NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24902 | 2k5h | 15836 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HN MET 1 3.446 40.394 38.459 2 HA MET 1 HA MET 1 2.196 40.172 41.000 3 HB2 MET 1 2HB MET 1 3.607 42.811 40.520 4 HB3 MET 1 3HB MET 1 2.275 42.598 41.681 5 HG2 MET 1 2HG MET 1 3.610 40.934 42.898 6 HG3 MET 1 3HG MET 1 4.938 41.157 41.747 7 HE1 MET 1 3HE MET 1 2.794 42.796 44.606 8 HE2 MET 1 1HE MET 1 3.454 44.446 44.664 9 HE3 MET 1 2HE MET 1 2.523 43.913 43.247 10 H GLY 2 HN GLY 2 0.244 41.596 41.178 11 HA2 GLY 2 1HA GLY 2 -0.989 43.261 39.579 12 HA3 GLY 2 2HA GLY 2 -0.888 41.885 38.457 13 H SER 3 HN SER 3 -2.112 40.057 38.789 14 HA SER 3 HA SER 3 -3.688 38.666 39.654 15 HB2 SER 3 2HB SER 3 -3.455 40.277 42.221 16 HB3 SER 3 3HB SER 3 -4.165 38.655 42.040 17 HG SER 3 HG SER 3 -1.987 38.594 42.792 18 H SER 4 HN SER 4 -5.707 38.664 38.996 19 HA SER 4 HA SER 4 -7.518 40.789 39.956 20 HB2 SER 4 2HB SER 4 -6.680 41.535 37.736 21 HB3 SER 4 3HB SER 4 -7.275 40.016 37.025 22 HG SER 4 HG SER 4 -8.768 41.749 36.797 23 H HIS 5 HN HIS 5 -9.277 39.849 40.786 24 HA HIS 5 HA HIS 5 -9.817 37.050 40.013 25 HB2 HIS 5 2HB HIS 5 -11.279 36.964 41.966 26 HB3 HIS 5 3HB HIS 5 -9.650 37.512 42.399 27 HD1 HIS 5 1HD HIS 5 -9.718 39.263 44.120 28 HD2 HIS 5 2HD HIS 5 -13.001 39.514 41.545 29 HE1 HIS 5 1HE HIS 5 -11.126 41.199 44.955 30 HE2 HIS 5 2HE HIS 5 -13.112 41.353 43.380 31 H HIS 6 HN HIS 6 -10.551 39.716 38.518 32 HA HIS 6 HA HIS 6 -13.451 39.641 38.522 33 HB2 HIS 6 2HB HIS 6 -11.941 41.641 37.960 34 HB3 HIS 6 3HB HIS 6 -11.701 40.867 36.382 35 HD1 HIS 6 1HD HIS 6 -14.025 42.981 38.285 36 HD2 HIS 6 2HD HIS 6 -14.181 40.590 34.862 37 HE1 HIS 6 1HE HIS 6 -16.142 43.639 37.059 38 HE2 HIS 6 2HE HIS 6 -16.237 42.176 34.990 39 H HIS 7 HN HIS 7 -14.501 37.924 37.760 40 HA HIS 7 HA HIS 7 -13.449 36.699 35.259 41 HB2 HIS 7 2HB HIS 7 -14.627 35.428 37.727 42 HB3 HIS 7 3HB HIS 7 -14.705 34.612 36.154 43 HD1 HIS 7 1HD HIS 7 -12.700 33.310 35.443 44 HD2 HIS 7 2HD HIS 7 -11.882 35.920 38.600 45 HE1 HIS 7 1HE HIS 7 -10.347 32.770 36.215 46 HE2 HIS 7 2HE HIS 7 -9.853 34.357 38.137 47 H HIS 8 HN HIS 8 -14.732 37.717 33.774 48 HA HIS 8 HA HIS 8 -17.606 36.959 34.005 49 HB2 HIS 8 2HB HIS 8 -17.217 39.440 34.098 50 HB3 HIS 8 3HB HIS 8 -16.513 39.339 32.473 51 HD1 HIS 8 1HD HIS 8 -18.135 39.825 30.644 52 HD2 HIS 8 2HD HIS 8 -20.015 38.275 34.041 53 HE1 HIS 8 1HE HIS 8 -20.617 39.784 30.127 54 HE2 HIS 8 2HE HIS 8 -21.752 38.831 32.186 55 H HIS 9 HN HIS 9 -14.628 36.732 32.338 56 HA HIS 9 HA HIS 9 -15.834 35.866 29.810 57 HB2 HIS 9 2HB HIS 9 -13.018 36.090 30.869 58 HB3 HIS 9 3HB HIS 9 -13.363 35.179 29.386 59 HD1 HIS 9 1HD HIS 9 -12.698 38.550 30.622 60 HD2 HIS 9 2HD HIS 9 -14.596 36.845 27.315 61 HE1 HIS 9 1HE HIS 9 -12.864 40.383 28.881 62 HE2 HIS 9 2HE HIS 9 -14.010 39.340 26.868 63 H HIS 10 HN HIS 10 -15.588 33.734 28.940 64 HA HIS 10 HA HIS 10 -15.646 31.712 31.113 65 HB2 HIS 10 2HB HIS 10 -16.966 30.334 29.686 66 HB3 HIS 10 3HB HIS 10 -17.663 31.964 29.649 67 HD1 HIS 10 1HD HIS 10 -17.478 33.302 27.407 68 HD2 HIS 10 2HD HIS 10 -16.014 29.394 27.250 69 HE1 HIS 10 1HE HIS 10 -17.246 32.730 24.948 70 HE2 HIS 10 2HE HIS 10 -16.353 30.355 24.860 71 H SER 11 HN SER 11 -14.633 29.627 30.740 72 HA SER 11 HA SER 11 -12.023 29.998 29.476 73 HB2 SER 11 2HB SER 11 -13.208 27.595 30.915 74 HB3 SER 11 3HB SER 11 -11.497 27.833 30.486 75 HG SER 11 HG SER 11 -11.959 28.421 32.662 76 H SER 12 HN SER 12 -11.153 27.956 28.284 77 HA SER 12 HA SER 12 -11.176 26.668 26.400 78 HB2 SER 12 2HB SER 12 -14.207 26.682 26.633 79 HB3 SER 12 3HB SER 12 -13.222 25.585 25.636 80 HG SER 12 HG SER 12 -13.835 24.649 27.647 81 H GLY 13 HN GLY 13 -12.262 26.645 24.032 82 HA2 GLY 13 1HA GLY 13 -12.913 27.929 22.183 83 HA3 GLY 13 2HA GLY 13 -13.042 29.362 23.229 84 H ARG 14 HN ARG 14 -10.210 27.502 23.619 85 HA ARG 14 HA ARG 14 -8.673 29.334 21.853 86 HB2 ARG 14 2HB ARG 14 -8.050 28.572 24.728 87 HB3 ARG 14 3HB ARG 14 -6.923 29.409 23.635 88 HG2 ARG 14 2HG ARG 14 -8.435 31.308 23.489 89 HG3 ARG 14 3HG ARG 14 -9.620 30.467 24.517 90 HD2 ARG 14 2HD ARG 14 -8.085 30.492 26.390 91 HD3 ARG 14 3HD ARG 14 -6.798 31.178 25.375 92 HE ARG 14 HE ARG 14 -8.830 32.996 25.136 93 HH11 ARG 14 2HH1 ARG 14 -7.176 31.557 27.908 94 HH12 ARG 14 1HH1 ARG 14 -7.405 32.962 28.922 95 HH21 ARG 14 2HH2 ARG 14 -9.114 34.805 26.461 96 HH22 ARG 14 1HH2 ARG 14 -8.503 34.803 28.101 97 H GLU 15 HN GLU 15 -7.927 27.984 20.318 98 HA GLU 15 HA GLU 15 -6.489 25.564 21.296 99 HB2 GLU 15 2HB GLU 15 -7.028 24.443 19.199 100 HB3 GLU 15 3HB GLU 15 -8.510 24.911 20.066 101 HG2 GLU 15 2HG GLU 15 -8.936 26.696 18.557 102 HG3 GLU 15 3HG GLU 15 -7.324 26.550 17.822 103 HE2 GLU 15 2HE GLU 15 -10.224 24.283 16.470 104 H ASN 16 HN ASN 16 -4.429 25.290 20.592 105 HA ASN 16 HA ASN 16 -3.427 26.687 18.255 106 HB2 ASN 16 2HB ASN 16 -3.442 28.485 20.007 107 HB3 ASN 16 3HB ASN 16 -2.320 27.494 20.964 108 HD21 ASN 16 1HD2 ASN 16 -0.785 29.212 20.867 109 HD22 ASN 16 2HD2 ASN 16 0.158 29.489 19.418 110 H LEU 17 HN LEU 17 -2.256 25.143 17.351 111 HA LEU 17 HA LEU 17 -1.366 22.904 18.961 112 HB2 LEU 17 2HB LEU 17 -1.161 23.527 16.009 113 HB3 LEU 17 3HB LEU 17 -0.530 22.035 16.747 114 HG LEU 17 HG LEU 17 -2.916 21.644 17.586 115 HD11 LEU 17 1HD1 LEU 17 -4.715 22.686 16.268 116 HD12 LEU 17 2HD1 LEU 17 -3.790 23.898 17.181 117 HD13 LEU 17 3HD1 LEU 17 -3.514 23.698 15.434 118 HD21 LEU 17 3HD2 LEU 17 -1.859 20.361 15.785 119 HD22 LEU 17 1HD2 LEU 17 -3.586 20.623 15.451 120 HD23 LEU 17 2HD2 LEU 17 -2.360 21.595 14.604 121 H TYR 18 HN TYR 18 0.319 23.289 20.248 122 HA TYR 18 HA TYR 18 2.800 24.379 19.050 123 HB2 TYR 18 2HB TYR 18 1.909 23.781 21.876 124 HB3 TYR 18 3HB TYR 18 3.617 24.034 21.479 125 HD1 TYR 18 1HD TYR 18 4.111 26.259 20.128 126 HD2 TYR 18 2HD TYR 18 0.659 25.628 22.545 127 HE1 TYR 18 1HE TYR 18 3.843 28.686 20.380 128 HE2 TYR 18 2HE TYR 18 0.379 28.056 22.780 129 HH TYR 18 HH TYR 18 1.189 30.117 22.276 130 H PHE 19 HN PHE 19 4.771 23.198 19.179 131 HA PHE 19 HA PHE 19 6.126 21.374 19.114 132 HB2 PHE 19 2HB PHE 19 5.504 21.142 21.470 133 HB3 PHE 19 3HB PHE 19 4.080 20.191 21.016 134 HD1 PHE 19 2HD PHE 19 7.805 20.188 20.728 135 HD2 PHE 19 1HD PHE 19 4.235 17.872 20.896 136 HE1 PHE 19 2HE PHE 19 9.144 18.135 20.847 137 HE2 PHE 19 1HE PHE 19 5.574 15.816 21.018 138 HZ PHE 19 HZ PHE 19 8.032 15.944 20.978 139 H GLN 20 HN GLN 20 6.069 20.717 17.033 140 HA GLN 20 HA GLN 20 3.891 19.373 15.795 141 HB2 GLN 20 2HB GLN 20 6.859 19.277 15.156 142 HB3 GLN 20 3HB GLN 20 5.555 18.710 14.086 143 HG2 GLN 20 2HG GLN 20 4.664 20.990 13.971 144 HG3 GLN 20 3HG GLN 20 5.970 21.553 15.036 145 HE21 GLN 20 1HE2 GLN 20 8.097 21.686 14.250 146 HE22 GLN 20 2HE2 GLN 20 8.454 21.628 12.536 147 H GLY 21 HN GLY 21 6.984 18.094 17.092 148 HA2 GLY 21 1HA GLY 21 6.589 16.002 18.495 149 HA3 GLY 21 2HA GLY 21 5.720 15.400 17.065 150 H HIS 22 HN HIS 22 8.644 15.439 18.676 151 HA HIS 22 HA HIS 22 9.948 14.104 16.439 152 HB2 HIS 22 2HB HIS 22 11.878 15.524 16.292 153 HB3 HIS 22 3HB HIS 22 10.429 16.499 15.984 154 HD1 HIS 22 1HD HIS 22 13.125 17.782 16.794 155 HD2 HIS 22 2HD HIS 22 10.075 16.828 19.484 156 HE1 HIS 22 1HE HIS 22 13.464 19.281 18.806 157 HE2 HIS 22 2HE HIS 22 11.616 18.692 20.444 158 H MET 23 HN MET 23 12.278 13.467 17.159 159 HA MET 23 HA MET 23 13.583 12.283 18.611 160 HB2 MET 23 2HB MET 23 12.198 13.990 20.703 161 HB3 MET 23 3HB MET 23 13.602 12.939 21.007 162 HG2 MET 23 2HG MET 23 14.954 14.264 19.476 163 HG3 MET 23 3HG MET 23 13.557 15.283 19.089 164 HE1 MET 23 3HE MET 23 16.125 14.198 21.864 165 HE2 MET 23 1HE MET 23 15.562 15.130 23.270 166 HE3 MET 23 2HE MET 23 14.559 13.813 22.619 167 H ALA 24 HN ALA 24 10.889 11.375 17.826 168 HA ALA 24 HA ALA 24 10.522 9.399 20.019 169 HB1 ALA 24 1HB ALA 24 8.102 9.411 19.561 170 HB2 ALA 24 2HB ALA 24 8.673 11.017 20.072 171 HB3 ALA 24 3HB ALA 24 8.337 10.697 18.354 172 H ALA 25 HN ALA 25 8.929 7.577 18.979 173 HA ALA 25 HA ALA 25 10.534 6.517 16.773 174 HB1 ALA 25 1HB ALA 25 9.229 4.461 17.121 175 HB2 ALA 25 2HB ALA 25 9.910 5.065 18.649 176 HB3 ALA 25 3HB ALA 25 8.188 5.320 18.280 177 H ARG 26 HN ARG 26 10.022 6.543 14.691 178 HA ARG 26 HA ARG 26 7.769 8.047 13.776 179 HB2 ARG 26 2HB ARG 26 9.903 7.849 12.533 180 HB3 ARG 26 3HB ARG 26 9.555 6.129 12.238 181 HG2 ARG 26 2HG ARG 26 7.378 6.956 11.144 182 HG3 ARG 26 3HG ARG 26 8.150 8.561 11.139 183 HD2 ARG 26 2HD ARG 26 8.558 7.541 9.010 184 HD3 ARG 26 3HD ARG 26 10.086 7.546 9.916 185 HE ARG 26 HE ARG 26 9.277 5.108 10.525 186 HH11 ARG 26 2HH1 ARG 26 8.937 6.775 7.442 187 HH12 ARG 26 1HH1 ARG 26 9.037 5.308 6.496 188 HH21 ARG 26 2HH2 ARG 26 9.430 3.206 9.287 189 HH22 ARG 26 1HH2 ARG 26 9.317 3.283 7.543 190 H ILE 27 HN ILE 27 5.726 7.398 13.842 191 HA ILE 27 HA ILE 27 5.153 4.521 13.422 192 HB ILE 27 HB ILE 27 3.306 6.750 14.371 193 HG12 ILE 27 2HG1 ILE 27 4.636 4.518 15.939 194 HG13 ILE 27 3HG1 ILE 27 5.156 6.221 15.940 195 HG21 ILE 27 1HG2 ILE 27 1.781 4.912 14.978 196 HG22 ILE 27 2HG2 ILE 27 2.125 4.918 13.233 197 HG23 ILE 27 3HG2 ILE 27 2.927 3.735 14.294 198 HD11 ILE 27 3HD1 ILE 27 2.475 5.178 16.888 199 HD12 ILE 27 1HD1 ILE 27 3.814 5.697 17.934 200 HD13 ILE 27 2HD1 ILE 27 2.997 6.880 16.890 201 H THR 28 HN THR 28 5.114 4.129 11.294 202 HA THR 28 HA THR 28 4.215 4.016 9.208 203 HB THR 28 HB THR 28 2.211 6.127 10.096 204 HG1 THR 28 1HG THR 28 0.886 4.268 10.477 205 HG21 THR 28 3HG2 THR 28 2.133 4.100 7.833 206 HG22 THR 28 1HG2 THR 28 0.819 5.214 8.274 207 HG23 THR 28 2HG2 THR 28 2.357 5.857 7.653 208 H GLY 29 HN GLY 29 4.032 7.490 10.215 209 HA2 GLY 29 1HA GLY 29 5.212 9.277 9.299 210 HA3 GLY 29 2HA GLY 29 6.003 8.160 8.164 211 H GLU 30 HN GLU 30 3.256 10.236 8.770 212 HA GLU 30 HA GLU 30 1.573 11.021 7.471 213 HB2 GLU 30 2HB GLU 30 3.484 10.253 5.262 214 HB3 GLU 30 3HB GLU 30 1.920 11.047 4.964 215 HG2 GLU 30 2HG GLU 30 2.695 12.897 6.489 216 HG3 GLU 30 3HG GLU 30 4.302 12.138 6.464 217 HE2 GLU 30 2HE GLU 30 3.043 14.036 3.213 218 HA PRO 31 HA PRO 31 -0.361 6.929 6.709 219 HB2 PRO 31 2HB PRO 31 -2.589 8.034 8.305 220 HB3 PRO 31 3HB PRO 31 -1.569 6.588 8.599 221 HG2 PRO 31 2HG PRO 31 -1.466 8.842 10.106 222 HG3 PRO 31 3HG PRO 31 -0.103 7.689 9.937 223 HD2 PRO 31 2HD PRO 31 -0.584 10.369 8.633 224 HD3 PRO 31 3HD PRO 31 0.946 9.624 9.187 225 H SER 32 HN SER 32 -0.373 7.952 4.540 226 HA SER 32 HA SER 32 -2.674 9.743 4.039 227 HB2 SER 32 2HB SER 32 -0.314 10.353 3.333 228 HB3 SER 32 3HB SER 32 -0.398 9.012 2.165 229 HG SER 32 HG SER 32 -0.998 11.033 1.245 230 H LYS 33 HN LYS 33 -2.950 9.266 1.305 231 HA LYS 33 HA LYS 33 -4.593 6.830 1.476 232 HB2 LYS 33 2HB LYS 33 -5.627 7.685 -0.583 233 HB3 LYS 33 3HB LYS 33 -5.634 8.905 0.713 234 HG2 LYS 33 2HG LYS 33 -3.577 9.900 -0.354 235 HG3 LYS 33 3HG LYS 33 -3.842 8.795 -1.724 236 HD2 LYS 33 2HD LYS 33 -5.793 10.888 -0.710 237 HD3 LYS 33 3HD LYS 33 -4.784 11.014 -2.171 238 HE2 LYS 33 2HE LYS 33 -5.925 9.078 -3.141 239 HE3 LYS 33 3HE LYS 33 -6.912 8.911 -1.672 240 HZ1 LYS 33 3HZ LYS 33 -6.911 11.233 -3.481 241 HZ2 LYS 33 1HZ LYS 33 -8.083 10.076 -3.402 242 HZ3 LYS 33 2HZ LYS 33 -7.827 11.077 -2.118 243 H LYS 34 HN LYS 34 -4.770 5.485 -0.510 244 HA LYS 34 HA LYS 34 -3.906 4.087 -2.080 245 HB2 LYS 34 2HB LYS 34 -3.299 6.305 -3.150 246 HB3 LYS 34 3HB LYS 34 -1.665 6.079 -2.482 247 HG2 LYS 34 2HG LYS 34 -1.462 3.968 -3.738 248 HG3 LYS 34 3HG LYS 34 -3.078 4.240 -4.433 249 HD2 LYS 34 2HD LYS 34 -1.434 4.948 -6.040 250 HD3 LYS 34 3HD LYS 34 -2.237 6.395 -5.385 251 HE2 LYS 34 2HE LYS 34 -0.342 6.795 -3.889 252 HE3 LYS 34 3HE LYS 34 0.453 5.317 -4.474 253 HZ1 LYS 34 3HZ LYS 34 -0.182 7.682 -6.109 254 HZ2 LYS 34 1HZ LYS 34 1.314 7.274 -5.550 255 HZ3 LYS 34 2HZ LYS 34 0.555 6.310 -6.651 256 H ALA 35 HN ALA 35 -2.990 4.141 0.800 257 HA ALA 35 HA ALA 35 -0.298 3.102 0.772 258 HB1 ALA 35 1HB ALA 35 -0.775 2.443 3.097 259 HB2 ALA 35 2HB ALA 35 -1.280 4.119 2.781 260 HB3 ALA 35 3HB ALA 35 -2.495 2.820 2.849 261 H VAL 36 HN VAL 36 0.425 1.093 0.459 262 HA VAL 36 HA VAL 36 -1.136 -0.807 -0.891 263 HB VAL 36 HB VAL 36 1.354 -1.392 0.753 264 HG11 VAL 36 1HG1 VAL 36 1.715 -3.193 -0.885 265 HG12 VAL 36 2HG1 VAL 36 0.163 -3.384 -0.038 266 HG13 VAL 36 3HG1 VAL 36 0.197 -2.753 -1.702 267 HG21 VAL 36 3HG2 VAL 36 1.746 0.521 -0.727 268 HG22 VAL 36 1HG2 VAL 36 2.641 -0.910 -1.288 269 HG23 VAL 36 2HG2 VAL 36 1.144 -0.419 -2.114 270 H SER 37 HN SER 37 -2.568 -2.235 -0.296 271 HA SER 37 HA SER 37 -2.984 -2.756 2.581 272 HB2 SER 37 2HB SER 37 -4.650 -3.622 0.192 273 HB3 SER 37 3HB SER 37 -5.128 -3.643 1.906 274 HG SER 37 HG SER 37 -5.939 -1.809 0.778 275 H ASP 38 HN ASP 38 -2.320 -4.566 3.530 276 HA ASP 38 HA ASP 38 -0.932 -6.574 1.929 277 HB2 ASP 38 2HB ASP 38 -0.330 -7.541 4.109 278 HB3 ASP 38 3HB ASP 38 0.020 -5.800 4.046 279 HD2 ASP 38 2HD ASP 38 -2.178 -7.030 6.948 280 H ARG 39 HN ARG 39 -4.121 -6.092 2.871 281 HA ARG 39 HA ARG 39 -4.896 -8.756 3.562 282 HB2 ARG 39 2HB ARG 39 -7.202 -7.951 2.976 283 HB3 ARG 39 3HB ARG 39 -6.333 -6.953 4.166 284 HG2 ARG 39 2HG ARG 39 -5.876 -5.267 2.526 285 HG3 ARG 39 3HG ARG 39 -6.494 -6.300 1.214 286 HD2 ARG 39 2HD ARG 39 -8.071 -4.500 1.969 287 HD3 ARG 39 3HD ARG 39 -8.730 -6.148 2.040 288 HE ARG 39 HE ARG 39 -7.634 -5.583 4.567 289 HH11 ARG 39 2HH1 ARG 39 -10.126 -4.230 2.486 290 HH12 ARG 39 1HH1 ARG 39 -11.171 -3.780 3.814 291 HH21 ARG 39 2HH2 ARG 39 -9.028 -5.051 6.295 292 HH22 ARG 39 1HH2 ARG 39 -10.548 -4.245 5.976 293 H LEU 40 HN LEU 40 -3.975 -7.388 0.530 294 HA LEU 40 HA LEU 40 -5.523 -9.447 -0.926 295 HB2 LEU 40 2HB LEU 40 -4.609 -8.244 -2.953 296 HB3 LEU 40 3HB LEU 40 -5.760 -7.350 -1.931 297 HG LEU 40 HG LEU 40 -3.647 -6.309 -0.859 298 HD11 LEU 40 1HD1 LEU 40 -1.715 -6.129 -2.370 299 HD12 LEU 40 2HD1 LEU 40 -2.012 -7.815 -1.888 300 HD13 LEU 40 3HD1 LEU 40 -2.500 -7.251 -3.504 301 HD21 LEU 40 3HD2 LEU 40 -5.281 -5.093 -2.227 302 HD22 LEU 40 1HD2 LEU 40 -3.627 -4.538 -2.570 303 HD23 LEU 40 2HD2 LEU 40 -4.451 -5.629 -3.707 304 H ILE 41 HN ILE 41 -2.679 -9.311 0.680 305 HA ILE 41 HA ILE 41 -1.018 -10.642 -1.317 306 HB ILE 41 HB ILE 41 -0.577 -10.242 1.670 307 HG12 ILE 41 2HG1 ILE 41 -0.691 -8.112 0.556 308 HG13 ILE 41 3HG1 ILE 41 1.012 -8.473 0.927 309 HG21 ILE 41 1HG2 ILE 41 1.781 -10.779 1.194 310 HG22 ILE 41 2HG2 ILE 41 0.710 -12.138 0.782 311 HG23 ILE 41 3HG2 ILE 41 1.365 -11.098 -0.506 312 HD11 ILE 41 3HD1 ILE 41 -0.329 -8.802 -1.770 313 HD12 ILE 41 1HD1 ILE 41 0.779 -7.490 -1.317 314 HD13 ILE 41 2HD1 ILE 41 1.374 -9.161 -1.397 315 H GLY 42 HN GLY 42 -1.052 -12.732 -1.772 316 HA2 GLY 42 1HA GLY 42 -0.978 -15.025 -1.025 317 HA3 GLY 42 2HA GLY 42 -2.028 -14.583 0.341 318 H ARG 43 HN ARG 43 -3.071 -12.970 -2.408 319 HA ARG 43 HA ARG 43 -5.047 -15.130 -2.940 320 HB2 ARG 43 2HB ARG 43 -5.323 -12.161 -2.700 321 HB3 ARG 43 3HB ARG 43 -6.382 -13.027 -3.840 322 HG2 ARG 43 2HG ARG 43 -7.023 -14.546 -1.937 323 HG3 ARG 43 3HG ARG 43 -6.138 -13.445 -0.853 324 HD2 ARG 43 2HD ARG 43 -7.652 -11.707 -1.164 325 HD3 ARG 43 3HD ARG 43 -8.240 -12.358 -2.710 326 HE ARG 43 HE ARG 43 -9.109 -14.278 -1.120 327 HH11 ARG 43 2HH1 ARG 43 -9.066 -10.816 -0.463 328 HH12 ARG 43 1HH1 ARG 43 -10.488 -10.869 0.553 329 HH21 ARG 43 2HH2 ARG 43 -10.969 -14.332 0.186 330 HH22 ARG 43 1HH2 ARG 43 -11.567 -12.862 0.921 331 H LYS 44 HN LYS 44 -6.175 -14.698 -5.153 332 HA LYS 44 HA LYS 44 -4.034 -15.026 -7.101 333 HB2 LYS 44 2HB LYS 44 -6.021 -16.510 -7.036 334 HB3 LYS 44 3HB LYS 44 -7.053 -15.116 -7.438 335 HG2 LYS 44 2HG LYS 44 -5.632 -14.862 -9.535 336 HG3 LYS 44 3HG LYS 44 -4.973 -16.471 -9.155 337 HD2 LYS 44 2HD LYS 44 -7.908 -15.821 -9.557 338 HD3 LYS 44 3HD LYS 44 -6.840 -16.567 -10.769 339 HE2 LYS 44 2HE LYS 44 -6.454 -18.461 -9.215 340 HE3 LYS 44 3HE LYS 44 -7.596 -17.726 -8.069 341 HZ1 LYS 44 3HZ LYS 44 -8.241 -18.603 -10.806 342 HZ2 LYS 44 1HZ LYS 44 -8.647 -19.400 -9.422 343 HZ3 LYS 44 2HZ LYS 44 -9.301 -17.921 -9.742 344 H GLY 45 HN GLY 45 -3.605 -13.795 -8.859 345 HA2 GLY 45 1HA GLY 45 -5.307 -11.407 -9.316 346 HA3 GLY 45 2HA GLY 45 -3.536 -11.262 -9.259 347 H VAL 46 HN VAL 46 -4.904 -10.494 -11.516 348 HA VAL 46 HA VAL 46 -4.333 -12.727 -13.403 349 HB VAL 46 HB VAL 46 -6.718 -12.070 -13.353 350 HG11 VAL 46 1HG1 VAL 46 -7.428 -9.861 -14.157 351 HG12 VAL 46 2HG1 VAL 46 -6.448 -9.737 -12.678 352 HG13 VAL 46 3HG1 VAL 46 -5.726 -9.354 -14.259 353 HG21 VAL 46 3HG2 VAL 46 -5.749 -12.920 -15.434 354 HG22 VAL 46 1HG2 VAL 46 -7.021 -11.723 -15.769 355 HG23 VAL 46 2HG2 VAL 46 -5.309 -11.264 -15.916 356 H VAL 47 HN VAL 47 -3.115 -12.308 -15.232 357 HA VAL 47 HA VAL 47 -1.379 -9.955 -14.984 358 HB VAL 47 HB VAL 47 -1.288 -12.217 -17.015 359 HG11 VAL 47 1HG1 VAL 47 1.050 -11.527 -17.330 360 HG12 VAL 47 2HG1 VAL 47 -0.077 -10.204 -17.707 361 HG13 VAL 47 3HG1 VAL 47 0.815 -10.203 -16.166 362 HG21 VAL 47 3HG2 VAL 47 -1.096 -13.085 -14.732 363 HG22 VAL 47 1HG2 VAL 47 0.455 -13.210 -15.593 364 HG23 VAL 47 2HG2 VAL 47 0.207 -11.921 -14.392 365 H MET 48 HN MET 48 -1.756 -8.109 -16.010 366 HA MET 48 HA MET 48 -3.563 -8.163 -18.366 367 HB2 MET 48 2HB MET 48 -2.720 -5.924 -16.502 368 HB3 MET 48 3HB MET 48 -3.723 -5.698 -17.956 369 HG2 MET 48 2HG MET 48 -4.583 -7.666 -15.867 370 HG3 MET 48 3HG MET 48 -4.804 -5.934 -15.567 371 HE1 MET 48 3HE MET 48 -5.895 -9.050 -17.711 372 HE2 MET 48 1HE MET 48 -6.866 -8.312 -19.003 373 HE3 MET 48 2HE MET 48 -5.110 -8.050 -18.958 374 H GLU 49 HN GLU 49 -0.327 -7.350 -17.272 375 HA GLU 49 HA GLU 49 0.374 -6.773 -20.114 376 HB2 GLU 49 2HB GLU 49 0.404 -4.697 -18.758 377 HB3 GLU 49 3HB GLU 49 1.560 -5.462 -17.642 378 HG2 GLU 49 2HG GLU 49 2.772 -4.016 -19.111 379 HG3 GLU 49 3HG GLU 49 3.151 -5.698 -19.544 380 HE2 GLU 49 2HE GLU 49 1.584 -3.377 -22.261 381 H ALA 50 HN ALA 50 2.238 -7.755 -20.867 382 HA ALA 50 HA ALA 50 2.964 -10.205 -19.719 383 HB1 ALA 50 1HB ALA 50 4.823 -10.213 -21.332 384 HB2 ALA 50 2HB ALA 50 3.316 -9.634 -22.080 385 HB3 ALA 50 3HB ALA 50 4.583 -8.473 -21.615 386 H ILE 51 HN ILE 51 4.367 -10.890 -18.236 387 HA ILE 51 HA ILE 51 5.973 -8.795 -16.874 388 HB ILE 51 HB ILE 51 5.032 -11.515 -15.873 389 HG12 ILE 51 2HG1 ILE 51 4.156 -8.717 -15.098 390 HG13 ILE 51 3HG1 ILE 51 3.240 -9.831 -16.140 391 HG21 ILE 51 1HG2 ILE 51 5.885 -10.783 -13.681 392 HG22 ILE 51 2HG2 ILE 51 7.186 -10.856 -14.891 393 HG23 ILE 51 3HG2 ILE 51 6.496 -9.285 -14.420 394 HD11 ILE 51 3HD1 ILE 51 3.965 -10.300 -13.237 395 HD12 ILE 51 1HD1 ILE 51 2.361 -9.834 -13.842 396 HD13 ILE 51 2HD1 ILE 51 3.047 -11.413 -14.279 397 H SER 52 HN SER 52 8.152 -8.892 -16.893 398 HA SER 52 HA SER 52 9.389 -11.493 -17.648 399 HB2 SER 52 2HB SER 52 11.146 -10.179 -18.850 400 HB3 SER 52 3HB SER 52 9.533 -10.059 -19.594 401 HG SER 52 HG SER 52 10.588 -8.023 -19.426 402 HA PRO 53 HA PRO 53 11.950 -10.822 -14.133 403 HB2 PRO 53 2HB PRO 53 14.368 -11.912 -14.898 404 HB3 PRO 53 3HB PRO 53 12.888 -12.880 -14.594 405 HG2 PRO 53 2HG PRO 53 14.101 -12.070 -17.164 406 HG3 PRO 53 3HG PRO 53 13.265 -13.597 -16.733 407 HD2 PRO 53 2HD PRO 53 12.177 -11.453 -18.171 408 HD3 PRO 53 3HD PRO 53 11.234 -12.707 -17.309 409 H GLN 54 HN GLN 54 12.768 -9.344 -17.135 410 HA GLN 54 HA GLN 54 14.955 -7.745 -15.966 411 HB2 GLN 54 2HB GLN 54 13.729 -7.767 -18.744 412 HB3 GLN 54 3HB GLN 54 15.120 -6.777 -18.242 413 HG2 GLN 54 2HG GLN 54 16.415 -8.793 -17.797 414 HG3 GLN 54 3HG GLN 54 15.020 -9.803 -18.235 415 HE21 GLN 54 1HE2 GLN 54 17.534 -7.638 -19.419 416 HE22 GLN 54 2HE2 GLN 54 17.359 -8.041 -21.114 417 H ASN 55 HN ASN 55 11.589 -7.490 -16.980 418 HA ASN 55 HA ASN 55 11.443 -4.842 -15.672 419 HB2 ASN 55 2HB ASN 55 11.844 -4.363 -18.048 420 HB3 ASN 55 3HB ASN 55 10.473 -5.400 -18.497 421 HD21 ASN 55 1HD2 ASN 55 11.429 -2.380 -16.900 422 HD22 ASN 55 2HD2 ASN 55 9.872 -1.592 -17.042 423 H SER 56 HN SER 56 9.765 -4.771 -14.353 424 HA SER 56 HA SER 56 8.065 -7.034 -14.037 425 HB2 SER 56 2HB SER 56 7.565 -4.242 -12.965 426 HB3 SER 56 3HB SER 56 7.042 -5.795 -12.269 427 HG SER 56 HG SER 56 8.890 -4.925 -11.215 428 H GLY 57 HN GLY 57 5.797 -7.202 -14.230 429 HA2 GLY 57 1HA GLY 57 4.771 -5.591 -16.509 430 HA3 GLY 57 2HA GLY 57 4.252 -7.238 -16.084 431 H LEU 58 HN LEU 58 2.071 -6.327 -16.227 432 HA LEU 58 HA LEU 58 1.376 -4.823 -13.750 433 HB2 LEU 58 2HB LEU 58 0.181 -4.607 -16.527 434 HB3 LEU 58 3HB LEU 58 -0.532 -3.880 -15.068 435 HG LEU 58 HG LEU 58 2.165 -3.212 -16.265 436 HD11 LEU 58 1HD1 LEU 58 1.127 -1.048 -16.810 437 HD12 LEU 58 2HD1 LEU 58 0.285 -2.394 -17.610 438 HD13 LEU 58 3HD1 LEU 58 -0.425 -1.632 -16.166 439 HD21 LEU 58 3HD2 LEU 58 2.147 -3.010 -13.820 440 HD22 LEU 58 1HD2 LEU 58 2.218 -1.408 -14.591 441 HD23 LEU 58 2HD2 LEU 58 0.685 -1.999 -13.909 442 H VAL 59 HN VAL 59 0.135 -5.925 -12.412 443 HA VAL 59 HA VAL 59 -1.740 -7.901 -13.607 444 HB VAL 59 HB VAL 59 -1.680 -9.106 -11.437 445 HG11 VAL 59 1HG1 VAL 59 0.522 -10.151 -11.745 446 HG12 VAL 59 2HG1 VAL 59 -0.281 -9.847 -13.303 447 HG13 VAL 59 3HG1 VAL 59 1.031 -8.777 -12.753 448 HG21 VAL 59 3HG2 VAL 59 -0.997 -7.246 -9.998 449 HG22 VAL 59 1HG2 VAL 59 0.103 -8.631 -9.811 450 HG23 VAL 59 2HG2 VAL 59 0.604 -7.223 -10.775 451 H LYS 60 HN LYS 60 -3.839 -8.001 -12.762 452 HA LYS 60 HA LYS 60 -4.614 -5.533 -11.308 453 HB2 LYS 60 2HB LYS 60 -5.725 -5.894 -13.449 454 HB3 LYS 60 3HB LYS 60 -6.272 -7.501 -12.914 455 HG2 LYS 60 2HG LYS 60 -7.711 -6.526 -11.251 456 HG3 LYS 60 3HG LYS 60 -7.057 -4.901 -11.570 457 HD2 LYS 60 2HD LYS 60 -7.966 -4.954 -13.832 458 HD3 LYS 60 3HD LYS 60 -8.566 -6.609 -13.572 459 HE2 LYS 60 2HE LYS 60 -9.418 -4.204 -11.933 460 HE3 LYS 60 3HE LYS 60 -10.310 -4.822 -13.340 461 HZ1 LYS 60 3HZ LYS 60 -9.741 -6.331 -10.875 462 HZ2 LYS 60 1HZ LYS 60 -11.196 -5.673 -11.283 463 HZ3 LYS 60 2HZ LYS 60 -10.569 -6.905 -12.181 464 H VAL 61 HN VAL 61 -4.398 -5.914 -9.190 465 HA VAL 61 HA VAL 61 -5.477 -8.449 -8.101 466 HB VAL 61 HB VAL 61 -3.910 -6.273 -6.667 467 HG11 VAL 61 1HG1 VAL 61 -3.576 -7.991 -4.939 468 HG12 VAL 61 2HG1 VAL 61 -5.303 -7.652 -5.194 469 HG13 VAL 61 3HG1 VAL 61 -4.574 -9.126 -5.876 470 HG21 VAL 61 3HG2 VAL 61 -2.560 -7.290 -8.443 471 HG22 VAL 61 1HG2 VAL 61 -1.974 -7.780 -6.837 472 HG23 VAL 61 2HG2 VAL 61 -2.941 -8.910 -7.812 473 H ASP 62 HN ASP 62 -7.472 -8.479 -7.368 474 HA ASP 62 HA ASP 62 -9.527 -7.806 -6.642 475 HB2 ASP 62 2HB ASP 62 -8.357 -6.963 -4.652 476 HB3 ASP 62 3HB ASP 62 -8.043 -5.422 -5.479 477 HD2 ASP 62 2HD ASP 62 -11.651 -6.073 -3.970 478 H GLY 63 HN GLY 63 -8.348 -4.475 -7.030 479 HA2 GLY 63 1HA GLY 63 -9.656 -4.341 -9.674 480 HA3 GLY 63 2HA GLY 63 -10.241 -3.260 -8.389 481 H GLU 64 HN GLU 64 -6.967 -3.875 -7.946 482 HA GLU 64 HA GLU 64 -6.349 -1.214 -9.123 483 HB2 GLU 64 2HB GLU 64 -4.803 -2.711 -6.992 484 HB3 GLU 64 3HB GLU 64 -4.643 -1.002 -7.464 485 HG2 GLU 64 2HG GLU 64 -6.921 -2.312 -5.973 486 HG3 GLU 64 3HG GLU 64 -5.781 -1.089 -5.373 487 HE2 GLU 64 2HE GLU 64 -7.468 1.431 -7.228 488 H THR 65 HN THR 65 -4.612 -0.950 -10.469 489 HA THR 65 HA THR 65 -3.410 -3.432 -11.511 490 HB THR 65 HB THR 65 -2.831 -0.631 -12.500 491 HG1 THR 65 1HG THR 65 -4.637 -0.942 -13.914 492 HG21 THR 65 3HG2 THR 65 -2.955 -3.345 -13.866 493 HG22 THR 65 1HG2 THR 65 -2.519 -1.809 -14.649 494 HG23 THR 65 2HG2 THR 65 -1.472 -2.487 -13.381 495 H TRP 66 HN TRP 66 -1.599 -4.152 -10.620 496 HA TRP 66 HA TRP 66 0.222 -2.161 -9.355 497 HB2 TRP 66 2HB TRP 66 -0.251 -5.083 -8.668 498 HB3 TRP 66 3HB TRP 66 0.989 -4.059 -7.930 499 HD1 TRP 66 1HD TRP 66 -2.735 -4.822 -7.791 500 HE1 TRP 66 1HE TRP 66 -3.803 -3.598 -5.818 501 HE3 TRP 66 3HE TRP 66 1.224 -1.844 -6.546 502 HZ2 TRP 66 2HZ TRP 66 -3.029 -1.590 -3.961 503 HZ3 TRP 66 3HZ TRP 66 0.985 -0.291 -4.651 504 HH2 TRP 66 2HH TRP 66 -1.115 -0.168 -3.377 505 H ARG 67 HN ARG 67 2.460 -2.390 -9.647 506 HA ARG 67 HA ARG 67 3.321 -3.867 -11.986 507 HB2 ARG 67 2HB ARG 67 4.781 -2.361 -9.813 508 HB3 ARG 67 3HB ARG 67 5.635 -3.281 -11.075 509 HG2 ARG 67 2HG ARG 67 5.623 -1.062 -11.827 510 HG3 ARG 67 3HG ARG 67 4.343 -1.875 -12.759 511 HD2 ARG 67 2HD ARG 67 2.645 -0.777 -11.647 512 HD3 ARG 67 3HD ARG 67 3.629 -0.500 -10.193 513 HE ARG 67 HE ARG 67 4.748 0.915 -12.399 514 HH11 ARG 67 2HH1 ARG 67 1.912 1.011 -10.290 515 HH12 ARG 67 1HH1 ARG 67 1.754 2.749 -10.391 516 HH21 ARG 67 2HH2 ARG 67 4.553 3.156 -12.492 517 HH22 ARG 67 1HH2 ARG 67 3.255 3.966 -11.643 518 H ALA 68 HN ALA 68 4.146 -5.868 -12.085 519 HA ALA 68 HA ALA 68 4.717 -7.225 -9.506 520 HB1 ALA 68 1HB ALA 68 3.534 -9.230 -10.304 521 HB2 ALA 68 2HB ALA 68 2.441 -7.831 -10.194 522 HB3 ALA 68 3HB ALA 68 3.056 -8.358 -11.779 523 H THR 69 HN THR 69 6.368 -8.640 -9.507 524 HA THR 69 HA THR 69 7.767 -8.995 -12.110 525 HB THR 69 HB THR 69 9.255 -9.208 -9.515 526 HG1 THR 69 1HG THR 69 9.572 -6.915 -9.567 527 HG21 THR 69 3HG2 THR 69 9.925 -8.043 -12.240 528 HG22 THR 69 1HG2 THR 69 11.061 -8.238 -10.886 529 HG23 THR 69 2HG2 THR 69 10.356 -9.672 -11.666 530 H SER 70 HN SER 70 9.044 -10.996 -12.263 531 HA SER 70 HA SER 70 8.436 -13.147 -10.395 532 HB2 SER 70 2HB SER 70 6.400 -12.957 -11.922 533 HB3 SER 70 3HB SER 70 7.476 -13.426 -13.260 534 HG SER 70 HG SER 70 6.393 -15.223 -12.319 535 H GLY 71 HN GLY 71 9.479 -15.231 -11.213 536 HA2 GLY 71 1HA GLY 71 12.096 -14.494 -12.330 537 HA3 GLY 71 2HA GLY 71 11.641 -16.050 -11.599 538 H THR 72 HN THR 72 9.120 -15.633 -13.476 539 HA THR 72 HA THR 72 10.462 -16.780 -15.880 540 HB THR 72 HB THR 72 7.607 -17.443 -15.230 541 HG1 THR 72 1HG THR 72 8.375 -19.178 -13.905 542 HG21 THR 72 3HG2 THR 72 9.928 -19.033 -16.383 543 HG22 THR 72 1HG2 THR 72 8.245 -19.594 -16.262 544 HG23 THR 72 2HG2 THR 72 8.650 -18.224 -17.321 545 H VAL 73 HN VAL 73 9.043 -16.571 -17.888 546 HA VAL 73 HA VAL 73 8.091 -13.799 -18.029 547 HB VAL 73 HB VAL 73 8.274 -15.902 -20.220 548 HG11 VAL 73 1HG1 VAL 73 8.145 -13.980 -21.753 549 HG12 VAL 73 2HG1 VAL 73 6.701 -14.087 -20.721 550 HG13 VAL 73 3HG1 VAL 73 7.964 -12.885 -20.363 551 HG21 VAL 73 3HG2 VAL 73 10.475 -15.431 -19.244 552 HG22 VAL 73 1HG2 VAL 73 10.353 -14.766 -20.890 553 HG23 VAL 73 2HG2 VAL 73 10.215 -13.687 -19.482 554 H LEU 74 HN LEU 74 6.027 -13.264 -17.746 555 HA LEU 74 HA LEU 74 4.010 -15.451 -17.973 556 HB2 LEU 74 2HB LEU 74 3.815 -12.871 -16.396 557 HB3 LEU 74 3HB LEU 74 2.710 -14.265 -16.335 558 HG LEU 74 HG LEU 74 5.584 -14.207 -15.380 559 HD11 LEU 74 1HD1 LEU 74 4.595 -14.445 -13.141 560 HD12 LEU 74 2HD1 LEU 74 4.049 -12.953 -13.940 561 HD13 LEU 74 3HD1 LEU 74 2.968 -14.365 -13.854 562 HD21 LEU 74 3HD2 LEU 74 4.958 -16.406 -16.267 563 HD22 LEU 74 1HD2 LEU 74 5.130 -16.459 -14.498 564 HD23 LEU 74 2HD2 LEU 74 3.511 -16.417 -15.232 565 H ASP 75 HN ASP 75 2.328 -15.230 -19.360 566 HA ASP 75 HA ASP 75 2.366 -12.789 -21.036 567 HB2 ASP 75 2HB ASP 75 2.429 -15.145 -22.011 568 HB3 ASP 75 3HB ASP 75 0.741 -15.307 -21.480 569 HD2 ASP 75 2HD ASP 75 1.519 -12.922 -24.568 570 H VAL 76 HN VAL 76 0.033 -12.278 -21.910 571 HA VAL 76 HA VAL 76 -1.359 -11.290 -19.558 572 HB VAL 76 HB VAL 76 -2.047 -11.021 -22.514 573 HG11 VAL 76 1HG1 VAL 76 -3.411 -9.093 -21.820 574 HG12 VAL 76 2HG1 VAL 76 -3.975 -10.598 -21.060 575 HG13 VAL 76 3HG1 VAL 76 -3.018 -9.429 -20.119 576 HG21 VAL 76 3HG2 VAL 76 0.167 -10.106 -21.982 577 HG22 VAL 76 1HG2 VAL 76 -0.987 -8.804 -22.355 578 HG23 VAL 76 2HG2 VAL 76 -0.541 -9.140 -20.665 579 H GLY 77 HN GLY 77 -3.373 -11.824 -18.797 580 HA2 GLY 77 1HA GLY 77 -5.493 -12.866 -18.954 581 HA3 GLY 77 2HA GLY 77 -4.890 -13.876 -20.287 582 H GLU 78 HN GLU 78 -2.425 -14.010 -18.219 583 HA GLU 78 HA GLU 78 -3.189 -16.610 -17.227 584 HB2 GLU 78 2HB GLU 78 -0.774 -14.834 -16.875 585 HB3 GLU 78 3HB GLU 78 -0.941 -16.407 -16.060 586 HG2 GLU 78 2HG GLU 78 -0.876 -15.881 -19.029 587 HG3 GLU 78 3HG GLU 78 0.381 -16.659 -18.044 588 HE2 GLU 78 2HE GLU 78 -2.247 -18.957 -19.600 589 H GLU 79 HN GLU 79 -2.770 -17.203 -14.959 590 HA GLU 79 HA GLU 79 -3.874 -15.129 -13.119 591 HB2 GLU 79 2HB GLU 79 -4.126 -18.149 -12.939 592 HB3 GLU 79 3HB GLU 79 -4.839 -16.956 -11.828 593 HG2 GLU 79 2HG GLU 79 -6.192 -16.075 -13.709 594 HG3 GLU 79 3HG GLU 79 -5.535 -17.360 -14.746 595 HE2 GLU 79 2HE GLU 79 -7.546 -19.777 -13.229 596 H VAL 80 HN VAL 80 -2.610 -14.572 -11.436 597 HA VAL 80 HA VAL 80 -0.347 -16.402 -10.810 598 HB VAL 80 HB VAL 80 1.010 -14.387 -10.252 599 HG11 VAL 80 1HG1 VAL 80 1.516 -13.751 -12.570 600 HG12 VAL 80 2HG1 VAL 80 1.259 -15.505 -12.415 601 HG13 VAL 80 3HG1 VAL 80 -0.020 -14.474 -13.102 602 HG21 VAL 80 3HG2 VAL 80 -0.824 -12.809 -9.846 603 HG22 VAL 80 1HG2 VAL 80 0.301 -12.175 -11.069 604 HG23 VAL 80 2HG2 VAL 80 -1.261 -12.863 -11.571 605 H SER 81 HN SER 81 0.451 -16.334 -8.656 606 HA SER 81 HA SER 81 -1.548 -15.326 -6.695 607 HB2 SER 81 2HB SER 81 0.649 -17.405 -6.364 608 HB3 SER 81 3HB SER 81 -0.540 -16.927 -5.128 609 HG SER 81 HG SER 81 -1.150 -18.832 -6.260 610 H VAL 82 HN VAL 82 -1.026 -13.636 -5.455 611 HA VAL 82 HA VAL 82 1.647 -12.484 -5.702 612 HB VAL 82 HB VAL 82 -0.656 -11.578 -3.938 613 HG11 VAL 82 1HG1 VAL 82 0.460 -9.387 -4.024 614 HG12 VAL 82 2HG1 VAL 82 1.524 -10.635 -3.337 615 HG13 VAL 82 3HG1 VAL 82 1.759 -10.090 -5.015 616 HG21 VAL 82 3HG2 VAL 82 -1.386 -11.701 -6.273 617 HG22 VAL 82 1HG2 VAL 82 -1.242 -10.010 -5.741 618 HG23 VAL 82 2HG2 VAL 82 0.018 -10.727 -6.771 619 H LYS 83 HN LYS 83 3.270 -13.277 -4.523 620 HA LYS 83 HA LYS 83 2.641 -14.726 -2.058 621 HB2 LYS 83 2HB LYS 83 5.109 -14.405 -3.760 622 HB3 LYS 83 3HB LYS 83 5.133 -15.228 -2.182 623 HG2 LYS 83 2HG LYS 83 3.335 -16.755 -3.057 624 HG3 LYS 83 3HG LYS 83 3.582 -16.017 -4.658 625 HD2 LYS 83 2HD LYS 83 5.970 -16.656 -4.547 626 HD3 LYS 83 3HD LYS 83 5.658 -17.463 -2.992 627 HE2 LYS 83 2HE LYS 83 4.419 -18.162 -5.671 628 HE3 LYS 83 3HE LYS 83 5.676 -19.082 -4.815 629 HZ1 LYS 83 3HZ LYS 83 2.937 -18.610 -3.842 630 HZ2 LYS 83 1HZ LYS 83 3.499 -20.023 -4.477 631 HZ3 LYS 83 2HZ LYS 83 4.103 -19.464 -3.049 632 H ALA 84 HN ALA 84 4.496 -11.837 -3.082 633 HA ALA 84 HA ALA 84 4.431 -10.862 -0.334 634 HB1 ALA 84 1HB ALA 84 6.876 -10.698 -0.075 635 HB2 ALA 84 2HB ALA 84 6.353 -12.391 -0.233 636 HB3 ALA 84 3HB ALA 84 7.096 -11.555 -1.618 637 H ILE 85 HN ILE 85 5.935 -8.804 -0.214 638 HA ILE 85 HA ILE 85 5.532 -7.275 -2.745 639 HB ILE 85 HB ILE 85 5.515 -6.099 0.060 640 HG12 ILE 85 2HG1 ILE 85 3.117 -6.814 -1.653 641 HG13 ILE 85 3HG1 ILE 85 3.645 -7.700 -0.203 642 HG21 ILE 85 1HG2 ILE 85 4.483 -4.168 -1.067 643 HG22 ILE 85 2HG2 ILE 85 6.067 -4.564 -1.776 644 HG23 ILE 85 3HG2 ILE 85 4.572 -5.030 -2.622 645 HD11 ILE 85 3HD1 ILE 85 2.729 -4.813 -0.289 646 HD12 ILE 85 1HD1 ILE 85 1.774 -6.186 0.311 647 HD13 ILE 85 2HD1 ILE 85 3.256 -5.701 1.161 648 H GLU 86 HN GLU 86 7.395 -6.522 -3.614 649 HA GLU 86 HA GLU 86 9.828 -6.754 -1.943 650 HB2 GLU 86 2HB GLU 86 11.038 -6.622 -4.079 651 HB3 GLU 86 3HB GLU 86 9.839 -7.937 -4.066 652 HG2 GLU 86 2HG GLU 86 8.300 -6.547 -5.369 653 HG3 GLU 86 3HG GLU 86 9.493 -5.230 -5.378 654 HE2 GLU 86 2HE GLU 86 11.555 -7.083 -7.614 655 H GLY 87 HN GLY 87 7.633 -4.461 -2.387 656 HA2 GLY 87 1HA GLY 87 8.689 -2.292 -1.376 657 HA3 GLY 87 2HA GLY 87 9.547 -2.267 -2.934 658 H VAL 88 HN VAL 88 8.628 -1.284 -4.584 659 HA VAL 88 HA VAL 88 5.792 -0.487 -4.336 660 HB VAL 88 HB VAL 88 6.227 0.961 -6.287 661 HG11 VAL 88 1HG1 VAL 88 7.741 2.548 -5.176 662 HG12 VAL 88 2HG1 VAL 88 6.597 1.821 -4.023 663 HG13 VAL 88 3HG1 VAL 88 8.285 1.258 -4.078 664 HG21 VAL 88 3HG2 VAL 88 7.911 -0.415 -7.413 665 HG22 VAL 88 1HG2 VAL 88 8.508 1.242 -7.161 666 HG23 VAL 88 2HG2 VAL 88 9.072 -0.075 -6.107 667 H LYS 89 HN LYS 89 7.461 -3.073 -5.355 668 HA LYS 89 HA LYS 89 5.533 -3.653 -7.554 669 HB2 LYS 89 2HB LYS 89 8.336 -4.750 -7.152 670 HB3 LYS 89 3HB LYS 89 7.226 -5.148 -8.485 671 HG2 LYS 89 2HG LYS 89 7.353 -2.886 -9.326 672 HG3 LYS 89 3HG LYS 89 8.341 -2.387 -7.933 673 HD2 LYS 89 2HD LYS 89 9.145 -4.489 -9.967 674 HD3 LYS 89 3HD LYS 89 9.668 -2.788 -10.001 675 HE2 LYS 89 2HE LYS 89 10.770 -3.057 -7.841 676 HE3 LYS 89 3HE LYS 89 10.190 -4.733 -7.730 677 HZ1 LYS 89 3HZ LYS 89 12.015 -3.684 -9.791 678 HZ2 LYS 89 1HZ LYS 89 12.452 -4.625 -8.509 679 HZ3 LYS 89 2HZ LYS 89 11.477 -5.240 -9.687 680 H LEU 90 HN LEU 90 4.878 -5.920 -7.702 681 HA LEU 90 HA LEU 90 4.874 -7.178 -5.010 682 HB2 LEU 90 2HB LEU 90 3.023 -7.612 -7.370 683 HB3 LEU 90 3HB LEU 90 2.904 -8.412 -5.785 684 HG LEU 90 HG LEU 90 2.520 -5.463 -6.349 685 HD11 LEU 90 1HD1 LEU 90 0.176 -5.912 -5.732 686 HD12 LEU 90 2HD1 LEU 90 0.674 -6.879 -7.140 687 HD13 LEU 90 3HD1 LEU 90 0.561 -7.638 -5.533 688 HD21 LEU 90 3HD2 LEU 90 3.539 -5.845 -4.147 689 HD22 LEU 90 1HD2 LEU 90 1.853 -5.304 -3.983 690 HD23 LEU 90 2HD2 LEU 90 2.261 -7.020 -3.754 691 H VAL 91 HN VAL 91 5.332 -9.341 -4.764 692 HA VAL 91 HA VAL 91 6.885 -10.544 -6.978 693 HB VAL 91 HB VAL 91 6.589 -11.437 -4.083 694 HG11 VAL 91 1HG1 VAL 91 8.535 -12.865 -4.551 695 HG12 VAL 91 2HG1 VAL 91 7.163 -13.263 -5.610 696 HG13 VAL 91 3HG1 VAL 91 8.530 -12.315 -6.242 697 HG21 VAL 91 3HG2 VAL 91 7.697 -9.257 -4.239 698 HG22 VAL 91 1HG2 VAL 91 8.848 -10.521 -3.750 699 HG23 VAL 91 2HG2 VAL 91 8.849 -9.919 -5.423 700 H VAL 92 HN VAL 92 5.659 -11.699 -8.356 701 HA VAL 92 HA VAL 92 3.546 -13.400 -7.143 702 HB VAL 92 HB VAL 92 2.141 -13.039 -9.116 703 HG11 VAL 92 1HG1 VAL 92 1.486 -10.707 -8.710 704 HG12 VAL 92 2HG1 VAL 92 1.838 -11.561 -7.191 705 HG13 VAL 92 3HG1 VAL 92 3.026 -10.422 -7.869 706 HG21 VAL 92 3HG2 VAL 92 3.904 -12.639 -10.766 707 HG22 VAL 92 1HG2 VAL 92 2.694 -11.336 -10.801 708 HG23 VAL 92 2HG2 VAL 92 4.265 -11.068 -10.011 709 H GLU 93 HN GLU 93 3.086 -15.364 -8.180 710 HA GLU 93 HA GLU 93 4.856 -16.083 -10.443 711 HB2 GLU 93 2HB GLU 93 4.356 -17.810 -8.006 712 HB3 GLU 93 3HB GLU 93 5.110 -18.369 -9.518 713 HG2 GLU 93 2HG GLU 93 6.901 -16.656 -9.170 714 HG3 GLU 93 3HG GLU 93 6.185 -16.304 -7.582 715 HE2 GLU 93 2HE GLU 93 7.827 -18.968 -6.191 716 H LYS 94 HN LYS 94 3.998 -17.900 -11.689 717 HA LYS 94 HA LYS 94 1.159 -17.307 -12.032 718 HB2 LYS 94 2HB LYS 94 3.076 -17.510 -13.828 719 HB3 LYS 94 3HB LYS 94 2.686 -19.245 -13.743 720 HG2 LYS 94 2HG LYS 94 0.316 -18.686 -14.256 721 HG3 LYS 94 3HG LYS 94 0.800 -16.986 -14.465 722 HD2 LYS 94 2HD LYS 94 0.793 -17.839 -16.641 723 HD3 LYS 94 3HD LYS 94 2.508 -17.890 -16.167 724 HE2 LYS 94 2HE LYS 94 1.902 -19.956 -17.278 725 HE3 LYS 94 3HE LYS 94 2.245 -20.272 -15.564 726 HZ1 LYS 94 3HZ LYS 94 -0.433 -19.993 -16.751 727 HZ2 LYS 94 1HZ LYS 94 0.274 -21.411 -16.300 728 HZ3 LYS 94 2HZ LYS 94 -0.114 -20.286 -15.160 729 H LEU 95 HN LEU 95 -0.521 -18.661 -11.804 730 HA LEU 95 HA LEU 95 -0.378 -21.013 -10.252 731 HB2 LEU 95 2HB LEU 95 -2.361 -19.740 -12.083 732 HB3 LEU 95 3HB LEU 95 -2.612 -21.447 -11.646 733 HG LEU 95 HG LEU 95 -2.565 -20.774 -9.246 734 HD11 LEU 95 1HD1 LEU 95 -2.871 -18.403 -8.675 735 HD12 LEU 95 2HD1 LEU 95 -1.308 -18.686 -9.475 736 HD13 LEU 95 3HD1 LEU 95 -2.658 -17.966 -10.386 737 HD21 LEU 95 3HD2 LEU 95 -4.668 -21.121 -10.463 738 HD22 LEU 95 1HD2 LEU 95 -4.837 -19.826 -9.255 739 HD23 LEU 95 2HD2 LEU 95 -4.658 -19.417 -10.977 740 H GLU 96 HN GLU 96 -0.462 -23.219 -10.825 741 HA GLU 96 HA GLU 96 0.935 -23.712 -13.385 742 HB2 GLU 96 2HB GLU 96 1.587 -25.863 -12.378 743 HB3 GLU 96 3HB GLU 96 2.105 -24.467 -11.403 744 HG2 GLU 96 2HG GLU 96 -0.399 -26.039 -10.796 745 HG3 GLU 96 3HG GLU 96 1.197 -26.492 -10.159 746 HE2 GLU 96 2HE GLU 96 1.141 -23.926 -7.836 747 H GLU 97 HN GLU 97 0.159 -24.974 -14.963 748 HA GLU 97 HA GLU 97 -2.619 -25.887 -14.754 749 HB2 GLU 97 2HB GLU 97 -0.737 -26.367 -17.071 750 HB3 GLU 97 3HB GLU 97 -2.514 -26.269 -17.081 751 HG2 GLU 97 2HG GLU 97 -1.910 -24.272 -18.059 752 HG3 GLU 97 3HG GLU 97 -2.131 -23.801 -16.360 753 HE2 GLU 97 2HE GLU 97 1.131 -22.753 -16.161 754 H GLN 98 HN GLN 98 -2.939 -28.142 -15.966 755 HA GLN 98 HA GLN 98 -0.836 -30.050 -15.160 756 HB2 GLN 98 2HB GLN 98 -2.427 -31.590 -14.166 757 HB3 GLN 98 3HB GLN 98 -2.427 -30.036 -13.298 758 HG2 GLN 98 2HG GLN 98 -4.514 -30.898 -15.320 759 HG3 GLN 98 3HG GLN 98 -4.680 -31.039 -13.557 760 HE21 GLN 98 1HE2 GLN 98 -4.865 -29.130 -12.281 761 HE22 GLN 98 2HE2 GLN 98 -5.393 -27.622 -12.997 762 H LYS 99 HN LYS 99 -0.360 -31.381 -16.784 763 HA LYS 99 HA LYS 99 -2.201 -31.402 -19.077 764 HB2 LYS 99 2HB LYS 99 -0.150 -32.818 -20.016 765 HB3 LYS 99 3HB LYS 99 -0.173 -31.039 -19.999 766 HG2 LYS 99 2HG LYS 99 1.976 -31.653 -19.264 767 HG3 LYS 99 3HG LYS 99 1.089 -31.181 -17.795 768 HD2 LYS 99 2HD LYS 99 0.730 -33.497 -17.204 769 HD3 LYS 99 3HD LYS 99 1.451 -34.039 -18.739 770 HE2 LYS 99 2HE LYS 99 2.899 -32.495 -16.565 771 HE3 LYS 99 3HE LYS 99 3.005 -34.250 -16.824 772 HZ1 LYS 99 3HZ LYS 99 3.817 -32.181 -18.754 773 HZ2 LYS 99 1HZ LYS 99 4.839 -33.090 -17.835 774 HZ3 LYS 99 2HZ LYS 99 3.916 -33.810 -18.995 775 H GLY 100 HN GLY 100 -3.872 -32.701 -18.316 776 HA2 GLY 100 1HA GLY 100 -3.261 -35.458 -17.549 777 HA3 GLY 100 2HA GLY 100 -4.870 -34.719 -17.714 778 H SER 101 HN SER 101 -2.061 -35.845 -19.616 779 HA SER 101 HA SER 101 -3.973 -36.958 -21.582 780 HB2 SER 101 2HB SER 101 -1.557 -35.271 -22.341 781 HB3 SER 101 3HB SER 101 -2.674 -36.085 -23.462 782 HG SER 101 HG SER 101 -3.183 -33.861 -23.158 Start of MODEL 2 1 H1 MET 1 HN MET 1 7.817 -22.543 51.721 2 HA MET 1 HA MET 1 10.236 -23.975 52.149 3 HB2 MET 1 2HB MET 1 9.476 -22.128 54.439 4 HB3 MET 1 3HB MET 1 10.686 -23.431 54.516 5 HG2 MET 1 2HG MET 1 12.025 -22.273 52.809 6 HG3 MET 1 3HG MET 1 10.827 -20.970 52.756 7 HE1 MET 1 3HE MET 1 12.750 -19.195 53.206 8 HE2 MET 1 1HE MET 1 13.895 -19.294 54.563 9 HE3 MET 1 2HE MET 1 13.949 -20.509 53.265 10 H GLY 2 HN GLY 2 9.970 -25.745 53.668 11 HA2 GLY 2 1HA GLY 2 8.595 -27.058 55.106 12 HA3 GLY 2 2HA GLY 2 7.172 -26.139 54.562 13 H SER 3 HN SER 3 7.313 -28.969 54.684 14 HA SER 3 HA SER 3 7.920 -30.173 52.197 15 HB2 SER 3 2HB SER 3 5.868 -30.909 54.315 16 HB3 SER 3 3HB SER 3 6.320 -31.952 52.945 17 HG SER 3 HG SER 3 7.495 -32.441 54.862 18 H SER 4 HN SER 4 7.101 -29.751 50.269 19 HA SER 4 HA SER 4 4.393 -28.661 50.007 20 HB2 SER 4 2HB SER 4 6.371 -29.495 47.853 21 HB3 SER 4 3HB SER 4 4.919 -28.485 47.648 22 HG SER 4 HG SER 4 6.849 -27.243 47.823 23 H HIS 5 HN HIS 5 3.221 -30.407 50.907 24 HA HIS 5 HA HIS 5 3.475 -33.073 49.766 25 HB2 HIS 5 2HB HIS 5 2.934 -32.601 52.168 26 HB3 HIS 5 3HB HIS 5 1.369 -31.953 51.643 27 HD1 HIS 5 1HD HIS 5 -0.501 -33.590 51.281 28 HD2 HIS 5 2HD HIS 5 3.226 -35.436 51.675 29 HE1 HIS 5 1HE HIS 5 -0.957 -36.080 51.449 30 HE2 HIS 5 2HE HIS 5 1.313 -37.194 51.686 31 H HIS 6 HN HIS 6 1.479 -30.221 49.333 32 HA HIS 6 HA HIS 6 -0.497 -31.608 47.701 33 HB2 HIS 6 2HB HIS 6 -1.072 -29.586 48.997 34 HB3 HIS 6 3HB HIS 6 0.083 -28.643 48.036 35 HD1 HIS 6 1HD HIS 6 -0.784 -27.585 45.952 36 HD2 HIS 6 2HD HIS 6 -3.303 -30.604 47.366 37 HE1 HIS 6 1HE HIS 6 -2.857 -27.511 44.497 38 HE2 HIS 6 2HE HIS 6 -4.384 -29.349 45.358 39 H HIS 7 HN HIS 7 0.705 -32.665 46.112 40 HA HIS 7 HA HIS 7 1.437 -30.944 43.863 41 HB2 HIS 7 2HB HIS 7 3.674 -31.766 43.580 42 HB3 HIS 7 3HB HIS 7 3.535 -31.094 45.215 43 HD1 HIS 7 1HD HIS 7 4.848 -33.934 43.471 44 HD2 HIS 7 2HD HIS 7 3.029 -33.350 47.186 45 HE1 HIS 7 1HE HIS 7 5.463 -35.947 44.880 46 HE2 HIS 7 2HE HIS 7 4.365 -35.582 47.141 47 H HIS 8 HN HIS 8 1.362 -31.999 41.897 48 HA HIS 8 HA HIS 8 0.832 -34.921 41.945 49 HB2 HIS 8 2HB HIS 8 -0.801 -32.807 40.498 50 HB3 HIS 8 3HB HIS 8 -0.865 -34.537 40.112 51 HD1 HIS 8 1HD HIS 8 -2.467 -35.937 41.435 52 HD2 HIS 8 2HD HIS 8 -1.715 -32.237 43.229 53 HE1 HIS 8 1HE HIS 8 -4.049 -35.771 43.407 54 HE2 HIS 8 2HE HIS 8 -3.582 -33.527 44.491 55 H HIS 9 HN HIS 9 1.046 -35.833 39.653 56 HA HIS 9 HA HIS 9 3.438 -34.555 38.489 57 HB2 HIS 9 2HB HIS 9 2.232 -37.307 38.280 58 HB3 HIS 9 3HB HIS 9 3.434 -36.743 37.105 59 HD1 HIS 9 1HD HIS 9 3.539 -38.946 39.651 60 HD2 HIS 9 2HD HIS 9 5.548 -35.320 39.132 61 HE1 HIS 9 1HE HIS 9 5.617 -39.075 41.097 62 HE2 HIS 9 2HE HIS 9 6.836 -36.872 40.775 63 H HIS 10 HN HIS 10 2.735 -32.884 37.283 64 HA HIS 10 HA HIS 10 0.549 -33.282 35.374 65 HB2 HIS 10 2HB HIS 10 2.273 -30.933 36.163 66 HB3 HIS 10 3HB HIS 10 1.234 -30.876 34.728 67 HD1 HIS 10 1HD HIS 10 -0.827 -29.620 35.255 68 HD2 HIS 10 2HD HIS 10 0.420 -31.983 38.469 69 HE1 HIS 10 1HE HIS 10 -2.550 -29.291 37.087 70 HE2 HIS 10 2HE HIS 10 -1.786 -30.728 39.035 71 H SER 11 HN SER 11 0.934 -34.315 33.565 72 HA SER 11 HA SER 11 3.399 -33.606 32.055 73 HB2 SER 11 2HB SER 11 2.149 -36.372 32.247 74 HB3 SER 11 3HB SER 11 3.595 -35.921 31.311 75 HG SER 11 HG SER 11 4.110 -36.867 33.346 76 H SER 12 HN SER 12 0.716 -32.509 31.981 77 HA SER 12 HA SER 12 -0.571 -33.619 29.614 78 HB2 SER 12 2HB SER 12 -2.030 -31.549 29.898 79 HB3 SER 12 3HB SER 12 -2.025 -32.698 31.257 80 HG SER 12 HG SER 12 -1.788 -30.512 31.940 81 H GLY 13 HN GLY 13 1.911 -31.309 30.331 82 HA2 GLY 13 1HA GLY 13 3.377 -30.508 28.664 83 HA3 GLY 13 2HA GLY 13 2.119 -30.773 27.436 84 H ARG 14 HN ARG 14 3.069 -28.544 26.884 85 HA ARG 14 HA ARG 14 1.310 -26.542 28.202 86 HB2 ARG 14 2HB ARG 14 3.555 -26.155 29.027 87 HB3 ARG 14 3HB ARG 14 4.208 -26.193 27.371 88 HG2 ARG 14 2HG ARG 14 2.967 -24.164 26.820 89 HG3 ARG 14 3HG ARG 14 2.270 -24.133 28.458 90 HD2 ARG 14 2HD ARG 14 5.235 -23.999 27.842 91 HD3 ARG 14 3HD ARG 14 4.202 -22.584 28.145 92 HE ARG 14 HE ARG 14 3.799 -24.231 30.328 93 HH11 ARG 14 2HH1 ARG 14 6.602 -22.761 28.775 94 HH12 ARG 14 1HH1 ARG 14 7.500 -22.597 30.266 95 HH21 ARG 14 2HH2 ARG 14 4.970 -24.000 32.270 96 HH22 ARG 14 1HH2 ARG 14 6.574 -23.300 32.249 97 H GLU 15 HN GLU 15 -0.211 -26.321 26.666 98 HA GLU 15 HA GLU 15 0.702 -25.190 24.086 99 HB2 GLU 15 2HB GLU 15 0.165 -27.757 24.008 100 HB3 GLU 15 3HB GLU 15 -1.527 -27.212 24.106 101 HG2 GLU 15 2HG GLU 15 0.454 -26.334 21.993 102 HG3 GLU 15 3HG GLU 15 -0.729 -27.645 21.794 103 HE2 GLU 15 2HE GLU 15 -1.949 -23.919 21.429 104 H ASN 16 HN ASN 16 -0.146 -23.198 24.241 105 HA ASN 16 HA ASN 16 -2.992 -22.969 25.075 106 HB2 ASN 16 2HB ASN 16 -0.706 -21.244 26.100 107 HB3 ASN 16 3HB ASN 16 -2.432 -20.982 26.430 108 HD21 ASN 16 1HD2 ASN 16 0.404 -22.925 27.120 109 HD22 ASN 16 2HD2 ASN 16 -0.258 -23.761 28.508 110 H LEU 17 HN LEU 17 -1.703 -22.916 22.447 111 HA LEU 17 HA LEU 17 -1.497 -20.121 21.699 112 HB2 LEU 17 2HB LEU 17 -1.613 -22.651 20.042 113 HB3 LEU 17 3HB LEU 17 -1.350 -21.019 19.382 114 HG LEU 17 HG LEU 17 0.459 -22.481 21.324 115 HD11 LEU 17 1HD1 LEU 17 2.037 -22.563 19.442 116 HD12 LEU 17 2HD1 LEU 17 0.522 -23.412 19.061 117 HD13 LEU 17 3HD1 LEU 17 0.826 -21.790 18.395 118 HD21 LEU 17 3HD2 LEU 17 0.479 -20.057 21.692 119 HD22 LEU 17 1HD2 LEU 17 2.013 -20.603 20.980 120 HD23 LEU 17 2HD2 LEU 17 0.803 -19.790 19.961 121 H TYR 18 HN TYR 18 -3.771 -19.919 22.828 122 HA TYR 18 HA TYR 18 -5.950 -20.283 20.899 123 HB2 TYR 18 2HB TYR 18 -6.394 -20.433 23.316 124 HB3 TYR 18 3HB TYR 18 -5.823 -18.769 23.530 125 HD1 TYR 18 2HD TYR 18 -8.316 -20.651 21.445 126 HD2 TYR 18 1HD TYR 18 -7.452 -17.108 23.650 127 HE1 TYR 18 2HE TYR 18 -10.583 -19.823 20.999 128 HE2 TYR 18 1HE TYR 18 -9.721 -16.279 23.202 129 HH TYR 18 HH TYR 18 -12.083 -18.148 21.300 130 H PHE 19 HN PHE 19 -5.743 -19.082 19.105 131 HA PHE 19 HA PHE 19 -4.490 -16.411 19.384 132 HB2 PHE 19 2HB PHE 19 -3.511 -18.139 17.851 133 HB3 PHE 19 3HB PHE 19 -5.001 -18.071 16.895 134 HD1 PHE 19 1HD PHE 19 -2.599 -15.598 18.364 135 HD2 PHE 19 2HD PHE 19 -4.821 -16.862 14.958 136 HE1 PHE 19 1HE PHE 19 -1.660 -13.737 17.065 137 HE2 PHE 19 2HE PHE 19 -3.892 -15.000 13.660 138 HZ PHE 19 HZ PHE 19 -2.308 -13.434 14.707 139 H GLN 20 HN GLN 20 -5.642 -14.620 19.214 140 HA GLN 20 HA GLN 20 -8.458 -14.699 18.621 141 HB2 GLN 20 2HB GLN 20 -8.277 -12.211 18.735 142 HB3 GLN 20 3HB GLN 20 -7.647 -13.061 20.166 143 HG2 GLN 20 2HG GLN 20 -5.355 -12.769 19.307 144 HG3 GLN 20 3HG GLN 20 -6.004 -11.879 17.914 145 HE21 GLN 20 1HE2 GLN 20 -6.803 -9.777 18.180 146 HE22 GLN 20 2HE2 GLN 20 -6.493 -8.846 19.630 147 H GLY 21 HN GLY 21 -9.530 -14.417 16.755 148 HA2 GLY 21 1HA GLY 21 -7.880 -14.285 14.335 149 HA3 GLY 21 2HA GLY 21 -9.618 -14.649 14.431 150 H HIS 22 HN HIS 22 -7.284 -12.346 13.608 151 HA HIS 22 HA HIS 22 -9.155 -10.081 13.833 152 HB2 HIS 22 2HB HIS 22 -6.681 -9.852 14.278 153 HB3 HIS 22 3HB HIS 22 -6.405 -10.161 12.554 154 HD1 HIS 22 1HD HIS 22 -6.558 -8.187 10.997 155 HD2 HIS 22 2HD HIS 22 -8.185 -7.400 14.767 156 HE1 HIS 22 1HE HIS 22 -7.093 -5.710 11.035 157 HE2 HIS 22 2HE HIS 22 -8.085 -5.243 13.322 158 H MET 23 HN MET 23 -10.737 -10.024 12.378 159 HA MET 23 HA MET 23 -10.331 -11.259 9.750 160 HB2 MET 23 2HB MET 23 -12.736 -9.961 11.062 161 HB3 MET 23 3HB MET 23 -12.744 -10.669 9.429 162 HG2 MET 23 2HG MET 23 -12.177 -12.859 10.366 163 HG3 MET 23 3HG MET 23 -12.129 -12.162 11.995 164 HE1 MET 23 3HE MET 23 -14.586 -10.151 11.977 165 HE2 MET 23 1HE MET 23 -15.882 -11.191 12.608 166 HE3 MET 23 2HE MET 23 -14.252 -11.284 13.308 167 H ALA 24 HN ALA 24 -11.514 -9.966 7.891 168 HA ALA 24 HA ALA 24 -9.837 -7.660 7.465 169 HB1 ALA 24 1HB ALA 24 -10.946 -7.543 5.277 170 HB2 ALA 24 2HB ALA 24 -10.415 -9.199 5.651 171 HB3 ALA 24 3HB ALA 24 -12.132 -8.755 5.814 172 H ALA 25 HN ALA 25 -10.391 -6.194 9.076 173 HA ALA 25 HA ALA 25 -13.153 -5.189 9.132 174 HB1 ALA 25 1HB ALA 25 -12.375 -3.865 11.058 175 HB2 ALA 25 2HB ALA 25 -11.975 -5.588 11.252 176 HB3 ALA 25 3HB ALA 25 -10.712 -4.429 10.771 177 H ARG 26 HN ARG 26 -11.957 -4.734 6.661 178 HA ARG 26 HA ARG 26 -10.851 -2.040 6.676 179 HB2 ARG 26 2HB ARG 26 -10.933 -2.260 4.191 180 HB3 ARG 26 3HB ARG 26 -9.991 -3.523 5.017 181 HG2 ARG 26 2HG ARG 26 -11.739 -5.139 4.673 182 HG3 ARG 26 3HG ARG 26 -12.834 -3.890 4.035 183 HD2 ARG 26 2HD ARG 26 -11.296 -3.504 2.151 184 HD3 ARG 26 3HD ARG 26 -10.201 -4.751 2.789 185 HE ARG 26 HE ARG 26 -12.282 -6.282 2.485 186 HH11 ARG 26 2HH1 ARG 26 -11.410 -3.566 0.417 187 HH12 ARG 26 1HH1 ARG 26 -12.133 -4.259 -1.017 188 HH21 ARG 26 2HH2 ARG 26 -13.208 -7.186 0.594 189 HH22 ARG 26 1HH2 ARG 26 -13.150 -6.306 -0.917 190 H ILE 27 HN ILE 27 -12.581 -0.977 7.785 191 HA ILE 27 HA ILE 27 -14.944 -0.503 6.040 192 HB ILE 27 HB ILE 27 -14.701 0.043 9.023 193 HG12 ILE 27 2HG1 ILE 27 -16.142 -2.214 7.591 194 HG13 ILE 27 3HG1 ILE 27 -14.611 -2.377 8.485 195 HG21 ILE 27 1HG2 ILE 27 -17.147 0.332 8.903 196 HG22 ILE 27 2HG2 ILE 27 -16.305 1.485 7.840 197 HG23 ILE 27 3HG2 ILE 27 -17.093 0.047 7.148 198 HD11 ILE 27 3HD1 ILE 27 -17.277 -1.548 9.662 199 HD12 ILE 27 1HD1 ILE 27 -16.519 -3.144 9.839 200 HD13 ILE 27 2HD1 ILE 27 -15.746 -1.713 10.554 201 H THR 28 HN THR 28 -13.774 0.982 4.754 202 HA THR 28 HA THR 28 -13.504 3.634 6.069 203 HB THR 28 HB THR 28 -11.657 4.036 4.285 204 HG1 THR 28 1HG THR 28 -10.534 2.088 3.738 205 HG21 THR 28 3HG2 THR 28 -11.120 2.164 6.618 206 HG22 THR 28 1HG2 THR 28 -9.906 3.169 5.793 207 HG23 THR 28 2HG2 THR 28 -11.224 3.939 6.704 208 H GLY 29 HN GLY 29 -15.473 2.001 4.283 209 HA2 GLY 29 1HA GLY 29 -17.107 2.911 2.840 210 HA3 GLY 29 2HA GLY 29 -15.982 4.215 2.398 211 H GLU 30 HN GLU 30 -14.450 3.897 0.818 212 HA GLU 30 HA GLU 30 -14.227 1.245 -0.443 213 HB2 GLU 30 2HB GLU 30 -15.237 3.716 -1.876 214 HB3 GLU 30 3HB GLU 30 -14.520 2.324 -2.723 215 HG2 GLU 30 2HG GLU 30 -16.260 0.867 -1.752 216 HG3 GLU 30 3HG GLU 30 -16.992 2.288 -0.974 217 HE2 GLU 30 2HE GLU 30 -17.970 1.512 -4.639 218 HA PRO 31 HA PRO 31 -9.990 2.281 -0.927 219 HB2 PRO 31 2HB PRO 31 -10.202 1.609 -3.863 220 HB3 PRO 31 3HB PRO 31 -9.127 0.953 -2.587 221 HG2 PRO 31 2HG PRO 31 -11.209 -0.420 -3.513 222 HG3 PRO 31 3HG PRO 31 -10.671 -0.547 -1.806 223 HD2 PRO 31 2HD PRO 31 -13.031 0.865 -3.024 224 HD3 PRO 31 3HD PRO 31 -12.857 0.102 -1.414 225 H SER 32 HN SER 32 -10.397 4.553 -0.605 226 HA SER 32 HA SER 32 -9.860 6.096 -3.101 227 HB2 SER 32 2HB SER 32 -11.053 7.074 -0.476 228 HB3 SER 32 3HB SER 32 -10.772 8.052 -1.937 229 HG SER 32 HG SER 32 -12.943 7.307 -1.769 230 H LYS 33 HN LYS 33 -8.438 4.644 -0.556 231 HA LYS 33 HA LYS 33 -6.355 6.761 -0.274 232 HB2 LYS 33 2HB LYS 33 -7.303 4.677 1.724 233 HB3 LYS 33 3HB LYS 33 -5.867 5.706 1.945 234 HG2 LYS 33 2HG LYS 33 -8.713 6.701 1.636 235 HG3 LYS 33 3HG LYS 33 -7.829 6.547 3.174 236 HD2 LYS 33 2HD LYS 33 -6.154 8.147 2.394 237 HD3 LYS 33 3HD LYS 33 -6.981 8.272 0.823 238 HE2 LYS 33 2HE LYS 33 -8.991 9.134 1.977 239 HE3 LYS 33 3HE LYS 33 -8.116 9.063 3.522 240 HZ1 LYS 33 3HZ LYS 33 -7.355 10.700 1.196 241 HZ2 LYS 33 1HZ LYS 33 -8.066 11.260 2.573 242 HZ3 LYS 33 2HZ LYS 33 -6.542 10.634 2.630 243 H LYS 34 HN LYS 34 -4.403 5.246 0.948 244 HA LYS 34 HA LYS 34 -3.468 3.654 -1.306 245 HB2 LYS 34 2HB LYS 34 -1.425 3.385 0.081 246 HB3 LYS 34 3HB LYS 34 -1.893 5.081 -0.186 247 HG2 LYS 34 2HG LYS 34 -2.956 5.051 2.090 248 HG3 LYS 34 3HG LYS 34 -2.230 3.444 2.337 249 HD2 LYS 34 2HD LYS 34 -0.746 6.033 1.769 250 HD3 LYS 34 3HD LYS 34 -0.821 5.173 3.326 251 HE2 LYS 34 2HE LYS 34 0.346 3.261 2.356 252 HE3 LYS 34 3HE LYS 34 0.360 4.052 0.764 253 HZ1 LYS 34 3HZ LYS 34 1.705 5.050 3.186 254 HZ2 LYS 34 1HZ LYS 34 2.446 4.317 1.909 255 HZ3 LYS 34 2HZ LYS 34 1.719 5.783 1.709 256 H ALA 35 HN ALA 35 -3.737 1.557 -1.588 257 HA ALA 35 HA ALA 35 -4.732 -0.027 0.724 258 HB1 ALA 35 1HB ALA 35 -5.783 -1.480 -0.962 259 HB2 ALA 35 2HB ALA 35 -6.316 0.208 -1.139 260 HB3 ALA 35 3HB ALA 35 -5.105 -0.466 -2.257 261 H VAL 36 HN VAL 36 -1.941 0.509 0.261 262 HA VAL 36 HA VAL 36 -0.785 -1.880 -0.958 263 HB VAL 36 HB VAL 36 0.210 0.468 -0.952 264 HG11 VAL 36 1HG1 VAL 36 1.573 1.120 0.980 265 HG12 VAL 36 2HG1 VAL 36 -0.150 0.997 1.399 266 HG13 VAL 36 3HG1 VAL 36 0.978 -0.296 1.874 267 HG21 VAL 36 3HG2 VAL 36 1.462 -1.497 -1.670 268 HG22 VAL 36 1HG2 VAL 36 2.520 -0.345 -0.824 269 HG23 VAL 36 2HG2 VAL 36 1.955 -1.810 0.012 270 H SER 37 HN SER 37 -2.532 -1.612 1.625 271 HA SER 37 HA SER 37 -1.061 -2.626 3.821 272 HB2 SER 37 2HB SER 37 -3.932 -3.387 3.298 273 HB3 SER 37 3HB SER 37 -3.152 -2.899 4.823 274 HG SER 37 HG SER 37 -4.507 -1.256 3.949 275 H ASP 38 HN ASP 38 -2.006 -4.869 4.788 276 HA ASP 38 HA ASP 38 -0.632 -6.874 3.213 277 HB2 ASP 38 2HB ASP 38 -2.263 -7.140 5.769 278 HB3 ASP 38 3HB ASP 38 -1.151 -8.358 5.107 279 HD2 ASP 38 2HD ASP 38 1.574 -6.795 6.506 280 H ARG 39 HN ARG 39 -3.190 -5.742 2.084 281 HA ARG 39 HA ARG 39 -5.095 -7.958 2.368 282 HB2 ARG 39 2HB ARG 39 -6.620 -6.572 1.135 283 HB3 ARG 39 3HB ARG 39 -5.814 -5.567 2.363 284 HG2 ARG 39 2HG ARG 39 -4.242 -4.798 0.541 285 HG3 ARG 39 3HG ARG 39 -5.312 -5.619 -0.620 286 HD2 ARG 39 2HD ARG 39 -6.034 -3.372 -0.609 287 HD3 ARG 39 3HD ARG 39 -7.213 -4.239 0.399 288 HE ARG 39 HE ARG 39 -5.021 -3.128 1.934 289 HH11 ARG 39 2HH1 ARG 39 -8.182 -2.429 0.513 290 HH12 ARG 39 1HH1 ARG 39 -8.494 -1.078 1.577 291 HH21 ARG 39 2HH2 ARG 39 -5.432 -1.342 3.277 292 HH22 ARG 39 1HH2 ARG 39 -6.939 -0.464 3.139 293 H LEU 40 HN LEU 40 -2.419 -7.267 0.446 294 HA LEU 40 HA LEU 40 -3.540 -8.536 -1.982 295 HB2 LEU 40 2HB LEU 40 -0.816 -7.308 -1.459 296 HB3 LEU 40 3HB LEU 40 -1.450 -7.842 -3.034 297 HG LEU 40 HG LEU 40 -2.577 -5.582 -1.361 298 HD11 LEU 40 1HD1 LEU 40 -1.616 -4.109 -3.084 299 HD12 LEU 40 2HD1 LEU 40 -0.356 -5.052 -2.256 300 HD13 LEU 40 3HD1 LEU 40 -0.894 -5.522 -3.887 301 HD21 LEU 40 3HD2 LEU 40 -4.260 -6.701 -2.757 302 HD22 LEU 40 1HD2 LEU 40 -3.901 -5.073 -3.376 303 HD23 LEU 40 2HD2 LEU 40 -3.216 -6.501 -4.185 304 H ILE 41 HN ILE 41 -1.799 -9.354 0.835 305 HA ILE 41 HA ILE 41 0.103 -11.162 -0.339 306 HB ILE 41 HB ILE 41 -0.902 -11.016 2.530 307 HG12 ILE 41 2HG1 ILE 41 0.011 -8.882 1.783 308 HG13 ILE 41 3HG1 ILE 41 1.096 -9.663 2.957 309 HG21 ILE 41 1HG2 ILE 41 1.215 -12.140 3.099 310 HG22 ILE 41 2HG2 ILE 41 0.221 -13.137 2.012 311 HG23 ILE 41 3HG2 ILE 41 1.622 -12.246 1.371 312 HD11 ILE 41 3HD1 ILE 41 1.462 -9.622 -0.050 313 HD12 ILE 41 1HD1 ILE 41 2.366 -8.634 1.117 314 HD13 ILE 41 2HD1 ILE 41 2.547 -10.401 1.125 315 H GLY 42 HN GLY 42 -0.256 -13.087 -1.194 316 HA2 GLY 42 1HA GLY 42 -0.874 -15.315 -1.160 317 HA3 GLY 42 2HA GLY 42 -1.824 -15.017 0.314 318 H ARG 43 HN ARG 43 -2.419 -12.925 -2.398 319 HA ARG 43 HA ARG 43 -4.952 -14.427 -2.846 320 HB2 ARG 43 2HB ARG 43 -4.362 -11.479 -3.253 321 HB3 ARG 43 3HB ARG 43 -5.924 -12.286 -3.524 322 HG2 ARG 43 2HG ARG 43 -4.489 -11.956 -0.878 323 HG3 ARG 43 3HG ARG 43 -5.955 -11.101 -1.412 324 HD2 ARG 43 2HD ARG 43 -7.174 -13.227 -1.503 325 HD3 ARG 43 3HD ARG 43 -5.709 -14.097 -0.999 326 HE ARG 43 HE ARG 43 -6.330 -12.054 0.893 327 HH11 ARG 43 2HH1 ARG 43 -7.346 -15.263 -0.166 328 HH12 ARG 43 1HH1 ARG 43 -8.071 -15.672 1.372 329 HH21 ARG 43 2HH2 ARG 43 -7.298 -12.591 2.872 330 HH22 ARG 43 1HH2 ARG 43 -8.044 -14.159 3.091 331 H LYS 44 HN LYS 44 -5.854 -14.358 -5.023 332 HA LYS 44 HA LYS 44 -3.697 -14.634 -7.009 333 HB2 LYS 44 2HB LYS 44 -5.484 -16.390 -6.672 334 HB3 LYS 44 3HB LYS 44 -6.657 -15.223 -7.328 335 HG2 LYS 44 2HG LYS 44 -5.319 -15.119 -9.414 336 HG3 LYS 44 3HG LYS 44 -4.245 -16.374 -8.753 337 HD2 LYS 44 2HD LYS 44 -5.774 -17.489 -10.181 338 HD3 LYS 44 3HD LYS 44 -6.300 -17.836 -8.517 339 HE2 LYS 44 2HE LYS 44 -8.055 -16.178 -8.671 340 HE3 LYS 44 3HE LYS 44 -7.473 -15.654 -10.266 341 HZ1 LYS 44 3HZ LYS 44 -8.548 -18.320 -9.627 342 HZ2 LYS 44 1HZ LYS 44 -9.347 -17.133 -10.445 343 HZ3 LYS 44 2HZ LYS 44 -8.009 -17.833 -11.107 344 H GLY 45 HN GLY 45 -3.651 -13.562 -8.983 345 HA2 GLY 45 1HA GLY 45 -5.631 -11.403 -9.389 346 HA3 GLY 45 2HA GLY 45 -3.902 -10.993 -9.345 347 H VAL 46 HN VAL 46 -5.066 -10.311 -11.604 348 HA VAL 46 HA VAL 46 -4.497 -12.555 -13.478 349 HB VAL 46 HB VAL 46 -6.877 -11.841 -13.438 350 HG11 VAL 46 1HG1 VAL 46 -7.533 -9.654 -14.342 351 HG12 VAL 46 2HG1 VAL 46 -6.564 -9.488 -12.860 352 HG13 VAL 46 3HG1 VAL 46 -5.820 -9.188 -14.449 353 HG21 VAL 46 3HG2 VAL 46 -5.912 -12.803 -15.466 354 HG22 VAL 46 1HG2 VAL 46 -7.150 -11.590 -15.865 355 HG23 VAL 46 2HG2 VAL 46 -5.426 -11.180 -16.014 356 H VAL 47 HN VAL 47 -3.274 -12.144 -15.323 357 HA VAL 47 HA VAL 47 -1.498 -9.825 -15.053 358 HB VAL 47 HB VAL 47 -1.442 -12.049 -17.124 359 HG11 VAL 47 1HG1 VAL 47 0.911 -11.403 -17.409 360 HG12 VAL 47 2HG1 VAL 47 -0.185 -10.049 -17.759 361 HG13 VAL 47 3HG1 VAL 47 0.697 -10.104 -16.214 362 HG21 VAL 47 3HG2 VAL 47 -1.287 -12.979 -14.866 363 HG22 VAL 47 1HG2 VAL 47 0.268 -13.116 -15.720 364 HG23 VAL 47 2HG2 VAL 47 0.039 -11.854 -14.487 365 H MET 48 HN MET 48 -1.832 -7.965 -16.072 366 HA MET 48 HA MET 48 -3.648 -7.967 -18.417 367 HB2 MET 48 2HB MET 48 -2.629 -5.694 -16.688 368 HB3 MET 48 3HB MET 48 -3.748 -5.528 -18.061 369 HG2 MET 48 2HG MET 48 -5.337 -7.024 -16.836 370 HG3 MET 48 3HG MET 48 -4.250 -6.944 -15.440 371 HE1 MET 48 3HE MET 48 -6.731 -5.015 -17.766 372 HE2 MET 48 1HE MET 48 -6.547 -3.332 -17.220 373 HE3 MET 48 2HE MET 48 -5.212 -4.140 -18.071 374 H GLU 49 HN GLU 49 -0.368 -7.240 -17.353 375 HA GLU 49 HA GLU 49 0.335 -6.846 -20.218 376 HB2 GLU 49 2HB GLU 49 0.335 -4.669 -19.025 377 HB3 GLU 49 3HB GLU 49 1.532 -5.324 -17.882 378 HG2 GLU 49 2HG GLU 49 3.191 -5.490 -19.564 379 HG3 GLU 49 3HG GLU 49 2.008 -5.212 -20.862 380 HE2 GLU 49 2HE GLU 49 3.742 -2.122 -19.239 381 H ALA 50 HN ALA 50 2.226 -7.778 -20.895 382 HA ALA 50 HA ALA 50 2.922 -10.191 -19.672 383 HB1 ALA 50 1HB ALA 50 4.775 -10.267 -21.285 384 HB2 ALA 50 2HB ALA 50 3.275 -9.688 -22.044 385 HB3 ALA 50 3HB ALA 50 4.558 -8.533 -21.613 386 H ILE 51 HN ILE 51 4.064 -10.741 -18.007 387 HA ILE 51 HA ILE 51 5.920 -8.811 -16.777 388 HB ILE 51 HB ILE 51 4.975 -11.562 -15.864 389 HG12 ILE 51 2HG1 ILE 51 4.218 -8.842 -14.770 390 HG13 ILE 51 3HG1 ILE 51 3.247 -9.727 -15.971 391 HG21 ILE 51 1HG2 ILE 51 5.957 -10.964 -13.688 392 HG22 ILE 51 2HG2 ILE 51 7.189 -10.992 -14.971 393 HG23 ILE 51 3HG2 ILE 51 6.556 -9.439 -14.378 394 HD11 ILE 51 3HD1 ILE 51 3.943 -10.694 -13.184 395 HD12 ILE 51 1HD1 ILE 51 2.367 -10.056 -13.696 396 HD13 ILE 51 2HD1 ILE 51 2.971 -11.578 -14.386 397 H SER 52 HN SER 52 8.054 -8.902 -17.129 398 HA SER 52 HA SER 52 9.131 -11.403 -18.314 399 HB2 SER 52 2HB SER 52 11.067 -9.900 -18.961 400 HB3 SER 52 3HB SER 52 9.517 -9.543 -19.759 401 HG SER 52 HG SER 52 10.572 -7.653 -18.980 402 HA PRO 53 HA PRO 53 11.714 -11.853 -14.718 403 HB2 PRO 53 2HB PRO 53 13.972 -13.024 -15.790 404 HB3 PRO 53 3HB PRO 53 12.399 -13.865 -15.604 405 HG2 PRO 53 2HG PRO 53 13.664 -12.776 -18.027 406 HG3 PRO 53 3HG PRO 53 12.567 -14.184 -17.848 407 HD2 PRO 53 2HD PRO 53 11.910 -11.590 -18.777 408 HD3 PRO 53 3HD PRO 53 10.758 -12.864 -18.272 409 H GLN 54 HN GLN 54 12.432 -9.798 -17.285 410 HA GLN 54 HA GLN 54 14.865 -8.688 -16.055 411 HB2 GLN 54 2HB GLN 54 13.385 -8.255 -18.637 412 HB3 GLN 54 3HB GLN 54 14.508 -7.012 -18.037 413 HG2 GLN 54 2HG GLN 54 15.659 -8.390 -19.613 414 HG3 GLN 54 3HG GLN 54 16.302 -8.721 -17.990 415 HE21 GLN 54 1HE2 GLN 54 16.071 -10.752 -17.084 416 HE22 GLN 54 2HE2 GLN 54 15.469 -12.125 -17.990 417 H ASN 55 HN ASN 55 11.587 -7.565 -17.044 418 HA ASN 55 HA ASN 55 11.945 -5.319 -15.109 419 HB2 ASN 55 2HB ASN 55 11.914 -4.894 -17.701 420 HB3 ASN 55 3HB ASN 55 10.163 -5.143 -17.528 421 HD21 ASN 55 1HD2 ASN 55 12.910 -3.111 -16.670 422 HD22 ASN 55 2HD2 ASN 55 11.973 -1.732 -16.135 423 H SER 56 HN SER 56 9.359 -4.317 -15.149 424 HA SER 56 HA SER 56 7.991 -6.557 -13.776 425 HB2 SER 56 2HB SER 56 7.228 -3.635 -13.631 426 HB3 SER 56 3HB SER 56 6.874 -4.939 -12.473 427 HG SER 56 HG SER 56 8.578 -3.563 -11.770 428 H GLY 57 HN GLY 57 5.820 -7.013 -14.114 429 HA2 GLY 57 1HA GLY 57 4.665 -5.838 -16.598 430 HA3 GLY 57 2HA GLY 57 4.287 -7.453 -15.959 431 H LEU 58 HN LEU 58 2.086 -6.126 -16.418 432 HA LEU 58 HA LEU 58 1.416 -4.768 -13.856 433 HB2 LEU 58 2HB LEU 58 0.199 -4.505 -16.615 434 HB3 LEU 58 3HB LEU 58 -0.500 -3.791 -15.141 435 HG LEU 58 HG LEU 58 2.207 -3.140 -16.330 436 HD11 LEU 58 1HD1 LEU 58 1.193 -0.958 -16.857 437 HD12 LEU 58 2HD1 LEU 58 0.337 -2.288 -17.671 438 HD13 LEU 58 3HD1 LEU 58 -0.367 -1.531 -16.221 439 HD21 LEU 58 3HD2 LEU 58 2.192 -2.959 -13.881 440 HD22 LEU 58 1HD2 LEU 58 2.283 -1.351 -14.636 441 HD23 LEU 58 2HD2 LEU 58 0.742 -1.929 -13.959 442 H VAL 59 HN VAL 59 0.262 -5.911 -12.488 443 HA VAL 59 HA VAL 59 -1.659 -7.884 -13.617 444 HB VAL 59 HB VAL 59 -1.546 -9.038 -11.418 445 HG11 VAL 59 1HG1 VAL 59 0.665 -10.058 -11.749 446 HG12 VAL 59 2HG1 VAL 59 -0.172 -9.802 -13.297 447 HG13 VAL 59 3HG1 VAL 59 1.133 -8.701 -12.797 448 HG21 VAL 59 3HG2 VAL 59 -0.840 -7.137 -10.044 449 HG22 VAL 59 1HG2 VAL 59 0.276 -8.509 -9.855 450 HG23 VAL 59 2HG2 VAL 59 0.738 -7.121 -10.866 451 H LYS 60 HN LYS 60 -3.641 -8.191 -12.329 452 HA LYS 60 HA LYS 60 -4.484 -5.631 -11.041 453 HB2 LYS 60 2HB LYS 60 -5.344 -5.934 -13.364 454 HB3 LYS 60 3HB LYS 60 -6.132 -7.441 -12.834 455 HG2 LYS 60 2HG LYS 60 -7.584 -6.224 -11.350 456 HG3 LYS 60 3HG LYS 60 -6.720 -4.703 -11.682 457 HD2 LYS 60 2HD LYS 60 -7.378 -4.857 -14.050 458 HD3 LYS 60 3HD LYS 60 -8.258 -6.364 -13.701 459 HE2 LYS 60 2HE LYS 60 -9.767 -5.178 -12.213 460 HE3 LYS 60 3HE LYS 60 -8.850 -3.673 -12.437 461 HZ1 LYS 60 3HZ LYS 60 -10.285 -5.135 -14.549 462 HZ2 LYS 60 1HZ LYS 60 -10.794 -3.744 -13.825 463 HZ3 LYS 60 2HZ LYS 60 -9.434 -3.739 -14.756 464 H VAL 61 HN VAL 61 -5.083 -5.901 -9.011 465 HA VAL 61 HA VAL 61 -6.148 -8.564 -8.204 466 HB VAL 61 HB VAL 61 -4.436 -6.700 -6.510 467 HG11 VAL 61 1HG1 VAL 61 -4.402 -8.567 -4.905 468 HG12 VAL 61 2HG1 VAL 61 -6.062 -8.006 -5.217 469 HG13 VAL 61 3HG1 VAL 61 -5.470 -9.505 -5.974 470 HG21 VAL 61 3HG2 VAL 61 -3.111 -7.734 -8.295 471 HG22 VAL 61 1HG2 VAL 61 -2.674 -8.406 -6.708 472 HG23 VAL 61 2HG2 VAL 61 -3.705 -9.342 -7.815 473 H ASP 62 HN ASP 62 -8.175 -8.458 -7.535 474 HA ASP 62 HA ASP 62 -10.146 -7.691 -6.697 475 HB2 ASP 62 2HB ASP 62 -9.038 -7.143 -4.640 476 HB3 ASP 62 3HB ASP 62 -8.374 -5.647 -5.330 477 HD2 ASP 62 2HD ASP 62 -12.220 -5.644 -4.279 478 H GLY 63 HN GLY 63 -8.293 -4.671 -7.325 479 HA2 GLY 63 1HA GLY 63 -10.068 -4.084 -9.573 480 HA3 GLY 63 2HA GLY 63 -10.234 -3.009 -8.167 481 H GLU 64 HN GLU 64 -7.224 -3.415 -7.629 482 HA GLU 64 HA GLU 64 -6.484 -1.162 -9.397 483 HB2 GLU 64 2HB GLU 64 -5.289 -2.252 -6.834 484 HB3 GLU 64 3HB GLU 64 -4.523 -0.973 -7.807 485 HG2 GLU 64 2HG GLU 64 -6.494 0.451 -7.474 486 HG3 GLU 64 3HG GLU 64 -7.244 -0.824 -6.488 487 HE2 GLU 64 2HE GLU 64 -4.401 1.412 -4.871 488 H THR 65 HN THR 65 -4.519 -1.114 -10.551 489 HA THR 65 HA THR 65 -3.444 -3.815 -11.078 490 HB THR 65 HB THR 65 -4.204 -2.600 -13.068 491 HG1 THR 65 1HG THR 65 -2.221 -2.822 -14.231 492 HG21 THR 65 3HG2 THR 65 -2.071 -0.556 -12.358 493 HG22 THR 65 1HG2 THR 65 -3.023 -0.582 -13.859 494 HG23 THR 65 2HG2 THR 65 -3.830 -0.295 -12.301 495 H TRP 66 HN TRP 66 -1.520 -4.400 -10.448 496 HA TRP 66 HA TRP 66 0.219 -2.310 -9.242 497 HB2 TRP 66 2HB TRP 66 -0.261 -5.177 -8.359 498 HB3 TRP 66 3HB TRP 66 0.996 -4.123 -7.696 499 HD1 TRP 66 1HD TRP 66 -2.819 -4.639 -7.656 500 HE1 TRP 66 1HE TRP 66 -3.850 -3.270 -5.755 501 HE3 TRP 66 3HE TRP 66 1.361 -2.039 -6.265 502 HZ2 TRP 66 2HZ TRP 66 -2.960 -1.326 -3.884 503 HZ3 TRP 66 3HZ TRP 66 1.188 -0.438 -4.400 504 HH2 TRP 66 2HH TRP 66 -0.939 -0.103 -3.220 505 H ARG 67 HN ARG 67 2.528 -2.935 -9.155 506 HA ARG 67 HA ARG 67 3.281 -4.026 -11.769 507 HB2 ARG 67 2HB ARG 67 4.933 -2.820 -9.530 508 HB3 ARG 67 3HB ARG 67 5.577 -3.364 -11.098 509 HG2 ARG 67 2HG ARG 67 5.356 -0.994 -11.191 510 HG3 ARG 67 3HG ARG 67 4.068 -1.691 -12.202 511 HD2 ARG 67 2HD ARG 67 2.406 -1.241 -10.584 512 HD3 ARG 67 3HD ARG 67 3.610 -0.941 -9.312 513 HE ARG 67 HE ARG 67 4.148 1.005 -11.161 514 HH11 ARG 67 2HH1 ARG 67 1.167 -0.054 -9.591 515 HH12 ARG 67 1HH1 ARG 67 0.472 1.549 -9.544 516 HH21 ARG 67 2HH2 ARG 67 3.242 3.107 -11.046 517 HH22 ARG 67 1HH2 ARG 67 1.646 3.338 -10.368 518 H ALA 68 HN ALA 68 4.468 -5.886 -12.080 519 HA ALA 68 HA ALA 68 4.854 -7.551 -9.654 520 HB1 ALA 68 1HB ALA 68 3.870 -9.482 -10.815 521 HB2 ALA 68 2HB ALA 68 2.697 -8.156 -10.647 522 HB3 ALA 68 3HB ALA 68 3.493 -8.448 -12.213 523 H THR 69 HN THR 69 6.571 -8.845 -9.619 524 HA THR 69 HA THR 69 8.176 -9.066 -12.115 525 HB THR 69 HB THR 69 10.167 -9.252 -10.484 526 HG1 THR 69 1HG THR 69 9.803 -8.137 -8.492 527 HG21 THR 69 3HG2 THR 69 8.730 -6.590 -10.739 528 HG22 THR 69 1HG2 THR 69 10.458 -6.808 -10.376 529 HG23 THR 69 2HG2 THR 69 9.811 -7.316 -11.953 530 H SER 70 HN SER 70 9.148 -11.068 -12.509 531 HA SER 70 HA SER 70 8.754 -13.218 -10.551 532 HB2 SER 70 2HB SER 70 6.600 -12.973 -11.914 533 HB3 SER 70 3HB SER 70 7.554 -13.488 -13.325 534 HG SER 70 HG SER 70 6.497 -15.240 -12.278 535 H GLY 71 HN GLY 71 9.353 -15.404 -12.037 536 HA2 GLY 71 1HA GLY 71 12.022 -14.661 -13.133 537 HA3 GLY 71 2HA GLY 71 11.616 -16.214 -12.369 538 H THR 72 HN THR 72 8.982 -15.462 -14.152 539 HA THR 72 HA THR 72 10.078 -16.669 -16.643 540 HB THR 72 HB THR 72 7.282 -17.315 -15.725 541 HG1 THR 72 1HG THR 72 8.155 -19.164 -14.642 542 HG21 THR 72 3HG2 THR 72 9.388 -18.865 -17.273 543 HG22 THR 72 1HG2 THR 72 7.717 -19.396 -16.977 544 HG23 THR 72 2HG2 THR 72 8.026 -17.962 -17.981 545 H VAL 73 HN VAL 73 8.530 -16.340 -18.513 546 HA VAL 73 HA VAL 73 7.616 -13.557 -18.430 547 HB VAL 73 HB VAL 73 7.656 -15.519 -20.755 548 HG11 VAL 73 1HG1 VAL 73 7.397 -13.520 -22.168 549 HG12 VAL 73 2HG1 VAL 73 6.024 -13.711 -21.053 550 HG13 VAL 73 3HG1 VAL 73 7.288 -12.506 -20.712 551 HG21 VAL 73 3HG2 VAL 73 9.906 -15.056 -19.899 552 HG22 VAL 73 1HG2 VAL 73 9.663 -14.304 -21.493 553 HG23 VAL 73 2HG2 VAL 73 9.599 -13.308 -20.021 554 H LEU 74 HN LEU 74 5.737 -13.413 -17.349 555 HA LEU 74 HA LEU 74 3.558 -15.305 -17.974 556 HB2 LEU 74 2HB LEU 74 3.605 -12.976 -16.038 557 HB3 LEU 74 3HB LEU 74 2.400 -14.283 -16.127 558 HG LEU 74 HG LEU 74 5.315 -14.612 -15.358 559 HD11 LEU 74 1HD1 LEU 74 4.455 -15.039 -13.095 560 HD12 LEU 74 2HD1 LEU 74 4.033 -13.405 -13.656 561 HD13 LEU 74 3HD1 LEU 74 2.804 -14.692 -13.659 562 HD21 LEU 74 3HD2 LEU 74 4.382 -16.594 -16.468 563 HD22 LEU 74 1HD2 LEU 74 4.659 -16.904 -14.738 564 HD23 LEU 74 2HD2 LEU 74 3.012 -16.591 -15.332 565 H ASP 75 HN ASP 75 2.203 -14.863 -19.580 566 HA ASP 75 HA ASP 75 2.315 -12.136 -20.709 567 HB2 ASP 75 2HB ASP 75 2.731 -14.304 -22.038 568 HB3 ASP 75 3HB ASP 75 0.973 -14.546 -21.947 569 HD2 ASP 75 2HD ASP 75 0.406 -12.194 -24.395 570 H VAL 76 HN VAL 76 0.091 -11.714 -21.989 571 HA VAL 76 HA VAL 76 -1.663 -10.941 -19.849 572 HB VAL 76 HB VAL 76 -2.147 -10.801 -22.848 573 HG11 VAL 76 1HG1 VAL 76 -3.645 -8.933 -22.285 574 HG12 VAL 76 2HG1 VAL 76 -4.157 -10.442 -21.495 575 HG13 VAL 76 3HG1 VAL 76 -3.310 -9.187 -20.557 576 HG21 VAL 76 3HG2 VAL 76 -0.014 -9.747 -22.261 577 HG22 VAL 76 1HG2 VAL 76 -1.218 -8.526 -22.732 578 HG23 VAL 76 2HG2 VAL 76 -0.830 -8.773 -21.014 579 H GLY 77 HN GLY 77 -3.443 -11.898 -19.070 580 HA2 GLY 77 1HA GLY 77 -5.522 -13.065 -19.496 581 HA3 GLY 77 2HA GLY 77 -4.692 -14.016 -20.750 582 H GLU 78 HN GLU 78 -2.396 -13.951 -18.520 583 HA GLU 78 HA GLU 78 -3.207 -16.509 -17.374 584 HB2 GLU 78 2HB GLU 78 -0.715 -14.828 -17.008 585 HB3 GLU 78 3HB GLU 78 -0.954 -16.481 -16.391 586 HG2 GLU 78 2HG GLU 78 -0.737 -15.560 -19.248 587 HG3 GLU 78 3HG GLU 78 0.350 -16.642 -18.349 588 HE2 GLU 78 2HE GLU 78 -2.244 -19.179 -18.570 589 H GLU 79 HN GLU 79 -2.486 -16.783 -14.992 590 HA GLU 79 HA GLU 79 -3.546 -14.491 -13.413 591 HB2 GLU 79 2HB GLU 79 -4.104 -17.434 -12.927 592 HB3 GLU 79 3HB GLU 79 -4.648 -16.077 -11.911 593 HG2 GLU 79 2HG GLU 79 -5.835 -15.214 -14.012 594 HG3 GLU 79 3HG GLU 79 -5.540 -16.829 -14.692 595 HE2 GLU 79 2HE GLU 79 -8.618 -16.422 -12.434 596 H VAL 80 HN VAL 80 -2.598 -14.136 -11.420 597 HA VAL 80 HA VAL 80 -0.157 -15.761 -10.929 598 HB VAL 80 HB VAL 80 0.938 -13.685 -10.088 599 HG11 VAL 80 1HG1 VAL 80 1.427 -12.724 -12.296 600 HG12 VAL 80 2HG1 VAL 80 1.375 -14.501 -12.354 601 HG13 VAL 80 3HG1 VAL 80 0.002 -13.547 -12.968 602 HG21 VAL 80 3HG2 VAL 80 -1.076 -12.386 -9.577 603 HG22 VAL 80 1HG2 VAL 80 -0.001 -11.488 -10.674 604 HG23 VAL 80 2HG2 VAL 80 -1.458 -12.284 -11.313 605 H SER 81 HN SER 81 0.623 -15.781 -8.752 606 HA SER 81 HA SER 81 -1.461 -15.098 -6.731 607 HB2 SER 81 2HB SER 81 -1.064 -17.566 -7.081 608 HB3 SER 81 3HB SER 81 0.616 -17.310 -6.551 609 HG SER 81 HG SER 81 -0.766 -17.977 -4.838 610 H VAL 82 HN VAL 82 -0.839 -13.672 -5.199 611 HA VAL 82 HA VAL 82 1.828 -12.529 -5.485 612 HB VAL 82 HB VAL 82 -0.399 -11.773 -3.553 613 HG11 VAL 82 1HG1 VAL 82 0.783 -9.619 -3.396 614 HG12 VAL 82 2HG1 VAL 82 1.814 -10.968 -2.866 615 HG13 VAL 82 3HG1 VAL 82 2.056 -10.240 -4.472 616 HG21 VAL 82 3HG2 VAL 82 -1.134 -11.610 -5.889 617 HG22 VAL 82 1HG2 VAL 82 -0.943 -9.995 -5.167 618 HG23 VAL 82 2HG2 VAL 82 0.297 -10.625 -6.277 619 H LYS 83 HN LYS 83 3.518 -13.343 -4.499 620 HA LYS 83 HA LYS 83 3.263 -14.970 -2.095 621 HB2 LYS 83 2HB LYS 83 5.331 -14.272 -4.088 622 HB3 LYS 83 3HB LYS 83 5.937 -14.530 -2.434 623 HG2 LYS 83 2HG LYS 83 4.153 -16.515 -3.839 624 HG3 LYS 83 3HG LYS 83 5.927 -16.542 -3.980 625 HD2 LYS 83 2HD LYS 83 6.114 -16.664 -1.539 626 HD3 LYS 83 3HD LYS 83 4.338 -16.651 -1.406 627 HE2 LYS 83 2HE LYS 83 5.360 -18.917 -1.208 628 HE3 LYS 83 3HE LYS 83 4.171 -18.767 -2.521 629 HZ1 LYS 83 3HZ LYS 83 7.096 -18.656 -2.837 630 HZ2 LYS 83 1HZ LYS 83 6.135 -19.937 -3.229 631 HZ3 LYS 83 2HZ LYS 83 5.993 -18.518 -4.055 632 H ALA 84 HN ALA 84 4.733 -11.827 -2.975 633 HA ALA 84 HA ALA 84 4.287 -10.787 -0.306 634 HB1 ALA 84 1HB ALA 84 6.661 -10.403 0.236 635 HB2 ALA 84 2HB ALA 84 6.301 -12.141 0.109 636 HB3 ALA 84 3HB ALA 84 7.139 -11.306 -1.221 637 H ILE 85 HN ILE 85 5.580 -8.584 -0.145 638 HA ILE 85 HA ILE 85 5.137 -7.219 -2.754 639 HB ILE 85 HB ILE 85 5.130 -6.059 0.067 640 HG12 ILE 85 2HG1 ILE 85 2.814 -6.589 -1.822 641 HG13 ILE 85 3HG1 ILE 85 3.213 -7.557 -0.382 642 HG21 ILE 85 1HG2 ILE 85 4.246 -4.026 -1.006 643 HG22 ILE 85 2HG2 ILE 85 5.852 -4.450 -1.643 644 HG23 ILE 85 3HG2 ILE 85 4.392 -4.804 -2.598 645 HD11 ILE 85 3HD1 ILE 85 2.407 -4.636 -0.397 646 HD12 ILE 85 1HD1 ILE 85 1.366 -5.995 0.077 647 HD13 ILE 85 2HD1 ILE 85 2.806 -5.605 1.042 648 H GLU 86 HN GLU 86 6.785 -6.135 -3.702 649 HA GLU 86 HA GLU 86 9.294 -5.809 -2.119 650 HB2 GLU 86 2HB GLU 86 9.143 -7.609 -4.056 651 HB3 GLU 86 3HB GLU 86 9.343 -6.181 -5.099 652 HG2 GLU 86 2HG GLU 86 11.241 -7.066 -2.907 653 HG3 GLU 86 3HG GLU 86 11.475 -7.310 -4.652 654 HE2 GLU 86 2HE GLU 86 12.495 -4.021 -5.105 655 H GLY 87 HN GLY 87 8.529 -3.684 -1.584 656 HA2 GLY 87 1HA GLY 87 8.642 -1.408 -1.918 657 HA3 GLY 87 2HA GLY 87 9.315 -1.711 -3.536 658 H VAL 88 HN VAL 88 8.133 -1.104 -5.183 659 HA VAL 88 HA VAL 88 5.238 -0.632 -4.761 660 HB VAL 88 HB VAL 88 6.896 0.122 -7.188 661 HG11 VAL 88 1HG1 VAL 88 5.134 1.801 -7.547 662 HG12 VAL 88 2HG1 VAL 88 4.466 0.155 -7.498 663 HG13 VAL 88 3HG1 VAL 88 4.294 1.228 -6.088 664 HG21 VAL 88 3HG2 VAL 88 7.936 1.119 -5.204 665 HG22 VAL 88 1HG2 VAL 88 7.157 2.364 -6.207 666 HG23 VAL 88 2HG2 VAL 88 6.366 1.801 -4.716 667 H LYS 89 HN LYS 89 7.228 -3.067 -5.649 668 HA LYS 89 HA LYS 89 5.448 -4.051 -7.825 669 HB2 LYS 89 2HB LYS 89 8.189 -5.078 -7.042 670 HB3 LYS 89 3HB LYS 89 7.270 -5.438 -8.522 671 HG2 LYS 89 2HG LYS 89 7.556 -3.154 -9.294 672 HG3 LYS 89 3HG LYS 89 8.386 -2.720 -7.781 673 HD2 LYS 89 2HD LYS 89 9.336 -4.719 -9.861 674 HD3 LYS 89 3HD LYS 89 10.016 -3.103 -9.553 675 HE2 LYS 89 2HE LYS 89 9.964 -5.410 -7.578 676 HE3 LYS 89 3HE LYS 89 11.373 -4.892 -8.528 677 HZ1 LYS 89 3HZ LYS 89 9.962 -3.260 -6.529 678 HZ2 LYS 89 1HZ LYS 89 11.419 -3.997 -6.311 679 HZ3 LYS 89 2HZ LYS 89 11.270 -2.780 -7.411 680 H LEU 90 HN LEU 90 4.992 -6.390 -7.811 681 HA LEU 90 HA LEU 90 4.999 -7.493 -5.042 682 HB2 LEU 90 2HB LEU 90 3.082 -8.124 -7.306 683 HB3 LEU 90 3HB LEU 90 3.019 -8.762 -5.646 684 HG LEU 90 HG LEU 90 2.607 -5.878 -6.459 685 HD11 LEU 90 1HD1 LEU 90 0.263 -6.280 -5.833 686 HD12 LEU 90 2HD1 LEU 90 0.774 -7.345 -7.163 687 HD13 LEU 90 3HD1 LEU 90 0.645 -7.986 -5.507 688 HD21 LEU 90 3HD2 LEU 90 3.602 -6.098 -4.230 689 HD22 LEU 90 1HD2 LEU 90 1.914 -5.547 -4.124 690 HD23 LEU 90 2HD2 LEU 90 2.320 -7.242 -3.766 691 H VAL 91 HN VAL 91 5.615 -9.626 -4.764 692 HA VAL 91 HA VAL 91 7.092 -10.820 -7.022 693 HB VAL 91 HB VAL 91 6.816 -11.788 -4.150 694 HG11 VAL 91 1HG1 VAL 91 8.791 -13.161 -4.668 695 HG12 VAL 91 2HG1 VAL 91 7.426 -13.552 -5.739 696 HG13 VAL 91 3HG1 VAL 91 8.773 -12.556 -6.340 697 HG21 VAL 91 3HG2 VAL 91 7.879 -9.579 -4.241 698 HG22 VAL 91 1HG2 VAL 91 9.056 -10.835 -3.791 699 HG23 VAL 91 2HG2 VAL 91 9.042 -10.182 -5.446 700 H VAL 92 HN VAL 92 5.919 -12.034 -8.402 701 HA VAL 92 HA VAL 92 3.597 -13.471 -7.225 702 HB VAL 92 HB VAL 92 2.437 -13.157 -9.399 703 HG11 VAL 92 1HG1 VAL 92 1.871 -10.786 -9.074 704 HG12 VAL 92 2HG1 VAL 92 1.997 -11.647 -7.522 705 HG13 VAL 92 3HG1 VAL 92 3.318 -10.581 -8.060 706 HG21 VAL 92 3HG2 VAL 92 4.402 -12.868 -10.831 707 HG22 VAL 92 1HG2 VAL 92 3.278 -11.502 -11.011 708 HG23 VAL 92 2HG2 VAL 92 4.757 -11.312 -10.042 709 H GLU 93 HN GLU 93 3.043 -15.465 -7.980 710 HA GLU 93 HA GLU 93 4.948 -16.734 -9.900 711 HB2 GLU 93 2HB GLU 93 3.296 -18.022 -7.699 712 HB3 GLU 93 3HB GLU 93 4.337 -18.881 -8.858 713 HG2 GLU 93 2HG GLU 93 6.300 -17.741 -7.942 714 HG3 GLU 93 3HG GLU 93 5.261 -16.880 -6.786 715 HE2 GLU 93 2HE GLU 93 6.377 -20.543 -5.948 716 H LYS 94 HN LYS 94 3.839 -18.539 -11.183 717 HA LYS 94 HA LYS 94 1.355 -17.416 -12.231 718 HB2 LYS 94 2HB LYS 94 3.219 -18.407 -13.640 719 HB3 LYS 94 3HB LYS 94 2.691 -20.002 -13.050 720 HG2 LYS 94 2HG LYS 94 0.436 -19.565 -13.977 721 HG3 LYS 94 3HG LYS 94 1.028 -18.017 -14.628 722 HD2 LYS 94 2HD LYS 94 2.800 -19.362 -15.857 723 HD3 LYS 94 3HD LYS 94 1.889 -20.817 -15.389 724 HE2 LYS 94 2HE LYS 94 0.850 -18.488 -17.029 725 HE3 LYS 94 3HE LYS 94 1.275 -20.101 -17.639 726 HZ1 LYS 94 3HZ LYS 94 -0.874 -19.507 -15.722 727 HZ2 LYS 94 1HZ LYS 94 -1.082 -19.866 -17.317 728 HZ3 LYS 94 2HZ LYS 94 -0.480 -21.004 -16.289 729 H LEU 95 HN LEU 95 -0.620 -18.017 -11.714 730 HA LEU 95 HA LEU 95 -0.944 -20.344 -9.909 731 HB2 LEU 95 2HB LEU 95 -1.813 -17.857 -9.601 732 HB3 LEU 95 3HB LEU 95 -3.137 -18.441 -10.636 733 HG LEU 95 HG LEU 95 -3.518 -18.468 -8.135 734 HD11 LEU 95 1HD1 LEU 95 -4.719 -20.614 -8.187 735 HD12 LEU 95 2HD1 LEU 95 -4.929 -19.709 -9.702 736 HD13 LEU 95 3HD1 LEU 95 -3.804 -21.086 -9.636 737 HD21 LEU 95 3HD2 LEU 95 -1.315 -19.316 -7.476 738 HD22 LEU 95 1HD2 LEU 95 -2.610 -20.386 -6.891 739 HD23 LEU 95 2HD2 LEU 95 -1.649 -20.851 -8.314 740 H GLU 96 HN GLU 96 -2.246 -22.045 -10.410 741 HA GLU 96 HA GLU 96 -2.583 -22.528 -13.256 742 HB2 GLU 96 2HB GLU 96 -1.838 -24.269 -11.642 743 HB3 GLU 96 3HB GLU 96 -3.444 -24.208 -10.878 744 HG2 GLU 96 2HG GLU 96 -3.293 -26.108 -12.374 745 HG3 GLU 96 3HG GLU 96 -4.468 -24.927 -12.993 746 HE2 GLU 96 2HE GLU 96 -2.443 -24.201 -15.759 747 H GLU 97 HN GLU 97 -4.501 -22.775 -14.404 748 HA GLU 97 HA GLU 97 -6.710 -21.176 -13.439 749 HB2 GLU 97 2HB GLU 97 -5.795 -21.704 -15.878 750 HB3 GLU 97 3HB GLU 97 -6.972 -23.036 -15.772 751 HG2 GLU 97 2HG GLU 97 -7.619 -20.103 -15.385 752 HG3 GLU 97 3HG GLU 97 -7.852 -21.011 -16.895 753 HE2 GLU 97 2HE GLU 97 -10.509 -21.391 -14.013 754 H GLN 98 HN GLN 98 -7.575 -22.068 -11.609 755 HA GLN 98 HA GLN 98 -8.286 -24.911 -11.592 756 HB2 GLN 98 2HB GLN 98 -9.081 -24.388 -9.261 757 HB3 GLN 98 3HB GLN 98 -7.348 -24.122 -9.564 758 HG2 GLN 98 2HG GLN 98 -7.798 -21.701 -9.814 759 HG3 GLN 98 3HG GLN 98 -9.504 -21.999 -9.419 760 HE21 GLN 98 1HE2 GLN 98 -8.862 -24.096 -7.432 761 HE22 GLN 98 2HE2 GLN 98 -8.258 -23.246 -6.024 762 H LYS 99 HN LYS 99 -10.133 -25.680 -12.253 763 HA LYS 99 HA LYS 99 -12.294 -23.740 -12.841 764 HB2 LYS 99 2HB LYS 99 -12.107 -26.621 -13.747 765 HB3 LYS 99 3HB LYS 99 -13.037 -25.287 -14.471 766 HG2 LYS 99 2HG LYS 99 -10.964 -24.195 -15.163 767 HG3 LYS 99 3HG LYS 99 -10.012 -25.493 -14.402 768 HD2 LYS 99 2HD LYS 99 -11.224 -27.106 -15.947 769 HD3 LYS 99 3HD LYS 99 -11.830 -25.674 -16.813 770 HE2 LYS 99 2HE LYS 99 -8.925 -26.441 -16.381 771 HE3 LYS 99 3HE LYS 99 -9.828 -26.523 -17.909 772 HZ1 LYS 99 3HZ LYS 99 -9.219 -24.063 -16.408 773 HZ2 LYS 99 1HZ LYS 99 -8.464 -24.559 -17.787 774 HZ3 LYS 99 2HZ LYS 99 -10.057 -24.139 -17.827 775 H GLY 100 HN GLY 100 -14.396 -24.025 -12.148 776 HA2 GLY 100 1HA GLY 100 -14.648 -25.699 -9.746 777 HA3 GLY 100 2HA GLY 100 -15.798 -24.472 -10.323 778 H SER 101 HN SER 101 -16.309 -27.218 -9.411 779 HA SER 101 HA SER 101 -17.197 -28.502 -11.925 780 HB2 SER 101 2HB SER 101 -17.830 -30.348 -10.189 781 HB3 SER 101 3HB SER 101 -16.119 -30.091 -10.610 782 HG SER 101 HG SER 101 -16.465 -30.227 -8.335 Start of MODEL 3 1 H1 MET 1 HN MET 1 -39.346 -10.560 -1.614 2 HA MET 1 HA MET 1 -41.444 -11.575 0.012 3 HB2 MET 1 2HB MET 1 -38.800 -13.011 0.276 4 HB3 MET 1 3HB MET 1 -39.925 -12.863 1.648 5 HG2 MET 1 2HG MET 1 -40.579 -14.118 -1.031 6 HG3 MET 1 3HG MET 1 -40.147 -15.007 0.440 7 HE1 MET 1 3HE MET 1 -42.355 -16.456 0.306 8 HE2 MET 1 1HE MET 1 -43.984 -15.771 0.114 9 HE3 MET 1 2HE MET 1 -42.797 -15.615 -1.199 10 H GLY 2 HN GLY 2 -40.248 -11.500 2.553 11 HA2 GLY 2 1HA GLY 2 -40.149 -8.720 2.994 12 HA3 GLY 2 2HA GLY 2 -39.622 -9.974 4.138 13 H SER 3 HN SER 3 -38.673 -7.311 2.389 14 HA SER 3 HA SER 3 -35.870 -8.187 2.094 15 HB2 SER 3 2HB SER 3 -37.164 -5.514 1.437 16 HB3 SER 3 3HB SER 3 -35.551 -6.076 0.937 17 HG SER 3 HG SER 3 -37.140 -6.354 -0.708 18 H SER 4 HN SER 4 -35.277 -8.436 4.267 19 HA SER 4 HA SER 4 -35.612 -6.187 6.100 20 HB2 SER 4 2HB SER 4 -34.030 -8.759 6.447 21 HB3 SER 4 3HB SER 4 -34.529 -7.627 7.727 22 HG SER 4 HG SER 4 -35.934 -9.442 7.546 23 H HIS 5 HN HIS 5 -34.451 -4.462 5.387 24 HA HIS 5 HA HIS 5 -31.503 -4.848 5.344 25 HB2 HIS 5 2HB HIS 5 -31.287 -3.267 3.518 26 HB3 HIS 5 3HB HIS 5 -32.328 -4.616 3.026 27 HD1 HIS 5 1HD HIS 5 -32.193 -1.495 1.964 28 HD2 HIS 5 2HD HIS 5 -35.175 -3.361 4.211 29 HE1 HIS 5 1HE HIS 5 -34.313 -0.163 1.569 30 HE2 HIS 5 2HE HIS 5 -36.125 -1.301 2.940 31 H HIS 6 HN HIS 6 -30.320 -2.789 5.720 32 HA HIS 6 HA HIS 6 -31.600 -1.402 7.959 33 HB2 HIS 6 2HB HIS 6 -28.812 -1.277 6.774 34 HB3 HIS 6 3HB HIS 6 -29.338 -0.326 8.174 35 HD1 HIS 6 1HD HIS 6 -27.556 -3.290 7.450 36 HD2 HIS 6 2HD HIS 6 -30.514 -2.295 10.224 37 HE1 HIS 6 1HE HIS 6 -27.408 -5.024 9.290 38 HE2 HIS 6 2HE HIS 6 -29.203 -4.413 10.978 39 H HIS 7 HN HIS 7 -30.704 1.061 8.035 40 HA HIS 7 HA HIS 7 -32.326 2.401 6.065 41 HB2 HIS 7 2HB HIS 7 -32.025 3.106 8.460 42 HB3 HIS 7 3HB HIS 7 -30.376 3.609 8.047 43 HD1 HIS 7 1HD HIS 7 -33.990 4.420 7.166 44 HD2 HIS 7 2HD HIS 7 -30.187 6.132 7.002 45 HE1 HIS 7 1HE HIS 7 -34.332 6.831 6.471 46 HE2 HIS 7 2HE HIS 7 -32.016 7.868 6.374 47 H HIS 8 HN HIS 8 -31.775 2.903 4.104 48 HA HIS 8 HA HIS 8 -28.976 2.675 3.272 49 HB2 HIS 8 2HB HIS 8 -30.692 1.602 1.935 50 HB3 HIS 8 3HB HIS 8 -31.574 3.131 1.764 51 HD1 HIS 8 1HD HIS 8 -28.441 1.368 0.562 52 HD2 HIS 8 2HD HIS 8 -30.720 4.760 -0.291 53 HE1 HIS 8 1HE HIS 8 -27.555 2.280 -1.627 54 HE2 HIS 8 2HE HIS 8 -28.957 4.332 -2.155 55 H HIS 9 HN HIS 9 -27.641 4.343 3.331 56 HA HIS 9 HA HIS 9 -28.750 7.069 2.921 57 HB2 HIS 9 2HB HIS 9 -26.131 6.053 4.055 58 HB3 HIS 9 3HB HIS 9 -26.360 7.744 3.576 59 HD1 HIS 9 1HD HIS 9 -27.780 9.245 5.100 60 HD2 HIS 9 2HD HIS 9 -27.492 5.288 6.404 61 HE1 HIS 9 1HE HIS 9 -28.589 9.233 7.499 62 HE2 HIS 9 2HE HIS 9 -28.410 6.825 8.293 63 H HIS 10 HN HIS 10 -27.575 8.528 1.514 64 HA HIS 10 HA HIS 10 -26.003 7.131 -0.600 65 HB2 HIS 10 2HB HIS 10 -28.051 8.147 -1.474 66 HB3 HIS 10 3HB HIS 10 -27.622 9.699 -0.734 67 HD1 HIS 10 1HD HIS 10 -25.877 7.280 -3.159 68 HD2 HIS 10 2HD HIS 10 -26.588 11.360 -2.600 69 HE1 HIS 10 1HE HIS 10 -24.778 8.462 -5.110 70 HE2 HIS 10 2HE HIS 10 -25.219 10.940 -4.773 71 H SER 11 HN SER 11 -23.919 7.326 -0.055 72 HA SER 11 HA SER 11 -22.863 9.157 1.777 73 HB2 SER 11 2HB SER 11 -21.386 7.850 -0.535 74 HB3 SER 11 3HB SER 11 -20.692 8.413 1.005 75 HG SER 11 HG SER 11 -21.091 6.142 0.985 76 H SER 12 HN SER 12 -22.797 11.292 1.682 77 HA SER 12 HA SER 12 -22.776 12.628 -0.929 78 HB2 SER 12 2HB SER 12 -24.275 13.326 0.993 79 HB3 SER 12 3HB SER 12 -22.810 13.885 1.835 80 HG SER 12 HG SER 12 -23.852 15.561 0.656 81 H GLY 13 HN GLY 13 -20.697 12.059 -1.647 82 HA2 GLY 13 1HA GLY 13 -18.581 13.702 -0.343 83 HA3 GLY 13 2HA GLY 13 -18.254 12.063 -0.950 84 H ARG 14 HN ARG 14 -18.652 15.408 -1.740 85 HA ARG 14 HA ARG 14 -18.836 14.834 -4.624 86 HB2 ARG 14 2HB ARG 14 -18.865 17.445 -3.078 87 HB3 ARG 14 3HB ARG 14 -19.088 17.286 -4.837 88 HG2 ARG 14 2HG ARG 14 -21.139 16.087 -4.540 89 HG3 ARG 14 3HG ARG 14 -20.878 15.968 -2.783 90 HD2 ARG 14 2HD ARG 14 -21.032 18.423 -2.607 91 HD3 ARG 14 3HD ARG 14 -21.324 18.523 -4.357 92 HE ARG 14 HE ARG 14 -23.359 17.055 -3.854 93 HH11 ARG 14 2HH1 ARG 14 -22.022 19.408 -1.601 94 HH12 ARG 14 1HH1 ARG 14 -23.541 19.657 -0.772 95 HH21 ARG 14 2HH2 ARG 14 -25.320 17.370 -2.768 96 HH22 ARG 14 1HH2 ARG 14 -25.414 18.500 -1.435 97 H GLU 15 HN GLU 15 -16.828 14.017 -5.168 98 HA GLU 15 HA GLU 15 -14.414 15.499 -4.495 99 HB2 GLU 15 2HB GLU 15 -14.595 12.988 -4.880 100 HB3 GLU 15 3HB GLU 15 -14.739 13.360 -6.614 101 HG2 GLU 15 2HG GLU 15 -12.409 14.367 -4.994 102 HG3 GLU 15 3HG GLU 15 -12.429 12.714 -5.648 103 HE2 GLU 15 2HE GLU 15 -11.737 15.718 -8.105 104 H ASN 16 HN ASN 16 -14.319 17.496 -5.292 105 HA ASN 16 HA ASN 16 -14.114 17.759 -8.207 106 HB2 ASN 16 2HB ASN 16 -16.526 18.200 -7.680 107 HB3 ASN 16 3HB ASN 16 -16.007 19.528 -6.617 108 HD21 ASN 16 1HD2 ASN 16 -15.229 21.459 -7.510 109 HD22 ASN 16 2HD2 ASN 16 -15.392 21.830 -9.214 110 H LEU 17 HN LEU 17 -12.214 18.662 -8.447 111 HA LEU 17 HA LEU 17 -10.390 19.982 -8.178 112 HB2 LEU 17 2HB LEU 17 -12.192 21.708 -6.463 113 HB3 LEU 17 3HB LEU 17 -10.567 22.152 -7.040 114 HG LEU 17 HG LEU 17 -13.009 21.641 -8.764 115 HD11 LEU 17 1HD1 LEU 17 -12.880 24.051 -9.241 116 HD12 LEU 17 2HD1 LEU 17 -13.120 23.742 -7.505 117 HD13 LEU 17 3HD1 LEU 17 -11.510 24.198 -8.114 118 HD21 LEU 17 3HD2 LEU 17 -10.935 20.948 -9.880 119 HD22 LEU 17 1HD2 LEU 17 -11.603 22.414 -10.633 120 HD23 LEU 17 2HD2 LEU 17 -10.210 22.536 -9.533 121 H TYR 18 HN TYR 18 -9.979 17.878 -6.966 122 HA TYR 18 HA TYR 18 -9.654 18.180 -4.064 123 HB2 TYR 18 2HB TYR 18 -10.186 16.056 -5.696 124 HB3 TYR 18 3HB TYR 18 -8.432 15.893 -5.510 125 HD1 TYR 18 1HD TYR 18 -11.605 16.165 -3.579 126 HD2 TYR 18 2HD TYR 18 -7.526 14.937 -3.548 127 HE1 TYR 18 1HE TYR 18 -11.960 15.053 -1.419 128 HE2 TYR 18 2HE TYR 18 -7.877 13.827 -1.384 129 HH TYR 18 HH TYR 18 -9.348 13.326 0.278 130 H PHE 19 HN PHE 19 -7.419 17.455 -3.161 131 HA PHE 19 HA PHE 19 -5.402 19.090 -4.560 132 HB2 PHE 19 2HB PHE 19 -4.102 18.928 -2.501 133 HB3 PHE 19 3HB PHE 19 -5.744 19.512 -2.178 134 HD1 PHE 19 2HD PHE 19 -7.379 18.035 -1.033 135 HD2 PHE 19 1HD PHE 19 -3.318 16.857 -1.578 136 HE1 PHE 19 2HE PHE 19 -7.654 16.293 0.676 137 HE2 PHE 19 1HE PHE 19 -3.594 15.121 0.138 138 HZ PHE 19 HZ PHE 19 -5.764 14.828 1.260 139 H GLN 20 HN GLN 20 -3.563 18.327 -5.459 140 HA GLN 20 HA GLN 20 -3.424 15.402 -5.779 141 HB2 GLN 20 2HB GLN 20 -3.301 16.757 -7.793 142 HB3 GLN 20 3HB GLN 20 -1.923 17.668 -7.129 143 HG2 GLN 20 2HG GLN 20 -1.141 16.051 -8.749 144 HG3 GLN 20 3HG GLN 20 -0.583 15.598 -7.124 145 HE21 GLN 20 1HE2 GLN 20 -1.561 13.802 -6.050 146 HE22 GLN 20 2HE2 GLN 20 -2.412 12.569 -6.959 147 H GLY 21 HN GLY 21 -1.482 18.135 -4.535 148 HA2 GLY 21 1HA GLY 21 -0.237 16.703 -2.516 149 HA3 GLY 21 2HA GLY 21 0.799 16.474 -3.944 150 H HIS 22 HN HIS 22 2.367 17.587 -2.494 151 HA HIS 22 HA HIS 22 3.597 19.407 -1.893 152 HB2 HIS 22 2HB HIS 22 2.676 19.924 -4.492 153 HB3 HIS 22 3HB HIS 22 2.397 21.429 -3.597 154 HD1 HIS 22 1HD HIS 22 5.229 18.951 -4.264 155 HD2 HIS 22 2HD HIS 22 4.627 22.976 -3.325 156 HE1 HIS 22 1HE HIS 22 7.512 20.045 -4.353 157 HE2 HIS 22 2HE HIS 22 7.144 22.490 -3.773 158 H MET 23 HN MET 23 2.895 19.706 0.175 159 HA MET 23 HA MET 23 0.288 20.860 0.671 160 HB2 MET 23 2HB MET 23 2.552 20.056 2.513 161 HB3 MET 23 3HB MET 23 0.993 20.701 3.078 162 HG2 MET 23 2HG MET 23 1.407 18.166 1.472 163 HG3 MET 23 3HG MET 23 1.048 18.261 3.203 164 HE1 MET 23 3HE MET 23 -0.985 16.555 2.765 165 HE2 MET 23 1HE MET 23 -2.280 16.852 1.585 166 HE3 MET 23 2HE MET 23 -0.621 16.549 1.023 167 H ALA 24 HN ALA 24 0.224 22.915 -0.109 168 HA ALA 24 HA ALA 24 2.064 24.888 1.102 169 HB1 ALA 24 1HB ALA 24 0.983 26.496 -0.415 170 HB2 ALA 24 2HB ALA 24 1.595 25.080 -1.302 171 HB3 ALA 24 3HB ALA 24 -0.145 25.230 -0.955 172 H ALA 25 HN ALA 25 -0.401 23.228 2.209 173 HA ALA 25 HA ALA 25 -2.120 25.404 3.141 174 HB1 ALA 25 1HB ALA 25 -3.380 23.598 4.248 175 HB2 ALA 25 2HB ALA 25 -3.085 23.226 2.534 176 HB3 ALA 25 3HB ALA 25 -2.110 22.437 3.797 177 H ARG 26 HN ARG 26 -2.589 25.715 5.439 178 HA ARG 26 HA ARG 26 -0.067 25.513 6.999 179 HB2 ARG 26 2HB ARG 26 -0.966 27.349 8.351 180 HB3 ARG 26 3HB ARG 26 -0.887 27.787 6.629 181 HG2 ARG 26 2HG ARG 26 -3.233 27.598 6.369 182 HG3 ARG 26 3HG ARG 26 -3.417 26.771 7.935 183 HD2 ARG 26 2HD ARG 26 -2.571 29.654 7.509 184 HD3 ARG 26 3HD ARG 26 -4.153 29.096 8.094 185 HE ARG 26 HE ARG 26 -1.660 28.465 9.590 186 HH11 ARG 26 2HH1 ARG 26 -4.823 30.008 9.425 187 HH12 ARG 26 1HH1 ARG 26 -4.905 30.298 11.148 188 HH21 ARG 26 2HH2 ARG 26 -1.792 28.821 11.819 189 HH22 ARG 26 1HH2 ARG 26 -3.189 29.625 12.501 190 H ILE 27 HN ILE 27 -2.325 23.503 6.579 191 HA ILE 27 HA ILE 27 -3.670 23.338 9.135 192 HB ILE 27 HB ILE 27 -3.386 21.237 6.950 193 HG12 ILE 27 2HG1 ILE 27 -4.404 23.259 6.072 194 HG13 ILE 27 3HG1 ILE 27 -5.633 21.984 6.243 195 HG21 ILE 27 1HG2 ILE 27 -5.391 20.229 7.964 196 HG22 ILE 27 2HG2 ILE 27 -4.041 20.293 9.120 197 HG23 ILE 27 3HG2 ILE 27 -5.370 21.471 9.237 198 HD11 ILE 27 3HD1 ILE 27 -5.203 24.307 8.143 199 HD12 ILE 27 1HD1 ILE 27 -6.514 24.172 6.954 200 HD13 ILE 27 2HD1 ILE 27 -6.433 23.032 8.312 201 H THR 28 HN THR 28 -2.948 22.480 10.965 202 HA THR 28 HA THR 28 -0.296 21.320 11.033 203 HB THR 28 HB THR 28 -0.982 21.006 13.537 204 HG1 THR 28 1HG THR 28 -2.704 22.439 14.108 205 HG21 THR 28 3HG2 THR 28 -0.829 23.770 12.287 206 HG22 THR 28 1HG2 THR 28 -0.501 23.380 13.991 207 HG23 THR 28 2HG2 THR 28 0.557 22.738 12.715 208 H GLY 29 HN GLY 29 -0.064 19.342 10.215 209 HA2 GLY 29 1HA GLY 29 -0.797 17.033 11.524 210 HA3 GLY 29 2HA GLY 29 -2.145 17.340 10.405 211 H GLU 30 HN GLU 30 -1.167 15.112 9.714 212 HA GLU 30 HA GLU 30 0.549 15.667 7.391 213 HB2 GLU 30 2HB GLU 30 2.046 13.747 7.987 214 HB3 GLU 30 3HB GLU 30 2.225 15.184 9.020 215 HG2 GLU 30 2HG GLU 30 0.693 14.038 10.674 216 HG3 GLU 30 3HG GLU 30 0.855 12.571 9.683 217 HE2 GLU 30 2HE GLU 30 3.966 11.905 11.000 218 HA PRO 31 HA PRO 31 -2.158 12.696 5.581 219 HB2 PRO 31 2HB PRO 31 0.010 12.039 3.645 220 HB3 PRO 31 3HB PRO 31 -1.574 12.842 3.387 221 HG2 PRO 31 2HG PRO 31 0.773 14.143 3.243 222 HG3 PRO 31 3HG PRO 31 -0.763 14.938 3.720 223 HD2 PRO 31 2HD PRO 31 1.568 14.000 5.391 224 HD3 PRO 31 3HD PRO 31 0.516 15.433 5.596 225 H SER 32 HN SER 32 -2.611 10.618 6.002 226 HA SER 32 HA SER 32 -0.521 8.934 7.163 227 HB2 SER 32 2HB SER 32 -3.444 8.314 6.606 228 HB3 SER 32 3HB SER 32 -2.342 7.411 7.674 229 HG SER 32 HG SER 32 -3.687 8.884 8.824 230 H LYS 33 HN LYS 33 -2.504 9.121 4.236 231 HA LYS 33 HA LYS 33 -2.209 8.271 2.152 232 HB2 LYS 33 2HB LYS 33 0.543 7.565 3.212 233 HB3 LYS 33 3HB LYS 33 0.047 7.403 1.511 234 HG2 LYS 33 2HG LYS 33 -0.293 9.787 1.332 235 HG3 LYS 33 3HG LYS 33 0.036 10.001 3.068 236 HD2 LYS 33 2HD LYS 33 2.003 10.621 1.804 237 HD3 LYS 33 3HD LYS 33 2.332 9.117 2.700 238 HE2 LYS 33 2HE LYS 33 1.884 7.817 0.645 239 HE3 LYS 33 3HE LYS 33 1.605 9.332 -0.241 240 HZ1 LYS 33 3HZ LYS 33 4.126 8.551 1.065 241 HZ2 LYS 33 1HZ LYS 33 3.834 8.516 -0.557 242 HZ3 LYS 33 2HZ LYS 33 3.867 9.958 0.243 243 H LYS 34 HN LYS 34 -1.553 6.192 0.892 244 HA LYS 34 HA LYS 34 -2.831 3.956 2.289 245 HB2 LYS 34 2HB LYS 34 -3.481 4.447 -0.001 246 HB3 LYS 34 3HB LYS 34 -1.794 4.291 -0.545 247 HG2 LYS 34 2HG LYS 34 -1.846 1.899 0.132 248 HG3 LYS 34 3HG LYS 34 -3.571 2.087 0.532 249 HD2 LYS 34 2HD LYS 34 -2.357 2.617 -2.203 250 HD3 LYS 34 3HD LYS 34 -3.176 1.109 -1.731 251 HE2 LYS 34 2HE LYS 34 -4.456 3.861 -1.662 252 HE3 LYS 34 3HE LYS 34 -4.629 2.703 -2.999 253 HZ1 LYS 34 3HZ LYS 34 -5.466 2.238 -0.212 254 HZ2 LYS 34 1HZ LYS 34 -6.473 2.578 -1.473 255 HZ3 LYS 34 2HZ LYS 34 -5.625 1.164 -1.453 256 H ALA 35 HN ALA 35 -1.343 3.290 3.839 257 HA ALA 35 HA ALA 35 1.312 2.443 2.875 258 HB1 ALA 35 1HB ALA 35 1.787 1.994 5.246 259 HB2 ALA 35 2HB ALA 35 1.180 3.649 5.007 260 HB3 ALA 35 3HB ALA 35 0.102 2.390 5.658 261 H VAL 36 HN VAL 36 1.253 0.574 1.764 262 HA VAL 36 HA VAL 36 -0.668 -1.500 2.512 263 HB VAL 36 HB VAL 36 1.580 -1.702 0.487 264 HG11 VAL 36 1HG1 VAL 36 0.132 -3.377 -0.577 265 HG12 VAL 36 2HG1 VAL 36 0.517 -3.815 1.102 266 HG13 VAL 36 3HG1 VAL 36 -1.080 -3.138 0.702 267 HG21 VAL 36 3HG2 VAL 36 0.266 0.296 -0.014 268 HG22 VAL 36 1HG2 VAL 36 -0.015 -0.970 -1.231 269 HG23 VAL 36 2HG2 VAL 36 -1.230 -0.666 0.030 270 H SER 37 HN SER 37 -0.273 -2.913 4.077 271 HA SER 37 HA SER 37 2.477 -3.975 4.358 272 HB2 SER 37 2HB SER 37 0.839 -2.961 6.707 273 HB3 SER 37 3HB SER 37 2.472 -3.665 6.762 274 HG SER 37 HG SER 37 2.493 -1.364 6.801 275 H ASP 38 HN ASP 38 2.047 -5.962 3.749 276 HA ASP 38 HA ASP 38 1.203 -8.082 3.710 277 HB2 ASP 38 2HB ASP 38 2.507 -8.158 5.749 278 HB3 ASP 38 3HB ASP 38 1.145 -7.513 6.690 279 HD2 ASP 38 2HD ASP 38 0.113 -10.718 7.304 280 H ARG 39 HN ARG 39 -0.753 -7.176 2.589 281 HA ARG 39 HA ARG 39 -3.046 -8.365 4.016 282 HB2 ARG 39 2HB ARG 39 -3.017 -5.808 4.232 283 HB3 ARG 39 3HB ARG 39 -3.355 -5.779 2.485 284 HG2 ARG 39 2HG ARG 39 -5.419 -6.924 2.782 285 HG3 ARG 39 3HG ARG 39 -5.046 -7.280 4.486 286 HD2 ARG 39 2HD ARG 39 -5.044 -4.795 4.912 287 HD3 ARG 39 3HD ARG 39 -5.641 -4.572 3.253 288 HE ARG 39 HE ARG 39 -7.401 -6.381 4.350 289 HH11 ARG 39 2HH1 ARG 39 -6.279 -3.162 5.270 290 HH12 ARG 39 1HH1 ARG 39 -7.772 -2.741 6.077 291 HH21 ARG 39 2HH2 ARG 39 -9.327 -5.826 5.410 292 HH22 ARG 39 1HH2 ARG 39 -9.502 -4.252 6.157 293 H LEU 40 HN LEU 40 -1.239 -7.700 1.128 294 HA LEU 40 HA LEU 40 -3.361 -8.852 -0.579 295 HB2 LEU 40 2HB LEU 40 -0.667 -7.616 -1.225 296 HB3 LEU 40 3HB LEU 40 -1.807 -8.259 -2.430 297 HG LEU 40 HG LEU 40 -2.339 -5.939 -0.559 298 HD11 LEU 40 1HD1 LEU 40 -2.188 -4.549 -2.585 299 HD12 LEU 40 2HD1 LEU 40 -0.659 -5.398 -2.262 300 HD13 LEU 40 3HD1 LEU 40 -1.753 -5.987 -3.536 301 HD21 LEU 40 3HD2 LEU 40 -4.363 -7.194 -1.146 302 HD22 LEU 40 1HD2 LEU 40 -4.353 -5.598 -1.931 303 HD23 LEU 40 2HD2 LEU 40 -3.955 -7.054 -2.873 304 H ILE 41 HN ILE 41 -0.983 -10.027 1.385 305 HA ILE 41 HA ILE 41 0.392 -11.807 -0.396 306 HB ILE 41 HB ILE 41 0.021 -12.029 2.617 307 HG12 ILE 41 2HG1 ILE 41 1.013 -9.891 2.015 308 HG13 ILE 41 3HG1 ILE 41 2.237 -10.952 2.752 309 HG21 ILE 41 1HG2 ILE 41 2.057 -13.411 2.536 310 HG22 ILE 41 2HG2 ILE 41 0.747 -14.128 1.569 311 HG23 ILE 41 3HG2 ILE 41 2.083 -13.269 0.764 312 HD11 ILE 41 3HD1 ILE 41 1.902 -10.412 -0.210 313 HD12 ILE 41 1HD1 ILE 41 3.164 -9.723 0.832 314 HD13 ILE 41 2HD1 ILE 41 3.127 -11.472 0.528 315 H GLY 42 HN GLY 42 -0.467 -13.459 -1.449 316 HA2 GLY 42 1HA GLY 42 -1.375 -15.666 -1.360 317 HA3 GLY 42 2HA GLY 42 -2.340 -15.193 0.057 318 H ARG 43 HN ARG 43 -2.647 -12.611 -1.912 319 HA ARG 43 HA ARG 43 -5.296 -13.415 -2.768 320 HB2 ARG 43 2HB ARG 43 -3.669 -10.949 -3.470 321 HB3 ARG 43 3HB ARG 43 -5.403 -11.185 -3.799 322 HG2 ARG 43 2HG ARG 43 -4.249 -11.252 -1.009 323 HG3 ARG 43 3HG ARG 43 -4.793 -9.750 -1.792 324 HD2 ARG 43 2HD ARG 43 -7.036 -10.713 -2.079 325 HD3 ARG 43 3HD ARG 43 -6.493 -12.213 -1.297 326 HE ARG 43 HE ARG 43 -6.034 -10.773 0.730 327 HH11 ARG 43 2HH1 ARG 43 -8.422 -9.836 -1.687 328 HH12 ARG 43 1HH1 ARG 43 -9.374 -8.892 -0.564 329 HH21 ARG 43 2HH2 ARG 43 -7.292 -9.532 2.184 330 HH22 ARG 43 1HH2 ARG 43 -8.736 -8.720 1.623 331 H LYS 44 HN LYS 44 -6.064 -13.434 -4.952 332 HA LYS 44 HA LYS 44 -4.035 -14.430 -6.846 333 HB2 LYS 44 2HB LYS 44 -6.994 -14.651 -6.514 334 HB3 LYS 44 3HB LYS 44 -6.328 -14.743 -8.163 335 HG2 LYS 44 2HG LYS 44 -4.784 -16.563 -7.287 336 HG3 LYS 44 3HG LYS 44 -5.793 -16.575 -5.821 337 HD2 LYS 44 2HD LYS 44 -6.547 -18.305 -7.361 338 HD3 LYS 44 3HD LYS 44 -7.786 -17.034 -7.226 339 HE2 LYS 44 2HE LYS 44 -6.951 -16.021 -9.320 340 HE3 LYS 44 3HE LYS 44 -5.753 -17.325 -9.462 341 HZ1 LYS 44 3HZ LYS 44 -8.676 -17.675 -9.487 342 HZ2 LYS 44 1HZ LYS 44 -7.690 -17.749 -10.805 343 HZ3 LYS 44 2HZ LYS 44 -7.564 -18.885 -9.619 344 H GLY 45 HN GLY 45 -3.883 -13.602 -8.976 345 HA2 GLY 45 1HA GLY 45 -5.315 -11.081 -9.509 346 HA3 GLY 45 2HA GLY 45 -3.537 -11.041 -9.484 347 H VAL 46 HN VAL 46 -4.742 -10.276 -11.742 348 HA VAL 46 HA VAL 46 -4.326 -12.603 -13.552 349 HB VAL 46 HB VAL 46 -6.700 -11.950 -13.514 350 HG11 VAL 46 1HG1 VAL 46 -7.431 -9.744 -14.305 351 HG12 VAL 46 2HG1 VAL 46 -6.439 -9.618 -12.834 352 HG13 VAL 46 3HG1 VAL 46 -5.734 -9.227 -14.420 353 HG21 VAL 46 3HG2 VAL 46 -5.747 -12.787 -15.604 354 HG22 VAL 46 1HG2 VAL 46 -7.028 -11.595 -15.922 355 HG23 VAL 46 2HG2 VAL 46 -5.319 -11.127 -16.083 356 H VAL 47 HN VAL 47 -3.144 -12.229 -15.436 357 HA VAL 47 HA VAL 47 -1.307 -9.965 -15.186 358 HB VAL 47 HB VAL 47 -1.368 -12.215 -17.231 359 HG11 VAL 47 1HG1 VAL 47 0.981 -11.610 -17.650 360 HG12 VAL 47 2HG1 VAL 47 -0.114 -10.252 -17.998 361 HG13 VAL 47 3HG1 VAL 47 0.839 -10.265 -16.494 362 HG21 VAL 47 3HG2 VAL 47 -1.119 -13.064 -14.947 363 HG22 VAL 47 1HG2 VAL 47 0.393 -13.252 -15.865 364 HG23 VAL 47 2HG2 VAL 47 0.236 -11.943 -14.672 365 H MET 48 HN MET 48 -1.786 -8.072 -16.010 366 HA MET 48 HA MET 48 -3.567 -7.902 -18.367 367 HB2 MET 48 2HB MET 48 -2.467 -5.753 -16.520 368 HB3 MET 48 3HB MET 48 -3.669 -5.510 -17.810 369 HG2 MET 48 2HG MET 48 -4.036 -7.213 -15.335 370 HG3 MET 48 3HG MET 48 -4.699 -5.590 -15.588 371 HE1 MET 48 3HE MET 48 -5.450 -5.798 -18.738 372 HE2 MET 48 1HE MET 48 -7.168 -6.242 -18.624 373 HE3 MET 48 2HE MET 48 -6.493 -5.022 -17.521 374 H GLU 49 HN GLU 49 -0.292 -7.160 -17.260 375 HA GLU 49 HA GLU 49 0.419 -6.581 -20.098 376 HB2 GLU 49 2HB GLU 49 0.609 -4.552 -18.760 377 HB3 GLU 49 3HB GLU 49 1.616 -5.409 -17.567 378 HG2 GLU 49 2HG GLU 49 2.975 -4.001 -19.016 379 HG3 GLU 49 3HG GLU 49 3.360 -5.721 -19.250 380 HE2 GLU 49 2HE GLU 49 1.968 -3.653 -22.298 381 H ALA 50 HN ALA 50 2.064 -7.742 -20.938 382 HA ALA 50 HA ALA 50 2.504 -10.273 -19.795 383 HB1 ALA 50 1HB ALA 50 4.103 -10.611 -21.631 384 HB2 ALA 50 2HB ALA 50 2.617 -9.814 -22.198 385 HB3 ALA 50 3HB ALA 50 4.100 -8.862 -21.951 386 H ILE 51 HN ILE 51 3.998 -11.189 -18.578 387 HA ILE 51 HA ILE 51 6.177 -9.438 -17.555 388 HB ILE 51 HB ILE 51 4.878 -11.864 -16.238 389 HG12 ILE 51 2HG1 ILE 51 4.642 -8.932 -15.506 390 HG13 ILE 51 3HG1 ILE 51 3.411 -9.855 -16.402 391 HG21 ILE 51 1HG2 ILE 51 6.151 -11.192 -14.238 392 HG22 ILE 51 2HG2 ILE 51 7.231 -11.560 -15.602 393 HG23 ILE 51 3HG2 ILE 51 6.899 -9.868 -15.161 394 HD11 ILE 51 3HD1 ILE 51 4.365 -10.430 -13.588 395 HD12 ILE 51 1HD1 ILE 51 2.823 -9.665 -14.023 396 HD13 ILE 51 2HD1 ILE 51 3.133 -11.351 -14.484 397 H SER 52 HN SER 52 8.266 -10.147 -17.672 398 HA SER 52 HA SER 52 8.673 -12.927 -18.651 399 HB2 SER 52 2HB SER 52 10.733 -11.947 -19.824 400 HB3 SER 52 3HB SER 52 9.144 -11.593 -20.547 401 HG SER 52 HG SER 52 10.482 -9.732 -20.385 402 HA PRO 53 HA PRO 53 11.623 -13.463 -15.397 403 HB2 PRO 53 2HB PRO 53 13.726 -14.363 -17.321 404 HB3 PRO 53 3HB PRO 53 12.889 -15.255 -16.011 405 HG2 PRO 53 2HG PRO 53 12.425 -15.696 -18.621 406 HG3 PRO 53 3HG PRO 53 11.196 -15.970 -17.343 407 HD2 PRO 53 2HD PRO 53 11.478 -13.753 -19.354 408 HD3 PRO 53 3HD PRO 53 10.004 -14.469 -18.635 409 H GLN 54 HN GLN 54 11.985 -11.129 -17.713 410 HA GLN 54 HA GLN 54 14.426 -10.045 -16.405 411 HB2 GLN 54 2HB GLN 54 15.020 -10.973 -18.599 412 HB3 GLN 54 3HB GLN 54 13.746 -9.991 -19.364 413 HG2 GLN 54 2HG GLN 54 14.914 -7.951 -18.744 414 HG3 GLN 54 3HG GLN 54 16.159 -8.897 -17.902 415 HE21 GLN 54 1HE2 GLN 54 17.688 -10.076 -19.095 416 HE22 GLN 54 2HE2 GLN 54 17.946 -9.787 -20.803 417 H ASN 55 HN ASN 55 11.625 -9.275 -18.532 418 HA ASN 55 HA ASN 55 11.668 -6.507 -17.460 419 HB2 ASN 55 2HB ASN 55 11.639 -6.774 -19.902 420 HB3 ASN 55 3HB ASN 55 10.155 -7.744 -19.789 421 HD21 ASN 55 1HD2 ASN 55 8.934 -6.386 -21.070 422 HD22 ASN 55 2HD2 ASN 55 8.427 -4.795 -20.546 423 H SER 56 HN SER 56 10.125 -5.742 -16.131 424 HA SER 56 HA SER 56 8.339 -7.648 -14.888 425 HB2 SER 56 2HB SER 56 8.452 -4.628 -14.570 426 HB3 SER 56 3HB SER 56 7.748 -5.804 -13.435 427 HG SER 56 HG SER 56 9.868 -5.142 -12.829 428 H GLY 57 HN GLY 57 5.982 -7.159 -14.546 429 HA2 GLY 57 1HA GLY 57 4.809 -5.815 -16.925 430 HA3 GLY 57 2HA GLY 57 4.295 -7.455 -16.468 431 H LEU 58 HN LEU 58 2.142 -6.493 -16.341 432 HA LEU 58 HA LEU 58 1.732 -5.124 -13.730 433 HB2 LEU 58 2HB LEU 58 0.402 -4.503 -16.383 434 HB3 LEU 58 3HB LEU 58 -0.139 -3.872 -14.809 435 HG LEU 58 HG LEU 58 2.553 -3.341 -16.079 436 HD11 LEU 58 1HD1 LEU 58 1.680 -1.070 -16.463 437 HD12 LEU 58 2HD1 LEU 58 0.716 -2.291 -17.323 438 HD13 LEU 58 3HD1 LEU 58 0.100 -1.570 -15.817 439 HD21 LEU 58 3HD2 LEU 58 2.594 -3.287 -13.626 440 HD22 LEU 58 1HD2 LEU 58 2.781 -1.652 -14.302 441 HD23 LEU 58 2HD2 LEU 58 1.216 -2.158 -13.623 442 H VAL 59 HN VAL 59 0.252 -6.051 -12.463 443 HA VAL 59 HA VAL 59 -1.722 -7.855 -13.769 444 HB VAL 59 HB VAL 59 -1.683 -9.280 -11.753 445 HG11 VAL 59 1HG1 VAL 59 0.477 -10.383 -12.156 446 HG12 VAL 59 2HG1 VAL 59 -0.298 -9.888 -13.679 447 HG13 VAL 59 3HG1 VAL 59 1.053 -8.938 -13.017 448 HG21 VAL 59 3HG2 VAL 59 -0.943 -7.607 -10.126 449 HG22 VAL 59 1HG2 VAL 59 0.099 -9.048 -10.076 450 HG23 VAL 59 2HG2 VAL 59 0.667 -7.569 -10.886 451 H LYS 60 HN LYS 60 -3.795 -7.975 -12.717 452 HA LYS 60 HA LYS 60 -4.305 -5.610 -10.985 453 HB2 LYS 60 2HB LYS 60 -5.590 -5.703 -13.091 454 HB3 LYS 60 3HB LYS 60 -6.260 -7.277 -12.601 455 HG2 LYS 60 2HG LYS 60 -7.414 -6.272 -10.739 456 HG3 LYS 60 3HG LYS 60 -6.627 -4.704 -11.041 457 HD2 LYS 60 2HD LYS 60 -8.922 -4.694 -11.877 458 HD3 LYS 60 3HD LYS 60 -7.762 -4.558 -13.221 459 HE2 LYS 60 2HE LYS 60 -9.549 -6.094 -13.811 460 HE3 LYS 60 3HE LYS 60 -8.012 -6.972 -13.660 461 HZ1 LYS 60 3HZ LYS 60 -10.135 -6.872 -11.623 462 HZ2 LYS 60 1HZ LYS 60 -9.815 -8.149 -12.612 463 HZ3 LYS 60 2HZ LYS 60 -8.708 -7.688 -11.483 464 H VAL 61 HN VAL 61 -4.559 -5.963 -8.905 465 HA VAL 61 HA VAL 61 -5.428 -8.677 -8.043 466 HB VAL 61 HB VAL 61 -3.462 -6.820 -6.647 467 HG11 VAL 61 1HG1 VAL 61 -3.129 -8.684 -5.077 468 HG12 VAL 61 2HG1 VAL 61 -4.816 -8.122 -5.073 469 HG13 VAL 61 3HG1 VAL 61 -4.378 -9.621 -5.927 470 HG21 VAL 61 3HG2 VAL 61 -2.491 -7.861 -8.639 471 HG22 VAL 61 1HG2 VAL 61 -1.772 -8.532 -7.157 472 HG23 VAL 61 2HG2 VAL 61 -2.992 -9.466 -8.054 473 H ASP 62 HN ASP 62 -7.268 -8.686 -6.989 474 HA ASP 62 HA ASP 62 -8.973 -8.123 -5.599 475 HB2 ASP 62 2HB ASP 62 -7.215 -7.503 -3.974 476 HB3 ASP 62 3HB ASP 62 -7.201 -5.855 -4.637 477 HD2 ASP 62 2HD ASP 62 -10.257 -6.944 -2.343 478 H GLY 63 HN GLY 63 -7.745 -4.809 -6.123 479 HA2 GLY 63 1HA GLY 63 -9.998 -4.344 -7.976 480 HA3 GLY 63 2HA GLY 63 -9.923 -3.381 -6.483 481 H GLU 64 HN GLU 64 -6.767 -3.929 -7.215 482 HA GLU 64 HA GLU 64 -6.630 -1.556 -9.006 483 HB2 GLU 64 2HB GLU 64 -5.034 -2.145 -6.502 484 HB3 GLU 64 3HB GLU 64 -4.533 -0.949 -7.721 485 HG2 GLU 64 2HG GLU 64 -6.770 0.168 -7.365 486 HG3 GLU 64 3HG GLU 64 -6.990 -0.908 -5.968 487 HE2 GLU 64 2HE GLU 64 -4.325 2.034 -5.683 488 H THR 65 HN THR 65 -4.771 -1.431 -10.356 489 HA THR 65 HA THR 65 -3.479 -4.055 -10.764 490 HB THR 65 HB THR 65 -4.484 -3.006 -12.759 491 HG1 THR 65 1HG THR 65 -2.584 -3.169 -14.060 492 HG21 THR 65 3HG2 THR 65 -2.439 -0.805 -12.322 493 HG22 THR 65 1HG2 THR 65 -3.497 -0.973 -13.740 494 HG23 THR 65 2HG2 THR 65 -4.202 -0.645 -12.142 495 H TRP 66 HN TRP 66 -1.347 -4.399 -10.465 496 HA TRP 66 HA TRP 66 0.259 -2.085 -9.490 497 HB2 TRP 66 2HB TRP 66 0.309 -4.904 -8.350 498 HB3 TRP 66 3HB TRP 66 1.239 -3.511 -7.779 499 HD1 TRP 66 1HD TRP 66 -2.387 -4.861 -7.830 500 HE1 TRP 66 1HE TRP 66 -3.722 -3.774 -5.940 501 HE3 TRP 66 3HE TRP 66 1.149 -1.528 -6.259 502 HZ2 TRP 66 2HZ TRP 66 -3.295 -1.745 -4.004 503 HZ3 TRP 66 3HZ TRP 66 0.614 -0.041 -4.370 504 HH2 TRP 66 2HH TRP 66 -1.578 -0.156 -3.254 505 H ARG 67 HN ARG 67 2.635 -2.519 -9.588 506 HA ARG 67 HA ARG 67 3.327 -3.869 -12.069 507 HB2 ARG 67 2HB ARG 67 5.065 -2.623 -9.919 508 HB3 ARG 67 3HB ARG 67 5.666 -3.293 -11.454 509 HG2 ARG 67 2HG ARG 67 5.570 -0.975 -11.793 510 HG3 ARG 67 3HG ARG 67 4.119 -1.615 -12.602 511 HD2 ARG 67 2HD ARG 67 2.719 -0.956 -10.778 512 HD3 ARG 67 3HD ARG 67 4.125 -0.547 -9.771 513 HE ARG 67 HE ARG 67 3.350 0.953 -12.233 514 HH11 ARG 67 2HH1 ARG 67 4.659 0.817 -8.963 515 HH12 ARG 67 1HH1 ARG 67 4.875 2.549 -8.843 516 HH21 ARG 67 2HH2 ARG 67 3.613 3.209 -12.062 517 HH22 ARG 67 1HH2 ARG 67 4.281 3.907 -10.602 518 H ALA 68 HN ALA 68 4.379 -5.783 -12.311 519 HA ALA 68 HA ALA 68 4.729 -7.377 -9.832 520 HB1 ALA 68 1HB ALA 68 3.643 -9.296 -10.923 521 HB2 ALA 68 2HB ALA 68 2.535 -7.912 -10.788 522 HB3 ALA 68 3HB ALA 68 3.303 -8.290 -12.349 523 H THR 69 HN THR 69 6.314 -8.887 -9.825 524 HA THR 69 HA THR 69 7.915 -9.109 -12.325 525 HB THR 69 HB THR 69 9.335 -9.491 -9.743 526 HG1 THR 69 1HG THR 69 9.534 -7.202 -9.478 527 HG21 THR 69 3HG2 THR 69 9.961 -7.932 -12.276 528 HG22 THR 69 1HG2 THR 69 11.100 -8.258 -10.950 529 HG23 THR 69 2HG2 THR 69 10.468 -9.602 -11.927 530 H SER 70 HN SER 70 8.933 -11.126 -12.670 531 HA SER 70 HA SER 70 8.349 -13.359 -10.871 532 HB2 SER 70 2HB SER 70 7.106 -13.208 -13.647 533 HB3 SER 70 3HB SER 70 7.101 -14.637 -12.585 534 HG SER 70 HG SER 70 5.157 -13.415 -12.442 535 H GLY 71 HN GLY 71 9.614 -15.198 -11.348 536 HA2 GLY 71 1HA GLY 71 11.903 -14.621 -13.090 537 HA3 GLY 71 2HA GLY 71 11.711 -16.005 -11.990 538 H THR 72 HN THR 72 8.934 -15.615 -13.834 539 HA THR 72 HA THR 72 9.949 -17.393 -15.994 540 HB THR 72 HB THR 72 7.180 -17.768 -14.853 541 HG1 THR 72 1HG THR 72 8.090 -19.375 -13.456 542 HG21 THR 72 3HG2 THR 72 9.172 -19.662 -16.155 543 HG22 THR 72 1HG2 THR 72 7.514 -20.078 -15.666 544 HG23 THR 72 2HG2 THR 72 7.785 -18.892 -16.962 545 H VAL 73 HN VAL 73 8.252 -17.501 -17.820 546 HA VAL 73 HA VAL 73 7.510 -14.726 -18.401 547 HB VAL 73 HB VAL 73 8.675 -15.939 -20.149 548 HG11 VAL 73 1HG1 VAL 73 7.706 -17.904 -21.265 549 HG12 VAL 73 2HG1 VAL 73 8.020 -18.219 -19.544 550 HG13 VAL 73 3HG1 VAL 73 6.361 -17.900 -20.103 551 HG21 VAL 73 3HG2 VAL 73 7.011 -14.277 -20.835 552 HG22 VAL 73 1HG2 VAL 73 7.113 -15.600 -22.019 553 HG23 VAL 73 2HG2 VAL 73 5.755 -15.538 -20.873 554 H LEU 74 HN LEU 74 5.546 -13.905 -18.228 555 HA LEU 74 HA LEU 74 3.237 -15.789 -18.088 556 HB2 LEU 74 2HB LEU 74 3.591 -13.212 -16.532 557 HB3 LEU 74 3HB LEU 74 2.202 -14.323 -16.455 558 HG LEU 74 HG LEU 74 5.028 -14.993 -15.596 559 HD11 LEU 74 1HD1 LEU 74 4.148 -14.870 -13.302 560 HD12 LEU 74 2HD1 LEU 74 4.011 -13.306 -14.139 561 HD13 LEU 74 3HD1 LEU 74 2.573 -14.337 -13.938 562 HD21 LEU 74 3HD2 LEU 74 3.737 -16.932 -16.363 563 HD22 LEU 74 1HD2 LEU 74 3.988 -16.989 -14.602 564 HD23 LEU 74 2HD2 LEU 74 2.411 -16.493 -15.259 565 H ASP 75 HN ASP 75 1.907 -15.464 -19.724 566 HA ASP 75 HA ASP 75 2.122 -12.965 -21.263 567 HB2 ASP 75 2HB ASP 75 2.064 -15.365 -22.215 568 HB3 ASP 75 3HB ASP 75 0.322 -15.316 -21.868 569 HD2 ASP 75 2HD ASP 75 1.686 -12.941 -24.760 570 H VAL 76 HN VAL 76 -0.185 -12.339 -22.260 571 HA VAL 76 HA VAL 76 -1.545 -11.214 -19.974 572 HB VAL 76 HB VAL 76 -2.261 -11.089 -22.928 573 HG11 VAL 76 1HG1 VAL 76 -3.587 -9.107 -22.313 574 HG12 VAL 76 2HG1 VAL 76 -4.168 -10.565 -21.475 575 HG13 VAL 76 3HG1 VAL 76 -3.180 -9.369 -20.601 576 HG21 VAL 76 3HG2 VAL 76 -0.033 -10.177 -22.457 577 HG22 VAL 76 1HG2 VAL 76 -1.173 -8.881 -22.885 578 HG23 VAL 76 2HG2 VAL 76 -0.719 -9.140 -21.184 579 H GLY 77 HN GLY 77 -3.329 -11.877 -18.958 580 HA2 GLY 77 1HA GLY 77 -5.547 -12.838 -19.049 581 HA3 GLY 77 2HA GLY 77 -4.981 -13.938 -20.327 582 H GLU 78 HN GLU 78 -2.425 -13.992 -18.420 583 HA GLU 78 HA GLU 78 -3.087 -16.544 -17.295 584 HB2 GLU 78 2HB GLU 78 -0.771 -14.634 -16.989 585 HB3 GLU 78 3HB GLU 78 -0.855 -16.185 -16.119 586 HG2 GLU 78 2HG GLU 78 -0.892 -15.825 -19.119 587 HG3 GLU 78 3HG GLU 78 0.506 -16.328 -18.143 588 HE2 GLU 78 2HE GLU 78 -2.205 -19.014 -19.094 589 H GLU 79 HN GLU 79 -2.520 -17.009 -14.952 590 HA GLU 79 HA GLU 79 -3.756 -14.920 -13.222 591 HB2 GLU 79 2HB GLU 79 -3.979 -17.935 -13.008 592 HB3 GLU 79 3HB GLU 79 -4.568 -16.777 -11.793 593 HG2 GLU 79 2HG GLU 79 -5.929 -15.786 -13.782 594 HG3 GLU 79 3HG GLU 79 -5.624 -17.365 -14.541 595 HE2 GLU 79 2HE GLU 79 -8.331 -17.115 -11.722 596 H VAL 80 HN VAL 80 -2.669 -14.339 -11.440 597 HA VAL 80 HA VAL 80 -0.277 -15.971 -10.756 598 HB VAL 80 HB VAL 80 0.847 -13.874 -10.042 599 HG11 VAL 80 1HG1 VAL 80 1.364 -13.040 -12.297 600 HG12 VAL 80 2HG1 VAL 80 1.279 -14.816 -12.263 601 HG13 VAL 80 3HG1 VAL 80 -0.073 -13.872 -12.933 602 HG21 VAL 80 3HG2 VAL 80 -1.152 -12.518 -9.617 603 HG22 VAL 80 1HG2 VAL 80 -0.055 -11.696 -10.751 604 HG23 VAL 80 2HG2 VAL 80 -1.519 -12.502 -11.358 605 H SER 81 HN SER 81 0.375 -15.973 -8.567 606 HA SER 81 HA SER 81 -1.730 -15.059 -6.660 607 HB2 SER 81 2HB SER 81 -1.411 -17.529 -6.737 608 HB3 SER 81 3HB SER 81 0.304 -17.298 -6.320 609 HG SER 81 HG SER 81 -1.004 -17.758 -4.485 610 H VAL 82 HN VAL 82 -1.125 -13.545 -5.189 611 HA VAL 82 HA VAL 82 1.450 -12.314 -5.508 612 HB VAL 82 HB VAL 82 -0.564 -11.890 -3.269 613 HG11 VAL 82 1HG1 VAL 82 0.520 -9.691 -3.032 614 HG12 VAL 82 2HG1 VAL 82 1.676 -11.017 -2.767 615 HG13 VAL 82 3HG1 VAL 82 1.680 -10.126 -4.308 616 HG21 VAL 82 3HG2 VAL 82 -1.584 -11.548 -5.471 617 HG22 VAL 82 1HG2 VAL 82 -1.386 -10.003 -4.612 618 HG23 VAL 82 2HG2 VAL 82 -0.262 -10.445 -5.919 619 H LYS 83 HN LYS 83 3.206 -13.347 -4.940 620 HA LYS 83 HA LYS 83 3.257 -15.215 -2.713 621 HB2 LYS 83 2HB LYS 83 4.521 -15.337 -4.955 622 HB3 LYS 83 3HB LYS 83 5.634 -14.148 -4.236 623 HG2 LYS 83 2HG LYS 83 6.269 -15.659 -2.513 624 HG3 LYS 83 3HG LYS 83 4.964 -16.793 -2.935 625 HD2 LYS 83 2HD LYS 83 6.032 -17.073 -5.179 626 HD3 LYS 83 3HD LYS 83 7.394 -16.085 -4.595 627 HE2 LYS 83 2HE LYS 83 7.821 -18.530 -4.433 628 HE3 LYS 83 3HE LYS 83 7.888 -17.704 -2.861 629 HZ1 LYS 83 3HZ LYS 83 5.589 -19.229 -3.899 630 HZ2 LYS 83 1HZ LYS 83 6.642 -19.747 -2.740 631 HZ3 LYS 83 2HZ LYS 83 5.652 -18.463 -2.439 632 H ALA 84 HN ALA 84 4.555 -11.993 -3.480 633 HA ALA 84 HA ALA 84 4.542 -11.264 -0.682 634 HB1 ALA 84 1HB ALA 84 6.951 -10.784 -0.488 635 HB2 ALA 84 2HB ALA 84 6.655 -12.519 -0.743 636 HB3 ALA 84 3HB ALA 84 7.223 -11.504 -2.091 637 H ILE 85 HN ILE 85 5.524 -9.015 -0.416 638 HA ILE 85 HA ILE 85 5.066 -7.448 -2.913 639 HB ILE 85 HB ILE 85 4.608 -6.556 -0.035 640 HG12 ILE 85 2HG1 ILE 85 2.615 -7.246 -2.221 641 HG13 ILE 85 3HG1 ILE 85 2.952 -8.218 -0.769 642 HG21 ILE 85 1HG2 ILE 85 3.594 -4.557 -1.057 643 HG22 ILE 85 2HG2 ILE 85 5.299 -4.734 -1.531 644 HG23 ILE 85 3HG2 ILE 85 4.008 -5.174 -2.673 645 HD11 ILE 85 3HD1 ILE 85 1.781 -5.423 -0.808 646 HD12 ILE 85 1HD1 ILE 85 0.874 -6.921 -0.513 647 HD13 ILE 85 2HD1 ILE 85 2.115 -6.397 0.643 648 H GLU 86 HN GLU 86 6.698 -6.097 -3.550 649 HA GLU 86 HA GLU 86 8.945 -5.760 -1.637 650 HB2 GLU 86 2HB GLU 86 9.465 -7.650 -3.114 651 HB3 GLU 86 3HB GLU 86 9.197 -6.615 -4.536 652 HG2 GLU 86 2HG GLU 86 11.092 -5.253 -3.985 653 HG3 GLU 86 3HG GLU 86 11.295 -6.079 -2.425 654 HE2 GLU 86 2HE GLU 86 12.615 -7.886 -5.702 655 H GLY 87 HN GLY 87 8.822 -3.641 -1.248 656 HA2 GLY 87 1HA GLY 87 9.046 -1.394 -1.657 657 HA3 GLY 87 2HA GLY 87 9.636 -1.809 -3.282 658 H VAL 88 HN VAL 88 8.474 -1.062 -4.900 659 HA VAL 88 HA VAL 88 5.595 -0.506 -4.396 660 HB VAL 88 HB VAL 88 7.153 1.387 -5.086 661 HG11 VAL 88 1HG1 VAL 88 7.734 1.587 -7.462 662 HG12 VAL 88 2HG1 VAL 88 8.502 0.168 -6.714 663 HG13 VAL 88 3HG1 VAL 88 7.073 -0.038 -7.757 664 HG21 VAL 88 3HG2 VAL 88 4.724 1.539 -5.274 665 HG22 VAL 88 1HG2 VAL 88 5.519 2.388 -6.619 666 HG23 VAL 88 2HG2 VAL 88 4.792 0.787 -6.887 667 H LYS 89 HN LYS 89 7.291 -2.984 -5.343 668 HA LYS 89 HA LYS 89 5.573 -3.616 -7.696 669 HB2 LYS 89 2HB LYS 89 8.266 -4.784 -6.921 670 HB3 LYS 89 3HB LYS 89 7.307 -5.205 -8.360 671 HG2 LYS 89 2HG LYS 89 7.654 -3.011 -9.297 672 HG3 LYS 89 3HG LYS 89 8.474 -2.464 -7.814 673 HD2 LYS 89 2HD LYS 89 9.428 -4.701 -9.642 674 HD3 LYS 89 3HD LYS 89 10.083 -3.046 -9.602 675 HE2 LYS 89 2HE LYS 89 10.835 -3.342 -7.320 676 HE3 LYS 89 3HE LYS 89 10.043 -4.931 -7.223 677 HZ1 LYS 89 3HZ LYS 89 12.289 -4.241 -8.995 678 HZ2 LYS 89 1HZ LYS 89 12.395 -5.131 -7.612 679 HZ3 LYS 89 2HZ LYS 89 11.554 -5.715 -8.903 680 H LEU 90 HN LEU 90 4.930 -5.887 -7.870 681 HA LEU 90 HA LEU 90 4.774 -7.201 -5.204 682 HB2 LEU 90 2HB LEU 90 3.067 -7.678 -7.662 683 HB3 LEU 90 3HB LEU 90 2.876 -8.450 -6.070 684 HG LEU 90 HG LEU 90 2.428 -5.529 -6.724 685 HD11 LEU 90 1HD1 LEU 90 0.075 -6.057 -6.227 686 HD12 LEU 90 2HD1 LEU 90 0.688 -7.036 -7.579 687 HD13 LEU 90 3HD1 LEU 90 0.515 -7.761 -5.963 688 HD21 LEU 90 3HD2 LEU 90 3.332 -5.826 -4.461 689 HD22 LEU 90 1HD2 LEU 90 1.621 -5.345 -4.407 690 HD23 LEU 90 2HD2 LEU 90 2.077 -7.039 -4.114 691 H VAL 91 HN VAL 91 5.422 -9.292 -4.977 692 HA VAL 91 HA VAL 91 6.856 -10.481 -7.287 693 HB VAL 91 HB VAL 91 6.923 -11.282 -4.351 694 HG11 VAL 91 1HG1 VAL 91 8.864 -12.644 -5.004 695 HG12 VAL 91 2HG1 VAL 91 7.400 -13.130 -5.890 696 HG13 VAL 91 3HG1 VAL 91 8.645 -12.145 -6.696 697 HG21 VAL 91 3HG2 VAL 91 7.912 -9.065 -4.691 698 HG22 VAL 91 1HG2 VAL 91 9.163 -10.266 -4.302 699 HG23 VAL 91 2HG2 VAL 91 8.951 -9.719 -5.981 700 H VAL 92 HN VAL 92 5.608 -11.812 -8.462 701 HA VAL 92 HA VAL 92 3.525 -13.320 -6.974 702 HB VAL 92 HB VAL 92 2.099 -13.169 -9.016 703 HG11 VAL 92 1HG1 VAL 92 1.375 -10.845 -8.665 704 HG12 VAL 92 2HG1 VAL 92 1.743 -11.653 -7.124 705 HG13 VAL 92 3HG1 VAL 92 2.903 -10.497 -7.824 706 HG21 VAL 92 3HG2 VAL 92 3.864 -12.747 -10.660 707 HG22 VAL 92 1HG2 VAL 92 2.614 -11.484 -10.731 708 HG23 VAL 92 2HG2 VAL 92 4.168 -11.151 -9.934 709 H GLU 93 HN GLU 93 2.907 -15.347 -7.801 710 HA GLU 93 HA GLU 93 4.906 -16.529 -9.664 711 HB2 GLU 93 2HB GLU 93 4.405 -18.702 -8.518 712 HB3 GLU 93 3HB GLU 93 5.270 -17.506 -7.522 713 HG2 GLU 93 2HG GLU 93 3.220 -16.951 -6.349 714 HG3 GLU 93 3HG GLU 93 2.294 -18.053 -7.392 715 HE2 GLU 93 2HE GLU 93 4.302 -19.560 -4.347 716 H LYS 94 HN LYS 94 4.055 -18.418 -10.879 717 HA LYS 94 HA LYS 94 1.491 -17.618 -12.005 718 HB2 LYS 94 2HB LYS 94 3.205 -18.252 -13.559 719 HB3 LYS 94 3HB LYS 94 3.443 -19.814 -12.738 720 HG2 LYS 94 2HG LYS 94 1.227 -20.548 -13.414 721 HG3 LYS 94 3HG LYS 94 0.894 -18.961 -14.146 722 HD2 LYS 94 2HD LYS 94 2.409 -19.317 -15.898 723 HD3 LYS 94 3HD LYS 94 3.229 -20.643 -15.040 724 HE2 LYS 94 2HE LYS 94 1.776 -21.416 -16.916 725 HE3 LYS 94 3HE LYS 94 1.327 -22.098 -15.337 726 HZ1 LYS 94 3HZ LYS 94 -0.018 -19.848 -16.675 727 HZ2 LYS 94 1HZ LYS 94 -0.594 -21.388 -16.576 728 HZ3 LYS 94 2HZ LYS 94 -0.434 -20.481 -15.210 729 H LEU 95 HN LEU 95 -0.385 -18.457 -11.627 730 HA LEU 95 HA LEU 95 -0.562 -20.954 -10.044 731 HB2 LEU 95 2HB LEU 95 -1.949 -18.503 -10.021 732 HB3 LEU 95 3HB LEU 95 -3.077 -19.690 -10.719 733 HG LEU 95 HG LEU 95 -3.290 -19.359 -8.256 734 HD11 LEU 95 1HD1 LEU 95 -3.448 -21.756 -7.711 735 HD12 LEU 95 2HD1 LEU 95 -4.077 -21.415 -9.339 736 HD13 LEU 95 3HD1 LEU 95 -2.465 -22.142 -9.142 737 HD21 LEU 95 3HD2 LEU 95 -0.912 -19.046 -7.739 738 HD22 LEU 95 1HD2 LEU 95 -1.601 -20.376 -6.780 739 HD23 LEU 95 2HD2 LEU 95 -0.585 -20.737 -8.194 740 H GLU 96 HN GLU 96 -1.937 -22.650 -10.775 741 HA GLU 96 HA GLU 96 -2.093 -22.823 -13.709 742 HB2 GLU 96 2HB GLU 96 -1.236 -24.736 -12.445 743 HB3 GLU 96 3HB GLU 96 -2.757 -24.820 -11.526 744 HG2 GLU 96 2HG GLU 96 -3.982 -25.370 -13.549 745 HG3 GLU 96 3HG GLU 96 -2.502 -25.205 -14.518 746 HE2 GLU 96 2HE GLU 96 -2.964 -28.473 -12.313 747 H GLU 97 HN GLU 97 -3.857 -22.256 -14.781 748 HA GLU 97 HA GLU 97 -6.082 -21.118 -13.516 749 HB2 GLU 97 2HB GLU 97 -7.142 -21.120 -15.704 750 HB3 GLU 97 3HB GLU 97 -5.444 -20.595 -15.797 751 HG2 GLU 97 2HG GLU 97 -6.486 -23.331 -16.558 752 HG3 GLU 97 3HG GLU 97 -6.122 -22.009 -17.689 753 HE2 GLU 97 2HE GLU 97 -3.273 -24.345 -17.253 754 H GLN 98 HN GLN 98 -7.505 -21.989 -12.288 755 HA GLN 98 HA GLN 98 -7.868 -24.874 -12.282 756 HB2 GLN 98 2HB GLN 98 -9.192 -24.476 -10.250 757 HB3 GLN 98 3HB GLN 98 -7.587 -23.709 -10.171 758 HG2 GLN 98 2HG GLN 98 -10.168 -22.251 -10.797 759 HG3 GLN 98 3HG GLN 98 -9.425 -22.351 -9.186 760 HE21 GLN 98 1HE2 GLN 98 -9.262 -20.931 -12.386 761 HE22 GLN 98 2HE2 GLN 98 -8.053 -19.723 -12.009 762 H LYS 99 HN LYS 99 -8.831 -24.927 -14.456 763 HA LYS 99 HA LYS 99 -11.583 -23.976 -14.649 764 HB2 LYS 99 2HB LYS 99 -9.966 -25.788 -16.462 765 HB3 LYS 99 3HB LYS 99 -11.602 -25.180 -16.808 766 HG2 LYS 99 2HG LYS 99 -10.598 -22.837 -16.574 767 HG3 LYS 99 3HG LYS 99 -9.012 -23.639 -16.659 768 HD2 LYS 99 2HD LYS 99 -9.726 -24.696 -18.808 769 HD3 LYS 99 3HD LYS 99 -11.225 -23.739 -18.733 770 HE2 LYS 99 2HE LYS 99 -9.713 -22.580 -20.177 771 HE3 LYS 99 3HE LYS 99 -9.794 -21.669 -18.653 772 HZ1 LYS 99 3HZ LYS 99 -7.664 -23.554 -19.411 773 HZ2 LYS 99 1HZ LYS 99 -7.542 -21.911 -19.427 774 HZ3 LYS 99 2HZ LYS 99 -7.739 -22.708 -17.997 775 H GLY 100 HN GLY 100 -12.126 -25.097 -12.589 776 HA2 GLY 100 1HA GLY 100 -12.881 -27.921 -13.179 777 HA3 GLY 100 2HA GLY 100 -12.518 -27.301 -11.552 778 H SER 101 HN SER 101 -13.933 -25.630 -10.675 779 HA SER 101 HA SER 101 -16.696 -25.919 -11.739 780 HB2 SER 101 2HB SER 101 -15.732 -25.172 -8.955 781 HB3 SER 101 3HB SER 101 -17.431 -25.306 -9.468 782 HG SER 101 HG SER 101 -16.658 -27.220 -8.444 Start of MODEL 4 1 H1 MET 1 HN MET 1 2.873 -5.865 -42.019 2 HA MET 1 HA MET 1 4.993 -4.864 -40.409 3 HB2 MET 1 2HB MET 1 2.280 -4.794 -39.044 4 HB3 MET 1 3HB MET 1 3.852 -4.638 -38.226 5 HG2 MET 1 2HG MET 1 2.969 -2.453 -38.430 6 HG3 MET 1 3HG MET 1 4.268 -2.590 -39.627 7 HE1 MET 1 3HE MET 1 3.362 -0.406 -40.832 8 HE2 MET 1 1HE MET 1 1.679 -0.194 -41.368 9 HE3 MET 1 2HE MET 1 2.053 -0.284 -39.631 10 H GLY 2 HN GLY 2 5.954 -6.816 -40.507 11 HA2 GLY 2 1HA GLY 2 4.502 -9.053 -39.183 12 HA3 GLY 2 2HA GLY 2 5.394 -9.302 -40.700 13 H SER 3 HN SER 3 5.568 -9.102 -37.275 14 HA SER 3 HA SER 3 8.539 -8.967 -37.392 15 HB2 SER 3 2HB SER 3 6.696 -8.513 -35.018 16 HB3 SER 3 3HB SER 3 8.449 -8.209 -35.092 17 HG SER 3 HG SER 3 7.201 -6.300 -35.414 18 H SER 4 HN SER 4 9.758 -10.626 -36.721 19 HA SER 4 HA SER 4 8.353 -12.893 -35.389 20 HB2 SER 4 2HB SER 4 10.654 -13.029 -37.376 21 HB3 SER 4 3HB SER 4 9.872 -14.413 -36.575 22 HG SER 4 HG SER 4 9.048 -14.028 -38.690 23 H HIS 5 HN HIS 5 8.916 -12.576 -33.295 24 HA HIS 5 HA HIS 5 11.821 -12.719 -32.710 25 HB2 HIS 5 2HB HIS 5 11.206 -10.367 -32.498 26 HB3 HIS 5 3HB HIS 5 9.841 -10.791 -31.449 27 HD1 HIS 5 1HD HIS 5 10.279 -10.901 -28.988 28 HD2 HIS 5 2HD HIS 5 13.800 -10.886 -31.238 29 HE1 HIS 5 1HE HIS 5 12.178 -10.685 -27.327 30 HE2 HIS 5 2HE HIS 5 14.317 -10.682 -28.694 31 H HIS 6 HN HIS 6 12.330 -14.130 -31.142 32 HA HIS 6 HA HIS 6 10.095 -15.148 -29.448 33 HB2 HIS 6 2HB HIS 6 12.518 -16.606 -30.550 34 HB3 HIS 6 3HB HIS 6 11.490 -17.249 -29.255 35 HD1 HIS 6 1HD HIS 6 11.914 -17.396 -32.810 36 HD2 HIS 6 2HD HIS 6 8.624 -17.389 -30.230 37 HE1 HIS 6 1HE HIS 6 9.976 -18.356 -34.131 38 HE2 HIS 6 2HE HIS 6 7.989 -18.358 -32.558 39 H HIS 7 HN HIS 7 10.585 -15.601 -27.253 40 HA HIS 7 HA HIS 7 13.180 -14.459 -26.347 41 HB2 HIS 7 2HB HIS 7 11.885 -13.972 -24.164 42 HB3 HIS 7 3HB HIS 7 11.700 -12.875 -25.545 43 HD1 HIS 7 1HD HIS 7 9.829 -15.657 -23.724 44 HD2 HIS 7 2HD HIS 7 9.134 -12.538 -26.418 45 HE1 HIS 7 1HE HIS 7 7.309 -15.451 -23.942 46 HE2 HIS 7 2HE HIS 7 6.899 -13.554 -25.576 47 H HIS 8 HN HIS 8 14.330 -16.275 -26.136 48 HA HIS 8 HA HIS 8 13.266 -18.315 -24.252 49 HB2 HIS 8 2HB HIS 8 13.013 -19.163 -26.531 50 HB3 HIS 8 3HB HIS 8 14.712 -18.797 -26.880 51 HD1 HIS 8 1HD HIS 8 16.427 -20.526 -26.289 52 HD2 HIS 8 2HD HIS 8 12.664 -21.363 -24.680 53 HE1 HIS 8 1HE HIS 8 16.571 -22.870 -25.345 54 HE2 HIS 8 2HE HIS 8 14.283 -23.377 -24.369 55 H HIS 9 HN HIS 9 14.490 -17.831 -22.505 56 HA HIS 9 HA HIS 9 17.393 -18.315 -22.847 57 HB2 HIS 9 2HB HIS 9 16.129 -15.979 -21.394 58 HB3 HIS 9 3HB HIS 9 17.773 -16.546 -21.042 59 HD1 HIS 9 1HD HIS 9 15.863 -14.377 -23.293 60 HD2 HIS 9 2HD HIS 9 19.549 -16.340 -23.357 61 HE1 HIS 9 1HE HIS 9 17.219 -13.275 -25.128 62 HE2 HIS 9 2HE HIS 9 19.460 -14.470 -25.162 63 H HIS 10 HN HIS 10 17.834 -20.058 -21.700 64 HA HIS 10 HA HIS 10 16.162 -20.690 -19.344 65 HB2 HIS 10 2HB HIS 10 16.601 -22.406 -21.107 66 HB3 HIS 10 3HB HIS 10 18.326 -22.328 -20.704 67 HD1 HIS 10 1HD HIS 10 19.136 -23.809 -18.860 68 HD2 HIS 10 2HD HIS 10 14.974 -23.431 -18.901 69 HE1 HIS 10 1HE HIS 10 18.258 -25.475 -17.163 70 HE2 HIS 10 2HE HIS 10 15.729 -25.240 -17.187 71 H SER 11 HN SER 11 16.808 -19.713 -17.530 72 HA SER 11 HA SER 11 19.738 -19.675 -16.970 73 HB2 SER 11 2HB SER 11 17.692 -17.619 -16.059 74 HB3 SER 11 3HB SER 11 19.461 -17.542 -15.875 75 HG SER 11 HG SER 11 18.698 -16.298 -17.654 76 H SER 12 HN SER 12 20.156 -19.387 -14.548 77 HA SER 12 HA SER 12 18.646 -21.456 -13.139 78 HB2 SER 12 2HB SER 12 21.152 -21.210 -13.033 79 HB3 SER 12 3HB SER 12 20.910 -19.689 -12.137 80 HG SER 12 HG SER 12 21.241 -21.496 -10.752 81 H GLY 13 HN GLY 13 17.449 -21.159 -11.227 82 HA2 GLY 13 1HA GLY 13 16.217 -18.491 -11.093 83 HA3 GLY 13 2HA GLY 13 15.620 -19.988 -10.339 84 H ARG 14 HN ARG 14 15.394 -18.028 -8.712 85 HA ARG 14 HA ARG 14 17.880 -17.793 -7.110 86 HB2 ARG 14 2HB ARG 14 15.219 -16.358 -6.815 87 HB3 ARG 14 3HB ARG 14 16.729 -15.995 -5.945 88 HG2 ARG 14 2HG ARG 14 16.301 -15.729 -8.937 89 HG3 ARG 14 3HG ARG 14 16.301 -14.393 -7.760 90 HD2 ARG 14 2HD ARG 14 18.615 -14.811 -7.205 91 HD3 ARG 14 3HD ARG 14 18.637 -16.272 -8.214 92 HE ARG 14 HE ARG 14 18.214 -14.698 -10.158 93 HH11 ARG 14 2HH1 ARG 14 19.876 -13.690 -7.223 94 HH12 ARG 14 1HH1 ARG 14 20.761 -12.407 -8.014 95 HH21 ARG 14 2HH2 ARG 14 19.371 -13.010 -11.178 96 HH22 ARG 14 1HH2 ARG 14 20.476 -12.021 -10.250 97 H GLU 15 HN GLU 15 17.828 -18.221 -4.826 98 HA GLU 15 HA GLU 15 16.157 -20.535 -4.218 99 HB2 GLU 15 2HB GLU 15 17.444 -20.637 -2.134 100 HB3 GLU 15 3HB GLU 15 18.506 -20.521 -3.557 101 HG2 GLU 15 2HG GLU 15 18.981 -18.223 -3.108 102 HG3 GLU 15 3HG GLU 15 17.740 -18.155 -1.838 103 HE2 GLU 15 2HE GLU 15 21.313 -19.527 -0.923 104 H ASN 16 HN ASN 16 14.926 -20.712 -2.196 105 HA ASN 16 HA ASN 16 13.177 -18.444 -1.811 106 HB2 ASN 16 2HB ASN 16 12.396 -20.770 -1.607 107 HB3 ASN 16 3HB ASN 16 13.483 -21.019 -0.223 108 HD21 ASN 16 1HD2 ASN 16 11.779 -21.556 1.163 109 HD22 ASN 16 2HD2 ASN 16 10.659 -20.352 1.764 110 H LEU 17 HN LEU 17 13.577 -16.713 -0.596 111 HA LEU 17 HA LEU 17 15.850 -16.836 1.279 112 HB2 LEU 17 2HB LEU 17 14.203 -14.501 0.264 113 HB3 LEU 17 3HB LEU 17 15.639 -14.380 1.310 114 HG LEU 17 HG LEU 17 15.583 -15.439 -1.529 115 HD11 LEU 17 1HD1 LEU 17 16.846 -13.399 -2.068 116 HD12 LEU 17 2HD1 LEU 17 15.243 -13.015 -1.398 117 HD13 LEU 17 3HD1 LEU 17 16.694 -12.861 -0.379 118 HD21 LEU 17 3HD2 LEU 17 17.281 -16.544 -0.144 119 HD22 LEU 17 1HD2 LEU 17 18.037 -15.462 -1.336 120 HD23 LEU 17 2HD2 LEU 17 17.906 -14.957 0.365 121 H TYR 18 HN TYR 18 15.746 -16.279 3.441 122 HA TYR 18 HA TYR 18 13.054 -16.486 4.639 123 HB2 TYR 18 2HB TYR 18 14.709 -17.956 5.581 124 HB3 TYR 18 3HB TYR 18 15.859 -16.624 5.788 125 HD1 TYR 18 2HD TYR 18 12.494 -17.809 6.950 126 HD2 TYR 18 1HD TYR 18 15.949 -15.473 7.835 127 HE1 TYR 18 2HE TYR 18 11.649 -17.416 9.223 128 HE2 TYR 18 1HE TYR 18 15.102 -15.084 10.106 129 HH TYR 18 HH TYR 18 12.016 -16.444 11.240 130 H PHE 19 HN PHE 19 11.977 -14.768 5.322 131 HA PHE 19 HA PHE 19 13.533 -12.350 6.083 132 HB2 PHE 19 2HB PHE 19 12.594 -11.935 3.878 133 HB3 PHE 19 3HB PHE 19 10.994 -12.470 4.418 134 HD1 PHE 19 1HD PHE 19 13.594 -9.863 5.007 135 HD2 PHE 19 2HD PHE 19 9.485 -10.937 5.352 136 HE1 PHE 19 1HE PHE 19 13.049 -7.561 5.671 137 HE2 PHE 19 2HE PHE 19 8.935 -8.636 6.017 138 HZ PHE 19 HZ PHE 19 10.718 -6.942 6.181 139 H GLN 20 HN GLN 20 13.119 -11.751 8.100 140 HA GLN 20 HA GLN 20 10.734 -12.841 9.448 141 HB2 GLN 20 2HB GLN 20 12.889 -12.987 10.588 142 HB3 GLN 20 3HB GLN 20 13.089 -11.222 10.471 143 HG2 GLN 20 2HG GLN 20 11.145 -10.899 11.919 144 HG3 GLN 20 3HG GLN 20 10.922 -12.658 12.024 145 HE21 GLN 20 1HE2 GLN 20 12.342 -13.910 13.263 146 HE22 GLN 20 2HE2 GLN 20 13.441 -13.192 14.421 147 H GLY 21 HN GLY 21 8.897 -11.741 9.219 148 HA2 GLY 21 1HA GLY 21 8.861 -8.982 8.419 149 HA3 GLY 21 2HA GLY 21 7.466 -9.974 8.901 150 H HIS 22 HN HIS 22 7.824 -7.222 9.549 151 HA HIS 22 HA HIS 22 7.973 -7.478 12.510 152 HB2 HIS 22 2HB HIS 22 9.118 -5.251 10.794 153 HB3 HIS 22 3HB HIS 22 8.893 -5.137 12.550 154 HD1 HIS 22 1HD HIS 22 10.653 -6.167 14.031 155 HD2 HIS 22 2HD HIS 22 11.120 -7.165 10.003 156 HE1 HIS 22 1HE HIS 22 12.897 -7.329 13.848 157 HE2 HIS 22 2HE HIS 22 13.178 -7.933 11.398 158 H MET 23 HN MET 23 6.902 -5.534 13.584 159 HA MET 23 HA MET 23 4.253 -5.296 12.383 160 HB2 MET 23 2HB MET 23 5.408 -4.199 14.967 161 HB3 MET 23 3HB MET 23 3.699 -4.097 14.479 162 HG2 MET 23 2HG MET 23 5.265 -6.639 14.993 163 HG3 MET 23 3HG MET 23 4.079 -5.905 16.085 164 HE1 MET 23 3HE MET 23 1.851 -4.899 14.020 165 HE2 MET 23 1HE MET 23 0.739 -6.286 14.033 166 HE3 MET 23 2HE MET 23 1.479 -5.727 15.551 167 H ALA 24 HN ALA 24 3.412 -3.570 11.372 168 HA ALA 24 HA ALA 24 5.203 -1.282 10.908 169 HB1 ALA 24 1HB ALA 24 3.529 -0.621 9.228 170 HB2 ALA 24 2HB ALA 24 4.051 -2.306 8.996 171 HB3 ALA 24 3HB ALA 24 2.477 -1.957 9.751 172 H ALA 25 HN ALA 25 4.975 0.670 11.813 173 HA ALA 25 HA ALA 25 2.721 0.970 13.719 174 HB1 ALA 25 1HB ALA 25 4.127 2.680 14.800 175 HB2 ALA 25 2HB ALA 25 4.982 1.126 14.670 176 HB3 ALA 25 3HB ALA 25 5.367 2.452 13.546 177 H ARG 26 HN ARG 26 1.134 1.620 12.220 178 HA ARG 26 HA ARG 26 1.643 4.017 10.621 179 HB2 ARG 26 2HB ARG 26 0.034 1.925 10.186 180 HB3 ARG 26 3HB ARG 26 -1.119 2.967 11.053 181 HG2 ARG 26 2HG ARG 26 -1.378 3.367 8.706 182 HG3 ARG 26 3HG ARG 26 -0.582 4.791 9.419 183 HD2 ARG 26 2HD ARG 26 1.616 3.875 8.700 184 HD3 ARG 26 3HD ARG 26 0.768 2.528 7.910 185 HE ARG 26 HE ARG 26 0.440 5.385 7.128 186 HH11 ARG 26 2HH1 ARG 26 0.685 1.956 6.329 187 HH12 ARG 26 1HH1 ARG 26 0.547 2.225 4.607 188 HH21 ARG 26 2HH2 ARG 26 0.281 5.725 4.896 189 HH22 ARG 26 1HH2 ARG 26 0.318 4.366 3.794 190 H ILE 27 HN ILE 27 2.221 5.440 12.331 191 HA ILE 27 HA ILE 27 0.175 6.040 14.345 192 HB ILE 27 HB ILE 27 2.877 7.358 13.849 193 HG12 ILE 27 2HG1 ILE 27 2.080 5.214 15.846 194 HG13 ILE 27 3HG1 ILE 27 3.057 4.954 14.381 195 HG21 ILE 27 1HG2 ILE 27 2.626 8.216 16.146 196 HG22 ILE 27 2HG2 ILE 27 1.308 8.783 15.094 197 HG23 ILE 27 3HG2 ILE 27 1.019 7.461 16.251 198 HD11 ILE 27 3HD1 ILE 27 3.823 6.688 16.746 199 HD12 ILE 27 1HD1 ILE 27 4.478 5.077 16.389 200 HD13 ILE 27 2HD1 ILE 27 4.800 6.427 15.281 201 H THR 28 HN THR 28 -1.204 7.700 14.297 202 HA THR 28 HA THR 28 -1.739 9.081 11.910 203 HB THR 28 HB THR 28 -3.082 10.640 13.436 204 HG1 THR 28 1HG THR 28 -3.302 9.859 15.604 205 HG21 THR 28 3HG2 THR 28 -3.519 7.643 13.689 206 HG22 THR 28 1HG2 THR 28 -4.752 8.898 13.954 207 HG23 THR 28 2HG2 THR 28 -4.055 8.667 12.335 208 H GLY 29 HN GLY 29 -0.466 10.454 10.890 209 HA2 GLY 29 1HA GLY 29 0.287 12.936 11.471 210 HA3 GLY 29 2HA GLY 29 1.480 12.034 12.434 211 H GLU 30 HN GLU 30 1.112 9.869 10.197 212 HA GLU 30 HA GLU 30 3.322 10.862 8.566 213 HB2 GLU 30 2HB GLU 30 3.128 8.570 7.503 214 HB3 GLU 30 3HB GLU 30 3.547 8.619 9.233 215 HG2 GLU 30 2HG GLU 30 2.035 6.867 9.083 216 HG3 GLU 30 3HG GLU 30 1.040 8.227 9.647 217 HE2 GLU 30 2HE GLU 30 0.437 6.885 5.955 218 HA PRO 31 HA PRO 31 1.198 12.417 5.096 219 HB2 PRO 31 2HB PRO 31 2.935 10.778 3.275 220 HB3 PRO 31 3HB PRO 31 2.781 12.556 3.453 221 HG2 PRO 31 2HG PRO 31 4.910 11.197 4.336 222 HG3 PRO 31 3HG PRO 31 4.326 12.701 5.121 223 HD2 PRO 31 2HD PRO 31 4.068 9.822 5.953 224 HD3 PRO 31 3HD PRO 31 4.226 11.296 6.956 225 H SER 32 HN SER 32 1.133 9.071 5.700 226 HA SER 32 HA SER 32 -0.252 7.385 5.054 227 HB2 SER 32 2HB SER 32 -1.960 9.626 3.909 228 HB3 SER 32 3HB SER 32 -2.493 7.958 4.230 229 HG SER 32 HG SER 32 -3.036 9.408 5.934 230 H LYS 33 HN LYS 33 1.814 7.279 3.536 231 HA LYS 33 HA LYS 33 1.192 7.730 0.729 232 HB2 LYS 33 2HB LYS 33 3.558 6.617 2.223 233 HB3 LYS 33 3HB LYS 33 3.436 6.479 0.452 234 HG2 LYS 33 2HG LYS 33 3.471 9.032 2.084 235 HG3 LYS 33 3HG LYS 33 4.761 8.416 1.023 236 HD2 LYS 33 2HD LYS 33 3.157 8.562 -0.897 237 HD3 LYS 33 3HD LYS 33 1.990 9.341 0.198 238 HE2 LYS 33 2HE LYS 33 3.130 11.056 -1.037 239 HE3 LYS 33 3HE LYS 33 3.691 11.113 0.648 240 HZ1 LYS 33 3HZ LYS 33 5.128 9.854 -1.592 241 HZ2 LYS 33 1HZ LYS 33 5.508 11.300 -0.900 242 HZ3 LYS 33 2HZ LYS 33 5.647 9.907 -0.029 243 H LYS 34 HN LYS 34 1.749 5.943 -0.841 244 HA LYS 34 HA LYS 34 -0.287 4.015 -0.697 245 HB2 LYS 34 2HB LYS 34 0.887 2.991 -2.660 246 HB3 LYS 34 3HB LYS 34 0.582 4.738 -2.809 247 HG2 LYS 34 2HG LYS 34 2.930 5.156 -2.104 248 HG3 LYS 34 3HG LYS 34 3.208 3.398 -2.116 249 HD2 LYS 34 2HD LYS 34 2.633 3.329 -4.509 250 HD3 LYS 34 3HD LYS 34 2.368 5.089 -4.494 251 HE2 LYS 34 2HE LYS 34 4.726 5.388 -3.754 252 HE3 LYS 34 3HE LYS 34 4.966 3.636 -3.916 253 HZ1 LYS 34 3HZ LYS 34 4.226 5.472 -6.092 254 HZ2 LYS 34 1HZ LYS 34 5.721 4.818 -5.854 255 HZ3 LYS 34 2HZ LYS 34 4.449 3.845 -6.242 256 H ALA 35 HN ALA 35 -0.498 2.131 0.235 257 HA ALA 35 HA ALA 35 1.945 0.596 0.921 258 HB1 ALA 35 1HB ALA 35 0.983 0.033 3.117 259 HB2 ALA 35 2HB ALA 35 1.236 1.786 2.951 260 HB3 ALA 35 3HB ALA 35 -0.399 1.103 2.785 261 H VAL 36 HN VAL 36 1.840 -1.345 0.039 262 HA VAL 36 HA VAL 36 -0.706 -2.366 -0.926 263 HB VAL 36 HB VAL 36 1.944 -3.842 -0.812 264 HG11 VAL 36 1HG1 VAL 36 1.009 -5.111 -2.699 265 HG12 VAL 36 2HG1 VAL 36 -0.026 -5.229 -1.257 266 HG13 VAL 36 3HG1 VAL 36 -0.488 -4.154 -2.600 267 HG21 VAL 36 3HG2 VAL 36 2.261 -1.692 -1.944 268 HG22 VAL 36 1HG2 VAL 36 2.347 -3.041 -3.102 269 HG23 VAL 36 2HG2 VAL 36 0.878 -2.041 -3.010 270 H SER 37 HN SER 37 -2.091 -3.421 0.269 271 HA SER 37 HA SER 37 -1.570 -4.078 2.983 272 HB2 SER 37 2HB SER 37 -3.798 -3.490 2.156 273 HB3 SER 37 3HB SER 37 -3.819 -4.941 1.125 274 HG SER 37 HG SER 37 -4.938 -5.242 3.109 275 H ASP 38 HN ASP 38 -0.983 -5.915 4.008 276 HA ASP 38 HA ASP 38 0.087 -8.090 2.423 277 HB2 ASP 38 2HB ASP 38 0.745 -9.068 4.509 278 HB3 ASP 38 3HB ASP 38 1.038 -7.319 4.619 279 HD2 ASP 38 2HD ASP 38 -1.373 -6.950 7.105 280 H ARG 39 HN ARG 39 -3.025 -7.228 3.348 281 HA ARG 39 HA ARG 39 -4.122 -9.874 3.776 282 HB2 ARG 39 2HB ARG 39 -5.447 -7.277 2.911 283 HB3 ARG 39 3HB ARG 39 -6.298 -8.753 3.426 284 HG2 ARG 39 2HG ARG 39 -5.552 -8.540 5.650 285 HG3 ARG 39 3HG ARG 39 -4.303 -7.350 5.205 286 HD2 ARG 39 2HD ARG 39 -6.035 -6.130 6.259 287 HD3 ARG 39 3HD ARG 39 -6.185 -5.807 4.519 288 HE ARG 39 HE ARG 39 -7.863 -7.996 5.375 289 HH11 ARG 39 2HH1 ARG 39 -7.586 -4.511 4.997 290 HH12 ARG 39 1HH1 ARG 39 -9.308 -4.227 5.102 291 HH21 ARG 39 2HH2 ARG 39 -10.124 -7.596 5.590 292 HH22 ARG 39 1HH2 ARG 39 -10.739 -5.967 5.437 293 H LEU 40 HN LEU 40 -2.727 -8.394 1.126 294 HA LEU 40 HA LEU 40 -4.425 -9.769 -0.861 295 HB2 LEU 40 2HB LEU 40 -1.933 -8.069 -1.190 296 HB3 LEU 40 3HB LEU 40 -2.961 -8.688 -2.504 297 HG LEU 40 HG LEU 40 -3.811 -6.701 -0.379 298 HD11 LEU 40 1HD1 LEU 40 -3.800 -5.065 -2.216 299 HD12 LEU 40 2HD1 LEU 40 -2.183 -5.760 -1.954 300 HD13 LEU 40 3HD1 LEU 40 -3.179 -6.313 -3.322 301 HD21 LEU 40 3HD2 LEU 40 -5.659 -8.107 -1.173 302 HD22 LEU 40 1HD2 LEU 40 -5.832 -6.436 -1.757 303 HD23 LEU 40 2HD2 LEU 40 -5.247 -7.705 -2.857 304 H ILE 41 HN ILE 41 -1.795 -10.431 1.151 305 HA ILE 41 HA ILE 41 -0.191 -12.011 -0.628 306 HB ILE 41 HB ILE 41 -0.427 -12.040 2.403 307 HG12 ILE 41 2HG1 ILE 41 0.364 -9.922 1.502 308 HG13 ILE 41 3HG1 ILE 41 1.681 -10.786 2.330 309 HG21 ILE 41 1HG2 ILE 41 1.712 -13.257 2.398 310 HG22 ILE 41 2HG2 ILE 41 0.435 -14.184 1.578 311 HG23 ILE 41 3HG2 ILE 41 1.667 -13.327 0.622 312 HD11 ILE 41 3HD1 ILE 41 1.251 -10.647 -0.665 313 HD12 ILE 41 1HD1 ILE 41 2.472 -9.738 0.248 314 HD13 ILE 41 2HD1 ILE 41 2.570 -11.509 0.164 315 H GLY 42 HN GLY 42 -0.575 -13.933 -1.462 316 HA2 GLY 42 1HA GLY 42 -1.198 -16.200 -1.354 317 HA3 GLY 42 2HA GLY 42 -2.180 -15.856 0.089 318 H ARG 43 HN ARG 43 -2.891 -13.410 -1.983 319 HA ARG 43 HA ARG 43 -5.310 -14.836 -2.890 320 HB2 ARG 43 2HB ARG 43 -4.611 -11.894 -2.779 321 HB3 ARG 43 3HB ARG 43 -6.111 -12.536 -3.489 322 HG2 ARG 43 2HG ARG 43 -6.467 -13.676 -1.206 323 HG3 ARG 43 3HG ARG 43 -5.219 -12.554 -0.611 324 HD2 ARG 43 2HD ARG 43 -7.467 -11.653 -0.246 325 HD3 ARG 43 3HD ARG 43 -6.548 -10.648 -1.388 326 HE ARG 43 HE ARG 43 -8.018 -12.541 -2.882 327 HH11 ARG 43 2HH1 ARG 43 -8.601 -9.775 -0.777 328 HH12 ARG 43 1HH1 ARG 43 -10.096 -9.330 -1.567 329 HH21 ARG 43 2HH2 ARG 43 -9.965 -11.949 -3.904 330 HH22 ARG 43 1HH2 ARG 43 -10.867 -10.561 -3.337 331 H LYS 44 HN LYS 44 -6.184 -14.172 -5.058 332 HA LYS 44 HA LYS 44 -4.057 -14.734 -6.994 333 HB2 LYS 44 2HB LYS 44 -7.079 -14.806 -7.012 334 HB3 LYS 44 3HB LYS 44 -6.104 -15.051 -8.481 335 HG2 LYS 44 2HG LYS 44 -5.004 -16.982 -7.390 336 HG3 LYS 44 3HG LYS 44 -6.066 -16.759 -5.979 337 HD2 LYS 44 2HD LYS 44 -6.964 -18.495 -7.430 338 HD3 LYS 44 3HD LYS 44 -8.039 -17.076 -7.442 339 HE2 LYS 44 2HE LYS 44 -6.880 -16.334 -9.554 340 HE3 LYS 44 3HE LYS 44 -6.036 -17.897 -9.566 341 HZ1 LYS 44 3HZ LYS 44 -8.954 -17.527 -9.663 342 HZ2 LYS 44 1HZ LYS 44 -7.996 -17.936 -10.939 343 HZ3 LYS 44 2HZ LYS 44 -8.170 -18.977 -9.674 344 H GLY 45 HN GLY 45 -3.860 -13.649 -8.966 345 HA2 GLY 45 1HA GLY 45 -5.380 -11.148 -9.334 346 HA3 GLY 45 2HA GLY 45 -3.605 -11.037 -9.267 347 H VAL 46 HN VAL 46 -4.899 -10.242 -11.568 348 HA VAL 46 HA VAL 46 -4.407 -12.537 -13.405 349 HB VAL 46 HB VAL 46 -6.742 -11.726 -13.439 350 HG11 VAL 46 1HG1 VAL 46 -7.294 -9.500 -14.318 351 HG12 VAL 46 2HG1 VAL 46 -6.352 -9.396 -12.814 352 HG13 VAL 46 3HG1 VAL 46 -5.563 -9.099 -14.382 353 HG21 VAL 46 3HG2 VAL 46 -5.772 -12.686 -15.468 354 HG22 VAL 46 1HG2 VAL 46 -6.956 -11.420 -15.868 355 HG23 VAL 46 2HG2 VAL 46 -5.214 -11.073 -15.974 356 H VAL 47 HN VAL 47 -3.133 -12.233 -15.233 357 HA VAL 47 HA VAL 47 -1.196 -10.058 -14.937 358 HB VAL 47 HB VAL 47 -1.277 -12.287 -17.003 359 HG11 VAL 47 1HG1 VAL 47 1.120 -11.809 -17.258 360 HG12 VAL 47 2HG1 VAL 47 0.128 -10.382 -17.633 361 HG13 VAL 47 3HG1 VAL 47 0.981 -10.488 -16.075 362 HG21 VAL 47 3HG2 VAL 47 -1.212 -13.204 -14.731 363 HG22 VAL 47 1HG2 VAL 47 0.339 -13.457 -15.564 364 HG23 VAL 47 2HG2 VAL 47 0.185 -12.170 -14.347 365 H MET 48 HN MET 48 -1.550 -8.152 -15.811 366 HA MET 48 HA MET 48 -3.345 -7.912 -18.134 367 HB2 MET 48 2HB MET 48 -1.966 -5.812 -16.426 368 HB3 MET 48 3HB MET 48 -3.173 -5.496 -17.696 369 HG2 MET 48 2HG MET 48 -3.670 -7.086 -15.166 370 HG3 MET 48 3HG MET 48 -4.102 -5.385 -15.403 371 HE1 MET 48 3HE MET 48 -5.048 -5.373 -18.451 372 HE2 MET 48 1HE MET 48 -6.799 -5.613 -18.256 373 HE3 MET 48 2HE MET 48 -5.921 -4.542 -17.142 374 H GLU 49 HN GLU 49 0.043 -7.488 -17.212 375 HA GLU 49 HA GLU 49 0.679 -7.113 -20.095 376 HB2 GLU 49 2HB GLU 49 0.826 -4.941 -18.907 377 HB3 GLU 49 3HB GLU 49 2.000 -5.659 -17.781 378 HG2 GLU 49 2HG GLU 49 3.061 -4.294 -19.545 379 HG3 GLU 49 3HG GLU 49 3.587 -5.991 -19.568 380 HE2 GLU 49 2HE GLU 49 1.465 -4.626 -22.637 381 H ALA 50 HN ALA 50 2.622 -8.030 -20.792 382 HA ALA 50 HA ALA 50 3.269 -10.493 -19.575 383 HB1 ALA 50 1HB ALA 50 5.087 -10.600 -21.233 384 HB2 ALA 50 2HB ALA 50 3.573 -10.024 -21.967 385 HB3 ALA 50 3HB ALA 50 4.871 -8.869 -21.581 386 H ILE 51 HN ILE 51 4.822 -11.191 -18.229 387 HA ILE 51 HA ILE 51 6.474 -9.063 -16.961 388 HB ILE 51 HB ILE 51 5.379 -11.621 -15.714 389 HG12 ILE 51 2HG1 ILE 51 4.588 -8.730 -15.246 390 HG13 ILE 51 3HG1 ILE 51 3.648 -9.917 -16.181 391 HG21 ILE 51 1HG2 ILE 51 6.231 -10.698 -13.595 392 HG22 ILE 51 2HG2 ILE 51 7.543 -10.942 -14.772 393 HG23 ILE 51 3HG2 ILE 51 6.907 -9.307 -14.474 394 HD11 ILE 51 3HD1 ILE 51 4.321 -10.104 -13.234 395 HD12 ILE 51 1HD1 ILE 51 2.742 -9.651 -13.909 396 HD13 ILE 51 2HD1 ILE 51 3.379 -11.289 -14.169 397 H SER 52 HN SER 52 8.617 -9.309 -16.930 398 HA SER 52 HA SER 52 9.701 -12.045 -17.350 399 HB2 SER 52 2HB SER 52 11.602 -10.936 -18.602 400 HB3 SER 52 3HB SER 52 10.037 -10.952 -19.450 401 HG SER 52 HG SER 52 11.080 -8.903 -19.542 402 HA PRO 53 HA PRO 53 12.297 -11.498 -13.831 403 HB2 PRO 53 2HB PRO 53 14.722 -11.866 -15.588 404 HB3 PRO 53 3HB PRO 53 14.190 -12.761 -14.127 405 HG2 PRO 53 2HG PRO 53 13.963 -13.775 -16.585 406 HG3 PRO 53 3HG PRO 53 12.801 -14.160 -15.274 407 HD2 PRO 53 2HD PRO 53 12.520 -12.407 -17.689 408 HD3 PRO 53 3HD PRO 53 11.274 -13.315 -16.779 409 H GLN 54 HN GLN 54 13.571 -9.899 -16.784 410 HA GLN 54 HA GLN 54 14.918 -7.872 -15.165 411 HB2 GLN 54 2HB GLN 54 14.566 -8.100 -18.171 412 HB3 GLN 54 3HB GLN 54 15.587 -6.908 -17.334 413 HG2 GLN 54 2HG GLN 54 17.182 -8.432 -17.857 414 HG3 GLN 54 3HG GLN 54 16.657 -9.109 -16.300 415 HE21 GLN 54 1HE2 GLN 54 17.941 -10.427 -18.589 416 HE22 GLN 54 2HE2 GLN 54 16.854 -11.708 -19.081 417 H ASN 55 HN ASN 55 12.135 -8.048 -17.419 418 HA ASN 55 HA ASN 55 11.487 -5.249 -16.633 419 HB2 ASN 55 2HB ASN 55 11.884 -5.650 -19.051 420 HB3 ASN 55 3HB ASN 55 10.552 -6.825 -19.055 421 HD21 ASN 55 1HD2 ASN 55 11.437 -3.426 -18.787 422 HD22 ASN 55 2HD2 ASN 55 9.837 -2.779 -19.083 423 H SER 56 HN SER 56 10.188 -5.321 -14.924 424 HA SER 56 HA SER 56 8.329 -7.434 -14.412 425 HB2 SER 56 2HB SER 56 8.215 -4.604 -13.325 426 HB3 SER 56 3HB SER 56 7.599 -6.094 -12.570 427 HG SER 56 HG SER 56 9.619 -5.424 -11.697 428 H GLY 57 HN GLY 57 6.025 -7.330 -14.392 429 HA2 GLY 57 1HA GLY 57 5.042 -5.634 -16.634 430 HA3 GLY 57 2HA GLY 57 4.464 -7.276 -16.271 431 H LEU 58 HN LEU 58 2.318 -6.449 -16.246 432 HA LEU 58 HA LEU 58 1.709 -4.929 -13.756 433 HB2 LEU 58 2HB LEU 58 0.456 -4.694 -16.504 434 HB3 LEU 58 3HB LEU 58 -0.240 -3.986 -15.028 435 HG LEU 58 HG LEU 58 2.452 -3.301 -16.226 436 HD11 LEU 58 1HD1 LEU 58 1.402 -1.146 -16.791 437 HD12 LEU 58 2HD1 LEU 58 0.576 -2.503 -17.590 438 HD13 LEU 58 3HD1 LEU 58 -0.149 -1.738 -16.156 439 HD21 LEU 58 3HD2 LEU 58 2.412 -3.074 -13.782 440 HD22 LEU 58 1HD2 LEU 58 2.478 -1.480 -14.568 441 HD23 LEU 58 2HD2 LEU 58 0.943 -2.076 -13.893 442 H VAL 59 HN VAL 59 0.230 -5.794 -12.452 443 HA VAL 59 HA VAL 59 -1.538 -7.894 -13.584 444 HB VAL 59 HB VAL 59 -1.427 -9.094 -11.407 445 HG11 VAL 59 1HG1 VAL 59 0.758 -10.154 -11.780 446 HG12 VAL 59 2HG1 VAL 59 -0.092 -9.853 -13.312 447 HG13 VAL 59 3HG1 VAL 59 1.244 -8.789 -12.811 448 HG21 VAL 59 3HG2 VAL 59 -0.707 -7.227 -9.993 449 HG22 VAL 59 1HG2 VAL 59 0.397 -8.611 -9.828 450 HG23 VAL 59 2HG2 VAL 59 0.874 -7.206 -10.809 451 H LYS 60 HN LYS 60 -3.614 -8.052 -12.612 452 HA LYS 60 HA LYS 60 -4.326 -5.590 -11.097 453 HB2 LYS 60 2HB LYS 60 -5.354 -5.923 -13.371 454 HB3 LYS 60 3HB LYS 60 -6.165 -7.368 -12.722 455 HG2 LYS 60 2HG LYS 60 -7.318 -5.977 -11.063 456 HG3 LYS 60 3HG LYS 60 -6.506 -4.531 -11.711 457 HD2 LYS 60 2HD LYS 60 -8.718 -4.626 -12.642 458 HD3 LYS 60 3HD LYS 60 -7.557 -5.023 -13.931 459 HE2 LYS 60 2HE LYS 60 -8.008 -7.412 -13.617 460 HE3 LYS 60 3HE LYS 60 -9.144 -7.034 -12.303 461 HZ1 LYS 60 3HZ LYS 60 -9.442 -6.211 -15.114 462 HZ2 LYS 60 1HZ LYS 60 -10.280 -7.422 -14.374 463 HZ3 LYS 60 2HZ LYS 60 -10.496 -5.860 -13.895 464 H VAL 61 HN VAL 61 -4.702 -5.879 -9.025 465 HA VAL 61 HA VAL 61 -5.566 -8.575 -8.122 466 HB VAL 61 HB VAL 61 -4.374 -6.310 -6.475 467 HG11 VAL 61 1HG1 VAL 61 -4.096 -8.034 -4.741 468 HG12 VAL 61 2HG1 VAL 61 -5.806 -7.833 -5.192 469 HG13 VAL 61 3HG1 VAL 61 -4.880 -9.227 -5.802 470 HG21 VAL 61 3HG2 VAL 61 -2.745 -7.168 -8.096 471 HG22 VAL 61 1HG2 VAL 61 -2.306 -7.644 -6.440 472 HG23 VAL 61 2HG2 VAL 61 -3.053 -8.829 -7.536 473 H ASP 62 HN ASP 62 -7.671 -8.734 -7.899 474 HA ASP 62 HA ASP 62 -9.842 -8.281 -7.411 475 HB2 ASP 62 2HB ASP 62 -9.078 -7.800 -5.149 476 HB3 ASP 62 3HB ASP 62 -8.694 -6.127 -5.607 477 HD2 ASP 62 2HD ASP 62 -11.929 -5.145 -5.026 478 H GLY 63 HN GLY 63 -8.735 -4.889 -7.114 479 HA2 GLY 63 1HA GLY 63 -10.053 -4.358 -9.721 480 HA3 GLY 63 2HA GLY 63 -10.527 -3.432 -8.279 481 H GLU 64 HN GLU 64 -7.362 -3.971 -7.734 482 HA GLU 64 HA GLU 64 -6.683 -1.369 -8.997 483 HB2 GLU 64 2HB GLU 64 -5.509 -2.776 -6.580 484 HB3 GLU 64 3HB GLU 64 -4.907 -1.246 -7.263 485 HG2 GLU 64 2HG GLU 64 -7.199 -0.283 -6.865 486 HG3 GLU 64 3HG GLU 64 -7.593 -1.771 -5.976 487 HE2 GLU 64 2HE GLU 64 -5.355 0.965 -4.225 488 H THR 65 HN THR 65 -4.896 -1.133 -10.257 489 HA THR 65 HA THR 65 -3.636 -3.669 -11.112 490 HB THR 65 HB THR 65 -3.392 -0.929 -12.401 491 HG1 THR 65 1HG THR 65 -5.070 -1.710 -13.790 492 HG21 THR 65 3HG2 THR 65 -2.983 -3.744 -13.476 493 HG22 THR 65 1HG2 THR 65 -2.812 -2.241 -14.411 494 HG23 THR 65 2HG2 THR 65 -1.695 -2.584 -13.071 495 H TRP 66 HN TRP 66 -1.674 -4.189 -10.485 496 HA TRP 66 HA TRP 66 0.114 -2.036 -9.456 497 HB2 TRP 66 2HB TRP 66 -0.163 -4.891 -8.445 498 HB3 TRP 66 3HB TRP 66 0.987 -3.687 -7.847 499 HD1 TRP 66 1HD TRP 66 -2.648 -4.770 -7.531 500 HE1 TRP 66 1HE TRP 66 -3.809 -3.434 -5.686 501 HE3 TRP 66 3HE TRP 66 1.022 -1.311 -6.707 502 HZ2 TRP 66 2HZ TRP 66 -3.214 -1.174 -4.081 503 HZ3 TRP 66 3HZ TRP 66 0.653 0.414 -4.989 504 HH2 TRP 66 2HH TRP 66 -1.442 0.484 -3.701 505 H ARG 67 HN ARG 67 2.448 -2.690 -9.516 506 HA ARG 67 HA ARG 67 3.007 -4.082 -12.050 507 HB2 ARG 67 2HB ARG 67 5.093 -2.949 -10.194 508 HB3 ARG 67 3HB ARG 67 5.158 -3.173 -11.958 509 HG2 ARG 67 2HG ARG 67 4.947 -0.885 -11.767 510 HG3 ARG 67 3HG ARG 67 3.255 -1.392 -11.987 511 HD2 ARG 67 2HD ARG 67 2.945 -1.363 -9.537 512 HD3 ARG 67 3HD ARG 67 4.623 -0.812 -9.342 513 HE ARG 67 HE ARG 67 3.279 0.974 -11.081 514 HH11 ARG 67 2HH1 ARG 67 3.367 -0.003 -7.692 515 HH12 ARG 67 1HH1 ARG 67 2.774 1.533 -7.104 516 HH21 ARG 67 2HH2 ARG 67 2.477 2.964 -10.301 517 HH22 ARG 67 1HH2 ARG 67 2.270 3.214 -8.582 518 H ALA 68 HN ALA 68 4.556 -5.844 -12.128 519 HA ALA 68 HA ALA 68 4.958 -7.243 -9.571 520 HB1 ALA 68 1HB ALA 68 3.861 -9.298 -10.367 521 HB2 ALA 68 2HB ALA 68 2.714 -7.942 -10.276 522 HB3 ALA 68 3HB ALA 68 3.362 -8.455 -11.851 523 H THR 69 HN THR 69 6.637 -8.606 -9.534 524 HA THR 69 HA THR 69 8.107 -9.010 -12.097 525 HB THR 69 HB THR 69 9.460 -9.050 -9.399 526 HG1 THR 69 1HG THR 69 9.868 -6.792 -9.690 527 HG21 THR 69 3HG2 THR 69 10.379 -8.236 -12.180 528 HG22 THR 69 1HG2 THR 69 11.403 -8.301 -10.727 529 HG23 THR 69 2HG2 THR 69 10.704 -9.797 -11.388 530 H SER 70 HN SER 70 9.512 -10.998 -12.032 531 HA SER 70 HA SER 70 8.918 -13.062 -10.107 532 HB2 SER 70 2HB SER 70 6.807 -12.961 -11.557 533 HB3 SER 70 3HB SER 70 7.825 -13.535 -12.900 534 HG SER 70 HG SER 70 6.777 -15.250 -11.782 535 H GLY 71 HN GLY 71 9.898 -15.207 -10.890 536 HA2 GLY 71 1HA GLY 71 12.410 -14.558 -12.301 537 HA3 GLY 71 2HA GLY 71 12.066 -16.023 -11.354 538 H THR 72 HN THR 72 9.349 -15.933 -12.893 539 HA THR 72 HA THR 72 10.393 -17.400 -15.259 540 HB THR 72 HB THR 72 7.536 -17.594 -14.329 541 HG1 THR 72 1HG THR 72 8.212 -19.262 -12.872 542 HG21 THR 72 3HG2 THR 72 9.513 -19.607 -15.458 543 HG22 THR 72 1HG2 THR 72 7.794 -19.916 -15.126 544 HG23 THR 72 2HG2 THR 72 8.259 -18.746 -16.383 545 H VAL 73 HN VAL 73 8.867 -17.292 -17.196 546 HA VAL 73 HA VAL 73 8.236 -14.452 -17.649 547 HB VAL 73 HB VAL 73 8.215 -16.785 -19.601 548 HG11 VAL 73 1HG1 VAL 73 8.230 -15.044 -21.337 549 HG12 VAL 73 2HG1 VAL 73 6.790 -14.919 -20.301 550 HG13 VAL 73 3HG1 VAL 73 8.147 -13.790 -20.078 551 HG21 VAL 73 3HG2 VAL 73 10.455 -16.389 -18.682 552 HG22 VAL 73 1HG2 VAL 73 10.373 -15.902 -20.391 553 HG23 VAL 73 2HG2 VAL 73 10.333 -14.666 -19.112 554 H LEU 74 HN LEU 74 6.267 -13.748 -17.213 555 HA LEU 74 HA LEU 74 4.019 -15.684 -17.321 556 HB2 LEU 74 2HB LEU 74 4.198 -12.936 -16.048 557 HB3 LEU 74 3HB LEU 74 2.815 -14.052 -15.950 558 HG LEU 74 HG LEU 74 5.583 -14.571 -14.828 559 HD11 LEU 74 1HD1 LEU 74 4.522 -14.275 -12.628 560 HD12 LEU 74 2HD1 LEU 74 4.407 -12.797 -13.612 561 HD13 LEU 74 3HD1 LEU 74 2.989 -13.856 -13.426 562 HD21 LEU 74 3HD2 LEU 74 4.412 -16.618 -15.508 563 HD22 LEU 74 1HD2 LEU 74 4.526 -16.507 -13.736 564 HD23 LEU 74 2HD2 LEU 74 2.992 -16.128 -14.552 565 H ASP 75 HN ASP 75 2.397 -15.485 -18.764 566 HA ASP 75 HA ASP 75 2.711 -13.303 -20.750 567 HB2 ASP 75 2HB ASP 75 2.681 -15.844 -21.321 568 HB3 ASP 75 3HB ASP 75 0.927 -15.715 -21.068 569 HD2 ASP 75 2HD ASP 75 2.506 -14.136 -24.334 570 H VAL 76 HN VAL 76 0.535 -12.737 -21.837 571 HA VAL 76 HA VAL 76 -0.978 -11.480 -19.685 572 HB VAL 76 HB VAL 76 -1.305 -11.277 -22.704 573 HG11 VAL 76 1HG1 VAL 76 -2.568 -9.219 -22.230 574 HG12 VAL 76 2HG1 VAL 76 -3.342 -10.641 -21.497 575 HG13 VAL 76 3HG1 VAL 76 -2.400 -9.520 -20.485 576 HG21 VAL 76 3HG2 VAL 76 0.901 -10.523 -21.943 577 HG22 VAL 76 1HG2 VAL 76 -0.089 -9.149 -22.488 578 HG23 VAL 76 2HG2 VAL 76 0.130 -9.452 -20.749 579 H GLY 77 HN GLY 77 -2.961 -11.988 -18.958 580 HA2 GLY 77 1HA GLY 77 -5.198 -12.796 -19.378 581 HA3 GLY 77 2HA GLY 77 -4.529 -13.945 -20.560 582 H GLU 78 HN GLU 78 -2.275 -14.252 -18.388 583 HA GLU 78 HA GLU 78 -3.444 -16.603 -17.176 584 HB2 GLU 78 2HB GLU 78 -0.791 -15.197 -17.109 585 HB3 GLU 78 3HB GLU 78 -1.156 -16.471 -15.921 586 HG2 GLU 78 2HG GLU 78 -1.280 -16.798 -18.923 587 HG3 GLU 78 3HG GLU 78 0.082 -17.290 -17.893 588 HE2 GLU 78 2HE GLU 78 -2.103 -19.783 -16.416 589 H GLU 79 HN GLU 79 -3.090 -17.011 -14.822 590 HA GLU 79 HA GLU 79 -3.774 -14.581 -13.242 591 HB2 GLU 79 2HB GLU 79 -4.615 -17.459 -12.793 592 HB3 GLU 79 3HB GLU 79 -4.931 -16.110 -11.675 593 HG2 GLU 79 2HG GLU 79 -6.131 -14.999 -13.645 594 HG3 GLU 79 3HG GLU 79 -6.075 -16.596 -14.420 595 HE2 GLU 79 2HE GLU 79 -8.737 -15.959 -11.617 596 H VAL 80 HN VAL 80 -2.700 -14.257 -11.318 597 HA VAL 80 HA VAL 80 -0.493 -16.179 -10.802 598 HB VAL 80 HB VAL 80 0.887 -14.225 -10.065 599 HG11 VAL 80 1HG1 VAL 80 1.477 -13.469 -12.328 600 HG12 VAL 80 2HG1 VAL 80 1.187 -15.223 -12.281 601 HG13 VAL 80 3HG1 VAL 80 -0.053 -14.133 -12.947 602 HG21 VAL 80 3HG2 VAL 80 -0.934 -12.641 -9.631 603 HG22 VAL 80 1HG2 VAL 80 0.239 -11.961 -10.781 604 HG23 VAL 80 2HG2 VAL 80 -1.316 -12.593 -11.369 605 H SER 81 HN SER 81 0.337 -16.189 -8.633 606 HA SER 81 HA SER 81 -1.674 -15.276 -6.631 607 HB2 SER 81 2HB SER 81 0.446 -17.435 -6.347 608 HB3 SER 81 3HB SER 81 -0.834 -17.029 -5.180 609 HG SER 81 HG SER 81 -1.369 -18.838 -6.495 610 H VAL 82 HN VAL 82 -1.074 -13.705 -5.257 611 HA VAL 82 HA VAL 82 1.535 -12.504 -5.573 612 HB VAL 82 HB VAL 82 -0.591 -11.907 -3.480 613 HG11 VAL 82 1HG1 VAL 82 0.486 -9.700 -3.343 614 HG12 VAL 82 2HG1 VAL 82 1.620 -11.006 -2.929 615 HG13 VAL 82 3HG1 VAL 82 1.706 -10.224 -4.526 616 HG21 VAL 82 3HG2 VAL 82 -1.510 -11.715 -5.745 617 HG22 VAL 82 1HG2 VAL 82 -1.343 -10.114 -4.989 618 HG23 VAL 82 2HG2 VAL 82 -0.163 -10.648 -6.209 619 H LYS 83 HN LYS 83 3.301 -13.323 -4.734 620 HA LYS 83 HA LYS 83 3.168 -15.047 -2.383 621 HB2 LYS 83 2HB LYS 83 5.270 -14.250 -4.380 622 HB3 LYS 83 3HB LYS 83 5.737 -15.024 -2.847 623 HG2 LYS 83 2HG LYS 83 3.783 -16.199 -4.835 624 HG3 LYS 83 3HG LYS 83 5.513 -16.608 -4.746 625 HD2 LYS 83 2HD LYS 83 5.230 -17.313 -2.421 626 HD3 LYS 83 3HD LYS 83 3.502 -16.892 -2.501 627 HE2 LYS 83 2HE LYS 83 3.153 -18.585 -4.228 628 HE3 LYS 83 3HE LYS 83 4.884 -18.983 -4.209 629 HZ1 LYS 83 3HZ LYS 83 3.030 -19.295 -1.943 630 HZ2 LYS 83 1HZ LYS 83 3.606 -20.516 -2.889 631 HZ3 LYS 83 2HZ LYS 83 4.637 -19.664 -1.926 632 H ALA 84 HN ALA 84 4.780 -11.978 -3.322 633 HA ALA 84 HA ALA 84 4.714 -11.113 -0.531 634 HB1 ALA 84 1HB ALA 84 7.149 -10.787 -0.363 635 HB2 ALA 84 2HB ALA 84 6.736 -12.505 -0.579 636 HB3 ALA 84 3HB ALA 84 7.360 -11.560 -1.952 637 H ILE 85 HN ILE 85 5.756 -8.928 -0.287 638 HA ILE 85 HA ILE 85 5.220 -7.337 -2.746 639 HB ILE 85 HB ILE 85 5.334 -6.275 0.095 640 HG12 ILE 85 2HG1 ILE 85 3.648 -8.043 0.073 641 HG13 ILE 85 3HG1 ILE 85 2.900 -6.434 0.225 642 HG21 ILE 85 1HG2 ILE 85 3.963 -4.459 -0.833 643 HG22 ILE 85 2HG2 ILE 85 5.491 -4.645 -1.725 644 HG23 ILE 85 3HG2 ILE 85 3.973 -5.264 -2.419 645 HD11 ILE 85 3HD1 ILE 85 3.051 -8.095 -2.301 646 HD12 ILE 85 1HD1 ILE 85 1.608 -7.878 -1.289 647 HD13 ILE 85 2HD1 ILE 85 2.302 -6.487 -2.147 648 H GLU 86 HN GLU 86 6.962 -6.307 -3.670 649 HA GLU 86 HA GLU 86 9.493 -6.429 -2.131 650 HB2 GLU 86 2HB GLU 86 10.586 -6.006 -4.284 651 HB3 GLU 86 3HB GLU 86 9.526 -7.435 -4.346 652 HG2 GLU 86 2HG GLU 86 7.899 -6.300 -5.620 653 HG3 GLU 86 3HG GLU 86 8.625 -4.714 -5.285 654 HE2 GLU 86 2HE GLU 86 10.013 -6.836 -8.295 655 H GLY 87 HN GLY 87 7.055 -4.371 -2.291 656 HA2 GLY 87 1HA GLY 87 7.575 -2.179 -1.221 657 HA3 GLY 87 2HA GLY 87 8.834 -1.985 -2.463 658 H VAL 88 HN VAL 88 8.333 -1.142 -4.387 659 HA VAL 88 HA VAL 88 5.661 -0.030 -4.683 660 HB VAL 88 HB VAL 88 7.733 1.227 -5.277 661 HG11 VAL 88 1HG1 VAL 88 8.893 0.738 -7.386 662 HG12 VAL 88 2HG1 VAL 88 9.022 -0.613 -6.237 663 HG13 VAL 88 3HG1 VAL 88 7.884 -0.710 -7.603 664 HG21 VAL 88 3HG2 VAL 88 5.568 1.889 -6.194 665 HG22 VAL 88 1HG2 VAL 88 6.874 2.201 -7.360 666 HG23 VAL 88 2HG2 VAL 88 5.810 0.794 -7.576 667 H LYS 89 HN LYS 89 7.221 -2.923 -5.596 668 HA LYS 89 HA LYS 89 5.066 -3.438 -7.586 669 HB2 LYS 89 2HB LYS 89 7.894 -4.538 -7.649 670 HB3 LYS 89 3HB LYS 89 6.601 -4.843 -8.835 671 HG2 LYS 89 2HG LYS 89 6.606 -2.313 -9.230 672 HG3 LYS 89 3HG LYS 89 8.145 -2.298 -8.337 673 HD2 LYS 89 2HD LYS 89 7.557 -3.916 -10.835 674 HD3 LYS 89 3HD LYS 89 8.486 -2.399 -10.772 675 HE2 LYS 89 2HE LYS 89 9.228 -5.010 -9.420 676 HE3 LYS 89 3HE LYS 89 9.957 -4.353 -10.901 677 HZ1 LYS 89 3HZ LYS 89 10.058 -3.103 -8.243 678 HZ2 LYS 89 1HZ LYS 89 11.299 -3.903 -8.975 679 HZ3 LYS 89 2HZ LYS 89 10.736 -2.494 -9.617 680 H LEU 90 HN LEU 90 5.064 -6.012 -7.952 681 HA LEU 90 HA LEU 90 4.926 -7.175 -5.207 682 HB2 LEU 90 2HB LEU 90 3.119 -7.815 -7.554 683 HB3 LEU 90 3HB LEU 90 2.969 -8.405 -5.882 684 HG LEU 90 HG LEU 90 2.535 -5.573 -6.856 685 HD11 LEU 90 1HD1 LEU 90 0.202 -5.974 -6.188 686 HD12 LEU 90 2HD1 LEU 90 0.730 -7.128 -7.434 687 HD13 LEU 90 3HD1 LEU 90 0.621 -7.642 -5.733 688 HD21 LEU 90 3HD2 LEU 90 3.545 -5.593 -4.625 689 HD22 LEU 90 1HD2 LEU 90 1.846 -5.074 -4.550 690 HD23 LEU 90 2HD2 LEU 90 2.292 -6.725 -4.063 691 H VAL 91 HN VAL 91 5.456 -9.358 -4.968 692 HA VAL 91 HA VAL 91 6.881 -10.557 -7.283 693 HB VAL 91 HB VAL 91 6.898 -11.400 -4.358 694 HG11 VAL 91 1HG1 VAL 91 8.818 -12.797 -5.005 695 HG12 VAL 91 2HG1 VAL 91 7.354 -13.241 -5.913 696 HG13 VAL 91 3HG1 VAL 91 8.629 -12.273 -6.693 697 HG21 VAL 91 3HG2 VAL 91 7.937 -9.200 -4.660 698 HG22 VAL 91 1HG2 VAL 91 9.158 -10.434 -4.272 699 HG23 VAL 91 2HG2 VAL 91 8.976 -9.861 -5.946 700 H VAL 92 HN VAL 92 5.616 -11.833 -8.498 701 HA VAL 92 HA VAL 92 3.556 -13.441 -7.073 702 HB VAL 92 HB VAL 92 2.067 -13.168 -9.026 703 HG11 VAL 92 1HG1 VAL 92 1.413 -10.832 -8.623 704 HG12 VAL 92 2HG1 VAL 92 1.825 -11.664 -7.107 705 HG13 VAL 92 3HG1 VAL 92 2.982 -10.529 -7.842 706 HG21 VAL 92 3HG2 VAL 92 3.774 -12.771 -10.739 707 HG22 VAL 92 1HG2 VAL 92 2.553 -11.479 -10.747 708 HG23 VAL 92 2HG2 VAL 92 4.146 -11.190 -10.011 709 H GLU 93 HN GLU 93 2.864 -15.379 -8.169 710 HA GLU 93 HA GLU 93 4.786 -16.364 -10.214 711 HB2 GLU 93 2HB GLU 93 3.767 -17.893 -7.801 712 HB3 GLU 93 3HB GLU 93 4.647 -18.618 -9.167 713 HG2 GLU 93 2HG GLU 93 6.566 -17.112 -8.648 714 HG3 GLU 93 3HG GLU 93 5.688 -16.562 -7.204 715 HE2 GLU 93 2HE GLU 93 6.786 -19.290 -5.439 716 H LYS 94 HN LYS 94 3.920 -18.271 -11.406 717 HA LYS 94 HA LYS 94 1.311 -17.580 -12.406 718 HB2 LYS 94 2HB LYS 94 3.236 -18.538 -13.732 719 HB3 LYS 94 3HB LYS 94 2.914 -20.099 -12.938 720 HG2 LYS 94 2HG LYS 94 0.577 -19.981 -13.893 721 HG3 LYS 94 3HG LYS 94 1.119 -18.580 -14.846 722 HD2 LYS 94 2HD LYS 94 2.995 -20.048 -15.720 723 HD3 LYS 94 3HD LYS 94 2.165 -21.423 -14.953 724 HE2 LYS 94 2HE LYS 94 1.024 -19.611 -17.102 725 HE3 LYS 94 3HE LYS 94 1.619 -21.268 -17.335 726 HZ1 LYS 94 3HZ LYS 94 -0.669 -20.491 -15.655 727 HZ2 LYS 94 1HZ LYS 94 -0.765 -21.200 -17.140 728 HZ3 LYS 94 2HZ LYS 94 -0.116 -22.029 -15.873 729 H LEU 95 HN LEU 95 -0.634 -18.345 -11.875 730 HA LEU 95 HA LEU 95 -0.985 -20.134 -9.667 731 HB2 LEU 95 2HB LEU 95 -2.564 -18.346 -10.524 732 HB3 LEU 95 3HB LEU 95 -2.990 -19.477 -11.830 733 HG LEU 95 HG LEU 95 -4.553 -19.290 -9.822 734 HD11 LEU 95 1HD1 LEU 95 -5.103 -21.687 -9.886 735 HD12 LEU 95 2HD1 LEU 95 -4.726 -21.056 -11.505 736 HD13 LEU 95 3HD1 LEU 95 -3.521 -22.024 -10.623 737 HD21 LEU 95 3HD2 LEU 95 -2.842 -19.360 -8.071 738 HD22 LEU 95 1HD2 LEU 95 -4.000 -20.696 -7.879 739 HD23 LEU 95 2HD2 LEU 95 -2.391 -21.008 -8.568 740 H GLU 96 HN GLU 96 -1.327 -22.299 -9.596 741 HA GLU 96 HA GLU 96 -0.274 -23.682 -11.938 742 HB2 GLU 96 2HB GLU 96 -1.013 -24.704 -9.185 743 HB3 GLU 96 3HB GLU 96 -0.230 -25.662 -10.465 744 HG2 GLU 96 2HG GLU 96 1.602 -23.858 -10.416 745 HG3 GLU 96 3HG GLU 96 0.884 -23.364 -8.869 746 HE2 GLU 96 2HE GLU 96 3.058 -26.644 -9.003 747 H GLU 97 HN GLU 97 -1.949 -23.617 -13.457 748 HA GLU 97 HA GLU 97 -4.254 -25.355 -12.811 749 HB2 GLU 97 2HB GLU 97 -4.636 -23.349 -14.198 750 HB3 GLU 97 3HB GLU 97 -3.480 -23.970 -15.400 751 HG2 GLU 97 2HG GLU 97 -5.772 -24.369 -16.113 752 HG3 GLU 97 3HG GLU 97 -4.930 -25.903 -15.805 753 HE2 GLU 97 2HE GLU 97 -7.117 -26.736 -13.246 754 H GLN 98 HN GLN 98 -3.386 -27.363 -12.497 755 HA GLN 98 HA GLN 98 -1.289 -28.282 -14.363 756 HB2 GLN 98 2HB GLN 98 -2.364 -29.571 -11.834 757 HB3 GLN 98 3HB GLN 98 -0.913 -30.054 -12.745 758 HG2 GLN 98 2HG GLN 98 0.151 -27.923 -12.199 759 HG3 GLN 98 3HG GLN 98 -1.305 -27.410 -11.320 760 HE21 GLN 98 1HE2 GLN 98 1.450 -27.692 -10.339 761 HE22 GLN 98 2HE2 GLN 98 1.375 -28.842 -9.020 762 H LYS 99 HN LYS 99 -1.375 -30.471 -15.205 763 HA LYS 99 HA LYS 99 -2.366 -32.203 -16.314 764 HB2 LYS 99 2HB LYS 99 -4.794 -31.577 -14.600 765 HB3 LYS 99 3HB LYS 99 -4.561 -33.039 -15.590 766 HG2 LYS 99 2HG LYS 99 -2.847 -33.845 -14.194 767 HG3 LYS 99 3HG LYS 99 -2.631 -32.265 -13.404 768 HD2 LYS 99 2HD LYS 99 -5.085 -34.039 -13.182 769 HD3 LYS 99 3HD LYS 99 -3.815 -33.862 -11.948 770 HE2 LYS 99 2HE LYS 99 -4.331 -31.444 -11.801 771 HE3 LYS 99 3HE LYS 99 -5.641 -31.670 -12.981 772 HZ1 LYS 99 3HZ LYS 99 -5.480 -32.947 -10.335 773 HZ2 LYS 99 1HZ LYS 99 -6.459 -31.682 -10.733 774 HZ3 LYS 99 2HZ LYS 99 -6.696 -33.156 -11.430 775 H GLY 100 HN GLY 100 -4.978 -32.556 -17.275 776 HA2 GLY 100 1HA GLY 100 -6.087 -30.212 -18.426 777 HA3 GLY 100 2HA GLY 100 -4.937 -30.934 -19.574 778 H SER 101 HN SER 101 -7.113 -31.024 -20.762 779 HA SER 101 HA SER 101 -8.778 -32.296 -21.665 780 HB2 SER 101 2HB SER 101 -7.464 -34.662 -20.287 781 HB3 SER 101 3HB SER 101 -8.458 -34.672 -21.764 782 HG SER 101 HG SER 101 -6.201 -34.767 -22.209 Start of MODEL 5 1 H1 MET 1 HN MET 1 -64.790 2.683 -3.259 2 HA MET 1 HA MET 1 -66.381 4.135 -1.408 3 HB2 MET 1 2HB MET 1 -66.653 1.942 -0.293 4 HB3 MET 1 3HB MET 1 -64.884 1.814 -0.142 5 HG2 MET 1 2HG MET 1 -64.886 3.872 1.241 6 HG3 MET 1 3HG MET 1 -66.654 3.916 1.140 7 HE1 MET 1 3HE MET 1 -63.510 2.055 2.553 8 HE2 MET 1 1HE MET 1 -64.226 0.608 3.300 9 HE3 MET 1 2HE MET 1 -64.243 0.795 1.532 10 H GLY 2 HN GLY 2 -65.195 5.924 -1.745 11 HA2 GLY 2 1HA GLY 2 -62.255 5.722 -1.516 12 HA3 GLY 2 2HA GLY 2 -63.182 7.116 -2.113 13 H SER 3 HN SER 3 -62.252 5.277 0.782 14 HA SER 3 HA SER 3 -63.441 7.117 2.635 15 HB2 SER 3 2HB SER 3 -62.818 4.740 3.140 16 HB3 SER 3 3HB SER 3 -61.106 5.224 3.087 17 HG SER 3 HG SER 3 -61.968 5.233 5.221 18 H SER 4 HN SER 4 -62.777 9.048 3.297 19 HA SER 4 HA SER 4 -60.286 10.123 2.226 20 HB2 SER 4 2HB SER 4 -61.068 12.217 3.383 21 HB3 SER 4 3HB SER 4 -62.220 11.556 2.198 22 HG SER 4 HG SER 4 -63.227 12.154 4.179 23 H HIS 5 HN HIS 5 -58.409 9.758 3.188 24 HA HIS 5 HA HIS 5 -58.401 9.553 6.163 25 HB2 HIS 5 2HB HIS 5 -57.713 7.496 4.926 26 HB3 HIS 5 3HB HIS 5 -56.402 8.423 4.172 27 HD1 HIS 5 1HD HIS 5 -54.256 8.680 5.471 28 HD2 HIS 5 2HD HIS 5 -57.367 7.114 7.773 29 HE1 HIS 5 1HE HIS 5 -53.213 7.943 7.658 30 HE2 HIS 5 2HE HIS 5 -55.108 6.991 9.054 31 H HIS 6 HN HIS 6 -58.067 11.654 6.736 32 HA HIS 6 HA HIS 6 -55.651 12.972 5.587 33 HB2 HIS 6 2HB HIS 6 -57.795 14.190 5.286 34 HB3 HIS 6 3HB HIS 6 -58.026 14.191 7.044 35 HD1 HIS 6 1HD HIS 6 -56.998 16.080 8.332 36 HD2 HIS 6 2HD HIS 6 -55.485 15.785 4.449 37 HE1 HIS 6 1HE HIS 6 -55.527 18.114 7.990 38 HE2 HIS 6 2HE HIS 6 -54.616 17.932 5.629 39 H HIS 7 HN HIS 7 -53.984 13.531 6.938 40 HA HIS 7 HA HIS 7 -54.440 13.236 9.849 41 HB2 HIS 7 2HB HIS 7 -52.613 11.769 10.186 42 HB3 HIS 7 3HB HIS 7 -53.558 11.066 8.861 43 HD1 HIS 7 1HD HIS 7 -52.490 11.145 6.453 44 HD2 HIS 7 2HD HIS 7 -50.008 12.505 9.529 45 HE1 HIS 7 1HE HIS 7 -50.148 11.249 5.483 46 HE2 HIS 7 2HE HIS 7 -48.651 12.078 7.354 47 H HIS 8 HN HIS 8 -52.990 14.418 11.163 48 HA HIS 8 HA HIS 8 -51.273 16.316 9.633 49 HB2 HIS 8 2HB HIS 8 -53.198 17.295 10.944 50 HB3 HIS 8 3HB HIS 8 -52.411 16.700 12.419 51 HD1 HIS 8 1HD HIS 8 -52.308 19.423 9.898 52 HD2 HIS 8 2HD HIS 8 -49.952 18.039 13.055 53 HE1 HIS 8 1HE HIS 8 -50.659 21.273 10.408 54 HE2 HIS 8 2HE HIS 8 -49.227 20.433 12.330 55 H HIS 9 HN HIS 9 -49.260 15.581 9.655 56 HA HIS 9 HA HIS 9 -48.093 14.758 12.262 57 HB2 HIS 9 2HB HIS 9 -48.847 12.756 10.864 58 HB3 HIS 9 3HB HIS 9 -47.626 13.246 9.674 59 HD1 HIS 9 1HD HIS 9 -45.120 12.954 10.332 60 HD2 HIS 9 2HD HIS 9 -47.846 11.498 13.146 61 HE1 HIS 9 1HE HIS 9 -43.787 11.506 11.926 62 HE2 HIS 9 2HE HIS 9 -45.446 10.626 13.630 63 H HIS 10 HN HIS 10 -46.023 15.540 12.552 64 HA HIS 10 HA HIS 10 -45.049 17.189 10.284 65 HB2 HIS 10 2HB HIS 10 -43.828 18.518 11.888 66 HB3 HIS 10 3HB HIS 10 -45.531 18.406 12.368 67 HD1 HIS 10 1HD HIS 10 -42.072 17.671 13.520 68 HD2 HIS 10 2HD HIS 10 -45.992 16.824 14.698 69 HE1 HIS 10 1HE HIS 10 -41.935 16.845 15.913 70 HE2 HIS 10 2HE HIS 10 -44.317 16.338 16.622 71 H SER 11 HN SER 11 -43.135 16.893 9.358 72 HA SER 11 HA SER 11 -41.349 14.829 10.549 73 HB2 SER 11 2HB SER 11 -40.460 14.725 8.128 74 HB3 SER 11 3HB SER 11 -42.037 13.977 8.471 75 HG SER 11 HG SER 11 -42.069 15.297 6.586 76 H SER 12 HN SER 12 -39.976 15.991 11.767 77 HA SER 12 HA SER 12 -38.561 18.240 10.429 78 HB2 SER 12 2HB SER 12 -38.566 19.212 12.874 79 HB3 SER 12 3HB SER 12 -39.984 19.438 11.821 80 HG SER 12 HG SER 12 -40.549 18.690 13.927 81 H GLY 13 HN GLY 13 -36.415 18.581 11.052 82 HA2 GLY 13 1HA GLY 13 -34.863 17.672 12.997 83 HA3 GLY 13 2HA GLY 13 -35.169 16.143 12.141 84 H ARG 14 HN ARG 14 -32.657 17.672 12.569 85 HA ARG 14 HA ARG 14 -31.875 17.806 9.704 86 HB2 ARG 14 2HB ARG 14 -30.921 19.713 11.867 87 HB3 ARG 14 3HB ARG 14 -30.411 19.700 10.161 88 HG2 ARG 14 2HG ARG 14 -32.671 20.332 9.475 89 HG3 ARG 14 3HG ARG 14 -33.193 20.333 11.177 90 HD2 ARG 14 2HD ARG 14 -31.359 22.030 11.612 91 HD3 ARG 14 3HD ARG 14 -31.160 22.145 9.849 92 HE ARG 14 HE ARG 14 -33.780 22.641 10.074 93 HH11 ARG 14 2HH1 ARG 14 -30.988 23.922 11.802 94 HH12 ARG 14 1HH1 ARG 14 -31.775 25.427 12.220 95 HH21 ARG 14 2HH2 ARG 14 -34.822 24.586 10.678 96 HH22 ARG 14 1HH2 ARG 14 -33.949 25.803 11.583 97 H GLU 15 HN GLU 15 -29.767 17.075 9.274 98 HA GLU 15 HA GLU 15 -28.324 15.975 11.628 99 HB2 GLU 15 2HB GLU 15 -27.032 14.639 10.038 100 HB3 GLU 15 3HB GLU 15 -28.776 14.314 9.907 101 HG2 GLU 15 2HG GLU 15 -27.350 16.213 8.049 102 HG3 GLU 15 3HG GLU 15 -27.423 14.464 7.746 103 HE2 GLU 15 2HE GLU 15 -30.725 14.638 6.750 104 H ASN 16 HN ASN 16 -26.527 16.976 12.308 105 HA ASN 16 HA ASN 16 -25.583 19.226 10.624 106 HB2 ASN 16 2HB ASN 16 -25.456 18.678 13.589 107 HB3 ASN 16 3HB ASN 16 -24.408 19.890 12.822 108 HD21 ASN 16 1HD2 ASN 16 -26.415 20.656 10.806 109 HD22 ASN 16 2HD2 ASN 16 -27.601 21.622 11.660 110 H LEU 17 HN LEU 17 -23.435 19.571 10.176 111 HA LEU 17 HA LEU 17 -21.496 17.520 10.986 112 HB2 LEU 17 2HB LEU 17 -20.813 17.158 8.603 113 HB3 LEU 17 3HB LEU 17 -22.382 16.452 9.060 114 HG LEU 17 HG LEU 17 -23.359 18.646 8.034 115 HD11 LEU 17 1HD1 LEU 17 -22.044 19.531 6.152 116 HD12 LEU 17 2HD1 LEU 17 -21.219 19.791 7.704 117 HD13 LEU 17 3HD1 LEU 17 -20.682 18.488 6.617 118 HD21 LEU 17 3HD2 LEU 17 -23.726 16.378 7.181 119 HD22 LEU 17 1HD2 LEU 17 -23.508 17.533 5.846 120 HD23 LEU 17 2HD2 LEU 17 -22.175 16.448 6.309 121 H TYR 18 HN TYR 18 -19.287 18.081 10.343 122 HA TYR 18 HA TYR 18 -18.946 20.916 9.585 123 HB2 TYR 18 2HB TYR 18 -17.164 21.116 11.354 124 HB3 TYR 18 3HB TYR 18 -18.837 21.090 11.937 125 HD1 TYR 18 2HD TYR 18 -19.717 19.016 13.057 126 HD2 TYR 18 1HD TYR 18 -15.593 19.442 12.056 127 HE1 TYR 18 2HE TYR 18 -19.150 17.212 14.622 128 HE2 TYR 18 1HE TYR 18 -15.028 17.644 13.632 129 HH TYR 18 HH TYR 18 -17.504 15.949 15.549 130 H PHE 19 HN PHE 19 -16.875 21.401 8.681 131 HA PHE 19 HA PHE 19 -15.935 19.073 7.178 132 HB2 PHE 19 2HB PHE 19 -15.201 22.012 6.990 133 HB3 PHE 19 3HB PHE 19 -14.674 20.747 5.866 134 HD1 PHE 19 1HD PHE 19 -16.353 19.610 4.422 135 HD2 PHE 19 2HD PHE 19 -17.380 22.971 6.830 136 HE1 PHE 19 1HE PHE 19 -18.396 19.934 3.099 137 HE2 PHE 19 2HE PHE 19 -19.421 23.300 5.507 138 HZ PHE 19 HZ PHE 19 -19.934 21.780 3.638 139 H GLN 20 HN GLN 20 -14.259 21.769 8.853 140 HA GLN 20 HA GLN 20 -12.256 21.876 9.940 141 HB2 GLN 20 2HB GLN 20 -13.451 20.184 11.392 142 HB3 GLN 20 3HB GLN 20 -12.578 18.916 10.497 143 HG2 GLN 20 2HG GLN 20 -11.414 19.328 12.546 144 HG3 GLN 20 3HG GLN 20 -10.435 19.972 11.210 145 HE21 GLN 20 1HE2 GLN 20 -9.300 21.387 12.577 146 HE22 GLN 20 2HE2 GLN 20 -10.044 22.828 13.239 147 H GLY 21 HN GLY 21 -10.891 22.338 8.237 148 HA2 GLY 21 1HA GLY 21 -9.675 19.968 6.901 149 HA3 GLY 21 2HA GLY 21 -9.888 21.562 6.142 150 H HIS 22 HN HIS 22 -7.476 20.273 6.083 151 HA HIS 22 HA HIS 22 -5.261 20.787 6.288 152 HB2 HIS 22 2HB HIS 22 -6.154 23.188 6.312 153 HB3 HIS 22 3HB HIS 22 -5.979 23.122 8.075 154 HD1 HIS 22 1HD HIS 22 -3.768 23.848 8.965 155 HD2 HIS 22 2HD HIS 22 -3.557 22.661 4.966 156 HE1 HIS 22 1HE HIS 22 -1.389 24.309 8.216 157 HE2 HIS 22 2HE HIS 22 -1.269 23.584 5.787 158 H MET 23 HN MET 23 -3.466 20.974 8.003 159 HA MET 23 HA MET 23 -4.097 19.037 10.074 160 HB2 MET 23 2HB MET 23 -1.957 19.047 8.819 161 HB3 MET 23 3HB MET 23 -1.548 20.605 9.576 162 HG2 MET 23 2HG MET 23 -1.573 19.535 11.786 163 HG3 MET 23 3HG MET 23 -1.979 17.983 11.034 164 HE1 MET 23 3HE MET 23 0.093 16.828 12.227 165 HE2 MET 23 1HE MET 23 1.757 17.450 12.150 166 HE3 MET 23 2HE MET 23 0.502 18.378 13.002 167 H ALA 24 HN ALA 24 -5.692 20.230 11.246 168 HA ALA 24 HA ALA 24 -4.453 21.796 13.397 169 HB1 ALA 24 1HB ALA 24 -6.127 23.601 13.253 170 HB2 ALA 24 2HB ALA 24 -5.127 23.528 11.783 171 HB3 ALA 24 3HB ALA 24 -6.782 22.873 11.767 172 H ALA 25 HN ALA 25 -5.353 21.355 15.321 173 HA ALA 25 HA ALA 25 -6.687 20.387 16.889 174 HB1 ALA 25 1HB ALA 25 -9.119 20.237 16.514 175 HB2 ALA 25 2HB ALA 25 -8.474 21.808 15.984 176 HB3 ALA 25 3HB ALA 25 -8.868 20.556 14.782 177 H ARG 26 HN ARG 26 -8.680 18.476 16.816 178 HA ARG 26 HA ARG 26 -9.015 16.230 16.703 179 HB2 ARG 26 2HB ARG 26 -8.865 16.872 14.158 180 HB3 ARG 26 3HB ARG 26 -7.324 15.986 14.229 181 HG2 ARG 26 2HG ARG 26 -9.960 14.807 15.136 182 HG3 ARG 26 3HG ARG 26 -9.343 14.658 13.473 183 HD2 ARG 26 2HD ARG 26 -7.494 13.358 14.159 184 HD3 ARG 26 3HD ARG 26 -7.705 13.805 15.865 185 HE ARG 26 HE ARG 26 -10.043 12.537 15.304 186 HH11 ARG 26 2HH1 ARG 26 -6.682 11.626 14.723 187 HH12 ARG 26 1HH1 ARG 26 -6.993 9.915 14.904 188 HH21 ARG 26 2HH2 ARG 26 -10.420 10.330 15.570 189 HH22 ARG 26 1HH2 ARG 26 -9.112 9.182 15.384 190 H ILE 27 HN ILE 27 -7.964 15.522 18.486 191 HA ILE 27 HA ILE 27 -5.078 15.364 18.569 192 HB ILE 27 HB ILE 27 -5.398 14.269 20.757 193 HG12 ILE 27 2HG1 ILE 27 -8.365 14.455 20.167 194 HG13 ILE 27 3HG1 ILE 27 -7.407 12.956 20.104 195 HG21 ILE 27 1HG2 ILE 27 -6.543 16.130 21.893 196 HG22 ILE 27 2HG2 ILE 27 -5.465 16.720 20.607 197 HG23 ILE 27 3HG2 ILE 27 -7.223 16.661 20.337 198 HD11 ILE 27 3HD1 ILE 27 -7.841 14.688 22.550 199 HD12 ILE 27 1HD1 ILE 27 -8.641 13.136 22.225 200 HD13 ILE 27 2HD1 ILE 27 -6.885 13.189 22.487 201 H THR 28 HN THR 28 -4.390 13.041 19.714 202 HA THR 28 HA THR 28 -3.822 10.872 19.275 203 HB THR 28 HB THR 28 -6.137 10.518 17.364 204 HG1 THR 28 1HG THR 28 -7.448 10.158 19.241 205 HG21 THR 28 3HG2 THR 28 -4.917 8.756 19.522 206 HG22 THR 28 1HG2 THR 28 -6.233 8.287 18.421 207 HG23 THR 28 2HG2 THR 28 -4.612 8.624 17.773 208 H GLY 29 HN GLY 29 -3.899 9.351 16.880 209 HA2 GLY 29 1HA GLY 29 -1.680 10.561 15.560 210 HA3 GLY 29 2HA GLY 29 -2.536 9.084 15.062 211 H GLU 30 HN GLU 30 -1.424 10.961 13.298 212 HA GLU 30 HA GLU 30 -3.467 12.763 12.312 213 HB2 GLU 30 2HB GLU 30 -0.944 11.717 10.980 214 HB3 GLU 30 3HB GLU 30 -1.895 13.136 10.479 215 HG2 GLU 30 2HG GLU 30 -1.255 14.353 12.423 216 HG3 GLU 30 3HG GLU 30 -0.539 12.909 13.170 217 HE2 GLU 30 2HE GLU 30 2.418 13.310 11.430 218 HA PRO 31 HA PRO 31 -5.537 10.102 9.326 219 HB2 PRO 31 2HB PRO 31 -5.112 12.276 7.300 220 HB3 PRO 31 3HB PRO 31 -6.625 11.532 7.912 221 HG2 PRO 31 2HG PRO 31 -5.869 13.999 8.593 222 HG3 PRO 31 3HG PRO 31 -6.802 12.940 9.700 223 HD2 PRO 31 2HD PRO 31 -3.883 13.689 9.690 224 HD3 PRO 31 3HD PRO 31 -4.979 13.367 11.068 225 H SER 32 HN SER 32 -4.496 8.416 8.435 226 HA SER 32 HA SER 32 -1.857 8.956 7.172 227 HB2 SER 32 2HB SER 32 -2.958 6.334 8.242 228 HB3 SER 32 3HB SER 32 -1.280 6.690 7.766 229 HG SER 32 HG SER 32 -1.604 6.811 10.043 230 H LYS 33 HN LYS 33 -1.242 7.664 5.306 231 HA LYS 33 HA LYS 33 -3.558 7.295 3.522 232 HB2 LYS 33 2HB LYS 33 -1.794 7.085 1.752 233 HB3 LYS 33 3HB LYS 33 -1.840 8.649 2.601 234 HG2 LYS 33 2HG LYS 33 0.083 7.959 3.964 235 HG3 LYS 33 3HG LYS 33 0.132 6.404 3.103 236 HD2 LYS 33 2HD LYS 33 0.575 7.536 0.999 237 HD3 LYS 33 3HD LYS 33 0.403 9.124 1.784 238 HE2 LYS 33 2HE LYS 33 2.355 8.649 3.191 239 HE3 LYS 33 3HE LYS 33 2.521 7.050 2.432 240 HZ1 LYS 33 3HZ LYS 33 2.736 9.636 1.042 241 HZ2 LYS 33 1HZ LYS 33 3.997 8.656 1.451 242 HZ3 LYS 33 2HZ LYS 33 2.890 8.152 0.339 243 H LYS 34 HN LYS 34 -2.673 5.464 1.711 244 HA LYS 34 HA LYS 34 -3.348 3.053 3.164 245 HB2 LYS 34 2HB LYS 34 -2.675 3.546 0.249 246 HB3 LYS 34 3HB LYS 34 -3.258 2.000 0.912 247 HG2 LYS 34 2HG LYS 34 -5.357 3.058 1.569 248 HG3 LYS 34 3HG LYS 34 -4.775 4.622 0.953 249 HD2 LYS 34 2HD LYS 34 -6.247 3.541 -0.679 250 HD3 LYS 34 3HD LYS 34 -4.587 3.657 -1.307 251 HE2 LYS 34 2HE LYS 34 -4.217 1.291 -0.549 252 HE3 LYS 34 3HE LYS 34 -5.945 1.208 -0.143 253 HZ1 LYS 34 3HZ LYS 34 -4.838 1.750 -2.815 254 HZ2 LYS 34 1HZ LYS 34 -5.501 0.324 -2.321 255 HZ3 LYS 34 2HZ LYS 34 -6.441 1.672 -2.437 256 H ALA 35 HN ALA 35 -1.621 2.507 4.509 257 HA ALA 35 HA ALA 35 0.986 1.932 3.341 258 HB1 ALA 35 1HB ALA 35 1.491 0.957 5.546 259 HB2 ALA 35 2HB ALA 35 0.778 2.579 5.704 260 HB3 ALA 35 3HB ALA 35 -0.216 1.137 6.016 261 H VAL 36 HN VAL 36 1.495 0.165 2.228 262 HA VAL 36 HA VAL 36 -0.511 -1.616 1.388 263 HB VAL 36 HB VAL 36 2.448 -2.254 1.321 264 HG11 VAL 36 1HG1 VAL 36 1.870 -3.352 -0.799 265 HG12 VAL 36 2HG1 VAL 36 0.924 -4.008 0.556 266 HG13 VAL 36 3HG1 VAL 36 0.172 -2.867 -0.585 267 HG21 VAL 36 3HG2 VAL 36 2.167 0.069 0.607 268 HG22 VAL 36 1HG2 VAL 36 2.599 -0.971 -0.770 269 HG23 VAL 36 2HG2 VAL 36 0.917 -0.431 -0.557 270 H SER 37 HN SER 37 -1.489 -3.160 2.420 271 HA SER 37 HA SER 37 -0.138 -4.419 4.739 272 HB2 SER 37 2HB SER 37 -3.067 -4.466 3.924 273 HB3 SER 37 3HB SER 37 -2.376 -5.030 5.465 274 HG SER 37 HG SER 37 -3.263 -2.910 5.608 275 H ASP 38 HN ASP 38 -0.943 -6.773 5.125 276 HA ASP 38 HA ASP 38 0.031 -8.282 2.827 277 HB2 ASP 38 2HB ASP 38 -0.095 -10.214 4.381 278 HB3 ASP 38 3HB ASP 38 0.827 -8.850 5.051 279 HD2 ASP 38 2HD ASP 38 -2.426 -10.038 6.926 280 H ARG 39 HN ARG 39 -2.778 -6.976 2.938 281 HA ARG 39 HA ARG 39 -4.641 -9.164 2.974 282 HB2 ARG 39 2HB ARG 39 -4.802 -6.381 1.778 283 HB3 ARG 39 3HB ARG 39 -6.166 -7.522 1.854 284 HG2 ARG 39 2HG ARG 39 -4.653 -6.386 4.225 285 HG3 ARG 39 3HG ARG 39 -6.269 -5.884 3.671 286 HD2 ARG 39 2HD ARG 39 -7.147 -8.111 4.117 287 HD3 ARG 39 3HD ARG 39 -5.529 -8.681 4.581 288 HE ARG 39 HE ARG 39 -6.605 -6.423 6.122 289 HH11 ARG 39 2HH1 ARG 39 -6.001 -9.884 5.870 290 HH12 ARG 39 1HH1 ARG 39 -6.234 -10.182 7.579 291 HH21 ARG 39 2HH2 ARG 39 -6.939 -6.825 8.356 292 HH22 ARG 39 1HH2 ARG 39 -6.766 -8.447 8.988 293 H LEU 40 HN LEU 40 -2.375 -8.005 0.646 294 HA LEU 40 HA LEU 40 -3.788 -9.203 -1.635 295 HB2 LEU 40 2HB LEU 40 -1.024 -7.966 -1.416 296 HB3 LEU 40 3HB LEU 40 -1.865 -8.408 -2.922 297 HG LEU 40 HG LEU 40 -2.741 -6.271 -0.963 298 HD11 LEU 40 1HD1 LEU 40 -2.084 -4.696 -2.735 299 HD12 LEU 40 2HD1 LEU 40 -0.700 -5.663 -2.180 300 HD13 LEU 40 3HD1 LEU 40 -1.497 -6.053 -3.723 301 HD21 LEU 40 3HD2 LEU 40 -4.622 -7.342 -2.116 302 HD22 LEU 40 1HD2 LEU 40 -4.382 -5.677 -2.697 303 HD23 LEU 40 2HD2 LEU 40 -3.833 -7.051 -3.686 304 H ILE 41 HN ILE 41 -1.780 -10.257 0.869 305 HA ILE 41 HA ILE 41 -0.138 -12.066 -0.726 306 HB ILE 41 HB ILE 41 -0.459 -11.826 2.295 307 HG12 ILE 41 2HG1 ILE 41 0.387 -9.768 1.316 308 HG13 ILE 41 3HG1 ILE 41 1.675 -10.608 2.214 309 HG21 ILE 41 1HG2 ILE 41 1.657 -13.075 2.418 310 HG22 ILE 41 2HG2 ILE 41 0.387 -14.024 1.611 311 HG23 ILE 41 3HG2 ILE 41 1.662 -13.241 0.647 312 HD11 ILE 41 3HD1 ILE 41 1.312 -10.607 -0.793 313 HD12 ILE 41 1HD1 ILE 41 2.525 -9.669 0.104 314 HD13 ILE 41 2HD1 ILE 41 2.600 -11.444 0.105 315 H GLY 42 HN GLY 42 -0.573 -14.095 -1.256 316 HA2 GLY 42 1HA GLY 42 -1.337 -16.275 -0.833 317 HA3 GLY 42 2HA GLY 42 -2.372 -15.654 0.473 318 H ARG 43 HN ARG 43 -2.704 -13.682 -2.222 319 HA ARG 43 HA ARG 43 -5.170 -15.162 -2.965 320 HB2 ARG 43 2HB ARG 43 -4.501 -12.220 -2.961 321 HB3 ARG 43 3HB ARG 43 -5.872 -12.879 -3.887 322 HG2 ARG 43 2HG ARG 43 -6.538 -13.957 -1.603 323 HG3 ARG 43 3HG ARG 43 -5.480 -12.699 -0.919 324 HD2 ARG 43 2HD ARG 43 -7.861 -11.997 -1.061 325 HD3 ARG 43 3HD ARG 43 -6.772 -10.957 -2.004 326 HE ARG 43 HE ARG 43 -7.649 -12.903 -3.782 327 HH11 ARG 43 2HH1 ARG 43 -9.242 -10.577 -1.677 328 HH12 ARG 43 1HH1 ARG 43 -10.577 -10.309 -2.776 329 HH21 ARG 43 2HH2 ARG 43 -9.369 -12.514 -5.228 330 HH22 ARG 43 1HH2 ARG 43 -10.649 -11.406 -4.788 331 H LYS 44 HN LYS 44 -5.950 -14.744 -5.206 332 HA LYS 44 HA LYS 44 -3.726 -15.188 -7.078 333 HB2 LYS 44 2HB LYS 44 -5.634 -16.717 -7.157 334 HB3 LYS 44 3HB LYS 44 -6.747 -15.349 -7.403 335 HG2 LYS 44 2HG LYS 44 -5.564 -14.850 -9.539 336 HG3 LYS 44 3HG LYS 44 -4.600 -16.328 -9.302 337 HD2 LYS 44 2HD LYS 44 -7.627 -16.270 -9.459 338 HD3 LYS 44 3HD LYS 44 -6.556 -16.600 -10.842 339 HE2 LYS 44 2HE LYS 44 -5.593 -18.517 -9.579 340 HE3 LYS 44 3HE LYS 44 -6.770 -18.215 -8.282 341 HZ1 LYS 44 3HZ LYS 44 -7.428 -18.888 -11.070 342 HZ2 LYS 44 1HZ LYS 44 -7.521 -19.916 -9.785 343 HZ3 LYS 44 2HZ LYS 44 -8.520 -18.608 -9.866 344 H GLY 45 HN GLY 45 -3.230 -13.883 -8.770 345 HA2 GLY 45 1HA GLY 45 -4.904 -11.456 -9.147 346 HA3 GLY 45 2HA GLY 45 -3.127 -11.389 -9.155 347 H VAL 46 HN VAL 46 -4.290 -10.442 -11.348 348 HA VAL 46 HA VAL 46 -3.981 -12.660 -13.309 349 HB VAL 46 HB VAL 46 -6.346 -11.928 -13.115 350 HG11 VAL 46 1HG1 VAL 46 -7.029 -9.696 -13.880 351 HG12 VAL 46 2HG1 VAL 46 -5.979 -9.607 -12.446 352 HG13 VAL 46 3HG1 VAL 46 -5.320 -9.238 -14.059 353 HG21 VAL 46 3HG2 VAL 46 -5.498 -12.808 -15.232 354 HG22 VAL 46 1HG2 VAL 46 -6.745 -11.571 -15.513 355 HG23 VAL 46 2HG2 VAL 46 -5.028 -11.168 -15.736 356 H VAL 47 HN VAL 47 -2.819 -12.213 -15.164 357 HA VAL 47 HA VAL 47 -1.021 -9.916 -14.873 358 HB VAL 47 HB VAL 47 -1.016 -12.133 -16.954 359 HG11 VAL 47 1HG1 VAL 47 1.319 -11.465 -17.331 360 HG12 VAL 47 2HG1 VAL 47 0.196 -10.125 -17.658 361 HG13 VAL 47 3HG1 VAL 47 1.134 -10.154 -16.145 362 HG21 VAL 47 3HG2 VAL 47 -0.762 -13.027 -14.689 363 HG22 VAL 47 1HG2 VAL 47 0.760 -13.156 -15.599 364 HG23 VAL 47 2HG2 VAL 47 0.561 -11.879 -14.378 365 H MET 48 HN MET 48 -1.655 -8.027 -15.645 366 HA MET 48 HA MET 48 -3.383 -7.918 -18.032 367 HB2 MET 48 2HB MET 48 -2.331 -5.775 -16.164 368 HB3 MET 48 3HB MET 48 -3.391 -5.470 -17.559 369 HG2 MET 48 2HG MET 48 -4.135 -7.264 -15.244 370 HG3 MET 48 3HG MET 48 -4.523 -5.537 -15.314 371 HE1 MET 48 3HE MET 48 -5.655 -9.081 -16.160 372 HE2 MET 48 1HE MET 48 -6.545 -8.944 -17.691 373 HE3 MET 48 2HE MET 48 -4.777 -8.777 -17.679 374 H GLU 49 HN GLU 49 -0.144 -7.059 -16.921 375 HA GLU 49 HA GLU 49 0.590 -6.478 -19.756 376 HB2 GLU 49 2HB GLU 49 0.653 -4.488 -18.272 377 HB3 GLU 49 3HB GLU 49 1.814 -5.337 -17.224 378 HG2 GLU 49 2HG GLU 49 3.417 -5.429 -19.070 379 HG3 GLU 49 3HG GLU 49 2.257 -4.593 -20.125 380 HE2 GLU 49 2HE GLU 49 3.019 -1.512 -18.740 381 H ALA 50 HN ALA 50 2.264 -7.612 -20.588 382 HA ALA 50 HA ALA 50 2.835 -10.122 -19.509 383 HB1 ALA 50 1HB ALA 50 4.584 -10.282 -21.236 384 HB2 ALA 50 2HB ALA 50 3.097 -9.551 -21.883 385 HB3 ALA 50 3HB ALA 50 4.495 -8.524 -21.487 386 H ILE 51 HN ILE 51 4.231 -10.962 -18.138 387 HA ILE 51 HA ILE 51 6.159 -9.089 -16.864 388 HB ILE 51 HB ILE 51 4.942 -11.652 -15.748 389 HG12 ILE 51 2HG1 ILE 51 4.295 -8.766 -15.083 390 HG13 ILE 51 3HG1 ILE 51 3.280 -9.848 -16.065 391 HG21 ILE 51 1HG2 ILE 51 5.888 -10.893 -13.607 392 HG22 ILE 51 2HG2 ILE 51 7.156 -11.119 -14.832 393 HG23 ILE 51 3HG2 ILE 51 6.597 -9.480 -14.421 394 HD11 ILE 51 3HD1 ILE 51 4.009 -10.251 -13.154 395 HD12 ILE 51 1HD1 ILE 51 2.438 -9.687 -13.759 396 HD13 ILE 51 2HD1 ILE 51 2.992 -11.332 -14.137 397 H SER 52 HN SER 52 8.301 -9.623 -16.782 398 HA SER 52 HA SER 52 9.029 -12.385 -17.574 399 HB2 SER 52 2HB SER 52 10.944 -11.410 -18.906 400 HB3 SER 52 3HB SER 52 9.329 -11.151 -19.609 401 HG SER 52 HG SER 52 10.623 -9.251 -19.627 402 HA PRO 53 HA PRO 53 12.103 -12.116 -14.352 403 HB2 PRO 53 2HB PRO 53 14.174 -13.217 -16.190 404 HB3 PRO 53 3HB PRO 53 13.433 -13.925 -14.718 405 HG2 PRO 53 2HG PRO 53 12.931 -14.810 -17.217 406 HG3 PRO 53 3HG PRO 53 11.781 -14.981 -15.852 407 HD2 PRO 53 2HD PRO 53 11.788 -13.095 -18.191 408 HD3 PRO 53 3HD PRO 53 10.412 -13.797 -17.287 409 H GLN 54 HN GLN 54 12.371 -10.533 -17.357 410 HA GLN 54 HA GLN 54 14.834 -9.083 -16.546 411 HB2 GLN 54 2HB GLN 54 14.341 -10.236 -18.887 412 HB3 GLN 54 3HB GLN 54 13.483 -8.706 -19.194 413 HG2 GLN 54 2HG GLN 54 16.364 -8.861 -18.293 414 HG3 GLN 54 3HG GLN 54 15.866 -8.815 -19.998 415 HE21 GLN 54 1HE2 GLN 54 17.508 -6.927 -18.411 416 HE22 GLN 54 2HE2 GLN 54 16.707 -5.376 -18.553 417 H ASN 55 HN ASN 55 11.514 -8.520 -17.814 418 HA ASN 55 HA ASN 55 11.638 -5.818 -16.548 419 HB2 ASN 55 2HB ASN 55 11.741 -5.760 -19.044 420 HB3 ASN 55 3HB ASN 55 10.171 -6.589 -19.096 421 HD21 ASN 55 1HD2 ASN 55 11.855 -3.599 -18.257 422 HD22 ASN 55 2HD2 ASN 55 10.431 -2.582 -18.217 423 H SER 56 HN SER 56 9.963 -5.217 -15.288 424 HA SER 56 HA SER 56 8.212 -7.323 -14.362 425 HB2 SER 56 2HB SER 56 8.019 -4.364 -13.716 426 HB3 SER 56 3HB SER 56 7.506 -5.744 -12.717 427 HG SER 56 HG SER 56 9.514 -4.850 -12.032 428 H GLY 57 HN GLY 57 5.886 -7.212 -14.258 429 HA2 GLY 57 1HA GLY 57 4.730 -5.666 -16.532 430 HA3 GLY 57 2HA GLY 57 4.203 -7.303 -16.083 431 H LEU 58 HN LEU 58 2.035 -6.486 -15.862 432 HA LEU 58 HA LEU 58 1.670 -5.012 -13.304 433 HB2 LEU 58 2HB LEU 58 0.269 -4.506 -15.940 434 HB3 LEU 58 3HB LEU 58 -0.279 -3.857 -14.376 435 HG LEU 58 HG LEU 58 2.371 -3.251 -15.704 436 HD11 LEU 58 1HD1 LEU 58 1.407 -1.021 -16.100 437 HD12 LEU 58 2HD1 LEU 58 0.467 -2.290 -16.917 438 HD13 LEU 58 3HD1 LEU 58 -0.137 -1.568 -15.407 439 HD21 LEU 58 3HD2 LEU 58 2.468 -3.145 -13.253 440 HD22 LEU 58 1HD2 LEU 58 2.577 -1.520 -13.964 441 HD23 LEU 58 2HD2 LEU 58 1.050 -2.070 -13.238 442 H VAL 59 HN VAL 59 0.100 -5.728 -12.004 443 HA VAL 59 HA VAL 59 -1.799 -7.736 -13.106 444 HB VAL 59 HB VAL 59 -1.904 -8.701 -10.791 445 HG11 VAL 59 1HG1 VAL 59 0.192 -9.977 -10.977 446 HG12 VAL 59 2HG1 VAL 59 -0.586 -9.767 -12.563 447 HG13 VAL 59 3HG1 VAL 59 0.822 -8.771 -12.122 448 HG21 VAL 59 3HG2 VAL 59 -1.029 -6.773 -9.558 449 HG22 VAL 59 1HG2 VAL 59 -0.068 -8.231 -9.223 450 HG23 VAL 59 2HG2 VAL 59 0.559 -6.990 -10.332 451 H LYS 60 HN LYS 60 -3.959 -7.568 -12.434 452 HA LYS 60 HA LYS 60 -4.558 -4.900 -11.249 453 HB2 LYS 60 2HB LYS 60 -5.250 -5.677 -13.675 454 HB3 LYS 60 3HB LYS 60 -6.555 -6.509 -12.797 455 HG2 LYS 60 2HG LYS 60 -7.324 -4.412 -11.868 456 HG3 LYS 60 3HG LYS 60 -5.959 -3.546 -12.613 457 HD2 LYS 60 2HD LYS 60 -6.799 -4.300 -14.853 458 HD3 LYS 60 3HD LYS 60 -8.233 -4.963 -14.034 459 HE2 LYS 60 2HE LYS 60 -8.760 -2.780 -14.923 460 HE3 LYS 60 3HE LYS 60 -8.732 -2.703 -13.148 461 HZ1 LYS 60 3HZ LYS 60 -6.562 -1.830 -14.936 462 HZ2 LYS 60 1HZ LYS 60 -7.605 -0.836 -14.137 463 HZ3 LYS 60 2HZ LYS 60 -6.536 -1.758 -13.288 464 H VAL 61 HN VAL 61 -5.381 -4.867 -9.291 465 HA VAL 61 HA VAL 61 -6.817 -7.297 -8.354 466 HB VAL 61 HB VAL 61 -5.297 -5.300 -6.638 467 HG11 VAL 61 1HG1 VAL 61 -5.621 -6.961 -4.851 468 HG12 VAL 61 2HG1 VAL 61 -7.176 -6.392 -5.501 469 HG13 VAL 61 3HG1 VAL 61 -6.541 -7.987 -5.974 470 HG21 VAL 61 3HG2 VAL 61 -3.746 -6.583 -8.038 471 HG22 VAL 61 1HG2 VAL 61 -3.616 -7.072 -6.334 472 HG23 VAL 61 2HG2 VAL 61 -4.495 -8.102 -7.488 473 H ASP 62 HN ASP 62 -8.827 -6.623 -8.997 474 HA ASP 62 HA ASP 62 -10.794 -5.480 -8.966 475 HB2 ASP 62 2HB ASP 62 -9.842 -5.223 -6.122 476 HB3 ASP 62 3HB ASP 62 -11.380 -4.500 -6.638 477 HD2 ASP 62 2HD ASP 62 -11.403 -8.257 -5.792 478 H GLY 63 HN GLY 63 -9.534 -3.988 -10.475 479 HA2 GLY 63 1HA GLY 63 -10.028 -1.801 -11.208 480 HA3 GLY 63 2HA GLY 63 -10.211 -1.281 -9.517 481 H GLU 64 HN GLU 64 -7.731 -2.339 -8.522 482 HA GLU 64 HA GLU 64 -6.086 -0.125 -9.554 483 HB2 GLU 64 2HB GLU 64 -5.871 -1.853 -7.080 484 HB3 GLU 64 3HB GLU 64 -4.690 -0.601 -7.530 485 HG2 GLU 64 2HG GLU 64 -6.420 1.107 -7.401 486 HG3 GLU 64 3HG GLU 64 -7.636 -0.130 -7.018 487 HE2 GLU 64 2HE GLU 64 -6.859 0.046 -3.694 488 H THR 65 HN THR 65 -4.266 -0.333 -10.630 489 HA THR 65 HA THR 65 -3.409 -3.105 -11.234 490 HB THR 65 HB THR 65 -2.599 -0.623 -12.764 491 HG1 THR 65 1HG THR 65 -4.405 -1.114 -14.128 492 HG21 THR 65 3HG2 THR 65 -2.892 -3.549 -13.536 493 HG22 THR 65 1HG2 THR 65 -2.343 -2.241 -14.610 494 HG23 THR 65 2HG2 THR 65 -1.360 -2.706 -13.202 495 H TRP 66 HN TRP 66 -1.755 -3.776 -10.106 496 HA TRP 66 HA TRP 66 0.319 -1.813 -9.260 497 HB2 TRP 66 2HB TRP 66 -0.376 -4.581 -8.205 498 HB3 TRP 66 3HB TRP 66 0.970 -3.588 -7.628 499 HD1 TRP 66 1HD TRP 66 -2.926 -3.394 -7.810 500 HE1 TRP 66 1HE TRP 66 -3.779 -2.047 -5.809 501 HE3 TRP 66 3HE TRP 66 1.599 -2.087 -5.816 502 HZ2 TRP 66 2HZ TRP 66 -2.643 -0.615 -3.645 503 HZ3 TRP 66 3HZ TRP 66 1.632 -0.742 -3.753 504 HH2 TRP 66 2HH TRP 66 -0.462 -0.012 -2.686 505 H ARG 67 HN ARG 67 2.603 -2.712 -9.271 506 HA ARG 67 HA ARG 67 3.023 -4.046 -11.834 507 HB2 ARG 67 2HB ARG 67 5.114 -3.388 -9.752 508 HB3 ARG 67 3HB ARG 67 5.349 -3.686 -11.491 509 HG2 ARG 67 2HG ARG 67 3.996 -1.598 -11.905 510 HG3 ARG 67 3HG ARG 67 4.126 -1.277 -10.158 511 HD2 ARG 67 2HD ARG 67 6.666 -1.646 -10.508 512 HD3 ARG 67 3HD ARG 67 6.310 -1.422 -12.234 513 HE ARG 67 HE ARG 67 5.160 0.737 -10.838 514 HH11 ARG 67 2HH1 ARG 67 8.268 -0.583 -11.812 515 HH12 ARG 67 1HH1 ARG 67 9.116 0.939 -11.650 516 HH21 ARG 67 2HH2 ARG 67 6.293 2.709 -10.530 517 HH22 ARG 67 1HH2 ARG 67 7.995 2.807 -10.922 518 H ALA 68 HN ALA 68 4.401 -5.962 -12.024 519 HA ALA 68 HA ALA 68 4.660 -7.603 -9.610 520 HB1 ALA 68 1HB ALA 68 3.502 -9.537 -10.595 521 HB2 ALA 68 2HB ALA 68 2.400 -8.156 -10.388 522 HB3 ALA 68 3HB ALA 68 3.045 -8.547 -11.999 523 H THR 69 HN THR 69 6.302 -9.030 -9.708 524 HA THR 69 HA THR 69 7.650 -9.365 -12.330 525 HB THR 69 HB THR 69 9.255 -9.012 -9.795 526 HG1 THR 69 1HG THR 69 9.451 -6.782 -10.395 527 HG21 THR 69 3HG2 THR 69 9.829 -8.494 -12.734 528 HG22 THR 69 1HG2 THR 69 10.992 -8.309 -11.401 529 HG23 THR 69 2HG2 THR 69 10.352 -9.918 -11.804 530 H SER 70 HN SER 70 9.203 -11.227 -12.270 531 HA SER 70 HA SER 70 8.785 -13.240 -10.214 532 HB2 SER 70 2HB SER 70 6.666 -13.352 -11.573 533 HB3 SER 70 3HB SER 70 7.659 -13.740 -12.998 534 HG SER 70 HG SER 70 6.834 -15.616 -11.952 535 H GLY 71 HN GLY 71 9.948 -15.295 -10.814 536 HA2 GLY 71 1HA GLY 71 12.306 -14.673 -12.473 537 HA3 GLY 71 2HA GLY 71 12.078 -16.094 -11.429 538 H THR 72 HN THR 72 9.370 -15.318 -13.290 539 HA THR 72 HA THR 72 10.081 -17.305 -15.398 540 HB THR 72 HB THR 72 7.242 -17.140 -14.499 541 HG1 THR 72 1HG THR 72 7.696 -18.524 -12.700 542 HG21 THR 72 3HG2 THR 72 9.115 -19.460 -15.082 543 HG22 THR 72 1HG2 THR 72 7.359 -19.582 -14.824 544 HG23 THR 72 2HG2 THR 72 7.990 -18.709 -16.240 545 H VAL 73 HN VAL 73 8.542 -17.091 -17.325 546 HA VAL 73 HA VAL 73 7.872 -14.232 -17.682 547 HB VAL 73 HB VAL 73 9.240 -15.328 -19.445 548 HG11 VAL 73 1HG1 VAL 73 8.212 -16.935 -20.990 549 HG12 VAL 73 2HG1 VAL 73 8.295 -17.578 -19.335 550 HG13 VAL 73 3HG1 VAL 73 6.751 -16.970 -19.978 551 HG21 VAL 73 3HG2 VAL 73 7.848 -13.383 -19.971 552 HG22 VAL 73 1HG2 VAL 73 7.947 -14.486 -21.361 553 HG23 VAL 73 2HG2 VAL 73 6.480 -14.455 -20.355 554 H LEU 74 HN LEU 74 5.837 -13.502 -17.737 555 HA LEU 74 HA LEU 74 3.675 -15.550 -17.608 556 HB2 LEU 74 2HB LEU 74 3.839 -12.901 -16.140 557 HB3 LEU 74 3HB LEU 74 2.505 -14.076 -16.054 558 HG LEU 74 HG LEU 74 5.343 -14.625 -15.149 559 HD11 LEU 74 1HD1 LEU 74 4.468 -14.402 -12.860 560 HD12 LEU 74 2HD1 LEU 74 4.304 -12.883 -13.771 561 HD13 LEU 74 3HD1 LEU 74 2.884 -13.924 -13.515 562 HD21 LEU 74 3HD2 LEU 74 4.078 -16.620 -15.813 563 HD22 LEU 74 1HD2 LEU 74 4.337 -16.587 -14.054 564 HD23 LEU 74 2HD2 LEU 74 2.750 -16.147 -14.728 565 H ASP 75 HN ASP 75 2.147 -15.353 -19.085 566 HA ASP 75 HA ASP 75 2.301 -13.055 -20.913 567 HB2 ASP 75 2HB ASP 75 2.188 -15.415 -21.728 568 HB3 ASP 75 3HB ASP 75 0.558 -15.537 -21.032 569 HD2 ASP 75 2HD ASP 75 0.738 -12.931 -24.019 570 H VAL 76 HN VAL 76 0.108 -12.357 -21.817 571 HA VAL 76 HA VAL 76 -1.236 -11.058 -19.618 572 HB VAL 76 HB VAL 76 -1.927 -11.061 -22.579 573 HG11 VAL 76 1HG1 VAL 76 -3.075 -8.941 -22.092 574 HG12 VAL 76 2HG1 VAL 76 -3.759 -10.285 -21.151 575 HG13 VAL 76 3HG1 VAL 76 -2.665 -9.118 -20.370 576 HG21 VAL 76 3HG2 VAL 76 0.376 -10.313 -22.207 577 HG22 VAL 76 1HG2 VAL 76 -0.659 -8.957 -22.709 578 HG23 VAL 76 2HG2 VAL 76 -0.195 -9.136 -21.001 579 H GLY 77 HN GLY 77 -2.997 -11.701 -18.566 580 HA2 GLY 77 1HA GLY 77 -5.232 -12.536 -18.549 581 HA3 GLY 77 2HA GLY 77 -4.850 -13.543 -19.964 582 H GLU 78 HN GLU 78 -2.225 -13.794 -17.957 583 HA GLU 78 HA GLU 78 -2.986 -16.457 -17.147 584 HB2 GLU 78 2HB GLU 78 -0.577 -14.705 -16.668 585 HB3 GLU 78 3HB GLU 78 -0.748 -16.309 -15.915 586 HG2 GLU 78 2HG GLU 78 -0.749 -15.728 -18.882 587 HG3 GLU 78 3HG GLU 78 0.614 -16.376 -17.944 588 HE2 GLU 78 2HE GLU 78 -2.440 -18.826 -18.674 589 H GLU 79 HN GLU 79 -2.663 -17.236 -14.949 590 HA GLU 79 HA GLU 79 -3.868 -15.347 -12.975 591 HB2 GLU 79 2HB GLU 79 -3.923 -18.382 -12.979 592 HB3 GLU 79 3HB GLU 79 -4.807 -17.290 -11.887 593 HG2 GLU 79 2HG GLU 79 -6.197 -16.523 -13.693 594 HG3 GLU 79 3HG GLU 79 -5.242 -17.444 -14.874 595 HE2 GLU 79 2HE GLU 79 -6.996 -20.326 -14.223 596 H VAL 80 HN VAL 80 -2.544 -14.760 -11.314 597 HA VAL 80 HA VAL 80 -0.276 -16.614 -10.809 598 HB VAL 80 HB VAL 80 1.146 -14.639 -10.310 599 HG11 VAL 80 1HG1 VAL 80 1.512 -13.977 -12.649 600 HG12 VAL 80 2HG1 VAL 80 1.228 -15.726 -12.503 601 HG13 VAL 80 3HG1 VAL 80 -0.070 -14.659 -13.088 602 HG21 VAL 80 3HG2 VAL 80 -0.622 -13.030 -9.760 603 HG22 VAL 80 1HG2 VAL 80 0.434 -12.400 -11.044 604 HG23 VAL 80 2HG2 VAL 80 -1.172 -13.045 -11.453 605 H SER 81 HN SER 81 0.614 -16.695 -8.750 606 HA SER 81 HA SER 81 -1.254 -15.887 -6.589 607 HB2 SER 81 2HB SER 81 1.153 -17.734 -6.422 608 HB3 SER 81 3HB SER 81 -0.180 -17.569 -5.254 609 HG SER 81 HG SER 81 -0.406 -19.413 -6.607 610 H VAL 82 HN VAL 82 -0.715 -14.270 -5.223 611 HA VAL 82 HA VAL 82 1.871 -12.957 -5.635 612 HB VAL 82 HB VAL 82 -0.380 -12.208 -3.733 613 HG11 VAL 82 1HG1 VAL 82 0.658 -9.978 -3.737 614 HG12 VAL 82 2HG1 VAL 82 1.782 -11.221 -3.141 615 HG13 VAL 82 3HG1 VAL 82 1.953 -10.584 -4.794 616 HG21 VAL 82 3HG2 VAL 82 -1.175 -12.242 -6.049 617 HG22 VAL 82 1HG2 VAL 82 -1.072 -10.574 -5.438 618 HG23 VAL 82 2HG2 VAL 82 0.180 -11.196 -6.538 619 H LYS 83 HN LYS 83 3.602 -13.580 -4.583 620 HA LYS 83 HA LYS 83 3.395 -15.082 -2.091 621 HB2 LYS 83 2HB LYS 83 5.661 -14.191 -3.876 622 HB3 LYS 83 3HB LYS 83 5.941 -14.971 -2.301 623 HG2 LYS 83 2HG LYS 83 4.617 -16.920 -3.094 624 HG3 LYS 83 3HG LYS 83 4.511 -16.147 -4.693 625 HD2 LYS 83 2HD LYS 83 6.978 -16.073 -4.795 626 HD3 LYS 83 3HD LYS 83 7.049 -16.912 -3.227 627 HE2 LYS 83 2HE LYS 83 5.761 -18.007 -5.741 628 HE3 LYS 83 3HE LYS 83 7.384 -18.429 -5.153 629 HZ1 LYS 83 3HZ LYS 83 4.863 -18.906 -3.713 630 HZ2 LYS 83 1HZ LYS 83 5.751 -20.050 -4.497 631 HZ3 LYS 83 2HZ LYS 83 6.369 -19.297 -3.168 632 H ALA 84 HN ALA 84 4.886 -12.007 -3.194 633 HA ALA 84 HA ALA 84 4.660 -10.944 -0.467 634 HB1 ALA 84 1HB ALA 84 7.068 -10.453 -0.287 635 HB2 ALA 84 2HB ALA 84 6.770 -12.204 -0.392 636 HB3 ALA 84 3HB ALA 84 7.357 -11.313 -1.817 637 H ILE 85 HN ILE 85 5.666 -8.692 -0.377 638 HA ILE 85 HA ILE 85 4.941 -7.298 -2.909 639 HB ILE 85 HB ILE 85 4.856 -6.233 -0.053 640 HG12 ILE 85 2HG1 ILE 85 2.531 -7.088 -1.802 641 HG13 ILE 85 3HG1 ILE 85 3.241 -8.100 -0.522 642 HG21 ILE 85 1HG2 ILE 85 3.549 -4.396 -1.038 643 HG22 ILE 85 2HG2 ILE 85 5.164 -4.510 -1.774 644 HG23 ILE 85 3HG2 ILE 85 3.741 -5.124 -2.649 645 HD11 ILE 85 3HD1 ILE 85 1.941 -5.392 -0.132 646 HD12 ILE 85 1HD1 ILE 85 1.209 -6.959 0.269 647 HD13 ILE 85 2HD1 ILE 85 2.649 -6.407 1.148 648 H GLU 86 HN GLU 86 6.370 -5.834 -3.767 649 HA GLU 86 HA GLU 86 8.778 -5.190 -2.160 650 HB2 GLU 86 2HB GLU 86 9.280 -7.089 -3.693 651 HB3 GLU 86 3HB GLU 86 8.821 -6.057 -5.069 652 HG2 GLU 86 2HG GLU 86 10.633 -4.514 -4.533 653 HG3 GLU 86 3HG GLU 86 11.081 -5.509 -3.130 654 HE2 GLU 86 2HE GLU 86 12.350 -6.577 -6.692 655 H GLY 87 HN GLY 87 7.690 -3.158 -1.818 656 HA2 GLY 87 1HA GLY 87 7.627 -0.905 -2.290 657 HA3 GLY 87 2HA GLY 87 8.456 -1.235 -3.828 658 H VAL 88 HN VAL 88 7.364 -0.953 -5.637 659 HA VAL 88 HA VAL 88 4.443 -0.491 -5.414 660 HB VAL 88 HB VAL 88 6.215 0.111 -7.803 661 HG11 VAL 88 1HG1 VAL 88 4.477 1.770 -8.336 662 HG12 VAL 88 2HG1 VAL 88 3.799 0.131 -8.208 663 HG13 VAL 88 3HG1 VAL 88 3.579 1.294 -6.877 664 HG21 VAL 88 3HG2 VAL 88 7.186 1.227 -5.848 665 HG22 VAL 88 1HG2 VAL 88 6.453 2.411 -6.956 666 HG23 VAL 88 2HG2 VAL 88 5.603 1.946 -5.464 667 H LYS 89 HN LYS 89 6.508 -2.985 -6.080 668 HA LYS 89 HA LYS 89 4.582 -4.156 -8.017 669 HB2 LYS 89 2HB LYS 89 6.537 -5.465 -8.908 670 HB3 LYS 89 3HB LYS 89 6.534 -3.723 -9.273 671 HG2 LYS 89 2HG LYS 89 8.132 -3.381 -7.406 672 HG3 LYS 89 3HG LYS 89 8.197 -5.146 -7.186 673 HD2 LYS 89 2HD LYS 89 8.998 -5.406 -9.496 674 HD3 LYS 89 3HD LYS 89 8.932 -3.641 -9.718 675 HE2 LYS 89 2HE LYS 89 10.583 -3.356 -7.923 676 HE3 LYS 89 3HE LYS 89 10.649 -5.118 -7.700 677 HZ1 LYS 89 3HZ LYS 89 11.402 -3.670 -10.152 678 HZ2 LYS 89 1HZ LYS 89 12.452 -4.325 -9.063 679 HZ3 LYS 89 2HZ LYS 89 11.464 -5.306 -9.945 680 H LEU 90 HN LEU 90 4.719 -6.596 -8.066 681 HA LEU 90 HA LEU 90 4.971 -7.547 -5.252 682 HB2 LEU 90 2HB LEU 90 2.965 -8.426 -7.350 683 HB3 LEU 90 3HB LEU 90 3.062 -8.992 -5.665 684 HG LEU 90 HG LEU 90 2.393 -6.172 -6.539 685 HD11 LEU 90 1HD1 LEU 90 0.110 -6.715 -5.794 686 HD12 LEU 90 2HD1 LEU 90 0.630 -7.775 -7.124 687 HD13 LEU 90 3HD1 LEU 90 0.621 -8.384 -5.452 688 HD21 LEU 90 3HD2 LEU 90 3.507 -6.276 -4.356 689 HD22 LEU 90 1HD2 LEU 90 1.793 -5.837 -4.177 690 HD23 LEU 90 2HD2 LEU 90 2.328 -7.493 -3.807 691 H VAL 91 HN VAL 91 5.676 -9.665 -4.930 692 HA VAL 91 HA VAL 91 7.141 -10.830 -7.220 693 HB VAL 91 HB VAL 91 7.135 -11.658 -4.290 694 HG11 VAL 91 1HG1 VAL 91 9.172 -12.907 -4.870 695 HG12 VAL 91 2HG1 VAL 91 7.773 -13.464 -5.818 696 HG13 VAL 91 3HG1 VAL 91 8.994 -12.406 -6.568 697 HG21 VAL 91 3HG2 VAL 91 8.016 -9.387 -4.580 698 HG22 VAL 91 1HG2 VAL 91 9.314 -10.524 -4.149 699 HG23 VAL 91 2HG2 VAL 91 9.137 -9.975 -5.831 700 H VAL 92 HN VAL 92 5.962 -12.169 -8.474 701 HA VAL 92 HA VAL 92 3.961 -13.874 -7.081 702 HB VAL 92 HB VAL 92 2.446 -13.594 -9.006 703 HG11 VAL 92 1HG1 VAL 92 1.751 -11.272 -8.597 704 HG12 VAL 92 2HG1 VAL 92 2.190 -12.097 -7.084 705 HG13 VAL 92 3HG1 VAL 92 3.319 -10.940 -7.829 706 HG21 VAL 92 3HG2 VAL 92 4.128 -13.156 -10.736 707 HG22 VAL 92 1HG2 VAL 92 2.882 -11.888 -10.727 708 HG23 VAL 92 2HG2 VAL 92 4.477 -11.571 -10.005 709 H GLU 93 HN GLU 93 3.182 -15.704 -8.431 710 HA GLU 93 HA GLU 93 4.796 -16.381 -10.785 711 HB2 GLU 93 2HB GLU 93 5.330 -18.616 -10.110 712 HB3 GLU 93 3HB GLU 93 6.013 -17.477 -8.925 713 HG2 GLU 93 2HG GLU 93 4.393 -18.039 -7.300 714 HG3 GLU 93 3HG GLU 93 3.377 -18.881 -8.490 715 HE2 GLU 93 2HE GLU 93 5.916 -21.501 -8.548 716 H LYS 94 HN LYS 94 3.789 -18.652 -11.634 717 HA LYS 94 HA LYS 94 1.004 -17.879 -11.988 718 HB2 LYS 94 2HB LYS 94 2.329 -18.636 -13.911 719 HB3 LYS 94 3HB LYS 94 2.534 -20.232 -13.149 720 HG2 LYS 94 2HG LYS 94 0.148 -20.645 -13.278 721 HG3 LYS 94 3HG LYS 94 -0.132 -19.007 -13.914 722 HD2 LYS 94 2HD LYS 94 1.099 -19.554 -15.945 723 HD3 LYS 94 3HD LYS 94 1.476 -21.170 -15.304 724 HE2 LYS 94 2HE LYS 94 -0.864 -21.770 -15.281 725 HE3 LYS 94 3HE LYS 94 -1.337 -20.116 -15.725 726 HZ1 LYS 94 3HZ LYS 94 0.197 -21.972 -17.414 727 HZ2 LYS 94 1HZ LYS 94 -1.396 -21.591 -17.605 728 HZ3 LYS 94 2HZ LYS 94 -0.242 -20.435 -17.826 729 H LEU 95 HN LEU 95 -0.827 -19.113 -11.598 730 HA LEU 95 HA LEU 95 -0.909 -20.647 -9.208 731 HB2 LEU 95 2HB LEU 95 -2.733 -19.846 -11.375 732 HB3 LEU 95 3HB LEU 95 -3.141 -21.404 -10.617 733 HG LEU 95 HG LEU 95 -4.390 -19.622 -9.589 734 HD11 LEU 95 1HD1 LEU 95 -3.756 -19.971 -7.239 735 HD12 LEU 95 2HD1 LEU 95 -3.675 -21.484 -8.170 736 HD13 LEU 95 3HD1 LEU 95 -2.180 -20.608 -7.761 737 HD21 LEU 95 3HD2 LEU 95 -2.886 -17.768 -10.101 738 HD22 LEU 95 1HD2 LEU 95 -3.297 -17.796 -8.371 739 HD23 LEU 95 2HD2 LEU 95 -1.709 -18.386 -8.917 740 H GLU 96 HN GLU 96 -1.511 -22.888 -8.945 741 HA GLU 96 HA GLU 96 0.101 -24.589 -10.668 742 HB2 GLU 96 2HB GLU 96 0.024 -24.877 -8.213 743 HB3 GLU 96 3HB GLU 96 -1.702 -25.297 -8.329 744 HG2 GLU 96 2HG GLU 96 -1.132 -27.251 -9.699 745 HG3 GLU 96 3HG GLU 96 0.592 -26.833 -9.577 746 HE2 GLU 96 2HE GLU 96 0.830 -28.176 -6.403 747 H GLU 97 HN GLU 97 -0.571 -26.247 -11.976 748 HA GLU 97 HA GLU 97 -3.474 -26.665 -12.382 749 HB2 GLU 97 2HB GLU 97 -2.749 -24.894 -13.965 750 HB3 GLU 97 3HB GLU 97 -1.522 -26.010 -14.612 751 HG2 GLU 97 2HG GLU 97 -3.351 -27.551 -15.284 752 HG3 GLU 97 3HG GLU 97 -4.527 -26.332 -14.747 753 HE2 GLU 97 2HE GLU 97 -2.427 -25.562 -18.035 754 H GLN 98 HN GLN 98 -3.955 -28.765 -13.187 755 HA GLN 98 HA GLN 98 -1.585 -30.574 -13.106 756 HB2 GLN 98 2HB GLN 98 -4.448 -31.113 -12.241 757 HB3 GLN 98 3HB GLN 98 -3.130 -32.309 -12.243 758 HG2 GLN 98 2HG GLN 98 -3.266 -29.786 -10.575 759 HG3 GLN 98 3HG GLN 98 -3.537 -31.447 -10.004 760 HE21 GLN 98 1HE2 GLN 98 -1.590 -29.489 -9.076 761 HE22 GLN 98 2HE2 GLN 98 -0.015 -30.217 -9.306 762 H LYS 99 HN LYS 99 -3.835 -29.281 -15.197 763 HA LYS 99 HA LYS 99 -4.691 -29.897 -17.229 764 HB2 LYS 99 2HB LYS 99 -2.318 -31.606 -16.944 765 HB3 LYS 99 3HB LYS 99 -3.576 -32.314 -17.985 766 HG2 LYS 99 2HG LYS 99 -2.019 -31.083 -19.341 767 HG3 LYS 99 3HG LYS 99 -3.584 -30.235 -19.328 768 HD2 LYS 99 2HD LYS 99 -2.708 -28.681 -17.620 769 HD3 LYS 99 3HD LYS 99 -1.137 -29.514 -17.684 770 HE2 LYS 99 2HE LYS 99 -0.940 -28.950 -20.073 771 HE3 LYS 99 3HE LYS 99 -2.505 -28.113 -20.004 772 HZ1 LYS 99 3HZ LYS 99 -0.096 -27.370 -18.487 773 HZ2 LYS 99 1HZ LYS 99 -0.673 -26.588 -19.819 774 HZ3 LYS 99 2HZ LYS 99 -1.550 -26.592 -18.423 775 H GLY 100 HN GLY 100 -5.422 -32.312 -18.374 776 HA2 GLY 100 1HA GLY 100 -6.865 -33.787 -16.255 777 HA3 GLY 100 2HA GLY 100 -7.821 -32.989 -17.524 778 H SER 101 HN SER 101 -7.127 -35.901 -16.674 779 HA SER 101 HA SER 101 -6.495 -36.802 -19.445 780 HB2 SER 101 2HB SER 101 -6.102 -38.289 -16.821 781 HB3 SER 101 3HB SER 101 -5.695 -38.893 -18.445 782 HG SER 101 HG SER 101 -3.879 -38.010 -17.343 Start of MODEL 6 1 H1 MET 1 HN MET 1 -33.451 -32.313 64.787 2 HA MET 1 HA MET 1 -35.822 -33.070 63.416 3 HB2 MET 1 2HB MET 1 -36.296 -31.490 65.964 4 HB3 MET 1 3HB MET 1 -37.476 -31.640 64.640 5 HG2 MET 1 2HG MET 1 -38.075 -33.183 66.371 6 HG3 MET 1 3HG MET 1 -37.474 -34.104 64.983 7 HE1 MET 1 3HE MET 1 -37.248 -36.239 66.563 8 HE2 MET 1 1HE MET 1 -36.337 -36.249 68.090 9 HE3 MET 1 2HE MET 1 -37.823 -35.282 67.949 10 H GLY 2 HN GLY 2 -37.149 -30.754 63.004 11 HA2 GLY 2 1HA GLY 2 -36.483 -28.327 62.786 12 HA3 GLY 2 2HA GLY 2 -34.948 -28.941 62.131 13 H SER 3 HN SER 3 -38.343 -28.380 61.545 14 HA SER 3 HA SER 3 -37.977 -29.333 58.752 15 HB2 SER 3 2HB SER 3 -40.575 -29.218 58.812 16 HB3 SER 3 3HB SER 3 -39.755 -30.562 59.643 17 HG SER 3 HG SER 3 -41.381 -29.573 60.941 18 H SER 4 HN SER 4 -36.970 -27.438 58.000 19 HA SER 4 HA SER 4 -38.968 -25.310 57.489 20 HB2 SER 4 2HB SER 4 -36.060 -24.826 58.239 21 HB3 SER 4 3HB SER 4 -37.231 -23.583 57.736 22 HG SER 4 HG SER 4 -37.030 -23.741 60.024 23 H HIS 5 HN HIS 5 -39.257 -26.402 55.461 24 HA HIS 5 HA HIS 5 -37.009 -26.550 53.621 25 HB2 HIS 5 2HB HIS 5 -39.996 -26.718 53.100 26 HB3 HIS 5 3HB HIS 5 -38.714 -27.098 51.934 27 HD1 HIS 5 1HD HIS 5 -41.013 -28.793 53.921 28 HD2 HIS 5 2HD HIS 5 -36.890 -29.207 53.379 29 HE1 HIS 5 1HE HIS 5 -40.439 -31.150 54.646 30 HE2 HIS 5 2HE HIS 5 -37.937 -31.396 54.310 31 H HIS 6 HN HIS 6 -36.317 -25.025 52.241 32 HA HIS 6 HA HIS 6 -37.387 -22.352 52.778 33 HB2 HIS 6 2HB HIS 6 -34.942 -23.282 51.238 34 HB3 HIS 6 3HB HIS 6 -35.366 -21.588 51.546 35 HD1 HIS 6 1HD HIS 6 -32.708 -22.940 52.550 36 HD2 HIS 6 2HD HIS 6 -36.168 -22.407 54.830 37 HE1 HIS 6 1HE HIS 6 -31.966 -22.949 54.972 38 HE2 HIS 6 2HE HIS 6 -34.071 -22.626 56.354 39 H HIS 7 HN HIS 7 -38.238 -20.964 51.354 40 HA HIS 7 HA HIS 7 -38.566 -21.879 48.540 41 HB2 HIS 7 2HB HIS 7 -40.637 -20.542 50.320 42 HB3 HIS 7 3HB HIS 7 -40.796 -20.727 48.563 43 HD1 HIS 7 1HD HIS 7 -41.192 -22.538 51.781 44 HD2 HIS 7 2HD HIS 7 -41.220 -23.411 47.697 45 HE1 HIS 7 1HE HIS 7 -42.235 -24.837 51.555 46 HE2 HIS 7 2HE HIS 7 -42.250 -25.362 49.072 47 H HIS 8 HN HIS 8 -37.119 -20.527 47.530 48 HA HIS 8 HA HIS 8 -36.910 -17.772 48.465 49 HB2 HIS 8 2HB HIS 8 -35.236 -17.456 46.740 50 HB3 HIS 8 3HB HIS 8 -34.893 -18.911 47.694 51 HD1 HIS 8 1HD HIS 8 -36.306 -17.930 44.277 52 HD2 HIS 8 2HD HIS 8 -34.488 -21.158 46.215 53 HE1 HIS 8 1HE HIS 8 -35.801 -19.641 42.481 54 HE2 HIS 8 2HE HIS 8 -34.694 -21.594 43.657 55 H HIS 9 HN HIS 9 -37.899 -16.045 47.685 56 HA HIS 9 HA HIS 9 -39.349 -16.357 45.112 57 HB2 HIS 9 2HB HIS 9 -41.046 -14.743 46.023 58 HB3 HIS 9 3HB HIS 9 -41.061 -16.366 46.737 59 HD1 HIS 9 1HD HIS 9 -40.985 -12.828 47.612 60 HD2 HIS 9 2HD HIS 9 -39.803 -16.414 49.403 61 HE1 HIS 9 1HE HIS 9 -40.720 -12.333 50.088 62 HE2 HIS 9 2HE HIS 9 -40.006 -14.515 51.166 63 H HIS 10 HN HIS 10 -37.182 -15.634 44.456 64 HA HIS 10 HA HIS 10 -37.211 -12.729 44.055 65 HB2 HIS 10 2HB HIS 10 -35.150 -14.176 45.665 66 HB3 HIS 10 3HB HIS 10 -34.573 -12.965 44.505 67 HD1 HIS 10 1HD HIS 10 -34.974 -10.509 45.036 68 HD2 HIS 10 2HD HIS 10 -36.668 -13.117 47.821 69 HE1 HIS 10 1HE HIS 10 -35.691 -9.077 46.995 70 HE2 HIS 10 2HE HIS 10 -36.726 -10.664 48.688 71 H SER 11 HN SER 11 -36.468 -12.209 42.066 72 HA SER 11 HA SER 11 -36.250 -14.215 40.101 73 HB2 SER 11 2HB SER 11 -35.135 -11.390 39.979 74 HB3 SER 11 3HB SER 11 -35.617 -12.415 38.606 75 HG SER 11 HG SER 11 -37.237 -10.890 39.189 76 H SER 12 HN SER 12 -34.711 -15.666 39.807 77 HA SER 12 HA SER 12 -32.081 -15.366 40.946 78 HB2 SER 12 2HB SER 12 -33.039 -17.389 38.889 79 HB3 SER 12 3HB SER 12 -31.641 -17.539 39.981 80 HG SER 12 HG SER 12 -33.495 -18.666 40.749 81 H GLY 13 HN GLY 13 -31.214 -13.463 40.043 82 HA2 GLY 13 1HA GLY 13 -29.537 -12.674 38.647 83 HA3 GLY 13 2HA GLY 13 -29.802 -14.055 37.560 84 H ARG 14 HN ARG 14 -31.315 -13.929 35.910 85 HA ARG 14 HA ARG 14 -32.417 -12.923 34.204 86 HB2 ARG 14 2HB ARG 14 -33.179 -11.005 36.398 87 HB3 ARG 14 3HB ARG 14 -33.660 -10.722 34.708 88 HG2 ARG 14 2HG ARG 14 -34.751 -12.960 34.699 89 HG3 ARG 14 3HG ARG 14 -34.366 -13.112 36.431 90 HD2 ARG 14 2HD ARG 14 -35.705 -11.161 36.948 91 HD3 ARG 14 3HD ARG 14 -35.991 -10.853 35.222 92 HE ARG 14 HE ARG 14 -36.937 -13.411 35.635 93 HH11 ARG 14 2HH1 ARG 14 -37.581 -10.248 37.056 94 HH12 ARG 14 1HH1 ARG 14 -39.245 -10.624 37.437 95 HH21 ARG 14 2HH2 ARG 14 -39.099 -13.885 36.145 96 HH22 ARG 14 1HH2 ARG 14 -40.104 -12.682 36.921 97 H GLU 15 HN GLU 15 -31.874 -11.744 32.485 98 HA GLU 15 HA GLU 15 -29.324 -10.377 32.611 99 HB2 GLU 15 2HB GLU 15 -31.317 -10.653 30.338 100 HB3 GLU 15 3HB GLU 15 -29.614 -10.155 30.196 101 HG2 GLU 15 2HG GLU 15 -28.817 -12.294 30.657 102 HG3 GLU 15 3HG GLU 15 -30.341 -12.807 31.414 103 HE2 GLU 15 2HE GLU 15 -29.948 -13.162 27.506 104 H ASN 16 HN ASN 16 -28.863 -8.222 32.311 105 HA ASN 16 HA ASN 16 -31.201 -6.401 32.601 106 HB2 ASN 16 2HB ASN 16 -29.716 -4.809 33.607 107 HB3 ASN 16 3HB ASN 16 -29.446 -6.376 34.400 108 HD21 ASN 16 1HD2 ASN 16 -28.093 -3.883 32.341 109 HD22 ASN 16 2HD2 ASN 16 -26.453 -4.497 32.330 110 H LEU 17 HN LEU 17 -31.130 -4.347 31.479 111 HA LEU 17 HA LEU 17 -29.621 -4.549 28.922 112 HB2 LEU 17 2HB LEU 17 -31.305 -3.312 27.842 113 HB3 LEU 17 3HB LEU 17 -32.147 -4.540 28.817 114 HG LEU 17 HG LEU 17 -31.816 -1.657 29.680 115 HD11 LEU 17 1HD1 LEU 17 -34.140 -1.329 28.926 116 HD12 LEU 17 2HD1 LEU 17 -33.074 -1.767 27.570 117 HD13 LEU 17 3HD1 LEU 17 -34.161 -2.985 28.278 118 HD21 LEU 17 3HD2 LEU 17 -32.286 -3.252 31.487 119 HD22 LEU 17 1HD2 LEU 17 -33.678 -2.185 31.204 120 HD23 LEU 17 2HD2 LEU 17 -33.702 -3.854 30.593 121 H TYR 18 HN TYR 18 -29.332 -2.209 27.955 122 HA TYR 18 HA TYR 18 -28.793 -0.153 29.952 123 HB2 TYR 18 2HB TYR 18 -26.824 -1.696 30.133 124 HB3 TYR 18 3HB TYR 18 -26.475 -1.384 28.424 125 HD1 TYR 18 2HD TYR 18 -26.631 0.190 31.785 126 HD2 TYR 18 1HD TYR 18 -25.319 0.602 27.753 127 HE1 TYR 18 2HE TYR 18 -25.300 2.155 32.419 128 HE2 TYR 18 1HE TYR 18 -23.983 2.562 28.389 129 HH TYR 18 HH TYR 18 -23.870 3.781 31.736 130 H PHE 19 HN PHE 19 -29.772 1.455 28.911 131 HA PHE 19 HA PHE 19 -30.127 3.107 27.386 132 HB2 PHE 19 2HB PHE 19 -27.696 3.262 27.186 133 HB3 PHE 19 3HB PHE 19 -27.694 1.969 25.974 134 HD1 PHE 19 2HD PHE 19 -29.086 5.378 26.606 135 HD2 PHE 19 1HD PHE 19 -27.819 2.514 23.718 136 HE1 PHE 19 2HE PHE 19 -29.383 7.046 24.826 137 HE2 PHE 19 1HE PHE 19 -28.115 4.178 21.935 138 HZ PHE 19 HZ PHE 19 -28.882 6.452 22.485 139 H GLN 20 HN GLN 20 -31.599 3.357 25.817 140 HA GLN 20 HA GLN 20 -32.286 0.946 24.254 141 HB2 GLN 20 2HB GLN 20 -34.354 2.210 23.687 142 HB3 GLN 20 3HB GLN 20 -34.129 1.918 25.428 143 HG2 GLN 20 2HG GLN 20 -33.331 4.228 25.702 144 HG3 GLN 20 3HG GLN 20 -33.583 4.515 23.966 145 HE21 GLN 20 1HE2 GLN 20 -35.106 4.075 27.096 146 HE22 GLN 20 2HE2 GLN 20 -36.716 4.566 26.610 147 H GLY 21 HN GLY 21 -31.187 0.727 22.436 148 HA2 GLY 21 1HA GLY 21 -31.249 1.717 20.095 149 HA3 GLY 21 2HA GLY 21 -30.603 3.187 20.859 150 H HIS 22 HN HIS 22 -28.850 2.786 19.198 151 HA HIS 22 HA HIS 22 -26.758 1.187 20.553 152 HB2 HIS 22 2HB HIS 22 -27.901 -0.077 18.597 153 HB3 HIS 22 3HB HIS 22 -27.032 1.062 17.553 154 HD1 HIS 22 1HD HIS 22 -24.818 0.216 16.791 155 HD2 HIS 22 2HD HIS 22 -25.934 -1.392 20.484 156 HE1 HIS 22 1HE HIS 22 -22.983 -1.413 17.443 157 HE2 HIS 22 2HE HIS 22 -23.668 -2.377 19.687 158 H MET 23 HN MET 23 -27.635 3.601 18.089 159 HA MET 23 HA MET 23 -26.655 5.577 17.501 160 HB2 MET 23 2HB MET 23 -26.336 5.959 19.902 161 HB3 MET 23 3HB MET 23 -24.799 5.063 19.848 162 HG2 MET 23 2HG MET 23 -23.880 6.762 18.319 163 HG3 MET 23 3HG MET 23 -25.404 7.661 18.410 164 HE1 MET 23 3HE MET 23 -26.169 7.236 21.507 165 HE2 MET 23 1HE MET 23 -25.476 8.709 22.220 166 HE3 MET 23 2HE MET 23 -26.319 8.792 20.658 167 H ALA 24 HN ALA 24 -25.259 6.146 15.910 168 HA ALA 24 HA ALA 24 -22.811 4.481 15.613 169 HB1 ALA 24 1HB ALA 24 -23.122 4.506 13.174 170 HB2 ALA 24 2HB ALA 24 -24.489 3.717 13.997 171 HB3 ALA 24 3HB ALA 24 -24.659 5.378 13.380 172 H ALA 25 HN ALA 25 -21.611 6.121 16.626 173 HA ALA 25 HA ALA 25 -21.466 8.657 15.079 174 HB1 ALA 25 1HB ALA 25 -20.633 9.701 17.147 175 HB2 ALA 25 2HB ALA 25 -22.231 8.958 17.392 176 HB3 ALA 25 3HB ALA 25 -20.767 8.139 17.987 177 H ARG 26 HN ARG 26 -19.709 8.994 13.938 178 HA ARG 26 HA ARG 26 -17.111 8.033 14.960 179 HB2 ARG 26 2HB ARG 26 -18.076 6.298 13.363 180 HB3 ARG 26 3HB ARG 26 -17.971 7.539 12.091 181 HG2 ARG 26 2HG ARG 26 -15.489 7.718 12.750 182 HG3 ARG 26 3HG ARG 26 -15.745 6.173 13.594 183 HD2 ARG 26 2HD ARG 26 -16.651 5.262 11.415 184 HD3 ARG 26 3HD ARG 26 -16.080 6.757 10.642 185 HE ARG 26 HE ARG 26 -14.452 4.541 11.672 186 HH11 ARG 26 2HH1 ARG 26 -14.498 7.872 10.497 187 HH12 ARG 26 1HH1 ARG 26 -12.812 7.858 10.035 188 HH21 ARG 26 2HH2 ARG 26 -12.266 4.544 11.043 189 HH22 ARG 26 1HH2 ARG 26 -11.554 5.980 10.343 190 H ILE 27 HN ILE 27 -15.418 9.423 14.383 191 HA ILE 27 HA ILE 27 -16.305 11.879 13.017 192 HB ILE 27 HB ILE 27 -14.191 12.872 13.761 193 HG12 ILE 27 2HG1 ILE 27 -13.634 10.197 15.074 194 HG13 ILE 27 3HG1 ILE 27 -12.821 10.814 13.616 195 HG21 ILE 27 1HG2 ILE 27 -14.626 12.841 16.183 196 HG22 ILE 27 2HG2 ILE 27 -16.139 12.936 15.250 197 HG23 ILE 27 3HG2 ILE 27 -15.638 11.392 15.981 198 HD11 ILE 27 3HD1 ILE 27 -12.746 12.080 16.364 199 HD12 ILE 27 1HD1 ILE 27 -11.433 11.147 15.618 200 HD13 ILE 27 2HD1 ILE 27 -11.932 12.695 14.906 201 H THR 28 HN THR 28 -15.052 12.827 11.307 202 HA THR 28 HA THR 28 -13.924 10.732 9.569 203 HB THR 28 HB THR 28 -15.633 12.198 8.590 204 HG1 THR 28 1HG THR 28 -14.380 12.858 6.767 205 HG21 THR 28 3HG2 THR 28 -13.673 14.457 9.114 206 HG22 THR 28 1HG2 THR 28 -15.191 14.591 8.196 207 HG23 THR 28 2HG2 THR 28 -15.236 14.215 9.933 208 H GLY 29 HN GLY 29 -11.838 10.703 8.832 209 HA2 GLY 29 1HA GLY 29 -10.065 12.922 9.679 210 HA3 GLY 29 2HA GLY 29 -9.669 11.259 10.172 211 H GLU 30 HN GLU 30 -9.746 9.639 8.284 212 HA GLU 30 HA GLU 30 -8.223 10.869 6.041 213 HB2 GLU 30 2HB GLU 30 -8.223 7.924 6.684 214 HB3 GLU 30 3HB GLU 30 -7.014 8.882 5.798 215 HG2 GLU 30 2HG GLU 30 -5.933 8.452 7.786 216 HG3 GLU 30 3HG GLU 30 -6.635 10.057 8.084 217 HE2 GLU 30 2HE GLU 30 -7.587 8.306 11.002 218 HA PRO 31 HA PRO 31 -12.316 9.770 4.182 219 HB2 PRO 31 2HB PRO 31 -11.158 11.472 1.981 220 HB3 PRO 31 3HB PRO 31 -12.751 11.549 2.802 221 HG2 PRO 31 2HG PRO 31 -10.838 13.326 3.288 222 HG3 PRO 31 3HG PRO 31 -11.984 12.795 4.561 223 HD2 PRO 31 2HD PRO 31 -9.095 12.073 4.088 224 HD3 PRO 31 3HD PRO 31 -9.989 12.263 5.627 225 H SER 32 HN SER 32 -9.139 9.877 2.593 226 HA SER 32 HA SER 32 -9.556 7.139 1.650 227 HB2 SER 32 2HB SER 32 -9.037 9.429 -0.287 228 HB3 SER 32 3HB SER 32 -8.892 7.700 -0.690 229 HG SER 32 HG SER 32 -10.941 8.579 -1.261 230 H LYS 33 HN LYS 33 -7.873 6.586 3.053 231 HA LYS 33 HA LYS 33 -5.266 7.884 2.525 232 HB2 LYS 33 2HB LYS 33 -5.966 7.622 4.874 233 HB3 LYS 33 3HB LYS 33 -6.052 5.859 4.646 234 HG2 LYS 33 2HG LYS 33 -3.681 5.731 4.265 235 HG3 LYS 33 3HG LYS 33 -3.539 7.506 4.260 236 HD2 LYS 33 2HD LYS 33 -2.762 6.688 6.380 237 HD3 LYS 33 3HD LYS 33 -4.319 7.515 6.631 238 HE2 LYS 33 2HE LYS 33 -5.481 5.431 6.834 239 HE3 LYS 33 3HE LYS 33 -4.051 4.515 6.312 240 HZ1 LYS 33 3HZ LYS 33 -4.262 6.093 8.792 241 HZ2 LYS 33 1HZ LYS 33 -4.328 4.448 8.691 242 HZ3 LYS 33 2HZ LYS 33 -2.935 5.242 8.306 243 H LYS 34 HN LYS 34 -4.283 7.080 0.793 244 HA LYS 34 HA LYS 34 -4.637 4.219 0.167 245 HB2 LYS 34 2HB LYS 34 -3.363 6.461 -1.428 246 HB3 LYS 34 3HB LYS 34 -3.628 4.794 -1.995 247 HG2 LYS 34 2HG LYS 34 -6.047 5.103 -1.794 248 HG3 LYS 34 3HG LYS 34 -5.791 6.763 -1.208 249 HD2 LYS 34 2HD LYS 34 -5.003 5.669 -3.927 250 HD3 LYS 34 3HD LYS 34 -6.358 6.769 -3.582 251 HE2 LYS 34 2HE LYS 34 -4.745 8.450 -2.742 252 HE3 LYS 34 3HE LYS 34 -3.411 7.356 -3.164 253 HZ1 LYS 34 3HZ LYS 34 -5.353 8.497 -5.057 254 HZ2 LYS 34 1HZ LYS 34 -3.791 8.990 -4.869 255 HZ3 LYS 34 2HZ LYS 34 -4.113 7.482 -5.448 256 H ALA 35 HN ALA 35 -3.300 2.952 1.210 257 HA ALA 35 HA ALA 35 -0.411 3.395 0.792 258 HB1 ALA 35 1HB ALA 35 0.079 2.754 3.120 259 HB2 ALA 35 2HB ALA 35 -0.874 4.256 3.052 260 HB3 ALA 35 3HB ALA 35 -1.665 2.718 3.477 261 H VAL 36 HN VAL 36 0.792 1.395 0.849 262 HA VAL 36 HA VAL 36 -0.534 -0.764 -0.333 263 HB VAL 36 HB VAL 36 1.840 -0.563 -0.565 264 HG11 VAL 36 1HG1 VAL 36 3.422 -0.912 1.289 265 HG12 VAL 36 2HG1 VAL 36 2.364 0.487 1.584 266 HG13 VAL 36 3HG1 VAL 36 2.058 -1.054 2.421 267 HG21 VAL 36 3HG2 VAL 36 0.921 -2.829 -0.692 268 HG22 VAL 36 1HG2 VAL 36 2.576 -2.851 -0.041 269 HG23 VAL 36 2HG2 VAL 36 1.188 -3.044 1.054 270 H SER 37 HN SER 37 -1.941 -2.119 0.374 271 HA SER 37 HA SER 37 -2.072 -2.628 3.305 272 HB2 SER 37 2HB SER 37 -4.304 -2.663 1.238 273 HB3 SER 37 3HB SER 37 -4.484 -2.965 2.983 274 HG SER 37 HG SER 37 -4.987 -0.796 2.400 275 H ASP 38 HN ASP 38 -2.204 -4.690 4.040 276 HA ASP 38 HA ASP 38 -1.167 -6.713 2.253 277 HB2 ASP 38 2HB ASP 38 -0.894 -8.048 4.167 278 HB3 ASP 38 3HB ASP 38 -0.675 -6.389 4.769 279 HD2 ASP 38 2HD ASP 38 -3.598 -8.555 6.226 280 H ARG 39 HN ARG 39 -4.283 -5.585 2.888 281 HA ARG 39 HA ARG 39 -5.798 -7.979 3.011 282 HB2 ARG 39 2HB ARG 39 -6.676 -5.411 1.664 283 HB3 ARG 39 3HB ARG 39 -7.691 -6.637 2.461 284 HG2 ARG 39 2HG ARG 39 -6.670 -6.048 4.626 285 HG3 ARG 39 3HG ARG 39 -5.712 -4.787 3.814 286 HD2 ARG 39 2HD ARG 39 -7.496 -3.564 4.629 287 HD3 ARG 39 3HD ARG 39 -8.043 -3.938 2.981 288 HE ARG 39 HE ARG 39 -8.867 -5.802 5.101 289 HH11 ARG 39 2HH1 ARG 39 -9.682 -3.143 2.947 290 HH12 ARG 39 1HH1 ARG 39 -11.405 -3.288 3.212 291 HH21 ARG 39 2HH2 ARG 39 -11.116 -5.950 5.486 292 HH22 ARG 39 1HH2 ARG 39 -12.217 -4.879 4.651 293 H LEU 40 HN LEU 40 -4.312 -6.276 0.305 294 HA LEU 40 HA LEU 40 -5.737 -7.947 -1.655 295 HB2 LEU 40 2HB LEU 40 -3.546 -5.891 -2.062 296 HB3 LEU 40 3HB LEU 40 -4.576 -6.620 -3.318 297 HG LEU 40 HG LEU 40 -6.495 -5.552 -1.810 298 HD11 LEU 40 1HD1 LEU 40 -5.821 -3.346 -0.952 299 HD12 LEU 40 2HD1 LEU 40 -4.971 -4.662 -0.112 300 HD13 LEU 40 3HD1 LEU 40 -4.128 -3.708 -1.357 301 HD21 LEU 40 3HD2 LEU 40 -6.119 -5.151 -4.196 302 HD22 LEU 40 1HD2 LEU 40 -6.494 -3.633 -3.348 303 HD23 LEU 40 2HD2 LEU 40 -4.815 -4.004 -3.805 304 H ILE 41 HN ILE 41 -3.020 -8.209 0.312 305 HA ILE 41 HA ILE 41 -1.382 -9.617 -1.682 306 HB ILE 41 HB ILE 41 -0.865 -9.137 1.279 307 HG12 ILE 41 2HG1 ILE 41 -1.015 -7.028 0.107 308 HG13 ILE 41 3HG1 ILE 41 0.687 -7.380 0.488 309 HG21 ILE 41 1HG2 ILE 41 1.473 -9.689 0.729 310 HG22 ILE 41 2HG2 ILE 41 0.384 -11.047 0.366 311 HG23 ILE 41 3HG2 ILE 41 0.997 -10.022 -0.953 312 HD11 ILE 41 3HD1 ILE 41 -0.648 -7.760 -2.206 313 HD12 ILE 41 1HD1 ILE 41 0.457 -6.436 -1.776 314 HD13 ILE 41 2HD1 ILE 41 1.056 -8.108 -1.824 315 H GLY 42 HN GLY 42 -1.137 -11.765 -1.844 316 HA2 GLY 42 1HA GLY 42 -1.243 -13.994 -1.059 317 HA3 GLY 42 2HA GLY 42 -2.286 -13.467 0.282 318 H ARG 43 HN ARG 43 -3.321 -11.934 -2.457 319 HA ARG 43 HA ARG 43 -5.503 -13.907 -2.804 320 HB2 ARG 43 2HB ARG 43 -5.262 -10.986 -3.602 321 HB3 ARG 43 3HB ARG 43 -6.673 -12.020 -3.923 322 HG2 ARG 43 2HG ARG 43 -5.607 -11.227 -1.201 323 HG3 ARG 43 3HG ARG 43 -7.073 -10.600 -1.992 324 HD2 ARG 43 2HD ARG 43 -6.553 -13.437 -1.056 325 HD3 ARG 43 3HD ARG 43 -7.721 -12.279 -0.386 326 HE ARG 43 HE ARG 43 -8.468 -12.512 -3.019 327 HH11 ARG 43 2HH1 ARG 43 -7.948 -14.799 -0.386 328 HH12 ARG 43 1HH1 ARG 43 -9.125 -15.943 -0.987 329 HH21 ARG 43 2HH2 ARG 43 -9.985 -14.007 -3.788 330 HH22 ARG 43 1HH2 ARG 43 -10.277 -15.494 -2.914 331 H LYS 44 HN LYS 44 -6.456 -13.862 -5.120 332 HA LYS 44 HA LYS 44 -4.272 -14.542 -6.945 333 HB2 LYS 44 2HB LYS 44 -6.265 -15.971 -6.820 334 HB3 LYS 44 3HB LYS 44 -7.292 -14.595 -7.293 335 HG2 LYS 44 2HG LYS 44 -5.924 -14.483 -9.427 336 HG3 LYS 44 3HG LYS 44 -5.236 -16.056 -8.956 337 HD2 LYS 44 2HD LYS 44 -8.197 -15.495 -9.283 338 HD3 LYS 44 3HD LYS 44 -7.160 -16.224 -10.532 339 HE2 LYS 44 2HE LYS 44 -6.622 -18.065 -8.941 340 HE3 LYS 44 3HE LYS 44 -7.774 -17.359 -7.787 341 HZ1 LYS 44 3HZ LYS 44 -8.433 -18.329 -10.488 342 HZ2 LYS 44 1HZ LYS 44 -8.771 -19.112 -9.078 343 HZ3 LYS 44 2HZ LYS 44 -9.502 -17.675 -9.417 344 H GLY 45 HN GLY 45 -3.741 -13.502 -8.816 345 HA2 GLY 45 1HA GLY 45 -5.294 -11.050 -9.446 346 HA3 GLY 45 2HA GLY 45 -3.516 -11.042 -9.417 347 H VAL 46 HN VAL 46 -4.875 -10.281 -11.669 348 HA VAL 46 HA VAL 46 -4.350 -12.579 -13.493 349 HB VAL 46 HB VAL 46 -6.754 -11.955 -13.420 350 HG11 VAL 46 1HG1 VAL 46 -7.507 -9.805 -14.338 351 HG12 VAL 46 2HG1 VAL 46 -6.511 -9.583 -12.882 352 HG13 VAL 46 3HG1 VAL 46 -5.815 -9.281 -14.492 353 HG21 VAL 46 3HG2 VAL 46 -5.802 -12.902 -15.466 354 HG22 VAL 46 1HG2 VAL 46 -7.095 -11.742 -15.846 355 HG23 VAL 46 2HG2 VAL 46 -5.391 -11.268 -16.040 356 H VAL 47 HN VAL 47 -3.209 -12.157 -15.400 357 HA VAL 47 HA VAL 47 -1.430 -9.849 -15.130 358 HB VAL 47 HB VAL 47 -1.400 -12.053 -17.223 359 HG11 VAL 47 1HG1 VAL 47 0.952 -11.404 -17.508 360 HG12 VAL 47 2HG1 VAL 47 -0.144 -10.043 -17.840 361 HG13 VAL 47 3HG1 VAL 47 0.743 -10.116 -16.298 362 HG21 VAL 47 3HG2 VAL 47 -1.233 -12.999 -14.967 363 HG22 VAL 47 1HG2 VAL 47 0.317 -13.131 -15.831 364 HG23 VAL 47 2HG2 VAL 47 0.096 -11.878 -14.589 365 H MET 48 HN MET 48 -1.910 -7.950 -16.012 366 HA MET 48 HA MET 48 -3.594 -7.881 -18.439 367 HB2 MET 48 2HB MET 48 -2.580 -5.717 -16.577 368 HB3 MET 48 3HB MET 48 -3.465 -5.384 -18.085 369 HG2 MET 48 2HG MET 48 -5.352 -6.755 -17.190 370 HG3 MET 48 3HG MET 48 -4.479 -6.867 -15.654 371 HE1 MET 48 3HE MET 48 -6.208 -4.443 -18.237 372 HE2 MET 48 1HE MET 48 -5.959 -2.860 -17.469 373 HE3 MET 48 2HE MET 48 -4.567 -3.767 -18.101 374 H GLU 49 HN GLU 49 -0.350 -7.065 -17.255 375 HA GLU 49 HA GLU 49 0.469 -6.706 -20.102 376 HB2 GLU 49 2HB GLU 49 0.635 -4.606 -18.846 377 HB3 GLU 49 3HB GLU 49 1.639 -5.414 -17.618 378 HG2 GLU 49 2HG GLU 49 3.030 -4.104 -19.106 379 HG3 GLU 49 3HG GLU 49 3.364 -5.836 -19.324 380 HE2 GLU 49 2HE GLU 49 2.134 -3.750 -22.396 381 H ALA 50 HN ALA 50 2.169 -7.865 -20.818 382 HA ALA 50 HA ALA 50 2.656 -10.331 -19.567 383 HB1 ALA 50 1HB ALA 50 4.381 -10.652 -21.293 384 HB2 ALA 50 2HB ALA 50 2.902 -9.941 -21.976 385 HB3 ALA 50 3HB ALA 50 4.324 -8.916 -21.670 386 H ILE 51 HN ILE 51 3.875 -10.959 -17.964 387 HA ILE 51 HA ILE 51 5.896 -9.110 -16.883 388 HB ILE 51 HB ILE 51 4.850 -11.763 -15.810 389 HG12 ILE 51 2HG1 ILE 51 4.267 -8.953 -14.842 390 HG13 ILE 51 3HG1 ILE 51 3.207 -9.858 -15.949 391 HG21 ILE 51 1HG2 ILE 51 5.945 -11.103 -13.703 392 HG22 ILE 51 2HG2 ILE 51 7.124 -11.255 -15.026 393 HG23 ILE 51 3HG2 ILE 51 6.586 -9.644 -14.493 394 HD11 ILE 51 3HD1 ILE 51 3.979 -10.696 -13.141 395 HD12 ILE 51 1HD1 ILE 51 2.412 -10.015 -13.625 396 HD13 ILE 51 2HD1 ILE 51 2.918 -11.600 -14.248 397 H SER 52 HN SER 52 7.997 -9.315 -17.327 398 HA SER 52 HA SER 52 8.954 -12.009 -18.164 399 HB2 SER 52 2HB SER 52 10.597 -10.755 -19.617 400 HB3 SER 52 3HB SER 52 8.898 -10.675 -20.142 401 HG SER 52 HG SER 52 9.943 -8.627 -20.197 402 HA PRO 53 HA PRO 53 12.039 -11.496 -15.101 403 HB2 PRO 53 2HB PRO 53 14.213 -12.810 -16.135 404 HB3 PRO 53 3HB PRO 53 12.683 -13.643 -15.706 405 HG2 PRO 53 2HG PRO 53 13.667 -12.798 -18.376 406 HG3 PRO 53 3HG PRO 53 12.843 -14.320 -17.905 407 HD2 PRO 53 2HD PRO 53 11.630 -12.132 -19.129 408 HD3 PRO 53 3HD PRO 53 10.769 -13.335 -18.122 409 H GLN 54 HN GLN 54 12.371 -9.913 -18.072 410 HA GLN 54 HA GLN 54 14.809 -8.483 -17.137 411 HB2 GLN 54 2HB GLN 54 13.530 -8.513 -19.887 412 HB3 GLN 54 3HB GLN 54 15.048 -7.702 -19.434 413 HG2 GLN 54 2HG GLN 54 16.024 -9.906 -18.883 414 HG3 GLN 54 3HG GLN 54 14.523 -10.683 -19.430 415 HE21 GLN 54 1HE2 GLN 54 15.537 -11.849 -21.082 416 HE22 GLN 54 2HE2 GLN 54 16.139 -11.074 -22.533 417 H ASN 55 HN ASN 55 11.430 -8.131 -18.140 418 HA ASN 55 HA ASN 55 11.515 -5.353 -17.080 419 HB2 ASN 55 2HB ASN 55 11.572 -5.318 -19.574 420 HB3 ASN 55 3HB ASN 55 10.038 -6.214 -19.592 421 HD21 ASN 55 1HD2 ASN 55 8.118 -5.155 -19.210 422 HD22 ASN 55 2HD2 ASN 55 8.004 -3.419 -19.004 423 H SER 56 HN SER 56 9.817 -4.772 -15.834 424 HA SER 56 HA SER 56 8.337 -6.950 -14.683 425 HB2 SER 56 2HB SER 56 7.753 -4.011 -14.247 426 HB3 SER 56 3HB SER 56 7.583 -5.364 -13.103 427 HG SER 56 HG SER 56 9.455 -4.083 -12.696 428 H GLY 57 HN GLY 57 6.048 -7.174 -14.507 429 HA2 GLY 57 1HA GLY 57 4.612 -6.010 -16.847 430 HA3 GLY 57 2HA GLY 57 4.258 -7.596 -16.123 431 H LEU 58 HN LEU 58 2.048 -6.408 -16.249 432 HA LEU 58 HA LEU 58 1.673 -5.072 -13.616 433 HB2 LEU 58 2HB LEU 58 0.430 -4.410 -16.285 434 HB3 LEU 58 3HB LEU 58 -0.334 -3.950 -14.745 435 HG LEU 58 HG LEU 58 1.948 -2.829 -14.235 436 HD11 LEU 58 1HD1 LEU 58 3.130 -1.990 -16.223 437 HD12 LEU 58 2HD1 LEU 58 3.174 -3.766 -16.136 438 HD13 LEU 58 3HD1 LEU 58 2.059 -2.957 -17.263 439 HD21 LEU 58 3HD2 LEU 58 -0.178 -1.651 -14.546 440 HD22 LEU 58 1HD2 LEU 58 1.162 -0.751 -15.293 441 HD23 LEU 58 2HD2 LEU 58 0.048 -1.692 -16.312 442 H VAL 59 HN VAL 59 0.277 -6.016 -12.299 443 HA VAL 59 HA VAL 59 -1.562 -8.027 -13.486 444 HB VAL 59 HB VAL 59 -1.523 -9.148 -11.246 445 HG11 VAL 59 1HG1 VAL 59 0.668 -10.223 -11.567 446 HG12 VAL 59 2HG1 VAL 59 -0.167 -9.968 -13.118 447 HG13 VAL 59 3HG1 VAL 59 1.164 -8.889 -12.635 448 HG21 VAL 59 3HG2 VAL 59 -0.785 -7.241 -9.892 449 HG22 VAL 59 1HG2 VAL 59 0.304 -8.630 -9.680 450 HG23 VAL 59 2HG2 VAL 59 0.796 -7.265 -10.708 451 H LYS 60 HN LYS 60 -3.676 -8.075 -12.830 452 HA LYS 60 HA LYS 60 -4.544 -5.627 -11.396 453 HB2 LYS 60 2HB LYS 60 -5.333 -6.282 -13.789 454 HB3 LYS 60 3HB LYS 60 -6.355 -7.468 -12.943 455 HG2 LYS 60 2HG LYS 60 -7.432 -5.686 -11.687 456 HG3 LYS 60 3HG LYS 60 -6.370 -4.479 -12.453 457 HD2 LYS 60 2HD LYS 60 -7.327 -5.515 -14.681 458 HD3 LYS 60 3HD LYS 60 -8.656 -6.035 -13.617 459 HE2 LYS 60 2HE LYS 60 -9.201 -3.890 -14.609 460 HE3 LYS 60 3HE LYS 60 -8.933 -3.689 -12.865 461 HZ1 LYS 60 3HZ LYS 60 -6.969 -3.092 -14.980 462 HZ2 LYS 60 1HZ LYS 60 -7.840 -1.975 -14.136 463 HZ3 LYS 60 2HZ LYS 60 -6.721 -2.905 -13.360 464 H VAL 61 HN VAL 61 -4.938 -5.897 -9.329 465 HA VAL 61 HA VAL 61 -5.878 -8.531 -8.379 466 HB VAL 61 HB VAL 61 -5.036 -6.120 -6.730 467 HG11 VAL 61 1HG1 VAL 61 -4.816 -7.761 -4.910 468 HG12 VAL 61 2HG1 VAL 61 -6.472 -7.722 -5.554 469 HG13 VAL 61 3HG1 VAL 61 -5.373 -9.048 -6.003 470 HG21 VAL 61 3HG2 VAL 61 -3.167 -6.883 -8.126 471 HG22 VAL 61 1HG2 VAL 61 -2.882 -7.271 -6.414 472 HG23 VAL 61 2HG2 VAL 61 -3.400 -8.547 -7.539 473 H ASP 62 HN ASP 62 -7.974 -8.407 -9.170 474 HA ASP 62 HA ASP 62 -10.213 -8.142 -8.911 475 HB2 ASP 62 2HB ASP 62 -9.742 -8.295 -6.477 476 HB3 ASP 62 3HB ASP 62 -9.582 -6.526 -6.423 477 HD2 ASP 62 2HD ASP 62 -13.007 -6.099 -6.412 478 H GLY 63 HN GLY 63 -9.049 -5.014 -7.603 479 HA2 GLY 63 1HA GLY 63 -10.327 -3.719 -9.961 480 HA3 GLY 63 2HA GLY 63 -10.596 -3.121 -8.308 481 H GLU 64 HN GLU 64 -7.580 -4.101 -8.005 482 HA GLU 64 HA GLU 64 -6.496 -1.436 -8.743 483 HB2 GLU 64 2HB GLU 64 -5.609 -3.578 -6.789 484 HB3 GLU 64 3HB GLU 64 -4.628 -2.146 -7.186 485 HG2 GLU 64 2HG GLU 64 -7.425 -2.041 -6.040 486 HG3 GLU 64 3HG GLU 64 -5.936 -1.953 -5.074 487 HE2 GLU 64 2HE GLU 64 -5.259 1.289 -6.218 488 H THR 65 HN THR 65 -4.325 -1.320 -9.646 489 HA THR 65 HA THR 65 -3.432 -3.842 -10.941 490 HB THR 65 HB THR 65 -3.343 -1.137 -12.318 491 HG1 THR 65 1HG THR 65 -5.116 -1.970 -13.556 492 HG21 THR 65 3HG2 THR 65 -2.991 -3.982 -13.329 493 HG22 THR 65 1HG2 THR 65 -2.904 -2.510 -14.324 494 HG23 THR 65 2HG2 THR 65 -1.686 -2.802 -13.060 495 H TRP 66 HN TRP 66 -1.449 -4.297 -10.313 496 HA TRP 66 HA TRP 66 0.286 -2.047 -9.397 497 HB2 TRP 66 2HB TRP 66 0.102 -4.894 -8.335 498 HB3 TRP 66 3HB TRP 66 1.272 -3.679 -7.800 499 HD1 TRP 66 1HD TRP 66 -2.579 -4.273 -7.763 500 HE1 TRP 66 1HE TRP 66 -3.578 -3.095 -5.726 501 HE3 TRP 66 3HE TRP 66 1.674 -1.997 -6.069 502 HZ2 TRP 66 2HZ TRP 66 -2.641 -1.422 -3.634 503 HZ3 TRP 66 3HZ TRP 66 1.544 -0.625 -4.027 504 HH2 TRP 66 2HH TRP 66 -0.586 -0.343 -2.828 505 H ARG 67 HN ARG 67 2.646 -2.543 -9.492 506 HA ARG 67 HA ARG 67 3.303 -3.913 -11.978 507 HB2 ARG 67 2HB ARG 67 5.054 -2.635 -9.861 508 HB3 ARG 67 3HB ARG 67 5.649 -3.341 -11.383 509 HG2 ARG 67 2HG ARG 67 3.833 -1.696 -12.395 510 HG3 ARG 67 3HG ARG 67 4.172 -0.820 -10.884 511 HD2 ARG 67 2HD ARG 67 6.199 -1.674 -12.969 512 HD3 ARG 67 3HD ARG 67 5.606 -0.024 -12.687 513 HE ARG 67 HE ARG 67 7.476 -1.560 -10.989 514 HH11 ARG 67 2HH1 ARG 67 5.553 1.355 -11.448 515 HH12 ARG 67 1HH1 ARG 67 6.541 2.326 -10.380 516 HH21 ARG 67 2HH2 ARG 67 8.800 -0.266 -9.653 517 HH22 ARG 67 1HH2 ARG 67 8.380 1.408 -9.363 518 H ALA 68 HN ALA 68 4.732 -5.692 -12.152 519 HA ALA 68 HA ALA 68 4.915 -7.353 -9.712 520 HB1 ALA 68 1HB ALA 68 3.917 -9.281 -10.864 521 HB2 ALA 68 2HB ALA 68 2.769 -7.926 -10.748 522 HB3 ALA 68 3HB ALA 68 3.597 -8.264 -12.287 523 H THR 69 HN THR 69 6.587 -8.712 -9.628 524 HA THR 69 HA THR 69 8.240 -8.982 -12.075 525 HB THR 69 HB THR 69 10.247 -8.962 -10.495 526 HG1 THR 69 1HG THR 69 9.881 -7.807 -8.525 527 HG21 THR 69 3HG2 THR 69 8.638 -6.405 -10.785 528 HG22 THR 69 1HG2 THR 69 10.386 -6.503 -10.473 529 HG23 THR 69 2HG2 THR 69 9.724 -7.103 -12.010 530 H SER 70 HN SER 70 9.094 -10.971 -12.446 531 HA SER 70 HA SER 70 9.083 -12.980 -10.309 532 HB2 SER 70 2HB SER 70 6.774 -12.995 -11.422 533 HB3 SER 70 3HB SER 70 7.603 -13.551 -12.896 534 HG SER 70 HG SER 70 6.816 -15.287 -11.608 535 H GLY 71 HN GLY 71 10.152 -15.028 -11.095 536 HA2 GLY 71 1HA GLY 71 12.307 -14.339 -12.964 537 HA3 GLY 71 2HA GLY 71 12.143 -15.838 -12.020 538 H THR 72 HN THR 72 9.266 -15.975 -12.959 539 HA THR 72 HA THR 72 9.863 -17.452 -15.434 540 HB THR 72 HB THR 72 7.120 -17.255 -14.195 541 HG1 THR 72 1HG THR 72 7.759 -18.940 -12.743 542 HG21 THR 72 3HG2 THR 72 8.682 -19.545 -15.442 543 HG22 THR 72 1HG2 THR 72 6.993 -19.621 -14.895 544 HG23 THR 72 2HG2 THR 72 7.438 -18.568 -16.256 545 H VAL 73 HN VAL 73 8.161 -17.275 -17.210 546 HA VAL 73 HA VAL 73 7.558 -14.407 -17.645 547 HB VAL 73 HB VAL 73 8.877 -15.493 -19.400 548 HG11 VAL 73 1HG1 VAL 73 7.941 -17.273 -20.809 549 HG12 VAL 73 2HG1 VAL 73 8.105 -17.792 -19.117 550 HG13 VAL 73 3HG1 VAL 73 6.507 -17.345 -19.761 551 HG21 VAL 73 3HG2 VAL 73 7.346 -13.689 -20.014 552 HG22 VAL 73 1HG2 VAL 73 7.494 -14.872 -21.334 553 HG23 VAL 73 2HG2 VAL 73 6.049 -14.874 -20.297 554 H LEU 74 HN LEU 74 5.535 -13.655 -17.650 555 HA LEU 74 HA LEU 74 3.331 -15.663 -17.644 556 HB2 LEU 74 2HB LEU 74 3.498 -13.156 -15.951 557 HB3 LEU 74 3HB LEU 74 2.181 -14.354 -15.959 558 HG LEU 74 HG LEU 74 5.026 -14.951 -15.109 559 HD11 LEU 74 1HD1 LEU 74 4.176 -14.886 -12.803 560 HD12 LEU 74 2HD1 LEU 74 4.010 -13.307 -13.603 561 HD13 LEU 74 3HD1 LEU 74 2.588 -14.358 -13.404 562 HD21 LEU 74 3HD2 LEU 74 3.746 -16.888 -15.899 563 HD22 LEU 74 1HD2 LEU 74 4.022 -16.978 -14.145 564 HD23 LEU 74 2HD2 LEU 74 2.431 -16.487 -14.769 565 H ASP 75 HN ASP 75 1.936 -15.327 -19.228 566 HA ASP 75 HA ASP 75 2.055 -12.734 -20.638 567 HB2 ASP 75 2HB ASP 75 2.230 -15.074 -21.750 568 HB3 ASP 75 3HB ASP 75 0.470 -15.146 -21.523 569 HD2 ASP 75 2HD ASP 75 -0.083 -12.882 -24.090 570 H VAL 76 HN VAL 76 -0.292 -12.369 -21.761 571 HA VAL 76 HA VAL 76 -1.735 -11.249 -19.529 572 HB VAL 76 HB VAL 76 -2.421 -11.279 -22.494 573 HG11 VAL 76 1HG1 VAL 76 -3.788 -9.298 -21.990 574 HG12 VAL 76 2HG1 VAL 76 -4.342 -10.722 -21.082 575 HG13 VAL 76 3HG1 VAL 76 -3.386 -9.462 -20.267 576 HG21 VAL 76 3HG2 VAL 76 -0.213 -10.302 -22.066 577 HG22 VAL 76 1HG2 VAL 76 -1.377 -9.051 -22.562 578 HG23 VAL 76 2HG2 VAL 76 -0.923 -9.214 -20.850 579 H GLY 77 HN GLY 77 -3.663 -11.795 -18.650 580 HA2 GLY 77 1HA GLY 77 -5.799 -12.800 -18.670 581 HA3 GLY 77 2HA GLY 77 -5.285 -13.852 -20.009 582 H GLU 78 HN GLU 78 -2.734 -14.059 -18.044 583 HA GLU 78 HA GLU 78 -3.585 -16.632 -17.039 584 HB2 GLU 78 2HB GLU 78 -1.059 -15.013 -16.663 585 HB3 GLU 78 3HB GLU 78 -1.297 -16.671 -16.058 586 HG2 GLU 78 2HG GLU 78 -1.256 -15.744 -18.927 587 HG3 GLU 78 3HG GLU 78 -0.050 -16.749 -18.095 588 HE2 GLU 78 2HE GLU 78 -3.015 -18.534 -19.823 589 H GLU 79 HN GLU 79 -2.862 -17.206 -14.751 590 HA GLU 79 HA GLU 79 -4.056 -15.197 -12.900 591 HB2 GLU 79 2HB GLU 79 -3.860 -18.211 -12.596 592 HB3 GLU 79 3HB GLU 79 -4.636 -17.083 -11.460 593 HG2 GLU 79 2HG GLU 79 -6.279 -16.495 -13.206 594 HG3 GLU 79 3HG GLU 79 -5.526 -17.686 -14.290 595 HE2 GLU 79 2HE GLU 79 -8.133 -18.947 -11.681 596 H VAL 80 HN VAL 80 -2.796 -14.400 -11.304 597 HA VAL 80 HA VAL 80 -0.261 -15.874 -10.809 598 HB VAL 80 HB VAL 80 0.780 -13.730 -10.173 599 HG11 VAL 80 1HG1 VAL 80 1.000 -12.797 -12.434 600 HG12 VAL 80 2HG1 VAL 80 1.030 -14.575 -12.455 601 HG13 VAL 80 3HG1 VAL 80 -0.442 -13.703 -12.945 602 HG21 VAL 80 3HG2 VAL 80 -1.230 -12.518 -9.486 603 HG22 VAL 80 1HG2 VAL 80 -0.315 -11.596 -10.702 604 HG23 VAL 80 2HG2 VAL 80 -1.789 -12.473 -11.175 605 H SER 81 HN SER 81 0.449 -16.153 -8.755 606 HA SER 81 HA SER 81 -1.463 -15.444 -6.591 607 HB2 SER 81 2HB SER 81 0.855 -17.416 -6.559 608 HB3 SER 81 3HB SER 81 -0.395 -17.210 -5.309 609 HG SER 81 HG SER 81 -0.825 -18.980 -6.714 610 H VAL 82 HN VAL 82 -0.937 -13.766 -5.316 611 HA VAL 82 HA VAL 82 1.699 -12.563 -5.573 612 HB VAL 82 HB VAL 82 -0.548 -11.841 -3.655 613 HG11 VAL 82 1HG1 VAL 82 0.542 -9.639 -3.576 614 HG12 VAL 82 2HG1 VAL 82 1.636 -10.928 -3.026 615 HG13 VAL 82 3HG1 VAL 82 1.824 -10.236 -4.654 616 HG21 VAL 82 3HG2 VAL 82 -1.330 -11.772 -5.975 617 HG22 VAL 82 1HG2 VAL 82 -1.192 -10.132 -5.300 618 HG23 VAL 82 2HG2 VAL 82 0.051 -10.740 -6.418 619 H LYS 83 HN LYS 83 3.384 -13.427 -4.580 620 HA LYS 83 HA LYS 83 3.030 -14.993 -2.149 621 HB2 LYS 83 2HB LYS 83 5.394 -14.273 -3.892 622 HB3 LYS 83 3HB LYS 83 5.552 -15.204 -2.384 623 HG2 LYS 83 2HG LYS 83 3.876 -16.012 -4.770 624 HG3 LYS 83 3HG LYS 83 5.498 -16.636 -4.384 625 HD2 LYS 83 2HD LYS 83 4.675 -17.444 -2.225 626 HD3 LYS 83 3HD LYS 83 3.053 -16.818 -2.609 627 HE2 LYS 83 2HE LYS 83 2.920 -18.339 -4.534 628 HE3 LYS 83 3HE LYS 83 4.543 -18.960 -4.159 629 HZ1 LYS 83 3HZ LYS 83 2.185 -19.161 -2.406 630 HZ2 LYS 83 1HZ LYS 83 2.824 -20.390 -3.300 631 HZ3 LYS 83 2HZ LYS 83 3.690 -19.737 -2.058 632 H ALA 84 HN ALA 84 4.678 -11.932 -3.095 633 HA ALA 84 HA ALA 84 4.408 -10.968 -0.360 634 HB1 ALA 84 1HB ALA 84 6.820 -10.670 0.044 635 HB2 ALA 84 2HB ALA 84 6.399 -12.388 -0.142 636 HB3 ALA 84 3HB ALA 84 7.177 -11.511 -1.482 637 H ILE 85 HN ILE 85 5.858 -8.854 -0.171 638 HA ILE 85 HA ILE 85 5.214 -7.260 -2.603 639 HB ILE 85 HB ILE 85 5.601 -6.254 0.243 640 HG12 ILE 85 2HG1 ILE 85 2.994 -6.751 -1.218 641 HG13 ILE 85 3HG1 ILE 85 3.670 -7.812 0.041 642 HG21 ILE 85 1HG2 ILE 85 4.502 -4.222 -0.610 643 HG22 ILE 85 2HG2 ILE 85 5.981 -4.592 -1.526 644 HG23 ILE 85 3HG2 ILE 85 4.386 -4.962 -2.222 645 HD11 ILE 85 3HD1 ILE 85 2.862 -4.915 0.401 646 HD12 ILE 85 1HD1 ILE 85 1.939 -6.325 0.963 647 HD13 ILE 85 2HD1 ILE 85 3.536 -5.978 1.660 648 H GLU 86 HN GLU 86 6.795 -5.988 -3.535 649 HA GLU 86 HA GLU 86 9.434 -5.910 -2.164 650 HB2 GLU 86 2HB GLU 86 8.941 -7.646 -4.206 651 HB3 GLU 86 3HB GLU 86 9.490 -6.213 -5.106 652 HG2 GLU 86 2HG GLU 86 11.017 -7.542 -2.857 653 HG3 GLU 86 3HG GLU 86 11.299 -7.825 -4.588 654 HE2 GLU 86 2HE GLU 86 13.068 -4.881 -4.917 655 H GLY 87 HN GLY 87 8.726 -3.733 -1.630 656 HA2 GLY 87 1HA GLY 87 8.894 -1.467 -1.979 657 HA3 GLY 87 2HA GLY 87 9.607 -1.803 -3.573 658 H VAL 88 HN VAL 88 8.502 -1.021 -5.220 659 HA VAL 88 HA VAL 88 5.598 -0.552 -4.910 660 HB VAL 88 HB VAL 88 7.376 0.195 -7.257 661 HG11 VAL 88 1HG1 VAL 88 5.638 1.875 -7.709 662 HG12 VAL 88 2HG1 VAL 88 4.969 0.227 -7.710 663 HG13 VAL 88 3HG1 VAL 88 4.713 1.293 -6.307 664 HG21 VAL 88 3HG2 VAL 88 8.288 1.178 -5.205 665 HG22 VAL 88 1HG2 VAL 88 7.571 2.429 -6.246 666 HG23 VAL 88 2HG2 VAL 88 6.689 1.855 -4.812 667 H LYS 89 HN LYS 89 7.524 -3.057 -5.709 668 HA LYS 89 HA LYS 89 5.805 -4.002 -7.953 669 HB2 LYS 89 2HB LYS 89 8.358 -5.267 -6.929 670 HB3 LYS 89 3HB LYS 89 7.547 -5.528 -8.492 671 HG2 LYS 89 2HG LYS 89 8.235 -3.408 -9.307 672 HG3 LYS 89 3HG LYS 89 8.771 -2.883 -7.693 673 HD2 LYS 89 2HD LYS 89 10.007 -5.072 -9.402 674 HD3 LYS 89 3HD LYS 89 10.708 -3.477 -9.041 675 HE2 LYS 89 2HE LYS 89 10.782 -4.060 -6.649 676 HE3 LYS 89 3HE LYS 89 10.100 -5.658 -7.021 677 HZ1 LYS 89 3HZ LYS 89 12.687 -4.633 -7.977 678 HZ2 LYS 89 1HZ LYS 89 12.479 -5.741 -6.776 679 HZ3 LYS 89 2HZ LYS 89 12.054 -6.116 -8.323 680 H LEU 90 HN LEU 90 4.862 -6.102 -7.821 681 HA LEU 90 HA LEU 90 4.874 -7.258 -5.083 682 HB2 LEU 90 2HB LEU 90 2.989 -7.824 -7.383 683 HB3 LEU 90 3HB LEU 90 2.884 -8.481 -5.732 684 HG LEU 90 HG LEU 90 2.515 -5.589 -6.547 685 HD11 LEU 90 1HD1 LEU 90 0.180 -5.964 -5.857 686 HD12 LEU 90 2HD1 LEU 90 0.648 -7.056 -7.182 687 HD13 LEU 90 3HD1 LEU 90 0.557 -7.669 -5.513 688 HD21 LEU 90 3HD2 LEU 90 3.566 -5.788 -4.334 689 HD22 LEU 90 1HD2 LEU 90 1.887 -5.220 -4.192 690 HD23 LEU 90 2HD2 LEU 90 2.286 -6.914 -3.822 691 H VAL 91 HN VAL 91 5.530 -9.318 -4.749 692 HA VAL 91 HA VAL 91 7.018 -10.586 -6.948 693 HB VAL 91 HB VAL 91 6.714 -11.456 -4.046 694 HG11 VAL 91 1HG1 VAL 91 8.680 -12.864 -4.496 695 HG12 VAL 91 2HG1 VAL 91 7.319 -13.285 -5.560 696 HG13 VAL 91 3HG1 VAL 91 8.678 -12.323 -6.190 697 HG21 VAL 91 3HG2 VAL 91 7.799 -9.264 -4.213 698 HG22 VAL 91 1HG2 VAL 91 8.961 -10.512 -3.708 699 HG23 VAL 91 2HG2 VAL 91 8.964 -9.923 -5.386 700 H VAL 92 HN VAL 92 5.826 -11.785 -8.316 701 HA VAL 92 HA VAL 92 3.655 -13.412 -7.104 702 HB VAL 92 HB VAL 92 2.256 -12.978 -9.089 703 HG11 VAL 92 1HG1 VAL 92 1.620 -10.662 -8.563 704 HG12 VAL 92 2HG1 VAL 92 1.953 -11.600 -7.089 705 HG13 VAL 92 3HG1 VAL 92 3.158 -10.438 -7.699 706 HG21 VAL 92 3HG2 VAL 92 4.038 -12.498 -10.698 707 HG22 VAL 92 1HG2 VAL 92 2.837 -11.187 -10.669 708 HG23 VAL 92 2HG2 VAL 92 4.402 -10.976 -9.850 709 H GLU 93 HN GLU 93 2.950 -15.220 -8.406 710 HA GLU 93 HA GLU 93 4.704 -16.003 -10.621 711 HB2 GLU 93 2HB GLU 93 5.023 -18.290 -9.599 712 HB3 GLU 93 3HB GLU 93 5.977 -16.965 -8.889 713 HG2 GLU 93 2HG GLU 93 4.240 -16.805 -7.085 714 HG3 GLU 93 3HG GLU 93 3.508 -18.283 -7.746 715 HE2 GLU 93 2HE GLU 93 5.828 -20.243 -6.139 716 H LYS 94 HN LYS 94 3.923 -18.191 -11.507 717 HA LYS 94 HA LYS 94 1.201 -17.724 -12.253 718 HB2 LYS 94 2HB LYS 94 2.850 -18.687 -13.785 719 HB3 LYS 94 3HB LYS 94 3.013 -20.114 -12.733 720 HG2 LYS 94 2HG LYS 94 0.570 -20.563 -13.128 721 HG3 LYS 94 3HG LYS 94 0.603 -19.270 -14.352 722 HD2 LYS 94 2HD LYS 94 2.202 -20.465 -15.680 723 HD3 LYS 94 3HD LYS 94 2.452 -21.671 -14.395 724 HE2 LYS 94 2HE LYS 94 0.094 -22.378 -14.626 725 HE3 LYS 94 3HE LYS 94 -0.113 -21.207 -15.947 726 HZ1 LYS 94 3HZ LYS 94 1.750 -23.486 -15.957 727 HZ2 LYS 94 1HZ LYS 94 0.321 -23.410 -16.774 728 HZ3 LYS 94 2HZ LYS 94 1.556 -22.399 -17.181 729 H LEU 95 HN LEU 95 -0.665 -18.689 -11.687 730 HA LEU 95 HA LEU 95 -0.674 -20.478 -9.364 731 HB2 LEU 95 2HB LEU 95 -2.392 -18.571 -10.296 732 HB3 LEU 95 3HB LEU 95 -3.155 -20.056 -10.911 733 HG LEU 95 HG LEU 95 -2.388 -19.723 -8.026 734 HD11 LEU 95 1HD1 LEU 95 -4.709 -19.023 -7.584 735 HD12 LEU 95 2HD1 LEU 95 -3.864 -17.859 -8.628 736 HD13 LEU 95 3HD1 LEU 95 -5.031 -19.003 -9.333 737 HD21 LEU 95 3HD2 LEU 95 -2.865 -22.001 -8.800 738 HD22 LEU 95 1HD2 LEU 95 -4.124 -21.436 -7.679 739 HD23 LEU 95 2HD2 LEU 95 -4.441 -21.463 -9.428 740 H GLU 96 HN GLU 96 -1.386 -22.602 -9.386 741 HA GLU 96 HA GLU 96 -1.609 -24.735 -10.182 742 HB2 GLU 96 2HB GLU 96 -3.346 -23.738 -11.692 743 HB3 GLU 96 3HB GLU 96 -2.079 -23.528 -12.924 744 HG2 GLU 96 2HG GLU 96 -1.704 -25.986 -12.883 745 HG3 GLU 96 3HG GLU 96 -3.071 -26.141 -11.758 746 HE2 GLU 96 2HE GLU 96 -3.834 -25.466 -15.596 747 H GLU 97 HN GLU 97 0.866 -23.035 -10.218 748 HA GLU 97 HA GLU 97 2.470 -24.387 -12.291 749 HB2 GLU 97 2HB GLU 97 2.632 -21.908 -11.004 750 HB3 GLU 97 3HB GLU 97 3.958 -22.865 -10.302 751 HG2 GLU 97 2HG GLU 97 3.476 -22.347 -13.248 752 HG3 GLU 97 3HG GLU 97 4.718 -21.583 -12.233 753 HE2 GLU 97 2HE GLU 97 5.318 -25.318 -13.452 754 H GLN 98 HN GLN 98 3.756 -26.093 -11.930 755 HA GLN 98 HA GLN 98 4.559 -27.964 -10.902 756 HB2 GLN 98 2HB GLN 98 4.713 -26.115 -8.500 757 HB3 GLN 98 3HB GLN 98 5.408 -27.752 -8.562 758 HG2 GLN 98 2HG GLN 98 6.856 -27.032 -10.431 759 HG3 GLN 98 3HG GLN 98 6.196 -25.388 -10.280 760 HE21 GLN 98 1HE2 GLN 98 8.219 -24.483 -9.791 761 HE22 GLN 98 2HE2 GLN 98 8.997 -24.736 -8.243 762 H LYS 99 HN LYS 99 4.262 -29.186 -8.507 763 HA LYS 99 HA LYS 99 1.308 -29.389 -8.197 764 HB2 LYS 99 2HB LYS 99 3.482 -31.390 -7.491 765 HB3 LYS 99 3HB LYS 99 1.728 -31.637 -7.324 766 HG2 LYS 99 2HG LYS 99 1.488 -31.404 -9.774 767 HG3 LYS 99 3HG LYS 99 3.255 -31.236 -9.912 768 HD2 LYS 99 2HD LYS 99 2.643 -33.514 -10.418 769 HD3 LYS 99 3HD LYS 99 3.501 -33.480 -8.859 770 HE2 LYS 99 2HE LYS 99 1.606 -34.968 -8.684 771 HE3 LYS 99 3HE LYS 99 1.305 -33.523 -7.693 772 HZ1 LYS 99 3HZ LYS 99 0.216 -34.011 -10.384 773 HZ2 LYS 99 1HZ LYS 99 -0.623 -34.140 -8.972 774 HZ3 LYS 99 2HZ LYS 99 -0.063 -32.671 -9.464 775 H GLY 100 HN GLY 100 2.092 -27.242 -6.963 776 HA2 GLY 100 1HA GLY 100 3.153 -27.875 -4.298 777 HA3 GLY 100 2HA GLY 100 2.836 -26.260 -4.974 778 H SER 101 HN SER 101 1.717 -25.461 -3.239 779 HA SER 101 HA SER 101 -0.796 -26.905 -2.540 780 HB2 SER 101 2HB SER 101 0.680 -24.906 -0.803 781 HB3 SER 101 3HB SER 101 -0.612 -26.036 -0.329 782 HG SER 101 HG SER 101 1.483 -26.776 0.275 Start of MODEL 7 1 H1 MET 1 HN MET 1 5.917 23.429 42.624 2 HA MET 1 HA MET 1 6.133 24.455 39.987 3 HB2 MET 1 2HB MET 1 5.412 26.589 40.937 4 HB3 MET 1 3HB MET 1 6.707 26.504 42.155 5 HG2 MET 1 2HG MET 1 8.398 26.715 40.449 6 HG3 MET 1 3HG MET 1 7.180 26.614 39.166 7 HE1 MET 1 3HE MET 1 8.649 28.781 42.101 8 HE2 MET 1 1HE MET 1 7.562 30.188 42.103 9 HE3 MET 1 2HE MET 1 6.948 28.592 42.589 10 H GLY 2 HN GLY 2 8.159 24.141 39.185 11 HA2 GLY 2 1HA GLY 2 10.602 24.134 39.728 12 HA3 GLY 2 2HA GLY 2 10.167 23.223 41.191 13 H SER 3 HN SER 3 8.516 21.317 40.483 14 HA SER 3 HA SER 3 10.095 19.714 38.558 15 HB2 SER 3 2HB SER 3 7.855 18.868 40.431 16 HB3 SER 3 3HB SER 3 8.966 17.803 39.537 17 HG SER 3 HG SER 3 9.595 18.104 41.733 18 H SER 4 HN SER 4 8.825 21.595 37.171 19 HA SER 4 HA SER 4 6.084 20.784 36.562 20 HB2 SER 4 2HB SER 4 6.327 22.731 34.894 21 HB3 SER 4 3HB SER 4 6.390 23.115 36.631 22 HG SER 4 HG SER 4 8.071 24.132 35.433 23 H HIS 5 HN HIS 5 8.858 21.527 34.405 24 HA HIS 5 HA HIS 5 9.433 20.722 32.353 25 HB2 HIS 5 2HB HIS 5 8.195 18.143 33.368 26 HB3 HIS 5 3HB HIS 5 9.190 18.299 31.909 27 HD1 HIS 5 1HD HIS 5 9.435 17.488 35.416 28 HD2 HIS 5 2HD HIS 5 11.906 19.378 32.624 29 HE1 HIS 5 1HE HIS 5 11.770 17.462 36.403 30 HE2 HIS 5 2HE HIS 5 13.261 18.612 34.706 31 H HIS 6 HN HIS 6 6.575 18.590 32.525 32 HA HIS 6 HA HIS 6 4.458 18.756 31.666 33 HB2 HIS 6 2HB HIS 6 4.564 20.942 32.913 34 HB3 HIS 6 3HB HIS 6 5.050 21.723 31.396 35 HD1 HIS 6 1HD HIS 6 3.221 22.662 30.031 36 HD2 HIS 6 2HD HIS 6 1.863 19.723 32.671 37 HE1 HIS 6 1HE HIS 6 0.693 22.661 29.848 38 HE2 HIS 6 2HE HIS 6 -0.122 20.868 31.447 39 H HIS 7 HN HIS 7 6.983 18.611 29.939 40 HA HIS 7 HA HIS 7 7.522 18.415 27.741 41 HB2 HIS 7 2HB HIS 7 4.533 18.683 27.396 42 HB3 HIS 7 3HB HIS 7 5.630 18.550 26.009 43 HD1 HIS 7 1HD HIS 7 7.127 16.304 25.938 44 HD2 HIS 7 2HD HIS 7 3.864 16.289 28.547 45 HE1 HIS 7 1HE HIS 7 6.683 13.875 26.496 46 HE2 HIS 7 2HE HIS 7 4.704 13.870 28.084 47 H HIS 8 HN HIS 8 8.164 19.680 25.968 48 HA HIS 8 HA HIS 8 8.100 22.525 26.672 49 HB2 HIS 8 2HB HIS 8 10.196 21.218 26.026 50 HB3 HIS 8 3HB HIS 8 9.581 21.243 24.364 51 HD1 HIS 8 1HD HIS 8 11.356 23.272 26.882 52 HD2 HIS 8 2HD HIS 8 9.447 23.903 23.219 53 HE1 HIS 8 1HE HIS 8 12.102 25.561 26.079 54 HE2 HIS 8 2HE HIS 8 10.938 25.936 23.854 55 H HIS 9 HN HIS 9 5.892 22.947 26.169 56 HA HIS 9 HA HIS 9 5.650 23.641 23.306 57 HB2 HIS 9 2HB HIS 9 3.138 23.181 23.512 58 HB3 HIS 9 3HB HIS 9 4.232 21.807 23.268 59 HD1 HIS 9 1HD HIS 9 2.400 20.225 24.201 60 HD2 HIS 9 2HD HIS 9 3.805 23.046 26.941 61 HE1 HIS 9 1HE HIS 9 1.607 19.452 26.477 62 HE2 HIS 9 2HE HIS 9 2.468 21.165 28.143 63 H HIS 10 HN HIS 10 5.069 25.669 22.950 64 HA HIS 10 HA HIS 10 4.903 27.383 25.314 65 HB2 HIS 10 2HB HIS 10 6.356 27.811 23.284 66 HB3 HIS 10 3HB HIS 10 4.870 28.167 22.382 67 HD1 HIS 10 1HD HIS 10 4.538 30.597 22.163 68 HD2 HIS 10 2HD HIS 10 6.278 29.592 25.827 69 HE1 HIS 10 1HE HIS 10 4.890 32.780 23.401 70 HE2 HIS 10 2HE HIS 10 5.941 32.163 25.629 71 H SER 11 HN SER 11 2.645 25.702 23.580 72 HA SER 11 HA SER 11 0.367 25.757 23.562 73 HB2 SER 11 2HB SER 11 0.644 28.158 25.408 74 HB3 SER 11 3HB SER 11 -0.844 27.225 25.113 75 HG SER 11 HG SER 11 0.261 26.559 27.020 76 H SER 12 HN SER 12 2.206 27.583 21.862 77 HA SER 12 HA SER 12 0.443 29.739 21.044 78 HB2 SER 12 2HB SER 12 2.882 28.550 19.669 79 HB3 SER 12 3HB SER 12 2.116 30.113 19.301 80 HG SER 12 HG SER 12 3.937 30.322 20.695 81 H GLY 13 HN GLY 13 -0.701 29.889 19.047 82 HA2 GLY 13 1HA GLY 13 -1.269 27.217 17.873 83 HA3 GLY 13 2HA GLY 13 -2.585 28.251 18.475 84 H ARG 14 HN ARG 14 -2.974 27.523 16.062 85 HA ARG 14 HA ARG 14 -1.825 29.519 14.211 86 HB2 ARG 14 2HB ARG 14 -3.579 27.072 13.849 87 HB3 ARG 14 3HB ARG 14 -3.207 28.206 12.528 88 HG2 ARG 14 2HG ARG 14 -1.066 26.790 14.120 89 HG3 ARG 14 3HG ARG 14 -1.801 26.097 12.654 90 HD2 ARG 14 2HD ARG 14 -0.425 28.797 12.810 91 HD3 ARG 14 3HD ARG 14 0.322 27.305 12.201 92 HE ARG 14 HE ARG 14 -1.859 27.452 10.635 93 HH11 ARG 14 2HH1 ARG 14 0.414 29.962 11.605 94 HH12 ARG 14 1HH1 ARG 14 0.271 30.848 10.103 95 HH21 ARG 14 2HH2 ARG 14 -2.009 28.597 8.663 96 HH22 ARG 14 1HH2 ARG 14 -1.100 30.074 8.438 97 H GLU 15 HN GLU 15 -2.841 31.415 13.921 98 HA GLU 15 HA GLU 15 -5.663 31.704 14.648 99 HB2 GLU 15 2HB GLU 15 -5.390 34.023 13.961 100 HB3 GLU 15 3HB GLU 15 -4.071 33.532 15.051 101 HG2 GLU 15 2HG GLU 15 -2.562 33.291 13.163 102 HG3 GLU 15 3HG GLU 15 -3.877 33.683 12.033 103 HE2 GLU 15 2HE GLU 15 -2.049 36.619 13.932 104 H ASN 16 HN ASN 16 -3.726 30.941 11.914 105 HA ASN 16 HA ASN 16 -6.093 31.155 10.113 106 HB2 ASN 16 2HB ASN 16 -3.844 32.293 9.544 107 HB3 ASN 16 3HB ASN 16 -3.225 30.647 9.285 108 HD21 ASN 16 1HD2 ASN 16 -5.320 33.192 8.093 109 HD22 ASN 16 2HD2 ASN 16 -5.651 32.469 6.533 110 H LEU 17 HN LEU 17 -5.655 29.220 8.295 111 HA LEU 17 HA LEU 17 -6.261 26.851 9.820 112 HB2 LEU 17 2HB LEU 17 -5.756 27.251 6.857 113 HB3 LEU 17 3HB LEU 17 -6.392 25.763 7.600 114 HG LEU 17 HG LEU 17 -7.745 28.477 7.602 115 HD11 LEU 17 1HD1 LEU 17 -9.372 27.415 6.090 116 HD12 LEU 17 2HD1 LEU 17 -7.736 27.411 5.392 117 HD13 LEU 17 3HD1 LEU 17 -8.404 25.921 6.102 118 HD21 LEU 17 3HD2 LEU 17 -8.247 27.171 9.621 119 HD22 LEU 17 1HD2 LEU 17 -9.671 27.275 8.560 120 HD23 LEU 17 2HD2 LEU 17 -8.710 25.780 8.612 121 H TYR 18 HN TYR 18 -5.188 24.767 9.572 122 HA TYR 18 HA TYR 18 -2.309 25.014 9.883 123 HB2 TYR 18 2HB TYR 18 -4.124 22.580 9.748 124 HB3 TYR 18 3HB TYR 18 -2.395 22.533 10.129 125 HD1 TYR 18 2HD TYR 18 -1.580 23.548 12.272 126 HD2 TYR 18 1HD TYR 18 -5.737 23.164 11.421 127 HE1 TYR 18 2HE TYR 18 -2.094 23.826 14.659 128 HE2 TYR 18 1HE TYR 18 -6.252 23.427 13.806 129 HH TYR 18 HH TYR 18 -3.714 23.914 16.254 130 H PHE 19 HN PHE 19 -0.799 24.817 8.310 131 HA PHE 19 HA PHE 19 -1.723 23.820 5.690 132 HB2 PHE 19 2HB PHE 19 0.521 24.602 4.884 133 HB3 PHE 19 3HB PHE 19 -0.571 25.864 5.475 134 HD1 PHE 19 2HD PHE 19 -0.133 26.938 7.677 135 HD2 PHE 19 1HD PHE 19 2.643 24.243 5.890 136 HE1 PHE 19 2HE PHE 19 1.636 27.778 9.156 137 HE2 PHE 19 1HE PHE 19 4.415 25.092 7.362 138 HZ PHE 19 HZ PHE 19 3.915 26.864 8.994 139 H GLN 20 HN GLN 20 -1.739 21.715 5.535 140 HA GLN 20 HA GLN 20 0.337 20.145 6.943 141 HB2 GLN 20 2HB GLN 20 -2.271 19.333 5.615 142 HB3 GLN 20 3HB GLN 20 -1.169 18.236 6.480 143 HG2 GLN 20 2HG GLN 20 -1.564 19.396 8.559 144 HG3 GLN 20 3HG GLN 20 -2.537 20.631 7.729 145 HE21 GLN 20 1HE2 GLN 20 -4.651 20.154 7.068 146 HE22 GLN 20 2HE2 GLN 20 -5.505 18.739 7.646 147 H GLY 21 HN GLY 21 1.176 18.186 5.809 148 HA2 GLY 21 1HA GLY 21 2.167 17.174 3.991 149 HA3 GLY 21 2HA GLY 21 1.129 18.149 2.925 150 H HIS 22 HN HIS 22 2.815 18.557 1.469 151 HA HIS 22 HA HIS 22 4.502 19.806 0.572 152 HB2 HIS 22 2HB HIS 22 3.949 21.528 3.005 153 HB3 HIS 22 3HB HIS 22 5.111 21.970 1.740 154 HD1 HIS 22 1HD HIS 22 4.221 23.014 -0.359 155 HD2 HIS 22 2HD HIS 22 1.200 21.451 2.071 156 HE1 HIS 22 1HE HIS 22 2.029 23.804 -1.359 157 HE2 HIS 22 2HE HIS 22 0.201 22.848 0.118 158 H MET 23 HN MET 23 5.112 17.558 2.209 159 HA MET 23 HA MET 23 7.914 18.247 2.795 160 HB2 MET 23 2HB MET 23 7.846 16.933 4.911 161 HB3 MET 23 3HB MET 23 6.935 18.461 4.969 162 HG2 MET 23 2HG MET 23 5.577 16.938 6.096 163 HG3 MET 23 3HG MET 23 4.861 17.045 4.478 164 HE1 MET 23 3HE MET 23 3.485 14.827 4.974 165 HE2 MET 23 1HE MET 23 4.222 13.303 5.517 166 HE3 MET 23 2HE MET 23 4.228 14.723 6.588 167 H ALA 24 HN ALA 24 9.302 16.356 2.894 168 HA ALA 24 HA ALA 24 8.095 14.056 1.444 169 HB1 ALA 24 1HB ALA 24 10.224 13.801 0.235 170 HB2 ALA 24 2HB ALA 24 9.495 15.396 -0.061 171 HB3 ALA 24 3HB ALA 24 10.864 15.238 1.064 172 H ALA 25 HN ALA 25 7.785 12.791 3.246 173 HA ALA 25 HA ALA 25 9.979 12.286 5.091 174 HB1 ALA 25 1HB ALA 25 8.432 10.656 6.097 175 HB2 ALA 25 2HB ALA 25 7.643 12.231 5.847 176 HB3 ALA 25 3HB ALA 25 7.310 10.882 4.734 177 H ARG 26 HN ARG 26 11.189 10.408 5.280 178 HA ARG 26 HA ARG 26 11.054 8.568 2.944 179 HB2 ARG 26 2HB ARG 26 13.519 9.799 4.216 180 HB3 ARG 26 3HB ARG 26 13.550 8.468 3.037 181 HG2 ARG 26 2HG ARG 26 12.572 9.881 1.340 182 HG3 ARG 26 3HG ARG 26 12.352 11.201 2.513 183 HD2 ARG 26 2HD ARG 26 14.304 11.564 1.055 184 HD3 ARG 26 3HD ARG 26 14.759 11.423 2.767 185 HE ARG 26 HE ARG 26 15.656 9.247 2.328 186 HH11 ARG 26 2HH1 ARG 26 14.582 10.968 -0.542 187 HH12 ARG 26 1HH1 ARG 26 15.567 10.019 -1.632 188 HH21 ARG 26 2HH2 ARG 26 16.954 8.029 0.910 189 HH22 ARG 26 1HH2 ARG 26 16.913 8.351 -0.808 190 H ILE 27 HN ILE 27 10.158 6.844 3.903 191 HA ILE 27 HA ILE 27 9.999 4.966 5.164 192 HB ILE 27 HB ILE 27 12.821 5.611 6.109 193 HG12 ILE 27 2HG1 ILE 27 11.817 3.733 3.945 194 HG13 ILE 27 3HG1 ILE 27 12.612 5.302 3.671 195 HG21 ILE 27 1HG2 ILE 27 12.916 3.237 6.761 196 HG22 ILE 27 2HG2 ILE 27 11.636 4.099 7.647 197 HG23 ILE 27 3HG2 ILE 27 11.215 3.035 6.282 198 HD11 ILE 27 3HD1 ILE 27 13.859 2.885 5.007 199 HD12 ILE 27 1HD1 ILE 27 14.187 3.436 3.351 200 HD13 ILE 27 2HD1 ILE 27 14.653 4.454 4.730 201 H THR 28 HN THR 28 8.405 5.331 6.567 202 HA THR 28 HA THR 28 8.829 7.115 8.847 203 HB THR 28 HB THR 28 6.412 6.486 9.350 204 HG1 THR 28 1HG THR 28 5.325 5.421 7.609 205 HG21 THR 28 3HG2 THR 28 7.014 7.590 6.584 206 HG22 THR 28 1HG2 THR 28 5.495 7.813 7.484 207 HG23 THR 28 2HG2 THR 28 7.006 8.521 8.101 208 H GLY 29 HN GLY 29 7.690 6.224 10.988 209 HA2 GLY 29 1HA GLY 29 9.008 3.607 11.527 210 HA3 GLY 29 2HA GLY 29 8.706 4.876 12.736 211 H GLU 30 HN GLU 30 6.025 5.216 11.209 212 HA GLU 30 HA GLU 30 4.639 2.915 12.495 213 HB2 GLU 30 2HB GLU 30 2.767 4.477 12.944 214 HB3 GLU 30 3HB GLU 30 4.260 4.915 13.810 215 HG2 GLU 30 2HG GLU 30 3.519 6.203 11.184 216 HG3 GLU 30 3HG GLU 30 2.865 6.792 12.727 217 HE2 GLU 30 2HE GLU 30 5.871 8.276 13.598 218 HA PRO 31 HA PRO 31 2.698 2.640 8.477 219 HB2 PRO 31 2HB PRO 31 0.979 0.583 9.013 220 HB3 PRO 31 3HB PRO 31 2.756 0.358 8.910 221 HG2 PRO 31 2HG PRO 31 1.022 0.506 11.303 222 HG3 PRO 31 3HG PRO 31 2.483 -0.497 11.019 223 HD2 PRO 31 2HD PRO 31 2.326 1.935 12.463 224 HD3 PRO 31 3HD PRO 31 3.822 1.160 11.859 225 H SER 32 HN SER 32 1.692 4.679 8.473 226 HA SER 32 HA SER 32 -1.077 4.699 9.575 227 HB2 SER 32 2HB SER 32 -0.630 7.271 9.589 228 HB3 SER 32 3HB SER 32 0.050 6.262 10.889 229 HG SER 32 HG SER 32 1.592 7.715 9.992 230 H LYS 33 HN LYS 33 -2.565 6.197 8.439 231 HA LYS 33 HA LYS 33 -3.616 6.956 6.546 232 HB2 LYS 33 2HB LYS 33 -1.281 8.119 6.337 233 HB3 LYS 33 3HB LYS 33 -1.007 6.933 5.040 234 HG2 LYS 33 2HG LYS 33 -1.764 9.014 4.089 235 HG3 LYS 33 3HG LYS 33 -3.026 7.775 3.886 236 HD2 LYS 33 2HD LYS 33 -4.308 8.690 5.710 237 HD3 LYS 33 3HD LYS 33 -2.997 9.820 6.125 238 HE2 LYS 33 2HE LYS 33 -3.275 10.973 3.995 239 HE3 LYS 33 3HE LYS 33 -4.522 9.807 3.501 240 HZ1 LYS 33 3HZ LYS 33 -4.718 11.663 5.776 241 HZ2 LYS 33 1HZ LYS 33 -5.482 11.837 4.326 242 HZ3 LYS 33 2HZ LYS 33 -5.875 10.581 5.318 243 H LYS 34 HN LYS 34 -3.319 6.350 3.826 244 HA LYS 34 HA LYS 34 -3.934 3.493 3.912 245 HB2 LYS 34 2HB LYS 34 -4.117 5.611 1.774 246 HB3 LYS 34 3HB LYS 34 -4.356 3.885 1.414 247 HG2 LYS 34 2HG LYS 34 -6.146 3.843 3.157 248 HG3 LYS 34 3HG LYS 34 -5.968 5.607 3.308 249 HD2 LYS 34 2HD LYS 34 -6.651 5.950 1.038 250 HD3 LYS 34 3HD LYS 34 -6.582 4.204 0.695 251 HE2 LYS 34 2HE LYS 34 -8.482 5.571 2.627 252 HE3 LYS 34 3HE LYS 34 -8.896 4.969 1.008 253 HZ1 LYS 34 3HZ LYS 34 -7.957 3.320 3.259 254 HZ2 LYS 34 1HZ LYS 34 -9.511 3.410 2.717 255 HZ3 LYS 34 2HZ LYS 34 -8.341 2.761 1.756 256 H ALA 35 HN ALA 35 -2.183 2.255 4.123 257 HA ALA 35 HA ALA 35 -0.016 2.636 2.113 258 HB1 ALA 35 1HB ALA 35 1.432 1.405 3.678 259 HB2 ALA 35 2HB ALA 35 0.743 2.858 4.439 260 HB3 ALA 35 3HB ALA 35 0.073 1.253 4.816 261 H VAL 36 HN VAL 36 1.170 0.185 2.141 262 HA VAL 36 HA VAL 36 -0.743 -1.363 0.632 263 HB VAL 36 HB VAL 36 1.551 -1.348 -0.108 264 HG11 VAL 36 1HG1 VAL 36 3.389 -2.337 1.189 265 HG12 VAL 36 2HG1 VAL 36 2.661 -0.955 2.036 266 HG13 VAL 36 3HG1 VAL 36 2.277 -2.616 2.548 267 HG21 VAL 36 3HG2 VAL 36 0.262 -3.389 -0.524 268 HG22 VAL 36 1HG2 VAL 36 1.987 -3.761 -0.304 269 HG23 VAL 36 2HG2 VAL 36 0.836 -4.074 1.015 270 H SER 37 HN SER 37 -2.100 -2.802 1.324 271 HA SER 37 HA SER 37 -1.873 -3.735 4.122 272 HB2 SER 37 2HB SER 37 -4.183 -3.989 2.156 273 HB3 SER 37 3HB SER 37 -4.227 -4.300 3.908 274 HG SER 37 HG SER 37 -5.035 -2.219 3.354 275 H ASP 38 HN ASP 38 -1.774 -5.875 4.692 276 HA ASP 38 HA ASP 38 -0.713 -7.681 2.683 277 HB2 ASP 38 2HB ASP 38 -0.490 -9.260 4.524 278 HB3 ASP 38 3HB ASP 38 0.112 -7.659 5.007 279 HD2 ASP 38 2HD ASP 38 -2.788 -9.257 7.073 280 H ARG 39 HN ARG 39 -3.797 -6.728 3.421 281 HA ARG 39 HA ARG 39 -5.267 -9.164 3.411 282 HB2 ARG 39 2HB ARG 39 -5.984 -6.362 2.480 283 HB3 ARG 39 3HB ARG 39 -7.151 -7.693 2.668 284 HG2 ARG 39 2HG ARG 39 -5.409 -6.707 4.932 285 HG3 ARG 39 3HG ARG 39 -7.015 -6.027 4.576 286 HD2 ARG 39 2HD ARG 39 -6.477 -8.965 5.097 287 HD3 ARG 39 3HD ARG 39 -7.018 -7.810 6.334 288 HE ARG 39 HE ARG 39 -8.842 -7.537 4.274 289 HH11 ARG 39 2HH1 ARG 39 -7.647 -10.279 6.128 290 HH12 ARG 39 1HH1 ARG 39 -9.179 -11.121 6.105 291 HH21 ARG 39 2HH2 ARG 39 -10.847 -8.615 4.297 292 HH22 ARG 39 1HH2 ARG 39 -10.992 -10.179 5.068 293 H LEU 40 HN LEU 40 -3.779 -7.262 0.844 294 HA LEU 40 HA LEU 40 -5.214 -8.753 -1.243 295 HB2 LEU 40 2HB LEU 40 -3.018 -6.669 -1.364 296 HB3 LEU 40 3HB LEU 40 -3.829 -7.384 -2.778 297 HG LEU 40 HG LEU 40 -5.165 -5.721 -0.626 298 HD11 LEU 40 1HD1 LEU 40 -5.345 -3.998 -2.375 299 HD12 LEU 40 2HD1 LEU 40 -3.647 -4.399 -2.030 300 HD13 LEU 40 3HD1 LEU 40 -4.433 -5.040 -3.493 301 HD21 LEU 40 3HD2 LEU 40 -6.663 -7.393 -1.617 302 HD22 LEU 40 1HD2 LEU 40 -7.112 -5.750 -2.132 303 HD23 LEU 40 2HD2 LEU 40 -6.231 -6.821 -3.247 304 H ILE 41 HN ILE 41 -2.500 -9.178 0.713 305 HA ILE 41 HA ILE 41 -0.860 -10.518 -1.296 306 HB ILE 41 HB ILE 41 -0.506 -10.480 1.725 307 HG12 ILE 41 2HG1 ILE 41 -0.583 -8.198 0.936 308 HG13 ILE 41 3HG1 ILE 41 1.099 -8.637 1.319 309 HG21 ILE 41 1HG2 ILE 41 1.850 -10.961 1.200 310 HG22 ILE 41 2HG2 ILE 41 0.772 -12.222 0.560 311 HG23 ILE 41 3HG2 ILE 41 1.456 -10.996 -0.534 312 HD11 ILE 41 3HD1 ILE 41 -0.123 -8.522 -1.451 313 HD12 ILE 41 1HD1 ILE 41 0.974 -7.311 -0.752 314 HD13 ILE 41 2HD1 ILE 41 1.560 -8.959 -1.067 315 H GLY 42 HN GLY 42 -0.749 -12.636 -1.703 316 HA2 GLY 42 1HA GLY 42 -1.087 -14.918 -1.300 317 HA3 GLY 42 2HA GLY 42 -2.056 -14.517 0.136 318 H ARG 43 HN ARG 43 -2.995 -12.542 -2.396 319 HA ARG 43 HA ARG 43 -5.313 -14.297 -2.959 320 HB2 ARG 43 2HB ARG 43 -4.835 -11.333 -3.339 321 HB3 ARG 43 3HB ARG 43 -6.239 -12.186 -4.025 322 HG2 ARG 43 2HG ARG 43 -6.855 -12.895 -1.713 323 HG3 ARG 43 3HG ARG 43 -5.540 -11.863 -1.099 324 HD2 ARG 43 2HD ARG 43 -7.770 -10.755 -1.045 325 HD3 ARG 43 3HD ARG 43 -6.578 -9.890 -2.038 326 HE ARG 43 HE ARG 43 -7.951 -11.613 -3.764 327 HH11 ARG 43 2HH1 ARG 43 -8.755 -8.912 -1.645 328 HH12 ARG 43 1HH1 ARG 43 -10.073 -8.355 -2.653 329 HH21 ARG 43 2HH2 ARG 43 -9.644 -10.875 -5.080 330 HH22 ARG 43 1HH2 ARG 43 -10.578 -9.471 -4.606 331 H LYS 44 HN LYS 44 -6.176 -14.250 -5.200 332 HA LYS 44 HA LYS 44 -3.928 -14.595 -7.080 333 HB2 LYS 44 2HB LYS 44 -5.644 -16.392 -6.758 334 HB3 LYS 44 3HB LYS 44 -6.863 -15.281 -7.424 335 HG2 LYS 44 2HG LYS 44 -5.538 -15.156 -9.519 336 HG3 LYS 44 3HG LYS 44 -4.422 -16.367 -8.846 337 HD2 LYS 44 2HD LYS 44 -6.009 -17.449 -10.322 338 HD3 LYS 44 3HD LYS 44 -6.312 -17.954 -8.642 339 HE2 LYS 44 2HE LYS 44 -8.208 -16.510 -8.462 340 HE3 LYS 44 3HE LYS 44 -7.823 -15.709 -10.000 341 HZ1 LYS 44 3HZ LYS 44 -8.637 -18.523 -9.692 342 HZ2 LYS 44 1HZ LYS 44 -9.594 -17.301 -10.248 343 HZ3 LYS 44 2HZ LYS 44 -8.279 -17.777 -11.120 344 H GLY 45 HN GLY 45 -3.755 -13.515 -9.004 345 HA2 GLY 45 1HA GLY 45 -5.805 -11.454 -9.588 346 HA3 GLY 45 2HA GLY 45 -4.086 -11.004 -9.505 347 H VAL 46 HN VAL 46 -4.799 -10.327 -11.794 348 HA VAL 46 HA VAL 46 -4.212 -12.620 -13.599 349 HB VAL 46 HB VAL 46 -6.603 -11.983 -13.745 350 HG11 VAL 46 1HG1 VAL 46 -7.264 -9.809 -14.685 351 HG12 VAL 46 2HG1 VAL 46 -6.410 -9.620 -13.137 352 HG13 VAL 46 3HG1 VAL 46 -5.564 -9.288 -14.667 353 HG21 VAL 46 3HG2 VAL 46 -5.464 -12.892 -15.711 354 HG22 VAL 46 1HG2 VAL 46 -6.712 -11.718 -16.188 355 HG23 VAL 46 2HG2 VAL 46 -4.996 -11.249 -16.210 356 H VAL 47 HN VAL 47 -2.864 -12.201 -15.351 357 HA VAL 47 HA VAL 47 -1.186 -9.818 -15.008 358 HB VAL 47 HB VAL 47 -0.924 -12.077 -17.024 359 HG11 VAL 47 1HG1 VAL 47 1.422 -11.357 -17.166 360 HG12 VAL 47 2HG1 VAL 47 0.307 -10.046 -17.616 361 HG13 VAL 47 3HG1 VAL 47 1.085 -10.043 -16.015 362 HG21 VAL 47 3HG2 VAL 47 -0.890 -12.955 -14.741 363 HG22 VAL 47 1HG2 VAL 47 0.722 -13.056 -15.487 364 HG23 VAL 47 2HG2 VAL 47 0.371 -11.779 -14.300 365 H MET 48 HN MET 48 -1.582 -7.989 -16.045 366 HA MET 48 HA MET 48 -3.181 -8.089 -18.544 367 HB2 MET 48 2HB MET 48 -2.420 -5.751 -16.765 368 HB3 MET 48 3HB MET 48 -3.483 -5.680 -18.191 369 HG2 MET 48 2HG MET 48 -4.132 -7.475 -15.868 370 HG3 MET 48 3HG MET 48 -4.519 -5.747 -15.813 371 HE1 MET 48 3HE MET 48 -5.332 -9.230 -17.465 372 HE2 MET 48 1HE MET 48 -6.401 -8.779 -18.811 373 HE3 MET 48 2HE MET 48 -4.680 -8.343 -18.864 374 H GLU 49 HN GLU 49 -0.083 -7.080 -17.176 375 HA GLU 49 HA GLU 49 0.855 -6.607 -19.968 376 HB2 GLU 49 2HB GLU 49 0.819 -4.539 -18.623 377 HB3 GLU 49 3HB GLU 49 1.855 -5.322 -17.407 378 HG2 GLU 49 2HG GLU 49 3.170 -3.866 -18.824 379 HG3 GLU 49 3HG GLU 49 3.629 -5.562 -19.087 380 HE2 GLU 49 2HE GLU 49 2.310 -3.482 -22.117 381 H ALA 50 HN ALA 50 2.701 -7.630 -20.603 382 HA ALA 50 HA ALA 50 3.285 -10.104 -19.433 383 HB1 ALA 50 1HB ALA 50 5.216 -10.165 -20.960 384 HB2 ALA 50 2HB ALA 50 3.765 -9.535 -21.773 385 HB3 ALA 50 3HB ALA 50 5.045 -8.417 -21.243 386 H ILE 51 HN ILE 51 4.575 -10.821 -17.875 387 HA ILE 51 HA ILE 51 6.137 -8.773 -16.405 388 HB ILE 51 HB ILE 51 5.073 -11.483 -15.503 389 HG12 ILE 51 2HG1 ILE 51 4.219 -8.701 -14.663 390 HG13 ILE 51 3HG1 ILE 51 3.391 -9.659 -15.914 391 HG21 ILE 51 1HG2 ILE 51 5.784 -10.792 -13.249 392 HG22 ILE 51 2HG2 ILE 51 7.167 -10.886 -14.365 393 HG23 ILE 51 3HG2 ILE 51 6.483 -9.303 -13.926 394 HD11 ILE 51 3HD1 ILE 51 3.733 -10.445 -13.006 395 HD12 ILE 51 1HD1 ILE 51 2.237 -9.837 -13.746 396 HD13 ILE 51 2HD1 ILE 51 2.904 -11.402 -14.258 397 H SER 52 HN SER 52 8.266 -8.783 -16.643 398 HA SER 52 HA SER 52 9.615 -11.415 -16.797 399 HB2 SER 52 2HB SER 52 11.268 -10.338 -18.412 400 HB3 SER 52 3HB SER 52 9.665 -10.738 -19.077 401 HG SER 52 HG SER 52 10.374 -8.630 -19.670 402 HA PRO 53 HA PRO 53 12.474 -9.731 -13.823 403 HB2 PRO 53 2HB PRO 53 14.708 -10.867 -15.468 404 HB3 PRO 53 3HB PRO 53 14.197 -11.231 -13.789 405 HG2 PRO 53 2HG PRO 53 13.793 -12.923 -15.829 406 HG3 PRO 53 3HG PRO 53 12.705 -12.838 -14.404 407 HD2 PRO 53 2HD PRO 53 12.354 -11.809 -17.209 408 HD3 PRO 53 3HD PRO 53 11.134 -12.421 -16.051 409 H GLN 54 HN GLN 54 13.025 -9.311 -17.296 410 HA GLN 54 HA GLN 54 14.954 -7.188 -17.004 411 HB2 GLN 54 2HB GLN 54 13.169 -7.924 -19.343 412 HB3 GLN 54 3HB GLN 54 14.530 -6.778 -19.398 413 HG2 GLN 54 2HG GLN 54 15.969 -8.740 -18.584 414 HG3 GLN 54 3HG GLN 54 14.587 -9.769 -19.023 415 HE21 GLN 54 1HE2 GLN 54 14.018 -10.024 -21.218 416 HE22 GLN 54 2HE2 GLN 54 15.104 -9.554 -22.511 417 H ASN 55 HN ASN 55 11.458 -7.258 -17.838 418 HA ASN 55 HA ASN 55 11.300 -4.506 -16.729 419 HB2 ASN 55 2HB ASN 55 11.384 -4.399 -19.220 420 HB3 ASN 55 3HB ASN 55 9.929 -5.417 -19.281 421 HD21 ASN 55 1HD2 ASN 55 8.774 -3.770 -20.377 422 HD22 ASN 55 2HD2 ASN 55 8.193 -2.350 -19.532 423 H SER 56 HN SER 56 9.653 -4.208 -15.361 424 HA SER 56 HA SER 56 8.231 -6.542 -14.478 425 HB2 SER 56 2HB SER 56 7.647 -3.664 -13.725 426 HB3 SER 56 3HB SER 56 7.379 -5.132 -12.757 427 HG SER 56 HG SER 56 9.276 -3.991 -12.132 428 H GLY 57 HN GLY 57 5.951 -6.821 -14.316 429 HA2 GLY 57 1HA GLY 57 4.564 -5.615 -16.654 430 HA3 GLY 57 2HA GLY 57 4.198 -7.200 -15.938 431 H LEU 58 HN LEU 58 1.981 -6.349 -15.972 432 HA LEU 58 HA LEU 58 1.468 -4.759 -13.512 433 HB2 LEU 58 2HB LEU 58 0.179 -4.471 -16.235 434 HB3 LEU 58 3HB LEU 58 -0.529 -3.814 -14.740 435 HG LEU 58 HG LEU 58 2.160 -3.054 -15.900 436 HD11 LEU 58 1HD1 LEU 58 1.072 -0.914 -16.447 437 HD12 LEU 58 2HD1 LEU 58 0.288 -2.277 -17.281 438 HD13 LEU 58 3HD1 LEU 58 -0.476 -1.551 -15.846 439 HD21 LEU 58 3HD2 LEU 58 2.076 -2.870 -13.453 440 HD22 LEU 58 1HD2 LEU 58 2.120 -1.262 -14.211 441 HD23 LEU 58 2HD2 LEU 58 0.588 -1.900 -13.573 442 H VAL 59 HN VAL 59 0.249 -5.817 -12.117 443 HA VAL 59 HA VAL 59 -1.470 -7.992 -13.174 444 HB VAL 59 HB VAL 59 -1.542 -8.789 -10.776 445 HG11 VAL 59 1HG1 VAL 59 0.670 -9.856 -10.880 446 HG12 VAL 59 2HG1 VAL 59 -0.121 -9.840 -12.472 447 HG13 VAL 59 3HG1 VAL 59 1.179 -8.679 -12.113 448 HG21 VAL 59 3HG2 VAL 59 -0.878 -6.695 -9.688 449 HG22 VAL 59 1HG2 VAL 59 0.227 -8.018 -9.249 450 HG23 VAL 59 2HG2 VAL 59 0.729 -6.801 -10.447 451 H LYS 60 HN LYS 60 -3.600 -8.086 -12.732 452 HA LYS 60 HA LYS 60 -4.762 -5.635 -11.502 453 HB2 LYS 60 2HB LYS 60 -5.177 -6.170 -13.944 454 HB3 LYS 60 3HB LYS 60 -6.079 -7.600 -13.389 455 HG2 LYS 60 2HG LYS 60 -7.734 -6.247 -12.337 456 HG3 LYS 60 3HG LYS 60 -6.769 -4.771 -12.577 457 HD2 LYS 60 2HD LYS 60 -6.947 -5.099 -15.037 458 HD3 LYS 60 3HD LYS 60 -7.993 -6.508 -14.748 459 HE2 LYS 60 2HE LYS 60 -9.683 -5.130 -13.738 460 HE3 LYS 60 3HE LYS 60 -8.614 -3.711 -13.764 461 HZ1 LYS 60 3HZ LYS 60 -9.659 -5.112 -16.134 462 HZ2 LYS 60 1HZ LYS 60 -10.198 -3.664 -15.560 463 HZ3 LYS 60 2HZ LYS 60 -8.667 -3.795 -16.159 464 H VAL 61 HN VAL 61 -5.208 -6.035 -9.435 465 HA VAL 61 HA VAL 61 -6.349 -8.703 -8.774 466 HB VAL 61 HB VAL 61 -4.725 -6.872 -6.964 467 HG11 VAL 61 1HG1 VAL 61 -4.714 -8.786 -5.416 468 HG12 VAL 61 2HG1 VAL 61 -6.370 -8.235 -5.760 469 HG13 VAL 61 3HG1 VAL 61 -5.739 -9.702 -6.545 470 HG21 VAL 61 3HG2 VAL 61 -3.336 -7.841 -8.736 471 HG22 VAL 61 1HG2 VAL 61 -2.942 -8.556 -7.155 472 HG23 VAL 61 2HG2 VAL 61 -3.929 -9.468 -8.319 473 H ASP 62 HN ASP 62 -8.480 -8.435 -8.648 474 HA ASP 62 HA ASP 62 -10.487 -7.876 -7.712 475 HB2 ASP 62 2HB ASP 62 -9.027 -8.011 -5.600 476 HB3 ASP 62 3HB ASP 62 -9.006 -6.234 -5.645 477 HD2 ASP 62 2HD ASP 62 -12.125 -6.078 -4.226 478 H GLY 63 HN GLY 63 -8.691 -5.916 -9.445 479 HA2 GLY 63 1HA GLY 63 -9.974 -4.196 -10.680 480 HA3 GLY 63 2HA GLY 63 -10.543 -3.601 -9.104 481 H GLU 64 HN GLU 64 -7.744 -4.193 -8.017 482 HA GLU 64 HA GLU 64 -6.667 -1.553 -8.715 483 HB2 GLU 64 2HB GLU 64 -5.733 -3.652 -6.730 484 HB3 GLU 64 3HB GLU 64 -5.034 -2.025 -6.920 485 HG2 GLU 64 2HG GLU 64 -7.857 -2.681 -6.046 486 HG3 GLU 64 3HG GLU 64 -6.531 -2.122 -5.004 487 HE2 GLU 64 2HE GLU 64 -8.519 0.526 -7.148 488 H THR 65 HN THR 65 -4.665 -1.180 -9.652 489 HA THR 65 HA THR 65 -3.477 -3.572 -10.968 490 HB THR 65 HB THR 65 -3.333 -0.700 -11.951 491 HG1 THR 65 1HG THR 65 -4.963 -1.402 -13.439 492 HG21 THR 65 3HG2 THR 65 -2.786 -3.363 -13.310 493 HG22 THR 65 1HG2 THR 65 -2.673 -1.763 -14.078 494 HG23 THR 65 2HG2 THR 65 -1.557 -2.198 -12.763 495 H TRP 66 HN TRP 66 -1.505 -4.097 -10.368 496 HA TRP 66 HA TRP 66 0.207 -1.998 -9.118 497 HB2 TRP 66 2HB TRP 66 -0.062 -4.920 -8.321 498 HB3 TRP 66 3HB TRP 66 1.107 -3.778 -7.643 499 HD1 TRP 66 1HD TRP 66 -2.694 -4.520 -7.639 500 HE1 TRP 66 1HE TRP 66 -3.756 -3.428 -5.583 501 HE3 TRP 66 3HE TRP 66 1.396 -1.945 -5.981 502 HZ2 TRP 66 2HZ TRP 66 -2.924 -1.684 -3.501 503 HZ3 TRP 66 3HZ TRP 66 1.189 -0.583 -3.939 504 HH2 TRP 66 2HH TRP 66 -0.943 -0.454 -2.717 505 H ARG 67 HN ARG 67 2.565 -2.559 -9.193 506 HA ARG 67 HA ARG 67 3.259 -3.709 -11.787 507 HB2 ARG 67 2HB ARG 67 5.027 -2.743 -9.514 508 HB3 ARG 67 3HB ARG 67 5.582 -3.218 -11.138 509 HG2 ARG 67 2HG ARG 67 5.567 -0.885 -11.180 510 HG3 ARG 67 3HG ARG 67 4.061 -1.350 -12.008 511 HD2 ARG 67 2HD ARG 67 2.751 -0.866 -10.072 512 HD3 ARG 67 3HD ARG 67 4.201 -0.677 -9.062 513 HE ARG 67 HE ARG 67 4.160 1.178 -11.270 514 HH11 ARG 67 2HH1 ARG 67 2.903 0.543 -8.045 515 HH12 ARG 67 1HH1 ARG 67 2.638 2.231 -7.674 516 HH21 ARG 67 2HH2 ARG 67 3.808 3.387 -10.777 517 HH22 ARG 67 1HH2 ARG 67 3.152 3.843 -9.222 518 H ALA 68 HN ALA 68 4.726 -5.545 -12.013 519 HA ALA 68 HA ALA 68 4.758 -7.319 -9.654 520 HB1 ALA 68 1HB ALA 68 3.805 -9.187 -10.939 521 HB2 ALA 68 2HB ALA 68 2.667 -7.825 -10.827 522 HB3 ALA 68 3HB ALA 68 3.573 -8.107 -12.332 523 H THR 69 HN THR 69 6.369 -8.723 -9.535 524 HA THR 69 HA THR 69 8.100 -9.128 -11.908 525 HB THR 69 HB THR 69 10.055 -9.178 -10.239 526 HG1 THR 69 1HG THR 69 9.697 -7.878 -8.362 527 HG21 THR 69 3HG2 THR 69 8.690 -6.515 -10.758 528 HG22 THR 69 1HG2 THR 69 10.406 -6.739 -10.351 529 HG23 THR 69 2HG2 THR 69 9.767 -7.375 -11.884 530 H SER 70 HN SER 70 9.373 -11.128 -11.767 531 HA SER 70 HA SER 70 8.785 -13.023 -9.659 532 HB2 SER 70 2HB SER 70 6.679 -13.065 -11.048 533 HB3 SER 70 3HB SER 70 7.667 -13.613 -12.424 534 HG SER 70 HG SER 70 6.704 -15.354 -11.272 535 H GLY 71 HN GLY 71 9.922 -15.072 -9.992 536 HA2 GLY 71 1HA GLY 71 12.391 -14.694 -11.482 537 HA3 GLY 71 2HA GLY 71 11.926 -16.110 -10.511 538 H THR 72 HN THR 72 9.287 -15.725 -12.262 539 HA THR 72 HA THR 72 10.322 -17.300 -14.575 540 HB THR 72 HB THR 72 7.458 -17.389 -13.598 541 HG1 THR 72 1HG THR 72 8.104 -19.211 -12.323 542 HG21 THR 72 3HG2 THR 72 9.234 -19.414 -15.004 543 HG22 THR 72 1HG2 THR 72 7.519 -19.645 -14.598 544 HG23 THR 72 2HG2 THR 72 7.991 -18.403 -15.778 545 H VAL 73 HN VAL 73 8.784 -17.108 -16.522 546 HA VAL 73 HA VAL 73 8.168 -14.242 -16.873 547 HB VAL 73 HB VAL 73 9.608 -15.271 -18.567 548 HG11 VAL 73 1HG1 VAL 73 8.769 -17.004 -20.093 549 HG12 VAL 73 2HG1 VAL 73 8.809 -17.577 -18.410 550 HG13 VAL 73 3HG1 VAL 73 7.263 -17.099 -19.153 551 HG21 VAL 73 3HG2 VAL 73 8.121 -13.445 -19.240 552 HG22 VAL 73 1HG2 VAL 73 8.365 -14.589 -20.578 553 HG23 VAL 73 2HG2 VAL 73 6.849 -14.621 -19.649 554 H LEU 74 HN LEU 74 6.147 -13.465 -17.100 555 HA LEU 74 HA LEU 74 3.951 -15.484 -17.156 556 HB2 LEU 74 2HB LEU 74 4.036 -12.869 -15.626 557 HB3 LEU 74 3HB LEU 74 2.681 -14.023 -15.671 558 HG LEU 74 HG LEU 74 5.432 -14.682 -14.588 559 HD11 LEU 74 1HD1 LEU 74 4.443 -14.437 -12.351 560 HD12 LEU 74 2HD1 LEU 74 4.408 -12.903 -13.250 561 HD13 LEU 74 3HD1 LEU 74 2.924 -13.874 -13.086 562 HD21 LEU 74 3HD2 LEU 74 4.104 -16.605 -15.341 563 HD22 LEU 74 1HD2 LEU 74 4.266 -16.597 -13.570 564 HD23 LEU 74 2HD2 LEU 74 2.744 -16.070 -14.325 565 H ASP 75 HN ASP 75 2.481 -15.222 -18.708 566 HA ASP 75 HA ASP 75 2.809 -12.837 -20.434 567 HB2 ASP 75 2HB ASP 75 2.863 -15.384 -21.172 568 HB3 ASP 75 3HB ASP 75 1.097 -15.193 -21.161 569 HD2 ASP 75 2HD ASP 75 3.110 -13.737 -24.169 570 H VAL 76 HN VAL 76 0.581 -12.448 -21.675 571 HA VAL 76 HA VAL 76 -1.057 -11.254 -19.601 572 HB VAL 76 HB VAL 76 -1.456 -11.270 -22.617 573 HG11 VAL 76 1HG1 VAL 76 -2.793 -9.241 -22.228 574 HG12 VAL 76 2HG1 VAL 76 -3.467 -10.643 -21.366 575 HG13 VAL 76 3HG1 VAL 76 -2.538 -9.412 -20.476 576 HG21 VAL 76 3HG2 VAL 76 0.744 -10.371 -22.015 577 HG22 VAL 76 1HG2 VAL 76 -0.329 -9.082 -22.606 578 HG23 VAL 76 2HG2 VAL 76 -0.021 -9.252 -20.862 579 H GLY 77 HN GLY 77 -3.056 -11.811 -18.924 580 HA2 GLY 77 1HA GLY 77 -5.179 -12.823 -19.167 581 HA3 GLY 77 2HA GLY 77 -4.526 -13.873 -20.445 582 H GLU 78 HN GLU 78 -2.163 -14.051 -18.268 583 HA GLU 78 HA GLU 78 -3.107 -16.591 -17.242 584 HB2 GLU 78 2HB GLU 78 -0.588 -14.970 -16.844 585 HB3 GLU 78 3HB GLU 78 -0.874 -16.550 -16.075 586 HG2 GLU 78 2HG GLU 78 -0.726 -15.963 -19.032 587 HG3 GLU 78 3HG GLU 78 0.482 -16.815 -18.047 588 HE2 GLU 78 2HE GLU 78 -1.400 -19.746 -18.058 589 H GLU 79 HN GLU 79 -2.681 -17.111 -14.915 590 HA GLU 79 HA GLU 79 -3.794 -14.919 -13.237 591 HB2 GLU 79 2HB GLU 79 -4.101 -17.914 -12.891 592 HB3 GLU 79 3HB GLU 79 -4.765 -16.660 -11.817 593 HG2 GLU 79 2HG GLU 79 -5.918 -15.817 -14.020 594 HG3 GLU 79 3HG GLU 79 -5.627 -17.484 -14.564 595 HE2 GLU 79 2HE GLU 79 -8.585 -16.812 -12.120 596 H VAL 80 HN VAL 80 -2.759 -14.378 -11.391 597 HA VAL 80 HA VAL 80 -0.348 -15.989 -10.739 598 HB VAL 80 HB VAL 80 0.777 -13.838 -10.110 599 HG11 VAL 80 1HG1 VAL 80 1.341 -13.206 -12.416 600 HG12 VAL 80 2HG1 VAL 80 1.251 -14.972 -12.228 601 HG13 VAL 80 3HG1 VAL 80 -0.085 -14.091 -13.007 602 HG21 VAL 80 3HG2 VAL 80 -1.227 -12.452 -9.840 603 HG22 VAL 80 1HG2 VAL 80 -0.108 -11.730 -11.019 604 HG23 VAL 80 2HG2 VAL 80 -1.562 -12.586 -11.583 605 H SER 81 HN SER 81 0.351 -15.978 -8.596 606 HA SER 81 HA SER 81 -1.715 -15.098 -6.638 607 HB2 SER 81 2HB SER 81 -1.293 -17.532 -6.681 608 HB3 SER 81 3HB SER 81 0.439 -17.237 -6.399 609 HG SER 81 HG SER 81 -0.703 -17.742 -4.470 610 H VAL 82 HN VAL 82 -1.193 -13.421 -5.360 611 HA VAL 82 HA VAL 82 1.405 -12.195 -5.583 612 HB VAL 82 HB VAL 82 -0.767 -11.621 -3.531 613 HG11 VAL 82 1HG1 VAL 82 0.277 -9.397 -3.417 614 HG12 VAL 82 2HG1 VAL 82 1.428 -10.680 -2.976 615 HG13 VAL 82 3HG1 VAL 82 1.514 -9.919 -4.583 616 HG21 VAL 82 3HG2 VAL 82 -1.664 -11.483 -5.808 617 HG22 VAL 82 1HG2 VAL 82 -1.535 -9.867 -5.075 618 HG23 VAL 82 2HG2 VAL 82 -0.333 -10.398 -6.274 619 H LYS 83 HN LYS 83 3.148 -13.131 -4.734 620 HA LYS 83 HA LYS 83 2.814 -14.827 -2.345 621 HB2 LYS 83 2HB LYS 83 4.001 -15.554 -4.475 622 HB3 LYS 83 3HB LYS 83 5.295 -14.414 -4.032 623 HG2 LYS 83 2HG LYS 83 5.909 -16.639 -3.348 624 HG3 LYS 83 3HG LYS 83 5.593 -15.645 -1.905 625 HD2 LYS 83 2HD LYS 83 3.338 -16.568 -1.753 626 HD3 LYS 83 3HD LYS 83 3.637 -17.550 -3.208 627 HE2 LYS 83 2HE LYS 83 5.428 -18.746 -2.046 628 HE3 LYS 83 3HE LYS 83 5.168 -17.750 -0.598 629 HZ1 LYS 83 3HZ LYS 83 3.196 -19.579 -1.796 630 HZ2 LYS 83 1HZ LYS 83 4.068 -19.869 -0.428 631 HZ3 LYS 83 2HZ LYS 83 2.955 -18.653 -0.452 632 H ALA 84 HN ALA 84 4.730 -12.017 -3.483 633 HA ALA 84 HA ALA 84 5.141 -11.229 -0.682 634 HB1 ALA 84 1HB ALA 84 7.587 -11.080 -0.915 635 HB2 ALA 84 2HB ALA 84 7.017 -12.754 -1.109 636 HB3 ALA 84 3HB ALA 84 7.475 -11.797 -2.539 637 H ILE 85 HN ILE 85 6.822 -9.207 -0.807 638 HA ILE 85 HA ILE 85 5.810 -7.455 -2.996 639 HB ILE 85 HB ILE 85 6.203 -6.587 -0.103 640 HG12 ILE 85 2HG1 ILE 85 3.604 -7.171 -1.556 641 HG13 ILE 85 3HG1 ILE 85 4.341 -8.204 -0.308 642 HG21 ILE 85 1HG2 ILE 85 4.996 -4.557 -0.825 643 HG22 ILE 85 2HG2 ILE 85 6.472 -4.806 -1.785 644 HG23 ILE 85 3HG2 ILE 85 4.882 -5.211 -2.475 645 HD11 ILE 85 3HD1 ILE 85 3.379 -5.356 0.079 646 HD12 ILE 85 1HD1 ILE 85 2.536 -6.819 0.632 647 HD13 ILE 85 2HD1 ILE 85 4.114 -6.390 1.327 648 H GLU 86 HN GLU 86 7.274 -5.996 -3.839 649 HA GLU 86 HA GLU 86 9.855 -5.646 -2.428 650 HB2 GLU 86 2HB GLU 86 9.889 -7.479 -4.293 651 HB3 GLU 86 3HB GLU 86 9.832 -6.092 -5.407 652 HG2 GLU 86 2HG GLU 86 11.932 -6.475 -3.258 653 HG3 GLU 86 3HG GLU 86 12.125 -6.980 -4.951 654 HE2 GLU 86 2HE GLU 86 12.747 -3.738 -5.988 655 H GLY 87 HN GLY 87 9.232 -3.556 -1.884 656 HA2 GLY 87 1HA GLY 87 9.112 -1.283 -2.247 657 HA3 GLY 87 2HA GLY 87 9.533 -1.566 -3.951 658 H VAL 88 HN VAL 88 8.045 -0.857 -5.317 659 HA VAL 88 HA VAL 88 5.206 -0.932 -4.453 660 HB VAL 88 HB VAL 88 4.751 0.587 -6.324 661 HG11 VAL 88 1HG1 VAL 88 5.936 2.572 -5.482 662 HG12 VAL 88 2HG1 VAL 88 5.365 1.540 -4.150 663 HG13 VAL 88 3HG1 VAL 88 7.083 1.521 -4.620 664 HG21 VAL 88 3HG2 VAL 88 6.457 -0.215 -7.887 665 HG22 VAL 88 1HG2 VAL 88 6.573 1.547 -7.668 666 HG23 VAL 88 2HG2 VAL 88 7.735 0.473 -6.857 667 H LYS 89 HN LYS 89 7.274 -2.968 -5.755 668 HA LYS 89 HA LYS 89 5.446 -3.918 -7.906 669 HB2 LYS 89 2HB LYS 89 8.273 -4.842 -7.321 670 HB3 LYS 89 3HB LYS 89 7.305 -5.133 -8.786 671 HG2 LYS 89 2HG LYS 89 7.436 -2.769 -9.367 672 HG3 LYS 89 3HG LYS 89 8.350 -2.438 -7.876 673 HD2 LYS 89 2HD LYS 89 9.235 -4.230 -10.163 674 HD3 LYS 89 3HD LYS 89 9.851 -2.598 -9.805 675 HE2 LYS 89 2HE LYS 89 10.061 -5.002 -7.964 676 HE3 LYS 89 3HE LYS 89 11.364 -4.383 -9.001 677 HZ1 LYS 89 3HZ LYS 89 10.075 -2.907 -6.808 678 HZ2 LYS 89 1HZ LYS 89 11.571 -3.596 -6.752 679 HZ3 LYS 89 2HZ LYS 89 11.284 -2.333 -7.771 680 H LEU 90 HN LEU 90 4.508 -5.930 -7.724 681 HA LEU 90 HA LEU 90 4.873 -7.257 -5.110 682 HB2 LEU 90 2HB LEU 90 2.883 -7.787 -7.335 683 HB3 LEU 90 3HB LEU 90 2.897 -8.557 -5.730 684 HG LEU 90 HG LEU 90 2.390 -5.631 -6.320 685 HD11 LEU 90 1HD1 LEU 90 0.108 -6.116 -5.540 686 HD12 LEU 90 2HD1 LEU 90 0.534 -7.097 -6.961 687 HD13 LEU 90 3HD1 LEU 90 0.544 -7.829 -5.338 688 HD21 LEU 90 3HD2 LEU 90 3.566 -5.944 -4.192 689 HD22 LEU 90 1HD2 LEU 90 1.882 -5.439 -3.920 690 HD23 LEU 90 2HD2 LEU 90 2.349 -7.141 -3.688 691 H VAL 91 HN VAL 91 5.453 -9.397 -4.902 692 HA VAL 91 HA VAL 91 6.791 -10.573 -7.273 693 HB VAL 91 HB VAL 91 6.933 -11.417 -4.354 694 HG11 VAL 91 1HG1 VAL 91 8.858 -12.769 -5.074 695 HG12 VAL 91 2HG1 VAL 91 7.372 -13.241 -5.930 696 HG13 VAL 91 3HG1 VAL 91 8.595 -12.244 -6.753 697 HG21 VAL 91 3HG2 VAL 91 7.915 -9.196 -4.684 698 HG22 VAL 91 1HG2 VAL 91 9.175 -10.406 -4.345 699 HG23 VAL 91 2HG2 VAL 91 8.921 -9.831 -6.009 700 H VAL 92 HN VAL 92 5.499 -11.856 -8.437 701 HA VAL 92 HA VAL 92 3.371 -13.311 -6.953 702 HB VAL 92 HB VAL 92 2.046 -13.201 -9.078 703 HG11 VAL 92 1HG1 VAL 92 1.367 -10.850 -8.822 704 HG12 VAL 92 2HG1 VAL 92 1.636 -11.626 -7.245 705 HG13 VAL 92 3HG1 VAL 92 2.859 -10.519 -7.914 706 HG21 VAL 92 3HG2 VAL 92 3.905 -12.860 -10.641 707 HG22 VAL 92 1HG2 VAL 92 2.690 -11.572 -10.805 708 HG23 VAL 92 2HG2 VAL 92 4.210 -11.254 -9.937 709 H GLU 93 HN GLU 93 2.729 -15.349 -7.705 710 HA GLU 93 HA GLU 93 4.740 -16.697 -9.441 711 HB2 GLU 93 2HB GLU 93 3.949 -18.806 -8.237 712 HB3 GLU 93 3HB GLU 93 4.983 -17.685 -7.320 713 HG2 GLU 93 2HG GLU 93 3.095 -16.834 -6.107 714 HG3 GLU 93 3HG GLU 93 1.965 -17.756 -7.124 715 HE2 GLU 93 2HE GLU 93 2.110 -20.185 -4.702 716 H LYS 94 HN LYS 94 3.851 -18.582 -10.640 717 HA LYS 94 HA LYS 94 1.422 -17.734 -11.994 718 HB2 LYS 94 2HB LYS 94 3.532 -18.832 -12.996 719 HB3 LYS 94 3HB LYS 94 2.857 -20.360 -12.381 720 HG2 LYS 94 2HG LYS 94 1.310 -18.528 -14.216 721 HG3 LYS 94 3HG LYS 94 2.416 -19.784 -14.824 722 HD2 LYS 94 2HD LYS 94 1.123 -21.505 -13.657 723 HD3 LYS 94 3HD LYS 94 0.030 -20.258 -13.011 724 HE2 LYS 94 2HE LYS 94 -0.565 -19.634 -15.346 725 HE3 LYS 94 3HE LYS 94 0.445 -20.974 -15.930 726 HZ1 LYS 94 3HZ LYS 94 -1.911 -21.239 -14.184 727 HZ2 LYS 94 1HZ LYS 94 -1.864 -21.596 -15.792 728 HZ3 LYS 94 2HZ LYS 94 -0.974 -22.483 -14.726 729 H LEU 95 HN LEU 95 -0.570 -18.311 -11.512 730 HA LEU 95 HA LEU 95 -0.976 -20.321 -9.400 731 HB2 LEU 95 2HB LEU 95 -2.026 -18.002 -9.463 732 HB3 LEU 95 3HB LEU 95 -3.044 -18.614 -10.790 733 HG LEU 95 HG LEU 95 -4.059 -18.548 -8.470 734 HD11 LEU 95 1HD1 LEU 95 -5.263 -20.670 -8.766 735 HD12 LEU 95 2HD1 LEU 95 -5.053 -19.815 -10.309 736 HD13 LEU 95 3HD1 LEU 95 -4.021 -21.211 -9.917 737 HD21 LEU 95 3HD2 LEU 95 -2.120 -19.390 -7.232 738 HD22 LEU 95 1HD2 LEU 95 -3.542 -20.425 -6.964 739 HD23 LEU 95 2HD2 LEU 95 -2.254 -20.954 -8.071 740 H GLU 96 HN GLU 96 -1.924 -22.240 -9.672 741 HA GLU 96 HA GLU 96 -2.731 -22.929 -12.457 742 HB2 GLU 96 2HB GLU 96 -0.499 -23.871 -11.482 743 HB3 GLU 96 3HB GLU 96 -1.567 -24.936 -10.538 744 HG2 GLU 96 2HG GLU 96 -0.773 -25.986 -12.622 745 HG3 GLU 96 3HG GLU 96 -2.541 -25.825 -12.568 746 HE2 GLU 96 2HE GLU 96 -0.529 -23.691 -15.255 747 H GLU 97 HN GLU 97 -4.667 -23.866 -12.706 748 HA GLU 97 HA GLU 97 -6.374 -24.021 -10.339 749 HB2 GLU 97 2HB GLU 97 -6.800 -23.284 -12.922 750 HB3 GLU 97 3HB GLU 97 -7.380 -24.966 -12.960 751 HG2 GLU 97 2HG GLU 97 -8.304 -22.916 -10.937 752 HG3 GLU 97 3HG GLU 97 -9.126 -23.216 -12.484 753 HE2 GLU 97 2HE GLU 97 -10.636 -26.060 -11.279 754 H GLN 98 HN GLN 98 -6.888 -25.788 -9.247 755 HA GLN 98 HA GLN 98 -5.496 -28.255 -9.877 756 HB2 GLN 98 2HB GLN 98 -7.550 -27.655 -7.723 757 HB3 GLN 98 3HB GLN 98 -6.447 -29.051 -7.779 758 HG2 GLN 98 2HG GLN 98 -4.533 -27.607 -7.493 759 HG3 GLN 98 3HG GLN 98 -5.564 -26.162 -7.589 760 HE21 GLN 98 1HE2 GLN 98 -4.533 -28.879 -5.620 761 HE22 GLN 98 2HE2 GLN 98 -5.218 -28.306 -4.114 762 H LYS 99 HN LYS 99 -8.769 -26.993 -10.090 763 HA LYS 99 HA LYS 99 -10.698 -27.807 -10.974 764 HB2 LYS 99 2HB LYS 99 -9.169 -28.105 -12.951 765 HB3 LYS 99 3HB LYS 99 -8.976 -29.805 -12.461 766 HG2 LYS 99 2HG LYS 99 -11.363 -30.187 -12.762 767 HG3 LYS 99 3HG LYS 99 -11.603 -28.474 -13.179 768 HD2 LYS 99 2HD LYS 99 -9.886 -30.451 -14.717 769 HD3 LYS 99 3HD LYS 99 -11.513 -29.902 -15.185 770 HE2 LYS 99 2HE LYS 99 -9.124 -28.073 -14.815 771 HE3 LYS 99 3HE LYS 99 -9.651 -28.733 -16.378 772 HZ1 LYS 99 3HZ LYS 99 -11.258 -27.006 -14.619 773 HZ2 LYS 99 1HZ LYS 99 -10.511 -26.530 -16.009 774 HZ3 LYS 99 2HZ LYS 99 -11.747 -27.618 -16.070 775 H GLY 100 HN GLY 100 -10.996 -28.519 -8.698 776 HA2 GLY 100 1HA GLY 100 -12.488 -30.620 -8.278 777 HA3 GLY 100 2HA GLY 100 -10.929 -31.467 -8.410 778 H SER 101 HN SER 101 -9.757 -31.725 -6.628 779 HA SER 101 HA SER 101 -10.094 -29.818 -4.393 780 HB2 SER 101 2HB SER 101 -10.459 -32.827 -4.142 781 HB3 SER 101 3HB SER 101 -10.373 -31.680 -2.784 782 HG SER 101 HG SER 101 -12.537 -32.178 -3.392 Start of MODEL 8 1 H1 MET 1 HN MET 1 -41.062 -42.920 40.307 2 HA MET 1 HA MET 1 -41.346 -41.718 42.867 3 HB2 MET 1 2HB MET 1 -41.829 -44.018 43.626 4 HB3 MET 1 3HB MET 1 -40.273 -44.561 42.954 5 HG2 MET 1 2HG MET 1 -39.103 -43.048 44.521 6 HG3 MET 1 3HG MET 1 -40.665 -42.585 45.217 7 HE1 MET 1 3HE MET 1 -39.778 -43.231 47.632 8 HE2 MET 1 1HE MET 1 -39.055 -44.805 48.036 9 HE3 MET 1 2HE MET 1 -38.211 -43.697 46.929 10 H GLY 2 HN GLY 2 -39.544 -40.532 43.298 11 HA2 GLY 2 1HA GLY 2 -36.931 -41.463 42.396 12 HA3 GLY 2 2HA GLY 2 -37.550 -40.043 41.522 13 H SER 3 HN SER 3 -35.185 -40.046 43.092 14 HA SER 3 HA SER 3 -35.802 -38.870 45.673 15 HB2 SER 3 2HB SER 3 -33.216 -38.970 44.075 16 HB3 SER 3 3HB SER 3 -33.367 -38.463 45.774 17 HG SER 3 HG SER 3 -32.767 -40.675 45.556 18 H SER 4 HN SER 4 -36.845 -36.995 45.705 19 HA SER 4 HA SER 4 -36.618 -34.997 43.658 20 HB2 SER 4 2HB SER 4 -37.593 -34.590 46.503 21 HB3 SER 4 3HB SER 4 -38.082 -33.709 45.035 22 HG SER 4 HG SER 4 -39.617 -35.299 45.671 23 H HIS 5 HN HIS 5 -34.794 -33.887 43.299 24 HA HIS 5 HA HIS 5 -33.380 -32.834 45.691 25 HB2 HIS 5 2HB HIS 5 -31.230 -33.126 44.496 26 HB3 HIS 5 3HB HIS 5 -32.039 -34.655 44.880 27 HD1 HIS 5 1HD HIS 5 -33.249 -35.885 42.816 28 HD2 HIS 5 2HD HIS 5 -30.603 -32.800 41.833 29 HE1 HIS 5 1HE HIS 5 -32.693 -36.184 40.363 30 HE2 HIS 5 2HE HIS 5 -31.090 -34.314 39.772 31 H HIS 6 HN HIS 6 -33.697 -30.772 45.749 32 HA HIS 6 HA HIS 6 -32.830 -29.111 43.528 33 HB2 HIS 6 2HB HIS 6 -34.928 -27.815 43.366 34 HB3 HIS 6 3HB HIS 6 -35.099 -29.480 42.781 35 HD1 HIS 6 1HD HIS 6 -36.484 -27.056 45.211 36 HD2 HIS 6 2HD HIS 6 -36.619 -31.180 44.547 37 HE1 HIS 6 1HE HIS 6 -38.440 -27.930 46.568 38 HE2 HIS 6 2HE HIS 6 -38.511 -30.433 46.164 39 H HIS 7 HN HIS 7 -31.776 -27.445 44.364 40 HA HIS 7 HA HIS 7 -32.380 -26.757 47.202 41 HB2 HIS 7 2HB HIS 7 -29.994 -26.231 47.464 42 HB3 HIS 7 3HB HIS 7 -30.253 -27.928 47.016 43 HD1 HIS 7 1HD HIS 7 -29.340 -28.731 44.759 44 HD2 HIS 7 2HD HIS 7 -28.703 -24.665 45.485 45 HE1 HIS 7 1HE HIS 7 -27.699 -27.943 42.991 46 HE2 HIS 7 2HE HIS 7 -27.316 -25.476 43.447 47 H HIS 8 HN HIS 8 -31.483 -24.540 47.803 48 HA HIS 8 HA HIS 8 -32.697 -22.631 45.976 49 HB2 HIS 8 2HB HIS 8 -31.182 -22.201 48.574 50 HB3 HIS 8 3HB HIS 8 -32.105 -20.966 47.699 51 HD1 HIS 8 1HD HIS 8 -32.404 -23.200 50.459 52 HD2 HIS 8 2HD HIS 8 -34.992 -21.900 47.447 53 HE1 HIS 8 1HE HIS 8 -34.752 -23.631 51.308 54 HE2 HIS 8 2HE HIS 8 -36.316 -22.837 49.478 55 H HIS 9 HN HIS 9 -31.672 -20.883 44.957 56 HA HIS 9 HA HIS 9 -28.715 -20.887 45.000 57 HB2 HIS 9 2HB HIS 9 -28.634 -20.633 42.543 58 HB3 HIS 9 3HB HIS 9 -29.235 -22.220 43.059 59 HD1 HIS 9 1HD HIS 9 -30.189 -19.155 41.170 60 HD2 HIS 9 2HD HIS 9 -32.000 -22.668 42.526 61 HE1 HIS 9 1HE HIS 9 -32.402 -19.330 39.942 62 HE2 HIS 9 2HE HIS 9 -33.491 -21.470 40.770 63 H HIS 10 HN HIS 10 -27.789 -18.882 44.768 64 HA HIS 10 HA HIS 10 -29.723 -16.623 44.569 65 HB2 HIS 10 2HB HIS 10 -28.551 -15.466 46.351 66 HB3 HIS 10 3HB HIS 10 -29.119 -17.044 46.926 67 HD1 HIS 10 1HD HIS 10 -26.285 -14.919 47.135 68 HD2 HIS 10 2HD HIS 10 -26.805 -19.039 46.669 69 HE1 HIS 10 1HE HIS 10 -24.099 -15.995 47.845 70 HE2 HIS 10 2HE HIS 10 -24.423 -18.497 47.561 71 H SER 11 HN SER 11 -28.628 -14.501 44.113 72 HA SER 11 HA SER 11 -26.847 -14.902 41.847 73 HB2 SER 11 2HB SER 11 -27.034 -12.332 41.782 74 HB3 SER 11 3HB SER 11 -28.514 -13.279 41.499 75 HG SER 11 HG SER 11 -28.834 -11.550 42.984 76 H SER 12 HN SER 12 -24.788 -15.379 42.294 77 HA SER 12 HA SER 12 -23.430 -13.793 44.419 78 HB2 SER 12 2HB SER 12 -22.384 -16.317 43.108 79 HB3 SER 12 3HB SER 12 -21.933 -15.607 44.677 80 HG SER 12 HG SER 12 -23.336 -17.419 44.891 81 H GLY 13 HN GLY 13 -21.996 -12.271 43.802 82 HA2 GLY 13 1HA GLY 13 -20.072 -12.597 41.798 83 HA3 GLY 13 2HA GLY 13 -21.469 -11.810 41.028 84 H ARG 14 HN ARG 14 -19.428 -10.308 40.817 85 HA ARG 14 HA ARG 14 -19.877 -8.164 42.791 86 HB2 ARG 14 2HB ARG 14 -17.941 -9.269 43.707 87 HB3 ARG 14 3HB ARG 14 -17.161 -9.330 42.107 88 HG2 ARG 14 2HG ARG 14 -17.013 -6.881 42.087 89 HG3 ARG 14 3HG ARG 14 -17.791 -6.821 43.687 90 HD2 ARG 14 2HD ARG 14 -15.934 -7.921 44.718 91 HD3 ARG 14 3HD ARG 14 -15.208 -8.306 43.143 92 HE ARG 14 HE ARG 14 -14.717 -5.950 42.845 93 HH11 ARG 14 2HH1 ARG 14 -15.738 -6.913 46.080 94 HH12 ARG 14 1HH1 ARG 14 -15.036 -5.510 46.852 95 HH21 ARG 14 2HH2 ARG 14 -13.813 -4.129 43.860 96 HH22 ARG 14 1HH2 ARG 14 -13.945 -3.934 45.594 97 H GLU 15 HN GLU 15 -19.670 -6.134 41.941 98 HA GLU 15 HA GLU 15 -19.514 -5.996 39.002 99 HB2 GLU 15 2HB GLU 15 -20.374 -3.710 39.326 100 HB3 GLU 15 3HB GLU 15 -21.395 -4.921 40.137 101 HG2 GLU 15 2HG GLU 15 -20.109 -4.377 42.259 102 HG3 GLU 15 3HG GLU 15 -19.437 -2.986 41.380 103 HE2 GLU 15 2HE GLU 15 -22.343 -1.182 41.785 104 H ASN 16 HN ASN 16 -18.437 -3.956 38.115 105 HA ASN 16 HA ASN 16 -16.023 -3.179 39.646 106 HB2 ASN 16 2HB ASN 16 -15.660 -5.180 37.960 107 HB3 ASN 16 3HB ASN 16 -15.736 -3.896 36.733 108 HD21 ASN 16 1HD2 ASN 16 -13.473 -5.587 37.323 109 HD22 ASN 16 2HD2 ASN 16 -12.174 -4.536 37.849 110 H LEU 17 HN LEU 17 -14.843 -1.397 38.244 111 HA LEU 17 HA LEU 17 -16.977 0.501 37.475 112 HB2 LEU 17 2HB LEU 17 -14.052 0.863 38.177 113 HB3 LEU 17 3HB LEU 17 -15.129 2.183 37.657 114 HG LEU 17 HG LEU 17 -15.453 0.484 40.146 115 HD11 LEU 17 1HD1 LEU 17 -14.901 2.560 41.349 116 HD12 LEU 17 2HD1 LEU 17 -13.572 2.053 40.282 117 HD13 LEU 17 3HD1 LEU 17 -14.642 3.389 39.796 118 HD21 LEU 17 3HD2 LEU 17 -17.608 1.195 39.208 119 HD22 LEU 17 1HD2 LEU 17 -17.257 2.057 40.723 120 HD23 LEU 17 2HD2 LEU 17 -17.037 2.880 39.161 121 H TYR 18 HN TYR 18 -15.190 2.239 35.994 122 HA TYR 18 HA TYR 18 -15.623 0.948 33.411 123 HB2 TYR 18 2HB TYR 18 -14.572 3.704 34.137 124 HB3 TYR 18 3HB TYR 18 -14.950 3.154 32.497 125 HD1 TYR 18 1HD TYR 18 -16.402 4.094 35.764 126 HD2 TYR 18 2HD TYR 18 -17.224 3.067 31.713 127 HE1 TYR 18 1HE TYR 18 -18.708 4.893 36.032 128 HE2 TYR 18 2HE TYR 18 -19.536 3.851 31.983 129 HH TYR 18 HH TYR 18 -21.078 4.782 33.377 130 H PHE 19 HN PHE 19 -14.051 0.829 31.736 131 HA PHE 19 HA PHE 19 -11.231 0.812 32.701 132 HB2 PHE 19 2HB PHE 19 -12.527 -0.764 30.451 133 HB3 PHE 19 3HB PHE 19 -10.792 -0.741 30.805 134 HD1 PHE 19 2HD PHE 19 -9.974 -1.682 32.973 135 HD2 PHE 19 1HD PHE 19 -14.009 -2.140 31.688 136 HE1 PHE 19 2HE PHE 19 -10.278 -3.513 34.579 137 HE2 PHE 19 1HE PHE 19 -14.314 -3.972 33.297 138 HZ PHE 19 HZ PHE 19 -12.445 -4.666 34.738 139 H GLN 20 HN GLN 20 -10.390 2.733 32.172 140 HA GLN 20 HA GLN 20 -11.520 4.298 30.020 141 HB2 GLN 20 2HB GLN 20 -9.840 5.977 30.658 142 HB3 GLN 20 3HB GLN 20 -10.755 5.371 32.059 143 HG2 GLN 20 2HG GLN 20 -8.867 3.915 32.648 144 HG3 GLN 20 3HG GLN 20 -7.953 4.548 31.261 145 HE21 GLN 20 1HE2 GLN 20 -9.195 5.222 34.482 146 HE22 GLN 20 2HE2 GLN 20 -8.279 6.692 34.745 147 H GLY 21 HN GLY 21 -9.154 1.850 30.081 148 HA2 GLY 21 1HA GLY 21 -8.027 0.994 28.242 149 HA3 GLY 21 2HA GLY 21 -8.578 2.382 27.276 150 H HIS 22 HN HIS 22 -7.428 4.054 29.655 151 HA HIS 22 HA HIS 22 -4.911 4.608 28.382 152 HB2 HIS 22 2HB HIS 22 -6.109 6.400 29.420 153 HB3 HIS 22 3HB HIS 22 -6.197 5.533 30.965 154 HD1 HIS 22 1HD HIS 22 -3.654 7.281 28.721 155 HD2 HIS 22 2HD HIS 22 -4.126 6.022 32.676 156 HE1 HIS 22 1HE HIS 22 -1.667 8.196 29.999 157 HE2 HIS 22 2HE HIS 22 -1.958 7.430 32.400 158 H MET 23 HN MET 23 -3.545 2.921 28.384 159 HA MET 23 HA MET 23 -2.047 2.498 30.829 160 HB2 MET 23 2HB MET 23 -3.851 0.877 31.193 161 HB3 MET 23 3HB MET 23 -3.548 0.166 29.590 162 HG2 MET 23 2HG MET 23 -1.301 -0.511 30.321 163 HG3 MET 23 3HG MET 23 -1.610 0.186 31.920 164 HE1 MET 23 3HE MET 23 -4.667 -0.569 32.390 165 HE2 MET 23 1HE MET 23 -4.502 -2.102 33.277 166 HE3 MET 23 2HE MET 23 -3.402 -0.750 33.629 167 H ALA 24 HN ALA 24 -2.656 0.531 27.910 168 HA ALA 24 HA ALA 24 -0.294 1.502 26.551 169 HB1 ALA 24 1HB ALA 24 0.928 -0.637 26.546 170 HB2 ALA 24 2HB ALA 24 0.787 0.022 28.192 171 HB3 ALA 24 3HB ALA 24 -0.264 -1.321 27.678 172 H ALA 25 HN ALA 25 0.132 -0.273 24.665 173 HA ALA 25 HA ALA 25 -0.687 -1.198 22.750 174 HB1 ALA 25 1HB ALA 25 -2.711 -2.600 22.850 175 HB2 ALA 25 2HB ALA 25 -1.632 -2.916 24.229 176 HB3 ALA 25 3HB ALA 25 -3.096 -1.927 24.451 177 H ARG 26 HN ARG 26 -1.303 1.609 23.616 178 HA ARG 26 HA ARG 26 -3.888 2.131 22.328 179 HB2 ARG 26 2HB ARG 26 -2.995 3.314 24.419 180 HB3 ARG 26 3HB ARG 26 -1.893 4.176 23.317 181 HG2 ARG 26 2HG ARG 26 -3.851 5.015 22.060 182 HG3 ARG 26 3HG ARG 26 -4.923 4.208 23.229 183 HD2 ARG 26 2HD ARG 26 -3.734 5.558 25.032 184 HD3 ARG 26 3HD ARG 26 -3.014 6.503 23.711 185 HE ARG 26 HE ARG 26 -5.958 6.238 23.818 186 HH11 ARG 26 2HH1 ARG 26 -3.066 8.243 24.067 187 HH12 ARG 26 1HH1 ARG 26 -3.963 9.742 24.134 188 HH21 ARG 26 2HH2 ARG 26 -7.113 8.186 23.965 189 HH22 ARG 26 1HH2 ARG 26 -6.257 9.709 24.076 190 H ILE 27 HN ILE 27 -3.808 1.863 20.189 191 HA ILE 27 HA ILE 27 -1.488 2.234 18.617 192 HB ILE 27 HB ILE 27 -2.944 2.068 16.658 193 HG12 ILE 27 2HG1 ILE 27 -4.795 3.494 17.569 194 HG13 ILE 27 3HG1 ILE 27 -5.317 2.011 16.733 195 HG21 ILE 27 1HG2 ILE 27 -3.931 -0.133 17.134 196 HG22 ILE 27 2HG2 ILE 27 -2.316 0.030 17.861 197 HG23 ILE 27 3HG2 ILE 27 -3.769 0.175 18.878 198 HD11 ILE 27 3HD1 ILE 27 -5.200 2.415 19.735 199 HD12 ILE 27 1HD1 ILE 27 -6.676 2.425 18.749 200 HD13 ILE 27 2HD1 ILE 27 -5.725 0.934 18.899 201 H THR 28 HN THR 28 -0.720 3.839 17.378 202 HA THR 28 HA THR 28 -2.270 6.363 17.245 203 HB THR 28 HB THR 28 0.713 6.209 17.837 204 HG1 THR 28 1HG THR 28 0.048 6.985 19.913 205 HG21 THR 28 3HG2 THR 28 -1.220 8.552 17.786 206 HG22 THR 28 1HG2 THR 28 0.500 8.635 18.227 207 HG23 THR 28 2HG2 THR 28 0.029 8.203 16.568 208 H GLY 29 HN GLY 29 -2.609 6.786 15.158 209 HA2 GLY 29 1HA GLY 29 -0.861 5.534 13.160 210 HA3 GLY 29 2HA GLY 29 -2.383 6.404 12.862 211 H GLU 30 HN GLU 30 0.439 6.559 11.719 212 HA GLU 30 HA GLU 30 0.946 9.439 12.293 213 HB2 GLU 30 2HB GLU 30 2.797 7.840 12.715 214 HB3 GLU 30 3HB GLU 30 2.726 7.338 11.007 215 HG2 GLU 30 2HG GLU 30 3.456 9.490 10.271 216 HG3 GLU 30 3HG GLU 30 3.303 10.165 11.908 217 HE2 GLU 30 2HE GLU 30 6.360 8.850 12.877 218 HA PRO 31 HA PRO 31 -0.654 10.487 8.291 219 HB2 PRO 31 2HB PRO 31 1.438 12.644 8.257 220 HB3 PRO 31 3HB PRO 31 -0.351 12.751 8.175 221 HG2 PRO 31 2HG PRO 31 1.012 13.440 10.358 222 HG3 PRO 31 3HG PRO 31 -0.633 12.730 10.442 223 HD2 PRO 31 2HD PRO 31 2.070 11.505 10.974 224 HD3 PRO 31 3HD PRO 31 0.497 11.201 11.773 225 H SER 32 HN SER 32 -0.171 9.142 6.678 226 HA SER 32 HA SER 32 2.398 9.521 5.285 227 HB2 SER 32 2HB SER 32 1.395 6.801 6.215 228 HB3 SER 32 3HB SER 32 2.799 7.090 5.159 229 HG SER 32 HG SER 32 3.391 6.819 7.370 230 H LYS 33 HN LYS 33 2.237 7.800 3.273 231 HA LYS 33 HA LYS 33 -0.263 8.610 1.943 232 HB2 LYS 33 2HB LYS 33 2.318 7.363 0.959 233 HB3 LYS 33 3HB LYS 33 0.909 7.669 -0.086 234 HG2 LYS 33 2HG LYS 33 1.062 10.028 0.266 235 HG3 LYS 33 3HG LYS 33 2.279 9.817 1.547 236 HD2 LYS 33 2HD LYS 33 3.880 8.967 -0.087 237 HD3 LYS 33 3HD LYS 33 2.662 9.108 -1.376 238 HE2 LYS 33 2HE LYS 33 2.589 11.508 -1.126 239 HE3 LYS 33 3HE LYS 33 3.640 11.437 0.305 240 HZ1 LYS 33 3HZ LYS 33 4.415 10.670 -2.429 241 HZ2 LYS 33 1HZ LYS 33 4.856 12.059 -1.659 242 HZ3 LYS 33 2HZ LYS 33 5.390 10.604 -1.099 243 H LYS 34 HN LYS 34 -0.543 6.587 0.056 244 HA LYS 34 HA LYS 34 -2.312 4.854 1.310 245 HB2 LYS 34 2HB LYS 34 -2.057 5.313 -1.162 246 HB3 LYS 34 3HB LYS 34 -0.704 4.157 -1.162 247 HG2 LYS 34 2HG LYS 34 -2.214 2.377 -0.415 248 HG3 LYS 34 3HG LYS 34 -3.570 3.530 -0.391 249 HD2 LYS 34 2HD LYS 34 -3.071 3.955 -2.852 250 HD3 LYS 34 3HD LYS 34 -1.994 2.540 -2.779 251 HE2 LYS 34 2HE LYS 34 -4.944 2.521 -2.069 252 HE3 LYS 34 3HE LYS 34 -4.272 2.015 -3.634 253 HZ1 LYS 34 3HZ LYS 34 -3.680 0.771 -1.033 254 HZ2 LYS 34 1HZ LYS 34 -4.669 0.145 -2.192 255 HZ3 LYS 34 2HZ LYS 34 -3.056 0.302 -2.486 256 H ALA 35 HN ALA 35 -1.932 3.528 2.915 257 HA ALA 35 HA ALA 35 0.688 2.329 3.299 258 HB1 ALA 35 1HB ALA 35 -0.309 1.422 5.362 259 HB2 ALA 35 2HB ALA 35 -0.627 3.166 5.201 260 HB3 ALA 35 3HB ALA 35 -1.911 1.989 4.836 261 H VAL 36 HN VAL 36 1.146 0.100 3.420 262 HA VAL 36 HA VAL 36 -0.577 -1.488 1.627 263 HB VAL 36 HB VAL 36 1.762 -1.410 0.990 264 HG11 VAL 36 1HG1 VAL 36 3.553 -2.323 2.407 265 HG12 VAL 36 2HG1 VAL 36 2.756 -0.932 3.176 266 HG13 VAL 36 3HG1 VAL 36 2.379 -2.585 3.717 267 HG21 VAL 36 3HG2 VAL 36 0.539 -3.490 0.576 268 HG22 VAL 36 1HG2 VAL 36 2.259 -3.817 0.892 269 HG23 VAL 36 2HG2 VAL 36 1.049 -4.116 2.162 270 H SER 37 HN SER 37 -1.801 -3.081 2.295 271 HA SER 37 HA SER 37 -1.560 -3.933 5.132 272 HB2 SER 37 2HB SER 37 -3.895 -4.112 3.192 273 HB3 SER 37 3HB SER 37 -3.905 -4.681 4.878 274 HG SER 37 HG SER 37 -4.790 -2.568 4.647 275 H ASP 38 HN ASP 38 -1.576 -6.132 5.668 276 HA ASP 38 HA ASP 38 -0.200 -7.745 3.676 277 HB2 ASP 38 2HB ASP 38 0.106 -9.341 5.487 278 HB3 ASP 38 3HB ASP 38 0.498 -7.700 6.044 279 HD2 ASP 38 2HD ASP 38 -2.396 -7.662 8.099 280 H ARG 39 HN ARG 39 -3.431 -7.168 4.209 281 HA ARG 39 HA ARG 39 -4.420 -9.876 3.954 282 HB2 ARG 39 2HB ARG 39 -5.706 -7.155 3.648 283 HB3 ARG 39 3HB ARG 39 -6.592 -8.676 3.384 284 HG2 ARG 39 2HG ARG 39 -6.080 -9.368 5.686 285 HG3 ARG 39 3HG ARG 39 -5.204 -7.841 5.948 286 HD2 ARG 39 2HD ARG 39 -7.242 -6.567 5.611 287 HD3 ARG 39 3HD ARG 39 -8.138 -8.045 5.198 288 HE ARG 39 HE ARG 39 -7.343 -8.715 7.632 289 HH11 ARG 39 2HH1 ARG 39 -8.553 -5.606 6.498 290 HH12 ARG 39 1HH1 ARG 39 -9.205 -5.153 8.056 291 HH21 ARG 39 2HH2 ARG 39 -8.183 -8.107 9.659 292 HH22 ARG 39 1HH2 ARG 39 -8.995 -6.569 9.847 293 H LEU 40 HN LEU 40 -2.765 -7.945 1.824 294 HA LEU 40 HA LEU 40 -4.211 -8.878 -0.568 295 HB2 LEU 40 2HB LEU 40 -1.704 -7.212 -0.203 296 HB3 LEU 40 3HB LEU 40 -2.420 -7.634 -1.777 297 HG LEU 40 HG LEU 40 -3.737 -5.975 0.389 298 HD11 LEU 40 1HD1 LEU 40 -3.434 -4.097 -1.173 299 HD12 LEU 40 2HD1 LEU 40 -1.873 -4.809 -0.698 300 HD13 LEU 40 3HD1 LEU 40 -2.570 -5.174 -2.296 301 HD21 LEU 40 3HD2 LEU 40 -5.349 -7.269 -0.930 302 HD22 LEU 40 1HD2 LEU 40 -5.465 -5.534 -1.307 303 HD23 LEU 40 2HD2 LEU 40 -4.636 -6.635 -2.433 304 H ILE 41 HN ILE 41 -1.915 -10.060 1.589 305 HA ILE 41 HA ILE 41 -0.290 -11.474 -0.379 306 HB ILE 41 HB ILE 41 -0.414 -11.730 2.652 307 HG12 ILE 41 2HG1 ILE 41 0.324 -9.525 1.928 308 HG13 ILE 41 3HG1 ILE 41 1.679 -10.448 2.622 309 HG21 ILE 41 1HG2 ILE 41 1.733 -12.922 2.448 310 HG22 ILE 41 2HG2 ILE 41 0.432 -13.778 1.590 311 HG23 ILE 41 3HG2 ILE 41 1.621 -12.820 0.676 312 HD11 ILE 41 3HD1 ILE 41 1.137 -10.033 -0.330 313 HD12 ILE 41 1HD1 ILE 41 2.385 -9.200 0.621 314 HD13 ILE 41 2HD1 ILE 41 2.491 -10.955 0.366 315 H GLY 42 HN GLY 42 -0.759 -13.368 -1.270 316 HA2 GLY 42 1HA GLY 42 -1.496 -15.618 -1.179 317 HA3 GLY 42 2HA GLY 42 -2.497 -15.223 0.237 318 H ARG 43 HN ARG 43 -2.827 -12.793 -2.025 319 HA ARG 43 HA ARG 43 -5.438 -13.842 -2.868 320 HB2 ARG 43 2HB ARG 43 -4.047 -11.192 -3.383 321 HB3 ARG 43 3HB ARG 43 -5.703 -11.599 -3.894 322 HG2 ARG 43 2HG ARG 43 -5.039 -11.884 -1.005 323 HG3 ARG 43 3HG ARG 43 -5.175 -10.238 -1.665 324 HD2 ARG 43 2HD ARG 43 -7.310 -10.989 -0.747 325 HD3 ARG 43 3HD ARG 43 -7.422 -10.754 -2.505 326 HE ARG 43 HE ARG 43 -7.362 -13.178 -2.770 327 HH11 ARG 43 2HH1 ARG 43 -7.938 -11.936 0.470 328 HH12 ARG 43 1HH1 ARG 43 -8.722 -13.397 1.026 329 HH21 ARG 43 2HH2 ARG 43 -8.403 -15.071 -2.040 330 HH22 ARG 43 1HH2 ARG 43 -8.986 -15.171 -0.394 331 H LYS 44 HN LYS 44 -6.084 -13.831 -5.105 332 HA LYS 44 HA LYS 44 -3.868 -14.647 -6.875 333 HB2 LYS 44 2HB LYS 44 -5.948 -16.047 -6.609 334 HB3 LYS 44 3HB LYS 44 -6.859 -14.727 -7.382 335 HG2 LYS 44 2HG LYS 44 -5.205 -14.960 -9.323 336 HG3 LYS 44 3HG LYS 44 -4.727 -16.501 -8.571 337 HD2 LYS 44 2HD LYS 44 -6.382 -16.940 -10.271 338 HD3 LYS 44 3HD LYS 44 -7.110 -17.230 -8.673 339 HE2 LYS 44 2HE LYS 44 -8.287 -15.145 -8.743 340 HE3 LYS 44 3HE LYS 44 -7.392 -14.619 -10.185 341 HZ1 LYS 44 3HZ LYS 44 -9.281 -16.872 -10.069 342 HZ2 LYS 44 1HZ LYS 44 -9.586 -15.396 -10.736 343 HZ3 LYS 44 2HZ LYS 44 -8.450 -16.383 -11.408 344 H GLY 45 HN GLY 45 -3.421 -13.643 -8.806 345 HA2 GLY 45 1HA GLY 45 -4.910 -11.124 -9.329 346 HA3 GLY 45 2HA GLY 45 -3.133 -11.183 -9.350 347 H VAL 46 HN VAL 46 -4.550 -10.317 -11.535 348 HA VAL 46 HA VAL 46 -4.202 -12.587 -13.429 349 HB VAL 46 HB VAL 46 -6.550 -11.808 -13.260 350 HG11 VAL 46 1HG1 VAL 46 -7.192 -9.575 -14.065 351 HG12 VAL 46 2HG1 VAL 46 -6.141 -9.479 -12.634 352 HG13 VAL 46 3HG1 VAL 46 -5.476 -9.152 -14.253 353 HG21 VAL 46 3HG2 VAL 46 -5.723 -12.734 -15.368 354 HG22 VAL 46 1HG2 VAL 46 -6.947 -11.479 -15.664 355 HG23 VAL 46 2HG2 VAL 46 -5.223 -11.110 -15.895 356 H VAL 47 HN VAL 47 -3.024 -12.210 -15.304 357 HA VAL 47 HA VAL 47 -1.205 -9.926 -15.102 358 HB VAL 47 HB VAL 47 -1.267 -12.163 -17.159 359 HG11 VAL 47 1HG1 VAL 47 1.074 -11.529 -17.565 360 HG12 VAL 47 2HG1 VAL 47 -0.034 -10.173 -17.880 361 HG13 VAL 47 3HG1 VAL 47 0.921 -10.213 -16.379 362 HG21 VAL 47 3HG2 VAL 47 -1.003 -13.058 -14.896 363 HG22 VAL 47 1HG2 VAL 47 0.507 -13.214 -15.822 364 HG23 VAL 47 2HG2 VAL 47 0.344 -11.932 -14.600 365 H MET 48 HN MET 48 -1.753 -8.044 -15.950 366 HA MET 48 HA MET 48 -3.610 -7.983 -18.251 367 HB2 MET 48 2HB MET 48 -2.554 -5.770 -16.460 368 HB3 MET 48 3HB MET 48 -3.761 -5.576 -17.756 369 HG2 MET 48 2HG MET 48 -4.232 -7.464 -15.456 370 HG3 MET 48 3HG MET 48 -4.552 -5.729 -15.294 371 HE1 MET 48 3HE MET 48 -5.741 -9.141 -16.762 372 HE2 MET 48 1HE MET 48 -6.888 -8.668 -18.034 373 HE3 MET 48 2HE MET 48 -5.151 -8.375 -18.256 374 H GLU 49 HN GLU 49 -0.333 -7.117 -17.242 375 HA GLU 49 HA GLU 49 0.289 -6.602 -20.113 376 HB2 GLU 49 2HB GLU 49 0.385 -4.536 -18.739 377 HB3 GLU 49 3HB GLU 49 1.602 -5.317 -17.701 378 HG2 GLU 49 2HG GLU 49 2.592 -3.776 -19.352 379 HG3 GLU 49 3HG GLU 49 3.156 -5.450 -19.544 380 HE2 GLU 49 2HE GLU 49 1.746 -5.703 -22.696 381 H ALA 50 HN ALA 50 2.201 -7.478 -20.892 382 HA ALA 50 HA ALA 50 2.736 -10.052 -19.906 383 HB1 ALA 50 1HB ALA 50 4.550 -10.102 -21.568 384 HB2 ALA 50 2HB ALA 50 3.073 -9.372 -22.239 385 HB3 ALA 50 3HB ALA 50 4.434 -8.336 -21.745 386 H ILE 51 HN ILE 51 3.887 -10.795 -18.299 387 HA ILE 51 HA ILE 51 5.871 -9.031 -17.000 388 HB ILE 51 HB ILE 51 4.794 -11.753 -16.145 389 HG12 ILE 51 2HG1 ILE 51 4.077 -8.995 -15.107 390 HG13 ILE 51 3HG1 ILE 51 3.079 -9.944 -16.235 391 HG21 ILE 51 1HG2 ILE 51 5.768 -11.200 -13.954 392 HG22 ILE 51 2HG2 ILE 51 7.012 -11.244 -15.224 393 HG23 ILE 51 3HG2 ILE 51 6.409 -9.681 -14.623 394 HD11 ILE 51 3HD1 ILE 51 3.834 -10.749 -13.416 395 HD12 ILE 51 1HD1 ILE 51 2.248 -10.138 -13.930 396 HD13 ILE 51 2HD1 ILE 51 2.835 -11.697 -14.544 397 H SER 52 HN SER 52 7.988 -9.236 -17.515 398 HA SER 52 HA SER 52 8.894 -11.928 -18.398 399 HB2 SER 52 2HB SER 52 10.390 -10.732 -20.055 400 HB3 SER 52 3HB SER 52 8.652 -10.677 -20.433 401 HG SER 52 HG SER 52 9.673 -8.629 -20.649 402 HA PRO 53 HA PRO 53 12.499 -11.263 -15.849 403 HB2 PRO 53 2HB PRO 53 14.234 -12.309 -18.029 404 HB3 PRO 53 3HB PRO 53 13.846 -13.003 -16.421 405 HG2 PRO 53 2HG PRO 53 12.932 -14.012 -18.760 406 HG3 PRO 53 3HG PRO 53 12.104 -14.230 -17.185 407 HD2 PRO 53 2HD PRO 53 11.464 -12.435 -19.507 408 HD3 PRO 53 3HD PRO 53 10.372 -13.203 -18.316 409 H GLN 54 HN GLN 54 11.964 -9.765 -18.844 410 HA GLN 54 HA GLN 54 14.431 -8.148 -18.721 411 HB2 GLN 54 2HB GLN 54 12.111 -8.143 -20.678 412 HB3 GLN 54 3HB GLN 54 13.578 -7.143 -20.812 413 HG2 GLN 54 2HG GLN 54 14.922 -9.230 -20.936 414 HG3 GLN 54 3HG GLN 54 13.406 -10.159 -20.951 415 HE21 GLN 54 1HE2 GLN 54 15.563 -9.948 -22.977 416 HE22 GLN 54 2HE2 GLN 54 14.776 -9.407 -24.444 417 H ASN 55 HN ASN 55 10.883 -7.641 -18.881 418 HA ASN 55 HA ASN 55 11.278 -5.224 -17.198 419 HB2 ASN 55 2HB ASN 55 10.998 -4.577 -19.588 420 HB3 ASN 55 3HB ASN 55 9.433 -5.417 -19.604 421 HD21 ASN 55 1HD2 ASN 55 11.252 -2.690 -18.270 422 HD22 ASN 55 2HD2 ASN 55 9.857 -1.750 -17.784 423 H SER 56 HN SER 56 9.779 -4.912 -15.631 424 HA SER 56 HA SER 56 8.242 -7.182 -14.823 425 HB2 SER 56 2HB SER 56 7.779 -4.356 -13.849 426 HB3 SER 56 3HB SER 56 7.614 -5.887 -12.955 427 HG SER 56 HG SER 56 9.538 -4.744 -12.413 428 H GLY 57 HN GLY 57 6.006 -7.481 -14.734 429 HA2 GLY 57 1HA GLY 57 4.610 -6.042 -16.916 430 HA3 GLY 57 2HA GLY 57 4.173 -7.633 -16.252 431 H LEU 58 HN LEU 58 2.018 -6.393 -16.358 432 HA LEU 58 HA LEU 58 1.675 -4.948 -13.776 433 HB2 LEU 58 2HB LEU 58 0.274 -4.504 -16.426 434 HB3 LEU 58 3HB LEU 58 -0.208 -3.752 -14.886 435 HG LEU 58 HG LEU 58 2.437 -3.362 -16.303 436 HD11 LEU 58 1HD1 LEU 58 1.609 -1.085 -16.736 437 HD12 LEU 58 2HD1 LEU 58 0.560 -2.314 -17.480 438 HD13 LEU 58 3HD1 LEU 58 0.058 -1.507 -15.974 439 HD21 LEU 58 3HD2 LEU 58 2.638 -3.203 -13.862 440 HD22 LEU 58 1HD2 LEU 58 2.828 -1.606 -14.620 441 HD23 LEU 58 2HD2 LEU 58 1.296 -2.034 -13.822 442 H VAL 59 HN VAL 59 0.345 -5.856 -12.392 443 HA VAL 59 HA VAL 59 -1.693 -7.743 -13.457 444 HB VAL 59 HB VAL 59 -1.569 -8.911 -11.252 445 HG11 VAL 59 1HG1 VAL 59 0.514 -10.125 -11.724 446 HG12 VAL 59 2HG1 VAL 59 -0.395 -9.783 -13.215 447 HG13 VAL 59 3HG1 VAL 59 1.036 -8.809 -12.801 448 HG21 VAL 59 3HG2 VAL 59 -0.627 -7.087 -9.915 449 HG22 VAL 59 1HG2 VAL 59 0.376 -8.551 -9.793 450 HG23 VAL 59 2HG2 VAL 59 0.899 -7.200 -10.826 451 H LYS 60 HN LYS 60 -3.771 -7.681 -12.469 452 HA LYS 60 HA LYS 60 -4.171 -5.149 -10.951 453 HB2 LYS 60 2HB LYS 60 -5.227 -5.438 -13.262 454 HB3 LYS 60 3HB LYS 60 -6.298 -6.634 -12.494 455 HG2 LYS 60 2HG LYS 60 -7.277 -5.007 -11.087 456 HG3 LYS 60 3HG LYS 60 -6.005 -3.816 -11.448 457 HD2 LYS 60 2HD LYS 60 -6.789 -3.825 -13.837 458 HD3 LYS 60 3HD LYS 60 -8.157 -4.842 -13.323 459 HE2 LYS 60 2HE LYS 60 -8.919 -3.103 -11.800 460 HE3 LYS 60 3HE LYS 60 -7.510 -2.098 -12.202 461 HZ1 LYS 60 3HZ LYS 60 -9.625 -2.910 -14.083 462 HZ2 LYS 60 1HZ LYS 60 -9.461 -1.413 -13.410 463 HZ3 LYS 60 2HZ LYS 60 -8.317 -1.977 -14.455 464 H VAL 61 HN VAL 61 -4.315 -5.529 -8.867 465 HA VAL 61 HA VAL 61 -5.335 -8.115 -7.927 466 HB VAL 61 HB VAL 61 -4.322 -5.753 -6.304 467 HG11 VAL 61 1HG1 VAL 61 -3.976 -7.426 -4.533 468 HG12 VAL 61 2HG1 VAL 61 -5.682 -7.344 -5.029 469 HG13 VAL 61 3HG1 VAL 61 -4.655 -8.684 -5.592 470 HG21 VAL 61 3HG2 VAL 61 -2.605 -6.528 -7.868 471 HG22 VAL 61 1HG2 VAL 61 -2.179 -6.951 -6.193 472 HG23 VAL 61 2HG2 VAL 61 -2.821 -8.197 -7.287 473 H ASP 62 HN ASP 62 -7.489 -8.012 -8.455 474 HA ASP 62 HA ASP 62 -9.683 -7.780 -7.929 475 HB2 ASP 62 2HB ASP 62 -8.861 -7.866 -5.557 476 HB3 ASP 62 3HB ASP 62 -8.840 -6.089 -5.558 477 HD2 ASP 62 2HD ASP 62 -12.234 -5.952 -5.023 478 H GLY 63 HN GLY 63 -8.333 -4.612 -6.888 479 HA2 GLY 63 1HA GLY 63 -9.792 -3.374 -9.139 480 HA3 GLY 63 2HA GLY 63 -10.199 -2.858 -7.486 481 H GLU 64 HN GLU 64 -6.907 -3.731 -7.773 482 HA GLU 64 HA GLU 64 -6.170 -0.892 -8.317 483 HB2 GLU 64 2HB GLU 64 -4.986 -2.807 -6.285 484 HB3 GLU 64 3HB GLU 64 -4.278 -1.235 -6.725 485 HG2 GLU 64 2HG GLU 64 -6.411 -0.159 -5.976 486 HG3 GLU 64 3HG GLU 64 -6.933 -1.747 -5.373 487 HE2 GLU 64 2HE GLU 64 -5.439 -0.486 -2.464 488 H THR 65 HN THR 65 -4.324 -0.533 -9.556 489 HA THR 65 HA THR 65 -3.315 -2.945 -10.949 490 HB THR 65 HB THR 65 -2.850 -0.030 -11.677 491 HG1 THR 65 1HG THR 65 -4.563 -0.398 -13.191 492 HG21 THR 65 3HG2 THR 65 -2.629 -2.600 -13.288 493 HG22 THR 65 1HG2 THR 65 -2.343 -0.958 -13.911 494 HG23 THR 65 2HG2 THR 65 -1.267 -1.637 -12.669 495 H TRP 66 HN TRP 66 -1.432 -3.768 -10.415 496 HA TRP 66 HA TRP 66 0.654 -1.968 -9.278 497 HB2 TRP 66 2HB TRP 66 -0.129 -4.755 -8.346 498 HB3 TRP 66 3HB TRP 66 1.354 -3.925 -7.852 499 HD1 TRP 66 1HD TRP 66 -2.503 -3.562 -7.501 500 HE1 TRP 66 1HE TRP 66 -3.025 -2.244 -5.372 501 HE3 TRP 66 3HE TRP 66 2.292 -2.402 -6.148 502 HZ2 TRP 66 2HZ TRP 66 -1.558 -0.911 -3.354 503 HZ3 TRP 66 3HZ TRP 66 2.651 -1.112 -4.080 504 HH2 TRP 66 2HH TRP 66 0.749 -0.362 -2.713 505 H ARG 67 HN ARG 67 2.889 -2.915 -9.500 506 HA ARG 67 HA ARG 67 3.133 -4.235 -12.104 507 HB2 ARG 67 2HB ARG 67 5.207 -3.260 -10.119 508 HB3 ARG 67 3HB ARG 67 5.598 -4.068 -11.656 509 HG2 ARG 67 2HG ARG 67 5.834 -1.763 -12.070 510 HG3 ARG 67 3HG ARG 67 4.278 -2.223 -12.801 511 HD2 ARG 67 2HD ARG 67 3.183 -1.444 -10.652 512 HD3 ARG 67 3HD ARG 67 4.758 -0.754 -10.203 513 HE ARG 67 HE ARG 67 3.073 0.087 -12.504 514 HH11 ARG 67 2HH1 ARG 67 5.791 0.662 -10.326 515 HH12 ARG 67 1HH1 ARG 67 5.979 2.330 -10.811 516 HH21 ARG 67 2HH2 ARG 67 3.307 2.255 -13.098 517 HH22 ARG 67 1HH2 ARG 67 4.571 3.233 -12.382 518 H ALA 68 HN ALA 68 4.820 -6.062 -12.229 519 HA ALA 68 HA ALA 68 4.880 -7.755 -9.841 520 HB1 ALA 68 1HB ALA 68 3.853 -9.690 -10.965 521 HB2 ALA 68 2HB ALA 68 2.712 -8.333 -10.839 522 HB3 ALA 68 3HB ALA 68 3.514 -8.680 -12.390 523 H THR 69 HN THR 69 6.580 -9.093 -9.780 524 HA THR 69 HA THR 69 8.216 -9.314 -12.258 525 HB THR 69 HB THR 69 10.164 -9.641 -10.634 526 HG1 THR 69 1HG THR 69 9.807 -8.722 -8.543 527 HG21 THR 69 3HG2 THR 69 8.771 -6.941 -10.639 528 HG22 THR 69 1HG2 THR 69 10.492 -7.220 -10.292 529 HG23 THR 69 2HG2 THR 69 9.847 -7.563 -11.912 530 H SER 70 HN SER 70 8.786 -11.309 -12.909 531 HA SER 70 HA SER 70 8.347 -13.576 -11.047 532 HB2 SER 70 2HB SER 70 6.299 -13.344 -12.410 533 HB3 SER 70 3HB SER 70 7.280 -13.391 -13.895 534 HG SER 70 HG SER 70 6.362 -15.431 -13.370 535 H GLY 71 HN GLY 71 9.301 -15.629 -12.006 536 HA2 GLY 71 1HA GLY 71 11.904 -14.942 -13.213 537 HA3 GLY 71 2HA GLY 71 11.444 -16.493 -12.475 538 H THR 72 HN THR 72 8.831 -16.210 -14.068 539 HA THR 72 HA THR 72 9.937 -17.154 -16.664 540 HB THR 72 HB THR 72 7.677 -18.369 -16.806 541 HG1 THR 72 1HG THR 72 6.723 -18.775 -14.740 542 HG21 THR 72 3HG2 THR 72 9.629 -19.219 -14.640 543 HG22 THR 72 1HG2 THR 72 8.462 -20.281 -15.458 544 HG23 THR 72 2HG2 THR 72 9.792 -19.548 -16.382 545 H VAL 73 HN VAL 73 8.526 -16.755 -18.554 546 HA VAL 73 HA VAL 73 7.506 -14.043 -18.436 547 HB VAL 73 HB VAL 73 8.731 -14.767 -20.416 548 HG11 VAL 73 1HG1 VAL 73 7.795 -16.388 -22.012 549 HG12 VAL 73 2HG1 VAL 73 8.116 -17.137 -20.432 550 HG13 VAL 73 3HG1 VAL 73 6.451 -16.708 -20.893 551 HG21 VAL 73 3HG2 VAL 73 7.043 -13.010 -20.654 552 HG22 VAL 73 1HG2 VAL 73 7.165 -13.980 -22.139 553 HG23 VAL 73 2HG2 VAL 73 5.806 -14.238 -21.020 554 H LEU 74 HN LEU 74 5.539 -13.456 -17.919 555 HA LEU 74 HA LEU 74 3.365 -15.488 -18.115 556 HB2 LEU 74 2HB LEU 74 3.546 -13.036 -16.339 557 HB3 LEU 74 3HB LEU 74 2.244 -14.250 -16.348 558 HG LEU 74 HG LEU 74 5.129 -14.801 -15.606 559 HD11 LEU 74 1HD1 LEU 74 4.311 -14.939 -13.290 560 HD12 LEU 74 2HD1 LEU 74 4.053 -13.318 -13.977 561 HD13 LEU 74 3HD1 LEU 74 2.689 -14.453 -13.837 562 HD21 LEU 74 3HD2 LEU 74 3.938 -16.745 -16.512 563 HD22 LEU 74 1HD2 LEU 74 4.245 -16.940 -14.771 564 HD23 LEU 74 2HD2 LEU 74 2.621 -16.490 -15.342 565 H ASP 75 HN ASP 75 1.824 -15.124 -19.558 566 HA ASP 75 HA ASP 75 1.947 -12.559 -21.018 567 HB2 ASP 75 2HB ASP 75 1.964 -14.979 -22.044 568 HB3 ASP 75 3HB ASP 75 0.206 -14.886 -21.798 569 HD2 ASP 75 2HD ASP 75 1.814 -12.905 -24.780 570 H VAL 76 HN VAL 76 -0.366 -12.018 -21.990 571 HA VAL 76 HA VAL 76 -1.793 -11.025 -19.695 572 HB VAL 76 HB VAL 76 -2.580 -10.934 -22.631 573 HG11 VAL 76 1HG1 VAL 76 -3.928 -8.983 -21.977 574 HG12 VAL 76 2HG1 VAL 76 -4.435 -10.449 -21.104 575 HG13 VAL 76 3HG1 VAL 76 -3.444 -9.220 -20.282 576 HG21 VAL 76 3HG2 VAL 76 -0.355 -9.975 -22.266 577 HG22 VAL 76 1HG2 VAL 76 -1.540 -8.706 -22.655 578 HG23 VAL 76 2HG2 VAL 76 -1.008 -8.939 -20.974 579 H GLY 77 HN GLY 77 -3.422 -11.914 -18.617 580 HA2 GLY 77 1HA GLY 77 -5.601 -12.935 -18.649 581 HA3 GLY 77 2HA GLY 77 -5.109 -13.874 -20.077 582 H GLU 78 HN GLU 78 -2.498 -13.880 -18.031 583 HA GLU 78 HA GLU 78 -3.093 -16.561 -17.106 584 HB2 GLU 78 2HB GLU 78 -0.783 -14.656 -16.846 585 HB3 GLU 78 3HB GLU 78 -0.848 -16.162 -15.901 586 HG2 GLU 78 2HG GLU 78 -0.888 -15.905 -18.909 587 HG3 GLU 78 3HG GLU 78 0.461 -16.478 -17.904 588 HE2 GLU 78 2HE GLU 78 -2.169 -19.077 -19.041 589 H GLU 79 HN GLU 79 -2.711 -17.198 -14.879 590 HA GLU 79 HA GLU 79 -3.944 -15.254 -12.979 591 HB2 GLU 79 2HB GLU 79 -3.860 -18.272 -12.727 592 HB3 GLU 79 3HB GLU 79 -4.854 -17.119 -11.804 593 HG2 GLU 79 2HG GLU 79 -5.157 -17.579 -14.773 594 HG3 GLU 79 3HG GLU 79 -6.057 -18.490 -13.541 595 HE2 GLU 79 2HE GLU 79 -7.436 -15.038 -14.608 596 H VAL 80 HN VAL 80 -2.590 -14.544 -11.381 597 HA VAL 80 HA VAL 80 -0.266 -16.308 -10.798 598 HB VAL 80 HB VAL 80 1.038 -14.281 -10.229 599 HG11 VAL 80 1HG1 VAL 80 1.417 -13.512 -12.532 600 HG12 VAL 80 2HG1 VAL 80 1.218 -15.278 -12.459 601 HG13 VAL 80 3HG1 VAL 80 -0.120 -14.254 -13.031 602 HG21 VAL 80 3HG2 VAL 80 -0.818 -12.784 -9.662 603 HG22 VAL 80 1HG2 VAL 80 0.232 -12.057 -10.900 604 HG23 VAL 80 2HG2 VAL 80 -1.332 -12.766 -11.366 605 H SER 81 HN SER 81 0.405 -16.570 -8.704 606 HA SER 81 HA SER 81 -1.482 -15.590 -6.637 607 HB2 SER 81 2HB SER 81 0.660 -17.746 -6.582 608 HB3 SER 81 3HB SER 81 -0.300 -17.246 -5.170 609 HG SER 81 HG SER 81 -1.189 -19.071 -6.249 610 H VAL 82 HN VAL 82 -0.939 -13.966 -5.330 611 HA VAL 82 HA VAL 82 1.702 -12.770 -5.629 612 HB VAL 82 HB VAL 82 -0.548 -11.963 -3.748 613 HG11 VAL 82 1HG1 VAL 82 0.543 -9.759 -3.769 614 HG12 VAL 82 2HG1 VAL 82 1.639 -11.023 -3.166 615 HG13 VAL 82 3HG1 VAL 82 1.821 -10.403 -4.825 616 HG21 VAL 82 3HG2 VAL 82 -1.342 -11.997 -6.064 617 HG22 VAL 82 1HG2 VAL 82 -1.201 -10.328 -5.464 618 HG23 VAL 82 2HG2 VAL 82 0.038 -10.987 -6.558 619 H LYS 83 HN LYS 83 3.397 -13.529 -4.558 620 HA LYS 83 HA LYS 83 3.017 -15.009 -2.068 621 HB2 LYS 83 2HB LYS 83 5.403 -14.339 -3.800 622 HB3 LYS 83 3HB LYS 83 5.541 -15.203 -2.250 623 HG2 LYS 83 2HG LYS 83 4.108 -16.105 -4.755 624 HG3 LYS 83 3HG LYS 83 5.542 -16.830 -3.991 625 HD2 LYS 83 2HD LYS 83 4.140 -17.224 -1.949 626 HD3 LYS 83 3HD LYS 83 2.727 -16.709 -2.901 627 HE2 LYS 83 2HE LYS 83 2.799 -19.100 -2.940 628 HE3 LYS 83 3HE LYS 83 3.278 -18.519 -4.549 629 HZ1 LYS 83 3HZ LYS 83 5.120 -19.406 -2.429 630 HZ2 LYS 83 1HZ LYS 83 4.714 -20.271 -3.772 631 HZ3 LYS 83 2HZ LYS 83 5.565 -18.868 -3.924 632 H ALA 84 HN ALA 84 4.626 -12.001 -3.164 633 HA ALA 84 HA ALA 84 4.308 -10.900 -0.469 634 HB1 ALA 84 1HB ALA 84 6.692 -10.329 -0.226 635 HB2 ALA 84 2HB ALA 84 6.452 -12.090 -0.294 636 HB3 ALA 84 3HB ALA 84 7.056 -11.218 -1.723 637 H ILE 85 HN ILE 85 4.765 -8.602 -0.378 638 HA ILE 85 HA ILE 85 4.449 -7.355 -3.054 639 HB ILE 85 HB ILE 85 3.896 -6.207 -0.285 640 HG12 ILE 85 2HG1 ILE 85 2.014 -7.158 -2.471 641 HG13 ILE 85 3HG1 ILE 85 2.348 -8.005 -0.942 642 HG21 ILE 85 1HG2 ILE 85 2.833 -4.350 -1.505 643 HG22 ILE 85 2HG2 ILE 85 4.559 -4.488 -1.912 644 HG23 ILE 85 3HG2 ILE 85 3.327 -5.083 -3.050 645 HD11 ILE 85 3HD1 ILE 85 1.050 -5.286 -1.222 646 HD12 ILE 85 1HD1 ILE 85 0.206 -6.802 -0.845 647 HD13 ILE 85 2HD1 ILE 85 1.382 -6.135 0.306 648 H GLU 86 HN GLU 86 5.951 -5.979 -3.854 649 HA GLU 86 HA GLU 86 8.287 -5.385 -2.093 650 HB2 GLU 86 2HB GLU 86 8.706 -7.215 -3.752 651 HB3 GLU 86 3HB GLU 86 8.343 -6.056 -5.054 652 HG2 GLU 86 2HG GLU 86 10.728 -6.285 -4.813 653 HG3 GLU 86 3HG GLU 86 10.231 -4.658 -4.300 654 HE2 GLU 86 2HE GLU 86 11.677 -5.145 -1.240 655 H GLY 87 HN GLY 87 7.199 -3.332 -1.685 656 HA2 GLY 87 1HA GLY 87 7.095 -1.063 -2.079 657 HA3 GLY 87 2HA GLY 87 7.994 -1.318 -3.592 658 H VAL 88 HN VAL 88 6.946 -0.829 -5.389 659 HA VAL 88 HA VAL 88 3.979 -0.794 -5.276 660 HB VAL 88 HB VAL 88 4.094 0.660 -7.286 661 HG11 VAL 88 1HG1 VAL 88 4.900 2.677 -6.127 662 HG12 VAL 88 2HG1 VAL 88 3.942 1.641 -5.043 663 HG13 VAL 88 3HG1 VAL 88 5.717 1.655 -4.921 664 HG21 VAL 88 3HG2 VAL 88 6.236 -0.110 -8.187 665 HG22 VAL 88 1HG2 VAL 88 6.237 1.654 -7.966 666 HG23 VAL 88 2HG2 VAL 88 7.086 0.613 -6.801 667 H LYS 89 HN LYS 89 6.264 -2.908 -6.046 668 HA LYS 89 HA LYS 89 4.591 -4.017 -8.243 669 HB2 LYS 89 2HB LYS 89 6.576 -5.059 -9.181 670 HB3 LYS 89 3HB LYS 89 6.763 -3.290 -9.120 671 HG2 LYS 89 2HG LYS 89 8.166 -3.503 -7.134 672 HG3 LYS 89 3HG LYS 89 7.970 -5.271 -7.178 673 HD2 LYS 89 2HD LYS 89 10.081 -4.781 -8.172 674 HD3 LYS 89 3HD LYS 89 8.974 -5.223 -9.494 675 HE2 LYS 89 2HE LYS 89 10.240 -3.329 -10.219 676 HE3 LYS 89 3HE LYS 89 8.587 -2.771 -9.880 677 HZ1 LYS 89 3HZ LYS 89 10.897 -2.478 -8.080 678 HZ2 LYS 89 1HZ LYS 89 10.230 -1.277 -8.990 679 HZ3 LYS 89 2HZ LYS 89 9.363 -1.959 -7.766 680 H LEU 90 HN LEU 90 4.493 -6.380 -8.260 681 HA LEU 90 HA LEU 90 4.669 -7.369 -5.459 682 HB2 LEU 90 2HB LEU 90 2.905 -8.361 -7.714 683 HB3 LEU 90 3HB LEU 90 2.840 -8.846 -6.002 684 HG LEU 90 HG LEU 90 2.172 -6.113 -7.115 685 HD11 LEU 90 1HD1 LEU 90 -0.132 -6.680 -6.476 686 HD12 LEU 90 2HD1 LEU 90 0.513 -7.825 -7.675 687 HD13 LEU 90 3HD1 LEU 90 0.411 -8.294 -5.961 688 HD21 LEU 90 3HD2 LEU 90 3.132 -5.990 -4.864 689 HD22 LEU 90 1HD2 LEU 90 1.397 -5.605 -4.837 690 HD23 LEU 90 2HD2 LEU 90 1.962 -7.202 -4.292 691 H VAL 91 HN VAL 91 5.434 -9.410 -5.016 692 HA VAL 91 HA VAL 91 6.986 -10.708 -7.174 693 HB VAL 91 HB VAL 91 6.844 -11.378 -4.209 694 HG11 VAL 91 1HG1 VAL 91 8.886 -12.688 -4.630 695 HG12 VAL 91 2HG1 VAL 91 7.522 -13.274 -5.610 696 HG13 VAL 91 3HG1 VAL 91 8.792 -12.275 -6.358 697 HG21 VAL 91 3HG2 VAL 91 7.777 -9.141 -4.567 698 HG22 VAL 91 1HG2 VAL 91 9.035 -10.275 -4.022 699 HG23 VAL 91 2HG2 VAL 91 8.943 -9.806 -5.735 700 H VAL 92 HN VAL 92 5.822 -12.049 -8.397 701 HA VAL 92 HA VAL 92 3.744 -13.680 -7.030 702 HB VAL 92 HB VAL 92 2.309 -13.451 -9.024 703 HG11 VAL 92 1HG1 VAL 92 1.591 -11.125 -8.671 704 HG12 VAL 92 2HG1 VAL 92 1.976 -11.930 -7.133 705 HG13 VAL 92 3HG1 VAL 92 3.129 -10.777 -7.848 706 HG21 VAL 92 3HG2 VAL 92 4.054 -13.035 -10.693 707 HG22 VAL 92 1HG2 VAL 92 2.805 -11.770 -10.751 708 HG23 VAL 92 2HG2 VAL 92 4.370 -11.438 -9.975 709 H GLU 93 HN GLU 93 3.139 -15.635 -8.151 710 HA GLU 93 HA GLU 93 5.143 -16.539 -10.148 711 HB2 GLU 93 2HB GLU 93 4.083 -18.163 -7.813 712 HB3 GLU 93 3HB GLU 93 5.065 -18.804 -9.152 713 HG2 GLU 93 2HG GLU 93 6.886 -17.244 -8.492 714 HG3 GLU 93 3HG GLU 93 5.909 -16.754 -7.091 715 HE2 GLU 93 2HE GLU 93 6.653 -19.680 -5.380 716 H LYS 94 HN LYS 94 4.360 -18.388 -11.426 717 HA LYS 94 HA LYS 94 1.676 -17.858 -12.354 718 HB2 LYS 94 2HB LYS 94 3.547 -18.533 -13.836 719 HB3 LYS 94 3HB LYS 94 3.588 -20.120 -13.033 720 HG2 LYS 94 2HG LYS 94 1.197 -20.438 -13.794 721 HG3 LYS 94 3HG LYS 94 1.406 -18.977 -14.789 722 HD2 LYS 94 2HD LYS 94 3.252 -20.005 -15.982 723 HD3 LYS 94 3HD LYS 94 3.179 -21.434 -14.925 724 HE2 LYS 94 2HE LYS 94 2.075 -22.113 -16.867 725 HE3 LYS 94 3HE LYS 94 0.760 -21.687 -15.750 726 HZ1 LYS 94 3HZ LYS 94 1.798 -19.973 -17.905 727 HZ2 LYS 94 1HZ LYS 94 0.380 -20.809 -17.945 728 HZ3 LYS 94 2HZ LYS 94 0.578 -19.579 -16.868 729 H LEU 95 HN LEU 95 -0.183 -18.948 -11.958 730 HA LEU 95 HA LEU 95 -0.468 -20.662 -9.741 731 HB2 LEU 95 2HB LEU 95 -2.107 -19.687 -11.932 732 HB3 LEU 95 3HB LEU 95 -2.502 -21.372 -11.517 733 HG LEU 95 HG LEU 95 -3.956 -19.860 -10.320 734 HD11 LEU 95 1HD1 LEU 95 -3.526 -20.600 -8.011 735 HD12 LEU 95 2HD1 LEU 95 -3.262 -21.916 -9.177 736 HD13 LEU 95 3HD1 LEU 95 -1.870 -21.060 -8.470 737 HD21 LEU 95 3HD2 LEU 95 -2.519 -17.879 -10.330 738 HD22 LEU 95 1HD2 LEU 95 -3.093 -18.242 -8.687 739 HD23 LEU 95 2HD2 LEU 95 -1.430 -18.656 -9.157 740 H GLU 96 HN GLU 96 -0.877 -22.903 -9.582 741 HA GLU 96 HA GLU 96 0.939 -24.421 -11.275 742 HB2 GLU 96 2HB GLU 96 -0.716 -25.045 -8.830 743 HB3 GLU 96 3HB GLU 96 0.137 -26.319 -9.733 744 HG2 GLU 96 2HG GLU 96 1.411 -23.888 -8.454 745 HG3 GLU 96 3HG GLU 96 1.433 -25.543 -7.806 746 HE2 GLU 96 2HE GLU 96 3.769 -26.562 -10.228 747 H GLU 97 HN GLU 97 0.452 -25.605 -12.972 748 HA GLU 97 HA GLU 97 -2.387 -26.168 -13.569 749 HB2 GLU 97 2HB GLU 97 -0.938 -25.213 -15.329 750 HB3 GLU 97 3HB GLU 97 0.135 -26.627 -15.200 751 HG2 GLU 97 2HG GLU 97 -1.697 -28.082 -15.922 752 HG3 GLU 97 3HG GLU 97 -2.770 -26.672 -16.050 753 HE2 GLU 97 2HE GLU 97 -0.182 -27.373 -18.948 754 H GLN 98 HN GLN 98 -3.102 -27.895 -12.453 755 HA GLN 98 HA GLN 98 -1.295 -30.237 -12.227 756 HB2 GLN 98 2HB GLN 98 -2.860 -30.986 -10.449 757 HB3 GLN 98 3HB GLN 98 -2.063 -29.434 -10.097 758 HG2 GLN 98 2HG GLN 98 -4.079 -28.223 -10.693 759 HG3 GLN 98 3HG GLN 98 -4.879 -29.737 -11.170 760 HE21 GLN 98 1HE2 GLN 98 -3.721 -27.779 -8.477 761 HE22 GLN 98 2HE2 GLN 98 -4.589 -28.641 -7.222 762 H LYS 99 HN LYS 99 -1.904 -32.261 -12.895 763 HA LYS 99 HA LYS 99 -4.353 -32.324 -14.597 764 HB2 LYS 99 2HB LYS 99 -1.730 -33.758 -15.123 765 HB3 LYS 99 3HB LYS 99 -3.159 -33.698 -16.183 766 HG2 LYS 99 2HG LYS 99 -2.839 -31.250 -16.407 767 HG3 LYS 99 3HG LYS 99 -1.353 -31.386 -15.439 768 HD2 LYS 99 2HD LYS 99 -0.437 -32.953 -17.133 769 HD3 LYS 99 3HD LYS 99 -1.898 -32.699 -18.116 770 HE2 LYS 99 2HE LYS 99 0.070 -30.551 -17.267 771 HE3 LYS 99 3HE LYS 99 -0.026 -31.294 -18.878 772 HZ1 LYS 99 3HZ LYS 99 -2.152 -29.715 -17.591 773 HZ2 LYS 99 1HZ LYS 99 -1.166 -29.189 -18.801 774 HZ3 LYS 99 2HZ LYS 99 -2.240 -30.404 -19.086 775 H GLY 100 HN GLY 100 -3.479 -33.240 -11.729 776 HA2 GLY 100 1HA GLY 100 -4.635 -34.922 -10.517 777 HA3 GLY 100 2HA GLY 100 -4.797 -35.875 -12.009 778 H SER 101 HN SER 101 -2.057 -35.639 -12.831 779 HA SER 101 HA SER 101 -0.891 -37.648 -11.042 780 HB2 SER 101 2HB SER 101 0.215 -36.426 -13.598 781 HB3 SER 101 3HB SER 101 0.784 -37.902 -12.781 782 HG SER 101 HG SER 101 -0.622 -38.350 -14.548 Start of MODEL 9 1 H1 MET 1 HN MET 1 -45.056 -21.021 21.218 2 HA MET 1 HA MET 1 -44.829 -20.092 23.895 3 HB2 MET 1 2HB MET 1 -42.735 -22.115 23.062 4 HB3 MET 1 3HB MET 1 -42.437 -20.884 24.312 5 HG2 MET 1 2HG MET 1 -43.032 -22.919 25.404 6 HG3 MET 1 3HG MET 1 -44.383 -21.786 25.579 7 HE1 MET 1 3HE MET 1 -45.955 -23.777 26.336 8 HE2 MET 1 1HE MET 1 -46.169 -25.281 25.411 9 HE3 MET 1 2HE MET 1 -44.598 -24.914 26.158 10 H GLY 2 HN GLY 2 -44.177 -18.050 23.679 11 HA2 GLY 2 1HA GLY 2 -42.754 -16.324 23.004 12 HA3 GLY 2 2HA GLY 2 -41.950 -17.436 21.872 13 H SER 3 HN SER 3 -45.273 -16.141 22.357 14 HA SER 3 HA SER 3 -45.838 -16.172 19.541 15 HB2 SER 3 2HB SER 3 -47.214 -14.570 21.724 16 HB3 SER 3 3HB SER 3 -47.893 -15.064 20.154 17 HG SER 3 HG SER 3 -48.557 -16.432 21.879 18 H SER 4 HN SER 4 -44.773 -14.931 18.138 19 HA SER 4 HA SER 4 -43.693 -12.345 18.969 20 HB2 SER 4 2HB SER 4 -43.668 -13.705 16.250 21 HB3 SER 4 3HB SER 4 -42.668 -12.324 16.760 22 HG SER 4 HG SER 4 -41.553 -14.334 16.908 23 H HIS 5 HN HIS 5 -44.395 -10.364 18.405 24 HA HIS 5 HA HIS 5 -46.936 -10.236 16.844 25 HB2 HIS 5 2HB HIS 5 -47.236 -9.737 19.237 26 HB3 HIS 5 3HB HIS 5 -45.982 -8.485 19.138 27 HD1 HIS 5 1HD HIS 5 -46.772 -6.181 18.678 28 HD2 HIS 5 2HD HIS 5 -49.573 -9.061 17.524 29 HE1 HIS 5 1HE HIS 5 -48.845 -4.907 17.975 30 HE2 HIS 5 2HE HIS 5 -50.538 -6.659 17.275 31 H HIS 6 HN HIS 6 -46.520 -9.453 14.866 32 HA HIS 6 HA HIS 6 -44.401 -7.372 14.661 33 HB2 HIS 6 2HB HIS 6 -44.152 -8.060 12.298 34 HB3 HIS 6 3HB HIS 6 -43.766 -9.353 13.448 35 HD1 HIS 6 1HD HIS 6 -45.161 -11.470 13.386 36 HD2 HIS 6 2HD HIS 6 -46.528 -8.517 10.765 37 HE1 HIS 6 1HE HIS 6 -46.857 -12.596 11.875 38 HE2 HIS 6 2HE HIS 6 -47.688 -10.794 10.294 39 H HIS 7 HN HIS 7 -45.020 -5.412 14.262 40 HA HIS 7 HA HIS 7 -46.891 -4.868 12.111 41 HB2 HIS 7 2HB HIS 7 -47.684 -4.475 14.954 42 HB3 HIS 7 3HB HIS 7 -48.012 -3.128 13.846 43 HD1 HIS 7 1HD HIS 7 -49.382 -3.911 11.574 44 HD2 HIS 7 2HD HIS 7 -49.647 -6.364 14.947 45 HE1 HIS 7 1HE HIS 7 -51.432 -5.357 11.237 46 HE2 HIS 7 2HE HIS 7 -51.586 -6.848 13.282 47 H HIS 8 HN HIS 8 -46.007 -3.241 10.999 48 HA HIS 8 HA HIS 8 -44.298 -1.325 12.510 49 HB2 HIS 8 2HB HIS 8 -44.093 -2.512 9.764 50 HB3 HIS 8 3HB HIS 8 -43.492 -0.864 10.026 51 HD1 HIS 8 1HD HIS 8 -41.089 -0.799 10.533 52 HD2 HIS 8 2HD HIS 8 -42.875 -4.300 11.946 53 HE1 HIS 8 1HE HIS 8 -39.234 -2.159 11.591 54 HE2 HIS 8 2HE HIS 8 -40.324 -4.280 12.458 55 H HIS 9 HN HIS 9 -45.230 0.587 12.827 56 HA HIS 9 HA HIS 9 -47.212 1.472 10.815 57 HB2 HIS 9 2HB HIS 9 -48.008 3.073 12.451 58 HB3 HIS 9 3HB HIS 9 -48.015 1.433 13.124 59 HD1 HIS 9 1HD HIS 9 -46.309 0.922 15.060 60 HD2 HIS 9 2HD HIS 9 -46.408 4.904 13.795 61 HE1 HIS 9 1HE HIS 9 -45.123 2.268 16.850 62 HE2 HIS 9 2HE HIS 9 -45.190 4.680 16.078 63 H HIS 10 HN HIS 10 -45.978 2.228 9.169 64 HA HIS 10 HA HIS 10 -43.925 4.259 9.813 65 HB2 HIS 10 2HB HIS 10 -43.646 2.292 8.133 66 HB3 HIS 10 3HB HIS 10 -44.645 3.281 7.053 67 HD1 HIS 10 1HD HIS 10 -43.243 4.548 5.458 68 HD2 HIS 10 2HD HIS 10 -41.381 4.122 9.174 69 HE1 HIS 10 1HE HIS 10 -40.997 5.704 5.261 70 HE2 HIS 10 2HE HIS 10 -39.869 5.443 7.519 71 H SER 11 HN SER 11 -44.902 6.143 10.277 72 HA SER 11 HA SER 11 -47.449 6.866 9.190 73 HB2 SER 11 2HB SER 11 -46.855 9.110 10.292 74 HB3 SER 11 3HB SER 11 -46.945 7.678 11.346 75 HG SER 11 HG SER 11 -45.060 8.945 11.725 76 H SER 12 HN SER 12 -48.014 7.962 7.446 77 HA SER 12 HA SER 12 -45.923 8.921 5.631 78 HB2 SER 12 2HB SER 12 -48.949 9.044 5.350 79 HB3 SER 12 3HB SER 12 -47.739 9.249 4.061 80 HG SER 12 HG SER 12 -48.643 7.133 4.106 81 H GLY 13 HN GLY 13 -45.224 10.965 5.530 82 HA2 GLY 13 1HA GLY 13 -47.035 13.125 6.396 83 HA3 GLY 13 2HA GLY 13 -45.503 12.932 7.279 84 H ARG 14 HN ARG 14 -47.014 13.759 4.209 85 HA ARG 14 HA ARG 14 -44.377 14.553 3.126 86 HB2 ARG 14 2HB ARG 14 -46.009 13.186 1.756 87 HB3 ARG 14 3HB ARG 14 -47.065 14.618 1.729 88 HG2 ARG 14 2HG ARG 14 -45.327 15.907 0.611 89 HG3 ARG 14 3HG ARG 14 -44.220 14.514 0.688 90 HD2 ARG 14 2HD ARG 14 -45.055 14.421 -1.485 91 HD3 ARG 14 3HD ARG 14 -46.059 13.247 -0.607 92 HE ARG 14 HE ARG 14 -47.700 15.246 -0.414 93 HH11 ARG 14 2HH1 ARG 14 -45.509 14.664 -3.110 94 HH12 ARG 14 1HH1 ARG 14 -46.550 15.427 -4.291 95 HH21 ARG 14 2HH2 ARG 14 -49.066 16.232 -1.967 96 HH22 ARG 14 1HH2 ARG 14 -48.569 16.316 -3.643 97 H GLU 15 HN GLU 15 -43.774 16.471 3.857 98 HA GLU 15 HA GLU 15 -45.551 18.759 3.283 99 HB2 GLU 15 2HB GLU 15 -45.923 18.146 5.664 100 HB3 GLU 15 3HB GLU 15 -44.180 18.338 5.962 101 HG2 GLU 15 2HG GLU 15 -45.538 20.273 6.704 102 HG3 GLU 15 3HG GLU 15 -44.296 20.692 5.504 103 HE2 GLU 15 2HE GLU 15 -48.113 21.098 4.500 104 H ASN 16 HN ASN 16 -44.293 20.814 3.322 105 HA ASN 16 HA ASN 16 -41.827 20.490 1.898 106 HB2 ASN 16 2HB ASN 16 -43.096 22.930 3.196 107 HB3 ASN 16 3HB ASN 16 -41.694 22.975 2.105 108 HD21 ASN 16 1HD2 ASN 16 -45.166 22.414 2.365 109 HD22 ASN 16 2HD2 ASN 16 -45.507 22.516 0.650 110 H LEU 17 HN LEU 17 -40.038 19.696 2.899 111 HA LEU 17 HA LEU 17 -39.547 20.255 5.696 112 HB2 LEU 17 2HB LEU 17 -37.841 18.964 3.560 113 HB3 LEU 17 3HB LEU 17 -37.314 19.187 5.245 114 HG LEU 17 HG LEU 17 -39.525 17.885 5.791 115 HD11 LEU 17 1HD1 LEU 17 -40.078 16.181 4.108 116 HD12 LEU 17 2HD1 LEU 17 -40.375 17.824 3.497 117 HD13 LEU 17 3HD1 LEU 17 -38.927 16.928 2.977 118 HD21 LEU 17 3HD2 LEU 17 -37.252 17.143 6.319 119 HD22 LEU 17 1HD2 LEU 17 -38.251 15.784 5.756 120 HD23 LEU 17 2HD2 LEU 17 -37.062 16.524 4.661 121 H TYR 18 HN TYR 18 -39.608 22.497 5.746 122 HA TYR 18 HA TYR 18 -37.043 23.756 4.913 123 HB2 TYR 18 2HB TYR 18 -38.853 24.419 3.357 124 HB3 TYR 18 3HB TYR 18 -39.827 24.968 4.731 125 HD1 TYR 18 1HD TYR 18 -36.569 25.611 2.997 126 HD2 TYR 18 2HD TYR 18 -39.679 27.195 5.441 127 HE1 TYR 18 1HE TYR 18 -35.575 27.851 2.809 128 HE2 TYR 18 2HE TYR 18 -38.684 29.432 5.263 129 HH TYR 18 HH TYR 18 -37.023 30.705 4.390 130 H PHE 19 HN PHE 19 -38.976 22.715 7.345 131 HA PHE 19 HA PHE 19 -38.848 25.112 9.034 132 HB2 PHE 19 2HB PHE 19 -39.799 22.330 9.780 133 HB3 PHE 19 3HB PHE 19 -40.159 23.856 10.605 134 HD1 PHE 19 2HD PHE 19 -41.154 25.689 8.777 135 HD2 PHE 19 1HD PHE 19 -41.581 21.453 8.613 136 HE1 PHE 19 2HE PHE 19 -43.167 25.946 7.396 137 HE2 PHE 19 1HE PHE 19 -43.593 21.710 7.225 138 HZ PHE 19 HZ PHE 19 -44.387 23.957 6.613 139 H GLN 20 HN GLN 20 -36.376 24.809 8.575 140 HA GLN 20 HA GLN 20 -35.247 23.905 11.112 141 HB2 GLN 20 2HB GLN 20 -35.289 21.964 9.273 142 HB3 GLN 20 3HB GLN 20 -33.856 22.842 8.684 143 HG2 GLN 20 2HG GLN 20 -33.069 21.126 10.116 144 HG3 GLN 20 3HG GLN 20 -32.914 22.651 11.015 145 HE21 GLN 20 1HE2 GLN 20 -34.229 23.047 12.808 146 HE22 GLN 20 2HE2 GLN 20 -35.168 21.780 13.572 147 H GLY 21 HN GLY 21 -34.616 26.049 11.462 148 HA2 GLY 21 1HA GLY 21 -33.020 27.265 9.253 149 HA3 GLY 21 2HA GLY 21 -34.110 28.179 10.318 150 H HIS 22 HN HIS 22 -32.050 25.652 11.623 151 HA HIS 22 HA HIS 22 -29.957 27.596 12.287 152 HB2 HIS 22 2HB HIS 22 -31.867 26.496 14.298 153 HB3 HIS 22 3HB HIS 22 -30.154 26.577 14.754 154 HD1 HIS 22 1HD HIS 22 -33.142 28.544 14.880 155 HD2 HIS 22 2HD HIS 22 -29.112 29.359 14.141 156 HE1 HIS 22 1HE HIS 22 -32.843 31.035 15.250 157 HE2 HIS 22 2HE HIS 22 -30.393 31.520 14.802 158 H MET 23 HN MET 23 -28.314 26.569 11.427 159 HA MET 23 HA MET 23 -27.858 23.762 12.310 160 HB2 MET 23 2HB MET 23 -27.308 25.063 9.635 161 HB3 MET 23 3HB MET 23 -26.500 23.566 10.157 162 HG2 MET 23 2HG MET 23 -28.297 22.896 8.788 163 HG3 MET 23 3HG MET 23 -28.798 22.562 10.454 164 HE1 MET 23 3HE MET 23 -29.158 25.003 7.384 165 HE2 MET 23 1HE MET 23 -30.305 26.207 8.015 166 HE3 MET 23 2HE MET 23 -28.669 26.095 8.703 167 H ALA 24 HN ALA 24 -26.245 23.680 13.700 168 HA ALA 24 HA ALA 24 -23.723 25.010 13.025 169 HB1 ALA 24 1HB ALA 24 -23.480 26.062 15.239 170 HB2 ALA 24 2HB ALA 24 -24.874 26.726 14.355 171 HB3 ALA 24 3HB ALA 24 -25.129 25.546 15.663 172 H ALA 25 HN ALA 25 -22.697 23.063 12.827 173 HA ALA 25 HA ALA 25 -22.408 21.537 15.342 174 HB1 ALA 25 1HB ALA 25 -22.722 19.400 14.160 175 HB2 ALA 25 2HB ALA 25 -24.188 20.406 14.084 176 HB3 ALA 25 3HB ALA 25 -23.116 20.285 12.668 177 H ARG 26 HN ARG 26 -20.592 20.018 15.279 178 HA ARG 26 HA ARG 26 -18.552 20.834 13.274 179 HB2 ARG 26 2HB ARG 26 -16.853 20.448 15.041 180 HB3 ARG 26 3HB ARG 26 -17.944 21.816 15.369 181 HG2 ARG 26 2HG ARG 26 -19.282 20.089 16.778 182 HG3 ARG 26 3HG ARG 26 -17.775 19.143 16.731 183 HD2 ARG 26 2HD ARG 26 -18.202 21.926 17.848 184 HD3 ARG 26 3HD ARG 26 -17.707 20.459 18.721 185 HE ARG 26 HE ARG 26 -15.584 20.573 17.379 186 HH11 ARG 26 2HH1 ARG 26 -17.544 23.449 17.926 187 HH12 ARG 26 1HH1 ARG 26 -16.200 24.554 17.745 188 HH21 ARG 26 2HH2 ARG 26 -13.839 22.016 17.136 189 HH22 ARG 26 1HH2 ARG 26 -14.095 23.739 17.297 190 H ILE 27 HN ILE 27 -17.888 19.258 12.036 191 HA ILE 27 HA ILE 27 -19.051 16.625 12.568 192 HB ILE 27 HB ILE 27 -17.765 17.877 10.118 193 HG12 ILE 27 2HG1 ILE 27 -20.078 17.336 9.170 194 HG13 ILE 27 3HG1 ILE 27 -20.576 17.037 10.852 195 HG21 ILE 27 1HG2 ILE 27 -18.302 15.817 8.878 196 HG22 ILE 27 2HG2 ILE 27 -17.133 15.507 10.182 197 HG23 ILE 27 3HG2 ILE 27 -18.841 15.050 10.390 198 HD11 ILE 27 3HD1 ILE 27 -19.483 19.638 9.756 199 HD12 ILE 27 1HD1 ILE 27 -21.186 19.308 10.132 200 HD13 ILE 27 2HD1 ILE 27 -19.983 19.339 11.438 201 H THR 28 HN THR 28 -17.994 14.940 13.314 202 HA THR 28 HA THR 28 -15.051 14.961 13.348 203 HB THR 28 HB THR 28 -16.974 12.847 14.398 204 HG1 THR 28 1HG THR 28 -16.593 13.898 16.420 205 HG21 THR 28 3HG2 THR 28 -14.055 13.425 15.021 206 HG22 THR 28 1HG2 THR 28 -15.050 12.165 15.787 207 HG23 THR 28 2HG2 THR 28 -14.665 12.062 14.054 208 H GLY 29 HN GLY 29 -13.992 14.222 11.601 209 HA2 GLY 29 1HA GLY 29 -15.357 12.087 10.028 210 HA3 GLY 29 2HA GLY 29 -14.413 13.403 9.293 211 H GLU 30 HN GLU 30 -14.051 10.560 8.952 212 HA GLU 30 HA GLU 30 -11.283 10.368 10.033 213 HB2 GLU 30 2HB GLU 30 -13.202 8.110 9.373 214 HB3 GLU 30 3HB GLU 30 -11.511 7.922 9.898 215 HG2 GLU 30 2HG GLU 30 -12.108 9.074 12.027 216 HG3 GLU 30 3HG GLU 30 -13.806 9.075 11.501 217 HE2 GLU 30 2HE GLU 30 -14.200 5.765 12.382 218 HA PRO 31 HA PRO 31 -11.040 10.777 5.451 219 HB2 PRO 31 2HB PRO 31 -8.547 11.991 5.475 220 HB3 PRO 31 3HB PRO 31 -10.095 12.869 5.697 221 HG2 PRO 31 2HG PRO 31 -8.184 11.906 7.771 222 HG3 PRO 31 3HG PRO 31 -8.988 13.505 7.641 223 HD2 PRO 31 2HD PRO 31 -9.859 11.552 9.317 224 HD3 PRO 31 3HD PRO 31 -10.999 12.640 8.468 225 H SER 32 HN SER 32 -10.816 8.621 4.959 226 HA SER 32 HA SER 32 -8.275 7.309 5.747 227 HB2 SER 32 2HB SER 32 -10.841 6.065 4.695 228 HB3 SER 32 3HB SER 32 -9.454 5.221 5.425 229 HG SER 32 HG SER 32 -11.178 5.554 6.913 230 H LYS 33 HN LYS 33 -6.737 7.521 4.239 231 HA LYS 33 HA LYS 33 -7.459 7.286 1.397 232 HB2 LYS 33 2HB LYS 33 -4.924 7.886 2.903 233 HB3 LYS 33 3HB LYS 33 -4.860 7.363 1.202 234 HG2 LYS 33 2HG LYS 33 -6.346 9.252 0.603 235 HG3 LYS 33 3HG LYS 33 -6.294 9.796 2.298 236 HD2 LYS 33 2HD LYS 33 -3.937 10.203 2.176 237 HD3 LYS 33 3HD LYS 33 -3.826 9.416 0.583 238 HE2 LYS 33 2HE LYS 33 -3.754 11.856 0.377 239 HE3 LYS 33 3HE LYS 33 -5.203 11.184 -0.402 240 HZ1 LYS 33 3HZ LYS 33 -5.112 12.435 2.257 241 HZ2 LYS 33 1HZ LYS 33 -5.711 13.131 0.888 242 HZ3 LYS 33 2HZ LYS 33 -6.457 11.811 1.535 243 H LYS 34 HN LYS 34 -5.485 5.834 0.281 244 HA LYS 34 HA LYS 34 -6.172 3.150 1.322 245 HB2 LYS 34 2HB LYS 34 -6.630 3.841 -1.069 246 HB3 LYS 34 3HB LYS 34 -4.867 3.872 -1.312 247 HG2 LYS 34 2HG LYS 34 -4.687 1.530 -0.934 248 HG3 LYS 34 3HG LYS 34 -6.364 1.428 -0.347 249 HD2 LYS 34 2HD LYS 34 -5.474 2.122 -3.165 250 HD3 LYS 34 3HD LYS 34 -6.222 0.595 -2.635 251 HE2 LYS 34 2HE LYS 34 -8.279 1.740 -2.068 252 HE3 LYS 34 3HE LYS 34 -7.539 3.321 -2.400 253 HZ1 LYS 34 3HZ LYS 34 -8.008 1.199 -4.381 254 HZ2 LYS 34 1HZ LYS 34 -8.899 2.577 -4.218 255 HZ3 LYS 34 2HZ LYS 34 -7.322 2.667 -4.690 256 H ALA 35 HN ALA 35 -4.780 2.225 2.623 257 HA ALA 35 HA ALA 35 -1.901 2.889 2.375 258 HB1 ALA 35 1HB ALA 35 -1.693 1.821 4.588 259 HB2 ALA 35 2HB ALA 35 -2.922 3.108 4.605 260 HB3 ALA 35 3HB ALA 35 -3.422 1.400 4.547 261 H VAL 36 HN VAL 36 -0.344 1.046 2.654 262 HA VAL 36 HA VAL 36 -1.140 -1.060 0.785 263 HB VAL 36 HB VAL 36 1.514 -0.778 2.229 264 HG11 VAL 36 1HG1 VAL 36 2.387 -2.054 0.316 265 HG12 VAL 36 2HG1 VAL 36 1.109 -2.949 1.169 266 HG13 VAL 36 3HG1 VAL 36 0.750 -2.137 -0.374 267 HG21 VAL 36 3HG2 VAL 36 1.009 1.321 1.070 268 HG22 VAL 36 1HG2 VAL 36 2.329 0.448 0.258 269 HG23 VAL 36 2HG2 VAL 36 0.691 0.422 -0.434 270 H SER 37 HN SER 37 -2.092 -2.838 1.442 271 HA SER 37 HA SER 37 -1.624 -3.755 4.233 272 HB2 SER 37 2HB SER 37 -3.963 -3.212 3.664 273 HB3 SER 37 3HB SER 37 -3.903 -4.363 2.307 274 HG SER 37 HG SER 37 -4.847 -5.268 4.200 275 H ASP 38 HN ASP 38 -1.031 -5.880 4.654 276 HA ASP 38 HA ASP 38 0.349 -7.181 2.432 277 HB2 ASP 38 2HB ASP 38 1.249 -8.684 4.092 278 HB3 ASP 38 3HB ASP 38 1.370 -7.015 4.690 279 HD2 ASP 38 2HD ASP 38 -0.506 -7.767 7.461 280 H ARG 39 HN ARG 39 -2.804 -7.147 3.340 281 HA ARG 39 HA ARG 39 -3.298 -10.011 3.332 282 HB2 ARG 39 2HB ARG 39 -5.252 -7.712 3.071 283 HB3 ARG 39 3HB ARG 39 -5.649 -9.411 3.425 284 HG2 ARG 39 2HG ARG 39 -4.084 -9.117 5.465 285 HG3 ARG 39 3HG ARG 39 -4.286 -7.372 5.171 286 HD2 ARG 39 2HD ARG 39 -5.910 -8.093 6.803 287 HD3 ARG 39 3HD ARG 39 -6.745 -7.678 5.290 288 HE ARG 39 HE ARG 39 -6.118 -10.467 5.343 289 HH11 ARG 39 2HH1 ARG 39 -8.282 -8.083 6.776 290 HH12 ARG 39 1HH1 ARG 39 -9.565 -9.236 7.063 291 HH21 ARG 39 2HH2 ARG 39 -7.786 -11.961 5.715 292 HH22 ARG 39 1HH2 ARG 39 -9.282 -11.440 6.459 293 H LEU 40 HN LEU 40 -2.287 -8.054 0.967 294 HA LEU 40 HA LEU 40 -3.936 -9.107 -1.200 295 HB2 LEU 40 2HB LEU 40 -1.233 -7.732 -1.238 296 HB3 LEU 40 3HB LEU 40 -2.279 -8.042 -2.644 297 HG LEU 40 HG LEU 40 -2.923 -6.215 -0.311 298 HD11 LEU 40 1HD1 LEU 40 -2.674 -4.395 -1.953 299 HD12 LEU 40 2HD1 LEU 40 -1.164 -5.316 -1.768 300 HD13 LEU 40 3HD1 LEU 40 -2.200 -5.581 -3.190 301 HD21 LEU 40 3HD2 LEU 40 -4.925 -7.267 -1.267 302 HD22 LEU 40 1HD2 LEU 40 -4.869 -5.534 -1.660 303 HD23 LEU 40 2HD2 LEU 40 -4.433 -6.738 -2.894 304 H ILE 41 HN ILE 41 -1.362 -10.145 0.792 305 HA ILE 41 HA ILE 41 -0.115 -11.938 -1.109 306 HB ILE 41 HB ILE 41 0.002 -11.938 1.930 307 HG12 ILE 41 2HG1 ILE 41 0.765 -9.818 1.071 308 HG13 ILE 41 3HG1 ILE 41 2.165 -10.775 1.612 309 HG21 ILE 41 1HG2 ILE 41 2.087 -13.224 1.636 310 HG22 ILE 41 2HG2 ILE 41 0.692 -14.080 0.941 311 HG23 ILE 41 3HG2 ILE 41 1.835 -13.227 -0.125 312 HD11 ILE 41 3HD1 ILE 41 1.254 -10.417 -1.250 313 HD12 ILE 41 1HD1 ILE 41 2.644 -9.608 -0.496 314 HD13 ILE 41 2HD1 ILE 41 2.656 -11.372 -0.708 315 H GLY 42 HN GLY 42 -0.773 -13.876 -1.724 316 HA2 GLY 42 1HA GLY 42 -1.692 -16.027 -1.330 317 HA3 GLY 42 2HA GLY 42 -2.583 -15.381 0.066 318 H ARG 43 HN ARG 43 -2.918 -13.108 -2.279 319 HA ARG 43 HA ARG 43 -5.553 -14.183 -3.063 320 HB2 ARG 43 2HB ARG 43 -4.304 -11.463 -3.579 321 HB3 ARG 43 3HB ARG 43 -5.987 -11.933 -3.919 322 HG2 ARG 43 2HG ARG 43 -4.752 -11.908 -1.155 323 HG3 ARG 43 3HG ARG 43 -5.679 -10.558 -1.853 324 HD2 ARG 43 2HD ARG 43 -7.634 -12.028 -2.104 325 HD3 ARG 43 3HD ARG 43 -6.709 -13.380 -1.414 326 HE ARG 43 HE ARG 43 -6.526 -11.950 0.665 327 HH11 ARG 43 2HH1 ARG 43 -9.158 -11.484 -1.638 328 HH12 ARG 43 1HH1 ARG 43 -10.270 -10.880 -0.433 329 HH21 ARG 43 2HH2 ARG 43 -7.991 -11.182 2.231 330 HH22 ARG 43 1HH2 ARG 43 -9.609 -10.708 1.761 331 H LYS 44 HN LYS 44 -6.231 -14.242 -5.248 332 HA LYS 44 HA LYS 44 -4.066 -14.907 -7.109 333 HB2 LYS 44 2HB LYS 44 -6.102 -16.312 -6.860 334 HB3 LYS 44 3HB LYS 44 -7.084 -14.948 -7.448 335 HG2 LYS 44 2HG LYS 44 -4.838 -15.927 -9.152 336 HG3 LYS 44 3HG LYS 44 -6.317 -16.910 -9.041 337 HD2 LYS 44 2HD LYS 44 -6.295 -13.965 -9.756 338 HD3 LYS 44 3HD LYS 44 -6.266 -15.280 -10.955 339 HE2 LYS 44 2HE LYS 44 -8.424 -14.864 -8.859 340 HE3 LYS 44 3HE LYS 44 -8.545 -14.381 -10.566 341 HZ1 LYS 44 3HZ LYS 44 -8.189 -17.137 -9.586 342 HZ2 LYS 44 1HZ LYS 44 -9.595 -16.498 -10.163 343 HZ3 LYS 44 2HZ LYS 44 -8.302 -16.689 -11.169 344 H GLY 45 HN GLY 45 -3.580 -13.816 -8.966 345 HA2 GLY 45 1HA GLY 45 -5.076 -11.297 -9.442 346 HA3 GLY 45 2HA GLY 45 -3.298 -11.321 -9.401 347 H VAL 46 HN VAL 46 -4.698 -10.419 -11.614 348 HA VAL 46 HA VAL 46 -4.258 -12.634 -13.558 349 HB VAL 46 HB VAL 46 -6.627 -11.881 -13.381 350 HG11 VAL 46 1HG1 VAL 46 -7.285 -9.664 -14.203 351 HG12 VAL 46 2HG1 VAL 46 -6.241 -9.549 -12.769 352 HG13 VAL 46 3HG1 VAL 46 -5.572 -9.226 -14.386 353 HG21 VAL 46 3HG2 VAL 46 -5.786 -12.823 -15.470 354 HG22 VAL 46 1HG2 VAL 46 -7.019 -11.580 -15.785 355 HG23 VAL 46 2HG2 VAL 46 -5.297 -11.200 -16.015 356 H VAL 47 HN VAL 47 -3.085 -12.203 -15.409 357 HA VAL 47 HA VAL 47 -1.269 -9.920 -15.115 358 HB VAL 47 HB VAL 47 -1.274 -12.168 -17.163 359 HG11 VAL 47 1HG1 VAL 47 1.063 -11.515 -17.561 360 HG12 VAL 47 2HG1 VAL 47 -0.057 -10.178 -17.912 361 HG13 VAL 47 3HG1 VAL 47 0.884 -10.178 -16.401 362 HG21 VAL 47 3HG2 VAL 47 -1.020 -13.016 -14.878 363 HG22 VAL 47 1HG2 VAL 47 0.501 -13.172 -15.788 364 HG23 VAL 47 2HG2 VAL 47 0.310 -11.868 -14.593 365 H MET 48 HN MET 48 -1.888 -8.029 -15.899 366 HA MET 48 HA MET 48 -3.573 -7.917 -18.322 367 HB2 MET 48 2HB MET 48 -2.618 -5.751 -16.423 368 HB3 MET 48 3HB MET 48 -3.710 -5.502 -17.807 369 HG2 MET 48 2HG MET 48 -4.360 -7.370 -15.526 370 HG3 MET 48 3HG MET 48 -4.763 -5.645 -15.493 371 HE1 MET 48 3HE MET 48 -5.804 -9.169 -16.624 372 HE2 MET 48 1HE MET 48 -6.776 -8.907 -18.087 373 HE3 MET 48 2HE MET 48 -5.018 -8.660 -18.137 374 H GLU 49 HN GLU 49 -0.334 -7.218 -17.151 375 HA GLU 49 HA GLU 49 0.467 -6.746 -19.977 376 HB2 GLU 49 2HB GLU 49 0.523 -4.591 -18.838 377 HB3 GLU 49 3HB GLU 49 1.494 -5.290 -17.520 378 HG2 GLU 49 2HG GLU 49 2.871 -3.974 -19.046 379 HG3 GLU 49 3HG GLU 49 3.337 -5.689 -19.061 380 HE2 GLU 49 2HE GLU 49 2.314 -4.028 -22.427 381 H ALA 50 HN ALA 50 2.313 -7.784 -20.603 382 HA ALA 50 HA ALA 50 2.861 -10.214 -19.307 383 HB1 ALA 50 1HB ALA 50 4.688 -10.452 -20.937 384 HB2 ALA 50 2HB ALA 50 3.211 -9.827 -21.703 385 HB3 ALA 50 3HB ALA 50 4.557 -8.723 -21.333 386 H ILE 51 HN ILE 51 4.300 -10.928 -17.888 387 HA ILE 51 HA ILE 51 6.022 -8.890 -16.596 388 HB ILE 51 HB ILE 51 5.197 -11.667 -15.648 389 HG12 ILE 51 2HG1 ILE 51 4.224 -8.971 -14.669 390 HG13 ILE 51 3HG1 ILE 51 3.347 -9.973 -15.850 391 HG21 ILE 51 1HG2 ILE 51 6.084 -10.942 -13.469 392 HG22 ILE 51 2HG2 ILE 51 7.345 -10.918 -14.724 393 HG23 ILE 51 3HG2 ILE 51 6.591 -9.396 -14.190 394 HD11 ILE 51 3HD1 ILE 51 4.035 -10.767 -13.009 395 HD12 ILE 51 1HD1 ILE 51 2.432 -10.263 -13.584 396 HD13 ILE 51 2HD1 ILE 51 3.157 -11.766 -14.192 397 H SER 52 HN SER 52 8.100 -8.861 -17.241 398 HA SER 52 HA SER 52 9.352 -11.491 -17.877 399 HB2 SER 52 2HB SER 52 10.385 -9.018 -19.195 400 HB3 SER 52 3HB SER 52 10.295 -10.689 -19.803 401 HG SER 52 HG SER 52 8.806 -9.280 -20.848 402 HA PRO 53 HA PRO 53 12.532 -10.574 -15.033 403 HB2 PRO 53 2HB PRO 53 14.718 -10.927 -17.026 404 HB3 PRO 53 3HB PRO 53 14.258 -11.934 -15.615 405 HG2 PRO 53 2HG PRO 53 13.870 -12.693 -18.170 406 HG3 PRO 53 3HG PRO 53 12.856 -13.263 -16.805 407 HD2 PRO 53 2HD PRO 53 12.307 -11.212 -18.938 408 HD3 PRO 53 3HD PRO 53 11.186 -12.338 -18.113 409 H GLN 54 HN GLN 54 12.932 -8.978 -18.188 410 HA GLN 54 HA GLN 54 14.716 -6.963 -17.036 411 HB2 GLN 54 2HB GLN 54 15.124 -7.771 -19.298 412 HB3 GLN 54 3HB GLN 54 13.500 -7.245 -19.801 413 HG2 GLN 54 2HG GLN 54 14.103 -4.921 -19.438 414 HG3 GLN 54 3HG GLN 54 15.699 -5.405 -18.822 415 HE21 GLN 54 1HE2 GLN 54 14.937 -3.671 -21.105 416 HE22 GLN 54 2HE2 GLN 54 15.713 -4.377 -22.507 417 H ASN 55 HN ASN 55 11.344 -7.124 -18.282 418 HA ASN 55 HA ASN 55 10.974 -4.403 -17.115 419 HB2 ASN 55 2HB ASN 55 10.985 -4.385 -19.603 420 HB3 ASN 55 3HB ASN 55 9.621 -5.525 -19.592 421 HD21 ASN 55 1HD2 ASN 55 7.548 -4.796 -19.154 422 HD22 ASN 55 2HD2 ASN 55 7.154 -3.099 -18.982 423 H SER 56 HN SER 56 9.449 -4.221 -15.631 424 HA SER 56 HA SER 56 8.182 -6.549 -14.599 425 HB2 SER 56 2HB SER 56 7.259 -3.723 -14.050 426 HB3 SER 56 3HB SER 56 7.309 -5.118 -12.945 427 HG SER 56 HG SER 56 9.002 -3.610 -12.552 428 H GLY 57 HN GLY 57 5.970 -7.094 -14.450 429 HA2 GLY 57 1HA GLY 57 4.393 -6.108 -16.768 430 HA3 GLY 57 2HA GLY 57 4.158 -7.656 -15.925 431 H LEU 58 HN LEU 58 1.878 -6.435 -16.231 432 HA LEU 58 HA LEU 58 1.443 -4.964 -13.676 433 HB2 LEU 58 2HB LEU 58 0.044 -4.632 -16.342 434 HB3 LEU 58 3HB LEU 58 -0.482 -3.872 -14.822 435 HG LEU 58 HG LEU 58 2.168 -3.397 -16.201 436 HD11 LEU 58 1HD1 LEU 58 1.236 -1.184 -16.748 437 HD12 LEU 58 2HD1 LEU 58 0.276 -2.493 -17.476 438 HD13 LEU 58 3HD1 LEU 58 -0.316 -1.660 -16.018 439 HD21 LEU 58 3HD2 LEU 58 2.269 -3.135 -13.761 440 HD22 LEU 58 1HD2 LEU 58 2.403 -1.560 -14.577 441 HD23 LEU 58 2HD2 LEU 58 0.868 -2.040 -13.816 442 H VAL 59 HN VAL 59 0.201 -5.937 -12.271 443 HA VAL 59 HA VAL 59 -1.797 -7.929 -13.241 444 HB VAL 59 HB VAL 59 -0.659 -7.672 -10.437 445 HG11 VAL 59 1HG1 VAL 59 -1.543 -9.938 -10.117 446 HG12 VAL 59 2HG1 VAL 59 -2.822 -8.793 -10.577 447 HG13 VAL 59 3HG1 VAL 59 -2.166 -9.926 -11.782 448 HG21 VAL 59 3HG2 VAL 59 1.161 -8.215 -11.975 449 HG22 VAL 59 1HG2 VAL 59 0.775 -9.603 -10.934 450 HG23 VAL 59 2HG2 VAL 59 0.218 -9.579 -12.622 451 H LYS 60 HN LYS 60 -3.856 -7.920 -11.997 452 HA LYS 60 HA LYS 60 -4.361 -5.246 -10.798 453 HB2 LYS 60 2HB LYS 60 -5.234 -5.357 -13.126 454 HB3 LYS 60 3HB LYS 60 -6.268 -6.723 -12.637 455 HG2 LYS 60 2HG LYS 60 -7.515 -5.345 -11.136 456 HG3 LYS 60 3HG LYS 60 -6.369 -3.996 -11.326 457 HD2 LYS 60 2HD LYS 60 -7.008 -3.801 -13.700 458 HD3 LYS 60 3HD LYS 60 -8.173 -5.130 -13.487 459 HE2 LYS 60 2HE LYS 60 -9.399 -3.812 -11.828 460 HE3 LYS 60 3HE LYS 60 -8.218 -2.494 -11.982 461 HZ1 LYS 60 3HZ LYS 60 -9.981 -3.474 -14.124 462 HZ2 LYS 60 1HZ LYS 60 -10.188 -2.078 -13.275 463 HZ3 LYS 60 2HZ LYS 60 -8.883 -2.250 -14.267 464 H VAL 61 HN VAL 61 -5.019 -5.382 -8.804 465 HA VAL 61 HA VAL 61 -6.344 -7.899 -7.937 466 HB VAL 61 HB VAL 61 -4.921 -5.829 -6.216 467 HG11 VAL 61 1HG1 VAL 61 -5.073 -7.540 -4.456 468 HG12 VAL 61 2HG1 VAL 61 -6.683 -7.069 -5.046 469 HG13 VAL 61 3HG1 VAL 61 -5.957 -8.607 -5.571 470 HG21 VAL 61 3HG2 VAL 61 -3.334 -6.979 -7.693 471 HG22 VAL 61 1HG2 VAL 61 -3.114 -7.489 -6.002 472 HG23 VAL 61 2HG2 VAL 61 -3.960 -8.555 -7.148 473 H ASP 62 HN ASP 62 -8.464 -7.588 -8.144 474 HA ASP 62 HA ASP 62 -10.559 -6.846 -7.675 475 HB2 ASP 62 2HB ASP 62 -9.852 -6.736 -5.337 476 HB3 ASP 62 3HB ASP 62 -9.209 -5.099 -5.594 477 HD2 ASP 62 2HD ASP 62 -12.333 -3.697 -5.183 478 H GLY 63 HN GLY 63 -8.780 -3.792 -7.046 479 HA2 GLY 63 1HA GLY 63 -10.038 -2.718 -9.509 480 HA3 GLY 63 2HA GLY 63 -10.295 -1.892 -7.956 481 H GLU 64 HN GLU 64 -7.260 -3.181 -7.753 482 HA GLU 64 HA GLU 64 -6.072 -0.623 -8.708 483 HB2 GLU 64 2HB GLU 64 -5.168 -2.540 -6.535 484 HB3 GLU 64 3HB GLU 64 -4.286 -1.083 -7.048 485 HG2 GLU 64 2HG GLU 64 -7.055 -1.150 -5.832 486 HG3 GLU 64 3HG GLU 64 -5.553 -0.711 -4.990 487 HE2 GLU 64 2HE GLU 64 -7.409 2.072 -6.923 488 H THR 65 HN THR 65 -4.396 -0.640 -10.103 489 HA THR 65 HA THR 65 -3.485 -3.286 -11.069 490 HB THR 65 HB THR 65 -2.922 -0.545 -12.262 491 HG1 THR 65 1HG THR 65 -4.627 -1.125 -13.715 492 HG21 THR 65 3HG2 THR 65 -2.741 -3.353 -13.418 493 HG22 THR 65 1HG2 THR 65 -2.409 -1.846 -14.300 494 HG23 THR 65 2HG2 THR 65 -1.364 -2.329 -12.944 495 H TRP 66 HN TRP 66 -1.645 -4.076 -10.386 496 HA TRP 66 HA TRP 66 0.374 -2.201 -9.255 497 HB2 TRP 66 2HB TRP 66 -0.332 -5.048 -8.465 498 HB3 TRP 66 3HB TRP 66 1.096 -4.184 -7.877 499 HD1 TRP 66 1HD TRP 66 -2.727 -4.291 -7.474 500 HE1 TRP 66 1HE TRP 66 -3.405 -2.957 -5.398 501 HE3 TRP 66 3HE TRP 66 1.822 -2.229 -6.404 502 HZ2 TRP 66 2HZ TRP 66 -2.136 -1.229 -3.540 503 HZ3 TRP 66 3HZ TRP 66 2.017 -0.744 -4.448 504 HH2 TRP 66 2HH TRP 66 0.063 -0.254 -3.034 505 H ARG 67 HN ARG 67 2.629 -2.917 -9.464 506 HA ARG 67 HA ARG 67 3.061 -4.219 -12.060 507 HB2 ARG 67 2HB ARG 67 4.997 -3.024 -10.049 508 HB3 ARG 67 3HB ARG 67 5.463 -3.729 -11.616 509 HG2 ARG 67 2HG ARG 67 5.442 -1.376 -11.896 510 HG3 ARG 67 3HG ARG 67 3.991 -2.002 -12.713 511 HD2 ARG 67 2HD ARG 67 2.586 -1.322 -10.890 512 HD3 ARG 67 3HD ARG 67 3.995 -0.899 -9.894 513 HE ARG 67 HE ARG 67 4.322 0.716 -12.046 514 HH11 ARG 67 2HH1 ARG 67 1.519 0.028 -10.020 515 HH12 ARG 67 1HH1 ARG 67 0.844 1.633 -10.189 516 HH21 ARG 67 2HH2 ARG 67 3.452 2.814 -12.237 517 HH22 ARG 67 1HH2 ARG 67 1.942 3.214 -11.448 518 H ALA 68 HN ALA 68 4.674 -6.002 -12.217 519 HA ALA 68 HA ALA 68 4.982 -7.537 -9.727 520 HB1 ALA 68 1HB ALA 68 4.085 -9.593 -10.733 521 HB2 ALA 68 2HB ALA 68 2.850 -8.315 -10.648 522 HB3 ALA 68 3HB ALA 68 3.647 -8.682 -12.196 523 H THR 69 HN THR 69 6.670 -8.939 -9.682 524 HA THR 69 HA THR 69 8.272 -9.205 -12.168 525 HB THR 69 HB THR 69 10.337 -9.100 -10.697 526 HG1 THR 69 1HG THR 69 10.041 -8.021 -8.676 527 HG21 THR 69 3HG2 THR 69 8.647 -6.578 -10.825 528 HG22 THR 69 1HG2 THR 69 10.412 -6.636 -10.610 529 HG23 THR 69 2HG2 THR 69 9.684 -7.209 -12.127 530 H SER 70 HN SER 70 9.222 -11.208 -12.457 531 HA SER 70 HA SER 70 9.197 -13.147 -10.261 532 HB2 SER 70 2HB SER 70 6.892 -13.234 -11.339 533 HB3 SER 70 3HB SER 70 7.702 -13.776 -12.830 534 HG SER 70 HG SER 70 6.965 -15.524 -11.531 535 H GLY 71 HN GLY 71 10.366 -15.132 -10.864 536 HA2 GLY 71 1HA GLY 71 12.620 -14.530 -12.560 537 HA3 GLY 71 2HA GLY 71 12.266 -16.080 -11.763 538 H THR 72 HN THR 72 9.525 -16.079 -12.992 539 HA THR 72 HA THR 72 10.366 -17.119 -15.634 540 HB THR 72 HB THR 72 7.946 -18.076 -15.535 541 HG1 THR 72 1HG THR 72 7.205 -18.321 -13.356 542 HG21 THR 72 3HG2 THR 72 10.039 -19.051 -13.563 543 HG22 THR 72 1HG2 THR 72 8.685 -20.011 -14.199 544 HG23 THR 72 2HG2 THR 72 9.968 -19.452 -15.296 545 H VAL 73 HN VAL 73 9.393 -16.463 -17.550 546 HA VAL 73 HA VAL 73 8.185 -13.825 -17.479 547 HB VAL 73 HB VAL 73 9.740 -14.434 -19.278 548 HG11 VAL 73 1HG1 VAL 73 9.101 -16.010 -21.051 549 HG12 VAL 73 2HG1 VAL 73 9.214 -16.813 -19.468 550 HG13 VAL 73 3HG1 VAL 73 7.620 -16.415 -20.153 551 HG21 VAL 73 3HG2 VAL 73 8.055 -12.709 -19.681 552 HG22 VAL 73 1HG2 VAL 73 8.418 -13.605 -21.174 553 HG23 VAL 73 2HG2 VAL 73 6.920 -13.944 -20.276 554 H LEU 74 HN LEU 74 6.084 -13.288 -17.620 555 HA LEU 74 HA LEU 74 4.151 -15.545 -17.886 556 HB2 LEU 74 2HB LEU 74 3.961 -13.111 -16.088 557 HB3 LEU 74 3HB LEU 74 2.761 -14.418 -16.229 558 HG LEU 74 HG LEU 74 5.606 -14.813 -15.263 559 HD11 LEU 74 1HD1 LEU 74 4.647 -14.948 -13.003 560 HD12 LEU 74 2HD1 LEU 74 4.380 -13.346 -13.729 561 HD13 LEU 74 3HD1 LEU 74 3.048 -14.526 -13.658 562 HD21 LEU 74 3HD2 LEU 74 4.538 -16.803 -16.219 563 HD22 LEU 74 1HD2 LEU 74 4.739 -16.969 -14.459 564 HD23 LEU 74 2HD2 LEU 74 3.142 -16.580 -15.138 565 H ASP 75 HN ASP 75 2.565 -15.281 -19.338 566 HA ASP 75 HA ASP 75 2.673 -12.818 -20.942 567 HB2 ASP 75 2HB ASP 75 1.247 -15.467 -21.355 568 HB3 ASP 75 3HB ASP 75 1.204 -14.107 -22.497 569 HD2 ASP 75 2HD ASP 75 4.373 -16.442 -22.434 570 H VAL 76 HN VAL 76 0.612 -11.930 -21.796 571 HA VAL 76 HA VAL 76 -1.037 -11.099 -19.614 572 HB VAL 76 HB VAL 76 -1.588 -10.847 -22.593 573 HG11 VAL 76 1HG1 VAL 76 -2.898 -8.868 -21.943 574 HG12 VAL 76 2HG1 VAL 76 -3.518 -10.343 -21.168 575 HG13 VAL 76 3HG1 VAL 76 -2.535 -9.191 -20.233 576 HG21 VAL 76 3HG2 VAL 76 0.644 -9.995 -22.052 577 HG22 VAL 76 1HG2 VAL 76 -0.464 -8.663 -22.459 578 HG23 VAL 76 2HG2 VAL 76 -0.048 -8.984 -20.760 579 H GLY 77 HN GLY 77 -3.076 -11.691 -18.990 580 HA2 GLY 77 1HA GLY 77 -5.175 -12.759 -19.339 581 HA3 GLY 77 2HA GLY 77 -4.433 -13.783 -20.589 582 H GLU 78 HN GLU 78 -2.123 -13.921 -18.410 583 HA GLU 78 HA GLU 78 -3.033 -16.470 -17.383 584 HB2 GLU 78 2HB GLU 78 -0.519 -14.835 -17.023 585 HB3 GLU 78 3HB GLU 78 -0.788 -16.396 -16.213 586 HG2 GLU 78 2HG GLU 78 -0.740 -15.906 -19.193 587 HG3 GLU 78 3HG GLU 78 0.549 -16.656 -18.227 588 HE2 GLU 78 2HE GLU 78 -2.659 -18.824 -19.109 589 H GLU 79 HN GLU 79 -2.501 -16.979 -15.046 590 HA GLU 79 HA GLU 79 -3.565 -14.811 -13.294 591 HB2 GLU 79 2HB GLU 79 -4.040 -17.800 -13.042 592 HB3 GLU 79 3HB GLU 79 -4.695 -16.525 -11.987 593 HG2 GLU 79 2HG GLU 79 -5.923 -15.607 -13.945 594 HG3 GLU 79 3HG GLU 79 -5.346 -16.984 -14.908 595 HE2 GLU 79 2HE GLU 79 -8.342 -17.533 -12.395 596 H VAL 80 HN VAL 80 -2.521 -14.510 -11.340 597 HA VAL 80 HA VAL 80 -0.215 -16.316 -10.848 598 HB VAL 80 HB VAL 80 1.156 -14.344 -10.216 599 HG11 VAL 80 1HG1 VAL 80 1.631 -13.576 -12.499 600 HG12 VAL 80 2HG1 VAL 80 1.364 -15.333 -12.444 601 HG13 VAL 80 3HG1 VAL 80 0.083 -14.255 -13.048 602 HG21 VAL 80 3HG2 VAL 80 -0.655 -12.782 -9.685 603 HG22 VAL 80 1HG2 VAL 80 0.454 -12.085 -10.889 604 HG23 VAL 80 2HG2 VAL 80 -1.121 -12.730 -11.403 605 H SER 81 HN SER 81 0.607 -16.360 -8.728 606 HA SER 81 HA SER 81 -1.393 -15.587 -6.670 607 HB2 SER 81 2HB SER 81 1.001 -17.435 -6.389 608 HB3 SER 81 3HB SER 81 -0.380 -17.262 -5.279 609 HG SER 81 HG SER 81 -0.560 -19.109 -6.643 610 H VAL 82 HN VAL 82 -0.968 -13.816 -5.488 611 HA VAL 82 HA VAL 82 1.627 -12.534 -5.684 612 HB VAL 82 HB VAL 82 -0.704 -11.856 -3.858 613 HG11 VAL 82 1HG1 VAL 82 0.296 -9.613 -3.794 614 HG12 VAL 82 2HG1 VAL 82 1.418 -10.847 -3.175 615 HG13 VAL 82 3HG1 VAL 82 1.638 -10.185 -4.813 616 HG21 VAL 82 3HG2 VAL 82 -1.405 -11.868 -6.205 617 HG22 VAL 82 1HG2 VAL 82 -1.353 -10.210 -5.564 618 HG23 VAL 82 2HG2 VAL 82 -0.048 -10.795 -6.622 619 H LYS 83 HN LYS 83 3.332 -13.263 -4.595 620 HA LYS 83 HA LYS 83 2.834 -14.774 -2.101 621 HB2 LYS 83 2HB LYS 83 4.299 -15.453 -4.233 622 HB3 LYS 83 3HB LYS 83 5.547 -14.585 -3.308 623 HG2 LYS 83 2HG LYS 83 5.089 -16.034 -1.366 624 HG3 LYS 83 3HG LYS 83 3.885 -16.922 -2.329 625 HD2 LYS 83 2HD LYS 83 5.753 -17.365 -3.997 626 HD3 LYS 83 3HD LYS 83 6.872 -16.756 -2.754 627 HE2 LYS 83 2HE LYS 83 6.743 -19.186 -2.663 628 HE3 LYS 83 3HE LYS 83 6.052 -18.474 -1.189 629 HZ1 LYS 83 3HZ LYS 83 4.513 -19.460 -3.498 630 HZ2 LYS 83 1HZ LYS 83 4.678 -20.235 -2.052 631 HZ3 LYS 83 2HZ LYS 83 3.872 -18.799 -2.130 632 H ALA 84 HN ALA 84 4.542 -11.924 -3.356 633 HA ALA 84 HA ALA 84 4.840 -10.975 -0.596 634 HB1 ALA 84 1HB ALA 84 7.254 -10.539 -0.815 635 HB2 ALA 84 2HB ALA 84 6.895 -12.278 -0.933 636 HB3 ALA 84 3HB ALA 84 7.254 -11.341 -2.403 637 H ILE 85 HN ILE 85 5.359 -8.733 -0.435 638 HA ILE 85 HA ILE 85 4.896 -7.235 -2.972 639 HB ILE 85 HB ILE 85 4.429 -6.324 -0.098 640 HG12 ILE 85 2HG1 ILE 85 2.433 -7.060 -2.261 641 HG13 ILE 85 3HG1 ILE 85 2.827 -8.045 -0.831 642 HG21 ILE 85 1HG2 ILE 85 3.345 -4.365 -1.127 643 HG22 ILE 85 2HG2 ILE 85 5.052 -4.492 -1.613 644 HG23 ILE 85 3HG2 ILE 85 3.766 -4.982 -2.742 645 HD11 ILE 85 3HD1 ILE 85 1.579 -5.285 -0.802 646 HD12 ILE 85 1HD1 ILE 85 0.721 -6.813 -0.512 647 HD13 ILE 85 2HD1 ILE 85 1.970 -6.272 0.627 648 H GLU 86 HN GLU 86 6.467 -5.799 -3.630 649 HA GLU 86 HA GLU 86 8.585 -5.075 -1.721 650 HB2 GLU 86 2HB GLU 86 9.267 -7.265 -2.645 651 HB3 GLU 86 3HB GLU 86 9.168 -6.585 -4.287 652 HG2 GLU 86 2HG GLU 86 10.972 -5.062 -3.821 653 HG3 GLU 86 3HG GLU 86 11.008 -5.562 -2.116 654 HE2 GLU 86 2HE GLU 86 12.414 -8.181 -4.772 655 H GLY 87 HN GLY 87 8.146 -2.927 -1.933 656 HA2 GLY 87 1HA GLY 87 8.580 -0.869 -2.919 657 HA3 GLY 87 2HA GLY 87 9.077 -1.700 -4.411 658 H VAL 88 HN VAL 88 7.852 -1.132 -6.082 659 HA VAL 88 HA VAL 88 4.971 -0.586 -5.563 660 HB VAL 88 HB VAL 88 6.508 0.099 -8.087 661 HG11 VAL 88 1HG1 VAL 88 4.719 1.760 -8.397 662 HG12 VAL 88 2HG1 VAL 88 4.063 0.113 -8.258 663 HG13 VAL 88 3HG1 VAL 88 3.967 1.231 -6.876 664 HG21 VAL 88 3HG2 VAL 88 7.647 1.162 -6.193 665 HG22 VAL 88 1HG2 VAL 88 6.808 2.372 -7.191 666 HG23 VAL 88 2HG2 VAL 88 6.102 1.852 -5.643 667 H LYS 89 HN LYS 89 6.910 -3.069 -6.346 668 HA LYS 89 HA LYS 89 4.916 -4.199 -8.233 669 HB2 LYS 89 2HB LYS 89 6.861 -5.603 -9.089 670 HB3 LYS 89 3HB LYS 89 6.789 -3.893 -9.576 671 HG2 LYS 89 2HG LYS 89 8.990 -4.030 -9.064 672 HG3 LYS 89 3HG LYS 89 8.357 -3.615 -7.452 673 HD2 LYS 89 2HD LYS 89 8.465 -5.892 -6.732 674 HD3 LYS 89 3HD LYS 89 8.789 -6.466 -8.385 675 HE2 LYS 89 2HE LYS 89 10.917 -5.110 -8.332 676 HE3 LYS 89 3HE LYS 89 10.607 -4.814 -6.608 677 HZ1 LYS 89 3HZ LYS 89 10.975 -7.456 -7.854 678 HZ2 LYS 89 1HZ LYS 89 12.093 -6.663 -6.940 679 HZ3 LYS 89 2HZ LYS 89 10.687 -7.182 -6.253 680 H LEU 90 HN LEU 90 4.493 -6.417 -8.098 681 HA LEU 90 HA LEU 90 4.900 -7.445 -5.352 682 HB2 LEU 90 2HB LEU 90 3.016 -8.414 -7.522 683 HB3 LEU 90 3HB LEU 90 3.010 -8.878 -5.803 684 HG LEU 90 HG LEU 90 2.369 -6.129 -6.901 685 HD11 LEU 90 1HD1 LEU 90 0.059 -6.644 -6.225 686 HD12 LEU 90 2HD1 LEU 90 0.651 -7.793 -7.446 687 HD13 LEU 90 3HD1 LEU 90 0.568 -8.277 -5.736 688 HD21 LEU 90 3HD2 LEU 90 3.378 -6.054 -4.669 689 HD22 LEU 90 1HD2 LEU 90 1.654 -5.625 -4.604 690 HD23 LEU 90 2HD2 LEU 90 2.187 -7.242 -4.085 691 H VAL 91 HN VAL 91 5.646 -9.529 -4.965 692 HA VAL 91 HA VAL 91 7.113 -10.791 -7.199 693 HB VAL 91 HB VAL 91 7.076 -11.504 -4.239 694 HG11 VAL 91 1HG1 VAL 91 9.083 -12.824 -4.770 695 HG12 VAL 91 2HG1 VAL 91 7.673 -13.379 -5.702 696 HG13 VAL 91 3HG1 VAL 91 8.920 -12.380 -6.485 697 HG21 VAL 91 3HG2 VAL 91 8.014 -9.266 -4.608 698 HG22 VAL 91 1HG2 VAL 91 9.282 -10.418 -4.130 699 HG23 VAL 91 2HG2 VAL 91 9.123 -9.926 -5.832 700 H VAL 92 HN VAL 92 5.911 -12.146 -8.402 701 HA VAL 92 HA VAL 92 3.760 -13.624 -6.974 702 HB VAL 92 HB VAL 92 2.438 -13.511 -9.078 703 HG11 VAL 92 1HG1 VAL 92 1.774 -11.149 -8.883 704 HG12 VAL 92 2HG1 VAL 92 2.044 -11.884 -7.287 705 HG13 VAL 92 3HG1 VAL 92 3.272 -10.803 -7.988 706 HG21 VAL 92 3HG2 VAL 92 4.294 -13.226 -10.657 707 HG22 VAL 92 1HG2 VAL 92 3.090 -11.932 -10.853 708 HG23 VAL 92 2HG2 VAL 92 4.615 -11.604 -9.999 709 H GLU 93 HN GLU 93 3.057 -15.607 -7.927 710 HA GLU 93 HA GLU 93 5.127 -16.937 -9.624 711 HB2 GLU 93 2HB GLU 93 3.192 -18.303 -7.729 712 HB3 GLU 93 3HB GLU 93 4.574 -19.023 -8.589 713 HG2 GLU 93 2HG GLU 93 6.120 -17.744 -7.203 714 HG3 GLU 93 3HG GLU 93 4.753 -16.980 -6.362 715 HE2 GLU 93 2HE GLU 93 4.100 -19.909 -4.537 716 H LYS 94 HN LYS 94 4.185 -18.499 -11.207 717 HA LYS 94 HA LYS 94 1.663 -17.594 -12.263 718 HB2 LYS 94 2HB LYS 94 3.369 -18.616 -13.716 719 HB3 LYS 94 3HB LYS 94 3.185 -20.158 -12.846 720 HG2 LYS 94 2HG LYS 94 0.814 -20.240 -13.541 721 HG3 LYS 94 3HG LYS 94 1.049 -18.734 -14.459 722 HD2 LYS 94 2HD LYS 94 2.641 -19.825 -15.925 723 HD3 LYS 94 3HD LYS 94 2.553 -21.318 -14.959 724 HE2 LYS 94 2HE LYS 94 0.200 -21.590 -15.524 725 HE3 LYS 94 3HE LYS 94 0.202 -20.042 -16.397 726 HZ1 LYS 94 3HZ LYS 94 1.757 -22.427 -17.141 727 HZ2 LYS 94 1HZ LYS 94 0.387 -21.902 -17.891 728 HZ3 LYS 94 2HZ LYS 94 1.757 -20.990 -17.950 729 H LEU 95 HN LEU 95 -0.380 -18.438 -12.007 730 HA LEU 95 HA LEU 95 -1.003 -19.837 -9.639 731 HB2 LEU 95 2HB LEU 95 -2.412 -18.579 -11.650 732 HB3 LEU 95 3HB LEU 95 -2.871 -20.287 -11.853 733 HG LEU 95 HG LEU 95 -3.390 -20.286 -9.369 734 HD11 LEU 95 1HD1 LEU 95 -3.900 -18.107 -8.351 735 HD12 LEU 95 2HD1 LEU 95 -2.180 -18.243 -8.781 736 HD13 LEU 95 3HD1 LEU 95 -3.281 -17.288 -9.802 737 HD21 LEU 95 3HD2 LEU 95 -5.111 -20.284 -11.105 738 HD22 LEU 95 1HD2 LEU 95 -5.615 -19.304 -9.710 739 HD23 LEU 95 2HD2 LEU 95 -5.034 -18.507 -11.189 740 H GLU 96 HN GLU 96 -1.798 -22.017 -9.345 741 HA GLU 96 HA GLU 96 0.064 -23.871 -10.435 742 HB2 GLU 96 2HB GLU 96 -0.985 -24.068 -8.200 743 HB3 GLU 96 3HB GLU 96 -2.536 -24.445 -8.987 744 HG2 GLU 96 2HG GLU 96 -1.766 -26.512 -9.776 745 HG3 GLU 96 3HG GLU 96 -0.062 -26.081 -9.511 746 HE2 GLU 96 2HE GLU 96 -2.131 -27.579 -6.496 747 H GLU 97 HN GLU 97 0.116 -24.565 -12.418 748 HA GLU 97 HA GLU 97 -2.414 -24.875 -13.938 749 HB2 GLU 97 2HB GLU 97 -0.163 -23.609 -14.645 750 HB3 GLU 97 3HB GLU 97 0.295 -25.252 -15.151 751 HG2 GLU 97 2HG GLU 97 -2.156 -23.728 -16.072 752 HG3 GLU 97 3HG GLU 97 -0.651 -23.939 -16.995 753 HE2 GLU 97 2HE GLU 97 -1.445 -27.250 -17.761 754 H GLN 98 HN GLN 98 -3.262 -26.838 -14.145 755 HA GLN 98 HA GLN 98 -1.942 -29.076 -12.894 756 HB2 GLN 98 2HB GLN 98 -4.511 -28.944 -14.509 757 HB3 GLN 98 3HB GLN 98 -3.986 -30.306 -13.490 758 HG2 GLN 98 2HG GLN 98 -4.651 -27.503 -12.553 759 HG3 GLN 98 3HG GLN 98 -5.655 -28.954 -12.346 760 HE21 GLN 98 1HE2 GLN 98 -5.071 -30.528 -10.834 761 HE22 GLN 98 2HE2 GLN 98 -3.881 -30.218 -9.588 762 H LYS 99 HN LYS 99 -0.441 -30.291 -13.783 763 HA LYS 99 HA LYS 99 0.031 -30.372 -16.630 764 HB2 LYS 99 2HB LYS 99 1.055 -32.253 -14.479 765 HB3 LYS 99 3HB LYS 99 1.760 -31.973 -16.090 766 HG2 LYS 99 2HG LYS 99 2.370 -29.709 -15.461 767 HG3 LYS 99 3HG LYS 99 1.591 -29.915 -13.874 768 HD2 LYS 99 2HD LYS 99 3.150 -31.784 -13.388 769 HD3 LYS 99 3HD LYS 99 3.960 -31.484 -14.944 770 HE2 LYS 99 2HE LYS 99 4.559 -29.229 -14.210 771 HE3 LYS 99 3HE LYS 99 3.720 -29.496 -12.667 772 HZ1 LYS 99 3HZ LYS 99 6.049 -31.013 -13.634 773 HZ2 LYS 99 1HZ LYS 99 6.079 -29.849 -12.468 774 HZ3 LYS 99 2HZ LYS 99 5.270 -31.261 -12.202 775 H GLY 100 HN GLY 100 -1.843 -32.218 -14.347 776 HA2 GLY 100 1HA GLY 100 -3.547 -33.617 -15.778 777 HA3 GLY 100 2HA GLY 100 -2.067 -34.506 -16.207 778 H SER 101 HN SER 101 -0.726 -34.254 -13.740 779 HA SER 101 HA SER 101 -2.565 -35.444 -11.738 780 HB2 SER 101 2HB SER 101 -1.273 -37.247 -12.981 781 HB3 SER 101 3HB SER 101 0.211 -36.539 -12.297 782 HG SER 101 HG SER 101 -0.623 -38.264 -11.021 Start of MODEL 10 1 H1 MET 1 HN MET 1 0.304 -5.827 84.448 2 HA MET 1 HA MET 1 -1.880 -7.296 85.513 3 HB2 MET 1 2HB MET 1 -0.339 -5.678 87.565 4 HB3 MET 1 3HB MET 1 -2.018 -6.229 87.780 5 HG2 MET 1 2HG MET 1 0.398 -8.012 87.378 6 HG3 MET 1 3HG MET 1 -0.408 -7.689 88.923 7 HE1 MET 1 3HE MET 1 -0.721 -10.250 89.399 8 HE2 MET 1 1HE MET 1 -1.421 -11.402 88.240 9 HE3 MET 1 2HE MET 1 0.134 -10.618 87.881 10 H GLY 2 HN GLY 2 -3.782 -6.011 85.740 11 HA2 GLY 2 1HA GLY 2 -5.009 -4.017 85.497 12 HA3 GLY 2 2HA GLY 2 -3.511 -3.145 85.101 13 H SER 3 HN SER 3 -6.361 -3.830 83.814 14 HA SER 3 HA SER 3 -5.594 -5.075 81.313 15 HB2 SER 3 2HB SER 3 -8.122 -3.554 82.042 16 HB3 SER 3 3HB SER 3 -7.903 -4.644 80.652 17 HG SER 3 HG SER 3 -8.925 -5.674 82.437 18 H SER 4 HN SER 4 -4.211 -3.998 80.037 19 HA SER 4 HA SER 4 -4.522 -1.099 79.694 20 HB2 SER 4 2HB SER 4 -2.553 -3.013 78.394 21 HB3 SER 4 3HB SER 4 -2.466 -1.235 78.409 22 HG SER 4 HG SER 4 -1.145 -2.205 80.026 23 H HIS 5 HN HIS 5 -6.751 -1.512 78.832 24 HA HIS 5 HA HIS 5 -6.637 -2.169 75.931 25 HB2 HIS 5 2HB HIS 5 -8.925 -2.150 77.917 26 HB3 HIS 5 3HB HIS 5 -9.176 -2.212 76.162 27 HD1 HIS 5 1HD HIS 5 -9.599 -4.442 78.630 28 HD2 HIS 5 2HD HIS 5 -6.964 -4.485 75.390 29 HE1 HIS 5 1HE HIS 5 -9.007 -6.874 78.232 30 HE2 HIS 5 2HE HIS 5 -7.407 -6.897 76.261 31 H HIS 6 HN HIS 6 -6.964 -0.624 74.470 32 HA HIS 6 HA HIS 6 -8.337 1.849 75.229 33 HB2 HIS 6 2HB HIS 6 -6.478 3.307 74.517 34 HB3 HIS 6 3HB HIS 6 -6.074 2.355 75.958 35 HD1 HIS 6 1HD HIS 6 -4.598 3.449 72.912 36 HD2 HIS 6 2HD HIS 6 -4.551 -0.146 75.038 37 HE1 HIS 6 1HE HIS 6 -2.566 2.172 72.100 38 HE2 HIS 6 2HE HIS 6 -2.541 -0.009 73.395 39 H HIS 7 HN HIS 7 -9.850 1.741 73.665 40 HA HIS 7 HA HIS 7 -9.151 0.978 70.959 41 HB2 HIS 7 2HB HIS 7 -11.463 1.725 70.401 42 HB3 HIS 7 3HB HIS 7 -11.367 0.479 71.660 43 HD1 HIS 7 1HD HIS 7 -12.036 1.154 74.079 44 HD2 HIS 7 2HD HIS 7 -12.572 4.158 71.221 45 HE1 HIS 7 1HE HIS 7 -13.508 2.911 75.164 46 HE2 HIS 7 2HE HIS 7 -13.831 4.728 73.423 47 H HIS 8 HN HIS 8 -7.954 2.187 69.708 48 HA HIS 8 HA HIS 8 -8.191 5.146 69.987 49 HB2 HIS 8 2HB HIS 8 -6.067 4.174 70.871 50 HB3 HIS 8 3HB HIS 8 -5.728 3.530 69.253 51 HD1 HIS 8 1HD HIS 8 -4.016 4.895 68.150 52 HD2 HIS 8 2HD HIS 8 -6.598 7.238 70.453 53 HE1 HIS 8 1HE HIS 8 -3.225 7.288 67.886 54 HE2 HIS 8 2HE HIS 8 -4.796 8.706 69.286 55 H HIS 9 HN HIS 9 -9.086 6.030 68.283 56 HA HIS 9 HA HIS 9 -8.489 4.886 65.604 57 HB2 HIS 9 2HB HIS 9 -10.710 4.095 66.458 58 HB3 HIS 9 3HB HIS 9 -11.227 5.789 66.556 59 HD1 HIS 9 1HD HIS 9 -12.925 5.991 64.766 60 HD2 HIS 9 2HD HIS 9 -9.476 4.033 63.454 61 HE1 HIS 9 1HE HIS 9 -13.238 5.596 62.283 62 HE2 HIS 9 2HE HIS 9 -11.140 4.409 61.494 63 H HIS 10 HN HIS 10 -7.009 6.570 65.270 64 HA HIS 10 HA HIS 10 -8.013 9.342 65.435 65 HB2 HIS 10 2HB HIS 10 -5.705 8.606 66.220 66 HB3 HIS 10 3HB HIS 10 -5.296 8.359 64.511 67 HD1 HIS 10 1HD HIS 10 -4.701 10.691 67.020 68 HD2 HIS 10 2HD HIS 10 -6.056 11.055 63.086 69 HE1 HIS 10 1HE HIS 10 -4.185 13.067 66.315 70 HE2 HIS 10 2HE HIS 10 -5.011 13.285 63.924 71 H SER 11 HN SER 11 -9.442 9.651 63.792 72 HA SER 11 HA SER 11 -8.609 8.835 61.067 73 HB2 SER 11 2HB SER 11 -11.301 9.737 62.155 74 HB3 SER 11 3HB SER 11 -10.978 9.256 60.472 75 HG SER 11 HG SER 11 -11.826 7.537 61.740 76 H SER 12 HN SER 12 -7.469 10.330 60.048 77 HA SER 12 HA SER 12 -8.721 12.963 59.723 78 HB2 SER 12 2HB SER 12 -6.460 14.075 60.091 79 HB3 SER 12 3HB SER 12 -7.304 13.501 61.548 80 HG SER 12 HG SER 12 -5.075 12.924 61.529 81 H GLY 13 HN GLY 13 -9.137 12.475 57.584 82 HA2 GLY 13 1HA GLY 13 -7.080 11.572 55.780 83 HA3 GLY 13 2HA GLY 13 -8.626 12.328 55.334 84 H ARG 14 HN ARG 14 -8.481 14.723 56.614 85 HA ARG 14 HA ARG 14 -7.551 16.787 56.738 86 HB2 ARG 14 2HB ARG 14 -5.548 15.431 57.570 87 HB3 ARG 14 3HB ARG 14 -4.883 15.628 55.931 88 HG2 ARG 14 2HG ARG 14 -4.984 18.072 56.199 89 HG3 ARG 14 3HG ARG 14 -5.609 17.855 57.851 90 HD2 ARG 14 2HD ARG 14 -3.503 16.451 58.275 91 HD3 ARG 14 3HD ARG 14 -2.887 17.131 56.754 92 HE ARG 14 HE ARG 14 -3.848 19.158 58.576 93 HH11 ARG 14 2HH1 ARG 14 -1.093 17.184 57.614 94 HH12 ARG 14 1HH1 ARG 14 0.076 18.209 58.412 95 HH21 ARG 14 2HH2 ARG 14 -2.324 20.442 59.672 96 HH22 ARG 14 1HH2 ARG 14 -0.622 20.053 59.577 97 H GLU 15 HN GLU 15 -5.324 15.560 54.231 98 HA GLU 15 HA GLU 15 -6.763 17.236 52.252 99 HB2 GLU 15 2HB GLU 15 -3.774 17.315 52.783 100 HB3 GLU 15 3HB GLU 15 -4.623 18.156 51.464 101 HG2 GLU 15 2HG GLU 15 -5.857 19.493 53.088 102 HG3 GLU 15 3HG GLU 15 -5.058 18.633 54.422 103 HE2 GLU 15 2HE GLU 15 -2.114 20.448 53.995 104 H ASN 16 HN ASN 16 -7.527 15.219 51.469 105 HA ASN 16 HA ASN 16 -5.511 13.874 49.744 106 HB2 ASN 16 2HB ASN 16 -6.503 11.694 50.224 107 HB3 ASN 16 3HB ASN 16 -5.895 12.438 51.719 108 HD21 ASN 16 1HD2 ASN 16 -8.719 11.332 49.964 109 HD22 ASN 16 2HD2 ASN 16 -9.867 11.542 51.271 110 H LEU 17 HN LEU 17 -7.729 15.952 49.527 111 HA LEU 17 HA LEU 17 -9.817 14.547 48.046 112 HB2 LEU 17 2HB LEU 17 -9.367 17.484 48.634 113 HB3 LEU 17 3HB LEU 17 -10.760 16.838 47.733 114 HG LEU 17 HG LEU 17 -11.224 15.438 49.838 115 HD11 LEU 17 1HD1 LEU 17 -10.431 16.406 51.957 116 HD12 LEU 17 2HD1 LEU 17 -9.080 15.817 50.963 117 HD13 LEU 17 3HD1 LEU 17 -9.427 17.560 51.052 118 HD21 LEU 17 3HD2 LEU 17 -12.605 17.316 49.084 119 HD22 LEU 17 1HD2 LEU 17 -12.489 17.284 50.857 120 HD23 LEU 17 2HD2 LEU 17 -11.528 18.454 49.927 121 H TYR 18 HN TYR 18 -8.632 13.661 46.355 122 HA TYR 18 HA TYR 18 -7.996 13.545 44.185 123 HB2 TYR 18 2HB TYR 18 -9.786 15.108 43.639 124 HB3 TYR 18 3HB TYR 18 -8.745 16.482 44.042 125 HD1 TYR 18 2HD TYR 18 -9.186 13.665 41.647 126 HD2 TYR 18 1HD TYR 18 -7.193 17.346 42.444 127 HE1 TYR 18 2HE TYR 18 -8.347 13.710 39.340 128 HE2 TYR 18 1HE TYR 18 -6.347 17.388 40.139 129 HH TYR 18 HH TYR 18 -7.093 14.815 37.794 130 H PHE 19 HN PHE 19 -6.064 13.408 43.296 131 HA PHE 19 HA PHE 19 -4.178 15.605 43.338 132 HB2 PHE 19 2HB PHE 19 -3.897 14.631 45.633 133 HB3 PHE 19 3HB PHE 19 -3.447 13.091 44.880 134 HD1 PHE 19 1HD PHE 19 -2.449 16.647 45.235 135 HD2 PHE 19 2HD PHE 19 -1.250 12.727 44.078 136 HE1 PHE 19 1HE PHE 19 -0.115 17.406 45.097 137 HE2 PHE 19 2HE PHE 19 1.084 13.478 43.940 138 HZ PHE 19 HZ PHE 19 1.657 15.824 44.434 139 H GLN 20 HN GLN 20 -4.997 12.226 42.735 140 HA GLN 20 HA GLN 20 -2.923 12.078 40.632 141 HB2 GLN 20 2HB GLN 20 -4.751 10.021 41.899 142 HB3 GLN 20 3HB GLN 20 -3.691 9.676 40.510 143 HG2 GLN 20 2HG GLN 20 -1.730 10.131 41.811 144 HG3 GLN 20 3HG GLN 20 -2.706 10.725 43.171 145 HE21 GLN 20 1HE2 GLN 20 -3.746 9.274 44.538 146 HE22 GLN 20 2HE2 GLN 20 -3.395 7.558 44.522 147 H GLY 21 HN GLY 21 -3.431 12.682 38.648 148 HA2 GLY 21 1HA GLY 21 -5.648 11.658 37.227 149 HA3 GLY 21 2HA GLY 21 -6.077 13.279 37.820 150 H HIS 22 HN HIS 22 -5.024 15.097 37.029 151 HA HIS 22 HA HIS 22 -3.915 16.390 35.506 152 HB2 HIS 22 2HB HIS 22 -1.947 15.171 36.436 153 HB3 HIS 22 3HB HIS 22 -2.113 13.974 35.139 154 HD1 HIS 22 1HD HIS 22 -0.809 14.413 33.074 155 HD2 HIS 22 2HD HIS 22 -1.392 17.881 35.333 156 HE1 HIS 22 1HE HIS 22 0.527 16.238 31.927 157 HE2 HIS 22 2HE HIS 22 0.176 18.337 33.308 158 H MET 23 HN MET 23 -6.214 14.986 34.658 159 HA MET 23 HA MET 23 -7.419 14.725 32.749 160 HB2 MET 23 2HB MET 23 -4.961 16.030 31.598 161 HB3 MET 23 3HB MET 23 -6.270 15.451 30.539 162 HG2 MET 23 2HG MET 23 -6.566 17.800 30.956 163 HG3 MET 23 3HG MET 23 -7.861 16.896 31.757 164 HE1 MET 23 3HE MET 23 -8.453 19.107 33.129 165 HE2 MET 23 1HE MET 23 -7.273 20.007 34.109 166 HE3 MET 23 2HE MET 23 -7.110 19.968 32.339 167 H ALA 24 HN ALA 24 -7.169 13.759 30.315 168 HA ALA 24 HA ALA 24 -5.374 11.518 30.109 169 HB1 ALA 24 1HB ALA 24 -7.038 9.722 30.381 170 HB2 ALA 24 2HB ALA 24 -6.821 10.638 31.890 171 HB3 ALA 24 3HB ALA 24 -8.253 10.922 30.873 172 H ALA 25 HN ALA 25 -6.520 9.852 28.446 173 HA ALA 25 HA ALA 25 -7.382 9.450 26.392 174 HB1 ALA 25 1HB ALA 25 -9.112 10.897 25.416 175 HB2 ALA 25 2HB ALA 25 -9.432 10.557 27.132 176 HB3 ALA 25 3HB ALA 25 -8.766 12.134 26.645 177 H ARG 26 HN ARG 26 -5.828 9.318 24.958 178 HA ARG 26 HA ARG 26 -5.088 11.813 23.550 179 HB2 ARG 26 2HB ARG 26 -3.224 9.875 24.885 180 HB3 ARG 26 3HB ARG 26 -2.720 10.690 23.384 181 HG2 ARG 26 2HG ARG 26 -3.331 12.876 24.573 182 HG3 ARG 26 3HG ARG 26 -3.368 11.909 26.066 183 HD2 ARG 26 2HD ARG 26 -1.164 13.010 25.631 184 HD3 ARG 26 3HD ARG 26 -1.070 11.240 25.765 185 HE ARG 26 HE ARG 26 -1.384 12.268 23.040 186 HH11 ARG 26 2HH1 ARG 26 0.899 11.425 25.582 187 HH12 ARG 26 1HH1 ARG 26 2.196 11.053 24.468 188 HH21 ARG 26 2HH2 ARG 26 0.291 11.726 21.590 189 HH22 ARG 26 1HH2 ARG 26 1.851 11.224 22.203 190 H ILE 27 HN ILE 27 -5.136 11.633 21.417 191 HA ILE 27 HA ILE 27 -4.468 9.035 20.206 192 HB ILE 27 HB ILE 27 -6.845 8.940 20.096 193 HG12 ILE 27 2HG1 ILE 27 -6.031 10.132 17.451 194 HG13 ILE 27 3HG1 ILE 27 -5.426 8.557 18.017 195 HG21 ILE 27 1HG2 ILE 27 -8.251 10.755 19.222 196 HG22 ILE 27 2HG2 ILE 27 -7.347 11.269 20.664 197 HG23 ILE 27 3HG2 ILE 27 -6.812 11.786 19.047 198 HD11 ILE 27 3HD1 ILE 27 -8.326 9.294 17.572 199 HD12 ILE 27 1HD1 ILE 27 -7.338 8.283 16.497 200 HD13 ILE 27 2HD1 ILE 27 -7.720 7.719 18.136 201 H THR 28 HN THR 28 -2.699 9.444 19.079 202 HA THR 28 HA THR 28 -2.397 12.158 17.891 203 HB THR 28 HB THR 28 -0.067 10.296 18.276 204 HG1 THR 28 1HG THR 28 0.074 11.047 20.465 205 HG21 THR 28 3HG2 THR 28 -0.459 13.290 18.668 206 HG22 THR 28 1HG2 THR 28 1.089 12.422 18.785 207 HG23 THR 28 2HG2 THR 28 0.237 12.510 17.227 208 H GLY 29 HN GLY 29 -0.925 12.173 15.894 209 HA2 GLY 29 1HA GLY 29 -0.008 10.822 14.083 210 HA3 GLY 29 2HA GLY 29 -1.375 9.703 14.294 211 H GLU 30 HN GLU 30 -0.900 10.520 11.808 212 HA GLU 30 HA GLU 30 -2.991 12.589 11.332 213 HB2 GLU 30 2HB GLU 30 -0.559 11.786 9.718 214 HB3 GLU 30 3HB GLU 30 -1.900 12.739 9.036 215 HG2 GLU 30 2HG GLU 30 -1.520 14.471 10.739 216 HG3 GLU 30 3HG GLU 30 -0.166 13.524 11.392 217 HE2 GLU 30 2HE GLU 30 1.946 14.966 9.121 218 HA PRO 31 HA PRO 31 -5.393 9.393 9.435 219 HB2 PRO 31 2HB PRO 31 -6.503 11.419 7.562 220 HB3 PRO 31 3HB PRO 31 -7.291 10.520 8.900 221 HG2 PRO 31 2HG PRO 31 -6.754 13.159 9.011 222 HG3 PRO 31 3HG PRO 31 -6.842 12.111 10.464 223 HD2 PRO 31 2HD PRO 31 -4.458 13.202 8.968 224 HD3 PRO 31 3HD PRO 31 -4.686 12.941 10.724 225 H SER 32 HN SER 32 -3.347 8.525 8.505 226 HA SER 32 HA SER 32 -2.599 9.262 5.819 227 HB2 SER 32 2HB SER 32 -1.244 7.160 5.929 228 HB3 SER 32 3HB SER 32 -0.959 8.264 7.296 229 HG SER 32 HG SER 32 -1.234 6.079 7.958 230 H LYS 33 HN LYS 33 -3.996 9.032 4.219 231 HA LYS 33 HA LYS 33 -6.018 6.924 4.312 232 HB2 LYS 33 2HB LYS 33 -5.467 9.047 2.214 233 HB3 LYS 33 3HB LYS 33 -6.938 8.057 2.370 234 HG2 LYS 33 2HG LYS 33 -7.492 9.096 4.467 235 HG3 LYS 33 3HG LYS 33 -5.936 9.960 4.503 236 HD2 LYS 33 2HD LYS 33 -6.633 11.145 2.406 237 HD3 LYS 33 3HD LYS 33 -8.234 10.387 2.576 238 HE2 LYS 33 2HE LYS 33 -8.245 12.645 3.523 239 HE3 LYS 33 3HE LYS 33 -8.489 11.429 4.795 240 HZ1 LYS 33 3HZ LYS 33 -5.940 12.771 4.177 241 HZ2 LYS 33 1HZ LYS 33 -6.916 13.108 5.462 242 HZ3 LYS 33 2HZ LYS 33 -6.168 11.642 5.357 243 H LYS 34 HN LYS 34 -6.333 5.333 2.765 244 HA LYS 34 HA LYS 34 -5.691 3.628 1.398 245 HB2 LYS 34 2HB LYS 34 -5.236 5.330 -0.282 246 HB3 LYS 34 3HB LYS 34 -3.616 5.605 0.406 247 HG2 LYS 34 2HG LYS 34 -3.154 3.150 -0.110 248 HG3 LYS 34 3HG LYS 34 -4.642 3.190 -1.086 249 HD2 LYS 34 2HD LYS 34 -2.885 3.618 -2.605 250 HD3 LYS 34 3HD LYS 34 -3.629 5.202 -2.283 251 HE2 LYS 34 2HE LYS 34 -1.158 4.172 -0.861 252 HE3 LYS 34 3HE LYS 34 -1.111 5.189 -2.318 253 HZ1 LYS 34 3HZ LYS 34 -2.320 5.942 0.260 254 HZ2 LYS 34 1HZ LYS 34 -0.878 6.488 -0.318 255 HZ3 LYS 34 2HZ LYS 34 -2.276 6.886 -1.092 256 H ALA 35 HN ALA 35 -5.110 2.480 3.316 257 HA ALA 35 HA ALA 35 -2.179 2.282 3.765 258 HB1 ALA 35 1HB ALA 35 -2.773 1.060 5.819 259 HB2 ALA 35 2HB ALA 35 -3.555 2.657 5.766 260 HB3 ALA 35 3HB ALA 35 -4.497 1.192 5.398 261 H VAL 36 HN VAL 36 -1.250 0.089 3.986 262 HA VAL 36 HA VAL 36 -2.510 -1.683 1.968 263 HB VAL 36 HB VAL 36 0.326 -1.818 3.039 264 HG11 VAL 36 1HG1 VAL 36 0.749 -3.148 1.014 265 HG12 VAL 36 2HG1 VAL 36 -0.514 -3.884 2.027 266 HG13 VAL 36 3HG1 VAL 36 -0.963 -2.990 0.555 267 HG21 VAL 36 3HG2 VAL 36 -0.036 0.356 1.975 268 HG22 VAL 36 1HG2 VAL 36 1.030 -0.666 0.984 269 HG23 VAL 36 2HG2 VAL 36 -0.675 -0.451 0.523 270 H SER 37 HN SER 37 -3.620 -3.332 2.711 271 HA SER 37 HA SER 37 -3.070 -4.347 5.429 272 HB2 SER 37 2HB SER 37 -5.300 -5.069 3.489 273 HB3 SER 37 3HB SER 37 -5.211 -5.478 5.219 274 HG SER 37 HG SER 37 -6.526 -3.635 4.807 275 H ASP 38 HN ASP 38 -2.717 -6.560 5.873 276 HA ASP 38 HA ASP 38 -0.989 -7.819 3.907 277 HB2 ASP 38 2HB ASP 38 -0.568 -9.465 5.639 278 HB3 ASP 38 3HB ASP 38 -0.533 -7.840 6.356 279 HD2 ASP 38 2HD ASP 38 -3.625 -8.495 8.019 280 H ARG 39 HN ARG 39 -4.228 -7.642 3.967 281 HA ARG 39 HA ARG 39 -4.951 -10.439 3.708 282 HB2 ARG 39 2HB ARG 39 -6.517 -8.006 2.803 283 HB3 ARG 39 3HB ARG 39 -7.147 -9.625 3.190 284 HG2 ARG 39 2HG ARG 39 -6.436 -9.288 5.545 285 HG3 ARG 39 3HG ARG 39 -5.944 -7.631 5.124 286 HD2 ARG 39 2HD ARG 39 -8.125 -7.489 6.075 287 HD3 ARG 39 3HD ARG 39 -8.304 -7.240 4.325 288 HE ARG 39 HE ARG 39 -9.117 -9.549 4.155 289 HH11 ARG 39 2HH1 ARG 39 -8.944 -8.107 7.354 290 HH12 ARG 39 1HH1 ARG 39 -10.151 -9.169 8.045 291 HH21 ARG 39 2HH2 ARG 39 -10.709 -10.941 5.066 292 HH22 ARG 39 1HH2 ARG 39 -11.151 -10.775 6.750 293 H LEU 40 HN LEU 40 -3.362 -8.248 1.693 294 HA LEU 40 HA LEU 40 -4.517 -9.286 -0.801 295 HB2 LEU 40 2HB LEU 40 -2.278 -7.319 -0.258 296 HB3 LEU 40 3HB LEU 40 -2.896 -7.748 -1.872 297 HG LEU 40 HG LEU 40 -4.440 -6.364 0.339 298 HD11 LEU 40 1HD1 LEU 40 -4.400 -4.423 -1.175 299 HD12 LEU 40 2HD1 LEU 40 -2.756 -4.933 -0.728 300 HD13 LEU 40 3HD1 LEU 40 -3.411 -5.345 -2.330 301 HD21 LEU 40 3HD2 LEU 40 -5.881 -7.831 -1.001 302 HD22 LEU 40 1HD2 LEU 40 -6.232 -6.119 -1.334 303 HD23 LEU 40 2HD2 LEU 40 -5.277 -7.072 -2.493 304 H ILE 41 HN ILE 41 -2.094 -10.178 1.399 305 HA ILE 41 HA ILE 41 -0.313 -11.333 -0.610 306 HB ILE 41 HB ILE 41 -0.348 -11.672 2.414 307 HG12 ILE 41 2HG1 ILE 41 0.011 -9.351 1.755 308 HG13 ILE 41 3HG1 ILE 41 1.503 -10.066 2.411 309 HG21 ILE 41 1HG2 ILE 41 1.962 -12.485 2.135 310 HG22 ILE 41 2HG2 ILE 41 0.803 -13.511 1.260 311 HG23 ILE 41 3HG2 ILE 41 1.801 -12.335 0.370 312 HD11 ILE 41 3HD1 ILE 41 0.872 -9.650 -0.522 313 HD12 ILE 41 1HD1 ILE 41 1.979 -8.657 0.449 314 HD13 ILE 41 2HD1 ILE 41 2.364 -10.363 0.136 315 H GLY 42 HN GLY 42 -0.589 -13.242 -1.535 316 HA2 GLY 42 1HA GLY 42 -1.093 -15.544 -1.554 317 HA3 GLY 42 2HA GLY 42 -2.017 -15.349 -0.047 318 H ARG 43 HN ARG 43 -2.629 -12.955 -2.419 319 HA ARG 43 HA ARG 43 -5.279 -14.159 -2.912 320 HB2 ARG 43 2HB ARG 43 -4.151 -11.424 -3.591 321 HB3 ARG 43 3HB ARG 43 -5.819 -11.957 -3.911 322 HG2 ARG 43 2HG ARG 43 -4.603 -11.859 -1.148 323 HG3 ARG 43 3HG ARG 43 -5.487 -10.501 -1.883 324 HD2 ARG 43 2HD ARG 43 -7.096 -11.593 -0.581 325 HD3 ARG 43 3HD ARG 43 -7.404 -12.175 -2.231 326 HE ARG 43 HE ARG 43 -6.340 -14.279 -1.629 327 HH11 ARG 43 2HH1 ARG 43 -6.885 -12.042 1.028 328 HH12 ARG 43 1HH1 ARG 43 -6.967 -13.296 2.244 329 HH21 ARG 43 2HH2 ARG 43 -6.529 -15.931 -0.037 330 HH22 ARG 43 1HH2 ARG 43 -6.764 -15.499 1.642 331 H LYS 44 HN LYS 44 -6.189 -14.151 -5.058 332 HA LYS 44 HA LYS 44 -4.232 -14.993 -7.079 333 HB2 LYS 44 2HB LYS 44 -6.538 -16.048 -6.463 334 HB3 LYS 44 3HB LYS 44 -7.210 -14.736 -7.461 335 HG2 LYS 44 2HG LYS 44 -5.138 -16.673 -8.489 336 HG3 LYS 44 3HG LYS 44 -6.886 -16.992 -8.576 337 HD2 LYS 44 2HD LYS 44 -5.428 -14.646 -9.824 338 HD3 LYS 44 3HD LYS 44 -6.045 -16.079 -10.679 339 HE2 LYS 44 2HE LYS 44 -8.342 -15.482 -9.951 340 HE3 LYS 44 3HE LYS 44 -7.694 -14.011 -9.191 341 HZ1 LYS 44 3HZ LYS 44 -7.536 -14.671 -12.057 342 HZ2 LYS 44 1HZ LYS 44 -8.561 -13.573 -11.378 343 HZ3 LYS 44 2HZ LYS 44 -6.935 -13.308 -11.351 344 H GLY 45 HN GLY 45 -3.830 -13.954 -8.974 345 HA2 GLY 45 1HA GLY 45 -5.265 -11.420 -9.507 346 HA3 GLY 45 2HA GLY 45 -3.491 -11.408 -9.394 347 H VAL 46 HN VAL 46 -4.483 -10.540 -11.704 348 HA VAL 46 HA VAL 46 -4.136 -12.860 -13.539 349 HB VAL 46 HB VAL 46 -6.495 -12.101 -13.491 350 HG11 VAL 46 1HG1 VAL 46 -7.121 -9.888 -14.359 351 HG12 VAL 46 2HG1 VAL 46 -6.131 -9.760 -12.887 352 HG13 VAL 46 3HG1 VAL 46 -5.400 -9.453 -14.482 353 HG21 VAL 46 3HG2 VAL 46 -5.575 -13.048 -15.550 354 HG22 VAL 46 1HG2 VAL 46 -6.796 -11.808 -15.914 355 HG23 VAL 46 2HG2 VAL 46 -5.068 -11.426 -16.080 356 H VAL 47 HN VAL 47 -2.888 -12.531 -15.363 357 HA VAL 47 HA VAL 47 -1.094 -10.219 -15.155 358 HB VAL 47 HB VAL 47 -1.034 -12.571 -17.083 359 HG11 VAL 47 1HG1 VAL 47 1.301 -11.913 -17.478 360 HG12 VAL 47 2HG1 VAL 47 0.173 -10.611 -17.918 361 HG13 VAL 47 3HG1 VAL 47 1.089 -10.519 -16.395 362 HG21 VAL 47 3HG2 VAL 47 -0.802 -13.296 -14.755 363 HG22 VAL 47 1HG2 VAL 47 0.733 -13.478 -15.634 364 HG23 VAL 47 2HG2 VAL 47 0.508 -12.116 -14.512 365 H MET 48 HN MET 48 -1.736 -8.377 -16.045 366 HA MET 48 HA MET 48 -3.356 -8.459 -18.516 367 HB2 MET 48 2HB MET 48 -2.559 -6.119 -16.752 368 HB3 MET 48 3HB MET 48 -3.686 -6.064 -18.129 369 HG2 MET 48 2HG MET 48 -5.125 -7.710 -16.904 370 HG3 MET 48 3HG MET 48 -4.055 -7.520 -15.506 371 HE1 MET 48 3HE MET 48 -6.598 -5.760 -17.919 372 HE2 MET 48 1HE MET 48 -6.595 -4.090 -17.304 373 HE3 MET 48 2HE MET 48 -5.143 -4.750 -18.091 374 H GLU 49 HN GLU 49 -0.242 -7.404 -17.232 375 HA GLU 49 HA GLU 49 0.642 -6.840 -20.034 376 HB2 GLU 49 2HB GLU 49 0.582 -4.810 -18.654 377 HB3 GLU 49 3HB GLU 49 1.584 -5.609 -17.419 378 HG2 GLU 49 2HG GLU 49 2.999 -4.150 -18.637 379 HG3 GLU 49 3HG GLU 49 3.394 -5.806 -19.146 380 HE2 GLU 49 2HE GLU 49 1.669 -3.397 -21.802 381 H ALA 50 HN ALA 50 2.450 -7.907 -20.731 382 HA ALA 50 HA ALA 50 3.014 -10.392 -19.565 383 HB1 ALA 50 1HB ALA 50 4.872 -10.535 -21.168 384 HB2 ALA 50 2HB ALA 50 3.407 -9.867 -21.925 385 HB3 ALA 50 3HB ALA 50 4.745 -8.786 -21.467 386 H ILE 51 HN ILE 51 4.211 -11.076 -17.950 387 HA ILE 51 HA ILE 51 6.068 -9.131 -16.697 388 HB ILE 51 HB ILE 51 4.932 -11.726 -15.571 389 HG12 ILE 51 2HG1 ILE 51 4.178 -8.860 -14.921 390 HG13 ILE 51 3HG1 ILE 51 3.239 -9.934 -15.985 391 HG21 ILE 51 1HG2 ILE 51 5.801 -10.893 -13.418 392 HG22 ILE 51 2HG2 ILE 51 7.109 -11.096 -14.608 393 HG23 ILE 51 3HG2 ILE 51 6.482 -9.471 -14.244 394 HD11 ILE 51 3HD1 ILE 51 3.822 -10.403 -13.051 395 HD12 ILE 51 1HD1 ILE 51 2.273 -9.853 -13.725 396 HD13 ILE 51 2HD1 ILE 51 2.882 -11.476 -14.116 397 H SER 52 HN SER 52 8.213 -9.412 -16.852 398 HA SER 52 HA SER 52 9.184 -12.156 -17.472 399 HB2 SER 52 2HB SER 52 11.004 -10.970 -18.824 400 HB3 SER 52 3HB SER 52 9.377 -11.009 -19.545 401 HG SER 52 HG SER 52 10.349 -8.928 -19.652 402 HA PRO 53 HA PRO 53 12.124 -11.731 -14.190 403 HB2 PRO 53 2HB PRO 53 14.302 -12.389 -16.166 404 HB3 PRO 53 3HB PRO 53 13.824 -13.202 -14.640 405 HG2 PRO 53 2HG PRO 53 13.271 -14.227 -17.042 406 HG3 PRO 53 3HG PRO 53 12.206 -14.476 -15.619 407 HD2 PRO 53 2HD PRO 53 11.880 -12.716 -18.032 408 HD3 PRO 53 3HD PRO 53 10.639 -13.515 -17.018 409 H GLN 54 HN GLN 54 12.857 -10.228 -17.325 410 HA GLN 54 HA GLN 54 14.767 -8.357 -16.134 411 HB2 GLN 54 2HB GLN 54 13.553 -8.500 -18.912 412 HB3 GLN 54 3HB GLN 54 14.851 -7.392 -18.409 413 HG2 GLN 54 2HG GLN 54 16.268 -9.366 -17.894 414 HG3 GLN 54 3HG GLN 54 14.983 -10.413 -18.537 415 HE21 GLN 54 1HE2 GLN 54 17.456 -8.033 -19.295 416 HE22 GLN 54 2HE2 GLN 54 17.465 -8.296 -21.026 417 H ASN 55 HN ASN 55 11.612 -8.068 -17.850 418 HA ASN 55 HA ASN 55 11.382 -5.358 -16.631 419 HB2 ASN 55 2HB ASN 55 11.614 -5.320 -19.068 420 HB3 ASN 55 3HB ASN 55 10.243 -6.439 -19.234 421 HD21 ASN 55 1HD2 ASN 55 8.170 -5.686 -19.144 422 HD22 ASN 55 2HD2 ASN 55 7.768 -3.985 -19.029 423 H SER 56 HN SER 56 9.725 -4.905 -15.367 424 HA SER 56 HA SER 56 8.105 -7.041 -14.375 425 HB2 SER 56 2HB SER 56 7.679 -4.057 -13.997 426 HB3 SER 56 3HB SER 56 7.145 -5.374 -12.926 427 HG SER 56 HG SER 56 9.057 -4.337 -12.178 428 H GLY 57 HN GLY 57 5.778 -7.127 -14.294 429 HA2 GLY 57 1HA GLY 57 4.526 -5.922 -16.718 430 HA3 GLY 57 2HA GLY 57 4.126 -7.539 -16.096 431 H LEU 58 HN LEU 58 1.892 -6.678 -16.102 432 HA LEU 58 HA LEU 58 1.396 -5.063 -13.650 433 HB2 LEU 58 2HB LEU 58 0.034 -4.860 -16.347 434 HB3 LEU 58 3HB LEU 58 -0.587 -4.113 -14.854 435 HG LEU 58 HG LEU 58 2.037 -3.482 -16.220 436 HD11 LEU 58 1HD1 LEU 58 0.986 -1.310 -16.699 437 HD12 LEU 58 2HD1 LEU 58 0.075 -2.649 -17.433 438 HD13 LEU 58 3HD1 LEU 58 -0.522 -1.876 -15.946 439 HD21 LEU 58 3HD2 LEU 58 2.193 -3.263 -13.781 440 HD22 LEU 58 1HD2 LEU 58 2.226 -1.668 -14.566 441 HD23 LEU 58 2HD2 LEU 58 0.738 -2.237 -13.775 442 H VAL 59 HN VAL 59 0.105 -5.969 -12.237 443 HA VAL 59 HA VAL 59 -1.812 -8.043 -13.196 444 HB VAL 59 HB VAL 59 -0.735 -7.762 -10.373 445 HG11 VAL 59 1HG1 VAL 59 -1.576 -10.051 -10.083 446 HG12 VAL 59 2HG1 VAL 59 -2.868 -8.933 -10.575 447 HG13 VAL 59 3HG1 VAL 59 -2.153 -10.048 -11.765 448 HG21 VAL 59 3HG2 VAL 59 1.139 -8.253 -11.865 449 HG22 VAL 59 1HG2 VAL 59 0.761 -9.655 -10.838 450 HG23 VAL 59 2HG2 VAL 59 0.249 -9.638 -12.540 451 H LYS 60 HN LYS 60 -3.875 -8.045 -12.093 452 HA LYS 60 HA LYS 60 -4.521 -5.370 -10.942 453 HB2 LYS 60 2HB LYS 60 -5.434 -5.612 -13.202 454 HB3 LYS 60 3HB LYS 60 -6.238 -7.126 -12.725 455 HG2 LYS 60 2HG LYS 60 -7.602 -5.878 -11.099 456 HG3 LYS 60 3HG LYS 60 -6.813 -4.366 -11.608 457 HD2 LYS 60 2HD LYS 60 -9.008 -4.654 -12.679 458 HD3 LYS 60 3HD LYS 60 -7.688 -4.649 -13.873 459 HE2 LYS 60 2HE LYS 60 -7.753 -7.092 -13.979 460 HE3 LYS 60 3HE LYS 60 -9.031 -7.127 -12.745 461 HZ1 LYS 60 3HZ LYS 60 -9.256 -5.897 -15.409 462 HZ2 LYS 60 1HZ LYS 60 -9.924 -7.334 -14.955 463 HZ3 LYS 60 2HZ LYS 60 -10.442 -5.929 -14.263 464 H VAL 61 HN VAL 61 -4.954 -5.556 -8.864 465 HA VAL 61 HA VAL 61 -6.196 -8.060 -7.902 466 HB VAL 61 HB VAL 61 -5.151 -5.742 -6.240 467 HG11 VAL 61 1HG1 VAL 61 -5.124 -7.405 -4.424 468 HG12 VAL 61 2HG1 VAL 61 -6.757 -7.210 -5.103 469 HG13 VAL 61 3HG1 VAL 61 -5.775 -8.631 -5.538 470 HG21 VAL 61 3HG2 VAL 61 -3.338 -6.674 -7.602 471 HG22 VAL 61 1HG2 VAL 61 -3.126 -7.093 -5.886 472 HG23 VAL 61 2HG2 VAL 61 -3.740 -8.311 -7.029 473 H ASP 62 HN ASP 62 -8.094 -7.352 -9.151 474 HA ASP 62 HA ASP 62 -10.255 -6.696 -9.203 475 HB2 ASP 62 2HB ASP 62 -9.793 -6.156 -6.258 476 HB3 ASP 62 3HB ASP 62 -11.373 -5.984 -7.054 477 HD2 ASP 62 2HD ASP 62 -11.304 -9.565 -7.668 478 H GLY 63 HN GLY 63 -9.068 -4.278 -6.836 479 HA2 GLY 63 1HA GLY 63 -10.407 -2.241 -8.485 480 HA3 GLY 63 2HA GLY 63 -9.830 -2.057 -6.813 481 H GLU 64 HN GLU 64 -7.144 -3.201 -7.511 482 HA GLU 64 HA GLU 64 -6.137 -0.675 -8.736 483 HB2 GLU 64 2HB GLU 64 -4.953 -2.370 -6.516 484 HB3 GLU 64 3HB GLU 64 -4.202 -0.918 -7.221 485 HG2 GLU 64 2HG GLU 64 -6.870 -0.974 -5.796 486 HG3 GLU 64 3HG GLU 64 -5.324 -0.516 -5.047 487 HE2 GLU 64 2HE GLU 64 -5.263 2.492 -6.935 488 H THR 65 HN THR 65 -4.536 -0.749 -10.216 489 HA THR 65 HA THR 65 -3.604 -3.434 -11.061 490 HB THR 65 HB THR 65 -3.137 -0.769 -12.453 491 HG1 THR 65 1HG THR 65 -4.946 -1.397 -13.754 492 HG21 THR 65 3HG2 THR 65 -3.088 -3.643 -13.444 493 HG22 THR 65 1HG2 THR 65 -2.792 -2.198 -14.436 494 HG23 THR 65 2HG2 THR 65 -1.664 -2.623 -13.129 495 H TRP 66 HN TRP 66 -1.627 -4.111 -10.498 496 HA TRP 66 HA TRP 66 0.243 -2.072 -9.382 497 HB2 TRP 66 2HB TRP 66 -0.169 -4.972 -8.570 498 HB3 TRP 66 3HB TRP 66 1.091 -3.909 -7.927 499 HD1 TRP 66 1HD TRP 66 -2.693 -4.550 -7.721 500 HE1 TRP 66 1HE TRP 66 -3.656 -3.333 -5.690 501 HE3 TRP 66 3HE TRP 66 1.465 -1.869 -6.428 502 HZ2 TRP 66 2HZ TRP 66 -2.740 -1.447 -3.779 503 HZ3 TRP 66 3HZ TRP 66 1.339 -0.363 -4.482 504 HH2 TRP 66 2HH TRP 66 -0.730 -0.177 -3.159 505 H ARG 67 HN ARG 67 2.504 -2.455 -9.634 506 HA ARG 67 HA ARG 67 3.197 -3.902 -12.079 507 HB2 ARG 67 2HB ARG 67 4.798 -2.298 -10.074 508 HB3 ARG 67 3HB ARG 67 5.553 -3.201 -11.409 509 HG2 ARG 67 2HG ARG 67 5.360 -0.906 -12.051 510 HG3 ARG 67 3HG ARG 67 4.199 -1.857 -13.008 511 HD2 ARG 67 2HD ARG 67 2.360 -1.078 -11.738 512 HD3 ARG 67 3HD ARG 67 3.414 -0.430 -10.463 513 HE ARG 67 HE ARG 67 4.135 0.926 -12.777 514 HH11 ARG 67 2HH1 ARG 67 1.181 0.499 -10.895 515 HH12 ARG 67 1HH1 ARG 67 0.533 2.062 -11.329 516 HH21 ARG 67 2HH2 ARG 67 3.270 2.962 -13.331 517 HH22 ARG 67 1HH2 ARG 67 1.713 3.454 -12.706 518 H ALA 68 HN ALA 68 4.411 -5.783 -12.186 519 HA ALA 68 HA ALA 68 4.908 -7.114 -9.581 520 HB1 ALA 68 1HB ALA 68 3.930 -9.197 -10.452 521 HB2 ALA 68 2HB ALA 68 2.733 -7.881 -10.417 522 HB3 ALA 68 3HB ALA 68 3.488 -8.357 -11.957 523 H THR 69 HN THR 69 6.639 -8.366 -9.440 524 HA THR 69 HA THR 69 8.265 -8.747 -11.905 525 HB THR 69 HB THR 69 10.164 -9.062 -10.174 526 HG1 THR 69 1HG THR 69 9.755 -7.937 -8.196 527 HG21 THR 69 3HG2 THR 69 8.897 -6.322 -10.492 528 HG22 THR 69 1HG2 THR 69 10.587 -6.640 -10.039 529 HG23 THR 69 2HG2 THR 69 9.999 -7.106 -11.650 530 H SER 70 HN SER 70 9.139 -10.779 -12.300 531 HA SER 70 HA SER 70 8.536 -12.933 -10.372 532 HB2 SER 70 2HB SER 70 7.634 -12.978 -13.278 533 HB3 SER 70 3HB SER 70 7.496 -14.321 -12.118 534 HG SER 70 HG SER 70 5.556 -13.102 -12.304 535 H GLY 71 HN GLY 71 9.701 -14.917 -10.833 536 HA2 GLY 71 1HA GLY 71 12.224 -14.358 -12.271 537 HA3 GLY 71 2HA GLY 71 11.914 -15.702 -11.148 538 H THR 72 HN THR 72 9.309 -15.298 -13.176 539 HA THR 72 HA THR 72 10.383 -17.207 -15.193 540 HB THR 72 HB THR 72 7.495 -17.310 -14.352 541 HG1 THR 72 1HG THR 72 8.090 -18.855 -12.737 542 HG21 THR 72 3HG2 THR 72 9.488 -19.427 -15.236 543 HG22 THR 72 1HG2 THR 72 7.754 -19.693 -14.946 544 HG23 THR 72 2HG2 THR 72 8.280 -18.635 -16.274 545 H VAL 73 HN VAL 73 8.911 -17.229 -17.186 546 HA VAL 73 HA VAL 73 8.179 -14.439 -17.806 547 HB VAL 73 HB VAL 73 8.307 -16.867 -19.634 548 HG11 VAL 73 1HG1 VAL 73 8.217 -15.224 -21.463 549 HG12 VAL 73 2HG1 VAL 73 6.766 -15.137 -20.439 550 HG13 VAL 73 3HG1 VAL 73 8.046 -13.911 -20.275 551 HG21 VAL 73 3HG2 VAL 73 10.509 -16.276 -18.732 552 HG22 VAL 73 1HG2 VAL 73 10.405 -15.888 -20.465 553 HG23 VAL 73 2HG2 VAL 73 10.278 -14.590 -19.255 554 H LEU 74 HN LEU 74 6.168 -13.837 -17.340 555 HA LEU 74 HA LEU 74 4.054 -15.918 -17.377 556 HB2 LEU 74 2HB LEU 74 4.040 -13.147 -16.156 557 HB3 LEU 74 3HB LEU 74 2.769 -14.383 -15.997 558 HG LEU 74 HG LEU 74 5.598 -14.572 -14.926 559 HD11 LEU 74 1HD1 LEU 74 4.526 -14.432 -12.719 560 HD12 LEU 74 2HD1 LEU 74 4.201 -12.981 -13.696 561 HD13 LEU 74 3HD1 LEU 74 2.943 -14.225 -13.504 562 HD21 LEU 74 3HD2 LEU 74 4.715 -16.758 -15.604 563 HD22 LEU 74 1HD2 LEU 74 4.827 -16.638 -13.832 564 HD23 LEU 74 2HD2 LEU 74 3.249 -16.472 -14.635 565 H ASP 75 HN ASP 75 2.540 -15.942 -18.854 566 HA ASP 75 HA ASP 75 2.672 -13.960 -20.997 567 HB2 ASP 75 2HB ASP 75 0.857 -16.378 -20.678 568 HB3 ASP 75 3HB ASP 75 1.146 -15.454 -22.168 569 HD2 ASP 75 2HD ASP 75 3.735 -18.231 -21.109 570 H VAL 76 HN VAL 76 0.713 -12.991 -21.906 571 HA VAL 76 HA VAL 76 -0.837 -11.702 -19.853 572 HB VAL 76 HB VAL 76 -1.315 -11.755 -22.856 573 HG11 VAL 76 1HG1 VAL 76 -2.489 -9.624 -22.483 574 HG12 VAL 76 2HG1 VAL 76 -3.242 -10.952 -21.571 575 HG13 VAL 76 3HG1 VAL 76 -2.202 -9.774 -20.735 576 HG21 VAL 76 3HG2 VAL 76 0.956 -10.999 -22.326 577 HG22 VAL 76 1HG2 VAL 76 -0.040 -9.651 -22.921 578 HG23 VAL 76 2HG2 VAL 76 0.299 -9.804 -21.182 579 H GLY 77 HN GLY 77 -2.808 -12.189 -19.044 580 HA2 GLY 77 1HA GLY 77 -4.973 -13.146 -19.138 581 HA3 GLY 77 2HA GLY 77 -4.442 -14.202 -20.465 582 H GLU 78 HN GLU 78 -2.000 -14.268 -18.263 583 HA GLU 78 HA GLU 78 -2.800 -16.862 -17.247 584 HB2 GLU 78 2HB GLU 78 -0.392 -15.125 -17.197 585 HB3 GLU 78 3HB GLU 78 -0.578 -16.276 -15.854 586 HG2 GLU 78 2HG GLU 78 -0.793 -17.110 -18.739 587 HG3 GLU 78 3HG GLU 78 0.762 -17.030 -17.882 588 HE2 GLU 78 2HE GLU 78 -0.283 -20.388 -17.359 589 H GLU 79 HN GLU 79 -2.556 -17.401 -14.975 590 HA GLU 79 HA GLU 79 -3.763 -15.296 -13.237 591 HB2 GLU 79 2HB GLU 79 -4.031 -18.318 -13.142 592 HB3 GLU 79 3HB GLU 79 -4.761 -17.173 -11.992 593 HG2 GLU 79 2HG GLU 79 -5.350 -16.969 -14.930 594 HG3 GLU 79 3HG GLU 79 -6.195 -18.160 -13.919 595 HE2 GLU 79 2HE GLU 79 -8.156 -15.726 -12.465 596 H VAL 80 HN VAL 80 -2.565 -14.685 -11.538 597 HA VAL 80 HA VAL 80 -0.338 -16.500 -10.764 598 HB VAL 80 HB VAL 80 1.049 -14.466 -10.333 599 HG11 VAL 80 1HG1 VAL 80 1.607 -14.051 -12.688 600 HG12 VAL 80 2HG1 VAL 80 1.314 -15.779 -12.382 601 HG13 VAL 80 3HG1 VAL 80 0.068 -14.793 -13.183 602 HG21 VAL 80 3HG2 VAL 80 -0.767 -12.837 -10.102 603 HG22 VAL 80 1HG2 VAL 80 0.390 -12.329 -11.353 604 HG23 VAL 80 2HG2 VAL 80 -1.173 -13.036 -11.824 605 H SER 81 HN SER 81 0.413 -16.373 -8.624 606 HA SER 81 HA SER 81 -1.588 -15.262 -6.731 607 HB2 SER 81 2HB SER 81 0.648 -17.285 -6.308 608 HB3 SER 81 3HB SER 81 -0.509 -16.742 -5.068 609 HG SER 81 HG SER 81 -1.130 -18.719 -6.059 610 H VAL 82 HN VAL 82 -1.104 -13.528 -5.519 611 HA VAL 82 HA VAL 82 1.522 -12.309 -5.755 612 HB VAL 82 HB VAL 82 -0.750 -11.581 -3.869 613 HG11 VAL 82 1HG1 VAL 82 0.324 -9.369 -3.805 614 HG12 VAL 82 2HG1 VAL 82 1.421 -10.643 -3.225 615 HG13 VAL 82 3HG1 VAL 82 1.623 -9.971 -4.861 616 HG21 VAL 82 3HG2 VAL 82 -1.502 -11.548 -6.202 617 HG22 VAL 82 1HG2 VAL 82 -1.384 -9.899 -5.547 618 HG23 VAL 82 2HG2 VAL 82 -0.122 -10.513 -6.639 619 H LYS 83 HN LYS 83 3.187 -13.223 -4.757 620 HA LYS 83 HA LYS 83 2.683 -14.888 -2.382 621 HB2 LYS 83 2HB LYS 83 4.097 -15.412 -4.536 622 HB3 LYS 83 3HB LYS 83 5.363 -14.509 -3.668 623 HG2 LYS 83 2HG LYS 83 5.285 -16.061 -1.828 624 HG3 LYS 83 3HG LYS 83 3.892 -16.906 -2.547 625 HD2 LYS 83 2HD LYS 83 5.297 -17.422 -4.533 626 HD3 LYS 83 3HD LYS 83 6.686 -16.690 -3.693 627 HE2 LYS 83 2HE LYS 83 6.517 -18.355 -1.918 628 HE3 LYS 83 3HE LYS 83 5.083 -19.062 -2.694 629 HZ1 LYS 83 3HZ LYS 83 7.779 -18.936 -3.869 630 HZ2 LYS 83 1HZ LYS 83 7.073 -20.280 -3.225 631 HZ3 LYS 83 2HZ LYS 83 6.449 -19.593 -4.589 632 H ALA 84 HN ALA 84 4.338 -11.912 -3.326 633 HA ALA 84 HA ALA 84 4.486 -11.054 -0.575 634 HB1 ALA 84 1HB ALA 84 6.940 -10.860 -0.429 635 HB2 ALA 84 2HB ALA 84 6.433 -12.558 -0.590 636 HB3 ALA 84 3HB ALA 84 7.097 -11.689 -1.995 637 H ILE 85 HN ILE 85 5.974 -8.967 -0.514 638 HA ILE 85 HA ILE 85 5.601 -7.485 -3.073 639 HB ILE 85 HB ILE 85 5.291 -6.364 -0.255 640 HG12 ILE 85 2HG1 ILE 85 3.205 -6.942 -2.381 641 HG13 ILE 85 3HG1 ILE 85 3.429 -7.836 -0.858 642 HG21 ILE 85 1HG2 ILE 85 4.527 -4.318 -1.397 643 HG22 ILE 85 2HG2 ILE 85 6.190 -4.740 -1.867 644 HG23 ILE 85 3HG2 ILE 85 4.837 -5.082 -2.973 645 HD11 ILE 85 3HD1 ILE 85 2.624 -4.926 -1.111 646 HD12 ILE 85 1HD1 ILE 85 1.537 -6.270 -0.701 647 HD13 ILE 85 2HD1 ILE 85 2.848 -5.822 0.411 648 H GLU 86 HN GLU 86 7.350 -6.313 -3.760 649 HA GLU 86 HA GLU 86 9.642 -6.069 -1.885 650 HB2 GLU 86 2HB GLU 86 9.912 -8.066 -3.356 651 HB3 GLU 86 3HB GLU 86 9.847 -6.983 -4.767 652 HG2 GLU 86 2HG GLU 86 11.885 -5.930 -4.165 653 HG3 GLU 86 3HG GLU 86 11.887 -6.692 -2.560 654 HE2 GLU 86 2HE GLU 86 13.359 -9.557 -3.781 655 H GLY 87 HN GLY 87 9.969 -3.958 -1.644 656 HA2 GLY 87 1HA GLY 87 10.311 -1.748 -2.241 657 HA3 GLY 87 2HA GLY 87 10.251 -2.228 -3.953 658 H VAL 88 HN VAL 88 8.616 -1.424 -5.065 659 HA VAL 88 HA VAL 88 6.021 -1.040 -3.641 660 HB VAL 88 HB VAL 88 6.919 0.495 -6.104 661 HG11 VAL 88 1HG1 VAL 88 5.096 2.028 -5.491 662 HG12 VAL 88 2HG1 VAL 88 4.499 0.372 -5.740 663 HG13 VAL 88 3HG1 VAL 88 4.709 1.003 -4.090 664 HG21 VAL 88 3HG2 VAL 88 8.450 1.018 -4.262 665 HG22 VAL 88 1HG2 VAL 88 7.398 2.405 -4.628 666 HG23 VAL 88 2HG2 VAL 88 7.065 1.387 -3.207 667 H LYS 89 HN LYS 89 7.580 -3.148 -5.448 668 HA LYS 89 HA LYS 89 5.343 -3.590 -7.363 669 HB2 LYS 89 2HB LYS 89 8.225 -4.538 -7.415 670 HB3 LYS 89 3HB LYS 89 6.971 -5.053 -8.568 671 HG2 LYS 89 2HG LYS 89 6.704 -2.721 -9.303 672 HG3 LYS 89 3HG LYS 89 7.980 -2.223 -8.166 673 HD2 LYS 89 2HD LYS 89 8.339 -4.223 -10.424 674 HD3 LYS 89 3HD LYS 89 8.804 -2.506 -10.497 675 HE2 LYS 89 2HE LYS 89 9.853 -4.446 -8.418 676 HE3 LYS 89 3HE LYS 89 10.675 -4.112 -9.957 677 HZ1 LYS 89 3HZ LYS 89 10.054 -2.122 -7.881 678 HZ2 LYS 89 1HZ LYS 89 11.541 -2.769 -8.178 679 HZ3 LYS 89 2HZ LYS 89 10.818 -1.814 -9.310 680 H LEU 90 HN LEU 90 4.570 -5.736 -7.659 681 HA LEU 90 HA LEU 90 4.608 -7.241 -5.137 682 HB2 LEU 90 2HB LEU 90 3.047 -7.745 -7.688 683 HB3 LEU 90 3HB LEU 90 2.795 -8.534 -6.113 684 HG LEU 90 HG LEU 90 2.304 -5.622 -6.777 685 HD11 LEU 90 1HD1 LEU 90 -0.058 -6.208 -6.387 686 HD12 LEU 90 2HD1 LEU 90 0.638 -7.170 -7.711 687 HD13 LEU 90 3HD1 LEU 90 0.410 -7.902 -6.105 688 HD21 LEU 90 3HD2 LEU 90 3.118 -5.899 -4.478 689 HD22 LEU 90 1HD2 LEU 90 1.394 -5.461 -4.496 690 HD23 LEU 90 2HD2 LEU 90 1.881 -7.143 -4.184 691 H VAL 91 HN VAL 91 5.225 -9.353 -4.919 692 HA VAL 91 HA VAL 91 6.846 -10.464 -7.142 693 HB VAL 91 HB VAL 91 6.732 -11.327 -4.225 694 HG11 VAL 91 1HG1 VAL 91 8.729 -12.657 -4.770 695 HG12 VAL 91 2HG1 VAL 91 7.332 -13.146 -5.756 696 HG13 VAL 91 3HG1 VAL 91 8.613 -12.135 -6.467 697 HG21 VAL 91 3HG2 VAL 91 7.710 -9.093 -4.472 698 HG22 VAL 91 1HG2 VAL 91 8.950 -10.286 -4.020 699 HG23 VAL 91 2HG2 VAL 91 8.837 -9.714 -5.702 700 H VAL 92 HN VAL 92 5.474 -11.536 -8.461 701 HA VAL 92 HA VAL 92 3.481 -13.312 -7.147 702 HB VAL 92 HB VAL 92 2.038 -13.022 -9.106 703 HG11 VAL 92 1HG1 VAL 92 1.384 -10.675 -8.772 704 HG12 VAL 92 2HG1 VAL 92 1.766 -11.472 -7.228 705 HG13 VAL 92 3HG1 VAL 92 2.939 -10.357 -7.971 706 HG21 VAL 92 3HG2 VAL 92 3.775 -12.665 -10.798 707 HG22 VAL 92 1HG2 VAL 92 2.556 -11.371 -10.855 708 HG23 VAL 92 2HG2 VAL 92 4.137 -11.069 -10.100 709 H GLU 93 HN GLU 93 2.962 -15.287 -8.228 710 HA GLU 93 HA GLU 93 4.651 -15.992 -10.517 711 HB2 GLU 93 2HB GLU 93 5.110 -18.269 -9.420 712 HB3 GLU 93 3HB GLU 93 6.117 -16.872 -8.974 713 HG2 GLU 93 2HG GLU 93 4.659 -16.599 -6.941 714 HG3 GLU 93 3HG GLU 93 3.905 -18.153 -7.361 715 HE2 GLU 93 2HE GLU 93 7.745 -18.290 -6.258 716 H LYS 94 HN LYS 94 3.964 -17.941 -11.591 717 HA LYS 94 HA LYS 94 1.164 -17.679 -12.086 718 HB2 LYS 94 2HB LYS 94 2.728 -18.158 -13.857 719 HB3 LYS 94 3HB LYS 94 3.269 -19.646 -13.042 720 HG2 LYS 94 2HG LYS 94 0.973 -20.576 -13.371 721 HG3 LYS 94 3HG LYS 94 0.581 -19.133 -14.337 722 HD2 LYS 94 2HD LYS 94 1.947 -19.755 -16.082 723 HD3 LYS 94 3HD LYS 94 3.046 -20.683 -15.034 724 HE2 LYS 94 2HE LYS 94 1.761 -22.158 -16.520 725 HE3 LYS 94 3HE LYS 94 1.375 -22.454 -14.811 726 HZ1 LYS 94 3HZ LYS 94 -0.253 -20.880 -16.687 727 HZ2 LYS 94 1HZ LYS 94 -0.591 -22.407 -16.172 728 HZ3 LYS 94 2HZ LYS 94 -0.611 -21.154 -15.102 729 H LEU 95 HN LEU 95 -0.561 -18.923 -11.634 730 HA LEU 95 HA LEU 95 -0.464 -20.947 -9.591 731 HB2 LEU 95 2HB LEU 95 -2.486 -19.869 -11.511 732 HB3 LEU 95 3HB LEU 95 -2.792 -21.468 -10.793 733 HG LEU 95 HG LEU 95 -2.514 -20.361 -8.533 734 HD11 LEU 95 1HD1 LEU 95 -2.879 -17.935 -8.431 735 HD12 LEU 95 2HD1 LEU 95 -1.373 -18.334 -9.288 736 HD13 LEU 95 3HD1 LEU 95 -2.819 -17.853 -10.207 737 HD21 LEU 95 3HD2 LEU 95 -4.690 -21.006 -9.467 738 HD22 LEU 95 1HD2 LEU 95 -4.819 -19.495 -8.536 739 HD23 LEU 95 2HD2 LEU 95 -4.796 -19.444 -10.315 740 H GLU 96 HN GLU 96 -1.651 -23.168 -10.218 741 HA GLU 96 HA GLU 96 -1.654 -25.133 -11.414 742 HB2 GLU 96 2HB GLU 96 -2.428 -23.620 -13.244 743 HB3 GLU 96 3HB GLU 96 -0.732 -23.416 -13.741 744 HG2 GLU 96 2HG GLU 96 -0.605 -25.840 -14.189 745 HG3 GLU 96 3HG GLU 96 -2.329 -25.981 -13.777 746 HE2 GLU 96 2HE GLU 96 -3.151 -25.138 -16.988 747 H GLU 97 HN GLU 97 0.644 -24.215 -9.896 748 HA GLU 97 HA GLU 97 3.100 -24.872 -11.186 749 HB2 GLU 97 2HB GLU 97 2.350 -23.973 -8.704 750 HB3 GLU 97 3HB GLU 97 2.828 -25.650 -8.349 751 HG2 GLU 97 2HG GLU 97 4.575 -23.660 -9.814 752 HG3 GLU 97 3HG GLU 97 4.636 -23.937 -8.060 753 HE2 GLU 97 2HE GLU 97 6.282 -26.616 -10.468 754 H GLN 98 HN GLN 98 4.335 -26.864 -11.042 755 HA GLN 98 HA GLN 98 4.528 -29.109 -11.483 756 HB2 GLN 98 2HB GLN 98 3.583 -29.247 -9.123 757 HB3 GLN 98 3HB GLN 98 1.994 -29.520 -9.876 758 HG2 GLN 98 2HG GLN 98 3.037 -31.489 -11.073 759 HG3 GLN 98 3HG GLN 98 4.453 -31.271 -10.021 760 HE21 GLN 98 1HE2 GLN 98 2.616 -33.551 -10.222 761 HE22 GLN 98 2HE2 GLN 98 1.938 -33.763 -8.621 762 H LYS 99 HN LYS 99 3.379 -27.470 -13.343 763 HA LYS 99 HA LYS 99 0.827 -28.131 -14.311 764 HB2 LYS 99 2HB LYS 99 2.208 -26.197 -15.018 765 HB3 LYS 99 3HB LYS 99 3.276 -27.312 -15.904 766 HG2 LYS 99 2HG LYS 99 1.465 -27.922 -17.397 767 HG3 LYS 99 3HG LYS 99 0.324 -26.919 -16.469 768 HD2 LYS 99 2HD LYS 99 1.666 -24.916 -17.016 769 HD3 LYS 99 3HD LYS 99 2.765 -25.931 -17.981 770 HE2 LYS 99 2HE LYS 99 1.119 -24.754 -19.387 771 HE3 LYS 99 3HE LYS 99 0.946 -26.520 -19.489 772 HZ1 LYS 99 3HZ LYS 99 -0.718 -24.725 -17.856 773 HZ2 LYS 99 1HZ LYS 99 -1.171 -25.429 -19.276 774 HZ3 LYS 99 2HZ LYS 99 -0.880 -26.364 -17.951 775 H GLY 100 HN GLY 100 0.115 -30.106 -14.718 776 HA2 GLY 100 1HA GLY 100 0.191 -31.908 -16.425 777 HA3 GLY 100 2HA GLY 100 1.949 -31.967 -16.160 778 H SER 101 HN SER 101 2.594 -33.609 -14.942 779 HA SER 101 HA SER 101 1.109 -34.159 -12.453 780 HB2 SER 101 2HB SER 101 1.814 -36.290 -14.504 781 HB3 SER 101 3HB SER 101 1.254 -36.612 -12.845 782 HG SER 101 HG SER 101 -0.452 -36.667 -14.388 Start of MODEL 11 1 H1 MET 1 HN MET 1 14.282 4.361 -38.129 2 HA MET 1 HA MET 1 13.208 4.140 -35.505 3 HB2 MET 1 2HB MET 1 11.024 4.056 -36.600 4 HB3 MET 1 3HB MET 1 11.578 2.723 -37.640 5 HG2 MET 1 2HG MET 1 11.834 1.284 -35.680 6 HG3 MET 1 3HG MET 1 11.325 2.611 -34.623 7 HE1 MET 1 3HE MET 1 10.241 0.120 -37.473 8 HE2 MET 1 1HE MET 1 8.555 0.607 -37.763 9 HE3 MET 1 2HE MET 1 9.884 1.709 -38.191 10 H GLY 2 HN GLY 2 14.742 2.910 -34.634 11 HA2 GLY 2 1HA GLY 2 16.113 0.934 -36.304 12 HA3 GLY 2 2HA GLY 2 16.529 1.413 -34.642 13 H SER 3 HN SER 3 14.380 -0.560 -36.645 14 HA SER 3 HA SER 3 13.093 -1.930 -34.494 15 HB2 SER 3 2HB SER 3 13.691 -2.914 -37.307 16 HB3 SER 3 3HB SER 3 12.458 -3.556 -36.195 17 HG SER 3 HG SER 3 11.590 -2.078 -37.729 18 H SER 4 HN SER 4 15.620 -3.153 -36.736 19 HA SER 4 HA SER 4 17.181 -4.811 -36.464 20 HB2 SER 4 2HB SER 4 18.807 -4.282 -34.606 21 HB3 SER 4 3HB SER 4 18.420 -2.918 -35.683 22 HG SER 4 HG SER 4 18.364 -2.338 -33.455 23 H HIS 5 HN HIS 5 15.628 -6.570 -36.121 24 HA HIS 5 HA HIS 5 15.136 -7.388 -33.368 25 HB2 HIS 5 2HB HIS 5 14.582 -8.733 -36.030 26 HB3 HIS 5 3HB HIS 5 14.156 -9.436 -34.459 27 HD1 HIS 5 1HD HIS 5 12.226 -8.318 -33.123 28 HD2 HIS 5 2HD HIS 5 12.901 -6.668 -36.900 29 HE1 HIS 5 1HE HIS 5 10.198 -6.896 -33.642 30 HE2 HIS 5 2HE HIS 5 10.602 -5.898 -35.943 31 H HIS 6 HN HIS 6 17.358 -7.476 -32.660 32 HA HIS 6 HA HIS 6 19.202 -9.360 -33.821 33 HB2 HIS 6 2HB HIS 6 19.145 -8.127 -31.044 34 HB3 HIS 6 3HB HIS 6 20.501 -9.033 -31.739 35 HD1 HIS 6 1HD HIS 6 21.824 -7.871 -33.709 36 HD2 HIS 6 2HD HIS 6 19.009 -5.466 -31.781 37 HE1 HIS 6 1HE HIS 6 22.385 -5.484 -34.340 38 HE2 HIS 6 2HE HIS 6 20.673 -4.023 -33.164 39 H HIS 7 HN HIS 7 18.817 -11.495 -33.840 40 HA HIS 7 HA HIS 7 17.280 -12.641 -31.595 41 HB2 HIS 7 2HB HIS 7 18.056 -13.661 -34.329 42 HB3 HIS 7 3HB HIS 7 17.408 -14.736 -33.076 43 HD1 HIS 7 1HD HIS 7 16.332 -12.777 -35.859 44 HD2 HIS 7 2HD HIS 7 14.776 -13.589 -32.067 45 HE1 HIS 7 1HE HIS 7 13.853 -12.266 -35.986 46 HE2 HIS 7 2HE HIS 7 12.912 -12.762 -33.681 47 H HIS 8 HN HIS 8 18.020 -14.087 -30.191 48 HA HIS 8 HA HIS 8 20.925 -14.755 -30.320 49 HB2 HIS 8 2HB HIS 8 20.387 -13.379 -28.405 50 HB3 HIS 8 3HB HIS 8 19.006 -14.412 -27.990 51 HD1 HIS 8 1HD HIS 8 22.707 -14.116 -27.626 52 HD2 HIS 8 2HD HIS 8 19.685 -16.854 -26.732 53 HE1 HIS 8 1HE HIS 8 23.709 -15.763 -25.983 54 HE2 HIS 8 2HE HIS 8 21.868 -17.426 -25.440 55 H HIS 9 HN HIS 9 21.329 -16.835 -30.858 56 HA HIS 9 HA HIS 9 19.199 -18.719 -31.089 57 HB2 HIS 9 2HB HIS 9 20.912 -20.387 -31.604 58 HB3 HIS 9 3HB HIS 9 21.136 -18.889 -32.527 59 HD1 HIS 9 1HD HIS 9 23.278 -17.525 -32.109 60 HD2 HIS 9 2HD HIS 9 23.002 -21.001 -29.805 61 HE1 HIS 9 1HE HIS 9 25.589 -17.924 -31.148 62 HE2 HIS 9 2HE HIS 9 25.412 -20.029 -29.741 63 H HIS 10 HN HIS 10 18.103 -19.481 -29.440 64 HA HIS 10 HA HIS 10 19.469 -19.945 -26.883 65 HB2 HIS 10 2HB HIS 10 17.236 -18.859 -26.959 66 HB3 HIS 10 3HB HIS 10 16.558 -20.353 -27.632 67 HD1 HIS 10 1HD HIS 10 15.152 -21.267 -25.785 68 HD2 HIS 10 2HD HIS 10 18.917 -20.043 -24.444 69 HE1 HIS 10 1HE HIS 10 15.298 -21.960 -23.349 70 HE2 HIS 10 2HE HIS 10 17.579 -21.199 -22.540 71 H SER 11 HN SER 11 20.843 -21.595 -27.898 72 HA SER 11 HA SER 11 19.459 -24.200 -28.186 73 HB2 SER 11 2HB SER 11 22.347 -23.427 -28.731 74 HB3 SER 11 3HB SER 11 21.588 -24.998 -29.085 75 HG SER 11 HG SER 11 21.650 -23.606 -30.919 76 H SER 12 HN SER 12 19.223 -25.344 -26.413 77 HA SER 12 HA SER 12 20.527 -24.633 -23.968 78 HB2 SER 12 2HB SER 12 19.014 -27.190 -24.615 79 HB3 SER 12 3HB SER 12 19.286 -26.473 -23.008 80 HG SER 12 HG SER 12 17.199 -25.996 -23.853 81 H GLY 13 HN GLY 13 22.792 -24.785 -24.361 82 HA2 GLY 13 1HA GLY 13 23.965 -27.373 -24.949 83 HA3 GLY 13 2HA GLY 13 24.810 -25.918 -24.373 84 H ARG 14 HN ARG 14 24.457 -25.333 -22.062 85 HA ARG 14 HA ARG 14 23.742 -27.665 -20.372 86 HB2 ARG 14 2HB ARG 14 26.275 -26.028 -20.273 87 HB3 ARG 14 3HB ARG 14 25.642 -26.845 -18.824 88 HG2 ARG 14 2HG ARG 14 26.423 -28.173 -21.434 89 HG3 ARG 14 3HG ARG 14 27.357 -28.191 -19.919 90 HD2 ARG 14 2HD ARG 14 25.413 -29.298 -18.804 91 HD3 ARG 14 3HD ARG 14 24.611 -29.392 -20.387 92 HE ARG 14 HE ARG 14 27.283 -30.567 -20.281 93 HH11 ARG 14 2HH1 ARG 14 23.809 -31.090 -20.010 94 HH12 ARG 14 1HH1 ARG 14 23.927 -32.818 -20.255 95 HH21 ARG 14 2HH2 ARG 14 27.428 -32.814 -20.561 96 HH22 ARG 14 1HH2 ARG 14 25.979 -33.794 -20.568 97 H GLU 15 HN GLU 15 22.276 -25.228 -21.160 98 HA GLU 15 HA GLU 15 22.361 -23.426 -18.902 99 HB2 GLU 15 2HB GLU 15 21.564 -22.733 -21.140 100 HB3 GLU 15 3HB GLU 15 20.166 -23.820 -20.960 101 HG2 GLU 15 2HG GLU 15 19.376 -22.535 -19.053 102 HG3 GLU 15 3HG GLU 15 20.806 -21.485 -19.138 103 HE2 GLU 15 2HE GLU 15 17.832 -20.852 -21.680 104 H ASN 16 HN ASN 16 22.208 -24.680 -17.068 105 HA ASN 16 HA ASN 16 19.451 -25.592 -16.473 106 HB2 ASN 16 2HB ASN 16 20.852 -27.575 -17.100 107 HB3 ASN 16 3HB ASN 16 21.951 -27.168 -15.764 108 HD21 ASN 16 1HD2 ASN 16 21.611 -29.038 -14.591 109 HD22 ASN 16 2HD2 ASN 16 20.094 -29.395 -13.795 110 H LEU 17 HN LEU 17 18.791 -24.467 -14.765 111 HA LEU 17 HA LEU 17 20.877 -23.585 -12.828 112 HB2 LEU 17 2HB LEU 17 18.210 -22.327 -13.538 113 HB3 LEU 17 3HB LEU 17 19.316 -21.747 -12.270 114 HG LEU 17 HG LEU 17 19.931 -21.853 -15.235 115 HD11 LEU 17 1HD1 LEU 17 19.766 -19.398 -15.134 116 HD12 LEU 17 2HD1 LEU 17 18.227 -20.172 -14.689 117 HD13 LEU 17 3HD1 LEU 17 19.285 -19.502 -13.424 118 HD21 LEU 17 3HD2 LEU 17 21.919 -22.127 -13.822 119 HD22 LEU 17 1HD2 LEU 17 21.924 -20.542 -14.629 120 HD23 LEU 17 2HD2 LEU 17 21.479 -20.662 -12.912 121 H TYR 18 HN TYR 18 20.860 -24.740 -11.020 122 HA TYR 18 HA TYR 18 18.533 -26.156 -10.082 123 HB2 TYR 18 2HB TYR 18 20.757 -26.939 -9.519 124 HB3 TYR 18 3HB TYR 18 21.142 -25.402 -8.727 125 HD1 TYR 18 2HD TYR 18 18.949 -28.415 -8.474 126 HD2 TYR 18 1HD TYR 18 20.617 -25.056 -6.449 127 HE1 TYR 18 2HE TYR 18 18.124 -29.296 -6.334 128 HE2 TYR 18 1HE TYR 18 19.792 -25.935 -4.310 129 HH TYR 18 HH TYR 18 17.978 -28.989 -4.083 130 H PHE 19 HN PHE 19 16.764 -25.126 -9.415 131 HA PHE 19 HA PHE 19 17.076 -22.441 -8.245 132 HB2 PHE 19 2HB PHE 19 15.442 -22.818 -10.076 133 HB3 PHE 19 3HB PHE 19 14.560 -23.945 -9.032 134 HD1 PHE 19 1HD PHE 19 15.683 -20.401 -9.282 135 HD2 PHE 19 2HD PHE 19 12.943 -23.149 -7.524 136 HE1 PHE 19 1HE PHE 19 14.405 -18.524 -8.350 137 HE2 PHE 19 2HE PHE 19 11.659 -21.273 -6.591 138 HZ PHE 19 HZ PHE 19 12.388 -18.955 -7.002 139 H GLN 20 HN GLN 20 17.642 -22.567 -6.171 140 HA GLN 20 HA GLN 20 16.075 -24.328 -4.376 141 HB2 GLN 20 2HB GLN 20 18.528 -24.317 -4.154 142 HB3 GLN 20 3HB GLN 20 18.492 -22.564 -3.855 143 HG2 GLN 20 2HG GLN 20 18.771 -23.812 -1.783 144 HG3 GLN 20 3HG GLN 20 17.231 -22.926 -1.800 145 HE21 GLN 20 1HE2 GLN 20 16.340 -24.266 -0.201 146 HE22 GLN 20 2HE2 GLN 20 15.832 -25.904 -0.552 147 H GLY 21 HN GLY 21 14.190 -23.481 -3.711 148 HA2 GLY 21 1HA GLY 21 13.525 -20.742 -3.916 149 HA3 GLY 21 2HA GLY 21 12.654 -21.962 -2.959 150 H HIS 22 HN HIS 22 14.932 -19.335 -2.934 151 HA HIS 22 HA HIS 22 15.438 -19.635 -0.060 152 HB2 HIS 22 2HB HIS 22 16.781 -17.589 -0.305 153 HB3 HIS 22 3HB HIS 22 17.266 -18.849 -1.455 154 HD1 HIS 22 1HD HIS 22 17.332 -18.229 -3.882 155 HD2 HIS 22 2HD HIS 22 15.285 -15.413 -1.567 156 HE1 HIS 22 1HE HIS 22 16.876 -16.255 -5.404 157 HE2 HIS 22 2HE HIS 22 15.632 -14.550 -3.998 158 H MET 23 HN MET 23 14.764 -18.149 1.523 159 HA MET 23 HA MET 23 12.070 -17.262 1.212 160 HB2 MET 23 2HB MET 23 13.056 -17.946 3.362 161 HB3 MET 23 3HB MET 23 14.133 -16.529 3.316 162 HG2 MET 23 2HG MET 23 12.219 -15.034 3.465 163 HG3 MET 23 3HG MET 23 11.105 -16.410 3.411 164 HE1 MET 23 3HE MET 23 9.937 -15.428 5.620 165 HE2 MET 23 1HE MET 23 10.816 -15.070 7.124 166 HE3 MET 23 2HE MET 23 11.116 -14.096 5.667 167 H ALA 24 HN ALA 24 11.198 -15.385 0.597 168 HA ALA 24 HA ALA 24 12.971 -13.358 -0.525 169 HB1 ALA 24 1HB ALA 24 10.881 -12.297 -1.281 170 HB2 ALA 24 2HB ALA 24 10.920 -14.026 -1.699 171 HB3 ALA 24 3HB ALA 24 9.942 -13.466 -0.321 172 H ALA 25 HN ALA 25 12.577 -11.028 -0.079 173 HA ALA 25 HA ALA 25 12.714 -10.621 2.811 174 HB1 ALA 25 1HB ALA 25 13.368 -8.319 2.213 175 HB2 ALA 25 2HB ALA 25 14.328 -9.519 1.318 176 HB3 ALA 25 3HB ALA 25 12.998 -8.659 0.507 177 H ARG 26 HN ARG 26 11.159 -9.915 4.089 178 HA ARG 26 HA ARG 26 8.614 -9.045 2.883 179 HB2 ARG 26 2HB ARG 26 8.390 -10.674 4.618 180 HB3 ARG 26 3HB ARG 26 9.471 -9.765 5.702 181 HG2 ARG 26 2HG ARG 26 7.192 -9.513 6.445 182 HG3 ARG 26 3HG ARG 26 7.780 -7.956 5.813 183 HD2 ARG 26 2HD ARG 26 5.722 -8.025 4.815 184 HD3 ARG 26 3HD ARG 26 6.687 -8.847 3.570 185 HE ARG 26 HE ARG 26 5.872 -10.993 4.563 186 HH11 ARG 26 2HH1 ARG 26 4.103 -7.996 5.116 187 HH12 ARG 26 1HH1 ARG 26 2.566 -8.795 5.355 188 HH21 ARG 26 2HH2 ARG 26 3.853 -12.029 4.870 189 HH22 ARG 26 1HH2 ARG 26 2.425 -11.081 5.214 190 H ILE 27 HN ILE 27 8.252 -6.960 2.505 191 HA ILE 27 HA ILE 27 9.696 -4.969 4.157 192 HB ILE 27 HB ILE 27 8.197 -4.703 1.527 193 HG12 ILE 27 2HG1 ILE 27 10.449 -3.728 0.834 194 HG13 ILE 27 3HG1 ILE 27 11.085 -4.379 2.363 195 HG21 ILE 27 1HG2 ILE 27 8.744 -2.299 1.581 196 HG22 ILE 27 2HG2 ILE 27 7.686 -2.754 2.935 197 HG23 ILE 27 3HG2 ILE 27 9.425 -2.492 3.213 198 HD11 ILE 27 3HD1 ILE 27 9.820 -5.989 0.135 199 HD12 ILE 27 1HD1 ILE 27 11.557 -5.895 0.485 200 HD13 ILE 27 2HD1 ILE 27 10.458 -6.639 1.663 201 H THR 28 HN THR 28 6.417 -5.358 2.747 202 HA THR 28 HA THR 28 4.347 -4.965 3.607 203 HB THR 28 HB THR 28 5.734 -4.645 6.297 204 HG1 THR 28 1HG THR 28 4.907 -6.783 6.598 205 HG21 THR 28 3HG2 THR 28 2.788 -5.003 5.640 206 HG22 THR 28 1HG2 THR 28 3.490 -4.975 7.274 207 HG23 THR 28 2HG2 THR 28 3.547 -3.517 6.259 208 H GLY 29 HN GLY 29 3.128 -3.206 3.356 209 HA2 GLY 29 1HA GLY 29 4.409 -0.592 3.983 210 HA3 GLY 29 2HA GLY 29 3.198 -0.861 2.708 211 H GLU 30 HN GLU 30 2.578 1.163 4.235 212 HA GLU 30 HA GLU 30 1.200 0.418 6.664 213 HB2 GLU 30 2HB GLU 30 0.986 2.950 5.004 214 HB3 GLU 30 3HB GLU 30 0.413 2.731 6.674 215 HG2 GLU 30 2HG GLU 30 2.797 2.250 7.319 216 HG3 GLU 30 3HG GLU 30 3.267 2.751 5.681 217 HE2 GLU 30 2HE GLU 30 2.481 5.511 8.343 218 HA PRO 31 HA PRO 31 -2.797 -0.664 5.062 219 HB2 PRO 31 2HB PRO 31 -4.006 0.822 7.363 220 HB3 PRO 31 3HB PRO 31 -4.052 -0.922 6.950 221 HG2 PRO 31 2HG PRO 31 -2.615 0.033 8.995 222 HG3 PRO 31 3HG PRO 31 -2.119 -1.416 8.060 223 HD2 PRO 31 2HD PRO 31 -1.110 1.429 7.962 224 HD3 PRO 31 3HD PRO 31 -0.212 -0.109 7.787 225 H SER 32 HN SER 32 -1.659 2.508 5.291 226 HA SER 32 HA SER 32 -4.018 4.001 4.663 227 HB2 SER 32 2HB SER 32 -1.829 4.930 5.511 228 HB3 SER 32 3HB SER 32 -1.147 4.645 3.893 229 HG SER 32 HG SER 32 -1.936 6.790 4.159 230 H LYS 33 HN LYS 33 -4.452 5.083 2.575 231 HA LYS 33 HA LYS 33 -4.600 3.014 0.545 232 HB2 LYS 33 2HB LYS 33 -5.998 4.592 -0.670 233 HB3 LYS 33 3HB LYS 33 -6.500 4.485 1.035 234 HG2 LYS 33 2HG LYS 33 -5.254 6.587 1.486 235 HG3 LYS 33 3HG LYS 33 -4.898 6.708 -0.255 236 HD2 LYS 33 2HD LYS 33 -7.359 6.669 -0.695 237 HD3 LYS 33 3HD LYS 33 -7.628 6.727 1.063 238 HE2 LYS 33 2HE LYS 33 -6.348 8.853 1.151 239 HE3 LYS 33 3HE LYS 33 -6.197 8.806 -0.618 240 HZ1 LYS 33 3HZ LYS 33 -8.723 8.932 0.883 241 HZ2 LYS 33 1HZ LYS 33 -8.018 10.187 0.082 242 HZ3 LYS 33 2HZ LYS 33 -8.584 8.888 -0.759 243 H LYS 34 HN LYS 34 -2.325 5.453 1.251 244 HA LYS 34 HA LYS 34 -1.443 5.516 -1.589 245 HB2 LYS 34 2HB LYS 34 -1.758 7.673 -0.281 246 HB3 LYS 34 3HB LYS 34 -0.355 7.178 0.696 247 HG2 LYS 34 2HG LYS 34 1.062 7.172 -1.272 248 HG3 LYS 34 3HG LYS 34 -0.334 7.543 -2.312 249 HD2 LYS 34 2HD LYS 34 -0.616 9.699 -1.138 250 HD3 LYS 34 3HD LYS 34 0.810 9.329 -0.140 251 HE2 LYS 34 2HE LYS 34 2.217 9.249 -2.140 252 HE3 LYS 34 3HE LYS 34 0.799 9.550 -3.168 253 HZ1 LYS 34 3HZ LYS 34 1.873 11.399 -1.149 254 HZ2 LYS 34 1HZ LYS 34 2.054 11.547 -2.781 255 HZ3 LYS 34 2HZ LYS 34 0.558 11.678 -2.104 256 H ALA 35 HN ALA 35 -1.172 3.466 0.775 257 HA ALA 35 HA ALA 35 1.704 2.925 0.238 258 HB1 ALA 35 1HB ALA 35 1.886 2.001 2.511 259 HB2 ALA 35 2HB ALA 35 1.431 3.722 2.545 260 HB3 ALA 35 3HB ALA 35 0.201 2.469 2.836 261 H VAL 36 HN VAL 36 2.255 0.596 0.411 262 HA VAL 36 HA VAL 36 0.134 -0.890 -0.927 263 HB VAL 36 HB VAL 36 2.284 -1.097 -1.917 264 HG11 VAL 36 1HG1 VAL 36 4.257 -1.992 -0.752 265 HG12 VAL 36 2HG1 VAL 36 3.669 -0.495 0.007 266 HG13 VAL 36 3HG1 VAL 36 3.324 -2.071 0.760 267 HG21 VAL 36 3HG2 VAL 36 0.910 -3.121 -1.923 268 HG22 VAL 36 1HG2 VAL 36 2.640 -3.529 -1.878 269 HG23 VAL 36 2HG2 VAL 36 1.662 -3.647 -0.398 270 H SER 37 HN SER 37 -1.355 -1.838 0.162 271 HA SER 37 HA SER 37 -0.909 -2.791 2.885 272 HB2 SER 37 2HB SER 37 -3.320 -3.075 1.055 273 HB3 SER 37 3HB SER 37 -3.282 -3.356 2.813 274 HG SER 37 HG SER 37 -4.069 -1.265 2.262 275 H ASP 38 HN ASP 38 -0.522 -4.855 3.519 276 HA ASP 38 HA ASP 38 0.294 -6.664 1.369 277 HB2 ASP 38 2HB ASP 38 1.403 -7.929 3.074 278 HB3 ASP 38 3HB ASP 38 1.720 -6.205 3.367 279 HD2 ASP 38 2HD ASP 38 0.570 -8.077 6.400 280 H ARG 39 HN ARG 39 -2.638 -6.104 2.143 281 HA ARG 39 HA ARG 39 -3.594 -8.743 2.919 282 HB2 ARG 39 2HB ARG 39 -4.927 -6.226 1.910 283 HB3 ARG 39 3HB ARG 39 -5.826 -7.749 2.113 284 HG2 ARG 39 2HG ARG 39 -5.162 -7.779 4.499 285 HG3 ARG 39 3HG ARG 39 -4.373 -6.200 4.270 286 HD2 ARG 39 2HD ARG 39 -6.620 -5.955 5.234 287 HD3 ARG 39 3HD ARG 39 -6.510 -5.202 3.629 288 HE ARG 39 HE ARG 39 -7.559 -7.456 2.847 289 HH11 ARG 39 2HH1 ARG 39 -8.157 -5.946 5.962 290 HH12 ARG 39 1HH1 ARG 39 -9.804 -6.526 6.074 291 HH21 ARG 39 2HH2 ARG 39 -9.737 -8.165 2.965 292 HH22 ARG 39 1HH2 ARG 39 -10.702 -7.784 4.374 293 H LEU 40 HN LEU 40 -2.130 -7.655 0.173 294 HA LEU 40 HA LEU 40 -3.841 -9.062 -1.747 295 HB2 LEU 40 2HB LEU 40 -1.059 -7.897 -2.064 296 HB3 LEU 40 3HB LEU 40 -2.146 -8.428 -3.371 297 HG LEU 40 HG LEU 40 -2.641 -6.110 -1.480 298 HD11 LEU 40 1HD1 LEU 40 -2.259 -4.700 -3.461 299 HD12 LEU 40 2HD1 LEU 40 -0.821 -5.669 -3.065 300 HD13 LEU 40 3HD1 LEU 40 -1.874 -6.150 -4.418 301 HD21 LEU 40 3HD2 LEU 40 -4.716 -7.196 -2.220 302 HD22 LEU 40 1HD2 LEU 40 -4.536 -5.591 -2.966 303 HD23 LEU 40 2HD2 LEU 40 -4.190 -7.055 -3.915 304 H ILE 41 HN ILE 41 -1.257 -9.729 0.415 305 HA ILE 41 HA ILE 41 0.074 -11.824 -0.954 306 HB ILE 41 HB ILE 41 -0.338 -11.465 2.045 307 HG12 ILE 41 2HG1 ILE 41 0.664 -9.495 1.013 308 HG13 ILE 41 3HG1 ILE 41 1.844 -10.363 2.025 309 HG21 ILE 41 1HG2 ILE 41 1.696 -12.830 2.287 310 HG22 ILE 41 2HG2 ILE 41 0.403 -13.729 1.459 311 HG23 ILE 41 3HG2 ILE 41 1.756 -13.052 0.522 312 HD11 ILE 41 3HD1 ILE 41 1.659 -10.486 -0.993 313 HD12 ILE 41 1HD1 ILE 41 2.870 -9.578 -0.066 314 HD13 ILE 41 2HD1 ILE 41 2.839 -11.351 0.019 315 H GLY 42 HN GLY 42 -0.614 -13.762 -1.567 316 HA2 GLY 42 1HA GLY 42 -1.467 -15.907 -1.052 317 HA3 GLY 42 2HA GLY 42 -2.465 -15.193 0.235 318 H ARG 43 HN ARG 43 -3.027 -13.066 -2.106 319 HA ARG 43 HA ARG 43 -5.370 -14.630 -3.019 320 HB2 ARG 43 2HB ARG 43 -4.878 -11.672 -2.711 321 HB3 ARG 43 3HB ARG 43 -6.222 -12.304 -3.692 322 HG2 ARG 43 2HG ARG 43 -6.893 -13.646 -1.626 323 HG3 ARG 43 3HG ARG 43 -5.744 -12.629 -0.725 324 HD2 ARG 43 2HD ARG 43 -7.971 -11.487 -2.423 325 HD3 ARG 43 3HD ARG 43 -8.178 -11.891 -0.705 326 HE ARG 43 HE ARG 43 -6.025 -10.299 -0.583 327 HH11 ARG 43 2HH1 ARG 43 -8.971 -9.940 -2.483 328 HH12 ARG 43 1HH1 ARG 43 -8.984 -8.194 -2.361 329 HH21 ARG 43 2HH2 ARG 43 -6.084 -8.037 -0.380 330 HH22 ARG 43 1HH2 ARG 43 -7.345 -7.116 -1.169 331 H LYS 44 HN LYS 44 -6.228 -13.865 -5.233 332 HA LYS 44 HA LYS 44 -3.957 -14.457 -7.040 333 HB2 LYS 44 2HB LYS 44 -5.879 -16.077 -6.772 334 HB3 LYS 44 3HB LYS 44 -6.929 -14.846 -7.514 335 HG2 LYS 44 2HG LYS 44 -5.523 -14.902 -9.541 336 HG3 LYS 44 3HG LYS 44 -4.533 -16.181 -8.799 337 HD2 LYS 44 2HD LYS 44 -7.491 -16.346 -9.447 338 HD3 LYS 44 3HD LYS 44 -6.168 -17.130 -10.344 339 HE2 LYS 44 2HE LYS 44 -5.581 -18.404 -8.300 340 HE3 LYS 44 3HE LYS 44 -6.962 -17.662 -7.464 341 HZ1 LYS 44 3HZ LYS 44 -7.123 -19.371 -9.854 342 HZ2 LYS 44 1HZ LYS 44 -7.501 -19.832 -8.318 343 HZ3 LYS 44 2HZ LYS 44 -8.405 -18.683 -9.079 344 H GLY 45 HN GLY 45 -3.802 -13.515 -9.074 345 HA2 GLY 45 1HA GLY 45 -5.599 -11.274 -9.711 346 HA3 GLY 45 2HA GLY 45 -3.865 -10.920 -9.532 347 H VAL 46 HN VAL 46 -4.884 -10.349 -11.918 348 HA VAL 46 HA VAL 46 -4.166 -12.680 -13.632 349 HB VAL 46 HB VAL 46 -6.554 -12.045 -13.800 350 HG11 VAL 46 1HG1 VAL 46 -7.218 -9.896 -14.789 351 HG12 VAL 46 2HG1 VAL 46 -6.360 -9.671 -13.248 352 HG13 VAL 46 3HG1 VAL 46 -5.518 -9.373 -14.789 353 HG21 VAL 46 3HG2 VAL 46 -5.420 -13.007 -15.741 354 HG22 VAL 46 1HG2 VAL 46 -6.668 -11.846 -16.247 355 HG23 VAL 46 2HG2 VAL 46 -4.953 -11.377 -16.286 356 H VAL 47 HN VAL 47 -2.802 -12.338 -15.383 357 HA VAL 47 HA VAL 47 -1.088 -9.986 -15.108 358 HB VAL 47 HB VAL 47 -0.905 -12.269 -17.110 359 HG11 VAL 47 1HG1 VAL 47 1.451 -11.591 -17.308 360 HG12 VAL 47 2HG1 VAL 47 0.352 -10.265 -17.755 361 HG13 VAL 47 3HG1 VAL 47 1.161 -10.255 -16.170 362 HG21 VAL 47 3HG2 VAL 47 -0.841 -13.113 -14.812 363 HG22 VAL 47 1HG2 VAL 47 0.754 -13.253 -15.588 364 HG23 VAL 47 2HG2 VAL 47 0.447 -11.951 -14.415 365 H MET 48 HN MET 48 -1.765 -8.146 -15.973 366 HA MET 48 HA MET 48 -3.326 -8.177 -18.480 367 HB2 MET 48 2HB MET 48 -2.527 -5.913 -16.622 368 HB3 MET 48 3HB MET 48 -3.593 -5.762 -18.038 369 HG2 MET 48 2HG MET 48 -4.151 -7.461 -15.593 370 HG3 MET 48 3HG MET 48 -4.824 -5.850 -15.897 371 HE1 MET 48 3HE MET 48 -5.402 -5.924 -19.027 372 HE2 MET 48 1HE MET 48 -7.092 -6.473 -19.046 373 HE3 MET 48 2HE MET 48 -6.556 -5.297 -17.826 374 H GLU 49 HN GLU 49 -0.204 -7.147 -17.174 375 HA GLU 49 HA GLU 49 0.687 -6.637 -19.975 376 HB2 GLU 49 2HB GLU 49 0.634 -4.538 -18.775 377 HB3 GLU 49 3HB GLU 49 1.529 -5.250 -17.412 378 HG2 GLU 49 2HG GLU 49 2.976 -3.839 -18.750 379 HG3 GLU 49 3HG GLU 49 3.490 -5.537 -18.846 380 HE2 GLU 49 2HE GLU 49 2.237 -3.735 -22.137 381 H ALA 50 HN ALA 50 2.575 -7.592 -20.610 382 HA ALA 50 HA ALA 50 3.151 -10.055 -19.325 383 HB1 ALA 50 1HB ALA 50 4.902 -10.297 -21.038 384 HB2 ALA 50 2HB ALA 50 3.381 -9.699 -21.742 385 HB3 ALA 50 3HB ALA 50 4.732 -8.576 -21.453 386 H ILE 51 HN ILE 51 4.673 -10.739 -17.971 387 HA ILE 51 HA ILE 51 6.371 -8.637 -16.752 388 HB ILE 51 HB ILE 51 5.655 -11.415 -15.726 389 HG12 ILE 51 2HG1 ILE 51 4.625 -8.690 -14.878 390 HG13 ILE 51 3HG1 ILE 51 3.728 -9.871 -15.863 391 HG21 ILE 51 1HG2 ILE 51 6.606 -10.635 -13.592 392 HG22 ILE 51 2HG2 ILE 51 7.820 -10.609 -14.891 393 HG23 ILE 51 3HG2 ILE 51 7.056 -9.093 -14.357 394 HD11 ILE 51 3HD1 ILE 51 4.673 -10.280 -13.016 395 HD12 ILE 51 1HD1 ILE 51 3.004 -9.935 -13.515 396 HD13 ILE 51 2HD1 ILE 51 3.775 -11.460 -14.000 397 H SER 52 HN SER 52 8.480 -8.580 -17.210 398 HA SER 52 HA SER 52 9.727 -11.113 -18.162 399 HB2 SER 52 2HB SER 52 11.226 -9.618 -19.556 400 HB3 SER 52 3HB SER 52 9.527 -9.705 -20.082 401 HG SER 52 HG SER 52 10.338 -7.554 -20.044 402 HA PRO 53 HA PRO 53 12.925 -10.793 -15.158 403 HB2 PRO 53 2HB PRO 53 14.896 -10.966 -17.442 404 HB3 PRO 53 3HB PRO 53 14.703 -11.996 -15.987 405 HG2 PRO 53 2HG PRO 53 13.928 -12.804 -18.402 406 HG3 PRO 53 3HG PRO 53 13.067 -13.299 -16.908 407 HD2 PRO 53 2HD PRO 53 12.318 -11.323 -19.042 408 HD3 PRO 53 3HD PRO 53 11.274 -12.340 -18.005 409 H GLN 54 HN GLN 54 13.289 -8.820 -18.110 410 HA GLN 54 HA GLN 54 15.135 -6.994 -16.760 411 HB2 GLN 54 2HB GLN 54 15.390 -7.565 -19.156 412 HB3 GLN 54 3HB GLN 54 13.816 -6.804 -19.487 413 HG2 GLN 54 2HG GLN 54 14.715 -4.654 -18.668 414 HG3 GLN 54 3HG GLN 54 16.295 -5.430 -18.426 415 HE21 GLN 54 1HE2 GLN 54 14.144 -6.178 -21.134 416 HE22 GLN 54 2HE2 GLN 54 15.144 -5.454 -22.376 417 H ASN 55 HN ASN 55 11.714 -7.057 -17.776 418 HA ASN 55 HA ASN 55 11.365 -4.479 -16.327 419 HB2 ASN 55 2HB ASN 55 11.515 -4.053 -18.759 420 HB3 ASN 55 3HB ASN 55 10.169 -5.180 -19.029 421 HD21 ASN 55 1HD2 ASN 55 11.118 -2.037 -17.730 422 HD22 ASN 55 2HD2 ASN 55 9.503 -1.363 -17.663 423 H SER 56 HN SER 56 9.773 -4.497 -14.904 424 HA SER 56 HA SER 56 8.264 -6.891 -14.449 425 HB2 SER 56 2HB SER 56 7.764 -4.122 -13.307 426 HB3 SER 56 3HB SER 56 7.292 -5.688 -12.604 427 HG SER 56 HG SER 56 9.200 -4.825 -11.652 428 H GLY 57 HN GLY 57 5.939 -7.079 -14.350 429 HA2 GLY 57 1HA GLY 57 4.714 -5.604 -16.624 430 HA3 GLY 57 2HA GLY 57 4.268 -7.241 -16.092 431 H LEU 58 HN LEU 58 2.078 -6.315 -16.167 432 HA LEU 58 HA LEU 58 1.471 -4.853 -13.640 433 HB2 LEU 58 2HB LEU 58 0.227 -4.475 -16.380 434 HB3 LEU 58 3HB LEU 58 -0.410 -3.775 -14.872 435 HG LEU 58 HG LEU 58 2.306 -3.180 -16.062 436 HD11 LEU 58 1HD1 LEU 58 1.337 -0.997 -16.666 437 HD12 LEU 58 2HD1 LEU 58 0.485 -2.333 -17.474 438 HD13 LEU 58 3HD1 LEU 58 -0.247 -1.535 -16.060 439 HD21 LEU 58 3HD2 LEU 58 2.219 -2.934 -13.621 440 HD22 LEU 58 1HD2 LEU 58 2.353 -1.349 -14.415 441 HD23 LEU 58 2HD2 LEU 58 0.786 -1.890 -13.773 442 H VAL 59 HN VAL 59 0.044 -5.848 -12.375 443 HA VAL 59 HA VAL 59 -1.791 -7.798 -13.663 444 HB VAL 59 HB VAL 59 -1.675 -9.199 -11.640 445 HG11 VAL 59 1HG1 VAL 59 0.559 -10.152 -12.008 446 HG12 VAL 59 2HG1 VAL 59 -0.229 -9.724 -13.543 447 HG13 VAL 59 3HG1 VAL 59 1.045 -8.676 -12.873 448 HG21 VAL 59 3HG2 VAL 59 -1.058 -7.466 -10.021 449 HG22 VAL 59 1HG2 VAL 59 0.076 -8.834 -9.951 450 HG23 VAL 59 2HG2 VAL 59 0.550 -7.329 -10.771 451 H LYS 60 HN LYS 60 -3.889 -7.893 -12.850 452 HA LYS 60 HA LYS 60 -4.575 -5.614 -11.076 453 HB2 LYS 60 2HB LYS 60 -5.708 -5.807 -13.293 454 HB3 LYS 60 3HB LYS 60 -6.413 -7.348 -12.750 455 HG2 LYS 60 2HG LYS 60 -6.823 -4.849 -11.134 456 HG3 LYS 60 3HG LYS 60 -7.801 -5.144 -12.592 457 HD2 LYS 60 2HD LYS 60 -7.578 -6.971 -10.177 458 HD3 LYS 60 3HD LYS 60 -8.960 -5.926 -10.585 459 HE2 LYS 60 2HE LYS 60 -9.284 -7.188 -12.680 460 HE3 LYS 60 3HE LYS 60 -7.916 -8.239 -12.254 461 HZ1 LYS 60 3HZ LYS 60 -10.410 -7.966 -10.718 462 HZ2 LYS 60 1HZ LYS 60 -10.015 -9.237 -11.689 463 HZ3 LYS 60 2HZ LYS 60 -9.140 -8.941 -10.323 464 H VAL 61 HN VAL 61 -5.071 -5.953 -9.053 465 HA VAL 61 HA VAL 61 -5.922 -8.680 -8.236 466 HB VAL 61 HB VAL 61 -3.944 -6.933 -6.715 467 HG11 VAL 61 1HG1 VAL 61 -3.686 -8.895 -5.253 468 HG12 VAL 61 2HG1 VAL 61 -5.366 -8.314 -5.272 469 HG13 VAL 61 3HG1 VAL 61 -4.914 -9.762 -6.202 470 HG21 VAL 61 3HG2 VAL 61 -2.911 -7.868 -8.734 471 HG22 VAL 61 1HG2 VAL 61 -2.254 -8.635 -7.271 472 HG23 VAL 61 2HG2 VAL 61 -3.451 -9.498 -8.263 473 H ASP 62 HN ASP 62 -7.873 -8.524 -7.403 474 HA ASP 62 HA ASP 62 -9.529 -7.953 -5.939 475 HB2 ASP 62 2HB ASP 62 -7.759 -7.517 -4.279 476 HB3 ASP 62 3HB ASP 62 -7.621 -5.848 -4.875 477 HD2 ASP 62 2HD ASP 62 -10.222 -4.847 -2.881 478 H GLY 63 HN GLY 63 -7.889 -5.295 -7.611 479 HA2 GLY 63 1HA GLY 63 -10.149 -4.469 -9.005 480 HA3 GLY 63 2HA GLY 63 -10.135 -3.512 -7.506 481 H GLU 64 HN GLU 64 -7.139 -3.647 -7.419 482 HA GLU 64 HA GLU 64 -6.734 -1.386 -9.297 483 HB2 GLU 64 2HB GLU 64 -5.377 -2.226 -6.724 484 HB3 GLU 64 3HB GLU 64 -4.708 -0.977 -7.801 485 HG2 GLU 64 2HG GLU 64 -7.493 -0.853 -6.627 486 HG3 GLU 64 3HG GLU 64 -6.066 -0.144 -5.841 487 HE2 GLU 64 2HE GLU 64 -6.339 2.660 -7.795 488 H THR 65 HN THR 65 -4.754 -1.170 -10.442 489 HA THR 65 HA THR 65 -3.575 -3.806 -11.129 490 HB THR 65 HB THR 65 -3.354 -1.200 -12.676 491 HG1 THR 65 1HG THR 65 -5.027 -2.134 -13.976 492 HG21 THR 65 3HG2 THR 65 -2.907 -4.101 -13.468 493 HG22 THR 65 1HG2 THR 65 -2.755 -2.696 -14.548 494 HG23 THR 65 2HG2 THR 65 -1.634 -2.890 -13.180 495 H TRP 66 HN TRP 66 -1.635 -4.259 -10.380 496 HA TRP 66 HA TRP 66 0.074 -1.996 -9.453 497 HB2 TRP 66 2HB TRP 66 -0.009 -4.837 -8.379 498 HB3 TRP 66 3HB TRP 66 0.937 -3.487 -7.735 499 HD1 TRP 66 1HD TRP 66 -2.632 -4.908 -7.774 500 HE1 TRP 66 1HE TRP 66 -4.047 -3.736 -5.991 501 HE3 TRP 66 3HE TRP 66 0.693 -1.246 -6.475 502 HZ2 TRP 66 2HZ TRP 66 -3.764 -1.510 -4.256 503 HZ3 TRP 66 3HZ TRP 66 0.046 0.372 -4.736 504 HH2 TRP 66 2HH TRP 66 -2.154 0.242 -3.647 505 H ARG 67 HN ARG 67 2.425 -2.436 -9.495 506 HA ARG 67 HA ARG 67 3.167 -3.846 -11.934 507 HB2 ARG 67 2HB ARG 67 4.746 -2.333 -9.850 508 HB3 ARG 67 3HB ARG 67 5.523 -3.238 -11.171 509 HG2 ARG 67 2HG ARG 67 5.404 -0.949 -11.825 510 HG3 ARG 67 3HG ARG 67 4.207 -1.848 -12.789 511 HD2 ARG 67 2HD ARG 67 2.415 -1.090 -11.350 512 HD3 ARG 67 3HD ARG 67 3.577 -0.298 -10.264 513 HE ARG 67 HE ARG 67 3.288 0.548 -13.102 514 HH11 ARG 67 2HH1 ARG 67 3.523 1.294 -9.678 515 HH12 ARG 67 1HH1 ARG 67 3.296 3.012 -9.910 516 HH21 ARG 67 2HH2 ARG 67 2.897 2.774 -13.383 517 HH22 ARG 67 1HH2 ARG 67 2.943 3.849 -12.004 518 H ALA 68 HN ALA 68 4.102 -5.775 -12.112 519 HA ALA 68 HA ALA 68 4.551 -7.256 -9.573 520 HB1 ALA 68 1HB ALA 68 3.525 -9.241 -10.599 521 HB2 ALA 68 2HB ALA 68 2.377 -7.886 -10.515 522 HB3 ALA 68 3HB ALA 68 3.161 -8.295 -12.059 523 H THR 69 HN THR 69 6.207 -8.648 -9.492 524 HA THR 69 HA THR 69 7.773 -9.082 -11.976 525 HB THR 69 HB THR 69 9.213 -8.637 -9.369 526 HG1 THR 69 1HG THR 69 9.323 -6.390 -9.915 527 HG21 THR 69 3HG2 THR 69 9.889 -8.018 -12.268 528 HG22 THR 69 1HG2 THR 69 10.982 -7.810 -10.881 529 HG23 THR 69 2HG2 THR 69 10.442 -9.438 -11.348 530 H SER 70 HN SER 70 9.283 -10.911 -11.755 531 HA SER 70 HA SER 70 9.038 -12.729 -9.537 532 HB2 SER 70 2HB SER 70 7.945 -14.563 -10.837 533 HB3 SER 70 3HB SER 70 6.859 -13.193 -10.502 534 HG SER 70 HG SER 70 6.734 -13.915 -12.682 535 H GLY 71 HN GLY 71 9.869 -15.055 -10.517 536 HA2 GLY 71 1HA GLY 71 12.358 -14.329 -11.943 537 HA3 GLY 71 2HA GLY 71 12.047 -15.835 -11.049 538 H THR 72 HN THR 72 9.327 -15.119 -12.815 539 HA THR 72 HA THR 72 10.201 -16.989 -14.961 540 HB THR 72 HB THR 72 7.302 -16.599 -14.300 541 HG1 THR 72 1HG THR 72 7.519 -18.141 -12.591 542 HG21 THR 72 3HG2 THR 72 8.996 -19.036 -14.972 543 HG22 THR 72 1HG2 THR 72 7.224 -19.015 -14.817 544 HG23 THR 72 2HG2 THR 72 8.011 -18.099 -16.122 545 H VAL 73 HN VAL 73 8.904 -16.777 -17.005 546 HA VAL 73 HA VAL 73 8.437 -13.915 -17.608 547 HB VAL 73 HB VAL 73 8.596 -16.284 -19.510 548 HG11 VAL 73 1HG1 VAL 73 8.824 -14.572 -21.261 549 HG12 VAL 73 2HG1 VAL 73 7.288 -14.403 -20.381 550 HG13 VAL 73 3HG1 VAL 73 8.638 -13.295 -20.036 551 HG21 VAL 73 3HG2 VAL 73 10.733 -15.926 -18.366 552 HG22 VAL 73 1HG2 VAL 73 10.843 -15.462 -20.080 553 HG23 VAL 73 2HG2 VAL 73 10.700 -14.206 -18.827 554 H LEU 74 HN LEU 74 6.406 -13.359 -17.055 555 HA LEU 74 HA LEU 74 4.260 -15.366 -17.466 556 HB2 LEU 74 2HB LEU 74 4.266 -12.768 -15.904 557 HB3 LEU 74 3HB LEU 74 2.940 -13.953 -15.967 558 HG LEU 74 HG LEU 74 5.704 -14.430 -14.815 559 HD11 LEU 74 1HD1 LEU 74 4.552 -14.495 -12.643 560 HD12 LEU 74 2HD1 LEU 74 4.353 -12.917 -13.439 561 HD13 LEU 74 3HD1 LEU 74 3.017 -14.094 -13.446 562 HD21 LEU 74 3HD2 LEU 74 4.724 -16.456 -15.794 563 HD22 LEU 74 1HD2 LEU 74 4.769 -16.564 -14.019 564 HD23 LEU 74 2HD2 LEU 74 3.238 -16.200 -14.848 565 H ASP 75 HN ASP 75 2.671 -15.103 -18.929 566 HA ASP 75 HA ASP 75 2.910 -12.676 -20.631 567 HB2 ASP 75 2HB ASP 75 3.289 -14.987 -21.615 568 HB3 ASP 75 3HB ASP 75 1.563 -15.297 -21.334 569 HD2 ASP 75 2HD ASP 75 2.502 -12.668 -24.177 570 H VAL 76 HN VAL 76 0.745 -12.270 -21.847 571 HA VAL 76 HA VAL 76 -0.984 -11.317 -19.728 572 HB VAL 76 HB VAL 76 -1.287 -11.079 -22.745 573 HG11 VAL 76 1HG1 VAL 76 -2.751 -9.167 -22.237 574 HG12 VAL 76 2HG1 VAL 76 -3.380 -10.676 -21.537 575 HG13 VAL 76 3HG1 VAL 76 -2.560 -9.487 -20.498 576 HG21 VAL 76 3HG2 VAL 76 0.831 -10.128 -21.964 577 HG22 VAL 76 1HG2 VAL 76 -0.287 -8.847 -22.486 578 HG23 VAL 76 2HG2 VAL 76 -0.042 -9.161 -20.752 579 H GLY 77 HN GLY 77 -2.688 -12.317 -18.913 580 HA2 GLY 77 1HA GLY 77 -4.915 -13.222 -19.563 581 HA3 GLY 77 2HA GLY 77 -4.040 -14.322 -20.654 582 H GLU 78 HN GLU 78 -1.883 -14.512 -18.452 583 HA GLU 78 HA GLU 78 -3.056 -16.867 -17.232 584 HB2 GLU 78 2HB GLU 78 -0.384 -15.488 -17.131 585 HB3 GLU 78 3HB GLU 78 -0.774 -16.828 -16.027 586 HG2 GLU 78 2HG GLU 78 -0.767 -16.915 -19.046 587 HG3 GLU 78 3HG GLU 78 0.440 -17.633 -17.959 588 HE2 GLU 78 2HE GLU 78 -1.745 -20.271 -17.129 589 H GLU 79 HN GLU 79 -2.758 -17.280 -14.899 590 HA GLU 79 HA GLU 79 -3.658 -14.899 -13.347 591 HB2 GLU 79 2HB GLU 79 -4.359 -17.828 -12.968 592 HB3 GLU 79 3HB GLU 79 -4.948 -16.471 -11.979 593 HG2 GLU 79 2HG GLU 79 -6.091 -15.530 -13.910 594 HG3 GLU 79 3HG GLU 79 -5.458 -16.830 -14.942 595 HE2 GLU 79 2HE GLU 79 -8.478 -17.661 -12.501 596 H VAL 80 HN VAL 80 -2.596 -14.390 -11.517 597 HA VAL 80 HA VAL 80 -0.521 -16.329 -10.624 598 HB VAL 80 HB VAL 80 0.939 -14.373 -10.092 599 HG11 VAL 80 1HG1 VAL 80 1.661 -13.942 -12.404 600 HG12 VAL 80 2HG1 VAL 80 1.268 -15.658 -12.153 601 HG13 VAL 80 3HG1 VAL 80 0.121 -14.596 -13.005 602 HG21 VAL 80 3HG2 VAL 80 -0.803 -12.651 -9.947 603 HG22 VAL 80 1HG2 VAL 80 0.453 -12.187 -11.116 604 HG23 VAL 80 2HG2 VAL 80 -1.111 -12.806 -11.693 605 H SER 81 HN SER 81 0.136 -16.132 -8.400 606 HA SER 81 HA SER 81 -1.840 -14.645 -6.734 607 HB2 SER 81 2HB SER 81 -0.473 -17.292 -6.134 608 HB3 SER 81 3HB SER 81 -1.502 -16.384 -5.000 609 HG SER 81 HG SER 81 -2.657 -18.012 -6.144 610 H VAL 82 HN VAL 82 -1.071 -13.410 -5.092 611 HA VAL 82 HA VAL 82 1.623 -12.470 -5.458 612 HB VAL 82 HB VAL 82 -0.322 -11.783 -3.223 613 HG11 VAL 82 1HG1 VAL 82 0.964 -9.687 -3.096 614 HG12 VAL 82 2HG1 VAL 82 1.998 -11.103 -2.797 615 HG13 VAL 82 3HG1 VAL 82 2.051 -10.278 -4.373 616 HG21 VAL 82 3HG2 VAL 82 -1.345 -11.432 -5.425 617 HG22 VAL 82 1HG2 VAL 82 -0.991 -9.880 -4.631 618 HG23 VAL 82 2HG2 VAL 82 0.066 -10.474 -5.934 619 H LYS 83 HN LYS 83 3.408 -13.166 -4.588 620 HA LYS 83 HA LYS 83 3.271 -15.104 -2.360 621 HB2 LYS 83 2HB LYS 83 4.536 -15.465 -4.570 622 HB3 LYS 83 3HB LYS 83 5.713 -14.288 -3.937 623 HG2 LYS 83 2HG LYS 83 5.855 -15.803 -1.877 624 HG3 LYS 83 3HG LYS 83 5.012 -17.018 -2.867 625 HD2 LYS 83 2HD LYS 83 6.777 -16.700 -4.614 626 HD3 LYS 83 3HD LYS 83 7.654 -15.670 -3.457 627 HE2 LYS 83 2HE LYS 83 8.636 -17.808 -3.266 628 HE3 LYS 83 3HE LYS 83 7.571 -17.647 -1.853 629 HZ1 LYS 83 3HZ LYS 83 6.917 -19.088 -4.337 630 HZ2 LYS 83 1HZ LYS 83 7.338 -19.786 -2.904 631 HZ3 LYS 83 2HZ LYS 83 5.928 -18.939 -3.025 632 H ALA 84 HN ALA 84 4.835 -12.027 -3.317 633 HA ALA 84 HA ALA 84 5.041 -11.241 -0.519 634 HB1 ALA 84 1HB ALA 84 7.485 -10.914 -0.541 635 HB2 ALA 84 2HB ALA 84 7.058 -12.628 -0.751 636 HB3 ALA 84 3HB ALA 84 7.568 -11.658 -2.154 637 H ILE 85 HN ILE 85 6.542 -9.095 -0.523 638 HA ILE 85 HA ILE 85 5.703 -7.475 -2.880 639 HB ILE 85 HB ILE 85 5.663 -6.543 0.022 640 HG12 ILE 85 2HG1 ILE 85 3.365 -7.261 -1.824 641 HG13 ILE 85 3HG1 ILE 85 3.892 -8.182 -0.396 642 HG21 ILE 85 1HG2 ILE 85 4.539 -4.550 -0.890 643 HG22 ILE 85 2HG2 ILE 85 6.151 -4.770 -1.608 644 HG23 ILE 85 3HG2 ILE 85 4.696 -5.213 -2.533 645 HD11 ILE 85 3HD1 ILE 85 2.768 -5.370 -0.383 646 HD12 ILE 85 1HD1 ILE 85 1.893 -6.836 0.101 647 HD13 ILE 85 2HD1 ILE 85 3.295 -6.292 1.045 648 H GLU 86 HN GLU 86 7.283 -6.182 -3.711 649 HA GLU 86 HA GLU 86 9.757 -5.858 -2.079 650 HB2 GLU 86 2HB GLU 86 9.774 -7.637 -3.994 651 HB3 GLU 86 3HB GLU 86 9.839 -6.219 -5.069 652 HG2 GLU 86 2HG GLU 86 11.830 -6.792 -2.861 653 HG3 GLU 86 3HG GLU 86 12.055 -7.244 -4.566 654 HE2 GLU 86 2HE GLU 86 12.802 -3.550 -3.478 655 H GLY 87 HN GLY 87 9.333 -3.752 -1.506 656 HA2 GLY 87 1HA GLY 87 9.505 -1.476 -1.818 657 HA3 GLY 87 2HA GLY 87 9.885 -1.769 -3.530 658 H VAL 88 HN VAL 88 8.442 -1.244 -4.997 659 HA VAL 88 HA VAL 88 5.639 -0.797 -4.094 660 HB VAL 88 HB VAL 88 6.844 0.379 -6.609 661 HG11 VAL 88 1HG1 VAL 88 5.052 2.047 -6.331 662 HG12 VAL 88 2HG1 VAL 88 4.399 0.394 -6.393 663 HG13 VAL 88 3HG1 VAL 88 4.536 1.240 -4.832 664 HG21 VAL 88 3HG2 VAL 88 8.281 1.091 -4.758 665 HG22 VAL 88 1HG2 VAL 88 7.320 2.453 -5.376 666 HG23 VAL 88 2HG2 VAL 88 6.854 1.654 -3.856 667 H LYS 89 HN LYS 89 7.523 -3.038 -5.459 668 HA LYS 89 HA LYS 89 5.572 -3.766 -7.585 669 HB2 LYS 89 2HB LYS 89 8.328 -4.907 -7.023 670 HB3 LYS 89 3HB LYS 89 7.282 -5.285 -8.412 671 HG2 LYS 89 2HG LYS 89 7.509 -3.004 -9.231 672 HG3 LYS 89 3HG LYS 89 8.503 -2.579 -7.817 673 HD2 LYS 89 2HD LYS 89 9.177 -4.583 -9.995 674 HD3 LYS 89 3HD LYS 89 9.953 -3.007 -9.707 675 HE2 LYS 89 2HE LYS 89 9.968 -5.360 -7.786 676 HE3 LYS 89 3HE LYS 89 11.308 -4.895 -8.857 677 HZ1 LYS 89 3HZ LYS 89 10.184 -3.233 -6.700 678 HZ2 LYS 89 1HZ LYS 89 11.613 -4.052 -6.635 679 HZ3 LYS 89 2HZ LYS 89 11.427 -2.803 -7.694 680 H LEU 90 HN LEU 90 4.738 -5.900 -7.662 681 HA LEU 90 HA LEU 90 4.789 -7.264 -5.023 682 HB2 LEU 90 2HB LEU 90 2.917 -7.672 -7.371 683 HB3 LEU 90 3HB LEU 90 2.790 -8.427 -5.764 684 HG LEU 90 HG LEU 90 2.469 -5.481 -6.389 685 HD11 LEU 90 1HD1 LEU 90 0.106 -5.868 -5.802 686 HD12 LEU 90 2HD1 LEU 90 0.603 -6.865 -7.190 687 HD13 LEU 90 3HD1 LEU 90 0.448 -7.599 -5.576 688 HD21 LEU 90 3HD2 LEU 90 3.447 -5.858 -4.167 689 HD22 LEU 90 1HD2 LEU 90 1.772 -5.274 -4.034 690 HD23 LEU 90 2HD2 LEU 90 2.136 -6.997 -3.777 691 H VAL 91 HN VAL 91 5.357 -9.395 -4.846 692 HA VAL 91 HA VAL 91 6.728 -10.550 -7.210 693 HB VAL 91 HB VAL 91 6.856 -11.403 -4.291 694 HG11 VAL 91 1HG1 VAL 91 8.783 -12.749 -5.009 695 HG12 VAL 91 2HG1 VAL 91 7.300 -13.222 -5.871 696 HG13 VAL 91 3HG1 VAL 91 8.525 -12.221 -6.687 697 HG21 VAL 91 3HG2 VAL 91 7.832 -9.177 -4.620 698 HG22 VAL 91 1HG2 VAL 91 9.096 -10.383 -4.278 699 HG23 VAL 91 2HG2 VAL 91 8.843 -9.809 -5.943 700 H VAL 92 HN VAL 92 5.502 -11.890 -8.379 701 HA VAL 92 HA VAL 92 3.433 -13.450 -6.916 702 HB VAL 92 HB VAL 92 2.016 -13.290 -8.955 703 HG11 VAL 92 1HG1 VAL 92 1.292 -10.962 -8.628 704 HG12 VAL 92 2HG1 VAL 92 1.658 -11.756 -7.078 705 HG13 VAL 92 3HG1 VAL 92 2.818 -10.606 -7.786 706 HG21 VAL 92 3HG2 VAL 92 3.783 -12.896 -10.608 707 HG22 VAL 92 1HG2 VAL 92 2.536 -11.630 -10.697 708 HG23 VAL 92 2HG2 VAL 92 4.092 -11.290 -9.905 709 H GLU 93 HN GLU 93 2.817 -15.481 -7.855 710 HA GLU 93 HA GLU 93 4.813 -16.552 -9.798 711 HB2 GLU 93 2HB GLU 93 3.428 -18.174 -7.647 712 HB3 GLU 93 3HB GLU 93 4.733 -18.694 -8.742 713 HG2 GLU 93 2HG GLU 93 6.271 -17.141 -7.624 714 HG3 GLU 93 3HG GLU 93 4.968 -16.657 -6.517 715 HE2 GLU 93 2HE GLU 93 7.062 -19.672 -5.440 716 H LYS 94 HN LYS 94 3.945 -18.152 -11.267 717 HA LYS 94 HA LYS 94 1.207 -17.496 -11.988 718 HB2 LYS 94 2HB LYS 94 3.127 -17.989 -13.605 719 HB3 LYS 94 3HB LYS 94 2.892 -19.702 -13.187 720 HG2 LYS 94 2HG LYS 94 0.474 -19.419 -13.876 721 HG3 LYS 94 3HG LYS 94 0.930 -17.825 -14.522 722 HD2 LYS 94 2HD LYS 94 1.186 -19.076 -16.418 723 HD3 LYS 94 3HD LYS 94 2.816 -19.266 -15.728 724 HE2 LYS 94 2HE LYS 94 1.992 -21.429 -16.460 725 HE3 LYS 94 3HE LYS 94 2.091 -21.403 -14.686 726 HZ1 LYS 94 3HZ LYS 94 -0.361 -21.006 -16.271 727 HZ2 LYS 94 1HZ LYS 94 0.039 -22.377 -15.448 728 HZ3 LYS 94 2HZ LYS 94 -0.269 -20.982 -14.625 729 H LEU 95 HN LEU 95 -0.595 -18.590 -11.517 730 HA LEU 95 HA LEU 95 -0.537 -20.825 -9.718 731 HB2 LEU 95 2HB LEU 95 -2.423 -19.012 -10.636 732 HB3 LEU 95 3HB LEU 95 -2.954 -20.561 -11.335 733 HG LEU 95 HG LEU 95 -3.977 -19.923 -9.123 734 HD11 LEU 95 1HD1 LEU 95 -3.841 -22.198 -8.200 735 HD12 LEU 95 2HD1 LEU 95 -4.012 -22.220 -9.969 736 HD13 LEU 95 3HD1 LEU 95 -2.425 -22.525 -9.224 737 HD21 LEU 95 3HD2 LEU 95 -1.966 -18.999 -8.067 738 HD22 LEU 95 1HD2 LEU 95 -2.647 -20.321 -7.091 739 HD23 LEU 95 2HD2 LEU 95 -1.206 -20.609 -8.094 740 H GLU 96 HN GLU 96 -0.970 -22.999 -10.120 741 HA GLU 96 HA GLU 96 -0.055 -23.755 -12.822 742 HB2 GLU 96 2HB GLU 96 0.351 -26.010 -11.658 743 HB3 GLU 96 3HB GLU 96 1.423 -24.642 -11.275 744 HG2 GLU 96 2HG GLU 96 1.011 -25.614 -9.206 745 HG3 GLU 96 3HG GLU 96 -0.126 -24.249 -9.259 746 HE2 GLU 96 2HE GLU 96 -2.830 -26.356 -9.005 747 H GLU 97 HN GLU 97 -0.809 -26.083 -13.424 748 HA GLU 97 HA GLU 97 -3.718 -25.745 -13.763 749 HB2 GLU 97 2HB GLU 97 -1.695 -27.485 -15.212 750 HB3 GLU 97 3HB GLU 97 -3.421 -27.349 -15.624 751 HG2 GLU 97 2HG GLU 97 -2.292 -25.973 -17.165 752 HG3 GLU 97 3HG GLU 97 -3.001 -24.865 -15.970 753 HE2 GLU 97 2HE GLU 97 0.963 -25.263 -15.983 754 H GLN 98 HN GLN 98 -2.340 -26.924 -11.335 755 HA GLN 98 HA GLN 98 -2.726 -28.594 -9.836 756 HB2 GLN 98 2HB GLN 98 -4.700 -29.655 -11.874 757 HB3 GLN 98 3HB GLN 98 -4.429 -30.360 -10.262 758 HG2 GLN 98 2HG GLN 98 -5.152 -28.297 -9.207 759 HG3 GLN 98 3HG GLN 98 -5.343 -27.524 -10.796 760 HE21 GLN 98 1HE2 GLN 98 -6.456 -29.967 -12.041 761 HE22 GLN 98 2HE2 GLN 98 -8.099 -30.092 -11.448 762 H LYS 99 HN LYS 99 -0.501 -28.807 -10.542 763 HA LYS 99 HA LYS 99 1.334 -30.037 -10.984 764 HB2 LYS 99 2HB LYS 99 0.246 -31.659 -9.479 765 HB3 LYS 99 3HB LYS 99 -0.519 -32.431 -10.888 766 HG2 LYS 99 2HG LYS 99 1.653 -33.048 -11.777 767 HG3 LYS 99 3HG LYS 99 2.471 -32.183 -10.453 768 HD2 LYS 99 2HD LYS 99 1.420 -33.717 -8.827 769 HD3 LYS 99 3HD LYS 99 0.659 -34.600 -10.173 770 HE2 LYS 99 2HE LYS 99 2.836 -35.197 -11.067 771 HE3 LYS 99 3HE LYS 99 3.649 -34.216 -9.828 772 HZ1 LYS 99 3HZ LYS 99 2.005 -36.602 -9.318 773 HZ2 LYS 99 1HZ LYS 99 3.650 -36.541 -9.265 774 HZ3 LYS 99 2HZ LYS 99 2.760 -35.692 -8.169 775 H GLY 100 HN GLY 100 -0.921 -32.200 -12.736 776 HA2 GLY 100 1HA GLY 100 0.117 -31.197 -15.295 777 HA3 GLY 100 2HA GLY 100 0.550 -32.866 -14.864 778 H SER 101 HN SER 101 -2.456 -31.068 -14.223 779 HA SER 101 HA SER 101 -3.999 -33.297 -15.302 780 HB2 SER 101 2HB SER 101 -4.912 -30.603 -14.233 781 HB3 SER 101 3HB SER 101 -5.937 -32.028 -14.536 782 HG SER 101 HG SER 101 -5.306 -31.838 -12.328 Start of MODEL 12 1 H1 MET 1 HN MET 1 16.685 -32.465 -9.821 2 HA MET 1 HA MET 1 18.776 -34.002 -8.660 3 HB2 MET 1 2HB MET 1 19.157 -34.812 -10.958 4 HB3 MET 1 3HB MET 1 19.360 -33.132 -11.510 5 HG2 MET 1 2HG MET 1 21.516 -34.263 -11.219 6 HG3 MET 1 3HG MET 1 21.342 -32.885 -10.118 7 HE1 MET 1 3HE MET 1 23.366 -33.781 -8.664 8 HE2 MET 1 1HE MET 1 23.467 -35.433 -8.012 9 HE3 MET 1 2HE MET 1 23.544 -35.165 -9.769 10 H GLY 2 HN GLY 2 18.214 -31.121 -10.745 11 HA2 GLY 2 1HA GLY 2 19.934 -29.510 -9.004 12 HA3 GLY 2 2HA GLY 2 19.037 -28.958 -10.437 13 H SER 3 HN SER 3 18.587 -30.101 -7.091 14 HA SER 3 HA SER 3 15.904 -28.964 -6.976 15 HB2 SER 3 2HB SER 3 16.153 -29.758 -4.531 16 HB3 SER 3 3HB SER 3 16.146 -30.993 -5.813 17 HG SER 3 HG SER 3 17.842 -31.303 -4.288 18 H SER 4 HN SER 4 15.653 -27.997 -4.475 19 HA SER 4 HA SER 4 16.581 -25.313 -4.736 20 HB2 SER 4 2HB SER 4 15.461 -26.719 -2.284 21 HB3 SER 4 3HB SER 4 15.512 -24.963 -2.577 22 HG SER 4 HG SER 4 13.465 -25.889 -3.076 23 H HIS 5 HN HIS 5 18.892 -25.678 -4.975 24 HA HIS 5 HA HIS 5 20.179 -25.652 -2.290 25 HB2 HIS 5 2HB HIS 5 21.098 -27.026 -4.822 26 HB3 HIS 5 3HB HIS 5 22.244 -26.542 -3.557 27 HD1 HIS 5 1HD HIS 5 19.855 -29.191 -4.491 28 HD2 HIS 5 2HD HIS 5 21.795 -27.889 -1.027 29 HE1 HIS 5 1HE HIS 5 19.681 -31.092 -2.824 30 HE2 HIS 5 2HE HIS 5 20.862 -30.299 -0.722 31 H HIS 6 HN HIS 6 19.294 -23.894 -4.912 32 HA HIS 6 HA HIS 6 21.544 -21.991 -4.480 33 HB2 HIS 6 2HB HIS 6 20.232 -22.434 -7.179 34 HB3 HIS 6 3HB HIS 6 21.646 -21.431 -6.804 35 HD1 HIS 6 1HD HIS 6 20.745 -24.611 -8.175 36 HD2 HIS 6 2HD HIS 6 23.913 -23.188 -5.855 37 HE1 HIS 6 1HE HIS 6 22.620 -26.292 -8.438 38 HE2 HIS 6 2HE HIS 6 24.545 -25.426 -7.027 39 H HIS 7 HN HIS 7 18.639 -22.050 -6.554 40 HA HIS 7 HA HIS 7 17.569 -19.768 -4.966 41 HB2 HIS 7 2HB HIS 7 16.283 -19.142 -6.920 42 HB3 HIS 7 3HB HIS 7 18.000 -19.264 -7.347 43 HD1 HIS 7 1HD HIS 7 18.659 -20.928 -9.161 44 HD2 HIS 7 2HD HIS 7 14.638 -21.197 -8.055 45 HE1 HIS 7 1HE HIS 7 17.550 -22.423 -10.879 46 HE2 HIS 7 2HE HIS 7 15.108 -22.582 -10.206 47 H HIS 8 HN HIS 8 15.211 -19.737 -4.662 48 HA HIS 8 HA HIS 8 13.274 -20.692 -3.907 49 HB2 HIS 8 2HB HIS 8 13.161 -21.820 -6.106 50 HB3 HIS 8 3HB HIS 8 14.136 -23.156 -5.464 51 HD1 HIS 8 1HD HIS 8 12.961 -24.921 -4.046 52 HD2 HIS 8 2HD HIS 8 10.482 -21.735 -5.129 53 HE1 HIS 8 1HE HIS 8 10.600 -25.630 -3.453 54 HE2 HIS 8 2HE HIS 8 9.098 -23.690 -4.113 55 H HIS 9 HN HIS 9 12.843 -21.413 -1.882 56 HA HIS 9 HA HIS 9 14.955 -23.060 -0.621 57 HB2 HIS 9 2HB HIS 9 14.085 -22.384 1.504 58 HB3 HIS 9 3HB HIS 9 14.272 -20.942 0.489 59 HD1 HIS 9 1HD HIS 9 11.970 -22.476 2.769 60 HD2 HIS 9 2HD HIS 9 11.594 -20.210 -0.721 61 HE1 HIS 9 1HE HIS 9 9.615 -21.537 2.783 62 HE2 HIS 9 2HE HIS 9 9.395 -20.159 0.664 63 H HIS 10 HN HIS 10 14.652 -25.083 0.119 64 HA HIS 10 HA HIS 10 12.506 -26.594 -0.997 65 HB2 HIS 10 2HB HIS 10 13.413 -28.466 0.411 66 HB3 HIS 10 3HB HIS 10 14.583 -27.694 -0.676 67 HD1 HIS 10 1HD HIS 10 13.987 -28.551 2.859 68 HD2 HIS 10 2HD HIS 10 16.492 -25.998 0.704 69 HE1 HIS 10 1HE HIS 10 15.851 -27.891 4.441 70 HE2 HIS 10 2HE HIS 10 17.374 -26.344 3.125 71 H SER 11 HN SER 11 10.748 -27.597 -0.107 72 HA SER 11 HA SER 11 9.247 -26.023 1.675 73 HB2 SER 11 2HB SER 11 8.833 -28.957 1.003 74 HB3 SER 11 3HB SER 11 7.599 -27.801 1.561 75 HG SER 11 HG SER 11 7.579 -28.092 -0.723 76 H SER 12 HN SER 12 9.281 -25.785 3.784 77 HA SER 12 HA SER 12 10.535 -27.931 5.424 78 HB2 SER 12 2HB SER 12 10.042 -25.030 6.180 79 HB3 SER 12 3HB SER 12 11.091 -26.211 7.002 80 HG SER 12 HG SER 12 12.268 -24.766 5.649 81 H GLY 13 HN GLY 13 9.528 -28.572 7.393 82 HA2 GLY 13 1HA GLY 13 6.601 -28.375 7.219 83 HA3 GLY 13 2HA GLY 13 7.543 -29.452 8.275 84 H ARG 14 HN ARG 14 7.276 -25.896 7.794 85 HA ARG 14 HA ARG 14 6.722 -25.682 10.707 86 HB2 ARG 14 2HB ARG 14 8.701 -24.071 9.074 87 HB3 ARG 14 3HB ARG 14 8.115 -23.579 10.682 88 HG2 ARG 14 2HG ARG 14 9.659 -26.098 10.010 89 HG3 ARG 14 3HG ARG 14 10.276 -24.667 10.870 90 HD2 ARG 14 2HD ARG 14 8.667 -25.042 12.677 91 HD3 ARG 14 3HD ARG 14 8.006 -26.447 11.812 92 HE ARG 14 HE ARG 14 10.872 -26.473 12.504 93 HH11 ARG 14 2HH1 ARG 14 7.597 -27.632 13.085 94 HH12 ARG 14 1HH1 ARG 14 8.117 -28.978 14.071 95 HH21 ARG 14 2HH2 ARG 14 11.540 -28.198 13.808 96 HH22 ARG 14 1HH2 ARG 14 10.358 -29.300 14.481 97 H GLU 15 HN GLU 15 5.501 -23.878 11.355 98 HA GLU 15 HA GLU 15 3.514 -23.154 9.370 99 HB2 GLU 15 2HB GLU 15 3.877 -22.432 12.291 100 HB3 GLU 15 3HB GLU 15 2.521 -21.853 11.295 101 HG2 GLU 15 2HG GLU 15 1.718 -23.696 12.542 102 HG3 GLU 15 3HG GLU 15 1.932 -24.262 10.871 103 HE2 GLU 15 2HE GLU 15 4.180 -26.669 11.855 104 H ASN 16 HN ASN 16 5.679 -21.236 11.520 105 HA ASN 16 HA ASN 16 5.385 -18.998 9.579 106 HB2 ASN 16 2HB ASN 16 4.711 -18.659 12.004 107 HB3 ASN 16 3HB ASN 16 6.425 -18.856 12.425 108 HD21 ASN 16 1HD2 ASN 16 6.687 -16.766 13.220 109 HD22 ASN 16 2HD2 ASN 16 6.669 -15.356 12.182 110 H LEU 17 HN LEU 17 7.238 -17.793 8.958 111 HA LEU 17 HA LEU 17 9.587 -19.501 8.668 112 HB2 LEU 17 2HB LEU 17 8.985 -16.702 7.676 113 HB3 LEU 17 3HB LEU 17 10.436 -17.647 7.265 114 HG LEU 17 HG LEU 17 7.578 -18.369 6.568 115 HD11 LEU 17 1HD1 LEU 17 8.264 -17.886 4.256 116 HD12 LEU 17 2HD1 LEU 17 8.423 -16.451 5.296 117 HD13 LEU 17 3HD1 LEU 17 9.868 -17.384 4.838 118 HD21 LEU 17 3HD2 LEU 17 8.980 -20.343 6.949 119 HD22 LEU 17 1HD2 LEU 17 8.588 -20.164 5.223 120 HD23 LEU 17 2HD2 LEU 17 10.199 -19.702 5.820 121 H TYR 18 HN TYR 18 10.832 -19.669 10.406 122 HA TYR 18 HA TYR 18 11.354 -17.350 12.118 123 HB2 TYR 18 2HB TYR 18 12.777 -18.988 13.380 124 HB3 TYR 18 3HB TYR 18 11.072 -19.448 13.234 125 HD1 TYR 18 2HD TYR 18 10.411 -21.316 11.758 126 HD2 TYR 18 1HD TYR 18 14.515 -20.309 12.302 127 HE1 TYR 18 2HE TYR 18 11.066 -23.483 10.815 128 HE2 TYR 18 1HE TYR 18 15.172 -22.477 11.354 129 HH TYR 18 HH TYR 18 12.773 -24.859 10.230 130 H PHE 19 HN PHE 19 12.396 -18.068 9.166 131 HA PHE 19 HA PHE 19 15.065 -16.875 9.668 132 HB2 PHE 19 2HB PHE 19 15.321 -19.346 9.423 133 HB3 PHE 19 3HB PHE 19 14.552 -19.242 7.830 134 HD1 PHE 19 2HD PHE 19 17.549 -18.358 9.789 135 HD2 PHE 19 1HD PHE 19 15.772 -18.458 5.919 136 HE1 PHE 19 2HE PHE 19 19.740 -17.912 8.773 137 HE2 PHE 19 1HE PHE 19 17.961 -18.010 4.899 138 HZ PHE 19 HZ PHE 19 19.952 -17.744 6.325 139 H GLN 20 HN GLN 20 15.146 -15.034 8.544 140 HA GLN 20 HA GLN 20 13.380 -14.772 6.180 141 HB2 GLN 20 2HB GLN 20 13.288 -13.085 8.041 142 HB3 GLN 20 3HB GLN 20 14.955 -12.620 7.625 143 HG2 GLN 20 2HG GLN 20 14.150 -12.083 5.318 144 HG3 GLN 20 3HG GLN 20 12.492 -12.381 5.883 145 HE21 GLN 20 1HE2 GLN 20 15.264 -10.249 5.987 146 HE22 GLN 20 2HE2 GLN 20 14.460 -8.905 6.769 147 H GLY 21 HN GLY 21 14.475 -15.741 4.510 148 HA2 GLY 21 1HA GLY 21 17.260 -14.868 4.027 149 HA3 GLY 21 2HA GLY 21 16.400 -16.185 3.198 150 H HIS 22 HN HIS 22 16.288 -12.623 3.643 151 HA HIS 22 HA HIS 22 15.391 -12.449 0.804 152 HB2 HIS 22 2HB HIS 22 14.846 -10.647 3.180 153 HB3 HIS 22 3HB HIS 22 14.580 -10.129 1.505 154 HD1 HIS 22 1HD HIS 22 12.146 -10.165 1.088 155 HD2 HIS 22 2HD HIS 22 13.385 -13.470 3.325 156 HE1 HIS 22 1HE HIS 22 10.085 -11.599 1.434 157 HE2 HIS 22 2HE HIS 22 10.845 -13.602 2.789 158 H MET 23 HN MET 23 17.088 -12.002 -0.468 159 HA MET 23 HA MET 23 19.446 -10.719 0.543 160 HB2 MET 23 2HB MET 23 20.076 -10.603 -1.920 161 HB3 MET 23 3HB MET 23 19.808 -12.215 -1.215 162 HG2 MET 23 2HG MET 23 18.782 -12.371 -3.281 163 HG3 MET 23 3HG MET 23 17.430 -12.016 -2.193 164 HE1 MET 23 3HE MET 23 15.966 -11.398 -4.347 165 HE2 MET 23 1HE MET 23 16.457 -10.194 -5.560 166 HE3 MET 23 2HE MET 23 17.366 -11.715 -5.401 167 H ALA 24 HN ALA 24 16.700 -9.583 -1.442 168 HA ALA 24 HA ALA 24 16.002 -7.479 -1.996 169 HB1 ALA 24 1HB ALA 24 16.079 -5.810 -0.185 170 HB2 ALA 24 2HB ALA 24 15.634 -7.419 0.432 171 HB3 ALA 24 3HB ALA 24 17.285 -6.798 0.673 172 H ALA 25 HN ALA 25 18.572 -8.227 -3.078 173 HA ALA 25 HA ALA 25 20.268 -5.858 -2.820 174 HB1 ALA 25 1HB ALA 25 21.786 -7.067 -4.334 175 HB2 ALA 25 2HB ALA 25 21.282 -8.088 -2.968 176 HB3 ALA 25 3HB ALA 25 20.547 -8.321 -4.572 177 H ARG 26 HN ARG 26 18.951 -4.214 -3.627 178 HA ARG 26 HA ARG 26 19.236 -3.799 -6.463 179 HB2 ARG 26 2HB ARG 26 17.172 -5.321 -6.230 180 HB3 ARG 26 3HB ARG 26 16.379 -3.917 -5.476 181 HG2 ARG 26 2HG ARG 26 16.797 -2.602 -7.512 182 HG3 ARG 26 3HG ARG 26 17.554 -4.026 -8.266 183 HD2 ARG 26 2HD ARG 26 14.669 -3.685 -7.414 184 HD3 ARG 26 3HD ARG 26 15.301 -3.891 -9.061 185 HE ARG 26 HE ARG 26 14.697 -5.959 -7.142 186 HH11 ARG 26 2HH1 ARG 26 16.841 -5.147 -9.826 187 HH12 ARG 26 1HH1 ARG 26 17.081 -6.815 -10.295 188 HH21 ARG 26 2HH2 ARG 26 14.999 -8.110 -7.785 189 HH22 ARG 26 1HH2 ARG 26 16.040 -8.488 -9.140 190 H ILE 27 HN ILE 27 18.589 -1.617 -7.077 191 HA ILE 27 HA ILE 27 18.792 0.215 -4.834 192 HB ILE 27 HB ILE 27 18.537 1.990 -6.654 193 HG12 ILE 27 2HG1 ILE 27 19.183 1.042 -8.971 194 HG13 ILE 27 3HG1 ILE 27 18.527 -0.496 -8.361 195 HG21 ILE 27 1HG2 ILE 27 20.841 1.661 -7.453 196 HG22 ILE 27 2HG2 ILE 27 20.694 1.290 -5.719 197 HG23 ILE 27 3HG2 ILE 27 20.787 -0.032 -6.909 198 HD11 ILE 27 3HD1 ILE 27 17.013 2.114 -8.599 199 HD12 ILE 27 1HD1 ILE 27 16.853 0.722 -9.689 200 HD13 ILE 27 2HD1 ILE 27 16.357 0.575 -7.991 201 H THR 28 HN THR 28 17.302 2.128 -4.687 202 HA THR 28 HA THR 28 14.605 1.092 -4.383 203 HB THR 28 HB THR 28 15.621 3.928 -3.952 204 HG1 THR 28 1HG THR 28 15.870 3.215 -1.766 205 HG21 THR 28 3HG2 THR 28 13.242 2.432 -2.796 206 HG22 THR 28 1HG2 THR 28 13.726 4.092 -2.380 207 HG23 THR 28 2HG2 THR 28 13.171 3.715 -4.027 208 H GLY 29 HN GLY 29 12.895 1.369 -5.697 209 HA2 GLY 29 1HA GLY 29 13.316 2.632 -8.274 210 HA3 GLY 29 2HA GLY 29 11.827 1.858 -7.687 211 H GLU 30 HN GLU 30 10.568 3.541 -8.585 212 HA GLU 30 HA GLU 30 10.875 6.181 -7.232 213 HB2 GLU 30 2HB GLU 30 9.522 5.474 -9.858 214 HB3 GLU 30 3HB GLU 30 9.603 7.099 -9.138 215 HG2 GLU 30 2HG GLU 30 12.029 5.473 -9.926 216 HG3 GLU 30 3HG GLU 30 11.242 6.663 -10.986 217 HE2 GLU 30 2HE GLU 30 13.471 7.982 -7.988 218 HA PRO 31 HA PRO 31 6.897 4.594 -5.665 219 HB2 PRO 31 2HB PRO 31 7.470 4.896 -2.973 220 HB3 PRO 31 3HB PRO 31 7.988 3.490 -3.959 221 HG2 PRO 31 2HG PRO 31 9.593 5.645 -2.855 222 HG3 PRO 31 3HG PRO 31 10.119 4.053 -3.491 223 HD2 PRO 31 2HD PRO 31 10.124 6.697 -4.771 224 HD3 PRO 31 3HD PRO 31 10.839 5.162 -5.349 225 H SER 32 HN SER 32 6.550 6.864 -6.791 226 HA SER 32 HA SER 32 6.097 9.003 -4.827 227 HB2 SER 32 2HB SER 32 5.534 8.856 -7.812 228 HB3 SER 32 3HB SER 32 5.381 10.308 -6.794 229 HG SER 32 HG SER 32 7.399 10.203 -7.895 230 H LYS 33 HN LYS 33 4.405 6.433 -6.420 231 HA LYS 33 HA LYS 33 1.853 7.404 -5.217 232 HB2 LYS 33 2HB LYS 33 1.882 7.160 -7.705 233 HB3 LYS 33 3HB LYS 33 2.239 5.429 -7.486 234 HG2 LYS 33 2HG LYS 33 0.101 5.080 -6.411 235 HG3 LYS 33 3HG LYS 33 -0.250 6.824 -6.466 236 HD2 LYS 33 2HD LYS 33 -0.148 6.756 -8.930 237 HD3 LYS 33 3HD LYS 33 0.167 5.005 -8.859 238 HE2 LYS 33 2HE LYS 33 -2.001 4.608 -7.862 239 HE3 LYS 33 3HE LYS 33 -2.310 6.354 -7.749 240 HZ1 LYS 33 3HZ LYS 33 -1.958 4.835 -10.249 241 HZ2 LYS 33 1HZ LYS 33 -3.394 5.380 -9.650 242 HZ3 LYS 33 2HZ LYS 33 -2.246 6.456 -10.144 243 H LYS 34 HN LYS 34 2.439 6.565 -3.169 244 HA LYS 34 HA LYS 34 2.984 3.658 -3.038 245 HB2 LYS 34 2HB LYS 34 4.548 5.166 -1.899 246 HB3 LYS 34 3HB LYS 34 3.209 5.847 -0.944 247 HG2 LYS 34 2HG LYS 34 2.835 3.600 0.047 248 HG3 LYS 34 3HG LYS 34 4.266 3.012 -0.834 249 HD2 LYS 34 2HD LYS 34 5.665 4.658 0.332 250 HD3 LYS 34 3HD LYS 34 4.236 5.259 1.206 251 HE2 LYS 34 2HE LYS 34 3.923 3.014 2.195 252 HE3 LYS 34 3HE LYS 34 5.386 2.454 1.357 253 HZ1 LYS 34 3HZ LYS 34 5.278 4.598 3.369 254 HZ2 LYS 34 1HZ LYS 34 5.840 3.069 3.623 255 HZ3 LYS 34 2HZ LYS 34 6.637 4.078 2.591 256 H ALA 35 HN ALA 35 1.287 2.387 -2.816 257 HA ALA 35 HA ALA 35 -0.543 2.884 -0.594 258 HB1 ALA 35 1HB ALA 35 -2.577 2.641 -1.959 259 HB2 ALA 35 2HB ALA 35 -1.651 4.087 -2.426 260 HB3 ALA 35 3HB ALA 35 -1.583 2.622 -3.434 261 H VAL 36 HN VAL 36 -1.216 1.008 0.316 262 HA VAL 36 HA VAL 36 -0.962 -1.467 -1.281 263 HB VAL 36 HB VAL 36 1.145 -1.296 -0.068 264 HG11 VAL 36 1HG1 VAL 36 1.243 -1.274 2.386 265 HG12 VAL 36 2HG1 VAL 36 0.437 0.177 1.748 266 HG13 VAL 36 3HG1 VAL 36 -0.529 -1.142 2.452 267 HG21 VAL 36 3HG2 VAL 36 0.166 -3.516 -0.375 268 HG22 VAL 36 1HG2 VAL 36 1.083 -3.433 1.145 269 HG23 VAL 36 2HG2 VAL 36 -0.693 -3.362 1.176 270 H SER 37 HN SER 37 -2.503 -2.988 -0.850 271 HA SER 37 HA SER 37 -4.666 -2.025 0.932 272 HB2 SER 37 2HB SER 37 -4.736 -4.200 -1.189 273 HB3 SER 37 3HB SER 37 -6.129 -3.464 -0.360 274 HG SER 37 HG SER 37 -5.749 -2.560 -2.440 275 H ASP 38 HN ASP 38 -2.180 -4.308 0.817 276 HA ASP 38 HA ASP 38 -1.561 -6.060 2.085 277 HB2 ASP 38 2HB ASP 38 -3.539 -4.729 3.876 278 HB3 ASP 38 3HB ASP 38 -2.936 -6.340 4.320 279 HD2 ASP 38 2HD ASP 38 0.143 -5.080 5.227 280 H ARG 39 HN ARG 39 -5.132 -5.939 1.708 281 HA ARG 39 HA ARG 39 -5.422 -8.756 2.276 282 HB2 ARG 39 2HB ARG 39 -7.712 -8.484 1.782 283 HB3 ARG 39 3HB ARG 39 -7.192 -6.972 2.566 284 HG2 ARG 39 2HG ARG 39 -7.095 -5.859 0.396 285 HG3 ARG 39 3HG ARG 39 -7.561 -7.373 -0.416 286 HD2 ARG 39 2HD ARG 39 -9.649 -7.344 1.057 287 HD3 ARG 39 3HD ARG 39 -9.206 -5.675 1.477 288 HE ARG 39 HE ARG 39 -9.496 -6.397 -1.377 289 HH11 ARG 39 2HH1 ARG 39 -10.713 -4.715 1.468 290 HH12 ARG 39 1HH1 ARG 39 -11.821 -3.717 0.555 291 HH21 ARG 39 2HH2 ARG 39 -10.939 -5.103 -2.555 292 HH22 ARG 39 1HH2 ARG 39 -11.950 -3.938 -1.728 293 H LEU 40 HN LEU 40 -3.758 -7.508 -0.154 294 HA LEU 40 HA LEU 40 -4.833 -9.300 -2.238 295 HB2 LEU 40 2HB LEU 40 -3.239 -8.292 -3.717 296 HB3 LEU 40 3HB LEU 40 -4.105 -7.009 -2.838 297 HG LEU 40 HG LEU 40 -1.481 -7.897 -1.738 298 HD11 LEU 40 1HD1 LEU 40 -0.255 -6.427 -3.292 299 HD12 LEU 40 2HD1 LEU 40 -1.039 -7.770 -4.154 300 HD13 LEU 40 3HD1 LEU 40 -1.756 -6.142 -4.203 301 HD21 LEU 40 3HD2 LEU 40 -2.821 -6.155 -0.637 302 HD22 LEU 40 1HD2 LEU 40 -1.288 -5.489 -1.245 303 HD23 LEU 40 2HD2 LEU 40 -2.800 -5.190 -2.132 304 H ILE 41 HN ILE 41 -2.670 -9.343 0.380 305 HA ILE 41 HA ILE 41 -0.615 -10.995 -0.768 306 HB ILE 41 HB ILE 41 -1.405 -10.759 2.160 307 HG12 ILE 41 2HG1 ILE 41 -0.972 -8.550 1.328 308 HG13 ILE 41 3HG1 ILE 41 0.429 -9.082 2.288 309 HG21 ILE 41 1HG2 ILE 41 0.921 -11.444 2.589 310 HG22 ILE 41 2HG2 ILE 41 0.044 -12.677 1.653 311 HG23 ILE 41 3HG2 ILE 41 1.198 -11.595 0.837 312 HD11 ILE 41 3HD1 ILE 41 0.251 -9.055 -0.733 313 HD12 ILE 41 1HD1 ILE 41 1.141 -7.885 0.262 314 HD13 ILE 41 2HD1 ILE 41 1.652 -9.585 0.228 315 H GLY 42 HN GLY 42 -0.888 -12.983 -1.497 316 HA2 GLY 42 1HA GLY 42 -1.377 -15.262 -1.265 317 HA3 GLY 42 2HA GLY 42 -2.418 -14.895 0.128 318 H ARG 43 HN ARG 43 -2.920 -12.837 -2.560 319 HA ARG 43 HA ARG 43 -5.366 -14.394 -3.220 320 HB2 ARG 43 2HB ARG 43 -4.794 -11.422 -3.351 321 HB3 ARG 43 3HB ARG 43 -6.245 -12.185 -4.045 322 HG2 ARG 43 2HG ARG 43 -5.421 -12.151 -1.131 323 HG3 ARG 43 3HG ARG 43 -6.771 -11.263 -1.876 324 HD2 ARG 43 2HD ARG 43 -7.880 -13.350 -2.441 325 HD3 ARG 43 3HD ARG 43 -6.501 -14.283 -1.819 326 HE ARG 43 HE ARG 43 -7.949 -12.475 0.024 327 HH11 ARG 43 2HH1 ARG 43 -7.059 -15.711 -1.022 328 HH12 ARG 43 1HH1 ARG 43 -7.678 -16.485 0.419 329 HH21 ARG 43 2HH2 ARG 43 -8.789 -13.486 1.880 330 HH22 ARG 43 1HH2 ARG 43 -8.661 -15.221 2.067 331 H LYS 44 HN LYS 44 -6.221 -13.833 -5.465 332 HA LYS 44 HA LYS 44 -4.096 -14.577 -7.327 333 HB2 LYS 44 2HB LYS 44 -7.111 -14.438 -7.387 334 HB3 LYS 44 3HB LYS 44 -6.155 -14.732 -8.860 335 HG2 LYS 44 2HG LYS 44 -5.205 -16.739 -7.865 336 HG3 LYS 44 3HG LYS 44 -6.107 -16.437 -6.361 337 HD2 LYS 44 2HD LYS 44 -7.310 -18.084 -7.607 338 HD3 LYS 44 3HD LYS 44 -8.225 -16.560 -7.702 339 HE2 LYS 44 2HE LYS 44 -6.288 -17.429 -9.856 340 HE3 LYS 44 3HE LYS 44 -7.994 -17.927 -9.852 341 HZ1 LYS 44 3HZ LYS 44 -7.021 -15.150 -9.911 342 HZ2 LYS 44 1HZ LYS 44 -7.642 -15.975 -11.193 343 HZ3 LYS 44 2HZ LYS 44 -8.604 -15.613 -9.906 344 H GLY 45 HN GLY 45 -3.549 -13.495 -9.161 345 HA2 GLY 45 1HA GLY 45 -4.923 -10.940 -9.728 346 HA3 GLY 45 2HA GLY 45 -3.158 -10.938 -9.515 347 H VAL 46 HN VAL 46 -5.203 -10.583 -11.838 348 HA VAL 46 HA VAL 46 -4.111 -12.609 -13.684 349 HB VAL 46 HB VAL 46 -6.535 -12.154 -13.749 350 HG11 VAL 46 1HG1 VAL 46 -7.408 -10.008 -14.575 351 HG12 VAL 46 2HG1 VAL 46 -6.506 -9.808 -13.056 352 HG13 VAL 46 3HG1 VAL 46 -5.755 -9.351 -14.605 353 HG21 VAL 46 3HG2 VAL 46 -5.413 -12.898 -15.792 354 HG22 VAL 46 1HG2 VAL 46 -6.769 -11.814 -16.174 355 HG23 VAL 46 2HG2 VAL 46 -5.100 -11.207 -16.246 356 H VAL 47 HN VAL 47 -2.857 -12.105 -15.477 357 HA VAL 47 HA VAL 47 -1.258 -9.690 -15.119 358 HB VAL 47 HB VAL 47 -1.038 -11.874 -17.223 359 HG11 VAL 47 1HG1 VAL 47 1.260 -11.051 -17.504 360 HG12 VAL 47 2HG1 VAL 47 0.067 -9.783 -17.860 361 HG13 VAL 47 3HG1 VAL 47 0.947 -9.768 -16.314 362 HG21 VAL 47 3HG2 VAL 47 -0.818 -12.777 -14.953 363 HG22 VAL 47 1HG2 VAL 47 0.745 -12.802 -15.803 364 HG23 VAL 47 2HG2 VAL 47 0.419 -11.553 -14.579 365 H MET 48 HN MET 48 -1.788 -7.821 -15.978 366 HA MET 48 HA MET 48 -3.546 -7.755 -18.356 367 HB2 MET 48 2HB MET 48 -2.613 -5.575 -16.457 368 HB3 MET 48 3HB MET 48 -3.718 -5.335 -17.831 369 HG2 MET 48 2HG MET 48 -5.333 -6.857 -16.787 370 HG3 MET 48 3HG MET 48 -4.235 -7.077 -15.414 371 HE1 MET 48 3HE MET 48 -6.499 -4.538 -17.396 372 HE2 MET 48 1HE MET 48 -6.237 -3.030 -16.490 373 HE3 MET 48 2HE MET 48 -4.907 -3.744 -17.430 374 H GLU 49 HN GLU 49 -0.310 -6.934 -17.222 375 HA GLU 49 HA GLU 49 0.398 -6.302 -20.044 376 HB2 GLU 49 2HB GLU 49 0.293 -4.226 -18.671 377 HB3 GLU 49 3HB GLU 49 1.524 -4.918 -17.588 378 HG2 GLU 49 2HG GLU 49 2.454 -3.312 -19.224 379 HG3 GLU 49 3HG GLU 49 3.151 -4.939 -19.367 380 HE2 GLU 49 2HE GLU 49 1.912 -5.335 -22.568 381 H ALA 50 HN ALA 50 2.350 -7.094 -20.755 382 HA ALA 50 HA ALA 50 3.058 -9.599 -19.708 383 HB1 ALA 50 1HB ALA 50 4.912 -9.542 -21.332 384 HB2 ALA 50 2HB ALA 50 3.401 -8.932 -22.047 385 HB3 ALA 50 3HB ALA 50 4.671 -7.792 -21.541 386 H ILE 51 HN ILE 51 4.246 -10.256 -18.095 387 HA ILE 51 HA ILE 51 5.977 -8.348 -16.681 388 HB ILE 51 HB ILE 51 5.282 -11.250 -16.052 389 HG12 ILE 51 2HG1 ILE 51 4.228 -8.680 -14.832 390 HG13 ILE 51 3HG1 ILE 51 3.350 -9.692 -16.004 391 HG21 ILE 51 1HG2 ILE 51 6.187 -10.755 -13.815 392 HG22 ILE 51 2HG2 ILE 51 7.424 -10.543 -15.075 393 HG23 ILE 51 3HG2 ILE 51 6.632 -9.119 -14.356 394 HD11 ILE 51 3HD1 ILE 51 4.237 -10.539 -13.235 395 HD12 ILE 51 1HD1 ILE 51 2.578 -10.116 -13.707 396 HD13 ILE 51 2HD1 ILE 51 3.358 -11.550 -14.408 397 H SER 52 HN SER 52 8.064 -8.144 -17.230 398 HA SER 52 HA SER 52 9.489 -10.584 -18.128 399 HB2 SER 52 2HB SER 52 10.587 -9.215 -19.922 400 HB3 SER 52 3HB SER 52 8.850 -9.500 -20.186 401 HG SER 52 HG SER 52 9.458 -7.312 -20.556 402 HA PRO 53 HA PRO 53 12.803 -8.794 -15.763 403 HB2 PRO 53 2HB PRO 53 15.017 -9.843 -17.033 404 HB3 PRO 53 3HB PRO 53 13.891 -10.805 -16.023 405 HG2 PRO 53 2HG PRO 53 14.153 -10.703 -18.951 406 HG3 PRO 53 3HG PRO 53 13.635 -12.061 -17.899 407 HD2 PRO 53 2HD PRO 53 11.992 -10.331 -19.440 408 HD3 PRO 53 3HD PRO 53 11.453 -11.457 -18.158 409 H GLN 54 HN GLN 54 12.028 -7.812 -18.799 410 HA GLN 54 HA GLN 54 14.212 -5.816 -19.017 411 HB2 GLN 54 2HB GLN 54 11.873 -6.536 -20.816 412 HB3 GLN 54 3HB GLN 54 13.027 -5.221 -21.144 413 HG2 GLN 54 2HG GLN 54 14.833 -6.773 -21.371 414 HG3 GLN 54 3HG GLN 54 13.815 -8.119 -20.814 415 HE21 GLN 54 1HE2 GLN 54 14.470 -5.862 -23.449 416 HE22 GLN 54 2HE2 GLN 54 13.609 -6.755 -24.686 417 H ASN 55 HN ASN 55 10.718 -6.187 -18.578 418 HA ASN 55 HA ASN 55 10.596 -3.587 -17.211 419 HB2 ASN 55 2HB ASN 55 10.148 -2.941 -19.509 420 HB3 ASN 55 3HB ASN 55 8.962 -4.253 -19.685 421 HD21 ASN 55 1HD2 ASN 55 6.887 -3.997 -18.942 422 HD22 ASN 55 2HD2 ASN 55 6.278 -2.482 -18.309 423 H SER 56 HN SER 56 9.347 -3.776 -15.451 424 HA SER 56 HA SER 56 8.165 -6.240 -14.719 425 HB2 SER 56 2HB SER 56 7.273 -3.562 -13.628 426 HB3 SER 56 3HB SER 56 7.408 -5.123 -12.783 427 HG SER 56 HG SER 56 9.133 -3.686 -12.277 428 H GLY 57 HN GLY 57 5.988 -6.890 -14.538 429 HA2 GLY 57 1HA GLY 57 4.356 -5.705 -16.699 430 HA3 GLY 57 2HA GLY 57 4.137 -7.308 -15.960 431 H LEU 58 HN LEU 58 1.899 -5.998 -16.265 432 HA LEU 58 HA LEU 58 1.352 -4.769 -13.606 433 HB2 LEU 58 2HB LEU 58 0.004 -4.307 -16.282 434 HB3 LEU 58 3HB LEU 58 -0.581 -3.665 -14.728 435 HG LEU 58 HG LEU 58 2.067 -3.007 -16.034 436 HD11 LEU 58 1HD1 LEU 58 1.074 -0.789 -16.422 437 HD12 LEU 58 2HD1 LEU 58 0.158 -2.068 -17.250 438 HD13 LEU 58 3HD1 LEU 58 -0.466 -1.363 -15.740 439 HD21 LEU 58 3HD2 LEU 58 2.159 -2.930 -13.588 440 HD22 LEU 58 1HD2 LEU 58 2.246 -1.294 -14.280 441 HD23 LEU 58 2HD2 LEU 58 0.726 -1.874 -13.561 442 H VAL 59 HN VAL 59 -0.001 -5.829 -12.317 443 HA VAL 59 HA VAL 59 -1.761 -7.872 -13.571 444 HB VAL 59 HB VAL 59 -1.578 -9.161 -11.430 445 HG11 VAL 59 1HG1 VAL 59 0.629 -10.127 -11.924 446 HG12 VAL 59 2HG1 VAL 59 -0.281 -9.789 -13.414 447 HG13 VAL 59 3HG1 VAL 59 1.033 -8.700 -12.907 448 HG21 VAL 59 3HG2 VAL 59 -0.841 -7.337 -9.967 449 HG22 VAL 59 1HG2 VAL 59 0.303 -8.697 -9.911 450 HG23 VAL 59 2HG2 VAL 59 0.700 -7.241 -10.852 451 H LYS 60 HN LYS 60 -3.856 -8.022 -12.850 452 HA LYS 60 HA LYS 60 -4.722 -5.726 -11.189 453 HB2 LYS 60 2HB LYS 60 -5.732 -6.119 -13.451 454 HB3 LYS 60 3HB LYS 60 -6.404 -7.643 -12.826 455 HG2 LYS 60 2HG LYS 60 -7.743 -6.443 -11.210 456 HG3 LYS 60 3HG LYS 60 -6.994 -4.899 -11.683 457 HD2 LYS 60 2HD LYS 60 -7.908 -5.190 -13.972 458 HD3 LYS 60 3HD LYS 60 -8.711 -6.686 -13.438 459 HE2 LYS 60 2HE LYS 60 -9.189 -3.922 -12.284 460 HE3 LYS 60 3HE LYS 60 -10.238 -4.744 -13.461 461 HZ1 LYS 60 3HZ LYS 60 -9.632 -5.701 -10.744 462 HZ2 LYS 60 1HZ LYS 60 -11.044 -4.997 -11.221 463 HZ3 LYS 60 2HZ LYS 60 -10.606 -6.463 -11.836 464 H VAL 61 HN VAL 61 -4.717 -6.175 -9.091 465 HA VAL 61 HA VAL 61 -5.734 -8.850 -8.261 466 HB VAL 61 HB VAL 61 -3.842 -7.047 -6.707 467 HG11 VAL 61 1HG1 VAL 61 -3.504 -9.038 -5.301 468 HG12 VAL 61 2HG1 VAL 61 -5.212 -8.540 -5.325 469 HG13 VAL 61 3HG1 VAL 61 -4.676 -9.935 -6.292 470 HG21 VAL 61 3HG2 VAL 61 -2.748 -7.859 -8.743 471 HG22 VAL 61 1HG2 VAL 61 -2.063 -8.638 -7.299 472 HG23 VAL 61 2HG2 VAL 61 -3.206 -9.529 -8.332 473 H ASP 62 HN ASP 62 -7.557 -8.866 -7.160 474 HA ASP 62 HA ASP 62 -9.382 -8.195 -5.980 475 HB2 ASP 62 2HB ASP 62 -7.610 -7.514 -4.294 476 HB3 ASP 62 3HB ASP 62 -7.753 -5.863 -4.934 477 HD2 ASP 62 2HD ASP 62 -10.330 -7.029 -2.288 478 H GLY 63 HN GLY 63 -8.131 -4.875 -6.335 479 HA2 GLY 63 1HA GLY 63 -9.989 -4.446 -8.593 480 HA3 GLY 63 2HA GLY 63 -10.238 -3.491 -7.114 481 H GLU 64 HN GLU 64 -6.981 -4.126 -7.354 482 HA GLU 64 HA GLU 64 -6.538 -1.487 -8.660 483 HB2 GLU 64 2HB GLU 64 -5.052 -2.952 -6.466 484 HB3 GLU 64 3HB GLU 64 -4.378 -1.546 -7.325 485 HG2 GLU 64 2HG GLU 64 -7.000 -1.516 -5.823 486 HG3 GLU 64 3HG GLU 64 -5.441 -1.036 -5.118 487 HE2 GLU 64 2HE GLU 64 -5.379 1.715 -7.498 488 H THR 65 HN THR 65 -4.771 -1.230 -10.047 489 HA THR 65 HA THR 65 -3.700 -3.759 -11.158 490 HB THR 65 HB THR 65 -3.337 -0.957 -12.268 491 HG1 THR 65 1HG THR 65 -5.129 -1.514 -13.620 492 HG21 THR 65 3HG2 THR 65 -3.194 -3.716 -13.538 493 HG22 THR 65 1HG2 THR 65 -2.946 -2.171 -14.383 494 HG23 THR 65 2HG2 THR 65 -1.804 -2.686 -13.121 495 H TRP 66 HN TRP 66 -1.843 -4.422 -10.388 496 HA TRP 66 HA TRP 66 -0.051 -2.438 -9.085 497 HB2 TRP 66 2HB TRP 66 -0.206 -5.449 -8.713 498 HB3 TRP 66 3HB TRP 66 0.809 -4.328 -7.796 499 HD1 TRP 66 1HD TRP 66 -2.880 -5.408 -8.164 500 HE1 TRP 66 1HE TRP 66 -4.174 -4.713 -6.071 501 HE3 TRP 66 3HE TRP 66 0.803 -2.692 -5.900 502 HZ2 TRP 66 2HZ TRP 66 -3.663 -3.181 -3.736 503 HZ3 TRP 66 3HZ TRP 66 0.326 -1.640 -3.727 504 HH2 TRP 66 2HH TRP 66 -1.874 -1.892 -2.655 505 H ARG 67 HN ARG 67 2.284 -2.895 -9.221 506 HA ARG 67 HA ARG 67 3.019 -3.977 -11.860 507 HB2 ARG 67 2HB ARG 67 4.845 -2.840 -9.727 508 HB3 ARG 67 3HB ARG 67 5.219 -3.125 -11.444 509 HG2 ARG 67 2HG ARG 67 4.922 -0.823 -11.324 510 HG3 ARG 67 3HG ARG 67 3.348 -1.409 -11.914 511 HD2 ARG 67 2HD ARG 67 2.392 -1.252 -9.716 512 HD3 ARG 67 3HD ARG 67 3.977 -0.891 -8.998 513 HE ARG 67 HE ARG 67 3.485 1.108 -10.890 514 HH11 ARG 67 2HH1 ARG 67 2.055 -0.106 -7.909 515 HH12 ARG 67 1HH1 ARG 67 1.390 1.443 -7.444 516 HH21 ARG 67 2HH2 ARG 67 2.598 3.135 -10.276 517 HH22 ARG 67 1HH2 ARG 67 1.698 3.279 -8.784 518 H ALA 68 HN ALA 68 4.385 -5.775 -12.093 519 HA ALA 68 HA ALA 68 4.767 -7.370 -9.632 520 HB1 ALA 68 1HB ALA 68 3.732 -9.346 -10.669 521 HB2 ALA 68 2HB ALA 68 2.572 -8.007 -10.515 522 HB3 ALA 68 3HB ALA 68 3.307 -8.371 -12.095 523 H THR 69 HN THR 69 6.259 -9.023 -9.746 524 HA THR 69 HA THR 69 7.743 -9.373 -12.271 525 HB THR 69 HB THR 69 9.312 -9.024 -9.718 526 HG1 THR 69 1HG THR 69 9.576 -6.804 -10.315 527 HG21 THR 69 3HG2 THR 69 9.932 -8.520 -12.649 528 HG22 THR 69 1HG2 THR 69 11.083 -8.367 -11.302 529 HG23 THR 69 2HG2 THR 69 10.407 -9.959 -11.714 530 H SER 70 HN SER 70 9.121 -11.320 -12.189 531 HA SER 70 HA SER 70 8.639 -13.154 -9.941 532 HB2 SER 70 2HB SER 70 6.702 -13.338 -11.631 533 HB3 SER 70 3HB SER 70 7.903 -14.039 -12.741 534 HG SER 70 HG SER 70 6.776 -15.633 -11.527 535 H GLY 71 HN GLY 71 10.743 -11.715 -11.846 536 HA2 GLY 71 1HA GLY 71 12.920 -12.226 -12.431 537 HA3 GLY 71 2HA GLY 71 12.700 -13.849 -11.736 538 H THR 72 HN THR 72 10.417 -14.578 -13.303 539 HA THR 72 HA THR 72 11.787 -15.021 -15.905 540 HB THR 72 HB THR 72 9.434 -16.623 -14.878 541 HG1 THR 72 1HG THR 72 11.006 -18.021 -13.903 542 HG21 THR 72 3HG2 THR 72 11.825 -17.334 -16.616 543 HG22 THR 72 1HG2 THR 72 10.487 -18.427 -16.199 544 HG23 THR 72 2HG2 THR 72 10.178 -16.990 -17.199 545 H VAL 73 HN VAL 73 10.072 -15.448 -17.728 546 HA VAL 73 HA VAL 73 8.540 -12.958 -17.844 547 HB VAL 73 HB VAL 73 9.952 -13.579 -19.747 548 HG11 VAL 73 1HG1 VAL 73 9.409 -15.493 -21.191 549 HG12 VAL 73 2HG1 VAL 73 9.833 -16.014 -19.545 550 HG13 VAL 73 3HG1 VAL 73 8.129 -15.982 -20.059 551 HG21 VAL 73 3HG2 VAL 73 7.951 -12.232 -20.165 552 HG22 VAL 73 1HG2 VAL 73 8.309 -13.284 -21.553 553 HG23 VAL 73 2HG2 VAL 73 7.000 -13.713 -20.429 554 H LEU 74 HN LEU 74 6.415 -12.726 -17.769 555 HA LEU 74 HA LEU 74 4.699 -15.157 -17.959 556 HB2 LEU 74 2HB LEU 74 4.392 -12.809 -16.062 557 HB3 LEU 74 3HB LEU 74 3.196 -14.107 -16.294 558 HG LEU 74 HG LEU 74 6.014 -14.520 -15.262 559 HD11 LEU 74 1HD1 LEU 74 4.962 -14.823 -13.056 560 HD12 LEU 74 2HD1 LEU 74 4.681 -13.185 -13.691 561 HD13 LEU 74 3HD1 LEU 74 3.381 -14.398 -13.754 562 HD21 LEU 74 3HD2 LEU 74 5.040 -16.474 -16.386 563 HD22 LEU 74 1HD2 LEU 74 5.171 -16.747 -14.632 564 HD23 LEU 74 2HD2 LEU 74 3.594 -16.352 -15.354 565 H ASP 75 HN ASP 75 2.969 -14.941 -19.331 566 HA ASP 75 HA ASP 75 3.050 -12.466 -20.928 567 HB2 ASP 75 2HB ASP 75 3.024 -15.000 -21.750 568 HB3 ASP 75 3HB ASP 75 1.267 -14.765 -21.631 569 HD2 ASP 75 2HD ASP 75 1.310 -12.452 -24.284 570 H VAL 76 HN VAL 76 0.728 -12.078 -21.995 571 HA VAL 76 HA VAL 76 -0.761 -10.958 -19.757 572 HB VAL 76 HB VAL 76 -1.309 -10.805 -22.748 573 HG11 VAL 76 1HG1 VAL 76 -2.659 -8.828 -22.185 574 HG12 VAL 76 2HG1 VAL 76 -3.276 -10.290 -21.383 575 HG13 VAL 76 3HG1 VAL 76 -2.331 -9.097 -20.458 576 HG21 VAL 76 3HG2 VAL 76 0.897 -9.900 -22.178 577 HG22 VAL 76 1HG2 VAL 76 -0.223 -8.600 -22.649 578 HG23 VAL 76 2HG2 VAL 76 0.158 -8.866 -20.932 579 H GLY 77 HN GLY 77 -2.764 -11.522 -19.034 580 HA2 GLY 77 1HA GLY 77 -4.875 -12.587 -19.237 581 HA3 GLY 77 2HA GLY 77 -4.224 -13.612 -20.537 582 H GLU 78 HN GLU 78 -1.819 -13.663 -18.387 583 HA GLU 78 HA GLU 78 -2.497 -16.285 -17.425 584 HB2 GLU 78 2HB GLU 78 -0.227 -14.360 -17.110 585 HB3 GLU 78 3HB GLU 78 -0.356 -15.740 -15.994 586 HG2 GLU 78 2HG GLU 78 -0.242 -15.904 -19.010 587 HG3 GLU 78 3HG GLU 78 1.109 -16.214 -17.897 588 HE2 GLU 78 2HE GLU 78 -0.611 -19.173 -16.757 589 H GLU 79 HN GLU 79 -2.292 -16.915 -15.179 590 HA GLU 79 HA GLU 79 -3.571 -14.938 -13.344 591 HB2 GLU 79 2HB GLU 79 -3.836 -17.958 -13.505 592 HB3 GLU 79 3HB GLU 79 -4.508 -16.950 -12.201 593 HG2 GLU 79 2HG GLU 79 -5.225 -16.328 -15.038 594 HG3 GLU 79 3HG GLU 79 -5.984 -17.722 -14.239 595 HE2 GLU 79 2HE GLU 79 -6.926 -14.082 -12.950 596 H VAL 80 HN VAL 80 -2.349 -14.384 -11.652 597 HA VAL 80 HA VAL 80 -0.284 -16.347 -10.799 598 HB VAL 80 HB VAL 80 1.251 -14.491 -10.274 599 HG11 VAL 80 1HG1 VAL 80 1.902 -13.935 -12.577 600 HG12 VAL 80 2HG1 VAL 80 1.445 -15.647 -12.422 601 HG13 VAL 80 3HG1 VAL 80 0.314 -14.486 -13.158 602 HG21 VAL 80 3HG2 VAL 80 -0.400 -12.716 -9.929 603 HG22 VAL 80 1HG2 VAL 80 0.825 -12.222 -11.120 604 HG23 VAL 80 2HG2 VAL 80 -0.790 -12.731 -11.666 605 H SER 81 HN SER 81 0.468 -16.091 -8.588 606 HA SER 81 HA SER 81 -1.641 -14.910 -6.843 607 HB2 SER 81 2HB SER 81 0.346 -17.116 -6.188 608 HB3 SER 81 3HB SER 81 -1.009 -16.556 -5.179 609 HG SER 81 HG SER 81 -1.512 -18.457 -6.371 610 H VAL 82 HN VAL 82 -1.081 -13.336 -5.446 611 HA VAL 82 HA VAL 82 1.697 -12.373 -5.568 612 HB VAL 82 HB VAL 82 -0.710 -11.190 -4.132 613 HG11 VAL 82 1HG1 VAL 82 0.596 -9.111 -4.127 614 HG12 VAL 82 2HG1 VAL 82 1.439 -10.414 -3.259 615 HG13 VAL 82 3HG1 VAL 82 1.952 -9.962 -4.902 616 HG21 VAL 82 3HG2 VAL 82 -1.119 -11.362 -6.538 617 HG22 VAL 82 1HG2 VAL 82 -0.900 -9.666 -6.049 618 HG23 VAL 82 2HG2 VAL 82 0.422 -10.532 -6.867 619 H LYS 83 HN LYS 83 3.107 -13.330 -4.193 620 HA LYS 83 HA LYS 83 2.063 -14.213 -1.580 621 HB2 LYS 83 2HB LYS 83 4.378 -14.938 -3.302 622 HB3 LYS 83 3HB LYS 83 4.571 -15.105 -1.540 623 HG2 LYS 83 2HG LYS 83 2.396 -16.434 -1.578 624 HG3 LYS 83 3HG LYS 83 2.574 -16.476 -3.349 625 HD2 LYS 83 2HD LYS 83 4.766 -17.538 -3.116 626 HD3 LYS 83 3HD LYS 83 4.619 -17.470 -1.343 627 HE2 LYS 83 2HE LYS 83 4.064 -19.696 -2.071 628 HE3 LYS 83 3HE LYS 83 2.578 -18.897 -1.512 629 HZ1 LYS 83 3HZ LYS 83 3.404 -19.204 -4.319 630 HZ2 LYS 83 1HZ LYS 83 2.232 -20.080 -3.562 631 HZ3 LYS 83 2HZ LYS 83 2.025 -18.463 -3.800 632 H ALA 84 HN ALA 84 4.452 -11.987 -2.998 633 HA ALA 84 HA ALA 84 4.673 -10.702 -0.352 634 HB1 ALA 84 1HB ALA 84 7.136 -10.687 -0.438 635 HB2 ALA 84 2HB ALA 84 6.499 -12.347 -0.382 636 HB3 ALA 84 3HB ALA 84 7.088 -11.671 -1.920 637 H ILE 85 HN ILE 85 6.077 -8.682 -0.524 638 HA ILE 85 HA ILE 85 5.645 -7.400 -3.180 639 HB ILE 85 HB ILE 85 5.317 -6.074 -0.457 640 HG12 ILE 85 2HG1 ILE 85 3.222 -6.918 -2.482 641 HG13 ILE 85 3HG1 ILE 85 3.510 -7.666 -0.893 642 HG21 ILE 85 1HG2 ILE 85 4.445 -4.167 -1.751 643 HG22 ILE 85 2HG2 ILE 85 6.117 -4.558 -2.216 644 HG23 ILE 85 3HG2 ILE 85 4.763 -5.048 -3.263 645 HD11 ILE 85 3HD1 ILE 85 2.588 -4.824 -1.380 646 HD12 ILE 85 1HD1 ILE 85 1.562 -6.166 -0.832 647 HD13 ILE 85 2HD1 ILE 85 2.873 -5.574 0.208 648 H GLU 86 HN GLU 86 7.392 -6.391 -4.007 649 HA GLU 86 HA GLU 86 9.669 -5.862 -2.152 650 HB2 GLU 86 2HB GLU 86 9.995 -7.758 -3.799 651 HB3 GLU 86 3HB GLU 86 9.881 -6.545 -5.097 652 HG2 GLU 86 2HG GLU 86 11.858 -6.108 -2.898 653 HG3 GLU 86 3HG GLU 86 12.210 -7.344 -4.125 654 HE2 GLU 86 2HE GLU 86 12.777 -4.945 -6.574 655 H GLY 87 HN GLY 87 9.214 -3.752 -1.727 656 HA2 GLY 87 1HA GLY 87 9.326 -1.488 -2.134 657 HA3 GLY 87 2HA GLY 87 9.808 -1.843 -3.808 658 H VAL 88 HN VAL 88 8.443 -1.299 -5.339 659 HA VAL 88 HA VAL 88 5.593 -0.890 -4.587 660 HB VAL 88 HB VAL 88 6.921 1.065 -5.488 661 HG11 VAL 88 1HG1 VAL 88 7.392 1.156 -7.896 662 HG12 VAL 88 2HG1 VAL 88 8.296 -0.151 -7.099 663 HG13 VAL 88 3HG1 VAL 88 6.849 -0.530 -8.064 664 HG21 VAL 88 3HG2 VAL 88 4.480 1.023 -5.580 665 HG22 VAL 88 1HG2 VAL 88 5.152 1.847 -7.005 666 HG23 VAL 88 2HG2 VAL 88 4.543 0.182 -7.147 667 H LYS 89 HN LYS 89 7.539 -3.200 -5.813 668 HA LYS 89 HA LYS 89 5.620 -4.029 -7.938 669 HB2 LYS 89 2HB LYS 89 8.392 -5.141 -7.441 670 HB3 LYS 89 3HB LYS 89 7.372 -5.330 -8.887 671 HG2 LYS 89 2HG LYS 89 7.642 -2.953 -9.398 672 HG3 LYS 89 3HG LYS 89 8.642 -2.747 -7.940 673 HD2 LYS 89 2HD LYS 89 9.271 -4.406 -10.396 674 HD3 LYS 89 3HD LYS 89 10.106 -2.940 -9.831 675 HE2 LYS 89 2HE LYS 89 10.063 -5.664 -8.500 676 HE3 LYS 89 3HE LYS 89 11.450 -4.860 -9.267 677 HZ1 LYS 89 3HZ LYS 89 10.050 -3.928 -6.850 678 HZ2 LYS 89 1HZ LYS 89 11.520 -4.671 -6.881 679 HZ3 LYS 89 2HZ LYS 89 11.338 -3.182 -7.561 680 H LEU 90 HN LEU 90 4.942 -6.250 -7.982 681 HA LEU 90 HA LEU 90 4.931 -7.430 -5.263 682 HB2 LEU 90 2HB LEU 90 3.243 -8.140 -7.677 683 HB3 LEU 90 3HB LEU 90 3.037 -8.736 -6.013 684 HG LEU 90 HG LEU 90 2.596 -5.910 -6.996 685 HD11 LEU 90 1HD1 LEU 90 0.248 -6.368 -6.426 686 HD12 LEU 90 2HD1 LEU 90 0.853 -7.503 -7.654 687 HD13 LEU 90 3HD1 LEU 90 0.686 -8.029 -5.961 688 HD21 LEU 90 3HD2 LEU 90 3.518 -5.930 -4.724 689 HD22 LEU 90 1HD2 LEU 90 1.807 -5.444 -4.714 690 HD23 LEU 90 2HD2 LEU 90 2.266 -7.090 -4.221 691 H VAL 91 HN VAL 91 5.564 -9.506 -4.875 692 HA VAL 91 HA VAL 91 7.107 -10.821 -7.030 693 HB VAL 91 HB VAL 91 6.904 -11.539 -4.081 694 HG11 VAL 91 1HG1 VAL 91 8.892 -12.918 -4.516 695 HG12 VAL 91 2HG1 VAL 91 7.514 -13.424 -5.521 696 HG13 VAL 91 3HG1 VAL 91 8.830 -12.460 -6.234 697 HG21 VAL 91 3HG2 VAL 91 7.928 -9.333 -4.383 698 HG22 VAL 91 1HG2 VAL 91 9.133 -10.528 -3.852 699 HG23 VAL 91 2HG2 VAL 91 9.077 -10.020 -5.555 700 H VAL 92 HN VAL 92 5.753 -11.933 -8.311 701 HA VAL 92 HA VAL 92 3.553 -13.421 -6.978 702 HB VAL 92 HB VAL 92 2.337 -13.258 -9.127 703 HG11 VAL 92 1HG1 VAL 92 1.788 -10.864 -8.997 704 HG12 VAL 92 2HG1 VAL 92 1.957 -11.584 -7.379 705 HG13 VAL 92 3HG1 VAL 92 3.264 -10.578 -8.049 706 HG21 VAL 92 3HG2 VAL 92 4.262 -13.095 -10.639 707 HG22 VAL 92 1HG2 VAL 92 3.133 -11.747 -10.902 708 HG23 VAL 92 2HG2 VAL 92 4.640 -11.479 -9.997 709 H GLU 93 HN GLU 93 2.911 -15.435 -7.857 710 HA GLU 93 HA GLU 93 4.916 -16.731 -9.640 711 HB2 GLU 93 2HB GLU 93 3.473 -18.085 -7.340 712 HB3 GLU 93 3HB GLU 93 4.694 -18.799 -8.419 713 HG2 GLU 93 2HG GLU 93 6.402 -17.339 -7.486 714 HG3 GLU 93 3HG GLU 93 5.191 -16.563 -6.443 715 HE2 GLU 93 2HE GLU 93 6.926 -19.694 -5.048 716 H LYS 94 HN LYS 94 3.955 -18.500 -10.908 717 HA LYS 94 HA LYS 94 1.294 -17.796 -11.785 718 HB2 LYS 94 2HB LYS 94 2.930 -18.639 -13.370 719 HB3 LYS 94 3HB LYS 94 3.082 -20.156 -12.452 720 HG2 LYS 94 2HG LYS 94 0.775 -20.733 -12.976 721 HG3 LYS 94 3HG LYS 94 0.564 -19.188 -13.834 722 HD2 LYS 94 2HD LYS 94 2.132 -19.830 -15.529 723 HD3 LYS 94 3HD LYS 94 2.616 -21.276 -14.609 724 HE2 LYS 94 2HE LYS 94 1.051 -21.739 -16.516 725 HE3 LYS 94 3HE LYS 94 0.464 -22.293 -14.934 726 HZ1 LYS 94 3HZ LYS 94 -0.356 -19.811 -16.292 727 HZ2 LYS 94 1HZ LYS 94 -1.256 -21.188 -16.183 728 HZ3 LYS 94 2HZ LYS 94 -0.901 -20.326 -14.823 729 H LEU 95 HN LEU 95 -0.630 -18.796 -11.419 730 HA LEU 95 HA LEU 95 -1.121 -20.360 -9.151 731 HB2 LEU 95 2HB LEU 95 -2.520 -19.697 -11.655 732 HB3 LEU 95 3HB LEU 95 -3.019 -21.236 -10.913 733 HG LEU 95 HG LEU 95 -3.393 -19.941 -8.777 734 HD11 LEU 95 1HD1 LEU 95 -3.760 -17.518 -8.982 735 HD12 LEU 95 2HD1 LEU 95 -2.074 -17.957 -9.338 736 HD13 LEU 95 3HD1 LEU 95 -3.195 -17.578 -10.667 737 HD21 LEU 95 3HD2 LEU 95 -5.211 -20.702 -10.234 738 HD22 LEU 95 1HD2 LEU 95 -5.597 -19.125 -9.509 739 HD23 LEU 95 2HD2 LEU 95 -5.066 -19.218 -11.204 740 H GLU 96 HN GLU 96 -1.308 -22.547 -8.761 741 HA GLU 96 HA GLU 96 -0.537 -24.692 -8.811 742 HB2 GLU 96 2HB GLU 96 -2.078 -24.847 -10.749 743 HB3 GLU 96 3HB GLU 96 -0.736 -24.389 -11.826 744 HG2 GLU 96 2HG GLU 96 -0.839 -26.696 -12.035 745 HG3 GLU 96 3HG GLU 96 0.472 -26.442 -10.862 746 HE2 GLU 96 2HE GLU 96 -1.479 -27.805 -8.262 747 H GLU 97 HN GLU 97 1.508 -23.886 -7.938 748 HA GLU 97 HA GLU 97 3.656 -23.267 -9.743 749 HB2 GLU 97 2HB GLU 97 5.103 -23.324 -7.803 750 HB3 GLU 97 3HB GLU 97 3.622 -22.398 -7.466 751 HG2 GLU 97 2HG GLU 97 4.029 -25.259 -6.593 752 HG3 GLU 97 3HG GLU 97 4.480 -23.856 -5.601 753 HE2 GLU 97 2HE GLU 97 0.775 -23.207 -5.793 754 H GLN 98 HN GLN 98 3.991 -24.793 -11.237 755 HA GLN 98 HA GLN 98 4.040 -27.622 -10.544 756 HB2 GLN 98 2HB GLN 98 3.245 -26.448 -12.730 757 HB3 GLN 98 3HB GLN 98 4.976 -26.420 -13.147 758 HG2 GLN 98 2HG GLN 98 5.043 -28.876 -12.887 759 HG3 GLN 98 3HG GLN 98 3.297 -28.869 -12.562 760 HE21 GLN 98 1HE2 GLN 98 2.657 -30.048 -14.329 761 HE22 GLN 98 2HE2 GLN 98 2.794 -29.459 -15.973 762 H LYS 99 HN LYS 99 6.378 -25.141 -11.597 763 HA LYS 99 HA LYS 99 8.589 -27.033 -11.553 764 HB2 LYS 99 2HB LYS 99 8.562 -24.009 -11.844 765 HB3 LYS 99 3HB LYS 99 9.972 -25.066 -12.095 766 HG2 LYS 99 2HG LYS 99 9.221 -24.595 -14.251 767 HG3 LYS 99 3HG LYS 99 8.551 -26.208 -13.908 768 HD2 LYS 99 2HD LYS 99 6.386 -25.220 -13.364 769 HD3 LYS 99 3HD LYS 99 7.047 -23.587 -13.622 770 HE2 LYS 99 2HE LYS 99 6.873 -25.758 -15.736 771 HE3 LYS 99 3HE LYS 99 5.724 -24.414 -15.552 772 HZ1 LYS 99 3HZ LYS 99 8.599 -24.142 -16.128 773 HZ2 LYS 99 1HZ LYS 99 7.379 -23.946 -17.219 774 HZ3 LYS 99 2HZ LYS 99 7.533 -22.896 -15.958 775 H GLY 100 HN GLY 100 9.556 -27.674 -9.723 776 HA2 GLY 100 1HA GLY 100 10.817 -25.962 -7.949 777 HA3 GLY 100 2HA GLY 100 9.200 -26.228 -7.259 778 H SER 101 HN SER 101 12.296 -27.193 -7.045 779 HA SER 101 HA SER 101 11.492 -29.935 -6.192 780 HB2 SER 101 2HB SER 101 14.214 -28.948 -7.128 781 HB3 SER 101 3HB SER 101 13.845 -30.592 -6.554 782 HG SER 101 HG SER 101 13.799 -30.419 -8.849 Start of MODEL 13 1 H1 MET 1 HN MET 1 37.504 -1.437 -17.181 2 HA MET 1 HA MET 1 38.504 -3.234 -19.146 3 HB2 MET 1 2HB MET 1 40.302 -2.916 -16.722 4 HB3 MET 1 3HB MET 1 40.387 -4.253 -17.894 5 HG2 MET 1 2HG MET 1 40.940 -2.656 -19.672 6 HG3 MET 1 3HG MET 1 40.848 -1.322 -18.510 7 HE1 MET 1 3HE MET 1 43.282 -0.499 -19.146 8 HE2 MET 1 1HE MET 1 44.710 -1.558 -19.189 9 HE3 MET 1 2HE MET 1 43.390 -1.801 -20.355 10 H GLY 2 HN GLY 2 37.969 -5.404 -18.659 11 HA2 GLY 2 1HA GLY 2 37.514 -6.562 -16.226 12 HA3 GLY 2 2HA GLY 2 36.019 -5.645 -16.521 13 H SER 3 HN SER 3 34.929 -7.695 -16.500 14 HA SER 3 HA SER 3 34.820 -8.827 -19.214 15 HB2 SER 3 2HB SER 3 35.191 -10.585 -16.759 16 HB3 SER 3 3HB SER 3 34.953 -11.136 -18.435 17 HG SER 3 HG SER 3 37.166 -11.125 -17.807 18 H SER 4 HN SER 4 32.732 -8.541 -19.716 19 HA SER 4 HA SER 4 30.779 -8.494 -17.513 20 HB2 SER 4 2HB SER 4 29.270 -7.677 -19.458 21 HB3 SER 4 3HB SER 4 30.551 -6.598 -18.856 22 HG SER 4 HG SER 4 30.512 -6.737 -21.152 23 H HIS 5 HN HIS 5 30.697 -10.746 -17.083 24 HA HIS 5 HA HIS 5 28.765 -12.034 -18.938 25 HB2 HIS 5 2HB HIS 5 31.042 -13.444 -17.506 26 HB3 HIS 5 3HB HIS 5 29.730 -14.246 -18.388 27 HD1 HIS 5 1HD HIS 5 29.594 -13.442 -21.057 28 HD2 HIS 5 2HD HIS 5 33.237 -13.028 -19.049 29 HE1 HIS 5 1HE HIS 5 31.380 -13.268 -22.852 30 HE2 HIS 5 2HE HIS 5 33.583 -13.011 -21.623 31 H HIS 6 HN HIS 6 26.969 -11.627 -17.758 32 HA HIS 6 HA HIS 6 27.050 -12.184 -14.855 33 HB2 HIS 6 2HB HIS 6 25.182 -10.664 -16.661 34 HB3 HIS 6 3HB HIS 6 24.623 -11.236 -15.079 35 HD1 HIS 6 1HD HIS 6 24.355 -8.625 -14.553 36 HD2 HIS 6 2HD HIS 6 28.267 -10.017 -15.006 37 HE1 HIS 6 1HE HIS 6 25.858 -6.849 -13.551 38 HE2 HIS 6 2HE HIS 6 28.234 -7.701 -13.820 39 H HIS 7 HN HIS 7 26.321 -14.014 -14.044 40 HA HIS 7 HA HIS 7 24.065 -15.342 -15.415 41 HB2 HIS 7 2HB HIS 7 25.086 -17.564 -15.064 42 HB3 HIS 7 3HB HIS 7 25.989 -16.562 -16.214 43 HD1 HIS 7 1HD HIS 7 26.350 -18.502 -13.098 44 HD2 HIS 7 2HD HIS 7 28.482 -15.539 -15.131 45 HE1 HIS 7 1HE HIS 7 28.687 -18.515 -12.120 46 HE2 HIS 7 2HE HIS 7 29.978 -16.716 -13.359 47 H HIS 8 HN HIS 8 22.691 -14.550 -13.803 48 HA HIS 8 HA HIS 8 22.840 -16.226 -11.395 49 HB2 HIS 8 2HB HIS 8 22.314 -14.368 -9.869 50 HB3 HIS 8 3HB HIS 8 23.921 -14.225 -10.606 51 HD1 HIS 8 1HD HIS 8 20.876 -12.346 -9.952 52 HD2 HIS 8 2HD HIS 8 23.955 -12.207 -12.774 53 HE1 HIS 8 1HE HIS 8 20.786 -10.036 -10.981 54 HE2 HIS 8 2HE HIS 8 22.663 -9.946 -12.686 55 H HIS 9 HN HIS 9 21.179 -17.372 -12.425 56 HA HIS 9 HA HIS 9 18.580 -15.959 -12.592 57 HB2 HIS 9 2HB HIS 9 19.468 -18.733 -13.436 58 HB3 HIS 9 3HB HIS 9 17.777 -18.199 -13.465 59 HD1 HIS 9 1HD HIS 9 17.010 -16.836 -15.434 60 HD2 HIS 9 2HD HIS 9 21.158 -17.325 -15.306 61 HE1 HIS 9 1HE HIS 9 17.894 -15.972 -17.648 62 HE2 HIS 9 2HE HIS 9 20.414 -16.260 -17.559 63 H HIS 10 HN HIS 10 17.695 -15.720 -10.620 64 HA HIS 10 HA HIS 10 18.101 -17.702 -8.535 65 HB2 HIS 10 2HB HIS 10 17.706 -15.115 -8.358 66 HB3 HIS 10 3HB HIS 10 15.991 -15.557 -8.454 67 HD1 HIS 10 1HD HIS 10 15.193 -17.361 -6.525 68 HD2 HIS 10 2HD HIS 10 18.753 -15.272 -5.869 69 HE1 HIS 10 1HE HIS 10 15.677 -17.544 -4.039 70 HE2 HIS 10 2HE HIS 10 17.844 -16.274 -3.649 71 H SER 11 HN SER 11 17.066 -19.588 -8.505 72 HA SER 11 HA SER 11 14.751 -20.098 -10.132 73 HB2 SER 11 2HB SER 11 15.772 -21.763 -7.807 74 HB3 SER 11 3HB SER 11 14.844 -22.313 -9.221 75 HG SER 11 HG SER 11 17.094 -22.760 -9.405 76 H SER 12 HN SER 12 12.677 -20.908 -9.324 77 HA SER 12 HA SER 12 11.940 -20.100 -6.594 78 HB2 SER 12 2HB SER 12 11.501 -18.080 -7.929 79 HB3 SER 12 3HB SER 12 10.522 -19.037 -9.067 80 HG SER 12 HG SER 12 9.246 -17.949 -7.493 81 H GLY 13 HN GLY 13 11.896 -22.438 -6.420 82 HA2 GLY 13 1HA GLY 13 9.501 -23.600 -7.766 83 HA3 GLY 13 2HA GLY 13 10.942 -24.529 -7.293 84 H ARG 14 HN ARG 14 9.053 -22.065 -5.521 85 HA ARG 14 HA ARG 14 8.779 -24.027 -3.313 86 HB2 ARG 14 2HB ARG 14 8.160 -22.017 -1.962 87 HB3 ARG 14 3HB ARG 14 9.807 -21.973 -2.634 88 HG2 ARG 14 2HG ARG 14 9.114 -20.436 -4.360 89 HG3 ARG 14 3HG ARG 14 7.416 -20.561 -3.841 90 HD2 ARG 14 2HD ARG 14 8.499 -18.492 -3.038 91 HD3 ARG 14 3HD ARG 14 7.955 -19.535 -1.707 92 HE ARG 14 HE ARG 14 10.435 -20.322 -1.728 93 HH11 ARG 14 2HH1 ARG 14 9.366 -17.080 -2.589 94 HH12 ARG 14 1HH1 ARG 14 10.812 -16.304 -1.984 95 HH21 ARG 14 2HH2 ARG 14 12.305 -19.287 -0.896 96 HH22 ARG 14 1HH2 ARG 14 12.473 -17.552 -1.027 97 H GLU 15 HN GLU 15 6.796 -24.369 -2.283 98 HA GLU 15 HA GLU 15 4.555 -24.355 -4.168 99 HB2 GLU 15 2HB GLU 15 5.276 -26.307 -2.718 100 HB3 GLU 15 3HB GLU 15 4.667 -25.391 -1.318 101 HG2 GLU 15 2HG GLU 15 2.421 -25.354 -2.396 102 HG3 GLU 15 3HG GLU 15 3.063 -26.404 -3.677 103 HE2 GLU 15 2HE GLU 15 2.710 -28.022 -0.050 104 H ASN 16 HN ASN 16 2.305 -24.071 -2.821 105 HA ASN 16 HA ASN 16 2.375 -21.732 -1.055 106 HB2 ASN 16 2HB ASN 16 2.454 -20.734 -3.325 107 HB3 ASN 16 3HB ASN 16 0.984 -21.633 -3.760 108 HD21 ASN 16 1HD2 ASN 16 -1.030 -21.006 -2.901 109 HD22 ASN 16 2HD2 ASN 16 -1.258 -19.442 -2.146 110 H LEU 17 HN LEU 17 1.070 -22.403 0.545 111 HA LEU 17 HA LEU 17 -1.106 -24.255 0.093 112 HB2 LEU 17 2HB LEU 17 -0.393 -22.510 2.466 113 HB3 LEU 17 3HB LEU 17 -1.682 -23.739 2.460 114 HG LEU 17 HG LEU 17 1.279 -24.257 2.071 115 HD11 LEU 17 1HD1 LEU 17 1.150 -25.347 4.276 116 HD12 LEU 17 2HD1 LEU 17 0.714 -23.626 4.375 117 HD13 LEU 17 3HD1 LEU 17 -0.559 -24.869 4.410 118 HD21 LEU 17 3HD2 LEU 17 -0.127 -25.830 0.818 119 HD22 LEU 17 1HD2 LEU 17 0.658 -26.637 2.195 120 HD23 LEU 17 2HD2 LEU 17 -1.059 -26.181 2.293 121 H TYR 18 HN TYR 18 -3.359 -23.845 0.196 122 HA TYR 18 HA TYR 18 -4.041 -20.997 -0.356 123 HB2 TYR 18 2HB TYR 18 -3.717 -22.691 -2.369 124 HB3 TYR 18 3HB TYR 18 -5.336 -23.230 -1.894 125 HD1 TYR 18 2HD TYR 18 -3.371 -20.453 -3.290 126 HD2 TYR 18 1HD TYR 18 -7.279 -21.781 -2.237 127 HE1 TYR 18 2HE TYR 18 -4.343 -18.614 -4.593 128 HE2 TYR 18 1HE TYR 18 -8.254 -19.946 -3.547 129 HH TYR 18 HH TYR 18 -6.238 -17.593 -5.304 130 H PHE 19 HN PHE 19 -6.017 -20.302 0.291 131 HA PHE 19 HA PHE 19 -8.042 -20.241 1.309 132 HB2 PHE 19 2HB PHE 19 -8.534 -22.016 -0.426 133 HB3 PHE 19 3HB PHE 19 -8.243 -23.227 0.834 134 HD1 PHE 19 2HD PHE 19 -10.282 -20.134 0.262 135 HD2 PHE 19 1HD PHE 19 -10.066 -24.010 2.020 136 HE1 PHE 19 2HE PHE 19 -12.622 -19.938 0.985 137 HE2 PHE 19 1HE PHE 19 -12.405 -23.814 2.740 138 HZ PHE 19 HZ PHE 19 -13.687 -21.780 2.221 139 H GLN 20 HN GLN 20 -8.131 -23.481 2.487 140 HA GLN 20 HA GLN 20 -8.350 -24.241 4.625 141 HB2 GLN 20 2HB GLN 20 -5.828 -22.596 4.875 142 HB3 GLN 20 3HB GLN 20 -6.470 -23.580 6.213 143 HG2 GLN 20 2HG GLN 20 -6.423 -25.532 4.551 144 HG3 GLN 20 3HG GLN 20 -5.402 -24.484 3.544 145 HE21 GLN 20 1HE2 GLN 20 -5.659 -26.267 6.572 146 HE22 GLN 20 2HE2 GLN 20 -3.956 -26.227 6.974 147 H GLY 21 HN GLY 21 -9.767 -21.735 3.931 148 HA2 GLY 21 1HA GLY 21 -11.166 -21.195 6.174 149 HA3 GLY 21 2HA GLY 21 -9.729 -20.174 6.403 150 H HIS 22 HN HIS 22 -12.752 -19.770 5.730 151 HA HIS 22 HA HIS 22 -12.297 -17.983 3.381 152 HB2 HIS 22 2HB HIS 22 -13.955 -19.845 3.100 153 HB3 HIS 22 3HB HIS 22 -14.918 -19.126 4.404 154 HD1 HIS 22 1HD HIS 22 -16.936 -18.269 3.223 155 HD2 HIS 22 2HD HIS 22 -13.392 -17.195 1.289 156 HE1 HIS 22 1HE HIS 22 -17.602 -16.704 1.344 157 HE2 HIS 22 2HE HIS 22 -15.445 -16.056 0.175 158 H MET 23 HN MET 23 -11.876 -17.618 6.411 159 HA MET 23 HA MET 23 -13.472 -15.106 6.561 160 HB2 MET 23 2HB MET 23 -14.315 -16.754 8.174 161 HB3 MET 23 3HB MET 23 -12.680 -16.926 8.855 162 HG2 MET 23 2HG MET 23 -12.715 -14.587 9.565 163 HG3 MET 23 3HG MET 23 -14.324 -14.381 8.853 164 HE1 MET 23 3HE MET 23 -15.156 -13.400 11.203 165 HE2 MET 23 1HE MET 23 -14.982 -14.260 12.749 166 HE3 MET 23 2HE MET 23 -13.539 -13.666 11.897 167 H ALA 24 HN ALA 24 -11.882 -13.782 5.752 168 HA ALA 24 HA ALA 24 -9.783 -13.089 7.630 169 HB1 ALA 24 1HB ALA 24 -7.901 -13.417 6.070 170 HB2 ALA 24 2HB ALA 24 -8.696 -14.959 6.461 171 HB3 ALA 24 3HB ALA 24 -9.007 -14.168 4.897 172 H ALA 25 HN ALA 25 -9.009 -11.045 7.352 173 HA ALA 25 HA ALA 25 -8.808 -8.929 6.565 174 HB1 ALA 25 1HB ALA 25 -8.847 -8.509 4.142 175 HB2 ALA 25 2HB ALA 25 -7.913 -9.970 4.537 176 HB3 ALA 25 3HB ALA 25 -9.560 -10.116 3.878 177 H ARG 26 HN ARG 26 -9.989 -7.089 5.417 178 HA ARG 26 HA ARG 26 -11.810 -5.738 5.279 179 HB2 ARG 26 2HB ARG 26 -13.153 -8.372 4.636 180 HB3 ARG 26 3HB ARG 26 -13.986 -6.801 4.560 181 HG2 ARG 26 2HG ARG 26 -12.363 -6.022 2.889 182 HG3 ARG 26 3HG ARG 26 -11.533 -7.594 2.963 183 HD2 ARG 26 2HD ARG 26 -13.059 -7.405 1.022 184 HD3 ARG 26 3HD ARG 26 -13.504 -8.726 2.123 185 HE ARG 26 HE ARG 26 -15.118 -6.866 3.070 186 HH11 ARG 26 2HH1 ARG 26 -14.266 -7.417 -0.304 187 HH12 ARG 26 1HH1 ARG 26 -15.817 -6.889 -0.912 188 HH21 ARG 26 2HH2 ARG 26 -17.151 -6.209 2.259 189 HH22 ARG 26 1HH2 ARG 26 -17.445 -6.206 0.535 190 H ILE 27 HN ILE 27 -11.017 -6.883 7.865 191 HA ILE 27 HA ILE 27 -13.588 -6.923 9.313 192 HB ILE 27 HB ILE 27 -12.159 -7.276 11.334 193 HG12 ILE 27 2HG1 ILE 27 -9.888 -7.369 9.325 194 HG13 ILE 27 3HG1 ILE 27 -10.169 -6.074 10.512 195 HG21 ILE 27 1HG2 ILE 27 -11.472 -9.568 10.759 196 HG22 ILE 27 2HG2 ILE 27 -13.066 -9.179 10.074 197 HG23 ILE 27 3HG2 ILE 27 -11.625 -9.181 9.030 198 HD11 ILE 27 3HD1 ILE 27 -9.562 -8.970 11.149 199 HD12 ILE 27 1HD1 ILE 27 -8.416 -7.619 11.277 200 HD13 ILE 27 2HD1 ILE 27 -9.841 -7.673 12.336 201 H THR 28 HN THR 28 -11.054 -4.809 8.372 202 HA THR 28 HA THR 28 -12.511 -2.563 9.556 203 HB THR 28 HB THR 28 -9.557 -3.007 10.167 204 HG1 THR 28 1HG THR 28 -10.336 -3.020 12.345 205 HG21 THR 28 3HG2 THR 28 -11.410 -0.710 10.896 206 HG22 THR 28 1HG2 THR 28 -9.723 -0.893 11.430 207 HG23 THR 28 2HG2 THR 28 -10.087 -0.647 9.707 208 H GLY 29 HN GLY 29 -12.687 -1.076 7.977 209 HA2 GLY 29 1HA GLY 29 -10.959 0.251 6.516 210 HA3 GLY 29 2HA GLY 29 -10.821 -1.324 5.701 211 H GLU 30 HN GLU 30 -12.413 1.619 5.805 212 HA GLU 30 HA GLU 30 -14.688 0.585 4.199 213 HB2 GLU 30 2HB GLU 30 -14.278 3.262 5.559 214 HB3 GLU 30 3HB GLU 30 -15.681 2.826 4.554 215 HG2 GLU 30 2HG GLU 30 -16.207 0.992 6.124 216 HG3 GLU 30 3HG GLU 30 -14.837 1.489 7.141 217 HE2 GLU 30 2HE GLU 30 -16.658 4.050 8.561 218 HA PRO 31 HA PRO 31 -11.636 0.945 0.933 219 HB2 PRO 31 2HB PRO 31 -14.276 1.493 -0.487 220 HB3 PRO 31 3HB PRO 31 -12.895 0.453 -0.966 221 HG2 PRO 31 2HG PRO 31 -15.160 -0.420 0.326 222 HG3 PRO 31 3HG PRO 31 -13.600 -1.303 0.260 223 HD2 PRO 31 2HD PRO 31 -14.922 -0.181 2.554 224 HD3 PRO 31 3HD PRO 31 -13.278 -0.888 2.486 225 H SER 32 HN SER 32 -10.707 2.877 1.756 226 HA SER 32 HA SER 32 -11.034 5.024 -0.225 227 HB2 SER 32 2HB SER 32 -11.162 5.517 2.777 228 HB3 SER 32 3HB SER 32 -10.938 6.783 1.546 229 HG SER 32 HG SER 32 -13.134 6.549 2.190 230 H LYS 33 HN LYS 33 -9.165 2.795 0.634 231 HA LYS 33 HA LYS 33 -6.856 4.376 1.622 232 HB2 LYS 33 2HB LYS 33 -5.896 2.339 2.353 233 HB3 LYS 33 3HB LYS 33 -7.614 2.265 2.813 234 HG2 LYS 33 2HG LYS 33 -8.065 0.844 0.852 235 HG3 LYS 33 3HG LYS 33 -6.337 0.899 0.426 236 HD2 LYS 33 2HD LYS 33 -5.847 -0.083 2.701 237 HD3 LYS 33 3HD LYS 33 -7.599 -0.321 2.899 238 HE2 LYS 33 2HE LYS 33 -6.672 -2.388 2.116 239 HE3 LYS 33 3HE LYS 33 -7.577 -1.661 0.771 240 HZ1 LYS 33 3HZ LYS 33 -4.657 -1.532 1.140 241 HZ2 LYS 33 1HZ LYS 33 -5.448 -2.497 0.062 242 HZ3 LYS 33 2HZ LYS 33 -5.498 -0.858 -0.110 243 H LYS 34 HN LYS 34 -4.762 4.074 0.655 244 HA LYS 34 HA LYS 34 -4.770 2.859 -2.050 245 HB2 LYS 34 2HB LYS 34 -5.201 5.340 -2.212 246 HB3 LYS 34 3HB LYS 34 -3.605 5.599 -1.468 247 HG2 LYS 34 2HG LYS 34 -2.509 4.526 -3.340 248 HG3 LYS 34 3HG LYS 34 -4.081 4.109 -4.063 249 HD2 LYS 34 2HD LYS 34 -3.161 6.945 -3.519 250 HD3 LYS 34 3HD LYS 34 -2.954 6.111 -5.077 251 HE2 LYS 34 2HE LYS 34 -5.610 6.596 -3.693 252 HE3 LYS 34 3HE LYS 34 -4.954 7.579 -5.020 253 HZ1 LYS 34 3HZ LYS 34 -5.611 4.711 -5.175 254 HZ2 LYS 34 1HZ LYS 34 -6.508 5.936 -5.815 255 HZ3 LYS 34 2HZ LYS 34 -5.002 5.625 -6.407 256 H ALA 35 HN ALA 35 -3.694 2.558 0.873 257 HA ALA 35 HA ALA 35 -0.808 2.471 0.325 258 HB1 ALA 35 1HB ALA 35 -0.621 1.768 2.679 259 HB2 ALA 35 2HB ALA 35 -1.591 3.251 2.520 260 HB3 ALA 35 3HB ALA 35 -2.394 1.686 2.793 261 H VAL 36 HN VAL 36 0.446 0.532 0.598 262 HA VAL 36 HA VAL 36 -0.842 -1.757 -0.649 263 HB VAL 36 HB VAL 36 1.980 -1.547 0.458 264 HG11 VAL 36 1HG1 VAL 36 2.477 -3.331 -1.159 265 HG12 VAL 36 2HG1 VAL 36 1.220 -3.829 -0.003 266 HG13 VAL 36 3HG1 VAL 36 0.770 -3.353 -1.657 267 HG21 VAL 36 3HG2 VAL 36 1.563 0.269 -1.134 268 HG22 VAL 36 1HG2 VAL 36 2.676 -0.936 -1.821 269 HG23 VAL 36 2HG2 VAL 36 0.973 -0.907 -2.333 270 H SER 37 HN SER 37 -1.693 -3.455 0.355 271 HA SER 37 HA SER 37 -1.229 -3.659 3.297 272 HB2 SER 37 2HB SER 37 -3.680 -4.592 1.767 273 HB3 SER 37 3HB SER 37 -3.499 -4.372 3.524 274 HG SER 37 HG SER 37 -4.625 -2.635 2.520 275 H ASP 38 HN ASP 38 -1.292 -5.801 4.234 276 HA ASP 38 HA ASP 38 0.002 -7.816 2.613 277 HB2 ASP 38 2HB ASP 38 -1.257 -8.002 5.373 278 HB3 ASP 38 3HB ASP 38 -0.247 -9.253 4.617 279 HD2 ASP 38 2HD ASP 38 2.661 -7.546 5.379 280 H ARG 39 HN ARG 39 -3.092 -6.746 2.655 281 HA ARG 39 HA ARG 39 -4.462 -9.314 2.508 282 HB2 ARG 39 2HB ARG 39 -5.277 -6.428 2.183 283 HB3 ARG 39 3HB ARG 39 -6.369 -7.750 1.703 284 HG2 ARG 39 2HG ARG 39 -6.942 -7.061 3.927 285 HG3 ARG 39 3HG ARG 39 -6.180 -8.667 4.015 286 HD2 ARG 39 2HD ARG 39 -3.989 -7.212 4.394 287 HD3 ARG 39 3HD ARG 39 -5.172 -6.009 4.954 288 HE ARG 39 HE ARG 39 -5.342 -8.736 6.069 289 HH11 ARG 39 2HH1 ARG 39 -4.485 -5.343 6.505 290 HH12 ARG 39 1HH1 ARG 39 -4.356 -5.472 8.244 291 HH21 ARG 39 2HH2 ARG 39 -5.134 -8.893 8.333 292 HH22 ARG 39 1HH2 ARG 39 -4.723 -7.478 9.277 293 H LEU 40 HN LEU 40 -2.304 -7.973 0.535 294 HA LEU 40 HA LEU 40 -3.664 -8.817 -1.955 295 HB2 LEU 40 2HB LEU 40 -0.872 -7.737 -1.458 296 HB3 LEU 40 3HB LEU 40 -1.603 -8.062 -3.048 297 HG LEU 40 HG LEU 40 -2.563 -5.989 -1.055 298 HD11 LEU 40 1HD1 LEU 40 -1.659 -4.350 -2.658 299 HD12 LEU 40 2HD1 LEU 40 -0.382 -5.415 -2.030 300 HD13 LEU 40 3HD1 LEU 40 -1.037 -5.679 -3.664 301 HD21 LEU 40 3HD2 LEU 40 -4.361 -6.892 -2.464 302 HD22 LEU 40 1HD2 LEU 40 -3.986 -5.212 -2.910 303 HD23 LEU 40 2HD2 LEU 40 -3.398 -6.552 -3.921 304 H ILE 41 HN ILE 41 -1.547 -9.881 0.552 305 HA ILE 41 HA ILE 41 -0.106 -11.855 -0.983 306 HB ILE 41 HB ILE 41 -0.476 -11.620 2.031 307 HG12 ILE 41 2HG1 ILE 41 0.463 -9.571 1.100 308 HG13 ILE 41 3HG1 ILE 41 1.688 -10.466 2.031 309 HG21 ILE 41 1HG2 ILE 41 1.599 -12.936 2.171 310 HG22 ILE 41 2HG2 ILE 41 0.318 -13.829 1.319 311 HG23 ILE 41 3HG2 ILE 41 1.635 -13.064 0.398 312 HD11 ILE 41 3HD1 ILE 41 1.429 -10.421 -0.987 313 HD12 ILE 41 1HD1 ILE 41 2.643 -9.538 -0.039 314 HD13 ILE 41 2HD1 ILE 41 2.655 -11.314 -0.055 315 H GLY 42 HN GLY 42 -0.650 -13.868 -1.486 316 HA2 GLY 42 1HA GLY 42 -1.552 -15.980 -1.141 317 HA3 GLY 42 2HA GLY 42 -2.437 -15.364 0.274 318 H ARG 43 HN ARG 43 -2.828 -13.376 -2.466 319 HA ARG 43 HA ARG 43 -5.405 -14.751 -3.062 320 HB2 ARG 43 2HB ARG 43 -4.726 -11.799 -3.069 321 HB3 ARG 43 3HB ARG 43 -6.241 -12.486 -3.701 322 HG2 ARG 43 2HG ARG 43 -6.822 -13.330 -1.509 323 HG3 ARG 43 3HG ARG 43 -5.261 -12.784 -0.851 324 HD2 ARG 43 2HD ARG 43 -6.986 -11.216 -0.230 325 HD3 ARG 43 3HD ARG 43 -5.881 -10.453 -1.394 326 HE ARG 43 HE ARG 43 -8.215 -11.647 -2.639 327 HH11 ARG 43 2HH1 ARG 43 -6.868 -8.775 -1.100 328 HH12 ARG 43 1HH1 ARG 43 -8.058 -7.694 -1.790 329 HH21 ARG 43 2HH2 ARG 43 -9.784 -10.245 -3.500 330 HH22 ARG 43 1HH2 ARG 43 -9.716 -8.531 -3.155 331 H LYS 44 HN LYS 44 -6.223 -14.429 -5.259 332 HA LYS 44 HA LYS 44 -3.972 -14.734 -7.119 333 HB2 LYS 44 2HB LYS 44 -6.762 -15.653 -6.931 334 HB3 LYS 44 3HB LYS 44 -6.250 -15.173 -8.567 335 HG2 LYS 44 2HG LYS 44 -4.163 -16.684 -7.992 336 HG3 LYS 44 3HG LYS 44 -5.302 -17.423 -6.841 337 HD2 LYS 44 2HD LYS 44 -5.693 -17.119 -9.837 338 HD3 LYS 44 3HD LYS 44 -5.337 -18.627 -8.962 339 HE2 LYS 44 2HE LYS 44 -7.472 -18.505 -7.808 340 HE3 LYS 44 3HE LYS 44 -7.820 -16.930 -8.555 341 HZ1 LYS 44 3HZ LYS 44 -7.502 -19.479 -10.001 342 HZ2 LYS 44 1HZ LYS 44 -8.934 -18.721 -9.697 343 HZ3 LYS 44 2HZ LYS 44 -7.825 -18.018 -10.694 344 H GLY 45 HN GLY 45 -3.844 -13.696 -9.087 345 HA2 GLY 45 1HA GLY 45 -5.655 -11.411 -9.544 346 HA3 GLY 45 2HA GLY 45 -3.902 -11.122 -9.475 347 H VAL 46 HN VAL 46 -4.839 -10.370 -11.750 348 HA VAL 46 HA VAL 46 -4.294 -12.638 -13.601 349 HB VAL 46 HB VAL 46 -6.659 -11.955 -13.727 350 HG11 VAL 46 1HG1 VAL 46 -7.307 -9.720 -14.519 351 HG12 VAL 46 2HG1 VAL 46 -6.437 -9.640 -12.969 352 HG13 VAL 46 3HG1 VAL 46 -5.602 -9.215 -14.483 353 HG21 VAL 46 3HG2 VAL 46 -5.545 -12.753 -15.750 354 HG22 VAL 46 1HG2 VAL 46 -6.783 -11.540 -16.144 355 HG23 VAL 46 2HG2 VAL 46 -5.064 -11.087 -16.152 356 H VAL 47 HN VAL 47 -2.934 -12.230 -15.340 357 HA VAL 47 HA VAL 47 -1.166 -9.945 -14.911 358 HB VAL 47 HB VAL 47 -1.021 -12.079 -17.065 359 HG11 VAL 47 1HG1 VAL 47 1.359 -11.474 -17.155 360 HG12 VAL 47 2HG1 VAL 47 0.316 -10.079 -17.513 361 HG13 VAL 47 3HG1 VAL 47 1.087 -10.228 -15.915 362 HG21 VAL 47 3HG2 VAL 47 -1.039 -13.118 -14.849 363 HG22 VAL 47 1HG2 VAL 47 0.568 -13.249 -15.599 364 HG23 VAL 47 2HG2 VAL 47 0.279 -12.042 -14.326 365 H MET 48 HN MET 48 -1.583 -8.048 -15.755 366 HA MET 48 HA MET 48 -3.350 -7.846 -18.103 367 HB2 MET 48 2HB MET 48 -2.114 -5.677 -16.375 368 HB3 MET 48 3HB MET 48 -3.384 -5.461 -17.602 369 HG2 MET 48 2HG MET 48 -3.631 -7.030 -15.021 370 HG3 MET 48 3HG MET 48 -4.310 -5.426 -15.340 371 HE1 MET 48 3HE MET 48 -5.292 -5.736 -18.371 372 HE2 MET 48 1HE MET 48 -6.986 -6.217 -18.124 373 HE3 MET 48 2HE MET 48 -6.261 -4.962 -17.095 374 H GLU 49 HN GLU 49 -0.004 -7.276 -17.102 375 HA GLU 49 HA GLU 49 0.650 -6.809 -19.967 376 HB2 GLU 49 2HB GLU 49 0.708 -4.687 -18.602 377 HB3 GLU 49 3HB GLU 49 2.014 -5.423 -17.644 378 HG2 GLU 49 2HG GLU 49 2.883 -3.915 -19.370 379 HG3 GLU 49 3HG GLU 49 3.409 -5.592 -19.630 380 HE2 GLU 49 2HE GLU 49 1.721 -5.793 -22.643 381 H ALA 50 HN ALA 50 2.544 -7.750 -20.687 382 HA ALA 50 HA ALA 50 3.203 -10.214 -19.536 383 HB1 ALA 50 1HB ALA 50 5.070 -10.256 -21.141 384 HB2 ALA 50 2HB ALA 50 3.581 -9.641 -21.894 385 HB3 ALA 50 3HB ALA 50 4.870 -8.510 -21.416 386 H ILE 51 HN ILE 51 4.672 -10.963 -18.135 387 HA ILE 51 HA ILE 51 6.338 -8.917 -16.757 388 HB ILE 51 HB ILE 51 5.334 -11.615 -15.749 389 HG12 ILE 51 2HG1 ILE 51 4.546 -8.863 -14.772 390 HG13 ILE 51 3HG1 ILE 51 3.634 -9.740 -16.024 391 HG21 ILE 51 1HG2 ILE 51 6.235 -10.899 -13.571 392 HG22 ILE 51 2HG2 ILE 51 7.515 -10.991 -14.803 393 HG23 ILE 51 3HG2 ILE 51 6.858 -9.410 -14.318 394 HD11 ILE 51 3HD1 ILE 51 4.149 -10.697 -13.197 395 HD12 ILE 51 1HD1 ILE 51 2.615 -10.039 -13.806 396 HD13 ILE 51 2HD1 ILE 51 3.235 -11.574 -14.449 397 H SER 52 HN SER 52 8.518 -9.097 -16.898 398 HA SER 52 HA SER 52 9.576 -11.791 -17.596 399 HB2 SER 52 2HB SER 52 11.510 -10.513 -18.653 400 HB3 SER 52 3HB SER 52 9.959 -10.463 -19.526 401 HG SER 52 HG SER 52 10.958 -8.397 -19.369 402 HA PRO 53 HA PRO 53 12.140 -11.622 -14.007 403 HB2 PRO 53 2HB PRO 53 14.540 -12.261 -15.686 404 HB3 PRO 53 3HB PRO 53 13.769 -13.184 -14.355 405 HG2 PRO 53 2HG PRO 53 13.598 -13.908 -16.937 406 HG3 PRO 53 3HG PRO 53 12.335 -14.294 -15.722 407 HD2 PRO 53 2HD PRO 53 12.383 -12.256 -17.925 408 HD3 PRO 53 3HD PRO 53 11.000 -13.134 -17.204 409 H GLN 54 HN GLN 54 12.885 -9.753 -16.844 410 HA GLN 54 HA GLN 54 14.915 -8.195 -15.358 411 HB2 GLN 54 2HB GLN 54 14.143 -8.237 -18.288 412 HB3 GLN 54 3HB GLN 54 15.364 -7.153 -17.579 413 HG2 GLN 54 2HG GLN 54 16.627 -9.157 -16.821 414 HG3 GLN 54 3HG GLN 54 15.446 -10.179 -17.669 415 HE21 GLN 54 1HE2 GLN 54 15.432 -10.263 -19.926 416 HE22 GLN 54 2HE2 GLN 54 16.765 -9.648 -20.883 417 H ASN 55 HN ASN 55 11.976 -7.635 -17.382 418 HA ASN 55 HA ASN 55 11.778 -4.978 -16.041 419 HB2 ASN 55 2HB ASN 55 12.053 -5.051 -18.566 420 HB3 ASN 55 3HB ASN 55 10.450 -5.813 -18.638 421 HD21 ASN 55 1HD2 ASN 55 8.587 -4.599 -18.046 422 HD22 ASN 55 2HD2 ASN 55 8.626 -2.848 -17.986 423 H SER 56 HN SER 56 9.959 -4.439 -14.940 424 HA SER 56 HA SER 56 8.379 -6.582 -13.935 425 HB2 SER 56 2HB SER 56 7.574 -3.670 -13.806 426 HB3 SER 56 3HB SER 56 7.341 -4.952 -12.592 427 HG SER 56 HG SER 56 9.047 -3.505 -12.045 428 H GLY 57 HN GLY 57 6.139 -6.978 -14.121 429 HA2 GLY 57 1HA GLY 57 4.911 -5.876 -16.603 430 HA3 GLY 57 2HA GLY 57 4.538 -7.468 -15.905 431 H LEU 58 HN LEU 58 2.275 -6.489 -16.115 432 HA LEU 58 HA LEU 58 1.718 -5.047 -13.571 433 HB2 LEU 58 2HB LEU 58 0.585 -4.528 -16.319 434 HB3 LEU 58 3HB LEU 58 -0.271 -4.043 -14.836 435 HG LEU 58 HG LEU 58 1.934 -2.817 -14.255 436 HD11 LEU 58 1HD1 LEU 58 3.196 -1.999 -16.199 437 HD12 LEU 58 2HD1 LEU 58 3.302 -3.767 -16.045 438 HD13 LEU 58 3HD1 LEU 58 2.225 -3.042 -17.263 439 HD21 LEU 58 3HD2 LEU 58 -0.205 -1.732 -14.730 440 HD22 LEU 58 1HD2 LEU 58 1.143 -0.811 -15.434 441 HD23 LEU 58 2HD2 LEU 58 0.124 -1.829 -16.476 442 H VAL 59 HN VAL 59 0.141 -5.857 -12.336 443 HA VAL 59 HA VAL 59 -1.632 -7.917 -13.540 444 HB VAL 59 HB VAL 59 -1.538 -9.162 -11.371 445 HG11 VAL 59 1HG1 VAL 59 0.624 -10.252 -11.794 446 HG12 VAL 59 2HG1 VAL 59 -0.241 -9.907 -13.310 447 HG13 VAL 59 3HG1 VAL 59 1.119 -8.875 -12.804 448 HG21 VAL 59 3HG2 VAL 59 -0.744 -7.339 -9.933 449 HG22 VAL 59 1HG2 VAL 59 0.331 -8.751 -9.819 450 HG23 VAL 59 2HG2 VAL 59 0.819 -7.340 -10.784 451 H LYS 60 HN LYS 60 -3.735 -8.076 -12.590 452 HA LYS 60 HA LYS 60 -4.440 -5.623 -11.059 453 HB2 LYS 60 2HB LYS 60 -5.527 -6.177 -13.320 454 HB3 LYS 60 3HB LYS 60 -6.380 -7.474 -12.448 455 HG2 LYS 60 2HG LYS 60 -7.509 -5.917 -11.049 456 HG3 LYS 60 3HG LYS 60 -6.473 -4.574 -11.591 457 HD2 LYS 60 2HD LYS 60 -8.499 -4.277 -12.750 458 HD3 LYS 60 3HD LYS 60 -7.400 -5.023 -13.935 459 HE2 LYS 60 2HE LYS 60 -9.495 -6.127 -14.159 460 HE3 LYS 60 3HE LYS 60 -8.414 -7.253 -13.310 461 HZ1 LYS 60 3HZ LYS 60 -10.446 -5.541 -12.039 462 HZ2 LYS 60 1HZ LYS 60 -10.581 -7.163 -12.293 463 HZ3 LYS 60 2HZ LYS 60 -9.443 -6.586 -11.251 464 H VAL 61 HN VAL 61 -4.522 -5.925 -8.947 465 HA VAL 61 HA VAL 61 -5.680 -8.468 -7.935 466 HB VAL 61 HB VAL 61 -3.252 -7.051 -6.766 467 HG11 VAL 61 1HG1 VAL 61 -3.115 -8.995 -5.262 468 HG12 VAL 61 2HG1 VAL 61 -4.661 -8.136 -5.077 469 HG13 VAL 61 3HG1 VAL 61 -4.594 -9.661 -5.991 470 HG21 VAL 61 3HG2 VAL 61 -2.691 -8.190 -8.861 471 HG22 VAL 61 1HG2 VAL 61 -1.966 -9.026 -7.469 472 HG23 VAL 61 2HG2 VAL 61 -3.420 -9.693 -8.247 473 H ASP 62 HN ASP 62 -7.221 -8.197 -6.451 474 HA ASP 62 HA ASP 62 -8.516 -7.275 -4.802 475 HB2 ASP 62 2HB ASP 62 -6.353 -6.695 -3.703 476 HB3 ASP 62 3HB ASP 62 -6.376 -5.132 -4.549 477 HD2 ASP 62 2HD ASP 62 -8.976 -5.654 -1.574 478 H GLY 63 HN GLY 63 -7.834 -5.936 -7.725 479 HA2 GLY 63 1HA GLY 63 -9.767 -4.852 -8.809 480 HA3 GLY 63 2HA GLY 63 -9.920 -3.841 -7.354 481 H GLU 64 HN GLU 64 -6.839 -3.834 -7.302 482 HA GLU 64 HA GLU 64 -6.626 -1.467 -9.076 483 HB2 GLU 64 2HB GLU 64 -4.975 -2.429 -6.717 484 HB3 GLU 64 3HB GLU 64 -4.569 -1.008 -7.709 485 HG2 GLU 64 2HG GLU 64 -7.123 -1.348 -6.119 486 HG3 GLU 64 3HG GLU 64 -5.695 -0.439 -5.580 487 HE2 GLU 64 2HE GLU 64 -8.167 1.249 -8.137 488 H THR 65 HN THR 65 -4.718 -1.148 -10.366 489 HA THR 65 HA THR 65 -3.497 -3.705 -11.212 490 HB THR 65 HB THR 65 -3.172 -0.972 -12.494 491 HG1 THR 65 1HG THR 65 -4.824 -1.724 -13.933 492 HG21 THR 65 3HG2 THR 65 -2.789 -3.795 -13.555 493 HG22 THR 65 1HG2 THR 65 -2.565 -2.298 -14.488 494 HG23 THR 65 2HG2 THR 65 -1.490 -2.660 -13.119 495 H TRP 66 HN TRP 66 -1.570 -4.268 -10.508 496 HA TRP 66 HA TRP 66 0.181 -2.148 -9.349 497 HB2 TRP 66 2HB TRP 66 0.034 -5.076 -8.545 498 HB3 TRP 66 3HB TRP 66 0.998 -3.809 -7.775 499 HD1 TRP 66 1HD TRP 66 -2.648 -5.031 -8.077 500 HE1 TRP 66 1HE TRP 66 -4.028 -4.074 -6.152 501 HE3 TRP 66 3HE TRP 66 0.884 -1.895 -6.135 502 HZ2 TRP 66 2HZ TRP 66 -3.640 -2.193 -4.062 503 HZ3 TRP 66 3HZ TRP 66 0.304 -0.540 -4.164 504 HH2 TRP 66 2HH TRP 66 -1.928 -0.694 -3.136 505 H ARG 67 HN ARG 67 2.525 -2.661 -9.447 506 HA ARG 67 HA ARG 67 3.228 -3.924 -11.986 507 HB2 ARG 67 2HB ARG 67 4.871 -2.634 -9.792 508 HB3 ARG 67 3HB ARG 67 5.586 -3.403 -11.229 509 HG2 ARG 67 2HG ARG 67 5.519 -1.048 -11.609 510 HG3 ARG 67 3HG ARG 67 4.282 -1.803 -12.643 511 HD2 ARG 67 2HD ARG 67 2.525 -1.119 -11.182 512 HD3 ARG 67 3HD ARG 67 3.678 -0.613 -9.929 513 HE ARG 67 HE ARG 67 4.133 0.830 -12.357 514 HH11 ARG 67 2HH1 ARG 67 1.963 0.608 -9.595 515 HH12 ARG 67 1HH1 ARG 67 1.465 2.282 -9.693 516 HH21 ARG 67 2HH2 ARG 67 3.470 3.005 -12.486 517 HH22 ARG 67 1HH2 ARG 67 2.319 3.641 -11.332 518 H ALA 68 HN ALA 68 4.578 -5.776 -12.192 519 HA ALA 68 HA ALA 68 4.754 -7.417 -9.727 520 HB1 ALA 68 1HB ALA 68 3.895 -9.373 -10.945 521 HB2 ALA 68 2HB ALA 68 2.694 -8.063 -10.888 522 HB3 ALA 68 3HB ALA 68 3.621 -8.358 -12.379 523 H THR 69 HN THR 69 6.471 -8.726 -9.563 524 HA THR 69 HA THR 69 8.297 -8.876 -11.906 525 HB THR 69 HB THR 69 10.157 -8.954 -10.127 526 HG1 THR 69 1HG THR 69 9.587 -7.856 -8.174 527 HG21 THR 69 3HG2 THR 69 8.613 -6.365 -10.504 528 HG22 THR 69 1HG2 THR 69 10.317 -6.495 -10.009 529 HG23 THR 69 2HG2 THR 69 9.819 -7.036 -11.628 530 H SER 70 HN SER 70 9.117 -10.860 -12.366 531 HA SER 70 HA SER 70 8.682 -13.033 -10.394 532 HB2 SER 70 2HB SER 70 7.826 -13.158 -13.311 533 HB3 SER 70 3HB SER 70 7.693 -14.467 -12.112 534 HG SER 70 HG SER 70 5.726 -13.306 -12.385 535 H GLY 71 HN GLY 71 9.918 -15.013 -10.936 536 HA2 GLY 71 1HA GLY 71 12.536 -14.256 -12.004 537 HA3 GLY 71 2HA GLY 71 12.094 -15.798 -11.235 538 H THR 72 HN THR 72 9.693 -15.371 -13.349 539 HA THR 72 HA THR 72 11.182 -16.422 -15.694 540 HB THR 72 HB THR 72 8.504 -17.605 -15.001 541 HG1 THR 72 1HG THR 72 9.620 -19.220 -13.775 542 HG21 THR 72 3HG2 THR 72 11.027 -18.719 -16.285 543 HG22 THR 72 1HG2 THR 72 9.476 -19.575 -16.134 544 HG23 THR 72 2HG2 THR 72 9.593 -18.123 -17.153 545 H VAL 73 HN VAL 73 9.637 -16.437 -17.675 546 HA VAL 73 HA VAL 73 8.379 -13.797 -17.700 547 HB VAL 73 HB VAL 73 9.807 -14.360 -19.572 548 HG11 VAL 73 1HG1 VAL 73 9.269 -16.151 -21.164 549 HG12 VAL 73 2HG1 VAL 73 9.576 -16.793 -19.534 550 HG13 VAL 73 3HG1 VAL 73 7.907 -16.651 -20.136 551 HG21 VAL 73 3HG2 VAL 73 7.890 -12.901 -20.010 552 HG22 VAL 73 1HG2 VAL 73 8.282 -13.880 -21.442 553 HG23 VAL 73 2HG2 VAL 73 6.895 -14.319 -20.419 554 H LEU 74 HN LEU 74 6.315 -13.397 -17.452 555 HA LEU 74 HA LEU 74 4.400 -15.667 -17.720 556 HB2 LEU 74 2HB LEU 74 4.229 -13.172 -16.002 557 HB3 LEU 74 3HB LEU 74 2.965 -14.417 -16.148 558 HG LEU 74 HG LEU 74 5.743 -14.826 -15.008 559 HD11 LEU 74 1HD1 LEU 74 4.575 -15.077 -12.857 560 HD12 LEU 74 2HD1 LEU 74 4.306 -13.465 -13.559 561 HD13 LEU 74 3HD1 LEU 74 3.029 -14.703 -13.654 562 HD21 LEU 74 3HD2 LEU 74 4.863 -16.835 -16.114 563 HD22 LEU 74 1HD2 LEU 74 4.902 -17.045 -14.348 564 HD23 LEU 74 2HD2 LEU 74 3.360 -16.703 -15.169 565 H ASP 75 HN ASP 75 2.491 -15.342 -18.864 566 HA ASP 75 HA ASP 75 2.689 -13.045 -20.729 567 HB2 ASP 75 2HB ASP 75 2.495 -15.642 -21.329 568 HB3 ASP 75 3HB ASP 75 0.762 -15.285 -21.166 569 HD2 ASP 75 2HD ASP 75 2.602 -14.145 -24.404 570 H VAL 76 HN VAL 76 0.382 -12.545 -21.684 571 HA VAL 76 HA VAL 76 -0.977 -11.298 -19.420 572 HB VAL 76 HB VAL 76 -1.506 -11.072 -22.410 573 HG11 VAL 76 1HG1 VAL 76 -2.718 -9.010 -21.836 574 HG12 VAL 76 2HG1 VAL 76 -3.447 -10.433 -21.057 575 HG13 VAL 76 3HG1 VAL 76 -2.429 -9.323 -20.109 576 HG21 VAL 76 3HG2 VAL 76 0.751 -10.339 -21.801 577 HG22 VAL 76 1HG2 VAL 76 -0.267 -8.955 -22.266 578 HG23 VAL 76 2HG2 VAL 76 0.073 -9.273 -20.548 579 H GLY 77 HN GLY 77 -3.023 -11.677 -18.703 580 HA2 GLY 77 1HA GLY 77 -5.224 -12.538 -18.913 581 HA3 GLY 77 2HA GLY 77 -4.668 -13.621 -20.208 582 H GLU 78 HN GLU 78 -2.250 -14.070 -18.231 583 HA GLU 78 HA GLU 78 -3.292 -16.535 -17.200 584 HB2 GLU 78 2HB GLU 78 -0.702 -15.023 -16.891 585 HB3 GLU 78 3HB GLU 78 -1.018 -16.545 -16.025 586 HG2 GLU 78 2HG GLU 78 -0.963 -16.126 -19.014 587 HG3 GLU 78 3HG GLU 78 0.240 -16.986 -18.027 588 HE2 GLU 78 2HE GLU 78 -2.137 -19.626 -17.524 589 H GLU 79 HN GLU 79 -2.952 -17.198 -14.931 590 HA GLU 79 HA GLU 79 -3.917 -15.030 -13.138 591 HB2 GLU 79 2HB GLU 79 -4.300 -18.029 -12.939 592 HB3 GLU 79 3HB GLU 79 -4.844 -16.838 -11.734 593 HG2 GLU 79 2HG GLU 79 -6.135 -15.792 -13.728 594 HG3 GLU 79 3HG GLU 79 -5.893 -17.379 -14.490 595 HE2 GLU 79 2HE GLU 79 -8.624 -17.023 -11.713 596 H VAL 80 HN VAL 80 -2.666 -14.430 -11.507 597 HA VAL 80 HA VAL 80 -0.482 -16.295 -10.718 598 HB VAL 80 HB VAL 80 0.875 -14.287 -10.131 599 HG11 VAL 80 1HG1 VAL 80 1.500 -13.688 -12.432 600 HG12 VAL 80 2HG1 VAL 80 1.214 -15.436 -12.267 601 HG13 VAL 80 3HG1 VAL 80 -0.017 -14.399 -13.027 602 HG21 VAL 80 3HG2 VAL 80 -0.955 -12.685 -9.836 603 HG22 VAL 80 1HG2 VAL 80 0.235 -12.083 -11.012 604 HG23 VAL 80 2HG2 VAL 80 -1.309 -12.759 -11.579 605 H SER 81 HN SER 81 0.291 -16.019 -8.503 606 HA SER 81 HA SER 81 -1.751 -14.760 -6.739 607 HB2 SER 81 2HB SER 81 -0.146 -17.288 -6.236 608 HB3 SER 81 3HB SER 81 -1.203 -16.487 -5.049 609 HG SER 81 HG SER 81 -2.256 -18.193 -6.169 610 H VAL 82 HN VAL 82 -1.012 -13.491 -5.088 611 HA VAL 82 HA VAL 82 1.750 -12.587 -5.449 612 HB VAL 82 HB VAL 82 -0.391 -11.557 -3.553 613 HG11 VAL 82 1HG1 VAL 82 0.949 -9.498 -3.519 614 HG12 VAL 82 2HG1 VAL 82 1.883 -10.895 -2.939 615 HG13 VAL 82 3HG1 VAL 82 2.151 -10.265 -4.582 616 HG21 VAL 82 3HG2 VAL 82 -1.165 -11.447 -5.871 617 HG22 VAL 82 1HG2 VAL 82 -0.832 -9.820 -5.233 618 HG23 VAL 82 2HG2 VAL 82 0.327 -10.597 -6.336 619 H LYS 83 HN LYS 83 3.383 -13.416 -4.326 620 HA LYS 83 HA LYS 83 2.757 -14.748 -1.759 621 HB2 LYS 83 2HB LYS 83 4.968 -15.003 -3.785 622 HB3 LYS 83 3HB LYS 83 5.134 -15.653 -2.135 623 HG2 LYS 83 2HG LYS 83 3.044 -16.963 -2.504 624 HG3 LYS 83 3HG LYS 83 3.039 -16.400 -4.193 625 HD2 LYS 83 2HD LYS 83 5.287 -17.403 -4.494 626 HD3 LYS 83 3HD LYS 83 5.195 -18.039 -2.834 627 HE2 LYS 83 2HE LYS 83 3.192 -19.327 -3.434 628 HE3 LYS 83 3HE LYS 83 3.270 -18.685 -5.090 629 HZ1 LYS 83 3HZ LYS 83 5.323 -20.359 -3.803 630 HZ2 LYS 83 1HZ LYS 83 4.242 -20.870 -4.937 631 HZ3 LYS 83 2HZ LYS 83 5.395 -19.763 -5.339 632 H ALA 84 HN ALA 84 4.588 -12.074 -3.167 633 HA ALA 84 HA ALA 84 5.218 -11.188 -0.437 634 HB1 ALA 84 1HB ALA 84 7.609 -10.852 -0.913 635 HB2 ALA 84 2HB ALA 84 7.159 -12.570 -1.021 636 HB3 ALA 84 3HB ALA 84 7.398 -11.617 -2.505 637 H ILE 85 HN ILE 85 6.201 -8.980 -0.420 638 HA ILE 85 HA ILE 85 5.156 -7.401 -2.722 639 HB ILE 85 HB ILE 85 5.354 -6.560 0.202 640 HG12 ILE 85 2HG1 ILE 85 2.911 -7.201 -1.479 641 HG13 ILE 85 3HG1 ILE 85 3.602 -8.255 -0.221 642 HG21 ILE 85 1HG2 ILE 85 4.099 -4.566 -0.521 643 HG22 ILE 85 2HG2 ILE 85 5.654 -4.697 -1.374 644 HG23 ILE 85 3HG2 ILE 85 4.144 -5.148 -2.201 645 HD11 ILE 85 3HD1 ILE 85 2.450 -5.490 0.210 646 HD12 ILE 85 1HD1 ILE 85 1.651 -7.021 0.623 647 HD13 ILE 85 2HD1 ILE 85 3.139 -6.544 1.467 648 H GLU 86 HN GLU 86 6.478 -5.901 -3.635 649 HA GLU 86 HA GLU 86 9.154 -5.459 -2.387 650 HB2 GLU 86 2HB GLU 86 9.255 -7.110 -4.248 651 HB3 GLU 86 3HB GLU 86 8.544 -5.893 -5.335 652 HG2 GLU 86 2HG GLU 86 10.933 -6.047 -5.683 653 HG3 GLU 86 3HG GLU 86 10.505 -4.460 -5.005 654 HE2 GLU 86 2HE GLU 86 12.969 -6.772 -3.008 655 H GLY 87 HN GLY 87 7.025 -3.785 -1.897 656 HA2 GLY 87 1HA GLY 87 6.821 -1.454 -1.857 657 HA3 GLY 87 2HA GLY 87 7.914 -1.338 -3.254 658 H VAL 88 HN VAL 88 6.956 -0.493 -4.973 659 HA VAL 88 HA VAL 88 4.072 -0.699 -5.335 660 HB VAL 88 HB VAL 88 4.425 0.562 -7.410 661 HG11 VAL 88 1HG1 VAL 88 5.354 2.617 -6.433 662 HG12 VAL 88 2HG1 VAL 88 4.275 1.782 -5.293 663 HG13 VAL 88 3HG1 VAL 88 6.041 1.668 -5.095 664 HG21 VAL 88 3HG2 VAL 88 6.527 -0.463 -8.133 665 HG22 VAL 88 1HG2 VAL 88 6.665 1.309 -8.093 666 HG23 VAL 88 2HG2 VAL 88 7.384 0.333 -6.791 667 H LYS 89 HN LYS 89 6.656 -2.699 -5.859 668 HA LYS 89 HA LYS 89 5.388 -4.072 -8.175 669 HB2 LYS 89 2HB LYS 89 8.141 -4.459 -6.948 670 HB3 LYS 89 3HB LYS 89 7.526 -5.191 -8.450 671 HG2 LYS 89 2HG LYS 89 7.600 -3.143 -9.608 672 HG3 LYS 89 3HG LYS 89 7.758 -2.201 -8.107 673 HD2 LYS 89 2HD LYS 89 9.840 -4.126 -9.200 674 HD3 LYS 89 3HD LYS 89 9.892 -2.355 -9.361 675 HE2 LYS 89 2HE LYS 89 9.916 -2.147 -6.900 676 HE3 LYS 89 3HE LYS 89 9.904 -3.918 -6.758 677 HZ1 LYS 89 3HZ LYS 89 12.016 -2.315 -8.035 678 HZ2 LYS 89 1HZ LYS 89 12.115 -3.023 -6.551 679 HZ3 LYS 89 2HZ LYS 89 12.007 -3.958 -7.904 680 H LEU 90 HN LEU 90 4.739 -6.213 -7.962 681 HA LEU 90 HA LEU 90 4.885 -7.278 -5.186 682 HB2 LEU 90 2HB LEU 90 2.911 -7.935 -7.390 683 HB3 LEU 90 3HB LEU 90 2.912 -8.605 -5.740 684 HG LEU 90 HG LEU 90 2.429 -5.712 -6.495 685 HD11 LEU 90 1HD1 LEU 90 0.123 -6.157 -5.757 686 HD12 LEU 90 2HD1 LEU 90 0.584 -7.203 -7.120 687 HD13 LEU 90 3HD1 LEU 90 0.547 -7.860 -5.466 688 HD21 LEU 90 3HD2 LEU 90 3.539 -5.937 -4.317 689 HD22 LEU 90 1HD2 LEU 90 1.851 -5.413 -4.119 690 HD23 LEU 90 2HD2 LEU 90 2.299 -7.104 -3.799 691 H VAL 91 HN VAL 91 5.465 -9.400 -4.849 692 HA VAL 91 HA VAL 91 6.939 -10.649 -7.080 693 HB VAL 91 HB VAL 91 6.789 -11.468 -4.154 694 HG11 VAL 91 1HG1 VAL 91 8.761 -12.843 -4.677 695 HG12 VAL 91 2HG1 VAL 91 7.358 -13.312 -5.666 696 HG13 VAL 91 3HG1 VAL 91 8.664 -12.334 -6.379 697 HG21 VAL 91 3HG2 VAL 91 7.817 -9.254 -4.411 698 HG22 VAL 91 1HG2 VAL 91 9.030 -10.467 -3.943 699 HG23 VAL 91 2HG2 VAL 91 8.938 -9.909 -5.629 700 H VAL 92 HN VAL 92 5.605 -11.723 -8.385 701 HA VAL 92 HA VAL 92 3.597 -13.493 -7.097 702 HB VAL 92 HB VAL 92 2.049 -13.040 -8.939 703 HG11 VAL 92 1HG1 VAL 92 1.440 -10.725 -8.388 704 HG12 VAL 92 2HG1 VAL 92 1.901 -11.642 -6.936 705 HG13 VAL 92 3HG1 VAL 92 3.041 -10.479 -7.655 706 HG21 VAL 92 3HG2 VAL 92 3.687 -12.569 -10.699 707 HG22 VAL 92 1HG2 VAL 92 2.483 -11.265 -10.586 708 HG23 VAL 92 2HG2 VAL 92 4.108 -11.032 -9.904 709 H GLU 93 HN GLU 93 2.963 -15.341 -8.319 710 HA GLU 93 HA GLU 93 4.515 -15.913 -10.757 711 HB2 GLU 93 2HB GLU 93 5.004 -18.225 -9.990 712 HB3 GLU 93 3HB GLU 93 5.904 -16.965 -9.114 713 HG2 GLU 93 2HG GLU 93 4.424 -17.168 -7.215 714 HG3 GLU 93 3HG GLU 93 3.400 -18.325 -8.094 715 HE2 GLU 93 2HE GLU 93 6.638 -19.639 -6.300 716 H LYS 94 HN LYS 94 3.652 -17.922 -11.848 717 HA LYS 94 HA LYS 94 0.798 -17.577 -12.035 718 HB2 LYS 94 2HB LYS 94 2.060 -18.084 -14.033 719 HB3 LYS 94 3HB LYS 94 2.669 -19.594 -13.313 720 HG2 LYS 94 2HG LYS 94 0.345 -20.456 -13.237 721 HG3 LYS 94 3HG LYS 94 -0.208 -18.970 -14.046 722 HD2 LYS 94 2HD LYS 94 0.950 -19.502 -16.041 723 HD3 LYS 94 3HD LYS 94 1.901 -20.777 -15.241 724 HE2 LYS 94 2HE LYS 94 0.085 -21.678 -16.680 725 HE3 LYS 94 3HE LYS 94 -0.078 -22.155 -14.976 726 HZ1 LYS 94 3HZ LYS 94 -1.560 -19.981 -16.294 727 HZ2 LYS 94 1HZ LYS 94 -2.170 -21.461 -15.907 728 HZ3 LYS 94 2HZ LYS 94 -1.709 -20.423 -14.712 729 H LEU 95 HN LEU 95 -0.817 -18.740 -11.245 730 HA LEU 95 HA LEU 95 -0.105 -21.116 -9.610 731 HB2 LEU 95 2HB LEU 95 -1.822 -18.840 -9.197 732 HB3 LEU 95 3HB LEU 95 -2.781 -20.340 -9.159 733 HG LEU 95 HG LEU 95 -1.935 -19.514 -6.937 734 HD11 LEU 95 1HD1 LEU 95 -1.303 -21.759 -6.144 735 HD12 LEU 95 2HD1 LEU 95 -2.659 -21.832 -7.292 736 HD13 LEU 95 3HD1 LEU 95 -1.018 -22.268 -7.825 737 HD21 LEU 95 3HD2 LEU 95 0.287 -18.766 -7.667 738 HD22 LEU 95 1HD2 LEU 95 0.419 -19.968 -6.363 739 HD23 LEU 95 2HD2 LEU 95 0.734 -20.447 -8.046 740 H GLU 96 HN GLU 96 -1.696 -22.886 -9.616 741 HA GLU 96 HA GLU 96 -2.311 -23.623 -12.328 742 HB2 GLU 96 2HB GLU 96 -2.908 -24.887 -9.646 743 HB3 GLU 96 3HB GLU 96 -3.453 -25.593 -11.186 744 HG2 GLU 96 2HG GLU 96 -0.987 -25.528 -11.875 745 HG3 GLU 96 3HG GLU 96 -0.647 -25.251 -10.153 746 HE2 GLU 96 2HE GLU 96 -1.910 -28.835 -11.298 747 H GLU 97 HN GLU 97 -4.319 -24.082 -13.243 748 HA GLU 97 HA GLU 97 -6.571 -22.496 -12.337 749 HB2 GLU 97 2HB GLU 97 -6.174 -22.950 -14.710 750 HB3 GLU 97 3HB GLU 97 -6.334 -24.698 -14.412 751 HG2 GLU 97 2HG GLU 97 -8.679 -24.283 -13.661 752 HG3 GLU 97 3HG GLU 97 -8.488 -22.590 -14.164 753 HE2 GLU 97 2HE GLU 97 -9.012 -23.408 -17.461 754 H GLN 98 HN GLN 98 -8.036 -23.094 -10.847 755 HA GLN 98 HA GLN 98 -7.570 -25.632 -9.506 756 HB2 GLN 98 2HB GLN 98 -9.517 -23.368 -8.973 757 HB3 GLN 98 3HB GLN 98 -9.290 -24.784 -7.918 758 HG2 GLN 98 2HG GLN 98 -7.007 -24.157 -7.475 759 HG3 GLN 98 3HG GLN 98 -7.093 -22.838 -8.664 760 HE21 GLN 98 1HE2 GLN 98 -6.514 -21.276 -7.134 761 HE22 GLN 98 2HE2 GLN 98 -7.627 -20.744 -5.891 762 H LYS 99 HN LYS 99 -8.385 -27.448 -10.260 763 HA LYS 99 HA LYS 99 -10.982 -27.457 -11.627 764 HB2 LYS 99 2HB LYS 99 -8.984 -29.643 -10.979 765 HB3 LYS 99 3HB LYS 99 -10.566 -29.954 -11.734 766 HG2 LYS 99 2HG LYS 99 -9.053 -29.916 -13.518 767 HG3 LYS 99 3HG LYS 99 -9.828 -28.314 -13.555 768 HD2 LYS 99 2HD LYS 99 -7.882 -27.379 -12.338 769 HD3 LYS 99 3HD LYS 99 -7.103 -28.977 -12.398 770 HE2 LYS 99 2HE LYS 99 -7.079 -28.909 -14.832 771 HE3 LYS 99 3HE LYS 99 -7.952 -27.361 -14.822 772 HZ1 LYS 99 3HZ LYS 99 -5.266 -27.820 -13.707 773 HZ2 LYS 99 1HZ LYS 99 -5.598 -27.052 -15.127 774 HZ3 LYS 99 2HZ LYS 99 -6.076 -26.384 -13.699 775 H GLY 100 HN GLY 100 -12.868 -28.343 -10.813 776 HA2 GLY 100 1HA GLY 100 -12.748 -29.385 -8.047 777 HA3 GLY 100 2HA GLY 100 -13.765 -27.966 -8.387 778 H SER 101 HN SER 101 -15.141 -29.893 -7.351 779 HA SER 101 HA SER 101 -16.183 -31.646 -9.473 780 HB2 SER 101 2HB SER 101 -17.045 -31.355 -6.570 781 HB3 SER 101 3HB SER 101 -17.501 -32.658 -7.695 782 HG SER 101 HG SER 101 -15.769 -33.255 -6.298 Start of MODEL 14 1 H1 MET 1 HN MET 1 -49.210 33.039 17.393 2 HA MET 1 HA MET 1 -47.260 34.583 16.014 3 HB2 MET 1 2HB MET 1 -48.340 36.731 15.742 4 HB3 MET 1 3HB MET 1 -49.221 35.505 14.800 5 HG2 MET 1 2HG MET 1 -50.075 36.512 17.526 6 HG3 MET 1 3HG MET 1 -50.678 37.152 15.987 7 HE1 MET 1 3HE MET 1 -53.159 36.679 16.862 8 HE2 MET 1 1HE MET 1 -53.720 35.090 17.434 9 HE3 MET 1 2HE MET 1 -52.509 35.994 18.372 10 H GLY 2 HN GLY 2 -46.106 35.893 17.415 11 HA2 GLY 2 1HA GLY 2 -45.518 36.883 19.406 12 HA3 GLY 2 2HA GLY 2 -47.230 36.845 19.884 13 H SER 3 HN SER 3 -44.298 34.827 19.602 14 HA SER 3 HA SER 3 -45.391 33.195 21.841 15 HB2 SER 3 2HB SER 3 -43.808 31.410 20.969 16 HB3 SER 3 3HB SER 3 -45.204 31.787 19.931 17 HG SER 3 HG SER 3 -43.229 31.653 18.753 18 H SER 4 HN SER 4 -44.574 34.455 23.505 19 HA SER 4 HA SER 4 -41.629 34.230 23.805 20 HB2 SER 4 2HB SER 4 -41.723 36.502 24.952 21 HB3 SER 4 3HB SER 4 -41.916 36.510 23.182 22 HG SER 4 HG SER 4 -43.472 37.829 24.252 23 H HIS 5 HN HIS 5 -42.182 32.353 25.065 24 HA HIS 5 HA HIS 5 -43.004 33.138 27.816 25 HB2 HIS 5 2HB HIS 5 -43.944 30.834 26.139 26 HB3 HIS 5 3HB HIS 5 -43.794 30.625 27.893 27 HD1 HIS 5 1HD HIS 5 -44.932 33.922 26.467 28 HD2 HIS 5 2HD HIS 5 -46.575 30.515 28.246 29 HE1 HIS 5 1HE HIS 5 -47.330 34.508 27.035 30 HE2 HIS 5 2HE HIS 5 -48.323 32.437 28.110 31 H HIS 6 HN HIS 6 -41.004 33.255 28.682 32 HA HIS 6 HA HIS 6 -39.545 30.674 28.839 33 HB2 HIS 6 2HB HIS 6 -38.347 33.408 28.308 34 HB3 HIS 6 3HB HIS 6 -37.404 32.019 28.880 35 HD1 HIS 6 1HD HIS 6 -36.756 30.238 27.196 36 HD2 HIS 6 2HD HIS 6 -39.253 33.193 25.616 37 HE1 HIS 6 1HE HIS 6 -36.723 29.923 24.681 38 HE2 HIS 6 2HE HIS 6 -38.246 31.717 23.728 39 H HIS 7 HN HIS 7 -38.976 30.129 30.866 40 HA HIS 7 HA HIS 7 -39.419 32.168 32.970 41 HB2 HIS 7 2HB HIS 7 -39.312 29.151 32.999 42 HB3 HIS 7 3HB HIS 7 -39.180 30.106 34.488 43 HD1 HIS 7 1HD HIS 7 -41.630 28.549 32.316 44 HD2 HIS 7 2HD HIS 7 -41.538 31.912 34.795 45 HE1 HIS 7 1HE HIS 7 -44.047 29.178 32.747 46 HE2 HIS 7 2HE HIS 7 -43.982 31.220 34.252 47 H HIS 8 HN HIS 8 -37.903 32.025 34.873 48 HA HIS 8 HA HIS 8 -35.157 32.015 33.751 49 HB2 HIS 8 2HB HIS 8 -36.456 33.488 36.048 50 HB3 HIS 8 3HB HIS 8 -34.693 33.364 35.897 51 HD1 HIS 8 1HD HIS 8 -34.198 35.779 35.352 52 HD2 HIS 8 2HD HIS 8 -37.054 34.089 32.818 53 HE1 HIS 8 1HE HIS 8 -34.561 37.450 33.483 54 HE2 HIS 8 2HE HIS 8 -36.295 36.414 31.946 55 H HIS 9 HN HIS 9 -34.178 30.128 34.066 56 HA HIS 9 HA HIS 9 -34.649 28.676 36.575 57 HB2 HIS 9 2HB HIS 9 -33.301 26.899 35.634 58 HB3 HIS 9 3HB HIS 9 -34.539 27.408 34.470 59 HD1 HIS 9 1HD HIS 9 -31.106 26.481 34.609 60 HD2 HIS 9 2HD HIS 9 -33.263 29.376 32.512 61 HE1 HIS 9 1HE HIS 9 -29.662 27.146 32.639 62 HE2 HIS 9 2HE HIS 9 -30.976 28.906 31.370 63 H HIS 10 HN HIS 10 -33.824 30.397 37.924 64 HA HIS 10 HA HIS 10 -31.033 31.143 37.597 65 HB2 HIS 10 2HB HIS 10 -31.394 32.501 39.654 66 HB3 HIS 10 3HB HIS 10 -32.501 32.873 38.319 67 HD1 HIS 10 1HD HIS 10 -32.414 31.920 41.875 68 HD2 HIS 10 2HD HIS 10 -35.198 31.902 38.759 69 HE1 HIS 10 1HE HIS 10 -34.692 31.697 42.963 70 HE2 HIS 10 2HE HIS 10 -36.377 31.695 41.065 71 H SER 11 HN SER 11 -29.853 29.315 37.817 72 HA SER 11 HA SER 11 -29.433 28.506 40.617 73 HB2 SER 11 2HB SER 11 -31.055 26.865 39.643 74 HB3 SER 11 3HB SER 11 -29.851 26.474 38.392 75 HG SER 11 HG SER 11 -29.783 25.021 40.176 76 H SER 12 HN SER 12 -27.358 28.974 40.923 77 HA SER 12 HA SER 12 -25.465 28.299 38.725 78 HB2 SER 12 2HB SER 12 -25.636 30.737 39.318 79 HB3 SER 12 3HB SER 12 -25.061 30.326 40.952 80 HG SER 12 HG SER 12 -23.360 30.992 39.551 81 H GLY 13 HN GLY 13 -25.134 26.175 39.320 82 HA2 GLY 13 1HA GLY 13 -24.261 25.671 42.097 83 HA3 GLY 13 2HA GLY 13 -24.677 24.450 40.874 84 H ARG 14 HN ARG 14 -22.262 25.006 42.670 85 HA ARG 14 HA ARG 14 -20.320 24.250 40.626 86 HB2 ARG 14 2HB ARG 14 -20.113 26.690 40.576 87 HB3 ARG 14 3HB ARG 14 -19.889 26.718 42.342 88 HG2 ARG 14 2HG ARG 14 -17.818 25.431 42.104 89 HG3 ARG 14 3HG ARG 14 -18.043 25.389 40.339 90 HD2 ARG 14 2HD ARG 14 -17.864 27.814 40.231 91 HD3 ARG 14 3HD ARG 14 -17.730 27.904 42.000 92 HE ARG 14 HE ARG 14 -15.674 26.247 41.350 93 HH11 ARG 14 2HH1 ARG 14 -16.687 29.371 40.064 94 HH12 ARG 14 1HH1 ARG 14 -15.060 29.874 39.667 95 HH21 ARG 14 2HH2 ARG 14 -13.559 26.924 40.839 96 HH22 ARG 14 1HH2 ARG 14 -13.291 28.490 40.107 97 H GLU 15 HN GLU 15 -19.115 22.669 41.415 98 HA GLU 15 HA GLU 15 -19.044 22.352 44.367 99 HB2 GLU 15 2HB GLU 15 -18.699 20.358 42.112 100 HB3 GLU 15 3HB GLU 15 -18.406 19.984 43.827 101 HG2 GLU 15 2HG GLU 15 -20.721 20.445 44.365 102 HG3 GLU 15 3HG GLU 15 -21.039 20.961 42.695 103 HE2 GLU 15 2HE GLU 15 -21.495 17.721 41.648 104 H ASN 16 HN ASN 16 -17.268 23.139 45.249 105 HA ASN 16 HA ASN 16 -14.764 23.277 43.749 106 HB2 ASN 16 2HB ASN 16 -15.407 23.925 46.649 107 HB3 ASN 16 3HB ASN 16 -13.864 24.260 45.835 108 HD21 ASN 16 1HD2 ASN 16 -15.875 26.068 47.120 109 HD22 ASN 16 2HD2 ASN 16 -16.288 27.238 45.886 110 H LEU 17 HN LEU 17 -14.560 20.995 43.336 111 HA LEU 17 HA LEU 17 -13.577 19.494 45.716 112 HB2 LEU 17 2HB LEU 17 -15.147 18.398 43.359 113 HB3 LEU 17 3HB LEU 17 -14.497 17.454 44.723 114 HG LEU 17 HG LEU 17 -16.648 19.579 44.910 115 HD11 LEU 17 1HD1 LEU 17 -18.171 17.694 45.334 116 HD12 LEU 17 2HD1 LEU 17 -17.414 17.572 43.729 117 HD13 LEU 17 3HD1 LEU 17 -16.832 16.554 45.068 118 HD21 LEU 17 3HD2 LEU 17 -15.294 19.399 46.948 119 HD22 LEU 17 1HD2 LEU 17 -16.933 18.764 47.215 120 HD23 LEU 17 2HD2 LEU 17 -15.573 17.641 46.986 121 H TYR 18 HN TYR 18 -11.912 17.968 45.303 122 HA TYR 18 HA TYR 18 -10.345 18.643 42.885 123 HB2 TYR 18 2HB TYR 18 -9.614 17.213 45.458 124 HB3 TYR 18 3HB TYR 18 -8.517 17.397 44.079 125 HD1 TYR 18 1HD TYR 18 -7.586 19.590 43.513 126 HD2 TYR 18 2HD TYR 18 -10.218 19.154 46.834 127 HE1 TYR 18 1HE TYR 18 -6.933 21.814 44.322 128 HE2 TYR 18 2HE TYR 18 -9.558 21.372 47.648 129 HH TYR 18 HH TYR 18 -8.296 23.230 47.292 130 H PHE 19 HN PHE 19 -10.599 17.419 41.170 131 HA PHE 19 HA PHE 19 -11.699 14.694 41.557 132 HB2 PHE 19 2HB PHE 19 -12.814 16.492 40.097 133 HB3 PHE 19 3HB PHE 19 -11.476 16.239 38.964 134 HD1 PHE 19 2HD PHE 19 -14.129 14.359 40.797 135 HD2 PHE 19 1HD PHE 19 -11.680 14.605 37.321 136 HE1 PHE 19 2HE PHE 19 -15.339 12.461 39.816 137 HE2 PHE 19 1HE PHE 19 -12.892 12.710 36.330 138 HZ PHE 19 HZ PHE 19 -14.737 11.643 37.570 139 H GLN 20 HN GLN 20 -10.727 12.882 40.731 140 HA GLN 20 HA GLN 20 -8.005 13.275 39.582 141 HB2 GLN 20 2HB GLN 20 -8.954 11.177 41.564 142 HB3 GLN 20 3HB GLN 20 -7.373 11.160 40.747 143 HG2 GLN 20 2HG GLN 20 -6.887 13.378 41.793 144 HG3 GLN 20 3HG GLN 20 -8.400 13.220 42.713 145 HE21 GLN 20 1HE2 GLN 20 -8.553 11.718 44.392 146 HE22 GLN 20 2HE2 GLN 20 -7.137 10.943 45.074 147 H GLY 21 HN GLY 21 -7.431 10.610 39.042 148 HA2 GLY 21 1HA GLY 21 -8.298 8.718 37.874 149 HA3 GLY 21 2HA GLY 21 -9.692 9.694 37.360 150 H HIS 22 HN HIS 22 -7.211 8.118 36.136 151 HA HIS 22 HA HIS 22 -7.091 9.946 33.823 152 HB2 HIS 22 2HB HIS 22 -5.063 10.479 35.085 153 HB3 HIS 22 3HB HIS 22 -4.637 8.759 35.169 154 HD1 HIS 22 1HD HIS 22 -4.683 11.705 32.829 155 HD2 HIS 22 2HD HIS 22 -3.517 7.693 32.819 156 HE1 HIS 22 1HE HIS 22 -3.318 11.371 30.723 157 HE2 HIS 22 2HE HIS 22 -2.606 8.937 30.723 158 H MET 23 HN MET 23 -8.055 8.716 32.346 159 HA MET 23 HA MET 23 -7.117 5.898 32.097 160 HB2 MET 23 2HB MET 23 -9.687 7.206 31.157 161 HB3 MET 23 3HB MET 23 -9.196 5.536 30.783 162 HG2 MET 23 2HG MET 23 -9.215 4.998 33.176 163 HG3 MET 23 3HG MET 23 -9.704 6.658 33.549 164 HE1 MET 23 3HE MET 23 -11.764 5.814 34.934 165 HE2 MET 23 1HE MET 23 -12.957 4.639 34.333 166 HE3 MET 23 2HE MET 23 -11.275 4.133 34.611 167 H ALA 24 HN ALA 24 -5.903 5.407 30.386 168 HA ALA 24 HA ALA 24 -5.861 7.392 28.166 169 HB1 ALA 24 1HB ALA 24 -3.512 6.746 27.806 170 HB2 ALA 24 2HB ALA 24 -3.769 7.363 29.454 171 HB3 ALA 24 3HB ALA 24 -3.615 5.612 29.172 172 H ALA 25 HN ALA 25 -7.388 6.427 26.877 173 HA ALA 25 HA ALA 25 -6.736 3.688 25.937 174 HB1 ALA 25 1HB ALA 25 -9.010 3.680 24.991 175 HB2 ALA 25 2HB ALA 25 -9.035 4.019 26.737 176 HB3 ALA 25 3HB ALA 25 -9.256 5.344 25.570 177 H ARG 26 HN ARG 26 -5.318 3.752 24.310 178 HA ARG 26 HA ARG 26 -5.225 6.038 22.524 179 HB2 ARG 26 2HB ARG 26 -3.459 4.645 21.355 180 HB3 ARG 26 3HB ARG 26 -3.132 5.115 23.041 181 HG2 ARG 26 2HG ARG 26 -3.852 2.861 23.775 182 HG3 ARG 26 3HG ARG 26 -4.077 2.403 22.070 183 HD2 ARG 26 2HD ARG 26 -1.728 2.764 21.614 184 HD3 ARG 26 3HD ARG 26 -1.466 3.389 23.257 185 HE ARG 26 HE ARG 26 -2.533 0.814 23.535 186 HH11 ARG 26 2HH1 ARG 26 0.335 2.338 22.183 187 HH12 ARG 26 1HH1 ARG 26 1.361 0.949 22.465 188 HH21 ARG 26 2HH2 ARG 26 -1.194 -0.998 23.897 189 HH22 ARG 26 1HH2 ARG 26 0.493 -0.945 23.437 190 H ILE 27 HN ILE 27 -7.348 5.976 21.746 191 HA ILE 27 HA ILE 27 -8.242 3.803 20.060 192 HB ILE 27 HB ILE 27 -9.222 6.682 20.273 193 HG12 ILE 27 2HG1 ILE 27 -10.282 4.163 21.591 194 HG13 ILE 27 3HG1 ILE 27 -9.296 5.403 22.401 195 HG21 ILE 27 1HG2 ILE 27 -11.301 5.832 19.267 196 HG22 ILE 27 2HG2 ILE 27 -9.912 5.596 18.183 197 HG23 ILE 27 3HG2 ILE 27 -10.564 4.221 19.105 198 HD11 ILE 27 3HD1 ILE 27 -12.038 5.824 21.187 199 HD12 ILE 27 1HD1 ILE 27 -11.684 5.684 22.922 200 HD13 ILE 27 2HD1 ILE 27 -11.052 7.064 21.999 201 H THR 28 HN THR 28 -7.325 3.370 18.142 202 HA THR 28 HA THR 28 -6.051 5.563 16.664 203 HB THR 28 HB THR 28 -5.492 3.651 15.032 204 HG1 THR 28 1HG THR 28 -5.587 1.569 16.026 205 HG21 THR 28 3HG2 THR 28 -4.446 3.536 17.882 206 HG22 THR 28 1HG2 THR 28 -3.626 2.878 16.447 207 HG23 THR 28 2HG2 THR 28 -3.873 4.632 16.602 208 H GLY 29 HN GLY 29 -7.796 6.812 16.043 209 HA2 GLY 29 1HA GLY 29 -9.797 5.492 14.296 210 HA3 GLY 29 2HA GLY 29 -9.984 7.064 15.103 211 H GLU 30 HN GLU 30 -8.011 5.364 12.674 212 HA GLU 30 HA GLU 30 -7.907 7.932 11.170 213 HB2 GLU 30 2HB GLU 30 -5.808 5.743 11.261 214 HB3 GLU 30 3HB GLU 30 -5.729 7.238 10.301 215 HG2 GLU 30 2HG GLU 30 -5.825 8.522 12.454 216 HG3 GLU 30 3HG GLU 30 -5.671 6.975 13.314 217 HE2 GLU 30 2HE GLU 30 -2.463 8.598 11.726 218 HA PRO 31 HA PRO 31 -9.784 5.669 7.871 219 HB2 PRO 31 2HB PRO 31 -8.985 7.181 5.719 220 HB3 PRO 31 3HB PRO 31 -10.139 7.780 6.954 221 HG2 PRO 31 2HG PRO 31 -7.198 8.265 6.770 222 HG3 PRO 31 3HG PRO 31 -8.513 9.463 7.007 223 HD2 PRO 31 2HD PRO 31 -7.015 8.487 9.061 224 HD3 PRO 31 3HD PRO 31 -8.756 8.855 9.256 225 H SER 32 HN SER 32 -9.101 4.986 5.449 226 HA SER 32 HA SER 32 -7.008 3.057 5.798 227 HB2 SER 32 2HB SER 32 -8.396 3.990 3.257 228 HB3 SER 32 3HB SER 32 -7.464 2.488 3.459 229 HG SER 32 HG SER 32 -9.731 2.165 3.686 230 H LYS 33 HN LYS 33 -4.920 3.467 5.810 231 HA LYS 33 HA LYS 33 -3.820 5.845 4.519 232 HB2 LYS 33 2HB LYS 33 -2.488 3.545 5.991 233 HB3 LYS 33 3HB LYS 33 -1.694 5.057 5.485 234 HG2 LYS 33 2HG LYS 33 -3.103 6.349 6.962 235 HG3 LYS 33 3HG LYS 33 -4.051 4.902 7.384 236 HD2 LYS 33 2HD LYS 33 -2.028 3.892 8.383 237 HD3 LYS 33 3HD LYS 33 -1.120 5.376 8.004 238 HE2 LYS 33 2HE LYS 33 -2.657 6.682 9.400 239 HE3 LYS 33 3HE LYS 33 -3.587 5.212 9.765 240 HZ1 LYS 33 3HZ LYS 33 -0.777 5.685 10.489 241 HZ2 LYS 33 1HZ LYS 33 -2.060 5.756 11.521 242 HZ3 LYS 33 2HZ LYS 33 -1.640 4.321 10.828 243 H LYS 34 HN LYS 34 -1.607 5.410 3.266 244 HA LYS 34 HA LYS 34 -2.510 3.792 0.978 245 HB2 LYS 34 2HB LYS 34 -0.971 5.002 -0.336 246 HB3 LYS 34 3HB LYS 34 -1.711 6.183 0.771 247 HG2 LYS 34 2HG LYS 34 0.302 6.040 2.208 248 HG3 LYS 34 3HG LYS 34 1.042 4.945 1.015 249 HD2 LYS 34 2HD LYS 34 0.621 6.790 -0.707 250 HD3 LYS 34 3HD LYS 34 0.277 7.854 0.677 251 HE2 LYS 34 2HE LYS 34 2.564 8.194 0.144 252 HE3 LYS 34 3HE LYS 34 2.545 7.175 1.600 253 HZ1 LYS 34 3HZ LYS 34 2.929 6.214 -1.158 254 HZ2 LYS 34 1HZ LYS 34 4.115 6.375 -0.024 255 HZ3 LYS 34 2HZ LYS 34 2.913 5.269 0.193 256 H ALA 35 HN ALA 35 -1.070 2.952 3.673 257 HA ALA 35 HA ALA 35 1.261 1.544 2.667 258 HB1 ALA 35 1HB ALA 35 1.283 0.489 4.890 259 HB2 ALA 35 2HB ALA 35 1.100 2.255 5.013 260 HB3 ALA 35 3HB ALA 35 -0.311 1.196 5.241 261 H VAL 36 HN VAL 36 1.323 -0.356 1.658 262 HA VAL 36 HA VAL 36 -1.034 -1.579 0.734 263 HB VAL 36 HB VAL 36 0.997 -1.845 -0.500 264 HG11 VAL 36 1HG1 VAL 36 2.918 -3.149 0.306 265 HG12 VAL 36 2HG1 VAL 36 2.598 -1.744 1.346 266 HG13 VAL 36 3HG1 VAL 36 2.107 -3.372 1.871 267 HG21 VAL 36 3HG2 VAL 36 -0.624 -3.671 -0.686 268 HG22 VAL 36 1HG2 VAL 36 1.037 -4.276 -0.879 269 HG23 VAL 36 2HG2 VAL 36 0.174 -4.526 0.655 270 H SER 37 HN SER 37 -2.467 -2.753 1.663 271 HA SER 37 HA SER 37 -2.034 -3.921 4.280 272 HB2 SER 37 2HB SER 37 -4.377 -4.268 2.376 273 HB3 SER 37 3HB SER 37 -4.364 -4.547 4.133 274 HG SER 37 HG SER 37 -5.253 -2.502 3.563 275 H ASP 38 HN ASP 38 -1.640 -6.007 4.804 276 HA ASP 38 HA ASP 38 -0.533 -7.670 2.712 277 HB2 ASP 38 2HB ASP 38 -0.918 -8.039 5.691 278 HB3 ASP 38 3HB ASP 38 -0.236 -9.309 4.652 279 HD2 ASP 38 2HD ASP 38 2.793 -7.641 4.371 280 H ARG 39 HN ARG 39 -3.648 -7.103 3.163 281 HA ARG 39 HA ARG 39 -4.731 -9.760 3.444 282 HB2 ARG 39 2HB ARG 39 -6.829 -8.815 2.891 283 HB3 ARG 39 3HB ARG 39 -5.965 -7.573 3.828 284 HG2 ARG 39 2HG ARG 39 -5.418 -6.375 1.773 285 HG3 ARG 39 3HG ARG 39 -6.226 -7.635 0.808 286 HD2 ARG 39 2HD ARG 39 -8.342 -7.127 2.078 287 HD3 ARG 39 3HD ARG 39 -7.499 -5.747 2.814 288 HE ARG 39 HE ARG 39 -7.566 -5.865 -0.131 289 HH11 ARG 39 2HH1 ARG 39 -8.832 -4.479 2.859 290 HH12 ARG 39 1HH1 ARG 39 -9.592 -3.124 2.055 291 HH21 ARG 39 2HH2 ARG 39 -8.587 -4.107 -1.165 292 HH22 ARG 39 1HH2 ARG 39 -9.452 -2.914 -0.222 293 H LEU 40 HN LEU 40 -3.034 -8.171 0.970 294 HA LEU 40 HA LEU 40 -4.321 -9.562 -1.257 295 HB2 LEU 40 2HB LEU 40 -1.717 -8.011 -1.161 296 HB3 LEU 40 3HB LEU 40 -2.649 -8.456 -2.610 297 HG LEU 40 HG LEU 40 -3.502 -6.510 -0.453 298 HD11 LEU 40 1HD1 LEU 40 -3.245 -4.816 -2.219 299 HD12 LEU 40 2HD1 LEU 40 -1.711 -5.654 -1.893 300 HD13 LEU 40 3HD1 LEU 40 -2.664 -6.073 -3.337 301 HD21 LEU 40 3HD2 LEU 40 -5.403 -7.726 -1.402 302 HD22 LEU 40 1HD2 LEU 40 -5.405 -6.027 -1.930 303 HD23 LEU 40 2HD2 LEU 40 -4.861 -7.302 -3.044 304 H ILE 41 HN ILE 41 -1.800 -10.131 1.041 305 HA ILE 41 HA ILE 41 -0.151 -11.825 -0.587 306 HB ILE 41 HB ILE 41 -0.422 -11.683 2.442 307 HG12 ILE 41 2HG1 ILE 41 0.235 -9.549 1.462 308 HG13 ILE 41 3HG1 ILE 41 1.591 -10.288 2.347 309 HG21 ILE 41 1HG2 ILE 41 1.791 -12.765 2.496 310 HG22 ILE 41 2HG2 ILE 41 0.582 -13.799 1.700 311 HG23 ILE 41 3HG2 ILE 41 1.767 -12.900 0.722 312 HD11 ILE 41 3HD1 ILE 41 1.208 -10.301 -0.657 313 HD12 ILE 41 1HD1 ILE 41 2.350 -9.275 0.238 314 HD13 ILE 41 2HD1 ILE 41 2.566 -11.039 0.229 315 H GLY 42 HN GLY 42 -0.631 -13.768 -1.349 316 HA2 GLY 42 1HA GLY 42 -1.117 -16.056 -0.990 317 HA3 GLY 42 2HA GLY 42 -2.081 -15.619 0.439 318 H ARG 43 HN ARG 43 -2.747 -13.556 -2.179 319 HA ARG 43 HA ARG 43 -5.145 -15.197 -2.813 320 HB2 ARG 43 2HB ARG 43 -4.757 -12.223 -3.226 321 HB3 ARG 43 3HB ARG 43 -6.253 -13.158 -3.467 322 HG2 ARG 43 2HG ARG 43 -6.006 -13.738 -0.946 323 HG3 ARG 43 3HG ARG 43 -4.911 -12.335 -0.906 324 HD2 ARG 43 2HD ARG 43 -7.860 -12.446 -1.475 325 HD3 ARG 43 3HD ARG 43 -6.960 -11.377 -0.377 326 HE ARG 43 HE ARG 43 -6.351 -11.026 -3.211 327 HH11 ARG 43 2HH1 ARG 43 -8.296 -9.972 -0.462 328 HH12 ARG 43 1HH1 ARG 43 -8.726 -8.448 -1.200 329 HH21 ARG 43 2HH2 ARG 43 -6.954 -9.062 -4.162 330 HH22 ARG 43 1HH2 ARG 43 -7.969 -7.935 -3.288 331 H LYS 44 HN LYS 44 -6.037 -14.505 -5.084 332 HA LYS 44 HA LYS 44 -3.819 -15.031 -6.971 333 HB2 LYS 44 2HB LYS 44 -5.764 -16.585 -6.873 334 HB3 LYS 44 3HB LYS 44 -6.829 -15.235 -7.334 335 HG2 LYS 44 2HG LYS 44 -5.496 -15.007 -9.441 336 HG3 LYS 44 3HG LYS 44 -4.629 -16.493 -8.986 337 HD2 LYS 44 2HD LYS 44 -6.417 -17.034 -10.535 338 HD3 LYS 44 3HD LYS 44 -6.792 -17.704 -8.929 339 HE2 LYS 44 2HE LYS 44 -8.334 -15.901 -8.475 340 HE3 LYS 44 3HE LYS 44 -7.865 -15.065 -9.971 341 HZ1 LYS 44 3HZ LYS 44 -9.207 -17.680 -9.820 342 HZ2 LYS 44 1HZ LYS 44 -9.926 -16.254 -10.227 343 HZ3 LYS 44 2HZ LYS 44 -8.772 -16.904 -11.208 344 H GLY 45 HN GLY 45 -3.461 -13.781 -8.777 345 HA2 GLY 45 1HA GLY 45 -5.220 -11.412 -9.140 346 HA3 GLY 45 2HA GLY 45 -3.449 -11.254 -9.158 347 H VAL 46 HN VAL 46 -4.679 -10.386 -11.360 348 HA VAL 46 HA VAL 46 -4.270 -12.616 -13.291 349 HB VAL 46 HB VAL 46 -6.654 -12.001 -13.156 350 HG11 VAL 46 1HG1 VAL 46 -7.431 -9.786 -13.887 351 HG12 VAL 46 2HG1 VAL 46 -6.406 -9.674 -12.438 352 HG13 VAL 46 3HG1 VAL 46 -5.743 -9.245 -14.034 353 HG21 VAL 46 3HG2 VAL 46 -5.736 -12.783 -15.290 354 HG22 VAL 46 1HG2 VAL 46 -7.040 -11.603 -15.555 355 HG23 VAL 46 2HG2 VAL 46 -5.342 -11.107 -15.743 356 H VAL 47 HN VAL 47 -3.147 -12.161 -15.175 357 HA VAL 47 HA VAL 47 -1.338 -9.875 -14.935 358 HB VAL 47 HB VAL 47 -1.452 -12.044 -17.066 359 HG11 VAL 47 1HG1 VAL 47 0.885 -11.410 -17.503 360 HG12 VAL 47 2HG1 VAL 47 -0.219 -10.039 -17.754 361 HG13 VAL 47 3HG1 VAL 47 0.766 -10.129 -16.275 362 HG21 VAL 47 3HG2 VAL 47 -1.142 -13.009 -14.833 363 HG22 VAL 47 1HG2 VAL 47 0.346 -13.145 -15.798 364 HG23 VAL 47 2HG2 VAL 47 0.217 -11.899 -14.535 365 H MET 48 HN MET 48 -1.718 -7.970 -15.813 366 HA MET 48 HA MET 48 -3.703 -7.768 -18.000 367 HB2 MET 48 2HB MET 48 -2.329 -5.619 -16.356 368 HB3 MET 48 3HB MET 48 -3.642 -5.366 -17.531 369 HG2 MET 48 2HG MET 48 -3.986 -7.137 -15.116 370 HG3 MET 48 3HG MET 48 -4.216 -5.383 -15.025 371 HE1 MET 48 3HE MET 48 -5.697 -8.810 -16.147 372 HE2 MET 48 1HE MET 48 -6.936 -8.361 -17.337 373 HE3 MET 48 2HE MET 48 -5.216 -8.175 -17.739 374 H GLU 49 HN GLU 49 -0.299 -7.203 -17.227 375 HA GLU 49 HA GLU 49 0.195 -6.929 -20.154 376 HB2 GLU 49 2HB GLU 49 0.439 -4.727 -18.991 377 HB3 GLU 49 3HB GLU 49 1.704 -5.453 -17.971 378 HG2 GLU 49 2HG GLU 49 2.956 -5.993 -20.092 379 HG3 GLU 49 3HG GLU 49 1.762 -5.005 -20.962 380 HE2 GLU 49 2HE GLU 49 3.109 -2.046 -19.662 381 H ALA 50 HN ALA 50 1.883 -8.136 -20.929 382 HA ALA 50 HA ALA 50 2.525 -10.491 -19.583 383 HB1 ALA 50 1HB ALA 50 4.232 -10.833 -21.323 384 HB2 ALA 50 2HB ALA 50 2.721 -10.196 -22.011 385 HB3 ALA 50 3HB ALA 50 4.115 -9.115 -21.771 386 H ILE 51 HN ILE 51 4.112 -11.238 -18.309 387 HA ILE 51 HA ILE 51 6.036 -9.200 -17.300 388 HB ILE 51 HB ILE 51 4.903 -11.614 -15.824 389 HG12 ILE 51 2HG1 ILE 51 4.292 -8.672 -15.426 390 HG13 ILE 51 3HG1 ILE 51 3.231 -9.824 -16.273 391 HG21 ILE 51 1HG2 ILE 51 5.968 -10.604 -13.846 392 HG22 ILE 51 2HG2 ILE 51 7.166 -10.974 -15.108 393 HG23 ILE 51 3HG2 ILE 51 6.620 -9.299 -14.863 394 HD11 ILE 51 3HD1 ILE 51 4.070 -9.984 -13.368 395 HD12 ILE 51 1HD1 ILE 51 2.480 -9.458 -13.959 396 HD13 ILE 51 2HD1 ILE 51 3.009 -11.134 -14.216 397 H SER 52 HN SER 52 8.166 -9.658 -17.434 398 HA SER 52 HA SER 52 8.923 -12.502 -17.820 399 HB2 SER 52 2HB SER 52 10.751 -11.654 -19.368 400 HB3 SER 52 3HB SER 52 9.094 -11.605 -20.017 401 HG SER 52 HG SER 52 10.263 -9.660 -20.411 402 HA PRO 53 HA PRO 53 12.030 -11.933 -14.725 403 HB2 PRO 53 2HB PRO 53 14.053 -12.986 -16.697 404 HB3 PRO 53 3HB PRO 53 13.597 -13.572 -15.064 405 HG2 PRO 53 2HG PRO 53 12.835 -14.833 -17.281 406 HG3 PRO 53 3HG PRO 53 11.814 -14.796 -15.807 407 HD2 PRO 53 2HD PRO 53 11.561 -13.314 -18.411 408 HD3 PRO 53 3HD PRO 53 10.290 -13.890 -17.292 409 H GLN 54 HN GLN 54 12.553 -10.705 -17.984 410 HA GLN 54 HA GLN 54 14.658 -8.876 -17.028 411 HB2 GLN 54 2HB GLN 54 14.860 -10.026 -19.230 412 HB3 GLN 54 3HB GLN 54 13.433 -9.121 -19.787 413 HG2 GLN 54 2HG GLN 54 14.641 -7.008 -19.400 414 HG3 GLN 54 3HG GLN 54 16.070 -7.931 -18.888 415 HE21 GLN 54 1HE2 GLN 54 15.769 -6.013 -21.097 416 HE22 GLN 54 2HE2 GLN 54 16.203 -6.885 -22.552 417 H ASN 55 HN ASN 55 11.512 -8.608 -18.776 418 HA ASN 55 HA ASN 55 11.332 -5.837 -17.711 419 HB2 ASN 55 2HB ASN 55 11.209 -6.076 -20.172 420 HB3 ASN 55 3HB ASN 55 9.800 -7.143 -19.989 421 HD21 ASN 55 1HD2 ASN 55 8.429 -5.797 -21.163 422 HD22 ASN 55 2HD2 ASN 55 7.860 -4.264 -20.537 423 H SER 56 HN SER 56 10.110 -5.557 -15.997 424 HA SER 56 HA SER 56 8.302 -7.549 -15.005 425 HB2 SER 56 2HB SER 56 8.387 -4.593 -14.305 426 HB3 SER 56 3HB SER 56 7.789 -5.932 -13.296 427 HG SER 56 HG SER 56 9.920 -5.272 -12.728 428 H GLY 57 HN GLY 57 5.932 -7.171 -14.613 429 HA2 GLY 57 1HA GLY 57 4.765 -5.632 -16.887 430 HA3 GLY 57 2HA GLY 57 4.252 -7.296 -16.520 431 H LEU 58 HN LEU 58 2.115 -6.195 -16.453 432 HA LEU 58 HA LEU 58 1.688 -4.911 -13.798 433 HB2 LEU 58 2HB LEU 58 0.266 -4.462 -16.436 434 HB3 LEU 58 3HB LEU 58 -0.298 -3.826 -14.873 435 HG LEU 58 HG LEU 58 2.270 -3.122 -16.303 436 HD11 LEU 58 1HD1 LEU 58 1.253 -0.885 -16.471 437 HD12 LEU 58 2HD1 LEU 58 0.256 -2.116 -17.277 438 HD13 LEU 58 3HD1 LEU 58 -0.216 -1.497 -15.676 439 HD21 LEU 58 3HD2 LEU 58 2.592 -3.170 -13.874 440 HD22 LEU 58 1HD2 LEU 58 2.620 -1.501 -14.486 441 HD23 LEU 58 2HD2 LEU 58 1.171 -2.120 -13.660 442 H VAL 59 HN VAL 59 0.110 -5.689 -12.506 443 HA VAL 59 HA VAL 59 -1.674 -7.774 -13.647 444 HB VAL 59 HB VAL 59 -1.569 -8.955 -11.434 445 HG11 VAL 59 1HG1 VAL 59 0.574 -10.078 -11.863 446 HG12 VAL 59 2HG1 VAL 59 -0.317 -9.773 -13.372 447 HG13 VAL 59 3HG1 VAL 59 1.062 -8.739 -12.925 448 HG21 VAL 59 3HG2 VAL 59 -0.726 -7.096 -10.075 449 HG22 VAL 59 1HG2 VAL 59 0.335 -8.517 -9.937 450 HG23 VAL 59 2HG2 VAL 59 0.818 -7.143 -10.959 451 H LYS 60 HN LYS 60 -3.740 -7.945 -12.687 452 HA LYS 60 HA LYS 60 -4.548 -5.484 -11.245 453 HB2 LYS 60 2HB LYS 60 -5.802 -6.120 -13.286 454 HB3 LYS 60 3HB LYS 60 -6.246 -7.660 -12.512 455 HG2 LYS 60 2HG LYS 60 -8.096 -6.584 -11.853 456 HG3 LYS 60 3HG LYS 60 -7.046 -5.816 -10.638 457 HD2 LYS 60 2HD LYS 60 -8.280 -4.083 -11.741 458 HD3 LYS 60 3HD LYS 60 -6.593 -3.990 -12.298 459 HE2 LYS 60 2HE LYS 60 -7.162 -5.097 -14.376 460 HE3 LYS 60 3HE LYS 60 -8.820 -5.395 -13.812 461 HZ1 LYS 60 3HZ LYS 60 -7.628 -2.746 -14.301 462 HZ2 LYS 60 1HZ LYS 60 -8.709 -3.508 -15.284 463 HZ3 LYS 60 2HZ LYS 60 -9.166 -3.023 -13.777 464 H VAL 61 HN VAL 61 -4.666 -5.570 -9.126 465 HA VAL 61 HA VAL 61 -5.440 -8.138 -7.849 466 HB VAL 61 HB VAL 61 -3.189 -6.305 -6.926 467 HG11 VAL 61 1HG1 VAL 61 -2.806 -7.980 -5.164 468 HG12 VAL 61 2HG1 VAL 61 -4.435 -7.275 -5.049 469 HG13 VAL 61 3HG1 VAL 61 -4.215 -8.902 -5.737 470 HG21 VAL 61 3HG2 VAL 61 -2.540 -7.679 -8.847 471 HG22 VAL 61 1HG2 VAL 61 -1.705 -8.215 -7.372 472 HG23 VAL 61 2HG2 VAL 61 -3.089 -9.141 -7.995 473 H ASP 62 HN ASP 62 -7.200 -7.840 -6.717 474 HA ASP 62 HA ASP 62 -8.691 -6.998 -5.211 475 HB2 ASP 62 2HB ASP 62 -6.485 -6.385 -3.991 476 HB3 ASP 62 3HB ASP 62 -6.817 -4.729 -4.543 477 HD2 ASP 62 2HD ASP 62 -9.158 -4.284 -2.072 478 H GLY 63 HN GLY 63 -7.927 -5.710 -8.028 479 HA2 GLY 63 1HA GLY 63 -9.733 -4.541 -9.180 480 HA3 GLY 63 2HA GLY 63 -9.952 -3.546 -7.722 481 H GLU 64 HN GLU 64 -6.893 -3.516 -7.496 482 HA GLU 64 HA GLU 64 -6.568 -1.196 -9.306 483 HB2 GLU 64 2HB GLU 64 -5.152 -2.115 -6.798 484 HB3 GLU 64 3HB GLU 64 -4.500 -0.831 -7.846 485 HG2 GLU 64 2HG GLU 64 -7.247 -0.764 -6.578 486 HG3 GLU 64 3HG GLU 64 -5.799 -0.016 -5.869 487 HE2 GLU 64 2HE GLU 64 -7.529 1.749 -8.971 488 H THR 65 HN THR 65 -4.593 -0.902 -10.479 489 HA THR 65 HA THR 65 -3.459 -3.502 -11.344 490 HB THR 65 HB THR 65 -3.066 -0.822 -12.704 491 HG1 THR 65 1HG THR 65 -4.911 -1.428 -13.965 492 HG21 THR 65 3HG2 THR 65 -3.060 -3.692 -13.714 493 HG22 THR 65 1HG2 THR 65 -2.766 -2.243 -14.702 494 HG23 THR 65 2HG2 THR 65 -1.621 -2.688 -13.416 495 H TRP 66 HN TRP 66 -1.545 -4.067 -10.579 496 HA TRP 66 HA TRP 66 0.275 -1.898 -9.645 497 HB2 TRP 66 2HB TRP 66 0.034 -4.736 -8.587 498 HB3 TRP 66 3HB TRP 66 1.125 -3.482 -7.984 499 HD1 TRP 66 1HD TRP 66 -2.473 -4.697 -7.728 500 HE1 TRP 66 1HE TRP 66 -3.722 -3.378 -5.928 501 HE3 TRP 66 3HE TRP 66 1.046 -1.088 -6.898 502 HZ2 TRP 66 2HZ TRP 66 -3.242 -1.063 -4.349 503 HZ3 TRP 66 3HZ TRP 66 0.573 0.662 -5.232 504 HH2 TRP 66 2HH TRP 66 -1.536 0.663 -3.962 505 H ARG 67 HN ARG 67 2.601 -2.521 -9.680 506 HA ARG 67 HA ARG 67 3.215 -3.956 -12.162 507 HB2 ARG 67 2HB ARG 67 5.109 -2.701 -10.153 508 HB3 ARG 67 3HB ARG 67 5.512 -3.278 -11.789 509 HG2 ARG 67 2HG ARG 67 5.386 -0.968 -12.036 510 HG3 ARG 67 3HG ARG 67 3.793 -1.530 -12.597 511 HD2 ARG 67 2HD ARG 67 2.803 -0.994 -10.454 512 HD3 ARG 67 3HD ARG 67 4.391 -0.552 -9.794 513 HE ARG 67 HE ARG 67 3.461 0.949 -12.145 514 HH11 ARG 67 2HH1 ARG 67 3.948 0.811 -8.655 515 HH12 ARG 67 1HH1 ARG 67 3.751 2.535 -8.437 516 HH21 ARG 67 2HH2 ARG 67 3.165 3.177 -11.849 517 HH22 ARG 67 1HH2 ARG 67 3.305 3.878 -10.252 518 H ALA 68 HN ALA 68 4.487 -5.821 -12.255 519 HA ALA 68 HA ALA 68 4.789 -7.239 -9.672 520 HB1 ALA 68 1HB ALA 68 3.827 -9.278 -10.655 521 HB2 ALA 68 2HB ALA 68 2.652 -7.944 -10.644 522 HB3 ALA 68 3HB ALA 68 3.481 -8.387 -12.155 523 H THR 69 HN THR 69 6.479 -8.547 -9.488 524 HA THR 69 HA THR 69 8.235 -8.830 -11.873 525 HB THR 69 HB THR 69 10.093 -9.045 -10.092 526 HG1 THR 69 1HG THR 69 9.581 -7.943 -8.126 527 HG21 THR 69 3HG2 THR 69 8.699 -6.371 -10.437 528 HG22 THR 69 1HG2 THR 69 10.391 -6.604 -9.942 529 HG23 THR 69 2HG2 THR 69 9.867 -7.096 -11.568 530 H SER 70 HN SER 70 8.825 -10.838 -12.435 531 HA SER 70 HA SER 70 8.646 -13.006 -10.451 532 HB2 SER 70 2HB SER 70 6.391 -12.828 -11.572 533 HB3 SER 70 3HB SER 70 7.200 -13.159 -13.122 534 HG SER 70 HG SER 70 6.338 -15.056 -12.145 535 H GLY 71 HN GLY 71 9.995 -14.737 -10.928 536 HA2 GLY 71 1HA GLY 71 11.920 -14.269 -13.095 537 HA3 GLY 71 2HA GLY 71 11.995 -15.533 -11.847 538 H THR 72 HN THR 72 9.238 -14.758 -13.936 539 HA THR 72 HA THR 72 9.686 -17.240 -15.476 540 HB THR 72 HB THR 72 6.888 -16.854 -14.552 541 HG1 THR 72 1HG THR 72 7.358 -17.838 -12.512 542 HG21 THR 72 3HG2 THR 72 8.736 -19.267 -14.675 543 HG22 THR 72 1HG2 THR 72 6.986 -19.316 -14.369 544 HG23 THR 72 2HG2 THR 72 7.596 -18.761 -15.944 545 H VAL 73 HN VAL 73 8.196 -17.372 -17.355 546 HA VAL 73 HA VAL 73 7.571 -14.671 -18.340 547 HB VAL 73 HB VAL 73 8.785 -16.055 -19.883 548 HG11 VAL 73 1HG1 VAL 73 7.926 -18.185 -20.755 549 HG12 VAL 73 2HG1 VAL 73 8.191 -18.255 -18.999 550 HG13 VAL 73 3HG1 VAL 73 6.542 -18.078 -19.643 551 HG21 VAL 73 3HG2 VAL 73 7.101 -14.559 -20.839 552 HG22 VAL 73 1HG2 VAL 73 7.284 -16.023 -21.831 553 HG23 VAL 73 2HG2 VAL 73 5.885 -15.855 -20.746 554 H LEU 74 HN LEU 74 5.679 -13.853 -17.778 555 HA LEU 74 HA LEU 74 3.383 -15.726 -17.481 556 HB2 LEU 74 2HB LEU 74 3.721 -12.917 -16.396 557 HB3 LEU 74 3HB LEU 74 2.388 -14.044 -16.050 558 HG LEU 74 HG LEU 74 5.285 -14.447 -15.266 559 HD11 LEU 74 1HD1 LEU 74 4.512 -14.011 -12.970 560 HD12 LEU 74 2HD1 LEU 74 4.240 -12.607 -14.028 561 HD13 LEU 74 3HD1 LEU 74 2.880 -13.667 -13.589 562 HD21 LEU 74 3HD2 LEU 74 4.082 -16.551 -15.643 563 HD22 LEU 74 1HD2 LEU 74 4.422 -16.314 -13.915 564 HD23 LEU 74 2HD2 LEU 74 2.787 -16.014 -14.547 565 H ASP 75 HN ASP 75 1.856 -15.686 -18.954 566 HA ASP 75 HA ASP 75 1.954 -13.651 -21.043 567 HB2 ASP 75 2HB ASP 75 0.281 -16.139 -20.621 568 HB3 ASP 75 3HB ASP 75 0.006 -15.014 -21.970 569 HD2 ASP 75 2HD ASP 75 2.885 -16.085 -23.613 570 H VAL 76 HN VAL 76 -0.108 -12.707 -21.863 571 HA VAL 76 HA VAL 76 -1.321 -11.217 -19.711 572 HB VAL 76 HB VAL 76 -2.087 -11.330 -22.654 573 HG11 VAL 76 1HG1 VAL 76 -3.084 -9.114 -22.255 574 HG12 VAL 76 2HG1 VAL 76 -3.835 -10.360 -21.233 575 HG13 VAL 76 3HG1 VAL 76 -2.650 -9.230 -20.535 576 HG21 VAL 76 3HG2 VAL 76 0.266 -10.723 -22.352 577 HG22 VAL 76 1HG2 VAL 76 -0.688 -9.326 -22.907 578 HG23 VAL 76 2HG2 VAL 76 -0.204 -9.450 -21.199 579 H GLY 77 HN GLY 77 -3.247 -11.514 -18.712 580 HA2 GLY 77 1HA GLY 77 -5.494 -12.225 -18.608 581 HA3 GLY 77 2HA GLY 77 -5.200 -13.335 -19.966 582 H GLU 78 HN GLU 78 -2.593 -13.960 -18.249 583 HA GLU 78 HA GLU 78 -3.678 -16.380 -17.161 584 HB2 GLU 78 2HB GLU 78 -0.988 -15.025 -16.964 585 HB3 GLU 78 3HB GLU 78 -1.348 -16.585 -16.186 586 HG2 GLU 78 2HG GLU 78 -1.409 -15.948 -19.134 587 HG3 GLU 78 3HG GLU 78 -0.238 -16.969 -18.274 588 HE2 GLU 78 2HE GLU 78 -2.551 -19.605 -18.068 589 H GLU 79 HN GLU 79 -3.021 -17.059 -14.899 590 HA GLU 79 HA GLU 79 -3.888 -14.905 -13.030 591 HB2 GLU 79 2HB GLU 79 -4.389 -17.887 -12.777 592 HB3 GLU 79 3HB GLU 79 -5.006 -16.600 -11.715 593 HG2 GLU 79 2HG GLU 79 -6.215 -15.664 -13.721 594 HG3 GLU 79 3HG GLU 79 -5.748 -17.135 -14.602 595 HE2 GLU 79 2HE GLU 79 -8.930 -17.284 -12.429 596 H VAL 80 HN VAL 80 -2.587 -14.448 -11.362 597 HA VAL 80 HA VAL 80 -0.313 -16.320 -10.929 598 HB VAL 80 HB VAL 80 1.062 -14.305 -10.347 599 HG11 VAL 80 1HG1 VAL 80 1.469 -13.632 -12.677 600 HG12 VAL 80 2HG1 VAL 80 1.230 -15.390 -12.539 601 HG13 VAL 80 3HG1 VAL 80 -0.083 -14.359 -13.155 602 HG21 VAL 80 3HG2 VAL 80 -0.768 -12.752 -9.845 603 HG22 VAL 80 1HG2 VAL 80 0.303 -12.090 -11.101 604 HG23 VAL 80 2HG2 VAL 80 -1.272 -12.785 -11.552 605 H SER 81 HN SER 81 0.525 -16.526 -8.851 606 HA SER 81 HA SER 81 -1.392 -15.811 -6.716 607 HB2 SER 81 2HB SER 81 1.090 -17.557 -6.558 608 HB3 SER 81 3HB SER 81 -0.257 -17.475 -5.398 609 HG SER 81 HG SER 81 -0.404 -19.286 -6.805 610 H VAL 82 HN VAL 82 -1.024 -14.092 -5.442 611 HA VAL 82 HA VAL 82 1.564 -12.735 -5.600 612 HB VAL 82 HB VAL 82 -0.852 -12.053 -3.878 613 HG11 VAL 82 1HG1 VAL 82 0.128 -9.796 -3.810 614 HG12 VAL 82 2HG1 VAL 82 1.239 -11.009 -3.133 615 HG13 VAL 82 3HG1 VAL 82 1.511 -10.368 -4.771 616 HG21 VAL 82 3HG2 VAL 82 -1.466 -12.104 -6.250 617 HG22 VAL 82 1HG2 VAL 82 -1.452 -10.436 -5.633 618 HG23 VAL 82 2HG2 VAL 82 -0.104 -11.023 -6.633 619 H LYS 83 HN LYS 83 3.230 -13.345 -4.355 620 HA LYS 83 HA LYS 83 2.589 -14.814 -1.870 621 HB2 LYS 83 2HB LYS 83 4.908 -14.794 -3.776 622 HB3 LYS 83 3HB LYS 83 5.110 -15.393 -2.112 623 HG2 LYS 83 2HG LYS 83 3.243 -16.983 -2.500 624 HG3 LYS 83 3HG LYS 83 3.162 -16.430 -4.190 625 HD2 LYS 83 2HD LYS 83 5.471 -17.148 -4.545 626 HD3 LYS 83 3HD LYS 83 5.573 -17.680 -2.849 627 HE2 LYS 83 2HE LYS 83 3.667 -18.774 -4.943 628 HE3 LYS 83 3HE LYS 83 5.157 -19.564 -4.384 629 HZ1 LYS 83 3HZ LYS 83 2.818 -18.931 -2.705 630 HZ2 LYS 83 1HZ LYS 83 3.220 -20.428 -3.266 631 HZ3 LYS 83 2HZ LYS 83 4.202 -19.665 -2.185 632 H ALA 84 HN ALA 84 4.451 -12.024 -3.094 633 HA ALA 84 HA ALA 84 4.623 -11.028 -0.345 634 HB1 ALA 84 1HB ALA 84 7.072 -10.771 -0.378 635 HB2 ALA 84 2HB ALA 84 6.599 -12.482 -0.482 636 HB3 ALA 84 3HB ALA 84 7.140 -11.617 -1.941 637 H ILE 85 HN ILE 85 5.530 -8.848 -0.227 638 HA ILE 85 HA ILE 85 5.082 -7.351 -2.761 639 HB ILE 85 HB ILE 85 5.189 -6.248 0.074 640 HG12 ILE 85 2HG1 ILE 85 3.349 -7.853 -0.075 641 HG13 ILE 85 3HG1 ILE 85 2.746 -6.184 0.050 642 HG21 ILE 85 1HG2 ILE 85 4.063 -4.300 -0.924 643 HG22 ILE 85 2HG2 ILE 85 5.620 -4.629 -1.719 644 HG23 ILE 85 3HG2 ILE 85 4.098 -5.097 -2.515 645 HD11 ILE 85 3HD1 ILE 85 2.915 -7.830 -2.483 646 HD12 ILE 85 1HD1 ILE 85 1.433 -7.488 -1.567 647 HD13 ILE 85 2HD1 ILE 85 2.310 -6.161 -2.358 648 H GLU 86 HN GLU 86 6.765 -6.210 -3.654 649 HA GLU 86 HA GLU 86 9.205 -5.933 -1.976 650 HB2 GLU 86 2HB GLU 86 9.470 -7.771 -3.619 651 HB3 GLU 86 3HB GLU 86 9.144 -6.613 -4.931 652 HG2 GLU 86 2HG GLU 86 11.133 -5.360 -4.385 653 HG3 GLU 86 3HG GLU 86 11.426 -6.373 -2.956 654 HE2 GLU 86 2HE GLU 86 12.656 -8.992 -4.942 655 H GLY 87 HN GLY 87 8.840 -3.811 -1.458 656 HA2 GLY 87 1HA GLY 87 8.931 -1.543 -1.769 657 HA3 GLY 87 2HA GLY 87 9.666 -1.864 -3.356 658 H VAL 88 HN VAL 88 8.598 -1.122 -5.039 659 HA VAL 88 HA VAL 88 5.720 -0.504 -4.714 660 HB VAL 88 HB VAL 88 6.000 0.822 -6.806 661 HG11 VAL 88 1HG1 VAL 88 7.353 2.624 -5.818 662 HG12 VAL 88 2HG1 VAL 88 6.274 1.884 -4.613 663 HG13 VAL 88 3HG1 VAL 88 8.006 1.476 -4.625 664 HG21 VAL 88 3HG2 VAL 88 7.824 -0.474 -7.818 665 HG22 VAL 88 1HG2 VAL 88 8.259 1.246 -7.693 666 HG23 VAL 88 2HG2 VAL 88 8.932 0.074 -6.536 667 H LYS 89 HN LYS 89 7.247 -3.164 -5.422 668 HA LYS 89 HA LYS 89 5.601 -3.810 -7.830 669 HB2 LYS 89 2HB LYS 89 8.193 -5.145 -7.003 670 HB3 LYS 89 3HB LYS 89 7.321 -5.301 -8.547 671 HG2 LYS 89 2HG LYS 89 7.958 -3.125 -9.238 672 HG3 LYS 89 3HG LYS 89 8.535 -2.697 -7.609 673 HD2 LYS 89 2HD LYS 89 9.751 -4.742 -9.497 674 HD3 LYS 89 3HD LYS 89 10.438 -3.164 -9.044 675 HE2 LYS 89 2HE LYS 89 10.543 -3.922 -6.684 676 HE3 LYS 89 3HE LYS 89 9.942 -5.516 -7.192 677 HZ1 LYS 89 3HZ LYS 89 12.452 -4.267 -8.087 678 HZ2 LYS 89 1HZ LYS 89 12.326 -5.490 -6.988 679 HZ3 LYS 89 2HZ LYS 89 11.894 -5.746 -8.558 680 H LEU 90 HN LEU 90 4.763 -5.989 -7.914 681 HA LEU 90 HA LEU 90 4.556 -7.231 -5.222 682 HB2 LEU 90 2HB LEU 90 2.921 -7.855 -7.691 683 HB3 LEU 90 3HB LEU 90 2.609 -8.372 -6.016 684 HG LEU 90 HG LEU 90 2.353 -5.583 -7.156 685 HD11 LEU 90 1HD1 LEU 90 -0.025 -5.867 -6.588 686 HD12 LEU 90 2HD1 LEU 90 0.526 -7.116 -7.728 687 HD13 LEU 90 3HD1 LEU 90 0.313 -7.513 -6.006 688 HD21 LEU 90 3HD2 LEU 90 3.250 -5.487 -4.881 689 HD22 LEU 90 1HD2 LEU 90 1.568 -4.911 -4.926 690 HD23 LEU 90 2HD2 LEU 90 1.931 -6.538 -4.310 691 H VAL 91 HN VAL 91 5.150 -9.337 -4.881 692 HA VAL 91 HA VAL 91 6.755 -10.576 -7.033 693 HB VAL 91 HB VAL 91 6.479 -11.379 -4.112 694 HG11 VAL 91 1HG1 VAL 91 8.465 -12.768 -4.537 695 HG12 VAL 91 2HG1 VAL 91 7.104 -13.242 -5.578 696 HG13 VAL 91 3HG1 VAL 91 8.442 -12.276 -6.246 697 HG21 VAL 91 3HG2 VAL 91 7.526 -9.174 -4.353 698 HG22 VAL 91 1HG2 VAL 91 8.712 -10.388 -3.821 699 HG23 VAL 91 2HG2 VAL 91 8.693 -9.848 -5.515 700 H VAL 92 HN VAL 92 5.563 -11.759 -8.390 701 HA VAL 92 HA VAL 92 3.477 -13.497 -7.182 702 HB VAL 92 HB VAL 92 2.108 -13.173 -9.215 703 HG11 VAL 92 1HG1 VAL 92 1.331 -10.891 -8.737 704 HG12 VAL 92 2HG1 VAL 92 1.676 -11.792 -7.242 705 HG13 VAL 92 3HG1 VAL 92 2.830 -10.573 -7.834 706 HG21 VAL 92 3HG2 VAL 92 3.904 -12.619 -10.785 707 HG22 VAL 92 1HG2 VAL 92 2.634 -11.374 -10.808 708 HG23 VAL 92 2HG2 VAL 92 4.164 -11.068 -9.953 709 H GLU 93 HN GLU 93 3.022 -15.454 -8.255 710 HA GLU 93 HA GLU 93 4.905 -16.216 -10.424 711 HB2 GLU 93 2HB GLU 93 4.255 -17.858 -7.957 712 HB3 GLU 93 3HB GLU 93 5.086 -18.483 -9.402 713 HG2 GLU 93 2HG GLU 93 6.881 -16.805 -9.038 714 HG3 GLU 93 3HG GLU 93 6.070 -16.310 -7.537 715 HE2 GLU 93 2HE GLU 93 8.135 -19.688 -7.571 716 H LYS 94 HN LYS 94 4.090 -18.282 -11.526 717 HA LYS 94 HA LYS 94 1.387 -17.728 -12.335 718 HB2 LYS 94 2HB LYS 94 3.153 -18.643 -13.838 719 HB3 LYS 94 3HB LYS 94 3.099 -20.169 -12.924 720 HG2 LYS 94 2HG LYS 94 0.501 -19.966 -13.518 721 HG3 LYS 94 3HG LYS 94 1.162 -19.032 -14.882 722 HD2 LYS 94 2HD LYS 94 2.495 -20.890 -15.605 723 HD3 LYS 94 3HD LYS 94 2.109 -21.812 -14.132 724 HE2 LYS 94 2HE LYS 94 -0.318 -21.703 -14.822 725 HE3 LYS 94 3HE LYS 94 0.224 -21.023 -16.371 726 HZ1 LYS 94 3HZ LYS 94 0.984 -23.654 -15.295 727 HZ2 LYS 94 1HZ LYS 94 -0.103 -23.389 -16.505 728 HZ3 LYS 94 2HZ LYS 94 1.487 -23.022 -16.733 729 H LEU 95 HN LEU 95 -0.520 -18.861 -11.975 730 HA LEU 95 HA LEU 95 -0.761 -20.537 -9.660 731 HB2 LEU 95 2HB LEU 95 -2.493 -19.505 -11.789 732 HB3 LEU 95 3HB LEU 95 -2.936 -21.142 -11.249 733 HG LEU 95 HG LEU 95 -4.234 -19.566 -10.020 734 HD11 LEU 95 1HD1 LEU 95 -3.583 -20.076 -7.706 735 HD12 LEU 95 2HD1 LEU 95 -3.414 -21.498 -8.761 736 HD13 LEU 95 3HD1 LEU 95 -1.973 -20.574 -8.272 737 HD21 LEU 95 3HD2 LEU 95 -2.837 -17.593 -10.353 738 HD22 LEU 95 1HD2 LEU 95 -3.248 -17.800 -8.636 739 HD23 LEU 95 2HD2 LEU 95 -1.630 -18.249 -9.221 740 H GLU 96 HN GLU 96 -2.125 -22.733 -10.171 741 HA GLU 96 HA GLU 96 -1.885 -24.936 -10.704 742 HB2 GLU 96 2HB GLU 96 -2.179 -24.183 -13.034 743 HB3 GLU 96 3HB GLU 96 -0.423 -23.926 -13.165 744 HG2 GLU 96 2HG GLU 96 -0.093 -26.357 -12.714 745 HG3 GLU 96 3HG GLU 96 -1.858 -26.563 -12.756 746 HE2 GLU 96 2HE GLU 96 -1.796 -26.784 -16.174 747 H GLU 97 HN GLU 97 -0.401 -24.445 -8.735 748 HA GLU 97 HA GLU 97 2.430 -24.830 -9.270 749 HB2 GLU 97 2HB GLU 97 2.517 -25.093 -6.745 750 HB3 GLU 97 3HB GLU 97 1.974 -23.521 -7.381 751 HG2 GLU 97 2HG GLU 97 -0.381 -24.259 -6.992 752 HG3 GLU 97 3HG GLU 97 0.257 -25.717 -6.201 753 HE2 GLU 97 2HE GLU 97 -0.244 -23.426 -3.515 754 H GLN 98 HN GLN 98 2.769 -26.695 -10.321 755 HA GLN 98 HA GLN 98 1.350 -29.117 -9.668 756 HB2 GLN 98 2HB GLN 98 2.144 -28.618 -11.936 757 HB3 GLN 98 3HB GLN 98 3.828 -28.657 -11.361 758 HG2 GLN 98 2HG GLN 98 3.608 -31.013 -10.798 759 HG3 GLN 98 3HG GLN 98 1.899 -30.990 -11.288 760 HE21 GLN 98 1HE2 GLN 98 1.350 -30.851 -13.485 761 HE22 GLN 98 2HE2 GLN 98 2.514 -31.212 -14.743 762 H LYS 99 HN LYS 99 1.811 -30.667 -8.297 763 HA LYS 99 HA LYS 99 2.826 -31.853 -6.657 764 HB2 LYS 99 2HB LYS 99 5.304 -31.203 -8.278 765 HB3 LYS 99 3HB LYS 99 5.233 -32.399 -6.962 766 HG2 LYS 99 2HG LYS 99 3.559 -33.679 -8.207 767 HG3 LYS 99 3HG LYS 99 3.614 -32.480 -9.521 768 HD2 LYS 99 2HD LYS 99 4.981 -34.241 -10.260 769 HD3 LYS 99 3HD LYS 99 6.115 -33.003 -9.671 770 HE2 LYS 99 2HE LYS 99 5.188 -35.331 -7.972 771 HE3 LYS 99 3HE LYS 99 6.619 -35.411 -9.020 772 HZ1 LYS 99 3HZ LYS 99 6.217 -33.505 -6.814 773 HZ2 LYS 99 1HZ LYS 99 7.198 -34.828 -6.771 774 HZ3 LYS 99 2HZ LYS 99 7.547 -33.579 -7.788 775 H GLY 100 HN GLY 100 2.110 -29.693 -5.532 776 HA2 GLY 100 1HA GLY 100 4.322 -28.222 -4.358 777 HA3 GLY 100 2HA GLY 100 2.613 -28.158 -3.873 778 H SER 101 HN SER 101 5.615 -30.005 -3.648 779 HA SER 101 HA SER 101 6.395 -31.518 -2.141 780 HB2 SER 101 2HB SER 101 5.788 -29.678 -0.511 781 HB3 SER 101 3HB SER 101 4.250 -30.532 -0.229 782 HG SER 101 HG SER 101 5.879 -31.106 1.292 Start of MODEL 15 1 H1 MET 1 HN MET 1 12.067 -63.266 66.900 2 HA MET 1 HA MET 1 9.421 -62.491 66.207 3 HB2 MET 1 2HB MET 1 10.301 -61.650 68.988 4 HB3 MET 1 3HB MET 1 8.961 -60.903 68.085 5 HG2 MET 1 2HG MET 1 7.776 -63.044 68.061 6 HG3 MET 1 3HG MET 1 9.115 -63.807 68.935 7 HE1 MET 1 3HE MET 1 7.415 -64.689 70.782 8 HE2 MET 1 1HE MET 1 6.265 -63.647 71.649 9 HE3 MET 1 2HE MET 1 6.068 -63.924 69.905 10 H GLY 2 HN GLY 2 9.253 -60.007 66.033 11 HA2 GLY 2 1HA GLY 2 11.862 -58.678 65.924 12 HA3 GLY 2 2HA GLY 2 11.088 -58.989 64.354 13 H SER 3 HN SER 3 11.532 -56.731 66.702 14 HA SER 3 HA SER 3 8.880 -55.483 66.489 15 HB2 SER 3 2HB SER 3 10.158 -55.452 68.624 16 HB3 SER 3 3HB SER 3 11.442 -54.515 67.820 17 HG SER 3 HG SER 3 9.963 -53.188 68.975 18 H SER 4 HN SER 4 8.659 -53.250 65.729 19 HA SER 4 HA SER 4 9.896 -52.964 63.144 20 HB2 SER 4 2HB SER 4 8.167 -51.040 64.741 21 HB3 SER 4 3HB SER 4 8.545 -50.914 63.006 22 HG SER 4 HG SER 4 6.519 -51.925 63.404 23 H HIS 5 HN HIS 5 11.828 -52.149 62.719 24 HA HIS 5 HA HIS 5 12.978 -50.209 64.657 25 HB2 HIS 5 2HB HIS 5 14.224 -52.070 62.627 26 HB3 HIS 5 3HB HIS 5 15.125 -50.725 63.349 27 HD1 HIS 5 1HD HIS 5 16.773 -52.242 64.580 28 HD2 HIS 5 2HD HIS 5 12.779 -52.924 65.593 29 HE1 HIS 5 1HE HIS 5 16.811 -53.737 66.623 30 HE2 HIS 5 2HE HIS 5 14.381 -54.146 67.241 31 H HIS 6 HN HIS 6 13.230 -50.832 61.122 32 HA HIS 6 HA HIS 6 13.458 -47.917 60.714 33 HB2 HIS 6 2HB HIS 6 15.111 -49.375 59.647 34 HB3 HIS 6 3HB HIS 6 13.819 -50.266 58.822 35 HD1 HIS 6 1HD HIS 6 13.125 -49.434 56.577 36 HD2 HIS 6 2HD HIS 6 15.309 -46.588 58.716 37 HE1 HIS 6 1HE HIS 6 13.550 -47.520 54.976 38 HE2 HIS 6 2HE HIS 6 14.865 -45.787 56.280 39 H HIS 7 HN HIS 7 11.912 -46.676 59.895 40 HA HIS 7 HA HIS 7 9.747 -47.948 58.319 41 HB2 HIS 7 2HB HIS 7 9.459 -46.270 60.783 42 HB3 HIS 7 3HB HIS 7 8.296 -46.036 59.465 43 HD1 HIS 7 1HD HIS 7 8.065 -47.472 62.480 44 HD2 HIS 7 2HD HIS 7 7.792 -49.182 58.675 45 HE1 HIS 7 1HE HIS 7 6.700 -49.590 62.751 46 HE2 HIS 7 2HE HIS 7 6.535 -50.622 60.441 47 H HIS 8 HN HIS 8 9.888 -47.080 56.349 48 HA HIS 8 HA HIS 8 11.110 -44.486 55.943 49 HB2 HIS 8 2HB HIS 8 10.722 -44.818 53.611 50 HB3 HIS 8 3HB HIS 8 11.242 -46.369 54.298 51 HD1 HIS 8 1HD HIS 8 9.363 -48.230 54.571 52 HD2 HIS 8 2HD HIS 8 8.268 -44.874 52.335 53 HE1 HIS 8 1HE HIS 8 7.293 -48.891 53.271 54 HE2 HIS 8 2HE HIS 8 6.629 -46.853 51.913 55 H HIS 9 HN HIS 9 10.182 -42.525 55.686 56 HA HIS 9 HA HIS 9 7.203 -42.480 55.741 57 HB2 HIS 9 2HB HIS 9 8.227 -41.660 57.849 58 HB3 HIS 9 3HB HIS 9 9.103 -40.428 56.922 59 HD1 HIS 9 1HD HIS 9 7.952 -38.230 56.705 60 HD2 HIS 9 2HD HIS 9 5.281 -41.335 57.529 61 HE1 HIS 9 1HE HIS 9 5.675 -37.150 56.984 62 HE2 HIS 9 2HE HIS 9 4.058 -39.040 57.481 63 H HIS 10 HN HIS 10 6.425 -41.896 53.866 64 HA HIS 10 HA HIS 10 7.996 -40.344 51.966 65 HB2 HIS 10 2HB HIS 10 6.530 -42.139 51.193 66 HB3 HIS 10 3HB HIS 10 5.127 -41.343 51.929 67 HD1 HIS 10 1HD HIS 10 3.910 -39.635 50.562 68 HD2 HIS 10 2HD HIS 10 7.580 -40.709 48.887 69 HE1 HIS 10 1HE HIS 10 3.968 -38.583 48.262 70 HE2 HIS 10 2HE HIS 10 6.199 -39.238 47.241 71 H SER 11 HN SER 11 7.900 -38.205 51.608 72 HA SER 11 HA SER 11 5.809 -36.692 53.093 73 HB2 SER 11 2HB SER 11 7.584 -34.839 53.091 74 HB3 SER 11 3HB SER 11 7.860 -36.222 54.177 75 HG SER 11 HG SER 11 9.734 -35.651 52.967 76 H SER 12 HN SER 12 4.801 -35.000 52.065 77 HA SER 12 HA SER 12 5.241 -34.897 49.129 78 HB2 SER 12 2HB SER 12 2.946 -33.718 49.239 79 HB3 SER 12 3HB SER 12 2.999 -35.469 49.562 80 HG SER 12 HG SER 12 1.746 -34.315 51.109 81 H GLY 13 HN GLY 13 6.521 -33.285 48.468 82 HA2 GLY 13 1HA GLY 13 6.032 -30.598 49.569 83 HA3 GLY 13 2HA GLY 13 7.659 -31.279 49.798 84 H ARG 14 HN ARG 14 7.877 -29.104 48.566 85 HA ARG 14 HA ARG 14 8.700 -28.085 46.706 86 HB2 ARG 14 2HB ARG 14 9.771 -30.427 46.415 87 HB3 ARG 14 3HB ARG 14 8.537 -30.665 45.154 88 HG2 ARG 14 2HG ARG 14 10.389 -28.286 45.130 89 HG3 ARG 14 3HG ARG 14 10.869 -29.857 44.443 90 HD2 ARG 14 2HD ARG 14 8.411 -28.276 43.627 91 HD3 ARG 14 3HD ARG 14 9.959 -28.276 42.754 92 HE ARG 14 HE ARG 14 8.208 -30.668 43.099 93 HH11 ARG 14 2HH1 ARG 14 10.476 -28.721 41.244 94 HH12 ARG 14 1HH1 ARG 14 10.511 -29.824 39.886 95 HH21 ARG 14 2HH2 ARG 14 8.270 -32.116 41.330 96 HH22 ARG 14 1HH2 ARG 14 9.260 -31.749 39.935 97 H GLU 15 HN GLU 15 6.819 -26.848 46.562 98 HA GLU 15 HA GLU 15 4.898 -27.756 44.476 99 HB2 GLU 15 2HB GLU 15 4.589 -25.840 46.800 100 HB3 GLU 15 3HB GLU 15 3.434 -25.903 45.449 101 HG2 GLU 15 2HG GLU 15 2.498 -27.184 47.196 102 HG3 GLU 15 3HG GLU 15 3.097 -28.340 45.987 103 HE2 GLU 15 2HE GLU 15 5.277 -28.120 49.314 104 H ASN 16 HN ASN 16 4.055 -26.139 43.033 105 HA ASN 16 HA ASN 16 5.340 -23.508 42.965 106 HB2 ASN 16 2HB ASN 16 6.889 -24.892 41.616 107 HB3 ASN 16 3HB ASN 16 5.531 -25.386 40.583 108 HD21 ASN 16 1HD2 ASN 16 6.454 -24.504 38.712 109 HD22 ASN 16 2HD2 ASN 16 6.549 -22.775 38.447 110 H LEU 17 HN LEU 17 3.475 -22.391 43.112 111 HA LEU 17 HA LEU 17 1.191 -23.381 41.475 112 HB2 LEU 17 2HB LEU 17 1.185 -21.816 44.074 113 HB3 LEU 17 3HB LEU 17 -0.255 -22.339 43.168 114 HG LEU 17 HG LEU 17 1.785 -24.187 44.431 115 HD11 LEU 17 1HD1 LEU 17 0.031 -24.656 46.093 116 HD12 LEU 17 2HD1 LEU 17 0.510 -22.944 46.117 117 HD13 LEU 17 3HD1 LEU 17 -1.013 -23.433 45.334 118 HD21 LEU 17 3HD2 LEU 17 0.671 -25.146 42.467 119 HD22 LEU 17 1HD2 LEU 17 0.129 -25.946 43.960 120 HD23 LEU 17 2HD2 LEU 17 -0.917 -24.746 43.164 121 H TYR 18 HN TYR 18 3.493 -21.132 41.232 122 HA TYR 18 HA TYR 18 1.576 -18.956 40.576 123 HB2 TYR 18 2HB TYR 18 3.573 -18.643 42.236 124 HB3 TYR 18 3HB TYR 18 4.556 -18.565 40.764 125 HD1 TYR 18 1HD TYR 18 3.880 -16.804 38.980 126 HD2 TYR 18 2HD TYR 18 2.408 -16.735 42.981 127 HE1 TYR 18 1HE TYR 18 3.243 -14.447 38.707 128 HE2 TYR 18 2HE TYR 18 1.782 -14.376 42.711 129 HH TYR 18 HH TYR 18 1.716 -12.575 41.327 130 H PHE 19 HN PHE 19 1.087 -18.705 38.553 131 HA PHE 19 HA PHE 19 3.139 -18.521 36.529 132 HB2 PHE 19 2HB PHE 19 2.799 -20.977 36.581 133 HB3 PHE 19 3HB PHE 19 1.073 -20.730 36.261 134 HD1 PHE 19 1HD PHE 19 4.460 -20.084 34.842 135 HD2 PHE 19 2HD PHE 19 0.299 -20.549 34.049 136 HE1 PHE 19 1HE PHE 19 4.917 -20.058 32.428 137 HE2 PHE 19 2HE PHE 19 0.756 -20.527 31.635 138 HZ PHE 19 HZ PHE 19 3.067 -20.278 30.821 139 H GLN 20 HN GLN 20 2.437 -16.506 36.062 140 HA GLN 20 HA GLN 20 -0.282 -16.276 34.917 141 HB2 GLN 20 2HB GLN 20 -0.456 -15.656 37.305 142 HB3 GLN 20 3HB GLN 20 0.828 -14.446 37.071 143 HG2 GLN 20 2HG GLN 20 -0.623 -13.272 35.446 144 HG3 GLN 20 3HG GLN 20 -1.910 -14.449 35.782 145 HE21 GLN 20 1HE2 GLN 20 -2.989 -14.412 37.778 146 HE22 GLN 20 2HE2 GLN 20 -2.889 -13.031 38.852 147 H GLY 21 HN GLY 21 -0.403 -14.861 33.224 148 HA2 GLY 21 1HA GLY 21 1.403 -12.706 32.813 149 HA3 GLY 21 2HA GLY 21 1.973 -14.125 31.903 150 H HIS 22 HN HIS 22 0.375 -11.346 31.526 151 HA HIS 22 HA HIS 22 -0.835 -12.255 29.045 152 HB2 HIS 22 2HB HIS 22 -2.623 -12.726 30.754 153 HB3 HIS 22 3HB HIS 22 -2.638 -10.997 31.141 154 HD1 HIS 22 1HD HIS 22 -3.690 -9.377 29.402 155 HD2 HIS 22 2HD HIS 22 -3.885 -13.415 28.332 156 HE1 HIS 22 1HE HIS 22 -5.316 -9.519 27.462 157 HE2 HIS 22 2HE HIS 22 -5.434 -11.970 26.825 158 H MET 23 HN MET 23 -0.697 -10.657 27.572 159 HA MET 23 HA MET 23 -0.948 -7.874 28.238 160 HB2 MET 23 2HB MET 23 1.307 -8.261 29.158 161 HB3 MET 23 3HB MET 23 1.840 -8.879 27.577 162 HG2 MET 23 2HG MET 23 1.515 -6.713 26.563 163 HG3 MET 23 3HG MET 23 0.801 -6.074 28.053 164 HE1 MET 23 3HE MET 23 2.645 -7.307 30.308 165 HE2 MET 23 1HE MET 23 3.855 -6.019 30.504 166 HE3 MET 23 2HE MET 23 2.144 -5.599 30.267 167 H ALA 24 HN ALA 24 -2.345 -7.705 26.562 168 HA ALA 24 HA ALA 24 -1.195 -8.226 23.861 169 HB1 ALA 24 1HB ALA 24 -3.488 -8.672 23.084 170 HB2 ALA 24 2HB ALA 24 -3.014 -9.796 24.379 171 HB3 ALA 24 3HB ALA 24 -4.096 -8.429 24.739 172 H ALA 25 HN ALA 25 -0.600 -6.303 23.069 173 HA ALA 25 HA ALA 25 -2.629 -4.163 23.047 174 HB1 ALA 25 1HB ALA 25 -1.005 -2.477 23.814 175 HB2 ALA 25 2HB ALA 25 -1.281 -3.721 25.053 176 HB3 ALA 25 3HB ALA 25 0.201 -3.757 24.071 177 H ARG 26 HN ARG 26 -2.849 -3.488 21.038 178 HA ARG 26 HA ARG 26 -0.443 -3.509 19.282 179 HB2 ARG 26 2HB ARG 26 -3.374 -3.887 18.749 180 HB3 ARG 26 3HB ARG 26 -2.337 -3.193 17.481 181 HG2 ARG 26 2HG ARG 26 -0.903 -5.176 17.565 182 HG3 ARG 26 3HG ARG 26 -1.934 -5.871 18.839 183 HD2 ARG 26 2HD ARG 26 -2.988 -5.061 16.119 184 HD3 ARG 26 3HD ARG 26 -2.362 -6.687 16.468 185 HE ARG 26 HE ARG 26 -4.167 -6.436 18.429 186 HH11 ARG 26 2HH1 ARG 26 -4.461 -5.454 15.055 187 HH12 ARG 26 1HH1 ARG 26 -6.166 -5.829 14.967 188 HH21 ARG 26 2HH2 ARG 26 -6.375 -6.980 18.279 189 HH22 ARG 26 1HH2 ARG 26 -7.249 -6.692 16.792 190 H ILE 27 HN ILE 27 0.393 -1.614 18.695 191 HA ILE 27 HA ILE 27 -1.092 0.823 19.418 192 HB ILE 27 HB ILE 27 1.743 0.505 18.350 193 HG12 ILE 27 2HG1 ILE 27 0.756 0.968 21.185 194 HG13 ILE 27 3HG1 ILE 27 1.370 -0.578 20.550 195 HG21 ILE 27 1HG2 ILE 27 2.047 2.819 19.137 196 HG22 ILE 27 2HG2 ILE 27 0.768 2.718 17.905 197 HG23 ILE 27 3HG2 ILE 27 0.336 2.878 19.624 198 HD11 ILE 27 3HD1 ILE 27 2.946 1.998 20.786 199 HD12 ILE 27 1HD1 ILE 27 3.092 0.592 21.862 200 HD13 ILE 27 2HD1 ILE 27 3.558 0.451 20.154 201 H THR 28 HN THR 28 -2.546 1.433 17.946 202 HA THR 28 HA THR 28 -2.023 0.960 15.099 203 HB THR 28 HB THR 28 -4.365 1.961 14.880 204 HG1 THR 28 1HG THR 28 -5.536 2.041 16.874 205 HG21 THR 28 3HG2 THR 28 -4.029 -0.470 16.672 206 HG22 THR 28 1HG2 THR 28 -5.482 -0.069 15.726 207 HG23 THR 28 2HG2 THR 28 -3.961 -0.465 14.893 208 H GLY 29 HN GLY 29 -1.562 2.500 13.587 209 HA2 GLY 29 1HA GLY 29 -2.178 5.273 14.027 210 HA3 GLY 29 2HA GLY 29 -0.445 4.951 14.264 211 H GLU 30 HN GLU 30 -2.590 3.281 11.976 212 HA GLU 30 HA GLU 30 -0.845 4.321 9.802 213 HB2 GLU 30 2HB GLU 30 -2.566 1.821 9.907 214 HB3 GLU 30 3HB GLU 30 -1.599 2.352 8.510 215 HG2 GLU 30 2HG GLU 30 -0.211 0.785 9.426 216 HG3 GLU 30 3HG GLU 30 0.380 2.259 10.223 217 HE2 GLU 30 2HE GLU 30 -0.601 1.117 13.339 218 HA PRO 31 HA PRO 31 -4.368 6.319 7.913 219 HB2 PRO 31 2HB PRO 31 -3.715 6.024 5.236 220 HB3 PRO 31 3HB PRO 31 -2.906 7.181 6.343 221 HG2 PRO 31 2HG PRO 31 -2.012 4.454 5.526 222 HG3 PRO 31 3HG PRO 31 -1.065 5.976 5.561 223 HD2 PRO 31 2HD PRO 31 -0.899 4.128 7.532 224 HD3 PRO 31 3HD PRO 31 -0.866 5.879 7.901 225 H SER 32 HN SER 32 -6.122 5.864 6.232 226 HA SER 32 HA SER 32 -6.966 3.094 6.718 227 HB2 SER 32 2HB SER 32 -8.491 4.998 7.193 228 HB3 SER 32 3HB SER 32 -8.473 5.420 5.463 229 HG SER 32 HG SER 32 -10.285 4.126 6.044 230 H LYS 33 HN LYS 33 -6.955 5.302 3.857 231 HA LYS 33 HA LYS 33 -7.015 2.837 2.195 232 HB2 LYS 33 2HB LYS 33 -7.912 5.656 1.507 233 HB3 LYS 33 3HB LYS 33 -8.043 4.225 0.455 234 HG2 LYS 33 2HG LYS 33 -9.533 3.174 2.144 235 HG3 LYS 33 3HG LYS 33 -9.464 4.679 3.094 236 HD2 LYS 33 2HD LYS 33 -10.506 4.400 0.257 237 HD3 LYS 33 3HD LYS 33 -11.496 4.576 1.725 238 HE2 LYS 33 2HE LYS 33 -10.473 6.780 2.142 239 HE3 LYS 33 3HE LYS 33 -9.504 6.605 0.662 240 HZ1 LYS 33 3HZ LYS 33 -12.443 6.677 0.787 241 HZ2 LYS 33 1HZ LYS 33 -11.471 7.911 0.286 242 HZ3 LYS 33 2HZ LYS 33 -11.544 6.515 -0.587 243 H LYS 34 HN LYS 34 -4.924 5.300 3.184 244 HA LYS 34 HA LYS 34 -3.537 5.438 0.585 245 HB2 LYS 34 2HB LYS 34 -3.854 7.437 2.129 246 HB3 LYS 34 3HB LYS 34 -2.662 6.673 3.207 247 HG2 LYS 34 2HG LYS 34 -1.044 6.672 1.297 248 HG3 LYS 34 3HG LYS 34 -2.231 7.609 0.359 249 HD2 LYS 34 2HD LYS 34 -2.173 9.377 2.085 250 HD3 LYS 34 3HD LYS 34 -0.944 8.446 2.976 251 HE2 LYS 34 2HE LYS 34 0.491 8.532 0.909 252 HE3 LYS 34 3HE LYS 34 -0.698 9.648 0.204 253 HZ1 LYS 34 3HZ LYS 34 0.833 10.115 2.674 254 HZ2 LYS 34 1HZ LYS 34 1.129 10.820 1.214 255 HZ3 LYS 34 2HZ LYS 34 -0.271 11.150 2.018 256 H ALA 35 HN ALA 35 -3.724 3.251 2.992 257 HA ALA 35 HA ALA 35 -0.869 2.728 3.342 258 HB1 ALA 35 1HB ALA 35 -1.631 0.847 4.737 259 HB2 ALA 35 2HB ALA 35 -2.438 2.364 5.198 260 HB3 ALA 35 3HB ALA 35 -3.308 1.152 4.229 261 H VAL 36 HN VAL 36 0.248 0.881 2.632 262 HA VAL 36 HA VAL 36 -0.641 -0.088 0.033 263 HB VAL 36 HB VAL 36 1.730 -1.044 1.681 264 HG11 VAL 36 1HG1 VAL 36 2.690 -1.654 -0.498 265 HG12 VAL 36 2HG1 VAL 36 1.144 -2.483 -0.210 266 HG13 VAL 36 3HG1 VAL 36 1.213 -1.082 -1.306 267 HG21 VAL 36 3HG2 VAL 36 1.821 1.393 1.439 268 HG22 VAL 36 1HG2 VAL 36 3.084 0.610 0.462 269 HG23 VAL 36 2HG2 VAL 36 1.614 1.233 -0.322 270 H SER 37 HN SER 37 -0.965 -0.991 3.284 271 HA SER 37 HA SER 37 -2.057 -2.686 4.325 272 HB2 SER 37 2HB SER 37 -3.752 -2.232 2.527 273 HB3 SER 37 3HB SER 37 -3.002 -3.522 1.558 274 HG SER 37 HG SER 37 -4.812 -4.261 2.774 275 H ASP 38 HN ASP 38 -2.396 -5.174 4.287 276 HA ASP 38 HA ASP 38 -0.005 -6.522 3.112 277 HB2 ASP 38 2HB ASP 38 0.241 -7.849 5.071 278 HB3 ASP 38 3HB ASP 38 0.085 -6.172 5.638 279 HD2 ASP 38 2HD ASP 38 -2.523 -8.800 6.870 280 H ARG 39 HN ARG 39 -3.234 -6.099 2.999 281 HA ARG 39 HA ARG 39 -4.110 -8.884 3.009 282 HB2 ARG 39 2HB ARG 39 -5.614 -6.404 2.112 283 HB3 ARG 39 3HB ARG 39 -6.300 -7.978 2.581 284 HG2 ARG 39 2HG ARG 39 -4.822 -6.057 4.403 285 HG3 ARG 39 3HG ARG 39 -6.582 -6.321 4.358 286 HD2 ARG 39 2HD ARG 39 -6.419 -8.449 5.287 287 HD3 ARG 39 3HD ARG 39 -4.716 -8.636 4.814 288 HE ARG 39 HE ARG 39 -4.109 -7.101 6.604 289 HH11 ARG 39 2HH1 ARG 39 -7.430 -8.272 6.633 290 HH12 ARG 39 1HH1 ARG 39 -7.646 -7.992 8.345 291 HH21 ARG 39 2HH2 ARG 39 -4.395 -6.760 8.843 292 HH22 ARG 39 1HH2 ARG 39 -5.928 -7.137 9.597 293 H LEU 40 HN LEU 40 -2.084 -7.705 1.027 294 HA LEU 40 HA LEU 40 -3.467 -8.460 -1.486 295 HB2 LEU 40 2HB LEU 40 -0.673 -7.363 -1.053 296 HB3 LEU 40 3HB LEU 40 -1.528 -7.546 -2.603 297 HG LEU 40 HG LEU 40 -2.238 -5.632 -0.366 298 HD11 LEU 40 1HD1 LEU 40 -1.564 -3.893 -1.975 299 HD12 LEU 40 2HD1 LEU 40 -0.219 -4.998 -1.609 300 HD13 LEU 40 3HD1 LEU 40 -1.108 -5.153 -3.144 301 HD21 LEU 40 3HD2 LEU 40 -4.236 -6.439 -1.538 302 HD22 LEU 40 1HD2 LEU 40 -3.914 -4.733 -1.929 303 HD23 LEU 40 2HD2 LEU 40 -3.501 -6.006 -3.100 304 H ILE 41 HN ILE 41 -1.343 -9.575 0.978 305 HA ILE 41 HA ILE 41 0.199 -11.410 -0.624 306 HB ILE 41 HB ILE 41 -0.293 -11.359 2.381 307 HG12 ILE 41 2HG1 ILE 41 0.681 -9.279 1.585 308 HG13 ILE 41 3HG1 ILE 41 1.875 -10.221 2.508 309 HG21 ILE 41 1HG2 ILE 41 1.773 -12.689 2.543 310 HG22 ILE 41 2HG2 ILE 41 0.525 -13.537 1.602 311 HG23 ILE 41 3HG2 ILE 41 1.879 -12.737 0.768 312 HD11 ILE 41 3HD1 ILE 41 1.717 -10.020 -0.509 313 HD12 ILE 41 1HD1 ILE 41 2.898 -9.188 0.522 314 HD13 ILE 41 2HD1 ILE 41 2.912 -10.960 0.415 315 H GLY 42 HN GLY 42 -0.170 -13.458 -1.193 316 HA2 GLY 42 1HA GLY 42 -0.954 -15.613 -1.018 317 HA3 GLY 42 2HA GLY 42 -1.817 -15.157 0.468 318 H ARG 43 HN ARG 43 -2.308 -13.369 -2.514 319 HA ARG 43 HA ARG 43 -4.929 -14.756 -2.810 320 HB2 ARG 43 2HB ARG 43 -4.329 -11.787 -2.986 321 HB3 ARG 43 3HB ARG 43 -5.879 -12.542 -3.432 322 HG2 ARG 43 2HG ARG 43 -6.312 -13.205 -1.199 323 HG3 ARG 43 3HG ARG 43 -4.644 -12.846 -0.691 324 HD2 ARG 43 2HD ARG 43 -6.023 -11.093 0.137 325 HD3 ARG 43 3HD ARG 43 -5.097 -10.434 -1.228 326 HE ARG 43 HE ARG 43 -7.113 -10.557 -2.583 327 HH11 ARG 43 2HH1 ARG 43 -7.536 -11.184 0.856 328 HH12 ARG 43 1HH1 ARG 43 -9.209 -10.675 0.875 329 HH21 ARG 43 2HH2 ARG 43 -9.282 -9.824 -2.531 330 HH22 ARG 43 1HH2 ARG 43 -10.198 -9.906 -1.044 331 H LYS 44 HN LYS 44 -5.896 -14.504 -4.979 332 HA LYS 44 HA LYS 44 -3.737 -14.846 -6.967 333 HB2 LYS 44 2HB LYS 44 -5.420 -16.637 -6.656 334 HB3 LYS 44 3HB LYS 44 -6.701 -15.492 -7.122 335 HG2 LYS 44 2HG LYS 44 -5.591 -15.223 -9.327 336 HG3 LYS 44 3HG LYS 44 -4.418 -16.474 -8.850 337 HD2 LYS 44 2HD LYS 44 -6.168 -17.428 -10.250 338 HD3 LYS 44 3HD LYS 44 -6.255 -18.093 -8.601 339 HE2 LYS 44 2HE LYS 44 -8.192 -16.904 -8.083 340 HE3 LYS 44 3HE LYS 44 -7.916 -15.699 -9.361 341 HZ1 LYS 44 3HZ LYS 44 -8.670 -18.513 -9.793 342 HZ2 LYS 44 1HZ LYS 44 -9.678 -17.215 -9.934 343 HZ3 LYS 44 2HZ LYS 44 -8.414 -17.394 -10.978 344 H GLY 45 HN GLY 45 -3.628 -13.741 -8.887 345 HA2 GLY 45 1HA GLY 45 -5.654 -11.638 -9.374 346 HA3 GLY 45 2HA GLY 45 -3.933 -11.197 -9.297 347 H VAL 46 HN VAL 46 -4.878 -10.516 -11.584 348 HA VAL 46 HA VAL 46 -4.316 -12.785 -13.432 349 HB VAL 46 HB VAL 46 -6.701 -12.149 -13.496 350 HG11 VAL 46 1HG1 VAL 46 -7.403 -9.942 -14.315 351 HG12 VAL 46 2HG1 VAL 46 -6.491 -9.816 -12.792 352 HG13 VAL 46 3HG1 VAL 46 -5.704 -9.413 -14.338 353 HG21 VAL 46 3HG2 VAL 46 -5.629 -12.970 -15.537 354 HG22 VAL 46 1HG2 VAL 46 -6.898 -11.784 -15.919 355 HG23 VAL 46 2HG2 VAL 46 -5.188 -11.304 -15.984 356 H VAL 47 HN VAL 47 -3.051 -12.366 -15.238 357 HA VAL 47 HA VAL 47 -1.241 -10.098 -14.880 358 HB VAL 47 HB VAL 47 -1.231 -12.240 -17.037 359 HG11 VAL 47 1HG1 VAL 47 1.146 -11.659 -17.272 360 HG12 VAL 47 2HG1 VAL 47 0.098 -10.258 -17.587 361 HG13 VAL 47 3HG1 VAL 47 0.958 -10.395 -16.036 362 HG21 VAL 47 3HG2 VAL 47 -1.130 -13.249 -14.805 363 HG22 VAL 47 1HG2 VAL 47 0.431 -13.406 -15.645 364 HG23 VAL 47 2HG2 VAL 47 0.224 -12.179 -14.374 365 H MET 48 HN MET 48 -1.576 -8.183 -15.751 366 HA MET 48 HA MET 48 -3.456 -7.976 -18.027 367 HB2 MET 48 2HB MET 48 -2.324 -5.863 -16.166 368 HB3 MET 48 3HB MET 48 -3.545 -5.593 -17.432 369 HG2 MET 48 2HG MET 48 -3.868 -7.366 -14.995 370 HG3 MET 48 3HG MET 48 -4.551 -5.744 -15.198 371 HE1 MET 48 3HE MET 48 -5.350 -5.848 -18.322 372 HE2 MET 48 1HE MET 48 -7.058 -6.325 -18.199 373 HE3 MET 48 2HE MET 48 -6.385 -5.140 -17.057 374 H GLU 49 HN GLU 49 -0.095 -7.560 -17.158 375 HA GLU 49 HA GLU 49 0.452 -6.994 -20.012 376 HB2 GLU 49 2HB GLU 49 0.491 -4.812 -18.840 377 HB3 GLU 49 3HB GLU 49 1.730 -5.450 -17.732 378 HG2 GLU 49 2HG GLU 49 2.635 -4.015 -19.554 379 HG3 GLU 49 3HG GLU 49 3.318 -5.656 -19.515 380 HE2 GLU 49 2HE GLU 49 1.142 -4.578 -22.651 381 H ALA 50 HN ALA 50 2.513 -7.685 -20.708 382 HA ALA 50 HA ALA 50 3.223 -10.198 -19.695 383 HB1 ALA 50 1HB ALA 50 5.145 -10.062 -21.229 384 HB2 ALA 50 2HB ALA 50 3.657 -9.466 -21.999 385 HB3 ALA 50 3HB ALA 50 4.877 -8.313 -21.408 386 H ILE 51 HN ILE 51 4.338 -10.849 -18.033 387 HA ILE 51 HA ILE 51 6.134 -8.905 -16.688 388 HB ILE 51 HB ILE 51 4.912 -11.489 -15.624 389 HG12 ILE 51 2HG1 ILE 51 4.223 -8.608 -14.973 390 HG13 ILE 51 3HG1 ILE 51 3.262 -9.684 -16.017 391 HG21 ILE 51 1HG2 ILE 51 5.756 -10.731 -13.439 392 HG22 ILE 51 2HG2 ILE 51 7.081 -10.951 -14.606 393 HG23 ILE 51 3HG2 ILE 51 6.499 -9.315 -14.218 394 HD11 ILE 51 3HD1 ILE 51 3.848 -10.112 -13.080 395 HD12 ILE 51 1HD1 ILE 51 2.307 -9.546 -13.757 396 HD13 ILE 51 2HD1 ILE 51 2.885 -11.185 -14.122 397 H SER 52 HN SER 52 8.250 -9.167 -17.079 398 HA SER 52 HA SER 52 9.202 -11.966 -17.435 399 HB2 SER 52 2HB SER 52 10.855 -9.691 -18.434 400 HB3 SER 52 3HB SER 52 10.651 -11.335 -19.087 401 HG SER 52 HG SER 52 9.671 -9.723 -20.409 402 HA PRO 53 HA PRO 53 11.809 -11.481 -13.948 403 HB2 PRO 53 2HB PRO 53 14.285 -12.139 -15.489 404 HB3 PRO 53 3HB PRO 53 13.455 -13.041 -14.180 405 HG2 PRO 53 2HG PRO 53 13.437 -13.845 -16.743 406 HG3 PRO 53 3HG PRO 53 12.100 -14.200 -15.601 407 HD2 PRO 53 2HD PRO 53 12.309 -12.168 -17.815 408 HD3 PRO 53 3HD PRO 53 10.890 -13.098 -17.243 409 H GLN 54 HN GLN 54 13.034 -10.000 -16.929 410 HA GLN 54 HA GLN 54 14.864 -8.257 -15.472 411 HB2 GLN 54 2HB GLN 54 14.078 -8.197 -18.403 412 HB3 GLN 54 3HB GLN 54 15.483 -7.404 -17.651 413 HG2 GLN 54 2HG GLN 54 16.532 -9.232 -18.494 414 HG3 GLN 54 3HG GLN 54 16.027 -9.913 -16.933 415 HE21 GLN 54 1HE2 GLN 54 16.626 -11.358 -19.379 416 HE22 GLN 54 2HE2 GLN 54 15.165 -12.216 -19.822 417 H ASN 55 HN ASN 55 11.799 -7.891 -17.323 418 HA ASN 55 HA ASN 55 11.588 -5.179 -16.089 419 HB2 ASN 55 2HB ASN 55 11.935 -5.284 -18.633 420 HB3 ASN 55 3HB ASN 55 10.302 -5.981 -18.712 421 HD21 ASN 55 1HD2 ASN 55 11.255 -3.476 -19.868 422 HD22 ASN 55 2HD2 ASN 55 10.289 -2.201 -19.157 423 H SER 56 HN SER 56 9.924 -4.904 -14.778 424 HA SER 56 HA SER 56 8.208 -7.113 -14.162 425 HB2 SER 56 2HB SER 56 7.814 -4.218 -13.344 426 HB3 SER 56 3HB SER 56 7.312 -5.686 -12.470 427 HG SER 56 HG SER 56 9.234 -4.753 -11.611 428 H GLY 57 HN GLY 57 5.853 -7.098 -14.166 429 HA2 GLY 57 1HA GLY 57 4.809 -5.596 -16.522 430 HA3 GLY 57 2HA GLY 57 4.336 -7.263 -16.121 431 H LEU 58 HN LEU 58 2.133 -6.375 -16.213 432 HA LEU 58 HA LEU 58 1.467 -4.910 -13.703 433 HB2 LEU 58 2HB LEU 58 0.212 -4.756 -16.456 434 HB3 LEU 58 3HB LEU 58 -0.503 -4.041 -14.991 435 HG LEU 58 HG LEU 58 2.171 -3.296 -16.200 436 HD11 LEU 58 1HD1 LEU 58 1.057 -1.188 -16.814 437 HD12 LEU 58 2HD1 LEU 58 0.279 -2.586 -17.591 438 HD13 LEU 58 3HD1 LEU 58 -0.480 -1.817 -16.176 439 HD21 LEU 58 3HD2 LEU 58 2.104 -3.029 -13.760 440 HD22 LEU 58 1HD2 LEU 58 2.125 -1.447 -14.572 441 HD23 LEU 58 2HD2 LEU 58 0.605 -2.080 -13.899 442 H VAL 59 HN VAL 59 -0.084 -5.739 -12.416 443 HA VAL 59 HA VAL 59 -1.762 -7.931 -13.518 444 HB VAL 59 HB VAL 59 -1.710 -9.003 -11.249 445 HG11 VAL 59 1HG1 VAL 59 0.481 -10.078 -11.533 446 HG12 VAL 59 2HG1 VAL 59 -0.351 -9.872 -13.091 447 HG13 VAL 59 3HG1 VAL 59 0.975 -8.775 -12.638 448 HG21 VAL 59 3HG2 VAL 59 -0.979 -7.057 -9.948 449 HG22 VAL 59 1HG2 VAL 59 0.116 -8.437 -9.699 450 HG23 VAL 59 2HG2 VAL 59 0.603 -7.098 -10.764 451 H LYS 60 HN LYS 60 -3.862 -8.127 -12.563 452 HA LYS 60 HA LYS 60 -4.796 -5.559 -11.437 453 HB2 LYS 60 2HB LYS 60 -5.998 -6.535 -13.365 454 HB3 LYS 60 3HB LYS 60 -6.369 -7.975 -12.385 455 HG2 LYS 60 2HG LYS 60 -7.514 -6.402 -10.753 456 HG3 LYS 60 3HG LYS 60 -7.355 -5.143 -12.001 457 HD2 LYS 60 2HD LYS 60 -8.779 -7.797 -12.333 458 HD3 LYS 60 3HD LYS 60 -9.562 -6.225 -12.053 459 HE2 LYS 60 2HE LYS 60 -8.600 -5.379 -14.159 460 HE3 LYS 60 3HE LYS 60 -7.836 -6.959 -14.440 461 HZ1 LYS 60 3HZ LYS 60 -10.733 -6.468 -14.238 462 HZ2 LYS 60 1HZ LYS 60 -9.900 -6.744 -15.634 463 HZ3 LYS 60 2HZ LYS 60 -10.024 -7.934 -14.500 464 H VAL 61 HN VAL 61 -5.087 -5.311 -9.337 465 HA VAL 61 HA VAL 61 -5.730 -7.730 -7.726 466 HB VAL 61 HB VAL 61 -4.077 -5.348 -6.810 467 HG11 VAL 61 1HG1 VAL 61 -3.679 -6.691 -4.788 468 HG12 VAL 61 2HG1 VAL 61 -5.412 -6.368 -5.026 469 HG13 VAL 61 3HG1 VAL 61 -4.740 -7.966 -5.429 470 HG21 VAL 61 3HG2 VAL 61 -2.825 -6.732 -8.399 471 HG22 VAL 61 1HG2 VAL 61 -2.170 -6.902 -6.754 472 HG23 VAL 61 2HG2 VAL 61 -3.197 -8.183 -7.437 473 H ASP 62 HN ASP 62 -7.768 -7.587 -7.188 474 HA ASP 62 HA ASP 62 -9.739 -6.844 -6.359 475 HB2 ASP 62 2HB ASP 62 -8.450 -6.014 -4.458 476 HB3 ASP 62 3HB ASP 62 -8.136 -4.491 -5.318 477 HD2 ASP 62 2HD ASP 62 -11.956 -4.999 -4.293 478 H GLY 63 HN GLY 63 -8.400 -3.595 -6.984 479 HA2 GLY 63 1HA GLY 63 -10.154 -3.409 -9.362 480 HA3 GLY 63 2HA GLY 63 -10.395 -2.255 -8.030 481 H GLU 64 HN GLU 64 -7.146 -3.098 -8.180 482 HA GLU 64 HA GLU 64 -6.598 -0.712 -9.877 483 HB2 GLU 64 2HB GLU 64 -5.182 -1.696 -7.386 484 HB3 GLU 64 3HB GLU 64 -4.565 -0.411 -8.453 485 HG2 GLU 64 2HG GLU 64 -6.664 0.867 -7.996 486 HG3 GLU 64 3HG GLU 64 -7.093 -0.372 -6.797 487 HE2 GLU 64 2HE GLU 64 -4.748 0.829 -4.533 488 H THR 65 HN THR 65 -4.526 -0.696 -10.955 489 HA THR 65 HA THR 65 -3.610 -3.434 -11.631 490 HB THR 65 HB THR 65 -2.786 -0.876 -13.027 491 HG1 THR 65 1HG THR 65 -4.535 -1.320 -14.475 492 HG21 THR 65 3HG2 THR 65 -3.007 -3.769 -13.941 493 HG22 THR 65 1HG2 THR 65 -2.442 -2.407 -14.935 494 HG23 THR 65 2HG2 THR 65 -1.501 -2.921 -13.517 495 H TRP 66 HN TRP 66 -1.929 -4.122 -10.487 496 HA TRP 66 HA TRP 66 -0.055 -2.089 -9.399 497 HB2 TRP 66 2HB TRP 66 -0.674 -4.938 -8.558 498 HB3 TRP 66 3HB TRP 66 0.658 -3.986 -7.887 499 HD1 TRP 66 1HD TRP 66 -3.234 -3.885 -8.080 500 HE1 TRP 66 1HE TRP 66 -4.132 -2.629 -6.040 501 HE3 TRP 66 3HE TRP 66 1.242 -2.451 -6.071 502 HZ2 TRP 66 2HZ TRP 66 -3.044 -1.202 -3.845 503 HZ3 TRP 66 3HZ TRP 66 1.232 -1.121 -3.997 504 HH2 TRP 66 2HH TRP 66 -0.884 -0.528 -2.886 505 H ARG 67 HN ARG 67 2.242 -2.758 -9.263 506 HA ARG 67 HA ARG 67 3.038 -3.966 -11.827 507 HB2 ARG 67 2HB ARG 67 4.727 -2.691 -9.652 508 HB3 ARG 67 3HB ARG 67 5.282 -3.191 -11.268 509 HG2 ARG 67 2HG ARG 67 5.032 -0.853 -11.370 510 HG3 ARG 67 3HG ARG 67 3.608 -1.522 -12.203 511 HD2 ARG 67 2HD ARG 67 2.212 -1.127 -10.299 512 HD3 ARG 67 3HD ARG 67 3.611 -0.721 -9.282 513 HE ARG 67 HE ARG 67 3.698 1.133 -11.312 514 HH11 ARG 67 2HH1 ARG 67 1.269 0.096 -8.979 515 HH12 ARG 67 1HH1 ARG 67 0.511 1.669 -8.873 516 HH21 ARG 67 2HH2 ARG 67 2.709 3.189 -11.159 517 HH22 ARG 67 1HH2 ARG 67 1.328 3.422 -10.110 518 H ALA 68 HN ALA 68 4.377 -5.777 -11.961 519 HA ALA 68 HA ALA 68 4.804 -7.271 -9.455 520 HB1 ALA 68 1HB ALA 68 3.687 -9.278 -10.338 521 HB2 ALA 68 2HB ALA 68 2.553 -7.916 -10.185 522 HB3 ALA 68 3HB ALA 68 3.195 -8.365 -11.783 523 H THR 69 HN THR 69 6.497 -8.605 -9.472 524 HA THR 69 HA THR 69 7.928 -8.933 -12.066 525 HB THR 69 HB THR 69 9.410 -9.241 -9.494 526 HG1 THR 69 1HG THR 69 9.660 -6.945 -9.353 527 HG21 THR 69 3HG2 THR 69 10.018 -7.837 -12.118 528 HG22 THR 69 1HG2 THR 69 11.173 -8.109 -10.795 529 HG23 THR 69 2HG2 THR 69 10.500 -9.494 -11.685 530 H SER 70 HN SER 70 9.189 -10.981 -12.216 531 HA SER 70 HA SER 70 8.522 -13.109 -10.350 532 HB2 SER 70 2HB SER 70 6.464 -12.849 -11.834 533 HB3 SER 70 3HB SER 70 7.490 -13.370 -13.192 534 HG SER 70 HG SER 70 6.358 -15.116 -12.212 535 H GLY 71 HN GLY 71 9.371 -15.281 -11.293 536 HA2 GLY 71 1HA GLY 71 11.977 -14.670 -12.575 537 HA3 GLY 71 2HA GLY 71 11.577 -16.127 -11.635 538 H THR 72 HN THR 72 8.915 -15.664 -13.424 539 HA THR 72 HA THR 72 9.985 -17.140 -15.783 540 HB THR 72 HB THR 72 7.157 -17.532 -14.823 541 HG1 THR 72 1HG THR 72 7.942 -19.267 -13.507 542 HG21 THR 72 3HG2 THR 72 9.195 -19.360 -16.143 543 HG22 THR 72 1HG2 THR 72 7.499 -19.772 -15.801 544 HG23 THR 72 2HG2 THR 72 7.880 -18.491 -16.973 545 H VAL 73 HN VAL 73 8.432 -16.946 -17.704 546 HA VAL 73 HA VAL 73 7.729 -14.101 -17.934 547 HB VAL 73 HB VAL 73 7.712 -16.302 -20.031 548 HG11 VAL 73 1HG1 VAL 73 7.597 -14.457 -21.654 549 HG12 VAL 73 2HG1 VAL 73 6.186 -14.460 -20.571 550 HG13 VAL 73 3HG1 VAL 73 7.500 -13.288 -20.317 551 HG21 VAL 73 3HG2 VAL 73 9.958 -15.854 -19.151 552 HG22 VAL 73 1HG2 VAL 73 9.801 -15.269 -20.823 553 HG23 VAL 73 2HG2 VAL 73 9.742 -14.116 -19.470 554 H LEU 74 HN LEU 74 5.779 -13.416 -17.468 555 HA LEU 74 HA LEU 74 3.524 -15.350 -17.618 556 HB2 LEU 74 2HB LEU 74 3.680 -12.697 -16.162 557 HB3 LEU 74 3HB LEU 74 2.402 -13.929 -16.026 558 HG LEU 74 HG LEU 74 5.283 -14.291 -15.163 559 HD11 LEU 74 1HD1 LEU 74 4.411 -14.157 -12.867 560 HD12 LEU 74 2HD1 LEU 74 4.119 -12.650 -13.765 561 HD13 LEU 74 3HD1 LEU 74 2.789 -13.804 -13.506 562 HD21 LEU 74 3HD2 LEU 74 4.186 -16.375 -15.839 563 HD22 LEU 74 1HD2 LEU 74 4.450 -16.336 -14.081 564 HD23 LEU 74 2HD2 LEU 74 2.829 -16.025 -14.742 565 H ASP 75 HN ASP 75 1.996 -15.089 -19.107 566 HA ASP 75 HA ASP 75 2.154 -12.665 -20.796 567 HB2 ASP 75 2HB ASP 75 0.957 -15.412 -21.187 568 HB3 ASP 75 3HB ASP 75 0.572 -14.056 -22.269 569 HD2 ASP 75 2HD ASP 75 3.615 -14.288 -23.861 570 H VAL 76 HN VAL 76 0.075 -11.877 -21.725 571 HA VAL 76 HA VAL 76 -1.590 -11.061 -19.516 572 HB VAL 76 HB VAL 76 -2.044 -10.607 -22.486 573 HG11 VAL 76 1HG1 VAL 76 -3.316 -8.638 -21.745 574 HG12 VAL 76 2HG1 VAL 76 -3.995 -10.142 -21.081 575 HG13 VAL 76 3HG1 VAL 76 -3.008 -9.079 -20.050 576 HG21 VAL 76 3HG2 VAL 76 0.196 -9.854 -21.838 577 HG22 VAL 76 1HG2 VAL 76 -0.865 -8.470 -22.188 578 HG23 VAL 76 2HG2 VAL 76 -0.503 -8.906 -20.502 579 H GLY 77 HN GLY 77 -3.213 -12.192 -18.693 580 HA2 GLY 77 1HA GLY 77 -5.471 -13.102 -19.320 581 HA3 GLY 77 2HA GLY 77 -4.611 -14.086 -20.527 582 H GLU 78 HN GLU 78 -2.343 -14.271 -18.446 583 HA GLU 78 HA GLU 78 -3.232 -16.749 -17.271 584 HB2 GLU 78 2HB GLU 78 -0.745 -15.059 -17.048 585 HB3 GLU 78 3HB GLU 78 -0.987 -16.515 -16.053 586 HG2 GLU 78 2HG GLU 78 -0.920 -16.387 -19.069 587 HG3 GLU 78 3HG GLU 78 0.364 -17.000 -18.005 588 HE2 GLU 78 2HE GLU 78 -1.894 -19.756 -17.194 589 H GLU 79 HN GLU 79 -2.833 -17.194 -14.940 590 HA GLU 79 HA GLU 79 -3.707 -14.893 -13.264 591 HB2 GLU 79 2HB GLU 79 -4.439 -17.821 -12.951 592 HB3 GLU 79 3HB GLU 79 -4.878 -16.512 -11.827 593 HG2 GLU 79 2HG GLU 79 -6.049 -15.407 -13.787 594 HG3 GLU 79 3HG GLU 79 -5.819 -16.936 -14.663 595 HE2 GLU 79 2HE GLU 79 -8.316 -18.505 -12.847 596 H VAL 80 HN VAL 80 -2.577 -14.510 -11.444 597 HA VAL 80 HA VAL 80 -0.441 -16.470 -10.784 598 HB VAL 80 HB VAL 80 1.071 -14.547 -10.289 599 HG11 VAL 80 1HG1 VAL 80 1.639 -14.038 -12.626 600 HG12 VAL 80 2HG1 VAL 80 1.246 -15.759 -12.411 601 HG13 VAL 80 3HG1 VAL 80 0.055 -14.659 -13.145 602 HG21 VAL 80 3HG2 VAL 80 -0.641 -12.819 -9.962 603 HG22 VAL 80 1HG2 VAL 80 0.537 -12.321 -11.198 604 HG23 VAL 80 2HG2 VAL 80 -1.069 -12.908 -11.687 605 H SER 81 HN SER 81 0.324 -16.398 -8.604 606 HA SER 81 HA SER 81 -1.598 -15.058 -6.764 607 HB2 SER 81 2HB SER 81 0.120 -17.516 -6.271 608 HB3 SER 81 3HB SER 81 -1.022 -16.780 -5.120 609 HG SER 81 HG SER 81 -1.932 -18.558 -6.263 610 H VAL 82 HN VAL 82 -0.846 -13.742 -5.186 611 HA VAL 82 HA VAL 82 1.845 -12.707 -5.586 612 HB VAL 82 HB VAL 82 -0.224 -11.911 -3.501 613 HG11 VAL 82 1HG1 VAL 82 1.001 -9.778 -3.439 614 HG12 VAL 82 2HG1 VAL 82 2.049 -11.147 -2.998 615 HG13 VAL 82 3HG1 VAL 82 2.169 -10.417 -4.618 616 HG21 VAL 82 3HG2 VAL 82 -1.155 -11.727 -5.761 617 HG22 VAL 82 1HG2 VAL 82 -0.873 -10.118 -5.055 618 HG23 VAL 82 2HG2 VAL 82 0.254 -10.764 -6.269 619 H LYS 83 HN LYS 83 3.566 -13.611 -4.687 620 HA LYS 83 HA LYS 83 3.398 -15.251 -2.308 621 HB2 LYS 83 2HB LYS 83 5.626 -14.200 -4.054 622 HB3 LYS 83 3HB LYS 83 5.970 -15.045 -2.526 623 HG2 LYS 83 2HG LYS 83 4.583 -16.144 -4.972 624 HG3 LYS 83 3HG LYS 83 6.166 -16.613 -4.307 625 HD2 LYS 83 2HD LYS 83 4.896 -17.201 -2.169 626 HD3 LYS 83 3HD LYS 83 3.422 -17.085 -3.159 627 HE2 LYS 83 2HE LYS 83 5.740 -19.005 -3.447 628 HE3 LYS 83 3HE LYS 83 4.025 -19.374 -3.162 629 HZ1 LYS 83 3HZ LYS 83 5.143 -18.223 -5.628 630 HZ2 LYS 83 1HZ LYS 83 4.659 -19.785 -5.433 631 HZ3 LYS 83 2HZ LYS 83 3.552 -18.566 -5.365 632 H ALA 84 HN ALA 84 4.890 -12.097 -3.128 633 HA ALA 84 HA ALA 84 4.498 -11.128 -0.412 634 HB1 ALA 84 1HB ALA 84 6.893 -10.788 0.064 635 HB2 ALA 84 2HB ALA 84 6.510 -12.516 -0.113 636 HB3 ALA 84 3HB ALA 84 7.313 -11.641 -1.439 637 H ILE 85 HN ILE 85 5.893 -8.967 -0.225 638 HA ILE 85 HA ILE 85 5.544 -7.525 -2.815 639 HB ILE 85 HB ILE 85 5.262 -6.398 0.004 640 HG12 ILE 85 2HG1 ILE 85 3.123 -7.053 -2.047 641 HG13 ILE 85 3HG1 ILE 85 3.443 -7.960 -0.549 642 HG21 ILE 85 1HG2 ILE 85 4.368 -4.401 -1.128 643 HG22 ILE 85 2HG2 ILE 85 6.031 -4.754 -1.650 644 HG23 ILE 85 3HG2 ILE 85 4.660 -5.167 -2.706 645 HD11 ILE 85 3HD1 ILE 85 2.528 -5.080 -0.725 646 HD12 ILE 85 1HD1 ILE 85 1.507 -6.466 -0.291 647 HD13 ILE 85 2HD1 ILE 85 2.846 -5.987 0.773 648 H GLU 86 HN GLU 86 7.295 -6.387 -3.566 649 HA GLU 86 HA GLU 86 9.725 -6.558 -1.856 650 HB2 GLU 86 2HB GLU 86 10.991 -6.462 -3.945 651 HB3 GLU 86 3HB GLU 86 9.849 -7.826 -3.933 652 HG2 GLU 86 2HG GLU 86 8.328 -6.611 -5.373 653 HG3 GLU 86 3HG GLU 86 9.378 -5.178 -5.321 654 HE2 GLU 86 2HE GLU 86 11.766 -6.823 -7.384 655 H GLY 87 HN GLY 87 7.455 -4.427 -2.241 656 HA2 GLY 87 1HA GLY 87 8.345 -2.167 -1.371 657 HA3 GLY 87 2HA GLY 87 9.224 -2.138 -2.917 658 H VAL 88 HN VAL 88 8.280 -1.072 -4.507 659 HA VAL 88 HA VAL 88 5.420 -0.444 -4.337 660 HB VAL 88 HB VAL 88 7.133 1.249 -5.040 661 HG11 VAL 88 1HG1 VAL 88 8.036 1.170 -7.325 662 HG12 VAL 88 2HG1 VAL 88 8.585 -0.216 -6.355 663 HG13 VAL 88 3HG1 VAL 88 7.292 -0.427 -7.561 664 HG21 VAL 88 3HG2 VAL 88 4.768 1.540 -5.588 665 HG22 VAL 88 1HG2 VAL 88 5.802 2.198 -6.877 666 HG23 VAL 88 2HG2 VAL 88 4.997 0.628 -7.100 667 H LYS 89 HN LYS 89 7.285 -2.983 -5.443 668 HA LYS 89 HA LYS 89 5.260 -3.683 -7.512 669 HB2 LYS 89 2HB LYS 89 8.126 -4.646 -7.279 670 HB3 LYS 89 3HB LYS 89 6.963 -5.074 -8.557 671 HG2 LYS 89 2HG LYS 89 6.885 -2.646 -9.176 672 HG3 LYS 89 3HG LYS 89 8.217 -2.373 -8.027 673 HD2 LYS 89 2HD LYS 89 8.256 -4.179 -10.464 674 HD3 LYS 89 3HD LYS 89 9.103 -2.626 -10.273 675 HE2 LYS 89 2HE LYS 89 10.489 -3.557 -8.503 676 HE3 LYS 89 3HE LYS 89 9.594 -5.091 -8.570 677 HZ1 LYS 89 3HZ LYS 89 11.214 -3.956 -10.752 678 HZ2 LYS 89 1HZ LYS 89 11.655 -5.212 -9.781 679 HZ3 LYS 89 2HZ LYS 89 10.383 -5.379 -10.814 680 H LEU 90 HN LEU 90 4.798 -5.989 -7.711 681 HA LEU 90 HA LEU 90 4.837 -7.279 -5.030 682 HB2 LEU 90 2HB LEU 90 3.012 -7.831 -7.388 683 HB3 LEU 90 3HB LEU 90 2.874 -8.496 -5.743 684 HG LEU 90 HG LEU 90 2.451 -5.615 -6.572 685 HD11 LEU 90 1HD1 LEU 90 0.114 -6.044 -5.929 686 HD12 LEU 90 2HD1 LEU 90 0.639 -7.131 -7.235 687 HD13 LEU 90 3HD1 LEU 90 0.526 -7.736 -5.564 688 HD21 LEU 90 3HD2 LEU 90 3.458 -5.763 -4.340 689 HD22 LEU 90 1HD2 LEU 90 1.761 -5.240 -4.240 690 HD23 LEU 90 2HD2 LEU 90 2.198 -6.918 -3.844 691 H VAL 91 HN VAL 91 5.410 -9.432 -4.833 692 HA VAL 91 HA VAL 91 6.894 -10.541 -7.145 693 HB VAL 91 HB VAL 91 6.826 -11.508 -4.258 694 HG11 VAL 91 1HG1 VAL 91 8.814 -12.809 -4.895 695 HG12 VAL 91 2HG1 VAL 91 7.403 -13.252 -5.883 696 HG13 VAL 91 3HG1 VAL 91 8.673 -12.206 -6.563 697 HG21 VAL 91 3HG2 VAL 91 7.810 -9.265 -4.411 698 HG22 VAL 91 1HG2 VAL 91 9.052 -10.481 -4.035 699 HG23 VAL 91 2HG2 VAL 91 8.917 -9.831 -5.685 700 H VAL 92 HN VAL 92 5.467 -11.548 -8.466 701 HA VAL 92 HA VAL 92 3.530 -13.390 -7.153 702 HB VAL 92 HB VAL 92 2.019 -13.045 -9.049 703 HG11 VAL 92 1HG1 VAL 92 1.357 -10.721 -8.597 704 HG12 VAL 92 2HG1 VAL 92 1.798 -11.576 -7.101 705 HG13 VAL 92 3HG1 VAL 92 2.936 -10.420 -7.836 706 HG21 VAL 92 3HG2 VAL 92 3.698 -12.610 -10.780 707 HG22 VAL 92 1HG2 VAL 92 2.468 -11.326 -10.749 708 HG23 VAL 92 2HG2 VAL 92 4.071 -11.038 -10.033 709 H GLU 93 HN GLU 93 2.989 -15.322 -8.292 710 HA GLU 93 HA GLU 93 4.820 -16.046 -10.499 711 HB2 GLU 93 2HB GLU 93 4.327 -17.764 -8.050 712 HB3 GLU 93 3HB GLU 93 5.211 -18.260 -9.513 713 HG2 GLU 93 2HG GLU 93 6.884 -16.515 -9.081 714 HG3 GLU 93 3HG GLU 93 6.006 -16.044 -7.610 715 HE2 GLU 93 2HE GLU 93 8.306 -19.248 -7.512 716 H LYS 94 HN LYS 94 4.055 -17.909 -11.701 717 HA LYS 94 HA LYS 94 1.262 -17.540 -12.247 718 HB2 LYS 94 2HB LYS 94 3.089 -18.104 -13.911 719 HB3 LYS 94 3HB LYS 94 3.068 -19.759 -13.254 720 HG2 LYS 94 2HG LYS 94 0.666 -19.921 -13.869 721 HG3 LYS 94 3HG LYS 94 0.785 -18.314 -14.625 722 HD2 LYS 94 2HD LYS 94 1.031 -19.906 -16.376 723 HD3 LYS 94 3HD LYS 94 2.654 -19.250 -16.054 724 HE2 LYS 94 2HE LYS 94 2.778 -21.659 -16.345 725 HE3 LYS 94 3HE LYS 94 3.158 -21.231 -14.662 726 HZ1 LYS 94 3HZ LYS 94 0.562 -22.236 -15.630 727 HZ2 LYS 94 1HZ LYS 94 1.676 -23.112 -14.788 728 HZ3 LYS 94 2HZ LYS 94 0.915 -21.839 -14.068 729 H LEU 95 HN LEU 95 -0.483 -18.814 -11.810 730 HA LEU 95 HA LEU 95 -0.588 -20.611 -9.688 731 HB2 LEU 95 2HB LEU 95 -2.231 -19.972 -12.048 732 HB3 LEU 95 3HB LEU 95 -2.465 -21.618 -11.409 733 HG LEU 95 HG LEU 95 -2.977 -20.660 -9.193 734 HD11 LEU 95 1HD1 LEU 95 -3.409 -18.249 -8.974 735 HD12 LEU 95 2HD1 LEU 95 -1.710 -18.571 -9.392 736 HD13 LEU 95 3HD1 LEU 95 -2.840 -17.998 -10.641 737 HD21 LEU 95 3HD2 LEU 95 -4.771 -21.196 -10.778 738 HD22 LEU 95 1HD2 LEU 95 -5.197 -19.782 -9.786 739 HD23 LEU 95 2HD2 LEU 95 -4.659 -19.557 -11.467 740 H GLU 96 HN GLU 96 -0.625 -22.870 -9.532 741 HA GLU 96 HA GLU 96 1.647 -24.021 -10.815 742 HB2 GLU 96 2HB GLU 96 1.106 -25.995 -9.503 743 HB3 GLU 96 3HB GLU 96 0.899 -24.530 -8.513 744 HG2 GLU 96 2HG GLU 96 -1.571 -24.654 -9.110 745 HG3 GLU 96 3HG GLU 96 -1.233 -26.280 -9.743 746 HE2 GLU 96 2HE GLU 96 -0.959 -27.601 -6.555 747 H GLU 97 HN GLU 97 1.795 -25.962 -12.044 748 HA GLU 97 HA GLU 97 -0.063 -26.274 -14.181 749 HB2 GLU 97 2HB GLU 97 2.206 -27.899 -13.065 750 HB3 GLU 97 3HB GLU 97 1.132 -28.608 -14.294 751 HG2 GLU 97 2HG GLU 97 3.199 -27.623 -15.233 752 HG3 GLU 97 3HG GLU 97 1.709 -26.897 -15.876 753 HE2 GLU 97 2HE GLU 97 4.045 -24.630 -13.583 754 H GLN 98 HN GLN 98 -1.901 -27.438 -14.371 755 HA GLN 98 HA GLN 98 -3.165 -28.129 -11.884 756 HB2 GLN 98 2HB GLN 98 -4.116 -28.556 -14.732 757 HB3 GLN 98 3HB GLN 98 -5.121 -28.614 -13.264 758 HG2 GLN 98 2HG GLN 98 -4.473 -26.230 -12.827 759 HG3 GLN 98 3HG GLN 98 -3.679 -26.215 -14.416 760 HE21 GLN 98 1HE2 GLN 98 -5.009 -24.604 -15.246 761 HE22 GLN 98 2HE2 GLN 98 -6.691 -24.892 -15.638 762 H LYS 99 HN LYS 99 -1.138 -29.956 -13.907 763 HA LYS 99 HA LYS 99 -1.649 -32.299 -12.277 764 HB2 LYS 99 2HB LYS 99 -3.432 -32.388 -14.096 765 HB3 LYS 99 3HB LYS 99 -2.102 -32.618 -15.256 766 HG2 LYS 99 2HG LYS 99 -1.402 -34.632 -13.956 767 HG3 LYS 99 3HG LYS 99 -2.853 -34.430 -12.947 768 HD2 LYS 99 2HD LYS 99 -2.945 -34.746 -15.956 769 HD3 LYS 99 3HD LYS 99 -3.036 -36.115 -14.823 770 HE2 LYS 99 2HE LYS 99 -5.270 -35.630 -15.321 771 HE3 LYS 99 3HE LYS 99 -4.995 -34.862 -13.743 772 HZ1 LYS 99 3HZ LYS 99 -4.968 -33.487 -16.344 773 HZ2 LYS 99 1HZ LYS 99 -6.185 -33.420 -15.236 774 HZ3 LYS 99 2HZ LYS 99 -4.713 -32.775 -14.878 775 H GLY 100 HN GLY 100 0.572 -30.567 -12.685 776 HA2 GLY 100 1HA GLY 100 2.829 -30.667 -13.093 777 HA3 GLY 100 2HA GLY 100 2.646 -32.436 -13.053 778 H SER 101 HN SER 101 3.030 -33.542 -14.851 779 HA SER 101 HA SER 101 2.656 -32.198 -17.463 780 HB2 SER 101 2HB SER 101 5.169 -33.683 -16.607 781 HB3 SER 101 3HB SER 101 4.808 -33.146 -18.266 782 HG SER 101 HG SER 101 6.127 -31.651 -17.114 Start of MODEL 16 1 H1 MET 1 HN MET 1 -25.692 44.139 -10.412 2 HA MET 1 HA MET 1 -23.426 45.724 -11.071 3 HB2 MET 1 2HB MET 1 -22.930 46.916 -9.055 4 HB3 MET 1 3HB MET 1 -24.568 47.385 -9.569 5 HG2 MET 1 2HG MET 1 -23.982 45.322 -7.432 6 HG3 MET 1 3HG MET 1 -24.283 47.036 -7.102 7 HE1 MET 1 3HE MET 1 -26.551 47.928 -8.986 8 HE2 MET 1 1HE MET 1 -28.007 47.523 -8.049 9 HE3 MET 1 2HE MET 1 -26.582 48.200 -7.227 10 H GLY 2 HN GLY 2 -21.522 44.738 -10.409 11 HA2 GLY 2 1HA GLY 2 -21.305 42.977 -8.218 12 HA3 GLY 2 2HA GLY 2 -21.731 42.016 -9.651 13 H SER 3 HN SER 3 -19.463 44.566 -8.575 14 HA SER 3 HA SER 3 -17.493 43.628 -10.548 15 HB2 SER 3 2HB SER 3 -17.204 45.801 -8.447 16 HB3 SER 3 3HB SER 3 -16.197 45.547 -9.893 17 HG SER 3 HG SER 3 -17.766 47.205 -10.181 18 H SER 4 HN SER 4 -16.822 41.619 -9.870 19 HA SER 4 HA SER 4 -16.064 41.198 -7.088 20 HB2 SER 4 2HB SER 4 -15.317 38.938 -8.012 21 HB3 SER 4 3HB SER 4 -17.049 39.325 -8.155 22 HG SER 4 HG SER 4 -16.164 38.473 -10.101 23 H HIS 5 HN HIS 5 -14.473 42.900 -6.958 24 HA HIS 5 HA HIS 5 -11.910 42.190 -8.286 25 HB2 HIS 5 2HB HIS 5 -12.980 44.787 -7.169 26 HB3 HIS 5 3HB HIS 5 -11.250 44.540 -7.470 27 HD1 HIS 5 1HD HIS 5 -13.155 46.614 -8.987 28 HD2 HIS 5 2HD HIS 5 -11.870 42.903 -10.409 29 HE1 HIS 5 1HE HIS 5 -13.256 46.755 -11.518 30 HE2 HIS 5 2HE HIS 5 -12.466 44.498 -12.379 31 H HIS 6 HN HIS 6 -10.281 41.455 -7.128 32 HA HIS 6 HA HIS 6 -10.000 42.127 -4.305 33 HB2 HIS 6 2HB HIS 6 -9.810 39.657 -3.678 34 HB3 HIS 6 3HB HIS 6 -11.442 40.319 -3.890 35 HD1 HIS 6 1HD HIS 6 -9.025 37.842 -5.340 36 HD2 HIS 6 2HD HIS 6 -12.858 39.316 -6.108 37 HE1 HIS 6 1HE HIS 6 -10.054 36.280 -7.049 38 HE2 HIS 6 2HE HIS 6 -12.380 37.181 -7.516 39 H HIS 7 HN HIS 7 -7.906 42.422 -3.930 40 HA HIS 7 HA HIS 7 -6.013 41.153 -5.842 41 HB2 HIS 7 2HB HIS 7 -6.005 43.843 -4.475 42 HB3 HIS 7 3HB HIS 7 -4.507 43.118 -5.088 43 HD1 HIS 7 1HD HIS 7 -7.543 44.953 -6.148 44 HD2 HIS 7 2HD HIS 7 -4.456 42.786 -7.942 45 HE1 HIS 7 1HE HIS 7 -7.611 45.529 -8.615 46 HE2 HIS 7 2HE HIS 7 -5.731 44.216 -9.699 47 H HIS 8 HN HIS 8 -4.127 40.284 -5.130 48 HA HIS 8 HA HIS 8 -3.598 40.220 -2.213 49 HB2 HIS 8 2HB HIS 8 -4.920 38.180 -2.855 50 HB3 HIS 8 3HB HIS 8 -3.631 37.760 -3.997 51 HD1 HIS 8 1HD HIS 8 -4.599 37.575 -0.431 52 HD2 HIS 8 2HD HIS 8 -1.154 36.994 -2.727 53 HE1 HIS 8 1HE HIS 8 -2.971 36.306 1.042 54 HE2 HIS 8 2HE HIS 8 -0.882 35.958 -0.358 55 H HIS 9 HN HIS 9 -1.573 41.007 -2.035 56 HA HIS 9 HA HIS 9 0.059 41.323 -4.371 57 HB2 HIS 9 2HB HIS 9 0.037 42.896 -2.435 58 HB3 HIS 9 3HB HIS 9 0.858 41.660 -1.464 59 HD1 HIS 9 1HD HIS 9 3.268 42.256 -1.247 60 HD2 HIS 9 2HD HIS 9 1.766 43.151 -5.045 61 HE1 HIS 9 1HE HIS 9 5.221 43.159 -2.588 62 HE2 HIS 9 2HE HIS 9 4.301 43.695 -4.890 63 H HIS 10 HN HIS 10 1.024 39.717 -5.344 64 HA HIS 10 HA HIS 10 1.876 37.298 -4.071 65 HB2 HIS 10 2HB HIS 10 1.336 37.653 -6.522 66 HB3 HIS 10 3HB HIS 10 2.883 38.506 -6.667 67 HD1 HIS 10 1HD HIS 10 5.078 37.009 -6.142 68 HD2 HIS 10 2HD HIS 10 1.503 34.936 -6.759 69 HE1 HIS 10 1HE HIS 10 5.729 34.614 -6.641 70 HE2 HIS 10 2HE HIS 10 3.556 33.358 -7.021 71 H SER 11 HN SER 11 3.755 36.786 -3.073 72 HA SER 11 HA SER 11 5.567 38.740 -2.191 73 HB2 SER 11 2HB SER 11 7.110 36.611 -1.964 74 HB3 SER 11 3HB SER 11 5.647 36.782 -0.962 75 HG SER 11 HG SER 11 5.805 34.715 -1.960 76 H SER 12 HN SER 12 7.237 39.770 -3.067 77 HA SER 12 HA SER 12 8.430 38.687 -5.549 78 HB2 SER 12 2HB SER 12 7.396 41.535 -5.267 79 HB3 SER 12 3HB SER 12 8.204 40.832 -6.689 80 HG SER 12 HG SER 12 5.912 40.852 -6.887 81 H GLY 13 HN GLY 13 10.539 39.456 -5.984 82 HA2 GLY 13 1HA GLY 13 12.066 41.395 -5.061 83 HA3 GLY 13 2HA GLY 13 11.872 40.476 -3.552 84 H ARG 14 HN ARG 14 14.040 39.912 -3.383 85 HA ARG 14 HA ARG 14 14.800 37.664 -5.105 86 HB2 ARG 14 2HB ARG 14 15.608 39.910 -6.132 87 HB3 ARG 14 3HB ARG 14 16.774 39.917 -4.787 88 HG2 ARG 14 2HG ARG 14 17.631 37.735 -5.533 89 HG3 ARG 14 3HG ARG 14 16.482 37.758 -6.893 90 HD2 ARG 14 2HD ARG 14 17.545 40.031 -7.488 91 HD3 ARG 14 3HD ARG 14 18.852 39.553 -6.384 92 HE ARG 14 HE ARG 14 18.162 37.606 -8.459 93 HH11 ARG 14 2HH1 ARG 14 20.286 40.178 -7.342 94 HH12 ARG 14 1HH1 ARG 14 21.531 39.836 -8.522 95 HH21 ARG 14 2HH2 ARG 14 19.765 37.200 -10.031 96 HH22 ARG 14 1HH2 ARG 14 21.235 38.147 -10.048 97 H GLU 15 HN GLU 15 14.701 36.392 -3.287 98 HA GLU 15 HA GLU 15 16.991 36.749 -1.444 99 HB2 GLU 15 2HB GLU 15 14.950 37.700 -0.356 100 HB3 GLU 15 3HB GLU 15 14.175 36.104 -0.512 101 HG2 GLU 15 2HG GLU 15 15.972 35.132 0.885 102 HG3 GLU 15 3HG GLU 15 16.661 36.757 1.091 103 HE2 GLU 15 2HE GLU 15 14.144 37.665 3.343 104 H ASN 16 HN ASN 16 18.159 35.005 -1.934 105 HA ASN 16 HA ASN 16 18.757 32.820 -2.286 106 HB2 ASN 16 2HB ASN 16 17.153 32.605 -0.198 107 HB3 ASN 16 3HB ASN 16 16.065 31.834 -1.373 108 HD21 ASN 16 1HD2 ASN 16 17.321 30.665 0.980 109 HD22 ASN 16 2HD2 ASN 16 18.294 29.329 0.406 110 H LEU 17 HN LEU 17 17.436 30.604 -3.281 111 HA LEU 17 HA LEU 17 16.711 31.531 -5.950 112 HB2 LEU 17 2HB LEU 17 16.787 28.752 -4.740 113 HB3 LEU 17 3HB LEU 17 16.526 29.126 -6.460 114 HG LEU 17 HG LEU 17 19.034 29.708 -4.865 115 HD11 LEU 17 1HD1 LEU 17 20.058 27.965 -6.275 116 HD12 LEU 17 2HD1 LEU 17 18.712 27.315 -5.312 117 HD13 LEU 17 3HD1 LEU 17 18.482 27.662 -7.043 118 HD21 LEU 17 3HD2 LEU 17 18.623 31.379 -6.613 119 HD22 LEU 17 1HD2 LEU 17 20.005 30.344 -7.035 120 HD23 LEU 17 2HD2 LEU 17 18.430 30.081 -7.816 121 H TYR 18 HN TYR 18 14.720 30.935 -7.034 122 HA TYR 18 HA TYR 18 12.465 31.536 -5.334 123 HB2 TYR 18 2HB TYR 18 12.670 30.838 -8.279 124 HB3 TYR 18 3HB TYR 18 11.158 31.284 -7.470 125 HD1 TYR 18 1HD TYR 18 10.833 33.590 -6.627 126 HD2 TYR 18 2HD TYR 18 14.321 32.519 -8.829 127 HE1 TYR 18 1HE TYR 18 11.332 35.966 -6.990 128 HE2 TYR 18 2HE TYR 18 14.820 34.896 -9.191 129 HH TYR 18 HH TYR 18 14.175 37.044 -8.854 130 H PHE 19 HN PHE 19 12.175 29.878 -3.883 131 HA PHE 19 HA PHE 19 10.933 27.457 -5.103 132 HB2 PHE 19 2HB PHE 19 12.558 27.652 -2.544 133 HB3 PHE 19 3HB PHE 19 11.579 26.247 -3.001 134 HD1 PHE 19 2HD PHE 19 12.141 25.177 -5.312 135 HD2 PHE 19 1HD PHE 19 14.790 27.734 -3.169 136 HE1 PHE 19 2HE PHE 19 14.043 24.249 -6.559 137 HE2 PHE 19 1HE PHE 19 16.692 26.806 -4.412 138 HZ PHE 19 HZ PHE 19 16.326 25.063 -6.110 139 H GLN 20 HN GLN 20 8.834 28.263 -5.021 140 HA GLN 20 HA GLN 20 7.882 29.388 -2.477 141 HB2 GLN 20 2HB GLN 20 6.538 28.948 -5.156 142 HB3 GLN 20 3HB GLN 20 5.741 29.669 -3.736 143 HG2 GLN 20 2HG GLN 20 7.422 31.476 -3.743 144 HG3 GLN 20 3HG GLN 20 8.153 30.769 -5.200 145 HE21 GLN 20 1HE2 GLN 20 7.075 30.907 -7.191 146 HE22 GLN 20 2HE2 GLN 20 5.736 32.007 -7.442 147 H GLY 21 HN GLY 21 5.370 28.602 -2.156 148 HA2 GLY 21 1HA GLY 21 5.768 25.795 -1.362 149 HA3 GLY 21 2HA GLY 21 4.514 26.907 -0.769 150 H HIS 22 HN HIS 22 3.148 24.975 -1.116 151 HA HIS 22 HA HIS 22 2.585 24.357 -3.941 152 HB2 HIS 22 2HB HIS 22 1.478 23.217 -1.353 153 HB3 HIS 22 3HB HIS 22 1.052 22.653 -2.980 154 HD1 HIS 22 1HD HIS 22 3.674 22.413 -0.348 155 HD2 HIS 22 2HD HIS 22 3.139 21.264 -4.330 156 HE1 HIS 22 1HE HIS 22 5.495 20.721 -0.847 157 HE2 HIS 22 2HE HIS 22 5.166 20.032 -3.269 158 H MET 23 HN MET 23 0.732 24.856 -5.000 159 HA MET 23 HA MET 23 -1.164 26.632 -3.545 160 HB2 MET 23 2HB MET 23 -1.691 27.582 -5.802 161 HB3 MET 23 3HB MET 23 -0.041 27.910 -5.220 162 HG2 MET 23 2HG MET 23 -0.684 25.657 -7.127 163 HG3 MET 23 3HG MET 23 -0.307 27.299 -7.676 164 HE1 MET 23 3HE MET 23 1.720 26.398 -9.137 165 HE2 MET 23 1HE MET 23 3.008 25.345 -8.509 166 HE3 MET 23 2HE MET 23 1.340 24.737 -8.620 167 H ALA 24 HN ALA 24 -0.798 23.568 -4.663 168 HA ALA 24 HA ALA 24 -3.403 23.166 -5.861 169 HB1 ALA 24 1HB ALA 24 -2.875 20.771 -5.632 170 HB2 ALA 24 2HB ALA 24 -1.513 21.670 -6.342 171 HB3 ALA 24 3HB ALA 24 -1.461 21.180 -4.631 172 H ALA 25 HN ALA 25 -5.297 23.037 -4.870 173 HA ALA 25 HA ALA 25 -5.324 23.075 -1.932 174 HB1 ALA 25 1HB ALA 25 -7.710 23.635 -2.194 175 HB2 ALA 25 2HB ALA 25 -6.681 24.700 -3.181 176 HB3 ALA 25 3HB ALA 25 -7.577 23.368 -3.949 177 H ARG 26 HN ARG 26 -5.027 20.642 -4.007 178 HA ARG 26 HA ARG 26 -6.510 18.806 -2.246 179 HB2 ARG 26 2HB ARG 26 -7.540 17.597 -4.075 180 HB3 ARG 26 3HB ARG 26 -8.084 19.292 -4.079 181 HG2 ARG 26 2HG ARG 26 -5.858 18.296 -5.859 182 HG3 ARG 26 3HG ARG 26 -7.572 18.227 -6.334 183 HD2 ARG 26 2HD ARG 26 -7.706 20.698 -5.925 184 HD3 ARG 26 3HD ARG 26 -5.949 20.698 -5.664 185 HE ARG 26 HE ARG 26 -5.676 19.977 -7.990 186 HH11 ARG 26 2HH1 ARG 26 -8.763 21.352 -7.010 187 HH12 ARG 26 1HH1 ARG 26 -9.256 21.744 -8.641 188 HH21 ARG 26 2HH2 ARG 26 -6.349 20.453 -10.134 189 HH22 ARG 26 1HH2 ARG 26 -7.888 21.235 -10.411 190 H ILE 27 HN ILE 27 -5.947 16.466 -2.887 191 HA ILE 27 HA ILE 27 -4.312 14.876 -3.006 192 HB ILE 27 HB ILE 27 -2.812 16.713 -4.911 193 HG12 ILE 27 2HG1 ILE 27 -5.144 16.602 -5.640 194 HG13 ILE 27 3HG1 ILE 27 -4.087 15.691 -6.746 195 HG21 ILE 27 1HG2 ILE 27 -2.049 14.602 -5.933 196 HG22 ILE 27 2HG2 ILE 27 -1.615 14.683 -4.211 197 HG23 ILE 27 3HG2 ILE 27 -2.993 13.686 -4.737 198 HD11 ILE 27 3HD1 ILE 27 -5.859 14.501 -4.594 199 HD12 ILE 27 1HD1 ILE 27 -6.198 14.490 -6.337 200 HD13 ILE 27 2HD1 ILE 27 -4.804 13.591 -5.702 201 H THR 28 HN THR 28 -1.640 14.759 -2.882 202 HA THR 28 HA THR 28 0.271 15.289 -1.749 203 HB THR 28 HB THR 28 -0.995 17.927 -0.926 204 HG1 THR 28 1HG THR 28 0.041 18.731 -2.831 205 HG21 THR 28 3HG2 THR 28 1.898 17.067 -1.283 206 HG22 THR 28 1HG2 THR 28 1.349 18.692 -0.815 207 HG23 THR 28 2HG2 THR 28 1.066 17.313 0.271 208 H GLY 29 HN GLY 29 -2.589 16.502 0.089 209 HA2 GLY 29 1HA GLY 29 -1.834 14.616 2.242 210 HA3 GLY 29 2HA GLY 29 -2.036 16.337 2.640 211 H GLU 30 HN GLU 30 -3.636 13.365 1.653 212 HA GLU 30 HA GLU 30 -6.252 14.686 2.212 213 HB2 GLU 30 2HB GLU 30 -5.695 12.374 0.323 214 HB3 GLU 30 3HB GLU 30 -7.280 13.118 0.644 215 HG2 GLU 30 2HG GLU 30 -6.335 15.277 -0.231 216 HG3 GLU 30 3HG GLU 30 -4.894 14.366 -0.732 217 HE2 GLU 30 2HE GLU 30 -6.706 12.749 -3.284 218 HA PRO 31 HA PRO 31 -6.782 11.660 5.371 219 HB2 PRO 31 2HB PRO 31 -9.509 11.585 5.603 220 HB3 PRO 31 3HB PRO 31 -8.546 13.046 6.001 221 HG2 PRO 31 2HG PRO 31 -10.023 12.423 3.483 222 HG3 PRO 31 3HG PRO 31 -10.068 13.926 4.460 223 HD2 PRO 31 2HD PRO 31 -8.541 13.633 2.204 224 HD3 PRO 31 3HD PRO 31 -8.018 14.634 3.593 225 H SER 32 HN SER 32 -7.618 11.004 2.170 226 HA SER 32 HA SER 32 -9.057 8.547 2.465 227 HB2 SER 32 2HB SER 32 -8.223 8.193 0.074 228 HB3 SER 32 3HB SER 32 -9.169 9.672 0.371 229 HG SER 32 HG SER 32 -7.255 10.070 -0.844 230 H LYS 33 HN LYS 33 -8.225 6.386 1.808 231 HA LYS 33 HA LYS 33 -5.830 5.848 3.396 232 HB2 LYS 33 2HB LYS 33 -7.946 4.483 3.474 233 HB3 LYS 33 3HB LYS 33 -7.551 3.903 1.839 234 HG2 LYS 33 2HG LYS 33 -6.873 2.282 3.535 235 HG3 LYS 33 3HG LYS 33 -5.457 2.941 2.684 236 HD2 LYS 33 2HD LYS 33 -5.090 4.520 4.550 237 HD3 LYS 33 3HD LYS 33 -6.481 3.811 5.405 238 HE2 LYS 33 2HE LYS 33 -5.359 1.648 5.488 239 HE3 LYS 33 3HE LYS 33 -3.986 2.305 4.570 240 HZ1 LYS 33 3HZ LYS 33 -4.850 3.202 7.239 241 HZ2 LYS 33 1HZ LYS 33 -3.539 2.253 6.921 242 HZ3 LYS 33 2HZ LYS 33 -3.576 3.812 6.386 243 H LYS 34 HN LYS 34 -3.849 5.387 2.681 244 HA LYS 34 HA LYS 34 -3.486 5.080 -0.263 245 HB2 LYS 34 2HB LYS 34 -1.761 6.440 1.828 246 HB3 LYS 34 3HB LYS 34 -1.211 6.078 0.174 247 HG2 LYS 34 2HG LYS 34 -2.890 7.552 -0.754 248 HG3 LYS 34 3HG LYS 34 -3.579 7.838 0.862 249 HD2 LYS 34 2HD LYS 34 -2.134 9.699 0.167 250 HD3 LYS 34 3HD LYS 34 -1.471 8.861 1.590 251 HE2 LYS 34 2HE LYS 34 -0.025 7.531 -0.023 252 HE3 LYS 34 3HE LYS 34 -0.548 8.661 -1.290 253 HZ1 LYS 34 3HZ LYS 34 0.857 9.401 1.193 254 HZ2 LYS 34 1HZ LYS 34 1.534 9.328 -0.309 255 HZ3 LYS 34 2HZ LYS 34 0.372 10.451 0.016 256 H ALA 35 HN ALA 35 -1.091 4.241 -0.603 257 HA ALA 35 HA ALA 35 0.522 2.672 -0.356 258 HB1 ALA 35 1HB ALA 35 1.031 1.713 1.854 259 HB2 ALA 35 2HB ALA 35 0.778 3.471 1.946 260 HB3 ALA 35 3HB ALA 35 -0.503 2.356 2.483 261 H VAL 36 HN VAL 36 0.756 0.243 0.687 262 HA VAL 36 HA VAL 36 -1.666 -1.231 -0.203 263 HB VAL 36 HB VAL 36 -0.027 -1.226 -2.040 264 HG11 VAL 36 1HG1 VAL 36 2.172 -2.299 -1.795 265 HG12 VAL 36 2HG1 VAL 36 2.013 -0.881 -0.734 266 HG13 VAL 36 3HG1 VAL 36 1.866 -2.521 -0.058 267 HG21 VAL 36 3HG2 VAL 36 -1.429 -3.202 -1.717 268 HG22 VAL 36 1HG2 VAL 36 0.162 -3.654 -2.369 269 HG23 VAL 36 2HG2 VAL 36 -0.197 -3.912 -0.647 270 H SER 37 HN SER 37 -2.116 -3.113 0.936 271 HA SER 37 HA SER 37 -0.377 -3.509 3.320 272 HB2 SER 37 2HB SER 37 -2.752 -2.577 3.637 273 HB3 SER 37 3HB SER 37 -3.317 -4.201 3.178 274 HG SER 37 HG SER 37 -3.064 -3.957 5.451 275 H ASP 38 HN ASP 38 -1.240 -5.868 4.286 276 HA ASP 38 HA ASP 38 0.008 -7.606 2.262 277 HB2 ASP 38 2HB ASP 38 0.493 -9.092 4.125 278 HB3 ASP 38 3HB ASP 38 0.987 -7.433 4.528 279 HD2 ASP 38 2HD ASP 38 -1.532 -7.171 6.966 280 H ARG 39 HN ARG 39 -3.117 -6.862 2.830 281 HA ARG 39 HA ARG 39 -4.166 -9.565 3.058 282 HB2 ARG 39 2HB ARG 39 -5.309 -6.844 2.809 283 HB3 ARG 39 3HB ARG 39 -6.292 -8.181 2.164 284 HG2 ARG 39 2HG ARG 39 -5.196 -7.991 4.985 285 HG3 ARG 39 3HG ARG 39 -6.870 -7.641 4.492 286 HD2 ARG 39 2HD ARG 39 -6.960 -9.843 5.316 287 HD3 ARG 39 3HD ARG 39 -6.903 -10.039 3.551 288 HE ARG 39 HE ARG 39 -4.397 -10.218 5.127 289 HH11 ARG 39 2HH1 ARG 39 -6.857 -11.756 3.120 290 HH12 ARG 39 1HH1 ARG 39 -5.893 -13.185 2.821 291 HH21 ARG 39 2HH2 ARG 39 -3.157 -12.078 4.728 292 HH22 ARG 39 1HH2 ARG 39 -3.798 -13.366 3.732 293 H LEU 40 HN LEU 40 -2.791 -7.778 0.538 294 HA LEU 40 HA LEU 40 -4.294 -9.121 -1.583 295 HB2 LEU 40 2HB LEU 40 -1.708 -7.543 -1.673 296 HB3 LEU 40 3HB LEU 40 -2.664 -8.077 -3.076 297 HG LEU 40 HG LEU 40 -3.473 -6.047 -0.978 298 HD11 LEU 40 1HD1 LEU 40 -3.446 -4.472 -2.868 299 HD12 LEU 40 2HD1 LEU 40 -1.853 -5.228 -2.626 300 HD13 LEU 40 3HD1 LEU 40 -2.910 -5.780 -3.947 301 HD21 LEU 40 3HD2 LEU 40 -5.408 -7.390 -1.677 302 HD22 LEU 40 1HD2 LEU 40 -5.522 -5.733 -2.312 303 HD23 LEU 40 2HD2 LEU 40 -5.025 -7.062 -3.384 304 H ILE 41 HN ILE 41 -1.719 -9.802 0.550 305 HA ILE 41 HA ILE 41 -0.281 -11.634 -1.170 306 HB ILE 41 HB ILE 41 -0.256 -11.369 1.865 307 HG12 ILE 41 2HG1 ILE 41 0.372 -9.282 0.755 308 HG13 ILE 41 3HG1 ILE 41 1.770 -10.038 1.556 309 HG21 ILE 41 1HG2 ILE 41 1.917 -12.518 1.738 310 HG22 ILE 41 2HG2 ILE 41 0.608 -13.529 1.085 311 HG23 ILE 41 3HG2 ILE 41 1.722 -12.691 -0.021 312 HD11 ILE 41 3HD1 ILE 41 1.150 -10.136 -1.405 313 HD12 ILE 41 1HD1 ILE 41 2.390 -9.121 -0.639 314 HD13 ILE 41 2HD1 ILE 41 2.549 -10.890 -0.603 315 H GLY 42 HN GLY 42 -0.808 -13.646 -1.664 316 HA2 GLY 42 1HA GLY 42 -1.479 -15.841 -1.083 317 HA3 GLY 42 2HA GLY 42 -2.426 -15.183 0.271 318 H ARG 43 HN ARG 43 -2.963 -13.261 -2.428 319 HA ARG 43 HA ARG 43 -5.336 -14.896 -3.169 320 HB2 ARG 43 2HB ARG 43 -4.954 -11.944 -2.847 321 HB3 ARG 43 3HB ARG 43 -6.123 -12.541 -4.050 322 HG2 ARG 43 2HG ARG 43 -7.135 -13.919 -2.164 323 HG3 ARG 43 3HG ARG 43 -6.134 -12.948 -1.058 324 HD2 ARG 43 2HD ARG 43 -7.211 -10.922 -1.732 325 HD3 ARG 43 3HD ARG 43 -8.035 -11.735 -3.079 326 HE ARG 43 HE ARG 43 -8.610 -12.541 -0.278 327 HH11 ARG 43 2HH1 ARG 43 -9.655 -11.221 -3.378 328 HH12 ARG 43 1HH1 ARG 43 -11.353 -11.262 -2.967 329 HH21 ARG 43 2HH2 ARG 43 -10.835 -12.575 0.251 330 HH22 ARG 43 1HH2 ARG 43 -12.021 -12.028 -0.912 331 H LYS 44 HN LYS 44 -6.183 -14.280 -5.403 332 HA LYS 44 HA LYS 44 -3.951 -14.720 -7.254 333 HB2 LYS 44 2HB LYS 44 -6.046 -16.108 -7.282 334 HB3 LYS 44 3HB LYS 44 -6.938 -14.655 -7.794 335 HG2 LYS 44 2HG LYS 44 -5.093 -14.604 -9.683 336 HG3 LYS 44 3HG LYS 44 -4.985 -16.339 -9.302 337 HD2 LYS 44 2HD LYS 44 -7.508 -14.848 -10.076 338 HD3 LYS 44 3HD LYS 44 -6.545 -15.894 -11.147 339 HE2 LYS 44 2HE LYS 44 -6.971 -17.781 -9.532 340 HE3 LYS 44 3HE LYS 44 -8.103 -16.710 -8.678 341 HZ1 LYS 44 3HZ LYS 44 -8.309 -17.515 -11.506 342 HZ2 LYS 44 1HZ LYS 44 -9.228 -18.103 -10.271 343 HZ3 LYS 44 2HZ LYS 44 -9.360 -16.520 -10.713 344 H GLY 45 HN GLY 45 -3.394 -13.426 -8.929 345 HA2 GLY 45 1HA GLY 45 -5.009 -10.966 -9.364 346 HA3 GLY 45 2HA GLY 45 -3.234 -10.900 -9.273 347 H VAL 46 HN VAL 46 -5.188 -10.341 -11.524 348 HA VAL 46 HA VAL 46 -4.392 -12.477 -13.407 349 HB VAL 46 HB VAL 46 -6.765 -11.832 -13.372 350 HG11 VAL 46 1HG1 VAL 46 -7.501 -9.624 -14.160 351 HG12 VAL 46 2HG1 VAL 46 -6.520 -9.500 -12.682 352 HG13 VAL 46 3HG1 VAL 46 -5.804 -9.100 -14.262 353 HG21 VAL 46 3HG2 VAL 46 -5.794 -12.654 -15.460 354 HG22 VAL 46 1HG2 VAL 46 -7.077 -11.466 -15.782 355 HG23 VAL 46 2HG2 VAL 46 -5.370 -10.990 -15.927 356 H VAL 47 HN VAL 47 -3.208 -12.097 -15.271 357 HA VAL 47 HA VAL 47 -1.373 -9.831 -15.008 358 HB VAL 47 HB VAL 47 -1.408 -12.097 -17.035 359 HG11 VAL 47 1HG1 VAL 47 0.942 -11.502 -17.420 360 HG12 VAL 47 2HG1 VAL 47 -0.146 -10.144 -17.789 361 HG13 VAL 47 3HG1 VAL 47 0.786 -10.153 -16.272 362 HG21 VAL 47 3HG2 VAL 47 -1.194 -12.943 -14.745 363 HG22 VAL 47 1HG2 VAL 47 0.331 -13.139 -15.639 364 HG23 VAL 47 2HG2 VAL 47 0.160 -11.826 -14.451 365 H MET 48 HN MET 48 -1.933 -7.934 -15.842 366 HA MET 48 HA MET 48 -3.621 -7.837 -18.253 367 HB2 MET 48 2HB MET 48 -2.512 -5.647 -16.471 368 HB3 MET 48 3HB MET 48 -3.584 -5.387 -17.867 369 HG2 MET 48 2HG MET 48 -5.293 -6.805 -16.717 370 HG3 MET 48 3HG MET 48 -4.237 -6.837 -15.295 371 HE1 MET 48 3HE MET 48 -6.448 -4.641 -17.671 372 HE2 MET 48 1HE MET 48 -6.167 -3.001 -17.041 373 HE3 MET 48 2HE MET 48 -4.847 -3.881 -17.846 374 H GLU 49 HN GLU 49 -0.340 -7.061 -17.148 375 HA GLU 49 HA GLU 49 0.398 -6.670 -20.012 376 HB2 GLU 49 2HB GLU 49 0.482 -4.564 -18.672 377 HB3 GLU 49 3HB GLU 49 1.679 -5.338 -17.606 378 HG2 GLU 49 2HG GLU 49 2.731 -3.869 -19.263 379 HG3 GLU 49 3HG GLU 49 3.229 -5.563 -19.462 380 HE2 GLU 49 2HE GLU 49 1.864 -5.728 -22.627 381 H ALA 50 HN ALA 50 2.256 -7.665 -20.715 382 HA ALA 50 HA ALA 50 2.775 -10.171 -19.543 383 HB1 ALA 50 1HB ALA 50 4.559 -10.354 -21.232 384 HB2 ALA 50 2HB ALA 50 3.074 -9.665 -21.928 385 HB3 ALA 50 3HB ALA 50 4.449 -8.604 -21.535 386 H ILE 51 HN ILE 51 3.800 -10.664 -17.761 387 HA ILE 51 HA ILE 51 5.883 -8.912 -16.677 388 HB ILE 51 HB ILE 51 4.844 -11.598 -15.674 389 HG12 ILE 51 2HG1 ILE 51 4.150 -8.807 -14.710 390 HG13 ILE 51 3HG1 ILE 51 3.138 -9.759 -15.822 391 HG21 ILE 51 1HG2 ILE 51 5.874 -10.932 -13.534 392 HG22 ILE 51 2HG2 ILE 51 7.087 -11.032 -14.833 393 HG23 ILE 51 3HG2 ILE 51 6.488 -9.445 -14.293 394 HD11 ILE 51 3HD1 ILE 51 3.904 -10.544 -13.003 395 HD12 ILE 51 1HD1 ILE 51 2.320 -9.922 -13.513 396 HD13 ILE 51 2HD1 ILE 51 2.891 -11.494 -14.115 397 H SER 52 HN SER 52 8.072 -9.396 -16.571 398 HA SER 52 HA SER 52 8.988 -11.951 -17.691 399 HB2 SER 52 2HB SER 52 10.492 -10.582 -19.301 400 HB3 SER 52 3HB SER 52 8.789 -10.838 -19.750 401 HG SER 52 HG SER 52 9.458 -8.648 -20.003 402 HA PRO 53 HA PRO 53 12.562 -11.124 -15.127 403 HB2 PRO 53 2HB PRO 53 14.322 -12.197 -17.281 404 HB3 PRO 53 3HB PRO 53 13.979 -12.831 -15.638 405 HG2 PRO 53 2HG PRO 53 13.075 -13.996 -17.893 406 HG3 PRO 53 3HG PRO 53 12.237 -14.123 -16.313 407 HD2 PRO 53 2HD PRO 53 11.610 -12.462 -18.742 408 HD3 PRO 53 3HD PRO 53 10.506 -13.210 -17.548 409 H GLN 54 HN GLN 54 12.170 -9.968 -18.362 410 HA GLN 54 HA GLN 54 14.502 -8.291 -18.504 411 HB2 GLN 54 2HB GLN 54 13.013 -9.078 -20.417 412 HB3 GLN 54 3HB GLN 54 11.848 -7.841 -19.888 413 HG2 GLN 54 2HG GLN 54 13.623 -6.120 -20.207 414 HG3 GLN 54 3HG GLN 54 14.673 -7.388 -20.876 415 HE21 GLN 54 1HE2 GLN 54 11.878 -5.339 -21.415 416 HE22 GLN 54 2HE2 GLN 54 11.677 -5.711 -23.115 417 H ASN 55 HN ASN 55 11.060 -7.686 -17.686 418 HA ASN 55 HA ASN 55 11.845 -5.805 -15.636 419 HB2 ASN 55 2HB ASN 55 11.873 -4.555 -17.969 420 HB3 ASN 55 3HB ASN 55 10.110 -4.560 -17.747 421 HD21 ASN 55 1HD2 ASN 55 11.944 -2.278 -17.818 422 HD22 ASN 55 2HD2 ASN 55 11.775 -1.455 -16.282 423 H SER 56 HN SER 56 9.846 -4.793 -14.658 424 HA SER 56 HA SER 56 8.150 -6.930 -13.872 425 HB2 SER 56 2HB SER 56 7.485 -4.008 -13.472 426 HB3 SER 56 3HB SER 56 7.245 -5.377 -12.360 427 HG SER 56 HG SER 56 9.022 -4.042 -11.758 428 H GLY 57 HN GLY 57 5.880 -7.172 -14.055 429 HA2 GLY 57 1HA GLY 57 4.737 -5.844 -16.467 430 HA3 GLY 57 2HA GLY 57 4.281 -7.460 -15.884 431 H LEU 58 HN LEU 58 2.114 -6.215 -16.176 432 HA LEU 58 HA LEU 58 1.516 -4.850 -13.592 433 HB2 LEU 58 2HB LEU 58 0.348 -4.371 -16.349 434 HB3 LEU 58 3HB LEU 58 -0.296 -3.671 -14.845 435 HG LEU 58 HG LEU 58 2.458 -3.169 -16.001 436 HD11 LEU 58 1HD1 LEU 58 1.598 -0.907 -16.465 437 HD12 LEU 58 2HD1 LEU 58 0.663 -2.147 -17.331 438 HD13 LEU 58 3HD1 LEU 58 -0.004 -1.394 -15.864 439 HD21 LEU 58 3HD2 LEU 58 2.414 -3.063 -13.550 440 HD22 LEU 58 1HD2 LEU 58 2.623 -1.443 -14.253 441 HD23 LEU 58 2HD2 LEU 58 1.037 -1.936 -13.618 442 H VAL 59 HN VAL 59 0.120 -5.888 -12.327 443 HA VAL 59 HA VAL 59 -1.787 -7.760 -13.641 444 HB VAL 59 HB VAL 59 -1.749 -9.093 -11.524 445 HG11 VAL 59 1HG1 VAL 59 0.404 -10.206 -11.952 446 HG12 VAL 59 2HG1 VAL 59 -0.424 -9.785 -13.468 447 HG13 VAL 59 3HG1 VAL 59 0.941 -8.797 -12.896 448 HG21 VAL 59 3HG2 VAL 59 -0.928 -7.347 -10.009 449 HG22 VAL 59 1HG2 VAL 59 0.111 -8.789 -9.941 450 HG23 VAL 59 2HG2 VAL 59 0.643 -7.353 -10.846 451 H LYS 60 HN LYS 60 -3.891 -7.761 -12.949 452 HA LYS 60 HA LYS 60 -4.653 -5.456 -11.269 453 HB2 LYS 60 2HB LYS 60 -5.775 -5.815 -13.452 454 HB3 LYS 60 3HB LYS 60 -6.370 -7.385 -12.862 455 HG2 LYS 60 2HG LYS 60 -7.610 -6.227 -11.074 456 HG3 LYS 60 3HG LYS 60 -7.040 -4.664 -11.707 457 HD2 LYS 60 2HD LYS 60 -9.294 -5.101 -12.501 458 HD3 LYS 60 3HD LYS 60 -8.151 -5.163 -13.865 459 HE2 LYS 60 2HE LYS 60 -8.115 -7.632 -13.696 460 HE3 LYS 60 3HE LYS 60 -9.299 -7.546 -12.373 461 HZ1 LYS 60 3HZ LYS 60 -9.742 -6.618 -15.132 462 HZ2 LYS 60 1HZ LYS 60 -10.347 -8.003 -14.477 463 HZ3 LYS 60 2HZ LYS 60 -10.841 -6.539 -13.904 464 H VAL 61 HN VAL 61 -4.840 -5.773 -9.155 465 HA VAL 61 HA VAL 61 -5.251 -8.547 -8.227 466 HB VAL 61 HB VAL 61 -4.497 -6.126 -6.556 467 HG11 VAL 61 1HG1 VAL 61 -3.737 -7.818 -4.938 468 HG12 VAL 61 2HG1 VAL 61 -5.466 -8.004 -5.311 469 HG13 VAL 61 3HG1 VAL 61 -4.276 -9.109 -6.037 470 HG21 VAL 61 3HG2 VAL 61 -2.803 -6.501 -8.288 471 HG22 VAL 61 1HG2 VAL 61 -2.180 -6.939 -6.680 472 HG23 VAL 61 2HG2 VAL 61 -2.688 -8.213 -7.813 473 H ASP 62 HN ASP 62 -7.464 -8.540 -8.834 474 HA ASP 62 HA ASP 62 -9.626 -8.706 -8.147 475 HB2 ASP 62 2HB ASP 62 -8.758 -9.052 -5.878 476 HB3 ASP 62 3HB ASP 62 -8.715 -7.294 -5.620 477 HD2 ASP 62 2HD ASP 62 -12.231 -9.136 -5.499 478 H GLY 63 HN GLY 63 -8.070 -5.538 -7.863 479 HA2 GLY 63 1HA GLY 63 -10.501 -4.367 -9.058 480 HA3 GLY 63 2HA GLY 63 -9.932 -3.697 -7.512 481 H GLU 64 HN GLU 64 -7.251 -3.536 -7.731 482 HA GLU 64 HA GLU 64 -7.028 -1.607 -9.987 483 HB2 GLU 64 2HB GLU 64 -5.749 -1.679 -7.248 484 HB3 GLU 64 3HB GLU 64 -5.158 -0.630 -8.558 485 HG2 GLU 64 2HG GLU 64 -7.501 0.320 -8.678 486 HG3 GLU 64 3HG GLU 64 -7.834 -0.549 -7.164 487 HE2 GLU 64 2HE GLU 64 -6.228 1.860 -5.318 488 H THR 65 HN THR 65 -4.796 -1.246 -10.800 489 HA THR 65 HA THR 65 -3.516 -3.883 -11.151 490 HB THR 65 HB THR 65 -4.187 -2.638 -13.191 491 HG1 THR 65 1HG THR 65 -2.132 -2.844 -14.216 492 HG21 THR 65 3HG2 THR 65 -2.099 -0.620 -12.306 493 HG22 THR 65 1HG2 THR 65 -2.943 -0.622 -13.871 494 HG23 THR 65 2HG2 THR 65 -3.857 -0.347 -12.370 495 H TRP 66 HN TRP 66 -1.464 -4.302 -10.594 496 HA TRP 66 HA TRP 66 0.141 -2.102 -9.408 497 HB2 TRP 66 2HB TRP 66 -0.368 -4.856 -8.226 498 HB3 TRP 66 3HB TRP 66 0.914 -3.767 -7.679 499 HD1 TRP 66 1HD TRP 66 -2.903 -4.209 -7.559 500 HE1 TRP 66 1HE TRP 66 -3.898 -2.635 -5.804 501 HE3 TRP 66 3HE TRP 66 1.322 -1.538 -6.483 502 HZ2 TRP 66 2HZ TRP 66 -2.967 -0.530 -4.147 503 HZ3 TRP 66 3HZ TRP 66 1.190 0.243 -4.785 504 HH2 TRP 66 2HH TRP 66 -0.929 0.743 -3.641 505 H ARG 67 HN ARG 67 2.481 -2.749 -9.212 506 HA ARG 67 HA ARG 67 3.290 -4.015 -11.705 507 HB2 ARG 67 2HB ARG 67 5.009 -3.051 -9.399 508 HB3 ARG 67 3HB ARG 67 5.565 -3.483 -11.034 509 HG2 ARG 67 2HG ARG 67 5.537 -1.141 -11.010 510 HG3 ARG 67 3HG ARG 67 4.042 -1.597 -11.861 511 HD2 ARG 67 2HD ARG 67 2.737 -1.245 -9.856 512 HD3 ARG 67 3HD ARG 67 4.208 -0.943 -8.908 513 HE ARG 67 HE ARG 67 4.297 0.959 -10.891 514 HH11 ARG 67 2HH1 ARG 67 1.999 0.015 -8.395 515 HH12 ARG 67 1HH1 ARG 67 1.302 1.613 -8.247 516 HH21 ARG 67 2HH2 ARG 67 3.362 3.046 -10.713 517 HH22 ARG 67 1HH2 ARG 67 2.077 3.332 -9.562 518 H ALA 68 HN ALA 68 4.482 -5.913 -11.902 519 HA ALA 68 HA ALA 68 4.609 -7.598 -9.476 520 HB1 ALA 68 1HB ALA 68 3.569 -9.483 -10.663 521 HB2 ALA 68 2HB ALA 68 2.461 -8.097 -10.545 522 HB3 ALA 68 3HB ALA 68 3.298 -8.439 -12.078 523 H THR 69 HN THR 69 6.219 -9.025 -9.395 524 HA THR 69 HA THR 69 7.949 -9.276 -11.797 525 HB THR 69 HB THR 69 9.855 -9.454 -10.016 526 HG1 THR 69 1HG THR 69 9.398 -8.145 -8.165 527 HG21 THR 69 3HG2 THR 69 8.559 -6.774 -10.625 528 HG22 THR 69 1HG2 THR 69 10.245 -7.022 -10.116 529 HG23 THR 69 2HG2 THR 69 9.689 -7.654 -11.682 530 H SER 70 HN SER 70 8.872 -11.277 -12.136 531 HA SER 70 HA SER 70 8.569 -13.370 -10.104 532 HB2 SER 70 2HB SER 70 7.419 -14.893 -11.734 533 HB3 SER 70 3HB SER 70 6.411 -13.529 -11.195 534 HG SER 70 HG SER 70 6.325 -13.855 -13.470 535 H GLY 71 HN GLY 71 9.545 -15.478 -10.964 536 HA2 GLY 71 1HA GLY 71 11.979 -14.730 -12.466 537 HA3 GLY 71 2HA GLY 71 11.740 -16.198 -11.491 538 H THR 72 HN THR 72 9.299 -15.121 -13.766 539 HA THR 72 HA THR 72 10.287 -16.958 -15.851 540 HB THR 72 HB THR 72 7.408 -17.246 -14.986 541 HG1 THR 72 1HG THR 72 8.090 -19.010 -13.648 542 HG21 THR 72 3HG2 THR 72 9.404 -19.159 -16.253 543 HG22 THR 72 1HG2 THR 72 7.687 -19.505 -15.948 544 HG23 THR 72 2HG2 THR 72 8.144 -18.244 -17.115 545 H VAL 73 HN VAL 73 8.746 -16.808 -17.828 546 HA VAL 73 HA VAL 73 7.901 -13.992 -18.100 547 HB VAL 73 HB VAL 73 9.340 -14.916 -19.868 548 HG11 VAL 73 1HG1 VAL 73 8.515 -16.632 -21.416 549 HG12 VAL 73 2HG1 VAL 73 8.647 -17.255 -19.755 550 HG13 VAL 73 3HG1 VAL 73 7.054 -16.823 -20.421 551 HG21 VAL 73 3HG2 VAL 73 7.760 -13.134 -20.415 552 HG22 VAL 73 1HG2 VAL 73 7.995 -14.223 -21.802 553 HG23 VAL 73 2HG2 VAL 73 6.520 -14.346 -20.816 554 H LEU 74 HN LEU 74 5.824 -13.363 -18.254 555 HA LEU 74 HA LEU 74 3.784 -15.533 -18.124 556 HB2 LEU 74 2HB LEU 74 3.744 -12.869 -16.674 557 HB3 LEU 74 3HB LEU 74 2.524 -14.160 -16.565 558 HG LEU 74 HG LEU 74 5.400 -14.341 -15.626 559 HD11 LEU 74 1HD1 LEU 74 4.425 -14.374 -13.366 560 HD12 LEU 74 2HD1 LEU 74 4.029 -12.867 -14.224 561 HD13 LEU 74 3HD1 LEU 74 2.804 -14.148 -14.064 562 HD21 LEU 74 3HD2 LEU 74 4.524 -16.493 -16.415 563 HD22 LEU 74 1HD2 LEU 74 4.715 -16.494 -14.647 564 HD23 LEU 74 2HD2 LEU 74 3.098 -16.304 -15.366 565 H ASP 75 HN ASP 75 1.829 -15.201 -19.168 566 HA ASP 75 HA ASP 75 1.986 -13.106 -21.260 567 HB2 ASP 75 2HB ASP 75 0.358 -15.666 -21.098 568 HB3 ASP 75 3HB ASP 75 0.302 -14.505 -22.443 569 HD2 ASP 75 2HD ASP 75 3.167 -17.148 -22.394 570 H VAL 76 HN VAL 76 -0.029 -12.124 -21.984 571 HA VAL 76 HA VAL 76 -1.450 -11.004 -19.753 572 HB VAL 76 HB VAL 76 -2.028 -10.826 -22.735 573 HG11 VAL 76 1HG1 VAL 76 -3.300 -8.795 -22.175 574 HG12 VAL 76 2HG1 VAL 76 -3.983 -10.231 -21.379 575 HG13 VAL 76 3HG1 VAL 76 -2.993 -9.081 -20.446 576 HG21 VAL 76 3HG2 VAL 76 0.210 -10.015 -22.148 577 HG22 VAL 76 1HG2 VAL 76 -0.851 -8.668 -22.620 578 HG23 VAL 76 2HG2 VAL 76 -0.494 -8.957 -20.901 579 H GLY 77 HN GLY 77 -3.302 -11.601 -18.814 580 HA2 GLY 77 1HA GLY 77 -5.525 -12.477 -18.905 581 HA3 GLY 77 2HA GLY 77 -5.048 -13.497 -20.282 582 H GLU 78 HN GLU 78 -2.475 -13.788 -18.348 583 HA GLU 78 HA GLU 78 -3.326 -16.327 -17.263 584 HB2 GLU 78 2HB GLU 78 -0.820 -14.658 -17.125 585 HB3 GLU 78 3HB GLU 78 -1.007 -16.146 -16.166 586 HG2 GLU 78 2HG GLU 78 -1.138 -15.908 -19.176 587 HG3 GLU 78 3HG GLU 78 0.197 -16.589 -18.222 588 HE2 GLU 78 2HE GLU 78 -2.534 -19.032 -19.290 589 H GLU 79 HN GLU 79 -2.694 -16.823 -14.934 590 HA GLU 79 HA GLU 79 -3.696 -14.630 -13.178 591 HB2 GLU 79 2HB GLU 79 -4.238 -17.587 -12.789 592 HB3 GLU 79 3HB GLU 79 -4.949 -16.218 -11.902 593 HG2 GLU 79 2HG GLU 79 -5.951 -15.484 -14.119 594 HG3 GLU 79 3HG GLU 79 -5.463 -17.071 -14.753 595 HE2 GLU 79 2HE GLU 79 -7.778 -18.490 -12.273 596 H VAL 80 HN VAL 80 -2.483 -14.222 -11.392 597 HA VAL 80 HA VAL 80 -0.320 -16.185 -10.829 598 HB VAL 80 HB VAL 80 1.134 -14.276 -10.185 599 HG11 VAL 80 1HG1 VAL 80 1.671 -13.562 -12.472 600 HG12 VAL 80 2HG1 VAL 80 1.318 -15.303 -12.396 601 HG13 VAL 80 3HG1 VAL 80 0.097 -14.174 -13.031 602 HG21 VAL 80 3HG2 VAL 80 -0.604 -12.619 -9.698 603 HG22 VAL 80 1HG2 VAL 80 0.552 -11.994 -10.895 604 HG23 VAL 80 2HG2 VAL 80 -1.046 -12.567 -11.421 605 H SER 81 HN SER 81 0.409 -16.357 -8.688 606 HA SER 81 HA SER 81 -1.534 -15.382 -6.667 607 HB2 SER 81 2HB SER 81 0.693 -17.445 -6.443 608 HB3 SER 81 3HB SER 81 -0.483 -17.030 -5.171 609 HG SER 81 HG SER 81 -1.087 -18.897 -6.368 610 H VAL 82 HN VAL 82 -1.020 -13.728 -5.366 611 HA VAL 82 HA VAL 82 1.612 -12.515 -5.608 612 HB VAL 82 HB VAL 82 -0.638 -11.771 -3.706 613 HG11 VAL 82 1HG1 VAL 82 0.416 -9.548 -3.720 614 HG12 VAL 82 2HG1 VAL 82 1.540 -10.800 -3.143 615 HG13 VAL 82 3HG1 VAL 82 1.690 -10.161 -4.798 616 HG21 VAL 82 3HG2 VAL 82 -1.460 -11.793 -6.014 617 HG22 VAL 82 1HG2 VAL 82 -1.338 -10.128 -5.398 618 HG23 VAL 82 2HG2 VAL 82 -0.103 -10.754 -6.514 619 H LYS 83 HN LYS 83 3.310 -13.229 -4.545 620 HA LYS 83 HA LYS 83 2.896 -14.792 -2.079 621 HB2 LYS 83 2HB LYS 83 4.966 -14.609 -4.212 622 HB3 LYS 83 3HB LYS 83 5.531 -15.013 -2.574 623 HG2 LYS 83 2HG LYS 83 3.367 -16.509 -4.068 624 HG3 LYS 83 3HG LYS 83 5.076 -16.999 -3.985 625 HD2 LYS 83 2HD LYS 83 4.921 -17.050 -1.530 626 HD3 LYS 83 3HD LYS 83 3.199 -16.614 -1.643 627 HE2 LYS 83 2HE LYS 83 3.439 -19.008 -1.291 628 HE3 LYS 83 3HE LYS 83 2.771 -18.691 -2.906 629 HZ1 LYS 83 3HZ LYS 83 5.584 -19.321 -2.308 630 HZ2 LYS 83 1HZ LYS 83 4.486 -20.359 -2.966 631 HZ3 LYS 83 2HZ LYS 83 4.964 -19.026 -3.808 632 H ALA 84 HN ALA 84 4.701 -11.934 -3.272 633 HA ALA 84 HA ALA 84 4.980 -11.044 -0.486 634 HB1 ALA 84 1HB ALA 84 7.425 -10.769 -0.655 635 HB2 ALA 84 2HB ALA 84 6.951 -12.476 -0.815 636 HB3 ALA 84 3HB ALA 84 7.398 -11.536 -2.259 637 H ILE 85 HN ILE 85 6.468 -8.929 -0.567 638 HA ILE 85 HA ILE 85 5.504 -7.310 -2.879 639 HB ILE 85 HB ILE 85 5.799 -6.380 0.010 640 HG12 ILE 85 2HG1 ILE 85 3.301 -6.949 -1.616 641 HG13 ILE 85 3HG1 ILE 85 3.908 -7.917 -0.252 642 HG21 ILE 85 1HG2 ILE 85 4.698 -4.322 -0.786 643 HG22 ILE 85 2HG2 ILE 85 6.223 -4.619 -1.653 644 HG23 ILE 85 3HG2 ILE 85 4.667 -4.980 -2.438 645 HD11 ILE 85 3HD1 ILE 85 2.952 -5.046 -0.109 646 HD12 ILE 85 1HD1 ILE 85 2.045 -6.468 0.444 647 HD13 ILE 85 2HD1 ILE 85 3.558 -6.016 1.254 648 H GLU 86 HN GLU 86 7.000 -6.048 -3.868 649 HA GLU 86 HA GLU 86 9.681 -5.845 -2.575 650 HB2 GLU 86 2HB GLU 86 9.209 -7.421 -4.707 651 HB3 GLU 86 3HB GLU 86 9.456 -5.873 -5.550 652 HG2 GLU 86 2HG GLU 86 11.407 -7.184 -3.640 653 HG3 GLU 86 3HG GLU 86 11.512 -7.207 -5.413 654 HE2 GLU 86 2HE GLU 86 12.843 -4.065 -3.473 655 H GLY 87 HN GLY 87 9.060 -3.771 -1.766 656 HA2 GLY 87 1HA GLY 87 8.972 -1.476 -1.905 657 HA3 GLY 87 2HA GLY 87 9.462 -1.603 -3.610 658 H VAL 88 HN VAL 88 8.040 -1.023 -5.091 659 HA VAL 88 HA VAL 88 5.196 -0.792 -4.271 660 HB VAL 88 HB VAL 88 6.433 1.223 -5.184 661 HG11 VAL 88 1HG1 VAL 88 6.768 1.382 -7.612 662 HG12 VAL 88 2HG1 VAL 88 7.756 0.088 -6.897 663 HG13 VAL 88 3HG1 VAL 88 6.268 -0.315 -7.790 664 HG21 VAL 88 3HG2 VAL 88 3.991 1.105 -5.148 665 HG22 VAL 88 1HG2 VAL 88 4.561 1.979 -6.588 666 HG23 VAL 88 2HG2 VAL 88 3.997 0.299 -6.735 667 H LYS 89 HN LYS 89 7.218 -2.953 -5.648 668 HA LYS 89 HA LYS 89 5.275 -3.900 -7.684 669 HB2 LYS 89 2HB LYS 89 8.059 -4.910 -7.012 670 HB3 LYS 89 3HB LYS 89 7.050 -5.405 -8.393 671 HG2 LYS 89 2HG LYS 89 7.307 -3.298 -9.454 672 HG3 LYS 89 3HG LYS 89 8.023 -2.572 -7.996 673 HD2 LYS 89 2HD LYS 89 9.252 -4.826 -9.618 674 HD3 LYS 89 3HD LYS 89 9.722 -3.112 -9.717 675 HE2 LYS 89 2HE LYS 89 10.385 -3.133 -7.370 676 HE3 LYS 89 3HE LYS 89 9.847 -4.819 -7.211 677 HZ1 LYS 89 3HZ LYS 89 12.034 -3.875 -8.939 678 HZ2 LYS 89 1HZ LYS 89 12.218 -4.668 -7.506 679 HZ3 LYS 89 2HZ LYS 89 11.534 -5.440 -8.792 680 H LEU 90 HN LEU 90 4.735 -6.207 -7.683 681 HA LEU 90 HA LEU 90 4.836 -7.373 -4.943 682 HB2 LEU 90 2HB LEU 90 2.903 -7.969 -7.201 683 HB3 LEU 90 3HB LEU 90 2.875 -8.677 -5.568 684 HG LEU 90 HG LEU 90 2.405 -5.764 -6.251 685 HD11 LEU 90 1HD1 LEU 90 0.077 -6.225 -5.607 686 HD12 LEU 90 2HD1 LEU 90 0.580 -7.224 -6.990 687 HD13 LEU 90 3HD1 LEU 90 0.486 -7.939 -5.363 688 HD21 LEU 90 3HD2 LEU 90 3.441 -6.069 -4.048 689 HD22 LEU 90 1HD2 LEU 90 1.748 -5.548 -3.889 690 HD23 LEU 90 2HD2 LEU 90 2.183 -7.250 -3.614 691 H VAL 91 HN VAL 91 5.461 -9.507 -4.698 692 HA VAL 91 HA VAL 91 6.898 -10.662 -7.013 693 HB VAL 91 HB VAL 91 6.904 -11.526 -4.095 694 HG11 VAL 91 1HG1 VAL 91 8.869 -12.870 -4.727 695 HG12 VAL 91 2HG1 VAL 91 7.428 -13.350 -5.653 696 HG13 VAL 91 3HG1 VAL 91 8.683 -12.344 -6.416 697 HG21 VAL 91 3HG2 VAL 91 7.889 -9.296 -4.379 698 HG22 VAL 91 1HG2 VAL 91 9.140 -10.497 -3.983 699 HG23 VAL 91 2HG2 VAL 91 8.958 -9.924 -5.657 700 H VAL 92 HN VAL 92 5.789 -12.066 -8.235 701 HA VAL 92 HA VAL 92 3.597 -13.560 -6.890 702 HB VAL 92 HB VAL 92 2.283 -13.370 -8.982 703 HG11 VAL 92 1HG1 VAL 92 1.646 -11.004 -8.761 704 HG12 VAL 92 2HG1 VAL 92 1.903 -11.763 -7.173 705 HG13 VAL 92 3HG1 VAL 92 3.145 -10.688 -7.859 706 HG21 VAL 92 3HG2 VAL 92 4.144 -13.091 -10.555 707 HG22 VAL 92 1HG2 VAL 92 2.956 -11.780 -10.736 708 HG23 VAL 92 2HG2 VAL 92 4.484 -11.481 -9.876 709 H GLU 93 HN GLU 93 2.892 -15.502 -7.993 710 HA GLU 93 HA GLU 93 4.901 -16.637 -9.863 711 HB2 GLU 93 2HB GLU 93 4.398 -18.881 -8.798 712 HB3 GLU 93 3HB GLU 93 5.428 -17.763 -7.872 713 HG2 GLU 93 2HG GLU 93 3.529 -17.154 -6.470 714 HG3 GLU 93 3HG GLU 93 2.473 -18.228 -7.411 715 HE2 GLU 93 2HE GLU 93 3.429 -20.935 -5.539 716 H LYS 94 HN LYS 94 3.996 -18.450 -11.143 717 HA LYS 94 HA LYS 94 1.431 -17.449 -12.154 718 HB2 LYS 94 2HB LYS 94 3.382 -17.867 -13.638 719 HB3 LYS 94 3HB LYS 94 3.278 -19.599 -13.240 720 HG2 LYS 94 2HG LYS 94 0.992 -19.637 -14.209 721 HG3 LYS 94 3HG LYS 94 1.207 -17.938 -14.696 722 HD2 LYS 94 2HD LYS 94 3.157 -18.582 -16.062 723 HD3 LYS 94 3HD LYS 94 2.927 -20.280 -15.583 724 HE2 LYS 94 2HE LYS 94 0.906 -18.587 -17.087 725 HE3 LYS 94 3HE LYS 94 1.993 -19.787 -17.820 726 HZ1 LYS 94 3HZ LYS 94 -0.073 -20.356 -15.803 727 HZ2 LYS 94 1HZ LYS 94 -0.185 -20.693 -17.412 728 HZ3 LYS 94 2HZ LYS 94 0.935 -21.469 -16.484 729 H LEU 95 HN LEU 95 -0.491 -18.439 -12.043 730 HA LEU 95 HA LEU 95 -0.806 -20.983 -10.716 731 HB2 LEU 95 2HB LEU 95 -2.573 -19.098 -12.224 732 HB3 LEU 95 3HB LEU 95 -3.111 -20.780 -11.997 733 HG LEU 95 HG LEU 95 -2.821 -20.452 -9.533 734 HD11 LEU 95 1HD1 LEU 95 -2.731 -18.158 -8.671 735 HD12 LEU 95 2HD1 LEU 95 -1.273 -18.563 -9.606 736 HD13 LEU 95 3HD1 LEU 95 -2.540 -17.545 -10.330 737 HD21 LEU 95 3HD2 LEU 95 -5.009 -20.330 -10.630 738 HD22 LEU 95 1HD2 LEU 95 -4.912 -19.188 -9.270 739 HD23 LEU 95 2HD2 LEU 95 -4.762 -18.594 -10.940 740 H GLU 96 HN GLU 96 -1.127 -22.999 -11.619 741 HA GLU 96 HA GLU 96 -0.896 -23.249 -14.538 742 HB2 GLU 96 2HB GLU 96 1.425 -23.018 -13.744 743 HB3 GLU 96 3HB GLU 96 1.176 -24.384 -12.631 744 HG2 GLU 96 2HG GLU 96 0.895 -25.904 -14.474 745 HG3 GLU 96 3HG GLU 96 0.947 -24.565 -15.641 746 HE2 GLU 96 2HE GLU 96 4.375 -25.743 -13.994 747 H GLU 97 HN GLU 97 -2.722 -24.402 -14.787 748 HA GLU 97 HA GLU 97 -3.189 -26.775 -13.109 749 HB2 GLU 97 2HB GLU 97 -4.689 -25.654 -15.497 750 HB3 GLU 97 3HB GLU 97 -5.218 -27.021 -14.485 751 HG2 GLU 97 2HG GLU 97 -5.456 -25.573 -12.570 752 HG3 GLU 97 3HG GLU 97 -4.777 -24.202 -13.473 753 HE2 GLU 97 2HE GLU 97 -7.775 -23.705 -15.200 754 H GLN 98 HN GLN 98 -1.642 -25.835 -15.992 755 HA GLN 98 HA GLN 98 -1.686 -28.569 -17.123 756 HB2 GLN 98 2HB GLN 98 -1.952 -26.241 -18.378 757 HB3 GLN 98 3HB GLN 98 -0.172 -26.278 -18.326 758 HG2 GLN 98 2HG GLN 98 -1.851 -28.523 -19.453 759 HG3 GLN 98 3HG GLN 98 -1.256 -27.161 -20.427 760 HE21 GLN 98 1HE2 GLN 98 -0.715 -30.041 -20.675 761 HE22 GLN 98 2HE2 GLN 98 1.025 -30.209 -20.564 762 H LYS 99 HN LYS 99 -0.432 -29.629 -15.556 763 HA LYS 99 HA LYS 99 2.359 -28.633 -15.251 764 HB2 LYS 99 2HB LYS 99 0.836 -30.666 -13.587 765 HB3 LYS 99 3HB LYS 99 2.454 -30.011 -13.245 766 HG2 LYS 99 2HG LYS 99 1.472 -27.770 -12.959 767 HG3 LYS 99 3HG LYS 99 -0.145 -28.451 -13.260 768 HD2 LYS 99 2HD LYS 99 0.189 -28.229 -10.876 769 HD3 LYS 99 3HD LYS 99 0.174 -29.958 -11.304 770 HE2 LYS 99 2HE LYS 99 2.645 -29.963 -11.287 771 HE3 LYS 99 3HE LYS 99 2.636 -28.251 -10.811 772 HZ1 LYS 99 3HZ LYS 99 1.497 -30.471 -9.251 773 HZ2 LYS 99 1HZ LYS 99 2.915 -29.697 -8.926 774 HZ3 LYS 99 2HZ LYS 99 1.488 -28.882 -8.809 775 H GLY 100 HN GLY 100 1.115 -30.202 -17.531 776 HA2 GLY 100 1HA GLY 100 2.367 -31.717 -18.907 777 HA3 GLY 100 2HA GLY 100 3.052 -32.452 -17.440 778 H SER 101 HN SER 101 2.297 -34.396 -18.809 779 HA SER 101 HA SER 101 -0.547 -34.957 -18.116 780 HB2 SER 101 2HB SER 101 0.165 -34.983 -20.575 781 HB3 SER 101 3HB SER 101 1.125 -36.426 -20.175 782 HG SER 101 HG SER 101 -0.981 -36.945 -20.947 Start of MODEL 17 1 H1 MET 1 HN MET 1 54.195 -6.234 61.303 2 HA MET 1 HA MET 1 55.556 -6.821 58.877 3 HB2 MET 1 2HB MET 1 52.625 -7.619 58.869 4 HB3 MET 1 3HB MET 1 53.641 -7.433 57.420 5 HG2 MET 1 2HG MET 1 53.522 -9.755 57.879 6 HG3 MET 1 3HG MET 1 55.143 -9.222 58.358 7 HE1 MET 1 3HE MET 1 55.504 -11.443 59.763 8 HE2 MET 1 1HE MET 1 54.360 -12.042 60.985 9 HE3 MET 1 2HE MET 1 53.888 -12.005 59.273 10 H GLY 2 HN GLY 2 55.444 -5.094 57.463 11 HA2 GLY 2 1HA GLY 2 53.860 -2.812 58.462 12 HA3 GLY 2 2HA GLY 2 55.198 -2.751 57.293 13 H SER 3 HN SER 3 51.844 -2.635 57.691 14 HA SER 3 HA SER 3 51.154 -3.805 55.118 15 HB2 SER 3 2HB SER 3 48.880 -2.905 55.647 16 HB3 SER 3 3HB SER 3 49.552 -3.949 56.923 17 HG SER 3 HG SER 3 48.614 -2.018 57.756 18 H SER 4 HN SER 4 50.686 -2.802 53.233 19 HA SER 4 HA SER 4 50.626 0.140 53.152 20 HB2 SER 4 2HB SER 4 52.568 -1.514 51.499 21 HB3 SER 4 3HB SER 4 52.265 0.230 51.314 22 HG SER 4 HG SER 4 54.102 -0.220 52.624 23 H HIS 5 HN HIS 5 48.542 0.155 52.518 24 HA HIS 5 HA HIS 5 47.903 -1.288 49.991 25 HB2 HIS 5 2HB HIS 5 46.987 -2.458 51.981 26 HB3 HIS 5 3HB HIS 5 46.120 -0.978 52.428 27 HD1 HIS 5 1HD HIS 5 43.765 -0.959 51.739 28 HD2 HIS 5 2HD HIS 5 46.096 -3.317 49.202 29 HE1 HIS 5 1HE HIS 5 42.164 -2.005 50.081 30 HE2 HIS 5 2HE HIS 5 43.583 -3.433 48.535 31 H HIS 6 HN HIS 6 47.877 0.366 48.586 32 HA HIS 6 HA HIS 6 46.962 3.011 49.317 33 HB2 HIS 6 2HB HIS 6 48.633 2.078 47.432 34 HB3 HIS 6 3HB HIS 6 47.151 2.152 46.461 35 HD1 HIS 6 1HD HIS 6 49.781 4.259 48.038 36 HD2 HIS 6 2HD HIS 6 46.146 4.805 46.052 37 HE1 HIS 6 1HE HIS 6 49.688 6.706 47.393 38 HE2 HIS 6 2HE HIS 6 47.483 7.033 46.184 39 H HIS 7 HN HIS 7 45.040 4.046 48.791 40 HA HIS 7 HA HIS 7 42.936 2.275 47.638 41 HB2 HIS 7 2HB HIS 7 42.992 3.836 50.115 42 HB3 HIS 7 3HB HIS 7 41.592 4.216 49.094 43 HD1 HIS 7 1HD HIS 7 42.495 2.059 51.753 44 HD2 HIS 7 2HD HIS 7 40.338 1.563 48.213 45 HE1 HIS 7 1HE HIS 7 41.039 0.012 52.093 46 HE2 HIS 7 2HE HIS 7 39.730 -0.285 49.939 47 H HIS 8 HN HIS 8 41.599 3.083 46.108 48 HA HIS 8 HA HIS 8 41.494 5.960 45.621 49 HB2 HIS 8 2HB HIS 8 43.019 4.110 43.892 50 HB3 HIS 8 3HB HIS 8 41.865 5.155 43.042 51 HD1 HIS 8 1HD HIS 8 45.264 5.143 43.671 52 HD2 HIS 8 2HD HIS 8 42.288 7.985 44.399 53 HE1 HIS 8 1HE HIS 8 46.448 7.376 43.865 54 HE2 HIS 8 2HE HIS 8 44.635 9.094 44.296 55 H HIS 9 HN HIS 9 39.474 6.455 45.283 56 HA HIS 9 HA HIS 9 37.841 4.850 43.449 57 HB2 HIS 9 2HB HIS 9 37.609 4.446 46.227 58 HB3 HIS 9 3HB HIS 9 36.254 5.503 45.788 59 HD1 HIS 9 1HD HIS 9 37.043 2.044 46.080 60 HD2 HIS 9 2HD HIS 9 34.899 4.325 43.314 61 HE1 HIS 9 1HE HIS 9 35.558 0.416 44.823 62 HE2 HIS 9 2HE HIS 9 34.254 1.810 43.146 63 H HIS 10 HN HIS 10 38.764 7.058 42.642 64 HA HIS 10 HA HIS 10 37.201 9.353 43.662 65 HB2 HIS 10 2HB HIS 10 39.674 9.507 43.502 66 HB3 HIS 10 3HB HIS 10 39.562 9.235 41.753 67 HD1 HIS 10 1HD HIS 10 38.353 11.758 44.354 68 HD2 HIS 10 2HD HIS 10 39.366 11.538 40.308 69 HE1 HIS 10 1HE HIS 10 38.277 14.131 43.478 70 HE2 HIS 10 2HE HIS 10 38.899 13.997 41.022 71 H SER 11 HN SER 11 35.194 8.863 42.731 72 HA SER 11 HA SER 11 34.942 9.832 39.998 73 HB2 SER 11 2HB SER 11 34.180 6.967 40.687 74 HB3 SER 11 3HB SER 11 33.666 7.826 39.215 75 HG SER 11 HG SER 11 35.542 6.533 38.881 76 H SER 12 HN SER 12 33.241 11.140 40.025 77 HA SER 12 HA SER 12 30.922 10.363 41.726 78 HB2 SER 12 2HB SER 12 32.118 13.133 41.341 79 HB3 SER 12 3HB SER 12 30.560 12.803 42.137 80 HG SER 12 HG SER 12 32.302 12.984 43.630 81 H GLY 13 HN GLY 13 28.860 10.957 40.937 82 HA2 GLY 13 1HA GLY 13 28.331 12.561 38.720 83 HA3 GLY 13 2HA GLY 13 28.634 10.931 38.079 84 H ARG 14 HN ARG 14 26.131 12.385 37.943 85 HA ARG 14 HA ARG 14 24.473 10.788 39.826 86 HB2 ARG 14 2HB ARG 14 23.677 13.158 38.104 87 HB3 ARG 14 3HB ARG 14 22.675 12.345 39.330 88 HG2 ARG 14 2HG ARG 14 24.229 13.080 41.085 89 HG3 ARG 14 3HG ARG 14 25.220 13.903 39.857 90 HD2 ARG 14 2HD ARG 14 23.284 15.312 39.258 91 HD3 ARG 14 3HD ARG 14 22.319 14.506 40.513 92 HE ARG 14 HE ARG 14 24.812 15.909 41.291 93 HH11 ARG 14 2HH1 ARG 14 21.304 15.622 41.355 94 HH12 ARG 14 1HH1 ARG 14 21.100 16.827 42.607 95 HH21 ARG 14 2HH2 ARG 14 24.543 17.505 42.904 96 HH22 ARG 14 1HH2 ARG 14 22.941 17.897 43.487 97 H GLU 15 HN GLU 15 23.497 12.195 36.742 98 HA GLU 15 HA GLU 15 22.466 11.323 34.925 99 HB2 GLU 15 2HB GLU 15 24.493 9.123 35.373 100 HB3 GLU 15 3HB GLU 15 23.483 9.277 33.917 101 HG2 GLU 15 2HG GLU 15 24.450 11.542 33.558 102 HG3 GLU 15 3HG GLU 15 25.538 11.253 34.931 103 HE2 GLU 15 2HE GLU 15 26.400 9.646 31.444 104 H ASN 16 HN ASN 16 20.469 11.124 35.993 105 HA ASN 16 HA ASN 16 19.679 8.281 36.413 106 HB2 ASN 16 2HB ASN 16 17.852 9.082 37.792 107 HB3 ASN 16 3HB ASN 16 19.388 9.723 38.413 108 HD21 ASN 16 1HD2 ASN 16 16.615 10.686 38.797 109 HD22 ASN 16 2HD2 ASN 16 16.611 12.345 38.239 110 H LEU 17 HN LEU 17 16.995 8.415 36.091 111 HA LEU 17 HA LEU 17 16.784 8.875 33.217 112 HB2 LEU 17 2HB LEU 17 14.760 7.906 35.253 113 HB3 LEU 17 3HB LEU 17 14.509 7.954 33.492 114 HG LEU 17 HG LEU 17 16.566 6.272 34.951 115 HD11 LEU 17 1HD1 LEU 17 15.155 4.377 34.254 116 HD12 LEU 17 2HD1 LEU 17 14.260 5.502 35.302 117 HD13 LEU 17 3HD1 LEU 17 13.984 5.513 33.543 118 HD21 LEU 17 3HD2 LEU 17 17.321 6.979 32.720 119 HD22 LEU 17 1HD2 LEU 17 16.948 5.240 32.746 120 HD23 LEU 17 2HD2 LEU 17 15.800 6.385 32.013 121 H TYR 18 HN TYR 18 16.408 10.858 32.459 122 HA TYR 18 HA TYR 18 15.074 12.897 34.023 123 HB2 TYR 18 2HB TYR 18 15.731 12.767 31.060 124 HB3 TYR 18 3HB TYR 18 15.156 14.204 31.919 125 HD1 TYR 18 2HD TYR 18 16.622 15.026 33.914 126 HD2 TYR 18 1HD TYR 18 18.043 12.355 30.912 127 HE1 TYR 18 2HE TYR 18 18.934 15.612 34.490 128 HE2 TYR 18 1HE TYR 18 20.358 12.942 31.488 129 HH TYR 18 HH TYR 18 21.140 15.282 34.063 130 H PHE 19 HN PHE 19 12.972 12.773 34.484 131 HA PHE 19 HA PHE 19 11.338 10.953 32.867 132 HB2 PHE 19 2HB PHE 19 11.387 10.705 35.301 133 HB3 PHE 19 3HB PHE 19 10.806 12.368 35.500 134 HD1 PHE 19 2HD PHE 19 9.855 9.059 34.070 135 HD2 PHE 19 1HD PHE 19 8.504 12.818 35.557 136 HE1 PHE 19 2HE PHE 19 7.535 8.258 33.984 137 HE2 PHE 19 1HE PHE 19 6.182 12.020 35.464 138 HZ PHE 19 HZ PHE 19 5.694 9.740 34.676 139 H GLN 20 HN GLN 20 9.625 11.441 31.668 140 HA GLN 20 HA GLN 20 8.157 13.914 32.099 141 HB2 GLN 20 2HB GLN 20 10.066 14.492 30.494 142 HB3 GLN 20 3HB GLN 20 9.256 13.421 29.326 143 HG2 GLN 20 2HG GLN 20 7.222 14.805 29.497 144 HG3 GLN 20 3HG GLN 20 8.068 15.889 30.621 145 HE21 GLN 20 1HE2 GLN 20 9.811 17.178 29.854 146 HE22 GLN 20 2HE2 GLN 20 9.975 17.543 28.150 147 H GLY 21 HN GLY 21 6.033 13.666 31.511 148 HA2 GLY 21 1HA GLY 21 5.144 11.003 30.898 149 HA3 GLY 21 2HA GLY 21 4.140 12.468 30.984 150 H HIS 22 HN HIS 22 5.952 13.808 29.003 151 HA HIS 22 HA HIS 22 6.173 14.100 26.749 152 HB2 HIS 22 2HB HIS 22 6.993 11.758 26.688 153 HB3 HIS 22 3HB HIS 22 5.323 11.200 26.466 154 HD1 HIS 22 1HD HIS 22 4.461 11.084 24.110 155 HD2 HIS 22 2HD HIS 22 7.959 13.343 24.443 156 HE1 HIS 22 1HE HIS 22 5.189 11.616 21.740 157 HE2 HIS 22 2HE HIS 22 7.314 12.991 21.947 158 H MET 23 HN MET 23 4.814 15.345 25.667 159 HA MET 23 HA MET 23 2.024 15.317 26.146 160 HB2 MET 23 2HB MET 23 3.243 17.302 25.398 161 HB3 MET 23 3HB MET 23 3.564 16.525 23.830 162 HG2 MET 23 2HG MET 23 1.235 16.554 23.259 163 HG3 MET 23 3HG MET 23 0.783 17.081 24.889 164 HE1 MET 23 3HE MET 23 2.939 19.270 25.582 165 HE2 MET 23 1HE MET 23 2.128 20.749 25.017 166 HE3 MET 23 2HE MET 23 1.191 19.486 25.850 167 H ALA 24 HN ALA 24 0.341 14.361 25.233 168 HA ALA 24 HA ALA 24 0.769 12.006 23.692 169 HB1 ALA 24 1HB ALA 24 -1.690 11.872 23.645 170 HB2 ALA 24 2HB ALA 24 -1.094 12.279 25.271 171 HB3 ALA 24 3HB ALA 24 -1.792 13.547 24.234 172 H ALA 25 HN ALA 25 -0.091 11.460 21.623 173 HA ALA 25 HA ALA 25 0.184 13.701 19.716 174 HB1 ALA 25 1HB ALA 25 0.386 11.929 18.017 175 HB2 ALA 25 2HB ALA 25 1.551 11.693 19.339 176 HB3 ALA 25 3HB ALA 25 0.077 10.698 19.264 177 H ARG 26 HN ARG 26 -1.362 14.035 18.031 178 HA ARG 26 HA ARG 26 -4.065 13.018 18.769 179 HB2 ARG 26 2HB ARG 26 -3.209 15.640 17.515 180 HB3 ARG 26 3HB ARG 26 -4.897 15.080 17.582 181 HG2 ARG 26 2HG ARG 26 -3.144 15.485 20.018 182 HG3 ARG 26 3HG ARG 26 -4.259 16.712 19.371 183 HD2 ARG 26 2HD ARG 26 -5.430 15.633 21.127 184 HD3 ARG 26 3HD ARG 26 -6.105 14.980 19.618 185 HE ARG 26 HE ARG 26 -3.954 13.355 20.668 186 HH11 ARG 26 2HH1 ARG 26 -7.396 14.064 20.881 187 HH12 ARG 26 1HH1 ARG 26 -7.806 12.500 21.549 188 HH21 ARG 26 2HH2 ARG 26 -4.498 11.320 21.565 189 HH22 ARG 26 1HH2 ARG 26 -6.165 10.946 21.936 190 H ILE 27 HN ILE 27 -5.600 12.832 16.926 191 HA ILE 27 HA ILE 27 -4.225 11.435 14.759 192 HB ILE 27 HB ILE 27 -6.557 10.878 13.991 193 HG12 ILE 27 2HG1 ILE 27 -7.361 12.216 16.592 194 HG13 ILE 27 3HG1 ILE 27 -7.682 12.851 14.960 195 HG21 ILE 27 1HG2 ILE 27 -6.986 9.288 15.821 196 HG22 ILE 27 2HG2 ILE 27 -5.253 9.374 15.427 197 HG23 ILE 27 3HG2 ILE 27 -5.879 10.202 16.873 198 HD11 ILE 27 3HD1 ILE 27 -8.744 10.253 16.100 199 HD12 ILE 27 1HD1 ILE 27 -9.674 11.752 15.898 200 HD13 ILE 27 2HD1 ILE 27 -9.066 10.889 14.470 201 H THR 28 HN THR 28 -3.587 12.391 12.978 202 HA THR 28 HA THR 28 -4.698 15.028 12.300 203 HB THR 28 HB THR 28 -2.848 15.008 10.572 204 HG1 THR 28 1HG THR 28 -1.254 13.367 10.873 205 HG21 THR 28 3HG2 THR 28 -2.024 14.526 13.456 206 HG22 THR 28 1HG2 THR 28 -1.041 15.341 12.217 207 HG23 THR 28 2HG2 THR 28 -2.564 16.077 12.769 208 H GLY 29 HN GLY 29 -4.510 15.249 9.642 209 HA2 GLY 29 1HA GLY 29 -6.845 13.889 8.726 210 HA3 GLY 29 2HA GLY 29 -5.731 14.861 7.738 211 H GLU 30 HN GLU 30 -6.892 11.745 8.449 212 HA GLU 30 HA GLU 30 -4.664 10.555 6.877 213 HB2 GLU 30 2HB GLU 30 -5.480 8.370 7.936 214 HB3 GLU 30 3HB GLU 30 -4.562 9.505 8.955 215 HG2 GLU 30 2HG GLU 30 -6.552 10.238 10.057 216 HG3 GLU 30 3HG GLU 30 -7.581 9.344 8.916 217 HE2 GLU 30 2HE GLU 30 -7.411 6.548 10.878 218 HA PRO 31 HA PRO 31 -8.290 10.315 4.075 219 HB2 PRO 31 2HB PRO 31 -6.104 10.302 2.034 220 HB3 PRO 31 3HB PRO 31 -7.532 11.374 2.203 221 HG2 PRO 31 2HG PRO 31 -5.041 12.211 2.701 222 HG3 PRO 31 3HG PRO 31 -6.470 12.869 3.563 223 HD2 PRO 31 2HD PRO 31 -4.395 10.857 4.444 224 HD3 PRO 31 3HD PRO 31 -5.211 12.143 5.384 225 H SER 32 HN SER 32 -8.418 8.776 2.034 226 HA SER 32 HA SER 32 -8.159 6.139 3.043 227 HB2 SER 32 2HB SER 32 -8.449 6.935 0.131 228 HB3 SER 32 3HB SER 32 -9.017 5.444 0.921 229 HG SER 32 HG SER 32 -10.694 6.996 0.641 230 H LYS 33 HN LYS 33 -6.190 7.967 0.665 231 HA LYS 33 HA LYS 33 -4.051 7.641 -0.086 232 HB2 LYS 33 2HB LYS 33 -3.820 6.009 2.466 233 HB3 LYS 33 3HB LYS 33 -2.451 6.513 1.447 234 HG2 LYS 33 2HG LYS 33 -4.361 8.422 2.811 235 HG3 LYS 33 3HG LYS 33 -2.796 7.908 3.483 236 HD2 LYS 33 2HD LYS 33 -1.701 8.788 1.403 237 HD3 LYS 33 3HD LYS 33 -3.281 9.447 0.915 238 HE2 LYS 33 2HE LYS 33 -3.362 10.795 2.962 239 HE3 LYS 33 3HE LYS 33 -1.802 10.120 3.479 240 HZ1 LYS 33 3HZ LYS 33 -2.249 11.750 1.071 241 HZ2 LYS 33 1HZ LYS 33 -1.547 12.273 2.467 242 HZ3 LYS 33 2HZ LYS 33 -0.801 11.124 1.552 243 H LYS 34 HN LYS 34 -2.266 5.543 -0.063 244 HA LYS 34 HA LYS 34 -3.829 3.286 -1.225 245 HB2 LYS 34 2HB LYS 34 -2.416 4.437 -2.875 246 HB3 LYS 34 3HB LYS 34 -0.991 4.168 -1.843 247 HG2 LYS 34 2HG LYS 34 -0.973 2.578 -3.644 248 HG3 LYS 34 3HG LYS 34 -1.302 1.723 -2.118 249 HD2 LYS 34 2HD LYS 34 -3.556 2.621 -3.908 250 HD3 LYS 34 3HD LYS 34 -2.679 1.106 -4.228 251 HE2 LYS 34 2HE LYS 34 -3.229 0.301 -1.980 252 HE3 LYS 34 3HE LYS 34 -4.079 1.822 -1.634 253 HZ1 LYS 34 3HZ LYS 34 -4.820 -0.120 -3.710 254 HZ2 LYS 34 1HZ LYS 34 -5.589 0.084 -2.267 255 HZ3 LYS 34 2HZ LYS 34 -5.610 1.291 -3.389 256 H ALA 35 HN ALA 35 -4.126 2.313 0.796 257 HA ALA 35 HA ALA 35 -1.825 1.778 2.496 258 HB1 ALA 35 1HB ALA 35 -3.465 0.625 3.930 259 HB2 ALA 35 2HB ALA 35 -4.039 2.241 3.456 260 HB3 ALA 35 3HB ALA 35 -4.694 0.792 2.655 261 H VAL 36 HN VAL 36 -0.469 0.159 2.290 262 HA VAL 36 HA VAL 36 -1.092 -2.093 0.552 263 HB VAL 36 HB VAL 36 1.173 -1.241 0.523 264 HG11 VAL 36 1HG1 VAL 36 2.664 -1.347 2.477 265 HG12 VAL 36 2HG1 VAL 36 1.267 -0.291 2.778 266 HG13 VAL 36 3HG1 VAL 36 1.312 -1.929 3.473 267 HG21 VAL 36 3HG2 VAL 36 0.882 -3.647 0.168 268 HG22 VAL 36 1HG2 VAL 36 2.439 -3.306 0.956 269 HG23 VAL 36 2HG2 VAL 36 1.079 -3.935 1.913 270 H SER 37 HN SER 37 -1.775 -4.047 1.136 271 HA SER 37 HA SER 37 -2.311 -4.413 4.040 272 HB2 SER 37 2HB SER 37 -3.715 -5.640 1.639 273 HB3 SER 37 3HB SER 37 -4.182 -5.822 3.348 274 HG SER 37 HG SER 37 -5.392 -4.189 2.265 275 H ASP 38 HN ASP 38 -1.546 -6.122 5.107 276 HA ASP 38 HA ASP 38 0.403 -7.844 3.852 277 HB2 ASP 38 2HB ASP 38 0.562 -8.917 6.046 278 HB3 ASP 38 3HB ASP 38 0.598 -7.147 6.203 279 HD2 ASP 38 2HD ASP 38 -2.395 -9.139 7.853 280 H ARG 39 HN ARG 39 -2.994 -7.887 4.108 281 HA ARG 39 HA ARG 39 -3.332 -10.766 4.150 282 HB2 ARG 39 2HB ARG 39 -5.271 -8.586 3.311 283 HB3 ARG 39 3HB ARG 39 -5.676 -10.276 3.699 284 HG2 ARG 39 2HG ARG 39 -4.930 -9.925 6.008 285 HG3 ARG 39 3HG ARG 39 -4.521 -8.236 5.620 286 HD2 ARG 39 2HD ARG 39 -6.913 -7.872 4.989 287 HD3 ARG 39 3HD ARG 39 -7.269 -9.515 5.561 288 HE ARG 39 HE ARG 39 -5.907 -8.027 7.590 289 HH11 ARG 39 2HH1 ARG 39 -9.034 -8.379 6.015 290 HH12 ARG 39 1HH1 ARG 39 -9.934 -7.782 7.391 291 HH21 ARG 39 2HH2 ARG 39 -7.075 -7.238 9.369 292 HH22 ARG 39 1HH2 ARG 39 -8.820 -7.134 9.297 293 H LEU 40 HN LEU 40 -2.131 -8.679 1.841 294 HA LEU 40 HA LEU 40 -3.366 -9.892 -0.493 295 HB2 LEU 40 2HB LEU 40 -0.935 -8.113 -0.164 296 HB3 LEU 40 3HB LEU 40 -1.616 -8.626 -1.726 297 HG LEU 40 HG LEU 40 -3.029 -6.943 0.357 298 HD11 LEU 40 1HD1 LEU 40 -2.772 -5.113 -1.269 299 HD12 LEU 40 2HD1 LEU 40 -1.194 -5.745 -0.745 300 HD13 LEU 40 3HD1 LEU 40 -1.850 -6.194 -2.338 301 HD21 LEU 40 3HD2 LEU 40 -4.568 -8.349 -0.933 302 HD22 LEU 40 1HD2 LEU 40 -4.746 -6.636 -1.377 303 HD23 LEU 40 2HD2 LEU 40 -3.859 -7.742 -2.449 304 H ILE 41 HN ILE 41 -0.911 -10.766 1.707 305 HA ILE 41 HA ILE 41 0.741 -12.275 -0.107 306 HB ILE 41 HB ILE 41 0.355 -12.590 2.895 307 HG12 ILE 41 2HG1 ILE 41 1.112 -10.345 2.283 308 HG13 ILE 41 3HG1 ILE 41 2.394 -11.260 3.113 309 HG21 ILE 41 1HG2 ILE 41 2.539 -13.728 2.854 310 HG22 ILE 41 2HG2 ILE 41 1.340 -14.584 1.857 311 HG23 ILE 41 3HG2 ILE 41 2.584 -13.574 1.083 312 HD11 ILE 41 3HD1 ILE 41 2.188 -10.793 0.126 313 HD12 ILE 41 1HD1 ILE 41 3.303 -9.960 1.228 314 HD13 ILE 41 2HD1 ILE 41 3.471 -11.706 0.955 315 H GLY 42 HN GLY 42 -0.296 -13.709 -1.359 316 HA2 GLY 42 1HA GLY 42 -0.940 -16.062 -1.411 317 HA3 GLY 42 2HA GLY 42 -1.893 -15.781 0.064 318 H ARG 43 HN ARG 43 -2.237 -13.082 -1.851 319 HA ARG 43 HA ARG 43 -4.930 -13.889 -2.623 320 HB2 ARG 43 2HB ARG 43 -3.337 -11.336 -2.934 321 HB3 ARG 43 3HB ARG 43 -4.952 -11.549 -3.653 322 HG2 ARG 43 2HG ARG 43 -4.272 -11.711 -0.709 323 HG3 ARG 43 3HG ARG 43 -5.070 -10.350 -1.535 324 HD2 ARG 43 2HD ARG 43 -6.851 -12.030 -2.255 325 HD3 ARG 43 3HD ARG 43 -6.122 -13.149 -1.084 326 HE ARG 43 HE ARG 43 -7.182 -10.471 -0.308 327 HH11 ARG 43 2HH1 ARG 43 -6.786 -13.930 0.252 328 HH12 ARG 43 1HH1 ARG 43 -7.736 -13.925 1.719 329 HH21 ARG 43 2HH2 ARG 43 -8.451 -10.487 1.578 330 HH22 ARG 43 1HH2 ARG 43 -8.679 -11.974 2.469 331 H LYS 44 HN LYS 44 -5.746 -13.368 -4.827 332 HA LYS 44 HA LYS 44 -4.043 -14.649 -6.820 333 HB2 LYS 44 2HB LYS 44 -6.905 -13.769 -6.583 334 HB3 LYS 44 3HB LYS 44 -6.213 -14.067 -8.196 335 HG2 LYS 44 2HG LYS 44 -5.594 -16.369 -7.401 336 HG3 LYS 44 3HG LYS 44 -6.534 -16.038 -5.927 337 HD2 LYS 44 2HD LYS 44 -7.911 -17.235 -7.550 338 HD3 LYS 44 3HD LYS 44 -8.527 -15.581 -7.324 339 HE2 LYS 44 2HE LYS 44 -7.147 -14.932 -9.361 340 HE3 LYS 44 3HE LYS 44 -6.898 -16.671 -9.634 341 HZ1 LYS 44 3HZ LYS 44 -9.503 -15.308 -9.534 342 HZ2 LYS 44 1HZ LYS 44 -8.744 -15.827 -10.900 343 HZ3 LYS 44 2HZ LYS 44 -9.272 -16.921 -9.787 344 H GLY 45 HN GLY 45 -3.942 -13.723 -9.023 345 HA2 GLY 45 1HA GLY 45 -4.457 -10.879 -9.326 346 HA3 GLY 45 2HA GLY 45 -2.730 -11.305 -9.312 347 H VAL 46 HN VAL 46 -4.798 -10.377 -11.440 348 HA VAL 46 HA VAL 46 -4.278 -12.573 -13.369 349 HB VAL 46 HB VAL 46 -6.627 -11.798 -13.175 350 HG11 VAL 46 1HG1 VAL 46 -7.277 -9.574 -13.989 351 HG12 VAL 46 2HG1 VAL 46 -6.205 -9.466 -12.575 352 HG13 VAL 46 3HG1 VAL 46 -5.564 -9.155 -14.206 353 HG21 VAL 46 3HG2 VAL 46 -5.831 -12.737 -15.288 354 HG22 VAL 46 1HG2 VAL 46 -7.061 -11.483 -15.573 355 HG23 VAL 46 2HG2 VAL 46 -5.341 -11.114 -15.833 356 H VAL 47 HN VAL 47 -3.164 -12.208 -15.285 357 HA VAL 47 HA VAL 47 -1.274 -9.976 -15.102 358 HB VAL 47 HB VAL 47 -1.410 -12.250 -17.117 359 HG11 VAL 47 1HG1 VAL 47 0.939 -11.682 -17.574 360 HG12 VAL 47 2HG1 VAL 47 -0.139 -10.309 -17.914 361 HG13 VAL 47 3HG1 VAL 47 0.835 -10.330 -16.423 362 HG21 VAL 47 3HG2 VAL 47 -1.127 -13.084 -14.827 363 HG22 VAL 47 1HG2 VAL 47 0.364 -13.300 -15.772 364 HG23 VAL 47 2HG2 VAL 47 0.246 -11.978 -14.587 365 H MET 48 HN MET 48 -1.954 -8.081 -15.847 366 HA MET 48 HA MET 48 -3.720 -7.955 -18.192 367 HB2 MET 48 2HB MET 48 -2.526 -5.815 -16.404 368 HB3 MET 48 3HB MET 48 -3.626 -5.497 -17.766 369 HG2 MET 48 2HG MET 48 -4.294 -7.175 -15.335 370 HG3 MET 48 3HG MET 48 -4.756 -5.480 -15.563 371 HE1 MET 48 3HE MET 48 -5.368 -5.504 -18.745 372 HE2 MET 48 1HE MET 48 -7.128 -5.754 -18.726 373 HE3 MET 48 2HE MET 48 -6.377 -4.655 -17.549 374 H GLU 49 HN GLU 49 -0.361 -7.217 -17.280 375 HA GLU 49 HA GLU 49 0.185 -6.960 -20.195 376 HB2 GLU 49 2HB GLU 49 0.428 -4.767 -19.067 377 HB3 GLU 49 3HB GLU 49 1.640 -5.487 -17.979 378 HG2 GLU 49 2HG GLU 49 3.101 -5.955 -19.857 379 HG3 GLU 49 3HG GLU 49 1.875 -5.355 -20.995 380 HE2 GLU 49 2HE GLU 49 4.321 -2.797 -19.396 381 H ALA 50 HN ALA 50 1.929 -8.052 -20.978 382 HA ALA 50 HA ALA 50 2.582 -10.466 -19.734 383 HB1 ALA 50 1HB ALA 50 4.303 -10.694 -21.482 384 HB2 ALA 50 2HB ALA 50 2.783 -10.055 -22.148 385 HB3 ALA 50 3HB ALA 50 4.155 -8.961 -21.851 386 H ILE 51 HN ILE 51 3.902 -11.078 -18.205 387 HA ILE 51 HA ILE 51 5.773 -9.143 -17.043 388 HB ILE 51 HB ILE 51 5.058 -11.992 -16.224 389 HG12 ILE 51 2HG1 ILE 51 4.212 -9.319 -15.056 390 HG13 ILE 51 3HG1 ILE 51 3.193 -10.375 -16.064 391 HG21 ILE 51 1HG2 ILE 51 6.187 -11.448 -14.101 392 HG22 ILE 51 2HG2 ILE 51 7.309 -11.341 -15.478 393 HG23 ILE 51 3HG2 ILE 51 6.645 -9.858 -14.753 394 HD11 ILE 51 3HD1 ILE 51 4.325 -11.067 -13.343 395 HD12 ILE 51 1HD1 ILE 51 2.642 -10.617 -13.679 396 HD13 ILE 51 2HD1 ILE 51 3.305 -12.121 -14.350 397 H SER 52 HN SER 52 7.874 -9.057 -17.564 398 HA SER 52 HA SER 52 9.127 -11.524 -18.643 399 HB2 SER 52 2HB SER 52 10.387 -10.004 -20.246 400 HB3 SER 52 3HB SER 52 8.661 -10.250 -20.606 401 HG SER 52 HG SER 52 9.291 -8.040 -20.736 402 HA PRO 53 HA PRO 53 12.606 -10.717 -16.028 403 HB2 PRO 53 2HB PRO 53 14.386 -10.905 -18.448 404 HB3 PRO 53 3HB PRO 53 14.365 -11.872 -16.937 405 HG2 PRO 53 2HG PRO 53 13.487 -12.828 -19.275 406 HG3 PRO 53 3HG PRO 53 12.813 -13.353 -17.698 407 HD2 PRO 53 2HD PRO 53 11.686 -11.541 -19.808 408 HD3 PRO 53 3HD PRO 53 10.844 -12.605 -18.641 409 H GLN 54 HN GLN 54 12.311 -8.966 -19.086 410 HA GLN 54 HA GLN 54 14.106 -6.828 -18.185 411 HB2 GLN 54 2HB GLN 54 12.351 -7.103 -20.647 412 HB3 GLN 54 3HB GLN 54 13.484 -5.766 -20.341 413 HG2 GLN 54 2HG GLN 54 15.360 -7.315 -20.376 414 HG3 GLN 54 3HG GLN 54 14.249 -8.683 -20.605 415 HE21 GLN 54 1HE2 GLN 54 13.229 -8.995 -22.591 416 HE22 GLN 54 2HE2 GLN 54 13.775 -8.190 -24.048 417 H ASN 55 HN ASN 55 10.652 -7.051 -19.189 418 HA ASN 55 HA ASN 55 10.192 -4.549 -17.644 419 HB2 ASN 55 2HB ASN 55 9.644 -4.274 -19.965 420 HB3 ASN 55 3HB ASN 55 8.731 -5.799 -19.992 421 HD21 ASN 55 1HD2 ASN 55 6.616 -5.862 -19.241 422 HD22 ASN 55 2HD2 ASN 55 5.721 -4.416 -18.821 423 H SER 56 HN SER 56 9.227 -4.758 -15.743 424 HA SER 56 HA SER 56 7.952 -7.186 -14.905 425 HB2 SER 56 2HB SER 56 7.453 -4.466 -13.690 426 HB3 SER 56 3HB SER 56 7.517 -6.055 -12.890 427 HG SER 56 HG SER 56 9.421 -4.807 -12.545 428 H GLY 57 HN GLY 57 5.748 -7.644 -14.647 429 HA2 GLY 57 1HA GLY 57 4.178 -6.316 -16.758 430 HA3 GLY 57 2HA GLY 57 3.823 -7.877 -15.983 431 H LEU 58 HN LEU 58 1.723 -6.340 -16.313 432 HA LEU 58 HA LEU 58 1.344 -4.943 -13.713 433 HB2 LEU 58 2HB LEU 58 -0.113 -4.682 -16.356 434 HB3 LEU 58 3HB LEU 58 -0.611 -3.883 -14.846 435 HG LEU 58 HG LEU 58 1.988 -3.435 -16.331 436 HD11 LEU 58 1HD1 LEU 58 1.049 -1.218 -16.824 437 HD12 LEU 58 2HD1 LEU 58 0.038 -2.518 -17.495 438 HD13 LEU 58 3HD1 LEU 58 -0.464 -1.678 -16.008 439 HD21 LEU 58 3HD2 LEU 58 2.238 -3.185 -13.905 440 HD22 LEU 58 1HD2 LEU 58 2.340 -1.608 -14.723 441 HD23 LEU 58 2HD2 LEU 58 0.849 -2.073 -13.871 442 H VAL 59 HN VAL 59 0.216 -6.007 -12.235 443 HA VAL 59 HA VAL 59 -1.743 -8.027 -13.188 444 HB VAL 59 HB VAL 59 -1.631 -8.921 -10.829 445 HG11 VAL 59 1HG1 VAL 59 0.490 -10.119 -11.182 446 HG12 VAL 59 2HG1 VAL 59 -0.442 -9.987 -12.691 447 HG13 VAL 59 3HG1 VAL 59 0.958 -8.923 -12.414 448 HG21 VAL 59 3HG2 VAL 59 -0.729 -6.923 -9.732 449 HG22 VAL 59 1HG2 VAL 59 0.321 -8.330 -9.452 450 HG23 VAL 59 2HG2 VAL 59 0.789 -7.097 -10.646 451 H LYS 60 HN LYS 60 -3.850 -7.854 -12.680 452 HA LYS 60 HA LYS 60 -4.621 -5.302 -11.387 453 HB2 LYS 60 2HB LYS 60 -5.433 -5.789 -13.677 454 HB3 LYS 60 3HB LYS 60 -6.259 -7.237 -13.053 455 HG2 LYS 60 2HG LYS 60 -7.751 -5.895 -11.734 456 HG3 LYS 60 3HG LYS 60 -6.846 -4.414 -12.129 457 HD2 LYS 60 2HD LYS 60 -7.408 -4.730 -14.518 458 HD3 LYS 60 3HD LYS 60 -8.353 -6.176 -14.090 459 HE2 LYS 60 2HE LYS 60 -8.901 -3.416 -12.966 460 HE3 LYS 60 3HE LYS 60 -9.695 -4.064 -14.418 461 HZ1 LYS 60 3HZ LYS 60 -9.818 -5.248 -11.725 462 HZ2 LYS 60 1HZ LYS 60 -11.025 -4.395 -12.455 463 HZ3 LYS 60 2HZ LYS 60 -10.556 -5.848 -13.073 464 H VAL 61 HN VAL 61 -4.869 -5.493 -9.268 465 HA VAL 61 HA VAL 61 -6.120 -7.949 -8.189 466 HB VAL 61 HB VAL 61 -4.834 -5.615 -6.720 467 HG11 VAL 61 1HG1 VAL 61 -4.856 -7.114 -4.767 468 HG12 VAL 61 2HG1 VAL 61 -6.500 -6.809 -5.374 469 HG13 VAL 61 3HG1 VAL 61 -5.691 -8.354 -5.731 470 HG21 VAL 61 3HG2 VAL 61 -3.202 -6.835 -8.083 471 HG22 VAL 61 1HG2 VAL 61 -2.930 -7.129 -6.351 472 HG23 VAL 61 2HG2 VAL 61 -3.725 -8.369 -7.350 473 H ASP 62 HN ASP 62 -8.244 -7.906 -8.128 474 HA ASP 62 HA ASP 62 -10.396 -7.214 -7.948 475 HB2 ASP 62 2HB ASP 62 -9.682 -6.554 -5.650 476 HB3 ASP 62 3HB ASP 62 -9.331 -4.923 -6.263 477 HD2 ASP 62 2HD ASP 62 -13.088 -5.950 -5.590 478 H GLY 63 HN GLY 63 -9.109 -3.907 -7.715 479 HA2 GLY 63 1HA GLY 63 -9.999 -3.450 -10.506 480 HA3 GLY 63 2HA GLY 63 -10.652 -2.445 -9.192 481 H GLU 64 HN GLU 64 -7.503 -3.294 -8.427 482 HA GLU 64 HA GLU 64 -6.473 -0.790 -9.679 483 HB2 GLU 64 2HB GLU 64 -5.868 -2.004 -6.968 484 HB3 GLU 64 3HB GLU 64 -4.977 -0.642 -7.685 485 HG2 GLU 64 2HG GLU 64 -7.070 0.660 -7.758 486 HG3 GLU 64 3HG GLU 64 -7.923 -0.694 -6.984 487 HE2 GLU 64 2HE GLU 64 -5.507 1.530 -4.744 488 H THR 65 HN THR 65 -4.436 -0.856 -10.600 489 HA THR 65 HA THR 65 -3.454 -3.617 -11.002 490 HB THR 65 HB THR 65 -4.006 -2.434 -13.060 491 HG1 THR 65 1HG THR 65 -1.942 -2.662 -14.077 492 HG21 THR 65 3HG2 THR 65 -1.927 -0.387 -12.211 493 HG22 THR 65 1HG2 THR 65 -2.767 -0.424 -13.778 494 HG23 THR 65 2HG2 THR 65 -3.686 -0.123 -12.287 495 H TRP 66 HN TRP 66 -1.557 -4.296 -10.342 496 HA TRP 66 HA TRP 66 0.336 -2.289 -9.209 497 HB2 TRP 66 2HB TRP 66 -0.161 -5.174 -8.382 498 HB3 TRP 66 3HB TRP 66 1.125 -4.144 -7.740 499 HD1 TRP 66 1HD TRP 66 -2.742 -4.445 -7.712 500 HE1 TRP 66 1HE TRP 66 -3.663 -3.231 -5.658 501 HE3 TRP 66 3HE TRP 66 1.636 -2.405 -6.046 502 HZ2 TRP 66 2HZ TRP 66 -2.621 -1.598 -3.580 503 HZ3 TRP 66 3HZ TRP 66 1.594 -1.015 -4.017 504 HH2 TRP 66 2HH TRP 66 -0.504 -0.631 -2.792 505 H ARG 67 HN ARG 67 2.651 -3.047 -9.309 506 HA ARG 67 HA ARG 67 3.100 -4.292 -11.947 507 HB2 ARG 67 2HB ARG 67 5.050 -2.980 -10.029 508 HB3 ARG 67 3HB ARG 67 5.430 -3.584 -11.660 509 HG2 ARG 67 2HG ARG 67 5.200 -1.238 -11.861 510 HG3 ARG 67 3HG ARG 67 3.707 -1.937 -12.532 511 HD2 ARG 67 2HD ARG 67 2.530 -1.497 -10.453 512 HD3 ARG 67 3HD ARG 67 4.023 -0.890 -9.706 513 HE ARG 67 HE ARG 67 2.865 0.466 -12.084 514 HH11 ARG 67 2HH1 ARG 67 3.978 0.495 -8.741 515 HH12 ARG 67 1HH1 ARG 67 3.771 2.221 -8.555 516 HH21 ARG 67 2HH2 ARG 67 2.554 2.716 -11.806 517 HH22 ARG 67 1HH2 ARG 67 2.967 3.474 -10.286 518 H ALA 68 HN ALA 68 4.382 -6.130 -12.213 519 HA ALA 68 HA ALA 68 4.734 -7.698 -9.716 520 HB1 ALA 68 1HB ALA 68 3.750 -9.654 -10.836 521 HB2 ALA 68 2HB ALA 68 2.591 -8.307 -10.742 522 HB3 ALA 68 3HB ALA 68 3.423 -8.663 -12.276 523 H THR 69 HN THR 69 6.433 -9.029 -9.602 524 HA THR 69 HA THR 69 8.155 -9.187 -12.022 525 HB THR 69 HB THR 69 10.029 -9.558 -10.305 526 HG1 THR 69 1HG THR 69 9.562 -8.647 -8.232 527 HG21 THR 69 3HG2 THR 69 8.649 -6.856 -10.367 528 HG22 THR 69 1HG2 THR 69 10.348 -7.145 -9.930 529 HG23 THR 69 2HG2 THR 69 9.790 -7.476 -11.585 530 H SER 70 HN SER 70 8.637 -11.138 -12.771 531 HA SER 70 HA SER 70 8.443 -13.483 -10.976 532 HB2 SER 70 2HB SER 70 7.039 -13.282 -13.671 533 HB3 SER 70 3HB SER 70 7.113 -14.723 -12.628 534 HG SER 70 HG SER 70 5.158 -13.540 -12.375 535 H GLY 71 HN GLY 71 9.480 -15.425 -11.981 536 HA2 GLY 71 1HA GLY 71 11.807 -14.578 -13.558 537 HA3 GLY 71 2HA GLY 71 11.537 -16.170 -12.814 538 H THR 72 HN THR 72 8.738 -16.087 -14.056 539 HA THR 72 HA THR 72 9.613 -17.164 -16.673 540 HB THR 72 HB THR 72 7.071 -17.971 -16.536 541 HG1 THR 72 1HG THR 72 6.555 -18.396 -14.321 542 HG21 THR 72 3HG2 THR 72 9.312 -19.220 -14.911 543 HG22 THR 72 1HG2 THR 72 7.851 -20.058 -15.479 544 HG23 THR 72 2HG2 THR 72 9.036 -19.444 -16.655 545 H VAL 73 HN VAL 73 8.510 -16.634 -18.612 546 HA VAL 73 HA VAL 73 7.512 -13.892 -18.624 547 HB VAL 73 HB VAL 73 7.734 -15.883 -20.914 548 HG11 VAL 73 1HG1 VAL 73 7.627 -13.892 -22.357 549 HG12 VAL 73 2HG1 VAL 73 6.163 -14.052 -21.359 550 HG13 VAL 73 3HG1 VAL 73 7.414 -12.864 -20.921 551 HG21 VAL 73 3HG2 VAL 73 9.915 -15.445 -19.879 552 HG22 VAL 73 1HG2 VAL 73 9.816 -14.705 -21.492 553 HG23 VAL 73 2HG2 VAL 73 9.646 -13.693 -20.040 554 H LEU 74 HN LEU 74 5.515 -13.578 -17.908 555 HA LEU 74 HA LEU 74 3.496 -15.684 -18.356 556 HB2 LEU 74 2HB LEU 74 3.504 -13.215 -16.600 557 HB3 LEU 74 3HB LEU 74 2.189 -14.411 -16.687 558 HG LEU 74 HG LEU 74 5.031 -15.000 -15.810 559 HD11 LEU 74 1HD1 LEU 74 4.096 -15.185 -13.543 560 HD12 LEU 74 2HD1 LEU 74 3.879 -13.549 -14.208 561 HD13 LEU 74 3HD1 LEU 74 2.506 -14.680 -14.162 562 HD21 LEU 74 3HD2 LEU 74 3.880 -16.922 -16.815 563 HD22 LEU 74 1HD2 LEU 74 4.095 -17.154 -15.065 564 HD23 LEU 74 2HD2 LEU 74 2.506 -16.684 -15.710 565 H ASP 75 HN ASP 75 1.770 -15.478 -19.618 566 HA ASP 75 HA ASP 75 1.808 -13.252 -21.510 567 HB2 ASP 75 2HB ASP 75 0.050 -15.722 -21.302 568 HB3 ASP 75 3HB ASP 75 -0.019 -14.538 -22.624 569 HD2 ASP 75 2HD ASP 75 2.692 -15.944 -24.194 570 H VAL 76 HN VAL 76 -0.190 -12.159 -22.167 571 HA VAL 76 HA VAL 76 -1.561 -11.065 -19.876 572 HB VAL 76 HB VAL 76 -2.184 -10.758 -22.838 573 HG11 VAL 76 1HG1 VAL 76 -3.386 -8.715 -22.169 574 HG12 VAL 76 2HG1 VAL 76 -4.091 -10.163 -21.414 575 HG13 VAL 76 3HG1 VAL 76 -3.049 -9.078 -20.461 576 HG21 VAL 76 3HG2 VAL 76 0.087 -10.033 -22.271 577 HG22 VAL 76 1HG2 VAL 76 -0.947 -8.641 -22.667 578 HG23 VAL 76 2HG2 VAL 76 -0.561 -9.005 -20.970 579 H GLY 77 HN GLY 77 -3.317 -11.824 -18.876 580 HA2 GLY 77 1HA GLY 77 -5.611 -12.634 -19.091 581 HA3 GLY 77 2HA GLY 77 -5.067 -13.664 -20.436 582 H GLU 78 HN GLU 78 -2.522 -14.013 -18.593 583 HA GLU 78 HA GLU 78 -3.393 -16.488 -17.409 584 HB2 GLU 78 2HB GLU 78 -0.880 -14.885 -17.534 585 HB3 GLU 78 3HB GLU 78 -1.032 -16.100 -16.241 586 HG2 GLU 78 2HG GLU 78 -1.517 -16.748 -19.143 587 HG3 GLU 78 3HG GLU 78 0.097 -16.820 -18.401 588 HE2 GLU 78 2HE GLU 78 -2.575 -19.524 -17.214 589 H GLU 79 HN GLU 79 -2.922 -17.002 -15.104 590 HA GLU 79 HA GLU 79 -3.642 -14.703 -13.357 591 HB2 GLU 79 2HB GLU 79 -4.594 -17.574 -13.129 592 HB3 GLU 79 3HB GLU 79 -4.892 -16.290 -11.933 593 HG2 GLU 79 2HG GLU 79 -5.976 -15.014 -13.904 594 HG3 GLU 79 3HG GLU 79 -6.008 -16.596 -14.711 595 HE2 GLU 79 2HE GLU 79 -8.493 -17.771 -12.537 596 H VAL 80 HN VAL 80 -2.609 -14.539 -11.425 597 HA VAL 80 HA VAL 80 -0.565 -16.611 -10.844 598 HB VAL 80 HB VAL 80 1.049 -14.844 -10.244 599 HG11 VAL 80 1HG1 VAL 80 1.619 -14.111 -12.519 600 HG12 VAL 80 2HG1 VAL 80 1.120 -15.817 -12.489 601 HG13 VAL 80 3HG1 VAL 80 -0.007 -14.570 -13.073 602 HG21 VAL 80 3HG2 VAL 80 -0.540 -13.064 -9.686 603 HG22 VAL 80 1HG2 VAL 80 0.652 -12.501 -10.882 604 HG23 VAL 80 2HG2 VAL 80 -0.996 -12.925 -11.401 605 H SER 81 HN SER 81 0.472 -16.090 -8.628 606 HA SER 81 HA SER 81 -1.553 -14.922 -6.791 607 HB2 SER 81 2HB SER 81 0.023 -17.487 -6.399 608 HB3 SER 81 3HB SER 81 -0.907 -16.666 -5.121 609 HG SER 81 HG SER 81 -2.111 -18.318 -6.176 610 H VAL 82 HN VAL 82 -0.761 -13.703 -5.127 611 HA VAL 82 HA VAL 82 1.942 -12.706 -5.574 612 HB VAL 82 HB VAL 82 -0.061 -11.900 -3.434 613 HG11 VAL 82 1HG1 VAL 82 1.215 -9.800 -3.358 614 HG12 VAL 82 2HG1 VAL 82 2.238 -11.200 -2.966 615 HG13 VAL 82 3HG1 VAL 82 2.343 -10.443 -4.574 616 HG21 VAL 82 3HG2 VAL 82 -1.036 -11.650 -5.667 617 HG22 VAL 82 1HG2 VAL 82 -0.699 -10.063 -4.938 618 HG23 VAL 82 2HG2 VAL 82 0.385 -10.713 -6.189 619 H LYS 83 HN LYS 83 3.690 -13.458 -4.636 620 HA LYS 83 HA LYS 83 3.467 -15.154 -2.250 621 HB2 LYS 83 2HB LYS 83 5.689 -14.433 -4.172 622 HB3 LYS 83 3HB LYS 83 5.971 -15.372 -2.687 623 HG2 LYS 83 2HG LYS 83 4.010 -16.186 -4.834 624 HG3 LYS 83 3HG LYS 83 5.707 -16.722 -4.785 625 HD2 LYS 83 2HD LYS 83 5.374 -17.698 -2.594 626 HD3 LYS 83 3HD LYS 83 3.708 -17.077 -2.540 627 HE2 LYS 83 2HE LYS 83 3.081 -18.488 -4.411 628 HE3 LYS 83 3HE LYS 83 4.759 -19.045 -4.591 629 HZ1 LYS 83 3HZ LYS 83 3.039 -19.519 -2.248 630 HZ2 LYS 83 1HZ LYS 83 3.419 -20.634 -3.402 631 HZ3 LYS 83 2HZ LYS 83 4.596 -20.036 -2.416 632 H ALA 84 HN ALA 84 5.121 -12.156 -3.322 633 HA ALA 84 HA ALA 84 5.225 -11.306 -0.491 634 HB1 ALA 84 1HB ALA 84 7.603 -10.695 -0.683 635 HB2 ALA 84 2HB ALA 84 7.363 -12.445 -0.904 636 HB3 ALA 84 3HB ALA 84 7.652 -11.400 -2.316 637 H ILE 85 HN ILE 85 5.960 -8.982 -0.314 638 HA ILE 85 HA ILE 85 5.204 -7.457 -2.761 639 HB ILE 85 HB ILE 85 4.401 -6.753 0.091 640 HG12 ILE 85 2HG1 ILE 85 2.730 -7.837 -2.195 641 HG13 ILE 85 3HG1 ILE 85 3.169 -8.706 -0.705 642 HG21 ILE 85 1HG2 ILE 85 3.041 -5.000 -0.976 643 HG22 ILE 85 2HG2 ILE 85 4.769 -4.806 -1.357 644 HG23 ILE 85 3HG2 ILE 85 3.659 -5.491 -2.569 645 HD11 ILE 85 3HD1 ILE 85 1.447 -6.221 -0.871 646 HD12 ILE 85 1HD1 ILE 85 0.856 -7.875 -0.601 647 HD13 ILE 85 2HD1 ILE 85 1.886 -7.093 0.617 648 H GLU 86 HN GLU 86 6.691 -5.977 -3.316 649 HA GLU 86 HA GLU 86 8.415 -4.900 -1.159 650 HB2 GLU 86 2HB GLU 86 10.268 -4.855 -2.865 651 HB3 GLU 86 3HB GLU 86 9.807 -6.460 -2.249 652 HG2 GLU 86 2HG GLU 86 8.638 -6.978 -4.275 653 HG3 GLU 86 3HG GLU 86 8.839 -5.318 -4.877 654 HE2 GLU 86 2HE GLU 86 11.696 -7.884 -5.536 655 H GLY 87 HN GLY 87 7.340 -2.964 -0.994 656 HA2 GLY 87 1HA GLY 87 7.043 -0.748 -1.514 657 HA3 GLY 87 2HA GLY 87 8.132 -0.981 -2.901 658 H VAL 88 HN VAL 88 7.320 -0.871 -4.878 659 HA VAL 88 HA VAL 88 4.362 -0.743 -5.105 660 HB VAL 88 HB VAL 88 4.760 0.468 -7.232 661 HG11 VAL 88 1HG1 VAL 88 5.574 2.566 -6.240 662 HG12 VAL 88 2HG1 VAL 88 4.459 1.716 -5.145 663 HG13 VAL 88 3HG1 VAL 88 6.213 1.659 -4.850 664 HG21 VAL 88 3HG2 VAL 88 6.927 -0.515 -7.825 665 HG22 VAL 88 1HG2 VAL 88 7.017 1.261 -7.810 666 HG23 VAL 88 2HG2 VAL 88 7.691 0.327 -6.455 667 H LYS 89 HN LYS 89 6.728 -2.966 -5.446 668 HA LYS 89 HA LYS 89 5.458 -4.161 -7.862 669 HB2 LYS 89 2HB LYS 89 8.201 -4.757 -6.714 670 HB3 LYS 89 3HB LYS 89 7.499 -5.418 -8.210 671 HG2 LYS 89 2HG LYS 89 7.424 -3.046 -9.081 672 HG3 LYS 89 3HG LYS 89 8.401 -2.586 -7.666 673 HD2 LYS 89 2HD LYS 89 9.142 -4.504 -9.895 674 HD3 LYS 89 3HD LYS 89 9.909 -2.950 -9.491 675 HE2 LYS 89 2HE LYS 89 9.869 -5.376 -7.673 676 HE3 LYS 89 3HE LYS 89 11.211 -4.950 -8.756 677 HZ1 LYS 89 3HZ LYS 89 10.200 -3.291 -6.546 678 HZ2 LYS 89 1HZ LYS 89 11.590 -4.175 -6.524 679 HZ3 LYS 89 2HZ LYS 89 11.446 -2.895 -7.552 680 H LEU 90 HN LEU 90 4.709 -6.240 -7.760 681 HA LEU 90 HA LEU 90 4.792 -7.508 -5.074 682 HB2 LEU 90 2HB LEU 90 2.985 -8.203 -7.400 683 HB3 LEU 90 3HB LEU 90 2.853 -8.752 -5.712 684 HG LEU 90 HG LEU 90 2.370 -5.944 -6.734 685 HD11 LEU 90 1HD1 LEU 90 0.028 -6.400 -6.122 686 HD12 LEU 90 2HD1 LEU 90 0.612 -7.546 -7.351 687 HD13 LEU 90 3HD1 LEU 90 0.474 -8.058 -5.653 688 HD21 LEU 90 3HD2 LEU 90 3.326 -5.946 -4.475 689 HD22 LEU 90 1HD2 LEU 90 1.615 -5.462 -4.443 690 HD23 LEU 90 2HD2 LEU 90 2.083 -7.104 -3.945 691 H VAL 91 HN VAL 91 5.624 -9.516 -4.823 692 HA VAL 91 HA VAL 91 7.037 -10.682 -7.132 693 HB VAL 91 HB VAL 91 6.980 -11.598 -4.232 694 HG11 VAL 91 1HG1 VAL 91 8.980 -12.894 -4.847 695 HG12 VAL 91 2HG1 VAL 91 7.570 -13.372 -5.821 696 HG13 VAL 91 3HG1 VAL 91 8.829 -12.329 -6.526 697 HG21 VAL 91 3HG2 VAL 91 7.936 -9.351 -4.440 698 HG22 VAL 91 1HG2 VAL 91 9.194 -10.543 -4.041 699 HG23 VAL 91 2HG2 VAL 91 9.045 -9.932 -5.705 700 H VAL 92 HN VAL 92 5.815 -11.932 -8.418 701 HA VAL 92 HA VAL 92 3.761 -13.623 -7.083 702 HB VAL 92 HB VAL 92 2.225 -13.222 -8.938 703 HG11 VAL 92 1HG1 VAL 92 1.634 -10.880 -8.495 704 HG12 VAL 92 2HG1 VAL 92 2.081 -11.736 -7.002 705 HG13 VAL 92 3HG1 VAL 92 3.235 -10.616 -7.767 706 HG21 VAL 92 3HG2 VAL 92 3.869 -12.847 -10.709 707 HG22 VAL 92 1HG2 VAL 92 2.677 -11.528 -10.657 708 HG23 VAL 92 2HG2 VAL 92 4.304 -11.282 -9.982 709 H GLU 93 HN GLU 93 2.992 -15.423 -8.468 710 HA GLU 93 HA GLU 93 4.701 -16.111 -10.736 711 HB2 GLU 93 2HB GLU 93 5.159 -18.406 -9.854 712 HB3 GLU 93 3HB GLU 93 6.059 -17.094 -9.055 713 HG2 GLU 93 2HG GLU 93 4.529 -17.180 -7.158 714 HG3 GLU 93 3HG GLU 93 3.587 -18.456 -7.958 715 HE2 GLU 93 2HE GLU 93 7.162 -19.453 -6.498 716 H LYS 94 HN LYS 94 3.933 -18.177 -11.750 717 HA LYS 94 HA LYS 94 1.262 -17.767 -12.486 718 HB2 LYS 94 2HB LYS 94 2.888 -18.873 -13.901 719 HB3 LYS 94 3HB LYS 94 3.004 -20.229 -12.753 720 HG2 LYS 94 2HG LYS 94 0.726 -20.883 -13.229 721 HG3 LYS 94 3HG LYS 94 0.504 -19.463 -14.278 722 HD2 LYS 94 2HD LYS 94 2.074 -20.286 -15.875 723 HD3 LYS 94 3HD LYS 94 2.630 -21.563 -14.766 724 HE2 LYS 94 2HE LYS 94 1.146 -22.415 -16.556 725 HE3 LYS 94 3HE LYS 94 0.498 -22.694 -14.925 726 HZ1 LYS 94 3HZ LYS 94 -0.319 -20.536 -16.746 727 HZ2 LYS 94 1HZ LYS 94 -1.184 -21.902 -16.425 728 HZ3 LYS 94 2HZ LYS 94 -0.920 -20.795 -15.233 729 H LEU 95 HN LEU 95 -0.617 -18.382 -11.798 730 HA LEU 95 HA LEU 95 -0.937 -19.622 -9.238 731 HB2 LEU 95 2HB LEU 95 -2.503 -17.979 -10.032 732 HB3 LEU 95 3HB LEU 95 -2.859 -18.949 -11.483 733 HG LEU 95 HG LEU 95 -3.853 -20.682 -10.001 734 HD11 LEU 95 1HD1 LEU 95 -4.463 -20.067 -7.702 735 HD12 LEU 95 2HD1 LEU 95 -2.699 -20.101 -7.925 736 HD13 LEU 95 3HD1 LEU 95 -3.560 -18.544 -7.874 737 HD21 LEU 95 3HD2 LEU 95 -5.226 -19.034 -11.183 738 HD22 LEU 95 1HD2 LEU 95 -5.938 -19.441 -9.606 739 HD23 LEU 95 2HD2 LEU 95 -5.064 -17.908 -9.816 740 H GLU 96 HN GLU 96 -1.888 -21.605 -8.703 741 HA GLU 96 HA GLU 96 -1.009 -23.804 -10.305 742 HB2 GLU 96 2HB GLU 96 -2.234 -25.169 -8.607 743 HB3 GLU 96 3HB GLU 96 -1.061 -24.019 -7.924 744 HG2 GLU 96 2HG GLU 96 -2.909 -22.474 -7.399 745 HG3 GLU 96 3HG GLU 96 -4.067 -23.661 -8.038 746 HE2 GLU 96 2HE GLU 96 -3.596 -25.740 -5.215 747 H GLU 97 HN GLU 97 -1.898 -24.574 -12.070 748 HA GLU 97 HA GLU 97 -4.784 -24.165 -12.534 749 HB2 GLU 97 2HB GLU 97 -2.556 -25.227 -14.301 750 HB3 GLU 97 3HB GLU 97 -4.260 -25.081 -14.795 751 HG2 GLU 97 2HG GLU 97 -4.080 -22.618 -14.355 752 HG3 GLU 97 3HG GLU 97 -2.334 -22.854 -14.118 753 HE2 GLU 97 2HE GLU 97 -1.840 -23.424 -17.549 754 H GLN 98 HN GLN 98 -6.217 -25.740 -12.125 755 HA GLN 98 HA GLN 98 -5.252 -28.464 -11.644 756 HB2 GLN 98 2HB GLN 98 -8.026 -27.248 -11.593 757 HB3 GLN 98 3HB GLN 98 -7.671 -28.957 -11.250 758 HG2 GLN 98 2HG GLN 98 -6.704 -26.546 -9.699 759 HG3 GLN 98 3HG GLN 98 -7.916 -27.738 -9.180 760 HE21 GLN 98 1HE2 GLN 98 -5.381 -26.955 -7.900 761 HE22 GLN 98 2HE2 GLN 98 -4.437 -28.424 -7.764 762 H LYS 99 HN LYS 99 -4.435 -27.949 -14.029 763 HA LYS 99 HA LYS 99 -6.443 -28.892 -16.002 764 HB2 LYS 99 2HB LYS 99 -4.788 -26.847 -16.227 765 HB3 LYS 99 3HB LYS 99 -3.600 -28.113 -16.619 766 HG2 LYS 99 2HG LYS 99 -6.204 -27.684 -18.102 767 HG3 LYS 99 3HG LYS 99 -4.631 -27.020 -18.603 768 HD2 LYS 99 2HD LYS 99 -5.327 -29.958 -18.319 769 HD3 LYS 99 3HD LYS 99 -5.176 -29.054 -19.846 770 HE2 LYS 99 2HE LYS 99 -2.961 -29.518 -17.824 771 HE3 LYS 99 3HE LYS 99 -3.165 -30.386 -19.362 772 HZ1 LYS 99 3HZ LYS 99 -2.665 -27.499 -19.077 773 HZ2 LYS 99 1HZ LYS 99 -1.554 -28.623 -19.542 774 HZ3 LYS 99 2HZ LYS 99 -2.854 -28.305 -20.503 775 H GLY 100 HN GLY 100 -3.216 -29.580 -14.639 776 HA2 GLY 100 1HA GLY 100 -2.968 -32.073 -14.169 777 HA3 GLY 100 2HA GLY 100 -3.357 -32.276 -15.893 778 H SER 101 HN SER 101 -1.875 -31.550 -17.481 779 HA SER 101 HA SER 101 0.852 -30.994 -16.407 780 HB2 SER 101 2HB SER 101 0.109 -32.588 -18.885 781 HB3 SER 101 3HB SER 101 1.755 -32.269 -18.286 782 HG SER 101 HG SER 101 0.956 -34.329 -17.636 Start of MODEL 18 1 H1 MET 1 HN MET 1 -36.782 -11.486 -25.252 2 HA MET 1 HA MET 1 -35.219 -10.246 -27.273 3 HB2 MET 1 2HB MET 1 -36.910 -11.134 -28.824 4 HB3 MET 1 3HB MET 1 -38.191 -10.314 -27.899 5 HG2 MET 1 2HG MET 1 -37.291 -8.147 -28.493 6 HG3 MET 1 3HG MET 1 -35.908 -8.901 -29.302 7 HE1 MET 1 3HE MET 1 -39.841 -8.482 -29.350 8 HE2 MET 1 1HE MET 1 -40.269 -9.378 -30.825 9 HE3 MET 1 2HE MET 1 -39.611 -10.245 -29.419 10 H GLY 2 HN GLY 2 -34.595 -8.933 -25.618 11 HA2 GLY 2 1HA GLY 2 -36.674 -6.968 -24.767 12 HA3 GLY 2 2HA GLY 2 -35.403 -7.557 -23.671 13 H SER 3 HN SER 3 -33.508 -7.642 -26.019 14 HA SER 3 HA SER 3 -32.590 -4.885 -25.831 15 HB2 SER 3 2HB SER 3 -31.533 -7.157 -27.552 16 HB3 SER 3 3HB SER 3 -30.678 -5.666 -27.086 17 HG SER 3 HG SER 3 -30.083 -7.474 -25.793 18 H SER 4 HN SER 4 -32.393 -3.429 -27.551 19 HA SER 4 HA SER 4 -33.854 -4.170 -30.028 20 HB2 SER 4 2HB SER 4 -35.339 -2.846 -28.502 21 HB3 SER 4 3HB SER 4 -34.149 -1.523 -28.557 22 HG SER 4 HG SER 4 -35.843 -1.259 -30.089 23 H HIS 5 HN HIS 5 -32.013 -4.360 -31.280 24 HA HIS 5 HA HIS 5 -30.014 -2.248 -31.217 25 HB2 HIS 5 2HB HIS 5 -29.167 -3.434 -33.327 26 HB3 HIS 5 3HB HIS 5 -29.055 -4.279 -31.772 27 HD1 HIS 5 1HD HIS 5 -29.819 -6.610 -31.784 28 HD2 HIS 5 2HD HIS 5 -31.583 -4.396 -34.856 29 HE1 HIS 5 1HE HIS 5 -31.163 -8.258 -33.161 30 HE2 HIS 5 2HE HIS 5 -32.229 -6.906 -35.022 31 H HIS 6 HN HIS 6 -31.417 -0.490 -31.485 32 HA HIS 6 HA HIS 6 -32.060 0.094 -34.324 33 HB2 HIS 6 2HB HIS 6 -34.070 -0.828 -33.009 34 HB3 HIS 6 3HB HIS 6 -33.977 0.657 -32.044 35 HD1 HIS 6 1HD HIS 6 -34.634 -0.515 -35.592 36 HD2 HIS 6 2HD HIS 6 -35.172 2.848 -33.176 37 HE1 HIS 6 1HE HIS 6 -36.117 1.066 -36.902 38 HE2 HIS 6 2HE HIS 6 -36.450 3.108 -35.426 39 H HIS 7 HN HIS 7 -29.824 0.972 -33.254 40 HA HIS 7 HA HIS 7 -30.286 3.359 -31.629 41 HB2 HIS 7 2HB HIS 7 -27.853 3.514 -31.482 42 HB3 HIS 7 3HB HIS 7 -28.431 1.898 -31.037 43 HD1 HIS 7 1HD HIS 7 -26.025 3.625 -33.174 44 HD2 HIS 7 2HD HIS 7 -27.969 -0.071 -33.173 45 HE1 HIS 7 1HE HIS 7 -24.711 2.135 -34.748 46 HE2 HIS 7 2HE HIS 7 -25.898 -0.110 -34.743 47 H HIS 8 HN HIS 8 -30.813 5.189 -32.485 48 HA HIS 8 HA HIS 8 -29.514 5.945 -35.056 49 HB2 HIS 8 2HB HIS 8 -31.440 7.480 -35.413 50 HB3 HIS 8 3HB HIS 8 -31.861 5.758 -35.455 51 HD1 HIS 8 1HD HIS 8 -32.487 8.929 -33.572 52 HD2 HIS 8 2HD HIS 8 -33.487 4.879 -33.313 53 HE1 HIS 8 1HE HIS 8 -34.391 8.773 -31.905 54 HE2 HIS 8 2HE HIS 8 -34.996 6.315 -31.755 55 H HIS 9 HN HIS 9 -29.749 6.488 -31.737 56 HA HIS 9 HA HIS 9 -28.787 9.265 -31.909 57 HB2 HIS 9 2HB HIS 9 -29.276 7.348 -29.616 58 HB3 HIS 9 3HB HIS 9 -28.465 8.908 -29.394 59 HD1 HIS 9 1HD HIS 9 -29.974 11.049 -30.283 60 HD2 HIS 9 2HD HIS 9 -31.969 7.501 -29.336 61 HE1 HIS 9 1HE HIS 9 -32.397 11.682 -29.902 62 HE2 HIS 9 2HE HIS 9 -33.605 9.522 -29.329 63 H HIS 10 HN HIS 10 -26.731 9.539 -32.569 64 HA HIS 10 HA HIS 10 -24.755 7.438 -32.138 65 HB2 HIS 10 2HB HIS 10 -24.593 10.213 -33.343 66 HB3 HIS 10 3HB HIS 10 -23.183 9.156 -33.150 67 HD1 HIS 10 1HD HIS 10 -22.749 7.495 -34.961 68 HD2 HIS 10 2HD HIS 10 -26.620 9.061 -35.129 69 HE1 HIS 10 1HE HIS 10 -23.768 6.626 -37.111 70 HE2 HIS 10 2HE HIS 10 -26.120 7.575 -37.208 71 H SER 11 HN SER 11 -24.453 10.937 -31.443 72 HA SER 11 HA SER 11 -23.095 10.169 -28.927 73 HB2 SER 11 2HB SER 11 -22.364 12.603 -28.969 74 HB3 SER 11 3HB SER 11 -21.717 11.562 -30.261 75 HG SER 11 HG SER 11 -22.492 13.582 -31.049 76 H SER 12 HN SER 12 -24.889 9.703 -27.672 77 HA SER 12 HA SER 12 -26.317 12.126 -26.756 78 HB2 SER 12 2HB SER 12 -27.681 9.489 -27.407 79 HB3 SER 12 3HB SER 12 -28.453 10.930 -26.704 80 HG SER 12 HG SER 12 -28.742 10.789 -28.981 81 H GLY 13 HN GLY 13 -24.896 12.074 -24.984 82 HA2 GLY 13 1HA GLY 13 -25.526 9.861 -23.091 83 HA3 GLY 13 2HA GLY 13 -23.929 10.635 -23.195 84 H ARG 14 HN ARG 14 -27.351 11.162 -22.396 85 HA ARG 14 HA ARG 14 -26.729 13.725 -21.146 86 HB2 ARG 14 2HB ARG 14 -29.250 12.065 -21.347 87 HB3 ARG 14 3HB ARG 14 -29.153 13.586 -20.426 88 HG2 ARG 14 2HG ARG 14 -28.542 14.794 -22.462 89 HG3 ARG 14 3HG ARG 14 -28.600 13.276 -23.390 90 HD2 ARG 14 2HD ARG 14 -30.966 14.384 -21.857 91 HD3 ARG 14 3HD ARG 14 -30.647 14.757 -23.565 92 HE ARG 14 HE ARG 14 -30.609 12.057 -23.591 93 HH11 ARG 14 2HH1 ARG 14 -32.836 14.299 -22.034 94 HH12 ARG 14 1HH1 ARG 14 -34.232 13.271 -22.264 95 HH21 ARG 14 2HH2 ARG 14 -32.442 10.745 -23.940 96 HH22 ARG 14 1HH2 ARG 14 -34.008 11.253 -23.347 97 H GLU 15 HN GLU 15 -25.140 13.029 -19.645 98 HA GLU 15 HA GLU 15 -26.097 11.275 -17.468 99 HB2 GLU 15 2HB GLU 15 -23.726 11.390 -16.699 100 HB3 GLU 15 3HB GLU 15 -23.928 10.705 -18.329 101 HG2 GLU 15 2HG GLU 15 -23.278 12.879 -19.297 102 HG3 GLU 15 3HG GLU 15 -23.022 13.515 -17.658 103 HE2 GLU 15 2HE GLU 15 -20.242 11.229 -19.276 104 H ASN 16 HN ASN 16 -26.871 12.068 -15.647 105 HA ASN 16 HA ASN 16 -25.984 14.760 -14.769 106 HB2 ASN 16 2HB ASN 16 -28.100 15.072 -15.998 107 HB3 ASN 16 3HB ASN 16 -28.883 13.864 -14.957 108 HD21 ASN 16 1HD2 ASN 16 -27.481 17.105 -15.110 109 HD22 ASN 16 2HD2 ASN 16 -28.216 17.704 -13.639 110 H LEU 17 HN LEU 17 -24.951 14.233 -12.962 111 HA LEU 17 HA LEU 17 -25.931 12.046 -11.281 112 HB2 LEU 17 2HB LEU 17 -23.888 12.611 -9.922 113 HB3 LEU 17 3HB LEU 17 -23.590 12.099 -11.601 114 HG LEU 17 HG LEU 17 -23.467 14.640 -12.106 115 HD11 LEU 17 1HD1 LEU 17 -22.647 16.014 -10.238 116 HD12 LEU 17 2HD1 LEU 17 -24.296 15.422 -9.936 117 HD13 LEU 17 3HD1 LEU 17 -22.911 14.653 -9.123 118 HD21 LEU 17 3HD2 LEU 17 -21.585 13.074 -12.252 119 HD22 LEU 17 1HD2 LEU 17 -21.061 14.640 -11.589 120 HD23 LEU 17 2HD2 LEU 17 -21.296 13.250 -10.504 121 H TYR 18 HN TYR 18 -26.091 12.340 -8.910 122 HA TYR 18 HA TYR 18 -27.793 14.662 -8.393 123 HB2 TYR 18 2HB TYR 18 -27.167 12.111 -6.925 124 HB3 TYR 18 3HB TYR 18 -27.953 13.460 -6.087 125 HD1 TYR 18 2HD TYR 18 -30.186 14.226 -6.798 126 HD2 TYR 18 1HD TYR 18 -28.384 10.782 -8.546 127 HE1 TYR 18 2HE TYR 18 -32.367 13.535 -7.679 128 HE2 TYR 18 1HE TYR 18 -30.570 10.089 -9.430 129 HH TYR 18 HH TYR 18 -33.526 12.008 -8.878 130 H PHE 19 HN PHE 19 -27.522 16.150 -6.757 131 HA PHE 19 HA PHE 19 -24.695 16.502 -5.885 132 HB2 PHE 19 2HB PHE 19 -25.632 18.251 -7.384 133 HB3 PHE 19 3HB PHE 19 -26.926 18.543 -6.210 134 HD1 PHE 19 2HD PHE 19 -26.446 19.669 -4.088 135 HD2 PHE 19 1HD PHE 19 -23.393 19.057 -6.994 136 HE1 PHE 19 2HE PHE 19 -25.032 21.319 -2.947 137 HE2 PHE 19 1HE PHE 19 -21.978 20.707 -5.854 138 HZ PHE 19 HZ PHE 19 -22.794 21.841 -3.831 139 H GLN 20 HN GLN 20 -24.271 16.341 -3.756 140 HA GLN 20 HA GLN 20 -26.601 16.568 -1.918 141 HB2 GLN 20 2HB GLN 20 -24.299 14.608 -1.867 142 HB3 GLN 20 3HB GLN 20 -25.324 14.929 -0.449 143 HG2 GLN 20 2HG GLN 20 -27.306 14.278 -1.820 144 HG3 GLN 20 3HG GLN 20 -26.192 13.809 -3.122 145 HE21 GLN 20 1HE2 GLN 20 -28.132 12.213 -1.540 146 HE22 GLN 20 2HE2 GLN 20 -27.196 10.914 -0.831 147 H GLY 21 HN GLY 21 -26.403 18.487 -0.950 148 HA2 GLY 21 1HA GLY 21 -23.727 19.377 -0.075 149 HA3 GLY 21 2HA GLY 21 -25.236 20.315 -0.014 150 H HIS 22 HN HIS 22 -25.603 17.116 1.048 151 HA HIS 22 HA HIS 22 -25.769 18.037 3.854 152 HB2 HIS 22 2HB HIS 22 -27.736 16.938 2.897 153 HB3 HIS 22 3HB HIS 22 -26.759 15.521 2.466 154 HD1 HIS 22 1HD HIS 22 -27.610 17.446 5.672 155 HD2 HIS 22 2HD HIS 22 -27.001 13.550 4.297 156 HE1 HIS 22 1HE HIS 22 -28.039 15.923 7.649 157 HE2 HIS 22 2HE HIS 22 -27.664 13.556 6.812 158 H MET 23 HN MET 23 -23.647 18.052 4.530 159 HA MET 23 HA MET 23 -22.058 15.597 4.113 160 HB2 MET 23 2HB MET 23 -20.157 16.871 4.830 161 HB3 MET 23 3HB MET 23 -21.064 17.844 3.647 162 HG2 MET 23 2HG MET 23 -21.218 18.189 6.651 163 HG3 MET 23 3HG MET 23 -20.187 19.146 5.574 164 HE1 MET 23 3HE MET 23 -21.243 21.374 6.525 165 HE2 MET 23 1HE MET 23 -22.991 21.693 6.600 166 HE3 MET 23 2HE MET 23 -22.278 20.416 7.612 167 H ALA 24 HN ALA 24 -20.956 14.576 5.876 168 HA ALA 24 HA ALA 24 -22.056 15.167 8.559 169 HB1 ALA 24 1HB ALA 24 -22.480 12.778 8.970 170 HB2 ALA 24 2HB ALA 24 -23.472 13.392 7.627 171 HB3 ALA 24 3HB ALA 24 -22.026 12.409 7.291 172 H ALA 25 HN ALA 25 -20.249 15.757 9.590 173 HA ALA 25 HA ALA 25 -17.772 14.227 9.076 174 HB1 ALA 25 1HB ALA 25 -16.657 16.037 10.316 175 HB2 ALA 25 2HB ALA 25 -17.640 16.677 8.979 176 HB3 ALA 25 3HB ALA 25 -18.238 16.780 10.652 177 H ARG 26 HN ARG 26 -18.183 12.309 10.153 178 HA ARG 26 HA ARG 26 -17.948 12.546 13.084 179 HB2 ARG 26 2HB ARG 26 -20.348 12.328 12.712 180 HB3 ARG 26 3HB ARG 26 -20.080 10.905 11.677 181 HG2 ARG 26 2HG ARG 26 -19.220 9.652 13.582 182 HG3 ARG 26 3HG ARG 26 -19.409 11.080 14.628 183 HD2 ARG 26 2HD ARG 26 -21.686 9.719 13.156 184 HD3 ARG 26 3HD ARG 26 -21.246 9.390 14.846 185 HE ARG 26 HE ARG 26 -21.570 12.084 14.849 186 HH11 ARG 26 2HH1 ARG 26 -23.579 9.486 13.567 187 HH12 ARG 26 1HH1 ARG 26 -25.079 10.327 13.882 188 HH21 ARG 26 2HH2 ARG 26 -23.521 13.155 15.279 189 HH22 ARG 26 1HH2 ARG 26 -25.046 12.407 14.854 190 H ILE 27 HN ILE 27 -16.257 11.408 13.650 191 HA ILE 27 HA ILE 27 -15.478 9.076 11.982 192 HB ILE 27 HB ILE 27 -13.817 10.612 14.023 193 HG12 ILE 27 2HG1 ILE 27 -13.750 10.765 10.993 194 HG13 ILE 27 3HG1 ILE 27 -14.457 11.996 12.068 195 HG21 ILE 27 1HG2 ILE 27 -11.918 9.419 13.010 196 HG22 ILE 27 2HG2 ILE 27 -13.111 8.285 13.687 197 HG23 ILE 27 3HG2 ILE 27 -13.036 8.557 11.929 198 HD11 ILE 27 3HD1 ILE 27 -11.548 11.156 11.996 199 HD12 ILE 27 1HD1 ILE 27 -12.210 12.656 11.314 200 HD13 ILE 27 2HD1 ILE 27 -12.255 12.387 13.069 201 H THR 28 HN THR 28 -16.600 7.378 12.834 202 HA THR 28 HA THR 28 -16.458 7.029 15.785 203 HB THR 28 HB THR 28 -18.332 5.619 13.848 204 HG1 THR 28 1HG THR 28 -19.867 7.183 14.593 205 HG21 THR 28 3HG2 THR 28 -18.422 6.036 16.856 206 HG22 THR 28 1HG2 THR 28 -19.648 5.185 15.888 207 HG23 THR 28 2HG2 THR 28 -18.005 4.517 16.024 208 H GLY 29 HN GLY 29 -16.343 5.203 12.699 209 HA2 GLY 29 1HA GLY 29 -14.055 3.688 13.674 210 HA3 GLY 29 2HA GLY 29 -15.546 2.732 13.513 211 H GLU 30 HN GLU 30 -14.474 5.466 11.525 212 HA GLU 30 HA GLU 30 -14.288 3.581 9.225 213 HB2 GLU 30 2HB GLU 30 -15.391 6.401 9.105 214 HB3 GLU 30 3HB GLU 30 -15.386 5.175 7.814 215 HG2 GLU 30 2HG GLU 30 -17.473 4.721 8.442 216 HG3 GLU 30 3HG GLU 30 -16.751 3.918 9.853 217 HE2 GLU 30 2HE GLU 30 -18.935 7.079 10.440 218 HA PRO 31 HA PRO 31 -10.392 6.003 9.509 219 HB2 PRO 31 2HB PRO 31 -8.712 3.963 8.773 220 HB3 PRO 31 3HB PRO 31 -9.387 4.111 10.429 221 HG2 PRO 31 2HG PRO 31 -10.369 2.423 8.169 222 HG3 PRO 31 3HG PRO 31 -10.056 1.939 9.868 223 HD2 PRO 31 2HD PRO 31 -12.544 2.535 8.925 224 HD3 PRO 31 3HD PRO 31 -12.040 2.943 10.593 225 H SER 32 HN SER 32 -9.085 6.867 7.884 226 HA SER 32 HA SER 32 -10.193 6.938 5.263 227 HB2 SER 32 2HB SER 32 -7.407 7.706 6.209 228 HB3 SER 32 3HB SER 32 -8.175 8.213 4.685 229 HG SER 32 HG SER 32 -8.366 9.795 6.346 230 H LYS 33 HN LYS 33 -9.736 5.857 3.409 231 HA LYS 33 HA LYS 33 -8.369 3.329 3.691 232 HB2 LYS 33 2HB LYS 33 -8.877 3.129 1.223 233 HB3 LYS 33 3HB LYS 33 -10.270 3.302 2.317 234 HG2 LYS 33 2HG LYS 33 -10.243 5.777 1.734 235 HG3 LYS 33 3HG LYS 33 -9.098 5.356 0.438 236 HD2 LYS 33 2HD LYS 33 -10.736 3.770 -0.492 237 HD3 LYS 33 3HD LYS 33 -11.880 4.198 0.802 238 HE2 LYS 33 2HE LYS 33 -11.783 6.575 -0.016 239 HE3 LYS 33 3HE LYS 33 -10.830 5.997 -1.399 240 HZ1 LYS 33 3HZ LYS 33 -13.549 5.106 -0.702 241 HZ2 LYS 33 1HZ LYS 33 -13.160 6.142 -1.925 242 HZ3 LYS 33 2HZ LYS 33 -12.663 4.571 -1.986 243 H LYS 34 HN LYS 34 -6.291 3.628 4.152 244 HA LYS 34 HA LYS 34 -4.518 4.355 1.934 245 HB2 LYS 34 2HB LYS 34 -5.012 6.494 3.212 246 HB3 LYS 34 3HB LYS 34 -4.254 5.731 4.631 247 HG2 LYS 34 2HG LYS 34 -2.155 5.492 3.321 248 HG3 LYS 34 3HG LYS 34 -2.927 6.377 1.985 249 HD2 LYS 34 2HD LYS 34 -2.561 7.463 4.794 250 HD3 LYS 34 3HD LYS 34 -1.474 7.803 3.426 251 HE2 LYS 34 2HE LYS 34 -3.333 8.826 2.194 252 HE3 LYS 34 3HE LYS 34 -4.434 8.468 3.542 253 HZ1 LYS 34 3HZ LYS 34 -2.080 10.231 3.674 254 HZ2 LYS 34 1HZ LYS 34 -3.650 10.729 3.611 255 HZ3 LYS 34 2HZ LYS 34 -3.101 9.899 4.926 256 H ALA 35 HN ALA 35 -2.158 3.939 2.770 257 HA ALA 35 HA ALA 35 -0.613 2.577 3.727 258 HB1 ALA 35 1HB ALA 35 -1.009 1.549 5.927 259 HB2 ALA 35 2HB ALA 35 -1.518 3.252 5.900 260 HB3 ALA 35 3HB ALA 35 -2.736 1.956 5.804 261 H VAL 36 HN VAL 36 -0.190 1.059 2.280 262 HA VAL 36 HA VAL 36 -2.040 -0.984 1.519 263 HB VAL 36 HB VAL 36 0.986 -1.015 1.238 264 HG11 VAL 36 1HG1 VAL 36 0.555 -2.508 -0.673 265 HG12 VAL 36 2HG1 VAL 36 -0.084 -3.187 0.841 266 HG13 VAL 36 3HG1 VAL 36 -1.189 -2.435 -0.334 267 HG21 VAL 36 3HG2 VAL 36 0.054 1.045 0.299 268 HG22 VAL 36 1HG2 VAL 36 0.638 -0.034 -0.989 269 HG23 VAL 36 2HG2 VAL 36 -1.106 0.093 -0.657 270 H SER 37 HN SER 37 -2.588 -2.755 2.540 271 HA SER 37 HA SER 37 -0.842 -3.686 4.766 272 HB2 SER 37 2HB SER 37 -3.846 -3.972 4.400 273 HB3 SER 37 3HB SER 37 -2.899 -4.549 5.793 274 HG SER 37 HG SER 37 -3.875 -2.498 6.169 275 H ASP 38 HN ASP 38 -1.574 -6.131 5.299 276 HA ASP 38 HA ASP 38 -0.476 -7.583 3.040 277 HB2 ASP 38 2HB ASP 38 -0.343 -9.460 4.528 278 HB3 ASP 38 3HB ASP 38 0.133 -8.008 5.435 279 HD2 ASP 38 2HD ASP 38 -2.885 -8.178 7.329 280 H ARG 39 HN ARG 39 -3.384 -6.459 3.113 281 HA ARG 39 HA ARG 39 -5.113 -8.745 2.955 282 HB2 ARG 39 2HB ARG 39 -5.389 -5.943 1.814 283 HB3 ARG 39 3HB ARG 39 -6.692 -7.155 1.885 284 HG2 ARG 39 2HG ARG 39 -5.252 -6.190 4.353 285 HG3 ARG 39 3HG ARG 39 -6.668 -5.344 3.680 286 HD2 ARG 39 2HD ARG 39 -7.382 -6.840 5.441 287 HD3 ARG 39 3HD ARG 39 -7.976 -7.436 3.877 288 HE ARG 39 HE ARG 39 -6.374 -9.208 3.961 289 HH11 ARG 39 2HH1 ARG 39 -6.512 -7.229 6.871 290 HH12 ARG 39 1HH1 ARG 39 -5.744 -8.435 7.878 291 HH21 ARG 39 2HH2 ARG 39 -5.386 -10.776 5.280 292 HH22 ARG 39 1HH2 ARG 39 -5.106 -10.447 6.975 293 H LEU 40 HN LEU 40 -2.715 -7.525 0.851 294 HA LEU 40 HA LEU 40 -4.045 -8.619 -1.557 295 HB2 LEU 40 2HB LEU 40 -1.403 -7.157 -1.274 296 HB3 LEU 40 3HB LEU 40 -2.262 -7.533 -2.786 297 HG LEU 40 HG LEU 40 -3.173 -5.612 -0.625 298 HD11 LEU 40 1HD1 LEU 40 -2.785 -3.886 -2.336 299 HD12 LEU 40 2HD1 LEU 40 -1.292 -4.777 -1.961 300 HD13 LEU 40 3HD1 LEU 40 -2.190 -5.133 -3.456 301 HD21 LEU 40 3HD2 LEU 40 -5.070 -6.743 -1.697 302 HD22 LEU 40 1HD2 LEU 40 -4.993 -5.033 -2.179 303 HD23 LEU 40 2HD2 LEU 40 -4.436 -6.299 -3.299 304 H ILE 41 HN ILE 41 -2.084 -9.705 0.925 305 HA ILE 41 HA ILE 41 -0.166 -11.167 -0.724 306 HB ILE 41 HB ILE 41 -0.673 -11.217 2.278 307 HG12 ILE 41 2HG1 ILE 41 0.082 -9.040 1.501 308 HG13 ILE 41 3HG1 ILE 41 1.369 -9.857 2.419 309 HG21 ILE 41 1HG2 ILE 41 1.518 -12.322 2.447 310 HG22 ILE 41 2HG2 ILE 41 0.371 -13.294 1.497 311 HG23 ILE 41 3HG2 ILE 41 1.638 -12.353 0.673 312 HD11 ILE 41 3HD1 ILE 41 1.186 -9.660 -0.597 313 HD12 ILE 41 1HD1 ILE 41 2.276 -8.714 0.439 314 HD13 ILE 41 2HD1 ILE 41 2.474 -10.475 0.323 315 H GLY 42 HN GLY 42 -0.436 -13.128 -1.535 316 HA2 GLY 42 1HA GLY 42 -0.970 -15.390 -1.477 317 HA3 GLY 42 2HA GLY 42 -1.919 -15.123 0.002 318 H ARG 43 HN ARG 43 -2.672 -12.878 -2.466 319 HA ARG 43 HA ARG 43 -5.150 -14.422 -2.987 320 HB2 ARG 43 2HB ARG 43 -4.515 -11.475 -3.272 321 HB3 ARG 43 3HB ARG 43 -6.029 -12.225 -3.834 322 HG2 ARG 43 2HG ARG 43 -6.262 -13.076 -1.414 323 HG3 ARG 43 3HG ARG 43 -5.021 -11.863 -1.021 324 HD2 ARG 43 2HD ARG 43 -6.439 -10.104 -2.007 325 HD3 ARG 43 3HD ARG 43 -7.681 -11.319 -2.381 326 HE ARG 43 HE ARG 43 -7.004 -10.207 0.256 327 HH11 ARG 43 2HH1 ARG 43 -8.738 -12.666 -1.581 328 HH12 ARG 43 1HH1 ARG 43 -9.882 -12.995 -0.300 329 HH21 ARG 43 2HH2 ARG 43 -8.513 -10.631 1.907 330 HH22 ARG 43 1HH2 ARG 43 -9.755 -11.842 1.675 331 H LYS 44 HN LYS 44 -6.137 -14.123 -5.148 332 HA LYS 44 HA LYS 44 -4.122 -14.806 -7.159 333 HB2 LYS 44 2HB LYS 44 -6.188 -16.151 -6.776 334 HB3 LYS 44 3HB LYS 44 -7.155 -14.751 -7.299 335 HG2 LYS 44 2HG LYS 44 -5.056 -15.875 -9.120 336 HG3 LYS 44 3HG LYS 44 -6.623 -16.702 -8.954 337 HD2 LYS 44 2HD LYS 44 -6.354 -13.762 -9.634 338 HD3 LYS 44 3HD LYS 44 -6.451 -15.048 -10.861 339 HE2 LYS 44 2HE LYS 44 -8.535 -14.547 -8.714 340 HE3 LYS 44 3HE LYS 44 -8.639 -13.948 -10.383 341 HZ1 LYS 44 3HZ LYS 44 -8.494 -16.779 -9.586 342 HZ2 LYS 44 1HZ LYS 44 -9.850 -15.992 -10.097 343 HZ3 LYS 44 2HZ LYS 44 -8.590 -16.221 -11.136 344 H GLY 45 HN GLY 45 -3.751 -13.716 -9.031 345 HA2 GLY 45 1HA GLY 45 -5.319 -11.255 -9.534 346 HA3 GLY 45 2HA GLY 45 -3.544 -11.170 -9.467 347 H VAL 46 HN VAL 46 -4.744 -10.385 -11.749 348 HA VAL 46 HA VAL 46 -4.142 -12.650 -13.586 349 HB VAL 46 HB VAL 46 -6.554 -12.179 -13.596 350 HG11 VAL 46 1HG1 VAL 46 -7.439 -10.025 -14.368 351 HG12 VAL 46 2HG1 VAL 46 -6.496 -9.849 -12.871 352 HG13 VAL 46 3HG1 VAL 46 -5.786 -9.372 -14.432 353 HG21 VAL 46 3HG2 VAL 46 -5.491 -12.903 -15.670 354 HG22 VAL 46 1HG2 VAL 46 -6.852 -11.807 -16.002 355 HG23 VAL 46 2HG2 VAL 46 -5.182 -11.207 -16.114 356 H VAL 47 HN VAL 47 -2.947 -12.161 -15.425 357 HA VAL 47 HA VAL 47 -1.249 -9.821 -15.086 358 HB VAL 47 HB VAL 47 -1.203 -11.927 -17.277 359 HG11 VAL 47 1HG1 VAL 47 1.132 -11.222 -17.584 360 HG12 VAL 47 2HG1 VAL 47 0.003 -9.873 -17.846 361 HG13 VAL 47 3HG1 VAL 47 0.922 -9.984 -16.325 362 HG21 VAL 47 3HG2 VAL 47 -0.975 -12.959 -15.067 363 HG22 VAL 47 1HG2 VAL 47 0.562 -13.024 -15.961 364 HG23 VAL 47 2HG2 VAL 47 0.339 -11.825 -14.666 365 H MET 48 HN MET 48 -1.687 -7.904 -15.901 366 HA MET 48 HA MET 48 -3.433 -7.722 -18.295 367 HB2 MET 48 2HB MET 48 -2.612 -5.698 -16.189 368 HB3 MET 48 3HB MET 48 -3.594 -5.314 -17.623 369 HG2 MET 48 2HG MET 48 -4.356 -7.348 -15.521 370 HG3 MET 48 3HG MET 48 -4.904 -5.664 -15.530 371 HE1 MET 48 3HE MET 48 -7.439 -6.342 -15.514 372 HE2 MET 48 1HE MET 48 -8.159 -7.536 -16.617 373 HE3 MET 48 2HE MET 48 -6.953 -8.052 -15.417 374 H GLU 49 HN GLU 49 -0.185 -7.222 -17.141 375 HA GLU 49 HA GLU 49 0.544 -6.280 -19.861 376 HB2 GLU 49 2HB GLU 49 0.457 -4.315 -18.343 377 HB3 GLU 49 3HB GLU 49 1.638 -5.114 -17.278 378 HG2 GLU 49 2HG GLU 49 2.672 -3.417 -18.723 379 HG3 GLU 49 3HG GLU 49 3.315 -5.046 -19.024 380 HE2 GLU 49 2HE GLU 49 2.159 -5.045 -22.273 381 H ALA 50 HN ALA 50 2.578 -6.956 -20.569 382 HA ALA 50 HA ALA 50 3.263 -9.559 -19.804 383 HB1 ALA 50 1HB ALA 50 5.230 -9.269 -21.256 384 HB2 ALA 50 2HB ALA 50 3.766 -8.582 -21.998 385 HB3 ALA 50 3HB ALA 50 4.972 -7.509 -21.248 386 H ILE 51 HN ILE 51 4.406 -10.434 -18.245 387 HA ILE 51 HA ILE 51 6.093 -8.646 -16.575 388 HB ILE 51 HB ILE 51 4.884 -11.377 -15.956 389 HG12 ILE 51 2HG1 ILE 51 4.166 -8.618 -14.911 390 HG13 ILE 51 3HG1 ILE 51 3.222 -9.558 -16.091 391 HG21 ILE 51 1HG2 ILE 51 5.663 -10.980 -13.653 392 HG22 ILE 51 2HG2 ILE 51 7.022 -11.017 -14.802 393 HG23 ILE 51 3HG2 ILE 51 6.427 -9.461 -14.175 394 HD11 ILE 51 3HD1 ILE 51 3.797 -10.360 -13.227 395 HD12 ILE 51 1HD1 ILE 51 2.254 -9.726 -13.837 396 HD13 ILE 51 2HD1 ILE 51 2.851 -11.299 -14.407 397 H SER 52 HN SER 52 8.268 -8.926 -16.549 398 HA SER 52 HA SER 52 9.284 -11.584 -17.391 399 HB2 SER 52 2HB SER 52 11.152 -10.385 -18.593 400 HB3 SER 52 3HB SER 52 9.552 -10.243 -19.359 401 HG SER 52 HG SER 52 10.664 -8.233 -19.243 402 HA PRO 53 HA PRO 53 12.162 -11.203 -14.012 403 HB2 PRO 53 2HB PRO 53 14.375 -12.026 -15.852 404 HB3 PRO 53 3HB PRO 53 13.710 -12.838 -14.398 405 HG2 PRO 53 2HG PRO 53 13.302 -13.733 -16.901 406 HG3 PRO 53 3HG PRO 53 12.148 -14.012 -15.556 407 HD2 PRO 53 2HD PRO 53 12.033 -12.115 -17.881 408 HD3 PRO 53 3HD PRO 53 10.707 -12.936 -17.002 409 H GLN 54 HN GLN 54 12.691 -9.705 -17.114 410 HA GLN 54 HA GLN 54 14.888 -8.009 -16.202 411 HB2 GLN 54 2HB GLN 54 13.198 -7.929 -18.725 412 HB3 GLN 54 3HB GLN 54 14.683 -6.991 -18.432 413 HG2 GLN 54 2HG GLN 54 15.960 -9.090 -18.273 414 HG3 GLN 54 3HG GLN 54 14.475 -10.008 -18.606 415 HE21 GLN 54 1HE2 GLN 54 13.564 -9.977 -20.700 416 HE22 GLN 54 2HE2 GLN 54 14.473 -9.416 -22.089 417 H ASN 55 HN ASN 55 11.555 -7.397 -17.422 418 HA ASN 55 HA ASN 55 11.501 -5.006 -15.641 419 HB2 ASN 55 2HB ASN 55 11.705 -4.317 -17.991 420 HB3 ASN 55 3HB ASN 55 10.287 -5.301 -18.413 421 HD21 ASN 55 1HD2 ASN 55 9.096 -3.539 -19.189 422 HD22 ASN 55 2HD2 ASN 55 8.439 -2.316 -18.123 423 H SER 56 HN SER 56 9.827 -4.864 -14.295 424 HA SER 56 HA SER 56 8.052 -7.044 -13.924 425 HB2 SER 56 2HB SER 56 7.604 -4.187 -13.004 426 HB3 SER 56 3HB SER 56 7.030 -5.687 -12.239 427 HG SER 56 HG SER 56 8.885 -4.811 -11.198 428 H GLY 57 HN GLY 57 5.755 -7.120 -14.123 429 HA2 GLY 57 1HA GLY 57 4.761 -5.464 -16.392 430 HA3 GLY 57 2HA GLY 57 4.225 -7.120 -16.029 431 H LEU 58 HN LEU 58 2.038 -6.303 -16.022 432 HA LEU 58 HA LEU 58 1.423 -4.910 -13.461 433 HB2 LEU 58 2HB LEU 58 0.120 -4.567 -16.172 434 HB3 LEU 58 3HB LEU 58 -0.587 -3.977 -14.650 435 HG LEU 58 HG LEU 58 2.041 -3.094 -15.860 436 HD11 LEU 58 1HD1 LEU 58 0.871 -0.960 -16.237 437 HD12 LEU 58 2HD1 LEU 58 0.080 -2.298 -17.103 438 HD13 LEU 58 3HD1 LEU 58 -0.629 -1.671 -15.596 439 HD21 LEU 58 3HD2 LEU 58 2.075 -3.050 -13.409 440 HD22 LEU 58 1HD2 LEU 58 2.041 -1.401 -14.075 441 HD23 LEU 58 2HD2 LEU 58 0.560 -2.116 -13.399 442 H VAL 59 HN VAL 59 0.117 -5.974 -12.152 443 HA VAL 59 HA VAL 59 -1.664 -8.031 -13.351 444 HB VAL 59 HB VAL 59 -1.577 -9.209 -11.147 445 HG11 VAL 59 1HG1 VAL 59 0.631 -10.234 -11.501 446 HG12 VAL 59 2HG1 VAL 59 -0.215 -9.958 -13.042 447 HG13 VAL 59 3HG1 VAL 59 1.099 -8.866 -12.538 448 HG21 VAL 59 3HG2 VAL 59 -0.873 -7.321 -9.747 449 HG22 VAL 59 1HG2 VAL 59 0.244 -8.693 -9.572 450 HG23 VAL 59 2HG2 VAL 59 0.707 -7.293 -10.566 451 H LYS 60 HN LYS 60 -3.778 -8.126 -12.627 452 HA LYS 60 HA LYS 60 -4.678 -5.708 -11.194 453 HB2 LYS 60 2HB LYS 60 -5.809 -6.389 -13.288 454 HB3 LYS 60 3HB LYS 60 -6.271 -7.926 -12.519 455 HG2 LYS 60 2HG LYS 60 -7.525 -6.607 -10.802 456 HG3 LYS 60 3HG LYS 60 -7.174 -5.140 -11.747 457 HD2 LYS 60 2HD LYS 60 -8.309 -6.148 -13.701 458 HD3 LYS 60 3HD LYS 60 -8.695 -7.582 -12.718 459 HE2 LYS 60 2HE LYS 60 -9.921 -6.078 -11.133 460 HE3 LYS 60 3HE LYS 60 -9.648 -4.737 -12.267 461 HZ1 LYS 60 3HZ LYS 60 -11.120 -7.216 -12.867 462 HZ2 LYS 60 1HZ LYS 60 -11.799 -5.742 -12.580 463 HZ3 LYS 60 2HZ LYS 60 -10.867 -5.972 -13.919 464 H VAL 61 HN VAL 61 -4.527 -5.876 -9.044 465 HA VAL 61 HA VAL 61 -5.211 -8.464 -7.784 466 HB VAL 61 HB VAL 61 -4.080 -5.971 -6.465 467 HG11 VAL 61 1HG1 VAL 61 -3.475 -7.519 -4.652 468 HG12 VAL 61 2HG1 VAL 61 -5.230 -7.516 -4.947 469 HG13 VAL 61 3HG1 VAL 61 -4.228 -8.860 -5.547 470 HG21 VAL 61 3HG2 VAL 61 -2.526 -6.799 -8.173 471 HG22 VAL 61 1HG2 VAL 61 -1.893 -7.099 -6.537 472 HG23 VAL 61 2HG2 VAL 61 -2.613 -8.431 -7.470 473 H ASP 62 HN ASP 62 -7.331 -8.673 -7.561 474 HA ASP 62 HA ASP 62 -9.456 -8.335 -6.840 475 HB2 ASP 62 2HB ASP 62 -8.468 -7.659 -4.688 476 HB3 ASP 62 3HB ASP 62 -8.346 -5.984 -5.271 477 HD2 ASP 62 2HD ASP 62 -11.873 -7.330 -4.058 478 H GLY 63 HN GLY 63 -8.335 -4.917 -6.980 479 HA2 GLY 63 1HA GLY 63 -10.037 -4.545 -9.360 480 HA3 GLY 63 2HA GLY 63 -10.449 -3.625 -7.895 481 H GLU 64 HN GLU 64 -7.149 -3.947 -7.803 482 HA GLU 64 HA GLU 64 -6.797 -1.449 -9.388 483 HB2 GLU 64 2HB GLU 64 -5.558 -2.249 -6.744 484 HB3 GLU 64 3HB GLU 64 -4.977 -0.894 -7.742 485 HG2 GLU 64 2HG GLU 64 -7.288 0.083 -7.598 486 HG3 GLU 64 3HG GLU 64 -7.684 -1.188 -6.421 487 HE2 GLU 64 2HE GLU 64 -5.528 1.902 -5.243 488 H THR 65 HN THR 65 -4.713 -1.120 -10.353 489 HA THR 65 HA THR 65 -3.499 -3.720 -11.113 490 HB THR 65 HB THR 65 -3.159 -1.035 -12.498 491 HG1 THR 65 1HG THR 65 -4.829 -1.813 -13.903 492 HG21 THR 65 3HG2 THR 65 -2.812 -3.899 -13.455 493 HG22 THR 65 1HG2 THR 65 -2.569 -2.439 -14.441 494 HG23 THR 65 2HG2 THR 65 -1.499 -2.765 -13.058 495 H TRP 66 HN TRP 66 -1.506 -4.233 -10.470 496 HA TRP 66 HA TRP 66 0.260 -2.039 -9.486 497 HB2 TRP 66 2HB TRP 66 -0.224 -4.777 -8.261 498 HB3 TRP 66 3HB TRP 66 1.101 -3.703 -7.791 499 HD1 TRP 66 1HD TRP 66 -2.783 -3.855 -7.675 500 HE1 TRP 66 1HE TRP 66 -3.618 -2.360 -5.775 501 HE3 TRP 66 3HE TRP 66 1.703 -1.824 -6.312 502 HZ2 TRP 66 2HZ TRP 66 -2.479 -0.552 -3.908 503 HZ3 TRP 66 3HZ TRP 66 1.754 -0.216 -4.446 504 HH2 TRP 66 2HH TRP 66 -0.313 0.411 -3.259 505 H ARG 67 HN ARG 67 2.550 -2.457 -9.640 506 HA ARG 67 HA ARG 67 3.315 -4.023 -11.941 507 HB2 ARG 67 2HB ARG 67 4.784 -2.467 -9.830 508 HB3 ARG 67 3HB ARG 67 5.677 -3.580 -10.894 509 HG2 ARG 67 2HG ARG 67 5.831 -1.385 -11.810 510 HG3 ARG 67 3HG ARG 67 4.752 -2.345 -12.851 511 HD2 ARG 67 2HD ARG 67 2.817 -1.266 -12.003 512 HD3 ARG 67 3HD ARG 67 3.723 -0.536 -10.660 513 HE ARG 67 HE ARG 67 4.066 0.220 -13.529 514 HH11 ARG 67 2HH1 ARG 67 3.963 1.005 -10.096 515 HH12 ARG 67 1HH1 ARG 67 4.319 2.700 -10.340 516 HH21 ARG 67 2HH2 ARG 67 4.565 2.440 -13.831 517 HH22 ARG 67 1HH2 ARG 67 4.660 3.511 -12.452 518 H ALA 68 HN ALA 68 4.389 -5.979 -12.041 519 HA ALA 68 HA ALA 68 4.954 -7.356 -9.495 520 HB1 ALA 68 1HB ALA 68 3.730 -9.372 -10.199 521 HB2 ALA 68 2HB ALA 68 2.641 -7.975 -10.035 522 HB3 ALA 68 3HB ALA 68 3.159 -8.517 -11.650 523 H THR 69 HN THR 69 6.598 -8.807 -9.595 524 HA THR 69 HA THR 69 7.767 -9.304 -12.293 525 HB THR 69 HB THR 69 9.404 -9.435 -9.761 526 HG1 THR 69 1HG THR 69 9.939 -7.209 -10.104 527 HG21 THR 69 3HG2 THR 69 10.053 -8.678 -12.633 528 HG22 THR 69 1HG2 THR 69 11.230 -8.820 -11.308 529 HG23 THR 69 2HG2 THR 69 10.356 -10.261 -11.876 530 H SER 70 HN SER 70 9.027 -11.392 -12.363 531 HA SER 70 HA SER 70 8.447 -13.401 -10.358 532 HB2 SER 70 2HB SER 70 6.276 -13.194 -11.687 533 HB3 SER 70 3HB SER 70 7.183 -13.805 -13.090 534 HG SER 70 HG SER 70 6.114 -15.476 -11.925 535 H GLY 71 HN GLY 71 9.075 -15.672 -11.438 536 HA2 GLY 71 1HA GLY 71 11.733 -15.183 -12.592 537 HA3 GLY 71 2HA GLY 71 11.109 -16.718 -11.948 538 H THR 72 HN THR 72 8.622 -15.770 -13.742 539 HA THR 72 HA THR 72 9.735 -16.953 -16.236 540 HB THR 72 HB THR 72 7.188 -17.609 -16.528 541 HG1 THR 72 1HG THR 72 6.273 -18.120 -14.470 542 HG21 THR 72 3HG2 THR 72 9.040 -19.097 -14.636 543 HG22 THR 72 1HG2 THR 72 7.651 -19.799 -15.497 544 HG23 THR 72 2HG2 THR 72 9.054 -19.203 -16.413 545 H VAL 73 HN VAL 73 8.466 -16.362 -18.219 546 HA VAL 73 HA VAL 73 7.834 -13.485 -18.089 547 HB VAL 73 HB VAL 73 7.994 -15.258 -20.550 548 HG11 VAL 73 1HG1 VAL 73 8.323 -13.129 -21.739 549 HG12 VAL 73 2HG1 VAL 73 6.779 -13.150 -20.856 550 HG13 VAL 73 3HG1 VAL 73 8.168 -12.248 -20.202 551 HG21 VAL 73 3HG2 VAL 73 10.127 -15.327 -19.342 552 HG22 VAL 73 1HG2 VAL 73 10.281 -14.402 -20.854 553 HG23 VAL 73 2HG2 VAL 73 10.167 -13.547 -19.299 554 H LEU 74 HN LEU 74 5.825 -13.279 -17.261 555 HA LEU 74 HA LEU 74 3.708 -15.136 -18.071 556 HB2 LEU 74 2HB LEU 74 3.663 -12.759 -16.190 557 HB3 LEU 74 3HB LEU 74 2.380 -13.977 -16.382 558 HG LEU 74 HG LEU 74 5.183 -14.541 -15.378 559 HD11 LEU 74 1HD1 LEU 74 4.124 -14.798 -13.172 560 HD12 LEU 74 2HD1 LEU 74 3.916 -13.148 -13.805 561 HD13 LEU 74 3HD1 LEU 74 2.562 -14.303 -13.865 562 HD21 LEU 74 3HD2 LEU 74 4.118 -16.447 -16.498 563 HD22 LEU 74 1HD2 LEU 74 4.244 -16.726 -14.747 564 HD23 LEU 74 2HD2 LEU 74 2.683 -16.261 -15.462 565 H ASP 75 HN ASP 75 2.171 -14.765 -19.511 566 HA ASP 75 HA ASP 75 2.208 -12.155 -20.893 567 HB2 ASP 75 2HB ASP 75 1.053 -14.866 -21.595 568 HB3 ASP 75 3HB ASP 75 0.684 -13.397 -22.523 569 HD2 ASP 75 2HD ASP 75 4.074 -15.225 -23.172 570 H VAL 76 HN VAL 76 0.137 -11.297 -21.660 571 HA VAL 76 HA VAL 76 -1.598 -10.748 -19.490 572 HB VAL 76 HB VAL 76 -2.137 -10.402 -22.464 573 HG11 VAL 76 1HG1 VAL 76 -3.670 -8.615 -21.759 574 HG12 VAL 76 2HG1 VAL 76 -4.147 -10.190 -21.084 575 HG13 VAL 76 3HG1 VAL 76 -3.324 -8.992 -20.055 576 HG21 VAL 76 3HG2 VAL 76 -0.027 -9.350 -21.803 577 HG22 VAL 76 1HG2 VAL 76 -1.260 -8.123 -22.178 578 HG23 VAL 76 2HG2 VAL 76 -0.860 -8.492 -20.485 579 H GLY 77 HN GLY 77 -3.374 -11.720 -18.725 580 HA2 GLY 77 1HA GLY 77 -5.467 -12.843 -19.162 581 HA3 GLY 77 2HA GLY 77 -4.675 -13.734 -20.481 582 H GLU 78 HN GLU 78 -2.315 -13.871 -18.322 583 HA GLU 78 HA GLU 78 -3.100 -16.500 -17.394 584 HB2 GLU 78 2HB GLU 78 -0.687 -14.738 -17.148 585 HB3 GLU 78 3HB GLU 78 -0.856 -16.167 -16.101 586 HG2 GLU 78 2HG GLU 78 -0.860 -16.134 -19.122 587 HG3 GLU 78 3HG GLU 78 0.463 -16.682 -18.069 588 HE2 GLU 78 2HE GLU 78 -1.458 -19.570 -17.181 589 H GLU 79 HN GLU 79 -2.825 -17.163 -15.177 590 HA GLU 79 HA GLU 79 -4.035 -15.195 -13.293 591 HB2 GLU 79 2HB GLU 79 -3.961 -18.235 -13.258 592 HB3 GLU 79 3HB GLU 79 -4.717 -17.206 -12.018 593 HG2 GLU 79 2HG GLU 79 -5.573 -17.017 -14.889 594 HG3 GLU 79 3HG GLU 79 -6.184 -18.320 -13.845 595 HE2 GLU 79 2HE GLU 79 -7.648 -14.698 -13.400 596 H VAL 80 HN VAL 80 -2.915 -14.654 -11.448 597 HA VAL 80 HA VAL 80 -0.511 -16.296 -10.852 598 HB VAL 80 HB VAL 80 0.783 -14.285 -10.304 599 HG11 VAL 80 1HG1 VAL 80 1.157 -13.451 -12.583 600 HG12 VAL 80 2HG1 VAL 80 0.955 -15.218 -12.559 601 HG13 VAL 80 3HG1 VAL 80 -0.383 -14.176 -13.100 602 HG21 VAL 80 3HG2 VAL 80 -1.065 -12.810 -9.668 603 HG22 VAL 80 1HG2 VAL 80 -0.025 -12.040 -10.889 604 HG23 VAL 80 2HG2 VAL 80 -1.594 -12.730 -11.366 605 H SER 81 HN SER 81 0.323 -16.009 -8.666 606 HA SER 81 HA SER 81 -1.751 -15.019 -6.760 607 HB2 SER 81 2HB SER 81 -1.564 -17.522 -6.783 608 HB3 SER 81 3HB SER 81 0.145 -17.357 -6.315 609 HG SER 81 HG SER 81 -1.244 -17.684 -4.511 610 H VAL 82 HN VAL 82 -1.037 -13.603 -5.249 611 HA VAL 82 HA VAL 82 1.635 -12.528 -5.667 612 HB VAL 82 HB VAL 82 -0.476 -11.703 -3.640 613 HG11 VAL 82 1HG1 VAL 82 0.722 -9.554 -3.591 614 HG12 VAL 82 2HG1 VAL 82 1.773 -10.898 -3.091 615 HG13 VAL 82 3HG1 VAL 82 1.931 -10.204 -4.722 616 HG21 VAL 82 3HG2 VAL 82 -1.346 -11.577 -5.927 617 HG22 VAL 82 1HG2 VAL 82 -1.099 -9.951 -5.249 618 HG23 VAL 82 2HG2 VAL 82 0.068 -10.612 -6.417 619 H LYS 83 HN LYS 83 3.372 -13.326 -4.722 620 HA LYS 83 HA LYS 83 3.209 -14.934 -2.319 621 HB2 LYS 83 2HB LYS 83 5.492 -13.821 -3.968 622 HB3 LYS 83 3HB LYS 83 5.729 -14.821 -2.514 623 HG2 LYS 83 2HG LYS 83 4.258 -15.673 -5.011 624 HG3 LYS 83 3HG LYS 83 5.930 -16.111 -4.587 625 HD2 LYS 83 2HD LYS 83 5.097 -17.125 -2.495 626 HD3 LYS 83 3HD LYS 83 3.433 -16.757 -3.009 627 HE2 LYS 83 2HE LYS 83 3.824 -18.129 -5.056 628 HE3 LYS 83 3HE LYS 83 5.416 -18.577 -4.406 629 HZ1 LYS 83 3HZ LYS 83 2.824 -19.131 -3.124 630 HZ2 LYS 83 1HZ LYS 83 3.759 -20.232 -3.918 631 HZ3 LYS 83 2HZ LYS 83 4.303 -19.547 -2.521 632 H ALA 84 HN ALA 84 4.656 -11.768 -3.188 633 HA ALA 84 HA ALA 84 4.188 -10.719 -0.527 634 HB1 ALA 84 1HB ALA 84 6.558 -10.407 0.072 635 HB2 ALA 84 2HB ALA 84 6.149 -12.132 -0.072 636 HB3 ALA 84 3HB ALA 84 7.045 -11.317 -1.377 637 H ILE 85 HN ILE 85 5.469 -8.559 -0.298 638 HA ILE 85 HA ILE 85 5.127 -7.148 -2.892 639 HB ILE 85 HB ILE 85 5.155 -6.039 -0.054 640 HG12 ILE 85 2HG1 ILE 85 2.829 -6.505 -1.948 641 HG13 ILE 85 3HG1 ILE 85 3.199 -7.466 -0.497 642 HG21 ILE 85 1HG2 ILE 85 4.327 -3.957 -1.083 643 HG22 ILE 85 2HG2 ILE 85 5.919 -4.412 -1.730 644 HG23 ILE 85 3HG2 ILE 85 4.450 -4.705 -2.691 645 HD11 ILE 85 3HD1 ILE 85 2.463 -4.529 -0.546 646 HD12 ILE 85 1HD1 ILE 85 1.388 -5.859 -0.064 647 HD13 ILE 85 2HD1 ILE 85 2.830 -5.492 0.905 648 H GLU 86 HN GLU 86 6.774 -5.989 -3.779 649 HA GLU 86 HA GLU 86 9.316 -5.868 -2.223 650 HB2 GLU 86 2HB GLU 86 9.443 -7.502 -4.065 651 HB3 GLU 86 3HB GLU 86 8.971 -6.231 -5.217 652 HG2 GLU 86 2HG GLU 86 11.341 -6.544 -5.354 653 HG3 GLU 86 3HG GLU 86 11.020 -4.972 -4.591 654 HE2 GLU 86 2HE GLU 86 12.306 -6.109 -1.512 655 H GLY 87 HN GLY 87 8.522 -3.784 -1.457 656 HA2 GLY 87 1HA GLY 87 8.620 -1.493 -1.537 657 HA3 GLY 87 2HA GLY 87 9.537 -1.643 -3.053 658 H VAL 88 HN VAL 88 8.607 -1.136 -4.911 659 HA VAL 88 HA VAL 88 5.749 -0.346 -4.818 660 HB VAL 88 HB VAL 88 7.505 1.326 -5.508 661 HG11 VAL 88 1HG1 VAL 88 8.490 1.163 -7.751 662 HG12 VAL 88 2HG1 VAL 88 8.999 -0.185 -6.710 663 HG13 VAL 88 3HG1 VAL 88 7.753 -0.443 -7.955 664 HG21 VAL 88 3HG2 VAL 88 5.163 1.601 -6.146 665 HG22 VAL 88 1HG2 VAL 88 6.242 2.209 -7.421 666 HG23 VAL 88 2HG2 VAL 88 5.440 0.635 -7.614 667 H LYS 89 HN LYS 89 7.656 -2.922 -5.649 668 HA LYS 89 HA LYS 89 5.920 -3.725 -7.935 669 HB2 LYS 89 2HB LYS 89 8.610 -4.816 -7.025 670 HB3 LYS 89 3HB LYS 89 7.680 -5.375 -8.436 671 HG2 LYS 89 2HG LYS 89 8.036 -3.317 -9.590 672 HG3 LYS 89 3HG LYS 89 8.710 -2.545 -8.134 673 HD2 LYS 89 2HD LYS 89 10.594 -4.130 -8.169 674 HD3 LYS 89 3HD LYS 89 9.921 -4.896 -9.629 675 HE2 LYS 89 2HE LYS 89 10.725 -1.979 -9.459 676 HE3 LYS 89 3HE LYS 89 11.793 -3.271 -10.048 677 HZ1 LYS 89 3HZ LYS 89 9.195 -2.530 -11.217 678 HZ2 LYS 89 1HZ LYS 89 10.673 -2.157 -11.845 679 HZ3 LYS 89 2HZ LYS 89 10.187 -3.730 -11.763 680 H LEU 90 HN LEU 90 5.387 -6.092 -7.992 681 HA LEU 90 HA LEU 90 5.153 -7.215 -5.237 682 HB2 LEU 90 2HB LEU 90 3.309 -7.643 -7.608 683 HB3 LEU 90 3HB LEU 90 3.161 -8.420 -6.015 684 HG LEU 90 HG LEU 90 2.850 -5.469 -6.608 685 HD11 LEU 90 1HD1 LEU 90 0.489 -5.854 -6.035 686 HD12 LEU 90 2HD1 LEU 90 0.991 -6.838 -7.430 687 HD13 LEU 90 3HD1 LEU 90 0.826 -7.588 -5.824 688 HD21 LEU 90 3HD2 LEU 90 3.816 -5.868 -4.388 689 HD22 LEU 90 1HD2 LEU 90 2.140 -5.284 -4.259 690 HD23 LEU 90 2HD2 LEU 90 2.501 -7.008 -4.016 691 H VAL 91 HN VAL 91 5.497 -9.450 -5.011 692 HA VAL 91 HA VAL 91 6.909 -10.692 -7.319 693 HB VAL 91 HB VAL 91 6.966 -11.505 -4.385 694 HG11 VAL 91 1HG1 VAL 91 8.848 -12.946 -5.045 695 HG12 VAL 91 2HG1 VAL 91 7.362 -13.372 -5.925 696 HG13 VAL 91 3HG1 VAL 91 8.642 -12.437 -6.737 697 HG21 VAL 91 3HG2 VAL 91 8.045 -9.332 -4.724 698 HG22 VAL 91 1HG2 VAL 91 9.246 -10.587 -4.345 699 HG23 VAL 91 2HG2 VAL 91 9.048 -10.026 -6.021 700 H VAL 92 HN VAL 92 5.649 -12.024 -8.480 701 HA VAL 92 HA VAL 92 3.510 -13.461 -6.993 702 HB VAL 92 HB VAL 92 2.161 -13.407 -9.077 703 HG11 VAL 92 1HG1 VAL 92 1.505 -11.039 -8.958 704 HG12 VAL 92 2HG1 VAL 92 1.795 -11.716 -7.340 705 HG13 VAL 92 3HG1 VAL 92 3.015 -10.664 -8.096 706 HG21 VAL 92 3HG2 VAL 92 3.992 -13.188 -10.690 707 HG22 VAL 92 1HG2 VAL 92 2.788 -11.898 -10.914 708 HG23 VAL 92 2HG2 VAL 92 4.328 -11.544 -10.096 709 H GLU 93 HN GLU 93 2.755 -15.469 -7.991 710 HA GLU 93 HA GLU 93 4.976 -16.886 -9.391 711 HB2 GLU 93 2HB GLU 93 3.981 -18.956 -8.557 712 HB3 GLU 93 3HB GLU 93 4.349 -17.857 -7.207 713 HG2 GLU 93 2HG GLU 93 2.050 -17.271 -6.948 714 HG3 GLU 93 3HG GLU 93 1.605 -18.090 -8.461 715 HE2 GLU 93 2HE GLU 93 1.739 -20.185 -5.158 716 H LYS 94 HN LYS 94 4.005 -18.774 -10.772 717 HA LYS 94 HA LYS 94 1.779 -17.640 -12.351 718 HB2 LYS 94 2HB LYS 94 3.830 -18.605 -13.457 719 HB3 LYS 94 3HB LYS 94 3.326 -20.197 -12.839 720 HG2 LYS 94 2HG LYS 94 1.178 -19.931 -14.081 721 HG3 LYS 94 3HG LYS 94 1.824 -18.432 -14.789 722 HD2 LYS 94 2HD LYS 94 3.742 -19.749 -15.691 723 HD3 LYS 94 3HD LYS 94 2.962 -21.228 -15.085 724 HE2 LYS 94 2HE LYS 94 1.866 -19.306 -17.160 725 HE3 LYS 94 3HE LYS 94 2.475 -20.951 -17.445 726 HZ1 LYS 94 3HZ LYS 94 0.110 -20.256 -15.837 727 HZ2 LYS 94 1HZ LYS 94 0.084 -20.893 -17.356 728 HZ3 LYS 94 2HZ LYS 94 0.676 -21.783 -16.102 729 H LEU 95 HN LEU 95 -0.232 -18.250 -11.978 730 HA LEU 95 HA LEU 95 -0.648 -20.360 -9.990 731 HB2 LEU 95 2HB LEU 95 -1.831 -18.195 -9.856 732 HB3 LEU 95 3HB LEU 95 -2.643 -18.574 -11.394 733 HG LEU 95 HG LEU 95 -3.681 -20.540 -10.324 734 HD11 LEU 95 1HD1 LEU 95 -3.620 -20.768 -7.876 735 HD12 LEU 95 2HD1 LEU 95 -2.001 -20.945 -8.588 736 HD13 LEU 95 3HD1 LEU 95 -2.459 -19.426 -7.783 737 HD21 LEU 95 3HD2 LEU 95 -4.872 -18.406 -10.456 738 HD22 LEU 95 1HD2 LEU 95 -5.301 -19.283 -8.969 739 HD23 LEU 95 2HD2 LEU 95 -4.172 -17.911 -8.895 740 H GLU 96 HN GLU 96 -1.477 -22.305 -10.339 741 HA GLU 96 HA GLU 96 -2.513 -22.974 -13.029 742 HB2 GLU 96 2HB GLU 96 0.116 -23.369 -12.557 743 HB3 GLU 96 3HB GLU 96 -0.535 -24.873 -11.864 744 HG2 GLU 96 2HG GLU 96 0.007 -25.384 -14.094 745 HG3 GLU 96 3HG GLU 96 -1.760 -25.195 -14.062 746 HE2 GLU 96 2HE GLU 96 0.398 -22.553 -16.088 747 H GLU 97 HN GLU 97 -3.383 -22.719 -10.128 748 HA GLU 97 HA GLU 97 -4.841 -23.771 -8.708 749 HB2 GLU 97 2HB GLU 97 -6.017 -24.294 -10.832 750 HB3 GLU 97 3HB GLU 97 -5.102 -25.818 -10.936 751 HG2 GLU 97 2HG GLU 97 -6.343 -25.752 -8.387 752 HG3 GLU 97 3HG GLU 97 -7.564 -25.268 -9.584 753 HE2 GLU 97 2HE GLU 97 -7.414 -28.435 -11.137 754 H GLN 98 HN GLN 98 -1.864 -24.633 -9.166 755 HA GLN 98 HA GLN 98 -1.636 -27.373 -8.496 756 HB2 GLN 98 2HB GLN 98 0.196 -26.043 -9.426 757 HB3 GLN 98 3HB GLN 98 0.268 -25.081 -7.930 758 HG2 GLN 98 2HG GLN 98 1.032 -26.958 -6.665 759 HG3 GLN 98 3HG GLN 98 0.720 -28.071 -8.015 760 HE21 GLN 98 1HE2 GLN 98 3.214 -27.570 -6.515 761 HE22 GLN 98 2HE2 GLN 98 4.396 -27.083 -7.714 762 H LYS 99 HN LYS 99 -1.963 -28.472 -6.727 763 HA LYS 99 HA LYS 99 -2.075 -27.000 -4.132 764 HB2 LYS 99 2HB LYS 99 -3.717 -28.732 -3.423 765 HB3 LYS 99 3HB LYS 99 -4.301 -27.706 -4.755 766 HG2 LYS 99 2HG LYS 99 -3.681 -29.524 -6.348 767 HG3 LYS 99 3HG LYS 99 -3.267 -30.549 -4.953 768 HD2 LYS 99 2HD LYS 99 -5.556 -30.397 -4.127 769 HD3 LYS 99 3HD LYS 99 -5.984 -29.295 -5.456 770 HE2 LYS 99 2HE LYS 99 -6.766 -31.514 -5.993 771 HE3 LYS 99 3HE LYS 99 -5.421 -31.095 -7.076 772 HZ1 LYS 99 3HZ LYS 99 -5.227 -32.802 -4.685 773 HZ2 LYS 99 1HZ LYS 99 -5.228 -33.334 -6.244 774 HZ3 LYS 99 2HZ LYS 99 -3.978 -32.413 -5.690 775 H GLY 100 HN GLY 100 0.229 -28.168 -5.458 776 HA2 GLY 100 1HA GLY 100 2.044 -29.385 -4.538 777 HA3 GLY 100 2HA GLY 100 0.913 -30.269 -3.489 778 H SER 101 HN SER 101 -0.548 -31.801 -4.501 779 HA SER 101 HA SER 101 0.165 -32.597 -7.260 780 HB2 SER 101 2HB SER 101 -0.127 -34.546 -4.943 781 HB3 SER 101 3HB SER 101 0.163 -34.963 -6.649 782 HG SER 101 HG SER 101 2.094 -34.950 -5.395 Start of MODEL 19 1 H1 MET 1 HN MET 1 50.188 -6.066 36.353 2 HA MET 1 HA MET 1 50.587 -6.528 39.129 3 HB2 MET 1 2HB MET 1 53.104 -5.691 37.645 4 HB3 MET 1 3HB MET 1 52.899 -5.733 39.413 5 HG2 MET 1 2HG MET 1 52.842 -8.101 37.529 6 HG3 MET 1 3HG MET 1 54.147 -7.668 38.646 7 HE1 MET 1 3HE MET 1 54.083 -10.155 39.601 8 HE2 MET 1 1HE MET 1 52.612 -10.938 40.223 9 HE3 MET 1 2HE MET 1 52.748 -10.552 38.492 10 H GLY 2 HN GLY 2 50.712 -4.558 40.347 11 HA2 GLY 2 1HA GLY 2 50.727 -2.244 40.610 12 HA3 GLY 2 2HA GLY 2 50.864 -2.050 38.848 13 H SER 3 HN SER 3 49.264 -0.336 40.087 14 HA SER 3 HA SER 3 46.696 -0.872 38.895 15 HB2 SER 3 2HB SER 3 46.494 -2.173 41.033 16 HB3 SER 3 3HB SER 3 46.780 -0.663 41.931 17 HG SER 3 HG SER 3 44.542 -1.143 41.686 18 H SER 4 HN SER 4 45.233 1.022 39.183 19 HA SER 4 HA SER 4 46.592 3.432 40.226 20 HB2 SER 4 2HB SER 4 47.075 3.273 37.774 21 HB3 SER 4 3HB SER 4 45.323 3.308 37.467 22 HG SER 4 HG SER 4 46.295 5.387 37.309 23 H HIS 5 HN HIS 5 45.213 3.847 41.849 24 HA HIS 5 HA HIS 5 42.310 3.655 41.360 25 HB2 HIS 5 2HB HIS 5 43.952 4.200 43.849 26 HB3 HIS 5 3HB HIS 5 42.182 4.292 43.808 27 HD1 HIS 5 1HD HIS 5 40.994 2.209 44.404 28 HD2 HIS 5 2HD HIS 5 44.877 1.459 43.046 29 HE1 HIS 5 1HE HIS 5 41.372 -0.282 44.684 30 HE2 HIS 5 2HE HIS 5 43.730 -0.733 43.857 31 H HIS 6 HN HIS 6 42.144 5.376 39.848 32 HA HIS 6 HA HIS 6 42.864 8.058 40.902 33 HB2 HIS 6 2HB HIS 6 43.813 7.244 38.707 34 HB3 HIS 6 3HB HIS 6 42.162 7.269 38.059 35 HD1 HIS 6 1HD HIS 6 41.226 9.489 37.300 36 HD2 HIS 6 2HD HIS 6 44.855 9.852 39.339 37 HE1 HIS 6 1HE HIS 6 41.967 11.896 37.003 38 HE2 HIS 6 2HE HIS 6 44.171 12.104 38.241 39 H HIS 7 HN HIS 7 41.359 9.423 41.511 40 HA HIS 7 HA HIS 7 38.635 9.164 40.361 41 HB2 HIS 7 2HB HIS 7 37.766 9.821 42.666 42 HB3 HIS 7 3HB HIS 7 38.325 8.151 42.459 43 HD1 HIS 7 1HD HIS 7 40.144 7.328 43.968 44 HD2 HIS 7 2HD HIS 7 39.602 11.466 44.213 45 HE1 HIS 7 1HE HIS 7 41.536 8.109 45.937 46 HE2 HIS 7 2HE HIS 7 41.213 10.620 46.069 47 H HIS 8 HN HIS 8 37.657 11.315 42.079 48 HA HIS 8 HA HIS 8 37.535 13.586 42.186 49 HB2 HIS 8 2HB HIS 8 39.891 13.573 42.909 50 HB3 HIS 8 3HB HIS 8 40.413 13.601 41.215 51 HD1 HIS 8 1HD HIS 8 39.317 15.783 44.002 52 HD2 HIS 8 2HD HIS 8 39.885 16.109 39.875 53 HE1 HIS 8 1HE HIS 8 39.354 18.263 43.485 54 HE2 HIS 8 2HE HIS 8 39.692 18.454 40.978 55 H HIS 9 HN HIS 9 35.975 13.212 40.492 56 HA HIS 9 HA HIS 9 36.591 15.003 38.253 57 HB2 HIS 9 2HB HIS 9 35.919 12.095 37.902 58 HB3 HIS 9 3HB HIS 9 35.292 13.281 36.742 59 HD1 HIS 9 1HD HIS 9 38.271 11.288 37.538 60 HD2 HIS 9 2HD HIS 9 37.425 14.786 35.414 61 HE1 HIS 9 1HE HIS 9 40.277 11.718 36.049 62 HE2 HIS 9 2HE HIS 9 39.757 13.839 34.758 63 H HIS 10 HN HIS 10 34.915 16.364 37.982 64 HA HIS 10 HA HIS 10 32.284 15.472 39.057 65 HB2 HIS 10 2HB HIS 10 33.689 17.033 40.573 66 HB3 HIS 10 3HB HIS 10 33.318 18.291 39.379 67 HD1 HIS 10 1HD HIS 10 32.088 16.846 42.430 68 HD2 HIS 10 2HD HIS 10 30.332 18.525 39.029 69 HE1 HIS 10 1HE HIS 10 29.715 17.455 43.084 70 HE2 HIS 10 2HE HIS 10 28.660 18.475 41.016 71 H SER 11 HN SER 11 31.533 15.066 36.984 72 HA SER 11 HA SER 11 30.539 15.542 34.993 73 HB2 SER 11 2HB SER 11 29.149 17.022 36.385 74 HB3 SER 11 3HB SER 11 30.316 18.345 36.147 75 HG SER 11 HG SER 11 28.537 18.459 34.697 76 H SER 12 HN SER 12 32.954 15.173 34.435 77 HA SER 12 HA SER 12 34.331 17.548 33.445 78 HB2 SER 12 2HB SER 12 35.012 14.609 33.068 79 HB3 SER 12 3HB SER 12 36.099 16.001 32.849 80 HG SER 12 HG SER 12 36.364 14.979 34.894 81 H GLY 13 HN GLY 13 33.463 18.501 31.699 82 HA2 GLY 13 1HA GLY 13 32.889 16.712 29.382 83 HA3 GLY 13 2HA GLY 13 31.930 18.161 29.757 84 H ARG 14 HN ARG 14 34.490 16.921 27.953 85 HA ARG 14 HA ARG 14 35.566 19.664 27.514 86 HB2 ARG 14 2HB ARG 14 36.809 16.936 27.071 87 HB3 ARG 14 3HB ARG 14 37.521 18.461 26.489 88 HG2 ARG 14 2HG ARG 14 36.921 17.854 29.396 89 HG3 ARG 14 3HG ARG 14 38.503 17.605 28.619 90 HD2 ARG 14 2HD ARG 14 38.594 19.705 29.742 91 HD3 ARG 14 3HD ARG 14 38.485 20.042 28.001 92 HE ARG 14 HE ARG 14 35.949 20.045 29.479 93 HH11 ARG 14 2HH1 ARG 14 38.612 21.903 28.109 94 HH12 ARG 14 1HH1 ARG 14 37.736 23.416 28.133 95 HH21 ARG 14 2HH2 ARG 14 34.827 22.041 29.522 96 HH22 ARG 14 1HH2 ARG 14 35.599 23.493 28.930 97 H GLU 15 HN GLU 15 36.178 20.200 25.302 98 HA GLU 15 HA GLU 15 35.580 20.564 23.131 99 HB2 GLU 15 2HB GLU 15 35.042 17.582 23.231 100 HB3 GLU 15 3HB GLU 15 35.031 18.556 21.741 101 HG2 GLU 15 2HG GLU 15 37.363 19.096 22.012 102 HG3 GLU 15 3HG GLU 15 37.405 18.303 23.602 103 HE2 GLU 15 2HE GLU 15 37.527 16.024 20.351 104 H ASN 16 HN ASN 16 33.590 19.598 21.467 105 HA ASN 16 HA ASN 16 31.113 20.065 23.054 106 HB2 ASN 16 2HB ASN 16 31.672 22.048 21.708 107 HB3 ASN 16 3HB ASN 16 31.713 21.044 20.243 108 HD21 ASN 16 1HD2 ASN 16 29.669 22.474 22.737 109 HD22 ASN 16 2HD2 ASN 16 28.153 22.277 21.883 110 H LEU 17 HN LEU 17 30.503 17.971 23.260 111 HA LEU 17 HA LEU 17 30.314 16.301 20.831 112 HB2 LEU 17 2HB LEU 17 29.565 15.700 23.710 113 HB3 LEU 17 3HB LEU 17 29.634 14.533 22.368 114 HG LEU 17 HG LEU 17 31.977 16.031 23.568 115 HD11 LEU 17 1HD1 LEU 17 32.680 13.812 24.368 116 HD12 LEU 17 2HD1 LEU 17 31.094 14.269 25.027 117 HD13 LEU 17 3HD1 LEU 17 31.199 13.100 23.688 118 HD21 LEU 17 3HD2 LEU 17 32.267 15.641 21.164 119 HD22 LEU 17 1HD2 LEU 17 33.368 14.615 22.112 120 HD23 LEU 17 2HD2 LEU 17 31.899 13.915 21.394 121 H TYR 18 HN TYR 18 28.064 14.893 20.981 122 HA TYR 18 HA TYR 18 26.071 16.965 20.481 123 HB2 TYR 18 2HB TYR 18 26.428 14.857 19.057 124 HB3 TYR 18 3HB TYR 18 25.585 13.983 20.348 125 HD1 TYR 18 2HD TYR 18 23.188 14.535 20.849 126 HD2 TYR 18 1HD TYR 18 25.222 16.274 17.530 127 HE1 TYR 18 2HE TYR 18 21.036 15.217 19.888 128 HE2 TYR 18 1HE TYR 18 23.066 16.971 16.577 129 HH TYR 18 HH TYR 18 19.966 16.281 18.195 130 H PHE 19 HN PHE 19 26.040 17.723 22.688 131 HA PHE 19 HA PHE 19 24.276 16.052 24.417 132 HB2 PHE 19 2HB PHE 19 26.528 16.871 25.300 133 HB3 PHE 19 3HB PHE 19 25.863 18.511 25.214 134 HD1 PHE 19 1HD PHE 19 25.071 15.146 26.641 135 HD2 PHE 19 2HD PHE 19 24.795 19.375 27.082 136 HE1 PHE 19 1HE PHE 19 24.069 14.848 28.864 137 HE2 PHE 19 2HE PHE 19 23.797 19.080 29.305 138 HZ PHE 19 HZ PHE 19 23.432 16.817 30.201 139 H GLN 20 HN GLN 20 23.971 18.028 21.989 140 HA GLN 20 HA GLN 20 22.163 20.023 23.187 141 HB2 GLN 20 2HB GLN 20 22.953 19.536 20.294 142 HB3 GLN 20 3HB GLN 20 22.044 20.934 20.919 143 HG2 GLN 20 2HG GLN 20 24.894 20.213 21.644 144 HG3 GLN 20 3HG GLN 20 24.405 21.459 20.475 145 HE21 GLN 20 1HE2 GLN 20 24.541 20.545 23.870 146 HE22 GLN 20 2HE2 GLN 20 24.237 22.144 24.515 147 H GLY 21 HN GLY 21 20.034 20.390 21.976 148 HA2 GLY 21 1HA GLY 21 18.505 17.961 22.086 149 HA3 GLY 21 2HA GLY 21 17.936 19.555 21.539 150 H HIS 22 HN HIS 22 16.910 17.473 20.242 151 HA HIS 22 HA HIS 22 18.558 16.835 17.905 152 HB2 HIS 22 2HB HIS 22 15.701 16.113 18.637 153 HB3 HIS 22 3HB HIS 22 16.545 15.545 17.184 154 HD1 HIS 22 1HD HIS 22 15.720 14.455 20.467 155 HD2 HIS 22 2HD HIS 22 19.130 14.173 18.070 156 HE1 HIS 22 1HE HIS 22 17.096 12.549 21.415 157 HE2 HIS 22 2HE HIS 22 19.169 12.385 19.959 158 H MET 23 HN MET 23 18.468 17.790 15.961 159 HA MET 23 HA MET 23 16.559 20.043 15.672 160 HB2 MET 23 2HB MET 23 19.051 19.323 14.095 161 HB3 MET 23 3HB MET 23 18.028 20.753 13.819 162 HG2 MET 23 2HG MET 23 18.574 21.565 16.073 163 HG3 MET 23 3HG MET 23 19.608 20.150 16.331 164 HE1 MET 23 3HE MET 23 21.721 21.549 16.916 165 HE2 MET 23 1HE MET 23 22.297 22.939 15.969 166 HE3 MET 23 2HE MET 23 20.729 23.022 16.803 167 H ALA 24 HN ALA 24 15.149 20.213 13.996 168 HA ALA 24 HA ALA 24 13.826 19.622 12.254 169 HB1 ALA 24 1HB ALA 24 14.646 18.113 10.493 170 HB2 ALA 24 2HB ALA 24 15.878 19.306 10.960 171 HB3 ALA 24 3HB ALA 24 15.997 17.629 11.543 172 H ALA 25 HN ALA 25 12.023 18.443 12.086 173 HA ALA 25 HA ALA 25 11.801 16.138 13.909 174 HB1 ALA 25 1HB ALA 25 9.379 16.364 13.534 175 HB2 ALA 25 2HB ALA 25 10.105 17.909 14.033 176 HB3 ALA 25 3HB ALA 25 9.685 17.633 12.326 177 H ARG 26 HN ARG 26 13.090 16.289 11.065 178 HA ARG 26 HA ARG 26 11.933 13.700 10.225 179 HB2 ARG 26 2HB ARG 26 11.850 14.347 7.898 180 HB3 ARG 26 3HB ARG 26 10.843 15.459 8.856 181 HG2 ARG 26 2HG ARG 26 12.628 17.141 8.784 182 HG3 ARG 26 3HG ARG 26 13.638 16.029 7.829 183 HD2 ARG 26 2HD ARG 26 11.845 15.997 6.086 184 HD3 ARG 26 3HD ARG 26 10.979 17.239 7.017 185 HE ARG 26 HE ARG 26 13.749 17.894 6.336 186 HH11 ARG 26 2HH1 ARG 26 10.347 18.155 5.464 187 HH12 ARG 26 1HH1 ARG 26 10.596 19.520 4.400 188 HH21 ARG 26 2HH2 ARG 26 14.060 19.661 4.924 189 HH22 ARG 26 1HH2 ARG 26 12.694 20.371 4.096 190 H ILE 27 HN ILE 27 13.413 12.311 9.255 191 HA ILE 27 HA ILE 27 16.199 12.950 9.804 192 HB ILE 27 HB ILE 27 16.601 10.616 8.892 193 HG12 ILE 27 2HG1 ILE 27 13.568 10.535 8.847 194 HG13 ILE 27 3HG1 ILE 27 14.627 10.535 7.416 195 HG21 ILE 27 1HG2 ILE 27 15.632 9.506 10.863 196 HG22 ILE 27 2HG2 ILE 27 16.338 11.084 11.287 197 HG23 ILE 27 3HG2 ILE 27 14.573 10.911 11.133 198 HD11 ILE 27 3HD1 ILE 27 14.534 8.396 9.561 199 HD12 ILE 27 1HD1 ILE 27 13.830 8.264 7.935 200 HD13 ILE 27 2HD1 ILE 27 15.591 8.395 8.127 201 H THR 28 HN THR 28 15.899 14.830 8.186 202 HA THR 28 HA THR 28 16.599 15.797 6.246 203 HB THR 28 HB THR 28 17.814 13.118 5.467 204 HG1 THR 28 1HG THR 28 19.669 13.926 6.600 205 HG21 THR 28 3HG2 THR 28 18.612 15.986 4.836 206 HG22 THR 28 1HG2 THR 28 19.479 14.529 4.302 207 HG23 THR 28 2HG2 THR 28 17.834 14.850 3.708 208 H GLY 29 HN GLY 29 14.138 13.827 6.477 209 HA2 GLY 29 1HA GLY 29 12.840 14.600 4.172 210 HA3 GLY 29 2HA GLY 29 13.655 13.082 3.733 211 H GLU 30 HN GLU 30 11.218 12.685 3.399 212 HA GLU 30 HA GLU 30 9.934 11.845 5.934 213 HB2 GLU 30 2HB GLU 30 7.916 11.564 4.544 214 HB3 GLU 30 3HB GLU 30 8.579 13.213 4.447 215 HG2 GLU 30 2HG GLU 30 9.536 12.757 2.285 216 HG3 GLU 30 3HG GLU 30 9.065 11.048 2.391 217 HE2 GLU 30 2HE GLU 30 5.814 11.749 1.435 218 HA PRO 31 HA PRO 31 10.623 7.521 5.164 219 HB2 PRO 31 2HB PRO 31 7.807 6.979 6.009 220 HB3 PRO 31 3HB PRO 31 9.361 6.506 6.769 221 HG2 PRO 31 2HG PRO 31 7.736 8.368 7.812 222 HG3 PRO 31 3HG PRO 31 9.516 8.394 8.032 223 HD2 PRO 31 2HD PRO 31 7.735 10.020 6.222 224 HD3 PRO 31 3HD PRO 31 9.234 10.491 7.079 225 H SER 32 HN SER 32 8.403 9.386 3.480 226 HA SER 32 HA SER 32 7.448 9.199 1.426 227 HB2 SER 32 2HB SER 32 8.791 6.477 1.293 228 HB3 SER 32 3HB SER 32 8.014 7.325 -0.066 229 HG SER 32 HG SER 32 10.290 7.644 -0.003 230 H LYS 33 HN LYS 33 5.778 7.877 0.164 231 HA LYS 33 HA LYS 33 3.772 7.153 2.145 232 HB2 LYS 33 2HB LYS 33 3.753 7.486 -0.858 233 HB3 LYS 33 3HB LYS 33 2.352 6.829 0.023 234 HG2 LYS 33 2HG LYS 33 1.961 9.149 -0.330 235 HG3 LYS 33 3HG LYS 33 2.337 8.924 1.395 236 HD2 LYS 33 2HD LYS 33 4.669 9.638 0.948 237 HD3 LYS 33 3HD LYS 33 4.231 9.935 -0.750 238 HE2 LYS 33 2HE LYS 33 2.577 11.598 -0.047 239 HE3 LYS 33 3HE LYS 33 2.967 11.283 1.657 240 HZ1 LYS 33 3HZ LYS 33 4.822 12.366 -0.353 241 HZ2 LYS 33 1HZ LYS 33 4.081 13.234 0.836 242 HZ3 LYS 33 2HZ LYS 33 5.184 12.074 1.229 243 H LYS 34 HN LYS 34 3.397 5.186 2.879 244 HA LYS 34 HA LYS 34 4.041 2.879 1.100 245 HB2 LYS 34 2HB LYS 34 4.793 3.416 3.787 246 HB3 LYS 34 3HB LYS 34 3.582 2.111 3.838 247 HG2 LYS 34 2HG LYS 34 5.780 1.143 3.725 248 HG3 LYS 34 3HG LYS 34 4.939 0.850 2.185 249 HD2 LYS 34 2HD LYS 34 7.259 1.498 1.783 250 HD3 LYS 34 3HD LYS 34 6.147 2.747 1.173 251 HE2 LYS 34 2HE LYS 34 6.523 4.072 3.216 252 HE3 LYS 34 3HE LYS 34 7.641 2.827 3.814 253 HZ1 LYS 34 3HZ LYS 34 8.006 4.423 1.367 254 HZ2 LYS 34 1HZ LYS 34 8.807 4.650 2.789 255 HZ3 LYS 34 2HZ LYS 34 9.044 3.267 1.923 256 H ALA 35 HN ALA 35 2.056 2.877 0.019 257 HA ALA 35 HA ALA 35 -0.380 2.773 1.708 258 HB1 ALA 35 1HB ALA 35 -1.595 3.301 -0.370 259 HB2 ALA 35 2HB ALA 35 -0.319 4.497 -0.044 260 HB3 ALA 35 3HB ALA 35 -0.067 3.240 -1.278 261 H VAL 36 HN VAL 36 1.410 0.496 1.471 262 HA VAL 36 HA VAL 36 -0.088 -1.371 -0.229 263 HB VAL 36 HB VAL 36 2.351 -1.567 -0.158 264 HG11 VAL 36 1HG1 VAL 36 3.527 -2.336 1.855 265 HG12 VAL 36 2HG1 VAL 36 2.752 -0.757 2.111 266 HG13 VAL 36 3HG1 VAL 36 2.011 -2.232 2.777 267 HG21 VAL 36 3HG2 VAL 36 1.013 -3.565 -0.594 268 HG22 VAL 36 1HG2 VAL 36 2.508 -3.981 0.274 269 HG23 VAL 36 2HG2 VAL 36 0.962 -3.921 1.149 270 H SER 37 HN SER 37 -1.557 -2.806 0.465 271 HA SER 37 HA SER 37 -2.400 -2.444 3.287 272 HB2 SER 37 2HB SER 37 -3.972 -3.597 0.962 273 HB3 SER 37 3HB SER 37 -4.599 -3.112 2.556 274 HG SER 37 HG SER 37 -4.925 -1.500 0.944 275 H ASP 38 HN ASP 38 -0.907 -4.671 1.229 276 HA ASP 38 HA ASP 38 -0.188 -6.801 1.491 277 HB2 ASP 38 2HB ASP 38 -0.735 -6.044 4.356 278 HB3 ASP 38 3HB ASP 38 -0.112 -7.649 3.919 279 HD2 ASP 38 2HD ASP 38 3.053 -6.378 3.860 280 H ARG 39 HN ARG 39 -3.249 -6.206 1.298 281 HA ARG 39 HA ARG 39 -4.298 -8.658 2.562 282 HB2 ARG 39 2HB ARG 39 -5.707 -6.478 0.990 283 HB3 ARG 39 3HB ARG 39 -6.493 -7.818 1.859 284 HG2 ARG 39 2HG ARG 39 -4.782 -5.676 3.146 285 HG3 ARG 39 3HG ARG 39 -6.562 -5.671 3.092 286 HD2 ARG 39 2HD ARG 39 -4.912 -7.899 4.312 287 HD3 ARG 39 3HD ARG 39 -5.560 -6.527 5.235 288 HE ARG 39 HE ARG 39 -7.628 -7.830 3.725 289 HH11 ARG 39 2HH1 ARG 39 -5.596 -8.233 6.573 290 HH12 ARG 39 1HH1 ARG 39 -6.791 -9.161 7.450 291 HH21 ARG 39 2HH2 ARG 39 -9.197 -9.004 4.894 292 HH22 ARG 39 1HH2 ARG 39 -8.831 -9.598 6.498 293 H LEU 40 HN LEU 40 -2.798 -7.830 -0.289 294 HA LEU 40 HA LEU 40 -4.420 -9.504 -2.063 295 HB2 LEU 40 2HB LEU 40 -1.657 -8.344 -2.521 296 HB3 LEU 40 3HB LEU 40 -2.817 -8.911 -3.748 297 HG LEU 40 HG LEU 40 -3.107 -6.463 -1.988 298 HD11 LEU 40 1HD1 LEU 40 -2.866 -5.223 -4.101 299 HD12 LEU 40 2HD1 LEU 40 -1.430 -6.216 -3.762 300 HD13 LEU 40 3HD1 LEU 40 -2.621 -6.756 -4.970 301 HD21 LEU 40 3HD2 LEU 40 -5.270 -7.520 -2.438 302 HD22 LEU 40 1HD2 LEU 40 -5.114 -5.985 -3.322 303 HD23 LEU 40 2HD2 LEU 40 -4.909 -7.528 -4.181 304 H ILE 41 HN ILE 41 -1.819 -9.857 0.161 305 HA ILE 41 HA ILE 41 -0.324 -11.919 -1.070 306 HB ILE 41 HB ILE 41 -0.759 -11.404 1.899 307 HG12 ILE 41 2HG1 ILE 41 0.047 -9.419 0.727 308 HG13 ILE 41 3HG1 ILE 41 1.309 -10.102 1.781 309 HG21 ILE 41 1HG2 ILE 41 1.400 -12.553 2.203 310 HG22 ILE 41 2HG2 ILE 41 0.196 -13.623 1.449 311 HG23 ILE 41 3HG2 ILE 41 1.471 -12.879 0.456 312 HD11 ILE 41 3HD1 ILE 41 1.121 -10.447 -1.223 313 HD12 ILE 41 1HD1 ILE 41 2.248 -9.369 -0.373 314 HD13 ILE 41 2HD1 ILE 41 2.384 -11.127 -0.167 315 H GLY 42 HN GLY 42 -0.810 -13.940 -1.544 316 HA2 GLY 42 1HA GLY 42 -1.428 -16.123 -0.821 317 HA3 GLY 42 2HA GLY 42 -2.593 -15.402 0.313 318 H ARG 43 HN ARG 43 -3.253 -13.554 -2.172 319 HA ARG 43 HA ARG 43 -5.347 -15.442 -3.101 320 HB2 ARG 43 2HB ARG 43 -5.242 -12.413 -3.090 321 HB3 ARG 43 3HB ARG 43 -6.562 -13.378 -3.793 322 HG2 ARG 43 2HG ARG 43 -6.957 -14.384 -1.555 323 HG3 ARG 43 3HG ARG 43 -5.719 -13.294 -0.885 324 HD2 ARG 43 2HD ARG 43 -7.926 -12.365 -0.500 325 HD3 ARG 43 3HD ARG 43 -7.038 -11.353 -1.659 326 HE ARG 43 HE ARG 43 -8.570 -13.230 -3.117 327 HH11 ARG 43 2HH1 ARG 43 -9.044 -10.462 -0.984 328 HH12 ARG 43 1HH1 ARG 43 -10.551 -9.983 -1.730 329 HH21 ARG 43 2HH2 ARG 43 -10.534 -12.591 -4.087 330 HH22 ARG 43 1HH2 ARG 43 -11.395 -11.190 -3.490 331 H LYS 44 HN LYS 44 -6.246 -14.677 -5.364 332 HA LYS 44 HA LYS 44 -3.977 -15.108 -7.175 333 HB2 LYS 44 2HB LYS 44 -6.002 -16.499 -7.369 334 HB3 LYS 44 3HB LYS 44 -6.975 -15.041 -7.680 335 HG2 LYS 44 2HG LYS 44 -5.455 -14.633 -9.676 336 HG3 LYS 44 3HG LYS 44 -4.851 -16.288 -9.423 337 HD2 LYS 44 2HD LYS 44 -7.768 -15.583 -9.833 338 HD3 LYS 44 3HD LYS 44 -6.667 -16.087 -11.137 339 HE2 LYS 44 2HE LYS 44 -6.230 -18.189 -9.795 340 HE3 LYS 44 3HE LYS 44 -7.568 -17.694 -8.735 341 HZ1 LYS 44 3HZ LYS 44 -7.765 -18.168 -11.636 342 HZ2 LYS 44 1HZ LYS 44 -8.302 -19.187 -10.456 343 HZ3 LYS 44 2HZ LYS 44 -9.006 -17.708 -10.651 344 H GLY 45 HN GLY 45 -3.410 -13.815 -8.880 345 HA2 GLY 45 1HA GLY 45 -4.931 -11.286 -9.233 346 HA3 GLY 45 2HA GLY 45 -3.153 -11.301 -9.194 347 H VAL 46 HN VAL 46 -4.792 -10.438 -11.418 348 HA VAL 46 HA VAL 46 -4.236 -12.627 -13.357 349 HB VAL 46 HB VAL 46 -6.615 -11.990 -13.207 350 HG11 VAL 46 1HG1 VAL 46 -7.384 -9.774 -13.948 351 HG12 VAL 46 2HG1 VAL 46 -6.348 -9.659 -12.508 352 HG13 VAL 46 3HG1 VAL 46 -5.695 -9.245 -14.111 353 HG21 VAL 46 3HG2 VAL 46 -5.723 -12.794 -15.338 354 HG22 VAL 46 1HG2 VAL 46 -7.018 -11.605 -15.602 355 HG23 VAL 46 2HG2 VAL 46 -5.319 -11.125 -15.808 356 H VAL 47 HN VAL 47 -3.081 -12.211 -15.212 357 HA VAL 47 HA VAL 47 -1.361 -9.840 -15.041 358 HB VAL 47 HB VAL 47 -1.269 -12.173 -16.986 359 HG11 VAL 47 1HG1 VAL 47 1.044 -11.453 -17.390 360 HG12 VAL 47 2HG1 VAL 47 -0.119 -10.170 -17.796 361 HG13 VAL 47 3HG1 VAL 47 0.810 -10.084 -16.279 362 HG21 VAL 47 3HG2 VAL 47 -0.999 -12.939 -14.676 363 HG22 VAL 47 1HG2 VAL 47 0.532 -13.068 -15.572 364 HG23 VAL 47 2HG2 VAL 47 0.287 -11.734 -14.421 365 H MET 48 HN MET 48 -2.054 -8.009 -15.955 366 HA MET 48 HA MET 48 -3.797 -8.171 -18.337 367 HB2 MET 48 2HB MET 48 -2.976 -5.864 -16.549 368 HB3 MET 48 3HB MET 48 -4.002 -5.696 -17.994 369 HG2 MET 48 2HG MET 48 -5.612 -7.286 -16.956 370 HG3 MET 48 3HG MET 48 -4.621 -7.267 -15.488 371 HE1 MET 48 3HE MET 48 -6.900 -5.175 -17.906 372 HE2 MET 48 1HE MET 48 -6.812 -3.550 -17.187 373 HE3 MET 48 2HE MET 48 -5.371 -4.264 -17.945 374 H GLU 49 HN GLU 49 -0.580 -7.178 -17.312 375 HA GLU 49 HA GLU 49 0.067 -6.745 -20.189 376 HB2 GLU 49 2HB GLU 49 0.107 -4.614 -18.903 377 HB3 GLU 49 3HB GLU 49 1.332 -5.325 -17.825 378 HG2 GLU 49 2HG GLU 49 2.297 -3.842 -19.556 379 HG3 GLU 49 3HG GLU 49 2.904 -5.509 -19.646 380 HE2 GLU 49 2HE GLU 49 1.417 -6.016 -22.753 381 H ALA 50 HN ALA 50 1.890 -7.716 -20.943 382 HA ALA 50 HA ALA 50 2.518 -10.175 -19.731 383 HB1 ALA 50 1HB ALA 50 4.220 -10.391 -21.500 384 HB2 ALA 50 2HB ALA 50 2.692 -9.749 -22.143 385 HB3 ALA 50 3HB ALA 50 4.067 -8.655 -21.857 386 H ILE 51 HN ILE 51 3.658 -10.618 -18.012 387 HA ILE 51 HA ILE 51 5.692 -8.775 -17.030 388 HB ILE 51 HB ILE 51 4.954 -11.568 -16.063 389 HG12 ILE 51 2HG1 ILE 51 4.103 -8.871 -14.967 390 HG13 ILE 51 3HG1 ILE 51 3.090 -9.905 -16.002 391 HG21 ILE 51 1HG2 ILE 51 6.090 -10.898 -13.980 392 HG22 ILE 51 2HG2 ILE 51 7.202 -10.853 -15.367 393 HG23 ILE 51 3HG2 ILE 51 6.525 -9.339 -14.719 394 HD11 ILE 51 3HD1 ILE 51 4.157 -10.632 -13.262 395 HD12 ILE 51 1HD1 ILE 51 2.487 -10.156 -13.629 396 HD13 ILE 51 2HD1 ILE 51 3.143 -11.665 -14.299 397 H SER 52 HN SER 52 7.546 -8.695 -18.182 398 HA SER 52 HA SER 52 8.636 -11.291 -19.130 399 HB2 SER 52 2HB SER 52 10.056 -9.692 -20.610 400 HB3 SER 52 3HB SER 52 8.350 -9.974 -21.033 401 HG SER 52 HG SER 52 8.921 -7.744 -21.078 402 HA PRO 53 HA PRO 53 12.099 -11.096 -16.448 403 HB2 PRO 53 2HB PRO 53 13.872 -11.685 -18.793 404 HB3 PRO 53 3HB PRO 53 13.563 -12.627 -17.299 405 HG2 PRO 53 2HG PRO 53 12.609 -13.355 -19.690 406 HG3 PRO 53 3HG PRO 53 11.763 -13.727 -18.152 407 HD2 PRO 53 2HD PRO 53 11.184 -11.675 -20.269 408 HD3 PRO 53 3HD PRO 53 10.062 -12.569 -19.198 409 H GLN 54 HN GLN 54 12.013 -9.237 -19.396 410 HA GLN 54 HA GLN 54 14.375 -7.652 -18.609 411 HB2 GLN 54 2HB GLN 54 12.604 -7.512 -21.072 412 HB3 GLN 54 3HB GLN 54 14.114 -6.606 -20.814 413 HG2 GLN 54 2HG GLN 54 15.389 -8.667 -20.790 414 HG3 GLN 54 3HG GLN 54 13.898 -9.624 -20.925 415 HE21 GLN 54 1HE2 GLN 54 14.574 -10.631 -22.843 416 HE22 GLN 54 2HE2 GLN 54 14.627 -9.772 -24.369 417 H ASN 55 HN ASN 55 10.867 -7.480 -18.660 418 HA ASN 55 HA ASN 55 11.019 -4.797 -17.430 419 HB2 ASN 55 2HB ASN 55 10.768 -4.655 -20.008 420 HB3 ASN 55 3HB ASN 55 9.126 -5.275 -19.738 421 HD21 ASN 55 1HD2 ASN 55 10.000 -2.692 -20.839 422 HD22 ASN 55 2HD2 ASN 55 9.298 -1.464 -19.808 423 H SER 56 HN SER 56 9.554 -4.575 -15.842 424 HA SER 56 HA SER 56 8.118 -6.857 -14.945 425 HB2 SER 56 2HB SER 56 7.570 -3.988 -14.140 426 HB3 SER 56 3HB SER 56 7.368 -5.464 -13.166 427 HG SER 56 HG SER 56 9.293 -4.311 -12.649 428 H GLY 57 HN GLY 57 5.836 -7.146 -14.644 429 HA2 GLY 57 1HA GLY 57 4.347 -5.970 -16.934 430 HA3 GLY 57 2HA GLY 57 4.031 -7.558 -16.199 431 H LEU 58 HN LEU 58 1.831 -6.273 -16.454 432 HA LEU 58 HA LEU 58 1.370 -4.859 -13.869 433 HB2 LEU 58 2HB LEU 58 -0.006 -4.528 -16.551 434 HB3 LEU 58 3HB LEU 58 -0.558 -3.778 -15.034 435 HG LEU 58 HG LEU 58 2.105 -3.268 -16.376 436 HD11 LEU 58 1HD1 LEU 58 1.158 -1.070 -16.953 437 HD12 LEU 58 2HD1 LEU 58 0.228 -2.394 -17.692 438 HD13 LEU 58 3HD1 LEU 58 -0.402 -1.560 -16.251 439 HD21 LEU 58 3HD2 LEU 58 2.166 -2.995 -13.940 440 HD22 LEU 58 1HD2 LEU 58 2.293 -1.423 -14.760 441 HD23 LEU 58 2HD2 LEU 58 0.752 -1.916 -14.020 442 H VAL 59 HN VAL 59 0.065 -5.832 -12.477 443 HA VAL 59 HA VAL 59 -1.860 -7.817 -13.573 444 HB VAL 59 HB VAL 59 -1.712 -8.994 -11.379 445 HG11 VAL 59 1HG1 VAL 59 0.442 -10.096 -11.815 446 HG12 VAL 59 2HG1 VAL 59 -0.455 -9.795 -13.321 447 HG13 VAL 59 3HG1 VAL 59 0.915 -8.749 -12.876 448 HG21 VAL 59 3HG2 VAL 59 -0.895 -7.131 -10.016 449 HG22 VAL 59 1HG2 VAL 59 0.184 -8.538 -9.881 450 HG23 VAL 59 2HG2 VAL 59 0.652 -7.155 -10.897 451 H LYS 60 HN LYS 60 -3.945 -7.798 -12.778 452 HA LYS 60 HA LYS 60 -4.613 -5.360 -11.222 453 HB2 LYS 60 2HB LYS 60 -5.694 -5.701 -13.447 454 HB3 LYS 60 3HB LYS 60 -6.447 -7.183 -12.809 455 HG2 LYS 60 2HG LYS 60 -7.557 -5.798 -11.059 456 HG3 LYS 60 3HG LYS 60 -6.897 -4.346 -11.850 457 HD2 LYS 60 2HD LYS 60 -8.073 -4.998 -13.939 458 HD3 LYS 60 3HD LYS 60 -8.795 -6.374 -13.070 459 HE2 LYS 60 2HE LYS 60 -10.405 -4.604 -13.088 460 HE3 LYS 60 3HE LYS 60 -9.762 -4.732 -11.437 461 HZ1 LYS 60 3HZ LYS 60 -8.920 -2.756 -13.454 462 HZ2 LYS 60 1HZ LYS 60 -9.898 -2.451 -12.163 463 HZ3 LYS 60 2HZ LYS 60 -8.323 -2.875 -11.921 464 H VAL 61 HN VAL 61 -4.838 -5.653 -9.109 465 HA VAL 61 HA VAL 61 -6.331 -8.063 -8.223 466 HB VAL 61 HB VAL 61 -4.125 -6.931 -6.505 467 HG11 VAL 61 1HG1 VAL 61 -4.160 -9.196 -5.547 468 HG12 VAL 61 2HG1 VAL 61 -5.773 -8.448 -5.510 469 HG13 VAL 61 3HG1 VAL 61 -5.390 -9.680 -6.738 470 HG21 VAL 61 3HG2 VAL 61 -3.033 -7.468 -8.634 471 HG22 VAL 61 1HG2 VAL 61 -2.557 -8.622 -7.368 472 HG23 VAL 61 2HG2 VAL 61 -3.750 -9.097 -8.597 473 H ASP 62 HN ASP 62 -7.709 -7.735 -6.477 474 HA ASP 62 HA ASP 62 -9.213 -6.573 -5.223 475 HB2 ASP 62 2HB ASP 62 -7.352 -5.767 -3.901 476 HB3 ASP 62 3HB ASP 62 -6.999 -4.499 -5.095 477 HD2 ASP 62 2HD ASP 62 -9.263 -2.374 -3.637 478 H GLY 63 HN GLY 63 -7.828 -3.593 -6.508 479 HA2 GLY 63 1HA GLY 63 -9.766 -3.523 -8.703 480 HA3 GLY 63 2HA GLY 63 -10.002 -2.309 -7.425 481 H GLU 64 HN GLU 64 -6.758 -3.184 -7.701 482 HA GLU 64 HA GLU 64 -6.238 -0.687 -9.236 483 HB2 GLU 64 2HB GLU 64 -4.570 -2.044 -7.094 484 HB3 GLU 64 3HB GLU 64 -4.178 -0.520 -7.927 485 HG2 GLU 64 2HG GLU 64 -6.502 -1.030 -6.059 486 HG3 GLU 64 3HG GLU 64 -5.052 -0.060 -5.724 487 HE2 GLU 64 2HE GLU 64 -6.295 2.357 -8.139 488 H THR 65 HN THR 65 -4.143 -0.651 -10.384 489 HA THR 65 HA THR 65 -3.461 -3.355 -11.417 490 HB THR 65 HB THR 65 -2.782 -0.719 -12.748 491 HG1 THR 65 1HG THR 65 -4.688 -1.103 -14.005 492 HG21 THR 65 3HG2 THR 65 -3.107 -3.559 -13.788 493 HG22 THR 65 1HG2 THR 65 -2.662 -2.141 -14.765 494 HG23 THR 65 2HG2 THR 65 -1.561 -2.726 -13.498 495 H TRP 66 HN TRP 66 -1.724 -4.135 -10.490 496 HA TRP 66 HA TRP 66 0.255 -2.231 -9.370 497 HB2 TRP 66 2HB TRP 66 -0.255 -5.158 -8.733 498 HB3 TRP 66 3HB TRP 66 0.928 -4.116 -7.932 499 HD1 TRP 66 1HD TRP 66 -2.867 -4.754 -8.121 500 HE1 TRP 66 1HE TRP 66 -4.018 -3.649 -6.123 501 HE3 TRP 66 3HE TRP 66 1.163 -2.217 -6.270 502 HZ2 TRP 66 2HZ TRP 66 -3.278 -1.887 -4.022 503 HZ3 TRP 66 3HZ TRP 66 0.862 -0.831 -4.256 504 HH2 TRP 66 2HH TRP 66 -1.329 -0.678 -3.143 505 H ARG 67 HN ARG 67 2.501 -2.713 -9.554 506 HA ARG 67 HA ARG 67 3.177 -4.028 -12.080 507 HB2 ARG 67 2HB ARG 67 4.775 -2.521 -10.007 508 HB3 ARG 67 3HB ARG 67 5.541 -3.395 -11.356 509 HG2 ARG 67 2HG ARG 67 5.342 -1.052 -11.903 510 HG3 ARG 67 3HG ARG 67 4.264 -2.008 -12.949 511 HD2 ARG 67 2HD ARG 67 2.335 -1.328 -11.750 512 HD3 ARG 67 3HD ARG 67 3.303 -0.680 -10.409 513 HE ARG 67 HE ARG 67 4.140 0.827 -12.507 514 HH11 ARG 67 2HH1 ARG 67 0.907 -0.007 -11.355 515 HH12 ARG 67 1HH1 ARG 67 0.203 1.504 -11.881 516 HH21 ARG 67 2HH2 ARG 67 3.215 2.788 -13.156 517 HH22 ARG 67 1HH2 ARG 67 1.510 3.086 -12.900 518 H ALA 68 HN ALA 68 4.206 -5.962 -12.291 519 HA ALA 68 HA ALA 68 4.606 -7.457 -9.751 520 HB1 ALA 68 1HB ALA 68 3.604 -9.436 -10.812 521 HB2 ALA 68 2HB ALA 68 2.455 -8.081 -10.746 522 HB3 ALA 68 3HB ALA 68 3.272 -8.482 -12.275 523 H THR 69 HN THR 69 6.246 -8.879 -9.644 524 HA THR 69 HA THR 69 7.912 -9.186 -12.079 525 HB THR 69 HB THR 69 9.920 -9.127 -10.483 526 HG1 THR 69 1HG THR 69 9.544 -7.885 -8.574 527 HG21 THR 69 3HG2 THR 69 8.345 -6.567 -10.909 528 HG22 THR 69 1HG2 THR 69 10.088 -6.672 -10.571 529 HG23 THR 69 2HG2 THR 69 9.437 -7.332 -12.087 530 H SER 70 HN SER 70 9.033 -11.108 -12.272 531 HA SER 70 HA SER 70 8.911 -13.072 -10.102 532 HB2 SER 70 2HB SER 70 7.918 -14.812 -11.603 533 HB3 SER 70 3HB SER 70 6.782 -13.511 -11.168 534 HG SER 70 HG SER 70 6.731 -14.024 -13.408 535 H GLY 71 HN GLY 71 9.995 -15.220 -11.017 536 HA2 GLY 71 1HA GLY 71 12.441 -14.267 -12.378 537 HA3 GLY 71 2HA GLY 71 12.251 -15.787 -11.473 538 H THR 72 HN THR 72 9.795 -14.822 -13.759 539 HA THR 72 HA THR 72 10.957 -16.425 -15.928 540 HB THR 72 HB THR 72 8.199 -17.206 -14.959 541 HG1 THR 72 1HG THR 72 9.245 -18.922 -13.811 542 HG21 THR 72 3HG2 THR 72 10.369 -18.690 -16.489 543 HG22 THR 72 1HG2 THR 72 8.751 -19.323 -16.110 544 HG23 THR 72 2HG2 THR 72 8.926 -17.931 -17.202 545 H VAL 73 HN VAL 73 9.286 -16.450 -17.830 546 HA VAL 73 HA VAL 73 8.181 -13.715 -17.976 547 HB VAL 73 HB VAL 73 9.696 -14.333 -19.769 548 HG11 VAL 73 1HG1 VAL 73 9.191 -16.138 -21.356 549 HG12 VAL 73 2HG1 VAL 73 9.410 -16.759 -19.705 550 HG13 VAL 73 3HG1 VAL 73 7.774 -16.593 -20.386 551 HG21 VAL 73 3HG2 VAL 73 7.839 -12.834 -20.307 552 HG22 VAL 73 1HG2 VAL 73 8.270 -13.839 -21.709 553 HG23 VAL 73 2HG2 VAL 73 6.827 -14.231 -20.747 554 H LEU 74 HN LEU 74 6.090 -13.293 -17.894 555 HA LEU 74 HA LEU 74 4.200 -15.590 -18.121 556 HB2 LEU 74 2HB LEU 74 3.850 -13.060 -16.489 557 HB3 LEU 74 3HB LEU 74 2.798 -14.496 -16.499 558 HG LEU 74 HG LEU 74 5.635 -14.349 -15.441 559 HD11 LEU 74 1HD1 LEU 74 4.580 -14.695 -13.248 560 HD12 LEU 74 2HD1 LEU 74 3.998 -13.204 -14.023 561 HD13 LEU 74 3HD1 LEU 74 2.976 -14.660 -14.014 562 HD21 LEU 74 3HD2 LEU 74 5.138 -16.542 -16.421 563 HD22 LEU 74 1HD2 LEU 74 5.249 -16.647 -14.648 564 HD23 LEU 74 2HD2 LEU 74 3.656 -16.651 -15.440 565 H ASP 75 HN ASP 75 2.489 -15.376 -19.505 566 HA ASP 75 HA ASP 75 2.665 -13.058 -21.306 567 HB2 ASP 75 2HB ASP 75 2.373 -15.635 -21.884 568 HB3 ASP 75 3HB ASP 75 0.653 -15.253 -21.657 569 HD2 ASP 75 2HD ASP 75 2.381 -14.178 -24.985 570 H VAL 76 HN VAL 76 0.297 -12.563 -22.258 571 HA VAL 76 HA VAL 76 -1.009 -11.207 -20.023 572 HB VAL 76 HB VAL 76 -1.697 -11.207 -22.988 573 HG11 VAL 76 1HG1 VAL 76 -2.906 -9.122 -22.498 574 HG12 VAL 76 2HG1 VAL 76 -3.559 -10.490 -21.568 575 HG13 VAL 76 3HG1 VAL 76 -2.503 -9.297 -20.774 576 HG21 VAL 76 3HG2 VAL 76 0.579 -10.399 -22.596 577 HG22 VAL 76 1HG2 VAL 76 -0.492 -9.069 -23.095 578 HG23 VAL 76 2HG2 VAL 76 -0.033 -9.245 -21.385 579 H GLY 77 HN GLY 77 -3.031 -11.625 -19.201 580 HA2 GLY 77 1HA GLY 77 -5.163 -12.619 -19.179 581 HA3 GLY 77 2HA GLY 77 -4.697 -13.640 -20.559 582 H GLU 78 HN GLU 78 -2.168 -13.726 -18.428 583 HA GLU 78 HA GLU 78 -2.932 -16.347 -17.428 584 HB2 GLU 78 2HB GLU 78 -0.514 -14.576 -17.034 585 HB3 GLU 78 3HB GLU 78 -0.700 -16.176 -16.274 586 HG2 GLU 78 2HG GLU 78 -0.637 -15.584 -19.234 587 HG3 GLU 78 3HG GLU 78 0.669 -16.305 -18.270 588 HE2 GLU 78 2HE GLU 78 -2.317 -18.599 -19.458 589 H GLU 79 HN GLU 79 -2.343 -16.780 -15.061 590 HA GLU 79 HA GLU 79 -3.370 -14.585 -13.337 591 HB2 GLU 79 2HB GLU 79 -4.161 -17.507 -13.126 592 HB3 GLU 79 3HB GLU 79 -4.715 -16.172 -12.088 593 HG2 GLU 79 2HG GLU 79 -5.675 -15.120 -14.192 594 HG3 GLU 79 3HG GLU 79 -5.356 -16.671 -14.998 595 HE2 GLU 79 2HE GLU 79 -8.684 -16.399 -13.180 596 H VAL 80 HN VAL 80 -2.454 -14.501 -11.274 597 HA VAL 80 HA VAL 80 -0.278 -16.477 -10.816 598 HB VAL 80 HB VAL 80 1.185 -14.654 -10.005 599 HG11 VAL 80 1HG1 VAL 80 1.753 -13.663 -12.183 600 HG12 VAL 80 2HG1 VAL 80 1.395 -15.399 -12.330 601 HG13 VAL 80 3HG1 VAL 80 0.185 -14.195 -12.832 602 HG21 VAL 80 3HG2 VAL 80 -0.562 -13.067 -9.343 603 HG22 VAL 80 1HG2 VAL 80 0.608 -12.304 -10.445 604 HG23 VAL 80 2HG2 VAL 80 -0.984 -12.810 -11.054 605 H SER 81 HN SER 81 0.581 -16.419 -8.589 606 HA SER 81 HA SER 81 -1.535 -15.682 -6.626 607 HB2 SER 81 2HB SER 81 0.760 -17.658 -6.335 608 HB3 SER 81 3HB SER 81 -0.542 -17.358 -5.160 609 HG SER 81 HG SER 81 -0.939 -19.204 -6.477 610 H VAL 82 HN VAL 82 -1.104 -14.032 -5.271 611 HA VAL 82 HA VAL 82 1.484 -12.714 -5.482 612 HB VAL 82 HB VAL 82 -0.849 -12.057 -3.645 613 HG11 VAL 82 1HG1 VAL 82 0.134 -9.801 -3.597 614 HG12 VAL 82 2HG1 VAL 82 1.273 -11.021 -2.984 615 HG13 VAL 82 3HG1 VAL 82 1.471 -10.364 -4.626 616 HG21 VAL 82 3HG2 VAL 82 -1.564 -12.075 -5.991 617 HG22 VAL 82 1HG2 VAL 82 -1.522 -10.416 -5.352 618 HG23 VAL 82 2HG2 VAL 82 -0.218 -10.991 -6.416 619 H LYS 83 HN LYS 83 3.193 -13.354 -4.375 620 HA LYS 83 HA LYS 83 2.776 -14.915 -1.907 621 HB2 LYS 83 2HB LYS 83 4.975 -14.583 -3.917 622 HB3 LYS 83 3HB LYS 83 5.383 -15.125 -2.271 623 HG2 LYS 83 2HG LYS 83 3.373 -16.477 -4.087 624 HG3 LYS 83 3HG LYS 83 5.065 -16.987 -3.874 625 HD2 LYS 83 2HD LYS 83 4.676 -17.254 -1.469 626 HD3 LYS 83 3HD LYS 83 2.980 -16.760 -1.694 627 HE2 LYS 83 2HE LYS 83 3.145 -19.183 -1.528 628 HE3 LYS 83 3HE LYS 83 2.614 -18.706 -3.155 629 HZ1 LYS 83 3HZ LYS 83 5.357 -19.468 -2.405 630 HZ2 LYS 83 1HZ LYS 83 4.291 -20.414 -3.234 631 HZ3 LYS 83 2HZ LYS 83 4.862 -19.027 -3.915 632 H ALA 84 HN ALA 84 4.564 -12.021 -3.073 633 HA ALA 84 HA ALA 84 4.657 -11.035 -0.316 634 HB1 ALA 84 1HB ALA 84 7.112 -10.817 -0.273 635 HB2 ALA 84 2HB ALA 84 6.614 -12.520 -0.404 636 HB3 ALA 84 3HB ALA 84 7.212 -11.654 -1.839 637 H ILE 85 HN ILE 85 5.973 -8.918 -0.248 638 HA ILE 85 HA ILE 85 5.420 -7.384 -2.747 639 HB ILE 85 HB ILE 85 5.506 -6.286 0.090 640 HG12 ILE 85 2HG1 ILE 85 3.669 -7.934 -0.165 641 HG13 ILE 85 3HG1 ILE 85 3.101 -6.273 0.127 642 HG21 ILE 85 1HG2 ILE 85 4.382 -4.338 -0.913 643 HG22 ILE 85 2HG2 ILE 85 5.943 -4.665 -1.700 644 HG23 ILE 85 3HG2 ILE 85 4.425 -5.133 -2.503 645 HD11 ILE 85 3HD1 ILE 85 3.165 -7.687 -2.549 646 HD12 ILE 85 1HD1 ILE 85 1.716 -7.405 -1.562 647 HD13 ILE 85 2HD1 ILE 85 2.594 -6.026 -2.256 648 H GLU 86 HN GLU 86 7.141 -6.297 -3.626 649 HA GLU 86 HA GLU 86 9.531 -5.923 -1.892 650 HB2 GLU 86 2HB GLU 86 9.610 -7.918 -3.580 651 HB3 GLU 86 3HB GLU 86 9.818 -6.640 -4.802 652 HG2 GLU 86 2HG GLU 86 11.980 -7.465 -4.156 653 HG3 GLU 86 3HG GLU 86 11.785 -5.812 -3.536 654 HE2 GLU 86 2HE GLU 86 12.072 -6.874 -0.260 655 H GLY 87 HN GLY 87 9.600 -3.762 -1.660 656 HA2 GLY 87 1HA GLY 87 9.712 -1.539 -2.255 657 HA3 GLY 87 2HA GLY 87 9.911 -2.047 -3.948 658 H VAL 88 HN VAL 88 8.388 -1.218 -5.227 659 HA VAL 88 HA VAL 88 5.643 -0.980 -4.095 660 HB VAL 88 HB VAL 88 5.176 0.618 -5.903 661 HG11 VAL 88 1HG1 VAL 88 6.569 2.476 -5.097 662 HG12 VAL 88 2HG1 VAL 88 6.007 1.452 -3.756 663 HG13 VAL 88 3HG1 VAL 88 7.682 1.312 -4.343 664 HG21 VAL 88 3HG2 VAL 88 6.703 -0.267 -7.600 665 HG22 VAL 88 1HG2 VAL 88 6.974 1.472 -7.347 666 HG23 VAL 88 2HG2 VAL 88 8.099 0.286 -6.644 667 H LYS 89 HN LYS 89 7.323 -3.230 -5.532 668 HA LYS 89 HA LYS 89 5.257 -3.845 -7.589 669 HB2 LYS 89 2HB LYS 89 8.123 -4.824 -7.395 670 HB3 LYS 89 3HB LYS 89 6.950 -5.251 -8.664 671 HG2 LYS 89 2HG LYS 89 6.850 -2.856 -9.314 672 HG3 LYS 89 3HG LYS 89 8.118 -2.511 -8.113 673 HD2 LYS 89 2HD LYS 89 8.371 -4.381 -10.490 674 HD3 LYS 89 3HD LYS 89 9.056 -2.743 -10.369 675 HE2 LYS 89 2HE LYS 89 9.743 -5.066 -8.537 676 HE3 LYS 89 3HE LYS 89 10.723 -4.533 -9.921 677 HZ1 LYS 89 3HZ LYS 89 10.078 -2.908 -7.550 678 HZ2 LYS 89 1HZ LYS 89 11.531 -3.625 -7.859 679 HZ3 LYS 89 2HZ LYS 89 10.988 -2.414 -8.835 680 H LEU 90 HN LEU 90 4.503 -6.002 -7.742 681 HA LEU 90 HA LEU 90 4.513 -7.349 -5.132 682 HB2 LEU 90 2HB LEU 90 3.058 -8.176 -7.651 683 HB3 LEU 90 3HB LEU 90 2.719 -8.673 -5.975 684 HG LEU 90 HG LEU 90 2.253 -5.947 -7.204 685 HD11 LEU 90 1HD1 LEU 90 -0.117 -6.457 -6.780 686 HD12 LEU 90 2HD1 LEU 90 0.625 -7.660 -7.858 687 HD13 LEU 90 3HD1 LEU 90 0.342 -8.053 -6.145 688 HD21 LEU 90 3HD2 LEU 90 2.989 -5.731 -4.875 689 HD22 LEU 90 1HD2 LEU 90 1.265 -5.325 -5.038 690 HD23 LEU 90 2HD2 LEU 90 1.746 -6.900 -4.368 691 H VAL 91 HN VAL 91 5.332 -9.343 -4.730 692 HA VAL 91 HA VAL 91 6.985 -10.563 -6.860 693 HB VAL 91 HB VAL 91 6.772 -11.298 -3.914 694 HG11 VAL 91 1HG1 VAL 91 8.831 -12.587 -4.320 695 HG12 VAL 91 2HG1 VAL 91 7.492 -13.160 -5.341 696 HG13 VAL 91 3HG1 VAL 91 8.771 -12.138 -6.040 697 HG21 VAL 91 3HG2 VAL 91 7.691 -9.046 -4.212 698 HG22 VAL 91 1HG2 VAL 91 8.946 -10.179 -3.660 699 HG23 VAL 91 2HG2 VAL 91 8.888 -9.680 -5.367 700 H VAL 92 HN VAL 92 5.769 -11.804 -8.165 701 HA VAL 92 HA VAL 92 3.735 -13.520 -6.844 702 HB VAL 92 HB VAL 92 2.358 -13.308 -8.898 703 HG11 VAL 92 1HG1 VAL 92 1.551 -11.020 -8.490 704 HG12 VAL 92 2HG1 VAL 92 1.908 -11.867 -6.968 705 HG13 VAL 92 3HG1 VAL 92 3.045 -10.652 -7.600 706 HG21 VAL 92 3HG2 VAL 92 4.147 -12.770 -10.489 707 HG22 VAL 92 1HG2 VAL 92 2.857 -11.548 -10.547 708 HG23 VAL 92 2HG2 VAL 92 4.381 -11.191 -9.701 709 H GLU 93 HN GLU 93 3.086 -15.390 -8.121 710 HA GLU 93 HA GLU 93 5.075 -16.316 -10.096 711 HB2 GLU 93 2HB GLU 93 4.755 -18.635 -8.894 712 HB3 GLU 93 3HB GLU 93 6.010 -17.489 -8.370 713 HG2 GLU 93 2HG GLU 93 4.417 -16.664 -6.626 714 HG3 GLU 93 3HG GLU 93 3.315 -17.979 -7.088 715 HE2 GLU 93 2HE GLU 93 5.038 -20.192 -5.123 716 H LYS 94 HN LYS 94 4.196 -17.881 -11.558 717 HA LYS 94 HA LYS 94 1.493 -17.111 -12.096 718 HB2 LYS 94 2HB LYS 94 3.372 -17.778 -13.767 719 HB3 LYS 94 3HB LYS 94 2.789 -19.436 -13.485 720 HG2 LYS 94 2HG LYS 94 0.540 -18.781 -14.167 721 HG3 LYS 94 3HG LYS 94 1.083 -17.102 -14.397 722 HD2 LYS 94 2HD LYS 94 1.056 -17.994 -16.555 723 HD3 LYS 94 3HD LYS 94 2.768 -18.076 -16.073 724 HE2 LYS 94 2HE LYS 94 2.649 -20.410 -15.674 725 HE3 LYS 94 3HE LYS 94 0.872 -20.406 -15.724 726 HZ1 LYS 94 3HZ LYS 94 2.651 -19.857 -18.007 727 HZ2 LYS 94 1HZ LYS 94 1.817 -21.257 -17.755 728 HZ3 LYS 94 2HZ LYS 94 1.002 -19.855 -18.054 729 H LEU 95 HN LEU 95 -0.372 -18.203 -12.049 730 HA LEU 95 HA LEU 95 -0.767 -19.947 -9.858 731 HB2 LEU 95 2HB LEU 95 -2.372 -18.350 -11.159 732 HB3 LEU 95 3HB LEU 95 -2.644 -19.765 -12.204 733 HG LEU 95 HG LEU 95 -3.117 -20.963 -9.929 734 HD11 LEU 95 1HD1 LEU 95 -4.195 -19.493 -8.281 735 HD12 LEU 95 2HD1 LEU 95 -2.479 -19.083 -8.506 736 HD13 LEU 95 3HD1 LEU 95 -3.742 -18.076 -9.256 737 HD21 LEU 95 3HD2 LEU 95 -4.706 -20.699 -11.765 738 HD22 LEU 95 1HD2 LEU 95 -5.502 -20.444 -10.194 739 HD23 LEU 95 2HD2 LEU 95 -5.082 -19.048 -11.213 740 H GLU 96 HN GLU 96 -1.783 -22.122 -9.973 741 HA GLU 96 HA GLU 96 -0.145 -23.987 -11.307 742 HB2 GLU 96 2HB GLU 96 -3.017 -24.442 -10.451 743 HB3 GLU 96 3HB GLU 96 -1.714 -25.647 -10.581 744 HG2 GLU 96 2HG GLU 96 -0.528 -24.575 -8.735 745 HG3 GLU 96 3HG GLU 96 -1.810 -23.350 -8.613 746 HE2 GLU 96 2HE GLU 96 -2.314 -26.399 -6.445 747 H GLU 97 HN GLU 97 0.024 -24.404 -13.407 748 HA GLU 97 HA GLU 97 -1.920 -23.513 -15.316 749 HB2 GLU 97 2HB GLU 97 0.337 -25.515 -15.638 750 HB3 GLU 97 3HB GLU 97 -0.536 -24.686 -16.949 751 HG2 GLU 97 2HG GLU 97 0.277 -22.515 -16.047 752 HG3 GLU 97 3HG GLU 97 1.242 -23.413 -14.856 753 HE2 GLU 97 2HE GLU 97 3.624 -24.259 -17.242 754 H GLN 98 HN GLN 98 -3.909 -24.343 -15.266 755 HA GLN 98 HA GLN 98 -4.567 -26.847 -14.153 756 HB2 GLN 98 2HB GLN 98 -6.119 -25.194 -16.165 757 HB3 GLN 98 3HB GLN 98 -6.781 -26.488 -15.138 758 HG2 GLN 98 2HG GLN 98 -5.586 -23.874 -14.176 759 HG3 GLN 98 3HG GLN 98 -7.316 -24.273 -14.254 760 HE21 GLN 98 1HE2 GLN 98 -4.293 -24.760 -12.549 761 HE22 GLN 98 2HE2 GLN 98 -4.979 -25.566 -11.153 762 H LYS 99 HN LYS 99 -4.082 -28.772 -14.835 763 HA LYS 99 HA LYS 99 -3.417 -29.272 -17.635 764 HB2 LYS 99 2HB LYS 99 -2.108 -30.232 -15.782 765 HB3 LYS 99 3HB LYS 99 -3.552 -31.109 -15.221 766 HG2 LYS 99 2HG LYS 99 -3.582 -32.379 -17.329 767 HG3 LYS 99 3HG LYS 99 -2.114 -31.522 -17.855 768 HD2 LYS 99 2HD LYS 99 -0.889 -32.409 -15.926 769 HD3 LYS 99 3HD LYS 99 -2.359 -33.244 -15.367 770 HE2 LYS 99 2HE LYS 99 -2.379 -34.575 -17.440 771 HE3 LYS 99 3HE LYS 99 -0.898 -33.754 -17.976 772 HZ1 LYS 99 3HZ LYS 99 -1.155 -35.417 -15.558 773 HZ2 LYS 99 1HZ LYS 99 -0.422 -35.871 -16.962 774 HZ3 LYS 99 2HZ LYS 99 0.220 -34.654 -16.056 775 H GLY 100 HN GLY 100 -5.079 -29.432 -19.027 776 HA2 GLY 100 1HA GLY 100 -7.278 -31.276 -18.229 777 HA3 GLY 100 2HA GLY 100 -7.609 -29.717 -19.018 778 H SER 101 HN SER 101 -8.729 -31.408 -20.452 779 HA SER 101 HA SER 101 -6.896 -31.865 -22.720 780 HB2 SER 101 2HB SER 101 -8.779 -33.987 -21.623 781 HB3 SER 101 3HB SER 101 -7.766 -34.127 -23.079 782 HG SER 101 HG SER 101 -6.798 -35.093 -21.227 Start of MODEL 20 1 H1 MET 1 HN MET 1 13.588 6.628 -36.295 2 HA MET 1 HA MET 1 13.272 7.153 -33.521 3 HB2 MET 1 2HB MET 1 15.141 5.945 -32.531 4 HB3 MET 1 3HB MET 1 13.960 4.804 -33.217 5 HG2 MET 1 2HG MET 1 15.380 4.402 -35.128 6 HG3 MET 1 3HG MET 1 16.514 5.658 -34.604 7 HE1 MET 1 3HE MET 1 16.589 5.157 -31.447 8 HE2 MET 1 1HE MET 1 18.004 4.088 -31.317 9 HE3 MET 1 2HE MET 1 18.035 5.471 -32.435 10 H GLY 2 HN GLY 2 14.610 8.811 -32.844 11 HA2 GLY 2 1HA GLY 2 16.727 9.604 -34.796 12 HA3 GLY 2 2HA GLY 2 15.701 10.767 -33.926 13 H SER 3 HN SER 3 18.611 9.001 -33.914 14 HA SER 3 HA SER 3 18.960 8.826 -31.051 15 HB2 SER 3 2HB SER 3 21.052 8.708 -33.253 16 HB3 SER 3 3HB SER 3 21.204 8.087 -31.591 17 HG SER 3 HG SER 3 20.668 6.441 -33.109 18 H SER 4 HN SER 4 20.176 11.024 -33.613 19 HA SER 4 HA SER 4 21.627 12.636 -31.672 20 HB2 SER 4 2HB SER 4 20.916 13.233 -34.568 21 HB3 SER 4 3HB SER 4 22.148 14.060 -33.582 22 HG SER 4 HG SER 4 23.039 12.433 -34.940 23 H HIS 5 HN HIS 5 18.417 12.536 -32.991 24 HA HIS 5 HA HIS 5 17.623 14.775 -31.308 25 HB2 HIS 5 2HB HIS 5 16.522 16.000 -33.210 26 HB3 HIS 5 3HB HIS 5 18.293 16.098 -33.164 27 HD1 HIS 5 1HD HIS 5 15.494 15.291 -35.371 28 HD2 HIS 5 2HD HIS 5 19.554 14.327 -35.152 29 HE1 HIS 5 1HE HIS 5 16.139 14.413 -37.662 30 HE2 HIS 5 2HE HIS 5 18.607 13.832 -37.521 31 H HIS 6 HN HIS 6 16.246 13.468 -30.236 32 HA HIS 6 HA HIS 6 14.359 11.762 -31.665 33 HB2 HIS 6 2HB HIS 6 15.430 11.429 -29.307 34 HB3 HIS 6 3HB HIS 6 14.157 12.533 -28.755 35 HD1 HIS 6 1HD HIS 6 11.991 11.456 -28.137 36 HD2 HIS 6 2HD HIS 6 14.273 9.074 -30.705 37 HE1 HIS 6 1HE HIS 6 10.749 9.255 -28.356 38 HE2 HIS 6 2HE HIS 6 12.139 7.818 -29.916 39 H HIS 7 HN HIS 7 14.463 14.942 -30.197 40 HA HIS 7 HA HIS 7 12.434 15.990 -31.844 41 HB2 HIS 7 2HB HIS 7 11.083 14.506 -30.128 42 HB3 HIS 7 3HB HIS 7 11.385 15.865 -29.028 43 HD1 HIS 7 1HD HIS 7 9.909 17.899 -29.274 44 HD2 HIS 7 2HD HIS 7 9.587 15.265 -32.500 45 HE1 HIS 7 1HE HIS 7 8.000 18.759 -30.701 46 HE2 HIS 7 2HE HIS 7 7.809 17.158 -32.661 47 H HIS 8 HN HIS 8 13.431 16.219 -28.408 48 HA HIS 8 HA HIS 8 14.594 18.909 -29.018 49 HB2 HIS 8 2HB HIS 8 12.636 18.841 -27.398 50 HB3 HIS 8 3HB HIS 8 13.659 17.871 -26.320 51 HD1 HIS 8 1HD HIS 8 15.453 19.082 -24.963 52 HD2 HIS 8 2HD HIS 8 13.400 21.569 -27.620 53 HE1 HIS 8 1HE HIS 8 16.060 21.455 -24.320 54 HE2 HIS 8 2HE HIS 8 14.814 22.965 -25.937 55 H HIS 9 HN HIS 9 16.338 17.352 -29.827 56 HA HIS 9 HA HIS 9 18.191 16.050 -29.618 57 HB2 HIS 9 2HB HIS 9 18.276 17.529 -27.002 58 HB3 HIS 9 3HB HIS 9 19.433 16.224 -27.328 59 HD1 HIS 9 1HD HIS 9 18.704 19.776 -28.082 60 HD2 HIS 9 2HD HIS 9 21.189 16.750 -29.541 61 HE1 HIS 9 1HE HIS 9 20.456 20.924 -29.509 62 HE2 HIS 9 2HE HIS 9 21.958 19.080 -30.394 63 H HIS 10 HN HIS 10 17.426 15.754 -26.168 64 HA HIS 10 HA HIS 10 16.226 13.095 -26.683 65 HB2 HIS 10 2HB HIS 10 18.585 13.686 -24.897 66 HB3 HIS 10 3HB HIS 10 17.500 12.324 -24.569 67 HD1 HIS 10 1HD HIS 10 17.691 10.262 -26.030 68 HD2 HIS 10 2HD HIS 10 20.153 13.400 -27.263 69 HE1 HIS 10 1HE HIS 10 19.267 9.285 -27.752 70 HE2 HIS 10 2HE HIS 10 20.758 11.196 -28.509 71 H SER 11 HN SER 11 17.212 14.085 -23.500 72 HA SER 11 HA SER 11 14.918 15.550 -22.693 73 HB2 SER 11 2HB SER 11 13.819 13.335 -23.268 74 HB3 SER 11 3HB SER 11 14.785 12.599 -21.966 75 HG SER 11 HG SER 11 12.688 13.232 -21.268 76 H SER 12 HN SER 12 14.982 15.989 -20.402 77 HA SER 12 HA SER 12 17.639 15.611 -19.257 78 HB2 SER 12 2HB SER 12 15.148 16.864 -18.040 79 HB3 SER 12 3HB SER 12 16.821 17.037 -17.460 80 HG SER 12 HG SER 12 16.135 18.823 -18.744 81 H GLY 13 HN GLY 13 18.093 13.609 -18.533 82 HA2 GLY 13 1HA GLY 13 15.930 11.951 -17.465 83 HA3 GLY 13 2HA GLY 13 17.605 11.453 -17.798 84 H ARG 14 HN ARG 14 18.843 13.602 -16.271 85 HA ARG 14 HA ARG 14 18.698 12.284 -13.689 86 HB2 ARG 14 2HB ARG 14 20.234 14.753 -14.548 87 HB3 ARG 14 3HB ARG 14 20.435 13.885 -13.008 88 HG2 ARG 14 2HG ARG 14 21.076 11.854 -14.343 89 HG3 ARG 14 3HG ARG 14 21.082 12.890 -15.790 90 HD2 ARG 14 2HD ARG 14 22.715 14.389 -14.612 91 HD3 ARG 14 3HD ARG 14 22.797 13.186 -13.307 92 HE ARG 14 HE ARG 14 23.422 12.314 -16.061 93 HH11 ARG 14 2HH1 ARG 14 24.393 12.872 -12.730 94 HH12 ARG 14 1HH1 ARG 14 26.002 12.223 -12.952 95 HH21 ARG 14 2HH2 ARG 14 25.571 11.561 -16.370 96 HH22 ARG 14 1HH2 ARG 14 26.668 11.482 -15.011 97 H GLU 15 HN GLU 15 16.464 12.721 -13.178 98 HA GLU 15 HA GLU 15 16.294 15.299 -11.721 99 HB2 GLU 15 2HB GLU 15 15.014 15.382 -13.924 100 HB3 GLU 15 3HB GLU 15 13.945 14.136 -13.239 101 HG2 GLU 15 2HG GLU 15 13.409 15.661 -11.370 102 HG3 GLU 15 3HG GLU 15 14.425 16.910 -12.122 103 HE2 GLU 15 2HE GLU 15 10.793 16.299 -13.534 104 H ASN 16 HN ASN 16 16.812 12.305 -11.263 105 HA ASN 16 HA ASN 16 14.527 11.412 -9.710 106 HB2 ASN 16 2HB ASN 16 16.144 9.882 -10.858 107 HB3 ASN 16 3HB ASN 16 17.384 10.383 -9.688 108 HD21 ASN 16 1HD2 ASN 16 14.384 8.613 -10.177 109 HD22 ASN 16 2HD2 ASN 16 14.426 7.732 -8.664 110 H LEU 17 HN LEU 17 14.013 12.737 -8.054 111 HA LEU 17 HA LEU 17 16.223 13.506 -6.208 112 HB2 LEU 17 2HB LEU 17 14.612 15.431 -5.636 113 HB3 LEU 17 3HB LEU 17 15.515 15.500 -7.168 114 HG LEU 17 HG LEU 17 13.415 14.551 -8.265 115 HD11 LEU 17 1HD1 LEU 17 11.281 14.976 -7.117 116 HD12 LEU 17 2HD1 LEU 17 12.272 13.792 -6.236 117 HD13 LEU 17 3HD1 LEU 17 12.168 15.473 -5.658 118 HD21 LEU 17 3HD2 LEU 17 14.158 16.872 -8.507 119 HD22 LEU 17 1HD2 LEU 17 12.383 16.776 -8.438 120 HD23 LEU 17 2HD2 LEU 17 13.299 17.310 -7.010 121 H TYR 18 HN TYR 18 14.299 11.107 -6.250 122 HA TYR 18 HA TYR 18 13.262 11.607 -3.506 123 HB2 TYR 18 2HB TYR 18 11.462 11.371 -5.225 124 HB3 TYR 18 3HB TYR 18 12.049 9.733 -5.557 125 HD1 TYR 18 1HD TYR 18 10.421 11.893 -3.029 126 HD2 TYR 18 2HD TYR 18 11.576 7.913 -4.028 127 HE1 TYR 18 1HE TYR 18 9.074 11.033 -1.165 128 HE2 TYR 18 2HE TYR 18 10.212 7.053 -2.177 129 HH TYR 18 HH TYR 18 8.834 7.555 -0.440 130 H PHE 19 HN PHE 19 15.268 10.887 -2.671 131 HA PHE 19 HA PHE 19 15.174 7.934 -2.347 132 HB2 PHE 19 2HB PHE 19 17.091 8.644 -3.859 133 HB3 PHE 19 3HB PHE 19 17.760 9.520 -2.472 134 HD1 PHE 19 2HD PHE 19 16.360 6.110 -3.164 135 HD2 PHE 19 1HD PHE 19 19.445 8.418 -1.347 136 HE1 PHE 19 2HE PHE 19 17.432 4.048 -2.373 137 HE2 PHE 19 1HE PHE 19 20.520 6.357 -0.551 138 HZ PHE 19 HZ PHE 19 19.530 4.166 -1.085 139 H GLN 20 HN GLN 20 14.202 10.460 -1.006 140 HA GLN 20 HA GLN 20 15.788 10.746 1.406 141 HB2 GLN 20 2HB GLN 20 14.405 12.550 0.329 142 HB3 GLN 20 3HB GLN 20 12.952 11.665 0.850 143 HG2 GLN 20 2HG GLN 20 13.490 13.528 2.349 144 HG3 GLN 20 3HG GLN 20 13.570 11.957 3.177 145 HE21 GLN 20 1HE2 GLN 20 15.518 11.210 3.986 146 HE22 GLN 20 2HE2 GLN 20 16.964 12.196 4.034 147 H GLY 21 HN GLY 21 15.883 9.121 2.831 148 HA2 GLY 21 1HA GLY 21 14.798 8.003 4.652 149 HA3 GLY 21 2HA GLY 21 13.293 7.964 3.707 150 H HIS 22 HN HIS 22 15.953 6.186 4.748 151 HA HIS 22 HA HIS 22 15.247 4.019 2.867 152 HB2 HIS 22 2HB HIS 22 17.238 5.329 1.976 153 HB3 HIS 22 3HB HIS 22 18.130 4.787 3.409 154 HD1 HIS 22 1HD HIS 22 19.579 2.845 2.898 155 HD2 HIS 22 2HD HIS 22 16.063 2.807 0.639 156 HE1 HIS 22 1HE HIS 22 19.710 0.793 1.418 157 HE2 HIS 22 2HE HIS 22 17.575 0.776 0.047 158 H MET 23 HN MET 23 14.333 2.802 4.454 159 HA MET 23 HA MET 23 16.180 1.759 6.529 160 HB2 MET 23 2HB MET 23 14.723 3.669 7.408 161 HB3 MET 23 3HB MET 23 13.334 2.586 7.152 162 HG2 MET 23 2HG MET 23 15.692 1.833 8.881 163 HG3 MET 23 3HG MET 23 14.295 2.724 9.507 164 HE1 MET 23 3HE MET 23 13.810 0.912 11.339 165 HE2 MET 23 1HE MET 23 13.696 -0.832 11.013 166 HE3 MET 23 2HE MET 23 15.246 0.012 10.797 167 H ALA 24 HN ALA 24 16.164 -0.402 6.437 168 HA ALA 24 HA ALA 24 13.864 -1.661 5.027 169 HB1 ALA 24 1HB ALA 24 15.453 -3.420 4.369 170 HB2 ALA 24 2HB ALA 24 16.008 -1.813 3.842 171 HB3 ALA 24 3HB ALA 24 16.745 -2.586 5.266 172 H ALA 25 HN ALA 25 13.613 -4.050 5.575 173 HA ALA 25 HA ALA 25 12.964 -5.623 7.084 174 HB1 ALA 25 1HB ALA 25 14.366 -6.025 9.068 175 HB2 ALA 25 2HB ALA 25 15.356 -5.759 7.614 176 HB3 ALA 25 3HB ALA 25 15.170 -4.458 8.815 177 H ARG 26 HN ARG 26 11.392 -3.397 6.973 178 HA ARG 26 HA ARG 26 10.297 -3.419 9.710 179 HB2 ARG 26 2HB ARG 26 11.763 -1.370 9.455 180 HB3 ARG 26 3HB ARG 26 10.647 -0.825 8.180 181 HG2 ARG 26 2HG ARG 26 10.087 0.257 10.275 182 HG3 ARG 26 3HG ARG 26 8.791 -0.878 9.824 183 HD2 ARG 26 2HD ARG 26 9.857 -2.577 11.329 184 HD3 ARG 26 3HD ARG 26 10.990 -1.317 11.866 185 HE ARG 26 HE ARG 26 8.315 -0.390 12.185 186 HH11 ARG 26 2HH1 ARG 26 10.650 -2.653 13.542 187 HH12 ARG 26 1HH1 ARG 26 9.925 -2.649 15.133 188 HH21 ARG 26 2HH2 ARG 26 7.354 -0.424 14.274 189 HH22 ARG 26 1HH2 ARG 26 8.063 -1.390 15.547 190 H ILE 27 HN ILE 27 8.200 -3.842 9.621 191 HA ILE 27 HA ILE 27 6.864 -3.644 6.995 192 HB ILE 27 HB ILE 27 5.942 -5.005 9.561 193 HG12 ILE 27 2HG1 ILE 27 7.153 -6.195 7.043 194 HG13 ILE 27 3HG1 ILE 27 7.991 -6.004 8.602 195 HG21 ILE 27 1HG2 ILE 27 4.290 -6.114 8.107 196 HG22 ILE 27 2HG2 ILE 27 4.093 -4.346 8.080 197 HG23 ILE 27 3HG2 ILE 27 4.883 -5.174 6.717 198 HD11 ILE 27 3HD1 ILE 27 5.542 -7.714 8.097 199 HD12 ILE 27 1HD1 ILE 27 7.202 -8.315 8.292 200 HD13 ILE 27 2HD1 ILE 27 6.382 -7.524 9.655 201 H THR 28 HN THR 28 5.774 -1.833 6.588 202 HA THR 28 HA THR 28 4.502 -0.414 8.854 203 HB THR 28 HB THR 28 5.887 0.966 7.374 204 HG1 THR 28 1HG THR 28 4.259 2.523 6.865 205 HG21 THR 28 3HG2 THR 28 3.969 0.142 5.166 206 HG22 THR 28 1HG2 THR 28 5.257 1.359 5.021 207 HG23 THR 28 2HG2 THR 28 5.675 -0.345 5.306 208 H GLY 29 HN GLY 29 2.305 -0.244 9.092 209 HA2 GLY 29 1HA GLY 29 0.751 -1.887 7.148 210 HA3 GLY 29 2HA GLY 29 0.385 -1.740 8.882 211 H GLU 30 HN GLU 30 0.465 0.926 9.355 212 HA GLU 30 HA GLU 30 -1.668 1.950 7.539 213 HB2 GLU 30 2HB GLU 30 -1.332 2.377 10.526 214 HB3 GLU 30 3HB GLU 30 -2.538 3.196 9.505 215 HG2 GLU 30 2HG GLU 30 -3.705 1.475 10.580 216 HG3 GLU 30 3HG GLU 30 -3.413 0.880 8.932 217 HE2 GLU 30 2HE GLU 30 -1.202 -0.835 11.777 218 HA PRO 31 HA PRO 31 1.562 5.156 7.473 219 HB2 PRO 31 2HB PRO 31 2.057 5.140 4.782 220 HB3 PRO 31 3HB PRO 31 2.700 3.882 5.886 221 HG2 PRO 31 2HG PRO 31 0.524 3.700 3.920 222 HG3 PRO 31 3HG PRO 31 1.602 2.410 4.546 223 HD2 PRO 31 2HD PRO 31 -1.101 3.092 5.348 224 HD3 PRO 31 3HD PRO 31 -0.039 1.813 6.011 225 H SER 32 HN SER 32 1.595 7.313 6.587 226 HA SER 32 HA SER 32 -1.049 8.400 6.064 227 HB2 SER 32 2HB SER 32 1.678 9.732 5.860 228 HB3 SER 32 3HB SER 32 0.098 10.542 5.996 229 HG SER 32 HG SER 32 1.204 10.402 8.008 230 H LYS 33 HN LYS 33 1.942 7.828 4.226 231 HA LYS 33 HA LYS 33 0.740 8.755 1.724 232 HB2 LYS 33 2HB LYS 33 3.176 8.999 2.345 233 HB3 LYS 33 3HB LYS 33 3.323 7.232 2.192 234 HG2 LYS 33 2HG LYS 33 4.136 8.302 0.187 235 HG3 LYS 33 3HG LYS 33 2.642 7.406 -0.173 236 HD2 LYS 33 2HD LYS 33 1.358 9.384 -0.304 237 HD3 LYS 33 3HD LYS 33 2.630 10.357 0.474 238 HE2 LYS 33 2HE LYS 33 2.901 9.017 -2.236 239 HE3 LYS 33 3HE LYS 33 2.446 10.717 -1.995 240 HZ1 LYS 33 3HZ LYS 33 4.977 9.481 -1.127 241 HZ2 LYS 33 1HZ LYS 33 4.792 10.477 -2.426 242 HZ3 LYS 33 2HZ LYS 33 4.554 11.059 -0.903 243 H LYS 34 HN LYS 34 0.308 7.361 -0.090 244 HA LYS 34 HA LYS 34 -1.133 5.044 0.598 245 HB2 LYS 34 2HB LYS 34 0.082 5.845 -2.059 246 HB3 LYS 34 3HB LYS 34 -1.079 4.515 -1.837 247 HG2 LYS 34 2HG LYS 34 -2.668 6.233 -0.872 248 HG3 LYS 34 3HG LYS 34 -1.534 7.475 -1.454 249 HD2 LYS 34 2HD LYS 34 -1.739 6.563 -3.744 250 HD3 LYS 34 3HD LYS 34 -2.911 5.364 -3.146 251 HE2 LYS 34 2HE LYS 34 -4.169 7.131 -4.116 252 HE3 LYS 34 3HE LYS 34 -4.327 7.293 -2.354 253 HZ1 LYS 34 3HZ LYS 34 -2.502 8.850 -4.060 254 HZ2 LYS 34 1HZ LYS 34 -3.910 9.402 -3.407 255 HZ3 LYS 34 2HZ LYS 34 -2.650 9.000 -2.424 256 H ALA 35 HN ALA 35 -0.732 2.908 0.646 257 HA ALA 35 HA ALA 35 2.072 2.059 0.117 258 HB1 ALA 35 1HB ALA 35 1.742 0.333 1.840 259 HB2 ALA 35 2HB ALA 35 1.517 1.967 2.508 260 HB3 ALA 35 3HB ALA 35 0.101 0.950 2.144 261 H VAL 36 HN VAL 36 1.835 -0.619 0.082 262 HA VAL 36 HA VAL 36 0.092 -1.008 -2.275 263 HB VAL 36 HB VAL 36 2.546 -1.581 -2.350 264 HG11 VAL 36 1HG1 VAL 36 3.290 -3.681 -1.324 265 HG12 VAL 36 2HG1 VAL 36 2.771 -2.499 -0.101 266 HG13 VAL 36 3HG1 VAL 36 1.704 -3.856 -0.539 267 HG21 VAL 36 3HG2 VAL 36 0.955 -2.492 -3.959 268 HG22 VAL 36 1HG2 VAL 36 2.227 -3.677 -3.584 269 HG23 VAL 36 2HG2 VAL 36 0.611 -3.852 -2.863 270 H SER 37 HN SER 37 0.167 -1.535 1.033 271 HA SER 37 HA SER 37 -1.130 -2.672 2.498 272 HB2 SER 37 2HB SER 37 -2.859 -3.275 0.078 273 HB3 SER 37 3HB SER 37 -3.324 -3.529 1.778 274 HG SER 37 HG SER 37 -4.079 -1.521 0.939 275 H ASP 38 HN ASP 38 -0.798 -4.529 3.516 276 HA ASP 38 HA ASP 38 0.656 -6.607 2.096 277 HB2 ASP 38 2HB ASP 38 0.958 -7.608 4.277 278 HB3 ASP 38 3HB ASP 38 1.221 -5.855 4.408 279 HD2 ASP 38 2HD ASP 38 -1.636 -7.494 6.529 280 H ARG 39 HN ARG 39 -2.599 -5.962 2.402 281 HA ARG 39 HA ARG 39 -3.606 -8.591 2.998 282 HB2 ARG 39 2HB ARG 39 -4.951 -6.568 3.311 283 HB3 ARG 39 3HB ARG 39 -4.904 -6.253 1.560 284 HG2 ARG 39 2HG ARG 39 -6.172 -8.274 1.124 285 HG3 ARG 39 3HG ARG 39 -6.141 -8.700 2.852 286 HD2 ARG 39 2HD ARG 39 -7.367 -6.151 1.777 287 HD3 ARG 39 3HD ARG 39 -8.282 -7.655 2.017 288 HE ARG 39 HE ARG 39 -6.816 -6.711 4.363 289 HH11 ARG 39 2HH1 ARG 39 -9.835 -6.701 2.553 290 HH12 ARG 39 1HH1 ARG 39 -10.809 -6.232 3.928 291 HH21 ARG 39 2HH2 ARG 39 -8.099 -6.091 6.161 292 HH22 ARG 39 1HH2 ARG 39 -9.827 -5.887 5.973 293 H LEU 40 HN LEU 40 -2.200 -7.167 0.180 294 HA LEU 40 HA LEU 40 -3.565 -8.775 -1.776 295 HB2 LEU 40 2HB LEU 40 -0.887 -7.359 -1.864 296 HB3 LEU 40 3HB LEU 40 -1.695 -8.103 -3.265 297 HG LEU 40 HG LEU 40 -2.701 -5.754 -1.633 298 HD11 LEU 40 1HD1 LEU 40 -2.335 -4.483 -3.708 299 HD12 LEU 40 2HD1 LEU 40 -0.824 -5.212 -3.116 300 HD13 LEU 40 3HD1 LEU 40 -1.690 -5.945 -4.488 301 HD21 LEU 40 3HD2 LEU 40 -4.548 -7.171 -2.415 302 HD22 LEU 40 1HD2 LEU 40 -4.513 -5.626 -3.295 303 HD23 LEU 40 2HD2 LEU 40 -3.903 -7.106 -4.072 304 H ILE 41 HN ILE 41 -1.014 -9.380 0.488 305 HA ILE 41 HA ILE 41 0.266 -11.511 -0.947 306 HB ILE 41 HB ILE 41 0.137 -10.985 2.050 307 HG12 ILE 41 2HG1 ILE 41 1.083 -9.112 0.817 308 HG13 ILE 41 3HG1 ILE 41 2.353 -9.966 1.726 309 HG21 ILE 41 1HG2 ILE 41 2.156 -12.393 2.181 310 HG22 ILE 41 2HG2 ILE 41 0.770 -13.305 1.539 311 HG23 ILE 41 3HG2 ILE 41 2.039 -12.720 0.436 312 HD11 ILE 41 3HD1 ILE 41 1.789 -10.251 -1.235 313 HD12 ILE 41 1HD1 ILE 41 3.135 -9.339 -0.519 314 HD13 ILE 41 2HD1 ILE 41 3.059 -11.103 -0.324 315 H GLY 42 HN GLY 42 -0.549 -13.413 -1.460 316 HA2 GLY 42 1HA GLY 42 -1.456 -15.517 -0.840 317 HA3 GLY 42 2HA GLY 42 -2.338 -14.733 0.491 318 H ARG 43 HN ARG 43 -2.578 -12.838 -2.279 319 HA ARG 43 HA ARG 43 -5.276 -13.975 -2.797 320 HB2 ARG 43 2HB ARG 43 -4.156 -11.224 -3.410 321 HB3 ARG 43 3HB ARG 43 -5.816 -11.774 -3.740 322 HG2 ARG 43 2HG ARG 43 -4.548 -11.481 -1.008 323 HG3 ARG 43 3HG ARG 43 -5.701 -10.351 -1.758 324 HD2 ARG 43 2HD ARG 43 -7.141 -11.569 -0.462 325 HD3 ARG 43 3HD ARG 43 -7.185 -12.538 -1.951 326 HE ARG 43 HE ARG 43 -5.750 -14.161 -0.907 327 HH11 ARG 43 2HH1 ARG 43 -6.991 -11.633 1.212 328 HH12 ARG 43 1HH1 ARG 43 -6.661 -12.523 2.682 329 HH21 ARG 43 2HH2 ARG 43 -5.300 -15.314 1.018 330 HH22 ARG 43 1HH2 ARG 43 -5.700 -14.615 2.571 331 H LYS 44 HN LYS 44 -6.081 -13.970 -4.982 332 HA LYS 44 HA LYS 44 -4.007 -14.727 -6.921 333 HB2 LYS 44 2HB LYS 44 -6.106 -16.053 -6.596 334 HB3 LYS 44 3HB LYS 44 -7.034 -14.657 -7.197 335 HG2 LYS 44 2HG LYS 44 -5.672 -14.819 -9.322 336 HG3 LYS 44 3HG LYS 44 -5.058 -16.373 -8.709 337 HD2 LYS 44 2HD LYS 44 -7.976 -15.683 -9.170 338 HD3 LYS 44 3HD LYS 44 -6.959 -16.666 -10.250 339 HE2 LYS 44 2HE LYS 44 -6.632 -18.301 -8.433 340 HE3 LYS 44 3HE LYS 44 -7.679 -17.326 -7.378 341 HZ1 LYS 44 3HZ LYS 44 -8.500 -18.597 -9.904 342 HZ2 LYS 44 1HZ LYS 44 -8.877 -19.135 -8.393 343 HZ3 LYS 44 2HZ LYS 44 -9.471 -17.692 -8.925 344 H GLY 45 HN GLY 45 -3.910 -13.800 -9.057 345 HA2 GLY 45 1HA GLY 45 -5.334 -11.262 -9.467 346 HA3 GLY 45 2HA GLY 45 -3.558 -11.187 -9.396 347 H VAL 46 HN VAL 46 -5.030 -10.423 -11.657 348 HA VAL 46 HA VAL 46 -4.382 -12.631 -13.553 349 HB VAL 46 HB VAL 46 -6.763 -11.978 -13.568 350 HG11 VAL 46 1HG1 VAL 46 -7.465 -9.748 -14.333 351 HG12 VAL 46 2HG1 VAL 46 -6.529 -9.656 -12.824 352 HG13 VAL 46 3HG1 VAL 46 -5.765 -9.229 -14.374 353 HG21 VAL 46 3HG2 VAL 46 -5.734 -12.757 -15.643 354 HG22 VAL 46 1HG2 VAL 46 -7.002 -11.555 -15.974 355 HG23 VAL 46 2HG2 VAL 46 -5.290 -11.083 -16.059 356 H VAL 47 HN VAL 47 -3.130 -12.174 -15.380 357 HA VAL 47 HA VAL 47 -1.331 -9.899 -14.952 358 HB VAL 47 HB VAL 47 -1.177 -12.099 -17.046 359 HG11 VAL 47 1HG1 VAL 47 1.198 -11.472 -17.175 360 HG12 VAL 47 2HG1 VAL 47 0.140 -10.102 -17.583 361 HG13 VAL 47 3HG1 VAL 47 0.920 -10.179 -15.985 362 HG21 VAL 47 3HG2 VAL 47 -1.165 -13.039 -14.778 363 HG22 VAL 47 1HG2 VAL 47 0.437 -13.186 -15.537 364 HG23 VAL 47 2HG2 VAL 47 0.144 -11.925 -14.317 365 H MET 48 HN MET 48 -1.671 -7.998 -15.878 366 HA MET 48 HA MET 48 -3.309 -7.901 -18.347 367 HB2 MET 48 2HB MET 48 -2.515 -5.755 -16.357 368 HB3 MET 48 3HB MET 48 -3.457 -5.463 -17.840 369 HG2 MET 48 2HG MET 48 -4.374 -7.426 -15.748 370 HG3 MET 48 3HG MET 48 -4.704 -5.692 -15.596 371 HE1 MET 48 3HE MET 48 -5.737 -9.053 -17.211 372 HE2 MET 48 1HE MET 48 -6.575 -8.586 -18.705 373 HE3 MET 48 2HE MET 48 -4.815 -8.388 -18.580 374 H GLU 49 HN GLU 49 -0.095 -7.325 -17.086 375 HA GLU 49 HA GLU 49 0.731 -6.677 -19.875 376 HB2 GLU 49 2HB GLU 49 0.840 -4.642 -18.463 377 HB3 GLU 49 3HB GLU 49 1.934 -5.501 -17.350 378 HG2 GLU 49 2HG GLU 49 3.129 -3.995 -18.894 379 HG3 GLU 49 3HG GLU 49 3.612 -5.695 -19.080 380 HE2 GLU 49 2HE GLU 49 1.763 -3.899 -22.091 381 H ALA 50 HN ALA 50 2.424 -7.823 -20.628 382 HA ALA 50 HA ALA 50 2.847 -10.344 -19.491 383 HB1 ALA 50 1HB ALA 50 4.600 -10.623 -21.194 384 HB2 ALA 50 2HB ALA 50 3.152 -9.843 -21.871 385 HB3 ALA 50 3HB ALA 50 4.592 -8.870 -21.486 386 H ILE 51 HN ILE 51 4.161 -11.201 -18.057 387 HA ILE 51 HA ILE 51 6.252 -9.435 -16.908 388 HB ILE 51 HB ILE 51 4.997 -11.952 -15.735 389 HG12 ILE 51 2HG1 ILE 51 4.553 -9.022 -15.068 390 HG13 ILE 51 3HG1 ILE 51 3.398 -10.095 -15.894 391 HG21 ILE 51 1HG2 ILE 51 6.144 -11.271 -13.661 392 HG22 ILE 51 2HG2 ILE 51 7.304 -11.556 -14.979 393 HG23 ILE 51 3HG2 ILE 51 6.873 -9.892 -14.516 394 HD11 ILE 51 3HD1 ILE 51 4.404 -10.411 -13.056 395 HD12 ILE 51 1HD1 ILE 51 2.804 -9.801 -13.526 396 HD13 ILE 51 2HD1 ILE 51 3.247 -11.483 -13.882 397 H SER 52 HN SER 52 8.208 -9.784 -17.678 398 HA SER 52 HA SER 52 8.838 -12.510 -18.691 399 HB2 SER 52 2HB SER 52 10.583 -11.258 -20.056 400 HB3 SER 52 3HB SER 52 8.886 -10.930 -20.484 401 HG SER 52 HG SER 52 10.147 -9.010 -20.310 402 HA PRO 53 HA PRO 53 12.247 -13.026 -15.906 403 HB2 PRO 53 2HB PRO 53 14.050 -13.508 -18.260 404 HB3 PRO 53 3HB PRO 53 13.621 -14.573 -16.882 405 HG2 PRO 53 2HG PRO 53 12.679 -14.951 -19.362 406 HG3 PRO 53 3HG PRO 53 11.773 -15.429 -17.889 407 HD2 PRO 53 2HD PRO 53 11.370 -13.138 -19.783 408 HD3 PRO 53 3HD PRO 53 10.178 -14.028 -18.790 409 H GLN 54 HN GLN 54 12.442 -10.831 -18.618 410 HA GLN 54 HA GLN 54 14.839 -9.512 -17.511 411 HB2 GLN 54 2HB GLN 54 14.738 -9.876 -19.931 412 HB3 GLN 54 3HB GLN 54 13.214 -8.959 -20.016 413 HG2 GLN 54 2HG GLN 54 14.439 -6.961 -19.163 414 HG3 GLN 54 3HG GLN 54 15.947 -7.896 -19.253 415 HE21 GLN 54 1HE2 GLN 54 15.138 -5.412 -20.640 416 HE22 GLN 54 2HE2 GLN 54 15.281 -5.756 -22.350 417 H ASN 55 HN ASN 55 11.546 -8.518 -18.608 418 HA ASN 55 HA ASN 55 11.787 -6.229 -16.704 419 HB2 ASN 55 2HB ASN 55 11.636 -5.882 -19.295 420 HB3 ASN 55 3HB ASN 55 9.920 -6.285 -19.074 421 HD21 ASN 55 1HD2 ASN 55 10.981 -3.785 -20.025 422 HD22 ASN 55 2HD2 ASN 55 10.492 -2.553 -18.880 423 H SER 56 HN SER 56 10.052 -5.724 -15.384 424 HA SER 56 HA SER 56 8.330 -7.948 -14.704 425 HB2 SER 56 2HB SER 56 8.350 -5.072 -13.714 426 HB3 SER 56 3HB SER 56 7.500 -6.439 -12.951 427 HG SER 56 HG SER 56 9.544 -6.006 -11.979 428 H GLY 57 HN GLY 57 5.900 -7.343 -14.197 429 HA2 GLY 57 1HA GLY 57 4.822 -5.936 -16.590 430 HA3 GLY 57 2HA GLY 57 4.248 -7.555 -16.134 431 H LEU 58 HN LEU 58 2.117 -6.675 -15.997 432 HA LEU 58 HA LEU 58 1.680 -5.150 -13.475 433 HB2 LEU 58 2HB LEU 58 0.295 -4.772 -16.148 434 HB3 LEU 58 3HB LEU 58 -0.226 -4.028 -14.617 435 HG LEU 58 HG LEU 58 2.437 -3.537 -15.970 436 HD11 LEU 58 1HD1 LEU 58 1.498 -1.341 -16.569 437 HD12 LEU 58 2HD1 LEU 58 0.569 -2.667 -17.303 438 HD13 LEU 58 3HD1 LEU 58 -0.066 -1.821 -15.871 439 HD21 LEU 58 3HD2 LEU 58 2.476 -3.245 -13.535 440 HD22 LEU 58 1HD2 LEU 58 2.615 -1.679 -14.367 441 HD23 LEU 58 2HD2 LEU 58 1.067 -2.163 -13.637 442 H VAL 59 HN VAL 59 0.191 -6.007 -12.145 443 HA VAL 59 HA VAL 59 -1.581 -8.099 -13.300 444 HB VAL 59 HB VAL 59 -1.701 -9.085 -11.019 445 HG11 VAL 59 1HG1 VAL 59 0.511 -10.152 -11.071 446 HG12 VAL 59 2HG1 VAL 59 -0.181 -10.000 -12.703 447 HG13 VAL 59 3HG1 VAL 59 1.096 -8.882 -12.169 448 HG21 VAL 59 3HG2 VAL 59 -1.115 -7.092 -9.720 449 HG22 VAL 59 1HG2 VAL 59 -0.037 -8.449 -9.323 450 HG23 VAL 59 2HG2 VAL 59 0.538 -7.139 -10.380 451 H LYS 60 HN LYS 60 -3.710 -8.188 -12.628 452 HA LYS 60 HA LYS 60 -4.693 -5.665 -11.386 453 HB2 LYS 60 2HB LYS 60 -5.296 -6.044 -13.772 454 HB3 LYS 60 3HB LYS 60 -6.112 -7.551 -13.292 455 HG2 LYS 60 2HG LYS 60 -7.662 -6.251 -11.890 456 HG3 LYS 60 3HG LYS 60 -6.858 -4.750 -12.409 457 HD2 LYS 60 2HD LYS 60 -7.442 -5.257 -14.750 458 HD3 LYS 60 3HD LYS 60 -8.269 -6.739 -14.213 459 HE2 LYS 60 2HE LYS 60 -9.779 -5.328 -12.818 460 HE3 LYS 60 3HE LYS 60 -9.005 -3.884 -13.505 461 HZ1 LYS 60 3HZ LYS 60 -10.439 -5.950 -15.034 462 HZ2 LYS 60 1HZ LYS 60 -11.017 -4.450 -14.666 463 HZ3 LYS 60 2HZ LYS 60 -9.720 -4.609 -15.671 464 H VAL 61 HN VAL 61 -5.425 -5.893 -9.401 465 HA VAL 61 HA VAL 61 -6.578 -8.522 -8.624 466 HB VAL 61 HB VAL 61 -5.465 -6.353 -6.806 467 HG11 VAL 61 1HG1 VAL 61 -5.637 -8.069 -5.048 468 HG12 VAL 61 2HG1 VAL 61 -7.224 -7.715 -5.770 469 HG13 VAL 61 3HG1 VAL 61 -6.349 -9.198 -6.223 470 HG21 VAL 61 3HG2 VAL 61 -3.687 -7.392 -8.138 471 HG22 VAL 61 1HG2 VAL 61 -3.572 -7.880 -6.431 472 HG23 VAL 61 2HG2 VAL 61 -4.244 -9.006 -7.633 473 H ASP 62 HN ASP 62 -8.595 -8.089 -9.469 474 HA ASP 62 HA ASP 62 -10.671 -7.162 -9.669 475 HB2 ASP 62 2HB ASP 62 -10.746 -8.385 -7.506 476 HB3 ASP 62 3HB ASP 62 -10.401 -6.854 -6.670 477 HD2 ASP 62 2HD ASP 62 -13.731 -6.076 -6.700 478 H GLY 63 HN GLY 63 -9.684 -5.348 -10.816 479 HA2 GLY 63 1HA GLY 63 -10.304 -3.101 -11.233 480 HA3 GLY 63 2HA GLY 63 -10.521 -2.843 -9.487 481 H GLU 64 HN GLU 64 -8.099 -3.763 -8.483 482 HA GLU 64 HA GLU 64 -6.535 -1.382 -9.071 483 HB2 GLU 64 2HB GLU 64 -6.004 -3.716 -7.205 484 HB3 GLU 64 3HB GLU 64 -5.088 -2.190 -7.250 485 HG2 GLU 64 2HG GLU 64 -8.021 -2.484 -6.552 486 HG3 GLU 64 3HG GLU 64 -6.690 -2.244 -5.398 487 HE2 GLU 64 2HE GLU 64 -6.417 1.138 -6.247 488 H THR 65 HN THR 65 -4.686 -1.220 -10.227 489 HA THR 65 HA THR 65 -3.552 -3.772 -11.269 490 HB THR 65 HB THR 65 -3.359 -1.101 -12.685 491 HG1 THR 65 1HG THR 65 -5.173 -1.861 -13.905 492 HG21 THR 65 3HG2 THR 65 -3.171 -3.987 -13.632 493 HG22 THR 65 1HG2 THR 65 -2.988 -2.544 -14.656 494 HG23 THR 65 2HG2 THR 65 -1.800 -2.881 -13.376 495 H TRP 66 HN TRP 66 -1.684 -4.201 -10.355 496 HA TRP 66 HA TRP 66 0.017 -1.921 -9.466 497 HB2 TRP 66 2HB TRP 66 -0.137 -4.749 -8.354 498 HB3 TRP 66 3HB TRP 66 0.898 -3.449 -7.749 499 HD1 TRP 66 1HD TRP 66 -2.729 -4.692 -7.654 500 HE1 TRP 66 1HE TRP 66 -4.042 -3.389 -5.887 501 HE3 TRP 66 3HE TRP 66 0.794 -1.149 -6.571 502 HZ2 TRP 66 2HZ TRP 66 -3.605 -1.131 -4.226 503 HZ3 TRP 66 3HZ TRP 66 0.273 0.551 -4.869 504 HH2 TRP 66 2HH TRP 66 -1.902 0.564 -3.718 505 H ARG 67 HN ARG 67 2.326 -2.190 -9.612 506 HA ARG 67 HA ARG 67 3.215 -3.686 -11.921 507 HB2 ARG 67 2HB ARG 67 4.593 -2.084 -9.776 508 HB3 ARG 67 3HB ARG 67 5.525 -3.075 -10.923 509 HG2 ARG 67 2HG ARG 67 5.504 -0.849 -11.750 510 HG3 ARG 67 3HG ARG 67 4.419 -1.810 -12.782 511 HD2 ARG 67 2HD ARG 67 2.483 -0.876 -11.789 512 HD3 ARG 67 3HD ARG 67 3.415 -0.180 -10.446 513 HE ARG 67 HE ARG 67 3.777 0.746 -13.258 514 HH11 ARG 67 2HH1 ARG 67 3.136 1.398 -9.854 515 HH12 ARG 67 1HH1 ARG 67 3.206 3.134 -10.047 516 HH21 ARG 67 2HH2 ARG 67 3.872 3.011 -13.488 517 HH22 ARG 67 1HH2 ARG 67 3.622 4.045 -12.100 518 H ALA 68 HN ALA 68 4.221 -5.642 -12.011 519 HA ALA 68 HA ALA 68 4.679 -7.009 -9.427 520 HB1 ALA 68 1HB ALA 68 3.486 -9.009 -10.222 521 HB2 ALA 68 2HB ALA 68 2.408 -7.597 -10.141 522 HB3 ALA 68 3HB ALA 68 3.040 -8.147 -11.711 523 H THR 69 HN THR 69 6.296 -8.388 -9.355 524 HA THR 69 HA THR 69 7.739 -8.987 -11.892 525 HB THR 69 HB THR 69 8.944 -9.089 -9.110 526 HG1 THR 69 1HG THR 69 9.706 -6.947 -9.554 527 HG21 THR 69 3HG2 THR 69 10.145 -8.664 -11.868 528 HG22 THR 69 1HG2 THR 69 11.054 -8.748 -10.343 529 HG23 THR 69 2HG2 THR 69 10.183 -10.180 -10.935 530 H SER 70 HN SER 70 8.922 -11.136 -11.768 531 HA SER 70 HA SER 70 7.826 -13.126 -9.956 532 HB2 SER 70 2HB SER 70 5.945 -12.850 -11.557 533 HB3 SER 70 3HB SER 70 7.052 -13.217 -12.901 534 HG SER 70 HG SER 70 5.862 -15.058 -12.201 535 H GLY 71 HN GLY 71 8.744 -15.275 -10.380 536 HA2 GLY 71 1HA GLY 71 11.337 -15.037 -11.792 537 HA3 GLY 71 2HA GLY 71 10.893 -16.280 -10.601 538 H THR 72 HN THR 72 8.294 -15.742 -12.613 539 HA THR 72 HA THR 72 9.106 -18.006 -14.371 540 HB THR 72 HB THR 72 6.214 -17.452 -13.765 541 HG1 THR 72 1HG THR 72 6.416 -18.775 -11.874 542 HG21 THR 72 3HG2 THR 72 7.833 -20.004 -14.125 543 HG22 THR 72 1HG2 THR 72 6.065 -19.912 -13.955 544 HG23 THR 72 2HG2 THR 72 6.857 -19.201 -15.379 545 H VAL 73 HN VAL 73 7.813 -18.074 -16.440 546 HA VAL 73 HA VAL 73 7.694 -15.361 -17.574 547 HB VAL 73 HB VAL 73 7.325 -18.061 -18.931 548 HG11 VAL 73 1HG1 VAL 73 7.723 -16.819 -21.017 549 HG12 VAL 73 2HG1 VAL 73 6.295 -16.203 -20.154 550 HG13 VAL 73 3HG1 VAL 73 7.829 -15.303 -20.092 551 HG21 VAL 73 3HG2 VAL 73 9.562 -17.846 -17.954 552 HG22 VAL 73 1HG2 VAL 73 9.633 -17.778 -19.730 553 HG23 VAL 73 2HG2 VAL 73 9.778 -16.283 -18.778 554 H LEU 74 HN LEU 74 5.837 -14.263 -17.532 555 HA LEU 74 HA LEU 74 3.313 -15.855 -17.494 556 HB2 LEU 74 2HB LEU 74 3.856 -13.190 -16.156 557 HB3 LEU 74 3HB LEU 74 2.359 -14.148 -16.063 558 HG LEU 74 HG LEU 74 5.049 -15.051 -15.012 559 HD11 LEU 74 1HD1 LEU 74 4.145 -14.569 -12.776 560 HD12 LEU 74 2HD1 LEU 74 4.242 -13.099 -13.773 561 HD13 LEU 74 3HD1 LEU 74 2.674 -13.902 -13.518 562 HD21 LEU 74 3HD2 LEU 74 3.523 -16.873 -15.619 563 HD22 LEU 74 1HD2 LEU 74 3.726 -16.774 -13.854 564 HD23 LEU 74 2HD2 LEU 74 2.246 -16.146 -14.615 565 H ASP 75 HN ASP 75 2.020 -15.522 -19.146 566 HA ASP 75 HA ASP 75 2.543 -13.241 -20.941 567 HB2 ASP 75 2HB ASP 75 2.025 -15.789 -21.528 568 HB3 ASP 75 3HB ASP 75 0.343 -15.233 -21.386 569 HD2 ASP 75 2HD ASP 75 1.999 -14.660 -24.757 570 H VAL 76 HN VAL 76 0.354 -12.409 -21.969 571 HA VAL 76 HA VAL 76 -1.017 -11.092 -19.756 572 HB VAL 76 HB VAL 76 -1.437 -10.826 -22.759 573 HG11 VAL 76 1HG1 VAL 76 -2.548 -8.699 -22.208 574 HG12 VAL 76 2HG1 VAL 76 -3.377 -10.081 -21.456 575 HG13 VAL 76 3HG1 VAL 76 -2.324 -9.034 -20.476 576 HG21 VAL 76 3HG2 VAL 76 0.841 -10.224 -22.090 577 HG22 VAL 76 1HG2 VAL 76 -0.082 -8.783 -22.575 578 HG23 VAL 76 2HG2 VAL 76 0.193 -9.122 -20.851 579 H GLY 77 HN GLY 77 -3.053 -11.480 -19.036 580 HA2 GLY 77 1HA GLY 77 -5.288 -12.238 -19.304 581 HA3 GLY 77 2HA GLY 77 -4.767 -13.262 -20.661 582 H GLU 78 HN GLU 78 -2.415 -13.732 -18.472 583 HA GLU 78 HA GLU 78 -3.561 -16.258 -17.588 584 HB2 GLU 78 2HB GLU 78 -0.892 -14.885 -17.309 585 HB3 GLU 78 3HB GLU 78 -1.270 -16.385 -16.429 586 HG2 GLU 78 2HG GLU 78 -1.370 -16.027 -19.427 587 HG3 GLU 78 3HG GLU 78 -0.049 -16.792 -18.519 588 HE2 GLU 78 2HE GLU 78 -3.280 -18.894 -19.294 589 H GLU 79 HN GLU 79 -3.050 -16.934 -15.272 590 HA GLU 79 HA GLU 79 -3.867 -14.727 -13.441 591 HB2 GLU 79 2HB GLU 79 -4.722 -17.635 -13.316 592 HB3 GLU 79 3HB GLU 79 -5.193 -16.345 -12.185 593 HG2 GLU 79 2HG GLU 79 -6.232 -15.147 -14.140 594 HG3 GLU 79 3HG GLU 79 -5.932 -16.606 -15.107 595 HE2 GLU 79 2HE GLU 79 -9.072 -16.518 -12.797 596 H VAL 80 HN VAL 80 -2.786 -14.525 -11.570 597 HA VAL 80 HA VAL 80 -0.765 -16.598 -10.893 598 HB VAL 80 HB VAL 80 0.881 -14.793 -10.415 599 HG11 VAL 80 1HG1 VAL 80 1.488 -14.319 -12.749 600 HG12 VAL 80 2HG1 VAL 80 0.967 -16.007 -12.540 601 HG13 VAL 80 3HG1 VAL 80 -0.137 -14.819 -13.272 602 HG21 VAL 80 3HG2 VAL 80 -0.699 -12.951 -10.078 603 HG22 VAL 80 1HG2 VAL 80 0.514 -12.532 -11.310 604 HG23 VAL 80 2HG2 VAL 80 -1.130 -12.996 -11.805 605 H SER 81 HN SER 81 0.367 -15.683 -8.713 606 HA SER 81 HA SER 81 -1.737 -14.484 -7.000 607 HB2 SER 81 2HB SER 81 -0.182 -17.012 -6.336 608 HB3 SER 81 3HB SER 81 -1.258 -16.136 -5.221 609 HG SER 81 HG SER 81 -2.309 -17.888 -6.279 610 H VAL 82 HN VAL 82 -1.001 -13.182 -5.379 611 HA VAL 82 HA VAL 82 1.789 -12.328 -5.636 612 HB VAL 82 HB VAL 82 -0.364 -11.278 -3.762 613 HG11 VAL 82 1HG1 VAL 82 0.999 -9.234 -3.739 614 HG12 VAL 82 2HG1 VAL 82 1.921 -10.641 -3.163 615 HG13 VAL 82 3HG1 VAL 82 2.186 -10.015 -4.808 616 HG21 VAL 82 3HG2 VAL 82 -1.151 -11.162 -6.080 617 HG22 VAL 82 1HG2 VAL 82 -0.800 -9.537 -5.446 618 HG23 VAL 82 2HG2 VAL 82 0.347 -10.325 -6.555 619 H LYS 83 HN LYS 83 3.364 -13.245 -4.471 620 HA LYS 83 HA LYS 83 2.565 -14.659 -1.993 621 HB2 LYS 83 2HB LYS 83 4.778 -15.026 -4.002 622 HB3 LYS 83 3HB LYS 83 4.827 -15.793 -2.397 623 HG2 LYS 83 2HG LYS 83 2.673 -16.887 -2.867 624 HG3 LYS 83 3HG LYS 83 2.659 -16.141 -4.485 625 HD2 LYS 83 2HD LYS 83 4.745 -17.299 -5.038 626 HD3 LYS 83 3HD LYS 83 4.762 -18.042 -3.421 627 HE2 LYS 83 2HE LYS 83 2.602 -18.418 -5.521 628 HE3 LYS 83 3HE LYS 83 3.892 -19.581 -5.142 629 HZ1 LYS 83 3HZ LYS 83 1.806 -18.667 -3.272 630 HZ2 LYS 83 1HZ LYS 83 1.844 -20.132 -4.027 631 HZ3 LYS 83 2HZ LYS 83 3.003 -19.745 -2.921 632 H ALA 84 HN ALA 84 4.654 -12.132 -3.262 633 HA ALA 84 HA ALA 84 5.369 -11.412 -0.509 634 HB1 ALA 84 1HB ALA 84 7.787 -11.346 -0.969 635 HB2 ALA 84 2HB ALA 84 7.142 -12.996 -1.126 636 HB3 ALA 84 3HB ALA 84 7.497 -12.037 -2.583 637 H ILE 85 HN ILE 85 6.909 -9.400 -0.604 638 HA ILE 85 HA ILE 85 6.064 -7.657 -2.869 639 HB ILE 85 HB ILE 85 6.279 -6.780 0.045 640 HG12 ILE 85 2HG1 ILE 85 3.806 -7.278 -1.640 641 HG13 ILE 85 3HG1 ILE 85 4.378 -8.307 -0.305 642 HG21 ILE 85 1HG2 ILE 85 5.222 -4.706 -0.770 643 HG22 ILE 85 2HG2 ILE 85 6.761 -5.017 -1.605 644 HG23 ILE 85 3HG2 ILE 85 5.220 -5.356 -2.425 645 HD11 ILE 85 3HD1 ILE 85 3.476 -5.424 -0.071 646 HD12 ILE 85 1HD1 ILE 85 2.534 -6.848 0.420 647 HD13 ILE 85 2HD1 ILE 85 4.046 -6.455 1.264 648 H GLU 86 HN GLU 86 7.658 -6.340 -3.703 649 HA GLU 86 HA GLU 86 10.146 -6.083 -2.115 650 HB2 GLU 86 2HB GLU 86 10.449 -7.938 -3.749 651 HB3 GLU 86 3HB GLU 86 10.110 -6.789 -5.065 652 HG2 GLU 86 2HG GLU 86 12.064 -5.480 -4.478 653 HG3 GLU 86 3HG GLU 86 12.376 -6.521 -3.072 654 HE2 GLU 86 2HE GLU 86 13.652 -7.674 -6.603 655 H GLY 87 HN GLY 87 9.904 -3.958 -1.643 656 HA2 GLY 87 1HA GLY 87 10.118 -1.705 -2.058 657 HA3 GLY 87 2HA GLY 87 10.455 -2.090 -3.761 658 H VAL 88 HN VAL 88 9.071 -1.256 -5.143 659 HA VAL 88 HA VAL 88 6.347 -0.597 -4.162 660 HB VAL 88 HB VAL 88 7.609 0.319 -6.763 661 HG11 VAL 88 1HG1 VAL 88 6.008 2.176 -6.575 662 HG12 VAL 88 2HG1 VAL 88 5.185 0.601 -6.564 663 HG13 VAL 88 3HG1 VAL 88 5.407 1.501 -5.045 664 HG21 VAL 88 3HG2 VAL 88 9.117 0.964 -4.945 665 HG22 VAL 88 1HG2 VAL 88 8.302 2.388 -5.630 666 HG23 VAL 88 2HG2 VAL 88 7.759 1.717 -4.075 667 H LYS 89 HN LYS 89 7.877 -3.089 -5.614 668 HA LYS 89 HA LYS 89 5.613 -3.633 -7.469 669 HB2 LYS 89 2HB LYS 89 8.505 -4.509 -7.486 670 HB3 LYS 89 3HB LYS 89 7.252 -5.358 -8.425 671 HG2 LYS 89 2HG LYS 89 6.754 -3.291 -9.641 672 HG3 LYS 89 3HG LYS 89 7.990 -2.429 -8.695 673 HD2 LYS 89 2HD LYS 89 8.584 -4.871 -10.386 674 HD3 LYS 89 3HD LYS 89 8.710 -3.202 -10.994 675 HE2 LYS 89 2HE LYS 89 10.154 -4.163 -8.517 676 HE3 LYS 89 3HE LYS 89 10.857 -4.269 -10.145 677 HZ1 LYS 89 3HZ LYS 89 9.957 -1.795 -8.826 678 HZ2 LYS 89 1HZ LYS 89 11.526 -2.266 -9.017 679 HZ3 LYS 89 2HZ LYS 89 10.611 -1.893 -10.338 680 H LEU 90 HN LEU 90 4.870 -5.832 -7.613 681 HA LEU 90 HA LEU 90 4.995 -7.142 -4.956 682 HB2 LEU 90 2HB LEU 90 3.056 -7.446 -7.265 683 HB3 LEU 90 3HB LEU 90 2.999 -8.388 -5.755 684 HG LEU 90 HG LEU 90 2.671 -5.388 -5.975 685 HD11 LEU 90 1HD1 LEU 90 0.311 -5.830 -5.437 686 HD12 LEU 90 2HD1 LEU 90 0.787 -6.610 -6.963 687 HD13 LEU 90 3HD1 LEU 90 0.631 -7.579 -5.480 688 HD21 LEU 90 3HD2 LEU 90 3.659 -6.116 -3.850 689 HD22 LEU 90 1HD2 LEU 90 1.992 -5.541 -3.615 690 HD23 LEU 90 2HD2 LEU 90 2.337 -7.287 -3.630 691 H VAL 91 HN VAL 91 5.376 -9.356 -4.779 692 HA VAL 91 HA VAL 91 6.792 -10.512 -7.110 693 HB VAL 91 HB VAL 91 6.755 -11.434 -4.209 694 HG11 VAL 91 1HG1 VAL 91 8.609 -12.910 -4.879 695 HG12 VAL 91 2HG1 VAL 91 7.128 -13.272 -5.794 696 HG13 VAL 91 3HG1 VAL 91 8.445 -12.352 -6.560 697 HG21 VAL 91 3HG2 VAL 91 7.904 -9.285 -4.485 698 HG22 VAL 91 1HG2 VAL 91 9.062 -10.584 -4.117 699 HG23 VAL 91 2HG2 VAL 91 8.904 -9.981 -5.783 700 H VAL 92 HN VAL 92 5.337 -11.449 -8.400 701 HA VAL 92 HA VAL 92 3.285 -13.173 -7.116 702 HB VAL 92 HB VAL 92 2.001 -12.994 -9.197 703 HG11 VAL 92 1HG1 VAL 92 1.359 -10.624 -9.040 704 HG12 VAL 92 2HG1 VAL 92 1.616 -11.337 -7.430 705 HG13 VAL 92 3HG1 VAL 92 2.857 -10.279 -8.144 706 HG21 VAL 92 3HG2 VAL 92 3.863 -12.746 -10.775 707 HG22 VAL 92 1HG2 VAL 92 2.667 -11.446 -10.992 708 HG23 VAL 92 2HG2 VAL 92 4.193 -11.116 -10.140 709 H GLU 93 HN GLU 93 2.737 -15.152 -8.364 710 HA GLU 93 HA GLU 93 4.957 -16.181 -10.008 711 HB2 GLU 93 2HB GLU 93 4.057 -17.405 -7.383 712 HB3 GLU 93 3HB GLU 93 4.969 -18.296 -8.625 713 HG2 GLU 93 2HG GLU 93 5.976 -15.731 -7.390 714 HG3 GLU 93 3HG GLU 93 6.290 -17.326 -6.675 715 HE2 GLU 93 2HE GLU 93 8.285 -16.286 -9.940 716 H LYS 94 HN LYS 94 4.319 -18.464 -10.777 717 HA LYS 94 HA LYS 94 1.779 -18.149 -12.041 718 HB2 LYS 94 2HB LYS 94 4.088 -19.685 -12.389 719 HB3 LYS 94 3HB LYS 94 2.794 -20.863 -12.065 720 HG2 LYS 94 2HG LYS 94 2.788 -18.739 -14.223 721 HG3 LYS 94 3HG LYS 94 3.059 -20.483 -14.455 722 HD2 LYS 94 2HD LYS 94 0.802 -20.965 -13.678 723 HD3 LYS 94 3HD LYS 94 0.525 -19.239 -13.346 724 HE2 LYS 94 2HE LYS 94 0.840 -18.730 -15.729 725 HE3 LYS 94 3HE LYS 94 1.123 -20.451 -16.063 726 HZ1 LYS 94 3HZ LYS 94 -1.366 -19.299 -15.001 727 HZ2 LYS 94 1HZ LYS 94 -1.129 -19.810 -16.550 728 HZ3 LYS 94 2HZ LYS 94 -1.104 -20.898 -15.311 729 H LEU 95 HN LEU 95 -0.129 -18.644 -11.392 730 HA LEU 95 HA LEU 95 -0.706 -19.620 -8.805 731 HB2 LEU 95 2HB LEU 95 -2.240 -18.224 -10.035 732 HB3 LEU 95 3HB LEU 95 -2.377 -19.441 -11.326 733 HG LEU 95 HG LEU 95 -3.444 -20.975 -9.694 734 HD11 LEU 95 1HD1 LEU 95 -4.326 -20.063 -7.588 735 HD12 LEU 95 2HD1 LEU 95 -2.550 -20.015 -7.629 736 HD13 LEU 95 3HD1 LEU 95 -3.487 -18.528 -7.906 737 HD21 LEU 95 3HD2 LEU 95 -4.761 -19.623 -11.254 738 HD22 LEU 95 1HD2 LEU 95 -5.619 -19.830 -9.711 739 HD23 LEU 95 2HD2 LEU 95 -4.806 -18.291 -10.074 740 H GLU 96 HN GLU 96 -1.402 -21.575 -8.027 741 HA GLU 96 HA GLU 96 -0.550 -23.914 -9.525 742 HB2 GLU 96 2HB GLU 96 -1.468 -25.137 -7.508 743 HB3 GLU 96 3HB GLU 96 -0.118 -24.015 -7.217 744 HG2 GLU 96 2HG GLU 96 -1.737 -22.323 -6.421 745 HG3 GLU 96 3HG GLU 96 -3.047 -23.503 -6.644 746 HE2 GLU 96 2HE GLU 96 -0.559 -24.009 -3.582 747 H GLU 97 HN GLU 97 -1.755 -24.224 -11.273 748 HA GLU 97 HA GLU 97 -4.671 -23.956 -11.163 749 HB2 GLU 97 2HB GLU 97 -2.761 -24.709 -13.396 750 HB3 GLU 97 3HB GLU 97 -4.502 -24.389 -13.582 751 HG2 GLU 97 2HG GLU 97 -4.230 -22.098 -12.987 752 HG3 GLU 97 3HG GLU 97 -2.554 -22.366 -12.461 753 HE2 GLU 97 2HE GLU 97 -3.285 -21.870 -16.313 754 H GLN 98 HN GLN 98 -2.916 -26.183 -9.863 755 HA GLN 98 HA GLN 98 -3.646 -28.639 -11.092 756 HB2 GLN 98 2HB GLN 98 -1.894 -28.451 -9.393 757 HB3 GLN 98 3HB GLN 98 -3.107 -27.979 -8.179 758 HG2 GLN 98 2HG GLN 98 -4.160 -30.168 -8.346 759 HG3 GLN 98 3HG GLN 98 -3.013 -30.644 -9.618 760 HE21 GLN 98 1HE2 GLN 98 -0.852 -31.090 -9.087 761 HE22 GLN 98 2HE2 GLN 98 -0.352 -31.388 -7.436 762 H LYS 99 HN LYS 99 -5.707 -29.002 -11.627 763 HA LYS 99 HA LYS 99 -7.892 -28.214 -9.875 764 HB2 LYS 99 2HB LYS 99 -7.770 -29.801 -12.455 765 HB3 LYS 99 3HB LYS 99 -9.279 -29.403 -11.598 766 HG2 LYS 99 2HG LYS 99 -8.923 -27.051 -11.917 767 HG3 LYS 99 3HG LYS 99 -7.289 -27.334 -12.562 768 HD2 LYS 99 2HD LYS 99 -8.200 -28.430 -14.520 769 HD3 LYS 99 3HD LYS 99 -9.848 -28.321 -13.856 770 HE2 LYS 99 2HE LYS 99 -9.798 -25.906 -13.982 771 HE3 LYS 99 3HE LYS 99 -8.090 -25.926 -14.472 772 HZ1 LYS 99 3HZ LYS 99 -10.331 -27.031 -16.029 773 HZ2 LYS 99 1HZ LYS 99 -9.547 -25.616 -16.346 774 HZ3 LYS 99 2HZ LYS 99 -8.746 -27.050 -16.482 775 H GLY 100 HN GLY 100 -8.202 -29.259 -8.054 776 HA2 GLY 100 1HA GLY 100 -9.126 -31.774 -7.686 777 HA3 GLY 100 2HA GLY 100 -7.369 -32.039 -7.758 778 H SER 101 HN SER 101 -7.223 -32.674 -5.573 779 HA SER 101 HA SER 101 -7.907 -30.549 -3.612 780 HB2 SER 101 2HB SER 101 -7.239 -33.482 -3.171 781 HB3 SER 101 3HB SER 101 -7.730 -32.317 -1.919 782 HG SER 101 HG SER 101 -9.488 -33.592 -2.686
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