NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476657 | 2l1s | 17104 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -13.654 -20.361 -10.189 2 HA2 GLY 1 2HA GLY 1 -13.685 -18.525 -8.563 3 HA3 GLY 1 1HA GLY 1 -12.699 -19.549 -7.508 4 H ALA 2 H ALA 2 -11.722 -17.104 -7.998 5 HA ALA 2 HA ALA 2 -9.610 -17.270 -10.030 6 HB1 ALA 2 1HB ALA 2 -8.659 -15.352 -8.778 7 HB2 ALA 2 2HB ALA 2 -10.358 -15.047 -9.182 8 HB3 ALA 2 3HB ALA 2 -9.910 -15.531 -7.529 9 H ALA 3 H ALA 3 -7.403 -17.722 -9.454 10 HA ALA 3 HA ALA 3 -6.836 -18.769 -6.790 11 HB1 ALA 3 1HB ALA 3 -7.422 -20.811 -8.034 12 HB2 ALA 3 2HB ALA 3 -6.292 -20.369 -9.331 13 HB3 ALA 3 3HB ALA 3 -5.677 -20.759 -7.712 14 H GLY 4 H GLY 4 -6.178 -16.430 -7.167 15 HA2 GLY 4 2HA GLY 4 -3.395 -16.231 -8.135 16 HA3 GLY 4 1HA GLY 4 -4.641 -15.188 -8.901 17 H ILE 5 H ILE 5 -5.075 -13.366 -8.000 18 HA ILE 5 HA ILE 5 -4.151 -12.844 -5.228 19 HB ILE 5 HB ILE 5 -3.326 -10.672 -6.116 20 HG12 ILE 5 1HG1 ILE 5 -2.972 -10.886 -8.806 21 HG13 ILE 5 2HG1 ILE 5 -4.528 -11.656 -8.717 22 HG21 ILE 5 1HG2 ILE 5 -1.364 -11.562 -7.140 23 HG22 ILE 5 2HG2 ILE 5 -1.911 -12.722 -5.911 24 HG23 ILE 5 3HG2 ILE 5 -2.174 -13.046 -7.641 25 HD11 ILE 5 3HD1 ILE 5 -5.482 -9.638 -7.635 26 HD12 ILE 5 1HD1 ILE 5 -3.869 -8.878 -7.660 27 HD13 ILE 5 2HD1 ILE 5 -4.708 -9.248 -9.178 28 H ASP 6 H ASP 6 -6.750 -12.538 -7.424 29 HA ASP 6 HA ASP 6 -7.929 -10.147 -6.442 30 HB2 ASP 6 1HB ASP 6 -8.319 -11.542 -8.589 31 HB3 ASP 6 2HB ASP 6 -9.414 -12.513 -7.614 32 H GLN 7 H GLN 7 -7.915 -13.447 -5.279 33 HA GLN 7 HA GLN 7 -10.023 -13.372 -3.396 34 HB2 GLN 7 1HB GLN 7 -8.826 -15.303 -2.430 35 HB3 GLN 7 2HB GLN 7 -8.966 -15.384 -4.180 36 HG2 GLN 7 1HG GLN 7 -6.452 -14.139 -3.792 37 HG3 GLN 7 2HG GLN 7 -6.559 -15.319 -2.496 38 HE21 GLN 7 1HE2 GLN 7 -5.181 -16.886 -3.284 39 HE22 GLN 7 2HE2 GLN 7 -5.451 -17.813 -4.735 40 H TYR 8 H TYR 8 -6.853 -11.853 -3.305 41 HA TYR 8 HA TYR 8 -7.176 -11.202 -0.422 42 HB2 TYR 8 1HB TYR 8 -4.814 -10.679 -2.240 43 HB3 TYR 8 2HB TYR 8 -4.875 -10.484 -0.497 44 HD1 TYR 8 2HD TYR 8 -5.401 -12.647 0.899 45 HD2 TYR 8 1HD TYR 8 -3.996 -12.631 -3.155 46 HE1 TYR 8 2HE TYR 8 -4.721 -15.041 1.122 47 HE2 TYR 8 1HE TYR 8 -3.308 -14.996 -2.973 48 HH TYR 8 HH TYR 8 -4.388 -17.004 -0.536 49 H ALA 9 H ALA 9 -8.464 -9.932 -3.261 50 HA ALA 9 HA ALA 9 -7.456 -7.204 -2.778 51 HB1 ALA 9 1HB ALA 9 -7.684 -8.088 -5.165 52 HB2 ALA 9 2HB ALA 9 -9.441 -8.187 -4.897 53 HB3 ALA 9 3HB ALA 9 -8.607 -6.619 -4.850 54 H LEU 10 H LEU 10 -8.359 -6.124 -1.236 55 HA LEU 10 HA LEU 10 -11.043 -6.729 -0.359 56 HB2 LEU 10 1HB LEU 10 -9.430 -4.410 0.701 57 HB3 LEU 10 2HB LEU 10 -10.848 -5.006 1.398 58 HG LEU 10 HG LEU 10 -9.764 -7.341 1.457 59 HD11 LEU 10 1HD1 LEU 10 -7.756 -5.478 0.581 60 HD12 LEU 10 2HD1 LEU 10 -7.904 -7.246 0.505 61 HD13 LEU 10 3HD1 LEU 10 -7.168 -6.478 1.949 62 HD21 LEU 10 3HD2 LEU 10 -8.907 -7.219 3.594 63 HD22 LEU 10 1HD2 LEU 10 -10.257 -6.054 3.592 64 HD23 LEU 10 2HD2 LEU 10 -8.519 -5.530 3.533 65 H LYS 11 H LYS 11 -11.875 -4.334 0.260 66 HA LYS 11 HA LYS 11 -11.666 -2.396 -1.960 67 HB2 LYS 11 1HB LYS 11 -14.145 -1.854 -1.774 68 HB3 LYS 11 2HB LYS 11 -13.608 -3.300 -2.630 69 HG2 LYS 11 1HG LYS 11 -14.144 -4.699 -0.662 70 HG3 LYS 11 2HG LYS 11 -14.865 -3.291 0.098 71 HD2 LYS 11 1HD LYS 11 -15.691 -4.649 -2.493 72 HD3 LYS 11 2HD LYS 11 -16.502 -4.795 -0.926 73 HE2 LYS 11 1HE LYS 11 -16.975 -2.359 -0.955 74 HE3 LYS 11 2HE LYS 11 -16.176 -2.208 -2.522 75 HZ1 LYS 11 3HZ LYS 11 -17.891 -3.886 -3.340 76 HZ2 LYS 11 1HZ LYS 11 -18.491 -2.399 -2.930 77 HZ3 LYS 11 2HZ LYS 11 -18.643 -3.686 -1.917 78 H GLU 12 H GLU 12 -11.612 -2.976 1.366 79 HA GLU 12 HA GLU 12 -11.414 -0.287 2.242 80 HB2 GLU 12 1HB GLU 12 -13.664 0.047 3.282 81 HB3 GLU 12 2HB GLU 12 -13.650 0.052 1.533 82 HG2 GLU 12 1HG GLU 12 -14.260 -2.589 2.062 83 HG3 GLU 12 2HG GLU 12 -14.943 -1.782 3.450 84 H PHE 13 H PHE 13 -11.538 -0.093 4.643 85 HA PHE 13 HA PHE 13 -11.555 -2.437 6.315 86 HB2 PHE 13 1HB PHE 13 -9.147 -2.438 6.818 87 HB3 PHE 13 2HB PHE 13 -9.398 -2.888 5.188 88 HD1 PHE 13 1HD PHE 13 -9.266 -0.679 3.423 89 HD2 PHE 13 2HD PHE 13 -7.384 -0.996 7.301 90 HE1 PHE 13 1HE PHE 13 -7.660 1.059 2.779 91 HE2 PHE 13 2HE PHE 13 -5.794 0.804 6.630 92 HZ PHE 13 HZ PHE 13 -5.950 1.842 4.402 93 H THR 14 H THR 14 -10.095 -1.669 8.370 94 HA THR 14 HA THR 14 -10.101 1.211 8.692 95 HB THR 14 HB THR 14 -10.789 -0.647 10.989 96 HG1 THR 14 1HG THR 14 -12.800 -0.382 10.707 97 HG21 THR 14 3HG2 THR 14 -11.407 1.337 12.206 98 HG22 THR 14 1HG2 THR 14 -11.185 2.352 10.769 99 HG23 THR 14 2HG2 THR 14 -9.780 1.584 11.551 100 H ALA 15 H ALA 15 -8.043 1.761 9.399 101 HA ALA 15 HA ALA 15 -6.568 -0.093 11.086 102 HB1 ALA 15 1HB ALA 15 -5.181 1.358 8.793 103 HB2 ALA 15 2HB ALA 15 -4.411 0.366 10.045 104 HB3 ALA 15 3HB ALA 15 -5.454 -0.415 8.842 105 H ASP 16 H ASP 16 -5.066 1.264 12.427 106 HA ASP 16 HA ASP 16 -4.394 3.127 13.486 107 HB2 ASP 16 1HB ASP 16 -4.040 3.431 10.782 108 HB3 ASP 16 2HB ASP 16 -5.038 4.849 11.161 109 H PHE 17 H PHE 17 -7.350 2.638 13.419 110 HA PHE 17 HA PHE 17 -9.330 3.489 14.114 111 HB2 PHE 17 1HB PHE 17 -8.050 6.023 15.079 112 HB3 PHE 17 2HB PHE 17 -9.441 5.166 15.720 113 HD1 PHE 17 2HD PHE 17 -9.028 2.958 17.026 114 HD2 PHE 17 1HD PHE 17 -5.870 5.628 15.807 115 HE1 PHE 17 2HE PHE 17 -7.486 1.906 18.667 116 HE2 PHE 17 1HE PHE 17 -4.332 4.572 17.435 117 HZ PHE 17 HZ PHE 17 -5.115 2.686 18.818 118 H THR 18 H THR 18 -8.303 4.028 11.392 119 HA THR 18 HA THR 18 -10.077 6.250 10.588 120 HB THR 18 HB THR 18 -7.417 5.387 9.366 121 HG1 THR 18 1HG THR 18 -8.061 7.643 10.951 122 HG21 THR 18 3HG2 THR 18 -7.672 7.544 8.110 123 HG22 THR 18 1HG2 THR 18 -9.312 7.704 8.796 124 HG23 THR 18 2HG2 THR 18 -8.919 6.355 7.718 125 H GLN 19 H GLN 19 -11.673 5.488 9.259 126 HA GLN 19 HA GLN 19 -11.525 2.784 8.088 127 HB2 GLN 19 1HB GLN 19 -13.606 3.635 9.164 128 HB3 GLN 19 2HB GLN 19 -13.687 4.940 7.985 129 HG2 GLN 19 1HG GLN 19 -14.570 3.616 6.388 130 HG3 GLN 19 2HG GLN 19 -13.459 2.290 6.702 131 HE21 GLN 19 1HE2 GLN 19 -13.859 0.955 8.740 132 HE22 GLN 19 2HE2 GLN 19 -15.519 0.588 9.061 133 H PHE 20 H PHE 20 -11.430 2.495 5.798 134 HA PHE 20 HA PHE 20 -11.078 4.870 4.036 135 HB2 PHE 20 1HB PHE 20 -9.173 2.541 4.252 136 HB3 PHE 20 2HB PHE 20 -9.057 3.846 3.111 137 HD1 PHE 20 1HD PHE 20 -8.390 6.213 4.013 138 HD2 PHE 20 2HD PHE 20 -8.240 2.618 6.396 139 HE1 PHE 20 1HE PHE 20 -6.609 7.215 5.431 140 HE2 PHE 20 2HE PHE 20 -6.433 3.635 7.796 141 HZ PHE 20 HZ PHE 20 -5.570 5.881 7.235 142 H HIS 21 H HIS 21 -11.277 4.370 1.828 143 HA HIS 21 HA HIS 21 -12.168 1.640 1.109 144 HB2 HIS 21 1HB HIS 21 -13.521 4.161 0.097 145 HB3 HIS 21 2HB HIS 21 -14.044 2.488 -0.044 146 HD1 HIS 21 1HD HIS 21 -13.815 5.292 2.498 147 HD2 HIS 21 2HD HIS 21 -15.541 1.502 1.934 148 HE1 HIS 21 1HE HIS 21 -15.355 4.868 4.555 149 H ILE 22 H ILE 22 -12.260 1.533 -1.388 150 HA ILE 22 HA ILE 22 -9.863 2.512 -2.648 151 HB ILE 22 HB ILE 22 -12.504 1.702 -3.962 152 HG12 ILE 22 1HG1 ILE 22 -11.908 -0.219 -2.831 153 HG13 ILE 22 2HG1 ILE 22 -11.365 -0.464 -4.474 154 HG21 ILE 22 1HG2 ILE 22 -11.112 2.965 -5.511 155 HG22 ILE 22 2HG2 ILE 22 -9.706 1.955 -5.127 156 HG23 ILE 22 3HG2 ILE 22 -11.112 1.263 -5.971 157 HD11 ILE 22 3HD1 ILE 22 -9.015 0.128 -3.709 158 HD12 ILE 22 1HD1 ILE 22 -9.643 0.138 -2.044 159 HD13 ILE 22 2HD1 ILE 22 -9.689 -1.354 -2.996 160 H GLY 23 H GLY 23 -9.469 4.558 -2.755 161 HA2 GLY 23 2HA GLY 23 -9.778 6.612 -3.959 162 HA3 GLY 23 1HA GLY 23 -11.523 6.428 -3.843 163 H ASP 24 H ASP 24 -10.314 5.725 -0.765 164 HA ASP 24 HA ASP 24 -10.738 8.429 0.329 165 HB2 ASP 24 1HB ASP 24 -9.864 5.749 1.432 166 HB3 ASP 24 2HB ASP 24 -9.487 7.209 2.336 167 H THR 25 H THR 25 -8.537 9.141 1.835 168 HA THR 25 HA THR 25 -6.157 8.755 0.195 169 HB THR 25 HB THR 25 -5.811 11.041 1.522 170 HG1 THR 25 1HG THR 25 -8.522 11.170 0.773 171 HG21 THR 25 3HG2 THR 25 -6.110 12.299 -0.596 172 HG22 THR 25 1HG2 THR 25 -7.092 10.964 -1.236 173 HG23 THR 25 2HG2 THR 25 -5.356 10.748 -0.902 174 H VAL 26 H VAL 26 -4.288 8.460 1.479 175 HA VAL 26 HA VAL 26 -4.724 7.653 4.279 176 HB VAL 26 HB VAL 26 -2.390 6.999 4.244 177 HG11 VAL 26 1HG1 VAL 26 -2.599 5.208 2.621 178 HG12 VAL 26 2HG1 VAL 26 -4.166 5.504 3.353 179 HG13 VAL 26 3HG1 VAL 26 -3.824 6.122 1.709 180 HG21 VAL 26 3HG2 VAL 26 -0.960 7.174 2.288 181 HG22 VAL 26 1HG2 VAL 26 -2.226 8.001 1.368 182 HG23 VAL 26 2HG2 VAL 26 -1.496 8.786 2.770 183 HA PRO 27 HA PRO 27 -2.972 11.606 5.797 184 HB2 PRO 27 1HB PRO 27 -1.745 10.813 8.105 185 HB3 PRO 27 2HB PRO 27 -3.507 10.922 7.944 186 HG2 PRO 27 1HG PRO 27 -1.808 8.486 7.703 187 HG3 PRO 27 2HG PRO 27 -3.345 8.680 8.622 188 HD2 PRO 27 1HD PRO 27 -3.312 7.534 6.173 189 HD3 PRO 27 2HD PRO 27 -4.656 8.572 6.717 190 H ALA 28 H ALA 28 -0.824 12.560 6.126 191 HA ALA 28 HA ALA 28 1.114 11.670 4.326 192 HB1 ALA 28 1HB ALA 28 0.877 14.003 4.888 193 HB2 ALA 28 2HB ALA 28 1.286 13.688 6.586 194 HB3 ALA 28 3HB ALA 28 2.512 13.474 5.319 195 H MET 29 H MET 29 0.568 10.642 7.562 196 HA MET 29 HA MET 29 3.133 9.824 8.354 197 HB2 MET 29 1HB MET 29 0.641 8.201 8.992 198 HB3 MET 29 2HB MET 29 2.074 8.470 9.980 199 HG2 MET 29 1HG MET 29 1.130 11.035 9.663 200 HG3 MET 29 2HG MET 29 -0.365 10.100 9.640 201 HE1 MET 29 3HE MET 29 -0.345 12.204 11.744 202 HE2 MET 29 1HE MET 29 -1.563 10.909 11.699 203 HE3 MET 29 2HE MET 29 -0.751 11.300 13.229 204 H TYR 30 H TYR 30 1.091 8.526 5.881 205 HA TYR 30 HA TYR 30 2.979 6.203 5.596 206 HB2 TYR 30 1HB TYR 30 0.096 6.457 4.693 207 HB3 TYR 30 2HB TYR 30 1.118 5.036 4.558 208 HD1 TYR 30 1HD TYR 30 2.163 4.109 6.825 209 HD2 TYR 30 2HD TYR 30 -1.204 6.780 6.621 210 HE1 TYR 30 1HE TYR 30 1.437 3.371 9.084 211 HE2 TYR 30 2HE TYR 30 -1.802 6.224 8.978 212 HH TYR 30 HH TYR 30 -1.142 4.997 10.927 213 H LEU 31 H LEU 31 2.550 9.216 4.242 214 HA LEU 31 HA LEU 31 3.105 8.398 1.458 215 HB2 LEU 31 1HB LEU 31 3.090 11.047 2.956 216 HB3 LEU 31 2HB LEU 31 3.879 10.913 1.404 217 HG LEU 31 HG LEU 31 1.576 11.838 1.336 218 HD11 LEU 31 1HD1 LEU 31 2.108 9.320 -0.279 219 HD12 LEU 31 2HD1 LEU 31 2.544 10.984 -0.720 220 HD13 LEU 31 3HD1 LEU 31 0.836 10.476 -0.653 221 HD21 LEU 31 3HD2 LEU 31 0.473 10.279 2.946 222 HD22 LEU 31 1HD2 LEU 31 0.646 8.987 1.760 223 HD23 LEU 31 2HD2 LEU 31 -0.359 10.408 1.398 224 H THR 32 H THR 32 4.814 8.951 4.444 225 HA THR 32 HA THR 32 7.369 9.567 3.414 226 HB THR 32 HB THR 32 6.819 9.861 5.759 227 HG1 THR 32 1HG THR 32 8.720 8.458 6.602 228 HG21 THR 32 3HG2 THR 32 6.747 7.877 7.311 229 HG22 THR 32 1HG2 THR 32 6.580 6.854 5.883 230 HG23 THR 32 2HG2 THR 32 5.346 8.079 6.250 231 HA PRO 33 HA PRO 33 8.442 5.801 1.414 232 HB2 PRO 33 1HB PRO 33 11.155 5.907 1.257 233 HB3 PRO 33 2HB PRO 33 10.083 7.032 0.374 234 HG2 PRO 33 1HG PRO 33 11.484 7.504 3.024 235 HG3 PRO 33 2HG PRO 33 11.448 8.578 1.585 236 HD2 PRO 33 1HD PRO 33 9.763 8.906 3.681 237 HD3 PRO 33 2HD PRO 33 9.211 9.213 2.019 238 H GLU 34 H GLU 34 9.059 6.238 4.674 239 HA GLU 34 HA GLU 34 10.558 4.004 5.496 240 HB2 GLU 34 1HB GLU 34 8.405 5.757 6.714 241 HB3 GLU 34 2HB GLU 34 9.111 4.438 7.652 242 HG2 GLU 34 1HG GLU 34 11.319 5.285 7.405 243 HG3 GLU 34 2HG GLU 34 10.845 6.483 6.193 244 H TYR 35 H TYR 35 7.372 4.039 4.146 245 HA TYR 35 HA TYR 35 6.925 1.200 4.994 246 HB2 TYR 35 1HB TYR 35 4.938 3.403 4.350 247 HB3 TYR 35 2HB TYR 35 4.506 1.727 4.655 248 HD1 TYR 35 1HD TYR 35 5.922 4.791 6.194 249 HD2 TYR 35 2HD TYR 35 4.303 0.864 6.898 250 HE1 TYR 35 1HE TYR 35 5.787 5.310 8.578 251 HE2 TYR 35 2HE TYR 35 4.031 1.421 9.302 252 HH TYR 35 HH TYR 35 3.854 3.247 10.827 253 H ASN 36 H ASN 36 7.828 3.074 2.380 254 HA ASN 36 HA ASN 36 6.227 2.100 0.232 255 HB2 ASN 36 1HB ASN 36 7.260 4.197 -0.025 256 HB3 ASN 36 2HB ASN 36 8.818 3.592 0.555 257 HD21 ASN 36 1HD2 ASN 36 9.662 4.742 -1.264 258 HD22 ASN 36 2HD2 ASN 36 9.706 3.931 -2.803 259 H ILE 37 H ILE 37 6.178 0.022 -0.203 260 HA ILE 37 HA ILE 37 8.610 -1.679 -0.164 261 HB ILE 37 HB ILE 37 5.674 -2.340 -0.605 262 HG12 ILE 37 1HG1 ILE 37 6.798 -3.535 1.800 263 HG13 ILE 37 2HG1 ILE 37 7.187 -1.838 1.845 264 HG21 ILE 37 1HG2 ILE 37 6.303 -4.663 -0.173 265 HG22 ILE 37 2HG2 ILE 37 6.994 -4.063 -1.673 266 HG23 ILE 37 3HG2 ILE 37 8.035 -4.228 -0.233 267 HD11 ILE 37 3HD1 ILE 37 4.471 -3.123 1.710 268 HD12 ILE 37 1HD1 ILE 37 5.161 -1.934 2.854 269 HD13 ILE 37 2HD1 ILE 37 4.700 -1.420 1.236 270 H LYS 38 H LYS 38 9.620 -0.452 -1.888 271 HA LYS 38 HA LYS 38 8.518 -0.465 -4.569 272 HB2 LYS 38 1HB LYS 38 11.001 0.393 -3.319 273 HB3 LYS 38 2HB LYS 38 11.393 -0.714 -4.640 274 HG2 LYS 38 1HG LYS 38 9.740 0.638 -6.073 275 HG3 LYS 38 2HG LYS 38 9.770 1.845 -4.777 276 HD2 LYS 38 1HD LYS 38 12.262 2.045 -5.083 277 HD3 LYS 38 2HD LYS 38 12.171 0.833 -6.385 278 HE2 LYS 38 1HE LYS 38 10.405 2.300 -7.485 279 HE3 LYS 38 2HE LYS 38 10.784 3.546 -6.293 280 HZ1 LYS 38 3HZ LYS 38 12.611 2.434 -8.335 281 HZ2 LYS 38 1HZ LYS 38 13.075 3.564 -7.217 282 HZ3 LYS 38 2HZ LYS 38 11.941 3.941 -8.314 283 H GLN 39 H GLN 39 9.674 -2.901 -2.507 284 HA GLN 39 HA GLN 39 10.641 -4.749 -4.529 285 HB2 GLN 39 1HB GLN 39 10.330 -4.809 -1.486 286 HB3 GLN 39 2HB GLN 39 10.994 -6.142 -2.430 287 HG2 GLN 39 1HG GLN 39 12.777 -4.844 -1.456 288 HG3 GLN 39 2HG GLN 39 12.837 -4.747 -3.207 289 HE21 GLN 39 1HE2 GLN 39 13.790 -2.831 -3.570 290 HE22 GLN 39 2HE2 GLN 39 13.385 -1.290 -2.874 291 H TRP 40 H TRP 40 8.475 -4.700 -5.653 292 HA TRP 40 HA TRP 40 6.398 -6.328 -4.271 293 HB2 TRP 40 1HB TRP 40 4.781 -5.169 -5.644 294 HB3 TRP 40 2HB TRP 40 5.730 -4.025 -4.705 295 HD1 TRP 40 HD TRP 40 7.005 -2.166 -6.036 296 HE1 TRP 40 1HE TRP 40 7.353 -1.569 -8.502 297 HE3 TRP 40 3HE TRP 40 4.739 -6.241 -8.165 298 HZ2 TRP 40 2HZ TRP 40 6.832 -2.798 -11.087 299 HZ3 TRP 40 3HZ TRP 40 4.671 -6.491 -10.612 300 HH2 TRP 40 HH TRP 40 5.721 -4.777 -12.077 301 H GLN 41 H GLN 41 8.599 -6.266 -7.030 302 HA GLN 41 HA GLN 41 6.986 -7.965 -8.716 303 HB2 GLN 41 1HB GLN 41 9.967 -7.337 -8.684 304 HB3 GLN 41 2HB GLN 41 9.189 -8.355 -9.905 305 HG2 GLN 41 1HG GLN 41 7.763 -6.582 -10.654 306 HG3 GLN 41 2HG GLN 41 8.285 -5.520 -9.341 307 HE21 GLN 41 1HE2 GLN 41 9.005 -6.487 -12.624 308 HE22 GLN 41 2HE2 GLN 41 10.521 -5.597 -12.698 309 H GLN 42 H GLN 42 9.465 -8.650 -6.221 310 HA GLN 42 HA GLN 42 9.319 -11.548 -6.697 311 HB2 GLN 42 1HB GLN 42 10.551 -9.987 -4.411 312 HB3 GLN 42 2HB GLN 42 10.708 -11.718 -4.716 313 HG2 GLN 42 1HG GLN 42 11.693 -11.096 -6.998 314 HG3 GLN 42 2HG GLN 42 11.863 -9.457 -6.358 315 HE21 GLN 42 1HE2 GLN 42 13.712 -11.959 -6.967 316 HE22 GLN 42 2HE2 GLN 42 14.748 -12.051 -5.557 317 H ARG 43 H ARG 43 6.716 -10.450 -6.421 318 HA ARG 43 HA ARG 43 5.665 -11.865 -4.121 319 HB2 ARG 43 1HB ARG 43 4.678 -9.036 -4.665 320 HB3 ARG 43 2HB ARG 43 4.229 -10.075 -3.345 321 HG2 ARG 43 1HG ARG 43 7.032 -8.894 -3.618 322 HG3 ARG 43 2HG ARG 43 5.693 -8.063 -2.877 323 HD2 ARG 43 1HD ARG 43 5.374 -9.856 -1.238 324 HD3 ARG 43 2HD ARG 43 6.699 -10.785 -1.947 325 HE ARG 43 HE ARG 43 6.800 -8.537 -0.138 326 HH11 ARG 43 1HH1 ARG 43 8.680 -10.197 -2.661 327 HH12 ARG 43 2HH1 ARG 43 10.208 -9.475 -2.202 328 HH21 ARG 43 1HH2 ARG 43 8.902 -7.741 0.558 329 HH22 ARG 43 2HH2 ARG 43 10.332 -8.194 -0.325 330 H ASN 44 H ASN 44 3.296 -12.089 -4.490 331 HA ASN 44 HA ASN 44 2.574 -12.400 -7.269 332 HB2 ASN 44 1HB ASN 44 0.860 -12.473 -4.742 333 HB3 ASN 44 2HB ASN 44 0.355 -12.949 -6.364 334 HD21 ASN 44 1HD2 ASN 44 2.084 -14.109 -3.479 335 HD22 ASN 44 2HD2 ASN 44 2.531 -15.610 -4.245 336 H LEU 45 H LEU 45 2.561 -9.603 -5.224 337 HA LEU 45 HA LEU 45 0.098 -8.412 -5.831 338 HB2 LEU 45 1HB LEU 45 2.800 -7.347 -4.996 339 HB3 LEU 45 2HB LEU 45 1.491 -6.220 -5.311 340 HG LEU 45 HG LEU 45 0.965 -8.539 -3.436 341 HD11 LEU 45 1HD1 LEU 45 3.058 -7.637 -2.631 342 HD12 LEU 45 2HD1 LEU 45 1.753 -7.131 -1.549 343 HD13 LEU 45 3HD1 LEU 45 2.434 -5.979 -2.738 344 HD21 LEU 45 3HD2 LEU 45 -0.546 -6.893 -2.367 345 HD22 LEU 45 1HD2 LEU 45 -0.932 -7.056 -4.079 346 HD23 LEU 45 2HD2 LEU 45 -0.028 -5.640 -3.512 347 HA PRO 46 HA PRO 46 0.643 -6.894 -9.978 348 HB2 PRO 46 1HB PRO 46 -1.165 -4.771 -9.997 349 HB3 PRO 46 2HB PRO 46 -1.644 -6.495 -10.112 350 HG2 PRO 46 1HG PRO 46 -1.582 -4.658 -7.750 351 HG3 PRO 46 2HG PRO 46 -2.825 -5.815 -8.230 352 HD2 PRO 46 1HD PRO 46 -0.963 -6.338 -6.278 353 HD3 PRO 46 2HD PRO 46 -1.590 -7.631 -7.345 354 H ALA 47 H ALA 47 1.318 -5.104 -11.209 355 HA ALA 47 HA ALA 47 3.453 -3.619 -9.955 356 HB1 ALA 47 1HB ALA 47 2.179 -3.172 -12.704 357 HB2 ALA 47 2HB ALA 47 3.801 -2.668 -12.196 358 HB3 ALA 47 3HB ALA 47 3.415 -4.396 -12.369 359 HA PRO 48 HA PRO 48 1.001 -0.260 -8.524 360 HB2 PRO 48 1HB PRO 48 2.860 1.744 -8.119 361 HB3 PRO 48 2HB PRO 48 2.727 0.268 -7.112 362 HG2 PRO 48 1HG PRO 48 4.590 0.780 -9.428 363 HG3 PRO 48 2HG PRO 48 4.990 0.108 -7.815 364 HD2 PRO 48 1HD PRO 48 4.591 -1.465 -9.998 365 HD3 PRO 48 2HD PRO 48 4.022 -1.977 -8.376 366 H ASP 49 H ASP 49 0.323 2.027 -8.893 367 HA ASP 49 HA ASP 49 -0.119 2.541 -11.730 368 HB2 ASP 49 1HB ASP 49 -0.860 4.198 -9.294 369 HB3 ASP 49 2HB ASP 49 -1.278 4.588 -10.919 370 H ALA 50 H ALA 50 0.419 4.747 -12.581 371 HA ALA 50 HA ALA 50 3.282 4.742 -12.607 372 HB1 ALA 50 1HB ALA 50 1.274 6.366 -14.212 373 HB2 ALA 50 2HB ALA 50 2.954 5.945 -14.658 374 HB3 ALA 50 3HB ALA 50 1.720 4.685 -14.560 375 H GLY 51 H GLY 51 2.811 5.697 -10.224 376 HA2 GLY 51 2HA GLY 51 4.194 7.977 -9.603 377 HA3 GLY 51 1HA GLY 51 2.582 8.589 -10.010 378 H SER 52 H SER 52 3.457 5.420 -8.400 379 HA SER 52 HA SER 52 2.333 6.315 -5.866 380 HB2 SER 52 1HB SER 52 0.609 4.527 -5.868 381 HB3 SER 52 2HB SER 52 0.322 5.675 -7.182 382 HG SER 52 HG SER 52 1.606 4.070 -8.480 383 H HIS 53 H HIS 53 2.423 4.391 -4.242 384 HA HIS 53 HA HIS 53 4.167 2.214 -5.118 385 HB2 HIS 53 1HB HIS 53 5.585 2.414 -3.181 386 HB3 HIS 53 2HB HIS 53 5.805 3.788 -4.265 387 HD1 HIS 53 1HD HIS 53 5.349 6.274 -3.088 388 HD2 HIS 53 2HD HIS 53 4.282 2.870 -0.796 389 HE1 HIS 53 1HE HIS 53 5.000 7.041 -0.722 390 H TRP 54 H TRP 54 4.139 0.407 -3.709 391 HA TRP 54 HA TRP 54 1.675 0.012 -2.202 392 HB2 TRP 54 1HB TRP 54 4.144 -1.688 -2.724 393 HB3 TRP 54 2HB TRP 54 2.857 -2.179 -1.627 394 HD1 TRP 54 HD TRP 54 3.756 -2.327 -5.225 395 HE1 TRP 54 1HE TRP 54 1.760 -3.139 -6.651 396 HE3 TRP 54 3HE TRP 54 0.082 -1.907 -1.728 397 HZ2 TRP 54 2HZ TRP 54 -1.131 -3.261 -6.334 398 HZ3 TRP 54 3HZ TRP 54 -2.308 -2.332 -2.322 399 HH2 TRP 54 HH TRP 54 -2.902 -2.923 -4.676 400 H THR 55 H THR 55 1.434 -0.017 -0.059 401 HA THR 55 HA THR 55 3.619 0.847 1.734 402 HB THR 55 HB THR 55 1.015 1.758 2.504 403 HG1 THR 55 1HG THR 55 0.558 1.659 0.195 404 HG21 THR 55 3HG2 THR 55 1.989 3.991 2.335 405 HG22 THR 55 1HG2 THR 55 3.395 3.320 1.478 406 HG23 THR 55 2HG2 THR 55 3.054 2.854 3.161 407 H TYR 56 H TYR 56 3.614 -0.343 3.675 408 HA TYR 56 HA TYR 56 1.553 -2.454 3.964 409 HB2 TYR 56 1HB TYR 56 4.102 -2.764 4.365 410 HB3 TYR 56 2HB TYR 56 3.849 -1.983 5.894 411 HD1 TYR 56 2HD TYR 56 0.855 -3.688 5.690 412 HD2 TYR 56 1HD TYR 56 5.073 -4.517 5.667 413 HE1 TYR 56 2HE TYR 56 0.384 -6.009 6.458 414 HE2 TYR 56 1HE TYR 56 4.633 -6.843 6.419 415 HH TYR 56 HH TYR 56 2.913 -8.341 7.293 416 H MET 57 H MET 57 -0.319 -1.496 4.658 417 HA MET 57 HA MET 57 -0.340 0.556 6.738 418 HB2 MET 57 1HB MET 57 -1.933 0.296 4.628 419 HB3 MET 57 2HB MET 57 -2.788 -0.857 5.628 420 HG2 MET 57 1HG MET 57 -3.692 0.819 6.838 421 HG3 MET 57 2HG MET 57 -2.138 1.589 7.114 422 HE1 MET 57 3HE MET 57 -1.187 3.496 5.946 423 HE2 MET 57 1HE MET 57 -1.045 2.645 4.392 424 HE3 MET 57 2HE MET 57 -1.782 4.258 4.458 425 H GLY 58 H GLY 58 -2.725 -0.645 8.023 426 HA2 GLY 58 2HA GLY 58 -1.534 -2.146 10.096 427 HA3 GLY 58 1HA GLY 58 -3.227 -1.746 9.894 428 H GLY 59 H GLY 59 -0.742 -3.808 8.303 429 HA2 GLY 59 2HA GLY 59 -0.729 -6.169 8.226 430 HA3 GLY 59 1HA GLY 59 -2.353 -6.159 8.857 431 H ASN 60 H ASN 60 -2.075 -3.966 6.229 432 HA ASN 60 HA ASN 60 -2.960 -5.887 4.199 433 HB2 ASN 60 1HB ASN 60 -4.049 -3.122 4.765 434 HB3 ASN 60 2HB ASN 60 -4.671 -4.278 3.579 435 HD21 ASN 60 1HD2 ASN 60 -5.126 -3.021 6.707 436 HD22 ASN 60 2HD2 ASN 60 -5.934 -4.362 7.479 437 H TYR 61 H TYR 61 -2.436 -4.940 2.082 438 HA TYR 61 HA TYR 61 -0.248 -2.937 2.177 439 HB2 TYR 61 1HB TYR 61 -0.876 -5.077 0.124 440 HB3 TYR 61 2HB TYR 61 0.359 -3.835 -0.055 441 HD1 TYR 61 1HD TYR 61 2.148 -3.649 1.910 442 HD2 TYR 61 2HD TYR 61 -0.283 -7.159 1.163 443 HE1 TYR 61 1HE TYR 61 3.801 -5.048 3.084 444 HE2 TYR 61 2HE TYR 61 1.408 -8.552 2.278 445 HH TYR 61 HH TYR 61 3.763 -7.408 4.297 446 H VAL 62 H VAL 62 -0.932 -0.912 1.560 447 HA VAL 62 HA VAL 62 -3.268 -0.747 -0.299 448 HB VAL 62 HB VAL 62 -3.624 1.490 0.503 449 HG11 VAL 62 1HG1 VAL 62 -4.587 0.978 2.674 450 HG12 VAL 62 2HG1 VAL 62 -4.775 -0.440 1.641 451 HG13 VAL 62 3HG1 VAL 62 -3.527 -0.427 2.884 452 HG21 VAL 62 3HG2 VAL 62 -1.381 2.136 1.251 453 HG22 VAL 62 1HG2 VAL 62 -2.577 2.377 2.517 454 HG23 VAL 62 2HG2 VAL 62 -1.469 0.988 2.596 455 H LEU 63 H LEU 63 -3.029 0.660 -2.059 456 HA LEU 63 HA LEU 63 -0.216 1.289 -2.866 457 HB2 LEU 63 1HB LEU 63 -1.435 -0.164 -4.457 458 HB3 LEU 63 2HB LEU 63 -2.774 0.973 -4.482 459 HG LEU 63 HG LEU 63 -1.278 2.689 -5.516 460 HD11 LEU 63 1HD1 LEU 63 0.801 0.507 -5.141 461 HD12 LEU 63 2HD1 LEU 63 0.902 2.264 -4.888 462 HD13 LEU 63 3HD1 LEU 63 0.921 1.630 -6.508 463 HD21 LEU 63 3HD2 LEU 63 -1.237 0.084 -7.056 464 HD22 LEU 63 1HD2 LEU 63 -1.215 1.754 -7.690 465 HD23 LEU 63 2HD2 LEU 63 -2.658 1.146 -6.887 466 H ILE 64 H ILE 64 0.276 3.472 -2.699 467 HA ILE 64 HA ILE 64 -1.968 5.404 -2.727 468 HB ILE 64 HB ILE 64 -0.919 6.666 -0.960 469 HG12 ILE 64 1HG1 ILE 64 0.824 4.950 0.368 470 HG13 ILE 64 2HG1 ILE 64 1.329 4.823 -1.327 471 HG21 ILE 64 1HG2 ILE 64 -2.666 5.096 -0.388 472 HG22 ILE 64 2HG2 ILE 64 -1.468 3.791 -0.195 473 HG23 ILE 64 3HG2 ILE 64 -1.422 5.183 0.883 474 HD11 ILE 64 3HD1 ILE 64 1.587 7.253 -1.447 475 HD12 ILE 64 1HD1 ILE 64 0.900 7.417 0.190 476 HD13 ILE 64 2HD1 ILE 64 2.467 6.639 -0.027 477 H THR 65 H THR 65 -1.698 7.139 -3.936 478 HA THR 65 HA THR 65 0.434 7.400 -5.801 479 HB THR 65 HB THR 65 -0.791 9.904 -5.660 480 HG1 THR 65 1HG THR 65 -3.016 9.313 -5.545 481 HG21 THR 65 3HG2 THR 65 -0.556 8.784 -7.737 482 HG22 THR 65 1HG2 THR 65 -2.282 9.045 -7.501 483 HG23 THR 65 2HG2 THR 65 -1.601 7.428 -7.231 484 H ASP 66 H ASP 66 2.388 8.525 -5.683 485 HA ASP 66 HA ASP 66 3.255 9.444 -3.054 486 HB2 ASP 66 1HB ASP 66 4.453 8.535 -5.368 487 HB3 ASP 66 2HB ASP 66 4.835 10.240 -5.434 488 H THR 67 H THR 67 1.271 10.840 -5.226 489 HA THR 67 HA THR 67 2.149 13.635 -4.731 490 HB THR 67 HB THR 67 2.808 12.674 -6.920 491 HG1 THR 67 1HG THR 67 1.814 14.582 -8.062 492 HG21 THR 67 3HG2 THR 67 0.890 11.290 -7.473 493 HG22 THR 67 1HG2 THR 67 1.180 12.479 -8.734 494 HG23 THR 67 2HG2 THR 67 -0.156 12.725 -7.589 495 H GLU 68 H GLU 68 0.063 11.693 -3.506 496 HA GLU 68 HA GLU 68 -1.952 13.633 -3.037 497 HB2 GLU 68 1HB GLU 68 -2.760 12.816 -5.292 498 HB3 GLU 68 2HB GLU 68 -2.758 11.190 -4.703 499 HG2 GLU 68 1HG GLU 68 -4.958 12.003 -4.700 500 HG3 GLU 68 2HG GLU 68 -4.454 11.834 -3.016 501 H GLY 69 H GLY 69 -1.196 10.154 -3.211 502 HA2 GLY 69 2HA GLY 69 -1.379 8.437 -1.872 503 HA3 GLY 69 1HA GLY 69 -1.563 9.470 -0.482 504 H LYS 70 H LYS 70 -3.568 9.348 -3.403 505 HA LYS 70 HA LYS 70 -6.088 8.713 -2.083 506 HB2 LYS 70 1HB LYS 70 -5.040 8.924 -4.901 507 HB3 LYS 70 2HB LYS 70 -6.276 7.728 -4.627 508 HG2 LYS 70 1HG LYS 70 -7.091 10.223 -3.357 509 HG3 LYS 70 2HG LYS 70 -6.614 10.528 -5.019 510 HD2 LYS 70 1HD LYS 70 -8.599 8.410 -4.127 511 HD3 LYS 70 2HD LYS 70 -9.050 9.981 -4.754 512 HE2 LYS 70 1HE LYS 70 -7.483 7.857 -6.301 513 HE3 LYS 70 2HE LYS 70 -9.202 8.210 -6.488 514 HZ1 LYS 70 3HZ LYS 70 -8.673 10.363 -7.279 515 HZ2 LYS 70 1HZ LYS 70 -7.789 9.265 -8.151 516 HZ3 LYS 70 2HZ LYS 70 -7.036 10.159 -7.033 517 H ILE 71 H ILE 71 -6.847 6.651 -1.704 518 HA ILE 71 HA ILE 71 -4.976 4.415 -1.708 519 HB ILE 71 HB ILE 71 -7.874 4.783 -0.814 520 HG12 ILE 71 1HG1 ILE 71 -5.150 4.659 0.627 521 HG13 ILE 71 2HG1 ILE 71 -6.160 6.090 0.451 522 HG21 ILE 71 1HG2 ILE 71 -6.063 2.398 -0.235 523 HG22 ILE 71 2HG2 ILE 71 -7.733 2.666 0.347 524 HG23 ILE 71 3HG2 ILE 71 -7.442 2.390 -1.361 525 HD11 ILE 71 3HD1 ILE 71 -7.856 5.100 1.862 526 HD12 ILE 71 1HD1 ILE 71 -6.823 3.666 2.140 527 HD13 ILE 71 2HD1 ILE 71 -6.306 5.267 2.683 528 H LEU 72 H LEU 72 -4.538 4.215 -3.923 529 HA LEU 72 HA LEU 72 -6.471 4.048 -5.975 530 HB2 LEU 72 1HB LEU 72 -3.701 2.782 -5.808 531 HB3 LEU 72 2HB LEU 72 -4.643 2.972 -7.266 532 HG LEU 72 HG LEU 72 -3.050 4.628 -7.399 533 HD11 LEU 72 1HD1 LEU 72 -4.165 6.758 -7.347 534 HD12 LEU 72 2HD1 LEU 72 -5.315 6.177 -6.124 535 HD13 LEU 72 3HD1 LEU 72 -5.373 5.539 -7.777 536 HD21 LEU 72 3HD2 LEU 72 -2.712 6.290 -5.513 537 HD22 LEU 72 1HD2 LEU 72 -1.782 4.795 -5.751 538 HD23 LEU 72 2HD2 LEU 72 -3.077 4.851 -4.563 539 H LYS 73 H LYS 73 -4.853 1.522 -4.031 540 HA LYS 73 HA LYS 73 -6.927 -0.472 -4.637 541 HB2 LYS 73 1HB LYS 73 -4.021 -0.726 -5.526 542 HB3 LYS 73 2HB LYS 73 -4.994 -2.140 -5.108 543 HG2 LYS 73 1HG LYS 73 -6.695 -1.504 -6.756 544 HG3 LYS 73 2HG LYS 73 -5.709 -0.132 -7.283 545 HD2 LYS 73 1HD LYS 73 -4.779 -3.036 -7.335 546 HD3 LYS 73 2HD LYS 73 -5.625 -2.286 -8.655 547 HE2 LYS 73 1HE LYS 73 -3.003 -1.222 -7.522 548 HE3 LYS 73 2HE LYS 73 -3.122 -2.338 -8.886 549 HZ1 LYS 73 3HZ LYS 73 -4.284 -0.714 -10.134 550 HZ2 LYS 73 1HZ LYS 73 -2.965 0.040 -9.581 551 HZ3 LYS 73 2HZ LYS 73 -4.427 0.343 -8.904 552 H VAL 74 H VAL 74 -6.669 -2.351 -3.247 553 HA VAL 74 HA VAL 74 -4.921 -2.108 -0.906 554 HB VAL 74 HB VAL 74 -7.956 -2.402 -0.690 555 HG11 VAL 74 1HG1 VAL 74 -5.676 -2.546 1.339 556 HG12 VAL 74 2HG1 VAL 74 -7.278 -1.960 1.795 557 HG13 VAL 74 3HG1 VAL 74 -7.118 -3.578 1.160 558 HG21 VAL 74 3HG2 VAL 74 -7.491 -0.061 -1.183 559 HG22 VAL 74 1HG2 VAL 74 -7.911 -0.229 0.512 560 HG23 VAL 74 2HG2 VAL 74 -6.211 -0.014 0.037 561 H TYR 75 H TYR 75 -4.179 -4.114 -0.396 562 HA TYR 75 HA TYR 75 -5.776 -6.475 -1.107 563 HB2 TYR 75 1HB TYR 75 -2.789 -6.096 -1.507 564 HB3 TYR 75 2HB TYR 75 -3.540 -7.683 -1.377 565 HD1 TYR 75 1HD TYR 75 -3.544 -4.559 -3.360 566 HD2 TYR 75 2HD TYR 75 -4.754 -8.666 -3.197 567 HE1 TYR 75 1HE TYR 75 -4.205 -4.457 -5.768 568 HE2 TYR 75 2HE TYR 75 -5.407 -8.599 -5.551 569 HH TYR 75 HH TYR 75 -5.907 -7.090 -7.363 570 H ASP 76 H ASP 76 -5.529 -8.181 0.485 571 HA ASP 76 HA ASP 76 -4.884 -7.316 3.172 572 HB2 ASP 76 1HB ASP 76 -6.645 -8.954 2.639 573 HB3 ASP 76 2HB ASP 76 -5.444 -10.050 1.950 574 H GLY 77 H GLY 77 -3.203 -8.424 4.535 575 HA2 GLY 77 2HA GLY 77 -0.594 -8.401 3.350 576 HA3 GLY 77 1HA GLY 77 -1.028 -8.934 4.970 577 H GLU 78 H GLU 78 -2.966 -11.067 3.724 578 HA GLU 78 HA GLU 78 -1.105 -13.118 3.994 579 HB2 GLU 78 1HB GLU 78 -3.945 -13.105 2.972 580 HB3 GLU 78 2HB GLU 78 -3.006 -14.595 3.174 581 HG2 GLU 78 1HG GLU 78 -2.610 -14.201 5.488 582 HG3 GLU 78 2HG GLU 78 -3.296 -12.597 5.456 583 H ILE 79 H ILE 79 -1.843 -11.341 1.183 584 HA ILE 79 HA ILE 79 -1.095 -13.188 -0.851 585 HB ILE 79 HB ILE 79 -2.276 -10.994 -1.110 586 HG12 ILE 79 1HG1 ILE 79 0.168 -11.185 -2.877 587 HG13 ILE 79 2HG1 ILE 79 -1.183 -12.318 -2.993 588 HG21 ILE 79 1HG2 ILE 79 -1.139 -8.904 -1.136 589 HG22 ILE 79 2HG2 ILE 79 -0.592 -9.686 0.342 590 HG23 ILE 79 3HG2 ILE 79 0.469 -9.666 -1.070 591 HD11 ILE 79 3HD1 ILE 79 -1.441 -9.306 -3.376 592 HD12 ILE 79 1HD1 ILE 79 -1.331 -10.505 -4.671 593 HD13 ILE 79 2HD1 ILE 79 -2.725 -10.516 -3.568 594 H PHE 80 H PHE 80 0.826 -11.638 1.582 595 HA PHE 80 HA PHE 80 3.361 -11.631 0.224 596 HB2 PHE 80 1HB PHE 80 2.778 -10.210 2.202 597 HB3 PHE 80 2HB PHE 80 2.632 -11.656 3.180 598 HD1 PHE 80 1HD PHE 80 5.420 -11.053 0.712 599 HD2 PHE 80 2HD PHE 80 4.232 -11.162 4.862 600 HE1 PHE 80 1HE PHE 80 7.783 -10.971 1.388 601 HE2 PHE 80 2HE PHE 80 6.611 -11.029 5.531 602 HZ PHE 80 HZ PHE 80 8.401 -10.968 3.779 603 H TYR 81 H TYR 81 1.583 -14.089 2.149 604 HA TYR 81 HA TYR 81 4.002 -15.783 2.277 605 HB2 TYR 81 1HB TYR 81 1.262 -16.621 3.205 606 HB3 TYR 81 2HB TYR 81 2.831 -17.197 3.733 607 HD1 TYR 81 1HD TYR 81 0.328 -14.580 3.994 608 HD2 TYR 81 2HD TYR 81 4.081 -15.980 5.518 609 HE1 TYR 81 1HE TYR 81 0.163 -12.916 5.841 610 HE2 TYR 81 2HE TYR 81 3.872 -14.430 7.451 611 HH TYR 81 HH TYR 81 2.226 -13.252 8.645 612 H HIS 82 H HIS 82 1.335 -15.258 0.172 613 HA HIS 82 HA HIS 82 0.824 -17.894 -0.731 614 HB2 HIS 82 1HB HIS 82 -0.746 -16.003 -1.040 615 HB3 HIS 82 2HB HIS 82 0.423 -15.191 -2.068 616 HD1 HIS 82 1HD HIS 82 -0.640 -18.946 -2.464 617 HD2 HIS 82 2HD HIS 82 -0.850 -15.170 -4.332 618 HE1 HIS 82 1HE HIS 82 -1.331 -19.360 -4.871 619 H ARG 83 H ARG 83 1.465 -18.788 -2.872 620 HA ARG 83 HA ARG 83 4.127 -18.115 -3.729 621 HB2 ARG 83 1HB ARG 83 3.355 -20.283 -1.908 622 HB3 ARG 83 2HB ARG 83 3.717 -21.002 -3.479 623 HG2 ARG 83 1HG ARG 83 5.887 -20.001 -3.527 624 HG3 ARG 83 2HG ARG 83 5.536 -19.012 -2.107 625 HD2 ARG 83 1HD ARG 83 5.395 -22.037 -1.911 626 HD3 ARG 83 2HD ARG 83 6.982 -21.256 -1.944 627 HE ARG 83 HE ARG 83 5.900 -19.774 -0.096 628 HH11 ARG 83 1HH1 ARG 83 5.727 -23.396 -0.329 629 HH12 ARG 83 2HH1 ARG 83 5.665 -23.591 1.374 630 HH21 ARG 83 1HH2 ARG 83 5.997 -20.205 2.223 631 HH22 ARG 83 2HH2 ARG 83 5.894 -21.871 2.757 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -14.434 -19.451 -5.638 2 HA2 GLY 1 2HA GLY 1 -13.892 -19.460 -8.008 3 HA3 GLY 1 1HA GLY 1 -13.988 -17.790 -7.421 4 H ALA 2 H ALA 2 -11.906 -20.379 -8.476 5 HA ALA 2 HA ALA 2 -9.747 -20.643 -8.860 6 HB1 ALA 2 1HB ALA 2 -8.489 -18.875 -9.998 7 HB2 ALA 2 2HB ALA 2 -10.130 -18.980 -10.628 8 HB3 ALA 2 3HB ALA 2 -9.695 -17.675 -9.499 9 H ALA 3 H ALA 3 -7.410 -19.192 -8.335 10 HA ALA 3 HA ALA 3 -7.533 -18.132 -5.643 11 HB1 ALA 3 1HB ALA 3 -5.822 -19.608 -4.699 12 HB2 ALA 3 2HB ALA 3 -7.278 -20.529 -5.118 13 HB3 ALA 3 3HB ALA 3 -5.837 -20.606 -6.165 14 H GLY 4 H GLY 4 -7.214 -16.535 -7.505 15 HA2 GLY 4 2HA GLY 4 -4.329 -15.974 -7.815 16 HA3 GLY 4 1HA GLY 4 -5.625 -15.241 -8.784 17 H ILE 5 H ILE 5 -4.443 -13.374 -7.788 18 HA ILE 5 HA ILE 5 -4.442 -12.845 -5.038 19 HB ILE 5 HB ILE 5 -3.753 -10.585 -5.672 20 HG12 ILE 5 1HG1 ILE 5 -4.637 -11.211 -8.528 21 HG13 ILE 5 2HG1 ILE 5 -5.465 -10.120 -7.415 22 HG21 ILE 5 1HG2 ILE 5 -2.597 -12.519 -7.737 23 HG22 ILE 5 2HG2 ILE 5 -1.789 -11.150 -6.969 24 HG23 ILE 5 3HG2 ILE 5 -2.202 -12.570 -6.006 25 HD11 ILE 5 3HD1 ILE 5 -3.393 -8.711 -7.293 26 HD12 ILE 5 1HD1 ILE 5 -2.707 -9.717 -8.587 27 HD13 ILE 5 2HD1 ILE 5 -4.170 -8.773 -8.891 28 H ASP 6 H ASP 6 -7.143 -12.601 -7.115 29 HA ASP 6 HA ASP 6 -8.301 -10.202 -6.255 30 HB2 ASP 6 1HB ASP 6 -8.804 -11.746 -8.219 31 HB3 ASP 6 2HB ASP 6 -9.885 -12.627 -7.140 32 H GLN 7 H GLN 7 -8.283 -13.329 -4.688 33 HA GLN 7 HA GLN 7 -10.521 -13.084 -2.962 34 HB2 GLN 7 1HB GLN 7 -9.422 -14.848 -1.703 35 HB3 GLN 7 2HB GLN 7 -9.205 -15.136 -3.436 36 HG2 GLN 7 1HG GLN 7 -6.896 -14.045 -3.225 37 HG3 GLN 7 2HG GLN 7 -7.121 -14.080 -1.484 38 HE21 GLN 7 1HE2 GLN 7 -6.185 -15.851 -4.239 39 HE22 GLN 7 2HE2 GLN 7 -6.019 -17.425 -3.457 40 H TYR 8 H TYR 8 -7.323 -11.585 -2.871 41 HA TYR 8 HA TYR 8 -7.645 -10.782 -0.042 42 HB2 TYR 8 1HB TYR 8 -5.310 -10.199 -1.871 43 HB3 TYR 8 2HB TYR 8 -5.352 -10.153 -0.130 44 HD1 TYR 8 2HD TYR 8 -5.723 -12.475 1.082 45 HD2 TYR 8 1HD TYR 8 -4.451 -12.028 -2.992 46 HE1 TYR 8 2HE TYR 8 -4.722 -14.745 1.151 47 HE2 TYR 8 1HE TYR 8 -3.482 -14.286 -2.963 48 HH TYR 8 HH TYR 8 -3.410 -16.345 0.000 49 H ALA 9 H ALA 9 -8.704 -9.596 -3.068 50 HA ALA 9 HA ALA 9 -7.787 -6.855 -2.771 51 HB1 ALA 9 1HB ALA 9 -9.144 -6.420 -4.717 52 HB2 ALA 9 2HB ALA 9 -8.242 -7.926 -4.977 53 HB3 ALA 9 3HB ALA 9 -9.966 -7.999 -4.567 54 H LEU 10 H LEU 10 -8.411 -6.098 -0.822 55 HA LEU 10 HA LEU 10 -11.092 -6.297 0.261 56 HB2 LEU 10 1HB LEU 10 -8.667 -4.604 0.993 57 HB3 LEU 10 2HB LEU 10 -10.149 -4.623 1.923 58 HG LEU 10 HG LEU 10 -8.464 -7.122 1.475 59 HD11 LEU 10 1HD1 LEU 10 -7.117 -5.462 2.650 60 HD12 LEU 10 2HD1 LEU 10 -7.619 -6.734 3.763 61 HD13 LEU 10 3HD1 LEU 10 -8.439 -5.150 3.799 62 HD21 LEU 10 3HD2 LEU 10 -9.727 -7.931 3.470 63 HD22 LEU 10 1HD2 LEU 10 -10.789 -7.587 2.112 64 HD23 LEU 10 2HD2 LEU 10 -10.695 -6.428 3.448 65 H LYS 11 H LYS 11 -12.715 -4.682 0.032 66 HA LYS 11 HA LYS 11 -12.048 -2.521 -1.894 67 HB2 LYS 11 1HB LYS 11 -14.718 -3.486 -0.754 68 HB3 LYS 11 2HB LYS 11 -14.560 -2.034 -1.742 69 HG2 LYS 11 1HG LYS 11 -13.547 -3.340 -3.567 70 HG3 LYS 11 2HG LYS 11 -13.747 -4.832 -2.642 71 HD2 LYS 11 1HD LYS 11 -16.052 -4.877 -2.884 72 HD3 LYS 11 2HD LYS 11 -16.200 -3.130 -3.150 73 HE2 LYS 11 1HE LYS 11 -14.690 -4.898 -5.097 74 HE3 LYS 11 2HE LYS 11 -16.446 -4.743 -5.218 75 HZ1 LYS 11 3HZ LYS 11 -14.738 -2.353 -5.146 76 HZ2 LYS 11 1HZ LYS 11 -16.253 -2.504 -5.744 77 HZ3 LYS 11 2HZ LYS 11 -14.929 -3.129 -6.537 78 H GLU 12 H GLU 12 -12.484 -3.059 1.499 79 HA GLU 12 HA GLU 12 -11.895 -0.288 2.115 80 HB2 GLU 12 1HB GLU 12 -13.855 -0.132 3.682 81 HB3 GLU 12 2HB GLU 12 -14.300 -0.215 1.985 82 HG2 GLU 12 1HG GLU 12 -14.501 -2.855 2.542 83 HG3 GLU 12 2HG GLU 12 -14.692 -2.247 4.172 84 H PHE 13 H PHE 13 -11.416 -0.101 4.484 85 HA PHE 13 HA PHE 13 -11.135 -2.421 6.110 86 HB2 PHE 13 1HB PHE 13 -8.756 -2.487 6.419 87 HB3 PHE 13 2HB PHE 13 -9.113 -2.816 4.759 88 HD1 PHE 13 1HD PHE 13 -9.098 -0.368 3.256 89 HD2 PHE 13 2HD PHE 13 -6.735 -1.375 6.734 90 HE1 PHE 13 1HE PHE 13 -7.388 1.251 2.569 91 HE2 PHE 13 2HE PHE 13 -4.958 0.216 5.949 92 HZ PHE 13 HZ PHE 13 -5.333 1.562 3.919 93 H THR 14 H THR 14 -9.839 -1.671 8.178 94 HA THR 14 HA THR 14 -10.028 1.258 8.575 95 HB THR 14 HB THR 14 -10.812 -0.701 10.740 96 HG1 THR 14 1HG THR 14 -12.871 -0.224 10.389 97 HG21 THR 14 3HG2 THR 14 -9.929 1.566 11.449 98 HG22 THR 14 1HG2 THR 14 -11.578 1.199 11.980 99 HG23 THR 14 2HG2 THR 14 -11.325 2.283 10.609 100 H ALA 15 H ALA 15 -8.054 1.967 9.191 101 HA ALA 15 HA ALA 15 -6.322 0.262 10.865 102 HB1 ALA 15 1HB ALA 15 -5.424 -0.186 8.643 103 HB2 ALA 15 2HB ALA 15 -5.477 1.529 8.245 104 HB3 ALA 15 3HB ALA 15 -4.350 0.935 9.494 105 H ASP 16 H ASP 16 -4.972 1.696 12.229 106 HA ASP 16 HA ASP 16 -4.596 3.602 13.402 107 HB2 ASP 16 1HB ASP 16 -4.064 4.181 10.798 108 HB3 ASP 16 2HB ASP 16 -5.309 5.388 11.094 109 H PHE 17 H PHE 17 -7.209 2.483 13.224 110 HA PHE 17 HA PHE 17 -9.350 2.744 13.910 111 HB2 PHE 17 1HB PHE 17 -8.633 5.435 15.107 112 HB3 PHE 17 2HB PHE 17 -9.857 4.301 15.652 113 HD1 PHE 17 2HD PHE 17 -9.149 2.144 16.772 114 HD2 PHE 17 1HD PHE 17 -6.297 5.230 15.768 115 HE1 PHE 17 2HE PHE 17 -7.485 1.083 18.252 116 HE2 PHE 17 1HE PHE 17 -4.666 4.218 17.318 117 HZ PHE 17 HZ PHE 17 -5.235 2.158 18.566 118 H THR 18 H THR 18 -8.406 4.011 11.343 119 HA THR 18 HA THR 18 -10.499 6.077 10.867 120 HB THR 18 HB THR 18 -7.758 5.729 9.569 121 HG1 THR 18 1HG THR 18 -7.637 6.416 11.759 122 HG21 THR 18 3HG2 THR 18 -9.431 6.869 8.125 123 HG22 THR 18 1HG2 THR 18 -8.152 7.972 8.650 124 HG23 THR 18 2HG2 THR 18 -9.745 8.037 9.429 125 H GLN 19 H GLN 19 -11.946 5.467 9.237 126 HA GLN 19 HA GLN 19 -11.560 2.763 8.110 127 HB2 GLN 19 1HB GLN 19 -13.700 3.402 9.211 128 HB3 GLN 19 2HB GLN 19 -13.967 4.634 7.963 129 HG2 GLN 19 1HG GLN 19 -14.251 3.016 6.268 130 HG3 GLN 19 2HG GLN 19 -13.373 1.773 7.157 131 HE21 GLN 19 1HE2 GLN 19 -14.453 0.347 8.315 132 HE22 GLN 19 2HE2 GLN 19 -16.190 0.304 8.277 133 H PHE 20 H PHE 20 -11.629 2.408 5.859 134 HA PHE 20 HA PHE 20 -11.123 4.740 4.081 135 HB2 PHE 20 1HB PHE 20 -9.287 2.347 4.493 136 HB3 PHE 20 2HB PHE 20 -9.098 3.562 3.254 137 HD1 PHE 20 2HD PHE 20 -8.752 6.082 4.108 138 HD2 PHE 20 1HD PHE 20 -8.212 2.554 6.525 139 HE1 PHE 20 2HE PHE 20 -7.167 7.328 5.547 140 HE2 PHE 20 1HE PHE 20 -6.641 3.834 7.993 141 HZ PHE 20 HZ PHE 20 -6.073 6.196 7.467 142 H HIS 21 H HIS 21 -11.390 4.290 1.927 143 HA HIS 21 HA HIS 21 -12.383 1.597 1.134 144 HB2 HIS 21 1HB HIS 21 -13.517 4.261 0.205 145 HB3 HIS 21 2HB HIS 21 -14.152 2.651 -0.101 146 HD1 HIS 21 1HD HIS 21 -13.808 5.177 2.805 147 HD2 HIS 21 2HD HIS 21 -15.786 1.598 1.733 148 HE1 HIS 21 1HE HIS 21 -15.524 4.691 4.657 149 H ILE 22 H ILE 22 -12.146 1.293 -1.265 150 HA ILE 22 HA ILE 22 -9.776 2.419 -2.425 151 HB ILE 22 HB ILE 22 -12.204 1.313 -3.890 152 HG12 ILE 22 1HG1 ILE 22 -11.466 -0.443 -2.518 153 HG13 ILE 22 2HG1 ILE 22 -10.830 -0.777 -4.111 154 HG21 ILE 22 1HG2 ILE 22 -10.835 2.597 -5.422 155 HG22 ILE 22 2HG2 ILE 22 -9.359 1.825 -4.825 156 HG23 ILE 22 3HG2 ILE 22 -10.556 0.887 -5.741 157 HD11 ILE 22 3HD1 ILE 22 -8.600 0.195 -3.298 158 HD12 ILE 22 1HD1 ILE 22 -9.307 0.210 -1.669 159 HD13 ILE 22 2HD1 ILE 22 -9.116 -1.322 -2.531 160 H GLY 23 H GLY 23 -9.416 4.468 -2.899 161 HA2 GLY 23 2HA GLY 23 -9.721 6.473 -3.972 162 HA3 GLY 23 1HA GLY 23 -11.446 6.213 -4.130 163 H ASP 24 H ASP 24 -10.407 5.651 -0.881 164 HA ASP 24 HA ASP 24 -10.921 8.390 0.140 165 HB2 ASP 24 1HB ASP 24 -10.391 5.690 1.288 166 HB3 ASP 24 2HB ASP 24 -9.488 6.938 2.071 167 H THR 25 H THR 25 -8.701 9.070 1.647 168 HA THR 25 HA THR 25 -6.304 8.680 0.025 169 HB THR 25 HB THR 25 -6.008 11.012 1.351 170 HG1 THR 25 1HG THR 25 -8.658 11.114 0.443 171 HG21 THR 25 3HG2 THR 25 -6.343 12.252 -0.759 172 HG22 THR 25 1HG2 THR 25 -7.223 10.872 -1.438 173 HG23 THR 25 2HG2 THR 25 -5.490 10.750 -1.071 174 H VAL 26 H VAL 26 -4.300 8.790 1.367 175 HA VAL 26 HA VAL 26 -4.776 7.759 4.119 176 HB VAL 26 HB VAL 26 -2.599 6.854 4.040 177 HG11 VAL 26 1HG1 VAL 26 -4.498 5.702 2.849 178 HG12 VAL 26 2HG1 VAL 26 -3.777 6.254 1.331 179 HG13 VAL 26 3HG1 VAL 26 -2.866 5.168 2.414 180 HG21 VAL 26 3HG2 VAL 26 -2.147 8.076 1.288 181 HG22 VAL 26 1HG2 VAL 26 -1.349 8.582 2.781 182 HG23 VAL 26 2HG2 VAL 26 -1.058 6.971 2.151 183 HA PRO 27 HA PRO 27 -2.647 11.418 5.839 184 HB2 PRO 27 1HB PRO 27 -1.534 10.344 8.111 185 HB3 PRO 27 2HB PRO 27 -3.257 10.728 7.967 186 HG2 PRO 27 1HG PRO 27 -1.914 8.075 7.659 187 HG3 PRO 27 2HG PRO 27 -3.446 8.427 8.517 188 HD2 PRO 27 1HD PRO 27 -3.380 7.391 5.992 189 HD3 PRO 27 2HD PRO 27 -4.668 8.494 6.534 190 H ALA 28 H ALA 28 -0.428 12.139 6.211 191 HA ALA 28 HA ALA 28 1.428 10.963 4.440 192 HB1 ALA 28 1HB ALA 28 1.396 13.368 4.966 193 HB2 ALA 28 2HB ALA 28 1.938 13.005 6.622 194 HB3 ALA 28 3HB ALA 28 2.995 12.662 5.247 195 H MET 29 H MET 29 0.670 10.100 7.610 196 HA MET 29 HA MET 29 2.995 8.979 8.712 197 HB2 MET 29 1HB MET 29 0.137 7.918 8.780 198 HB3 MET 29 2HB MET 29 1.415 7.448 9.873 199 HG2 MET 29 1HG MET 29 1.339 10.307 9.814 200 HG3 MET 29 2HG MET 29 -0.317 9.778 9.921 201 HE1 MET 29 3HE MET 29 2.419 7.482 11.798 202 HE2 MET 29 1HE MET 29 3.230 9.055 11.590 203 HE3 MET 29 2HE MET 29 2.732 8.495 13.199 204 H TYR 30 H TYR 30 1.110 7.893 5.965 205 HA TYR 30 HA TYR 30 2.846 5.442 5.812 206 HB2 TYR 30 1HB TYR 30 0.118 5.947 4.565 207 HB3 TYR 30 2HB TYR 30 1.042 4.452 4.508 208 HD1 TYR 30 2HD TYR 30 1.604 3.267 6.768 209 HD2 TYR 30 1HD TYR 30 -1.305 6.417 6.392 210 HE1 TYR 30 2HE TYR 30 0.744 2.744 9.030 211 HE2 TYR 30 1HE TYR 30 -2.101 5.955 8.719 212 HH TYR 30 HH TYR 30 -1.656 4.810 10.688 213 H LEU 31 H LEU 31 2.084 8.435 4.207 214 HA LEU 31 HA LEU 31 3.143 7.720 1.575 215 HB2 LEU 31 1HB LEU 31 2.710 10.373 3.006 216 HB3 LEU 31 2HB LEU 31 3.396 10.284 1.413 217 HG LEU 31 HG LEU 31 0.880 8.719 1.742 218 HD11 LEU 31 1HD1 LEU 31 0.853 11.710 1.969 219 HD12 LEU 31 2HD1 LEU 31 -0.017 10.485 2.921 220 HD13 LEU 31 3HD1 LEU 31 -0.508 10.789 1.263 221 HD21 LEU 31 3HD2 LEU 31 1.786 10.727 -0.360 222 HD22 LEU 31 1HD2 LEU 31 0.511 9.500 -0.518 223 HD23 LEU 31 2HD2 LEU 31 2.204 8.999 -0.386 224 H THR 32 H THR 32 4.548 8.603 4.660 225 HA THR 32 HA THR 32 7.031 9.606 3.862 226 HB THR 32 HB THR 32 6.077 9.677 6.099 227 HG1 THR 32 1HG THR 32 7.814 9.109 7.317 228 HG21 THR 32 3HG2 THR 32 6.657 6.723 6.354 229 HG22 THR 32 1HG2 THR 32 5.036 7.402 6.159 230 HG23 THR 32 2HG2 THR 32 5.977 7.781 7.607 231 HA PRO 33 HA PRO 33 8.826 6.173 1.711 232 HB2 PRO 33 1HB PRO 33 11.509 6.668 1.952 233 HB3 PRO 33 2HB PRO 33 10.369 7.644 0.987 234 HG2 PRO 33 1HG PRO 33 11.362 8.196 3.792 235 HG3 PRO 33 2HG PRO 33 11.316 9.315 2.388 236 HD2 PRO 33 1HD PRO 33 9.359 9.309 4.256 237 HD3 PRO 33 2HD PRO 33 8.971 9.535 2.525 238 H GLU 34 H GLU 34 8.943 6.289 5.043 239 HA GLU 34 HA GLU 34 10.730 4.185 5.803 240 HB2 GLU 34 1HB GLU 34 8.345 5.613 7.008 241 HB3 GLU 34 2HB GLU 34 8.835 4.108 7.753 242 HG2 GLU 34 1HG GLU 34 10.626 6.534 7.309 243 HG3 GLU 34 2HG GLU 34 9.850 6.070 8.828 244 H TYR 35 H TYR 35 7.385 4.156 4.651 245 HA TYR 35 HA TYR 35 7.250 1.198 5.083 246 HB2 TYR 35 1HB TYR 35 4.951 3.137 4.787 247 HB3 TYR 35 2HB TYR 35 4.864 1.436 5.231 248 HD1 TYR 35 2HD TYR 35 5.797 0.657 7.470 249 HD2 TYR 35 1HD TYR 35 5.459 4.822 6.401 250 HE1 TYR 35 2HE TYR 35 6.168 1.318 9.845 251 HE2 TYR 35 1HE TYR 35 5.814 5.474 8.734 252 HH TYR 35 HH TYR 35 7.070 3.239 11.102 253 H ASN 36 H ASN 36 7.987 3.240 2.724 254 HA ASN 36 HA ASN 36 6.400 2.625 0.489 255 HB2 ASN 36 1HB ASN 36 7.858 4.544 0.580 256 HB3 ASN 36 2HB ASN 36 9.286 3.514 0.778 257 HD21 ASN 36 1HD2 ASN 36 9.871 5.044 -1.109 258 HD22 ASN 36 2HD2 ASN 36 9.443 4.467 -2.687 259 H ILE 37 H ILE 37 5.983 0.476 0.210 260 HA ILE 37 HA ILE 37 8.175 -1.415 -0.239 261 HB ILE 37 HB ILE 37 5.212 -1.877 -0.642 262 HG12 ILE 37 1HG1 ILE 37 6.926 -3.042 1.587 263 HG13 ILE 37 2HG1 ILE 37 6.063 -1.523 1.845 264 HG21 ILE 37 1HG2 ILE 37 7.718 -3.646 -0.701 265 HG22 ILE 37 2HG2 ILE 37 6.087 -4.311 -0.654 266 HG23 ILE 37 3HG2 ILE 37 6.588 -3.366 -2.036 267 HD11 ILE 37 3HD1 ILE 37 3.945 -2.494 1.496 268 HD12 ILE 37 1HD1 ILE 37 4.642 -4.013 0.907 269 HD13 ILE 37 2HD1 ILE 37 4.840 -3.565 2.605 270 H LYS 38 H LYS 38 9.027 0.223 -1.571 271 HA LYS 38 HA LYS 38 8.314 0.429 -4.332 272 HB2 LYS 38 1HB LYS 38 10.686 0.964 -4.656 273 HB3 LYS 38 2HB LYS 38 10.029 1.796 -3.267 274 HG2 LYS 38 1HG LYS 38 11.054 -0.327 -1.942 275 HG3 LYS 38 2HG LYS 38 12.040 -0.413 -3.407 276 HD2 LYS 38 1HD LYS 38 13.346 0.835 -1.945 277 HD3 LYS 38 2HD LYS 38 12.575 2.081 -2.953 278 HE2 LYS 38 1HE LYS 38 10.824 2.345 -1.133 279 HE3 LYS 38 2HE LYS 38 11.701 1.177 -0.160 280 HZ1 LYS 38 3HZ LYS 38 12.399 3.258 0.563 281 HZ2 LYS 38 1HZ LYS 38 12.599 3.865 -0.958 282 HZ3 LYS 38 2HZ LYS 38 13.652 2.754 -0.345 283 H GLN 39 H GLN 39 9.845 -2.213 -2.401 284 HA GLN 39 HA GLN 39 10.513 -3.842 -4.678 285 HB2 GLN 39 1HB GLN 39 10.417 -4.197 -1.660 286 HB3 GLN 39 2HB GLN 39 10.953 -5.472 -2.753 287 HG2 GLN 39 1HG GLN 39 12.767 -4.114 -3.594 288 HG3 GLN 39 2HG GLN 39 12.203 -2.691 -2.716 289 HE21 GLN 39 1HE2 GLN 39 12.945 -6.182 -1.891 290 HE22 GLN 39 2HE2 GLN 39 13.655 -5.741 -0.359 291 H TRP 40 H TRP 40 8.372 -3.869 -5.748 292 HA TRP 40 HA TRP 40 6.272 -5.462 -4.452 293 HB2 TRP 40 1HB TRP 40 5.108 -5.229 -6.626 294 HB3 TRP 40 2HB TRP 40 5.444 -3.733 -5.774 295 HD1 TRP 40 HD TRP 40 7.215 -2.053 -6.889 296 HE1 TRP 40 1HE TRP 40 7.891 -1.654 -9.299 297 HE3 TRP 40 3HE TRP 40 5.433 -6.410 -8.903 298 HZ2 TRP 40 2HZ TRP 40 7.538 -2.998 -11.864 299 HZ3 TRP 40 3HZ TRP 40 5.521 -6.773 -11.349 300 HH2 TRP 40 HH TRP 40 6.536 -5.069 -12.844 301 H GLN 41 H GLN 41 8.763 -6.027 -6.958 302 HA GLN 41 HA GLN 41 7.735 -8.138 -8.321 303 HB2 GLN 41 1HB GLN 41 10.558 -7.405 -7.536 304 HB3 GLN 41 2HB GLN 41 10.293 -9.035 -8.106 305 HG2 GLN 41 1HG GLN 41 9.002 -7.784 -10.096 306 HG3 GLN 41 2HG GLN 41 10.101 -6.480 -9.629 307 HE21 GLN 41 1HE2 GLN 41 10.017 -10.010 -10.433 308 HE22 GLN 41 2HE2 GLN 41 11.586 -10.070 -11.182 309 H GLN 42 H GLN 42 9.534 -8.504 -5.276 310 HA GLN 42 HA GLN 42 9.275 -11.402 -5.365 311 HB2 GLN 42 1HB GLN 42 10.406 -9.570 -3.209 312 HB3 GLN 42 2HB GLN 42 10.556 -11.323 -3.266 313 HG2 GLN 42 1HG GLN 42 11.562 -11.122 -5.578 314 HG3 GLN 42 2HG GLN 42 11.769 -9.416 -5.202 315 HE21 GLN 42 1HE2 GLN 42 13.490 -12.067 -5.410 316 HE22 GLN 42 2HE2 GLN 42 14.643 -11.900 -4.092 317 H ARG 43 H ARG 43 6.783 -9.496 -4.926 318 HA ARG 43 HA ARG 43 5.584 -11.478 -3.124 319 HB2 ARG 43 1HB ARG 43 4.842 -8.515 -3.242 320 HB3 ARG 43 2HB ARG 43 3.826 -9.777 -2.566 321 HG2 ARG 43 1HG ARG 43 4.764 -9.237 -0.633 322 HG3 ARG 43 2HG ARG 43 6.063 -10.326 -1.153 323 HD2 ARG 43 1HD ARG 43 7.529 -8.582 -1.625 324 HD3 ARG 43 2HD ARG 43 6.233 -7.397 -1.857 325 HE ARG 43 HE ARG 43 5.961 -8.207 0.762 326 HH11 ARG 43 1HH1 ARG 43 8.289 -6.324 -1.171 327 HH12 ARG 43 2HH1 ARG 43 9.058 -5.660 0.259 328 HH21 ARG 43 1HH2 ARG 43 6.731 -6.925 2.567 329 HH22 ARG 43 2HH2 ARG 43 8.014 -5.818 2.321 330 H ASN 44 H ASN 44 3.387 -11.948 -3.788 331 HA ASN 44 HA ASN 44 3.189 -12.396 -6.555 332 HB2 ASN 44 1HB ASN 44 0.992 -12.479 -4.447 333 HB3 ASN 44 2HB ASN 44 0.954 -13.292 -6.004 334 HD21 ASN 44 1HD2 ASN 44 2.112 -15.323 -6.194 335 HD22 ASN 44 2HD2 ASN 44 2.936 -16.015 -4.799 336 H LEU 45 H LEU 45 2.703 -9.480 -5.080 337 HA LEU 45 HA LEU 45 0.200 -8.559 -6.066 338 HB2 LEU 45 1HB LEU 45 2.723 -7.221 -5.004 339 HB3 LEU 45 2HB LEU 45 1.330 -6.280 -5.514 340 HG LEU 45 HG LEU 45 0.893 -8.503 -3.521 341 HD11 LEU 45 1HD1 LEU 45 2.756 -7.165 -2.635 342 HD12 LEU 45 2HD1 LEU 45 1.271 -6.984 -1.679 343 HD13 LEU 45 3HD1 LEU 45 1.764 -5.692 -2.802 344 HD21 LEU 45 3HD2 LEU 45 -0.930 -7.028 -2.798 345 HD22 LEU 45 1HD2 LEU 45 -1.078 -7.349 -4.533 346 HD23 LEU 45 2HD2 LEU 45 -0.438 -5.791 -3.967 347 HA PRO 46 HA PRO 46 1.313 -7.085 -10.165 348 HB2 PRO 46 1HB PRO 46 -0.317 -4.830 -10.369 349 HB3 PRO 46 2HB PRO 46 -1.057 -6.466 -10.390 350 HG2 PRO 46 1HG PRO 46 -0.681 -4.616 -8.145 351 HG3 PRO 46 2HG PRO 46 -2.142 -5.603 -8.614 352 HD2 PRO 46 1HD PRO 46 -0.487 -6.180 -6.612 353 HD3 PRO 46 2HD PRO 46 -1.256 -7.484 -7.596 354 H ALA 47 H ALA 47 1.996 -4.962 -11.231 355 HA ALA 47 HA ALA 47 4.053 -3.508 -9.861 356 HB1 ALA 47 1HB ALA 47 3.976 -2.088 -11.906 357 HB2 ALA 47 2HB ALA 47 3.945 -3.810 -12.340 358 HB3 ALA 47 3HB ALA 47 2.451 -2.843 -12.379 359 HA PRO 48 HA PRO 48 1.399 -0.154 -8.206 360 HB2 PRO 48 1HB PRO 48 3.077 1.990 -8.283 361 HB3 PRO 48 2HB PRO 48 3.320 0.645 -7.118 362 HG2 PRO 48 1HG PRO 48 4.683 1.048 -9.797 363 HG3 PRO 48 2HG PRO 48 5.442 0.699 -8.223 364 HD2 PRO 48 1HD PRO 48 4.902 -1.262 -10.035 365 HD3 PRO 48 2HD PRO 48 4.723 -1.551 -8.276 366 H ASP 49 H ASP 49 0.602 2.082 -9.014 367 HA ASP 49 HA ASP 49 0.462 2.164 -11.957 368 HB2 ASP 49 1HB ASP 49 -0.940 3.842 -9.843 369 HB3 ASP 49 2HB ASP 49 -0.950 4.212 -11.561 370 H ALA 50 H ALA 50 0.959 4.321 -12.936 371 HA ALA 50 HA ALA 50 3.710 4.927 -12.367 372 HB1 ALA 50 1HB ALA 50 3.393 6.507 -14.222 373 HB2 ALA 50 2HB ALA 50 2.750 4.911 -14.631 374 HB3 ALA 50 3HB ALA 50 1.641 6.235 -14.184 375 H GLY 51 H GLY 51 4.291 6.132 -10.582 376 HA2 GLY 51 2HA GLY 51 4.450 8.171 -9.405 377 HA3 GLY 51 1HA GLY 51 2.907 8.712 -10.074 378 H SER 52 H SER 52 3.228 5.442 -8.695 379 HA SER 52 HA SER 52 2.164 6.335 -6.120 380 HB2 SER 52 1HB SER 52 0.367 4.640 -6.194 381 HB3 SER 52 2HB SER 52 0.193 5.787 -7.534 382 HG SER 52 HG SER 52 1.478 4.111 -8.736 383 H HIS 53 H HIS 53 2.275 4.437 -4.527 384 HA HIS 53 HA HIS 53 4.014 2.254 -5.345 385 HB2 HIS 53 1HB HIS 53 5.711 2.660 -3.616 386 HB3 HIS 53 2HB HIS 53 5.639 3.894 -4.873 387 HD1 HIS 53 1HD HIS 53 5.257 6.454 -3.978 388 HD2 HIS 53 2HD HIS 53 4.806 3.363 -1.130 389 HE1 HIS 53 1HE HIS 53 4.957 7.569 -1.746 390 H TRP 54 H TRP 54 4.246 0.646 -3.593 391 HA TRP 54 HA TRP 54 1.626 0.335 -2.287 392 HB2 TRP 54 1HB TRP 54 3.987 -1.529 -2.753 393 HB3 TRP 54 2HB TRP 54 2.544 -1.969 -1.845 394 HD1 TRP 54 HD TRP 54 3.737 -1.359 -5.419 395 HE1 TRP 54 1HE TRP 54 1.895 -2.140 -7.079 396 HE3 TRP 54 3HE TRP 54 -0.062 -2.223 -2.102 397 HZ2 TRP 54 2HZ TRP 54 -0.800 -2.823 -6.986 398 HZ3 TRP 54 3HZ TRP 54 -2.323 -2.809 -2.913 399 HH2 TRP 54 HH TRP 54 -2.765 -3.037 -5.332 400 H THR 55 H THR 55 1.448 0.065 -0.004 401 HA THR 55 HA THR 55 3.879 0.584 1.586 402 HB THR 55 HB THR 55 2.549 2.228 2.922 403 HG1 THR 55 1HG THR 55 0.781 1.960 0.711 404 HG21 THR 55 3HG2 THR 55 4.172 2.879 1.135 405 HG22 THR 55 1HG2 THR 55 2.905 4.076 1.460 406 HG23 THR 55 2HG2 THR 55 2.800 3.049 0.013 407 H TYR 56 H TYR 56 3.690 0.005 3.799 408 HA TYR 56 HA TYR 56 1.903 -2.310 4.156 409 HB2 TYR 56 1HB TYR 56 4.457 -2.383 4.374 410 HB3 TYR 56 2HB TYR 56 4.301 -1.428 5.820 411 HD1 TYR 56 1HD TYR 56 2.215 -4.343 4.563 412 HD2 TYR 56 2HD TYR 56 4.982 -2.883 7.541 413 HE1 TYR 56 1HE TYR 56 1.868 -6.386 5.881 414 HE2 TYR 56 2HE TYR 56 4.737 -5.005 8.796 415 HH TYR 56 HH TYR 56 2.756 -7.736 7.638 416 H MET 57 H MET 57 -0.071 -1.180 4.613 417 HA MET 57 HA MET 57 -0.101 0.779 6.802 418 HB2 MET 57 1HB MET 57 -0.869 1.218 4.428 419 HB3 MET 57 2HB MET 57 -2.095 -0.002 4.647 420 HG2 MET 57 1HG MET 57 -2.071 2.788 5.300 421 HG3 MET 57 2HG MET 57 -3.370 1.604 5.226 422 HE1 MET 57 3HE MET 57 -4.672 3.136 6.908 423 HE2 MET 57 1HE MET 57 -4.003 3.745 8.439 424 HE3 MET 57 2HE MET 57 -3.303 4.250 6.880 425 H GLY 58 H GLY 58 -0.217 -0.537 8.668 426 HA2 GLY 58 2HA GLY 58 -1.450 -1.642 10.271 427 HA3 GLY 58 1HA GLY 58 -2.819 -1.615 9.157 428 H GLY 59 H GLY 59 -0.056 -3.223 7.752 429 HA2 GLY 59 2HA GLY 59 0.429 -5.547 7.767 430 HA3 GLY 59 1HA GLY 59 -1.113 -5.866 8.554 431 H ASN 60 H ASN 60 -1.723 -3.509 6.184 432 HA ASN 60 HA ASN 60 -2.473 -5.586 4.188 433 HB2 ASN 60 1HB ASN 60 -3.804 -2.898 4.642 434 HB3 ASN 60 2HB ASN 60 -4.341 -4.213 3.592 435 HD21 ASN 60 1HD2 ASN 60 -4.756 -2.820 6.652 436 HD22 ASN 60 2HD2 ASN 60 -5.530 -4.152 7.459 437 H TYR 61 H TYR 61 -2.172 -4.990 1.980 438 HA TYR 61 HA TYR 61 0.178 -3.219 1.621 439 HB2 TYR 61 1HB TYR 61 -1.042 -5.429 -0.086 440 HB3 TYR 61 2HB TYR 61 0.268 -4.392 -0.619 441 HD1 TYR 61 1HD TYR 61 2.257 -4.181 1.270 442 HD2 TYR 61 2HD TYR 61 -0.393 -7.531 0.758 443 HE1 TYR 61 1HE TYR 61 3.973 -5.702 2.247 444 HE2 TYR 61 2HE TYR 61 1.359 -9.055 1.631 445 HH TYR 61 HH TYR 61 4.397 -7.842 3.019 446 H VAL 62 H VAL 62 -0.481 -1.104 1.118 447 HA VAL 62 HA VAL 62 -2.929 -0.866 -0.577 448 HB VAL 62 HB VAL 62 -3.721 0.831 0.763 449 HG11 VAL 62 1HG1 VAL 62 -3.982 -0.105 2.950 450 HG12 VAL 62 2HG1 VAL 62 -3.989 -1.395 1.755 451 HG13 VAL 62 3HG1 VAL 62 -2.559 -1.131 2.757 452 HG21 VAL 62 3HG2 VAL 62 -1.710 2.148 1.131 453 HG22 VAL 62 1HG2 VAL 62 -2.553 1.867 2.653 454 HG23 VAL 62 2HG2 VAL 62 -1.094 0.912 2.249 455 H LEU 63 H LEU 63 -2.841 0.439 -2.279 456 HA LEU 63 HA LEU 63 -0.138 1.354 -3.148 457 HB2 LEU 63 1HB LEU 63 -1.353 -0.240 -4.608 458 HB3 LEU 63 2HB LEU 63 -2.711 0.867 -4.701 459 HG LEU 63 HG LEU 63 -1.311 2.520 -5.862 460 HD11 LEU 63 1HD1 LEU 63 0.948 0.556 -5.413 461 HD12 LEU 63 2HD1 LEU 63 0.888 2.306 -5.121 462 HD13 LEU 63 3HD1 LEU 63 0.974 1.718 -6.754 463 HD21 LEU 63 3HD2 LEU 63 -2.567 0.709 -7.095 464 HD22 LEU 63 1HD2 LEU 63 -1.080 -0.244 -7.135 465 HD23 LEU 63 2HD2 LEU 63 -1.166 1.323 -7.978 466 H ILE 64 H ILE 64 0.261 3.525 -2.922 467 HA ILE 64 HA ILE 64 -2.069 5.380 -2.846 468 HB ILE 64 HB ILE 64 -0.755 6.657 -1.195 469 HG12 ILE 64 1HG1 ILE 64 1.022 4.213 -0.836 470 HG13 ILE 64 2HG1 ILE 64 1.522 5.605 -1.799 471 HG21 ILE 64 1HG2 ILE 64 -1.290 5.192 0.704 472 HG22 ILE 64 2HG2 ILE 64 -2.558 5.144 -0.526 473 HG23 ILE 64 3HG2 ILE 64 -1.377 3.801 -0.372 474 HD11 ILE 64 3HD1 ILE 64 1.057 7.079 0.164 475 HD12 ILE 64 1HD1 ILE 64 0.915 5.609 1.163 476 HD13 ILE 64 2HD1 ILE 64 2.433 5.989 0.319 477 H THR 65 H THR 65 -1.882 7.369 -3.950 478 HA THR 65 HA THR 65 0.193 7.572 -5.954 479 HB THR 65 HB THR 65 -1.000 10.083 -5.658 480 HG1 THR 65 1HG THR 65 -3.259 9.421 -5.681 481 HG21 THR 65 3HG2 THR 65 -2.327 9.476 -7.608 482 HG22 THR 65 1HG2 THR 65 -1.969 7.762 -7.343 483 HG23 THR 65 2HG2 THR 65 -0.659 8.888 -7.775 484 H ASP 66 H ASP 66 2.116 8.687 -5.785 485 HA ASP 66 HA ASP 66 3.140 9.351 -3.209 486 HB2 ASP 66 1HB ASP 66 4.107 9.046 -5.878 487 HB3 ASP 66 2HB ASP 66 4.564 10.673 -5.394 488 H THR 67 H THR 67 0.993 11.143 -5.131 489 HA THR 67 HA THR 67 1.895 13.806 -4.209 490 HB THR 67 HB THR 67 2.792 13.320 -6.371 491 HG1 THR 67 1HG THR 67 1.647 15.064 -7.500 492 HG21 THR 67 3HG2 THR 67 1.404 11.616 -7.288 493 HG22 THR 67 1HG2 THR 67 1.246 13.018 -8.339 494 HG23 THR 67 2HG2 THR 67 -0.046 12.627 -7.182 495 H GLU 68 H GLU 68 -0.251 11.869 -3.264 496 HA GLU 68 HA GLU 68 -2.399 13.669 -2.858 497 HB2 GLU 68 1HB GLU 68 -2.845 13.114 -5.276 498 HB3 GLU 68 2HB GLU 68 -3.005 11.425 -4.860 499 HG2 GLU 68 1HG GLU 68 -5.033 11.770 -3.815 500 HG3 GLU 68 2HG GLU 68 -4.686 13.464 -3.447 501 H GLY 69 H GLY 69 -1.332 10.252 -3.140 502 HA2 GLY 69 2HA GLY 69 -1.474 8.525 -1.745 503 HA3 GLY 69 1HA GLY 69 -1.941 9.618 -0.453 504 H LYS 70 H LYS 70 -3.810 9.291 -3.494 505 HA LYS 70 HA LYS 70 -6.217 8.518 -2.103 506 HB2 LYS 70 1HB LYS 70 -5.392 8.923 -4.961 507 HB3 LYS 70 2HB LYS 70 -6.548 7.648 -4.656 508 HG2 LYS 70 1HG LYS 70 -7.782 9.541 -3.202 509 HG3 LYS 70 2HG LYS 70 -6.902 10.597 -4.304 510 HD2 LYS 70 1HD LYS 70 -8.962 8.460 -4.918 511 HD3 LYS 70 2HD LYS 70 -9.090 10.195 -5.222 512 HE2 LYS 70 1HE LYS 70 -7.134 8.306 -6.620 513 HE3 LYS 70 2HE LYS 70 -8.708 8.752 -7.260 514 HZ1 LYS 70 3HZ LYS 70 -8.010 10.947 -7.590 515 HZ2 LYS 70 1HZ LYS 70 -6.653 10.083 -7.996 516 HZ3 LYS 70 2HZ LYS 70 -6.736 10.860 -6.581 517 H ILE 71 H ILE 71 -6.991 6.540 -1.812 518 HA ILE 71 HA ILE 71 -5.129 4.341 -1.741 519 HB ILE 71 HB ILE 71 -8.036 4.674 -0.908 520 HG12 ILE 71 1HG1 ILE 71 -5.404 4.607 0.649 521 HG13 ILE 71 2HG1 ILE 71 -6.379 6.040 0.335 522 HG21 ILE 71 1HG2 ILE 71 -6.227 2.326 -0.189 523 HG22 ILE 71 2HG2 ILE 71 -7.920 2.571 0.291 524 HG23 ILE 71 3HG2 ILE 71 -7.529 2.249 -1.392 525 HD11 ILE 71 3HD1 ILE 71 -6.857 5.468 2.534 526 HD12 ILE 71 1HD1 ILE 71 -8.257 4.909 1.604 527 HD13 ILE 71 2HD1 ILE 71 -7.035 3.740 2.162 528 H LEU 72 H LEU 72 -4.630 4.074 -3.906 529 HA LEU 72 HA LEU 72 -6.547 3.979 -5.978 530 HB2 LEU 72 1HB LEU 72 -3.803 2.673 -6.030 531 HB3 LEU 72 2HB LEU 72 -4.778 3.148 -7.415 532 HG LEU 72 HG LEU 72 -3.296 4.940 -5.459 533 HD11 LEU 72 1HD1 LEU 72 -2.064 5.611 -7.428 534 HD12 LEU 72 2HD1 LEU 72 -3.142 4.691 -8.490 535 HD13 LEU 72 3HD1 LEU 72 -2.064 3.853 -7.381 536 HD21 LEU 72 3HD2 LEU 72 -4.121 6.889 -6.737 537 HD22 LEU 72 1HD2 LEU 72 -5.449 6.052 -5.936 538 HD23 LEU 72 2HD2 LEU 72 -5.203 5.830 -7.675 539 H LYS 73 H LYS 73 -4.916 1.331 -4.199 540 HA LYS 73 HA LYS 73 -7.071 -0.544 -4.720 541 HB2 LYS 73 1HB LYS 73 -4.246 -0.963 -5.792 542 HB3 LYS 73 2HB LYS 73 -5.348 -2.293 -5.476 543 HG2 LYS 73 1HG LYS 73 -6.974 -1.396 -7.145 544 HG3 LYS 73 2HG LYS 73 -5.879 -0.029 -7.439 545 HD2 LYS 73 1HD LYS 73 -5.319 -1.484 -9.175 546 HD3 LYS 73 2HD LYS 73 -4.091 -1.575 -8.035 547 HE2 LYS 73 1HE LYS 73 -4.451 -3.828 -8.740 548 HE3 LYS 73 2HE LYS 73 -5.202 -3.714 -7.158 549 HZ1 LYS 73 3HZ LYS 73 -6.632 -4.845 -8.808 550 HZ2 LYS 73 1HZ LYS 73 -6.798 -3.432 -9.641 551 HZ3 LYS 73 2HZ LYS 73 -7.367 -3.574 -8.101 552 H VAL 74 H VAL 74 -6.709 -2.503 -3.266 553 HA VAL 74 HA VAL 74 -4.572 -2.261 -1.285 554 HB VAL 74 HB VAL 74 -7.555 -2.465 -0.718 555 HG11 VAL 74 1HG1 VAL 74 -5.209 -2.973 1.142 556 HG12 VAL 74 2HG1 VAL 74 -6.848 -2.591 1.724 557 HG13 VAL 74 3HG1 VAL 74 -6.546 -4.043 0.765 558 HG21 VAL 74 3HG2 VAL 74 -5.498 -0.393 0.112 559 HG22 VAL 74 1HG2 VAL 74 -6.881 -0.150 -0.972 560 HG23 VAL 74 2HG2 VAL 74 -7.156 -0.475 0.739 561 H TYR 75 H TYR 75 -3.971 -4.323 -0.558 562 HA TYR 75 HA TYR 75 -5.741 -6.548 -1.147 563 HB2 TYR 75 1HB TYR 75 -2.771 -6.597 -1.676 564 HB3 TYR 75 2HB TYR 75 -3.763 -8.039 -1.533 565 HD1 TYR 75 1HD TYR 75 -5.438 -8.640 -3.264 566 HD2 TYR 75 2HD TYR 75 -2.997 -5.118 -3.661 567 HE1 TYR 75 1HE TYR 75 -6.133 -8.464 -5.583 568 HE2 TYR 75 2HE TYR 75 -3.739 -4.905 -6.034 569 HH TYR 75 HH TYR 75 -6.012 -7.176 -7.565 570 H ASP 76 H ASP 76 -5.613 -8.121 0.593 571 HA ASP 76 HA ASP 76 -4.781 -7.301 3.202 572 HB2 ASP 76 1HB ASP 76 -6.457 -9.076 2.466 573 HB3 ASP 76 2HB ASP 76 -5.091 -10.153 2.214 574 H GLY 77 H GLY 77 -3.015 -8.310 4.472 575 HA2 GLY 77 2HA GLY 77 -0.393 -8.375 3.206 576 HA3 GLY 77 1HA GLY 77 -0.773 -8.730 4.868 577 H GLU 78 H GLU 78 -2.900 -10.699 4.025 578 HA GLU 78 HA GLU 78 -1.565 -13.090 4.201 579 HB2 GLU 78 1HB GLU 78 -4.152 -12.362 2.753 580 HB3 GLU 78 2HB GLU 78 -3.634 -14.030 2.951 581 HG2 GLU 78 1HG GLU 78 -4.197 -12.133 5.254 582 HG3 GLU 78 2HG GLU 78 -5.324 -13.333 4.605 583 H ILE 79 H ILE 79 -1.985 -11.190 1.253 584 HA ILE 79 HA ILE 79 -1.435 -13.188 -0.645 585 HB ILE 79 HB ILE 79 -2.445 -10.909 -0.993 586 HG12 ILE 79 1HG1 ILE 79 -0.113 -11.483 -2.845 587 HG13 ILE 79 2HG1 ILE 79 -1.618 -12.414 -2.864 588 HG21 ILE 79 1HG2 ILE 79 -1.139 -8.945 -1.164 589 HG22 ILE 79 2HG2 ILE 79 -0.535 -9.736 0.292 590 HG23 ILE 79 3HG2 ILE 79 0.401 -9.841 -1.199 591 HD11 ILE 79 3HD1 ILE 79 -1.576 -10.670 -4.611 592 HD12 ILE 79 1HD1 ILE 79 -2.891 -10.384 -3.448 593 HD13 ILE 79 2HD1 ILE 79 -1.411 -9.415 -3.390 594 H PHE 80 H PHE 80 0.756 -11.706 1.629 595 HA PHE 80 HA PHE 80 3.171 -11.754 0.140 596 HB2 PHE 80 1HB PHE 80 2.744 -10.668 2.366 597 HB3 PHE 80 2HB PHE 80 2.659 -12.251 3.102 598 HD1 PHE 80 1HD PHE 80 5.334 -11.656 0.546 599 HD2 PHE 80 2HD PHE 80 4.274 -11.571 4.716 600 HE1 PHE 80 1HE PHE 80 7.721 -11.524 1.144 601 HE2 PHE 80 2HE PHE 80 6.678 -11.480 5.322 602 HZ PHE 80 HZ PHE 80 8.410 -11.418 3.538 603 H TYR 81 H TYR 81 1.294 -14.320 1.659 604 HA TYR 81 HA TYR 81 3.514 -16.246 1.357 605 HB2 TYR 81 1HB TYR 81 0.884 -16.592 2.784 606 HB3 TYR 81 2HB TYR 81 2.310 -17.602 2.917 607 HD1 TYR 81 1HD TYR 81 4.559 -16.241 3.580 608 HD2 TYR 81 2HD TYR 81 0.545 -14.912 4.453 609 HE1 TYR 81 1HE TYR 81 5.439 -14.633 5.249 610 HE2 TYR 81 2HE TYR 81 1.414 -13.392 6.158 611 HH TYR 81 HH TYR 81 3.301 -12.578 7.246 612 H HIS 82 H HIS 82 1.157 -15.129 -0.603 613 HA HIS 82 HA HIS 82 -0.097 -17.492 -1.628 614 HB2 HIS 82 1HB HIS 82 -0.901 -15.108 -1.789 615 HB3 HIS 82 2HB HIS 82 0.377 -14.786 -2.939 616 HD1 HIS 82 1HD HIS 82 -2.870 -16.739 -2.572 617 HD2 HIS 82 2HD HIS 82 -0.213 -15.275 -5.482 618 HE1 HIS 82 1HE HIS 82 -4.016 -17.063 -4.832 619 H ARG 83 H ARG 83 0.307 -17.890 -4.209 620 HA ARG 83 HA ARG 83 3.205 -18.490 -4.430 621 HB2 ARG 83 1HB ARG 83 2.673 -20.783 -4.945 622 HB3 ARG 83 2HB ARG 83 2.201 -20.348 -3.304 623 HG2 ARG 83 1HG ARG 83 -0.121 -20.503 -3.859 624 HG3 ARG 83 2HG ARG 83 0.222 -20.482 -5.606 625 HD2 ARG 83 1HD ARG 83 1.425 -22.609 -5.450 626 HD3 ARG 83 2HD ARG 83 1.160 -22.667 -3.699 627 HE ARG 83 HE ARG 83 -1.352 -22.417 -4.824 628 HH11 ARG 83 1HH1 ARG 83 1.284 -24.796 -5.082 629 HH12 ARG 83 2HH1 ARG 83 0.274 -26.056 -5.707 630 HH21 ARG 83 1HH2 ARG 83 -2.678 -24.056 -5.668 631 HH22 ARG 83 2HH2 ARG 83 -2.040 -25.622 -6.064 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -13.898 -19.236 -9.077 2 HA2 GLY 1 2HA GLY 1 -13.329 -20.651 -7.169 3 HA3 GLY 1 1HA GLY 1 -13.689 -22.063 -8.194 4 H ALA 2 H ALA 2 -11.239 -19.925 -7.142 5 HA ALA 2 HA ALA 2 -9.155 -21.146 -8.569 6 HB1 ALA 2 1HB ALA 2 -9.863 -18.257 -9.339 7 HB2 ALA 2 2HB ALA 2 -8.359 -19.093 -9.758 8 HB3 ALA 2 3HB ALA 2 -9.890 -19.648 -10.453 9 H ALA 3 H ALA 3 -7.085 -20.136 -7.749 10 HA ALA 3 HA ALA 3 -7.475 -18.195 -5.526 11 HB1 ALA 3 1HB ALA 3 -5.392 -20.365 -5.771 12 HB2 ALA 3 2HB ALA 3 -5.463 -19.122 -4.506 13 HB3 ALA 3 3HB ALA 3 -6.765 -20.322 -4.633 14 H GLY 4 H GLY 4 -7.319 -16.455 -6.806 15 HA2 GLY 4 2HA GLY 4 -4.595 -15.807 -7.793 16 HA3 GLY 4 1HA GLY 4 -6.051 -15.055 -8.489 17 H ILE 5 H ILE 5 -4.869 -13.138 -7.625 18 HA ILE 5 HA ILE 5 -4.659 -12.854 -4.761 19 HB ILE 5 HB ILE 5 -3.947 -10.534 -5.361 20 HG12 ILE 5 1HG1 ILE 5 -4.828 -11.197 -8.198 21 HG13 ILE 5 2HG1 ILE 5 -5.562 -10.019 -7.107 22 HG21 ILE 5 1HG2 ILE 5 -1.949 -11.145 -6.661 23 HG22 ILE 5 2HG2 ILE 5 -2.365 -12.497 -5.599 24 HG23 ILE 5 3HG2 ILE 5 -2.775 -12.561 -7.321 25 HD11 ILE 5 3HD1 ILE 5 -3.330 -8.798 -7.081 26 HD12 ILE 5 1HD1 ILE 5 -2.844 -9.869 -8.418 27 HD13 ILE 5 2HD1 ILE 5 -4.248 -8.797 -8.606 28 H ASP 6 H ASP 6 -7.240 -12.678 -6.809 29 HA ASP 6 HA ASP 6 -8.666 -10.356 -6.140 30 HB2 ASP 6 1HB ASP 6 -8.821 -12.316 -7.933 31 HB3 ASP 6 2HB ASP 6 -10.070 -12.929 -6.864 32 H GLN 7 H GLN 7 -8.461 -13.503 -4.494 33 HA GLN 7 HA GLN 7 -10.648 -13.211 -2.700 34 HB2 GLN 7 1HB GLN 7 -9.552 -14.967 -1.455 35 HB3 GLN 7 2HB GLN 7 -9.338 -15.304 -3.177 36 HG2 GLN 7 1HG GLN 7 -7.039 -14.118 -2.970 37 HG3 GLN 7 2HG GLN 7 -7.318 -14.153 -1.229 38 HE21 GLN 7 1HE2 GLN 7 -6.451 -15.990 -4.027 39 HE22 GLN 7 2HE2 GLN 7 -6.110 -17.498 -3.157 40 H TYR 8 H TYR 8 -7.453 -11.645 -2.766 41 HA TYR 8 HA TYR 8 -7.740 -10.795 0.063 42 HB2 TYR 8 1HB TYR 8 -5.394 -10.283 -1.774 43 HB3 TYR 8 2HB TYR 8 -5.437 -10.199 -0.026 44 HD1 TYR 8 2HD TYR 8 -6.160 -12.605 1.131 45 HD2 TYR 8 1HD TYR 8 -4.342 -12.075 -2.731 46 HE1 TYR 8 2HE TYR 8 -5.381 -14.950 1.180 47 HE2 TYR 8 1HE TYR 8 -3.493 -14.359 -2.675 48 HH TYR 8 HH TYR 8 -4.657 -16.667 -0.322 49 H ALA 9 H ALA 9 -8.761 -9.739 -2.982 50 HA ALA 9 HA ALA 9 -7.971 -6.953 -2.803 51 HB1 ALA 9 1HB ALA 9 -8.548 -8.075 -4.957 52 HB2 ALA 9 2HB ALA 9 -10.224 -8.253 -4.397 53 HB3 ALA 9 3HB ALA 9 -9.530 -6.633 -4.635 54 H LEU 10 H LEU 10 -8.439 -6.281 -0.792 55 HA LEU 10 HA LEU 10 -11.072 -6.405 0.442 56 HB2 LEU 10 1HB LEU 10 -8.702 -4.575 1.018 57 HB3 LEU 10 2HB LEU 10 -10.109 -4.768 2.042 58 HG LEU 10 HG LEU 10 -7.974 -6.875 1.501 59 HD11 LEU 10 1HD1 LEU 10 -8.695 -5.325 4.025 60 HD12 LEU 10 2HD1 LEU 10 -7.239 -5.095 3.036 61 HD13 LEU 10 3HD1 LEU 10 -7.473 -6.608 3.908 62 HD21 LEU 10 3HD2 LEU 10 -10.161 -7.989 1.815 63 HD22 LEU 10 1HD2 LEU 10 -10.431 -7.037 3.296 64 HD23 LEU 10 2HD2 LEU 10 -9.125 -8.234 3.220 65 H LYS 11 H LYS 11 -12.564 -4.616 0.479 66 HA LYS 11 HA LYS 11 -11.955 -2.519 -1.561 67 HB2 LYS 11 1HB LYS 11 -14.640 -3.594 -0.635 68 HB3 LYS 11 2HB LYS 11 -14.463 -2.009 -1.410 69 HG2 LYS 11 1HG LYS 11 -13.211 -3.214 -3.311 70 HG3 LYS 11 2HG LYS 11 -13.825 -4.722 -2.580 71 HD2 LYS 11 1HD LYS 11 -16.133 -3.886 -2.826 72 HD3 LYS 11 2HD LYS 11 -15.539 -2.351 -3.468 73 HE2 LYS 11 1HE LYS 11 -16.261 -3.677 -5.340 74 HE3 LYS 11 2HE LYS 11 -14.489 -3.572 -5.379 75 HZ1 LYS 11 3HZ LYS 11 -14.396 -5.759 -4.389 76 HZ2 LYS 11 1HZ LYS 11 -15.208 -5.812 -5.794 77 HZ3 LYS 11 2HZ LYS 11 -16.061 -5.849 -4.366 78 H GLU 12 H GLU 12 -12.317 -3.122 1.825 79 HA GLU 12 HA GLU 12 -11.701 -0.363 2.286 80 HB2 GLU 12 1HB GLU 12 -13.515 0.080 3.878 81 HB3 GLU 12 2HB GLU 12 -14.154 -0.257 2.268 82 HG2 GLU 12 1HG GLU 12 -14.579 -2.641 3.030 83 HG3 GLU 12 2HG GLU 12 -14.130 -2.141 4.661 84 H PHE 13 H PHE 13 -11.189 -0.034 4.639 85 HA PHE 13 HA PHE 13 -10.733 -2.350 6.291 86 HB2 PHE 13 1HB PHE 13 -8.332 -2.061 6.492 87 HB3 PHE 13 2HB PHE 13 -8.725 -2.426 4.837 88 HD1 PHE 13 1HD PHE 13 -8.646 -0.571 3.087 89 HD2 PHE 13 2HD PHE 13 -7.127 -0.072 7.080 90 HE1 PHE 13 1HE PHE 13 -7.215 1.312 2.309 91 HE2 PHE 13 2HE PHE 13 -5.633 1.737 6.289 92 HZ PHE 13 HZ PHE 13 -5.717 2.479 3.916 93 H THR 14 H THR 14 -9.544 -1.488 8.295 94 HA THR 14 HA THR 14 -9.850 1.423 8.672 95 HB THR 14 HB THR 14 -10.626 -0.571 10.816 96 HG1 THR 14 1HG THR 14 -12.723 -0.076 10.368 97 HG21 THR 14 3HG2 THR 14 -11.177 2.419 10.701 98 HG22 THR 14 1HG2 THR 14 -9.780 1.726 11.553 99 HG23 THR 14 2HG2 THR 14 -11.425 1.326 12.068 100 H ALA 15 H ALA 15 -7.915 2.223 9.353 101 HA ALA 15 HA ALA 15 -6.091 0.588 10.962 102 HB1 ALA 15 1HB ALA 15 -4.120 1.220 9.654 103 HB2 ALA 15 2HB ALA 15 -5.224 0.284 8.627 104 HB3 ALA 15 3HB ALA 15 -5.141 2.064 8.473 105 H ASP 16 H ASP 16 -4.616 2.120 12.168 106 HA ASP 16 HA ASP 16 -4.534 3.916 13.539 107 HB2 ASP 16 1HB ASP 16 -4.378 4.823 10.762 108 HB3 ASP 16 2HB ASP 16 -5.036 6.117 11.725 109 H PHE 17 H PHE 17 -7.032 2.725 13.451 110 HA PHE 17 HA PHE 17 -9.225 2.884 13.970 111 HB2 PHE 17 1HB PHE 17 -8.807 5.523 15.325 112 HB3 PHE 17 2HB PHE 17 -9.832 4.184 15.779 113 HD1 PHE 17 2HD PHE 17 -8.692 2.048 16.742 114 HD2 PHE 17 1HD PHE 17 -6.659 5.806 16.201 115 HE1 PHE 17 2HE PHE 17 -6.919 1.311 18.308 116 HE2 PHE 17 1HE PHE 17 -4.895 5.086 17.789 117 HZ PHE 17 HZ PHE 17 -4.996 2.834 18.810 118 H THR 18 H THR 18 -8.308 4.170 11.441 119 HA THR 18 HA THR 18 -10.431 6.172 10.935 120 HB THR 18 HB THR 18 -7.635 5.889 9.744 121 HG1 THR 18 1HG THR 18 -7.770 6.639 11.963 122 HG21 THR 18 3HG2 THR 18 -8.037 8.028 8.695 123 HG22 THR 18 1HG2 THR 18 -9.661 8.134 9.438 124 HG23 THR 18 2HG2 THR 18 -9.305 6.903 8.210 125 H GLN 19 H GLN 19 -11.815 5.472 9.360 126 HA GLN 19 HA GLN 19 -11.395 2.872 8.081 127 HB2 GLN 19 1HB GLN 19 -13.514 3.469 9.117 128 HB3 GLN 19 2HB GLN 19 -13.694 4.878 8.057 129 HG2 GLN 19 1HG GLN 19 -14.199 3.593 6.200 130 HG3 GLN 19 2HG GLN 19 -13.305 2.183 6.778 131 HE21 GLN 19 1HE2 GLN 19 -14.264 0.652 8.002 132 HE22 GLN 19 2HE2 GLN 19 -15.985 0.622 8.278 133 H PHE 20 H PHE 20 -11.379 2.554 5.821 134 HA PHE 20 HA PHE 20 -11.077 4.854 3.961 135 HB2 PHE 20 1HB PHE 20 -9.032 2.643 4.384 136 HB3 PHE 20 2HB PHE 20 -8.964 3.881 3.147 137 HD1 PHE 20 2HD PHE 20 -8.428 6.294 3.822 138 HD2 PHE 20 1HD PHE 20 -8.307 3.003 6.596 139 HE1 PHE 20 2HE PHE 20 -7.009 7.636 5.335 140 HE2 PHE 20 1HE PHE 20 -6.848 4.343 8.112 141 HZ PHE 20 HZ PHE 20 -6.178 6.655 7.478 142 H HIS 21 H HIS 21 -11.778 4.365 1.979 143 HA HIS 21 HA HIS 21 -12.323 1.524 1.262 144 HB2 HIS 21 1HB HIS 21 -13.862 3.879 0.216 145 HB3 HIS 21 2HB HIS 21 -14.303 2.176 0.281 146 HD1 HIS 21 1HD HIS 21 -13.991 5.223 2.605 147 HD2 HIS 21 2HD HIS 21 -15.649 1.347 2.444 148 HE1 HIS 21 1HE HIS 21 -15.489 4.975 4.683 149 H ILE 22 H ILE 22 -12.387 1.213 -1.212 150 HA ILE 22 HA ILE 22 -9.970 2.204 -2.394 151 HB ILE 22 HB ILE 22 -12.373 0.878 -3.708 152 HG12 ILE 22 1HG1 ILE 22 -11.335 -0.561 -2.055 153 HG13 ILE 22 2HG1 ILE 22 -11.089 -1.185 -3.674 154 HG21 ILE 22 1HG2 ILE 22 -9.589 1.429 -4.836 155 HG22 ILE 22 2HG2 ILE 22 -10.763 0.304 -5.555 156 HG23 ILE 22 3HG2 ILE 22 -11.148 2.018 -5.451 157 HD11 ILE 22 3HD1 ILE 22 -8.735 -0.348 -3.600 158 HD12 ILE 22 1HD1 ILE 22 -9.020 0.242 -1.946 159 HD13 ILE 22 2HD1 ILE 22 -9.097 -1.489 -2.297 160 H GLY 23 H GLY 23 -9.639 4.270 -2.943 161 HA2 GLY 23 2HA GLY 23 -10.078 6.016 -4.553 162 HA3 GLY 23 1HA GLY 23 -11.816 5.780 -4.344 163 H ASP 24 H ASP 24 -10.704 5.548 -1.227 164 HA ASP 24 HA ASP 24 -11.037 8.379 -0.556 165 HB2 ASP 24 1HB ASP 24 -10.150 5.993 1.105 166 HB3 ASP 24 2HB ASP 24 -10.465 7.610 1.725 167 H THR 25 H THR 25 -8.911 8.948 1.212 168 HA THR 25 HA THR 25 -6.426 8.480 -0.298 169 HB THR 25 HB THR 25 -6.942 11.097 1.008 170 HG1 THR 25 1HG THR 25 -8.812 10.876 -0.226 171 HG21 THR 25 3HG2 THR 25 -4.811 10.592 -0.062 172 HG22 THR 25 1HG2 THR 25 -5.616 12.011 -0.740 173 HG23 THR 25 2HG2 THR 25 -5.655 10.489 -1.632 174 H VAL 26 H VAL 26 -4.555 8.602 1.029 175 HA VAL 26 HA VAL 26 -5.067 7.800 3.829 176 HB VAL 26 HB VAL 26 -2.837 6.938 3.882 177 HG11 VAL 26 1HG1 VAL 26 -2.997 5.179 2.261 178 HG12 VAL 26 2HG1 VAL 26 -4.621 5.577 2.813 179 HG13 VAL 26 3HG1 VAL 26 -4.053 6.151 1.220 180 HG21 VAL 26 3HG2 VAL 26 -1.251 7.009 2.017 181 HG22 VAL 26 1HG2 VAL 26 -2.360 8.012 1.068 182 HG23 VAL 26 2HG2 VAL 26 -1.635 8.641 2.549 183 HA PRO 27 HA PRO 27 -3.061 11.557 5.444 184 HB2 PRO 27 1HB PRO 27 -2.110 10.668 7.858 185 HB3 PRO 27 2HB PRO 27 -3.839 10.910 7.533 186 HG2 PRO 27 1HG PRO 27 -2.300 8.343 7.428 187 HG3 PRO 27 2HG PRO 27 -3.871 8.652 8.238 188 HD2 PRO 27 1HD PRO 27 -3.743 7.525 5.767 189 HD3 PRO 27 2HD PRO 27 -5.048 8.657 6.219 190 H ALA 28 H ALA 28 -0.891 12.295 6.090 191 HA ALA 28 HA ALA 28 1.143 11.343 4.411 192 HB1 ALA 28 1HB ALA 28 1.001 13.662 5.051 193 HB2 ALA 28 2HB ALA 28 1.212 13.253 6.771 194 HB3 ALA 28 3HB ALA 28 2.547 13.006 5.621 195 H MET 29 H MET 29 0.240 10.212 7.603 196 HA MET 29 HA MET 29 2.580 9.145 8.581 197 HB2 MET 29 1HB MET 29 -0.186 7.873 8.498 198 HB3 MET 29 2HB MET 29 1.103 7.446 9.620 199 HG2 MET 29 1HG MET 29 -0.186 10.209 9.472 200 HG3 MET 29 2HG MET 29 -0.697 8.916 10.523 201 HE1 MET 29 3HE MET 29 -0.501 9.890 12.752 202 HE2 MET 29 1HE MET 29 0.770 11.019 13.268 203 HE3 MET 29 2HE MET 29 -0.300 11.439 11.905 204 H TYR 30 H TYR 30 0.634 8.049 5.801 205 HA TYR 30 HA TYR 30 2.360 5.599 5.577 206 HB2 TYR 30 1HB TYR 30 -0.211 6.341 4.129 207 HB3 TYR 30 2HB TYR 30 0.678 4.824 3.981 208 HD1 TYR 30 1HD TYR 30 -1.492 6.845 6.121 209 HD2 TYR 30 2HD TYR 30 0.710 3.161 5.843 210 HE1 TYR 30 1HE TYR 30 -2.498 6.091 8.288 211 HE2 TYR 30 2HE TYR 30 -0.306 2.393 7.956 212 HH TYR 30 HH TYR 30 -1.560 4.422 10.149 213 H LEU 31 H LEU 31 2.550 8.722 4.421 214 HA LEU 31 HA LEU 31 3.430 7.951 1.686 215 HB2 LEU 31 1HB LEU 31 3.129 10.594 3.169 216 HB3 LEU 31 2HB LEU 31 4.076 10.488 1.706 217 HG LEU 31 HG LEU 31 1.849 11.339 1.348 218 HD11 LEU 31 1HD1 LEU 31 1.266 9.977 -0.636 219 HD12 LEU 31 2HD1 LEU 31 2.368 8.705 -0.090 220 HD13 LEU 31 3HD1 LEU 31 3.010 10.303 -0.541 221 HD21 LEU 31 3HD2 LEU 31 -0.128 9.962 1.320 222 HD22 LEU 31 1HD2 LEU 31 0.562 9.943 2.942 223 HD23 LEU 31 2HD2 LEU 31 0.790 8.543 1.883 224 H THR 32 H THR 32 4.724 8.508 4.855 225 HA THR 32 HA THR 32 7.346 9.316 4.079 226 HB THR 32 HB THR 32 6.946 9.707 6.323 227 HG1 THR 32 1HG THR 32 8.246 7.988 7.504 228 HG21 THR 32 3HG2 THR 32 5.062 8.306 6.756 229 HG22 THR 32 1HG2 THR 32 6.297 7.931 7.961 230 HG23 THR 32 2HG2 THR 32 6.067 6.848 6.577 231 HA PRO 33 HA PRO 33 8.885 5.705 2.142 232 HB2 PRO 33 1HB PRO 33 11.587 5.939 2.566 233 HB3 PRO 33 2HB PRO 33 10.654 6.983 1.447 234 HG2 PRO 33 1HG PRO 33 11.458 7.544 4.319 235 HG3 PRO 33 2HG PRO 33 11.649 8.605 2.877 236 HD2 PRO 33 1HD PRO 33 9.518 8.890 4.556 237 HD3 PRO 33 2HD PRO 33 9.321 9.040 2.789 238 H GLU 34 H GLU 34 8.886 5.993 5.458 239 HA GLU 34 HA GLU 34 10.266 3.719 6.463 240 HB2 GLU 34 1HB GLU 34 7.952 5.465 7.327 241 HB3 GLU 34 2HB GLU 34 8.455 4.076 8.291 242 HG2 GLU 34 1HG GLU 34 10.760 4.942 8.422 243 HG3 GLU 34 2HG GLU 34 10.375 6.263 7.326 244 H TYR 35 H TYR 35 7.395 3.867 4.444 245 HA TYR 35 HA TYR 35 6.693 1.074 5.288 246 HB2 TYR 35 1HB TYR 35 4.863 3.284 4.289 247 HB3 TYR 35 2HB TYR 35 4.389 1.630 4.675 248 HD1 TYR 35 1HD TYR 35 5.559 4.834 6.111 249 HD2 TYR 35 2HD TYR 35 4.042 0.895 6.968 250 HE1 TYR 35 1HE TYR 35 5.310 5.457 8.490 251 HE2 TYR 35 2HE TYR 35 3.751 1.511 9.327 252 HH TYR 35 HH TYR 35 3.967 3.187 10.931 253 H ASN 36 H ASN 36 8.152 2.817 2.855 254 HA ASN 36 HA ASN 36 6.660 2.118 0.613 255 HB2 ASN 36 1HB ASN 36 9.265 3.494 1.242 256 HB3 ASN 36 2HB ASN 36 8.971 2.989 -0.393 257 HD21 ASN 36 1HD2 ASN 36 8.660 5.214 -1.192 258 HD22 ASN 36 2HD2 ASN 36 7.098 5.946 -0.807 259 H ILE 37 H ILE 37 6.381 0.004 0.224 260 HA ILE 37 HA ILE 37 8.602 -1.882 0.022 261 HB ILE 37 HB ILE 37 5.681 -2.240 -0.727 262 HG12 ILE 37 1HG1 ILE 37 7.089 -3.020 1.861 263 HG13 ILE 37 2HG1 ILE 37 6.085 -1.597 1.711 264 HG21 ILE 37 1HG2 ILE 37 7.909 -4.268 -0.136 265 HG22 ILE 37 2HG2 ILE 37 6.236 -4.656 -0.563 266 HG23 ILE 37 3HG2 ILE 37 7.269 -3.900 -1.753 267 HD11 ILE 37 3HD1 ILE 37 5.077 -4.386 1.313 268 HD12 ILE 37 1HD1 ILE 37 4.789 -3.319 2.697 269 HD13 ILE 37 2HD1 ILE 37 4.157 -2.880 1.089 270 H LYS 38 H LYS 38 9.822 -0.725 -1.499 271 HA LYS 38 HA LYS 38 8.799 -0.157 -4.187 272 HB2 LYS 38 1HB LYS 38 11.628 -0.384 -3.129 273 HB3 LYS 38 2HB LYS 38 11.272 -0.051 -4.818 274 HG2 LYS 38 1HG LYS 38 10.279 1.706 -2.521 275 HG3 LYS 38 2HG LYS 38 11.792 1.904 -3.418 276 HD2 LYS 38 1HD LYS 38 10.383 2.172 -5.528 277 HD3 LYS 38 2HD LYS 38 8.962 2.267 -4.453 278 HE2 LYS 38 1HE LYS 38 10.176 4.078 -3.156 279 HE3 LYS 38 2HE LYS 38 11.481 3.988 -4.326 280 HZ1 LYS 38 3HZ LYS 38 8.765 5.041 -4.766 281 HZ2 LYS 38 1HZ LYS 38 9.811 4.735 -6.030 282 HZ3 LYS 38 2HZ LYS 38 10.190 5.788 -4.844 283 H GLN 39 H GLN 39 10.311 -2.965 -2.674 284 HA GLN 39 HA GLN 39 10.869 -4.429 -5.024 285 HB2 GLN 39 1HB GLN 39 10.446 -5.432 -2.172 286 HB3 GLN 39 2HB GLN 39 11.147 -6.347 -3.500 287 HG2 GLN 39 1HG GLN 39 13.027 -5.677 -2.357 288 HG3 GLN 39 2HG GLN 39 12.935 -4.517 -3.678 289 HE21 GLN 39 1HE2 GLN 39 12.166 -4.991 -0.180 290 HE22 GLN 39 2HE2 GLN 39 12.061 -3.250 0.177 291 H TRP 40 H TRP 40 8.152 -3.554 -5.367 292 HA TRP 40 HA TRP 40 6.251 -5.563 -4.677 293 HB2 TRP 40 1HB TRP 40 4.824 -4.556 -6.360 294 HB3 TRP 40 2HB TRP 40 5.590 -3.326 -5.361 295 HD1 TRP 40 HD TRP 40 6.960 -1.484 -6.538 296 HE1 TRP 40 1HE TRP 40 7.430 -0.848 -8.973 297 HE3 TRP 40 3HE TRP 40 5.183 -5.716 -8.855 298 HZ2 TRP 40 2HZ TRP 40 6.919 -1.930 -11.585 299 HZ3 TRP 40 3HZ TRP 40 5.218 -5.882 -11.310 300 HH2 TRP 40 HH TRP 40 6.074 -4.010 -12.699 301 H GLN 41 H GLN 41 8.522 -5.286 -7.354 302 HA GLN 41 HA GLN 41 7.454 -7.147 -9.109 303 HB2 GLN 41 1HB GLN 41 9.192 -5.396 -9.485 304 HB3 GLN 41 2HB GLN 41 10.374 -6.397 -8.652 305 HG2 GLN 41 1HG GLN 41 8.895 -7.592 -11.005 306 HG3 GLN 41 2HG GLN 41 10.084 -6.336 -11.319 307 HE21 GLN 41 1HE2 GLN 41 9.734 -9.674 -10.158 308 HE22 GLN 41 2HE2 GLN 41 11.422 -10.045 -10.483 309 H GLN 42 H GLN 42 9.735 -7.810 -6.355 310 HA GLN 42 HA GLN 42 9.883 -10.645 -7.114 311 HB2 GLN 42 1HB GLN 42 11.330 -8.852 -5.385 312 HB3 GLN 42 2HB GLN 42 10.719 -10.150 -4.380 313 HG2 GLN 42 1HG GLN 42 12.154 -10.765 -6.990 314 HG3 GLN 42 2HG GLN 42 13.036 -10.339 -5.531 315 HE21 GLN 42 1HE2 GLN 42 10.553 -12.754 -6.714 316 HE22 GLN 42 2HE2 GLN 42 11.078 -13.995 -5.592 317 H ARG 43 H ARG 43 7.818 -8.562 -5.282 318 HA ARG 43 HA ARG 43 6.635 -10.745 -3.717 319 HB2 ARG 43 1HB ARG 43 6.330 -7.733 -3.827 320 HB3 ARG 43 2HB ARG 43 5.092 -8.692 -3.045 321 HG2 ARG 43 1HG ARG 43 8.068 -8.923 -2.353 322 HG3 ARG 43 2HG ARG 43 6.970 -7.824 -1.533 323 HD2 ARG 43 1HD ARG 43 6.702 -10.872 -1.605 324 HD3 ARG 43 2HD ARG 43 7.286 -9.903 -0.258 325 HE ARG 43 HE ARG 43 5.134 -8.782 -0.160 326 HH11 ARG 43 1HH1 ARG 43 4.984 -11.958 -1.899 327 HH12 ARG 43 2HH1 ARG 43 3.267 -12.035 -1.708 328 HH21 ARG 43 1HH2 ARG 43 2.947 -8.942 -0.032 329 HH22 ARG 43 2HH2 ARG 43 2.101 -10.309 -0.724 330 H ASN 44 H ASN 44 4.010 -10.339 -3.797 331 HA ASN 44 HA ASN 44 3.348 -11.499 -6.420 332 HB2 ASN 44 1HB ASN 44 1.934 -11.148 -3.754 333 HB3 ASN 44 2HB ASN 44 0.990 -11.422 -5.203 334 HD21 ASN 44 1HD2 ASN 44 4.119 -13.010 -3.916 335 HD22 ASN 44 2HD2 ASN 44 3.318 -14.554 -3.973 336 H LEU 45 H LEU 45 3.249 -8.284 -5.014 337 HA LEU 45 HA LEU 45 0.622 -7.709 -5.944 338 HB2 LEU 45 1HB LEU 45 2.853 -5.903 -4.964 339 HB3 LEU 45 2HB LEU 45 1.228 -5.350 -5.299 340 HG LEU 45 HG LEU 45 1.259 -5.564 -2.998 341 HD11 LEU 45 1HD1 LEU 45 0.084 -8.233 -3.795 342 HD12 LEU 45 2HD1 LEU 45 -0.698 -6.676 -4.111 343 HD13 LEU 45 3HD1 LEU 45 -0.385 -7.182 -2.441 344 HD21 LEU 45 3HD2 LEU 45 3.344 -6.878 -2.749 345 HD22 LEU 45 1HD2 LEU 45 2.398 -8.365 -3.050 346 HD23 LEU 45 2HD2 LEU 45 2.037 -7.338 -1.646 347 HA PRO 46 HA PRO 46 1.380 -6.511 -10.126 348 HB2 PRO 46 1HB PRO 46 -0.632 -4.529 -10.398 349 HB3 PRO 46 2HB PRO 46 -0.850 -6.302 -10.597 350 HG2 PRO 46 1HG PRO 46 -1.334 -4.500 -8.234 351 HG3 PRO 46 2HG PRO 46 -2.336 -5.804 -8.815 352 HD2 PRO 46 1HD PRO 46 -0.722 -6.092 -6.675 353 HD3 PRO 46 2HD PRO 46 -0.913 -7.443 -7.836 354 H ALA 47 H ALA 47 1.900 -4.738 -11.546 355 HA ALA 47 HA ALA 47 3.740 -2.918 -10.421 356 HB1 ALA 47 1HB ALA 47 3.742 -1.818 -12.649 357 HB2 ALA 47 2HB ALA 47 3.742 -3.585 -12.811 358 HB3 ALA 47 3HB ALA 47 2.249 -2.673 -13.082 359 HA PRO 48 HA PRO 48 0.926 0.287 -9.058 360 HB2 PRO 48 1HB PRO 48 2.682 2.343 -8.601 361 HB3 PRO 48 2HB PRO 48 2.632 0.860 -7.592 362 HG2 PRO 48 1HG PRO 48 4.473 1.446 -9.895 363 HG3 PRO 48 2HG PRO 48 4.915 0.873 -8.256 364 HD2 PRO 48 1HD PRO 48 4.625 -0.795 -10.385 365 HD3 PRO 48 2HD PRO 48 4.091 -1.293 -8.747 366 H ASP 49 H ASP 49 0.435 2.721 -9.624 367 HA ASP 49 HA ASP 49 0.396 3.062 -12.573 368 HB2 ASP 49 1HB ASP 49 -1.024 4.399 -10.256 369 HB3 ASP 49 2HB ASP 49 -0.780 5.271 -11.745 370 H ALA 50 H ALA 50 0.897 5.285 -13.262 371 HA ALA 50 HA ALA 50 3.671 5.600 -12.981 372 HB1 ALA 50 1HB ALA 50 2.307 5.690 -15.070 373 HB2 ALA 50 2HB ALA 50 1.535 7.183 -14.484 374 HB3 ALA 50 3HB ALA 50 3.274 7.162 -14.861 375 H GLY 51 H GLY 51 2.562 6.333 -10.579 376 HA2 GLY 51 2HA GLY 51 4.119 8.500 -9.806 377 HA3 GLY 51 1HA GLY 51 2.498 9.179 -10.011 378 H SER 52 H SER 52 3.330 5.833 -8.857 379 HA SER 52 HA SER 52 2.227 6.447 -6.221 380 HB2 SER 52 1HB SER 52 0.429 4.742 -6.476 381 HB3 SER 52 2HB SER 52 0.221 6.077 -7.616 382 HG SER 52 HG SER 52 1.573 4.506 -9.029 383 H HIS 53 H HIS 53 2.269 4.451 -4.777 384 HA HIS 53 HA HIS 53 4.161 2.399 -5.650 385 HB2 HIS 53 1HB HIS 53 5.689 2.914 -3.868 386 HB3 HIS 53 2HB HIS 53 5.663 4.217 -5.036 387 HD1 HIS 53 1HD HIS 53 4.507 6.542 -4.215 388 HD2 HIS 53 2HD HIS 53 5.143 3.588 -1.282 389 HE1 HIS 53 1HE HIS 53 4.080 7.642 -1.954 390 H TRP 54 H TRP 54 4.426 0.740 -4.077 391 HA TRP 54 HA TRP 54 1.999 0.291 -2.525 392 HB2 TRP 54 1HB TRP 54 4.426 -1.406 -3.171 393 HB3 TRP 54 2HB TRP 54 3.161 -1.921 -2.068 394 HD1 TRP 54 HD TRP 54 3.878 -1.616 -5.778 395 HE1 TRP 54 1HE TRP 54 1.918 -2.664 -7.107 396 HE3 TRP 54 3HE TRP 54 0.514 -2.219 -1.967 397 HZ2 TRP 54 2HZ TRP 54 -0.834 -3.311 -6.622 398 HZ3 TRP 54 3HZ TRP 54 -1.815 -2.943 -2.437 399 HH2 TRP 54 HH TRP 54 -2.512 -3.427 -4.768 400 H THR 55 H THR 55 1.875 0.151 -0.306 401 HA THR 55 HA THR 55 4.281 0.367 1.310 402 HB THR 55 HB THR 55 3.257 2.065 2.756 403 HG1 THR 55 1HG THR 55 1.383 3.117 2.024 404 HG21 THR 55 3HG2 THR 55 3.368 3.991 1.320 405 HG22 THR 55 1HG2 THR 55 3.009 2.997 -0.111 406 HG23 THR 55 2HG2 THR 55 4.559 2.819 0.761 407 H TYR 56 H TYR 56 3.379 0.165 3.782 408 HA TYR 56 HA TYR 56 1.538 -2.153 3.912 409 HB2 TYR 56 1HB TYR 56 4.043 -2.282 4.651 410 HB3 TYR 56 2HB TYR 56 3.572 -1.245 5.975 411 HD1 TYR 56 2HD TYR 56 2.683 -4.459 4.283 412 HD2 TYR 56 1HD TYR 56 2.783 -2.270 7.978 413 HE1 TYR 56 2HE TYR 56 2.230 -6.567 5.514 414 HE2 TYR 56 1HE TYR 56 2.357 -4.361 9.234 415 HH TYR 56 HH TYR 56 1.971 -7.542 7.636 416 H MET 57 H MET 57 -0.203 -1.904 5.426 417 HA MET 57 HA MET 57 -0.197 0.281 7.333 418 HB2 MET 57 1HB MET 57 -2.445 1.125 6.806 419 HB3 MET 57 2HB MET 57 -1.384 1.390 5.440 420 HG2 MET 57 1HG MET 57 -3.361 0.702 4.480 421 HG3 MET 57 2HG MET 57 -2.339 -0.742 4.438 422 HE1 MET 57 3HE MET 57 -4.468 -2.179 3.733 423 HE2 MET 57 1HE MET 57 -5.975 -2.237 4.677 424 HE3 MET 57 2HE MET 57 -5.489 -0.760 3.815 425 H GLY 58 H GLY 58 -1.409 -0.419 9.182 426 HA2 GLY 58 2HA GLY 58 -2.579 -1.772 10.554 427 HA3 GLY 58 1HA GLY 58 -3.641 -2.020 9.177 428 H GLY 59 H GLY 59 -0.741 -3.438 8.229 429 HA2 GLY 59 2HA GLY 59 0.076 -5.702 8.793 430 HA3 GLY 59 1HA GLY 59 -1.570 -6.169 9.130 431 H ASN 60 H ASN 60 -1.939 -4.138 6.607 432 HA ASN 60 HA ASN 60 -2.129 -6.274 4.562 433 HB2 ASN 60 1HB ASN 60 -3.336 -3.515 4.774 434 HB3 ASN 60 2HB ASN 60 -3.793 -4.729 3.576 435 HD21 ASN 60 1HD2 ASN 60 -4.745 -3.308 6.509 436 HD22 ASN 60 2HD2 ASN 60 -5.785 -4.609 7.074 437 H TYR 61 H TYR 61 -1.951 -5.230 2.251 438 HA TYR 61 HA TYR 61 0.390 -3.379 2.088 439 HB2 TYR 61 1HB TYR 61 -0.601 -5.507 0.143 440 HB3 TYR 61 2HB TYR 61 0.778 -4.453 -0.102 441 HD1 TYR 61 2HD TYR 61 2.609 -4.524 1.812 442 HD2 TYR 61 1HD TYR 61 -0.231 -7.650 1.091 443 HE1 TYR 61 2HE TYR 61 4.163 -6.158 2.855 444 HE2 TYR 61 1HE TYR 61 1.341 -9.323 2.079 445 HH TYR 61 HH TYR 61 3.456 -9.154 3.865 446 H VAL 62 H VAL 62 0.027 -1.377 0.851 447 HA VAL 62 HA VAL 62 -2.545 -1.286 -0.644 448 HB VAL 62 HB VAL 62 -3.035 0.854 0.389 449 HG11 VAL 62 1HG1 VAL 62 -2.740 -1.307 2.478 450 HG12 VAL 62 2HG1 VAL 62 -3.919 0.056 2.430 451 HG13 VAL 62 3HG1 VAL 62 -3.979 -1.244 1.234 452 HG21 VAL 62 3HG2 VAL 62 -0.734 0.312 2.310 453 HG22 VAL 62 1HG2 VAL 62 -0.851 1.622 1.112 454 HG23 VAL 62 2HG2 VAL 62 -1.962 1.575 2.486 455 H LEU 63 H LEU 63 -2.674 0.319 -2.179 456 HA LEU 63 HA LEU 63 -0.002 1.311 -3.172 457 HB2 LEU 63 1HB LEU 63 -0.979 -0.342 -4.663 458 HB3 LEU 63 2HB LEU 63 -2.506 0.519 -4.678 459 HG LEU 63 HG LEU 63 -1.391 2.467 -5.807 460 HD11 LEU 63 1HD1 LEU 63 1.077 0.696 -5.758 461 HD12 LEU 63 2HD1 LEU 63 0.856 2.334 -5.117 462 HD13 LEU 63 3HD1 LEU 63 0.845 2.102 -6.837 463 HD21 LEU 63 3HD2 LEU 63 -0.979 -0.206 -7.195 464 HD22 LEU 63 1HD2 LEU 63 -1.154 1.374 -7.994 465 HD23 LEU 63 2HD2 LEU 63 -2.519 0.674 -7.109 466 H ILE 64 H ILE 64 0.270 3.462 -3.019 467 HA ILE 64 HA ILE 64 -2.118 5.253 -2.987 468 HB ILE 64 HB ILE 64 -0.872 6.550 -1.288 469 HG12 ILE 64 1HG1 ILE 64 0.970 4.142 -0.933 470 HG13 ILE 64 2HG1 ILE 64 1.433 5.570 -1.861 471 HG21 ILE 64 1HG2 ILE 64 -1.445 3.682 -0.439 472 HG22 ILE 64 2HG2 ILE 64 -1.411 5.098 0.608 473 HG23 ILE 64 3HG2 ILE 64 -2.652 4.994 -0.637 474 HD11 ILE 64 3HD1 ILE 64 0.949 6.986 0.135 475 HD12 ILE 64 1HD1 ILE 64 0.794 5.488 1.092 476 HD13 ILE 64 2HD1 ILE 64 2.324 5.884 0.282 477 H THR 65 H THR 65 -1.737 7.435 -3.901 478 HA THR 65 HA THR 65 0.468 7.464 -5.826 479 HB THR 65 HB THR 65 -0.553 9.907 -6.093 480 HG1 THR 65 1HG THR 65 -2.714 9.873 -5.817 481 HG21 THR 65 3HG2 THR 65 -0.444 8.351 -7.880 482 HG22 THR 65 1HG2 THR 65 -2.123 8.853 -7.797 483 HG23 THR 65 2HG2 THR 65 -1.674 7.282 -7.126 484 H ASP 66 H ASP 66 2.288 8.714 -5.724 485 HA ASP 66 HA ASP 66 3.329 9.407 -3.143 486 HB2 ASP 66 1HB ASP 66 4.165 9.484 -6.016 487 HB3 ASP 66 2HB ASP 66 4.898 10.709 -5.026 488 H THR 67 H THR 67 1.189 11.116 -5.170 489 HA THR 67 HA THR 67 2.191 13.793 -4.382 490 HB THR 67 HB THR 67 2.529 13.007 -6.670 491 HG1 THR 67 1HG THR 67 0.637 14.975 -7.039 492 HG21 THR 67 3HG2 THR 67 0.662 12.790 -8.281 493 HG22 THR 67 1HG2 THR 67 -0.482 12.838 -6.925 494 HG23 THR 67 2HG2 THR 67 0.668 11.487 -7.086 495 H GLU 68 H GLU 68 -0.094 11.799 -3.303 496 HA GLU 68 HA GLU 68 -2.181 13.735 -2.781 497 HB2 GLU 68 1HB GLU 68 -2.517 13.286 -5.201 498 HB3 GLU 68 2HB GLU 68 -2.639 11.571 -4.885 499 HG2 GLU 68 1HG GLU 68 -4.755 11.784 -3.863 500 HG3 GLU 68 2HG GLU 68 -4.565 13.532 -3.630 501 H GLY 69 H GLY 69 -1.275 10.249 -3.147 502 HA2 GLY 69 2HA GLY 69 -1.300 8.612 -1.566 503 HA3 GLY 69 1HA GLY 69 -2.078 9.689 -0.424 504 H LYS 70 H LYS 70 -3.440 9.289 -3.637 505 HA LYS 70 HA LYS 70 -6.009 8.562 -2.556 506 HB2 LYS 70 1HB LYS 70 -5.006 9.563 -5.023 507 HB3 LYS 70 2HB LYS 70 -5.677 8.012 -5.430 508 HG2 LYS 70 1HG LYS 70 -7.200 10.010 -3.689 509 HG3 LYS 70 2HG LYS 70 -7.166 10.217 -5.423 510 HD2 LYS 70 1HD LYS 70 -8.129 7.691 -4.049 511 HD3 LYS 70 2HD LYS 70 -9.164 9.001 -4.598 512 HE2 LYS 70 1HE LYS 70 -7.319 7.381 -6.423 513 HE3 LYS 70 2HE LYS 70 -9.019 7.050 -6.160 514 HZ1 LYS 70 3HZ LYS 70 -9.489 9.296 -7.006 515 HZ2 LYS 70 1HZ LYS 70 -8.824 8.294 -8.121 516 HZ3 LYS 70 2HZ LYS 70 -7.881 9.455 -7.417 517 H ILE 71 H ILE 71 -6.867 6.656 -2.179 518 HA ILE 71 HA ILE 71 -5.173 4.362 -2.074 519 HB ILE 71 HB ILE 71 -8.088 4.867 -1.344 520 HG12 ILE 71 1HG1 ILE 71 -5.471 4.684 0.226 521 HG13 ILE 71 2HG1 ILE 71 -6.443 6.127 -0.030 522 HG21 ILE 71 1HG2 ILE 71 -6.494 2.392 -0.559 523 HG22 ILE 71 2HG2 ILE 71 -8.172 2.786 -0.155 524 HG23 ILE 71 3HG2 ILE 71 -7.739 2.416 -1.818 525 HD11 ILE 71 3HD1 ILE 71 -7.063 3.772 1.740 526 HD12 ILE 71 1HD1 ILE 71 -6.861 5.474 2.175 527 HD13 ILE 71 2HD1 ILE 71 -8.293 4.960 1.262 528 H LEU 72 H LEU 72 -4.598 3.674 -4.016 529 HA LEU 72 HA LEU 72 -6.496 3.417 -6.223 530 HB2 LEU 72 1HB LEU 72 -3.613 2.510 -5.993 531 HB3 LEU 72 2HB LEU 72 -4.579 2.521 -7.462 532 HG LEU 72 HG LEU 72 -3.489 4.893 -5.916 533 HD11 LEU 72 1HD1 LEU 72 -1.952 3.894 -7.507 534 HD12 LEU 72 2HD1 LEU 72 -2.476 5.459 -8.102 535 HD13 LEU 72 3HD1 LEU 72 -3.166 3.971 -8.798 536 HD21 LEU 72 3HD2 LEU 72 -4.654 6.333 -7.663 537 HD22 LEU 72 1HD2 LEU 72 -5.715 5.605 -6.458 538 HD23 LEU 72 2HD2 LEU 72 -5.635 4.890 -8.076 539 H LYS 73 H LYS 73 -4.600 1.100 -4.157 540 HA LYS 73 HA LYS 73 -6.737 -0.875 -4.506 541 HB2 LYS 73 1HB LYS 73 -3.878 -1.300 -5.452 542 HB3 LYS 73 2HB LYS 73 -4.863 -2.645 -4.879 543 HG2 LYS 73 1HG LYS 73 -6.600 -2.155 -6.556 544 HG3 LYS 73 2HG LYS 73 -5.604 -0.849 -7.221 545 HD2 LYS 73 1HD LYS 73 -4.669 -3.737 -6.965 546 HD3 LYS 73 2HD LYS 73 -5.448 -3.128 -8.410 547 HE2 LYS 73 1HE LYS 73 -2.900 -1.917 -7.221 548 HE3 LYS 73 2HE LYS 73 -2.912 -3.155 -8.471 549 HZ1 LYS 73 3HZ LYS 73 -4.022 -1.699 -9.939 550 HZ2 LYS 73 1HZ LYS 73 -2.687 -0.943 -9.391 551 HZ3 LYS 73 2HZ LYS 73 -4.170 -0.501 -8.833 552 H VAL 74 H VAL 74 -6.493 -2.661 -2.974 553 HA VAL 74 HA VAL 74 -4.553 -2.349 -0.811 554 HB VAL 74 HB VAL 74 -7.568 -2.749 -0.498 555 HG11 VAL 74 1HG1 VAL 74 -5.363 -2.820 1.614 556 HG12 VAL 74 2HG1 VAL 74 -7.103 -2.763 1.955 557 HG13 VAL 74 3HG1 VAL 74 -6.400 -4.145 1.107 558 HG21 VAL 74 3HG2 VAL 74 -7.078 -0.376 -0.826 559 HG22 VAL 74 1HG2 VAL 74 -7.529 -0.676 0.843 560 HG23 VAL 74 2HG2 VAL 74 -5.824 -0.416 0.414 561 H TYR 75 H TYR 75 -3.827 -4.400 -0.264 562 HA TYR 75 HA TYR 75 -5.533 -6.692 -0.958 563 HB2 TYR 75 1HB TYR 75 -2.574 -6.570 -1.589 564 HB3 TYR 75 2HB TYR 75 -3.478 -8.066 -1.480 565 HD1 TYR 75 2HD TYR 75 -5.575 -8.359 -3.042 566 HD2 TYR 75 1HD TYR 75 -2.506 -5.416 -3.623 567 HE1 TYR 75 2HE TYR 75 -6.242 -8.186 -5.391 568 HE2 TYR 75 1HE TYR 75 -3.131 -5.243 -6.034 569 HH TYR 75 HH TYR 75 -5.985 -6.376 -7.412 570 H ASP 76 H ASP 76 -5.666 -8.113 0.750 571 HA ASP 76 HA ASP 76 -4.678 -7.384 3.307 572 HB2 ASP 76 1HB ASP 76 -6.650 -8.916 2.661 573 HB3 ASP 76 2HB ASP 76 -5.454 -10.206 2.520 574 H GLY 77 H GLY 77 -3.083 -8.444 4.611 575 HA2 GLY 77 2HA GLY 77 -0.454 -8.740 3.437 576 HA3 GLY 77 1HA GLY 77 -0.933 -9.052 5.087 577 H GLU 78 H GLU 78 -3.050 -11.038 3.878 578 HA GLU 78 HA GLU 78 -1.650 -13.497 4.061 579 HB2 GLU 78 1HB GLU 78 -4.142 -12.723 2.506 580 HB3 GLU 78 2HB GLU 78 -3.575 -14.384 2.749 581 HG2 GLU 78 1HG GLU 78 -3.778 -13.904 5.277 582 HG3 GLU 78 2HG GLU 78 -4.685 -12.449 4.808 583 H ILE 79 H ILE 79 -2.059 -11.275 1.285 584 HA ILE 79 HA ILE 79 -1.237 -13.094 -0.738 585 HB ILE 79 HB ILE 79 -2.497 -10.866 -0.868 586 HG12 ILE 79 1HG1 ILE 79 -0.244 -11.202 -2.863 587 HG13 ILE 79 2HG1 ILE 79 -1.666 -12.240 -2.826 588 HG21 ILE 79 1HG2 ILE 79 -1.364 -8.824 -0.910 589 HG22 ILE 79 2HG2 ILE 79 -0.542 -9.678 0.389 590 HG23 ILE 79 3HG2 ILE 79 0.220 -9.560 -1.212 591 HD11 ILE 79 3HD1 ILE 79 -1.795 -10.364 -4.481 592 HD12 ILE 79 1HD1 ILE 79 -3.137 -10.388 -3.316 593 HD13 ILE 79 2HD1 ILE 79 -1.838 -9.214 -3.145 594 H PHE 80 H PHE 80 0.551 -12.111 1.888 595 HA PHE 80 HA PHE 80 3.190 -11.913 0.761 596 HB2 PHE 80 1HB PHE 80 2.681 -11.192 3.040 597 HB3 PHE 80 2HB PHE 80 2.269 -12.855 3.473 598 HD1 PHE 80 2HD PHE 80 5.114 -10.792 2.044 599 HD2 PHE 80 1HD PHE 80 3.920 -14.457 3.977 600 HE1 PHE 80 2HE PHE 80 7.459 -11.562 2.061 601 HE2 PHE 80 1HE PHE 80 6.275 -15.223 3.987 602 HZ PHE 80 HZ PHE 80 8.048 -13.773 3.011 603 H TYR 81 H TYR 81 1.066 -14.651 1.714 604 HA TYR 81 HA TYR 81 3.256 -16.543 1.326 605 HB2 TYR 81 1HB TYR 81 0.319 -16.999 1.944 606 HB3 TYR 81 2HB TYR 81 1.624 -18.177 2.121 607 HD1 TYR 81 2HD TYR 81 3.556 -17.572 3.736 608 HD2 TYR 81 1HD TYR 81 -0.283 -15.603 3.761 609 HE1 TYR 81 2HE TYR 81 4.078 -16.624 5.942 610 HE2 TYR 81 1HE TYR 81 0.245 -14.624 5.970 611 HH TYR 81 HH TYR 81 3.235 -15.373 7.734 612 H HIS 82 H HIS 82 0.806 -15.242 -0.672 613 HA HIS 82 HA HIS 82 0.103 -17.510 -2.251 614 HB2 HIS 82 1HB HIS 82 -1.084 -15.250 -1.865 615 HB3 HIS 82 2HB HIS 82 -0.004 -14.579 -3.064 616 HD1 HIS 82 1HD HIS 82 -3.098 -16.708 -2.645 617 HD2 HIS 82 2HD HIS 82 -0.514 -15.300 -5.653 618 HE1 HIS 82 1HE HIS 82 -4.296 -17.075 -4.864 619 H ARG 83 H ARG 83 0.697 -17.588 -4.770 620 HA ARG 83 HA ARG 83 3.298 -16.645 -5.449 621 HB2 ARG 83 1HB ARG 83 4.364 -18.785 -5.782 622 HB3 ARG 83 2HB ARG 83 3.901 -18.675 -4.080 623 HG2 ARG 83 1HG ARG 83 1.925 -20.097 -4.521 624 HG3 ARG 83 2HG ARG 83 2.342 -20.189 -6.242 625 HD2 ARG 83 1HD ARG 83 4.463 -21.316 -5.688 626 HD3 ARG 83 2HD ARG 83 4.042 -21.243 -3.965 627 HE ARG 83 HE ARG 83 2.036 -22.463 -5.710 628 HH11 ARG 83 1HH1 ARG 83 4.890 -23.176 -3.724 629 HH12 ARG 83 2HH1 ARG 83 4.359 -24.734 -3.240 630 HH21 ARG 83 1HH2 ARG 83 1.350 -24.512 -5.225 631 HH22 ARG 83 2HH2 ARG 83 2.321 -25.629 -4.333 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -5.757 -24.187 -12.343 2 HA2 GLY 1 2HA GLY 1 -4.627 -21.514 -11.767 3 HA3 GLY 1 1HA GLY 1 -5.933 -21.839 -12.931 4 H ALA 2 H ALA 2 -7.186 -20.334 -11.786 5 HA ALA 2 HA ALA 2 -8.400 -19.334 -10.217 6 HB1 ALA 2 1HB ALA 2 -8.718 -21.973 -8.752 7 HB2 ALA 2 2HB ALA 2 -9.722 -20.521 -8.592 8 HB3 ALA 2 3HB ALA 2 -9.748 -21.457 -10.102 9 H ALA 3 H ALA 3 -8.411 -19.153 -7.548 10 HA ALA 3 HA ALA 3 -7.237 -18.117 -5.946 11 HB1 ALA 3 1HB ALA 3 -6.641 -20.431 -5.342 12 HB2 ALA 3 2HB ALA 3 -5.216 -20.336 -6.413 13 HB3 ALA 3 3HB ALA 3 -5.312 -19.305 -4.993 14 H GLY 4 H GLY 4 -7.059 -16.556 -7.982 15 HA2 GLY 4 2HA GLY 4 -4.229 -15.697 -8.227 16 HA3 GLY 4 1HA GLY 4 -5.639 -14.975 -9.032 17 H ILE 5 H ILE 5 -4.513 -13.189 -7.992 18 HA ILE 5 HA ILE 5 -4.455 -12.813 -5.170 19 HB ILE 5 HB ILE 5 -3.861 -10.478 -5.736 20 HG12 ILE 5 1HG1 ILE 5 -4.531 -11.155 -8.637 21 HG13 ILE 5 2HG1 ILE 5 -5.473 -10.099 -7.583 22 HG21 ILE 5 1HG2 ILE 5 -1.808 -10.994 -6.934 23 HG22 ILE 5 2HG2 ILE 5 -2.211 -12.405 -5.948 24 HG23 ILE 5 3HG2 ILE 5 -2.533 -12.416 -7.691 25 HD11 ILE 5 3HD1 ILE 5 -2.654 -9.598 -8.580 26 HD12 ILE 5 1HD1 ILE 5 -4.129 -8.705 -8.978 27 HD13 ILE 5 2HD1 ILE 5 -3.459 -8.617 -7.337 28 H ASP 6 H ASP 6 -7.092 -12.738 -7.221 29 HA ASP 6 HA ASP 6 -8.639 -10.542 -6.481 30 HB2 ASP 6 1HB ASP 6 -8.991 -12.107 -8.361 31 HB3 ASP 6 2HB ASP 6 -9.482 -13.355 -7.218 32 H GLN 7 H GLN 7 -8.253 -13.686 -4.861 33 HA GLN 7 HA GLN 7 -10.377 -13.495 -3.016 34 HB2 GLN 7 1HB GLN 7 -9.173 -15.226 -1.825 35 HB3 GLN 7 2HB GLN 7 -8.982 -15.501 -3.559 36 HG2 GLN 7 1HG GLN 7 -6.735 -14.228 -3.373 37 HG3 GLN 7 2HG GLN 7 -6.966 -14.325 -1.628 38 HE21 GLN 7 1HE2 GLN 7 -5.921 -16.002 -4.455 39 HE22 GLN 7 2HE2 GLN 7 -5.623 -17.545 -3.625 40 H TYR 8 H TYR 8 -7.279 -11.820 -3.075 41 HA TYR 8 HA TYR 8 -7.619 -10.940 -0.252 42 HB2 TYR 8 1HB TYR 8 -5.287 -10.395 -2.110 43 HB3 TYR 8 2HB TYR 8 -5.338 -10.213 -0.362 44 HD1 TYR 8 1HD TYR 8 -6.035 -12.532 0.913 45 HD2 TYR 8 2HD TYR 8 -4.196 -12.247 -2.971 46 HE1 TYR 8 1HE TYR 8 -5.215 -14.836 1.142 47 HE2 TYR 8 2HE TYR 8 -3.318 -14.528 -2.736 48 HH TYR 8 HH TYR 8 -3.881 -16.499 0.230 49 H ALA 9 H ALA 9 -8.729 -9.953 -3.246 50 HA ALA 9 HA ALA 9 -7.902 -7.166 -3.217 51 HB1 ALA 9 1HB ALA 9 -8.423 -8.450 -5.310 52 HB2 ALA 9 2HB ALA 9 -10.117 -8.545 -4.807 53 HB3 ALA 9 3HB ALA 9 -9.379 -6.959 -5.131 54 H LEU 10 H LEU 10 -8.459 -6.360 -1.266 55 HA LEU 10 HA LEU 10 -11.191 -6.539 -0.185 56 HB2 LEU 10 1HB LEU 10 -8.827 -4.825 0.660 57 HB3 LEU 10 2HB LEU 10 -10.327 -5.020 1.548 58 HG LEU 10 HG LEU 10 -8.263 -7.202 1.121 59 HD11 LEU 10 1HD1 LEU 10 -7.879 -6.951 3.537 60 HD12 LEU 10 2HD1 LEU 10 -9.059 -5.633 3.610 61 HD13 LEU 10 3HD1 LEU 10 -7.543 -5.440 2.696 62 HD21 LEU 10 3HD2 LEU 10 -10.901 -7.179 2.651 63 HD22 LEU 10 1HD2 LEU 10 -9.658 -8.446 2.785 64 HD23 LEU 10 2HD2 LEU 10 -10.495 -8.198 1.244 65 H LYS 11 H LYS 11 -12.286 -4.420 0.339 66 HA LYS 11 HA LYS 11 -11.800 -2.406 -1.782 67 HB2 LYS 11 1HB LYS 11 -14.165 -2.035 -2.081 68 HB3 LYS 11 2HB LYS 11 -13.748 -3.724 -2.436 69 HG2 LYS 11 1HG LYS 11 -14.418 -4.262 -0.069 70 HG3 LYS 11 2HG LYS 11 -15.015 -2.613 0.079 71 HD2 LYS 11 1HD LYS 11 -16.964 -3.648 -0.501 72 HD3 LYS 11 2HD LYS 11 -16.382 -3.190 -2.100 73 HE2 LYS 11 1HE LYS 11 -15.409 -5.450 -2.410 74 HE3 LYS 11 2HE LYS 11 -15.959 -5.916 -0.785 75 HZ1 LYS 11 3HZ LYS 11 -17.775 -5.060 -2.945 76 HZ2 LYS 11 1HZ LYS 11 -18.196 -5.660 -1.466 77 HZ3 LYS 11 2HZ LYS 11 -17.473 -6.627 -2.566 78 H GLU 12 H GLU 12 -12.513 -3.079 1.553 79 HA GLU 12 HA GLU 12 -12.097 -0.281 2.224 80 HB2 GLU 12 1HB GLU 12 -14.055 -0.222 3.723 81 HB3 GLU 12 2HB GLU 12 -14.477 -0.327 2.036 82 HG2 GLU 12 1HG GLU 12 -14.392 -3.034 3.035 83 HG3 GLU 12 2HG GLU 12 -15.180 -2.070 4.265 84 H PHE 13 H PHE 13 -11.604 -0.097 4.556 85 HA PHE 13 HA PHE 13 -11.244 -2.495 6.093 86 HB2 PHE 13 1HB PHE 13 -8.863 -2.468 6.392 87 HB3 PHE 13 2HB PHE 13 -9.210 -2.712 4.716 88 HD1 PHE 13 2HD PHE 13 -9.125 -0.476 3.175 89 HD2 PHE 13 1HD PHE 13 -7.131 -0.989 6.975 90 HE1 PHE 13 2HE PHE 13 -7.400 1.147 2.491 91 HE2 PHE 13 1HE PHE 13 -5.365 0.633 6.229 92 HZ PHE 13 HZ PHE 13 -5.537 1.733 4.039 93 H THR 14 H THR 14 -9.887 -1.797 8.161 94 HA THR 14 HA THR 14 -10.094 1.052 8.683 95 HB THR 14 HB THR 14 -10.938 -1.022 10.725 96 HG1 THR 14 1HG THR 14 -12.964 -0.465 10.411 97 HG21 THR 14 3HG2 THR 14 -9.905 1.086 11.647 98 HG22 THR 14 1HG2 THR 14 -11.596 0.849 12.123 99 HG23 THR 14 2HG2 THR 14 -11.194 2.012 10.845 100 H ALA 15 H ALA 15 -8.084 1.664 9.421 101 HA ALA 15 HA ALA 15 -6.451 -0.281 10.879 102 HB1 ALA 15 1HB ALA 15 -4.402 0.406 9.650 103 HB2 ALA 15 2HB ALA 15 -5.532 -0.482 8.603 104 HB3 ALA 15 3HB ALA 15 -5.398 1.293 8.486 105 H ASP 16 H ASP 16 -5.206 0.833 12.440 106 HA ASP 16 HA ASP 16 -4.476 2.563 13.751 107 HB2 ASP 16 1HB ASP 16 -3.618 2.949 11.236 108 HB3 ASP 16 2HB ASP 16 -4.507 4.446 11.452 109 H PHE 17 H PHE 17 -7.235 2.208 13.507 110 HA PHE 17 HA PHE 17 -9.263 3.079 14.180 111 HB2 PHE 17 1HB PHE 17 -7.856 5.539 15.200 112 HB3 PHE 17 2HB PHE 17 -9.322 4.776 15.793 113 HD1 PHE 17 2HD PHE 17 -9.112 2.470 16.954 114 HD2 PHE 17 1HD PHE 17 -5.734 4.992 16.039 115 HE1 PHE 17 2HE PHE 17 -7.729 1.241 18.615 116 HE2 PHE 17 1HE PHE 17 -4.396 3.827 17.790 117 HZ PHE 17 HZ PHE 17 -5.383 1.940 19.026 118 H THR 18 H THR 18 -8.368 3.563 11.470 119 HA THR 18 HA THR 18 -10.003 5.920 10.765 120 HB THR 18 HB THR 18 -7.387 5.087 9.438 121 HG1 THR 18 1HG THR 18 -6.937 5.812 11.504 122 HG21 THR 18 3HG2 THR 18 -7.556 7.381 8.445 123 HG22 THR 18 1HG2 THR 18 -9.133 7.574 9.244 124 HG23 THR 18 2HG2 THR 18 -8.913 6.341 7.999 125 H GLN 19 H GLN 19 -11.625 5.216 9.488 126 HA GLN 19 HA GLN 19 -11.536 2.593 8.167 127 HB2 GLN 19 1HB GLN 19 -13.550 3.466 9.302 128 HB3 GLN 19 2HB GLN 19 -13.649 4.799 8.154 129 HG2 GLN 19 1HG GLN 19 -14.549 3.471 6.521 130 HG3 GLN 19 2HG GLN 19 -13.515 2.090 6.900 131 HE21 GLN 19 1HE2 GLN 19 -14.021 0.751 8.784 132 HE22 GLN 19 2HE2 GLN 19 -15.673 0.603 9.293 133 H PHE 20 H PHE 20 -11.629 2.350 5.880 134 HA PHE 20 HA PHE 20 -10.889 4.639 4.113 135 HB2 PHE 20 1HB PHE 20 -9.323 2.096 4.595 136 HB3 PHE 20 2HB PHE 20 -8.995 3.237 3.314 137 HD1 PHE 20 2HD PHE 20 -8.515 5.767 4.152 138 HD2 PHE 20 1HD PHE 20 -8.126 2.225 6.566 139 HE1 PHE 20 2HE PHE 20 -6.808 6.908 5.527 140 HE2 PHE 20 1HE PHE 20 -6.396 3.376 7.956 141 HZ PHE 20 HZ PHE 20 -5.706 5.693 7.414 142 H HIS 21 H HIS 21 -10.956 4.050 1.860 143 HA HIS 21 HA HIS 21 -12.368 1.592 1.075 144 HB2 HIS 21 1HB HIS 21 -13.280 4.373 0.245 145 HB3 HIS 21 2HB HIS 21 -14.083 2.834 -0.066 146 HD1 HIS 21 1HD HIS 21 -13.645 5.491 2.644 147 HD2 HIS 21 2HD HIS 21 -15.437 1.709 2.058 148 HE1 HIS 21 1HE HIS 21 -15.052 5.032 4.720 149 H ILE 22 H ILE 22 -12.276 1.402 -1.381 150 HA ILE 22 HA ILE 22 -9.809 2.245 -2.559 151 HB ILE 22 HB ILE 22 -12.393 1.489 -3.986 152 HG12 ILE 22 1HG1 ILE 22 -11.878 -0.384 -2.667 153 HG13 ILE 22 2HG1 ILE 22 -11.328 -0.760 -4.280 154 HG21 ILE 22 1HG2 ILE 22 -10.870 0.863 -5.872 155 HG22 ILE 22 2HG2 ILE 22 -10.878 2.588 -5.529 156 HG23 ILE 22 3HG2 ILE 22 -9.518 1.586 -4.982 157 HD11 ILE 22 3HD1 ILE 22 -8.967 -0.232 -3.574 158 HD12 ILE 22 1HD1 ILE 22 -9.567 0.007 -1.914 159 HD13 ILE 22 2HD1 ILE 22 -9.697 -1.577 -2.686 160 H GLY 23 H GLY 23 -9.216 4.240 -3.069 161 HA2 GLY 23 2HA GLY 23 -9.277 6.258 -4.182 162 HA3 GLY 23 1HA GLY 23 -11.015 6.121 -4.442 163 H ASP 24 H ASP 24 -10.337 5.538 -1.118 164 HA ASP 24 HA ASP 24 -10.750 8.354 -0.334 165 HB2 ASP 24 1HB ASP 24 -10.750 5.774 1.056 166 HB3 ASP 24 2HB ASP 24 -9.680 6.885 1.863 167 H THR 25 H THR 25 -8.865 9.065 1.331 168 HA THR 25 HA THR 25 -6.264 8.633 -0.022 169 HB THR 25 HB THR 25 -6.823 11.261 1.169 170 HG1 THR 25 1HG THR 25 -8.800 10.875 -0.027 171 HG21 THR 25 3HG2 THR 25 -5.640 12.140 -0.712 172 HG22 THR 25 1HG2 THR 25 -5.742 10.589 -1.549 173 HG23 THR 25 2HG2 THR 25 -4.748 10.752 -0.064 174 H VAL 26 H VAL 26 -4.471 8.728 1.258 175 HA VAL 26 HA VAL 26 -5.015 7.838 4.032 176 HB VAL 26 HB VAL 26 -2.807 6.897 4.050 177 HG11 VAL 26 1HG1 VAL 26 -3.071 5.215 2.365 178 HG12 VAL 26 2HG1 VAL 26 -4.664 5.690 2.943 179 HG13 VAL 26 3HG1 VAL 26 -4.062 6.285 1.374 180 HG21 VAL 26 3HG2 VAL 26 -1.233 6.971 2.186 181 HG22 VAL 26 1HG2 VAL 26 -2.251 8.155 1.351 182 HG23 VAL 26 2HG2 VAL 26 -1.496 8.569 2.888 183 HA PRO 27 HA PRO 27 -2.990 11.447 5.899 184 HB2 PRO 27 1HB PRO 27 -1.737 10.392 8.043 185 HB3 PRO 27 2HB PRO 27 -3.477 10.484 8.014 186 HG2 PRO 27 1HG PRO 27 -1.895 8.081 7.215 187 HG3 PRO 27 2HG PRO 27 -3.266 8.164 8.365 188 HD2 PRO 27 1HD PRO 27 -3.692 7.406 5.871 189 HD3 PRO 27 2HD PRO 27 -4.801 8.590 6.613 190 H ALA 28 H ALA 28 -0.915 12.398 6.126 191 HA ALA 28 HA ALA 28 1.036 11.545 4.249 192 HB1 ALA 28 1HB ALA 28 0.588 13.877 4.616 193 HB2 ALA 28 2HB ALA 28 1.065 13.734 6.325 194 HB3 ALA 28 3HB ALA 28 2.272 13.528 5.041 195 H MET 29 H MET 29 0.626 10.609 7.561 196 HA MET 29 HA MET 29 3.255 9.962 8.298 197 HB2 MET 29 1HB MET 29 2.116 8.056 9.602 198 HB3 MET 29 2HB MET 29 1.582 9.674 9.919 199 HG2 MET 29 1HG MET 29 -0.203 9.033 8.057 200 HG3 MET 29 2HG MET 29 0.028 7.516 8.823 201 HE1 MET 29 3HE MET 29 -0.670 6.942 11.326 202 HE2 MET 29 1HE MET 29 0.635 8.054 11.778 203 HE3 MET 29 2HE MET 29 -0.968 8.181 12.551 204 H TYR 30 H TYR 30 1.278 8.553 5.851 205 HA TYR 30 HA TYR 30 3.161 6.237 5.633 206 HB2 TYR 30 1HB TYR 30 0.379 6.612 4.509 207 HB3 TYR 30 2HB TYR 30 1.310 5.123 4.557 208 HD1 TYR 30 1HD TYR 30 2.388 5.443 7.511 209 HD2 TYR 30 2HD TYR 30 -1.519 6.171 5.827 210 HE1 TYR 30 1HE TYR 30 1.366 4.994 9.673 211 HE2 TYR 30 2HE TYR 30 -2.551 5.615 7.986 212 HH TYR 30 HH TYR 30 -2.077 5.353 10.222 213 H LEU 31 H LEU 31 2.556 9.186 4.064 214 HA LEU 31 HA LEU 31 3.175 8.335 1.342 215 HB2 LEU 31 1HB LEU 31 3.099 10.997 2.821 216 HB3 LEU 31 2HB LEU 31 3.835 10.896 1.237 217 HG LEU 31 HG LEU 31 1.467 11.702 1.254 218 HD11 LEU 31 1HD1 LEU 31 2.151 9.244 -0.391 219 HD12 LEU 31 2HD1 LEU 31 2.353 10.946 -0.838 220 HD13 LEU 31 3HD1 LEU 31 0.725 10.240 -0.673 221 HD21 LEU 31 3HD2 LEU 31 0.680 8.807 1.704 222 HD22 LEU 31 1HD2 LEU 31 -0.382 10.217 1.456 223 HD23 LEU 31 2HD2 LEU 31 0.563 10.058 2.933 224 H THR 32 H THR 32 4.986 9.150 4.246 225 HA THR 32 HA THR 32 7.436 9.824 3.016 226 HB THR 32 HB THR 32 6.748 10.424 5.275 227 HG1 THR 32 1HG THR 32 8.709 9.719 6.398 228 HG21 THR 32 3HG2 THR 32 7.219 7.567 6.131 229 HG22 THR 32 1HG2 THR 32 5.625 8.322 5.948 230 HG23 THR 32 2HG2 THR 32 6.752 8.939 7.152 231 HA PRO 33 HA PRO 33 8.789 6.027 1.393 232 HB2 PRO 33 1HB PRO 33 11.576 6.214 1.604 233 HB3 PRO 33 2HB PRO 33 10.535 7.006 0.405 234 HG2 PRO 33 1HG PRO 33 11.633 8.165 2.954 235 HG3 PRO 33 2HG PRO 33 11.560 8.921 1.336 236 HD2 PRO 33 1HD PRO 33 9.745 9.493 3.244 237 HD3 PRO 33 2HD PRO 33 9.237 9.315 1.539 238 H GLU 34 H GLU 34 9.199 6.447 4.683 239 HA GLU 34 HA GLU 34 10.699 4.185 5.524 240 HB2 GLU 34 1HB GLU 34 8.390 5.762 6.711 241 HB3 GLU 34 2HB GLU 34 9.118 4.415 7.576 242 HG2 GLU 34 1HG GLU 34 11.338 5.494 7.443 243 HG3 GLU 34 2HG GLU 34 10.642 6.860 6.549 244 H TYR 35 H TYR 35 7.335 4.420 4.317 245 HA TYR 35 HA TYR 35 6.874 1.599 5.110 246 HB2 TYR 35 1HB TYR 35 4.913 3.731 4.213 247 HB3 TYR 35 2HB TYR 35 4.521 2.120 4.806 248 HD1 TYR 35 1HD TYR 35 5.957 5.428 5.782 249 HD2 TYR 35 2HD TYR 35 4.493 1.608 7.181 250 HE1 TYR 35 1HE TYR 35 6.197 6.197 8.097 251 HE2 TYR 35 2HE TYR 35 4.670 2.402 9.510 252 HH TYR 35 HH TYR 35 6.188 5.566 10.340 253 H ASN 36 H ASN 36 7.755 3.325 2.466 254 HA ASN 36 HA ASN 36 6.394 2.262 0.264 255 HB2 ASN 36 1HB ASN 36 7.680 4.335 0.265 256 HB3 ASN 36 2HB ASN 36 9.193 3.437 0.408 257 HD21 ASN 36 1HD2 ASN 36 8.710 5.292 -1.555 258 HD22 ASN 36 2HD2 ASN 36 8.492 4.569 -3.103 259 H ILE 37 H ILE 37 6.238 0.098 0.024 260 HA ILE 37 HA ILE 37 8.526 -1.679 0.312 261 HB ILE 37 HB ILE 37 5.764 -2.392 -0.714 262 HG12 ILE 37 1HG1 ILE 37 6.712 -2.565 2.188 263 HG13 ILE 37 2HG1 ILE 37 5.665 -1.280 1.566 264 HG21 ILE 37 1HG2 ILE 37 6.459 -4.682 0.046 265 HG22 ILE 37 2HG2 ILE 37 7.582 -4.059 -1.132 266 HG23 ILE 37 3HG2 ILE 37 8.006 -4.033 0.590 267 HD11 ILE 37 3HD1 ILE 37 4.958 -4.195 1.553 268 HD12 ILE 37 1HD1 ILE 37 4.285 -2.923 2.586 269 HD13 ILE 37 2HD1 ILE 37 4.001 -2.876 0.832 270 H LYS 38 H LYS 38 9.846 -0.742 -1.226 271 HA LYS 38 HA LYS 38 9.297 -0.761 -4.065 272 HB2 LYS 38 1HB LYS 38 12.011 -1.026 -2.710 273 HB3 LYS 38 2HB LYS 38 11.722 -0.599 -4.401 274 HG2 LYS 38 1HG LYS 38 10.506 1.475 -3.621 275 HG3 LYS 38 2HG LYS 38 10.922 1.037 -1.967 276 HD2 LYS 38 1HD LYS 38 12.642 2.499 -2.465 277 HD3 LYS 38 2HD LYS 38 13.395 0.950 -2.873 278 HE2 LYS 38 1HE LYS 38 12.618 1.358 -5.290 279 HE3 LYS 38 2HE LYS 38 12.108 2.966 -4.753 280 HZ1 LYS 38 3HZ LYS 38 14.216 3.295 -5.580 281 HZ2 LYS 38 1HZ LYS 38 14.833 1.892 -5.004 282 HZ3 LYS 38 2HZ LYS 38 14.548 3.141 -3.965 283 H GLN 39 H GLN 39 9.633 -3.438 -1.983 284 HA GLN 39 HA GLN 39 10.768 -5.236 -4.062 285 HB2 GLN 39 1HB GLN 39 10.184 -5.541 -1.084 286 HB3 GLN 39 2HB GLN 39 10.604 -6.887 -2.141 287 HG2 GLN 39 1HG GLN 39 12.556 -6.157 -0.930 288 HG3 GLN 39 2HG GLN 39 12.775 -5.917 -2.660 289 HE21 GLN 39 1HE2 GLN 39 11.772 -4.111 0.323 290 HE22 GLN 39 2HE2 GLN 39 12.528 -2.607 -0.151 291 H TRP 40 H TRP 40 8.941 -5.188 -5.532 292 HA TRP 40 HA TRP 40 6.613 -6.729 -4.511 293 HB2 TRP 40 1HB TRP 40 5.151 -5.378 -5.864 294 HB3 TRP 40 2HB TRP 40 5.931 -4.458 -4.568 295 HD1 TRP 40 HD TRP 40 7.190 -2.307 -5.213 296 HE1 TRP 40 1HE TRP 40 7.672 -1.067 -7.419 297 HE3 TRP 40 3HE TRP 40 5.471 -5.830 -8.531 298 HZ2 TRP 40 2HZ TRP 40 7.423 -1.574 -10.237 299 HZ3 TRP 40 3HZ TRP 40 5.720 -5.463 -10.962 300 HH2 TRP 40 HH TRP 40 6.719 -3.346 -11.824 301 H GLN 41 H GLN 41 8.820 -6.142 -7.262 302 HA GLN 41 HA GLN 41 7.452 -7.690 -9.159 303 HB2 GLN 41 1HB GLN 41 10.077 -6.516 -8.833 304 HB3 GLN 41 2HB GLN 41 10.295 -8.153 -9.427 305 HG2 GLN 41 1HG GLN 41 8.897 -7.745 -11.349 306 HG3 GLN 41 2HG GLN 41 8.370 -6.185 -10.708 307 HE21 GLN 41 1HE2 GLN 41 9.193 -5.700 -13.089 308 HE22 GLN 41 2HE2 GLN 41 10.847 -5.084 -13.112 309 H GLN 42 H GLN 42 9.567 -8.770 -6.517 310 HA GLN 42 HA GLN 42 9.378 -11.588 -7.300 311 HB2 GLN 42 1HB GLN 42 10.469 -10.356 -4.736 312 HB3 GLN 42 2HB GLN 42 10.727 -11.999 -5.333 313 HG2 GLN 42 1HG GLN 42 11.854 -11.010 -7.372 314 HG3 GLN 42 2HG GLN 42 11.793 -9.441 -6.556 315 HE21 GLN 42 1HE2 GLN 42 14.159 -11.126 -7.371 316 HE22 GLN 42 2HE2 GLN 42 15.074 -11.319 -5.884 317 H ARG 43 H ARG 43 6.877 -9.753 -6.330 318 HA ARG 43 HA ARG 43 5.875 -11.736 -4.387 319 HB2 ARG 43 1HB ARG 43 5.276 -8.763 -4.163 320 HB3 ARG 43 2HB ARG 43 4.843 -10.075 -3.066 321 HG2 ARG 43 1HG ARG 43 7.490 -10.378 -2.877 322 HG3 ARG 43 2HG ARG 43 7.508 -8.699 -3.403 323 HD2 ARG 43 1HD ARG 43 6.063 -9.865 -0.993 324 HD3 ARG 43 2HD ARG 43 7.588 -8.979 -0.935 325 HE ARG 43 HE ARG 43 6.003 -7.141 -2.089 326 HH11 ARG 43 1HH1 ARG 43 5.951 -8.865 0.978 327 HH12 ARG 43 2HH1 ARG 43 4.741 -7.907 1.733 328 HH21 ARG 43 1HH2 ARG 43 4.339 -5.797 -1.158 329 HH22 ARG 43 2HH2 ARG 43 3.770 -6.117 0.445 330 H ASN 44 H ASN 44 3.490 -11.658 -4.294 331 HA ASN 44 HA ASN 44 2.628 -12.256 -6.953 332 HB2 ASN 44 1HB ASN 44 0.921 -12.084 -4.438 333 HB3 ASN 44 2HB ASN 44 0.567 -12.998 -5.901 334 HD21 ASN 44 1HD2 ASN 44 1.909 -13.262 -2.751 335 HD22 ASN 44 2HD2 ASN 44 2.742 -14.761 -3.085 336 H LEU 45 H LEU 45 2.323 -9.440 -4.997 337 HA LEU 45 HA LEU 45 -0.091 -8.266 -5.860 338 HB2 LEU 45 1HB LEU 45 2.588 -7.132 -4.962 339 HB3 LEU 45 2HB LEU 45 1.221 -6.088 -5.308 340 HG LEU 45 HG LEU 45 0.822 -8.360 -3.357 341 HD11 LEU 45 1HD1 LEU 45 2.037 -5.677 -2.618 342 HD12 LEU 45 2HD1 LEU 45 2.909 -7.233 -2.641 343 HD13 LEU 45 3HD1 LEU 45 1.572 -6.978 -1.502 344 HD21 LEU 45 3HD2 LEU 45 -0.727 -6.728 -2.346 345 HD22 LEU 45 1HD2 LEU 45 -1.124 -6.996 -4.055 346 HD23 LEU 45 2HD2 LEU 45 -0.282 -5.514 -3.557 347 HA PRO 46 HA PRO 46 1.143 -6.720 -9.899 348 HB2 PRO 46 1HB PRO 46 -0.442 -4.465 -10.137 349 HB3 PRO 46 2HB PRO 46 -1.083 -6.121 -10.310 350 HG2 PRO 46 1HG PRO 46 -1.155 -4.318 -7.933 351 HG3 PRO 46 2HG PRO 46 -2.467 -5.337 -8.571 352 HD2 PRO 46 1HD PRO 46 -0.891 -6.046 -6.432 353 HD3 PRO 46 2HD PRO 46 -1.562 -7.261 -7.564 354 H ALA 47 H ALA 47 1.890 -4.672 -10.864 355 HA ALA 47 HA ALA 47 3.968 -3.277 -9.474 356 HB1 ALA 47 1HB ALA 47 3.883 -1.889 -11.603 357 HB2 ALA 47 2HB ALA 47 3.969 -3.631 -11.915 358 HB3 ALA 47 3HB ALA 47 2.429 -2.777 -12.061 359 HA PRO 48 HA PRO 48 1.371 0.206 -8.062 360 HB2 PRO 48 1HB PRO 48 2.964 2.376 -8.458 361 HB3 PRO 48 2HB PRO 48 3.302 1.186 -7.167 362 HG2 PRO 48 1HG PRO 48 4.534 1.320 -9.939 363 HG3 PRO 48 2HG PRO 48 5.378 1.181 -8.361 364 HD2 PRO 48 1HD PRO 48 4.821 -0.993 -9.903 365 HD3 PRO 48 2HD PRO 48 4.745 -1.079 -8.120 366 H ASP 49 H ASP 49 0.509 2.292 -9.101 367 HA ASP 49 HA ASP 49 0.346 2.157 -12.060 368 HB2 ASP 49 1HB ASP 49 -1.063 3.868 -9.973 369 HB3 ASP 49 2HB ASP 49 -1.056 4.264 -11.673 370 H ALA 50 H ALA 50 0.914 4.213 -13.125 371 HA ALA 50 HA ALA 50 3.536 5.159 -12.374 372 HB1 ALA 50 1HB ALA 50 1.487 6.209 -14.376 373 HB2 ALA 50 2HB ALA 50 3.202 6.672 -14.277 374 HB3 ALA 50 3HB ALA 50 2.767 5.009 -14.713 375 H GLY 51 H GLY 51 3.845 6.483 -10.621 376 HA2 GLY 51 2HA GLY 51 3.663 8.634 -9.618 377 HA3 GLY 51 1HA GLY 51 1.987 8.755 -10.138 378 H SER 52 H SER 52 3.239 5.696 -8.686 379 HA SER 52 HA SER 52 2.226 6.442 -6.053 380 HB2 SER 52 1HB SER 52 0.653 4.417 -6.071 381 HB3 SER 52 2HB SER 52 0.117 5.848 -6.919 382 HG SER 52 HG SER 52 1.447 4.345 -8.686 383 H HIS 53 H HIS 53 2.406 4.551 -4.482 384 HA HIS 53 HA HIS 53 4.104 2.372 -5.345 385 HB2 HIS 53 1HB HIS 53 5.767 2.634 -3.637 386 HB3 HIS 53 2HB HIS 53 5.848 3.984 -4.771 387 HD1 HIS 53 1HD HIS 53 5.631 6.432 -3.665 388 HD2 HIS 53 2HD HIS 53 4.684 3.172 -1.143 389 HE1 HIS 53 1HE HIS 53 5.251 7.384 -1.349 390 H TRP 54 H TRP 54 4.384 0.781 -3.467 391 HA TRP 54 HA TRP 54 1.742 0.533 -2.198 392 HB2 TRP 54 1HB TRP 54 4.009 -1.413 -2.757 393 HB3 TRP 54 2HB TRP 54 2.598 -1.816 -1.786 394 HD1 TRP 54 HD TRP 54 3.598 -1.196 -5.435 395 HE1 TRP 54 1HE TRP 54 1.675 -2.046 -6.976 396 HE3 TRP 54 3HE TRP 54 0.015 -2.149 -1.903 397 HZ2 TRP 54 2HZ TRP 54 -1.052 -2.695 -6.714 398 HZ3 TRP 54 3HZ TRP 54 -2.249 -2.905 -2.580 399 HH2 TRP 54 HH TRP 54 -2.802 -3.166 -4.990 400 H THR 55 H THR 55 1.491 0.424 0.083 401 HA THR 55 HA THR 55 3.954 0.602 1.693 402 HB THR 55 HB THR 55 3.060 2.251 3.099 403 HG1 THR 55 1HG THR 55 1.104 2.449 3.429 404 HG21 THR 55 3HG2 THR 55 2.684 4.185 1.714 405 HG22 THR 55 1HG2 THR 55 2.297 3.165 0.307 406 HG23 THR 55 2HG2 THR 55 3.938 3.149 0.994 407 H TYR 56 H TYR 56 3.431 0.181 4.077 408 HA TYR 56 HA TYR 56 1.570 -2.135 4.255 409 HB2 TYR 56 1HB TYR 56 4.112 -2.275 4.864 410 HB3 TYR 56 2HB TYR 56 3.648 -1.460 6.349 411 HD1 TYR 56 2HD TYR 56 2.306 -4.195 4.157 412 HD2 TYR 56 1HD TYR 56 3.290 -2.987 8.170 413 HE1 TYR 56 2HE TYR 56 1.594 -6.415 4.982 414 HE2 TYR 56 1HE TYR 56 2.582 -5.214 9.009 415 HH TYR 56 HH TYR 56 0.758 -7.363 7.148 416 H MET 57 H MET 57 -0.450 -1.610 5.020 417 HA MET 57 HA MET 57 -0.701 0.438 7.119 418 HB2 MET 57 1HB MET 57 -1.349 0.948 4.566 419 HB3 MET 57 2HB MET 57 -2.823 0.081 4.980 420 HG2 MET 57 1HG MET 57 -3.261 1.623 6.799 421 HG3 MET 57 2HG MET 57 -1.615 2.259 6.658 422 HE1 MET 57 3HE MET 57 -1.133 2.998 3.561 423 HE2 MET 57 1HE MET 57 -1.563 4.698 3.820 424 HE3 MET 57 2HE MET 57 -0.735 3.776 5.083 425 H GLY 58 H GLY 58 -1.522 -0.504 8.909 426 HA2 GLY 58 2HA GLY 58 -3.032 -1.674 10.233 427 HA3 GLY 58 1HA GLY 58 -3.927 -2.135 8.793 428 H GLY 59 H GLY 59 -0.909 -3.180 7.972 429 HA2 GLY 59 2HA GLY 59 0.006 -5.404 8.515 430 HA3 GLY 59 1HA GLY 59 -1.634 -5.945 8.863 431 H ASN 60 H ASN 60 -2.105 -3.862 6.346 432 HA ASN 60 HA ASN 60 -2.124 -6.066 4.366 433 HB2 ASN 60 1HB ASN 60 -3.719 -3.497 4.462 434 HB3 ASN 60 2HB ASN 60 -4.000 -4.844 3.359 435 HD21 ASN 60 1HD2 ASN 60 -5.527 -3.456 5.696 436 HD22 ASN 60 2HD2 ASN 60 -6.066 -4.763 6.760 437 H TYR 61 H TYR 61 -2.205 -5.093 2.032 438 HA TYR 61 HA TYR 61 0.070 -3.193 1.750 439 HB2 TYR 61 1HB TYR 61 -0.900 -5.406 -0.098 440 HB3 TYR 61 2HB TYR 61 0.434 -4.299 -0.421 441 HD1 TYR 61 2HD TYR 61 2.249 -4.158 1.521 442 HD2 TYR 61 1HD TYR 61 -0.438 -7.459 0.989 443 HE1 TYR 61 2HE TYR 61 3.803 -5.633 2.815 444 HE2 TYR 61 1HE TYR 61 1.132 -8.955 2.174 445 HH TYR 61 HH TYR 61 3.119 -8.605 4.022 446 H VAL 62 H VAL 62 -0.559 -1.204 1.075 447 HA VAL 62 HA VAL 62 -2.976 -1.043 -0.670 448 HB VAL 62 HB VAL 62 -3.614 1.004 0.360 449 HG11 VAL 62 1HG1 VAL 62 -4.320 -1.165 1.435 450 HG12 VAL 62 2HG1 VAL 62 -3.043 -0.954 2.637 451 HG13 VAL 62 3HG1 VAL 62 -4.354 0.236 2.517 452 HG21 VAL 62 3HG2 VAL 62 -1.257 0.701 2.272 453 HG22 VAL 62 1HG2 VAL 62 -1.406 1.928 1.010 454 HG23 VAL 62 2HG2 VAL 62 -2.557 1.923 2.350 455 H LEU 63 H LEU 63 -2.867 0.395 -2.343 456 HA LEU 63 HA LEU 63 -0.121 1.366 -3.084 457 HB2 LEU 63 1HB LEU 63 -1.177 -0.137 -4.705 458 HB3 LEU 63 2HB LEU 63 -2.614 0.864 -4.742 459 HG LEU 63 HG LEU 63 -1.270 2.736 -5.741 460 HD11 LEU 63 1HD1 LEU 63 1.001 2.098 -6.694 461 HD12 LEU 63 2HD1 LEU 63 1.006 0.725 -5.563 462 HD13 LEU 63 3HD1 LEU 63 0.922 2.392 -4.979 463 HD21 LEU 63 3HD2 LEU 63 -0.981 0.099 -7.257 464 HD22 LEU 63 1HD2 LEU 63 -1.062 1.739 -7.946 465 HD23 LEU 63 2HD2 LEU 63 -2.475 1.068 -7.155 466 H ILE 64 H ILE 64 0.240 3.559 -2.929 467 HA ILE 64 HA ILE 64 -2.115 5.352 -2.861 468 HB ILE 64 HB ILE 64 -1.059 6.601 -1.049 469 HG12 ILE 64 1HG1 ILE 64 0.737 4.872 0.173 470 HG13 ILE 64 2HG1 ILE 64 1.205 4.783 -1.534 471 HG21 ILE 64 1HG2 ILE 64 -1.505 3.676 -0.393 472 HG22 ILE 64 2HG2 ILE 64 -1.539 5.026 0.743 473 HG23 ILE 64 3HG2 ILE 64 -2.757 4.933 -0.544 474 HD11 ILE 64 3HD1 ILE 64 2.424 6.536 -0.305 475 HD12 ILE 64 1HD1 ILE 64 1.449 7.213 -1.627 476 HD13 ILE 64 2HD1 ILE 64 0.886 7.334 0.058 477 H THR 65 H THR 65 -1.865 7.393 -3.792 478 HA THR 65 HA THR 65 0.155 7.595 -5.832 479 HB THR 65 HB THR 65 -0.899 10.071 -5.845 480 HG1 THR 65 1HG THR 65 -3.066 9.966 -5.302 481 HG21 THR 65 3HG2 THR 65 -2.710 9.090 -7.367 482 HG22 THR 65 1HG2 THR 65 -2.082 7.494 -6.917 483 HG23 THR 65 2HG2 THR 65 -1.036 8.692 -7.745 484 H ASP 66 H ASP 66 2.068 8.619 -5.838 485 HA ASP 66 HA ASP 66 3.206 9.182 -3.249 486 HB2 ASP 66 1HB ASP 66 4.096 8.286 -5.674 487 HB3 ASP 66 2HB ASP 66 4.698 9.926 -5.753 488 H THR 67 H THR 67 1.351 11.000 -4.914 489 HA THR 67 HA THR 67 2.572 13.660 -4.355 490 HB THR 67 HB THR 67 2.607 12.932 -6.699 491 HG1 THR 67 1HG THR 67 0.629 14.892 -6.753 492 HG21 THR 67 3HG2 THR 67 0.473 12.802 -8.002 493 HG22 THR 67 1HG2 THR 67 -0.413 12.815 -6.475 494 HG23 THR 67 2HG2 THR 67 0.671 11.461 -6.875 495 H GLU 68 H GLU 68 0.261 11.687 -3.103 496 HA GLU 68 HA GLU 68 -1.654 13.761 -2.320 497 HB2 GLU 68 1HB GLU 68 -2.302 13.456 -4.652 498 HB3 GLU 68 2HB GLU 68 -2.181 11.734 -4.511 499 HG2 GLU 68 1HG GLU 68 -4.164 11.740 -2.979 500 HG3 GLU 68 2HG GLU 68 -4.270 13.501 -3.184 501 H GLY 69 H GLY 69 -1.361 10.252 -3.041 502 HA2 GLY 69 2HA GLY 69 -1.249 8.555 -1.564 503 HA3 GLY 69 1HA GLY 69 -1.831 9.560 -0.254 504 H LYS 70 H LYS 70 -3.690 9.364 -3.387 505 HA LYS 70 HA LYS 70 -5.991 8.342 -2.023 506 HB2 LYS 70 1HB LYS 70 -5.199 8.874 -4.875 507 HB3 LYS 70 2HB LYS 70 -6.383 7.644 -4.574 508 HG2 LYS 70 1HG LYS 70 -7.544 9.440 -3.005 509 HG3 LYS 70 2HG LYS 70 -6.615 10.586 -3.955 510 HD2 LYS 70 1HD LYS 70 -8.730 8.604 -4.840 511 HD3 LYS 70 2HD LYS 70 -8.808 10.355 -4.904 512 HE2 LYS 70 1HE LYS 70 -7.060 8.538 -6.638 513 HE3 LYS 70 2HE LYS 70 -8.543 9.357 -7.129 514 HZ1 LYS 70 3HZ LYS 70 -6.643 10.637 -7.879 515 HZ2 LYS 70 1HZ LYS 70 -5.970 10.649 -6.393 516 HZ3 LYS 70 2HZ LYS 70 -7.342 11.473 -6.642 517 H ILE 71 H ILE 71 -6.497 6.418 -1.545 518 HA ILE 71 HA ILE 71 -4.859 4.077 -1.699 519 HB ILE 71 HB ILE 71 -7.796 4.540 -0.983 520 HG12 ILE 71 1HG1 ILE 71 -5.320 4.391 0.802 521 HG13 ILE 71 2HG1 ILE 71 -6.213 5.873 0.402 522 HG21 ILE 71 1HG2 ILE 71 -7.311 2.125 -1.437 523 HG22 ILE 71 2HG2 ILE 71 -6.042 2.170 -0.193 524 HG23 ILE 71 3HG2 ILE 71 -7.752 2.439 0.235 525 HD11 ILE 71 3HD1 ILE 71 -8.261 4.812 1.469 526 HD12 ILE 71 1HD1 ILE 71 -7.127 3.604 2.140 527 HD13 ILE 71 2HD1 ILE 71 -6.926 5.319 2.522 528 H LEU 72 H LEU 72 -4.413 3.869 -3.922 529 HA LEU 72 HA LEU 72 -6.520 3.793 -5.930 530 HB2 LEU 72 1HB LEU 72 -3.665 2.725 -6.025 531 HB3 LEU 72 2HB LEU 72 -4.770 2.841 -7.400 532 HG LEU 72 HG LEU 72 -3.440 5.099 -5.858 533 HD11 LEU 72 1HD1 LEU 72 -2.640 5.687 -8.135 534 HD12 LEU 72 2HD1 LEU 72 -3.458 4.249 -8.789 535 HD13 LEU 72 3HD1 LEU 72 -2.134 4.078 -7.625 536 HD21 LEU 72 3HD2 LEU 72 -5.673 5.927 -6.150 537 HD22 LEU 72 1HD2 LEU 72 -5.789 5.291 -7.796 538 HD23 LEU 72 2HD2 LEU 72 -4.698 6.667 -7.410 539 H LYS 73 H LYS 73 -4.752 1.302 -4.026 540 HA LYS 73 HA LYS 73 -6.888 -0.632 -4.624 541 HB2 LYS 73 1HB LYS 73 -3.968 -1.016 -5.420 542 HB3 LYS 73 2HB LYS 73 -5.061 -2.376 -5.105 543 HG2 LYS 73 1HG LYS 73 -6.620 -1.594 -6.818 544 HG3 LYS 73 2HG LYS 73 -5.566 -0.226 -7.196 545 HD2 LYS 73 1HD LYS 73 -4.526 -3.061 -7.346 546 HD3 LYS 73 2HD LYS 73 -5.484 -2.360 -8.640 547 HE2 LYS 73 1HE LYS 73 -3.024 -0.937 -7.573 548 HE3 LYS 73 2HE LYS 73 -2.909 -2.186 -8.836 549 HZ1 LYS 73 3HZ LYS 73 -3.144 0.153 -9.703 550 HZ2 LYS 73 1HZ LYS 73 -4.673 0.182 -9.128 551 HZ3 LYS 73 2HZ LYS 73 -4.245 -0.940 -10.250 552 H VAL 74 H VAL 74 -6.742 -2.486 -3.232 553 HA VAL 74 HA VAL 74 -4.786 -2.405 -1.053 554 HB VAL 74 HB VAL 74 -7.774 -2.846 -0.591 555 HG11 VAL 74 1HG1 VAL 74 -5.310 -3.060 1.195 556 HG12 VAL 74 2HG1 VAL 74 -6.950 -2.868 1.847 557 HG13 VAL 74 3HG1 VAL 74 -6.544 -4.270 0.868 558 HG21 VAL 74 3HG2 VAL 74 -7.446 -0.469 -0.850 559 HG22 VAL 74 1HG2 VAL 74 -7.655 -0.821 0.858 560 HG23 VAL 74 2HG2 VAL 74 -6.030 -0.479 0.210 561 H TYR 75 H TYR 75 -4.023 -4.410 -0.680 562 HA TYR 75 HA TYR 75 -5.780 -6.678 -1.287 563 HB2 TYR 75 1HB TYR 75 -2.834 -6.626 -1.886 564 HB3 TYR 75 2HB TYR 75 -3.784 -8.101 -1.755 565 HD1 TYR 75 1HD TYR 75 -3.126 -5.130 -3.831 566 HD2 TYR 75 2HD TYR 75 -5.479 -8.707 -3.450 567 HE1 TYR 75 1HE TYR 75 -3.907 -4.876 -6.186 568 HE2 TYR 75 2HE TYR 75 -6.233 -8.483 -5.760 569 HH TYR 75 HH TYR 75 -5.562 -5.656 -7.822 570 H ASP 76 H ASP 76 -5.823 -8.139 0.471 571 HA ASP 76 HA ASP 76 -4.978 -7.247 3.046 572 HB2 ASP 76 1HB ASP 76 -6.799 -8.944 2.525 573 HB3 ASP 76 2HB ASP 76 -5.525 -10.137 2.272 574 H GLY 77 H GLY 77 -3.314 -8.164 4.441 575 HA2 GLY 77 2HA GLY 77 -0.682 -8.404 3.355 576 HA3 GLY 77 1HA GLY 77 -1.203 -8.791 4.984 577 H GLU 78 H GLU 78 -3.231 -10.810 3.900 578 HA GLU 78 HA GLU 78 -1.764 -13.171 4.000 579 HB2 GLU 78 1HB GLU 78 -4.370 -12.562 2.576 580 HB3 GLU 78 2HB GLU 78 -3.657 -14.178 2.705 581 HG2 GLU 78 1HG GLU 78 -3.658 -13.538 5.328 582 HG3 GLU 78 2HG GLU 78 -5.038 -12.558 4.798 583 H ILE 79 H ILE 79 -2.165 -11.047 1.160 584 HA ILE 79 HA ILE 79 -1.418 -12.945 -0.820 585 HB ILE 79 HB ILE 79 -2.613 -10.732 -1.069 586 HG12 ILE 79 1HG1 ILE 79 -0.256 -10.963 -2.946 587 HG13 ILE 79 2HG1 ILE 79 -1.602 -12.106 -2.983 588 HG21 ILE 79 1HG2 ILE 79 -0.712 -9.507 0.265 589 HG22 ILE 79 2HG2 ILE 79 0.096 -9.391 -1.299 590 HG23 ILE 79 3HG2 ILE 79 -1.512 -8.675 -1.070 591 HD11 ILE 79 3HD1 ILE 79 -1.799 -10.302 -4.669 592 HD12 ILE 79 1HD1 ILE 79 -3.165 -10.315 -3.536 593 HD13 ILE 79 2HD1 ILE 79 -1.882 -9.095 -3.380 594 H PHE 80 H PHE 80 0.523 -11.723 1.696 595 HA PHE 80 HA PHE 80 3.064 -11.587 0.292 596 HB2 PHE 80 1HB PHE 80 2.615 -10.490 2.500 597 HB3 PHE 80 2HB PHE 80 2.414 -12.065 3.232 598 HD1 PHE 80 1HD PHE 80 5.019 -10.767 0.808 599 HD2 PHE 80 2HD PHE 80 4.212 -12.511 4.651 600 HE1 PHE 80 1HE PHE 80 7.464 -10.939 1.251 601 HE2 PHE 80 2HE PHE 80 6.638 -12.728 5.072 602 HZ PHE 80 HZ PHE 80 8.268 -11.920 3.368 603 H TYR 81 H TYR 81 1.377 -14.029 2.299 604 HA TYR 81 HA TYR 81 3.571 -15.853 2.128 605 HB2 TYR 81 1HB TYR 81 0.811 -16.552 3.134 606 HB3 TYR 81 2HB TYR 81 2.364 -17.202 3.636 607 HD1 TYR 81 1HD TYR 81 -0.029 -14.462 3.932 608 HD2 TYR 81 2HD TYR 81 3.825 -15.874 5.236 609 HE1 TYR 81 1HE TYR 81 0.118 -12.558 5.501 610 HE2 TYR 81 2HE TYR 81 3.930 -14.066 6.910 611 HH TYR 81 HH TYR 81 2.912 -12.007 7.670 612 H HIS 82 H HIS 82 0.827 -15.282 0.191 613 HA HIS 82 HA HIS 82 0.083 -17.689 -0.936 614 HB2 HIS 82 1HB HIS 82 -1.011 -15.482 -1.174 615 HB3 HIS 82 2HB HIS 82 0.311 -14.901 -2.158 616 HD1 HIS 82 1HD HIS 82 -2.840 -16.964 -2.327 617 HD2 HIS 82 2HD HIS 82 0.342 -15.682 -4.768 618 HE1 HIS 82 1HE HIS 82 -3.571 -17.329 -4.750 619 H ARG 83 H ARG 83 1.165 -19.143 -2.276 620 HA ARG 83 HA ARG 83 3.726 -18.336 -3.454 621 HB2 ARG 83 1HB ARG 83 3.297 -19.678 -0.857 622 HB3 ARG 83 2HB ARG 83 4.201 -20.714 -1.915 623 HG2 ARG 83 1HG ARG 83 5.003 -17.818 -1.579 624 HG3 ARG 83 2HG ARG 83 5.412 -19.042 -0.386 625 HD2 ARG 83 1HD ARG 83 7.291 -18.778 -1.847 626 HD3 ARG 83 2HD ARG 83 6.607 -20.384 -2.069 627 HE ARG 83 HE ARG 83 5.426 -19.411 -4.091 628 HH11 ARG 83 1HH1 ARG 83 8.729 -18.351 -3.095 629 HH12 ARG 83 2HH1 ARG 83 9.053 -17.662 -4.643 630 HH21 ARG 83 1HH2 ARG 83 6.089 -18.666 -6.195 631 HH22 ARG 83 2HH2 ARG 83 7.619 -17.862 -6.379 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -14.092 -17.622 -13.068 2 HA2 GLY 1 2HA GLY 1 -11.704 -17.364 -12.619 3 HA3 GLY 1 1HA GLY 1 -12.374 -15.888 -13.335 4 H ALA 2 H ALA 2 -12.326 -17.336 -10.010 5 HA ALA 2 HA ALA 2 -11.036 -14.932 -8.904 6 HB1 ALA 2 1HB ALA 2 -12.755 -14.800 -7.114 7 HB2 ALA 2 2HB ALA 2 -13.428 -14.407 -8.701 8 HB3 ALA 2 3HB ALA 2 -13.739 -16.004 -7.986 9 H ALA 3 H ALA 3 -9.523 -16.900 -9.262 10 HA ALA 3 HA ALA 3 -9.440 -18.546 -6.778 11 HB1 ALA 3 1HB ALA 3 -8.732 -19.489 -9.583 12 HB2 ALA 3 2HB ALA 3 -8.625 -20.418 -8.072 13 HB3 ALA 3 3HB ALA 3 -10.210 -19.926 -8.686 14 H GLY 4 H GLY 4 -8.266 -15.992 -7.126 15 HA2 GLY 4 2HA GLY 4 -5.441 -16.468 -6.789 16 HA3 GLY 4 1HA GLY 4 -5.834 -15.559 -8.272 17 H ILE 5 H ILE 5 -4.874 -13.745 -7.389 18 HA ILE 5 HA ILE 5 -4.878 -12.816 -4.900 19 HB ILE 5 HB ILE 5 -4.037 -10.725 -5.715 20 HG12 ILE 5 1HG1 ILE 5 -5.134 -11.402 -8.474 21 HG13 ILE 5 2HG1 ILE 5 -5.768 -10.169 -7.377 22 HG21 ILE 5 1HG2 ILE 5 -2.202 -11.492 -7.049 23 HG22 ILE 5 2HG2 ILE 5 -2.677 -12.850 -6.030 24 HG23 ILE 5 3HG2 ILE 5 -3.144 -12.810 -7.744 25 HD11 ILE 5 3HD1 ILE 5 -3.569 -8.984 -7.467 26 HD12 ILE 5 1HD1 ILE 5 -3.071 -10.125 -8.739 27 HD13 ILE 5 2HD1 ILE 5 -4.449 -9.049 -9.007 28 H ASP 6 H ASP 6 -7.615 -12.524 -6.871 29 HA ASP 6 HA ASP 6 -8.748 -10.076 -5.817 30 HB2 ASP 6 1HB ASP 6 -9.600 -11.942 -7.750 31 HB3 ASP 6 2HB ASP 6 -10.826 -12.024 -6.490 32 H GLN 7 H GLN 7 -8.566 -13.352 -4.559 33 HA GLN 7 HA GLN 7 -10.553 -13.170 -2.569 34 HB2 GLN 7 1HB GLN 7 -9.517 -15.086 -1.603 35 HB3 GLN 7 2HB GLN 7 -9.356 -15.214 -3.356 36 HG2 GLN 7 1HG GLN 7 -6.971 -14.218 -3.033 37 HG3 GLN 7 2HG GLN 7 -7.198 -14.554 -1.317 38 HE21 GLN 7 1HE2 GLN 7 -5.282 -15.798 -3.283 39 HE22 GLN 7 2HE2 GLN 7 -5.669 -17.498 -3.357 40 H TYR 8 H TYR 8 -7.439 -11.579 -2.717 41 HA TYR 8 HA TYR 8 -7.587 -10.866 0.181 42 HB2 TYR 8 1HB TYR 8 -5.321 -10.198 -1.704 43 HB3 TYR 8 2HB TYR 8 -5.302 -10.269 0.044 44 HD1 TYR 8 1HD TYR 8 -5.633 -12.641 1.129 45 HD2 TYR 8 2HD TYR 8 -4.539 -11.974 -2.967 46 HE1 TYR 8 1HE TYR 8 -4.693 -14.918 1.016 47 HE2 TYR 8 2HE TYR 8 -3.546 -14.266 -3.097 48 HH TYR 8 HH TYR 8 -3.460 -16.496 -0.301 49 H ALA 9 H ALA 9 -8.688 -9.719 -2.811 50 HA ALA 9 HA ALA 9 -7.653 -6.986 -2.629 51 HB1 ALA 9 1HB ALA 9 -8.005 -8.193 -4.823 52 HB2 ALA 9 2HB ALA 9 -9.747 -8.140 -4.535 53 HB3 ALA 9 3HB ALA 9 -8.824 -6.633 -4.710 54 H LEU 10 H LEU 10 -8.447 -6.062 -0.816 55 HA LEU 10 HA LEU 10 -11.278 -6.366 -0.063 56 HB2 LEU 10 1HB LEU 10 -9.053 -4.657 1.145 57 HB3 LEU 10 2HB LEU 10 -10.681 -4.836 1.790 58 HG LEU 10 HG LEU 10 -8.518 -6.961 1.622 59 HD11 LEU 10 1HD1 LEU 10 -10.154 -5.911 3.957 60 HD12 LEU 10 2HD1 LEU 10 -8.559 -5.310 3.500 61 HD13 LEU 10 3HD1 LEU 10 -8.738 -7.012 3.989 62 HD21 LEU 10 3HD2 LEU 10 -11.449 -7.312 2.378 63 HD22 LEU 10 1HD2 LEU 10 -10.162 -8.483 2.734 64 HD23 LEU 10 2HD2 LEU 10 -10.586 -8.154 1.059 65 H LYS 11 H LYS 11 -12.525 -4.408 0.337 66 HA LYS 11 HA LYS 11 -12.082 -2.487 -1.896 67 HB2 LYS 11 1HB LYS 11 -14.644 -3.501 -0.575 68 HB3 LYS 11 2HB LYS 11 -14.580 -2.312 -1.867 69 HG2 LYS 11 1HG LYS 11 -13.531 -4.039 -3.374 70 HG3 LYS 11 2HG LYS 11 -13.697 -5.210 -2.064 71 HD2 LYS 11 1HD LYS 11 -16.269 -4.241 -2.210 72 HD3 LYS 11 2HD LYS 11 -15.767 -4.123 -3.909 73 HE2 LYS 11 1HE LYS 11 -15.117 -6.506 -3.896 74 HE3 LYS 11 2HE LYS 11 -15.382 -6.589 -2.168 75 HZ1 LYS 11 3HZ LYS 11 -17.443 -6.393 -4.240 76 HZ2 LYS 11 1HZ LYS 11 -17.768 -6.121 -2.631 77 HZ3 LYS 11 2HZ LYS 11 -17.175 -7.575 -3.156 78 H GLU 12 H GLU 12 -12.567 -2.987 1.540 79 HA GLU 12 HA GLU 12 -11.728 -0.331 2.092 80 HB2 GLU 12 1HB GLU 12 -13.681 0.191 3.573 81 HB3 GLU 12 2HB GLU 12 -14.061 0.196 1.864 82 HG2 GLU 12 1HG GLU 12 -14.547 -2.469 3.012 83 HG3 GLU 12 2HG GLU 12 -15.312 -1.234 3.956 84 H PHE 13 H PHE 13 -11.340 -0.118 4.512 85 HA PHE 13 HA PHE 13 -11.322 -2.453 6.165 86 HB2 PHE 13 1HB PHE 13 -8.946 -2.677 6.468 87 HB3 PHE 13 2HB PHE 13 -9.289 -2.933 4.795 88 HD1 PHE 13 1HD PHE 13 -8.964 -0.803 3.193 89 HD2 PHE 13 2HD PHE 13 -7.147 -1.264 7.078 90 HE1 PHE 13 1HE PHE 13 -7.233 0.858 2.586 91 HE2 PHE 13 2HE PHE 13 -5.365 0.351 6.404 92 HZ PHE 13 HZ PHE 13 -5.438 1.439 4.202 93 H THR 14 H THR 14 -9.781 -1.697 8.217 94 HA THR 14 HA THR 14 -10.024 1.210 8.583 95 HB THR 14 HB THR 14 -10.744 -0.703 10.790 96 HG1 THR 14 1HG THR 14 -12.805 -0.566 10.288 97 HG21 THR 14 3HG2 THR 14 -11.720 1.135 11.924 98 HG22 THR 14 1HG2 THR 14 -11.513 2.198 10.528 99 HG23 THR 14 2HG2 THR 14 -10.088 1.615 11.421 100 H ALA 15 H ALA 15 -7.957 1.927 9.051 101 HA ALA 15 HA ALA 15 -6.243 0.287 10.839 102 HB1 ALA 15 1HB ALA 15 -5.315 -0.107 8.632 103 HB2 ALA 15 2HB ALA 15 -5.278 1.642 8.318 104 HB3 ALA 15 3HB ALA 15 -4.251 0.942 9.584 105 H ASP 16 H ASP 16 -4.868 1.687 12.158 106 HA ASP 16 HA ASP 16 -4.851 3.323 13.692 107 HB2 ASP 16 1HB ASP 16 -4.161 5.384 13.102 108 HB3 ASP 16 2HB ASP 16 -3.519 4.214 11.914 109 H PHE 17 H PHE 17 -7.281 2.402 13.061 110 HA PHE 17 HA PHE 17 -9.510 2.501 13.604 111 HB2 PHE 17 1HB PHE 17 -9.064 5.081 15.099 112 HB3 PHE 17 2HB PHE 17 -10.255 3.829 15.424 113 HD1 PHE 17 2HD PHE 17 -9.378 1.542 16.309 114 HD2 PHE 17 1HD PHE 17 -6.964 5.104 16.189 115 HE1 PHE 17 2HE PHE 17 -7.791 0.515 17.895 116 HE2 PHE 17 1HE PHE 17 -5.380 4.096 17.790 117 HZ PHE 17 HZ PHE 17 -5.765 1.806 18.655 118 H THR 18 H THR 18 -8.337 4.030 11.295 119 HA THR 18 HA THR 18 -10.446 6.010 10.658 120 HB THR 18 HB THR 18 -7.683 5.482 9.472 121 HG1 THR 18 1HG THR 18 -7.133 6.929 10.821 122 HG21 THR 18 3HG2 THR 18 -9.128 6.057 7.644 123 HG22 THR 18 1HG2 THR 18 -8.165 7.466 8.030 124 HG23 THR 18 2HG2 THR 18 -9.875 7.385 8.564 125 H GLN 19 H GLN 19 -11.946 5.227 9.323 126 HA GLN 19 HA GLN 19 -11.733 2.607 7.985 127 HB2 GLN 19 1HB GLN 19 -13.874 3.506 8.922 128 HB3 GLN 19 2HB GLN 19 -13.805 4.846 7.793 129 HG2 GLN 19 1HG GLN 19 -14.874 3.662 6.273 130 HG3 GLN 19 2HG GLN 19 -13.594 2.452 6.213 131 HE21 GLN 19 1HE2 GLN 19 -13.699 0.787 8.220 132 HE22 GLN 19 2HE2 GLN 19 -15.312 0.158 8.412 133 H PHE 20 H PHE 20 -11.322 2.365 5.739 134 HA PHE 20 HA PHE 20 -10.894 4.771 4.037 135 HB2 PHE 20 1HB PHE 20 -9.011 2.381 4.344 136 HB3 PHE 20 2HB PHE 20 -8.832 3.676 3.198 137 HD1 PHE 20 1HD PHE 20 -8.305 6.061 4.148 138 HD2 PHE 20 2HD PHE 20 -8.013 2.447 6.450 139 HE1 PHE 20 1HE PHE 20 -6.665 7.161 5.627 140 HE2 PHE 20 2HE PHE 20 -6.348 3.606 7.977 141 HZ PHE 20 HZ PHE 20 -5.677 5.900 7.549 142 H HIS 21 H HIS 21 -11.443 4.457 1.891 143 HA HIS 21 HA HIS 21 -12.161 1.662 1.125 144 HB2 HIS 21 1HB HIS 21 -13.708 3.987 0.062 145 HB3 HIS 21 2HB HIS 21 -14.124 2.288 0.214 146 HD1 HIS 21 1HD HIS 21 -13.800 5.400 2.413 147 HD2 HIS 21 2HD HIS 21 -15.683 1.641 2.274 148 HE1 HIS 21 1HE HIS 21 -15.369 5.308 4.436 149 H ILE 22 H ILE 22 -12.272 1.514 -1.370 150 HA ILE 22 HA ILE 22 -9.824 2.474 -2.518 151 HB ILE 22 HB ILE 22 -12.322 1.466 -3.939 152 HG12 ILE 22 1HG1 ILE 22 -11.544 -0.314 -2.567 153 HG13 ILE 22 2HG1 ILE 22 -11.061 -0.665 -4.207 154 HG21 ILE 22 1HG2 ILE 22 -10.979 2.701 -5.525 155 HG22 ILE 22 2HG2 ILE 22 -9.491 1.914 -4.969 156 HG23 ILE 22 3HG2 ILE 22 -10.733 0.982 -5.836 157 HD11 ILE 22 3HD1 ILE 22 -8.732 0.157 -3.635 158 HD12 ILE 22 1HD1 ILE 22 -9.268 0.317 -1.946 159 HD13 ILE 22 2HD1 ILE 22 -9.260 -1.271 -2.723 160 H GLY 23 H GLY 23 -9.360 4.513 -2.913 161 HA2 GLY 23 2HA GLY 23 -9.590 6.412 -4.256 162 HA3 GLY 23 1HA GLY 23 -11.339 6.288 -4.220 163 H ASP 24 H ASP 24 -10.402 5.864 -1.001 164 HA ASP 24 HA ASP 24 -10.696 8.731 -0.307 165 HB2 ASP 24 1HB ASP 24 -10.198 6.250 1.373 166 HB3 ASP 24 2HB ASP 24 -10.183 7.884 2.040 167 H THR 25 H THR 25 -8.643 9.193 1.623 168 HA THR 25 HA THR 25 -6.168 8.749 0.088 169 HB THR 25 HB THR 25 -5.848 11.009 1.437 170 HG1 THR 25 1HG THR 25 -8.545 11.248 0.634 171 HG21 THR 25 3HG2 THR 25 -7.102 10.910 -1.330 172 HG22 THR 25 1HG2 THR 25 -5.366 10.769 -0.951 173 HG23 THR 25 2HG2 THR 25 -6.211 12.296 -0.656 174 H VAL 26 H VAL 26 -4.379 8.301 1.339 175 HA VAL 26 HA VAL 26 -4.784 7.607 4.150 176 HB VAL 26 HB VAL 26 -2.456 7.015 4.137 177 HG11 VAL 26 1HG1 VAL 26 -4.193 5.531 3.083 178 HG12 VAL 26 2HG1 VAL 26 -3.643 6.139 1.501 179 HG13 VAL 26 3HG1 VAL 26 -2.534 5.235 2.571 180 HG21 VAL 26 3HG2 VAL 26 -1.481 8.831 2.748 181 HG22 VAL 26 1HG2 VAL 26 -0.925 7.211 2.332 182 HG23 VAL 26 2HG2 VAL 26 -2.124 8.026 1.302 183 HA PRO 27 HA PRO 27 -3.044 11.547 5.798 184 HB2 PRO 27 1HB PRO 27 -1.851 10.656 8.081 185 HB3 PRO 27 2HB PRO 27 -3.626 10.677 7.941 186 HG2 PRO 27 1HG PRO 27 -1.808 8.338 7.423 187 HG3 PRO 27 2HG PRO 27 -3.242 8.382 8.499 188 HD2 PRO 27 1HD PRO 27 -3.473 7.445 6.005 189 HD3 PRO 27 2HD PRO 27 -4.728 8.506 6.682 190 H ALA 28 H ALA 28 -0.920 12.474 6.095 191 HA ALA 28 HA ALA 28 1.036 11.409 4.384 192 HB1 ALA 28 1HB ALA 28 0.899 13.797 4.767 193 HB2 ALA 28 2HB ALA 28 1.271 13.577 6.494 194 HB3 ALA 28 3HB ALA 28 2.501 13.230 5.263 195 H MET 29 H MET 29 0.326 10.594 7.588 196 HA MET 29 HA MET 29 2.713 9.700 8.716 197 HB2 MET 29 1HB MET 29 0.030 8.274 8.806 198 HB3 MET 29 2HB MET 29 1.316 8.117 9.979 199 HG2 MET 29 1HG MET 29 0.261 10.902 9.601 200 HG3 MET 29 2HG MET 29 -0.867 9.701 10.227 201 HE1 MET 29 3HE MET 29 3.001 10.222 10.780 202 HE2 MET 29 1HE MET 29 2.423 11.859 11.162 203 HE3 MET 29 2HE MET 29 3.058 10.815 12.449 204 H TYR 30 H TYR 30 1.018 8.373 5.922 205 HA TYR 30 HA TYR 30 2.952 6.100 5.866 206 HB2 TYR 30 1HB TYR 30 0.246 6.233 4.558 207 HB3 TYR 30 2HB TYR 30 1.277 4.832 4.776 208 HD1 TYR 30 1HD TYR 30 1.974 4.647 7.560 209 HD2 TYR 30 2HD TYR 30 -1.656 6.190 5.849 210 HE1 TYR 30 1HE TYR 30 0.813 4.392 9.747 211 HE2 TYR 30 2HE TYR 30 -2.821 5.935 7.998 212 HH TYR 30 HH TYR 30 -2.689 5.198 10.085 213 H LEU 31 H LEU 31 2.204 9.045 4.312 214 HA LEU 31 HA LEU 31 3.153 8.249 1.645 215 HB2 LEU 31 1HB LEU 31 2.426 10.886 2.986 216 HB3 LEU 31 2HB LEU 31 3.187 10.840 1.401 217 HG LEU 31 HG LEU 31 0.800 9.043 1.750 218 HD11 LEU 31 1HD1 LEU 31 0.503 12.043 1.608 219 HD12 LEU 31 2HD1 LEU 31 -0.227 10.888 2.751 220 HD13 LEU 31 3HD1 LEU 31 -0.755 10.884 1.089 221 HD21 LEU 31 3HD2 LEU 31 0.512 9.600 -0.596 222 HD22 LEU 31 1HD2 LEU 31 2.216 9.247 -0.334 223 HD23 LEU 31 2HD2 LEU 31 1.682 10.934 -0.489 224 H THR 32 H THR 32 4.500 9.127 4.697 225 HA THR 32 HA THR 32 7.080 10.027 3.844 226 HB THR 32 HB THR 32 6.115 10.268 6.106 227 HG1 THR 32 1HG THR 32 7.952 9.477 7.288 228 HG21 THR 32 3HG2 THR 32 6.563 7.316 6.573 229 HG22 THR 32 1HG2 THR 32 4.982 8.000 6.209 230 HG23 THR 32 2HG2 THR 32 5.827 8.500 7.669 231 HA PRO 33 HA PRO 33 8.343 6.344 1.823 232 HB2 PRO 33 1HB PRO 33 11.091 6.490 1.926 233 HB3 PRO 33 2HB PRO 33 10.046 7.578 0.986 234 HG2 PRO 33 1HG PRO 33 11.223 8.041 3.735 235 HG3 PRO 33 2HG PRO 33 11.282 9.128 2.315 236 HD2 PRO 33 1HD PRO 33 9.410 9.448 4.230 237 HD3 PRO 33 2HD PRO 33 8.981 9.653 2.505 238 H GLU 34 H GLU 34 8.747 6.442 5.131 239 HA GLU 34 HA GLU 34 10.334 4.301 5.913 240 HB2 GLU 34 1HB GLU 34 7.808 5.583 6.935 241 HB3 GLU 34 2HB GLU 34 8.329 4.141 7.746 242 HG2 GLU 34 1HG GLU 34 9.965 6.703 7.417 243 HG3 GLU 34 2HG GLU 34 9.087 6.171 8.867 244 H TYR 35 H TYR 35 7.153 4.122 4.498 245 HA TYR 35 HA TYR 35 6.928 1.249 5.231 246 HB2 TYR 35 1HB TYR 35 4.723 3.225 4.538 247 HB3 TYR 35 2HB TYR 35 4.540 1.596 5.196 248 HD1 TYR 35 2HD TYR 35 5.527 1.100 7.555 249 HD2 TYR 35 1HD TYR 35 5.113 5.098 5.994 250 HE1 TYR 35 2HE TYR 35 5.884 2.040 9.831 251 HE2 TYR 35 1HE TYR 35 5.374 6.020 8.269 252 HH TYR 35 HH TYR 35 6.567 4.038 10.901 253 H ASN 36 H ASN 36 7.899 3.000 2.577 254 HA ASN 36 HA ASN 36 6.337 2.155 0.479 255 HB2 ASN 36 1HB ASN 36 8.031 4.000 0.600 256 HB3 ASN 36 2HB ASN 36 9.314 2.793 0.569 257 HD21 ASN 36 1HD2 ASN 36 8.384 5.092 -1.358 258 HD22 ASN 36 2HD2 ASN 36 8.323 4.258 -2.849 259 H ILE 37 H ILE 37 6.172 0.251 -0.595 260 HA ILE 37 HA ILE 37 8.319 -1.780 -0.268 261 HB ILE 37 HB ILE 37 5.464 -2.276 -1.099 262 HG12 ILE 37 1HG1 ILE 37 6.760 -2.946 1.602 263 HG13 ILE 37 2HG1 ILE 37 5.711 -1.548 1.393 264 HG21 ILE 37 1HG2 ILE 37 7.823 -4.111 -0.371 265 HG22 ILE 37 2HG2 ILE 37 6.188 -4.672 -0.727 266 HG23 ILE 37 3HG2 ILE 37 7.113 -3.895 -1.993 267 HD11 ILE 37 3HD1 ILE 37 4.344 -3.222 2.234 268 HD12 ILE 37 1HD1 ILE 37 3.901 -2.950 0.537 269 HD13 ILE 37 2HD1 ILE 37 4.871 -4.383 0.999 270 H LYS 38 H LYS 38 9.669 -0.814 -1.727 271 HA LYS 38 HA LYS 38 9.040 -0.715 -4.583 272 HB2 LYS 38 1HB LYS 38 11.748 -1.136 -3.235 273 HB3 LYS 38 2HB LYS 38 11.449 -0.753 -4.933 274 HG2 LYS 38 1HG LYS 38 10.124 1.329 -3.695 275 HG3 LYS 38 2HG LYS 38 11.357 1.000 -2.505 276 HD2 LYS 38 1HD LYS 38 12.855 2.143 -3.733 277 HD3 LYS 38 2HD LYS 38 12.713 1.017 -5.055 278 HE2 LYS 38 1HE LYS 38 11.074 3.534 -4.578 279 HE3 LYS 38 2HE LYS 38 12.277 3.273 -5.839 280 HZ1 LYS 38 3HZ LYS 38 10.126 3.087 -6.737 281 HZ2 LYS 38 1HZ LYS 38 9.610 2.029 -5.605 282 HZ3 LYS 38 2HZ LYS 38 10.712 1.542 -6.716 283 H GLN 39 H GLN 39 9.702 -3.235 -2.289 284 HA GLN 39 HA GLN 39 10.906 -5.054 -4.162 285 HB2 GLN 39 1HB GLN 39 10.107 -5.213 -1.227 286 HB3 GLN 39 2HB GLN 39 10.998 -6.485 -2.083 287 HG2 GLN 39 1HG GLN 39 12.884 -5.070 -2.493 288 HG3 GLN 39 2HG GLN 39 12.024 -3.610 -2.021 289 HE21 GLN 39 1HE2 GLN 39 12.449 -6.838 -0.351 290 HE22 GLN 39 2HE2 GLN 39 13.058 -6.064 1.113 291 H TRP 40 H TRP 40 8.205 -4.332 -4.957 292 HA TRP 40 HA TRP 40 6.288 -6.216 -3.992 293 HB2 TRP 40 1HB TRP 40 4.829 -5.123 -5.653 294 HB3 TRP 40 2HB TRP 40 5.598 -4.008 -4.526 295 HD1 TRP 40 HD TRP 40 7.057 -2.073 -5.631 296 HE1 TRP 40 1HE TRP 40 7.607 -1.370 -8.053 297 HE3 TRP 40 3HE TRP 40 5.003 -6.053 -8.109 298 HZ2 TRP 40 2HZ TRP 40 7.405 -2.547 -10.703 299 HZ3 TRP 40 3HZ TRP 40 5.307 -6.288 -10.541 300 HH2 TRP 40 HH TRP 40 6.555 -4.631 -11.830 301 H GLN 41 H GLN 41 8.346 -6.281 -6.950 302 HA GLN 41 HA GLN 41 6.581 -7.838 -8.494 303 HB2 GLN 41 1HB GLN 41 8.510 -6.497 -9.276 304 HB3 GLN 41 2HB GLN 41 9.601 -7.704 -8.615 305 HG2 GLN 41 1HG GLN 41 7.866 -9.158 -10.341 306 HG3 GLN 41 2HG GLN 41 8.106 -7.620 -11.162 307 HE21 GLN 41 1HE2 GLN 41 9.718 -10.632 -10.123 308 HE22 GLN 41 2HE2 GLN 41 11.327 -10.142 -10.561 309 H GLN 42 H GLN 42 9.208 -8.896 -6.351 310 HA GLN 42 HA GLN 42 9.054 -11.715 -6.812 311 HB2 GLN 42 1HB GLN 42 9.831 -9.978 -4.441 312 HB3 GLN 42 2HB GLN 42 9.920 -11.729 -4.346 313 HG2 GLN 42 1HG GLN 42 11.275 -10.456 -6.706 314 HG3 GLN 42 2HG GLN 42 11.980 -10.198 -5.113 315 HE21 GLN 42 1HE2 GLN 42 13.271 -11.890 -4.229 316 HE22 GLN 42 2HE2 GLN 42 13.179 -13.540 -4.825 317 H ARG 43 H ARG 43 6.587 -9.731 -5.654 318 HA ARG 43 HA ARG 43 5.350 -11.786 -3.889 319 HB2 ARG 43 1HB ARG 43 4.366 -8.933 -4.147 320 HB3 ARG 43 2HB ARG 43 4.200 -10.026 -2.793 321 HG2 ARG 43 1HG ARG 43 6.830 -8.677 -3.614 322 HG3 ARG 43 2HG ARG 43 5.727 -8.023 -2.454 323 HD2 ARG 43 1HD ARG 43 6.406 -9.418 -0.806 324 HD3 ARG 43 2HD ARG 43 6.409 -10.824 -1.864 325 HE ARG 43 HE ARG 43 8.594 -8.868 -2.187 326 HH11 ARG 43 1HH1 ARG 43 7.563 -12.081 -0.995 327 HH12 ARG 43 2HH1 ARG 43 9.135 -12.660 -0.694 328 HH21 ARG 43 1HH2 ARG 43 10.836 -9.740 -1.742 329 HH22 ARG 43 2HH2 ARG 43 10.917 -11.465 -1.510 330 H ASN 44 H ASN 44 3.068 -12.188 -4.402 331 HA ASN 44 HA ASN 44 2.497 -12.256 -7.212 332 HB2 ASN 44 1HB ASN 44 0.565 -12.687 -4.898 333 HB3 ASN 44 2HB ASN 44 0.357 -13.200 -6.567 334 HD21 ASN 44 1HD2 ASN 44 1.802 -14.053 -3.463 335 HD22 ASN 44 2HD2 ASN 44 2.565 -15.504 -4.068 336 H LEU 45 H LEU 45 2.606 -9.508 -5.507 337 HA LEU 45 HA LEU 45 -0.035 -8.380 -5.983 338 HB2 LEU 45 1HB LEU 45 2.590 -7.319 -4.862 339 HB3 LEU 45 2HB LEU 45 1.266 -6.233 -5.250 340 HG LEU 45 HG LEU 45 0.692 -8.669 -3.547 341 HD11 LEU 45 1HD1 LEU 45 1.124 -7.534 -1.513 342 HD12 LEU 45 2HD1 LEU 45 1.500 -6.023 -2.347 343 HD13 LEU 45 3HD1 LEU 45 2.609 -7.429 -2.465 344 HD21 LEU 45 3HD2 LEU 45 -0.506 -5.852 -3.698 345 HD22 LEU 45 1HD2 LEU 45 -1.059 -7.181 -2.668 346 HD23 LEU 45 2HD2 LEU 45 -1.210 -7.315 -4.416 347 HA PRO 46 HA PRO 46 0.971 -6.921 -10.023 348 HB2 PRO 46 1HB PRO 46 -0.773 -4.795 -10.293 349 HB3 PRO 46 2HB PRO 46 -1.287 -6.505 -10.338 350 HG2 PRO 46 1HG PRO 46 -1.352 -4.576 -8.041 351 HG3 PRO 46 2HG PRO 46 -2.630 -5.694 -8.569 352 HD2 PRO 46 1HD PRO 46 -0.949 -6.239 -6.496 353 HD3 PRO 46 2HD PRO 46 -1.526 -7.537 -7.598 354 H ALA 47 H ALA 47 1.721 -5.047 -11.221 355 HA ALA 47 HA ALA 47 3.733 -3.508 -9.880 356 HB1 ALA 47 1HB ALA 47 3.827 -4.136 -12.301 357 HB2 ALA 47 2HB ALA 47 2.465 -3.029 -12.615 358 HB3 ALA 47 3HB ALA 47 4.016 -2.394 -12.058 359 HA PRO 48 HA PRO 48 1.221 -0.094 -8.464 360 HB2 PRO 48 1HB PRO 48 3.028 1.968 -8.369 361 HB3 PRO 48 2HB PRO 48 3.117 0.559 -7.274 362 HG2 PRO 48 1HG PRO 48 4.614 0.988 -9.879 363 HG3 PRO 48 2HG PRO 48 5.294 0.539 -8.279 364 HD2 PRO 48 1HD PRO 48 4.727 -1.328 -10.161 365 HD3 PRO 48 2HD PRO 48 4.408 -1.657 -8.432 366 H ASP 49 H ASP 49 0.642 2.260 -9.099 367 HA ASP 49 HA ASP 49 0.358 2.583 -12.007 368 HB2 ASP 49 1HB ASP 49 -0.799 3.894 -9.605 369 HB3 ASP 49 2HB ASP 49 -0.388 4.995 -10.863 370 H ALA 50 H ALA 50 0.906 4.778 -12.746 371 HA ALA 50 HA ALA 50 3.752 4.857 -12.821 372 HB1 ALA 50 1HB ALA 50 3.234 6.124 -14.820 373 HB2 ALA 50 2HB ALA 50 1.986 4.874 -14.653 374 HB3 ALA 50 3HB ALA 50 1.605 6.531 -14.167 375 H GLY 51 H GLY 51 3.003 5.746 -10.333 376 HA2 GLY 51 2HA GLY 51 4.454 8.009 -9.688 377 HA3 GLY 51 1HA GLY 51 2.853 8.656 -10.080 378 H SER 52 H SER 52 3.761 5.518 -8.445 379 HA SER 52 HA SER 52 2.423 6.344 -5.995 380 HB2 SER 52 1HB SER 52 0.683 4.561 -6.193 381 HB3 SER 52 2HB SER 52 0.517 5.760 -7.482 382 HG SER 52 HG SER 52 1.950 4.150 -8.675 383 H HIS 53 H HIS 53 2.456 4.464 -4.394 384 HA HIS 53 HA HIS 53 4.193 2.273 -5.163 385 HB2 HIS 53 1HB HIS 53 5.668 2.471 -3.281 386 HB3 HIS 53 2HB HIS 53 5.913 3.796 -4.431 387 HD1 HIS 53 1HD HIS 53 5.599 6.328 -3.407 388 HD2 HIS 53 2HD HIS 53 4.765 3.097 -0.840 389 HE1 HIS 53 1HE HIS 53 5.342 7.285 -1.117 390 H TRP 54 H TRP 54 4.136 0.526 -3.709 391 HA TRP 54 HA TRP 54 1.605 0.203 -2.298 392 HB2 TRP 54 1HB TRP 54 4.031 -1.561 -2.846 393 HB3 TRP 54 2HB TRP 54 2.664 -2.071 -1.866 394 HD1 TRP 54 HD TRP 54 3.742 -1.880 -5.463 395 HE1 TRP 54 1HE TRP 54 1.820 -2.816 -6.957 396 HE3 TRP 54 3HE TRP 54 -0.022 -2.076 -2.014 397 HZ2 TRP 54 2HZ TRP 54 -1.038 -2.960 -6.804 398 HZ3 TRP 54 3HZ TRP 54 -2.341 -2.653 -2.707 399 HH2 TRP 54 HH TRP 54 -2.852 -3.069 -5.083 400 H THR 55 H THR 55 1.433 0.035 -0.027 401 HA THR 55 HA THR 55 3.833 0.592 1.596 402 HB THR 55 HB THR 55 2.264 2.047 3.013 403 HG1 THR 55 1HG THR 55 0.760 1.802 0.604 404 HG21 THR 55 3HG2 THR 55 2.806 3.102 0.240 405 HG22 THR 55 1HG2 THR 55 4.044 2.940 1.515 406 HG23 THR 55 2HG2 THR 55 2.668 4.025 1.758 407 H TYR 56 H TYR 56 3.453 0.056 3.935 408 HA TYR 56 HA TYR 56 1.891 -2.429 4.039 409 HB2 TYR 56 1HB TYR 56 4.424 -2.454 4.275 410 HB3 TYR 56 2HB TYR 56 4.230 -1.579 5.786 411 HD1 TYR 56 1HD TYR 56 2.231 -4.407 4.304 412 HD2 TYR 56 2HD TYR 56 4.913 -3.156 7.414 413 HE1 TYR 56 1HE TYR 56 1.724 -6.477 5.525 414 HE2 TYR 56 2HE TYR 56 4.528 -5.294 8.622 415 HH TYR 56 HH TYR 56 2.171 -7.767 7.449 416 H MET 57 H MET 57 -0.006 -1.114 4.386 417 HA MET 57 HA MET 57 -0.210 0.574 6.788 418 HB2 MET 57 1HB MET 57 -1.547 0.440 4.285 419 HB3 MET 57 2HB MET 57 -2.779 0.081 5.458 420 HG2 MET 57 1HG MET 57 -0.969 2.506 5.694 421 HG3 MET 57 2HG MET 57 -2.462 2.481 4.772 422 HE1 MET 57 3HE MET 57 -2.283 2.546 9.352 423 HE2 MET 57 1HE MET 57 -1.977 0.983 8.614 424 HE3 MET 57 2HE MET 57 -0.880 2.348 8.282 425 H GLY 58 H GLY 58 -0.169 -0.673 8.615 426 HA2 GLY 58 2HA GLY 58 -1.314 -1.763 10.307 427 HA3 GLY 58 1HA GLY 58 -2.702 -1.791 9.228 428 H GLY 59 H GLY 59 -0.028 -3.413 7.762 429 HA2 GLY 59 2HA GLY 59 0.530 -5.774 8.043 430 HA3 GLY 59 1HA GLY 59 -1.104 -6.058 8.608 431 H ASN 60 H ASN 60 -1.619 -3.794 6.178 432 HA ASN 60 HA ASN 60 -2.194 -5.913 4.239 433 HB2 ASN 60 1HB ASN 60 -3.452 -3.163 4.502 434 HB3 ASN 60 2HB ASN 60 -4.104 -4.605 3.708 435 HD21 ASN 60 1HD2 ASN 60 -4.816 -2.688 6.223 436 HD22 ASN 60 2HD2 ASN 60 -5.466 -3.900 7.321 437 H TYR 61 H TYR 61 -2.177 -5.029 1.955 438 HA TYR 61 HA TYR 61 0.196 -3.278 1.569 439 HB2 TYR 61 1HB TYR 61 -0.910 -5.558 -0.107 440 HB3 TYR 61 2HB TYR 61 0.410 -4.505 -0.589 441 HD1 TYR 61 2HD TYR 61 2.209 -4.174 1.468 442 HD2 TYR 61 1HD TYR 61 -0.245 -7.652 0.844 443 HE1 TYR 61 2HE TYR 61 3.843 -5.549 2.726 444 HE2 TYR 61 1HE TYR 61 1.407 -9.031 2.017 445 HH TYR 61 HH TYR 61 3.268 -8.829 3.692 446 H VAL 62 H VAL 62 -0.444 -1.209 0.992 447 HA VAL 62 HA VAL 62 -2.906 -1.035 -0.682 448 HB VAL 62 HB VAL 62 -3.788 0.625 0.630 449 HG11 VAL 62 1HG1 VAL 62 -4.180 -0.357 2.751 450 HG12 VAL 62 2HG1 VAL 62 -3.908 -1.679 1.606 451 HG13 VAL 62 3HG1 VAL 62 -2.631 -1.214 2.736 452 HG21 VAL 62 3HG2 VAL 62 -2.706 1.676 2.586 453 HG22 VAL 62 1HG2 VAL 62 -1.203 0.789 2.196 454 HG23 VAL 62 2HG2 VAL 62 -1.840 2.024 1.094 455 H LEU 63 H LEU 63 -2.856 0.323 -2.340 456 HA LEU 63 HA LEU 63 -0.140 1.313 -3.125 457 HB2 LEU 63 1HB LEU 63 -1.376 -0.196 -4.668 458 HB3 LEU 63 2HB LEU 63 -2.688 0.961 -4.757 459 HG LEU 63 HG LEU 63 -1.153 2.624 -5.795 460 HD11 LEU 63 1HD1 LEU 63 1.087 1.776 -6.646 461 HD12 LEU 63 2HD1 LEU 63 0.946 0.438 -5.487 462 HD13 LEU 63 3HD1 LEU 63 0.995 2.127 -4.943 463 HD21 LEU 63 3HD2 LEU 63 -1.087 -0.106 -7.182 464 HD22 LEU 63 1HD2 LEU 63 -0.966 1.488 -7.967 465 HD23 LEU 63 2HD2 LEU 63 -2.470 1.001 -7.188 466 H ILE 64 H ILE 64 0.292 3.464 -2.747 467 HA ILE 64 HA ILE 64 -1.996 5.371 -2.760 468 HB ILE 64 HB ILE 64 -0.719 6.693 -1.162 469 HG12 ILE 64 1HG1 ILE 64 1.153 4.347 -0.730 470 HG13 ILE 64 2HG1 ILE 64 1.591 5.742 -1.709 471 HG21 ILE 64 1HG2 ILE 64 -1.216 5.327 0.788 472 HG22 ILE 64 2HG2 ILE 64 -2.474 5.158 -0.433 473 HG23 ILE 64 3HG2 ILE 64 -1.246 3.866 -0.195 474 HD11 ILE 64 3HD1 ILE 64 0.920 5.795 1.250 475 HD12 ILE 64 1HD1 ILE 64 2.471 6.150 0.460 476 HD13 ILE 64 2HD1 ILE 64 1.094 7.237 0.221 477 H THR 65 H THR 65 -1.714 7.370 -3.921 478 HA THR 65 HA THR 65 0.504 7.379 -5.833 479 HB THR 65 HB THR 65 -0.431 9.839 -6.078 480 HG1 THR 65 1HG THR 65 -2.550 9.977 -5.699 481 HG21 THR 65 3HG2 THR 65 -0.473 8.187 -7.829 482 HG22 THR 65 1HG2 THR 65 -2.047 8.965 -7.753 483 HG23 THR 65 2HG2 THR 65 -1.851 7.350 -7.056 484 H ASP 66 H ASP 66 2.317 8.650 -5.703 485 HA ASP 66 HA ASP 66 3.208 9.345 -3.001 486 HB2 ASP 66 1HB ASP 66 4.288 8.524 -5.402 487 HB3 ASP 66 2HB ASP 66 4.855 10.166 -5.339 488 H THR 67 H THR 67 1.180 10.873 -4.760 489 HA THR 67 HA THR 67 2.112 13.670 -4.359 490 HB THR 67 HB THR 67 2.938 12.623 -6.463 491 HG1 THR 67 1HG THR 67 1.273 14.770 -7.128 492 HG21 THR 67 3HG2 THR 67 1.047 11.216 -7.142 493 HG22 THR 67 1HG2 THR 67 1.503 12.355 -8.413 494 HG23 THR 67 2HG2 THR 67 0.062 12.664 -7.423 495 H GLU 68 H GLU 68 -0.038 11.856 -3.277 496 HA GLU 68 HA GLU 68 -2.034 13.733 -2.807 497 HB2 GLU 68 1HB GLU 68 -2.790 13.237 -5.133 498 HB3 GLU 68 2HB GLU 68 -2.912 11.532 -4.733 499 HG2 GLU 68 1HG GLU 68 -4.799 11.774 -3.527 500 HG3 GLU 68 2HG GLU 68 -4.449 13.467 -3.091 501 H GLY 69 H GLY 69 -1.372 10.210 -3.256 502 HA2 GLY 69 2HA GLY 69 -1.331 8.551 -1.728 503 HA3 GLY 69 1HA GLY 69 -1.839 9.644 -0.447 504 H LYS 70 H LYS 70 -3.608 9.314 -3.538 505 HA LYS 70 HA LYS 70 -6.022 8.548 -2.148 506 HB2 LYS 70 1HB LYS 70 -5.257 9.084 -4.974 507 HB3 LYS 70 2HB LYS 70 -6.339 7.721 -4.764 508 HG2 LYS 70 1HG LYS 70 -7.652 9.464 -3.163 509 HG3 LYS 70 2HG LYS 70 -6.857 10.623 -4.221 510 HD2 LYS 70 1HD LYS 70 -8.781 8.377 -4.935 511 HD3 LYS 70 2HD LYS 70 -9.066 10.107 -5.097 512 HE2 LYS 70 1HE LYS 70 -7.028 8.458 -6.672 513 HE3 LYS 70 2HE LYS 70 -8.620 8.931 -7.266 514 HZ1 LYS 70 3HZ LYS 70 -6.711 11.008 -6.360 515 HZ2 LYS 70 1HZ LYS 70 -7.975 11.139 -7.396 516 HZ3 LYS 70 2HZ LYS 70 -6.580 10.360 -7.838 517 H ILE 71 H ILE 71 -6.800 6.609 -1.822 518 HA ILE 71 HA ILE 71 -5.005 4.368 -1.763 519 HB ILE 71 HB ILE 71 -7.893 4.823 -0.886 520 HG12 ILE 71 1HG1 ILE 71 -5.233 4.662 0.621 521 HG13 ILE 71 2HG1 ILE 71 -6.093 6.153 0.263 522 HG21 ILE 71 1HG2 ILE 71 -6.120 2.410 -0.240 523 HG22 ILE 71 2HG2 ILE 71 -7.727 2.743 0.422 524 HG23 ILE 71 3HG2 ILE 71 -7.552 2.384 -1.286 525 HD11 ILE 71 3HD1 ILE 71 -8.023 5.266 1.632 526 HD12 ILE 71 1HD1 ILE 71 -6.891 3.992 2.189 527 HD13 ILE 71 2HD1 ILE 71 -6.536 5.700 2.495 528 H LEU 72 H LEU 72 -4.566 4.070 -3.923 529 HA LEU 72 HA LEU 72 -6.562 3.859 -5.946 530 HB2 LEU 72 1HB LEU 72 -3.769 2.643 -5.956 531 HB3 LEU 72 2HB LEU 72 -4.815 2.878 -7.348 532 HG LEU 72 HG LEU 72 -3.334 4.981 -5.737 533 HD11 LEU 72 1HD1 LEU 72 -2.079 3.798 -7.491 534 HD12 LEU 72 2HD1 LEU 72 -2.363 5.461 -7.993 535 HD13 LEU 72 3HD1 LEU 72 -3.345 4.161 -8.680 536 HD21 LEU 72 3HD2 LEU 72 -5.540 5.956 -6.191 537 HD22 LEU 72 1HD2 LEU 72 -5.442 5.470 -7.893 538 HD23 LEU 72 2HD2 LEU 72 -4.330 6.699 -7.235 539 H LYS 73 H LYS 73 -4.913 1.359 -3.934 540 HA LYS 73 HA LYS 73 -6.971 -0.627 -4.605 541 HB2 LYS 73 1HB LYS 73 -4.011 -1.108 -5.110 542 HB3 LYS 73 2HB LYS 73 -5.301 -2.305 -5.257 543 HG2 LYS 73 1HG LYS 73 -6.275 -0.936 -7.149 544 HG3 LYS 73 2HG LYS 73 -4.905 0.161 -6.982 545 HD2 LYS 73 1HD LYS 73 -3.867 -1.102 -8.481 546 HD3 LYS 73 2HD LYS 73 -3.567 -2.244 -7.178 547 HE2 LYS 73 1HE LYS 73 -5.754 -2.266 -9.273 548 HE3 LYS 73 2HE LYS 73 -4.437 -3.437 -9.086 549 HZ1 LYS 73 3HZ LYS 73 -5.545 -4.298 -7.138 550 HZ2 LYS 73 1HZ LYS 73 -6.604 -4.209 -8.363 551 HZ3 LYS 73 2HZ LYS 73 -6.707 -3.106 -7.173 552 H VAL 74 H VAL 74 -6.807 -2.487 -3.080 553 HA VAL 74 HA VAL 74 -4.787 -2.327 -0.954 554 HB VAL 74 HB VAL 74 -7.787 -2.668 -0.580 555 HG11 VAL 74 1HG1 VAL 74 -5.575 -2.949 1.532 556 HG12 VAL 74 2HG1 VAL 74 -7.310 -2.851 1.845 557 HG13 VAL 74 3HG1 VAL 74 -6.657 -4.218 0.949 558 HG21 VAL 74 3HG2 VAL 74 -5.919 -0.516 0.482 559 HG22 VAL 74 1HG2 VAL 74 -7.176 -0.295 -0.751 560 HG23 VAL 74 2HG2 VAL 74 -7.631 -0.708 0.891 561 H TYR 75 H TYR 75 -4.076 -4.368 -0.411 562 HA TYR 75 HA TYR 75 -5.726 -6.703 -1.111 563 HB2 TYR 75 1HB TYR 75 -2.770 -6.425 -1.638 564 HB3 TYR 75 2HB TYR 75 -3.592 -7.979 -1.549 565 HD1 TYR 75 2HD TYR 75 -5.308 -8.633 -3.251 566 HD2 TYR 75 1HD TYR 75 -2.992 -5.032 -3.610 567 HE1 TYR 75 2HE TYR 75 -5.985 -8.467 -5.579 568 HE2 TYR 75 1HE TYR 75 -3.655 -4.855 -6.012 569 HH TYR 75 HH TYR 75 -6.004 -7.086 -7.488 570 H ASP 76 H ASP 76 -5.648 -8.205 0.682 571 HA ASP 76 HA ASP 76 -4.472 -7.315 3.147 572 HB2 ASP 76 1HB ASP 76 -6.466 -8.873 2.972 573 HB3 ASP 76 2HB ASP 76 -5.351 -10.162 2.508 574 H GLY 77 H GLY 77 -2.889 -8.416 4.453 575 HA2 GLY 77 2HA GLY 77 -0.360 -8.596 3.229 576 HA3 GLY 77 1HA GLY 77 -0.776 -9.082 4.851 577 H GLU 78 H GLU 78 -2.828 -11.088 3.837 578 HA GLU 78 HA GLU 78 -1.252 -13.372 3.889 579 HB2 GLU 78 1HB GLU 78 -4.043 -12.835 2.855 580 HB3 GLU 78 2HB GLU 78 -3.280 -14.404 2.620 581 HG2 GLU 78 1HG GLU 78 -2.795 -14.111 5.274 582 HG3 GLU 78 2HG GLU 78 -4.261 -13.152 5.146 583 H ILE 79 H ILE 79 -1.864 -11.349 1.060 584 HA ILE 79 HA ILE 79 -1.341 -13.283 -0.952 585 HB ILE 79 HB ILE 79 -2.441 -11.032 -1.183 586 HG12 ILE 79 1HG1 ILE 79 -0.150 -11.425 -3.125 587 HG13 ILE 79 2HG1 ILE 79 -1.577 -12.456 -3.109 588 HG21 ILE 79 1HG2 ILE 79 -0.554 -9.806 0.096 589 HG22 ILE 79 2HG2 ILE 79 0.355 -9.849 -1.418 590 HG23 ILE 79 3HG2 ILE 79 -1.218 -9.014 -1.325 591 HD11 ILE 79 3HD1 ILE 79 -1.744 -10.714 -4.828 592 HD12 ILE 79 1HD1 ILE 79 -3.012 -10.507 -3.597 593 HD13 ILE 79 2HD1 ILE 79 -1.592 -9.455 -3.599 594 H PHE 80 H PHE 80 0.816 -11.749 1.274 595 HA PHE 80 HA PHE 80 3.253 -11.756 -0.239 596 HB2 PHE 80 1HB PHE 80 2.851 -10.562 1.912 597 HB3 PHE 80 2HB PHE 80 2.755 -12.094 2.751 598 HD1 PHE 80 2HD PHE 80 4.980 -9.727 0.972 599 HD2 PHE 80 1HD PHE 80 4.781 -13.323 3.332 600 HE1 PHE 80 2HE PHE 80 7.435 -9.637 1.330 601 HE2 PHE 80 1HE PHE 80 7.218 -13.194 3.747 602 HZ PHE 80 HZ PHE 80 8.559 -11.346 2.760 603 H TYR 81 H TYR 81 1.606 -14.214 1.802 604 HA TYR 81 HA TYR 81 3.887 -16.017 1.651 605 HB2 TYR 81 1HB TYR 81 1.139 -16.464 2.862 606 HB3 TYR 81 2HB TYR 81 2.622 -17.363 3.220 607 HD1 TYR 81 1HD TYR 81 0.784 -14.188 3.726 608 HD2 TYR 81 2HD TYR 81 4.403 -16.334 4.613 609 HE1 TYR 81 1HE TYR 81 1.465 -12.367 5.226 610 HE2 TYR 81 2HE TYR 81 5.080 -14.542 6.194 611 HH TYR 81 HH TYR 81 4.527 -12.486 7.118 612 H HIS 82 H HIS 82 1.123 -15.468 -0.263 613 HA HIS 82 HA HIS 82 0.184 -17.969 -1.048 614 HB2 HIS 82 1HB HIS 82 -0.933 -15.779 -1.302 615 HB3 HIS 82 2HB HIS 82 0.308 -15.245 -2.400 616 HD1 HIS 82 1HD HIS 82 -2.001 -18.411 -2.565 617 HD2 HIS 82 2HD HIS 82 -0.768 -14.983 -4.699 618 HE1 HIS 82 1HE HIS 82 -3.115 -18.526 -4.835 619 H ARG 83 H ARG 83 0.572 -19.154 -3.045 620 HA ARG 83 HA ARG 83 2.822 -18.485 -4.644 621 HB2 ARG 83 1HB ARG 83 2.713 -21.200 -3.202 622 HB3 ARG 83 2HB ARG 83 3.742 -20.812 -4.567 623 HG2 ARG 83 1HG ARG 83 4.663 -18.881 -3.086 624 HG3 ARG 83 2HG ARG 83 3.938 -19.744 -1.731 625 HD2 ARG 83 1HD ARG 83 5.613 -21.416 -3.566 626 HD3 ARG 83 2HD ARG 83 6.468 -20.092 -2.771 627 HE ARG 83 HE ARG 83 4.908 -21.682 -0.919 628 HH11 ARG 83 1HH1 ARG 83 8.094 -21.261 -2.472 629 HH12 ARG 83 2HH1 ARG 83 8.863 -22.472 -1.503 630 HH21 ARG 83 1HH2 ARG 83 5.993 -23.355 0.328 631 HH22 ARG 83 2HH2 ARG 83 7.702 -23.608 0.062 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -12.944 -15.913 -10.815 2 HA2 GLY 1 2HA GLY 1 -10.663 -15.107 -11.427 3 HA3 GLY 1 1HA GLY 1 -11.074 -13.631 -10.541 4 H ALA 2 H ALA 2 -10.103 -17.021 -10.219 5 HA ALA 2 HA ALA 2 -9.611 -16.546 -7.372 6 HB1 ALA 2 1HB ALA 2 -11.792 -17.731 -7.398 7 HB2 ALA 2 2HB ALA 2 -11.033 -19.060 -8.317 8 HB3 ALA 2 3HB ALA 2 -10.514 -18.695 -6.663 9 H ALA 3 H ALA 3 -8.447 -18.815 -6.652 10 HA ALA 3 HA ALA 3 -6.378 -19.552 -6.476 11 HB1 ALA 3 1HB ALA 3 -7.333 -21.206 -8.060 12 HB2 ALA 3 2HB ALA 3 -6.595 -20.289 -9.404 13 HB3 ALA 3 3HB ALA 3 -5.577 -21.047 -8.151 14 H GLY 4 H GLY 4 -6.636 -16.772 -6.937 15 HA2 GLY 4 2HA GLY 4 -3.887 -16.088 -7.620 16 HA3 GLY 4 1HA GLY 4 -5.124 -15.356 -8.648 17 H ILE 5 H ILE 5 -4.606 -13.242 -7.790 18 HA ILE 5 HA ILE 5 -4.360 -12.900 -4.953 19 HB ILE 5 HB ILE 5 -3.780 -10.609 -5.508 20 HG12 ILE 5 1HG1 ILE 5 -4.780 -11.151 -8.325 21 HG13 ILE 5 2HG1 ILE 5 -5.539 -10.089 -7.142 22 HG21 ILE 5 1HG2 ILE 5 -1.841 -11.043 -6.877 23 HG22 ILE 5 2HG2 ILE 5 -2.181 -12.542 -6.005 24 HG23 ILE 5 3HG2 ILE 5 -2.635 -12.379 -7.715 25 HD11 ILE 5 3HD1 ILE 5 -3.389 -8.730 -7.103 26 HD12 ILE 5 1HD1 ILE 5 -2.857 -9.686 -8.505 27 HD13 ILE 5 2HD1 ILE 5 -4.301 -8.682 -8.628 28 H ASP 6 H ASP 6 -7.145 -12.846 -6.880 29 HA ASP 6 HA ASP 6 -8.539 -10.619 -6.103 30 HB2 ASP 6 1HB ASP 6 -8.976 -12.753 -7.656 31 HB3 ASP 6 2HB ASP 6 -10.112 -13.153 -6.380 32 H GLN 7 H GLN 7 -8.243 -13.702 -4.344 33 HA GLN 7 HA GLN 7 -10.241 -13.408 -2.422 34 HB2 GLN 7 1HB GLN 7 -8.953 -15.066 -1.205 35 HB3 GLN 7 2HB GLN 7 -8.869 -15.401 -2.939 36 HG2 GLN 7 1HG GLN 7 -6.599 -14.204 -2.958 37 HG3 GLN 7 2HG GLN 7 -6.683 -14.224 -1.196 38 HE21 GLN 7 1HE2 GLN 7 -5.514 -15.919 -3.862 39 HE22 GLN 7 2HE2 GLN 7 -5.526 -17.534 -3.179 40 H TYR 8 H TYR 8 -7.061 -11.845 -2.626 41 HA TYR 8 HA TYR 8 -7.250 -10.822 0.125 42 HB2 TYR 8 1HB TYR 8 -5.102 -10.400 -1.978 43 HB3 TYR 8 2HB TYR 8 -4.983 -10.077 -0.260 44 HD1 TYR 8 1HD TYR 8 -5.454 -12.240 1.305 45 HD2 TYR 8 2HD TYR 8 -4.186 -12.386 -2.808 46 HE1 TYR 8 1HE TYR 8 -4.451 -14.456 1.697 47 HE2 TYR 8 2HE TYR 8 -3.151 -14.598 -2.426 48 HH TYR 8 HH TYR 8 -2.560 -15.719 0.801 49 H ALA 9 H ALA 9 -8.573 -9.865 -2.894 50 HA ALA 9 HA ALA 9 -7.797 -7.075 -2.819 51 HB1 ALA 9 1HB ALA 9 -8.466 -8.255 -4.906 52 HB2 ALA 9 2HB ALA 9 -10.120 -8.401 -4.276 53 HB3 ALA 9 3HB ALA 9 -9.435 -6.792 -4.594 54 H LEU 10 H LEU 10 -8.235 -6.183 -0.850 55 HA LEU 10 HA LEU 10 -10.867 -6.484 0.437 56 HB2 LEU 10 1HB LEU 10 -8.435 -4.767 1.108 57 HB3 LEU 10 2HB LEU 10 -9.896 -4.840 2.078 58 HG LEU 10 HG LEU 10 -8.070 -7.221 1.559 59 HD11 LEU 10 1HD1 LEU 10 -7.362 -6.897 3.908 60 HD12 LEU 10 2HD1 LEU 10 -8.352 -5.425 4.010 61 HD13 LEU 10 3HD1 LEU 10 -6.961 -5.498 2.913 62 HD21 LEU 10 3HD2 LEU 10 -10.359 -7.956 2.033 63 HD22 LEU 10 1HD2 LEU 10 -10.457 -6.864 3.436 64 HD23 LEU 10 2HD2 LEU 10 -9.342 -8.250 3.434 65 H LYS 11 H LYS 11 -12.547 -5.008 0.121 66 HA LYS 11 HA LYS 11 -12.047 -2.805 -1.820 67 HB2 LYS 11 1HB LYS 11 -14.409 -2.539 -1.970 68 HB3 LYS 11 2HB LYS 11 -13.947 -4.226 -2.246 69 HG2 LYS 11 1HG LYS 11 -15.201 -4.957 -0.581 70 HG3 LYS 11 2HG LYS 11 -14.485 -3.860 0.571 71 HD2 LYS 11 1HD LYS 11 -16.817 -3.423 0.603 72 HD3 LYS 11 2HD LYS 11 -16.019 -2.035 -0.152 73 HE2 LYS 11 1HE LYS 11 -16.554 -3.020 -2.404 74 HE3 LYS 11 2HE LYS 11 -17.413 -4.342 -1.586 75 HZ1 LYS 11 3HZ LYS 11 -18.119 -1.479 -1.501 76 HZ2 LYS 11 1HZ LYS 11 -18.891 -2.653 -0.642 77 HZ3 LYS 11 2HZ LYS 11 -18.943 -2.652 -2.287 78 H GLU 12 H GLU 12 -12.278 -3.263 1.597 79 HA GLU 12 HA GLU 12 -11.877 -0.462 2.056 80 HB2 GLU 12 1HB GLU 12 -13.695 -0.256 3.724 81 HB3 GLU 12 2HB GLU 12 -14.323 -0.543 2.110 82 HG2 GLU 12 1HG GLU 12 -14.529 -3.019 2.779 83 HG3 GLU 12 2HG GLU 12 -14.149 -2.517 4.421 84 H PHE 13 H PHE 13 -11.297 -0.231 4.416 85 HA PHE 13 HA PHE 13 -10.913 -2.547 6.012 86 HB2 PHE 13 1HB PHE 13 -8.552 -2.472 6.385 87 HB3 PHE 13 2HB PHE 13 -8.817 -2.824 4.718 88 HD1 PHE 13 1HD PHE 13 -8.893 -0.449 3.171 89 HD2 PHE 13 2HD PHE 13 -6.679 -1.178 6.805 90 HE1 PHE 13 1HE PHE 13 -7.247 1.265 2.516 91 HE2 PHE 13 2HE PHE 13 -4.972 0.483 6.078 92 HZ PHE 13 HZ PHE 13 -5.306 1.750 3.974 93 H THR 14 H THR 14 -9.730 -1.723 8.104 94 HA THR 14 HA THR 14 -10.064 1.153 8.550 95 HB THR 14 HB THR 14 -10.842 -0.847 10.675 96 HG1 THR 14 1HG THR 14 -12.205 -1.166 8.908 97 HG21 THR 14 3HG2 THR 14 -12.050 0.965 11.696 98 HG22 THR 14 1HG2 THR 14 -11.733 2.025 10.322 99 HG23 THR 14 2HG2 THR 14 -10.390 1.498 11.367 100 H ALA 15 H ALA 15 -8.160 1.894 9.458 101 HA ALA 15 HA ALA 15 -6.417 0.079 10.953 102 HB1 ALA 15 1HB ALA 15 -5.549 -0.303 8.726 103 HB2 ALA 15 2HB ALA 15 -5.621 1.424 8.345 104 HB3 ALA 15 3HB ALA 15 -4.450 0.825 9.544 105 H ASP 16 H ASP 16 -5.406 1.252 12.510 106 HA ASP 16 HA ASP 16 -5.246 2.895 14.054 107 HB2 ASP 16 1HB ASP 16 -4.181 4.319 11.652 108 HB3 ASP 16 2HB ASP 16 -4.076 4.934 13.312 109 H PHE 17 H PHE 17 -7.507 2.635 13.861 110 HA PHE 17 HA PHE 17 -9.670 3.170 14.004 111 HB2 PHE 17 1HB PHE 17 -9.897 5.213 15.589 112 HB3 PHE 17 2HB PHE 17 -9.157 3.717 16.101 113 HD1 PHE 17 2HD PHE 17 -8.183 6.855 14.456 114 HD2 PHE 17 1HD PHE 17 -6.962 3.682 16.901 115 HE1 PHE 17 2HE PHE 17 -6.123 8.195 15.082 116 HE2 PHE 17 1HE PHE 17 -4.881 4.955 17.604 117 HZ PHE 17 HZ PHE 17 -4.497 7.222 16.683 118 H THR 18 H THR 18 -8.604 3.905 11.567 119 HA THR 18 HA THR 18 -10.534 6.024 10.719 120 HB THR 18 HB THR 18 -7.711 5.568 9.660 121 HG1 THR 18 1HG THR 18 -7.551 6.431 11.642 122 HG21 THR 18 3HG2 THR 18 -9.743 7.784 9.125 123 HG22 THR 18 1HG2 THR 18 -9.239 6.526 7.981 124 HG23 THR 18 2HG2 THR 18 -8.065 7.734 8.524 125 H GLN 19 H GLN 19 -11.904 5.279 9.191 126 HA GLN 19 HA GLN 19 -11.513 2.584 8.044 127 HB2 GLN 19 1HB GLN 19 -13.710 3.232 8.967 128 HB3 GLN 19 2HB GLN 19 -13.824 4.559 7.792 129 HG2 GLN 19 1HG GLN 19 -13.973 3.051 5.956 130 HG3 GLN 19 2HG GLN 19 -13.373 1.694 6.906 131 HE21 GLN 19 1HE2 GLN 19 -14.815 0.298 7.711 132 HE22 GLN 19 2HE2 GLN 19 -16.538 0.564 7.675 133 H PHE 20 H PHE 20 -11.622 2.307 5.697 134 HA PHE 20 HA PHE 20 -11.020 4.640 4.001 135 HB2 PHE 20 1HB PHE 20 -9.143 2.278 4.373 136 HB3 PHE 20 2HB PHE 20 -8.973 3.511 3.148 137 HD1 PHE 20 1HD PHE 20 -8.592 5.991 3.966 138 HD2 PHE 20 2HD PHE 20 -8.228 2.526 6.507 139 HE1 PHE 20 1HE PHE 20 -7.109 7.271 5.481 140 HE2 PHE 20 2HE PHE 20 -6.778 3.834 8.055 141 HZ PHE 20 HZ PHE 20 -6.128 6.170 7.492 142 H HIS 21 H HIS 21 -11.177 4.121 1.775 143 HA HIS 21 HA HIS 21 -12.279 1.478 0.991 144 HB2 HIS 21 1HB HIS 21 -13.359 4.232 0.243 145 HB3 HIS 21 2HB HIS 21 -14.014 2.672 -0.235 146 HD1 HIS 21 1HD HIS 21 -13.774 5.003 2.770 147 HD2 HIS 21 2HD HIS 21 -15.493 1.323 1.625 148 HE1 HIS 21 1HE HIS 21 -15.443 4.345 4.628 149 H ILE 22 H ILE 22 -12.340 1.369 -1.514 150 HA ILE 22 HA ILE 22 -9.837 2.296 -2.658 151 HB ILE 22 HB ILE 22 -12.254 1.210 -4.143 152 HG12 ILE 22 1HG1 ILE 22 -11.778 -0.480 -2.567 153 HG13 ILE 22 2HG1 ILE 22 -11.165 -0.997 -4.121 154 HG21 ILE 22 1HG2 ILE 22 -9.302 1.366 -4.848 155 HG22 ILE 22 2HG2 ILE 22 -10.539 0.552 -5.830 156 HG23 ILE 22 3HG2 ILE 22 -10.614 2.299 -5.579 157 HD11 ILE 22 3HD1 ILE 22 -9.625 -1.641 -2.378 158 HD12 ILE 22 1HD1 ILE 22 -8.847 -0.390 -3.364 159 HD13 ILE 22 2HD1 ILE 22 -9.522 0.011 -1.761 160 H GLY 23 H GLY 23 -9.585 4.356 -2.999 161 HA2 GLY 23 2HA GLY 23 -10.129 6.284 -4.400 162 HA3 GLY 23 1HA GLY 23 -11.830 6.072 -4.007 163 H ASP 24 H ASP 24 -10.412 5.517 -1.057 164 HA ASP 24 HA ASP 24 -10.812 8.258 -0.113 165 HB2 ASP 24 1HB ASP 24 -10.364 5.580 1.104 166 HB3 ASP 24 2HB ASP 24 -9.602 6.879 1.977 167 H THR 25 H THR 25 -8.734 8.961 1.608 168 HA THR 25 HA THR 25 -6.256 8.704 0.029 169 HB THR 25 HB THR 25 -6.099 10.989 1.517 170 HG1 THR 25 1HG THR 25 -8.746 10.848 0.568 171 HG21 THR 25 3HG2 THR 25 -5.383 10.768 -0.832 172 HG22 THR 25 1HG2 THR 25 -6.326 12.247 -0.593 173 HG23 THR 25 2HG2 THR 25 -7.089 10.836 -1.357 174 H VAL 26 H VAL 26 -4.328 8.486 1.338 175 HA VAL 26 HA VAL 26 -4.840 7.487 4.094 176 HB VAL 26 HB VAL 26 -2.619 6.680 4.066 177 HG11 VAL 26 1HG1 VAL 26 -4.400 5.473 2.728 178 HG12 VAL 26 2HG1 VAL 26 -3.631 6.116 1.279 179 HG13 VAL 26 3HG1 VAL 26 -2.725 5.037 2.378 180 HG21 VAL 26 3HG2 VAL 26 -0.996 6.940 2.258 181 HG22 VAL 26 1HG2 VAL 26 -2.105 7.994 1.362 182 HG23 VAL 26 2HG2 VAL 26 -1.404 8.525 2.893 183 HA PRO 27 HA PRO 27 -2.935 11.217 5.856 184 HB2 PRO 27 1HB PRO 27 -1.827 10.261 8.168 185 HB3 PRO 27 2HB PRO 27 -3.571 10.481 7.955 186 HG2 PRO 27 1HG PRO 27 -1.975 7.964 7.610 187 HG3 PRO 27 2HG PRO 27 -3.499 8.155 8.530 188 HD2 PRO 27 1HD PRO 27 -3.513 7.173 6.011 189 HD3 PRO 27 2HD PRO 27 -4.797 8.274 6.579 190 H ALA 28 H ALA 28 -0.781 12.075 6.288 191 HA ALA 28 HA ALA 28 1.208 11.096 4.550 192 HB1 ALA 28 1HB ALA 28 0.972 13.468 5.201 193 HB2 ALA 28 2HB ALA 28 1.477 13.068 6.863 194 HB3 ALA 28 3HB ALA 28 2.610 12.868 5.510 195 H MET 29 H MET 29 0.414 9.918 7.654 196 HA MET 29 HA MET 29 2.939 9.135 8.657 197 HB2 MET 29 1HB MET 29 0.412 7.433 8.917 198 HB3 MET 29 2HB MET 29 1.818 7.535 10.001 199 HG2 MET 29 1HG MET 29 0.947 10.134 9.965 200 HG3 MET 29 2HG MET 29 -0.568 9.276 9.773 201 HE1 MET 29 3HE MET 29 -1.255 7.181 11.412 202 HE2 MET 29 1HE MET 29 0.374 6.495 11.633 203 HE3 MET 29 2HE MET 29 -0.575 6.987 13.045 204 H TYR 30 H TYR 30 0.967 7.842 6.046 205 HA TYR 30 HA TYR 30 2.849 5.512 5.784 206 HB2 TYR 30 1HB TYR 30 0.175 5.958 4.433 207 HB3 TYR 30 2HB TYR 30 1.152 4.488 4.416 208 HD1 TYR 30 1HD TYR 30 1.657 3.330 6.704 209 HD2 TYR 30 2HD TYR 30 -1.344 6.370 6.157 210 HE1 TYR 30 1HE TYR 30 0.660 2.738 8.898 211 HE2 TYR 30 2HE TYR 30 -2.311 5.801 8.406 212 HH TYR 30 HH TYR 30 -0.824 3.489 10.607 213 H LEU 31 H LEU 31 2.369 8.595 4.420 214 HA LEU 31 HA LEU 31 3.121 7.888 1.699 215 HB2 LEU 31 1HB LEU 31 2.657 10.464 3.219 216 HB3 LEU 31 2HB LEU 31 3.417 10.500 1.637 217 HG LEU 31 HG LEU 31 0.962 8.778 1.872 218 HD11 LEU 31 1HD1 LEU 31 -0.081 10.522 2.963 219 HD12 LEU 31 2HD1 LEU 31 -0.522 10.709 1.285 220 HD13 LEU 31 3HD1 LEU 31 0.715 11.764 1.983 221 HD21 LEU 31 3HD2 LEU 31 1.897 10.757 -0.242 222 HD22 LEU 31 1HD2 LEU 31 0.678 9.471 -0.428 223 HD23 LEU 31 2HD2 LEU 31 2.382 9.045 -0.187 224 H THR 32 H THR 32 4.822 8.625 4.650 225 HA THR 32 HA THR 32 7.341 9.320 3.593 226 HB THR 32 HB THR 32 6.944 9.621 5.916 227 HG1 THR 32 1HG THR 32 8.473 7.916 6.869 228 HG21 THR 32 3HG2 THR 32 5.234 7.937 6.320 229 HG22 THR 32 1HG2 THR 32 6.527 7.793 7.501 230 HG23 THR 32 2HG2 THR 32 6.453 6.660 6.133 231 HA PRO 33 HA PRO 33 8.666 5.604 1.476 232 HB2 PRO 33 1HB PRO 33 11.360 5.736 1.736 233 HB3 PRO 33 2HB PRO 33 10.406 6.823 0.685 234 HG2 PRO 33 1HG PRO 33 11.430 7.373 3.481 235 HG3 PRO 33 2HG PRO 33 11.548 8.419 2.032 236 HD2 PRO 33 1HD PRO 33 9.593 8.767 3.883 237 HD3 PRO 33 2HD PRO 33 9.247 8.967 2.145 238 H GLU 34 H GLU 34 9.073 6.028 4.889 239 HA GLU 34 HA GLU 34 10.542 3.811 5.713 240 HB2 GLU 34 1HB GLU 34 8.265 5.432 6.858 241 HB3 GLU 34 2HB GLU 34 8.898 4.071 7.770 242 HG2 GLU 34 1HG GLU 34 11.178 5.011 7.680 243 HG3 GLU 34 2HG GLU 34 10.627 6.319 6.625 244 H TYR 35 H TYR 35 7.221 3.848 4.503 245 HA TYR 35 HA TYR 35 6.981 0.938 5.160 246 HB2 TYR 35 1HB TYR 35 4.721 2.897 4.728 247 HB3 TYR 35 2HB TYR 35 4.622 1.245 5.321 248 HD1 TYR 35 1HD TYR 35 5.631 4.699 6.132 249 HD2 TYR 35 2HD TYR 35 5.175 0.719 7.707 250 HE1 TYR 35 1HE TYR 35 5.903 5.596 8.397 251 HE2 TYR 35 2HE TYR 35 5.497 1.611 10.010 252 HH TYR 35 HH TYR 35 6.105 5.115 10.625 253 H ASN 36 H ASN 36 7.840 2.794 2.663 254 HA ASN 36 HA ASN 36 6.289 2.134 0.380 255 HB2 ASN 36 1HB ASN 36 7.888 3.959 0.489 256 HB3 ASN 36 2HB ASN 36 9.212 2.821 0.761 257 HD21 ASN 36 1HD2 ASN 36 10.287 3.766 -0.986 258 HD22 ASN 36 2HD2 ASN 36 9.822 3.497 -2.629 259 H ILE 37 H ILE 37 5.838 0.023 -0.117 260 HA ILE 37 HA ILE 37 7.979 -1.993 -0.062 261 HB ILE 37 HB ILE 37 5.202 -2.332 -1.229 262 HG12 ILE 37 1HG1 ILE 37 4.761 -1.840 1.066 263 HG13 ILE 37 2HG1 ILE 37 4.648 -3.575 0.847 264 HG21 ILE 37 1HG2 ILE 37 6.795 -3.950 -2.048 265 HG22 ILE 37 2HG2 ILE 37 7.463 -4.232 -0.429 266 HG23 ILE 37 3HG2 ILE 37 5.836 -4.761 -0.827 267 HD11 ILE 37 3HD1 ILE 37 7.038 -3.733 1.776 268 HD12 ILE 37 1HD1 ILE 37 6.878 -2.019 2.210 269 HD13 ILE 37 2HD1 ILE 37 5.783 -3.222 2.909 270 H LYS 38 H LYS 38 9.340 -0.609 -1.289 271 HA LYS 38 HA LYS 38 8.913 0.021 -4.028 272 HB2 LYS 38 1HB LYS 38 11.385 0.022 -4.231 273 HB3 LYS 38 2HB LYS 38 10.779 0.956 -2.876 274 HG2 LYS 38 1HG LYS 38 11.293 -1.643 -1.842 275 HG3 LYS 38 2HG LYS 38 12.654 -1.280 -2.888 276 HD2 LYS 38 1HD LYS 38 11.627 0.509 -0.647 277 HD3 LYS 38 2HD LYS 38 12.869 -0.710 -0.421 278 HE2 LYS 38 1HE LYS 38 13.128 1.627 -2.354 279 HE3 LYS 38 2HE LYS 38 13.715 1.631 -0.682 280 HZ1 LYS 38 3HZ LYS 38 14.684 -0.139 -2.842 281 HZ2 LYS 38 1HZ LYS 38 15.187 -0.207 -1.245 282 HZ3 LYS 38 2HZ LYS 38 15.466 1.110 -2.164 283 H GLN 39 H GLN 39 9.849 -3.089 -2.476 284 HA GLN 39 HA GLN 39 10.263 -4.391 -5.067 285 HB2 GLN 39 1HB GLN 39 10.288 -5.496 -2.235 286 HB3 GLN 39 2HB GLN 39 10.910 -6.297 -3.680 287 HG2 GLN 39 1HG GLN 39 12.666 -4.618 -3.914 288 HG3 GLN 39 2HG GLN 39 12.033 -3.677 -2.581 289 HE21 GLN 39 1HE2 GLN 39 11.816 -4.699 -0.481 290 HE22 GLN 39 2HE2 GLN 39 13.047 -5.834 0.060 291 H TRP 40 H TRP 40 7.845 -3.794 -5.610 292 HA TRP 40 HA TRP 40 5.754 -5.135 -4.167 293 HB2 TRP 40 1HB TRP 40 4.509 -4.743 -6.366 294 HB3 TRP 40 2HB TRP 40 4.943 -3.357 -5.394 295 HD1 TRP 40 HD TRP 40 6.938 -1.786 -6.526 296 HE1 TRP 40 1HE TRP 40 7.580 -1.406 -8.977 297 HE3 TRP 40 3HE TRP 40 4.517 -5.787 -8.600 298 HZ2 TRP 40 2HZ TRP 40 7.049 -2.673 -11.545 299 HZ3 TRP 40 3HZ TRP 40 4.614 -6.189 -11.037 300 HH2 TRP 40 HH TRP 40 5.856 -4.647 -12.505 301 H GLN 41 H GLN 41 7.428 -5.926 -7.212 302 HA GLN 41 HA GLN 41 5.568 -7.735 -8.067 303 HB2 GLN 41 1HB GLN 41 7.434 -6.554 -9.277 304 HB3 GLN 41 2HB GLN 41 8.534 -7.825 -8.774 305 HG2 GLN 41 1HG GLN 41 5.989 -8.673 -10.132 306 HG3 GLN 41 2HG GLN 41 7.119 -7.763 -11.123 307 HE21 GLN 41 1HE2 GLN 41 9.432 -8.616 -11.253 308 HE22 GLN 41 2HE2 GLN 41 9.710 -10.318 -10.824 309 H GLN 42 H GLN 42 8.468 -8.504 -6.167 310 HA GLN 42 HA GLN 42 8.359 -11.329 -6.137 311 HB2 GLN 42 1HB GLN 42 9.309 -9.334 -4.065 312 HB3 GLN 42 2HB GLN 42 9.491 -11.090 -3.924 313 HG2 GLN 42 1HG GLN 42 10.601 -11.065 -6.222 314 HG3 GLN 42 2HG GLN 42 10.683 -9.308 -6.055 315 HE21 GLN 42 1HE2 GLN 42 12.822 -11.534 -6.067 316 HE22 GLN 42 2HE2 GLN 42 13.734 -11.152 -4.630 317 H ARG 43 H ARG 43 6.187 -9.018 -4.489 318 HA ARG 43 HA ARG 43 5.327 -11.084 -2.548 319 HB2 ARG 43 1HB ARG 43 4.603 -8.148 -2.714 320 HB3 ARG 43 2HB ARG 43 4.097 -9.304 -1.467 321 HG2 ARG 43 1HG ARG 43 6.655 -9.775 -1.160 322 HG3 ARG 43 2HG ARG 43 6.877 -8.254 -2.047 323 HD2 ARG 43 1HD ARG 43 5.380 -7.160 -0.343 324 HD3 ARG 43 2HD ARG 43 5.384 -8.670 0.583 325 HE ARG 43 HE ARG 43 8.060 -7.960 -0.006 326 HH11 ARG 43 1HH1 ARG 43 5.419 -6.821 2.049 327 HH12 ARG 43 2HH1 ARG 43 6.391 -5.790 3.027 328 HH21 ARG 43 1HH2 ARG 43 9.342 -6.694 1.138 329 HH22 ARG 43 2HH2 ARG 43 8.790 -5.558 2.360 330 H ASN 44 H ASN 44 4.839 -11.340 -5.434 331 HA ASN 44 HA ASN 44 3.302 -12.273 -6.751 332 HB2 ASN 44 1HB ASN 44 1.475 -12.467 -4.337 333 HB3 ASN 44 2HB ASN 44 1.378 -13.392 -5.819 334 HD21 ASN 44 1HD2 ASN 44 2.287 -15.473 -5.722 335 HD22 ASN 44 2HD2 ASN 44 3.370 -15.973 -4.458 336 H LEU 45 H LEU 45 2.808 -9.289 -5.422 337 HA LEU 45 HA LEU 45 0.116 -8.703 -6.270 338 HB2 LEU 45 1HB LEU 45 2.436 -7.079 -5.096 339 HB3 LEU 45 2HB LEU 45 0.926 -6.353 -5.570 340 HG LEU 45 HG LEU 45 0.686 -8.691 -3.727 341 HD11 LEU 45 1HD1 LEU 45 1.374 -5.869 -2.817 342 HD12 LEU 45 2HD1 LEU 45 2.434 -7.297 -2.688 343 HD13 LEU 45 3HD1 LEU 45 0.920 -7.242 -1.781 344 HD21 LEU 45 3HD2 LEU 45 -1.218 -7.316 -2.951 345 HD22 LEU 45 1HD2 LEU 45 -1.318 -7.583 -4.695 346 HD23 LEU 45 2HD2 LEU 45 -0.763 -6.012 -4.059 347 HA PRO 46 HA PRO 46 1.031 -6.824 -10.205 348 HB2 PRO 46 1HB PRO 46 -0.805 -4.781 -10.359 349 HB3 PRO 46 2HB PRO 46 -1.277 -6.511 -10.424 350 HG2 PRO 46 1HG PRO 46 -1.287 -4.636 -8.086 351 HG3 PRO 46 2HG PRO 46 -2.589 -5.748 -8.584 352 HD2 PRO 46 1HD PRO 46 -0.844 -6.281 -6.623 353 HD3 PRO 46 2HD PRO 46 -1.445 -7.597 -7.691 354 H ALA 47 H ALA 47 1.371 -4.629 -11.266 355 HA ALA 47 HA ALA 47 3.539 -3.185 -10.090 356 HB1 ALA 47 1HB ALA 47 3.330 -1.845 -12.176 357 HB2 ALA 47 2HB ALA 47 3.210 -3.573 -12.542 358 HB3 ALA 47 3HB ALA 47 1.745 -2.561 -12.483 359 HA PRO 48 HA PRO 48 1.114 0.376 -8.517 360 HB2 PRO 48 1HB PRO 48 2.861 2.442 -8.814 361 HB3 PRO 48 2HB PRO 48 3.133 1.145 -7.619 362 HG2 PRO 48 1HG PRO 48 4.281 1.352 -10.422 363 HG3 PRO 48 2HG PRO 48 5.175 1.088 -8.889 364 HD2 PRO 48 1HD PRO 48 4.437 -0.977 -10.498 365 HD3 PRO 48 2HD PRO 48 4.395 -1.136 -8.720 366 H ASP 49 H ASP 49 1.036 2.891 -9.584 367 HA ASP 49 HA ASP 49 0.484 2.710 -12.498 368 HB2 ASP 49 1HB ASP 49 -0.437 4.884 -10.557 369 HB3 ASP 49 2HB ASP 49 -0.658 4.849 -12.291 370 H ALA 50 H ALA 50 1.006 5.301 -13.137 371 HA ALA 50 HA ALA 50 3.819 5.735 -12.947 372 HB1 ALA 50 1HB ALA 50 3.185 8.002 -13.845 373 HB2 ALA 50 2HB ALA 50 2.517 6.648 -14.780 374 HB3 ALA 50 3HB ALA 50 1.482 7.568 -13.659 375 H GLY 51 H GLY 51 4.638 5.853 -10.889 376 HA2 GLY 51 2HA GLY 51 5.559 7.250 -9.285 377 HA3 GLY 51 1HA GLY 51 4.316 8.461 -9.599 378 H SER 52 H SER 52 2.439 5.802 -9.097 379 HA SER 52 HA SER 52 2.159 6.377 -6.237 380 HB2 SER 52 1HB SER 52 0.279 4.807 -6.366 381 HB3 SER 52 2HB SER 52 0.138 6.110 -7.537 382 HG SER 52 HG SER 52 -0.371 4.227 -8.535 383 H HIS 53 H HIS 53 2.116 4.399 -4.749 384 HA HIS 53 HA HIS 53 3.874 2.197 -5.509 385 HB2 HIS 53 1HB HIS 53 5.498 2.773 -3.649 386 HB3 HIS 53 2HB HIS 53 5.523 3.809 -5.076 387 HD1 HIS 53 1HD HIS 53 4.691 6.398 -4.728 388 HD2 HIS 53 2HD HIS 53 4.742 3.880 -1.319 389 HE1 HIS 53 1HE HIS 53 4.525 7.915 -2.677 390 H TRP 54 H TRP 54 3.904 0.567 -3.932 391 HA TRP 54 HA TRP 54 1.439 0.452 -2.369 392 HB2 TRP 54 1HB TRP 54 3.661 -1.533 -2.950 393 HB3 TRP 54 2HB TRP 54 2.223 -1.891 -1.997 394 HD1 TRP 54 HD TRP 54 3.236 -1.253 -5.662 395 HE1 TRP 54 1HE TRP 54 1.296 -2.053 -7.201 396 HE3 TRP 54 3HE TRP 54 -0.353 -2.021 -2.111 397 HZ2 TRP 54 2HZ TRP 54 -1.397 -2.952 -6.895 398 HZ3 TRP 54 3HZ TRP 54 -2.646 -2.717 -2.767 399 HH2 TRP 54 HH TRP 54 -3.185 -3.148 -5.152 400 H THR 55 H THR 55 1.350 0.418 -0.077 401 HA THR 55 HA THR 55 3.932 0.491 1.349 402 HB THR 55 HB THR 55 3.059 2.239 2.844 403 HG1 THR 55 1HG THR 55 1.244 3.444 1.951 404 HG21 THR 55 3HG2 THR 55 3.290 4.111 1.364 405 HG22 THR 55 1HG2 THR 55 2.895 3.103 -0.054 406 HG23 THR 55 2HG2 THR 55 4.401 2.852 0.856 407 H TYR 56 H TYR 56 3.739 -0.010 3.662 408 HA TYR 56 HA TYR 56 1.790 -2.175 4.111 409 HB2 TYR 56 1HB TYR 56 4.327 -2.407 4.326 410 HB3 TYR 56 2HB TYR 56 4.245 -1.388 5.743 411 HD1 TYR 56 1HD TYR 56 2.071 -4.273 4.537 412 HD2 TYR 56 2HD TYR 56 4.697 -2.756 7.608 413 HE1 TYR 56 1HE TYR 56 1.821 -6.358 5.800 414 HE2 TYR 56 2HE TYR 56 4.588 -4.935 8.773 415 HH TYR 56 HH TYR 56 2.671 -7.718 7.518 416 H MET 57 H MET 57 -0.144 -1.155 4.730 417 HA MET 57 HA MET 57 -0.084 0.906 6.840 418 HB2 MET 57 1HB MET 57 -0.886 1.418 4.499 419 HB3 MET 57 2HB MET 57 -2.057 0.136 4.666 420 HG2 MET 57 1HG MET 57 -2.174 2.899 5.495 421 HG3 MET 57 2HG MET 57 -3.405 1.690 5.238 422 HE1 MET 57 3HE MET 57 -4.874 2.995 6.997 423 HE2 MET 57 1HE MET 57 -4.242 3.580 8.559 424 HE3 MET 57 2HE MET 57 -3.557 4.170 7.022 425 H GLY 58 H GLY 58 -0.113 -0.470 8.665 426 HA2 GLY 58 2HA GLY 58 -1.316 -1.543 10.315 427 HA3 GLY 58 1HA GLY 58 -2.729 -1.457 9.270 428 H GLY 59 H GLY 59 -0.033 -3.148 7.751 429 HA2 GLY 59 2HA GLY 59 0.291 -5.449 7.559 430 HA3 GLY 59 1HA GLY 59 -1.138 -5.761 8.530 431 H ASN 60 H ASN 60 -1.855 -3.303 6.215 432 HA ASN 60 HA ASN 60 -2.817 -5.269 4.191 433 HB2 ASN 60 1HB ASN 60 -3.799 -2.422 4.642 434 HB3 ASN 60 2HB ASN 60 -4.433 -3.614 3.509 435 HD21 ASN 60 1HD2 ASN 60 -4.517 -2.467 6.781 436 HD22 ASN 60 2HD2 ASN 60 -5.547 -3.715 7.449 437 H TYR 61 H TYR 61 -2.322 -4.727 1.997 438 HA TYR 61 HA TYR 61 0.030 -2.943 1.691 439 HB2 TYR 61 1HB TYR 61 -1.034 -5.196 -0.048 440 HB3 TYR 61 2HB TYR 61 0.235 -4.080 -0.548 441 HD1 TYR 61 1HD TYR 61 2.117 -3.732 1.504 442 HD2 TYR 61 2HD TYR 61 -0.230 -7.269 0.692 443 HE1 TYR 61 1HE TYR 61 3.829 -5.119 2.609 444 HE2 TYR 61 2HE TYR 61 1.500 -8.657 1.707 445 HH TYR 61 HH TYR 61 3.427 -8.589 3.132 446 H VAL 62 H VAL 62 -0.526 -0.894 0.999 447 HA VAL 62 HA VAL 62 -3.082 -0.661 -0.534 448 HB VAL 62 HB VAL 62 -3.686 1.166 0.810 449 HG11 VAL 62 1HG1 VAL 62 -2.611 -0.938 2.708 450 HG12 VAL 62 2HG1 VAL 62 -3.799 0.307 3.072 451 HG13 VAL 62 3HG1 VAL 62 -4.188 -0.926 1.889 452 HG21 VAL 62 3HG2 VAL 62 -0.976 1.013 2.180 453 HG22 VAL 62 1HG2 VAL 62 -1.488 2.245 1.014 454 HG23 VAL 62 2HG2 VAL 62 -2.309 2.144 2.574 455 H LEU 63 H LEU 63 -3.005 0.616 -2.285 456 HA LEU 63 HA LEU 63 -0.278 1.387 -3.267 457 HB2 LEU 63 1HB LEU 63 -1.504 -0.146 -4.720 458 HB3 LEU 63 2HB LEU 63 -2.880 0.941 -4.768 459 HG LEU 63 HG LEU 63 -1.572 2.615 -5.973 460 HD11 LEU 63 1HD1 LEU 63 0.640 2.426 -5.171 461 HD12 LEU 63 2HD1 LEU 63 0.717 2.050 -6.875 462 HD13 LEU 63 3HD1 LEU 63 0.786 0.737 -5.682 463 HD21 LEU 63 3HD2 LEU 63 -2.748 0.789 -7.217 464 HD22 LEU 63 1HD2 LEU 63 -1.254 -0.155 -7.222 465 HD23 LEU 63 2HD2 LEU 63 -1.338 1.392 -8.095 466 H ILE 64 H ILE 64 0.213 3.505 -2.896 467 HA ILE 64 HA ILE 64 -2.015 5.472 -2.816 468 HB ILE 64 HB ILE 64 -0.623 6.694 -1.204 469 HG12 ILE 64 1HG1 ILE 64 1.098 4.212 -0.914 470 HG13 ILE 64 2HG1 ILE 64 1.605 5.627 -1.845 471 HG21 ILE 64 1HG2 ILE 64 -2.454 5.243 -0.514 472 HG22 ILE 64 2HG2 ILE 64 -1.313 3.867 -0.395 473 HG23 ILE 64 3HG2 ILE 64 -1.164 5.243 0.698 474 HD11 ILE 64 3HD1 ILE 64 1.184 7.035 0.210 475 HD12 ILE 64 1HD1 ILE 64 1.069 5.515 1.127 476 HD13 ILE 64 2HD1 ILE 64 2.562 5.933 0.262 477 H THR 65 H THR 65 -1.711 7.525 -3.831 478 HA THR 65 HA THR 65 0.421 7.582 -5.842 479 HB THR 65 HB THR 65 -0.712 10.049 -5.963 480 HG1 THR 65 1HG THR 65 -2.920 9.798 -5.700 481 HG21 THR 65 3HG2 THR 65 -1.877 7.490 -7.105 482 HG22 THR 65 1HG2 THR 65 -0.501 8.397 -7.786 483 HG23 THR 65 2HG2 THR 65 -2.111 9.118 -7.762 484 H ASP 66 H ASP 66 2.312 8.726 -5.681 485 HA ASP 66 HA ASP 66 3.294 9.540 -3.145 486 HB2 ASP 66 1HB ASP 66 5.094 10.492 -4.328 487 HB3 ASP 66 2HB ASP 66 4.710 8.931 -5.079 488 H THR 67 H THR 67 1.342 11.180 -5.292 489 HA THR 67 HA THR 67 2.068 13.883 -4.404 490 HB THR 67 HB THR 67 2.542 13.149 -6.636 491 HG1 THR 67 1HG THR 67 2.152 15.209 -6.424 492 HG21 THR 67 3HG2 THR 67 0.964 11.451 -7.062 493 HG22 THR 67 1HG2 THR 67 0.752 12.703 -8.282 494 HG23 THR 67 2HG2 THR 67 -0.418 12.589 -6.944 495 H GLU 68 H GLU 68 0.001 11.913 -3.118 496 HA GLU 68 HA GLU 68 -2.169 13.767 -2.545 497 HB2 GLU 68 1HB GLU 68 -2.712 13.079 -4.904 498 HB3 GLU 68 2HB GLU 68 -2.524 11.424 -4.444 499 HG2 GLU 68 1HG GLU 68 -4.777 11.624 -4.517 500 HG3 GLU 68 2HG GLU 68 -4.502 11.843 -2.793 501 H GLY 69 H GLY 69 -1.247 10.340 -2.937 502 HA2 GLY 69 2HA GLY 69 -1.221 8.597 -1.535 503 HA3 GLY 69 1HA GLY 69 -1.815 9.577 -0.210 504 H LYS 70 H LYS 70 -3.400 9.298 -3.415 505 HA LYS 70 HA LYS 70 -5.906 8.603 -2.157 506 HB2 LYS 70 1HB LYS 70 -5.077 9.473 -4.764 507 HB3 LYS 70 2HB LYS 70 -5.781 7.899 -4.996 508 HG2 LYS 70 1HG LYS 70 -7.478 9.459 -3.175 509 HG3 LYS 70 2HG LYS 70 -7.075 10.408 -4.587 510 HD2 LYS 70 1HD LYS 70 -8.212 7.572 -4.676 511 HD3 LYS 70 2HD LYS 70 -9.209 9.029 -4.735 512 HE2 LYS 70 1HE LYS 70 -7.004 8.374 -6.732 513 HE3 LYS 70 2HE LYS 70 -8.715 8.035 -7.000 514 HZ1 LYS 70 3HZ LYS 70 -7.722 10.194 -7.880 515 HZ2 LYS 70 1HZ LYS 70 -7.826 10.772 -6.358 516 HZ3 LYS 70 2HZ LYS 70 -9.195 10.295 -7.101 517 H ILE 71 H ILE 71 -6.836 6.674 -1.927 518 HA ILE 71 HA ILE 71 -5.125 4.362 -1.944 519 HB ILE 71 HB ILE 71 -8.003 4.789 -1.051 520 HG12 ILE 71 1HG1 ILE 71 -5.343 4.620 0.457 521 HG13 ILE 71 2HG1 ILE 71 -6.292 6.080 0.206 522 HG21 ILE 71 1HG2 ILE 71 -7.583 2.373 -1.593 523 HG22 ILE 71 2HG2 ILE 71 -6.204 2.378 -0.478 524 HG23 ILE 71 3HG2 ILE 71 -7.855 2.636 0.118 525 HD11 ILE 71 3HD1 ILE 71 -6.732 5.455 2.403 526 HD12 ILE 71 1HD1 ILE 71 -8.169 4.946 1.492 527 HD13 ILE 71 2HD1 ILE 71 -6.950 3.745 1.988 528 H LEU 72 H LEU 72 -4.657 4.133 -4.078 529 HA LEU 72 HA LEU 72 -6.606 4.038 -6.160 530 HB2 LEU 72 1HB LEU 72 -3.815 2.832 -6.059 531 HB3 LEU 72 2HB LEU 72 -4.790 3.004 -7.498 532 HG LEU 72 HG LEU 72 -3.474 5.209 -5.883 533 HD11 LEU 72 1HD1 LEU 72 -2.050 4.055 -7.491 534 HD12 LEU 72 2HD1 LEU 72 -2.420 5.666 -8.123 535 HD13 LEU 72 3HD1 LEU 72 -3.263 4.252 -8.764 536 HD21 LEU 72 3HD2 LEU 72 -5.446 5.528 -8.193 537 HD22 LEU 72 1HD2 LEU 72 -4.437 6.829 -7.511 538 HD23 LEU 72 2HD2 LEU 72 -5.686 6.075 -6.522 539 H LYS 73 H LYS 73 -5.040 1.448 -4.241 540 HA LYS 73 HA LYS 73 -7.183 -0.435 -4.761 541 HB2 LYS 73 1HB LYS 73 -4.330 -0.942 -5.728 542 HB3 LYS 73 2HB LYS 73 -5.474 -2.239 -5.382 543 HG2 LYS 73 1HG LYS 73 -7.021 -1.395 -7.105 544 HG3 LYS 73 2HG LYS 73 -5.910 -0.070 -7.454 545 HD2 LYS 73 1HD LYS 73 -5.491 -1.667 -9.136 546 HD3 LYS 73 2HD LYS 73 -4.136 -1.715 -8.020 547 HE2 LYS 73 1HE LYS 73 -4.594 -3.966 -8.549 548 HE3 LYS 73 2HE LYS 73 -5.230 -3.722 -6.915 549 HZ1 LYS 73 3HZ LYS 73 -6.736 -4.958 -8.368 550 HZ2 LYS 73 1HZ LYS 73 -6.809 -3.706 -9.423 551 HZ3 LYS 73 2HZ LYS 73 -7.457 -3.536 -7.918 552 H VAL 74 H VAL 74 -6.851 -2.381 -3.215 553 HA VAL 74 HA VAL 74 -4.625 -2.107 -1.339 554 HB VAL 74 HB VAL 74 -7.554 -2.462 -0.602 555 HG11 VAL 74 1HG1 VAL 74 -6.658 -2.428 1.797 556 HG12 VAL 74 2HG1 VAL 74 -6.343 -3.896 0.877 557 HG13 VAL 74 3HG1 VAL 74 -5.049 -2.726 1.098 558 HG21 VAL 74 3HG2 VAL 74 -7.088 -0.108 -0.949 559 HG22 VAL 74 1HG2 VAL 74 -7.222 -0.406 0.774 560 HG23 VAL 74 2HG2 VAL 74 -5.614 -0.203 0.043 561 H TYR 75 H TYR 75 -4.024 -4.181 -0.557 562 HA TYR 75 HA TYR 75 -5.799 -6.407 -1.132 563 HB2 TYR 75 1HB TYR 75 -2.829 -6.516 -1.666 564 HB3 TYR 75 2HB TYR 75 -3.833 -7.942 -1.462 565 HD1 TYR 75 1HD TYR 75 -5.533 -8.587 -3.159 566 HD2 TYR 75 2HD TYR 75 -2.994 -5.166 -3.699 567 HE1 TYR 75 1HE TYR 75 -6.254 -8.483 -5.482 568 HE2 TYR 75 2HE TYR 75 -3.666 -5.057 -6.098 569 HH TYR 75 HH TYR 75 -5.960 -7.274 -7.629 570 H ASP 76 H ASP 76 -5.523 -8.035 0.603 571 HA ASP 76 HA ASP 76 -4.694 -7.095 3.198 572 HB2 ASP 76 1HB ASP 76 -6.368 -8.941 2.548 573 HB3 ASP 76 2HB ASP 76 -4.969 -9.983 2.295 574 H GLY 77 H GLY 77 -2.872 -8.060 4.434 575 HA2 GLY 77 2HA GLY 77 -0.293 -8.203 3.067 576 HA3 GLY 77 1HA GLY 77 -0.628 -8.445 4.787 577 H GLU 78 H GLU 78 -2.784 -10.486 4.028 578 HA GLU 78 HA GLU 78 -1.216 -12.771 4.271 579 HB2 GLU 78 1HB GLU 78 -4.052 -12.438 3.276 580 HB3 GLU 78 2HB GLU 78 -3.259 -13.993 3.540 581 HG2 GLU 78 1HG GLU 78 -2.714 -12.676 5.937 582 HG3 GLU 78 2HG GLU 78 -4.277 -12.006 5.518 583 H ILE 79 H ILE 79 -1.774 -11.016 1.318 584 HA ILE 79 HA ILE 79 -1.353 -13.128 -0.551 585 HB ILE 79 HB ILE 79 -2.316 -10.876 -1.010 586 HG12 ILE 79 1HG1 ILE 79 0.089 -11.406 -2.780 587 HG13 ILE 79 2HG1 ILE 79 -1.306 -12.490 -2.756 588 HG21 ILE 79 1HG2 ILE 79 0.521 -9.788 -1.146 589 HG22 ILE 79 2HG2 ILE 79 -1.022 -8.905 -1.203 590 HG23 ILE 79 3HG2 ILE 79 -0.472 -9.619 0.307 591 HD11 ILE 79 3HD1 ILE 79 -1.357 -10.762 -4.578 592 HD12 ILE 79 1HD1 ILE 79 -2.786 -10.745 -3.510 593 HD13 ILE 79 2HD1 ILE 79 -1.537 -9.524 -3.343 594 H PHE 80 H PHE 80 0.857 -11.394 1.557 595 HA PHE 80 HA PHE 80 3.267 -11.880 0.057 596 HB2 PHE 80 1HB PHE 80 2.968 -10.150 1.823 597 HB3 PHE 80 2HB PHE 80 2.759 -11.411 3.016 598 HD1 PHE 80 2HD PHE 80 5.424 -11.405 0.328 599 HD2 PHE 80 1HD PHE 80 4.472 -10.880 4.508 600 HE1 PHE 80 2HE PHE 80 7.822 -11.471 0.888 601 HE2 PHE 80 1HE PHE 80 6.872 -10.973 5.060 602 HZ PHE 80 HZ PHE 80 8.564 -11.299 3.245 603 H TYR 81 H TYR 81 1.162 -13.986 1.721 604 HA TYR 81 HA TYR 81 3.234 -16.092 1.969 605 HB2 TYR 81 1HB TYR 81 0.702 -15.918 3.606 606 HB3 TYR 81 2HB TYR 81 2.133 -16.896 3.900 607 HD1 TYR 81 2HD TYR 81 0.677 -13.525 4.084 608 HD2 TYR 81 1HD TYR 81 4.116 -15.895 5.053 609 HE1 TYR 81 2HE TYR 81 1.469 -11.705 5.543 610 HE2 TYR 81 1HE TYR 81 4.953 -14.078 6.522 611 HH TYR 81 HH TYR 81 4.563 -11.952 7.372 612 H HIS 82 H HIS 82 1.385 -15.171 -0.305 613 HA HIS 82 HA HIS 82 -0.235 -17.515 -0.949 614 HB2 HIS 82 1HB HIS 82 -0.618 -15.074 -1.674 615 HB3 HIS 82 2HB HIS 82 0.811 -15.244 -2.689 616 HD1 HIS 82 1HD HIS 82 -2.169 -17.780 -2.421 617 HD2 HIS 82 2HD HIS 82 -0.384 -14.929 -4.958 618 HE1 HIS 82 1HE HIS 82 -3.416 -17.896 -4.636 619 H ARG 83 H ARG 83 0.752 -18.102 -3.568 620 HA ARG 83 HA ARG 83 3.623 -18.463 -3.379 621 HB2 ARG 83 1HB ARG 83 2.010 -20.784 -4.390 622 HB3 ARG 83 2HB ARG 83 3.716 -20.699 -4.015 623 HG2 ARG 83 1HG ARG 83 3.132 -20.612 -1.553 624 HG3 ARG 83 2HG ARG 83 1.425 -20.831 -2.010 625 HD2 ARG 83 1HD ARG 83 2.343 -22.859 -3.425 626 HD3 ARG 83 2HD ARG 83 3.755 -22.721 -2.359 627 HE ARG 83 HE ARG 83 1.408 -22.778 -0.775 628 HH11 ARG 83 1HH1 ARG 83 3.127 -24.984 -2.970 629 HH12 ARG 83 2HH1 ARG 83 2.300 -26.395 -2.408 630 HH21 ARG 83 1HH2 ARG 83 0.641 -24.550 0.178 631 HH22 ARG 83 2HH2 ARG 83 1.202 -26.162 -0.167 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -13.407 -19.480 -1.624 2 HA2 GLY 1 2HA GLY 1 -14.494 -19.739 -3.753 3 HA3 GLY 1 1HA GLY 1 -14.298 -18.014 -3.407 4 H ALA 2 H ALA 2 -11.384 -17.824 -4.017 5 HA ALA 2 HA ALA 2 -11.310 -18.511 -6.904 6 HB1 ALA 2 1HB ALA 2 -12.143 -16.232 -6.833 7 HB2 ALA 2 2HB ALA 2 -10.982 -15.778 -5.584 8 HB3 ALA 2 3HB ALA 2 -10.417 -16.157 -7.224 9 H ALA 3 H ALA 3 -9.336 -19.246 -7.481 10 HA ALA 3 HA ALA 3 -7.395 -19.653 -5.383 11 HB1 ALA 3 1HB ALA 3 -6.355 -21.175 -6.954 12 HB2 ALA 3 2HB ALA 3 -8.091 -21.406 -7.060 13 HB3 ALA 3 3HB ALA 3 -7.262 -20.464 -8.314 14 H GLY 4 H GLY 4 -7.700 -17.010 -7.264 15 HA2 GLY 4 2HA GLY 4 -4.765 -16.576 -7.699 16 HA3 GLY 4 1HA GLY 4 -6.061 -15.702 -8.511 17 H ILE 5 H ILE 5 -5.540 -13.614 -7.809 18 HA ILE 5 HA ILE 5 -4.976 -13.267 -4.935 19 HB ILE 5 HB ILE 5 -4.103 -11.111 -5.507 20 HG12 ILE 5 1HG1 ILE 5 -5.162 -11.474 -8.336 21 HG13 ILE 5 2HG1 ILE 5 -5.770 -10.345 -7.132 22 HG21 ILE 5 1HG2 ILE 5 -2.252 -11.726 -6.927 23 HG22 ILE 5 2HG2 ILE 5 -2.725 -13.157 -6.016 24 HG23 ILE 5 3HG2 ILE 5 -3.186 -13.004 -7.721 25 HD11 ILE 5 3HD1 ILE 5 -3.031 -10.237 -8.435 26 HD12 ILE 5 1HD1 ILE 5 -4.377 -9.113 -8.663 27 HD13 ILE 5 2HD1 ILE 5 -3.547 -9.187 -7.096 28 H ASP 6 H ASP 6 -7.802 -13.095 -6.745 29 HA ASP 6 HA ASP 6 -8.907 -10.579 -5.976 30 HB2 ASP 6 1HB ASP 6 -9.694 -12.131 -7.774 31 HB3 ASP 6 2HB ASP 6 -10.400 -13.167 -6.541 32 H GLN 7 H GLN 7 -8.843 -13.712 -4.309 33 HA GLN 7 HA GLN 7 -10.712 -13.178 -2.288 34 HB2 GLN 7 1HB GLN 7 -9.650 -14.998 -1.107 35 HB3 GLN 7 2HB GLN 7 -9.663 -15.349 -2.837 36 HG2 GLN 7 1HG GLN 7 -7.244 -14.456 -2.893 37 HG3 GLN 7 2HG GLN 7 -7.271 -14.559 -1.139 38 HE21 GLN 7 1HE2 GLN 7 -6.031 -16.190 -3.624 39 HE22 GLN 7 2HE2 GLN 7 -6.523 -17.822 -3.248 40 H TYR 8 H TYR 8 -7.481 -11.852 -2.669 41 HA TYR 8 HA TYR 8 -7.484 -10.841 0.134 42 HB2 TYR 8 1HB TYR 8 -5.302 -10.641 -1.961 43 HB3 TYR 8 2HB TYR 8 -5.159 -10.300 -0.245 44 HD1 TYR 8 1HD TYR 8 -5.453 -12.346 1.383 45 HD2 TYR 8 2HD TYR 8 -4.755 -12.695 -2.846 46 HE1 TYR 8 1HE TYR 8 -4.644 -14.652 1.717 47 HE2 TYR 8 2HE TYR 8 -3.990 -14.999 -2.556 48 HH TYR 8 HH TYR 8 -3.694 -16.721 -1.060 49 H ALA 9 H ALA 9 -8.813 -9.830 -2.793 50 HA ALA 9 HA ALA 9 -7.726 -7.106 -2.847 51 HB1 ALA 9 1HB ALA 9 -9.989 -8.371 -4.458 52 HB2 ALA 9 2HB ALA 9 -9.201 -6.809 -4.765 53 HB3 ALA 9 3HB ALA 9 -8.290 -8.319 -4.951 54 H LEU 10 H LEU 10 -8.296 -6.097 -0.967 55 HA LEU 10 HA LEU 10 -10.975 -6.444 0.210 56 HB2 LEU 10 1HB LEU 10 -8.567 -4.782 1.073 57 HB3 LEU 10 2HB LEU 10 -10.067 -4.917 1.975 58 HG LEU 10 HG LEU 10 -8.159 -7.222 1.398 59 HD11 LEU 10 1HD1 LEU 10 -7.251 -5.577 2.995 60 HD12 LEU 10 2HD1 LEU 10 -7.666 -7.085 3.812 61 HD13 LEU 10 3HD1 LEU 10 -8.733 -5.679 3.969 62 HD21 LEU 10 3HD2 LEU 10 -10.449 -8.086 1.615 63 HD22 LEU 10 1HD2 LEU 10 -10.708 -7.096 3.074 64 HD23 LEU 10 2HD2 LEU 10 -9.552 -8.443 3.090 65 H LYS 11 H LYS 11 -12.616 -4.957 0.000 66 HA LYS 11 HA LYS 11 -12.187 -2.815 -2.003 67 HB2 LYS 11 1HB LYS 11 -14.720 -3.834 -0.608 68 HB3 LYS 11 2HB LYS 11 -14.682 -2.596 -1.863 69 HG2 LYS 11 1HG LYS 11 -13.499 -4.290 -3.359 70 HG3 LYS 11 2HG LYS 11 -13.914 -5.519 -2.140 71 HD2 LYS 11 1HD LYS 11 -16.351 -4.707 -2.414 72 HD3 LYS 11 2HD LYS 11 -15.795 -3.829 -3.845 73 HE2 LYS 11 1HE LYS 11 -15.622 -6.831 -3.324 74 HE3 LYS 11 2HE LYS 11 -16.726 -6.021 -4.453 75 HZ1 LYS 11 3HZ LYS 11 -14.811 -6.997 -5.566 76 HZ2 LYS 11 1HZ LYS 11 -13.777 -6.089 -4.703 77 HZ3 LYS 11 2HZ LYS 11 -14.791 -5.346 -5.744 78 H GLU 12 H GLU 12 -12.373 -3.161 1.414 79 HA GLU 12 HA GLU 12 -11.893 -0.361 1.904 80 HB2 GLU 12 1HB GLU 12 -13.781 -0.198 3.554 81 HB3 GLU 12 2HB GLU 12 -14.310 -0.324 1.887 82 HG2 GLU 12 1HG GLU 12 -14.485 -2.933 2.453 83 HG3 GLU 12 2HG GLU 12 -14.486 -2.365 4.119 84 H PHE 13 H PHE 13 -11.385 -0.172 4.341 85 HA PHE 13 HA PHE 13 -11.189 -2.523 5.920 86 HB2 PHE 13 1HB PHE 13 -8.840 -2.717 6.274 87 HB3 PHE 13 2HB PHE 13 -9.088 -2.904 4.577 88 HD1 PHE 13 1HD PHE 13 -8.758 -0.649 3.111 89 HD2 PHE 13 2HD PHE 13 -7.142 -1.327 7.048 90 HE1 PHE 13 1HE PHE 13 -7.006 1.043 2.680 91 HE2 PHE 13 2HE PHE 13 -5.398 0.372 6.608 92 HZ PHE 13 HZ PHE 13 -5.325 1.566 4.440 93 H THR 14 H THR 14 -9.805 -1.796 8.014 94 HA THR 14 HA THR 14 -9.898 1.124 8.376 95 HB THR 14 HB THR 14 -10.653 -0.813 10.557 96 HG1 THR 14 1HG THR 14 -12.536 -0.913 9.832 97 HG21 THR 14 3HG2 THR 14 -11.471 1.027 11.827 98 HG22 THR 14 1HG2 THR 14 -11.251 2.148 10.480 99 HG23 THR 14 2HG2 THR 14 -9.832 1.438 11.295 100 H ALA 15 H ALA 15 -7.971 1.822 9.321 101 HA ALA 15 HA ALA 15 -6.481 0.032 11.027 102 HB1 ALA 15 1HB ALA 15 -4.299 0.365 9.971 103 HB2 ALA 15 2HB ALA 15 -5.386 -0.469 8.843 104 HB3 ALA 15 3HB ALA 15 -5.045 1.276 8.644 105 H ASP 16 H ASP 16 -4.988 1.387 12.384 106 HA ASP 16 HA ASP 16 -4.586 3.221 13.635 107 HB2 ASP 16 1HB ASP 16 -3.910 3.772 10.959 108 HB3 ASP 16 2HB ASP 16 -4.634 5.256 11.495 109 H PHE 17 H PHE 17 -7.165 2.432 13.474 110 HA PHE 17 HA PHE 17 -9.266 2.939 14.107 111 HB2 PHE 17 1HB PHE 17 -8.320 5.708 14.937 112 HB3 PHE 17 2HB PHE 17 -9.653 4.799 15.614 113 HD1 PHE 17 2HD PHE 17 -9.240 2.948 17.183 114 HD2 PHE 17 1HD PHE 17 -6.004 5.340 15.671 115 HE1 PHE 17 2HE PHE 17 -7.711 1.959 18.892 116 HE2 PHE 17 1HE PHE 17 -4.491 4.375 17.367 117 HZ PHE 17 HZ PHE 17 -5.329 2.663 18.953 118 H THR 18 H THR 18 -8.234 3.844 11.415 119 HA THR 18 HA THR 18 -10.223 5.954 10.720 120 HB THR 18 HB THR 18 -7.524 5.366 9.432 121 HG1 THR 18 1HG THR 18 -7.310 6.160 11.588 122 HG21 THR 18 3HG2 THR 18 -9.356 7.796 9.218 123 HG22 THR 18 1HG2 THR 18 -9.161 6.542 7.972 124 HG23 THR 18 2HG2 THR 18 -7.791 7.573 8.401 125 H GLN 19 H GLN 19 -11.666 5.349 9.160 126 HA GLN 19 HA GLN 19 -11.410 2.635 8.001 127 HB2 GLN 19 1HB GLN 19 -13.521 3.391 9.097 128 HB3 GLN 19 2HB GLN 19 -13.715 4.628 7.844 129 HG2 GLN 19 1HG GLN 19 -14.104 3.021 6.161 130 HG3 GLN 19 2HG GLN 19 -13.259 1.741 7.040 131 HE21 GLN 19 1HE2 GLN 19 -14.413 0.321 8.189 132 HE22 GLN 19 2HE2 GLN 19 -16.157 0.435 8.198 133 H PHE 20 H PHE 20 -11.509 2.293 5.737 134 HA PHE 20 HA PHE 20 -10.807 4.603 3.986 135 HB2 PHE 20 1HB PHE 20 -9.169 2.087 4.437 136 HB3 PHE 20 2HB PHE 20 -8.861 3.269 3.194 137 HD1 PHE 20 2HD PHE 20 -8.588 5.823 4.136 138 HD2 PHE 20 1HD PHE 20 -7.982 2.220 6.408 139 HE1 PHE 20 2HE PHE 20 -7.009 7.037 5.596 140 HE2 PHE 20 1HE PHE 20 -6.382 3.444 7.902 141 HZ PHE 20 HZ PHE 20 -5.876 5.848 7.472 142 H HIS 21 H HIS 21 -10.929 4.122 1.764 143 HA HIS 21 HA HIS 21 -12.279 1.611 0.933 144 HB2 HIS 21 1HB HIS 21 -13.071 4.443 0.126 145 HB3 HIS 21 2HB HIS 21 -13.881 2.944 -0.324 146 HD1 HIS 21 1HD HIS 21 -13.513 5.352 2.663 147 HD2 HIS 21 2HD HIS 21 -15.403 1.729 1.560 148 HE1 HIS 21 1HE HIS 21 -15.201 4.802 4.509 149 H ILE 22 H ILE 22 -12.150 1.348 -1.466 150 HA ILE 22 HA ILE 22 -9.697 2.247 -2.710 151 HB ILE 22 HB ILE 22 -12.295 1.319 -4.031 152 HG12 ILE 22 1HG1 ILE 22 -11.683 -0.467 -2.629 153 HG13 ILE 22 2HG1 ILE 22 -11.207 -0.907 -4.254 154 HG21 ILE 22 1HG2 ILE 22 -10.830 2.427 -5.631 155 HG22 ILE 22 2HG2 ILE 22 -9.456 1.434 -5.109 156 HG23 ILE 22 3HG2 ILE 22 -10.834 0.689 -5.942 157 HD11 ILE 22 3HD1 ILE 22 -8.836 -0.250 -3.645 158 HD12 ILE 22 1HD1 ILE 22 -9.393 -0.038 -1.970 159 HD13 ILE 22 2HD1 ILE 22 -9.480 -1.629 -2.744 160 H GLY 23 H GLY 23 -9.291 4.285 -3.188 161 HA2 GLY 23 2HA GLY 23 -9.650 6.214 -4.452 162 HA3 GLY 23 1HA GLY 23 -11.389 6.022 -4.334 163 H ASP 24 H ASP 24 -10.210 5.587 -1.208 164 HA ASP 24 HA ASP 24 -10.789 8.348 -0.342 165 HB2 ASP 24 1HB ASP 24 -10.314 5.692 0.930 166 HB3 ASP 24 2HB ASP 24 -9.565 6.989 1.798 167 H THR 25 H THR 25 -8.859 9.168 1.416 168 HA THR 25 HA THR 25 -6.295 9.016 0.002 169 HB THR 25 HB THR 25 -6.362 11.370 1.317 170 HG1 THR 25 1HG THR 25 -8.959 11.122 0.259 171 HG21 THR 25 3HG2 THR 25 -5.630 11.102 -1.036 172 HG22 THR 25 1HG2 THR 25 -6.648 12.526 -0.825 173 HG23 THR 25 2HG2 THR 25 -7.336 11.057 -1.542 174 H VAL 26 H VAL 26 -4.420 9.129 1.388 175 HA VAL 26 HA VAL 26 -4.959 7.983 4.059 176 HB VAL 26 HB VAL 26 -2.755 7.090 3.947 177 HG11 VAL 26 1HG1 VAL 26 -4.667 6.068 2.661 178 HG12 VAL 26 2HG1 VAL 26 -3.911 6.718 1.188 179 HG13 VAL 26 3HG1 VAL 26 -3.053 5.548 2.202 180 HG21 VAL 26 3HG2 VAL 26 -1.497 8.933 2.856 181 HG22 VAL 26 1HG2 VAL 26 -1.166 7.357 2.166 182 HG23 VAL 26 2HG2 VAL 26 -2.228 8.492 1.308 183 HA PRO 27 HA PRO 27 -2.915 11.405 6.234 184 HB2 PRO 27 1HB PRO 27 -1.764 10.146 8.335 185 HB3 PRO 27 2HB PRO 27 -3.490 10.265 8.254 186 HG2 PRO 27 1HG PRO 27 -1.941 7.909 7.319 187 HG3 PRO 27 2HG PRO 27 -3.343 7.932 8.444 188 HD2 PRO 27 1HD PRO 27 -3.698 7.391 5.847 189 HD3 PRO 27 2HD PRO 27 -4.820 8.516 6.668 190 H ALA 28 H ALA 28 -0.753 12.182 6.648 191 HA ALA 28 HA ALA 28 1.144 11.426 4.674 192 HB1 ALA 28 1HB ALA 28 1.381 13.227 7.137 193 HB2 ALA 28 2HB ALA 28 2.530 13.182 5.793 194 HB3 ALA 28 3HB ALA 28 0.872 13.744 5.510 195 H MET 29 H MET 29 0.670 10.195 7.882 196 HA MET 29 HA MET 29 3.253 9.285 8.514 197 HB2 MET 29 1HB MET 29 2.048 7.355 9.682 198 HB3 MET 29 2HB MET 29 1.477 8.951 10.124 199 HG2 MET 29 1HG MET 29 -0.388 8.793 8.697 200 HG3 MET 29 2HG MET 29 0.029 7.162 8.282 201 HE1 MET 29 3HE MET 29 -0.222 9.349 11.713 202 HE2 MET 29 1HE MET 29 -1.720 9.576 10.774 203 HE3 MET 29 2HE MET 29 -1.754 8.674 12.303 204 H TYR 30 H TYR 30 1.153 8.178 5.986 205 HA TYR 30 HA TYR 30 2.948 5.820 5.569 206 HB2 TYR 30 1HB TYR 30 0.256 6.393 4.344 207 HB3 TYR 30 2HB TYR 30 1.136 4.864 4.397 208 HD1 TYR 30 1HD TYR 30 1.987 4.899 7.387 209 HD2 TYR 30 2HD TYR 30 -1.736 6.071 5.546 210 HE1 TYR 30 1HE TYR 30 0.803 4.382 9.438 211 HE2 TYR 30 2HE TYR 30 -2.946 5.419 7.582 212 HH TYR 30 HH TYR 30 -1.429 4.494 10.536 213 H LEU 31 H LEU 31 2.482 8.932 4.304 214 HA LEU 31 HA LEU 31 3.089 8.286 1.513 215 HB2 LEU 31 1HB LEU 31 2.665 10.809 3.155 216 HB3 LEU 31 2HB LEU 31 3.356 10.916 1.542 217 HG LEU 31 HG LEU 31 0.904 9.215 1.902 218 HD11 LEU 31 1HD1 LEU 31 -0.035 11.030 2.991 219 HD12 LEU 31 2HD1 LEU 31 -0.621 11.071 1.345 220 HD13 LEU 31 3HD1 LEU 31 0.673 12.199 1.837 221 HD21 LEU 31 3HD2 LEU 31 1.710 11.153 -0.321 222 HD22 LEU 31 1HD2 LEU 31 0.526 9.840 -0.422 223 HD23 LEU 31 2HD2 LEU 31 2.248 9.466 -0.276 224 H THR 32 H THR 32 4.890 8.749 4.390 225 HA THR 32 HA THR 32 7.391 9.598 3.297 226 HB THR 32 HB THR 32 6.722 9.796 5.652 227 HG1 THR 32 1HG THR 32 8.589 8.737 6.646 228 HG21 THR 32 3HG2 THR 32 6.746 6.788 5.699 229 HG22 THR 32 1HG2 THR 32 5.369 7.861 5.979 230 HG23 THR 32 2HG2 THR 32 6.673 7.796 7.149 231 HA PRO 33 HA PRO 33 8.784 5.710 1.514 232 HB2 PRO 33 1HB PRO 33 11.509 5.804 1.976 233 HB3 PRO 33 2HB PRO 33 10.646 6.682 0.686 234 HG2 PRO 33 1HG PRO 33 11.522 7.693 3.387 235 HG3 PRO 33 2HG PRO 33 11.671 8.503 1.792 236 HD2 PRO 33 1HD PRO 33 9.696 9.083 3.558 237 HD3 PRO 33 2HD PRO 33 9.384 9.096 1.806 238 H GLU 34 H GLU 34 8.976 6.353 4.856 239 HA GLU 34 HA GLU 34 10.420 4.163 5.835 240 HB2 GLU 34 1HB GLU 34 8.049 5.663 7.033 241 HB3 GLU 34 2HB GLU 34 9.030 4.548 7.943 242 HG2 GLU 34 1HG GLU 34 11.011 5.966 7.674 243 HG3 GLU 34 2HG GLU 34 10.170 7.013 6.543 244 H TYR 35 H TYR 35 7.286 4.077 4.374 245 HA TYR 35 HA TYR 35 6.888 1.250 5.320 246 HB2 TYR 35 1HB TYR 35 4.814 3.308 4.523 247 HB3 TYR 35 2HB TYR 35 4.523 1.647 5.020 248 HD1 TYR 35 1HD TYR 35 5.790 4.943 6.211 249 HD2 TYR 35 2HD TYR 35 4.348 1.054 7.337 250 HE1 TYR 35 1HE TYR 35 5.717 5.685 8.553 251 HE2 TYR 35 2HE TYR 35 4.183 1.802 9.688 252 HH TYR 35 HH TYR 35 5.009 5.129 10.725 253 H ASN 36 H ASN 36 7.747 3.035 2.597 254 HA ASN 36 HA ASN 36 6.058 2.037 0.652 255 HB2 ASN 36 1HB ASN 36 7.126 3.393 -0.699 256 HB3 ASN 36 2HB ASN 36 7.631 4.096 0.772 257 HD21 ASN 36 1HD2 ASN 36 8.795 4.106 -2.052 258 HD22 ASN 36 2HD2 ASN 36 10.480 3.700 -1.748 259 H ILE 37 H ILE 37 5.780 -0.030 0.106 260 HA ILE 37 HA ILE 37 7.916 -1.967 0.440 261 HB ILE 37 HB ILE 37 5.225 -2.529 -0.835 262 HG12 ILE 37 1HG1 ILE 37 4.819 -1.366 1.331 263 HG13 ILE 37 2HG1 ILE 37 4.250 -3.002 1.274 264 HG21 ILE 37 1HG2 ILE 37 6.786 -4.339 -1.090 265 HG22 ILE 37 2HG2 ILE 37 7.378 -4.189 0.578 266 HG23 ILE 37 3HG2 ILE 37 5.756 -4.796 0.264 267 HD11 ILE 37 3HD1 ILE 37 5.740 -1.989 3.315 268 HD12 ILE 37 1HD1 ILE 37 5.659 -3.718 2.908 269 HD13 ILE 37 2HD1 ILE 37 7.005 -2.724 2.343 270 H LYS 38 H LYS 38 9.421 -0.868 -1.038 271 HA LYS 38 HA LYS 38 8.904 -0.523 -3.736 272 HB2 LYS 38 1HB LYS 38 10.925 0.095 -2.034 273 HB3 LYS 38 2HB LYS 38 11.653 -1.336 -2.764 274 HG2 LYS 38 1HG LYS 38 12.383 0.521 -3.974 275 HG3 LYS 38 2HG LYS 38 11.202 -0.268 -5.026 276 HD2 LYS 38 1HD LYS 38 9.510 1.475 -3.939 277 HD3 LYS 38 2HD LYS 38 10.977 2.340 -3.470 278 HE2 LYS 38 1HE LYS 38 11.621 2.696 -5.730 279 HE3 LYS 38 2HE LYS 38 10.553 1.410 -6.320 280 HZ1 LYS 38 3HZ LYS 38 9.688 4.047 -5.313 281 HZ2 LYS 38 1HZ LYS 38 8.654 2.786 -5.681 282 HZ3 LYS 38 2HZ LYS 38 9.606 3.493 -6.825 283 H GLN 39 H GLN 39 9.674 -3.536 -2.107 284 HA GLN 39 HA GLN 39 10.387 -4.920 -4.613 285 HB2 GLN 39 1HB GLN 39 10.270 -5.725 -1.682 286 HB3 GLN 39 2HB GLN 39 10.824 -6.796 -2.976 287 HG2 GLN 39 1HG GLN 39 12.860 -5.808 -3.130 288 HG3 GLN 39 2HG GLN 39 12.238 -4.179 -2.919 289 HE21 GLN 39 1HE2 GLN 39 12.192 -7.132 -0.749 290 HE22 GLN 39 2HE2 GLN 39 12.914 -6.312 0.597 291 H TRP 40 H TRP 40 8.008 -4.389 -5.394 292 HA TRP 40 HA TRP 40 5.892 -5.831 -3.968 293 HB2 TRP 40 1HB TRP 40 4.561 -4.898 -5.975 294 HB3 TRP 40 2HB TRP 40 5.066 -3.845 -4.664 295 HD1 TRP 40 HD TRP 40 6.782 -1.928 -5.267 296 HE1 TRP 40 1HE TRP 40 7.587 -0.896 -7.474 297 HE3 TRP 40 3HE TRP 40 5.072 -5.503 -8.502 298 HZ2 TRP 40 2HZ TRP 40 7.326 -1.464 -10.312 299 HZ3 TRP 40 3HZ TRP 40 5.452 -5.286 -10.928 300 HH2 TRP 40 HH TRP 40 6.553 -3.278 -11.854 301 H GLN 41 H GLN 41 7.455 -6.114 -7.200 302 HA GLN 41 HA GLN 41 5.641 -7.932 -8.276 303 HB2 GLN 41 1HB GLN 41 7.761 -6.607 -9.209 304 HB3 GLN 41 2HB GLN 41 8.558 -8.150 -9.025 305 HG2 GLN 41 1HG GLN 41 5.946 -8.010 -10.549 306 HG3 GLN 41 2HG GLN 41 7.346 -7.292 -11.272 307 HE21 GLN 41 1HE2 GLN 41 9.374 -8.814 -11.426 308 HE22 GLN 41 2HE2 GLN 41 9.043 -10.500 -11.732 309 H GLN 42 H GLN 42 8.299 -8.573 -6.085 310 HA GLN 42 HA GLN 42 8.231 -11.472 -6.357 311 HB2 GLN 42 1HB GLN 42 9.686 -9.610 -4.417 312 HB3 GLN 42 2HB GLN 42 9.900 -11.367 -4.478 313 HG2 GLN 42 1HG GLN 42 10.528 -11.193 -6.886 314 HG3 GLN 42 2HG GLN 42 10.492 -9.450 -6.741 315 HE21 GLN 42 1HE2 GLN 42 12.463 -8.401 -5.988 316 HE22 GLN 42 2HE2 GLN 42 13.836 -9.480 -5.843 317 H ARG 43 H ARG 43 5.706 -9.887 -5.314 318 HA ARG 43 HA ARG 43 5.281 -11.570 -2.867 319 HB2 ARG 43 1HB ARG 43 4.343 -8.708 -3.303 320 HB3 ARG 43 2HB ARG 43 4.085 -9.712 -1.865 321 HG2 ARG 43 1HG ARG 43 6.519 -9.787 -1.476 322 HG3 ARG 43 2HG ARG 43 6.778 -8.713 -2.852 323 HD2 ARG 43 1HD ARG 43 6.079 -6.848 -1.720 324 HD3 ARG 43 2HD ARG 43 4.736 -7.699 -0.968 325 HE ARG 43 HE ARG 43 5.881 -7.852 0.899 326 HH11 ARG 43 1HH1 ARG 43 8.351 -7.660 -1.645 327 HH12 ARG 43 2HH1 ARG 43 9.677 -8.083 -0.600 328 HH21 ARG 43 1HH2 ARG 43 7.596 -7.782 2.305 329 HH22 ARG 43 2HH2 ARG 43 9.248 -7.776 1.807 330 H ASN 44 H ASN 44 4.416 -12.016 -5.731 331 HA ASN 44 HA ASN 44 2.640 -12.528 -7.010 332 HB2 ASN 44 1HB ASN 44 1.430 -13.182 -4.314 333 HB3 ASN 44 2HB ASN 44 0.504 -13.344 -5.789 334 HD21 ASN 44 1HD2 ASN 44 3.213 -14.619 -4.003 335 HD22 ASN 44 2HD2 ASN 44 3.274 -16.117 -4.861 336 H LEU 45 H LEU 45 2.723 -9.614 -5.636 337 HA LEU 45 HA LEU 45 -0.065 -8.836 -6.169 338 HB2 LEU 45 1HB LEU 45 2.402 -7.414 -5.128 339 HB3 LEU 45 2HB LEU 45 0.908 -6.557 -5.522 340 HG LEU 45 HG LEU 45 0.461 -8.920 -3.785 341 HD11 LEU 45 1HD1 LEU 45 2.194 -8.492 -2.439 342 HD12 LEU 45 2HD1 LEU 45 1.154 -7.230 -1.807 343 HD13 LEU 45 3HD1 LEU 45 2.417 -6.826 -2.991 344 HD21 LEU 45 3HD2 LEU 45 -1.341 -7.393 -4.381 345 HD22 LEU 45 1HD2 LEU 45 -0.450 -6.005 -3.725 346 HD23 LEU 45 2HD2 LEU 45 -1.021 -7.299 -2.653 347 HA PRO 46 HA PRO 46 0.975 -6.867 -10.143 348 HB2 PRO 46 1HB PRO 46 -0.738 -4.662 -10.070 349 HB3 PRO 46 2HB PRO 46 -1.358 -6.256 -10.426 350 HG2 PRO 46 1HG PRO 46 -1.288 -4.799 -7.893 351 HG3 PRO 46 2HG PRO 46 -2.603 -5.902 -8.513 352 HD2 PRO 46 1HD PRO 46 -0.908 -6.436 -6.541 353 HD3 PRO 46 2HD PRO 46 -1.565 -7.720 -7.617 354 H ALA 47 H ALA 47 1.751 -4.873 -11.018 355 HA ALA 47 HA ALA 47 3.596 -3.276 -9.662 356 HB1 ALA 47 1HB ALA 47 3.540 -3.561 -12.102 357 HB2 ALA 47 2HB ALA 47 1.952 -2.764 -12.188 358 HB3 ALA 47 3HB ALA 47 3.389 -1.840 -11.739 359 HA PRO 48 HA PRO 48 1.003 0.195 -8.173 360 HB2 PRO 48 1HB PRO 48 2.708 2.311 -8.402 361 HB3 PRO 48 2HB PRO 48 2.967 1.018 -7.204 362 HG2 PRO 48 1HG PRO 48 4.207 1.251 -9.961 363 HG3 PRO 48 2HG PRO 48 5.051 1.020 -8.392 364 HD2 PRO 48 1HD PRO 48 4.432 -1.066 -10.014 365 HD3 PRO 48 2HD PRO 48 4.314 -1.220 -8.237 366 H ASP 49 H ASP 49 1.080 2.750 -9.300 367 HA ASP 49 HA ASP 49 0.490 2.522 -12.191 368 HB2 ASP 49 1HB ASP 49 -0.722 4.390 -10.106 369 HB3 ASP 49 2HB ASP 49 -0.588 4.850 -11.773 370 H ALA 50 H ALA 50 1.053 5.213 -12.761 371 HA ALA 50 HA ALA 50 3.973 5.302 -12.412 372 HB1 ALA 50 1HB ALA 50 2.996 5.712 -14.611 373 HB2 ALA 50 2HB ALA 50 2.034 7.068 -13.963 374 HB3 ALA 50 3HB ALA 50 3.803 7.185 -14.000 375 H GLY 51 H GLY 51 4.649 6.107 -10.424 376 HA2 GLY 51 2HA GLY 51 5.039 7.779 -8.851 377 HA3 GLY 51 1HA GLY 51 3.827 8.817 -9.616 378 H SER 52 H SER 52 3.604 5.431 -8.384 379 HA SER 52 HA SER 52 2.335 6.329 -5.974 380 HB2 SER 52 1HB SER 52 0.539 4.493 -6.221 381 HB3 SER 52 2HB SER 52 0.277 5.998 -7.092 382 HG SER 52 HG SER 52 -0.151 4.328 -8.429 383 H HIS 53 H HIS 53 2.234 4.444 -4.429 384 HA HIS 53 HA HIS 53 3.994 2.207 -5.124 385 HB2 HIS 53 1HB HIS 53 5.552 2.736 -3.283 386 HB3 HIS 53 2HB HIS 53 5.537 3.938 -4.567 387 HD1 HIS 53 1HD HIS 53 4.611 6.442 -3.865 388 HD2 HIS 53 2HD HIS 53 4.795 3.464 -0.853 389 HE1 HIS 53 1HE HIS 53 4.598 7.646 -1.611 390 H TRP 54 H TRP 54 3.817 0.488 -3.762 391 HA TRP 54 HA TRP 54 1.417 0.360 -2.128 392 HB2 TRP 54 1HB TRP 54 3.610 -1.672 -2.665 393 HB3 TRP 54 2HB TRP 54 2.140 -1.957 -1.762 394 HD1 TRP 54 HD TRP 54 3.285 -1.550 -5.398 395 HE1 TRP 54 1HE TRP 54 1.349 -2.361 -6.952 396 HE3 TRP 54 3HE TRP 54 -0.464 -2.005 -1.946 397 HZ2 TRP 54 2HZ TRP 54 -1.426 -3.088 -6.695 398 HZ3 TRP 54 3HZ TRP 54 -2.768 -2.605 -2.654 399 HH2 TRP 54 HH TRP 54 -3.256 -3.060 -5.077 400 H THR 55 H THR 55 1.400 0.086 0.110 401 HA THR 55 HA THR 55 3.766 0.758 1.738 402 HB THR 55 HB THR 55 2.198 2.313 2.979 403 HG1 THR 55 1HG THR 55 0.600 1.868 0.655 404 HG21 THR 55 3HG2 THR 55 2.674 3.099 0.098 405 HG22 THR 55 1HG2 THR 55 3.873 3.220 1.422 406 HG23 THR 55 2HG2 THR 55 2.381 4.168 1.478 407 H TYR 56 H TYR 56 3.075 0.413 4.172 408 HA TYR 56 HA TYR 56 1.534 -2.140 4.247 409 HB2 TYR 56 1HB TYR 56 3.956 -2.282 4.456 410 HB3 TYR 56 2HB TYR 56 3.936 -1.195 5.839 411 HD1 TYR 56 2HD TYR 56 1.791 -4.142 4.918 412 HD2 TYR 56 1HD TYR 56 4.734 -2.523 7.587 413 HE1 TYR 56 2HE TYR 56 1.724 -6.250 6.181 414 HE2 TYR 56 1HE TYR 56 4.763 -4.626 8.858 415 HH TYR 56 HH TYR 56 3.633 -6.622 9.269 416 H MET 57 H MET 57 -0.442 -1.132 4.699 417 HA MET 57 HA MET 57 -0.746 0.666 7.040 418 HB2 MET 57 1HB MET 57 -2.188 0.132 4.502 419 HB3 MET 57 2HB MET 57 -3.241 0.424 5.870 420 HG2 MET 57 1HG MET 57 -2.953 2.479 4.871 421 HG3 MET 57 2HG MET 57 -2.001 2.537 6.351 422 HE1 MET 57 3HE MET 57 -2.007 3.434 2.668 423 HE2 MET 57 1HE MET 57 -1.818 4.588 3.984 424 HE3 MET 57 2HE MET 57 -0.496 4.339 2.813 425 H GLY 58 H GLY 58 -0.712 -0.687 8.863 426 HA2 GLY 58 2HA GLY 58 -1.774 -1.983 10.440 427 HA3 GLY 58 1HA GLY 58 -3.205 -1.927 9.425 428 H GLY 59 H GLY 59 -0.555 -3.318 7.775 429 HA2 GLY 59 2HA GLY 59 0.052 -5.722 7.741 430 HA3 GLY 59 1HA GLY 59 -1.587 -6.078 8.276 431 H ASN 60 H ASN 60 -2.395 -3.675 6.334 432 HA ASN 60 HA ASN 60 -2.938 -5.457 4.058 433 HB2 ASN 60 1HB ASN 60 -3.865 -2.590 4.511 434 HB3 ASN 60 2HB ASN 60 -4.486 -3.754 3.342 435 HD21 ASN 60 1HD2 ASN 60 -4.753 -2.573 6.559 436 HD22 ASN 60 2HD2 ASN 60 -5.911 -3.741 7.168 437 H TYR 61 H TYR 61 -2.139 -5.057 2.011 438 HA TYR 61 HA TYR 61 0.123 -3.202 1.692 439 HB2 TYR 61 1HB TYR 61 -1.086 -5.387 -0.046 440 HB3 TYR 61 2HB TYR 61 0.046 -4.202 -0.667 441 HD1 TYR 61 2HD TYR 61 2.192 -3.852 1.041 442 HD2 TYR 61 1HD TYR 61 -0.099 -7.465 0.528 443 HE1 TYR 61 2HE TYR 61 4.118 -5.192 1.860 444 HE2 TYR 61 1HE TYR 61 1.810 -8.798 1.332 445 HH TYR 61 HH TYR 61 4.785 -7.311 2.601 446 H VAL 62 H VAL 62 -0.505 -1.124 1.268 447 HA VAL 62 HA VAL 62 -3.042 -0.670 -0.264 448 HB VAL 62 HB VAL 62 -1.741 0.752 2.080 449 HG11 VAL 62 1HG1 VAL 62 -3.739 2.267 1.999 450 HG12 VAL 62 2HG1 VAL 62 -2.569 2.513 0.689 451 HG13 VAL 62 3HG1 VAL 62 -4.086 1.637 0.368 452 HG21 VAL 62 3HG2 VAL 62 -3.120 -1.246 2.624 453 HG22 VAL 62 1HG2 VAL 62 -3.915 0.236 3.156 454 HG23 VAL 62 2HG2 VAL 62 -4.470 -0.557 1.698 455 H LEU 63 H LEU 63 -2.885 0.423 -2.170 456 HA LEU 63 HA LEU 63 -0.207 1.393 -3.010 457 HB2 LEU 63 1HB LEU 63 -1.396 -0.125 -4.527 458 HB3 LEU 63 2HB LEU 63 -2.784 0.943 -4.557 459 HG LEU 63 HG LEU 63 -1.450 2.684 -5.676 460 HD11 LEU 63 1HD1 LEU 63 0.821 2.132 -6.587 461 HD12 LEU 63 2HD1 LEU 63 0.868 0.737 -5.480 462 HD13 LEU 63 3HD1 LEU 63 0.747 2.400 -4.864 463 HD21 LEU 63 3HD2 LEU 63 -1.183 1.546 -7.845 464 HD22 LEU 63 1HD2 LEU 63 -2.633 0.964 -7.019 465 HD23 LEU 63 2HD2 LEU 63 -1.166 -0.038 -7.028 466 H ILE 64 H ILE 64 0.196 3.510 -2.486 467 HA ILE 64 HA ILE 64 -2.092 5.408 -2.618 468 HB ILE 64 HB ILE 64 -0.818 6.822 -1.114 469 HG12 ILE 64 1HG1 ILE 64 1.071 4.505 -0.595 470 HG13 ILE 64 2HG1 ILE 64 1.501 5.809 -1.699 471 HG21 ILE 64 1HG2 ILE 64 -1.238 4.015 -0.051 472 HG22 ILE 64 2HG2 ILE 64 -1.272 5.508 0.885 473 HG23 ILE 64 3HG2 ILE 64 -2.532 5.220 -0.332 474 HD11 ILE 64 3HD1 ILE 64 2.429 6.323 0.450 475 HD12 ILE 64 1HD1 ILE 64 1.136 7.472 0.086 476 HD13 ILE 64 2HD1 ILE 64 0.860 6.158 1.250 477 H THR 65 H THR 65 -1.759 7.456 -3.662 478 HA THR 65 HA THR 65 0.259 7.509 -5.746 479 HB THR 65 HB THR 65 -0.957 10.034 -5.429 480 HG1 THR 65 1HG THR 65 -2.949 8.031 -5.189 481 HG21 THR 65 3HG2 THR 65 -2.311 9.266 -7.413 482 HG22 THR 65 1HG2 THR 65 -1.681 7.631 -7.124 483 HG23 THR 65 2HG2 THR 65 -0.563 8.963 -7.559 484 H ASP 66 H ASP 66 2.170 8.595 -5.700 485 HA ASP 66 HA ASP 66 3.241 9.714 -3.275 486 HB2 ASP 66 1HB ASP 66 3.966 9.930 -6.229 487 HB3 ASP 66 2HB ASP 66 4.892 10.700 -4.951 488 H THR 67 H THR 67 1.032 10.892 -5.628 489 HA THR 67 HA THR 67 1.801 13.673 -5.592 490 HB THR 67 HB THR 67 0.179 13.670 -7.485 491 HG1 THR 67 1HG THR 67 -0.706 11.550 -8.022 492 HG21 THR 67 3HG2 THR 67 1.857 11.117 -7.685 493 HG22 THR 67 1HG2 THR 67 2.543 12.757 -7.863 494 HG23 THR 67 2HG2 THR 67 1.312 12.168 -8.998 495 H GLU 68 H GLU 68 -0.208 11.946 -3.567 496 HA GLU 68 HA GLU 68 -2.245 13.954 -2.965 497 HB2 GLU 68 1HB GLU 68 -2.948 13.305 -5.243 498 HB3 GLU 68 2HB GLU 68 -2.784 11.605 -4.838 499 HG2 GLU 68 1HG GLU 68 -5.001 11.794 -4.780 500 HG3 GLU 68 2HG GLU 68 -4.706 12.132 -3.087 501 H GLY 69 H GLY 69 -1.311 10.476 -3.144 502 HA2 GLY 69 2HA GLY 69 -1.375 8.831 -1.585 503 HA3 GLY 69 1HA GLY 69 -1.881 9.986 -0.365 504 H LYS 70 H LYS 70 -3.612 9.516 -3.447 505 HA LYS 70 HA LYS 70 -6.034 8.643 -2.119 506 HB2 LYS 70 1HB LYS 70 -5.223 9.194 -4.939 507 HB3 LYS 70 2HB LYS 70 -6.208 7.758 -4.737 508 HG2 LYS 70 1HG LYS 70 -7.614 9.534 -3.164 509 HG3 LYS 70 2HG LYS 70 -6.926 10.601 -4.379 510 HD2 LYS 70 1HD LYS 70 -8.667 8.138 -4.793 511 HD3 LYS 70 2HD LYS 70 -9.181 9.809 -4.990 512 HE2 LYS 70 1HE LYS 70 -7.099 8.370 -6.689 513 HE3 LYS 70 2HE LYS 70 -8.781 8.623 -7.151 514 HZ1 LYS 70 3HZ LYS 70 -8.423 10.902 -7.397 515 HZ2 LYS 70 1HZ LYS 70 -7.022 10.249 -7.958 516 HZ3 LYS 70 2HZ LYS 70 -7.082 10.939 -6.478 517 H ILE 71 H ILE 71 -6.557 6.687 -1.671 518 HA ILE 71 HA ILE 71 -4.830 4.371 -1.771 519 HB ILE 71 HB ILE 71 -7.798 4.736 -1.083 520 HG12 ILE 71 1HG1 ILE 71 -5.277 4.707 0.663 521 HG13 ILE 71 2HG1 ILE 71 -6.323 6.094 0.369 522 HG21 ILE 71 1HG2 ILE 71 -7.624 2.578 0.087 523 HG22 ILE 71 2HG2 ILE 71 -7.269 2.384 -1.620 524 HG23 ILE 71 3HG2 ILE 71 -5.937 2.410 -0.450 525 HD11 ILE 71 3HD1 ILE 71 -6.890 5.371 2.494 526 HD12 ILE 71 1HD1 ILE 71 -8.207 4.790 1.458 527 HD13 ILE 71 2HD1 ILE 71 -6.941 3.663 2.021 528 H LEU 72 H LEU 72 -4.367 4.204 -3.974 529 HA LEU 72 HA LEU 72 -6.388 4.216 -6.035 530 HB2 LEU 72 1HB LEU 72 -3.658 2.884 -6.048 531 HB3 LEU 72 2HB LEU 72 -4.677 3.155 -7.447 532 HG LEU 72 HG LEU 72 -3.219 5.260 -5.811 533 HD11 LEU 72 1HD1 LEU 72 -2.087 5.658 -7.999 534 HD12 LEU 72 2HD1 LEU 72 -3.015 4.327 -8.707 535 HD13 LEU 72 3HD1 LEU 72 -1.855 4.005 -7.408 536 HD21 LEU 72 3HD2 LEU 72 -5.186 5.670 -8.107 537 HD22 LEU 72 1HD2 LEU 72 -4.093 6.920 -7.470 538 HD23 LEU 72 2HD2 LEU 72 -5.363 6.248 -6.444 539 H LYS 73 H LYS 73 -4.835 1.601 -4.084 540 HA LYS 73 HA LYS 73 -7.028 -0.234 -4.659 541 HB2 LYS 73 1HB LYS 73 -4.181 -0.796 -5.601 542 HB3 LYS 73 2HB LYS 73 -5.441 -2.025 -5.407 543 HG2 LYS 73 1HG LYS 73 -6.887 -0.725 -7.015 544 HG3 LYS 73 2HG LYS 73 -5.493 0.318 -7.354 545 HD2 LYS 73 1HD LYS 73 -5.457 -2.689 -7.609 546 HD3 LYS 73 2HD LYS 73 -5.908 -1.686 -8.921 547 HE2 LYS 73 1HE LYS 73 -3.230 -1.240 -7.607 548 HE3 LYS 73 2HE LYS 73 -3.474 -2.480 -8.854 549 HZ1 LYS 73 3HZ LYS 73 -4.247 -0.790 -10.333 550 HZ2 LYS 73 1HZ LYS 73 -2.734 -0.465 -9.854 551 HZ3 LYS 73 2HZ LYS 73 -4.024 0.435 -9.261 552 H VAL 74 H VAL 74 -6.762 -2.296 -3.237 553 HA VAL 74 HA VAL 74 -4.659 -2.110 -1.208 554 HB VAL 74 HB VAL 74 -7.619 -2.473 -0.603 555 HG11 VAL 74 1HG1 VAL 74 -6.781 -2.343 1.820 556 HG12 VAL 74 2HG1 VAL 74 -6.381 -3.814 0.948 557 HG13 VAL 74 3HG1 VAL 74 -5.140 -2.581 1.170 558 HG21 VAL 74 3HG2 VAL 74 -5.799 -0.103 -0.018 559 HG22 VAL 74 1HG2 VAL 74 -7.279 -0.126 -0.995 560 HG23 VAL 74 2HG2 VAL 74 -7.390 -0.363 0.736 561 H TYR 75 H TYR 75 -4.058 -4.174 -0.503 562 HA TYR 75 HA TYR 75 -5.706 -6.469 -1.140 563 HB2 TYR 75 1HB TYR 75 -2.837 -6.100 -2.023 564 HB3 TYR 75 2HB TYR 75 -3.442 -7.699 -1.614 565 HD1 TYR 75 2HD TYR 75 -3.800 -4.906 -4.026 566 HD2 TYR 75 1HD TYR 75 -5.018 -8.873 -2.996 567 HE1 TYR 75 2HE TYR 75 -4.855 -5.179 -6.290 568 HE2 TYR 75 1HE TYR 75 -6.051 -9.157 -5.209 569 HH TYR 75 HH TYR 75 -6.160 -6.564 -7.682 570 H ASP 76 H ASP 76 -5.202 -8.189 0.505 571 HA ASP 76 HA ASP 76 -4.236 -7.109 3.030 572 HB2 ASP 76 1HB ASP 76 -6.052 -8.823 2.736 573 HB3 ASP 76 2HB ASP 76 -4.806 -9.996 2.302 574 H GLY 77 H GLY 77 -2.439 -8.090 4.252 575 HA2 GLY 77 2HA GLY 77 0.171 -8.239 3.019 576 HA3 GLY 77 1HA GLY 77 -0.272 -8.660 4.639 577 H GLU 78 H GLU 78 -2.290 -10.637 3.855 578 HA GLU 78 HA GLU 78 -0.646 -12.865 4.105 579 HB2 GLU 78 1HB GLU 78 -3.575 -12.709 3.254 580 HB3 GLU 78 2HB GLU 78 -2.735 -14.174 3.795 581 HG2 GLU 78 1HG GLU 78 -2.061 -12.759 5.874 582 HG3 GLU 78 2HG GLU 78 -3.308 -11.644 5.398 583 H ILE 79 H ILE 79 -1.555 -11.282 1.166 584 HA ILE 79 HA ILE 79 -1.177 -13.400 -0.666 585 HB ILE 79 HB ILE 79 -2.218 -11.150 -1.033 586 HG12 ILE 79 1HG1 ILE 79 -0.066 -11.759 -3.078 587 HG13 ILE 79 2HG1 ILE 79 -1.485 -12.784 -2.847 588 HG21 ILE 79 1HG2 ILE 79 -0.930 -9.200 -1.434 589 HG22 ILE 79 2HG2 ILE 79 -0.241 -9.874 0.037 590 HG23 ILE 79 3HG2 ILE 79 0.604 -10.104 -1.498 591 HD11 ILE 79 3HD1 ILE 79 -1.770 -11.168 -4.696 592 HD12 ILE 79 1HD1 ILE 79 -2.993 -10.975 -3.419 593 HD13 ILE 79 2HD1 ILE 79 -1.649 -9.827 -3.554 594 H PHE 80 H PHE 80 1.134 -11.701 1.348 595 HA PHE 80 HA PHE 80 3.482 -12.122 -0.214 596 HB2 PHE 80 1HB PHE 80 3.192 -10.510 1.723 597 HB3 PHE 80 2HB PHE 80 3.170 -11.891 2.801 598 HD1 PHE 80 1HD PHE 80 5.467 -11.301 -0.151 599 HD2 PHE 80 2HD PHE 80 5.087 -11.617 4.130 600 HE1 PHE 80 1HE PHE 80 7.925 -11.266 0.064 601 HE2 PHE 80 2HE PHE 80 7.560 -11.600 4.336 602 HZ PHE 80 HZ PHE 80 8.985 -11.409 2.314 603 H TYR 81 H TYR 81 1.467 -14.425 1.286 604 HA TYR 81 HA TYR 81 3.649 -16.451 1.277 605 HB2 TYR 81 1HB TYR 81 1.055 -16.476 2.854 606 HB3 TYR 81 2HB TYR 81 2.381 -17.633 2.970 607 HD1 TYR 81 2HD TYR 81 4.641 -16.855 3.836 608 HD2 TYR 81 1HD TYR 81 1.137 -14.361 4.036 609 HE1 TYR 81 2HE TYR 81 5.840 -15.295 5.334 610 HE2 TYR 81 1HE TYR 81 2.326 -12.808 5.548 611 HH TYR 81 HH TYR 81 4.276 -12.686 7.061 612 H HIS 82 H HIS 82 1.274 -15.354 -0.697 613 HA HIS 82 HA HIS 82 -0.202 -17.767 -1.356 614 HB2 HIS 82 1HB HIS 82 -1.128 -15.457 -1.440 615 HB3 HIS 82 2HB HIS 82 0.089 -15.019 -2.644 616 HD1 HIS 82 1HD HIS 82 -2.175 -18.195 -2.984 617 HD2 HIS 82 2HD HIS 82 -1.380 -14.379 -4.619 618 HE1 HIS 82 1HE HIS 82 -3.611 -17.975 -5.035 619 H ARG 83 H ARG 83 -0.132 -18.559 -3.753 620 HA ARG 83 HA ARG 83 2.312 -18.354 -5.246 621 HB2 ARG 83 1HB ARG 83 1.111 -20.799 -3.856 622 HB3 ARG 83 2HB ARG 83 2.148 -20.891 -5.254 623 HG2 ARG 83 1HG ARG 83 4.034 -19.935 -3.966 624 HG3 ARG 83 2HG ARG 83 2.965 -19.740 -2.549 625 HD2 ARG 83 1HD ARG 83 2.475 -22.178 -2.615 626 HD3 ARG 83 2HD ARG 83 3.665 -22.370 -3.914 627 HE ARG 83 HE ARG 83 5.138 -21.129 -2.035 628 HH11 ARG 83 1HH1 ARG 83 2.914 -23.930 -1.714 629 HH12 ARG 83 2HH1 ARG 83 3.866 -24.632 -0.427 630 HH21 ARG 83 1HH2 ARG 83 6.409 -22.256 -0.436 631 HH22 ARG 83 2HH2 ARG 83 5.745 -23.702 0.310 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.789 -21.225 -5.075 2 HA2 GLY 1 2HA GLY 1 -11.803 -21.114 -7.565 3 HA3 GLY 1 1HA GLY 1 -12.813 -19.667 -7.382 4 H ALA 2 H ALA 2 -11.377 -18.157 -8.237 5 HA ALA 2 HA ALA 2 -9.812 -16.563 -8.196 6 HB1 ALA 2 1HB ALA 2 -10.669 -16.636 -5.292 7 HB2 ALA 2 2HB ALA 2 -10.105 -15.221 -6.208 8 HB3 ALA 2 3HB ALA 2 -11.624 -15.996 -6.653 9 H ALA 3 H ALA 3 -8.238 -19.058 -7.832 10 HA ALA 3 HA ALA 3 -6.313 -18.589 -5.737 11 HB1 ALA 3 1HB ALA 3 -6.297 -20.529 -8.085 12 HB2 ALA 3 2HB ALA 3 -5.115 -20.509 -6.769 13 HB3 ALA 3 3HB ALA 3 -6.814 -20.859 -6.414 14 H GLY 4 H GLY 4 -5.840 -16.363 -6.320 15 HA2 GLY 4 2HA GLY 4 -3.314 -16.092 -7.728 16 HA3 GLY 4 1HA GLY 4 -4.674 -15.231 -8.506 17 H ILE 5 H ILE 5 -5.156 -13.274 -7.735 18 HA ILE 5 HA ILE 5 -4.266 -12.605 -4.973 19 HB ILE 5 HB ILE 5 -3.669 -10.399 -5.681 20 HG12 ILE 5 1HG1 ILE 5 -4.423 -11.085 -8.537 21 HG13 ILE 5 2HG1 ILE 5 -5.400 -10.094 -7.453 22 HG21 ILE 5 1HG2 ILE 5 -1.693 -10.847 -7.054 23 HG22 ILE 5 2HG2 ILE 5 -1.939 -12.176 -5.946 24 HG23 ILE 5 3HG2 ILE 5 -2.390 -12.358 -7.649 25 HD11 ILE 5 3HD1 ILE 5 -2.628 -9.410 -8.455 26 HD12 ILE 5 1HD1 ILE 5 -4.161 -8.603 -8.801 27 HD13 ILE 5 2HD1 ILE 5 -3.489 -8.534 -7.159 28 H ASP 6 H ASP 6 -6.922 -12.667 -7.153 29 HA ASP 6 HA ASP 6 -8.243 -10.313 -6.254 30 HB2 ASP 6 1HB ASP 6 -8.513 -11.769 -8.358 31 HB3 ASP 6 2HB ASP 6 -9.615 -12.757 -7.400 32 H GLN 7 H GLN 7 -8.012 -13.527 -4.917 33 HA GLN 7 HA GLN 7 -10.237 -13.475 -3.134 34 HB2 GLN 7 1HB GLN 7 -9.087 -15.374 -2.136 35 HB3 GLN 7 2HB GLN 7 -8.928 -15.411 -3.895 36 HG2 GLN 7 1HG GLN 7 -6.617 -14.297 -3.511 37 HG3 GLN 7 2HG GLN 7 -6.811 -14.830 -1.837 38 HE21 GLN 7 1HE2 GLN 7 -4.911 -15.734 -4.106 39 HE22 GLN 7 2HE2 GLN 7 -5.232 -17.432 -4.212 40 H TYR 8 H TYR 8 -7.112 -11.824 -3.030 41 HA TYR 8 HA TYR 8 -7.464 -11.097 -0.171 42 HB2 TYR 8 1HB TYR 8 -5.133 -10.532 -2.018 43 HB3 TYR 8 2HB TYR 8 -5.173 -10.358 -0.269 44 HD1 TYR 8 2HD TYR 8 -5.732 -12.570 1.068 45 HD2 TYR 8 1HD TYR 8 -4.203 -12.436 -2.942 46 HE1 TYR 8 2HE TYR 8 -4.914 -14.904 1.316 47 HE2 TYR 8 1HE TYR 8 -3.428 -14.808 -2.728 48 HH TYR 8 HH TYR 8 -2.951 -16.331 0.122 49 H ALA 9 H ALA 9 -8.590 -9.951 -3.098 50 HA ALA 9 HA ALA 9 -7.790 -7.181 -2.950 51 HB1 ALA 9 1HB ALA 9 -9.476 -6.844 -4.668 52 HB2 ALA 9 2HB ALA 9 -8.539 -8.293 -5.059 53 HB3 ALA 9 3HB ALA 9 -10.175 -8.448 -4.374 54 H LEU 10 H LEU 10 -8.228 -6.179 -1.067 55 HA LEU 10 HA LEU 10 -10.906 -6.383 0.206 56 HB2 LEU 10 1HB LEU 10 -8.475 -4.703 0.885 57 HB3 LEU 10 2HB LEU 10 -9.960 -4.750 1.823 58 HG LEU 10 HG LEU 10 -8.053 -7.097 1.421 59 HD11 LEU 10 1HD1 LEU 10 -7.061 -5.359 2.831 60 HD12 LEU 10 2HD1 LEU 10 -7.516 -6.752 3.821 61 HD13 LEU 10 3HD1 LEU 10 -8.535 -5.301 3.835 62 HD21 LEU 10 3HD2 LEU 10 -10.514 -6.850 3.205 63 HD22 LEU 10 1HD2 LEU 10 -9.362 -8.198 3.209 64 HD23 LEU 10 2HD2 LEU 10 -10.354 -7.908 1.780 65 H LYS 11 H LYS 11 -12.331 -4.528 0.194 66 HA LYS 11 HA LYS 11 -11.801 -2.516 -1.938 67 HB2 LYS 11 1HB LYS 11 -14.254 -3.363 -0.365 68 HB3 LYS 11 2HB LYS 11 -14.246 -2.028 -1.511 69 HG2 LYS 11 1HG LYS 11 -13.652 -3.536 -3.345 70 HG3 LYS 11 2HG LYS 11 -13.660 -4.917 -2.249 71 HD2 LYS 11 1HD LYS 11 -16.013 -3.093 -2.798 72 HD3 LYS 11 2HD LYS 11 -15.802 -4.678 -3.552 73 HE2 LYS 11 1HE LYS 11 -16.050 -4.182 -0.544 74 HE3 LYS 11 2HE LYS 11 -17.411 -4.573 -1.561 75 HZ1 LYS 11 3HZ LYS 11 -16.383 -6.438 -0.341 76 HZ2 LYS 11 1HZ LYS 11 -15.071 -6.366 -1.305 77 HZ3 LYS 11 2HZ LYS 11 -16.544 -6.744 -1.937 78 H GLU 12 H GLU 12 -11.601 -2.907 1.473 79 HA GLU 12 HA GLU 12 -11.670 -0.171 2.279 80 HB2 GLU 12 1HB GLU 12 -13.828 -0.481 3.527 81 HB3 GLU 12 2HB GLU 12 -14.041 -0.442 1.801 82 HG2 GLU 12 1HG GLU 12 -13.864 -3.104 2.066 83 HG3 GLU 12 2HG GLU 12 -14.235 -2.760 3.735 84 H PHE 13 H PHE 13 -11.474 -0.158 4.634 85 HA PHE 13 HA PHE 13 -11.134 -2.487 6.209 86 HB2 PHE 13 1HB PHE 13 -8.713 -2.579 6.461 87 HB3 PHE 13 2HB PHE 13 -9.100 -2.879 4.794 88 HD1 PHE 13 1HD PHE 13 -8.880 -0.899 3.101 89 HD2 PHE 13 2HD PHE 13 -7.216 -0.853 7.076 90 HE1 PHE 13 1HE PHE 13 -7.407 1.012 2.480 91 HE2 PHE 13 2HE PHE 13 -5.775 1.044 6.461 92 HZ PHE 13 HZ PHE 13 -5.923 2.014 4.163 93 H THR 14 H THR 14 -9.604 -1.767 8.218 94 HA THR 14 HA THR 14 -9.869 1.102 8.784 95 HB THR 14 HB THR 14 -10.047 -0.960 10.988 96 HG1 THR 14 1HG THR 14 -12.465 0.072 10.174 97 HG21 THR 14 3HG2 THR 14 -11.264 0.858 12.145 98 HG22 THR 14 1HG2 THR 14 -11.148 1.871 10.683 99 HG23 THR 14 2HG2 THR 14 -9.679 1.404 11.571 100 H ALA 15 H ALA 15 -7.865 1.915 9.532 101 HA ALA 15 HA ALA 15 -5.931 0.041 10.745 102 HB1 ALA 15 1HB ALA 15 -5.011 0.434 8.417 103 HB2 ALA 15 2HB ALA 15 -5.087 2.175 8.711 104 HB3 ALA 15 3HB ALA 15 -4.015 1.159 9.681 105 H ASP 16 H ASP 16 -5.081 1.077 12.657 106 HA ASP 16 HA ASP 16 -4.870 2.692 14.268 107 HB2 ASP 16 1HB ASP 16 -3.797 3.419 11.829 108 HB3 ASP 16 2HB ASP 16 -4.677 4.876 12.250 109 H PHE 17 H PHE 17 -7.487 2.072 13.622 110 HA PHE 17 HA PHE 17 -9.657 2.582 13.855 111 HB2 PHE 17 1HB PHE 17 -8.822 5.060 15.376 112 HB3 PHE 17 2HB PHE 17 -10.312 4.155 15.541 113 HD1 PHE 17 2HD PHE 17 -10.254 1.814 16.561 114 HD2 PHE 17 1HD PHE 17 -6.799 4.390 16.478 115 HE1 PHE 17 2HE PHE 17 -9.135 0.363 18.208 116 HE2 PHE 17 1HE PHE 17 -5.696 2.956 18.165 117 HZ PHE 17 HZ PHE 17 -6.802 0.926 18.992 118 H THR 18 H THR 18 -8.077 3.905 11.651 119 HA THR 18 HA THR 18 -9.920 6.116 10.903 120 HB THR 18 HB THR 18 -7.257 5.318 9.681 121 HG1 THR 18 1HG THR 18 -7.381 6.003 12.053 122 HG21 THR 18 3HG2 THR 18 -8.705 6.832 8.314 123 HG22 THR 18 1HG2 THR 18 -7.202 7.607 8.842 124 HG23 THR 18 2HG2 THR 18 -8.725 7.983 9.666 125 H GLN 19 H GLN 19 -11.196 5.848 9.155 126 HA GLN 19 HA GLN 19 -11.652 3.125 8.097 127 HB2 GLN 19 1HB GLN 19 -13.397 4.672 9.139 128 HB3 GLN 19 2HB GLN 19 -13.143 5.777 7.801 129 HG2 GLN 19 1HG GLN 19 -14.905 4.705 6.913 130 HG3 GLN 19 2HG GLN 19 -13.707 3.513 6.421 131 HE21 GLN 19 1HE2 GLN 19 -14.208 1.408 7.052 132 HE22 GLN 19 2HE2 GLN 19 -15.505 1.069 8.190 133 H PHE 20 H PHE 20 -11.373 2.615 5.884 134 HA PHE 20 HA PHE 20 -10.735 4.822 3.972 135 HB2 PHE 20 1HB PHE 20 -9.109 2.300 4.432 136 HB3 PHE 20 2HB PHE 20 -8.812 3.501 3.196 137 HD1 PHE 20 1HD PHE 20 -8.186 5.927 3.987 138 HD2 PHE 20 2HD PHE 20 -8.242 2.508 6.594 139 HE1 PHE 20 1HE PHE 20 -6.654 7.103 5.535 140 HE2 PHE 20 2HE PHE 20 -6.663 3.679 8.145 141 HZ PHE 20 HZ PHE 20 -5.838 5.948 7.595 142 H HIS 21 H HIS 21 -10.911 4.246 1.763 143 HA HIS 21 HA HIS 21 -12.109 1.652 1.082 144 HB2 HIS 21 1HB HIS 21 -13.407 4.231 0.156 145 HB3 HIS 21 2HB HIS 21 -14.023 2.592 0.068 146 HD1 HIS 21 1HD HIS 21 -13.659 5.509 2.533 147 HD2 HIS 21 2HD HIS 21 -15.335 1.641 2.247 148 HE1 HIS 21 1HE HIS 21 -15.059 5.178 4.624 149 H ILE 22 H ILE 22 -12.187 1.507 -1.388 150 HA ILE 22 HA ILE 22 -9.828 2.489 -2.690 151 HB ILE 22 HB ILE 22 -12.459 1.600 -3.951 152 HG12 ILE 22 1HG1 ILE 22 -11.805 -0.255 -2.695 153 HG13 ILE 22 2HG1 ILE 22 -11.305 -0.580 -4.330 154 HG21 ILE 22 1HG2 ILE 22 -11.092 2.784 -5.562 155 HG22 ILE 22 2HG2 ILE 22 -9.657 1.849 -5.115 156 HG23 ILE 22 3HG2 ILE 22 -11.023 1.066 -5.932 157 HD11 ILE 22 3HD1 ILE 22 -8.947 0.071 -3.700 158 HD12 ILE 22 1HD1 ILE 22 -9.496 0.238 -2.015 159 HD13 ILE 22 2HD1 ILE 22 -9.568 -1.337 -2.814 160 H GLY 23 H GLY 23 -9.417 4.545 -3.157 161 HA2 GLY 23 2HA GLY 23 -9.886 6.476 -4.439 162 HA3 GLY 23 1HA GLY 23 -11.604 6.300 -4.150 163 H ASP 24 H ASP 24 -10.527 5.825 -1.087 164 HA ASP 24 HA ASP 24 -10.788 8.655 -0.306 165 HB2 ASP 24 1HB ASP 24 -10.303 6.099 1.282 166 HB3 ASP 24 2HB ASP 24 -10.350 7.703 2.002 167 H THR 25 H THR 25 -8.688 9.262 1.507 168 HA THR 25 HA THR 25 -6.225 8.640 0.010 169 HB THR 25 HB THR 25 -5.761 10.861 1.410 170 HG1 THR 25 1HG THR 25 -8.451 11.184 0.653 171 HG21 THR 25 3HG2 THR 25 -5.264 10.677 -1.000 172 HG22 THR 25 1HG2 THR 25 -6.038 12.212 -0.687 173 HG23 THR 25 2HG2 THR 25 -6.980 10.884 -1.389 174 H VAL 26 H VAL 26 -4.364 8.249 1.300 175 HA VAL 26 HA VAL 26 -4.912 7.314 4.039 176 HB VAL 26 HB VAL 26 -2.620 6.621 4.097 177 HG11 VAL 26 1HG1 VAL 26 -2.636 4.952 2.372 178 HG12 VAL 26 2HG1 VAL 26 -4.312 5.235 2.906 179 HG13 VAL 26 3HG1 VAL 26 -3.729 5.939 1.366 180 HG21 VAL 26 3HG2 VAL 26 -2.143 7.786 1.331 181 HG22 VAL 26 1HG2 VAL 26 -1.537 8.484 2.844 182 HG23 VAL 26 2HG2 VAL 26 -1.000 6.876 2.360 183 HA PRO 27 HA PRO 27 -3.085 11.057 5.902 184 HB2 PRO 27 1HB PRO 27 -2.023 10.105 8.204 185 HB3 PRO 27 2HB PRO 27 -3.754 10.206 8.014 186 HG2 PRO 27 1HG PRO 27 -2.101 7.765 7.470 187 HG3 PRO 27 2HG PRO 27 -3.571 7.905 8.484 188 HD2 PRO 27 1HD PRO 27 -3.719 7.014 5.965 189 HD3 PRO 27 2HD PRO 27 -4.943 8.147 6.592 190 H ALA 28 H ALA 28 -0.944 11.904 6.350 191 HA ALA 28 HA ALA 28 1.055 11.021 4.596 192 HB1 ALA 28 1HB ALA 28 0.821 13.355 5.322 193 HB2 ALA 28 2HB ALA 28 1.199 12.898 7.002 194 HB3 ALA 28 3HB ALA 28 2.433 12.748 5.743 195 H MET 29 H MET 29 0.495 10.135 7.928 196 HA MET 29 HA MET 29 2.946 9.199 8.722 197 HB2 MET 29 1HB MET 29 1.660 7.550 10.173 198 HB3 MET 29 2HB MET 29 1.130 9.219 10.258 199 HG2 MET 29 1HG MET 29 -0.620 8.755 8.647 200 HG3 MET 29 2HG MET 29 -0.340 7.080 8.893 201 HE1 MET 29 3HE MET 29 -0.231 6.247 11.762 202 HE2 MET 29 1HE MET 29 0.419 7.787 12.363 203 HE3 MET 29 2HE MET 29 -1.124 7.171 12.984 204 H TYR 30 H TYR 30 0.974 7.840 6.267 205 HA TYR 30 HA TYR 30 2.672 5.367 6.134 206 HB2 TYR 30 1HB TYR 30 -0.046 5.927 4.933 207 HB3 TYR 30 2HB TYR 30 0.720 4.372 5.055 208 HD1 TYR 30 1HD TYR 30 1.641 4.750 8.118 209 HD2 TYR 30 2HD TYR 30 -2.022 5.601 6.044 210 HE1 TYR 30 1HE TYR 30 0.438 4.652 10.238 211 HE2 TYR 30 2HE TYR 30 -3.289 5.333 8.142 212 HH TYR 30 HH TYR 30 -1.774 4.811 11.327 213 H LEU 31 H LEU 31 2.230 8.348 4.593 214 HA LEU 31 HA LEU 31 2.986 7.534 1.878 215 HB2 LEU 31 1HB LEU 31 2.496 10.157 3.345 216 HB3 LEU 31 2HB LEU 31 3.286 10.157 1.790 217 HG LEU 31 HG LEU 31 0.762 8.564 2.047 218 HD11 LEU 31 1HD1 LEU 31 -0.168 10.442 2.996 219 HD12 LEU 31 2HD1 LEU 31 -0.596 10.532 1.292 220 HD13 LEU 31 3HD1 LEU 31 0.723 11.559 1.916 221 HD21 LEU 31 3HD2 LEU 31 1.517 10.406 -0.231 222 HD22 LEU 31 1HD2 LEU 31 0.652 8.848 -0.273 223 HD23 LEU 31 2HD2 LEU 31 2.411 8.905 -0.010 224 H THR 32 H THR 32 4.461 8.445 4.935 225 HA THR 32 HA THR 32 6.857 9.500 3.933 226 HB THR 32 HB THR 32 5.992 9.755 6.214 227 HG1 THR 32 1HG THR 32 7.861 10.117 6.861 228 HG21 THR 32 3HG2 THR 32 6.164 8.085 7.921 229 HG22 THR 32 1HG2 THR 32 6.991 6.968 6.830 230 HG23 THR 32 2HG2 THR 32 5.277 7.352 6.577 231 HA PRO 33 HA PRO 33 8.707 6.164 2.003 232 HB2 PRO 33 1HB PRO 33 11.455 6.566 2.303 233 HB3 PRO 33 2HB PRO 33 10.345 7.414 1.184 234 HG2 PRO 33 1HG PRO 33 11.328 8.340 3.873 235 HG3 PRO 33 2HG PRO 33 11.159 9.278 2.364 236 HD2 PRO 33 1HD PRO 33 9.298 9.394 4.324 237 HD3 PRO 33 2HD PRO 33 8.828 9.439 2.607 238 H GLU 34 H GLU 34 9.164 6.272 5.390 239 HA GLU 34 HA GLU 34 10.693 3.957 5.890 240 HB2 GLU 34 1HB GLU 34 8.327 5.192 7.348 241 HB3 GLU 34 2HB GLU 34 9.047 3.748 7.964 242 HG2 GLU 34 1HG GLU 34 10.298 6.490 7.744 243 HG3 GLU 34 2HG GLU 34 9.842 5.604 9.198 244 H TYR 35 H TYR 35 7.314 4.261 4.894 245 HA TYR 35 HA TYR 35 6.953 1.318 5.149 246 HB2 TYR 35 1HB TYR 35 4.905 3.495 4.635 247 HB3 TYR 35 2HB TYR 35 4.591 1.809 5.039 248 HD1 TYR 35 1HD TYR 35 5.973 4.988 6.374 249 HD2 TYR 35 2HD TYR 35 4.394 1.098 7.320 250 HE1 TYR 35 1HE TYR 35 6.047 5.556 8.771 251 HE2 TYR 35 2HE TYR 35 4.158 1.771 9.670 252 HH TYR 35 HH TYR 35 4.277 3.661 11.190 253 H ASN 36 H ASN 36 7.741 3.606 2.781 254 HA ASN 36 HA ASN 36 6.176 2.866 0.515 255 HB2 ASN 36 1HB ASN 36 7.435 4.936 0.719 256 HB3 ASN 36 2HB ASN 36 8.972 4.052 0.720 257 HD21 ASN 36 1HD2 ASN 36 8.234 6.189 -1.064 258 HD22 ASN 36 2HD2 ASN 36 8.254 5.552 -2.674 259 H ILE 37 H ILE 37 6.098 0.886 -0.353 260 HA ILE 37 HA ILE 37 8.390 -0.964 -0.185 261 HB ILE 37 HB ILE 37 5.505 -1.455 -1.069 262 HG12 ILE 37 1HG1 ILE 37 6.993 -2.491 1.388 263 HG13 ILE 37 2HG1 ILE 37 5.991 -1.035 1.428 264 HG21 ILE 37 1HG2 ILE 37 6.227 -3.855 -1.035 265 HG22 ILE 37 2HG2 ILE 37 6.989 -2.922 -2.289 266 HG23 ILE 37 3HG2 ILE 37 7.903 -3.308 -0.812 267 HD11 ILE 37 3HD1 ILE 37 5.073 -3.827 0.817 268 HD12 ILE 37 1HD1 ILE 37 4.661 -2.826 2.205 269 HD13 ILE 37 2HD1 ILE 37 4.068 -2.364 0.595 270 H LYS 38 H LYS 38 9.761 0.148 -1.593 271 HA LYS 38 HA LYS 38 9.036 0.271 -4.446 272 HB2 LYS 38 1HB LYS 38 11.729 0.435 -3.052 273 HB3 LYS 38 2HB LYS 38 11.536 0.453 -4.807 274 HG2 LYS 38 1HG LYS 38 10.062 2.409 -4.711 275 HG3 LYS 38 2HG LYS 38 10.118 2.417 -2.945 276 HD2 LYS 38 1HD LYS 38 12.661 2.690 -4.583 277 HD3 LYS 38 2HD LYS 38 11.606 4.071 -4.230 278 HE2 LYS 38 1HE LYS 38 11.710 3.489 -1.797 279 HE3 LYS 38 2HE LYS 38 12.913 2.257 -2.166 280 HZ1 LYS 38 3HZ LYS 38 14.388 3.966 -2.916 281 HZ2 LYS 38 1HZ LYS 38 13.789 4.419 -1.432 282 HZ3 LYS 38 2HZ LYS 38 13.191 5.116 -2.801 283 H GLN 39 H GLN 39 10.212 -2.256 -2.231 284 HA GLN 39 HA GLN 39 10.700 -4.106 -4.480 285 HB2 GLN 39 1HB GLN 39 10.850 -4.546 -1.479 286 HB3 GLN 39 2HB GLN 39 11.149 -5.757 -2.721 287 HG2 GLN 39 1HG GLN 39 13.294 -5.169 -2.634 288 HG3 GLN 39 2HG GLN 39 12.864 -3.740 -3.546 289 HE21 GLN 39 1HE2 GLN 39 12.458 -1.679 -2.247 290 HE22 GLN 39 2HE2 GLN 39 13.026 -1.592 -0.588 291 H TRP 40 H TRP 40 8.495 -3.582 -5.273 292 HA TRP 40 HA TRP 40 6.290 -4.936 -3.912 293 HB2 TRP 40 1HB TRP 40 5.094 -4.590 -6.076 294 HB3 TRP 40 2HB TRP 40 5.538 -3.149 -5.180 295 HD1 TRP 40 HD TRP 40 7.383 -1.547 -6.201 296 HE1 TRP 40 1HE TRP 40 7.898 -0.974 -8.671 297 HE3 TRP 40 3HE TRP 40 5.115 -5.529 -8.518 298 HZ2 TRP 40 2HZ TRP 40 7.425 -2.035 -11.224 299 HZ3 TRP 40 3HZ TRP 40 5.059 -5.613 -11.010 300 HH2 TRP 40 HH TRP 40 6.238 -3.917 -12.361 301 H GLN 41 H GLN 41 8.370 -5.426 -6.802 302 HA GLN 41 HA GLN 41 7.108 -7.458 -7.937 303 HB2 GLN 41 1HB GLN 41 9.984 -6.648 -7.830 304 HB3 GLN 41 2HB GLN 41 9.677 -8.234 -8.521 305 HG2 GLN 41 1HG GLN 41 8.240 -5.734 -9.484 306 HG3 GLN 41 2HG GLN 41 9.767 -6.302 -10.154 307 HE21 GLN 41 1HE2 GLN 41 6.270 -6.982 -10.024 308 HE22 GLN 41 2HE2 GLN 41 6.313 -8.365 -11.056 309 H GLN 42 H GLN 42 9.541 -8.192 -5.339 310 HA GLN 42 HA GLN 42 9.375 -11.009 -5.716 311 HB2 GLN 42 1HB GLN 42 10.164 -9.235 -3.377 312 HB3 GLN 42 2HB GLN 42 10.140 -10.988 -3.242 313 HG2 GLN 42 1HG GLN 42 11.619 -11.021 -5.336 314 HG3 GLN 42 2HG GLN 42 11.906 -9.302 -5.032 315 HE21 GLN 42 1HE2 GLN 42 13.562 -11.995 -4.713 316 HE22 GLN 42 2HE2 GLN 42 14.141 -11.886 -3.035 317 H ARG 43 H ARG 43 7.033 -8.899 -4.261 318 HA ARG 43 HA ARG 43 5.834 -10.993 -2.573 319 HB2 ARG 43 1HB ARG 43 4.897 -8.177 -3.292 320 HB3 ARG 43 2HB ARG 43 4.160 -9.251 -2.088 321 HG2 ARG 43 1HG ARG 43 6.295 -9.295 -0.819 322 HG3 ARG 43 2HG ARG 43 7.007 -8.129 -1.937 323 HD2 ARG 43 1HD ARG 43 5.659 -6.358 -1.226 324 HD3 ARG 43 2HD ARG 43 4.401 -7.425 -0.605 325 HE ARG 43 HE ARG 43 5.418 -7.649 1.388 326 HH11 ARG 43 1HH1 ARG 43 7.733 -5.841 -0.682 327 HH12 ARG 43 2HH1 ARG 43 8.551 -5.173 0.693 328 HH21 ARG 43 1HH2 ARG 43 6.722 -7.025 3.102 329 HH22 ARG 43 2HH2 ARG 43 7.747 -5.644 2.895 330 H ASN 44 H ASN 44 3.096 -10.639 -3.251 331 HA ASN 44 HA ASN 44 3.056 -11.800 -6.010 332 HB2 ASN 44 1HB ASN 44 1.099 -12.171 -3.729 333 HB3 ASN 44 2HB ASN 44 0.894 -12.790 -5.363 334 HD21 ASN 44 1HD2 ASN 44 1.934 -13.704 -2.342 335 HD22 ASN 44 2HD2 ASN 44 3.057 -14.972 -2.802 336 H LEU 45 H LEU 45 2.717 -8.768 -4.720 337 HA LEU 45 HA LEU 45 0.146 -8.044 -5.626 338 HB2 LEU 45 1HB LEU 45 2.705 -6.489 -5.085 339 HB3 LEU 45 2HB LEU 45 1.220 -5.700 -5.537 340 HG LEU 45 HG LEU 45 1.219 -5.407 -3.302 341 HD11 LEU 45 1HD1 LEU 45 -0.942 -6.372 -3.988 342 HD12 LEU 45 2HD1 LEU 45 -0.555 -6.642 -2.280 343 HD13 LEU 45 3HD1 LEU 45 -0.346 -7.965 -3.444 344 HD21 LEU 45 3HD2 LEU 45 2.106 -8.219 -2.706 345 HD22 LEU 45 1HD2 LEU 45 1.816 -6.913 -1.541 346 HD23 LEU 45 2HD2 LEU 45 3.134 -6.749 -2.704 347 HA PRO 46 HA PRO 46 1.020 -6.934 -9.981 348 HB2 PRO 46 1HB PRO 46 -0.780 -4.855 -10.210 349 HB3 PRO 46 2HB PRO 46 -1.348 -6.542 -10.220 350 HG2 PRO 46 1HG PRO 46 -1.091 -4.652 -7.950 351 HG3 PRO 46 2HG PRO 46 -2.552 -5.658 -8.325 352 HD2 PRO 46 1HD PRO 46 -0.844 -6.226 -6.407 353 HD3 PRO 46 2HD PRO 46 -1.461 -7.559 -7.449 354 H ALA 47 H ALA 47 1.673 -4.906 -11.126 355 HA ALA 47 HA ALA 47 3.625 -3.315 -9.871 356 HB1 ALA 47 1HB ALA 47 3.497 -1.982 -11.977 357 HB2 ALA 47 2HB ALA 47 3.467 -3.719 -12.305 358 HB3 ALA 47 3HB ALA 47 1.965 -2.773 -12.379 359 HA PRO 48 HA PRO 48 1.221 0.155 -8.267 360 HB2 PRO 48 1HB PRO 48 3.016 2.235 -8.507 361 HB3 PRO 48 2HB PRO 48 3.165 0.951 -7.271 362 HG2 PRO 48 1HG PRO 48 4.594 1.154 -9.919 363 HG3 PRO 48 2HG PRO 48 5.274 0.752 -8.319 364 HD2 PRO 48 1HD PRO 48 4.590 -1.149 -10.169 365 HD3 PRO 48 2HD PRO 48 4.434 -1.436 -8.412 366 H ASP 49 H ASP 49 0.228 2.190 -9.057 367 HA ASP 49 HA ASP 49 -0.274 2.423 -11.933 368 HB2 ASP 49 1HB ASP 49 -0.839 4.326 -9.625 369 HB3 ASP 49 2HB ASP 49 -1.077 4.728 -11.281 370 H ALA 50 H ALA 50 0.668 4.019 -13.217 371 HA ALA 50 HA ALA 50 3.371 4.795 -12.756 372 HB1 ALA 50 1HB ALA 50 2.961 6.179 -14.743 373 HB2 ALA 50 2HB ALA 50 2.353 4.524 -14.969 374 HB3 ALA 50 3HB ALA 50 1.210 5.851 -14.623 375 H GLY 51 H GLY 51 3.739 5.987 -10.891 376 HA2 GLY 51 2HA GLY 51 4.004 8.351 -10.209 377 HA3 GLY 51 1HA GLY 51 2.295 8.594 -10.571 378 H SER 52 H SER 52 2.980 5.498 -9.085 379 HA SER 52 HA SER 52 2.293 6.543 -6.396 380 HB2 SER 52 1HB SER 52 0.626 4.740 -6.203 381 HB3 SER 52 2HB SER 52 0.235 5.785 -7.571 382 HG SER 52 HG SER 52 1.365 4.176 -8.871 383 H HIS 53 H HIS 53 2.442 4.625 -4.762 384 HA HIS 53 HA HIS 53 4.234 2.493 -5.553 385 HB2 HIS 53 1HB HIS 53 5.635 2.817 -3.544 386 HB3 HIS 53 2HB HIS 53 5.965 3.963 -4.852 387 HD1 HIS 53 1HD HIS 53 5.543 6.598 -4.297 388 HD2 HIS 53 2HD HIS 53 4.594 3.845 -1.228 389 HE1 HIS 53 1HE HIS 53 5.192 7.944 -2.209 390 H TRP 54 H TRP 54 4.210 0.759 -4.040 391 HA TRP 54 HA TRP 54 1.754 0.518 -2.511 392 HB2 TRP 54 1HB TRP 54 4.153 -1.286 -2.958 393 HB3 TRP 54 2HB TRP 54 2.802 -1.720 -1.920 394 HD1 TRP 54 HD TRP 54 3.766 -1.513 -5.589 395 HE1 TRP 54 1HE TRP 54 1.878 -2.615 -7.005 396 HE3 TRP 54 3HE TRP 54 0.169 -2.013 -2.002 397 HZ2 TRP 54 2HZ TRP 54 -0.942 -2.876 -6.776 398 HZ3 TRP 54 3HZ TRP 54 -2.157 -2.632 -2.611 399 HH2 TRP 54 HH TRP 54 -2.759 -2.963 -4.973 400 H THR 55 H THR 55 1.676 0.157 -0.160 401 HA THR 55 HA THR 55 4.125 0.527 1.372 402 HB THR 55 HB THR 55 3.507 2.803 1.328 403 HG1 THR 55 1HG THR 55 2.841 3.290 3.386 404 HG21 THR 55 3HG2 THR 55 0.676 2.115 2.212 405 HG22 THR 55 1HG2 THR 55 1.066 2.454 0.520 406 HG23 THR 55 2HG2 THR 55 1.283 3.706 1.759 407 H TYR 56 H TYR 56 3.499 0.185 3.721 408 HA TYR 56 HA TYR 56 1.735 -2.190 3.879 409 HB2 TYR 56 1HB TYR 56 4.412 -2.175 4.251 410 HB3 TYR 56 2HB TYR 56 3.956 -1.711 5.859 411 HD1 TYR 56 1HD TYR 56 1.234 -3.552 5.480 412 HD2 TYR 56 2HD TYR 56 5.472 -4.133 5.144 413 HE1 TYR 56 1HE TYR 56 0.934 -5.932 6.123 414 HE2 TYR 56 2HE TYR 56 5.196 -6.541 5.802 415 HH TYR 56 HH TYR 56 1.994 -7.886 6.759 416 H MET 57 H MET 57 -0.129 -1.535 4.784 417 HA MET 57 HA MET 57 -0.334 0.650 6.756 418 HB2 MET 57 1HB MET 57 -2.418 -1.169 5.437 419 HB3 MET 57 2HB MET 57 -2.803 0.199 6.486 420 HG2 MET 57 1HG MET 57 -1.328 0.466 3.940 421 HG3 MET 57 2HG MET 57 -3.073 0.707 4.176 422 HE1 MET 57 3HE MET 57 -3.534 4.009 5.893 423 HE2 MET 57 1HE MET 57 -4.159 2.865 4.715 424 HE3 MET 57 2HE MET 57 -3.821 2.332 6.382 425 H GLY 58 H GLY 58 -2.613 -0.679 8.039 426 HA2 GLY 58 2HA GLY 58 -1.452 -2.010 10.302 427 HA3 GLY 58 1HA GLY 58 -3.141 -1.586 9.979 428 H GLY 59 H GLY 59 -0.614 -3.569 8.505 429 HA2 GLY 59 2HA GLY 59 -0.432 -5.805 8.452 430 HA3 GLY 59 1HA GLY 59 -2.141 -6.058 8.868 431 H ASN 60 H ASN 60 -1.861 -3.787 6.296 432 HA ASN 60 HA ASN 60 -2.395 -5.895 4.274 433 HB2 ASN 60 1HB ASN 60 -3.693 -3.209 4.656 434 HB3 ASN 60 2HB ASN 60 -4.220 -4.462 3.514 435 HD21 ASN 60 1HD2 ASN 60 -4.877 -3.084 6.587 436 HD22 ASN 60 2HD2 ASN 60 -5.532 -4.447 7.385 437 H TYR 61 H TYR 61 -2.107 -5.054 2.043 438 HA TYR 61 HA TYR 61 0.126 -3.095 1.895 439 HB2 TYR 61 1HB TYR 61 -0.769 -5.321 0.013 440 HB3 TYR 61 2HB TYR 61 0.479 -4.139 -0.366 441 HD1 TYR 61 2HD TYR 61 2.435 -3.892 1.317 442 HD2 TYR 61 1HD TYR 61 -0.173 -7.302 1.185 443 HE1 TYR 61 2HE TYR 61 4.210 -5.278 2.379 444 HE2 TYR 61 1HE TYR 61 1.577 -8.695 2.252 445 HH TYR 61 HH TYR 61 3.843 -8.523 3.474 446 H VAL 62 H VAL 62 -0.398 -1.116 0.950 447 HA VAL 62 HA VAL 62 -2.818 -1.042 -0.802 448 HB VAL 62 HB VAL 62 -3.535 1.015 0.156 449 HG11 VAL 62 1HG1 VAL 62 -4.144 -1.209 1.162 450 HG12 VAL 62 2HG1 VAL 62 -2.990 -0.911 2.462 451 HG13 VAL 62 3HG1 VAL 62 -4.378 0.171 2.240 452 HG21 VAL 62 3HG2 VAL 62 -1.094 0.797 1.947 453 HG22 VAL 62 1HG2 VAL 62 -1.499 2.113 0.833 454 HG23 VAL 62 2HG2 VAL 62 -2.459 1.871 2.299 455 H LEU 63 H LEU 63 -2.818 0.503 -2.369 456 HA LEU 63 HA LEU 63 -0.086 1.378 -3.222 457 HB2 LEU 63 1HB LEU 63 -1.262 -0.178 -4.722 458 HB3 LEU 63 2HB LEU 63 -2.649 0.897 -4.776 459 HG LEU 63 HG LEU 63 -1.179 2.631 -5.858 460 HD11 LEU 63 1HD1 LEU 63 1.021 1.821 -6.785 461 HD12 LEU 63 2HD1 LEU 63 0.916 0.426 -5.695 462 HD13 LEU 63 3HD1 LEU 63 0.999 2.084 -5.077 463 HD21 LEU 63 3HD2 LEU 63 -1.276 1.704 -8.005 464 HD22 LEU 63 1HD2 LEU 63 -2.588 0.935 -7.143 465 HD23 LEU 63 2HD2 LEU 63 -1.094 0.024 -7.413 466 H ILE 64 H ILE 64 0.364 3.534 -3.194 467 HA ILE 64 HA ILE 64 -1.854 5.482 -2.935 468 HB ILE 64 HB ILE 64 -0.356 6.666 -1.315 469 HG12 ILE 64 1HG1 ILE 64 1.063 4.033 -0.890 470 HG13 ILE 64 2HG1 ILE 64 1.731 5.236 -1.957 471 HG21 ILE 64 1HG2 ILE 64 -1.409 3.926 -0.514 472 HG22 ILE 64 2HG2 ILE 64 -1.078 5.267 0.592 473 HG23 ILE 64 3HG2 ILE 64 -2.354 5.425 -0.629 474 HD11 ILE 64 3HD1 ILE 64 1.056 5.976 0.885 475 HD12 ILE 64 1HD1 ILE 64 2.633 5.336 0.364 476 HD13 ILE 64 2HD1 ILE 64 2.017 6.834 -0.348 477 H THR 65 H THR 65 -1.723 7.172 -4.306 478 HA THR 65 HA THR 65 0.338 7.547 -6.176 479 HB THR 65 HB THR 65 -0.860 10.077 -5.695 480 HG1 THR 65 1HG THR 65 -3.115 9.222 -5.872 481 HG21 THR 65 3HG2 THR 65 -2.121 9.599 -7.727 482 HG22 THR 65 1HG2 THR 65 -1.748 7.864 -7.582 483 HG23 THR 65 2HG2 THR 65 -0.449 9.046 -7.887 484 H ASP 66 H ASP 66 2.315 8.578 -6.110 485 HA ASP 66 HA ASP 66 3.528 9.440 -3.656 486 HB2 ASP 66 1HB ASP 66 4.303 8.965 -6.373 487 HB3 ASP 66 2HB ASP 66 4.726 10.625 -6.045 488 H THR 67 H THR 67 1.075 10.927 -5.399 489 HA THR 67 HA THR 67 1.989 13.713 -5.061 490 HB THR 67 HB THR 67 2.602 12.778 -7.200 491 HG1 THR 67 1HG THR 67 2.161 14.855 -7.147 492 HG21 THR 67 3HG2 THR 67 0.868 12.241 -8.914 493 HG22 THR 67 1HG2 THR 67 -0.330 12.138 -7.602 494 HG23 THR 67 2HG2 THR 67 1.056 11.032 -7.646 495 H GLU 68 H GLU 68 -0.022 11.761 -3.676 496 HA GLU 68 HA GLU 68 -2.084 13.562 -3.101 497 HB2 GLU 68 1HB GLU 68 -2.847 13.007 -5.419 498 HB3 GLU 68 2HB GLU 68 -2.962 11.321 -4.998 499 HG2 GLU 68 1HG GLU 68 -4.870 11.660 -3.752 500 HG3 GLU 68 2HG GLU 68 -4.443 13.345 -3.362 501 H GLY 69 H GLY 69 -0.867 10.197 -3.211 502 HA2 GLY 69 2HA GLY 69 -1.365 8.332 -2.183 503 HA3 GLY 69 1HA GLY 69 -1.474 9.272 -0.716 504 H LYS 70 H LYS 70 -3.534 9.328 -3.602 505 HA LYS 70 HA LYS 70 -5.994 8.665 -2.144 506 HB2 LYS 70 1HB LYS 70 -5.319 9.291 -4.961 507 HB3 LYS 70 2HB LYS 70 -6.265 7.819 -4.818 508 HG2 LYS 70 1HG LYS 70 -7.708 9.433 -3.138 509 HG3 LYS 70 2HG LYS 70 -7.067 10.633 -4.253 510 HD2 LYS 70 1HD LYS 70 -8.714 8.162 -4.875 511 HD3 LYS 70 2HD LYS 70 -9.266 9.829 -4.990 512 HE2 LYS 70 1HE LYS 70 -7.112 8.512 -6.707 513 HE3 LYS 70 2HE LYS 70 -8.787 8.760 -7.202 514 HZ1 LYS 70 3HZ LYS 70 -7.008 11.001 -6.425 515 HZ2 LYS 70 1HZ LYS 70 -8.457 11.099 -7.194 516 HZ3 LYS 70 2HZ LYS 70 -7.114 10.448 -7.933 517 H ILE 71 H ILE 71 -6.829 6.642 -1.988 518 HA ILE 71 HA ILE 71 -4.943 4.432 -1.945 519 HB ILE 71 HB ILE 71 -7.886 4.773 -1.187 520 HG12 ILE 71 1HG1 ILE 71 -5.322 4.639 0.452 521 HG13 ILE 71 2HG1 ILE 71 -6.166 6.123 0.107 522 HG21 ILE 71 1HG2 ILE 71 -7.393 2.386 -1.690 523 HG22 ILE 71 2HG2 ILE 71 -6.027 2.426 -0.555 524 HG23 ILE 71 3HG2 ILE 71 -7.704 2.637 0.023 525 HD11 ILE 71 3HD1 ILE 71 -8.162 5.318 1.318 526 HD12 ILE 71 1HD1 ILE 71 -7.224 3.891 1.820 527 HD13 ILE 71 2HD1 ILE 71 -6.702 5.510 2.314 528 H LEU 72 H LEU 72 -4.411 4.163 -4.154 529 HA LEU 72 HA LEU 72 -6.303 3.904 -6.219 530 HB2 LEU 72 1HB LEU 72 -3.541 2.706 -5.968 531 HB3 LEU 72 2HB LEU 72 -4.499 2.791 -7.432 532 HG LEU 72 HG LEU 72 -3.037 4.531 -7.685 533 HD11 LEU 72 1HD1 LEU 72 -4.157 6.659 -7.563 534 HD12 LEU 72 2HD1 LEU 72 -5.266 6.056 -6.313 535 HD13 LEU 72 3HD1 LEU 72 -5.346 5.428 -7.980 536 HD21 LEU 72 3HD2 LEU 72 -2.960 4.954 -4.839 537 HD22 LEU 72 1HD2 LEU 72 -2.509 6.229 -5.992 538 HD23 LEU 72 2HD2 LEU 72 -1.702 4.661 -6.048 539 H LYS 73 H LYS 73 -4.664 1.379 -4.260 540 HA LYS 73 HA LYS 73 -6.984 -0.431 -4.566 541 HB2 LYS 73 1HB LYS 73 -4.171 -0.988 -5.532 542 HB3 LYS 73 2HB LYS 73 -5.278 -2.304 -5.145 543 HG2 LYS 73 1HG LYS 73 -6.697 -1.901 -6.944 544 HG3 LYS 73 2HG LYS 73 -6.284 -0.220 -7.066 545 HD2 LYS 73 1HD LYS 73 -4.871 -0.550 -8.632 546 HD3 LYS 73 2HD LYS 73 -3.834 -1.383 -7.637 547 HE2 LYS 73 1HE LYS 73 -5.578 -2.220 -9.829 548 HE3 LYS 73 2HE LYS 73 -4.085 -2.949 -9.367 549 HZ1 LYS 73 3HZ LYS 73 -5.084 -4.284 -7.813 550 HZ2 LYS 73 1HZ LYS 73 -6.045 -4.411 -9.148 551 HZ3 LYS 73 2HZ LYS 73 -6.560 -3.552 -7.873 552 H VAL 74 H VAL 74 -6.779 -2.340 -3.098 553 HA VAL 74 HA VAL 74 -4.835 -2.123 -0.873 554 HB VAL 74 HB VAL 74 -7.851 -2.497 -0.574 555 HG11 VAL 74 1HG1 VAL 74 -6.471 -3.797 1.117 556 HG12 VAL 74 2HG1 VAL 74 -5.808 -2.291 1.697 557 HG13 VAL 74 3HG1 VAL 74 -7.540 -2.584 1.821 558 HG21 VAL 74 3HG2 VAL 74 -7.882 -0.393 0.677 559 HG22 VAL 74 1HG2 VAL 74 -6.156 -0.137 0.323 560 HG23 VAL 74 2HG2 VAL 74 -7.355 -0.130 -0.981 561 H TYR 75 H TYR 75 -4.051 -4.156 -0.366 562 HA TYR 75 HA TYR 75 -5.733 -6.511 -0.991 563 HB2 TYR 75 1HB TYR 75 -2.796 -6.122 -1.677 564 HB3 TYR 75 2HB TYR 75 -3.500 -7.711 -1.463 565 HD1 TYR 75 1HD TYR 75 -5.160 -8.622 -3.059 566 HD2 TYR 75 2HD TYR 75 -3.474 -4.706 -3.598 567 HE1 TYR 75 1HE TYR 75 -6.098 -8.559 -5.333 568 HE2 TYR 75 2HE TYR 75 -4.470 -4.622 -5.905 569 HH TYR 75 HH TYR 75 -6.741 -5.934 -6.913 570 H ASP 76 H ASP 76 -5.654 -8.081 0.644 571 HA ASP 76 HA ASP 76 -4.872 -7.230 3.277 572 HB2 ASP 76 1HB ASP 76 -6.701 -8.862 2.627 573 HB3 ASP 76 2HB ASP 76 -5.436 -10.044 2.259 574 H GLY 77 H GLY 77 -3.076 -8.074 4.550 575 HA2 GLY 77 2HA GLY 77 -0.522 -8.348 3.237 576 HA3 GLY 77 1HA GLY 77 -0.879 -8.629 4.940 577 H GLU 78 H GLU 78 -3.056 -10.603 4.090 578 HA GLU 78 HA GLU 78 -1.734 -13.065 4.195 579 HB2 GLU 78 1HB GLU 78 -4.367 -12.267 2.904 580 HB3 GLU 78 2HB GLU 78 -3.809 -13.939 3.062 581 HG2 GLU 78 1HG GLU 78 -3.553 -12.888 5.673 582 HG3 GLU 78 2HG GLU 78 -5.069 -12.233 5.062 583 H ILE 79 H ILE 79 -2.227 -10.972 1.356 584 HA ILE 79 HA ILE 79 -1.751 -12.830 -0.673 585 HB ILE 79 HB ILE 79 -2.630 -10.468 -0.802 586 HG12 ILE 79 1HG1 ILE 79 -0.388 -10.831 -2.781 587 HG13 ILE 79 2HG1 ILE 79 -1.746 -11.942 -2.756 588 HG21 ILE 79 1HG2 ILE 79 -0.604 -9.467 0.492 589 HG22 ILE 79 2HG2 ILE 79 0.266 -9.536 -1.039 590 HG23 ILE 79 3HG2 ILE 79 -1.220 -8.567 -0.900 591 HD11 ILE 79 3HD1 ILE 79 -3.304 -10.301 -3.376 592 HD12 ILE 79 1HD1 ILE 79 -2.221 -8.968 -2.968 593 HD13 ILE 79 2HD1 ILE 79 -1.872 -9.975 -4.383 594 H PHE 80 H PHE 80 0.550 -11.485 1.616 595 HA PHE 80 HA PHE 80 2.943 -11.751 0.046 596 HB2 PHE 80 1HB PHE 80 2.670 -10.500 2.234 597 HB3 PHE 80 2HB PHE 80 2.582 -12.043 3.058 598 HD1 PHE 80 1HD PHE 80 4.768 -9.778 1.088 599 HD2 PHE 80 2HD PHE 80 4.596 -13.388 3.425 600 HE1 PHE 80 1HE PHE 80 7.268 -9.787 1.278 601 HE2 PHE 80 2HE PHE 80 7.055 -13.406 3.581 602 HZ PHE 80 HZ PHE 80 8.393 -11.575 2.562 603 H TYR 81 H TYR 81 0.965 -14.015 1.935 604 HA TYR 81 HA TYR 81 3.047 -16.034 1.927 605 HB2 TYR 81 1HB TYR 81 0.203 -16.137 2.998 606 HB3 TYR 81 2HB TYR 81 1.495 -17.260 3.381 607 HD1 TYR 81 2HD TYR 81 3.772 -16.005 4.233 608 HD2 TYR 81 1HD TYR 81 -0.244 -14.505 4.614 609 HE1 TYR 81 2HE TYR 81 4.520 -14.475 6.016 610 HE2 TYR 81 1HE TYR 81 0.492 -12.952 6.409 611 HH TYR 81 HH TYR 81 2.343 -12.436 7.929 612 H HIS 82 H HIS 82 1.094 -15.157 -0.518 613 HA HIS 82 HA HIS 82 0.199 -17.847 -1.326 614 HB2 HIS 82 1HB HIS 82 -1.085 -15.578 -1.661 615 HB3 HIS 82 2HB HIS 82 0.029 -15.362 -3.014 616 HD1 HIS 82 1HD HIS 82 -2.605 -17.952 -1.783 617 HD2 HIS 82 2HD HIS 82 -0.864 -16.393 -5.278 618 HE1 HIS 82 1HE HIS 82 -3.630 -19.233 -3.724 619 H ARG 83 H ARG 83 0.689 -17.784 -4.110 620 HA ARG 83 HA ARG 83 3.579 -17.807 -4.469 621 HB2 ARG 83 1HB ARG 83 3.475 -20.159 -5.212 622 HB3 ARG 83 2HB ARG 83 3.126 -20.019 -3.498 623 HG2 ARG 83 1HG ARG 83 0.770 -20.334 -3.828 624 HG3 ARG 83 2HG ARG 83 0.920 -20.220 -5.585 625 HD2 ARG 83 1HD ARG 83 2.380 -22.364 -4.020 626 HD3 ARG 83 2HD ARG 83 0.693 -22.564 -4.494 627 HE ARG 83 HE ARG 83 3.061 -22.435 -6.256 628 HH11 ARG 83 1HH1 ARG 83 -0.503 -22.444 -6.201 629 HH12 ARG 83 2HH1 ARG 83 -0.628 -23.388 -7.663 630 HH21 ARG 83 1HH2 ARG 83 2.779 -23.351 -8.396 631 HH22 ARG 83 2HH2 ARG 83 1.211 -23.941 -8.852 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.002 -19.105 -7.036 2 HA2 GLY 1 2HA GLY 1 -13.488 -20.888 -8.602 3 HA3 GLY 1 1HA GLY 1 -14.324 -19.960 -9.854 4 H ALA 2 H ALA 2 -11.500 -19.626 -7.529 5 HA ALA 2 HA ALA 2 -9.899 -18.492 -9.653 6 HB1 ALA 2 1HB ALA 2 -11.147 -16.465 -8.912 7 HB2 ALA 2 2HB ALA 2 -10.710 -16.809 -7.228 8 HB3 ALA 2 3HB ALA 2 -9.456 -16.379 -8.400 9 H ALA 3 H ALA 3 -7.691 -18.200 -8.881 10 HA ALA 3 HA ALA 3 -7.032 -19.118 -6.191 11 HB1 ALA 3 1HB ALA 3 -5.336 -20.737 -6.949 12 HB2 ALA 3 2HB ALA 3 -6.953 -21.245 -7.426 13 HB3 ALA 3 3HB ALA 3 -5.851 -20.527 -8.625 14 H GLY 4 H GLY 4 -7.016 -16.567 -7.679 15 HA2 GLY 4 2HA GLY 4 -4.122 -15.961 -7.894 16 HA3 GLY 4 1HA GLY 4 -5.393 -15.167 -8.843 17 H ILE 5 H ILE 5 -4.245 -13.387 -7.757 18 HA ILE 5 HA ILE 5 -4.336 -12.898 -4.999 19 HB ILE 5 HB ILE 5 -3.780 -10.594 -5.561 20 HG12 ILE 5 1HG1 ILE 5 -4.426 -11.161 -8.477 21 HG13 ILE 5 2HG1 ILE 5 -5.436 -10.214 -7.378 22 HG21 ILE 5 1HG2 ILE 5 -1.725 -11.015 -6.786 23 HG22 ILE 5 2HG2 ILE 5 -2.086 -12.470 -5.859 24 HG23 ILE 5 3HG2 ILE 5 -2.416 -12.421 -7.603 25 HD11 ILE 5 3HD1 ILE 5 -2.633 -9.495 -8.268 26 HD12 ILE 5 1HD1 ILE 5 -4.140 -8.664 -8.660 27 HD13 ILE 5 2HD1 ILE 5 -3.530 -8.645 -6.995 28 H ASP 6 H ASP 6 -6.935 -12.715 -7.179 29 HA ASP 6 HA ASP 6 -8.372 -10.476 -6.392 30 HB2 ASP 6 1HB ASP 6 -8.553 -12.099 -8.347 31 HB3 ASP 6 2HB ASP 6 -9.553 -13.118 -7.320 32 H GLN 7 H GLN 7 -8.129 -13.582 -4.768 33 HA GLN 7 HA GLN 7 -10.450 -13.410 -3.109 34 HB2 GLN 7 1HB GLN 7 -9.325 -15.128 -1.840 35 HB3 GLN 7 2HB GLN 7 -9.068 -15.389 -3.568 36 HG2 GLN 7 1HG GLN 7 -6.785 -14.237 -3.284 37 HG3 GLN 7 2HG GLN 7 -7.036 -14.375 -1.549 38 HE21 GLN 7 1HE2 GLN 7 -5.621 -15.876 -4.178 39 HE22 GLN 7 2HE2 GLN 7 -5.568 -17.497 -3.519 40 H TYR 8 H TYR 8 -7.230 -11.953 -2.935 41 HA TYR 8 HA TYR 8 -7.635 -11.020 -0.167 42 HB2 TYR 8 1HB TYR 8 -5.314 -10.620 -2.080 43 HB3 TYR 8 2HB TYR 8 -5.309 -10.284 -0.356 44 HD1 TYR 8 1HD TYR 8 -5.859 -12.446 1.156 45 HD2 TYR 8 2HD TYR 8 -4.374 -12.535 -2.885 46 HE1 TYR 8 1HE TYR 8 -4.904 -14.667 1.553 47 HE2 TYR 8 2HE TYR 8 -3.386 -14.768 -2.488 48 HH TYR 8 HH TYR 8 -3.272 -16.115 0.831 49 H ALA 9 H ALA 9 -8.652 -9.938 -3.210 50 HA ALA 9 HA ALA 9 -7.838 -7.178 -3.122 51 HB1 ALA 9 1HB ALA 9 -8.534 -8.327 -5.221 52 HB2 ALA 9 2HB ALA 9 -10.182 -8.497 -4.571 53 HB3 ALA 9 3HB ALA 9 -9.513 -6.887 -4.887 54 H LEU 10 H LEU 10 -8.347 -6.018 -1.356 55 HA LEU 10 HA LEU 10 -11.060 -6.269 -0.150 56 HB2 LEU 10 1HB LEU 10 -8.562 -4.791 0.761 57 HB3 LEU 10 2HB LEU 10 -10.121 -4.676 1.564 58 HG LEU 10 HG LEU 10 -8.467 -7.219 1.272 59 HD11 LEU 10 1HD1 LEU 10 -7.524 -5.735 2.901 60 HD12 LEU 10 2HD1 LEU 10 -8.410 -7.025 3.772 61 HD13 LEU 10 3HD1 LEU 10 -9.098 -5.397 3.632 62 HD21 LEU 10 3HD2 LEU 10 -11.148 -6.807 2.667 63 HD22 LEU 10 1HD2 LEU 10 -10.117 -8.239 2.813 64 HD23 LEU 10 2HD2 LEU 10 -10.835 -7.865 1.259 65 H LYS 11 H LYS 11 -12.103 -4.255 0.375 66 HA LYS 11 HA LYS 11 -11.957 -2.339 -1.887 67 HB2 LYS 11 1HB LYS 11 -14.471 -2.286 -1.697 68 HB3 LYS 11 2HB LYS 11 -13.738 -3.716 -2.427 69 HG2 LYS 11 1HG LYS 11 -13.970 -4.937 -0.334 70 HG3 LYS 11 2HG LYS 11 -14.714 -3.523 0.452 71 HD2 LYS 11 1HD LYS 11 -16.490 -3.592 -1.324 72 HD3 LYS 11 2HD LYS 11 -15.845 -5.154 -1.862 73 HE2 LYS 11 1HE LYS 11 -16.870 -4.517 0.948 74 HE3 LYS 11 2HE LYS 11 -17.863 -5.188 -0.343 75 HZ1 LYS 11 3HZ LYS 11 -15.526 -6.564 0.823 76 HZ2 LYS 11 1HZ LYS 11 -16.510 -7.148 -0.369 77 HZ3 LYS 11 2HZ LYS 11 -17.099 -6.842 1.153 78 H GLU 12 H GLU 12 -12.146 -2.803 1.532 79 HA GLU 12 HA GLU 12 -11.857 -0.017 2.099 80 HB2 GLU 12 1HB GLU 12 -13.797 0.088 3.657 81 HB3 GLU 12 2HB GLU 12 -14.307 -0.167 1.991 82 HG2 GLU 12 1HG GLU 12 -14.368 -2.683 2.548 83 HG3 GLU 12 2HG GLU 12 -14.127 -2.241 4.234 84 H PHE 13 H PHE 13 -11.418 0.192 4.471 85 HA PHE 13 HA PHE 13 -11.091 -2.131 6.083 86 HB2 PHE 13 1HB PHE 13 -8.708 -2.218 6.327 87 HB3 PHE 13 2HB PHE 13 -9.112 -2.475 4.661 88 HD1 PHE 13 2HD PHE 13 -8.996 -0.252 3.089 89 HD2 PHE 13 1HD PHE 13 -6.910 -0.801 6.826 90 HE1 PHE 13 2HE PHE 13 -7.310 1.421 2.395 91 HE2 PHE 13 1HE PHE 13 -5.181 0.809 6.078 92 HZ PHE 13 HZ PHE 13 -5.383 1.935 3.873 93 H THR 14 H THR 14 -9.832 -1.493 8.128 94 HA THR 14 HA THR 14 -9.946 1.419 8.674 95 HB THR 14 HB THR 14 -10.619 -0.693 10.733 96 HG1 THR 14 1HG THR 14 -12.698 -0.184 10.479 97 HG21 THR 14 3HG2 THR 14 -11.402 1.150 12.081 98 HG22 THR 14 1HG2 THR 14 -11.163 2.295 10.759 99 HG23 THR 14 2HG2 THR 14 -9.757 1.547 11.549 100 H ALA 15 H ALA 15 -7.913 2.080 8.998 101 HA ALA 15 HA ALA 15 -6.051 0.491 10.662 102 HB1 ALA 15 1HB ALA 15 -5.283 1.989 8.140 103 HB2 ALA 15 2HB ALA 15 -4.140 1.340 9.331 104 HB3 ALA 15 3HB ALA 15 -5.154 0.224 8.387 105 H ASP 16 H ASP 16 -4.627 2.087 11.860 106 HA ASP 16 HA ASP 16 -4.459 3.967 13.143 107 HB2 ASP 16 1HB ASP 16 -4.255 4.649 10.473 108 HB3 ASP 16 2HB ASP 16 -5.541 5.735 10.968 109 H PHE 17 H PHE 17 -7.062 2.621 13.068 110 HA PHE 17 HA PHE 17 -9.170 2.728 13.855 111 HB2 PHE 17 1HB PHE 17 -8.686 5.435 15.088 112 HB3 PHE 17 2HB PHE 17 -9.742 4.156 15.648 113 HD1 PHE 17 2HD PHE 17 -8.736 2.098 16.737 114 HD2 PHE 17 1HD PHE 17 -6.353 5.539 15.670 115 HE1 PHE 17 2HE PHE 17 -6.911 1.275 18.174 116 HE2 PHE 17 1HE PHE 17 -4.531 4.733 17.134 117 HZ PHE 17 HZ PHE 17 -4.777 2.608 18.364 118 H THR 18 H THR 18 -8.376 4.090 11.287 119 HA THR 18 HA THR 18 -10.604 6.023 10.914 120 HB THR 18 HB THR 18 -7.867 5.864 9.574 121 HG1 THR 18 1HG THR 18 -7.840 6.488 11.795 122 HG21 THR 18 3HG2 THR 18 -8.380 8.093 8.701 123 HG22 THR 18 1HG2 THR 18 -9.974 8.067 9.487 124 HG23 THR 18 2HG2 THR 18 -9.608 6.941 8.161 125 H GLN 19 H GLN 19 -12.044 5.348 9.403 126 HA GLN 19 HA GLN 19 -11.554 2.813 8.016 127 HB2 GLN 19 1HB GLN 19 -13.693 3.286 9.125 128 HB3 GLN 19 2HB GLN 19 -13.985 4.651 8.032 129 HG2 GLN 19 1HG GLN 19 -14.315 3.261 6.181 130 HG3 GLN 19 2HG GLN 19 -13.339 1.948 6.834 131 HE21 GLN 19 1HE2 GLN 19 -14.176 0.505 8.360 132 HE22 GLN 19 2HE2 GLN 19 -15.926 0.256 8.270 133 H PHE 20 H PHE 20 -11.548 2.607 5.753 134 HA PHE 20 HA PHE 20 -11.331 5.019 4.049 135 HB2 PHE 20 1HB PHE 20 -9.228 2.813 4.237 136 HB3 PHE 20 2HB PHE 20 -9.236 4.145 3.108 137 HD1 PHE 20 2HD PHE 20 -8.804 6.532 3.976 138 HD2 PHE 20 1HD PHE 20 -8.316 3.003 6.409 139 HE1 PHE 20 2HE PHE 20 -7.310 7.796 5.518 140 HE2 PHE 20 1HE PHE 20 -6.834 4.282 7.945 141 HZ PHE 20 HZ PHE 20 -6.326 6.666 7.498 142 H HIS 21 H HIS 21 -11.509 4.489 1.815 143 HA HIS 21 HA HIS 21 -12.341 1.739 1.101 144 HB2 HIS 21 1HB HIS 21 -13.787 4.239 0.206 145 HB3 HIS 21 2HB HIS 21 -14.274 2.559 0.012 146 HD1 HIS 21 1HD HIS 21 -13.933 5.200 2.827 147 HD2 HIS 21 2HD HIS 21 -15.854 1.572 1.868 148 HE1 HIS 21 1HE HIS 21 -15.583 4.699 4.738 149 H ILE 22 H ILE 22 -12.364 1.539 -1.383 150 HA ILE 22 HA ILE 22 -9.964 2.576 -2.547 151 HB ILE 22 HB ILE 22 -12.435 1.646 -4.069 152 HG12 ILE 22 1HG1 ILE 22 -11.935 -0.187 -2.681 153 HG13 ILE 22 2HG1 ILE 22 -11.334 -0.569 -4.271 154 HG21 ILE 22 1HG2 ILE 22 -10.871 2.791 -5.521 155 HG22 ILE 22 2HG2 ILE 22 -9.513 1.848 -4.874 156 HG23 ILE 22 3HG2 ILE 22 -10.773 1.060 -5.848 157 HD11 ILE 22 3HD1 ILE 22 -9.639 0.283 -1.879 158 HD12 ILE 22 1HD1 ILE 22 -9.763 -1.338 -2.578 159 HD13 ILE 22 2HD1 ILE 22 -9.006 -0.035 -3.514 160 H GLY 23 H GLY 23 -9.532 4.589 -3.124 161 HA2 GLY 23 2HA GLY 23 -9.983 6.480 -4.505 162 HA3 GLY 23 1HA GLY 23 -11.696 6.370 -4.126 163 H ASP 24 H ASP 24 -10.580 5.900 -1.107 164 HA ASP 24 HA ASP 24 -10.855 8.685 -0.319 165 HB2 ASP 24 1HB ASP 24 -10.191 6.151 1.228 166 HB3 ASP 24 2HB ASP 24 -10.431 7.724 1.965 167 H THR 25 H THR 25 -8.674 9.192 1.631 168 HA THR 25 HA THR 25 -6.226 8.744 0.069 169 HB THR 25 HB THR 25 -5.903 11.039 1.382 170 HG1 THR 25 1HG THR 25 -8.603 11.185 0.626 171 HG21 THR 25 3HG2 THR 25 -6.292 12.282 -0.784 172 HG22 THR 25 1HG2 THR 25 -7.091 10.831 -1.420 173 HG23 THR 25 2HG2 THR 25 -5.360 10.809 -1.004 174 H VAL 26 H VAL 26 -4.383 8.325 1.338 175 HA VAL 26 HA VAL 26 -4.895 7.469 4.109 176 HB VAL 26 HB VAL 26 -2.729 6.658 4.118 177 HG11 VAL 26 1HG1 VAL 26 -3.554 6.128 1.264 178 HG12 VAL 26 2HG1 VAL 26 -2.690 5.046 2.394 179 HG13 VAL 26 3HG1 VAL 26 -4.389 5.430 2.647 180 HG21 VAL 26 3HG2 VAL 26 -2.073 8.049 1.470 181 HG22 VAL 26 1HG2 VAL 26 -1.410 8.479 3.052 182 HG23 VAL 26 2HG2 VAL 26 -1.014 6.923 2.357 183 HA PRO 27 HA PRO 27 -3.082 11.226 5.930 184 HB2 PRO 27 1HB PRO 27 -2.047 10.263 8.268 185 HB3 PRO 27 2HB PRO 27 -3.795 10.459 7.997 186 HG2 PRO 27 1HG PRO 27 -2.178 7.962 7.732 187 HG3 PRO 27 2HG PRO 27 -3.735 8.165 8.585 188 HD2 PRO 27 1HD PRO 27 -3.638 7.167 6.058 189 HD3 PRO 27 2HD PRO 27 -4.955 8.259 6.576 190 H ALA 28 H ALA 28 -0.961 12.110 6.271 191 HA ALA 28 HA ALA 28 1.041 11.075 4.586 192 HB1 ALA 28 1HB ALA 28 2.442 12.889 5.554 193 HB2 ALA 28 2HB ALA 28 0.838 13.424 5.033 194 HB3 ALA 28 3HB ALA 28 1.172 13.194 6.759 195 H MET 29 H MET 29 0.340 10.255 7.876 196 HA MET 29 HA MET 29 2.718 9.330 8.875 197 HB2 MET 29 1HB MET 29 0.008 7.928 9.000 198 HB3 MET 29 2HB MET 29 1.321 7.772 10.167 199 HG2 MET 29 1HG MET 29 -0.233 10.345 9.619 200 HG3 MET 29 2HG MET 29 -0.560 9.212 10.900 201 HE1 MET 29 3HE MET 29 -0.497 11.801 12.011 202 HE2 MET 29 1HE MET 29 -0.304 10.355 13.026 203 HE3 MET 29 2HE MET 29 0.756 11.762 13.279 204 H TYR 30 H TYR 30 0.841 7.912 6.224 205 HA TYR 30 HA TYR 30 2.718 5.574 6.240 206 HB2 TYR 30 1HB TYR 30 0.016 5.911 4.884 207 HB3 TYR 30 2HB TYR 30 1.008 4.458 4.878 208 HD1 TYR 30 2HD TYR 30 1.623 3.400 7.169 209 HD2 TYR 30 1HD TYR 30 -1.545 6.255 6.619 210 HE1 TYR 30 2HE TYR 30 0.613 2.705 9.352 211 HE2 TYR 30 1HE TYR 30 -2.473 5.683 8.868 212 HH TYR 30 HH TYR 30 -1.829 4.551 10.993 213 H LEU 31 H LEU 31 2.346 8.544 4.654 214 HA LEU 31 HA LEU 31 3.170 7.683 1.984 215 HB2 LEU 31 1HB LEU 31 2.640 10.305 3.416 216 HB3 LEU 31 2HB LEU 31 3.484 10.320 1.890 217 HG LEU 31 HG LEU 31 0.985 8.660 2.002 218 HD11 LEU 31 1HD1 LEU 31 0.895 11.647 2.175 219 HD12 LEU 31 2HD1 LEU 31 -0.118 10.412 2.965 220 HD13 LEU 31 3HD1 LEU 31 -0.332 10.743 1.258 221 HD21 LEU 31 3HD2 LEU 31 2.511 8.847 0.019 222 HD22 LEU 31 1HD2 LEU 31 2.130 10.581 -0.071 223 HD23 LEU 31 2HD2 LEU 31 0.855 9.374 -0.329 224 H THR 32 H THR 32 4.725 8.557 4.977 225 HA THR 32 HA THR 32 7.206 9.508 4.051 226 HB THR 32 HB THR 32 6.456 9.726 6.322 227 HG1 THR 32 1HG THR 32 8.367 8.618 7.399 228 HG21 THR 32 3HG2 THR 32 5.172 7.882 6.841 229 HG22 THR 32 1HG2 THR 32 6.593 7.701 7.874 230 HG23 THR 32 2HG2 THR 32 6.459 6.731 6.395 231 HA PRO 33 HA PRO 33 9.053 6.058 2.022 232 HB2 PRO 33 1HB PRO 33 11.725 6.270 2.589 233 HB3 PRO 33 2HB PRO 33 10.823 7.296 1.437 234 HG2 PRO 33 1HG PRO 33 11.556 7.872 4.304 235 HG3 PRO 33 2HG PRO 33 11.705 8.946 2.872 236 HD2 PRO 33 1HD PRO 33 9.648 9.123 4.588 237 HD3 PRO 33 2HD PRO 33 9.377 9.366 2.856 238 H GLU 34 H GLU 34 9.028 6.224 5.410 239 HA GLU 34 HA GLU 34 10.515 4.005 6.290 240 HB2 GLU 34 1HB GLU 34 8.074 5.507 7.318 241 HB3 GLU 34 2HB GLU 34 8.854 4.261 8.268 242 HG2 GLU 34 1HG GLU 34 10.975 5.527 8.242 243 HG3 GLU 34 2HG GLU 34 10.303 6.713 7.126 244 H TYR 35 H TYR 35 7.294 4.231 4.860 245 HA TYR 35 HA TYR 35 6.920 1.280 5.205 246 HB2 TYR 35 1HB TYR 35 4.768 3.406 5.057 247 HB3 TYR 35 2HB TYR 35 4.546 1.689 5.352 248 HD1 TYR 35 2HD TYR 35 5.321 0.662 7.542 249 HD2 TYR 35 1HD TYR 35 5.503 4.901 6.820 250 HE1 TYR 35 2HE TYR 35 5.608 1.068 9.961 251 HE2 TYR 35 1HE TYR 35 5.637 5.346 9.218 252 HH TYR 35 HH TYR 35 5.618 4.344 11.391 253 H ASN 36 H ASN 36 7.764 3.476 3.000 254 HA ASN 36 HA ASN 36 6.155 3.026 0.651 255 HB2 ASN 36 1HB ASN 36 7.441 5.032 1.071 256 HB3 ASN 36 2HB ASN 36 8.937 4.085 1.208 257 HD21 ASN 36 1HD2 ASN 36 9.347 2.750 -0.949 258 HD22 ASN 36 2HD2 ASN 36 9.465 3.971 -2.225 259 H ILE 37 H ILE 37 5.929 0.766 0.289 260 HA ILE 37 HA ILE 37 8.230 -1.011 0.314 261 HB ILE 37 HB ILE 37 5.449 -1.500 -0.805 262 HG12 ILE 37 1HG1 ILE 37 6.571 -2.447 1.880 263 HG13 ILE 37 2HG1 ILE 37 5.489 -1.068 1.714 264 HG21 ILE 37 1HG2 ILE 37 7.163 -2.992 -1.777 265 HG22 ILE 37 2HG2 ILE 37 7.756 -3.414 -0.156 266 HG23 ILE 37 3HG2 ILE 37 6.151 -3.915 -0.710 267 HD11 ILE 37 3HD1 ILE 37 4.104 -2.921 2.265 268 HD12 ILE 37 1HD1 ILE 37 3.816 -2.552 0.560 269 HD13 ILE 37 2HD1 ILE 37 4.833 -3.934 1.034 270 H LYS 38 H LYS 38 9.712 -0.854 -1.203 271 HA LYS 38 HA LYS 38 8.904 -0.095 -3.983 272 HB2 LYS 38 1HB LYS 38 11.650 -0.351 -2.702 273 HB3 LYS 38 2HB LYS 38 11.379 -0.228 -4.441 274 HG2 LYS 38 1HG LYS 38 9.801 1.849 -3.512 275 HG3 LYS 38 2HG LYS 38 11.107 1.870 -2.334 276 HD2 LYS 38 1HD LYS 38 11.433 1.901 -5.360 277 HD3 LYS 38 2HD LYS 38 11.391 3.349 -4.402 278 HE2 LYS 38 1HE LYS 38 13.421 1.198 -3.732 279 HE3 LYS 38 2HE LYS 38 13.690 2.251 -5.117 280 HZ1 LYS 38 3HZ LYS 38 14.718 3.114 -3.145 281 HZ2 LYS 38 1HZ LYS 38 13.273 3.232 -2.369 282 HZ3 LYS 38 2HZ LYS 38 13.557 4.158 -3.685 283 H GLN 39 H GLN 39 9.922 -2.896 -2.011 284 HA GLN 39 HA GLN 39 10.367 -4.508 -4.408 285 HB2 GLN 39 1HB GLN 39 10.254 -5.270 -1.465 286 HB3 GLN 39 2HB GLN 39 10.516 -6.398 -2.792 287 HG2 GLN 39 1HG GLN 39 12.681 -5.969 -2.137 288 HG3 GLN 39 2HG GLN 39 12.494 -4.875 -3.498 289 HE21 GLN 39 1HE2 GLN 39 13.021 -2.674 -3.089 290 HE22 GLN 39 2HE2 GLN 39 13.225 -2.043 -1.466 291 H TRP 40 H TRP 40 8.399 -4.360 -5.580 292 HA TRP 40 HA TRP 40 6.079 -5.813 -4.359 293 HB2 TRP 40 1HB TRP 40 4.746 -4.932 -6.173 294 HB3 TRP 40 2HB TRP 40 5.401 -3.662 -5.168 295 HD1 TRP 40 HD TRP 40 7.171 -2.004 -6.398 296 HE1 TRP 40 1HE TRP 40 7.635 -1.496 -8.876 297 HE3 TRP 40 3HE TRP 40 4.901 -6.094 -8.488 298 HZ2 TRP 40 2HZ TRP 40 7.049 -2.716 -11.450 299 HZ3 TRP 40 3HZ TRP 40 4.883 -6.398 -10.937 300 HH2 TRP 40 HH TRP 40 5.937 -4.713 -12.424 301 H GLN 41 H GLN 41 8.397 -5.818 -7.108 302 HA GLN 41 HA GLN 41 7.108 -7.898 -8.583 303 HB2 GLN 41 1HB GLN 41 10.041 -7.068 -8.394 304 HB3 GLN 41 2HB GLN 41 9.404 -8.212 -9.585 305 HG2 GLN 41 1HG GLN 41 7.871 -6.529 -10.461 306 HG3 GLN 41 2HG GLN 41 8.475 -5.336 -9.289 307 HE21 GLN 41 1HE2 GLN 41 8.457 -4.896 -12.060 308 HE22 GLN 41 2HE2 GLN 41 10.099 -4.795 -12.652 309 H GLN 42 H GLN 42 9.117 -7.942 -5.763 310 HA GLN 42 HA GLN 42 9.628 -10.845 -5.837 311 HB2 GLN 42 1HB GLN 42 10.333 -8.606 -3.888 312 HB3 GLN 42 2HB GLN 42 10.828 -10.289 -3.685 313 HG2 GLN 42 1HG GLN 42 12.008 -10.304 -5.803 314 HG3 GLN 42 2HG GLN 42 11.541 -8.628 -6.055 315 HE21 GLN 42 1HE2 GLN 42 13.791 -10.707 -4.443 316 HE22 GLN 42 2HE2 GLN 42 14.663 -9.490 -3.555 317 H ARG 43 H ARG 43 6.830 -9.966 -5.847 318 HA ARG 43 HA ARG 43 5.790 -11.403 -3.534 319 HB2 ARG 43 1HB ARG 43 4.545 -8.771 -4.465 320 HB3 ARG 43 2HB ARG 43 4.063 -9.736 -3.091 321 HG2 ARG 43 1HG ARG 43 6.706 -8.207 -3.251 322 HG3 ARG 43 2HG ARG 43 5.214 -7.571 -2.567 323 HD2 ARG 43 1HD ARG 43 5.120 -9.380 -0.933 324 HD3 ARG 43 2HD ARG 43 6.600 -10.101 -1.590 325 HE ARG 43 HE ARG 43 6.266 -7.572 -0.108 326 HH11 ARG 43 1HH1 ARG 43 8.607 -9.717 -1.738 327 HH12 ARG 43 2HH1 ARG 43 9.999 -8.918 -1.058 328 HH21 ARG 43 1HH2 ARG 43 8.034 -6.695 0.924 329 HH22 ARG 43 2HH2 ARG 43 9.654 -7.127 0.530 330 H ASN 44 H ASN 44 3.531 -11.989 -4.042 331 HA ASN 44 HA ASN 44 2.888 -12.571 -6.786 332 HB2 ASN 44 1HB ASN 44 1.203 -12.501 -4.242 333 HB3 ASN 44 2HB ASN 44 0.572 -13.010 -5.800 334 HD21 ASN 44 1HD2 ASN 44 0.804 -15.196 -6.371 335 HD22 ASN 44 2HD2 ASN 44 1.759 -16.303 -5.422 336 H LEU 45 H LEU 45 2.734 -9.616 -5.072 337 HA LEU 45 HA LEU 45 0.197 -8.665 -5.915 338 HB2 LEU 45 1HB LEU 45 2.694 -7.242 -4.898 339 HB3 LEU 45 2HB LEU 45 1.251 -6.346 -5.352 340 HG LEU 45 HG LEU 45 0.899 -8.675 -3.459 341 HD11 LEU 45 1HD1 LEU 45 2.781 -7.301 -2.517 342 HD12 LEU 45 2HD1 LEU 45 1.322 -7.354 -1.521 343 HD13 LEU 45 3HD1 LEU 45 1.666 -5.911 -2.489 344 HD21 LEU 45 3HD2 LEU 45 -1.104 -7.499 -4.337 345 HD22 LEU 45 1HD2 LEU 45 -0.468 -5.948 -3.745 346 HD23 LEU 45 2HD2 LEU 45 -0.920 -7.220 -2.602 347 HA PRO 46 HA PRO 46 0.939 -7.115 -10.042 348 HB2 PRO 46 1HB PRO 46 -0.659 -4.797 -9.976 349 HB3 PRO 46 2HB PRO 46 -1.372 -6.382 -10.248 350 HG2 PRO 46 1HG PRO 46 -1.102 -4.809 -7.814 351 HG3 PRO 46 2HG PRO 46 -2.480 -5.905 -8.293 352 HD2 PRO 46 1HD PRO 46 -0.724 -6.378 -6.375 353 HD3 PRO 46 2HD PRO 46 -1.377 -7.720 -7.380 354 H ALA 47 H ALA 47 1.642 -5.155 -11.210 355 HA ALA 47 HA ALA 47 3.692 -3.569 -10.022 356 HB1 ALA 47 1HB ALA 47 3.602 -2.338 -12.148 357 HB2 ALA 47 2HB ALA 47 3.483 -4.077 -12.477 358 HB3 ALA 47 3HB ALA 47 2.030 -3.060 -12.533 359 HA PRO 48 HA PRO 48 1.129 -0.204 -8.358 360 HB2 PRO 48 1HB PRO 48 2.913 1.880 -8.444 361 HB3 PRO 48 2HB PRO 48 3.056 0.544 -7.261 362 HG2 PRO 48 1HG PRO 48 4.489 0.848 -9.914 363 HG3 PRO 48 2HG PRO 48 5.197 0.453 -8.315 364 HD2 PRO 48 1HD PRO 48 4.575 -1.452 -10.161 365 HD3 PRO 48 2HD PRO 48 4.365 -1.752 -8.406 366 H ASP 49 H ASP 49 0.489 2.076 -9.136 367 HA ASP 49 HA ASP 49 -0.083 2.045 -12.025 368 HB2 ASP 49 1HB ASP 49 -0.946 3.896 -9.768 369 HB3 ASP 49 2HB ASP 49 -1.273 4.208 -11.443 370 H ALA 50 H ALA 50 0.280 4.213 -13.137 371 HA ALA 50 HA ALA 50 3.095 4.563 -13.290 372 HB1 ALA 50 1HB ALA 50 2.510 5.805 -15.304 373 HB2 ALA 50 2HB ALA 50 1.420 4.429 -15.195 374 HB3 ALA 50 3HB ALA 50 0.839 6.038 -14.731 375 H GLY 51 H GLY 51 2.474 5.514 -10.835 376 HA2 GLY 51 2HA GLY 51 3.805 7.770 -10.266 377 HA3 GLY 51 1HA GLY 51 2.228 8.432 -10.759 378 H SER 52 H SER 52 3.365 5.513 -8.925 379 HA SER 52 HA SER 52 2.155 6.452 -6.461 380 HB2 SER 52 1HB SER 52 0.529 4.579 -6.299 381 HB3 SER 52 2HB SER 52 0.146 5.655 -7.637 382 HG SER 52 HG SER 52 1.544 4.071 -8.877 383 H HIS 53 H HIS 53 2.369 4.615 -4.679 384 HA HIS 53 HA HIS 53 4.120 2.429 -5.468 385 HB2 HIS 53 1HB HIS 53 5.628 2.745 -3.588 386 HB3 HIS 53 2HB HIS 53 5.839 3.985 -4.828 387 HD1 HIS 53 1HD HIS 53 5.221 6.534 -4.094 388 HD2 HIS 53 2HD HIS 53 4.720 3.552 -1.148 389 HE1 HIS 53 1HE HIS 53 4.832 7.740 -1.891 390 H TRP 54 H TRP 54 4.250 0.779 -3.742 391 HA TRP 54 HA TRP 54 1.642 0.552 -2.408 392 HB2 TRP 54 1HB TRP 54 3.946 -1.377 -2.874 393 HB3 TRP 54 2HB TRP 54 2.563 -1.747 -1.860 394 HD1 TRP 54 HD TRP 54 3.541 -1.500 -5.530 395 HE1 TRP 54 1HE TRP 54 1.644 -2.481 -6.980 396 HE3 TRP 54 3HE TRP 54 -0.047 -2.061 -1.934 397 HZ2 TRP 54 2HZ TRP 54 -1.213 -3.033 -6.659 398 HZ3 TRP 54 3HZ TRP 54 -2.371 -2.687 -2.554 399 HH2 TRP 54 HH TRP 54 -2.961 -3.083 -4.933 400 H THR 55 H THR 55 1.480 0.255 -0.075 401 HA THR 55 HA THR 55 3.956 0.577 1.447 402 HB THR 55 HB THR 55 2.834 2.118 3.008 403 HG1 THR 55 1HG THR 55 0.896 3.141 2.097 404 HG21 THR 55 3HG2 THR 55 4.131 3.034 1.126 405 HG22 THR 55 1HG2 THR 55 2.855 4.102 1.694 406 HG23 THR 55 2HG2 THR 55 2.627 3.173 0.185 407 H TYR 56 H TYR 56 3.559 0.090 3.817 408 HA TYR 56 HA TYR 56 1.882 -2.336 4.059 409 HB2 TYR 56 1HB TYR 56 4.430 -2.447 4.322 410 HB3 TYR 56 2HB TYR 56 4.277 -1.416 5.714 411 HD1 TYR 56 1HD TYR 56 2.282 -4.412 4.509 412 HD2 TYR 56 2HD TYR 56 4.845 -2.749 7.538 413 HE1 TYR 56 1HE TYR 56 2.036 -6.484 5.844 414 HE2 TYR 56 2HE TYR 56 4.696 -4.854 8.827 415 HH TYR 56 HH TYR 56 3.697 -6.957 8.990 416 H MET 57 H MET 57 -0.056 -1.272 4.546 417 HA MET 57 HA MET 57 -0.125 0.616 6.868 418 HB2 MET 57 1HB MET 57 -1.979 0.151 4.517 419 HB3 MET 57 2HB MET 57 -2.628 0.706 6.056 420 HG2 MET 57 1HG MET 57 -0.805 2.487 6.043 421 HG3 MET 57 2HG MET 57 -0.588 2.116 4.329 422 HE1 MET 57 3HE MET 57 -2.920 2.714 7.159 423 HE2 MET 57 1HE MET 57 -3.489 4.348 6.763 424 HE3 MET 57 2HE MET 57 -4.487 2.959 6.344 425 H GLY 58 H GLY 58 -0.050 -0.762 8.654 426 HA2 GLY 58 2HA GLY 58 -1.300 -1.753 10.317 427 HA3 GLY 58 1HA GLY 58 -2.667 -1.836 9.214 428 H GLY 59 H GLY 59 0.022 -3.355 7.738 429 HA2 GLY 59 2HA GLY 59 0.592 -5.706 7.822 430 HA3 GLY 59 1HA GLY 59 -0.950 -6.031 8.597 431 H ASN 60 H ASN 60 -1.568 -3.630 6.210 432 HA ASN 60 HA ASN 60 -2.444 -5.667 4.276 433 HB2 ASN 60 1HB ASN 60 -3.480 -2.848 4.482 434 HB3 ASN 60 2HB ASN 60 -4.285 -4.293 3.878 435 HD21 ASN 60 1HD2 ASN 60 -4.817 -2.114 6.112 436 HD22 ASN 60 2HD2 ASN 60 -5.525 -3.136 7.343 437 H TYR 61 H TYR 61 -2.018 -5.158 2.066 438 HA TYR 61 HA TYR 61 0.273 -3.328 1.637 439 HB2 TYR 61 1HB TYR 61 -0.894 -5.575 -0.053 440 HB3 TYR 61 2HB TYR 61 0.423 -4.530 -0.557 441 HD1 TYR 61 2HD TYR 61 2.333 -4.280 1.346 442 HD2 TYR 61 1HD TYR 61 -0.265 -7.671 0.928 443 HE1 TYR 61 2HE TYR 61 4.012 -5.700 2.525 444 HE2 TYR 61 1HE TYR 61 1.435 -9.112 1.983 445 HH TYR 61 HH TYR 61 3.476 -8.963 3.507 446 H VAL 62 H VAL 62 -0.353 -1.235 0.959 447 HA VAL 62 HA VAL 62 -2.856 -1.124 -0.667 448 HB VAL 62 HB VAL 62 -3.702 0.617 0.603 449 HG11 VAL 62 1HG1 VAL 62 -3.830 -1.704 1.603 450 HG12 VAL 62 2HG1 VAL 62 -2.585 -1.209 2.746 451 HG13 VAL 62 3HG1 VAL 62 -4.138 -0.353 2.714 452 HG21 VAL 62 3HG2 VAL 62 -1.140 0.696 2.256 453 HG22 VAL 62 1HG2 VAL 62 -1.618 1.912 1.059 454 HG23 VAL 62 2HG2 VAL 62 -2.602 1.685 2.498 455 H LEU 63 H LEU 63 -2.923 0.459 -2.241 456 HA LEU 63 HA LEU 63 -0.194 1.364 -3.120 457 HB2 LEU 63 1HB LEU 63 -1.395 -0.183 -4.629 458 HB3 LEU 63 2HB LEU 63 -2.748 0.930 -4.698 459 HG LEU 63 HG LEU 63 -1.272 2.637 -5.764 460 HD11 LEU 63 1HD1 LEU 63 0.901 2.242 -5.070 461 HD12 LEU 63 2HD1 LEU 63 0.943 1.730 -6.730 462 HD13 LEU 63 3HD1 LEU 63 0.862 0.510 -5.444 463 HD21 LEU 63 3HD2 LEU 63 -1.145 1.533 -7.942 464 HD22 LEU 63 1HD2 LEU 63 -2.613 1.021 -7.112 465 HD23 LEU 63 2HD2 LEU 63 -1.207 -0.071 -7.172 466 H ILE 64 H ILE 64 0.251 3.532 -2.962 467 HA ILE 64 HA ILE 64 -2.041 5.411 -2.828 468 HB ILE 64 HB ILE 64 -0.798 6.692 -1.187 469 HG12 ILE 64 1HG1 ILE 64 1.215 4.402 -1.090 470 HG13 ILE 64 2HG1 ILE 64 1.517 5.988 -1.807 471 HG21 ILE 64 1HG2 ILE 64 -2.457 5.034 -0.497 472 HG22 ILE 64 2HG2 ILE 64 -1.166 3.799 -0.312 473 HG23 ILE 64 3HG2 ILE 64 -1.194 5.231 0.716 474 HD11 ILE 64 3HD1 ILE 64 2.461 6.080 0.341 475 HD12 ILE 64 1HD1 ILE 64 0.956 7.018 0.418 476 HD13 ILE 64 2HD1 ILE 64 1.020 5.392 1.115 477 H THR 65 H THR 65 -1.643 7.573 -3.690 478 HA THR 65 HA THR 65 0.403 7.588 -5.803 479 HB THR 65 HB THR 65 -0.542 10.111 -5.722 480 HG1 THR 65 1HG THR 65 -2.710 10.046 -5.367 481 HG21 THR 65 3HG2 THR 65 -2.420 9.133 -7.315 482 HG22 THR 65 1HG2 THR 65 -1.541 7.612 -7.074 483 HG23 THR 65 2HG2 THR 65 -0.701 9.054 -7.715 484 H ASP 66 H ASP 66 2.358 8.594 -5.598 485 HA ASP 66 HA ASP 66 3.387 9.324 -3.014 486 HB2 ASP 66 1HB ASP 66 5.254 10.187 -4.195 487 HB3 ASP 66 2HB ASP 66 4.793 8.665 -4.999 488 H THR 67 H THR 67 1.600 11.028 -5.382 489 HA THR 67 HA THR 67 2.201 13.695 -4.267 490 HB THR 67 HB THR 67 3.219 13.029 -6.338 491 HG1 THR 67 1HG THR 67 1.481 14.904 -7.257 492 HG21 THR 67 3HG2 THR 67 2.056 12.626 -8.381 493 HG22 THR 67 1HG2 THR 67 0.498 13.001 -7.635 494 HG23 THR 67 2HG2 THR 67 1.368 11.518 -7.211 495 H GLU 68 H GLU 68 0.076 11.958 -3.280 496 HA GLU 68 HA GLU 68 -1.988 13.831 -2.928 497 HB2 GLU 68 1HB GLU 68 -2.832 13.510 -5.112 498 HB3 GLU 68 2HB GLU 68 -2.419 11.812 -5.113 499 HG2 GLU 68 1HG GLU 68 -4.670 11.859 -5.126 500 HG3 GLU 68 2HG GLU 68 -4.311 11.466 -3.466 501 H GLY 69 H GLY 69 -1.043 10.367 -2.985 502 HA2 GLY 69 2HA GLY 69 -1.157 8.779 -1.385 503 HA3 GLY 69 1HA GLY 69 -1.823 9.919 -0.253 504 H LYS 70 H LYS 70 -3.370 9.446 -3.343 505 HA LYS 70 HA LYS 70 -5.912 8.777 -2.180 506 HB2 LYS 70 1HB LYS 70 -4.975 9.640 -4.706 507 HB3 LYS 70 2HB LYS 70 -5.509 8.025 -5.016 508 HG2 LYS 70 1HG LYS 70 -7.485 9.511 -3.388 509 HG3 LYS 70 2HG LYS 70 -7.062 10.394 -4.834 510 HD2 LYS 70 1HD LYS 70 -8.050 7.526 -4.720 511 HD3 LYS 70 2HD LYS 70 -9.028 8.934 -5.143 512 HE2 LYS 70 1HE LYS 70 -6.690 7.791 -6.735 513 HE3 LYS 70 2HE LYS 70 -8.398 7.695 -7.138 514 HZ1 LYS 70 3HZ LYS 70 -8.404 10.116 -7.364 515 HZ2 LYS 70 1HZ LYS 70 -7.334 9.381 -8.398 516 HZ3 LYS 70 2HZ LYS 70 -6.782 10.171 -7.092 517 H ILE 71 H ILE 71 -6.846 6.832 -1.866 518 HA ILE 71 HA ILE 71 -5.138 4.516 -1.683 519 HB ILE 71 HB ILE 71 -8.050 5.056 -0.941 520 HG12 ILE 71 1HG1 ILE 71 -5.425 4.796 0.629 521 HG13 ILE 71 2HG1 ILE 71 -6.253 6.311 0.310 522 HG21 ILE 71 1HG2 ILE 71 -7.716 2.608 -1.382 523 HG22 ILE 71 2HG2 ILE 71 -6.377 2.595 -0.213 524 HG23 ILE 71 3HG2 ILE 71 -8.040 2.955 0.309 525 HD11 ILE 71 3HD1 ILE 71 -7.151 4.093 2.143 526 HD12 ILE 71 1HD1 ILE 71 -6.702 5.760 2.546 527 HD13 ILE 71 2HD1 ILE 71 -8.190 5.461 1.639 528 H LEU 72 H LEU 72 -4.589 4.089 -3.756 529 HA LEU 72 HA LEU 72 -6.536 3.908 -5.868 530 HB2 LEU 72 1HB LEU 72 -3.729 2.737 -5.789 531 HB3 LEU 72 2HB LEU 72 -4.735 2.962 -7.213 532 HG LEU 72 HG LEU 72 -3.352 5.077 -5.531 533 HD11 LEU 72 1HD1 LEU 72 -2.033 3.971 -7.316 534 HD12 LEU 72 2HD1 LEU 72 -2.324 5.669 -7.694 535 HD13 LEU 72 3HD1 LEU 72 -3.272 4.414 -8.496 536 HD21 LEU 72 3HD2 LEU 72 -5.400 5.554 -7.754 537 HD22 LEU 72 1HD2 LEU 72 -4.359 6.800 -7.013 538 HD23 LEU 72 2HD2 LEU 72 -5.590 5.981 -6.048 539 H LYS 73 H LYS 73 -4.878 1.420 -3.812 540 HA LYS 73 HA LYS 73 -6.996 -0.515 -4.378 541 HB2 LYS 73 1HB LYS 73 -4.117 -0.950 -5.313 542 HB3 LYS 73 2HB LYS 73 -5.322 -2.227 -5.135 543 HG2 LYS 73 1HG LYS 73 -6.814 -0.952 -6.736 544 HG3 LYS 73 2HG LYS 73 -5.450 0.134 -7.074 545 HD2 LYS 73 1HD LYS 73 -5.298 -2.855 -7.362 546 HD3 LYS 73 2HD LYS 73 -5.888 -1.895 -8.634 547 HE2 LYS 73 1HE LYS 73 -3.161 -1.292 -7.546 548 HE3 LYS 73 2HE LYS 73 -3.429 -2.517 -8.813 549 HZ1 LYS 73 3HZ LYS 73 -4.320 -0.827 -10.223 550 HZ2 LYS 73 1HZ LYS 73 -2.958 -0.166 -9.683 551 HZ3 LYS 73 2HZ LYS 73 -4.411 0.309 -9.066 552 H VAL 74 H VAL 74 -6.763 -2.423 -2.957 553 HA VAL 74 HA VAL 74 -4.853 -2.234 -0.712 554 HB VAL 74 HB VAL 74 -7.874 -2.514 -0.386 555 HG11 VAL 74 1HG1 VAL 74 -7.555 -2.557 1.993 556 HG12 VAL 74 2HG1 VAL 74 -6.455 -3.770 1.344 557 HG13 VAL 74 3HG1 VAL 74 -5.840 -2.212 1.882 558 HG21 VAL 74 3HG2 VAL 74 -6.107 -0.162 0.399 559 HG22 VAL 74 1HG2 VAL 74 -7.363 -0.167 -0.859 560 HG23 VAL 74 2HG2 VAL 74 -7.825 -0.372 0.823 561 H TYR 75 H TYR 75 -4.046 -4.264 -0.343 562 HA TYR 75 HA TYR 75 -5.761 -6.610 -0.884 563 HB2 TYR 75 1HB TYR 75 -2.878 -6.188 -1.714 564 HB3 TYR 75 2HB TYR 75 -3.530 -7.793 -1.422 565 HD1 TYR 75 1HD TYR 75 -5.257 -8.757 -2.843 566 HD2 TYR 75 2HD TYR 75 -3.648 -4.898 -3.719 567 HE1 TYR 75 1HE TYR 75 -6.214 -8.926 -5.107 568 HE2 TYR 75 2HE TYR 75 -4.641 -5.054 -6.021 569 HH TYR 75 HH TYR 75 -6.214 -6.226 -7.394 570 H ASP 76 H ASP 76 -5.492 -8.271 0.699 571 HA ASP 76 HA ASP 76 -4.561 -7.401 3.295 572 HB2 ASP 76 1HB ASP 76 -6.414 -9.056 2.910 573 HB3 ASP 76 2HB ASP 76 -5.203 -10.246 2.400 574 H GLY 77 H GLY 77 -2.822 -8.510 4.606 575 HA2 GLY 77 2HA GLY 77 -0.250 -8.678 3.334 576 HA3 GLY 77 1HA GLY 77 -0.682 -9.140 4.951 577 H GLU 78 H GLU 78 -2.753 -11.160 4.032 578 HA GLU 78 HA GLU 78 -1.164 -13.434 4.048 579 HB2 GLU 78 1HB GLU 78 -3.983 -12.885 3.089 580 HB3 GLU 78 2HB GLU 78 -3.311 -14.507 3.023 581 HG2 GLU 78 1HG GLU 78 -3.429 -12.893 5.594 582 HG3 GLU 78 2HG GLU 78 -4.708 -13.988 5.028 583 H ILE 79 H ILE 79 -2.029 -11.497 1.299 584 HA ILE 79 HA ILE 79 -1.563 -13.295 -0.806 585 HB ILE 79 HB ILE 79 -2.543 -10.967 -0.881 586 HG12 ILE 79 1HG1 ILE 79 -0.322 -11.347 -2.896 587 HG13 ILE 79 2HG1 ILE 79 -1.764 -12.354 -2.906 588 HG21 ILE 79 1HG2 ILE 79 -0.492 -9.937 0.371 589 HG22 ILE 79 2HG2 ILE 79 0.305 -9.922 -1.198 590 HG23 ILE 79 3HG2 ILE 79 -1.206 -9.016 -0.950 591 HD11 ILE 79 3HD1 ILE 79 -3.197 -10.496 -3.366 592 HD12 ILE 79 1HD1 ILE 79 -1.916 -9.319 -3.060 593 HD13 ILE 79 2HD1 ILE 79 -1.806 -10.365 -4.473 594 H PHE 80 H PHE 80 0.764 -11.828 1.385 595 HA PHE 80 HA PHE 80 3.031 -11.877 -0.332 596 HB2 PHE 80 1HB PHE 80 2.906 -10.617 1.814 597 HB3 PHE 80 2HB PHE 80 2.804 -12.128 2.683 598 HD1 PHE 80 1HD PHE 80 5.197 -11.471 -0.173 599 HD2 PHE 80 2HD PHE 80 4.684 -12.042 4.056 600 HE1 PHE 80 1HE PHE 80 7.652 -11.657 0.106 601 HE2 PHE 80 2HE PHE 80 7.110 -12.271 4.331 602 HZ PHE 80 HZ PHE 80 8.625 -12.062 2.352 603 H TYR 81 H TYR 81 1.409 -14.408 1.525 604 HA TYR 81 HA TYR 81 3.726 -16.212 1.290 605 HB2 TYR 81 1HB TYR 81 1.140 -16.582 2.823 606 HB3 TYR 81 2HB TYR 81 2.620 -17.517 2.989 607 HD1 TYR 81 2HD TYR 81 4.632 -16.508 4.117 608 HD2 TYR 81 1HD TYR 81 0.916 -14.353 3.791 609 HE1 TYR 81 2HE TYR 81 5.417 -14.849 5.818 610 HE2 TYR 81 1HE TYR 81 1.714 -12.687 5.398 611 HH TYR 81 HH TYR 81 3.276 -12.496 7.204 612 H HIS 82 H HIS 82 1.395 -15.454 -0.836 613 HA HIS 82 HA HIS 82 0.121 -17.955 -1.431 614 HB2 HIS 82 1HB HIS 82 -0.828 -15.667 -1.726 615 HB3 HIS 82 2HB HIS 82 0.399 -15.322 -2.930 616 HD1 HIS 82 1HD HIS 82 -1.857 -18.531 -2.872 617 HD2 HIS 82 2HD HIS 82 -1.199 -14.902 -4.930 618 HE1 HIS 82 1HE HIS 82 -3.219 -18.646 -5.018 619 H ARG 83 H ARG 83 0.422 -18.280 -4.208 620 HA ARG 83 HA ARG 83 3.247 -19.246 -4.272 621 HB2 ARG 83 1HB ARG 83 2.467 -21.311 -5.272 622 HB3 ARG 83 2HB ARG 83 1.867 -21.121 -3.638 623 HG2 ARG 83 1HG ARG 83 -0.350 -20.957 -4.306 624 HG3 ARG 83 2HG ARG 83 0.054 -20.238 -5.862 625 HD2 ARG 83 1HD ARG 83 -0.728 -22.462 -6.316 626 HD3 ARG 83 2HD ARG 83 0.999 -22.408 -6.629 627 HE ARG 83 HE ARG 83 0.512 -23.299 -3.957 628 HH11 ARG 83 1HH1 ARG 83 0.298 -24.384 -7.345 629 HH12 ARG 83 2HH1 ARG 83 0.513 -26.064 -6.957 630 HH21 ARG 83 1HH2 ARG 83 0.729 -25.514 -3.460 631 HH22 ARG 83 2HH2 ARG 83 0.752 -26.744 -4.675 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -12.958 -20.469 -7.526 2 HA2 GLY 1 2HA GLY 1 -12.808 -19.693 -9.859 3 HA3 GLY 1 1HA GLY 1 -13.763 -18.280 -9.348 4 H ALA 2 H ALA 2 -12.851 -17.092 -7.399 5 HA ALA 2 HA ALA 2 -10.493 -15.847 -8.183 6 HB1 ALA 2 1HB ALA 2 -11.962 -15.809 -5.533 7 HB2 ALA 2 2HB ALA 2 -10.736 -14.632 -6.044 8 HB3 ALA 2 3HB ALA 2 -12.264 -14.741 -6.926 9 H ALA 3 H ALA 3 -8.951 -17.459 -8.427 10 HA ALA 3 HA ALA 3 -7.554 -18.302 -5.926 11 HB1 ALA 3 1HB ALA 3 -7.291 -19.447 -8.726 12 HB2 ALA 3 2HB ALA 3 -6.580 -20.089 -7.242 13 HB3 ALA 3 3HB ALA 3 -8.340 -20.143 -7.464 14 H GLY 4 H GLY 4 -7.569 -15.990 -8.220 15 HA2 GLY 4 2HA GLY 4 -4.659 -15.527 -8.357 16 HA3 GLY 4 1HA GLY 4 -5.916 -14.649 -9.245 17 H ILE 5 H ILE 5 -4.836 -12.828 -8.162 18 HA ILE 5 HA ILE 5 -4.678 -12.623 -5.334 19 HB ILE 5 HB ILE 5 -3.955 -10.284 -5.876 20 HG12 ILE 5 1HG1 ILE 5 -4.659 -10.863 -8.784 21 HG13 ILE 5 2HG1 ILE 5 -5.544 -9.781 -7.711 22 HG21 ILE 5 1HG2 ILE 5 -1.971 -10.941 -7.181 23 HG22 ILE 5 2HG2 ILE 5 -2.427 -12.284 -6.101 24 HG23 ILE 5 3HG2 ILE 5 -2.793 -12.343 -7.834 25 HD11 ILE 5 3HD1 ILE 5 -3.403 -8.476 -7.374 26 HD12 ILE 5 1HD1 ILE 5 -2.682 -9.440 -8.680 27 HD13 ILE 5 2HD1 ILE 5 -4.083 -8.415 -9.015 28 H ASP 6 H ASP 6 -7.358 -12.108 -7.387 29 HA ASP 6 HA ASP 6 -8.532 -9.785 -6.295 30 HB2 ASP 6 1HB ASP 6 -9.080 -10.943 -8.441 31 HB3 ASP 6 2HB ASP 6 -9.884 -12.193 -7.509 32 H GLN 7 H GLN 7 -8.467 -13.053 -5.001 33 HA GLN 7 HA GLN 7 -10.684 -12.949 -3.239 34 HB2 GLN 7 1HB GLN 7 -9.596 -14.811 -2.131 35 HB3 GLN 7 2HB GLN 7 -9.378 -14.980 -3.867 36 HG2 GLN 7 1HG GLN 7 -7.075 -13.874 -3.570 37 HG3 GLN 7 2HG GLN 7 -7.333 -14.023 -1.828 38 HE21 GLN 7 1HE2 GLN 7 -6.697 -15.735 -4.821 39 HE22 GLN 7 2HE2 GLN 7 -6.332 -17.288 -4.055 40 H TYR 8 H TYR 8 -7.482 -11.453 -3.022 41 HA TYR 8 HA TYR 8 -7.809 -10.855 -0.130 42 HB2 TYR 8 1HB TYR 8 -5.517 -10.191 -2.005 43 HB3 TYR 8 2HB TYR 8 -5.494 -10.113 -0.258 44 HD1 TYR 8 2HD TYR 8 -5.679 -12.281 1.072 45 HD2 TYR 8 1HD TYR 8 -4.816 -12.156 -3.160 46 HE1 TYR 8 2HE TYR 8 -4.905 -14.615 1.161 47 HE2 TYR 8 1HE TYR 8 -4.073 -14.529 -3.078 48 HH TYR 8 HH TYR 8 -5.114 -16.521 -1.052 49 H ALA 9 H ALA 9 -8.893 -9.507 -2.988 50 HA ALA 9 HA ALA 9 -7.767 -6.832 -2.698 51 HB1 ALA 9 1HB ALA 9 -8.155 -7.974 -4.922 52 HB2 ALA 9 2HB ALA 9 -9.890 -7.818 -4.648 53 HB3 ALA 9 3HB ALA 9 -8.872 -6.362 -4.776 54 H LEU 10 H LEU 10 -8.544 -6.135 -0.759 55 HA LEU 10 HA LEU 10 -11.346 -6.372 0.006 56 HB2 LEU 10 1HB LEU 10 -9.092 -4.713 1.236 57 HB3 LEU 10 2HB LEU 10 -10.691 -4.943 1.926 58 HG LEU 10 HG LEU 10 -8.514 -7.026 1.568 59 HD11 LEU 10 1HD1 LEU 10 -10.016 -6.176 4.067 60 HD12 LEU 10 2HD1 LEU 10 -8.536 -5.387 3.519 61 HD13 LEU 10 3HD1 LEU 10 -8.499 -7.124 3.920 62 HD21 LEU 10 3HD2 LEU 10 -10.588 -8.214 1.051 63 HD22 LEU 10 1HD2 LEU 10 -11.412 -7.454 2.437 64 HD23 LEU 10 2HD2 LEU 10 -10.090 -8.625 2.686 65 H LYS 11 H LYS 11 -12.733 -4.582 0.279 66 HA LYS 11 HA LYS 11 -12.116 -2.445 -1.680 67 HB2 LYS 11 1HB LYS 11 -14.530 -2.152 -1.942 68 HB3 LYS 11 2HB LYS 11 -14.018 -3.787 -2.365 69 HG2 LYS 11 1HG LYS 11 -14.802 -4.714 -0.312 70 HG3 LYS 11 2HG LYS 11 -15.011 -3.117 0.404 71 HD2 LYS 11 1HD LYS 11 -16.678 -3.966 -1.993 72 HD3 LYS 11 2HD LYS 11 -17.066 -4.518 -0.371 73 HE2 LYS 11 1HE LYS 11 -18.405 -2.608 -0.768 74 HE3 LYS 11 2HE LYS 11 -17.194 -2.193 0.445 75 HZ1 LYS 11 3HZ LYS 11 -15.948 -1.075 -1.293 76 HZ2 LYS 11 1HZ LYS 11 -17.412 -0.456 -1.114 77 HZ3 LYS 11 2HZ LYS 11 -17.157 -1.415 -2.416 78 H GLU 12 H GLU 12 -12.571 -3.114 1.670 79 HA GLU 12 HA GLU 12 -11.966 -0.402 2.277 80 HB2 GLU 12 1HB GLU 12 -13.859 -0.015 3.832 81 HB3 GLU 12 2HB GLU 12 -14.352 -0.143 2.158 82 HG2 GLU 12 1HG GLU 12 -14.743 -2.738 2.914 83 HG3 GLU 12 2HG GLU 12 -14.923 -1.959 4.490 84 H PHE 13 H PHE 13 -11.392 -0.165 4.573 85 HA PHE 13 HA PHE 13 -11.217 -2.437 6.315 86 HB2 PHE 13 1HB PHE 13 -8.845 -2.634 6.499 87 HB3 PHE 13 2HB PHE 13 -9.259 -2.899 4.835 88 HD1 PHE 13 1HD PHE 13 -9.051 -0.692 3.255 89 HD2 PHE 13 2HD PHE 13 -6.963 -1.303 6.974 90 HE1 PHE 13 1HE PHE 13 -7.305 0.911 2.546 91 HE2 PHE 13 2HE PHE 13 -5.134 0.190 6.165 92 HZ PHE 13 HZ PHE 13 -5.349 1.359 4.009 93 H THR 14 H THR 14 -9.749 -1.692 8.280 94 HA THR 14 HA THR 14 -9.968 1.241 8.635 95 HB THR 14 HB THR 14 -10.512 -0.821 10.785 96 HG1 THR 14 1HG THR 14 -12.542 -0.706 10.313 97 HG21 THR 14 3HG2 THR 14 -11.288 1.013 12.137 98 HG22 THR 14 1HG2 THR 14 -11.056 2.169 10.814 99 HG23 THR 14 2HG2 THR 14 -9.647 1.407 11.589 100 H ALA 15 H ALA 15 -8.070 2.132 9.224 101 HA ALA 15 HA ALA 15 -6.081 0.611 10.749 102 HB1 ALA 15 1HB ALA 15 -5.238 0.184 8.528 103 HB2 ALA 15 2HB ALA 15 -5.517 1.876 8.046 104 HB3 ALA 15 3HB ALA 15 -4.247 1.479 9.215 105 H ASP 16 H ASP 16 -4.585 2.161 11.733 106 HA ASP 16 HA ASP 16 -4.380 3.958 13.133 107 HB2 ASP 16 1HB ASP 16 -3.887 4.499 10.371 108 HB3 ASP 16 2HB ASP 16 -4.494 5.996 11.040 109 H PHE 17 H PHE 17 -6.918 3.163 13.155 110 HA PHE 17 HA PHE 17 -8.976 3.644 13.974 111 HB2 PHE 17 1HB PHE 17 -7.788 6.256 14.917 112 HB3 PHE 17 2HB PHE 17 -9.209 5.435 15.556 113 HD1 PHE 17 1HD PHE 17 -5.512 5.405 15.403 114 HD2 PHE 17 2HD PHE 17 -9.014 3.359 16.881 115 HE1 PHE 17 1HE PHE 17 -4.075 3.884 16.702 116 HE2 PHE 17 2HE PHE 17 -7.579 1.936 18.296 117 HZ PHE 17 HZ PHE 17 -5.077 2.163 18.174 118 H THR 18 H THR 18 -8.618 4.137 11.178 119 HA THR 18 HA THR 18 -10.755 6.111 10.674 120 HB THR 18 HB THR 18 -8.192 5.862 9.049 121 HG1 THR 18 1HG THR 18 -7.576 6.540 11.027 122 HG21 THR 18 3HG2 THR 18 -8.800 8.127 8.258 123 HG22 THR 18 1HG2 THR 18 -10.282 8.062 9.245 124 HG23 THR 18 2HG2 THR 18 -10.058 6.942 7.881 125 H GLN 19 H GLN 19 -12.209 5.216 9.177 126 HA GLN 19 HA GLN 19 -11.603 2.613 7.965 127 HB2 GLN 19 1HB GLN 19 -13.887 3.155 8.790 128 HB3 GLN 19 2HB GLN 19 -14.019 4.444 7.594 129 HG2 GLN 19 1HG GLN 19 -14.259 2.971 5.837 130 HG3 GLN 19 2HG GLN 19 -13.236 1.747 6.550 131 HE21 GLN 19 1HE2 GLN 19 -14.016 0.475 8.357 132 HE22 GLN 19 2HE2 GLN 19 -15.682 -0.043 8.239 133 H PHE 20 H PHE 20 -11.315 2.344 5.741 134 HA PHE 20 HA PHE 20 -11.078 4.740 3.987 135 HB2 PHE 20 1HB PHE 20 -9.076 2.444 4.164 136 HB3 PHE 20 2HB PHE 20 -9.045 3.773 3.024 137 HD1 PHE 20 2HD PHE 20 -8.542 6.143 3.896 138 HD2 PHE 20 1HD PHE 20 -8.164 2.613 6.337 139 HE1 PHE 20 2HE PHE 20 -7.147 7.411 5.491 140 HE2 PHE 20 1HE PHE 20 -6.734 3.891 7.924 141 HZ PHE 20 HZ PHE 20 -6.232 6.283 7.517 142 H HIS 21 H HIS 21 -11.709 4.310 1.873 143 HA HIS 21 HA HIS 21 -12.492 1.540 1.201 144 HB2 HIS 21 1HB HIS 21 -14.003 3.819 0.013 145 HB3 HIS 21 2HB HIS 21 -14.512 2.198 0.424 146 HD1 HIS 21 1HD HIS 21 -13.802 5.575 2.255 147 HD2 HIS 21 2HD HIS 21 -15.780 1.883 2.749 148 HE1 HIS 21 1HE HIS 21 -15.021 5.674 4.508 149 H ILE 22 H ILE 22 -12.642 1.507 -1.400 150 HA ILE 22 HA ILE 22 -10.047 2.371 -2.376 151 HB ILE 22 HB ILE 22 -12.458 1.537 -4.019 152 HG12 ILE 22 1HG1 ILE 22 -11.991 -0.297 -2.535 153 HG13 ILE 22 2HG1 ILE 22 -11.473 -0.715 -4.151 154 HG21 ILE 22 1HG2 ILE 22 -9.514 1.715 -4.726 155 HG22 ILE 22 2HG2 ILE 22 -10.729 0.898 -5.732 156 HG23 ILE 22 3HG2 ILE 22 -10.852 2.636 -5.433 157 HD11 ILE 22 3HD1 ILE 22 -9.858 -1.499 -2.518 158 HD12 ILE 22 1HD1 ILE 22 -9.094 -0.249 -3.513 159 HD13 ILE 22 2HD1 ILE 22 -9.652 0.118 -1.851 160 H GLY 23 H GLY 23 -9.477 4.341 -3.022 161 HA2 GLY 23 2HA GLY 23 -9.718 6.257 -4.290 162 HA3 GLY 23 1HA GLY 23 -11.462 6.199 -4.172 163 H ASP 24 H ASP 24 -10.413 5.679 -1.022 164 HA ASP 24 HA ASP 24 -10.748 8.466 -0.184 165 HB2 ASP 24 1HB ASP 24 -10.077 5.913 1.346 166 HB3 ASP 24 2HB ASP 24 -10.338 7.500 2.085 167 H THR 25 H THR 25 -8.770 8.945 1.764 168 HA THR 25 HA THR 25 -6.229 8.669 0.317 169 HB THR 25 HB THR 25 -6.269 11.119 1.441 170 HG1 THR 25 1HG THR 25 -8.257 12.096 0.771 171 HG21 THR 25 3HG2 THR 25 -5.598 10.631 -0.867 172 HG22 THR 25 1HG2 THR 25 -6.685 12.023 -0.847 173 HG23 THR 25 2HG2 THR 25 -7.307 10.433 -1.346 174 H VAL 26 H VAL 26 -4.511 8.162 1.508 175 HA VAL 26 HA VAL 26 -4.909 7.334 4.256 176 HB VAL 26 HB VAL 26 -2.594 6.637 4.229 177 HG11 VAL 26 1HG1 VAL 26 -3.761 6.010 1.513 178 HG12 VAL 26 2HG1 VAL 26 -2.601 5.035 2.446 179 HG13 VAL 26 3HG1 VAL 26 -4.259 5.228 3.039 180 HG21 VAL 26 3HG2 VAL 26 -1.078 6.958 2.320 181 HG22 VAL 26 1HG2 VAL 26 -2.270 8.016 1.538 182 HG23 VAL 26 2HG2 VAL 26 -1.504 8.506 3.049 183 HA PRO 27 HA PRO 27 -3.075 10.968 6.269 184 HB2 PRO 27 1HB PRO 27 -1.928 9.839 8.496 185 HB3 PRO 27 2HB PRO 27 -3.679 10.097 8.321 186 HG2 PRO 27 1HG PRO 27 -2.132 7.588 7.838 187 HG3 PRO 27 2HG PRO 27 -3.661 7.761 8.741 188 HD2 PRO 27 1HD PRO 27 -3.651 6.921 6.162 189 HD3 PRO 27 2HD PRO 27 -4.927 7.992 6.778 190 H ALA 28 H ALA 28 -0.943 11.824 6.701 191 HA ALA 28 HA ALA 28 1.031 10.944 4.883 192 HB1 ALA 28 1HB ALA 28 2.455 12.682 5.888 193 HB2 ALA 28 2HB ALA 28 0.814 13.293 5.620 194 HB3 ALA 28 3HB ALA 28 1.339 12.826 7.256 195 H MET 29 H MET 29 0.314 9.836 7.999 196 HA MET 29 HA MET 29 2.673 8.738 9.025 197 HB2 MET 29 1HB MET 29 -0.084 7.452 8.881 198 HB3 MET 29 2HB MET 29 1.186 6.968 9.991 199 HG2 MET 29 1HG MET 29 0.212 9.826 10.098 200 HG3 MET 29 2HG MET 29 -0.830 8.547 10.691 201 HE1 MET 29 3HE MET 29 2.727 10.215 11.131 202 HE2 MET 29 1HE MET 29 3.286 9.459 12.637 203 HE3 MET 29 2HE MET 29 3.190 8.489 11.158 204 H TYR 30 H TYR 30 0.895 7.781 6.142 205 HA TYR 30 HA TYR 30 2.736 5.448 5.757 206 HB2 TYR 30 1HB TYR 30 -0.003 6.047 4.589 207 HB3 TYR 30 2HB TYR 30 0.936 4.568 4.375 208 HD1 TYR 30 1HD TYR 30 1.765 3.458 6.602 209 HD2 TYR 30 2HD TYR 30 -1.586 6.097 6.370 210 HE1 TYR 30 1HE TYR 30 0.826 2.388 8.638 211 HE2 TYR 30 2HE TYR 30 -2.537 5.105 8.456 212 HH TYR 30 HH TYR 30 -1.575 3.648 10.519 213 H LEU 31 H LEU 31 2.214 8.634 4.604 214 HA LEU 31 HA LEU 31 3.158 8.077 1.860 215 HB2 LEU 31 1HB LEU 31 2.391 10.593 3.378 216 HB3 LEU 31 2HB LEU 31 3.145 10.663 1.800 217 HG LEU 31 HG LEU 31 0.790 8.815 2.069 218 HD11 LEU 31 1HD1 LEU 31 0.450 11.822 1.914 219 HD12 LEU 31 2HD1 LEU 31 -0.199 10.706 3.140 220 HD13 LEU 31 3HD1 LEU 31 -0.796 10.623 1.493 221 HD21 LEU 31 3HD2 LEU 31 1.558 10.782 -0.130 222 HD22 LEU 31 1HD2 LEU 31 0.546 9.327 -0.261 223 HD23 LEU 31 2HD2 LEU 31 2.278 9.175 0.009 224 H THR 32 H THR 32 4.476 8.768 4.996 225 HA THR 32 HA THR 32 7.048 9.739 4.304 226 HB THR 32 HB THR 32 6.165 9.530 6.602 227 HG1 THR 32 1HG THR 32 8.057 8.321 7.505 228 HG21 THR 32 3HG2 THR 32 4.914 7.476 6.447 229 HG22 THR 32 1HG2 THR 32 6.101 7.320 7.746 230 HG23 THR 32 2HG2 THR 32 6.386 6.543 6.180 231 HA PRO 33 HA PRO 33 8.616 6.149 2.076 232 HB2 PRO 33 1HB PRO 33 11.322 6.370 2.364 233 HB3 PRO 33 2HB PRO 33 10.318 7.436 1.338 234 HG2 PRO 33 1HG PRO 33 11.309 7.945 4.162 235 HG3 PRO 33 2HG PRO 33 11.390 9.047 2.752 236 HD2 PRO 33 1HD PRO 33 9.417 9.215 4.637 237 HD3 PRO 33 2HD PRO 33 9.096 9.560 2.910 238 H GLU 34 H GLU 34 8.755 6.385 5.435 239 HA GLU 34 HA GLU 34 10.421 4.307 6.268 240 HB2 GLU 34 1HB GLU 34 7.887 5.479 7.409 241 HB3 GLU 34 2HB GLU 34 8.711 4.194 8.242 242 HG2 GLU 34 1HG GLU 34 10.729 5.489 8.495 243 HG3 GLU 34 2HG GLU 34 10.147 6.729 7.356 244 H TYR 35 H TYR 35 7.295 3.907 4.636 245 HA TYR 35 HA TYR 35 7.289 1.018 5.355 246 HB2 TYR 35 1HB TYR 35 4.933 2.833 4.874 247 HB3 TYR 35 2HB TYR 35 4.874 1.139 5.221 248 HD1 TYR 35 2HD TYR 35 5.541 0.274 7.509 249 HD2 TYR 35 1HD TYR 35 5.407 4.493 6.592 250 HE1 TYR 35 2HE TYR 35 5.374 0.802 9.918 251 HE2 TYR 35 1HE TYR 35 5.268 5.020 8.985 252 HH TYR 35 HH TYR 35 4.374 3.583 11.249 253 H ASN 36 H ASN 36 8.325 2.721 2.828 254 HA ASN 36 HA ASN 36 6.805 2.127 0.622 255 HB2 ASN 36 1HB ASN 36 9.521 3.129 1.360 256 HB3 ASN 36 2HB ASN 36 9.430 2.394 -0.191 257 HD21 ASN 36 1HD2 ASN 36 9.706 4.353 -1.430 258 HD22 ASN 36 2HD2 ASN 36 8.351 5.463 -1.501 259 H ILE 37 H ILE 37 6.263 0.078 -0.073 260 HA ILE 37 HA ILE 37 8.080 -2.185 0.216 261 HB ILE 37 HB ILE 37 5.381 -2.005 -1.158 262 HG12 ILE 37 1HG1 ILE 37 5.147 -1.674 1.269 263 HG13 ILE 37 2HG1 ILE 37 4.504 -3.217 0.767 264 HG21 ILE 37 1HG2 ILE 37 6.528 -3.855 -2.164 265 HG22 ILE 37 2HG2 ILE 37 7.163 -4.420 -0.613 266 HG23 ILE 37 3HG2 ILE 37 5.421 -4.528 -0.981 267 HD11 ILE 37 3HD1 ILE 37 6.612 -4.339 1.577 268 HD12 ILE 37 1HD1 ILE 37 7.172 -2.756 2.162 269 HD13 ILE 37 2HD1 ILE 37 5.720 -3.503 2.838 270 H LYS 38 H LYS 38 9.837 -1.133 -0.865 271 HA LYS 38 HA LYS 38 9.728 -0.804 -3.733 272 HB2 LYS 38 1HB LYS 38 12.099 -1.330 -1.898 273 HB3 LYS 38 2HB LYS 38 12.217 -1.189 -3.659 274 HG2 LYS 38 1HG LYS 38 10.850 1.066 -3.234 275 HG3 LYS 38 2HG LYS 38 11.572 0.968 -1.641 276 HD2 LYS 38 1HD LYS 38 13.119 0.864 -4.287 277 HD3 LYS 38 2HD LYS 38 12.785 2.351 -3.381 278 HE2 LYS 38 1HE LYS 38 13.997 1.420 -1.428 279 HE3 LYS 38 2HE LYS 38 14.416 -0.016 -2.375 280 HZ1 LYS 38 3HZ LYS 38 15.130 2.713 -3.240 281 HZ2 LYS 38 1HZ LYS 38 15.817 1.265 -3.736 282 HZ3 LYS 38 2HZ LYS 38 16.066 1.844 -2.229 283 H GLN 39 H GLN 39 10.039 -3.627 -1.632 284 HA GLN 39 HA GLN 39 11.157 -5.300 -3.624 285 HB2 GLN 39 1HB GLN 39 11.286 -5.312 -1.025 286 HB3 GLN 39 2HB GLN 39 9.773 -6.216 -1.079 287 HG2 GLN 39 1HG GLN 39 11.622 -7.750 -0.858 288 HG3 GLN 39 2HG GLN 39 10.971 -7.934 -2.484 289 HE21 GLN 39 1HE2 GLN 39 13.577 -6.403 -0.596 290 HE22 GLN 39 2HE2 GLN 39 14.724 -6.281 -1.928 291 H TRP 40 H TRP 40 8.696 -4.240 -4.777 292 HA TRP 40 HA TRP 40 6.606 -6.191 -4.403 293 HB2 TRP 40 1HB TRP 40 5.351 -4.971 -5.949 294 HB3 TRP 40 2HB TRP 40 6.058 -3.860 -4.780 295 HD1 TRP 40 HD TRP 40 7.668 -2.007 -5.769 296 HE1 TRP 40 1HE TRP 40 8.180 -1.176 -8.186 297 HE3 TRP 40 3HE TRP 40 5.520 -5.836 -8.411 298 HZ2 TRP 40 2HZ TRP 40 7.750 -2.147 -10.897 299 HZ3 TRP 40 3HZ TRP 40 5.643 -5.885 -10.868 300 HH2 TRP 40 HH TRP 40 6.739 -4.047 -12.110 301 H GLN 41 H GLN 41 9.103 -5.774 -6.987 302 HA GLN 41 HA GLN 41 7.865 -7.641 -8.776 303 HB2 GLN 41 1HB GLN 41 10.577 -6.445 -8.446 304 HB3 GLN 41 2HB GLN 41 10.547 -7.963 -9.288 305 HG2 GLN 41 1HG GLN 41 8.808 -5.602 -10.081 306 HG3 GLN 41 2HG GLN 41 10.440 -5.844 -10.683 307 HE21 GLN 41 1HE2 GLN 41 10.289 -8.831 -11.054 308 HE22 GLN 41 2HE2 GLN 41 9.311 -8.923 -12.515 309 H GLN 42 H GLN 42 9.894 -8.131 -5.899 310 HA GLN 42 HA GLN 42 9.896 -11.075 -6.260 311 HB2 GLN 42 1HB GLN 42 11.004 -9.350 -4.053 312 HB3 GLN 42 2HB GLN 42 11.081 -11.105 -4.139 313 HG2 GLN 42 1HG GLN 42 12.202 -10.783 -6.441 314 HG3 GLN 42 2HG GLN 42 12.483 -9.116 -5.918 315 HE21 GLN 42 1HE2 GLN 42 14.473 -11.244 -6.445 316 HE22 GLN 42 2HE2 GLN 42 15.301 -11.550 -4.949 317 H ARG 43 H ARG 43 7.271 -9.561 -6.020 318 HA ARG 43 HA ARG 43 6.111 -11.208 -3.894 319 HB2 ARG 43 1HB ARG 43 5.807 -8.202 -4.212 320 HB3 ARG 43 2HB ARG 43 4.435 -9.136 -3.659 321 HG2 ARG 43 1HG ARG 43 5.550 -9.928 -1.731 322 HG3 ARG 43 2HG ARG 43 7.122 -9.516 -2.388 323 HD2 ARG 43 1HD ARG 43 6.166 -7.019 -2.301 324 HD3 ARG 43 2HD ARG 43 5.162 -7.733 -1.019 325 HE ARG 43 HE ARG 43 8.113 -8.134 -1.171 326 HH11 ARG 43 1HH1 ARG 43 5.396 -7.022 0.862 327 HH12 ARG 43 2HH1 ARG 43 6.328 -7.063 2.311 328 HH21 ARG 43 1HH2 ARG 43 9.136 -8.538 0.709 329 HH22 ARG 43 2HH2 ARG 43 8.395 -8.178 2.246 330 H ASN 44 H ASN 44 3.795 -11.412 -4.303 331 HA ASN 44 HA ASN 44 3.328 -12.117 -7.079 332 HB2 ASN 44 1HB ASN 44 1.484 -12.089 -4.646 333 HB3 ASN 44 2HB ASN 44 1.110 -12.818 -6.202 334 HD21 ASN 44 1HD2 ASN 44 1.164 -15.114 -5.901 335 HD22 ASN 44 2HD2 ASN 44 2.199 -15.771 -4.606 336 H LEU 45 H LEU 45 2.851 -9.340 -5.068 337 HA LEU 45 HA LEU 45 0.451 -8.282 -5.983 338 HB2 LEU 45 1HB LEU 45 2.962 -6.878 -5.041 339 HB3 LEU 45 2HB LEU 45 1.450 -6.016 -5.384 340 HG LEU 45 HG LEU 45 1.495 -8.295 -3.376 341 HD11 LEU 45 1HD1 LEU 45 3.227 -6.736 -2.654 342 HD12 LEU 45 2HD1 LEU 45 1.794 -6.548 -1.616 343 HD13 LEU 45 3HD1 LEU 45 2.134 -5.357 -2.887 344 HD21 LEU 45 3HD2 LEU 45 -0.448 -7.050 -2.464 345 HD22 LEU 45 1HD2 LEU 45 -0.721 -7.486 -4.153 346 HD23 LEU 45 2HD2 LEU 45 -0.276 -5.818 -3.729 347 HA PRO 46 HA PRO 46 1.311 -6.810 -10.048 348 HB2 PRO 46 1HB PRO 46 -0.448 -4.662 -10.231 349 HB3 PRO 46 2HB PRO 46 -0.983 -6.351 -10.355 350 HG2 PRO 46 1HG PRO 46 -1.090 -4.534 -8.013 351 HG3 PRO 46 2HG PRO 46 -2.293 -5.740 -8.541 352 HD2 PRO 46 1HD PRO 46 -0.554 -6.154 -6.489 353 HD3 PRO 46 2HD PRO 46 -1.137 -7.488 -7.534 354 H ALA 47 H ALA 47 2.051 -4.934 -11.176 355 HA ALA 47 HA ALA 47 4.120 -3.429 -9.866 356 HB1 ALA 47 1HB ALA 47 4.063 -4.014 -12.321 357 HB2 ALA 47 2HB ALA 47 2.690 -2.902 -12.517 358 HB3 ALA 47 3HB ALA 47 4.285 -2.281 -12.052 359 HA PRO 48 HA PRO 48 1.659 0.096 -8.468 360 HB2 PRO 48 1HB PRO 48 3.326 2.236 -8.869 361 HB3 PRO 48 2HB PRO 48 3.581 1.044 -7.569 362 HG2 PRO 48 1HG PRO 48 4.851 1.100 -10.342 363 HG3 PRO 48 2HG PRO 48 5.684 0.943 -8.766 364 HD2 PRO 48 1HD PRO 48 5.085 -1.221 -10.280 365 HD3 PRO 48 2HD PRO 48 4.915 -1.301 -8.500 366 H ASP 49 H ASP 49 0.633 2.051 -9.384 367 HA ASP 49 HA ASP 49 0.225 2.047 -12.303 368 HB2 ASP 49 1HB ASP 49 -0.784 3.869 -10.067 369 HB3 ASP 49 2HB ASP 49 -1.025 4.191 -11.751 370 H ALA 50 H ALA 50 0.619 4.320 -13.305 371 HA ALA 50 HA ALA 50 3.475 4.824 -13.076 372 HB1 ALA 50 1HB ALA 50 2.386 4.591 -15.238 373 HB2 ALA 50 2HB ALA 50 1.306 5.961 -14.865 374 HB3 ALA 50 3HB ALA 50 3.060 6.206 -15.072 375 H GLY 51 H GLY 51 2.907 5.593 -10.747 376 HA2 GLY 51 2HA GLY 51 3.899 7.953 -10.063 377 HA3 GLY 51 1HA GLY 51 2.279 8.493 -10.523 378 H SER 52 H SER 52 3.359 5.457 -8.810 379 HA SER 52 HA SER 52 2.007 6.275 -6.366 380 HB2 SER 52 1HB SER 52 0.403 4.365 -6.485 381 HB3 SER 52 2HB SER 52 0.137 5.536 -7.781 382 HG SER 52 HG SER 52 1.564 4.091 -9.057 383 H HIS 53 H HIS 53 2.131 4.374 -4.725 384 HA HIS 53 HA HIS 53 4.323 2.485 -5.247 385 HB2 HIS 53 1HB HIS 53 5.232 4.692 -4.313 386 HB3 HIS 53 2HB HIS 53 4.352 4.299 -2.818 387 HD1 HIS 53 1HD HIS 53 7.260 3.126 -5.044 388 HD2 HIS 53 2HD HIS 53 5.626 2.586 -1.193 389 HE1 HIS 53 1HE HIS 53 8.878 1.631 -3.788 390 H TRP 54 H TRP 54 4.456 0.909 -3.525 391 HA TRP 54 HA TRP 54 1.756 0.352 -2.344 392 HB2 TRP 54 1HB TRP 54 4.034 -1.502 -3.101 393 HB3 TRP 54 2HB TRP 54 2.668 -1.991 -2.116 394 HD1 TRP 54 HD TRP 54 3.532 -1.141 -5.730 395 HE1 TRP 54 1HE TRP 54 1.612 -2.039 -7.243 396 HE3 TRP 54 3HE TRP 54 0.032 -2.150 -2.143 397 HZ2 TRP 54 2HZ TRP 54 -1.100 -2.851 -6.916 398 HZ3 TRP 54 3HZ TRP 54 -2.251 -2.896 -2.772 399 HH2 TRP 54 HH TRP 54 -2.833 -3.214 -5.170 400 H THR 55 H THR 55 1.535 0.163 -0.093 401 HA THR 55 HA THR 55 4.014 0.426 1.540 402 HB THR 55 HB THR 55 2.928 2.242 2.763 403 HG1 THR 55 1HG THR 55 0.967 2.069 0.690 404 HG21 THR 55 3HG2 THR 55 3.022 2.866 -0.194 405 HG22 THR 55 1HG2 THR 55 4.430 2.768 0.894 406 HG23 THR 55 2HG2 THR 55 3.186 3.994 1.174 407 H TYR 56 H TYR 56 3.632 -0.046 3.888 408 HA TYR 56 HA TYR 56 1.947 -2.440 3.921 409 HB2 TYR 56 1HB TYR 56 4.387 -2.564 4.247 410 HB3 TYR 56 2HB TYR 56 4.238 -1.615 5.717 411 HD1 TYR 56 2HD TYR 56 1.943 -4.398 4.540 412 HD2 TYR 56 1HD TYR 56 4.994 -3.165 7.336 413 HE1 TYR 56 2HE TYR 56 1.501 -6.363 5.862 414 HE2 TYR 56 1HE TYR 56 4.662 -5.251 8.616 415 HH TYR 56 HH TYR 56 2.427 -7.832 7.568 416 H MET 57 H MET 57 0.072 -1.036 4.239 417 HA MET 57 HA MET 57 -0.127 0.796 6.479 418 HB2 MET 57 1HB MET 57 -1.208 0.653 4.001 419 HB3 MET 57 2HB MET 57 -2.576 0.049 4.875 420 HG2 MET 57 1HG MET 57 -1.162 2.597 5.695 421 HG3 MET 57 2HG MET 57 -2.310 2.574 4.360 422 HE1 MET 57 3HE MET 57 -4.781 3.703 5.099 423 HE2 MET 57 1HE MET 57 -4.501 4.391 6.717 424 HE3 MET 57 2HE MET 57 -3.234 4.497 5.482 425 H GLY 58 H GLY 58 -0.256 -0.191 8.494 426 HA2 GLY 58 2HA GLY 58 -1.307 -1.254 10.240 427 HA3 GLY 58 1HA GLY 58 -2.742 -1.298 9.231 428 H GLY 59 H GLY 59 -0.012 -3.030 7.805 429 HA2 GLY 59 2HA GLY 59 0.456 -5.369 8.118 430 HA3 GLY 59 1HA GLY 59 -1.178 -5.607 8.727 431 H ASN 60 H ASN 60 -1.593 -3.430 6.158 432 HA ASN 60 HA ASN 60 -2.229 -5.666 4.331 433 HB2 ASN 60 1HB ASN 60 -3.416 -2.878 4.446 434 HB3 ASN 60 2HB ASN 60 -4.067 -4.308 3.652 435 HD21 ASN 60 1HD2 ASN 60 -4.779 -2.366 6.153 436 HD22 ASN 60 2HD2 ASN 60 -5.432 -3.505 7.302 437 H TYR 61 H TYR 61 -2.075 -5.012 1.936 438 HA TYR 61 HA TYR 61 0.280 -3.229 1.520 439 HB2 TYR 61 1HB TYR 61 -0.783 -5.565 -0.099 440 HB3 TYR 61 2HB TYR 61 0.470 -4.458 -0.642 441 HD1 TYR 61 1HD TYR 61 2.484 -4.081 0.987 442 HD2 TYR 61 2HD TYR 61 -0.135 -7.485 1.164 443 HE1 TYR 61 1HE TYR 61 4.221 -5.338 2.254 444 HE2 TYR 61 2HE TYR 61 1.601 -8.759 2.399 445 HH TYR 61 HH TYR 61 3.692 -8.558 3.644 446 H VAL 62 H VAL 62 -0.344 -1.189 0.856 447 HA VAL 62 HA VAL 62 -2.845 -1.064 -0.774 448 HB VAL 62 HB VAL 62 -3.694 0.664 0.485 449 HG11 VAL 62 1HG1 VAL 62 -3.871 -1.579 1.565 450 HG12 VAL 62 2HG1 VAL 62 -2.517 -1.143 2.627 451 HG13 VAL 62 3HG1 VAL 62 -4.030 -0.219 2.676 452 HG21 VAL 62 3HG2 VAL 62 -1.737 2.058 0.855 453 HG22 VAL 62 1HG2 VAL 62 -2.520 1.746 2.388 454 HG23 VAL 62 2HG2 VAL 62 -1.025 0.862 1.924 455 H LEU 63 H LEU 63 -2.838 0.255 -2.432 456 HA LEU 63 HA LEU 63 -0.196 1.266 -3.332 457 HB2 LEU 63 1HB LEU 63 -1.421 -0.244 -4.786 458 HB3 LEU 63 2HB LEU 63 -2.815 0.817 -4.805 459 HG LEU 63 HG LEU 63 -1.484 2.559 -5.954 460 HD11 LEU 63 1HD1 LEU 63 0.785 0.627 -5.508 461 HD12 LEU 63 2HD1 LEU 63 0.726 2.382 -5.308 462 HD13 LEU 63 3HD1 LEU 63 0.812 1.690 -6.922 463 HD21 LEU 63 3HD2 LEU 63 -1.271 1.435 -8.121 464 HD22 LEU 63 1HD2 LEU 63 -2.708 0.858 -7.278 465 HD23 LEU 63 2HD2 LEU 63 -1.242 -0.156 -7.327 466 H ILE 64 H ILE 64 0.209 3.343 -2.831 467 HA ILE 64 HA ILE 64 -2.046 5.280 -2.605 468 HB ILE 64 HB ILE 64 -0.422 6.579 -1.235 469 HG12 ILE 64 1HG1 ILE 64 1.270 4.104 -0.891 470 HG13 ILE 64 2HG1 ILE 64 1.671 5.268 -2.150 471 HG21 ILE 64 1HG2 ILE 64 -2.187 5.182 -0.277 472 HG22 ILE 64 2HG2 ILE 64 -1.087 3.780 -0.280 473 HG23 ILE 64 3HG2 ILE 64 -0.746 5.161 0.773 474 HD11 ILE 64 3HD1 ILE 64 2.955 5.812 -0.191 475 HD12 ILE 64 1HD1 ILE 64 1.780 7.084 -0.520 476 HD13 ILE 64 2HD1 ILE 64 1.481 5.928 0.801 477 H THR 65 H THR 65 -1.934 7.270 -3.790 478 HA THR 65 HA THR 65 -0.137 7.318 -6.046 479 HB THR 65 HB THR 65 -1.288 9.873 -5.565 480 HG1 THR 65 1HG THR 65 -3.217 7.815 -5.238 481 HG21 THR 65 3HG2 THR 65 -2.082 7.494 -7.254 482 HG22 THR 65 1HG2 THR 65 -1.023 8.867 -7.727 483 HG23 THR 65 2HG2 THR 65 -2.769 9.120 -7.486 484 H ASP 66 H ASP 66 1.649 8.630 -6.281 485 HA ASP 66 HA ASP 66 3.171 9.015 -3.881 486 HB2 ASP 66 1HB ASP 66 3.852 8.528 -6.353 487 HB3 ASP 66 2HB ASP 66 3.739 10.266 -6.609 488 H THR 67 H THR 67 0.926 10.942 -5.314 489 HA THR 67 HA THR 67 1.972 13.509 -4.246 490 HB THR 67 HB THR 67 2.701 12.941 -6.517 491 HG1 THR 67 1HG THR 67 2.379 15.066 -5.894 492 HG21 THR 67 3HG2 THR 67 1.160 12.904 -8.420 493 HG22 THR 67 1HG2 THR 67 -0.222 13.031 -7.320 494 HG23 THR 67 2HG2 THR 67 0.777 11.572 -7.324 495 H GLU 68 H GLU 68 -0.095 11.676 -3.253 496 HA GLU 68 HA GLU 68 -2.094 13.577 -2.581 497 HB2 GLU 68 1HB GLU 68 -2.955 12.930 -4.852 498 HB3 GLU 68 2HB GLU 68 -2.986 11.246 -4.341 499 HG2 GLU 68 1HG GLU 68 -5.169 12.034 -4.196 500 HG3 GLU 68 2HG GLU 68 -4.588 11.904 -2.538 501 H GLY 69 H GLY 69 -1.223 10.120 -2.965 502 HA2 GLY 69 2HA GLY 69 -1.301 8.362 -1.569 503 HA3 GLY 69 1HA GLY 69 -1.734 9.395 -0.216 504 H LYS 70 H LYS 70 -3.553 9.399 -3.221 505 HA LYS 70 HA LYS 70 -6.024 8.594 -2.024 506 HB2 LYS 70 1HB LYS 70 -5.331 9.837 -4.375 507 HB3 LYS 70 2HB LYS 70 -5.555 8.204 -4.953 508 HG2 LYS 70 1HG LYS 70 -7.788 8.943 -3.205 509 HG3 LYS 70 2HG LYS 70 -7.509 10.228 -4.360 510 HD2 LYS 70 1HD LYS 70 -7.965 7.301 -4.990 511 HD3 LYS 70 2HD LYS 70 -9.155 8.598 -5.156 512 HE2 LYS 70 1HE LYS 70 -6.572 8.255 -6.750 513 HE3 LYS 70 2HE LYS 70 -8.211 7.955 -7.336 514 HZ1 LYS 70 3HZ LYS 70 -7.294 10.628 -6.422 515 HZ2 LYS 70 1HZ LYS 70 -8.682 10.259 -7.216 516 HZ3 LYS 70 2HZ LYS 70 -7.191 10.135 -7.956 517 H ILE 71 H ILE 71 -6.813 6.624 -1.791 518 HA ILE 71 HA ILE 71 -5.039 4.379 -1.846 519 HB ILE 71 HB ILE 71 -7.920 4.765 -0.923 520 HG12 ILE 71 1HG1 ILE 71 -5.244 4.507 0.562 521 HG13 ILE 71 2HG1 ILE 71 -6.062 6.037 0.271 522 HG21 ILE 71 1HG2 ILE 71 -7.727 2.635 0.287 523 HG22 ILE 71 2HG2 ILE 71 -7.573 2.362 -1.440 524 HG23 ILE 71 3HG2 ILE 71 -6.122 2.346 -0.413 525 HD11 ILE 71 3HD1 ILE 71 -8.000 5.187 1.596 526 HD12 ILE 71 1HD1 ILE 71 -6.962 3.817 2.094 527 HD13 ILE 71 2HD1 ILE 71 -6.508 5.485 2.494 528 H LEU 72 H LEU 72 -4.590 3.967 -3.932 529 HA LEU 72 HA LEU 72 -6.644 3.817 -5.962 530 HB2 LEU 72 1HB LEU 72 -3.833 2.664 -6.033 531 HB3 LEU 72 2HB LEU 72 -4.917 2.872 -7.399 532 HG LEU 72 HG LEU 72 -3.516 5.049 -5.800 533 HD11 LEU 72 1HD1 LEU 72 -2.122 3.992 -7.474 534 HD12 LEU 72 2HD1 LEU 72 -2.607 5.557 -8.118 535 HD13 LEU 72 3HD1 LEU 72 -3.409 4.083 -8.674 536 HD21 LEU 72 3HD2 LEU 72 -5.650 5.373 -7.967 537 HD22 LEU 72 1HD2 LEU 72 -4.591 6.681 -7.376 538 HD23 LEU 72 2HD2 LEU 72 -5.754 5.914 -6.284 539 H LYS 73 H LYS 73 -4.918 1.324 -3.994 540 HA LYS 73 HA LYS 73 -7.039 -0.600 -4.509 541 HB2 LYS 73 1HB LYS 73 -4.179 -1.064 -5.485 542 HB3 LYS 73 2HB LYS 73 -5.323 -2.367 -5.173 543 HG2 LYS 73 1HG LYS 73 -6.921 -1.333 -6.793 544 HG3 LYS 73 2HG LYS 73 -5.682 -0.165 -7.243 545 HD2 LYS 73 1HD LYS 73 -5.289 -3.176 -7.379 546 HD3 LYS 73 2HD LYS 73 -5.923 -2.223 -8.703 547 HE2 LYS 73 1HE LYS 73 -3.249 -1.506 -7.475 548 HE3 LYS 73 2HE LYS 73 -3.375 -2.815 -8.664 549 HZ1 LYS 73 3HZ LYS 73 -2.859 -0.777 -9.743 550 HZ2 LYS 73 1HZ LYS 73 -4.238 -0.019 -9.218 551 HZ3 LYS 73 2HZ LYS 73 -4.323 -1.313 -10.219 552 H VAL 74 H VAL 74 -6.780 -2.509 -3.119 553 HA VAL 74 HA VAL 74 -4.740 -2.380 -0.998 554 HB VAL 74 HB VAL 74 -7.754 -2.733 -0.640 555 HG11 VAL 74 1HG1 VAL 74 -5.546 -2.944 1.481 556 HG12 VAL 74 2HG1 VAL 74 -7.288 -2.904 1.770 557 HG13 VAL 74 3HG1 VAL 74 -6.583 -4.252 0.894 558 HG21 VAL 74 3HG2 VAL 74 -7.606 -0.751 0.835 559 HG22 VAL 74 1HG2 VAL 74 -5.896 -0.534 0.390 560 HG23 VAL 74 2HG2 VAL 74 -7.192 -0.355 -0.820 561 H TYR 75 H TYR 75 -4.012 -4.444 -0.508 562 HA TYR 75 HA TYR 75 -5.603 -6.795 -1.217 563 HB2 TYR 75 1HB TYR 75 -2.708 -6.405 -2.010 564 HB3 TYR 75 2HB TYR 75 -3.484 -7.982 -1.851 565 HD1 TYR 75 1HD TYR 75 -5.367 -8.647 -3.392 566 HD2 TYR 75 2HD TYR 75 -3.146 -5.031 -3.941 567 HE1 TYR 75 1HE TYR 75 -6.204 -8.526 -5.674 568 HE2 TYR 75 2HE TYR 75 -4.020 -4.853 -6.279 569 HH TYR 75 HH TYR 75 -5.827 -5.735 -7.783 570 H ASP 76 H ASP 76 -5.440 -8.246 0.636 571 HA ASP 76 HA ASP 76 -4.312 -7.169 2.995 572 HB2 ASP 76 1HB ASP 76 -6.237 -8.864 2.762 573 HB3 ASP 76 2HB ASP 76 -4.990 -10.107 2.638 574 H GLY 77 H GLY 77 -2.772 -8.093 4.497 575 HA2 GLY 77 2HA GLY 77 -0.110 -8.356 3.555 576 HA3 GLY 77 1HA GLY 77 -0.733 -8.778 5.146 577 H GLU 78 H GLU 78 -2.681 -10.692 4.205 578 HA GLU 78 HA GLU 78 -1.453 -13.144 4.272 579 HB2 GLU 78 1HB GLU 78 -3.973 -12.179 2.884 580 HB3 GLU 78 2HB GLU 78 -3.594 -13.888 3.036 581 HG2 GLU 78 1HG GLU 78 -3.538 -12.229 5.567 582 HG3 GLU 78 2HG GLU 78 -5.099 -12.587 4.834 583 H ILE 79 H ILE 79 -1.871 -11.063 1.416 584 HA ILE 79 HA ILE 79 -1.393 -13.056 -0.528 585 HB ILE 79 HB ILE 79 -2.531 -10.737 -0.626 586 HG12 ILE 79 1HG1 ILE 79 -0.684 -11.455 -2.929 587 HG13 ILE 79 2HG1 ILE 79 -2.146 -12.338 -2.528 588 HG21 ILE 79 1HG2 ILE 79 0.165 -9.711 -1.597 589 HG22 ILE 79 2HG2 ILE 79 -1.300 -8.807 -1.151 590 HG23 ILE 79 3HG2 ILE 79 -0.305 -9.546 0.104 591 HD11 ILE 79 3HD1 ILE 79 -3.460 -10.172 -2.715 592 HD12 ILE 79 1HD1 ILE 79 -2.011 -9.428 -3.408 593 HD13 ILE 79 2HD1 ILE 79 -2.776 -10.803 -4.212 594 H PHE 80 H PHE 80 0.837 -11.642 1.662 595 HA PHE 80 HA PHE 80 3.178 -11.580 -0.057 596 HB2 PHE 80 1HB PHE 80 3.037 -10.337 2.093 597 HB3 PHE 80 2HB PHE 80 2.918 -11.861 2.962 598 HD1 PHE 80 2HD PHE 80 5.128 -10.198 0.409 599 HD2 PHE 80 1HD PHE 80 4.896 -12.821 3.796 600 HE1 PHE 80 2HE PHE 80 7.576 -10.605 0.281 601 HE2 PHE 80 1HE PHE 80 7.347 -13.142 3.746 602 HZ PHE 80 HZ PHE 80 8.687 -12.050 1.945 603 H TYR 81 H TYR 81 1.514 -14.048 1.857 604 HA TYR 81 HA TYR 81 3.768 -15.887 1.660 605 HB2 TYR 81 1HB TYR 81 1.057 -16.295 2.945 606 HB3 TYR 81 2HB TYR 81 2.517 -17.236 3.232 607 HD1 TYR 81 1HD TYR 81 4.396 -16.281 4.578 608 HD2 TYR 81 2HD TYR 81 0.752 -14.061 3.943 609 HE1 TYR 81 1HE TYR 81 5.166 -14.534 6.167 610 HE2 TYR 81 2HE TYR 81 1.540 -12.292 5.443 611 HH TYR 81 HH TYR 81 4.666 -12.425 7.169 612 H HIS 82 H HIS 82 0.982 -15.177 -0.136 613 HA HIS 82 HA HIS 82 0.052 -17.640 -1.175 614 HB2 HIS 82 1HB HIS 82 -1.087 -15.373 -1.165 615 HB3 HIS 82 2HB HIS 82 0.128 -14.791 -2.291 616 HD1 HIS 82 1HD HIS 82 -2.690 -17.458 -2.212 617 HD2 HIS 82 2HD HIS 82 -0.681 -14.737 -4.710 618 HE1 HIS 82 1HE HIS 82 -3.941 -17.450 -4.414 619 H ARG 83 H ARG 83 0.727 -18.735 -3.141 620 HA ARG 83 HA ARG 83 2.594 -17.520 -4.926 621 HB2 ARG 83 1HB ARG 83 3.420 -20.125 -3.581 622 HB3 ARG 83 2HB ARG 83 4.202 -19.349 -4.962 623 HG2 ARG 83 1HG ARG 83 4.626 -17.354 -3.344 624 HG3 ARG 83 2HG ARG 83 4.273 -18.538 -2.065 625 HD2 ARG 83 1HD ARG 83 6.033 -19.952 -3.628 626 HD3 ARG 83 2HD ARG 83 6.577 -18.300 -3.966 627 HE ARG 83 HE ARG 83 7.329 -19.832 -1.861 628 HH11 ARG 83 1HH1 ARG 83 6.015 -16.504 -2.105 629 HH12 ARG 83 2HH1 ARG 83 6.870 -15.960 -0.724 630 HH21 ARG 83 1HH2 ARG 83 8.307 -19.132 0.022 631 HH22 ARG 83 2HH2 ARG 83 8.122 -17.496 0.576 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.801 -21.694 -8.117 2 HA2 GLY 1 2HA GLY 1 -12.077 -22.882 -10.286 3 HA3 GLY 1 1HA GLY 1 -13.180 -21.561 -10.742 4 H ALA 2 H ALA 2 -12.288 -19.352 -10.894 5 HA ALA 2 HA ALA 2 -9.451 -19.039 -11.397 6 HB1 ALA 2 1HB ALA 2 -11.103 -17.454 -12.289 7 HB2 ALA 2 2HB ALA 2 -11.670 -17.083 -10.633 8 HB3 ALA 2 3HB ALA 2 -10.030 -16.660 -11.143 9 H ALA 3 H ALA 3 -7.900 -18.483 -9.863 10 HA ALA 3 HA ALA 3 -8.567 -18.078 -7.044 11 HB1 ALA 3 1HB ALA 3 -8.569 -20.559 -7.301 12 HB2 ALA 3 2HB ALA 3 -6.934 -20.481 -7.987 13 HB3 ALA 3 3HB ALA 3 -7.219 -20.001 -6.300 14 H GLY 4 H GLY 4 -7.589 -16.083 -8.558 15 HA2 GLY 4 2HA GLY 4 -4.697 -16.012 -7.957 16 HA3 GLY 4 1HA GLY 4 -5.479 -15.061 -9.237 17 H ILE 5 H ILE 5 -4.350 -13.444 -7.977 18 HA ILE 5 HA ILE 5 -4.683 -12.942 -5.323 19 HB ILE 5 HB ILE 5 -3.751 -10.794 -5.621 20 HG12 ILE 5 1HG1 ILE 5 -4.227 -10.849 -8.611 21 HG13 ILE 5 2HG1 ILE 5 -5.112 -9.864 -7.433 22 HG21 ILE 5 1HG2 ILE 5 -2.529 -12.436 -7.848 23 HG22 ILE 5 2HG2 ILE 5 -1.693 -11.400 -6.699 24 HG23 ILE 5 3HG2 ILE 5 -2.393 -12.922 -6.132 25 HD11 ILE 5 3HD1 ILE 5 -3.435 -8.419 -8.266 26 HD12 ILE 5 1HD1 ILE 5 -2.861 -8.917 -6.674 27 HD13 ILE 5 2HD1 ILE 5 -2.173 -9.644 -8.143 28 H ASP 6 H ASP 6 -7.062 -12.278 -7.622 29 HA ASP 6 HA ASP 6 -8.495 -10.109 -6.646 30 HB2 ASP 6 1HB ASP 6 -8.824 -11.329 -8.717 31 HB3 ASP 6 2HB ASP 6 -9.394 -12.752 -7.857 32 H GLN 7 H GLN 7 -8.279 -13.394 -5.424 33 HA GLN 7 HA GLN 7 -10.495 -13.326 -3.615 34 HB2 GLN 7 1HB GLN 7 -9.616 -15.312 -2.661 35 HB3 GLN 7 2HB GLN 7 -9.297 -15.376 -4.395 36 HG2 GLN 7 1HG GLN 7 -6.934 -14.449 -3.763 37 HG3 GLN 7 2HG GLN 7 -7.340 -14.898 -2.116 38 HE21 GLN 7 1HE2 GLN 7 -6.534 -16.035 -5.304 39 HE22 GLN 7 2HE2 GLN 7 -6.299 -17.738 -4.882 40 H TYR 8 H TYR 8 -7.393 -11.735 -3.370 41 HA TYR 8 HA TYR 8 -7.843 -11.153 -0.466 42 HB2 TYR 8 1HB TYR 8 -5.311 -10.550 -2.014 43 HB3 TYR 8 2HB TYR 8 -5.546 -10.601 -0.276 44 HD1 TYR 8 1HD TYR 8 -5.667 -12.797 0.918 45 HD2 TYR 8 2HD TYR 8 -4.831 -12.465 -3.284 46 HE1 TYR 8 1HE TYR 8 -4.792 -15.129 0.915 47 HE2 TYR 8 2HE TYR 8 -4.008 -14.807 -3.333 48 HH TYR 8 HH TYR 8 -3.450 -16.663 -0.422 49 H ALA 9 H ALA 9 -8.779 -9.902 -3.352 50 HA ALA 9 HA ALA 9 -7.701 -7.199 -3.201 51 HB1 ALA 9 1HB ALA 9 -8.383 -8.252 -5.351 52 HB2 ALA 9 2HB ALA 9 -10.074 -8.284 -4.783 53 HB3 ALA 9 3HB ALA 9 -9.239 -6.737 -5.020 54 H LEU 10 H LEU 10 -8.159 -6.275 -1.281 55 HA LEU 10 HA LEU 10 -10.739 -6.524 0.048 56 HB2 LEU 10 1HB LEU 10 -8.244 -4.854 0.481 57 HB3 LEU 10 2HB LEU 10 -9.688 -4.538 1.412 58 HG LEU 10 HG LEU 10 -8.410 -7.297 1.376 59 HD11 LEU 10 1HD1 LEU 10 -6.750 -5.690 2.234 60 HD12 LEU 10 2HD1 LEU 10 -7.391 -6.679 3.544 61 HD13 LEU 10 3HD1 LEU 10 -7.954 -5.007 3.342 62 HD21 LEU 10 3HD2 LEU 10 -10.287 -5.900 3.356 63 HD22 LEU 10 1HD2 LEU 10 -9.693 -7.577 3.451 64 HD23 LEU 10 2HD2 LEU 10 -10.788 -7.096 2.153 65 H LYS 11 H LYS 11 -11.970 -4.590 0.469 66 HA LYS 11 HA LYS 11 -11.882 -2.663 -1.764 67 HB2 LYS 11 1HB LYS 11 -14.327 -2.661 -1.791 68 HB3 LYS 11 2HB LYS 11 -13.627 -4.221 -2.156 69 HG2 LYS 11 1HG LYS 11 -13.973 -4.596 0.484 70 HG3 LYS 11 2HG LYS 11 -15.197 -3.367 0.259 71 HD2 LYS 11 1HD LYS 11 -16.326 -5.435 0.056 72 HD3 LYS 11 2HD LYS 11 -16.174 -4.832 -1.600 73 HE2 LYS 11 1HE LYS 11 -14.176 -6.324 -1.920 74 HE3 LYS 11 2HE LYS 11 -14.380 -6.920 -0.260 75 HZ1 LYS 11 3HZ LYS 11 -15.356 -8.413 -1.929 76 HZ2 LYS 11 1HZ LYS 11 -16.395 -7.242 -2.404 77 HZ3 LYS 11 2HZ LYS 11 -16.477 -7.894 -0.890 78 H GLU 12 H GLU 12 -11.869 -3.143 1.680 79 HA GLU 12 HA GLU 12 -11.481 -0.404 2.235 80 HB2 GLU 12 1HB GLU 12 -13.431 -0.194 3.801 81 HB3 GLU 12 2HB GLU 12 -13.880 -0.271 2.101 82 HG2 GLU 12 1HG GLU 12 -14.213 -2.858 2.624 83 HG3 GLU 12 2HG GLU 12 -14.297 -2.307 4.296 84 H PHE 13 H PHE 13 -11.076 -0.242 4.674 85 HA PHE 13 HA PHE 13 -10.774 -2.521 6.316 86 HB2 PHE 13 1HB PHE 13 -8.430 -2.815 6.471 87 HB3 PHE 13 2HB PHE 13 -8.799 -3.001 4.797 88 HD1 PHE 13 1HD PHE 13 -8.539 -0.751 3.310 89 HD2 PHE 13 2HD PHE 13 -6.635 -1.478 7.109 90 HE1 PHE 13 1HE PHE 13 -6.780 0.910 2.756 91 HE2 PHE 13 2HE PHE 13 -4.845 0.113 6.509 92 HZ PHE 13 HZ PHE 13 -4.915 1.327 4.355 93 H THR 14 H THR 14 -9.075 -1.721 8.230 94 HA THR 14 HA THR 14 -9.273 1.197 8.583 95 HB THR 14 HB THR 14 -9.960 -0.822 10.745 96 HG1 THR 14 1HG THR 14 -12.086 -0.052 10.474 97 HG21 THR 14 3HG2 THR 14 -10.701 0.992 12.103 98 HG22 THR 14 1HG2 THR 14 -10.468 2.162 10.801 99 HG23 THR 14 2HG2 THR 14 -9.061 1.388 11.572 100 H ALA 15 H ALA 15 -7.325 2.036 9.380 101 HA ALA 15 HA ALA 15 -5.521 0.317 10.933 102 HB1 ALA 15 1HB ALA 15 -4.644 -0.137 8.752 103 HB2 ALA 15 2HB ALA 15 -4.635 1.600 8.355 104 HB3 ALA 15 3HB ALA 15 -3.530 0.961 9.595 105 H ASP 16 H ASP 16 -4.096 1.590 12.258 106 HA ASP 16 HA ASP 16 -3.799 3.262 13.752 107 HB2 ASP 16 1HB ASP 16 -3.041 4.149 11.195 108 HB3 ASP 16 2HB ASP 16 -3.791 5.528 11.924 109 H PHE 17 H PHE 17 -6.311 2.431 13.452 110 HA PHE 17 HA PHE 17 -8.453 2.703 14.055 111 HB2 PHE 17 1HB PHE 17 -7.877 5.442 15.185 112 HB3 PHE 17 2HB PHE 17 -9.068 4.273 15.721 113 HD1 PHE 17 2HD PHE 17 -8.216 2.092 16.863 114 HD2 PHE 17 1HD PHE 17 -5.720 5.526 16.125 115 HE1 PHE 17 2HE PHE 17 -6.582 1.256 18.519 116 HE2 PHE 17 1HE PHE 17 -4.093 4.709 17.798 117 HZ PHE 17 HZ PHE 17 -4.494 2.578 18.986 118 H THR 18 H THR 18 -7.555 3.878 11.426 119 HA THR 18 HA THR 18 -9.671 5.949 10.975 120 HB THR 18 HB THR 18 -7.116 5.486 9.416 121 HG1 THR 18 1HG THR 18 -6.798 6.075 11.734 122 HG21 THR 18 3HG2 THR 18 -7.374 7.782 8.677 123 HG22 THR 18 1HG2 THR 18 -8.822 7.982 9.690 124 HG23 THR 18 2HG2 THR 18 -8.846 6.867 8.302 125 H GLN 19 H GLN 19 -11.154 5.444 9.283 126 HA GLN 19 HA GLN 19 -10.966 2.712 8.177 127 HB2 GLN 19 1HB GLN 19 -13.135 3.715 9.126 128 HB3 GLN 19 2HB GLN 19 -13.135 4.807 7.747 129 HG2 GLN 19 1HG GLN 19 -14.010 3.218 6.426 130 HG3 GLN 19 2HG GLN 19 -12.745 2.067 6.805 131 HE21 GLN 19 1HE2 GLN 19 -13.076 0.446 8.386 132 HE22 GLN 19 2HE2 GLN 19 -14.721 -0.013 8.764 133 H PHE 20 H PHE 20 -11.073 2.366 5.866 134 HA PHE 20 HA PHE 20 -10.627 4.619 4.016 135 HB2 PHE 20 1HB PHE 20 -8.831 2.166 4.320 136 HB3 PHE 20 2HB PHE 20 -8.696 3.371 3.081 137 HD1 PHE 20 1HD PHE 20 -8.351 5.887 3.916 138 HD2 PHE 20 2HD PHE 20 -7.641 2.386 6.333 139 HE1 PHE 20 1HE PHE 20 -6.848 7.203 5.367 140 HE2 PHE 20 2HE PHE 20 -6.150 3.739 7.815 141 HZ PHE 20 HZ PHE 20 -5.730 6.145 7.300 142 H HIS 21 H HIS 21 -11.057 4.071 1.855 143 HA HIS 21 HA HIS 21 -12.146 1.396 1.279 144 HB2 HIS 21 1HB HIS 21 -13.519 3.841 0.197 145 HB3 HIS 21 2HB HIS 21 -14.120 2.212 0.399 146 HD1 HIS 21 1HD HIS 21 -13.731 5.494 2.337 147 HD2 HIS 21 2HD HIS 21 -15.136 1.529 2.844 148 HE1 HIS 21 1HE HIS 21 -14.886 5.386 4.644 149 H ILE 22 H ILE 22 -12.193 1.121 -1.201 150 HA ILE 22 HA ILE 22 -9.849 2.217 -2.484 151 HB ILE 22 HB ILE 22 -12.350 1.218 -3.908 152 HG12 ILE 22 1HG1 ILE 22 -11.786 -0.609 -2.569 153 HG13 ILE 22 2HG1 ILE 22 -11.205 -0.963 -4.173 154 HG21 ILE 22 1HG2 ILE 22 -10.846 2.422 -5.383 155 HG22 ILE 22 2HG2 ILE 22 -9.455 1.489 -4.798 156 HG23 ILE 22 3HG2 ILE 22 -10.739 0.702 -5.744 157 HD11 ILE 22 3HD1 ILE 22 -9.506 -0.105 -1.793 158 HD12 ILE 22 1HD1 ILE 22 -9.577 -1.713 -2.530 159 HD13 ILE 22 2HD1 ILE 22 -8.881 -0.362 -3.440 160 H GLY 23 H GLY 23 -9.549 4.244 -3.263 161 HA2 GLY 23 2HA GLY 23 -10.212 6.053 -4.590 162 HA3 GLY 23 1HA GLY 23 -11.883 5.872 -4.089 163 H ASP 24 H ASP 24 -10.714 5.587 -1.149 164 HA ASP 24 HA ASP 24 -11.009 8.366 -0.431 165 HB2 ASP 24 1HB ASP 24 -10.393 5.814 1.083 166 HB3 ASP 24 2HB ASP 24 -10.247 7.382 1.877 167 H THR 25 H THR 25 -9.021 9.142 1.357 168 HA THR 25 HA THR 25 -6.484 8.860 -0.137 169 HB THR 25 HB THR 25 -6.611 11.403 0.988 170 HG1 THR 25 1HG THR 25 -8.402 12.357 0.075 171 HG21 THR 25 3HG2 THR 25 -5.522 10.849 -1.184 172 HG22 THR 25 1HG2 THR 25 -6.605 12.221 -1.370 173 HG23 THR 25 2HG2 THR 25 -7.129 10.617 -1.924 174 H VAL 26 H VAL 26 -4.693 8.565 1.032 175 HA VAL 26 HA VAL 26 -4.968 7.653 3.772 176 HB VAL 26 HB VAL 26 -2.720 6.940 3.515 177 HG11 VAL 26 1HG1 VAL 26 -3.057 5.318 1.936 178 HG12 VAL 26 2HG1 VAL 26 -4.696 5.876 2.215 179 HG13 VAL 26 3HG1 VAL 26 -3.841 6.423 0.774 180 HG21 VAL 26 3HG2 VAL 26 -1.882 7.575 0.901 181 HG22 VAL 26 1HG2 VAL 26 -2.279 9.112 1.701 182 HG23 VAL 26 2HG2 VAL 26 -1.153 7.959 2.452 183 HA PRO 27 HA PRO 27 -3.418 11.181 5.939 184 HB2 PRO 27 1HB PRO 27 -1.947 10.168 7.963 185 HB3 PRO 27 2HB PRO 27 -3.679 9.963 7.857 186 HG2 PRO 27 1HG PRO 27 -1.648 8.049 6.899 187 HG3 PRO 27 2HG PRO 27 -3.022 7.706 8.028 188 HD2 PRO 27 1HD PRO 27 -3.267 7.182 5.428 189 HD3 PRO 27 2HD PRO 27 -4.608 7.974 6.265 190 H ALA 28 H ALA 28 -1.499 12.420 6.424 191 HA ALA 28 HA ALA 28 0.417 12.437 4.374 192 HB1 ALA 28 1HB ALA 28 -0.317 14.423 5.622 193 HB2 ALA 28 2HB ALA 28 0.440 13.781 7.101 194 HB3 ALA 28 3HB ALA 28 1.440 14.225 5.705 195 H MET 29 H MET 29 0.510 10.686 7.615 196 HA MET 29 HA MET 29 3.274 10.493 7.706 197 HB2 MET 29 1HB MET 29 2.596 8.733 9.322 198 HB3 MET 29 2HB MET 29 2.005 10.342 9.691 199 HG2 MET 29 1HG MET 29 -0.203 9.656 8.793 200 HG3 MET 29 2HG MET 29 0.405 8.010 8.545 201 HE1 MET 29 3HE MET 29 -2.292 8.785 10.220 202 HE2 MET 29 1HE MET 29 -1.720 7.113 9.975 203 HE3 MET 29 2HE MET 29 -2.101 7.693 11.606 204 H TYR 30 H TYR 30 0.640 8.650 5.968 205 HA TYR 30 HA TYR 30 2.672 6.501 5.560 206 HB2 TYR 30 1HB TYR 30 -0.214 6.685 4.655 207 HB3 TYR 30 2HB TYR 30 0.866 5.286 4.429 208 HD1 TYR 30 2HD TYR 30 2.330 5.091 7.032 209 HD2 TYR 30 1HD TYR 30 -1.789 6.031 6.202 210 HE1 TYR 30 2HE TYR 30 1.709 4.190 9.231 211 HE2 TYR 30 1HE TYR 30 -2.430 5.171 8.433 212 HH TYR 30 HH TYR 30 -0.347 4.337 10.926 213 H LEU 31 H LEU 31 2.129 9.396 3.967 214 HA LEU 31 HA LEU 31 2.872 8.456 1.296 215 HB2 LEU 31 1HB LEU 31 2.985 11.142 2.740 216 HB3 LEU 31 2HB LEU 31 3.680 10.919 1.151 217 HG LEU 31 HG LEU 31 1.494 11.944 1.063 218 HD11 LEU 31 1HD1 LEU 31 0.626 10.765 -0.773 219 HD12 LEU 31 2HD1 LEU 31 1.269 9.227 -0.187 220 HD13 LEU 31 3HD1 LEU 31 2.373 10.477 -0.807 221 HD21 LEU 31 3HD2 LEU 31 -0.572 10.822 1.466 222 HD22 LEU 31 1HD2 LEU 31 0.397 10.897 2.944 223 HD23 LEU 31 2HD2 LEU 31 0.314 9.383 2.033 224 H THR 32 H THR 32 4.498 8.932 4.303 225 HA THR 32 HA THR 32 7.019 9.642 3.231 226 HB THR 32 HB THR 32 7.910 9.423 5.461 227 HG1 THR 32 1HG THR 32 5.465 8.283 6.292 228 HG21 THR 32 3HG2 THR 32 5.050 10.350 5.800 229 HG22 THR 32 1HG2 THR 32 6.278 11.307 4.964 230 HG23 THR 32 2HG2 THR 32 6.479 10.884 6.680 231 HA PRO 33 HA PRO 33 8.787 5.859 1.674 232 HB2 PRO 33 1HB PRO 33 11.433 6.101 2.305 233 HB3 PRO 33 2HB PRO 33 10.619 7.133 1.099 234 HG2 PRO 33 1HG PRO 33 11.157 7.816 3.993 235 HG3 PRO 33 2HG PRO 33 11.558 8.775 2.532 236 HD2 PRO 33 1HD PRO 33 9.313 9.278 3.905 237 HD3 PRO 33 2HD PRO 33 9.269 9.272 2.121 238 H GLU 34 H GLU 34 8.838 6.611 5.090 239 HA GLU 34 HA GLU 34 10.151 4.419 6.273 240 HB2 GLU 34 1HB GLU 34 7.896 6.345 7.005 241 HB3 GLU 34 2HB GLU 34 8.227 4.998 8.106 242 HG2 GLU 34 1HG GLU 34 10.521 6.791 7.205 243 HG3 GLU 34 2HG GLU 34 9.386 7.369 8.394 244 H TYR 35 H TYR 35 6.963 4.644 4.779 245 HA TYR 35 HA TYR 35 6.159 1.980 5.850 246 HB2 TYR 35 1HB TYR 35 4.596 4.380 4.816 247 HB3 TYR 35 2HB TYR 35 3.875 2.883 5.393 248 HD1 TYR 35 2HD TYR 35 4.554 2.094 7.831 249 HD2 TYR 35 1HD TYR 35 5.171 6.122 6.389 250 HE1 TYR 35 2HE TYR 35 4.835 2.859 10.120 251 HE2 TYR 35 1HE TYR 35 5.397 6.895 8.684 252 HH TYR 35 HH TYR 35 6.226 5.954 10.822 253 H ASN 36 H ASN 36 7.377 3.365 3.128 254 HA ASN 36 HA ASN 36 5.765 2.081 1.039 255 HB2 ASN 36 1HB ASN 36 6.691 4.268 0.624 256 HB3 ASN 36 2HB ASN 36 8.308 3.729 1.066 257 HD21 ASN 36 1HD2 ASN 36 9.205 4.354 -1.012 258 HD22 ASN 36 2HD2 ASN 36 8.813 3.379 -2.393 259 H ILE 37 H ILE 37 5.994 0.046 0.418 260 HA ILE 37 HA ILE 37 8.533 -1.439 0.774 261 HB ILE 37 HB ILE 37 5.826 -2.399 -0.236 262 HG12 ILE 37 1HG1 ILE 37 7.000 -2.430 2.557 263 HG13 ILE 37 2HG1 ILE 37 5.426 -1.896 2.037 264 HG21 ILE 37 1HG2 ILE 37 6.766 -4.610 -0.088 265 HG22 ILE 37 2HG2 ILE 37 7.769 -3.645 -1.126 266 HG23 ILE 37 3HG2 ILE 37 8.310 -3.978 0.550 267 HD11 ILE 37 3HD1 ILE 37 4.757 -4.173 1.709 268 HD12 ILE 37 1HD1 ILE 37 6.392 -4.789 2.072 269 HD13 ILE 37 2HD1 ILE 37 5.466 -4.009 3.332 270 H LYS 38 H LYS 38 9.786 -0.268 -0.789 271 HA LYS 38 HA LYS 38 8.812 -0.060 -3.529 272 HB2 LYS 38 1HB LYS 38 11.027 0.501 -4.201 273 HB3 LYS 38 2HB LYS 38 10.539 1.467 -2.815 274 HG2 LYS 38 1HG LYS 38 11.995 0.316 -1.320 275 HG3 LYS 38 2HG LYS 38 12.206 -1.024 -2.449 276 HD2 LYS 38 1HD LYS 38 14.076 -0.132 -3.201 277 HD3 LYS 38 2HD LYS 38 13.137 1.147 -3.933 278 HE2 LYS 38 1HE LYS 38 15.016 2.005 -2.620 279 HE3 LYS 38 2HE LYS 38 13.476 2.604 -2.030 280 HZ1 LYS 38 3HZ LYS 38 15.003 1.930 -0.280 281 HZ2 LYS 38 1HZ LYS 38 14.964 0.366 -0.815 282 HZ3 LYS 38 2HZ LYS 38 13.618 1.101 -0.185 283 H GLN 39 H GLN 39 10.143 -2.687 -1.640 284 HA GLN 39 HA GLN 39 11.100 -4.237 -3.863 285 HB2 GLN 39 1HB GLN 39 10.443 -5.230 -1.069 286 HB3 GLN 39 2HB GLN 39 11.421 -6.030 -2.292 287 HG2 GLN 39 1HG GLN 39 13.107 -5.174 -1.102 288 HG3 GLN 39 2HG GLN 39 12.869 -3.779 -2.153 289 HE21 GLN 39 1HE2 GLN 39 12.192 -5.210 1.045 290 HE22 GLN 39 2HE2 GLN 39 11.816 -3.703 1.869 291 H TRP 40 H TRP 40 8.416 -3.485 -4.525 292 HA TRP 40 HA TRP 40 6.467 -5.309 -3.712 293 HB2 TRP 40 1HB TRP 40 5.231 -4.792 -5.708 294 HB3 TRP 40 2HB TRP 40 5.796 -3.338 -4.887 295 HD1 TRP 40 HD TRP 40 7.714 -1.876 -6.179 296 HE1 TRP 40 1HE TRP 40 8.186 -1.606 -8.677 297 HE3 TRP 40 3HE TRP 40 5.123 -5.924 -7.958 298 HZ2 TRP 40 2HZ TRP 40 7.577 -2.994 -11.133 299 HZ3 TRP 40 3HZ TRP 40 5.057 -6.408 -10.370 300 HH2 TRP 40 HH TRP 40 6.286 -4.953 -11.964 301 H GLN 41 H GLN 41 8.877 -5.773 -6.402 302 HA GLN 41 HA GLN 41 7.385 -7.809 -7.577 303 HB2 GLN 41 1HB GLN 41 10.357 -7.212 -7.655 304 HB3 GLN 41 2HB GLN 41 9.636 -8.532 -8.578 305 HG2 GLN 41 1HG GLN 41 7.986 -6.908 -9.545 306 HG3 GLN 41 2HG GLN 41 8.904 -5.592 -8.787 307 HE21 GLN 41 1HE2 GLN 41 8.366 -6.090 -11.666 308 HE22 GLN 41 2HE2 GLN 41 9.965 -6.182 -12.403 309 H GLN 42 H GLN 42 9.410 -8.248 -4.671 310 HA GLN 42 HA GLN 42 9.169 -11.187 -4.964 311 HB2 GLN 42 1HB GLN 42 10.511 -9.332 -2.978 312 HB3 GLN 42 2HB GLN 42 10.197 -11.022 -2.580 313 HG2 GLN 42 1HG GLN 42 11.331 -11.629 -4.688 314 HG3 GLN 42 2HG GLN 42 11.827 -9.957 -4.906 315 HE21 GLN 42 1HE2 GLN 42 13.245 -9.006 -3.122 316 HE22 GLN 42 2HE2 GLN 42 14.175 -10.124 -2.120 317 H ARG 43 H ARG 43 7.226 -8.657 -3.908 318 HA ARG 43 HA ARG 43 5.635 -10.318 -2.052 319 HB2 ARG 43 1HB ARG 43 5.236 -7.406 -2.914 320 HB3 ARG 43 2HB ARG 43 4.353 -8.250 -1.654 321 HG2 ARG 43 1HG ARG 43 7.379 -7.878 -1.411 322 HG3 ARG 43 2HG ARG 43 6.293 -6.577 -1.041 323 HD2 ARG 43 1HD ARG 43 5.144 -7.878 0.658 324 HD3 ARG 43 2HD ARG 43 6.042 -9.326 0.218 325 HE ARG 43 HE ARG 43 6.889 -7.156 1.912 326 HH11 ARG 43 1HH1 ARG 43 8.079 -9.817 -0.097 327 HH12 ARG 43 2HH1 ARG 43 9.653 -9.899 0.622 328 HH21 ARG 43 1HH2 ARG 43 8.910 -7.227 2.898 329 HH22 ARG 43 2HH2 ARG 43 10.107 -8.414 2.509 330 H ASN 44 H ASN 44 3.240 -10.075 -2.725 331 HA ASN 44 HA ASN 44 3.264 -11.377 -5.370 332 HB2 ASN 44 1HB ASN 44 1.527 -11.646 -2.919 333 HB3 ASN 44 2HB ASN 44 1.370 -12.649 -4.371 334 HD21 ASN 44 1HD2 ASN 44 2.478 -14.614 -4.220 335 HD22 ASN 44 2HD2 ASN 44 3.808 -14.941 -3.179 336 H LEU 45 H LEU 45 2.537 -8.446 -4.543 337 HA LEU 45 HA LEU 45 -0.110 -7.845 -5.384 338 HB2 LEU 45 1HB LEU 45 2.534 -6.405 -4.938 339 HB3 LEU 45 2HB LEU 45 1.200 -5.523 -5.521 340 HG LEU 45 HG LEU 45 0.964 -5.048 -3.336 341 HD11 LEU 45 1HD1 LEU 45 -1.107 -6.279 -3.900 342 HD12 LEU 45 2HD1 LEU 45 -0.709 -6.259 -2.167 343 HD13 LEU 45 3HD1 LEU 45 -0.421 -7.722 -3.122 344 HD21 LEU 45 3HD2 LEU 45 2.980 -6.306 -2.753 345 HD22 LEU 45 1HD2 LEU 45 1.983 -7.764 -2.493 346 HD23 LEU 45 2HD2 LEU 45 1.754 -6.321 -1.483 347 HA PRO 46 HA PRO 46 0.970 -6.899 -9.756 348 HB2 PRO 46 1HB PRO 46 -0.490 -4.529 -10.041 349 HB3 PRO 46 2HB PRO 46 -1.144 -6.162 -10.305 350 HG2 PRO 46 1HG PRO 46 -1.576 -4.298 -8.061 351 HG3 PRO 46 2HG PRO 46 -2.608 -5.641 -8.597 352 HD2 PRO 46 1HD PRO 46 -0.811 -5.608 -6.386 353 HD3 PRO 46 2HD PRO 46 -1.694 -7.014 -7.024 354 H ALA 47 H ALA 47 1.830 -4.892 -10.856 355 HA ALA 47 HA ALA 47 3.938 -3.522 -9.522 356 HB1 ALA 47 1HB ALA 47 2.319 -2.826 -12.016 357 HB2 ALA 47 2HB ALA 47 3.877 -2.101 -11.592 358 HB3 ALA 47 3HB ALA 47 3.790 -3.826 -11.978 359 HA PRO 48 HA PRO 48 1.652 0.127 -7.957 360 HB2 PRO 48 1HB PRO 48 3.376 2.177 -8.572 361 HB3 PRO 48 2HB PRO 48 3.626 1.072 -7.191 362 HG2 PRO 48 1HG PRO 48 4.861 0.919 -9.963 363 HG3 PRO 48 2HG PRO 48 5.680 0.780 -8.375 364 HD2 PRO 48 1HD PRO 48 4.965 -1.406 -9.821 365 HD3 PRO 48 2HD PRO 48 4.843 -1.404 -8.037 366 H ASP 49 H ASP 49 0.791 2.213 -8.963 367 HA ASP 49 HA ASP 49 0.346 2.017 -11.864 368 HB2 ASP 49 1HB ASP 49 -1.496 2.710 -10.161 369 HB3 ASP 49 2HB ASP 49 -0.636 4.229 -10.043 370 H ALA 50 H ALA 50 0.661 4.184 -12.981 371 HA ALA 50 HA ALA 50 3.249 5.277 -12.924 372 HB1 ALA 50 1HB ALA 50 2.077 7.127 -14.193 373 HB2 ALA 50 2HB ALA 50 1.707 5.493 -14.796 374 HB3 ALA 50 3HB ALA 50 0.533 6.345 -13.779 375 H GLY 51 H GLY 51 4.141 6.156 -11.042 376 HA2 GLY 51 2HA GLY 51 4.530 7.941 -9.620 377 HA3 GLY 51 1HA GLY 51 3.012 8.680 -10.149 378 H SER 52 H SER 52 3.145 5.347 -8.811 379 HA SER 52 HA SER 52 2.205 6.375 -6.190 380 HB2 SER 52 1HB SER 52 0.492 4.567 -6.180 381 HB3 SER 52 2HB SER 52 0.205 5.757 -7.467 382 HG SER 52 HG SER 52 1.457 4.242 -8.810 383 H HIS 53 H HIS 53 2.244 4.486 -4.541 384 HA HIS 53 HA HIS 53 4.067 2.338 -5.207 385 HB2 HIS 53 1HB HIS 53 5.597 2.734 -3.423 386 HB3 HIS 53 2HB HIS 53 5.742 3.967 -4.666 387 HD1 HIS 53 1HD HIS 53 5.432 6.518 -3.889 388 HD2 HIS 53 2HD HIS 53 4.587 3.583 -0.933 389 HE1 HIS 53 1HE HIS 53 5.162 7.736 -1.688 390 H TRP 54 H TRP 54 4.378 0.877 -3.304 391 HA TRP 54 HA TRP 54 1.678 0.500 -2.155 392 HB2 TRP 54 1HB TRP 54 3.894 -1.358 -3.046 393 HB3 TRP 54 2HB TRP 54 2.582 -1.901 -2.055 394 HD1 TRP 54 HD TRP 54 3.281 -1.007 -5.662 395 HE1 TRP 54 1HE TRP 54 1.347 -2.096 -7.046 396 HE3 TRP 54 3HE TRP 54 -0.015 -2.008 -1.906 397 HZ2 TRP 54 2HZ TRP 54 -1.394 -2.710 -6.648 398 HZ3 TRP 54 3HZ TRP 54 -2.342 -2.755 -2.437 399 HH2 TRP 54 HH TRP 54 -3.046 -3.049 -4.793 400 H THR 55 H THR 55 1.447 0.650 0.050 401 HA THR 55 HA THR 55 3.880 0.566 1.733 402 HB THR 55 HB THR 55 2.689 2.107 3.225 403 HG1 THR 55 1HG THR 55 0.749 3.044 2.400 404 HG21 THR 55 3HG2 THR 55 2.612 4.106 1.869 405 HG22 THR 55 1HG2 THR 55 2.697 3.137 0.382 406 HG23 THR 55 2HG2 THR 55 4.052 3.173 1.535 407 H TYR 56 H TYR 56 3.050 0.037 4.231 408 HA TYR 56 HA TYR 56 1.419 -2.471 4.031 409 HB2 TYR 56 1HB TYR 56 3.730 -2.949 3.919 410 HB3 TYR 56 2HB TYR 56 4.130 -1.934 5.295 411 HD1 TYR 56 2HD TYR 56 1.819 -4.787 4.476 412 HD2 TYR 56 1HD TYR 56 4.578 -3.075 7.297 413 HE1 TYR 56 2HE TYR 56 1.604 -6.802 5.873 414 HE2 TYR 56 1HE TYR 56 4.340 -5.092 8.744 415 HH TYR 56 HH TYR 56 2.419 -7.948 7.697 416 H MET 57 H MET 57 -0.420 -1.446 4.863 417 HA MET 57 HA MET 57 -0.211 0.054 7.415 418 HB2 MET 57 1HB MET 57 -2.203 0.012 5.113 419 HB3 MET 57 2HB MET 57 -2.597 0.663 6.710 420 HG2 MET 57 1HG MET 57 -0.603 2.154 6.576 421 HG3 MET 57 2HG MET 57 -0.330 1.605 4.915 422 HE1 MET 57 3HE MET 57 -2.788 2.860 7.458 423 HE2 MET 57 1HE MET 57 -3.718 4.147 6.696 424 HE3 MET 57 2HE MET 57 -4.162 2.463 6.392 425 H GLY 58 H GLY 58 -0.436 -1.319 9.108 426 HA2 GLY 58 2HA GLY 58 -1.570 -2.640 10.618 427 HA3 GLY 58 1HA GLY 58 -3.031 -2.300 9.694 428 H GLY 59 H GLY 59 -0.467 -3.857 7.925 429 HA2 GLY 59 2HA GLY 59 -0.171 -6.157 7.466 430 HA3 GLY 59 1HA GLY 59 -1.668 -6.532 8.320 431 H ASN 60 H ASN 60 -2.156 -3.811 6.270 432 HA ASN 60 HA ASN 60 -3.183 -5.500 4.039 433 HB2 ASN 60 1HB ASN 60 -3.939 -2.635 4.754 434 HB3 ASN 60 2HB ASN 60 -4.648 -3.656 3.509 435 HD21 ASN 60 1HD2 ASN 60 -4.541 -2.979 6.962 436 HD22 ASN 60 2HD2 ASN 60 -5.840 -4.107 7.399 437 H TYR 61 H TYR 61 -2.134 -5.163 2.061 438 HA TYR 61 HA TYR 61 0.088 -3.190 2.014 439 HB2 TYR 61 1HB TYR 61 -0.667 -5.309 -0.012 440 HB3 TYR 61 2HB TYR 61 0.670 -4.186 -0.167 441 HD1 TYR 61 2HD TYR 61 2.542 -4.282 1.924 442 HD2 TYR 61 1HD TYR 61 -0.241 -7.441 0.776 443 HE1 TYR 61 2HE TYR 61 4.005 -5.964 2.888 444 HE2 TYR 61 1HE TYR 61 1.322 -9.112 1.716 445 HH TYR 61 HH TYR 61 3.268 -9.245 3.421 446 H VAL 62 H VAL 62 -0.442 -1.151 1.119 447 HA VAL 62 HA VAL 62 -2.871 -1.076 -0.616 448 HB VAL 62 HB VAL 62 -3.695 0.832 0.505 449 HG11 VAL 62 1HG1 VAL 62 -2.982 -1.099 2.742 450 HG12 VAL 62 2HG1 VAL 62 -4.477 -0.198 2.467 451 HG13 VAL 62 3HG1 VAL 62 -4.059 -1.556 1.416 452 HG21 VAL 62 3HG2 VAL 62 -2.763 1.744 2.581 453 HG22 VAL 62 1HG2 VAL 62 -1.348 0.673 2.454 454 HG23 VAL 62 2HG2 VAL 62 -1.623 1.951 1.250 455 H LEU 63 H LEU 63 -2.955 0.495 -2.172 456 HA LEU 63 HA LEU 63 -0.244 1.422 -3.030 457 HB2 LEU 63 1HB LEU 63 -1.412 -0.155 -4.526 458 HB3 LEU 63 2HB LEU 63 -2.786 0.931 -4.623 459 HG LEU 63 HG LEU 63 -1.415 2.605 -5.769 460 HD11 LEU 63 1HD1 LEU 63 0.931 1.778 -6.611 461 HD12 LEU 63 2HD1 LEU 63 0.900 0.821 -5.115 462 HD13 LEU 63 3HD1 LEU 63 0.751 2.569 -5.065 463 HD21 LEU 63 3HD2 LEU 63 -2.583 0.710 -6.990 464 HD22 LEU 63 1HD2 LEU 63 -1.010 -0.080 -7.117 465 HD23 LEU 63 2HD2 LEU 63 -1.281 1.542 -7.848 466 H ILE 64 H ILE 64 0.155 3.538 -3.006 467 HA ILE 64 HA ILE 64 -2.089 5.480 -2.811 468 HB ILE 64 HB ILE 64 -0.705 6.630 -1.135 469 HG12 ILE 64 1HG1 ILE 64 0.987 4.161 -0.715 470 HG13 ILE 64 2HG1 ILE 64 1.541 5.400 -1.826 471 HG21 ILE 64 1HG2 ILE 64 -1.322 3.749 -0.352 472 HG22 ILE 64 2HG2 ILE 64 -1.240 5.150 0.718 473 HG23 ILE 64 3HG2 ILE 64 -2.521 5.048 -0.518 474 HD11 ILE 64 3HD1 ILE 64 2.482 5.801 0.364 475 HD12 ILE 64 1HD1 ILE 64 1.423 7.116 -0.132 476 HD13 ILE 64 2HD1 ILE 64 0.860 5.938 1.076 477 H THR 65 H THR 65 -1.899 7.214 -4.255 478 HA THR 65 HA THR 65 0.289 7.479 -6.005 479 HB THR 65 HB THR 65 -0.730 10.086 -5.648 480 HG1 THR 65 1HG THR 65 -3.000 9.558 -5.863 481 HG21 THR 65 3HG2 THR 65 -1.996 9.543 -7.723 482 HG22 THR 65 1HG2 THR 65 -1.551 7.840 -7.531 483 HG23 THR 65 2HG2 THR 65 -0.290 9.079 -7.785 484 H ASP 66 H ASP 66 2.249 8.576 -5.935 485 HA ASP 66 HA ASP 66 3.390 9.147 -3.352 486 HB2 ASP 66 1HB ASP 66 4.319 8.684 -5.949 487 HB3 ASP 66 2HB ASP 66 4.681 10.385 -5.715 488 H THR 67 H THR 67 1.269 10.925 -5.377 489 HA THR 67 HA THR 67 2.401 13.547 -4.788 490 HB THR 67 HB THR 67 1.424 14.169 -6.808 491 HG1 THR 67 1HG THR 67 -0.567 13.514 -6.870 492 HG21 THR 67 3HG2 THR 67 2.022 11.216 -7.359 493 HG22 THR 67 1HG2 THR 67 3.281 12.467 -7.141 494 HG23 THR 67 2HG2 THR 67 2.124 12.564 -8.483 495 H GLU 68 H GLU 68 0.083 11.640 -3.386 496 HA GLU 68 HA GLU 68 -1.794 13.706 -2.485 497 HB2 GLU 68 1HB GLU 68 -2.365 13.383 -4.945 498 HB3 GLU 68 2HB GLU 68 -2.555 11.665 -4.644 499 HG2 GLU 68 1HG GLU 68 -4.698 12.378 -4.679 500 HG3 GLU 68 2HG GLU 68 -4.420 12.414 -2.949 501 H GLY 69 H GLY 69 -0.954 10.282 -3.078 502 HA2 GLY 69 2HA GLY 69 -1.381 8.371 -2.103 503 HA3 GLY 69 1HA GLY 69 -1.551 9.195 -0.598 504 H LYS 70 H LYS 70 -3.417 9.374 -3.584 505 HA LYS 70 HA LYS 70 -5.995 8.827 -2.275 506 HB2 LYS 70 1HB LYS 70 -5.675 10.351 -4.252 507 HB3 LYS 70 2HB LYS 70 -5.251 8.962 -5.240 508 HG2 LYS 70 1HG LYS 70 -7.903 9.203 -3.717 509 HG3 LYS 70 2HG LYS 70 -7.635 9.937 -5.294 510 HD2 LYS 70 1HD LYS 70 -6.842 7.585 -6.050 511 HD3 LYS 70 2HD LYS 70 -7.685 7.013 -4.573 512 HE2 LYS 70 1HE LYS 70 -9.759 7.961 -5.344 513 HE3 LYS 70 2HE LYS 70 -8.954 8.833 -6.651 514 HZ1 LYS 70 3HZ LYS 70 -9.000 5.870 -6.614 515 HZ2 LYS 70 1HZ LYS 70 -8.583 6.889 -7.844 516 HZ3 LYS 70 2HZ LYS 70 -10.133 6.809 -7.339 517 H ILE 71 H ILE 71 -6.835 6.827 -2.078 518 HA ILE 71 HA ILE 71 -4.992 4.616 -2.127 519 HB ILE 71 HB ILE 71 -7.933 4.894 -1.364 520 HG12 ILE 71 1HG1 ILE 71 -5.491 4.599 0.426 521 HG13 ILE 71 2HG1 ILE 71 -6.068 6.189 -0.071 522 HG21 ILE 71 1HG2 ILE 71 -6.027 2.568 -0.772 523 HG22 ILE 71 2HG2 ILE 71 -7.688 2.742 -0.160 524 HG23 ILE 71 3HG2 ILE 71 -7.424 2.510 -1.879 525 HD11 ILE 71 3HD1 ILE 71 -8.255 5.750 0.898 526 HD12 ILE 71 1HD1 ILE 71 -7.685 4.188 1.481 527 HD13 ILE 71 2HD1 ILE 71 -6.961 5.705 2.093 528 H LEU 72 H LEU 72 -4.491 4.212 -4.240 529 HA LEU 72 HA LEU 72 -6.402 3.935 -6.332 530 HB2 LEU 72 1HB LEU 72 -3.653 2.668 -6.146 531 HB3 LEU 72 2HB LEU 72 -4.618 2.885 -7.589 532 HG LEU 72 HG LEU 72 -3.043 4.600 -7.724 533 HD11 LEU 72 1HD1 LEU 72 -5.217 6.099 -6.278 534 HD12 LEU 72 2HD1 LEU 72 -5.414 5.492 -7.946 535 HD13 LEU 72 3HD1 LEU 72 -4.163 6.694 -7.572 536 HD21 LEU 72 3HD2 LEU 72 -2.990 4.826 -4.862 537 HD22 LEU 72 1HD2 LEU 72 -2.542 6.172 -5.934 538 HD23 LEU 72 2HD2 LEU 72 -1.739 4.607 -6.087 539 H LYS 73 H LYS 73 -4.739 1.545 -4.238 540 HA LYS 73 HA LYS 73 -7.001 -0.335 -4.530 541 HB2 LYS 73 1HB LYS 73 -4.151 -1.015 -5.358 542 HB3 LYS 73 2HB LYS 73 -5.425 -2.210 -5.100 543 HG2 LYS 73 1HG LYS 73 -6.772 -1.160 -6.922 544 HG3 LYS 73 2HG LYS 73 -5.493 0.015 -7.174 545 HD2 LYS 73 1HD LYS 73 -5.205 -1.665 -8.834 546 HD3 LYS 73 2HD LYS 73 -3.894 -1.795 -7.674 547 HE2 LYS 73 1HE LYS 73 -4.577 -3.980 -8.222 548 HE3 LYS 73 2HE LYS 73 -5.098 -3.675 -6.560 549 HZ1 LYS 73 3HZ LYS 73 -7.371 -3.345 -7.388 550 HZ2 LYS 73 1HZ LYS 73 -6.817 -4.790 -7.962 551 HZ3 LYS 73 2HZ LYS 73 -6.840 -3.523 -8.954 552 H VAL 74 H VAL 74 -6.666 -2.348 -3.072 553 HA VAL 74 HA VAL 74 -4.839 -2.066 -0.811 554 HB VAL 74 HB VAL 74 -7.875 -2.378 -0.635 555 HG11 VAL 74 1HG1 VAL 74 -6.113 -2.040 1.810 556 HG12 VAL 74 2HG1 VAL 74 -7.769 -2.608 1.688 557 HG13 VAL 74 3HG1 VAL 74 -6.443 -3.638 1.151 558 HG21 VAL 74 3HG2 VAL 74 -7.330 -0.004 -0.969 559 HG22 VAL 74 1HG2 VAL 74 -7.878 -0.274 0.677 560 HG23 VAL 74 2HG2 VAL 74 -6.145 -0.065 0.343 561 H TYR 75 H TYR 75 -4.158 -4.198 -0.240 562 HA TYR 75 HA TYR 75 -5.814 -6.515 -1.049 563 HB2 TYR 75 1HB TYR 75 -2.853 -6.110 -1.519 564 HB3 TYR 75 2HB TYR 75 -3.526 -7.714 -1.385 565 HD1 TYR 75 1HD TYR 75 -5.336 -8.473 -3.048 566 HD2 TYR 75 2HD TYR 75 -2.990 -4.940 -3.534 567 HE1 TYR 75 1HE TYR 75 -5.946 -8.447 -5.417 568 HE2 TYR 75 2HE TYR 75 -3.511 -4.910 -5.974 569 HH TYR 75 HH TYR 75 -5.534 -7.363 -7.561 570 H ASP 76 H ASP 76 -5.573 -8.277 0.581 571 HA ASP 76 HA ASP 76 -4.703 -7.341 3.211 572 HB2 ASP 76 1HB ASP 76 -6.602 -9.018 2.666 573 HB3 ASP 76 2HB ASP 76 -5.311 -10.223 2.502 574 H GLY 77 H GLY 77 -2.950 -8.385 4.413 575 HA2 GLY 77 2HA GLY 77 -0.447 -8.744 3.014 576 HA3 GLY 77 1HA GLY 77 -0.760 -8.967 4.751 577 H GLU 78 H GLU 78 -3.031 -10.923 3.932 578 HA GLU 78 HA GLU 78 -1.658 -13.354 4.101 579 HB2 GLU 78 1HB GLU 78 -4.331 -12.749 2.751 580 HB3 GLU 78 2HB GLU 78 -3.752 -14.357 3.233 581 HG2 GLU 78 1HG GLU 78 -3.499 -12.765 5.571 582 HG3 GLU 78 2HG GLU 78 -5.001 -12.234 4.839 583 H ILE 79 H ILE 79 -2.191 -11.314 1.254 584 HA ILE 79 HA ILE 79 -1.823 -13.265 -0.738 585 HB ILE 79 HB ILE 79 -2.680 -10.881 -0.918 586 HG12 ILE 79 1HG1 ILE 79 -0.589 -11.679 -2.943 587 HG13 ILE 79 2HG1 ILE 79 -2.144 -12.443 -2.826 588 HG21 ILE 79 1HG2 ILE 79 -0.592 -9.875 0.243 589 HG22 ILE 79 2HG2 ILE 79 0.235 -10.067 -1.313 590 HG23 ILE 79 3HG2 ILE 79 -1.208 -9.033 -1.173 591 HD11 ILE 79 3HD1 ILE 79 -3.290 -10.453 -3.462 592 HD12 ILE 79 1HD1 ILE 79 -1.823 -9.454 -3.309 593 HD13 ILE 79 2HD1 ILE 79 -1.914 -10.674 -4.577 594 H PHE 80 H PHE 80 0.538 -11.928 1.527 595 HA PHE 80 HA PHE 80 2.808 -12.277 -0.190 596 HB2 PHE 80 1HB PHE 80 2.772 -10.797 1.826 597 HB3 PHE 80 2HB PHE 80 2.718 -12.236 2.839 598 HD1 PHE 80 2HD PHE 80 4.796 -11.528 -0.257 599 HD2 PHE 80 1HD PHE 80 4.794 -12.402 3.965 600 HE1 PHE 80 2HE PHE 80 7.224 -11.906 -0.336 601 HE2 PHE 80 1HE PHE 80 7.252 -12.667 3.886 602 HZ PHE 80 HZ PHE 80 8.479 -12.426 1.749 603 H TYR 81 H TYR 81 0.809 -14.576 1.375 604 HA TYR 81 HA TYR 81 2.933 -16.625 1.331 605 HB2 TYR 81 1HB TYR 81 0.169 -16.849 2.497 606 HB3 TYR 81 2HB TYR 81 1.565 -17.903 2.780 607 HD1 TYR 81 1HD TYR 81 3.719 -16.746 3.766 608 HD2 TYR 81 2HD TYR 81 -0.181 -14.928 3.889 609 HE1 TYR 81 1HE TYR 81 4.599 -14.950 5.231 610 HE2 TYR 81 2HE TYR 81 0.705 -13.103 5.298 611 HH TYR 81 HH TYR 81 3.858 -13.134 6.787 612 H HIS 82 H HIS 82 0.808 -15.319 -0.840 613 HA HIS 82 HA HIS 82 -0.307 -17.680 -2.073 614 HB2 HIS 82 1HB HIS 82 -1.468 -15.450 -1.970 615 HB3 HIS 82 2HB HIS 82 -0.250 -14.793 -3.056 616 HD1 HIS 82 1HD HIS 82 -3.153 -17.295 -3.075 617 HD2 HIS 82 2HD HIS 82 -0.553 -15.215 -5.641 618 HE1 HIS 82 1HE HIS 82 -3.958 -17.772 -5.463 619 H ARG 83 H ARG 83 1.980 -18.471 -2.080 620 HA ARG 83 HA ARG 83 3.426 -19.588 -3.308 621 HB2 ARG 83 1HB ARG 83 2.612 -20.318 -5.500 622 HB3 ARG 83 2HB ARG 83 1.268 -20.177 -4.355 623 HG2 ARG 83 1HG ARG 83 0.359 -18.329 -5.444 624 HG3 ARG 83 2HG ARG 83 1.913 -17.870 -6.198 625 HD2 ARG 83 1HD ARG 83 1.720 -19.675 -7.797 626 HD3 ARG 83 2HD ARG 83 0.294 -20.292 -6.973 627 HE ARG 83 HE ARG 83 -1.002 -18.747 -7.911 628 HH11 ARG 83 1HH1 ARG 83 2.382 -17.605 -8.378 629 HH12 ARG 83 2HH1 ARG 83 1.913 -16.116 -9.095 630 HH21 ARG 83 1HH2 ARG 83 -1.568 -16.701 -8.963 631 HH22 ARG 83 2HH2 ARG 83 -0.312 -15.652 -9.486 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.708 -26.247 -8.597 2 HA2 GLY 1 2HA GLY 1 -10.900 -24.253 -8.609 3 HA3 GLY 1 1HA GLY 1 -10.015 -24.826 -7.178 4 H ALA 2 H ALA 2 -10.318 -22.060 -8.248 5 HA ALA 2 HA ALA 2 -7.701 -21.433 -9.497 6 HB1 ALA 2 1HB ALA 2 -10.243 -19.794 -9.066 7 HB2 ALA 2 2HB ALA 2 -8.785 -19.229 -9.894 8 HB3 ALA 2 3HB ALA 2 -9.732 -20.550 -10.602 9 H ALA 3 H ALA 3 -6.385 -19.812 -8.622 10 HA ALA 3 HA ALA 3 -7.221 -18.329 -6.298 11 HB1 ALA 3 1HB ALA 3 -6.315 -20.300 -5.142 12 HB2 ALA 3 2HB ALA 3 -4.787 -20.144 -6.038 13 HB3 ALA 3 3HB ALA 3 -5.281 -18.900 -4.875 14 H GLY 4 H GLY 4 -7.050 -16.633 -7.868 15 HA2 GLY 4 2HA GLY 4 -4.237 -15.672 -8.100 16 HA3 GLY 4 1HA GLY 4 -5.640 -14.968 -8.937 17 H ILE 5 H ILE 5 -4.587 -13.206 -7.826 18 HA ILE 5 HA ILE 5 -4.567 -12.904 -5.019 19 HB ILE 5 HB ILE 5 -4.035 -10.564 -5.530 20 HG12 ILE 5 1HG1 ILE 5 -4.657 -11.108 -8.442 21 HG13 ILE 5 2HG1 ILE 5 -5.618 -10.113 -7.345 22 HG21 ILE 5 1HG2 ILE 5 -2.643 -12.404 -7.542 23 HG22 ILE 5 2HG2 ILE 5 -1.946 -10.996 -6.752 24 HG23 ILE 5 3HG2 ILE 5 -2.332 -12.425 -5.800 25 HD11 ILE 5 3HD1 ILE 5 -2.796 -9.537 -8.315 26 HD12 ILE 5 1HD1 ILE 5 -4.264 -8.616 -8.614 27 HD13 ILE 5 2HD1 ILE 5 -3.557 -8.651 -6.988 28 H ASP 6 H ASP 6 -7.272 -12.806 -7.024 29 HA ASP 6 HA ASP 6 -8.636 -10.510 -6.252 30 HB2 ASP 6 1HB ASP 6 -9.028 -12.140 -8.142 31 HB3 ASP 6 2HB ASP 6 -9.918 -13.153 -7.006 32 H GLN 7 H GLN 7 -8.547 -13.660 -4.663 33 HA GLN 7 HA GLN 7 -10.549 -13.393 -2.732 34 HB2 GLN 7 1HB GLN 7 -9.325 -15.113 -1.538 35 HB3 GLN 7 2HB GLN 7 -9.195 -15.411 -3.271 36 HG2 GLN 7 1HG GLN 7 -6.910 -14.191 -3.165 37 HG3 GLN 7 2HG GLN 7 -7.063 -14.318 -1.414 38 HE21 GLN 7 1HE2 GLN 7 -5.994 -15.910 -4.244 39 HE22 GLN 7 2HE2 GLN 7 -5.924 -17.547 -3.573 40 H TYR 8 H TYR 8 -7.400 -11.788 -2.837 41 HA TYR 8 HA TYR 8 -7.689 -10.830 -0.035 42 HB2 TYR 8 1HB TYR 8 -5.377 -10.472 -1.964 43 HB3 TYR 8 2HB TYR 8 -5.380 -10.126 -0.243 44 HD1 TYR 8 2HD TYR 8 -5.927 -12.252 1.318 45 HD2 TYR 8 1HD TYR 8 -4.479 -12.439 -2.742 46 HE1 TYR 8 2HE TYR 8 -5.135 -14.551 1.725 47 HE2 TYR 8 1HE TYR 8 -3.713 -14.745 -2.354 48 HH TYR 8 HH TYR 8 -4.279 -16.504 0.692 49 H ALA 9 H ALA 9 -8.848 -9.878 -3.050 50 HA ALA 9 HA ALA 9 -8.011 -7.102 -3.084 51 HB1 ALA 9 1HB ALA 9 -10.420 -8.414 -4.426 52 HB2 ALA 9 2HB ALA 9 -9.697 -6.835 -4.805 53 HB3 ALA 9 3HB ALA 9 -8.787 -8.330 -5.128 54 H LEU 10 H LEU 10 -8.420 -6.084 -1.223 55 HA LEU 10 HA LEU 10 -10.983 -6.381 0.207 56 HB2 LEU 10 1HB LEU 10 -8.452 -4.756 0.636 57 HB3 LEU 10 2HB LEU 10 -9.865 -4.626 1.676 58 HG LEU 10 HG LEU 10 -8.202 -7.152 1.281 59 HD11 LEU 10 1HD1 LEU 10 -7.489 -6.710 3.619 60 HD12 LEU 10 2HD1 LEU 10 -8.353 -5.148 3.570 61 HD13 LEU 10 3HD1 LEU 10 -6.969 -5.452 2.502 62 HD21 LEU 10 3HD2 LEU 10 -10.523 -6.575 3.168 63 HD22 LEU 10 1HD2 LEU 10 -9.471 -8.003 3.245 64 HD23 LEU 10 2HD2 LEU 10 -10.502 -7.770 1.841 65 H LYS 11 H LYS 11 -12.537 -4.765 0.205 66 HA LYS 11 HA LYS 11 -12.232 -2.601 -1.810 67 HB2 LYS 11 1HB LYS 11 -14.588 -2.031 -1.239 68 HB3 LYS 11 2HB LYS 11 -14.385 -3.630 -1.972 69 HG2 LYS 11 1HG LYS 11 -14.687 -4.735 0.095 70 HG3 LYS 11 2HG LYS 11 -14.420 -3.254 1.013 71 HD2 LYS 11 1HD LYS 11 -16.553 -2.366 0.423 72 HD3 LYS 11 2HD LYS 11 -16.838 -3.621 -0.782 73 HE2 LYS 11 1HE LYS 11 -16.549 -4.158 2.197 74 HE3 LYS 11 2HE LYS 11 -18.080 -3.920 1.381 75 HZ1 LYS 11 3HZ LYS 11 -17.685 -6.182 1.607 76 HZ2 LYS 11 1HZ LYS 11 -16.201 -6.156 0.913 77 HZ3 LYS 11 2HZ LYS 11 -17.554 -5.871 -0.003 78 H GLU 12 H GLU 12 -11.844 -3.205 1.585 79 HA GLU 12 HA GLU 12 -11.445 -0.419 2.219 80 HB2 GLU 12 1HB GLU 12 -13.184 -0.405 3.946 81 HB3 GLU 12 2HB GLU 12 -13.890 -0.723 2.375 82 HG2 GLU 12 1HG GLU 12 -13.636 -3.277 3.128 83 HG3 GLU 12 2HG GLU 12 -13.465 -2.591 4.735 84 H PHE 13 H PHE 13 -10.763 -0.258 4.531 85 HA PHE 13 HA PHE 13 -10.102 -2.628 5.980 86 HB2 PHE 13 1HB PHE 13 -7.693 -2.401 6.075 87 HB3 PHE 13 2HB PHE 13 -8.179 -2.684 4.427 88 HD1 PHE 13 2HD PHE 13 -8.297 -0.654 2.815 89 HD2 PHE 13 1HD PHE 13 -6.360 -0.498 6.660 90 HE1 PHE 13 2HE PHE 13 -7.019 1.346 2.090 91 HE2 PHE 13 1HE PHE 13 -5.136 1.536 5.949 92 HZ PHE 13 HZ PHE 13 -5.439 2.452 3.664 93 H THR 14 H THR 14 -8.661 -1.827 7.968 94 HA THR 14 HA THR 14 -9.248 0.991 8.615 95 HB THR 14 HB THR 14 -9.299 -1.112 10.777 96 HG1 THR 14 1HG THR 14 -11.642 -0.935 10.620 97 HG21 THR 14 3HG2 THR 14 -10.561 0.537 12.017 98 HG22 THR 14 1HG2 THR 14 -10.730 1.560 10.585 99 HG23 THR 14 2HG2 THR 14 -9.124 1.341 11.354 100 H ALA 15 H ALA 15 -7.427 2.024 9.346 101 HA ALA 15 HA ALA 15 -5.285 0.531 10.638 102 HB1 ALA 15 1HB ALA 15 -4.502 0.574 8.281 103 HB2 ALA 15 2HB ALA 15 -4.712 2.344 8.253 104 HB3 ALA 15 3HB ALA 15 -3.506 1.610 9.329 105 H ASP 16 H ASP 16 -4.108 2.106 12.063 106 HA ASP 16 HA ASP 16 -4.099 3.908 13.445 107 HB2 ASP 16 1HB ASP 16 -4.092 4.839 10.710 108 HB3 ASP 16 2HB ASP 16 -5.043 5.992 11.591 109 H PHE 17 H PHE 17 -6.574 2.434 13.296 110 HA PHE 17 HA PHE 17 -8.716 2.411 14.007 111 HB2 PHE 17 1HB PHE 17 -8.404 5.087 15.369 112 HB3 PHE 17 2HB PHE 17 -9.388 3.722 15.859 113 HD1 PHE 17 2HD PHE 17 -8.202 1.618 16.774 114 HD2 PHE 17 1HD PHE 17 -6.181 5.381 16.161 115 HE1 PHE 17 2HE PHE 17 -6.354 0.856 18.221 116 HE2 PHE 17 1HE PHE 17 -4.326 4.621 17.595 117 HZ PHE 17 HZ PHE 17 -4.378 2.370 18.615 118 H THR 18 H THR 18 -7.915 3.962 11.548 119 HA THR 18 HA THR 18 -10.253 5.745 11.111 120 HB THR 18 HB THR 18 -7.498 5.667 9.790 121 HG1 THR 18 1HG THR 18 -7.514 6.353 12.016 122 HG21 THR 18 3HG2 THR 18 -9.315 6.629 8.368 123 HG22 THR 18 1HG2 THR 18 -8.067 7.792 8.811 124 HG23 THR 18 2HG2 THR 18 -9.639 7.822 9.647 125 H GLN 19 H GLN 19 -11.507 5.194 9.252 126 HA GLN 19 HA GLN 19 -10.891 2.505 8.146 127 HB2 GLN 19 1HB GLN 19 -13.036 2.938 9.424 128 HB3 GLN 19 2HB GLN 19 -13.533 4.015 8.098 129 HG2 GLN 19 1HG GLN 19 -13.507 2.192 6.520 130 HG3 GLN 19 2HG GLN 19 -12.607 1.144 7.632 131 HE21 GLN 19 1HE2 GLN 19 -13.838 -0.399 8.415 132 HE22 GLN 19 2HE2 GLN 19 -15.560 -0.307 8.418 133 H PHE 20 H PHE 20 -11.258 2.180 5.874 134 HA PHE 20 HA PHE 20 -10.852 4.579 4.154 135 HB2 PHE 20 1HB PHE 20 -8.890 2.275 4.550 136 HB3 PHE 20 2HB PHE 20 -8.779 3.477 3.292 137 HD1 PHE 20 2HD PHE 20 -8.683 6.015 4.077 138 HD2 PHE 20 1HD PHE 20 -7.798 2.642 6.605 139 HE1 PHE 20 2HE PHE 20 -7.347 7.480 5.531 140 HE2 PHE 20 1HE PHE 20 -6.422 4.124 8.073 141 HZ PHE 20 HZ PHE 20 -6.154 6.535 7.506 142 H HIS 21 H HIS 21 -11.029 4.086 1.877 143 HA HIS 21 HA HIS 21 -12.075 1.403 1.190 144 HB2 HIS 21 1HB HIS 21 -13.524 3.945 0.413 145 HB3 HIS 21 2HB HIS 21 -14.078 2.283 0.260 146 HD1 HIS 21 1HD HIS 21 -13.632 5.052 2.874 147 HD2 HIS 21 2HD HIS 21 -15.296 1.199 2.410 148 HE1 HIS 21 1HE HIS 21 -14.954 4.566 5.019 149 H ILE 22 H ILE 22 -12.317 1.269 -1.284 150 HA ILE 22 HA ILE 22 -10.045 2.383 -2.648 151 HB ILE 22 HB ILE 22 -12.549 1.298 -3.997 152 HG12 ILE 22 1HG1 ILE 22 -11.902 -0.410 -2.538 153 HG13 ILE 22 2HG1 ILE 22 -11.374 -0.859 -4.150 154 HG21 ILE 22 1HG2 ILE 22 -11.044 2.507 -5.505 155 HG22 ILE 22 2HG2 ILE 22 -9.654 1.586 -4.917 156 HG23 ILE 22 3HG2 ILE 22 -10.940 0.778 -5.830 157 HD11 ILE 22 3HD1 ILE 22 -9.675 -1.500 -2.560 158 HD12 ILE 22 1HD1 ILE 22 -9.031 -0.151 -3.512 159 HD13 ILE 22 2HD1 ILE 22 -9.636 0.119 -1.854 160 H GLY 23 H GLY 23 -10.056 4.515 -2.323 161 HA2 GLY 23 2HA GLY 23 -10.584 6.421 -4.027 162 HA3 GLY 23 1HA GLY 23 -12.237 6.195 -3.505 163 H ASP 24 H ASP 24 -10.819 5.608 -0.661 164 HA ASP 24 HA ASP 24 -10.968 8.369 0.321 165 HB2 ASP 24 1HB ASP 24 -10.340 5.665 1.473 166 HB3 ASP 24 2HB ASP 24 -9.636 7.049 2.275 167 H THR 25 H THR 25 -8.798 9.106 1.588 168 HA THR 25 HA THR 25 -6.436 8.640 -0.104 169 HB THR 25 HB THR 25 -6.867 11.345 0.962 170 HG1 THR 25 1HG THR 25 -8.976 10.942 -0.045 171 HG21 THR 25 3HG2 THR 25 -6.167 10.599 -1.863 172 HG22 THR 25 1HG2 THR 25 -4.995 10.603 -0.507 173 HG23 THR 25 2HG2 THR 25 -5.805 12.097 -1.006 174 H VAL 26 H VAL 26 -4.560 8.764 1.065 175 HA VAL 26 HA VAL 26 -4.997 7.938 3.880 176 HB VAL 26 HB VAL 26 -2.829 7.034 3.897 177 HG11 VAL 26 1HG1 VAL 26 -4.074 6.400 1.207 178 HG12 VAL 26 2HG1 VAL 26 -3.096 5.333 2.217 179 HG13 VAL 26 3HG1 VAL 26 -4.689 5.828 2.768 180 HG21 VAL 26 3HG2 VAL 26 -1.570 8.775 2.656 181 HG22 VAL 26 1HG2 VAL 26 -1.187 7.141 2.140 182 HG23 VAL 26 2HG2 VAL 26 -2.230 8.159 1.142 183 HA PRO 27 HA PRO 27 -3.130 11.716 5.598 184 HB2 PRO 27 1HB PRO 27 -2.016 10.807 7.915 185 HB3 PRO 27 2HB PRO 27 -3.781 10.878 7.708 186 HG2 PRO 27 1HG PRO 27 -2.038 8.476 7.335 187 HG3 PRO 27 2HG PRO 27 -3.557 8.603 8.285 188 HD2 PRO 27 1HD PRO 27 -3.520 7.651 5.769 189 HD3 PRO 27 2HD PRO 27 -4.876 8.643 6.351 190 H ALA 28 H ALA 28 -1.021 12.646 5.863 191 HA ALA 28 HA ALA 28 0.973 11.759 4.158 192 HB1 ALA 28 1HB ALA 28 1.198 13.636 6.532 193 HB2 ALA 28 2HB ALA 28 2.369 13.498 5.205 194 HB3 ALA 28 3HB ALA 28 0.730 14.086 4.872 195 H MET 29 H MET 29 0.347 10.745 7.398 196 HA MET 29 HA MET 29 2.807 10.021 8.405 197 HB2 MET 29 1HB MET 29 0.310 8.302 8.705 198 HB3 MET 29 2HB MET 29 1.660 8.450 9.818 199 HG2 MET 29 1HG MET 29 0.807 11.060 9.611 200 HG3 MET 29 2HG MET 29 -0.705 10.163 9.488 201 HE1 MET 29 3HE MET 29 -0.860 8.213 12.899 202 HE2 MET 29 1HE MET 29 -1.683 8.548 11.366 203 HE3 MET 29 2HE MET 29 -0.184 7.590 11.383 204 H TYR 30 H TYR 30 0.880 8.354 5.976 205 HA TYR 30 HA TYR 30 2.785 6.053 5.954 206 HB2 TYR 30 1HB TYR 30 0.201 6.506 4.446 207 HB3 TYR 30 2HB TYR 30 1.181 5.036 4.461 208 HD1 TYR 30 1HD TYR 30 1.630 3.882 6.728 209 HD2 TYR 30 2HD TYR 30 -1.497 6.771 6.078 210 HE1 TYR 30 1HE TYR 30 0.451 3.051 8.741 211 HE2 TYR 30 2HE TYR 30 -2.686 5.960 8.103 212 HH TYR 30 HH TYR 30 -1.921 4.631 10.342 213 H LEU 31 H LEU 31 2.581 9.030 4.320 214 HA LEU 31 HA LEU 31 3.468 8.056 1.695 215 HB2 LEU 31 1HB LEU 31 3.331 10.791 3.029 216 HB3 LEU 31 2HB LEU 31 4.183 10.560 1.523 217 HG LEU 31 HG LEU 31 1.914 11.446 1.309 218 HD11 LEU 31 1HD1 LEU 31 1.267 10.044 -0.640 219 HD12 LEU 31 2HD1 LEU 31 2.399 8.794 -0.106 220 HD13 LEU 31 3HD1 LEU 31 3.010 10.384 -0.613 221 HD21 LEU 31 3HD2 LEU 31 0.724 10.038 2.981 222 HD22 LEU 31 1HD2 LEU 31 0.909 8.641 1.920 223 HD23 LEU 31 2HD2 LEU 31 -0.048 10.043 1.396 224 H THR 32 H THR 32 4.848 8.621 4.767 225 HA THR 32 HA THR 32 7.457 9.394 4.201 226 HB THR 32 HB THR 32 8.023 8.399 6.412 227 HG1 THR 32 1HG THR 32 5.438 7.608 6.902 228 HG21 THR 32 3HG2 THR 32 6.793 10.541 6.454 229 HG22 THR 32 1HG2 THR 32 6.356 9.489 7.807 230 HG23 THR 32 2HG2 THR 32 5.244 9.634 6.449 231 HA PRO 33 HA PRO 33 9.493 5.876 2.391 232 HB2 PRO 33 1HB PRO 33 11.992 5.924 3.556 233 HB3 PRO 33 2HB PRO 33 11.444 7.035 2.266 234 HG2 PRO 33 1HG PRO 33 11.456 7.515 5.261 235 HG3 PRO 33 2HG PRO 33 12.034 8.593 3.941 236 HD2 PRO 33 1HD PRO 33 9.618 8.927 5.074 237 HD3 PRO 33 2HD PRO 33 9.837 9.146 3.311 238 H GLU 34 H GLU 34 8.869 6.027 5.796 239 HA GLU 34 HA GLU 34 10.090 3.659 6.729 240 HB2 GLU 34 1HB GLU 34 7.623 5.222 7.580 241 HB3 GLU 34 2HB GLU 34 8.272 3.903 8.537 242 HG2 GLU 34 1HG GLU 34 9.843 6.411 7.761 243 HG3 GLU 34 2HG GLU 34 8.920 6.215 9.244 244 H TYR 35 H TYR 35 7.253 4.093 4.786 245 HA TYR 35 HA TYR 35 6.279 1.315 5.312 246 HB2 TYR 35 1HB TYR 35 4.804 3.794 4.348 247 HB3 TYR 35 2HB TYR 35 4.088 2.208 4.597 248 HD1 TYR 35 1HD TYR 35 5.575 5.163 6.330 249 HD2 TYR 35 2HD TYR 35 3.598 1.357 6.845 250 HE1 TYR 35 1HE TYR 35 5.330 5.620 8.698 251 HE2 TYR 35 2HE TYR 35 3.191 1.888 9.219 252 HH TYR 35 HH TYR 35 3.412 3.511 10.918 253 H ASN 36 H ASN 36 8.347 2.425 3.325 254 HA ASN 36 HA ASN 36 7.051 2.423 0.720 255 HB2 ASN 36 1HB ASN 36 8.663 4.114 1.631 256 HB3 ASN 36 2HB ASN 36 9.959 2.935 1.474 257 HD21 ASN 36 1HD2 ASN 36 7.600 4.876 -0.294 258 HD22 ASN 36 2HD2 ASN 36 8.594 4.940 -1.739 259 H ILE 37 H ILE 37 6.491 0.182 0.497 260 HA ILE 37 HA ILE 37 8.492 -1.880 0.711 261 HB ILE 37 HB ILE 37 5.744 -2.416 -0.457 262 HG12 ILE 37 1HG1 ILE 37 6.392 -1.999 2.509 263 HG13 ILE 37 2HG1 ILE 37 5.302 -1.011 1.519 264 HG21 ILE 37 1HG2 ILE 37 6.139 -4.578 0.581 265 HG22 ILE 37 2HG2 ILE 37 7.548 -4.160 -0.384 266 HG23 ILE 37 3HG2 ILE 37 7.603 -3.989 1.383 267 HD11 ILE 37 3HD1 ILE 37 3.915 -2.458 2.718 268 HD12 ILE 37 1HD1 ILE 37 3.952 -3.043 1.043 269 HD13 ILE 37 2HD1 ILE 37 4.901 -3.871 2.309 270 H LYS 38 H LYS 38 9.838 -0.769 -0.807 271 HA LYS 38 HA LYS 38 9.266 -0.872 -3.636 272 HB2 LYS 38 1HB LYS 38 12.050 -0.848 -2.407 273 HB3 LYS 38 2HB LYS 38 11.638 -0.478 -4.082 274 HG2 LYS 38 1HG LYS 38 9.963 1.228 -2.545 275 HG3 LYS 38 2HG LYS 38 11.486 1.178 -1.688 276 HD2 LYS 38 1HD LYS 38 11.738 3.005 -3.071 277 HD3 LYS 38 2HD LYS 38 12.580 1.753 -3.993 278 HE2 LYS 38 1HE LYS 38 10.634 1.482 -5.451 279 HE3 LYS 38 2HE LYS 38 9.654 2.531 -4.397 280 HZ1 LYS 38 3HZ LYS 38 10.514 3.691 -6.390 281 HZ2 LYS 38 1HZ LYS 38 12.051 3.475 -5.852 282 HZ3 LYS 38 2HZ LYS 38 10.985 4.397 -5.013 283 H GLN 39 H GLN 39 10.342 -3.444 -1.485 284 HA GLN 39 HA GLN 39 11.100 -5.264 -3.638 285 HB2 GLN 39 1HB GLN 39 10.236 -5.777 -0.764 286 HB3 GLN 39 2HB GLN 39 10.962 -6.960 -1.839 287 HG2 GLN 39 1HG GLN 39 13.109 -6.043 -1.630 288 HG3 GLN 39 2HG GLN 39 12.516 -4.437 -1.216 289 HE21 GLN 39 1HE2 GLN 39 13.306 -7.659 0.193 290 HE22 GLN 39 2HE2 GLN 39 12.802 -7.224 1.797 291 H TRP 40 H TRP 40 9.324 -5.232 -5.142 292 HA TRP 40 HA TRP 40 6.801 -6.404 -4.042 293 HB2 TRP 40 1HB TRP 40 5.490 -5.242 -5.519 294 HB3 TRP 40 2HB TRP 40 6.368 -4.051 -4.575 295 HD1 TRP 40 HD TRP 40 7.938 -2.408 -5.844 296 HE1 TRP 40 1HE TRP 40 8.285 -1.788 -8.330 297 HE3 TRP 40 3HE TRP 40 5.261 -6.233 -8.101 298 HZ2 TRP 40 2HZ TRP 40 7.781 -2.996 -10.900 299 HZ3 TRP 40 3HZ TRP 40 5.320 -6.498 -10.500 300 HH2 TRP 40 HH TRP 40 6.576 -4.911 -11.933 301 H GLN 41 H GLN 41 9.140 -6.391 -6.687 302 HA GLN 41 HA GLN 41 7.933 -8.286 -8.395 303 HB2 GLN 41 1HB GLN 41 10.794 -7.833 -7.447 304 HB3 GLN 41 2HB GLN 41 10.391 -9.010 -8.691 305 HG2 GLN 41 1HG GLN 41 9.932 -7.393 -10.291 306 HG3 GLN 41 2HG GLN 41 9.276 -6.257 -9.126 307 HE21 GLN 41 1HE2 GLN 41 12.565 -7.815 -9.611 308 HE22 GLN 41 2HE2 GLN 41 13.391 -6.266 -9.566 309 H GLN 42 H GLN 42 9.757 -8.677 -5.402 310 HA GLN 42 HA GLN 42 9.809 -11.382 -4.955 311 HB2 GLN 42 1HB GLN 42 10.012 -8.834 -3.464 312 HB3 GLN 42 2HB GLN 42 9.319 -10.080 -2.444 313 HG2 GLN 42 1HG GLN 42 11.804 -10.670 -4.066 314 HG3 GLN 42 2HG GLN 42 11.857 -9.753 -2.557 315 HE21 GLN 42 1HE2 GLN 42 10.469 -12.934 -3.797 316 HE22 GLN 42 2HE2 GLN 42 10.545 -13.639 -2.197 317 H ARG 43 H ARG 43 6.953 -9.462 -4.946 318 HA ARG 43 HA ARG 43 5.478 -11.407 -3.231 319 HB2 ARG 43 1HB ARG 43 5.403 -8.369 -3.285 320 HB3 ARG 43 2HB ARG 43 4.058 -9.319 -2.647 321 HG2 ARG 43 1HG ARG 43 5.152 -10.025 -0.807 322 HG3 ARG 43 2HG ARG 43 6.739 -10.067 -1.574 323 HD2 ARG 43 1HD ARG 43 6.744 -8.422 0.161 324 HD3 ARG 43 2HD ARG 43 6.919 -7.633 -1.396 325 HE ARG 43 HE ARG 43 4.583 -7.620 0.433 326 HH11 ARG 43 1HH1 ARG 43 6.357 -5.907 -2.101 327 HH12 ARG 43 2HH1 ARG 43 5.004 -4.907 -2.582 328 HH21 ARG 43 1HH2 ARG 43 2.968 -5.977 0.106 329 HH22 ARG 43 2HH2 ARG 43 3.191 -4.811 -1.157 330 H ASN 44 H ASN 44 2.953 -10.883 -3.712 331 HA ASN 44 HA ASN 44 2.797 -11.907 -6.453 332 HB2 ASN 44 1HB ASN 44 1.366 -12.336 -4.057 333 HB3 ASN 44 2HB ASN 44 0.234 -11.481 -5.103 334 HD21 ASN 44 1HD2 ASN 44 1.944 -14.503 -4.540 335 HD22 ASN 44 2HD2 ASN 44 1.067 -15.373 -5.779 336 H LEU 45 H LEU 45 2.749 -8.846 -5.108 337 HA LEU 45 HA LEU 45 0.332 -7.790 -6.015 338 HB2 LEU 45 1HB LEU 45 2.973 -6.463 -5.265 339 HB3 LEU 45 2HB LEU 45 1.596 -5.527 -5.767 340 HG LEU 45 HG LEU 45 1.675 -5.453 -3.445 341 HD11 LEU 45 1HD1 LEU 45 -0.599 -5.610 -4.378 342 HD12 LEU 45 2HD1 LEU 45 -0.494 -6.221 -2.725 343 HD13 LEU 45 3HD1 LEU 45 -0.587 -7.365 -4.071 344 HD21 LEU 45 3HD2 LEU 45 3.050 -7.290 -2.963 345 HD22 LEU 45 1HD2 LEU 45 1.678 -8.428 -3.197 346 HD23 LEU 45 2HD2 LEU 45 1.642 -7.213 -1.900 347 HA PRO 46 HA PRO 46 1.233 -6.757 -10.324 348 HB2 PRO 46 1HB PRO 46 -0.375 -4.399 -10.368 349 HB3 PRO 46 2HB PRO 46 -1.044 -5.978 -10.712 350 HG2 PRO 46 1HG PRO 46 -0.994 -4.385 -8.253 351 HG3 PRO 46 2HG PRO 46 -2.257 -5.516 -8.879 352 HD2 PRO 46 1HD PRO 46 -0.654 -6.062 -6.777 353 HD3 PRO 46 2HD PRO 46 -1.260 -7.332 -7.887 354 H ALA 47 H ALA 47 2.186 -4.966 -11.417 355 HA ALA 47 HA ALA 47 4.162 -3.495 -9.920 356 HB1 ALA 47 1HB ALA 47 3.064 -2.984 -12.720 357 HB2 ALA 47 2HB ALA 47 4.598 -2.380 -12.053 358 HB3 ALA 47 3HB ALA 47 4.367 -4.122 -12.301 359 HA PRO 48 HA PRO 48 1.523 -0.115 -8.574 360 HB2 PRO 48 1HB PRO 48 3.250 1.989 -8.466 361 HB3 PRO 48 2HB PRO 48 3.376 0.629 -7.313 362 HG2 PRO 48 1HG PRO 48 4.911 1.005 -9.902 363 HG3 PRO 48 2HG PRO 48 5.591 0.676 -8.287 364 HD2 PRO 48 1HD PRO 48 5.149 -1.322 -10.064 365 HD3 PRO 48 2HD PRO 48 4.780 -1.579 -8.333 366 H ASP 49 H ASP 49 0.592 1.902 -9.505 367 HA ASP 49 HA ASP 49 0.847 2.088 -12.429 368 HB2 ASP 49 1HB ASP 49 -0.700 3.803 -10.473 369 HB3 ASP 49 2HB ASP 49 -0.690 4.020 -12.197 370 H ALA 50 H ALA 50 1.547 4.079 -13.351 371 HA ALA 50 HA ALA 50 4.191 4.558 -12.418 372 HB1 ALA 50 1HB ALA 50 2.625 5.674 -14.761 373 HB2 ALA 50 2HB ALA 50 4.411 5.592 -14.598 374 HB3 ALA 50 3HB ALA 50 3.452 4.102 -14.729 375 H GLY 51 H GLY 51 3.268 5.575 -10.428 376 HA2 GLY 51 2HA GLY 51 4.058 8.092 -9.776 377 HA3 GLY 51 1HA GLY 51 2.440 8.379 -10.445 378 H SER 52 H SER 52 3.240 5.307 -8.694 379 HA SER 52 HA SER 52 1.842 6.228 -6.292 380 HB2 SER 52 1HB SER 52 0.189 4.390 -6.474 381 HB3 SER 52 2HB SER 52 0.037 5.539 -7.806 382 HG SER 52 HG SER 52 1.457 3.965 -8.980 383 H HIS 53 H HIS 53 1.848 4.416 -4.599 384 HA HIS 53 HA HIS 53 3.980 2.434 -5.028 385 HB2 HIS 53 1HB HIS 53 4.959 4.612 -4.118 386 HB3 HIS 53 2HB HIS 53 4.065 4.295 -2.626 387 HD1 HIS 53 1HD HIS 53 6.511 2.394 -4.975 388 HD2 HIS 53 2HD HIS 53 5.427 2.754 -0.911 389 HE1 HIS 53 1HE HIS 53 8.014 0.821 -3.684 390 H TRP 54 H TRP 54 4.045 0.851 -3.367 391 HA TRP 54 HA TRP 54 1.342 0.293 -2.210 392 HB2 TRP 54 1HB TRP 54 3.689 -1.510 -2.854 393 HB3 TRP 54 2HB TRP 54 2.340 -2.026 -1.871 394 HD1 TRP 54 HD TRP 54 3.358 -1.530 -5.477 395 HE1 TRP 54 1HE TRP 54 1.571 -2.544 -6.975 396 HE3 TRP 54 3HE TRP 54 -0.364 -2.173 -2.045 397 HZ2 TRP 54 2HZ TRP 54 -1.356 -2.780 -6.886 398 HZ3 TRP 54 3HZ TRP 54 -2.696 -2.733 -2.786 399 HH2 TRP 54 HH TRP 54 -3.210 -2.944 -5.242 400 H THR 55 H THR 55 1.101 0.439 -0.031 401 HA THR 55 HA THR 55 3.545 0.661 1.645 402 HB THR 55 HB THR 55 2.393 2.578 2.793 403 HG1 THR 55 1HG THR 55 0.622 2.171 0.616 404 HG21 THR 55 3HG2 THR 55 2.892 3.040 -0.155 405 HG22 THR 55 1HG2 THR 55 4.159 2.913 1.094 406 HG23 THR 55 2HG2 THR 55 2.992 4.234 1.177 407 H TYR 56 H TYR 56 3.234 0.304 3.947 408 HA TYR 56 HA TYR 56 1.388 -1.951 4.279 409 HB2 TYR 56 1HB TYR 56 3.910 -1.887 4.899 410 HB3 TYR 56 2HB TYR 56 3.424 -0.956 6.299 411 HD1 TYR 56 1HD TYR 56 2.341 -4.045 4.448 412 HD2 TYR 56 2HD TYR 56 3.056 -2.230 8.284 413 HE1 TYR 56 1HE TYR 56 1.897 -6.219 5.544 414 HE2 TYR 56 2HE TYR 56 2.635 -4.415 9.383 415 HH TYR 56 HH TYR 56 2.025 -7.429 7.525 416 H MET 57 H MET 57 -0.616 -1.679 5.251 417 HA MET 57 HA MET 57 -0.903 0.393 7.384 418 HB2 MET 57 1HB MET 57 -2.736 0.196 4.970 419 HB3 MET 57 2HB MET 57 -2.972 1.188 6.422 420 HG2 MET 57 1HG MET 57 -0.698 2.240 5.921 421 HG3 MET 57 2HG MET 57 -0.807 1.461 4.339 422 HE1 MET 57 3HE MET 57 -1.377 3.617 2.430 423 HE2 MET 57 1HE MET 57 -1.223 5.042 3.469 424 HE3 MET 57 2HE MET 57 -0.169 3.623 3.712 425 H GLY 58 H GLY 58 -1.450 -0.806 9.108 426 HA2 GLY 58 2HA GLY 58 -2.783 -2.055 10.494 427 HA3 GLY 58 1HA GLY 58 -3.978 -2.207 9.202 428 H GLY 59 H GLY 59 -0.962 -3.227 8.031 429 HA2 GLY 59 2HA GLY 59 -0.053 -5.488 8.123 430 HA3 GLY 59 1HA GLY 59 -1.661 -6.113 8.401 431 H ASN 60 H ASN 60 -2.518 -3.843 6.376 432 HA ASN 60 HA ASN 60 -2.649 -5.662 4.098 433 HB2 ASN 60 1HB ASN 60 -3.762 -2.831 4.378 434 HB3 ASN 60 2HB ASN 60 -4.206 -4.034 3.176 435 HD21 ASN 60 1HD2 ASN 60 -4.733 -2.954 6.460 436 HD22 ASN 60 2HD2 ASN 60 -5.879 -4.235 6.889 437 H TYR 61 H TYR 61 -2.220 -4.825 1.916 438 HA TYR 61 HA TYR 61 0.089 -2.945 1.741 439 HB2 TYR 61 1HB TYR 61 -0.784 -5.174 -0.145 440 HB3 TYR 61 2HB TYR 61 0.574 -4.080 -0.398 441 HD1 TYR 61 1HD TYR 61 2.054 -4.000 2.070 442 HD2 TYR 61 2HD TYR 61 -0.155 -7.305 0.469 443 HE1 TYR 61 1HE TYR 61 3.607 -5.571 3.178 444 HE2 TYR 61 2HE TYR 61 1.446 -8.884 1.445 445 HH TYR 61 HH TYR 61 3.163 -8.820 3.544 446 H VAL 62 H VAL 62 -0.601 -0.930 0.953 447 HA VAL 62 HA VAL 62 -3.033 -1.003 -0.771 448 HB VAL 62 HB VAL 62 -4.086 0.608 0.518 449 HG11 VAL 62 1HG1 VAL 62 -4.469 -0.442 2.619 450 HG12 VAL 62 2HG1 VAL 62 -4.036 -1.750 1.501 451 HG13 VAL 62 3HG1 VAL 62 -2.851 -1.151 2.672 452 HG21 VAL 62 3HG2 VAL 62 -3.148 1.698 2.473 453 HG22 VAL 62 1HG2 VAL 62 -1.585 0.863 2.246 454 HG23 VAL 62 2HG2 VAL 62 -2.153 2.053 1.063 455 H LEU 63 H LEU 63 -3.079 0.365 -2.409 456 HA LEU 63 HA LEU 63 -0.428 1.376 -3.250 457 HB2 LEU 63 1HB LEU 63 -1.604 -0.208 -4.711 458 HB3 LEU 63 2HB LEU 63 -2.993 0.867 -4.810 459 HG LEU 63 HG LEU 63 -1.551 2.578 -5.917 460 HD11 LEU 63 1HD1 LEU 63 0.595 0.466 -5.524 461 HD12 LEU 63 2HD1 LEU 63 0.625 2.208 -5.174 462 HD13 LEU 63 3HD1 LEU 63 0.701 1.654 -6.838 463 HD21 LEU 63 3HD2 LEU 63 -1.417 -0.162 -7.269 464 HD22 LEU 63 1HD2 LEU 63 -1.372 1.427 -8.073 465 HD23 LEU 63 2HD2 LEU 63 -2.841 0.903 -7.255 466 H ILE 64 H ILE 64 -0.095 3.486 -2.767 467 HA ILE 64 HA ILE 64 -2.411 5.361 -2.682 468 HB ILE 64 HB ILE 64 -1.010 6.703 -1.213 469 HG12 ILE 64 1HG1 ILE 64 0.985 4.413 -1.053 470 HG13 ILE 64 2HG1 ILE 64 1.253 5.898 -1.984 471 HG21 ILE 64 1HG2 ILE 64 -2.636 5.132 -0.329 472 HG22 ILE 64 2HG2 ILE 64 -1.371 3.857 -0.228 473 HG23 ILE 64 3HG2 ILE 64 -1.271 5.309 0.770 474 HD11 ILE 64 3HD1 ILE 64 0.945 5.673 1.024 475 HD12 ILE 64 1HD1 ILE 64 2.337 6.242 0.086 476 HD13 ILE 64 2HD1 ILE 64 0.848 7.207 0.134 477 H THR 65 H THR 65 -2.123 7.469 -3.855 478 HA THR 65 HA THR 65 -0.125 7.301 -5.996 479 HB THR 65 HB THR 65 -0.969 9.912 -6.005 480 HG1 THR 65 1HG THR 65 -3.291 9.662 -5.840 481 HG21 THR 65 3HG2 THR 65 -0.895 8.382 -7.899 482 HG22 THR 65 1HG2 THR 65 -2.472 9.159 -7.825 483 HG23 THR 65 2HG2 THR 65 -2.308 7.495 -7.249 484 H ASP 66 H ASP 66 1.823 8.443 -6.026 485 HA ASP 66 HA ASP 66 2.982 8.695 -3.415 486 HB2 ASP 66 1HB ASP 66 3.933 8.046 -5.789 487 HB3 ASP 66 2HB ASP 66 4.257 9.767 -5.932 488 H THR 67 H THR 67 1.205 10.808 -5.219 489 HA THR 67 HA THR 67 2.470 13.323 -4.304 490 HB THR 67 HB THR 67 2.734 12.580 -6.640 491 HG1 THR 67 1HG THR 67 2.711 14.733 -6.253 492 HG21 THR 67 3HG2 THR 67 -0.294 12.812 -6.901 493 HG22 THR 67 1HG2 THR 67 0.652 11.309 -7.040 494 HG23 THR 67 2HG2 THR 67 0.860 12.592 -8.225 495 H GLU 68 H GLU 68 -0.169 11.499 -3.603 496 HA GLU 68 HA GLU 68 -1.983 13.700 -2.893 497 HB2 GLU 68 1HB GLU 68 -2.427 13.373 -5.261 498 HB3 GLU 68 2HB GLU 68 -2.628 11.665 -5.074 499 HG2 GLU 68 1HG GLU 68 -4.808 11.930 -4.780 500 HG3 GLU 68 2HG GLU 68 -4.562 12.997 -3.386 501 H GLY 69 H GLY 69 -1.152 10.224 -3.075 502 HA2 GLY 69 2HA GLY 69 -1.281 8.665 -1.488 503 HA3 GLY 69 1HA GLY 69 -2.016 9.802 -0.399 504 H LYS 70 H LYS 70 -3.572 9.431 -3.460 505 HA LYS 70 HA LYS 70 -6.054 8.630 -2.244 506 HB2 LYS 70 1HB LYS 70 -5.607 10.007 -4.374 507 HB3 LYS 70 2HB LYS 70 -5.356 8.472 -5.199 508 HG2 LYS 70 1HG LYS 70 -7.856 9.269 -3.631 509 HG3 LYS 70 2HG LYS 70 -7.646 9.473 -5.374 510 HD2 LYS 70 1HD LYS 70 -6.999 6.817 -5.014 511 HD3 LYS 70 2HD LYS 70 -8.227 7.078 -3.753 512 HE2 LYS 70 1HE LYS 70 -9.856 7.711 -5.381 513 HE3 LYS 70 2HE LYS 70 -8.632 7.969 -6.620 514 HZ1 LYS 70 3HZ LYS 70 -8.372 5.724 -6.950 515 HZ2 LYS 70 1HZ LYS 70 -9.973 5.851 -6.738 516 HZ3 LYS 70 2HZ LYS 70 -9.019 5.273 -5.490 517 H ILE 71 H ILE 71 -6.924 6.717 -1.903 518 HA ILE 71 HA ILE 71 -5.237 4.390 -2.012 519 HB ILE 71 HB ILE 71 -8.120 4.828 -1.146 520 HG12 ILE 71 1HG1 ILE 71 -5.474 4.721 0.421 521 HG13 ILE 71 2HG1 ILE 71 -6.506 6.116 0.197 522 HG21 ILE 71 1HG2 ILE 71 -6.361 2.397 -0.614 523 HG22 ILE 71 2HG2 ILE 71 -8.009 2.661 -0.026 524 HG23 ILE 71 3HG2 ILE 71 -7.725 2.452 -1.752 525 HD11 ILE 71 3HD1 ILE 71 -7.020 3.686 1.882 526 HD12 ILE 71 1HD1 ILE 71 -6.939 5.393 2.363 527 HD13 ILE 71 2HD1 ILE 71 -8.326 4.810 1.416 528 H LEU 72 H LEU 72 -4.757 3.964 -4.037 529 HA LEU 72 HA LEU 72 -6.633 3.949 -6.245 530 HB2 LEU 72 1HB LEU 72 -3.836 2.781 -5.960 531 HB3 LEU 72 2HB LEU 72 -4.758 2.818 -7.442 532 HG LEU 72 HG LEU 72 -3.506 5.139 -5.962 533 HD11 LEU 72 1HD1 LEU 72 -2.415 5.514 -8.148 534 HD12 LEU 72 2HD1 LEU 72 -3.271 4.118 -8.827 535 HD13 LEU 72 3HD1 LEU 72 -2.082 3.904 -7.537 536 HD21 LEU 72 3HD2 LEU 72 -4.507 6.615 -7.775 537 HD22 LEU 72 1HD2 LEU 72 -5.673 6.015 -6.606 538 HD23 LEU 72 2HD2 LEU 72 -5.571 5.255 -8.211 539 H LYS 73 H LYS 73 -5.005 1.398 -4.264 540 HA LYS 73 HA LYS 73 -7.225 -0.444 -4.705 541 HB2 LYS 73 1HB LYS 73 -4.421 -0.970 -5.807 542 HB3 LYS 73 2HB LYS 73 -5.568 -2.256 -5.398 543 HG2 LYS 73 1HG LYS 73 -7.244 -1.175 -6.944 544 HG3 LYS 73 2HG LYS 73 -5.964 -0.098 -7.518 545 HD2 LYS 73 1HD LYS 73 -5.549 -3.084 -7.485 546 HD3 LYS 73 2HD LYS 73 -6.547 -2.444 -8.687 547 HE2 LYS 73 1HE LYS 73 -3.772 -1.303 -8.376 548 HE3 LYS 73 2HE LYS 73 -4.055 -2.795 -9.297 549 HZ1 LYS 73 3HZ LYS 73 -4.093 -0.868 -10.730 550 HZ2 LYS 73 1HZ LYS 73 -5.296 -0.153 -9.883 551 HZ3 LYS 73 2HZ LYS 73 -5.547 -1.578 -10.725 552 H VAL 74 H VAL 74 -6.899 -2.435 -3.250 553 HA VAL 74 HA VAL 74 -4.980 -2.068 -1.043 554 HB VAL 74 HB VAL 74 -8.002 -2.432 -0.796 555 HG11 VAL 74 1HG1 VAL 74 -6.517 -3.628 0.990 556 HG12 VAL 74 2HG1 VAL 74 -6.165 -2.002 1.580 557 HG13 VAL 74 3HG1 VAL 74 -7.825 -2.582 1.535 558 HG21 VAL 74 3HG2 VAL 74 -7.416 -0.059 -1.233 559 HG22 VAL 74 1HG2 VAL 74 -8.043 -0.290 0.394 560 HG23 VAL 74 2HG2 VAL 74 -6.294 -0.085 0.132 561 H TYR 75 H TYR 75 -4.168 -4.112 -0.458 562 HA TYR 75 HA TYR 75 -5.774 -6.474 -1.087 563 HB2 TYR 75 1HB TYR 75 -2.888 -5.998 -1.891 564 HB3 TYR 75 2HB TYR 75 -3.471 -7.616 -1.508 565 HD1 TYR 75 2HD TYR 75 -5.528 -8.490 -2.693 566 HD2 TYR 75 1HD TYR 75 -3.254 -5.169 -4.147 567 HE1 TYR 75 2HE TYR 75 -6.598 -8.780 -4.881 568 HE2 TYR 75 1HE TYR 75 -4.325 -5.464 -6.396 569 HH TYR 75 HH TYR 75 -6.989 -7.730 -6.951 570 H ASP 76 H ASP 76 -5.648 -8.000 0.547 571 HA ASP 76 HA ASP 76 -4.708 -7.217 3.149 572 HB2 ASP 76 1HB ASP 76 -6.541 -8.894 2.519 573 HB3 ASP 76 2HB ASP 76 -5.248 -10.044 2.174 574 H GLY 77 H GLY 77 -2.827 -7.936 4.277 575 HA2 GLY 77 2HA GLY 77 -0.352 -8.238 2.915 576 HA3 GLY 77 1HA GLY 77 -0.667 -8.526 4.614 577 H GLU 78 H GLU 78 -2.754 -10.666 3.851 578 HA GLU 78 HA GLU 78 -1.039 -12.921 3.854 579 HB2 GLU 78 1HB GLU 78 -3.976 -12.595 3.161 580 HB3 GLU 78 2HB GLU 78 -3.143 -14.154 3.134 581 HG2 GLU 78 1HG GLU 78 -2.325 -13.181 5.589 582 HG3 GLU 78 2HG GLU 78 -3.910 -12.443 5.456 583 H ILE 79 H ILE 79 -2.023 -10.975 1.125 584 HA ILE 79 HA ILE 79 -1.614 -12.849 -0.956 585 HB ILE 79 HB ILE 79 -2.646 -10.529 -1.031 586 HG12 ILE 79 1HG1 ILE 79 -0.507 -10.917 -3.130 587 HG13 ILE 79 2HG1 ILE 79 -1.932 -11.960 -3.047 588 HG21 ILE 79 1HG2 ILE 79 -0.593 -9.451 0.124 589 HG22 ILE 79 2HG2 ILE 79 0.207 -9.514 -1.447 590 HG23 ILE 79 3HG2 ILE 79 -1.289 -8.574 -1.241 591 HD11 ILE 79 3HD1 ILE 79 -3.413 -10.139 -3.471 592 HD12 ILE 79 1HD1 ILE 79 -2.117 -8.933 -3.313 593 HD13 ILE 79 2HD1 ILE 79 -2.098 -10.058 -4.667 594 H PHE 80 H PHE 80 0.670 -11.548 1.288 595 HA PHE 80 HA PHE 80 3.036 -11.613 -0.363 596 HB2 PHE 80 1HB PHE 80 2.820 -10.411 1.806 597 HB3 PHE 80 2HB PHE 80 2.559 -11.926 2.618 598 HD1 PHE 80 1HD PHE 80 5.275 -11.994 0.078 599 HD2 PHE 80 2HD PHE 80 4.237 -11.249 4.180 600 HE1 PHE 80 1HE PHE 80 7.629 -12.247 0.710 601 HE2 PHE 80 2HE PHE 80 6.587 -11.617 4.850 602 HZ PHE 80 HZ PHE 80 8.307 -12.118 3.109 603 H TYR 81 H TYR 81 1.442 -14.004 1.825 604 HA TYR 81 HA TYR 81 3.625 -15.891 1.440 605 HB2 TYR 81 1HB TYR 81 1.005 -16.237 2.928 606 HB3 TYR 81 2HB TYR 81 2.451 -17.224 3.100 607 HD1 TYR 81 1HD TYR 81 0.904 -13.943 3.847 608 HD2 TYR 81 2HD TYR 81 4.397 -16.401 4.383 609 HE1 TYR 81 1HE TYR 81 1.841 -12.244 5.375 610 HE2 TYR 81 2HE TYR 81 5.354 -14.697 5.917 611 HH TYR 81 HH TYR 81 4.976 -12.659 7.060 612 H HIS 82 H HIS 82 0.721 -15.226 -0.126 613 HA HIS 82 HA HIS 82 -0.359 -17.555 -1.179 614 HB2 HIS 82 1HB HIS 82 -1.294 -15.251 -1.195 615 HB3 HIS 82 2HB HIS 82 0.013 -14.737 -2.258 616 HD1 HIS 82 1HD HIS 82 -2.466 -17.720 -2.875 617 HD2 HIS 82 2HD HIS 82 -1.233 -13.949 -4.286 618 HE1 HIS 82 1HE HIS 82 -3.833 -17.233 -4.951 619 H ARG 83 H ARG 83 0.445 -18.991 -2.664 620 HA ARG 83 HA ARG 83 2.684 -18.219 -4.405 621 HB2 ARG 83 1HB ARG 83 2.605 -20.581 -2.466 622 HB3 ARG 83 2HB ARG 83 3.519 -20.660 -3.977 623 HG2 ARG 83 1HG ARG 83 4.818 -18.671 -3.355 624 HG3 ARG 83 2HG ARG 83 3.951 -18.556 -1.816 625 HD2 ARG 83 1HD ARG 83 5.436 -21.080 -2.610 626 HD3 ARG 83 2HD ARG 83 6.291 -19.711 -1.897 627 HE ARG 83 HE ARG 83 4.080 -20.267 -0.244 628 HH11 ARG 83 1HH1 ARG 83 7.187 -21.717 -1.170 629 HH12 ARG 83 2HH1 ARG 83 7.311 -22.758 0.184 630 HH21 ARG 83 1HH2 ARG 83 4.371 -21.444 1.791 631 HH22 ARG 83 2HH2 ARG 83 5.690 -22.531 1.929 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -12.983 -19.981 -6.972 2 HA2 GLY 1 2HA GLY 1 -14.837 -17.933 -8.017 3 HA3 GLY 1 1HA GLY 1 -13.965 -17.851 -6.482 4 H ALA 2 H ALA 2 -12.033 -16.670 -6.552 5 HA ALA 2 HA ALA 2 -10.644 -16.361 -9.165 6 HB1 ALA 2 1HB ALA 2 -9.258 -14.701 -8.015 7 HB2 ALA 2 2HB ALA 2 -10.967 -14.269 -7.824 8 HB3 ALA 2 3HB ALA 2 -10.087 -15.028 -6.472 9 H ALA 3 H ALA 3 -8.172 -16.853 -8.932 10 HA ALA 3 HA ALA 3 -7.447 -18.473 -6.584 11 HB1 ALA 3 1HB ALA 3 -7.295 -19.583 -9.401 12 HB2 ALA 3 2HB ALA 3 -6.533 -20.317 -7.970 13 HB3 ALA 3 3HB ALA 3 -8.290 -20.191 -8.058 14 H GLY 4 H GLY 4 -6.707 -15.858 -8.138 15 HA2 GLY 4 2HA GLY 4 -3.743 -16.273 -8.213 16 HA3 GLY 4 1HA GLY 4 -4.646 -14.984 -9.033 17 H ILE 5 H ILE 5 -4.948 -13.222 -8.076 18 HA ILE 5 HA ILE 5 -4.092 -12.879 -5.230 19 HB ILE 5 HB ILE 5 -3.275 -10.693 -5.773 20 HG12 ILE 5 1HG1 ILE 5 -3.518 -11.267 -8.718 21 HG13 ILE 5 2HG1 ILE 5 -4.700 -10.305 -7.810 22 HG21 ILE 5 1HG2 ILE 5 -1.242 -11.447 -7.011 23 HG22 ILE 5 2HG2 ILE 5 -1.726 -12.587 -5.745 24 HG23 ILE 5 3HG2 ILE 5 -2.069 -12.919 -7.466 25 HD11 ILE 5 3HD1 ILE 5 -1.744 -9.650 -8.111 26 HD12 ILE 5 1HD1 ILE 5 -3.134 -8.774 -8.751 27 HD13 ILE 5 2HD1 ILE 5 -2.870 -8.821 -7.008 28 H ASP 6 H ASP 6 -6.659 -12.286 -7.495 29 HA ASP 6 HA ASP 6 -7.756 -9.967 -6.268 30 HB2 ASP 6 1HB ASP 6 -8.104 -11.146 -8.609 31 HB3 ASP 6 2HB ASP 6 -9.403 -11.978 -7.783 32 H GLN 7 H GLN 7 -7.733 -13.209 -5.304 33 HA GLN 7 HA GLN 7 -10.077 -13.321 -3.613 34 HB2 GLN 7 1HB GLN 7 -9.096 -15.300 -2.695 35 HB3 GLN 7 2HB GLN 7 -8.784 -15.309 -4.430 36 HG2 GLN 7 1HG GLN 7 -6.453 -14.351 -3.862 37 HG3 GLN 7 2HG GLN 7 -6.835 -14.701 -2.165 38 HE21 GLN 7 1HE2 GLN 7 -5.550 -15.971 -5.025 39 HE22 GLN 7 2HE2 GLN 7 -5.719 -17.660 -4.756 40 H TYR 8 H TYR 8 -6.938 -11.762 -3.294 41 HA TYR 8 HA TYR 8 -7.375 -11.270 -0.400 42 HB2 TYR 8 1HB TYR 8 -4.910 -10.667 -2.030 43 HB3 TYR 8 2HB TYR 8 -5.074 -10.666 -0.295 44 HD1 TYR 8 2HD TYR 8 -5.001 -12.777 0.965 45 HD2 TYR 8 1HD TYR 8 -4.477 -12.662 -3.255 46 HE1 TYR 8 2HE TYR 8 -3.972 -15.065 1.020 47 HE2 TYR 8 1HE TYR 8 -3.478 -14.907 -3.272 48 HH TYR 8 HH TYR 8 -3.185 -16.878 -0.235 49 H ALA 9 H ALA 9 -8.328 -9.819 -3.218 50 HA ALA 9 HA ALA 9 -7.426 -7.108 -2.544 51 HB1 ALA 9 1HB ALA 9 -7.796 -6.551 -4.646 52 HB2 ALA 9 2HB ALA 9 -7.831 -8.246 -4.969 53 HB3 ALA 9 3HB ALA 9 -9.377 -7.418 -4.784 54 H LEU 10 H LEU 10 -8.156 -6.100 -0.949 55 HA LEU 10 HA LEU 10 -10.671 -6.952 0.229 56 HB2 LEU 10 1HB LEU 10 -9.415 -4.425 1.261 57 HB3 LEU 10 2HB LEU 10 -10.730 -5.484 1.882 58 HG LEU 10 HG LEU 10 -9.149 -7.335 1.860 59 HD11 LEU 10 1HD1 LEU 10 -7.454 -6.671 0.599 60 HD12 LEU 10 2HD1 LEU 10 -6.735 -6.063 2.162 61 HD13 LEU 10 3HD1 LEU 10 -7.480 -5.014 0.857 62 HD21 LEU 10 3HD2 LEU 10 -8.102 -6.960 3.943 63 HD22 LEU 10 1HD2 LEU 10 -9.825 -6.501 3.916 64 HD23 LEU 10 2HD2 LEU 10 -8.587 -5.206 3.907 65 H LYS 11 H LYS 11 -11.782 -4.522 0.812 66 HA LYS 11 HA LYS 11 -12.143 -2.826 -1.614 67 HB2 LYS 11 1HB LYS 11 -14.724 -2.647 -1.065 68 HB3 LYS 11 2HB LYS 11 -14.148 -4.127 -1.796 69 HG2 LYS 11 1HG LYS 11 -14.051 -5.242 0.297 70 HG3 LYS 11 2HG LYS 11 -14.584 -3.807 1.196 71 HD2 LYS 11 1HD LYS 11 -16.240 -5.125 -0.990 72 HD3 LYS 11 2HD LYS 11 -16.272 -5.661 0.694 73 HE2 LYS 11 1HE LYS 11 -16.803 -3.299 1.391 74 HE3 LYS 11 2HE LYS 11 -17.008 -2.864 -0.307 75 HZ1 LYS 11 3HZ LYS 11 -18.460 -4.913 1.226 76 HZ2 LYS 11 1HZ LYS 11 -18.708 -4.660 -0.399 77 HZ3 LYS 11 2HZ LYS 11 -19.093 -3.496 0.737 78 H GLU 12 H GLU 12 -11.656 -3.157 1.773 79 HA GLU 12 HA GLU 12 -11.479 -0.341 2.293 80 HB2 GLU 12 1HB GLU 12 -13.342 -0.105 3.858 81 HB3 GLU 12 2HB GLU 12 -13.940 -0.534 2.266 82 HG2 GLU 12 1HG GLU 12 -14.032 -2.996 3.208 83 HG3 GLU 12 2HG GLU 12 -13.803 -2.227 4.773 84 H PHE 13 H PHE 13 -11.065 -0.073 4.732 85 HA PHE 13 HA PHE 13 -10.492 -2.433 6.227 86 HB2 PHE 13 1HB PHE 13 -8.067 -2.139 6.450 87 HB3 PHE 13 2HB PHE 13 -8.489 -2.487 4.805 88 HD1 PHE 13 1HD PHE 13 -8.616 -0.511 3.091 89 HD2 PHE 13 2HD PHE 13 -6.695 -0.280 6.949 90 HE1 PHE 13 1HE PHE 13 -7.213 1.358 2.286 91 HE2 PHE 13 2HE PHE 13 -5.310 1.601 6.135 92 HZ PHE 13 HZ PHE 13 -5.563 2.436 3.820 93 H THR 14 H THR 14 -9.375 -1.755 8.298 94 HA THR 14 HA THR 14 -9.656 1.135 8.894 95 HB THR 14 HB THR 14 -9.449 -0.740 11.217 96 HG1 THR 14 1HG THR 14 -11.675 -1.072 11.237 97 HG21 THR 14 3HG2 THR 14 -9.592 1.735 11.493 98 HG22 THR 14 1HG2 THR 14 -10.978 0.916 12.228 99 HG23 THR 14 2HG2 THR 14 -11.165 1.738 10.667 100 H ALA 15 H ALA 15 -7.744 2.070 9.581 101 HA ALA 15 HA ALA 15 -5.714 0.344 10.739 102 HB1 ALA 15 1HB ALA 15 -3.861 1.524 9.539 103 HB2 ALA 15 2HB ALA 15 -4.773 0.393 8.517 104 HB3 ALA 15 3HB ALA 15 -5.044 2.148 8.380 105 H ASP 16 H ASP 16 -4.656 1.484 12.350 106 HA ASP 16 HA ASP 16 -4.420 3.070 14.006 107 HB2 ASP 16 1HB ASP 16 -3.337 3.841 11.615 108 HB3 ASP 16 2HB ASP 16 -4.249 5.274 12.008 109 H PHE 17 H PHE 17 -7.145 2.636 13.275 110 HA PHE 17 HA PHE 17 -9.157 3.146 14.029 111 HB2 PHE 17 1HB PHE 17 -8.162 5.745 15.228 112 HB3 PHE 17 2HB PHE 17 -9.582 4.838 15.689 113 HD1 PHE 17 2HD PHE 17 -9.276 2.606 16.930 114 HD2 PHE 17 1HD PHE 17 -6.033 5.339 16.224 115 HE1 PHE 17 2HE PHE 17 -7.916 1.477 18.678 116 HE2 PHE 17 1HE PHE 17 -4.705 4.252 18.001 117 HZ PHE 17 HZ PHE 17 -5.628 2.344 19.223 118 H THR 18 H THR 18 -7.846 4.306 11.562 119 HA THR 18 HA THR 18 -9.941 6.284 10.844 120 HB THR 18 HB THR 18 -7.307 5.677 9.441 121 HG1 THR 18 1HG THR 18 -8.000 7.632 11.326 122 HG21 THR 18 3HG2 THR 18 -7.762 7.753 8.241 123 HG22 THR 18 1HG2 THR 18 -9.270 8.008 9.163 124 HG23 THR 18 2HG2 THR 18 -9.123 6.666 8.016 125 H GLN 19 H GLN 19 -11.427 5.665 9.402 126 HA GLN 19 HA GLN 19 -11.456 2.980 8.210 127 HB2 GLN 19 1HB GLN 19 -13.424 3.938 9.314 128 HB3 GLN 19 2HB GLN 19 -13.434 5.325 8.234 129 HG2 GLN 19 1HG GLN 19 -14.266 4.085 6.474 130 HG3 GLN 19 2HG GLN 19 -13.529 2.576 7.023 131 HE21 GLN 19 1HE2 GLN 19 -14.583 1.265 8.460 132 HE22 GLN 19 2HE2 GLN 19 -16.281 1.349 8.603 133 H PHE 20 H PHE 20 -11.586 2.633 5.883 134 HA PHE 20 HA PHE 20 -10.782 4.819 4.044 135 HB2 PHE 20 1HB PHE 20 -9.090 2.373 4.764 136 HB3 PHE 20 2HB PHE 20 -8.759 3.451 3.432 137 HD1 PHE 20 2HD PHE 20 -8.402 6.025 4.125 138 HD2 PHE 20 1HD PHE 20 -7.980 2.670 6.790 139 HE1 PHE 20 2HE PHE 20 -6.831 7.343 5.531 140 HE2 PHE 20 1HE PHE 20 -6.407 3.986 8.186 141 HZ PHE 20 HZ PHE 20 -5.820 6.302 7.563 142 H HIS 21 H HIS 21 -11.211 4.323 1.893 143 HA HIS 21 HA HIS 21 -12.007 1.528 1.244 144 HB2 HIS 21 1HB HIS 21 -13.476 3.990 0.271 145 HB3 HIS 21 2HB HIS 21 -13.974 2.308 0.220 146 HD1 HIS 21 1HD HIS 21 -13.740 5.251 2.573 147 HD2 HIS 21 2HD HIS 21 -15.253 1.336 2.416 148 HE1 HIS 21 1HE HIS 21 -15.245 4.969 4.673 149 H ILE 22 H ILE 22 -12.179 1.236 -1.181 150 HA ILE 22 HA ILE 22 -9.877 2.208 -2.600 151 HB ILE 22 HB ILE 22 -12.399 1.183 -3.946 152 HG12 ILE 22 1HG1 ILE 22 -12.035 -0.500 -2.442 153 HG13 ILE 22 2HG1 ILE 22 -11.382 -1.038 -3.974 154 HG21 ILE 22 1HG2 ILE 22 -10.864 0.442 -5.704 155 HG22 ILE 22 2HG2 ILE 22 -10.695 2.183 -5.438 156 HG23 ILE 22 3HG2 ILE 22 -9.485 1.069 -4.780 157 HD11 ILE 22 3HD1 ILE 22 -9.050 -0.363 -3.002 158 HD12 ILE 22 1HD1 ILE 22 -9.894 -0.306 -1.439 159 HD13 ILE 22 2HD1 ILE 22 -9.854 -1.821 -2.373 160 H GLY 23 H GLY 23 -9.673 4.278 -2.779 161 HA2 GLY 23 2HA GLY 23 -10.207 6.168 -4.319 162 HA3 GLY 23 1HA GLY 23 -11.895 6.007 -3.863 163 H ASP 24 H ASP 24 -10.492 5.687 -0.864 164 HA ASP 24 HA ASP 24 -10.811 8.557 -0.226 165 HB2 ASP 24 1HB ASP 24 -10.036 6.134 1.409 166 HB3 ASP 24 2HB ASP 24 -9.949 7.759 2.077 167 H THR 25 H THR 25 -8.714 9.201 1.448 168 HA THR 25 HA THR 25 -6.229 8.730 -0.108 169 HB THR 25 HB THR 25 -6.115 11.238 1.171 170 HG1 THR 25 1HG THR 25 -8.553 10.878 -0.066 171 HG21 THR 25 3HG2 THR 25 -5.616 12.174 -0.997 172 HG22 THR 25 1HG2 THR 25 -6.231 10.719 -1.794 173 HG23 THR 25 2HG2 THR 25 -4.791 10.632 -0.750 174 H VAL 26 H VAL 26 -4.411 8.299 1.150 175 HA VAL 26 HA VAL 26 -4.858 7.782 4.011 176 HB VAL 26 HB VAL 26 -2.631 6.954 4.012 177 HG11 VAL 26 1HG1 VAL 26 -4.518 5.635 2.876 178 HG12 VAL 26 2HG1 VAL 26 -3.739 6.054 1.345 179 HG13 VAL 26 3HG1 VAL 26 -2.854 5.118 2.581 180 HG21 VAL 26 3HG2 VAL 26 -2.059 8.752 1.838 181 HG22 VAL 26 1HG2 VAL 26 -0.974 7.742 2.819 182 HG23 VAL 26 2HG2 VAL 26 -1.677 7.112 1.330 183 HA PRO 27 HA PRO 27 -3.030 11.749 5.288 184 HB2 PRO 27 1HB PRO 27 -2.014 11.140 7.724 185 HB3 PRO 27 2HB PRO 27 -3.772 11.191 7.395 186 HG2 PRO 27 1HG PRO 27 -1.991 8.789 7.441 187 HG3 PRO 27 2HG PRO 27 -3.542 9.025 8.317 188 HD2 PRO 27 1HD PRO 27 -3.409 7.717 5.931 189 HD3 PRO 27 2HD PRO 27 -4.791 8.766 6.354 190 H ALA 28 H ALA 28 -0.904 12.707 5.551 191 HA ALA 28 HA ALA 28 1.021 11.512 3.836 192 HB1 ALA 28 1HB ALA 28 2.414 13.414 4.319 193 HB2 ALA 28 2HB ALA 28 0.736 13.916 4.010 194 HB3 ALA 28 3HB ALA 28 1.376 13.875 5.678 195 H MET 29 H MET 29 0.496 10.905 7.109 196 HA MET 29 HA MET 29 3.125 10.451 8.085 197 HB2 MET 29 1HB MET 29 0.714 8.823 8.894 198 HB3 MET 29 2HB MET 29 2.074 9.369 9.881 199 HG2 MET 29 1HG MET 29 0.846 11.762 9.050 200 HG3 MET 29 2HG MET 29 -0.491 10.637 9.307 201 HE1 MET 29 3HE MET 29 2.948 11.616 10.991 202 HE2 MET 29 1HE MET 29 2.009 13.128 10.889 203 HE3 MET 29 2HE MET 29 2.353 12.395 12.476 204 H TYR 30 H TYR 30 0.928 8.548 5.951 205 HA TYR 30 HA TYR 30 2.850 6.262 6.075 206 HB2 TYR 30 1HB TYR 30 0.085 6.446 4.894 207 HB3 TYR 30 2HB TYR 30 1.052 4.990 5.034 208 HD1 TYR 30 1HD TYR 30 1.885 4.482 7.642 209 HD2 TYR 30 2HD TYR 30 -1.438 6.946 6.494 210 HE1 TYR 30 1HE TYR 30 0.962 4.302 9.945 211 HE2 TYR 30 2HE TYR 30 -2.335 6.838 8.820 212 HH TYR 30 HH TYR 30 -0.908 6.084 11.407 213 H LEU 31 H LEU 31 2.179 8.961 4.166 214 HA LEU 31 HA LEU 31 2.906 7.967 1.559 215 HB2 LEU 31 1HB LEU 31 3.107 10.672 2.946 216 HB3 LEU 31 2HB LEU 31 3.926 10.429 1.442 217 HG LEU 31 HG LEU 31 1.723 11.573 1.292 218 HD11 LEU 31 1HD1 LEU 31 2.253 9.036 -0.250 219 HD12 LEU 31 2HD1 LEU 31 2.645 10.704 -0.715 220 HD13 LEU 31 3HD1 LEU 31 0.951 10.140 -0.690 221 HD21 LEU 31 3HD2 LEU 31 0.343 8.926 1.374 222 HD22 LEU 31 1HD2 LEU 31 -0.329 10.565 1.492 223 HD23 LEU 31 2HD2 LEU 31 0.518 9.822 2.865 224 H THR 32 H THR 32 4.681 8.567 4.529 225 HA THR 32 HA THR 32 7.125 9.147 3.350 226 HB THR 32 HB THR 32 8.135 8.843 5.516 227 HG1 THR 32 1HG THR 32 5.640 7.878 6.488 228 HG21 THR 32 3HG2 THR 32 6.430 10.721 4.955 229 HG22 THR 32 1HG2 THR 32 6.994 10.463 6.633 230 HG23 THR 32 2HG2 THR 32 5.387 9.879 6.119 231 HA PRO 33 HA PRO 33 8.496 5.486 1.635 232 HB2 PRO 33 1HB PRO 33 11.155 5.744 1.389 233 HB3 PRO 33 2HB PRO 33 10.039 6.863 0.565 234 HG2 PRO 33 1HG PRO 33 11.432 7.304 3.231 235 HG3 PRO 33 2HG PRO 33 11.406 8.399 1.813 236 HD2 PRO 33 1HD PRO 33 9.652 8.700 3.865 237 HD3 PRO 33 2HD PRO 33 9.124 8.951 2.177 238 H GLU 34 H GLU 34 9.173 6.114 4.848 239 HA GLU 34 HA GLU 34 10.588 3.897 5.875 240 HB2 GLU 34 1HB GLU 34 8.377 5.803 6.751 241 HB3 GLU 34 2HB GLU 34 8.703 4.399 7.760 242 HG2 GLU 34 1HG GLU 34 10.938 6.283 6.945 243 HG3 GLU 34 2HG GLU 34 9.872 6.638 8.299 244 H TYR 35 H TYR 35 7.224 4.302 4.760 245 HA TYR 35 HA TYR 35 6.554 1.524 5.537 246 HB2 TYR 35 1HB TYR 35 4.752 3.865 4.772 247 HB3 TYR 35 2HB TYR 35 4.243 2.299 5.410 248 HD1 TYR 35 2HD TYR 35 4.700 1.627 7.730 249 HD2 TYR 35 1HD TYR 35 5.616 5.604 6.276 250 HE1 TYR 35 2HE TYR 35 5.308 2.345 10.024 251 HE2 TYR 35 1HE TYR 35 6.212 6.289 8.558 252 HH TYR 35 HH TYR 35 6.691 5.568 10.715 253 H ASN 36 H ASN 36 7.923 2.667 2.927 254 HA ASN 36 HA ASN 36 5.954 2.004 0.807 255 HB2 ASN 36 1HB ASN 36 7.080 4.094 0.525 256 HB3 ASN 36 2HB ASN 36 8.673 3.343 0.770 257 HD21 ASN 36 1HD2 ASN 36 8.444 4.909 -1.350 258 HD22 ASN 36 2HD2 ASN 36 8.354 3.982 -2.829 259 H ILE 37 H ILE 37 5.839 -0.110 0.344 260 HA ILE 37 HA ILE 37 8.137 -1.886 0.536 261 HB ILE 37 HB ILE 37 5.325 -2.553 -0.366 262 HG12 ILE 37 1HG1 ILE 37 5.742 -3.632 2.216 263 HG13 ILE 37 2HG1 ILE 37 6.474 -2.053 2.344 264 HG21 ILE 37 1HG2 ILE 37 6.947 -4.281 -0.987 265 HG22 ILE 37 2HG2 ILE 37 7.591 -4.316 0.668 266 HG23 ILE 37 3HG2 ILE 37 5.925 -4.838 0.315 267 HD11 ILE 37 3HD1 ILE 37 4.481 -1.219 2.656 268 HD12 ILE 37 1HD1 ILE 37 3.930 -1.705 1.035 269 HD13 ILE 37 2HD1 ILE 37 3.719 -2.800 2.408 270 H LYS 38 H LYS 38 9.169 -0.416 -1.037 271 HA LYS 38 HA LYS 38 8.609 -0.190 -3.765 272 HB2 LYS 38 1HB LYS 38 11.261 -0.555 -2.308 273 HB3 LYS 38 2HB LYS 38 11.161 -0.057 -4.003 274 HG2 LYS 38 1HG LYS 38 9.991 2.028 -3.273 275 HG3 LYS 38 2HG LYS 38 10.176 1.463 -1.584 276 HD2 LYS 38 1HD LYS 38 12.727 1.231 -2.098 277 HD3 LYS 38 2HD LYS 38 12.386 2.065 -3.602 278 HE2 LYS 38 1HE LYS 38 12.738 3.932 -2.600 279 HE3 LYS 38 2HE LYS 38 11.153 3.732 -1.809 280 HZ1 LYS 38 3HZ LYS 38 12.467 2.790 0.117 281 HZ2 LYS 38 1HZ LYS 38 13.017 4.279 -0.258 282 HZ3 LYS 38 2HZ LYS 38 13.855 3.010 -0.742 283 H GLN 39 H GLN 39 9.732 -3.038 -2.063 284 HA GLN 39 HA GLN 39 10.458 -4.656 -4.396 285 HB2 GLN 39 1HB GLN 39 9.932 -5.114 -1.422 286 HB3 GLN 39 2HB GLN 39 10.281 -6.413 -2.543 287 HG2 GLN 39 1HG GLN 39 12.487 -5.474 -3.045 288 HG3 GLN 39 2HG GLN 39 12.130 -4.022 -2.099 289 HE21 GLN 39 1HE2 GLN 39 11.514 -4.456 0.330 290 HE22 GLN 39 2HE2 GLN 39 12.470 -5.739 1.090 291 H TRP 40 H TRP 40 8.423 -4.325 -5.733 292 HA TRP 40 HA TRP 40 6.073 -5.726 -4.495 293 HB2 TRP 40 1HB TRP 40 4.772 -4.572 -6.253 294 HB3 TRP 40 2HB TRP 40 5.463 -3.542 -5.024 295 HD1 TRP 40 HD TRP 40 7.208 -1.713 -5.860 296 HE1 TRP 40 1HE TRP 40 7.785 -0.781 -8.224 297 HE3 TRP 40 3HE TRP 40 5.207 -5.397 -8.733 298 HZ2 TRP 40 2HZ TRP 40 7.343 -1.503 -10.935 299 HZ3 TRP 40 3HZ TRP 40 5.387 -5.286 -11.272 300 HH2 TRP 40 HH TRP 40 6.439 -3.305 -12.332 301 H GLN 41 H GLN 41 8.314 -5.844 -7.182 302 HA GLN 41 HA GLN 41 6.788 -7.140 -9.107 303 HB2 GLN 41 1HB GLN 41 9.782 -7.431 -8.595 304 HB3 GLN 41 2HB GLN 41 8.949 -7.762 -10.115 305 HG2 GLN 41 1HG GLN 41 8.394 -5.421 -10.410 306 HG3 GLN 41 2HG GLN 41 9.016 -4.997 -8.818 307 HE21 GLN 41 1HE2 GLN 41 11.227 -4.561 -8.590 308 HE22 GLN 41 2HE2 GLN 41 12.364 -4.687 -9.895 309 H GLN 42 H GLN 42 8.636 -8.613 -6.425 310 HA GLN 42 HA GLN 42 7.509 -11.281 -7.136 311 HB2 GLN 42 1HB GLN 42 10.275 -10.374 -6.353 312 HB3 GLN 42 2HB GLN 42 9.721 -11.940 -5.825 313 HG2 GLN 42 1HG GLN 42 9.039 -12.165 -8.381 314 HG3 GLN 42 2HG GLN 42 10.286 -10.922 -8.565 315 HE21 GLN 42 1HE2 GLN 42 9.691 -14.372 -7.951 316 HE22 GLN 42 2HE2 GLN 42 11.385 -14.739 -7.698 317 H ARG 43 H ARG 43 5.988 -9.503 -5.747 318 HA ARG 43 HA ARG 43 6.005 -10.735 -3.035 319 HB2 ARG 43 1HB ARG 43 5.497 -7.829 -3.678 320 HB3 ARG 43 2HB ARG 43 5.000 -8.635 -2.193 321 HG2 ARG 43 1HG ARG 43 7.590 -9.477 -2.221 322 HG3 ARG 43 2HG ARG 43 7.779 -7.966 -3.113 323 HD2 ARG 43 1HD ARG 43 6.616 -6.740 -1.293 324 HD3 ARG 43 2HD ARG 43 6.232 -8.264 -0.503 325 HE ARG 43 HE ARG 43 9.048 -8.063 -0.732 326 HH11 ARG 43 1HH1 ARG 43 6.246 -6.896 1.055 327 HH12 ARG 43 2HH1 ARG 43 7.016 -6.968 2.610 328 HH21 ARG 43 1HH2 ARG 43 10.133 -7.972 1.189 329 HH22 ARG 43 2HH2 ARG 43 9.489 -7.194 2.609 330 H ASN 44 H ASN 44 4.680 -11.613 -5.480 331 HA ASN 44 HA ASN 44 2.704 -12.272 -6.271 332 HB2 ASN 44 1HB ASN 44 1.736 -12.194 -3.395 333 HB3 ASN 44 2HB ASN 44 1.027 -13.108 -4.707 334 HD21 ASN 44 1HD2 ASN 44 2.648 -14.775 -5.798 335 HD22 ASN 44 2HD2 ASN 44 3.403 -15.769 -4.565 336 H LEU 45 H LEU 45 3.104 -9.268 -6.144 337 HA LEU 45 HA LEU 45 0.230 -8.459 -6.093 338 HB2 LEU 45 1HB LEU 45 2.653 -7.053 -4.906 339 HB3 LEU 45 2HB LEU 45 1.187 -6.175 -5.334 340 HG LEU 45 HG LEU 45 0.978 -8.622 -3.542 341 HD11 LEU 45 1HD1 LEU 45 1.487 -5.756 -2.674 342 HD12 LEU 45 2HD1 LEU 45 2.594 -7.145 -2.470 343 HD13 LEU 45 3HD1 LEU 45 1.057 -7.095 -1.596 344 HD21 LEU 45 3HD2 LEU 45 -1.035 -7.390 -2.765 345 HD22 LEU 45 1HD2 LEU 45 -1.123 -7.768 -4.482 346 HD23 LEU 45 2HD2 LEU 45 -0.725 -6.116 -3.951 347 HA PRO 46 HA PRO 46 1.092 -6.782 -10.059 348 HB2 PRO 46 1HB PRO 46 -0.733 -4.757 -10.296 349 HB3 PRO 46 2HB PRO 46 -1.188 -6.477 -10.291 350 HG2 PRO 46 1HG PRO 46 -1.258 -4.466 -8.080 351 HG3 PRO 46 2HG PRO 46 -2.483 -5.698 -8.457 352 HD2 PRO 46 1HD PRO 46 -0.596 -5.909 -6.470 353 HD3 PRO 46 2HD PRO 46 -1.298 -7.324 -7.292 354 H ALA 47 H ALA 47 1.496 -4.668 -11.250 355 HA ALA 47 HA ALA 47 3.570 -3.134 -10.000 356 HB1 ALA 47 1HB ALA 47 3.533 -3.675 -12.421 357 HB2 ALA 47 2HB ALA 47 2.032 -2.739 -12.610 358 HB3 ALA 47 3HB ALA 47 3.542 -1.919 -12.178 359 HA PRO 48 HA PRO 48 1.046 0.278 -8.431 360 HB2 PRO 48 1HB PRO 48 2.904 2.294 -8.428 361 HB3 PRO 48 2HB PRO 48 3.013 0.902 -7.309 362 HG2 PRO 48 1HG PRO 48 4.422 1.307 -9.965 363 HG3 PRO 48 2HG PRO 48 5.146 0.820 -8.400 364 HD2 PRO 48 1HD PRO 48 4.459 -0.989 -10.305 365 HD3 PRO 48 2HD PRO 48 4.267 -1.360 -8.566 366 H ASP 49 H ASP 49 0.328 2.536 -9.127 367 HA ASP 49 HA ASP 49 0.043 2.888 -12.034 368 HB2 ASP 49 1HB ASP 49 -1.021 4.234 -9.607 369 HB3 ASP 49 2HB ASP 49 -0.684 5.300 -10.894 370 H ALA 50 H ALA 50 0.694 5.050 -12.849 371 HA ALA 50 HA ALA 50 3.512 5.286 -12.813 372 HB1 ALA 50 1HB ALA 50 1.287 6.958 -14.009 373 HB2 ALA 50 2HB ALA 50 2.997 6.900 -14.557 374 HB3 ALA 50 3HB ALA 50 1.952 5.470 -14.737 375 H GLY 51 H GLY 51 3.114 5.923 -10.258 376 HA2 GLY 51 2HA GLY 51 4.512 8.043 -9.508 377 HA3 GLY 51 1HA GLY 51 2.955 8.844 -9.800 378 H SER 52 H SER 52 3.795 5.562 -8.385 379 HA SER 52 HA SER 52 2.537 6.280 -5.866 380 HB2 SER 52 1HB SER 52 0.654 4.687 -6.136 381 HB3 SER 52 2HB SER 52 0.576 5.969 -7.353 382 HG SER 52 HG SER 52 1.801 4.334 -8.699 383 H HIS 53 H HIS 53 2.302 4.317 -4.449 384 HA HIS 53 HA HIS 53 3.984 2.049 -5.092 385 HB2 HIS 53 1HB HIS 53 5.612 2.452 -3.306 386 HB3 HIS 53 2HB HIS 53 5.642 3.677 -4.534 387 HD1 HIS 53 1HD HIS 53 5.237 6.175 -3.680 388 HD2 HIS 53 2HD HIS 53 4.498 3.125 -0.832 389 HE1 HIS 53 1HE HIS 53 4.729 7.314 -1.475 390 H TRP 54 H TRP 54 3.952 0.476 -3.379 391 HA TRP 54 HA TRP 54 1.345 0.383 -2.066 392 HB2 TRP 54 1HB TRP 54 3.589 -1.627 -2.503 393 HB3 TRP 54 2HB TRP 54 2.097 -1.974 -1.643 394 HD1 TRP 54 HD TRP 54 3.413 -1.396 -5.215 395 HE1 TRP 54 1HE TRP 54 1.635 -2.333 -6.884 396 HE3 TRP 54 3HE TRP 54 -0.492 -2.050 -2.002 397 HZ2 TRP 54 2HZ TRP 54 -1.147 -2.852 -6.861 398 HZ3 TRP 54 3HZ TRP 54 -2.752 -2.657 -2.865 399 HH2 TRP 54 HH TRP 54 -3.090 -3.028 -5.301 400 H THR 55 H THR 55 1.123 0.370 0.144 401 HA THR 55 HA THR 55 3.545 0.541 1.797 402 HB THR 55 HB THR 55 3.025 2.811 1.774 403 HG1 THR 55 1HG THR 55 3.214 2.598 3.814 404 HG21 THR 55 3HG2 THR 55 0.099 2.035 2.179 405 HG22 THR 55 1HG2 THR 55 0.803 2.751 0.716 406 HG23 THR 55 2HG2 THR 55 0.709 3.695 2.228 407 H TYR 56 H TYR 56 3.112 0.064 4.010 408 HA TYR 56 HA TYR 56 1.242 -2.221 4.182 409 HB2 TYR 56 1HB TYR 56 3.775 -2.424 4.678 410 HB3 TYR 56 2HB TYR 56 3.402 -1.665 6.212 411 HD1 TYR 56 2HD TYR 56 1.946 -4.357 3.983 412 HD2 TYR 56 1HD TYR 56 3.029 -3.184 7.982 413 HE1 TYR 56 2HE TYR 56 1.398 -6.635 4.802 414 HE2 TYR 56 1HE TYR 56 2.405 -5.405 8.804 415 HH TYR 56 HH TYR 56 1.452 -7.454 8.258 416 H MET 57 H MET 57 -0.675 -1.725 4.981 417 HA MET 57 HA MET 57 -0.907 0.293 7.143 418 HB2 MET 57 1HB MET 57 -2.058 0.234 4.414 419 HB3 MET 57 2HB MET 57 -3.250 0.534 5.665 420 HG2 MET 57 1HG MET 57 -0.676 2.135 5.518 421 HG3 MET 57 2HG MET 57 -2.145 2.536 4.624 422 HE1 MET 57 3HE MET 57 -1.766 1.400 8.625 423 HE2 MET 57 1HE MET 57 -0.437 2.482 8.132 424 HE3 MET 57 2HE MET 57 -1.717 3.047 9.224 425 H GLY 58 H GLY 58 -1.600 -0.728 8.890 426 HA2 GLY 58 2HA GLY 58 -3.048 -1.867 10.277 427 HA3 GLY 58 1HA GLY 58 -4.135 -2.151 8.913 428 H GLY 59 H GLY 59 -1.005 -3.219 7.959 429 HA2 GLY 59 2HA GLY 59 -0.200 -5.512 8.243 430 HA3 GLY 59 1HA GLY 59 -1.863 -6.029 8.491 431 H ASN 60 H ASN 60 -2.474 -3.858 6.202 432 HA ASN 60 HA ASN 60 -2.495 -5.926 4.085 433 HB2 ASN 60 1HB ASN 60 -3.676 -3.175 4.227 434 HB3 ASN 60 2HB ASN 60 -4.184 -4.410 3.101 435 HD21 ASN 60 1HD2 ASN 60 -4.576 -3.167 6.309 436 HD22 ASN 60 2HD2 ASN 60 -5.809 -4.309 6.861 437 H TYR 61 H TYR 61 -2.072 -5.164 1.868 438 HA TYR 61 HA TYR 61 0.108 -3.153 1.625 439 HB2 TYR 61 1HB TYR 61 -0.757 -5.468 -0.150 440 HB3 TYR 61 2HB TYR 61 0.486 -4.289 -0.576 441 HD1 TYR 61 2HD TYR 61 2.554 -4.085 0.829 442 HD2 TYR 61 1HD TYR 61 -0.264 -7.303 1.334 443 HE1 TYR 61 2HE TYR 61 4.216 -5.326 2.203 444 HE2 TYR 61 1HE TYR 61 1.448 -8.619 2.549 445 HH TYR 61 HH TYR 61 3.608 -8.597 3.503 446 H VAL 62 H VAL 62 -0.798 -1.156 1.124 447 HA VAL 62 HA VAL 62 -3.051 -1.148 -0.845 448 HB VAL 62 HB VAL 62 -4.110 0.583 0.280 449 HG11 VAL 62 1HG1 VAL 62 -3.289 -1.134 2.597 450 HG12 VAL 62 2HG1 VAL 62 -4.822 -0.323 2.231 451 HG13 VAL 62 3HG1 VAL 62 -4.302 -1.716 1.267 452 HG21 VAL 62 3HG2 VAL 62 -3.276 1.687 2.335 453 HG22 VAL 62 1HG2 VAL 62 -1.751 0.776 2.187 454 HG23 VAL 62 2HG2 VAL 62 -2.196 1.985 0.972 455 H LEU 63 H LEU 63 -2.960 0.256 -2.510 456 HA LEU 63 HA LEU 63 -0.252 1.257 -3.208 457 HB2 LEU 63 1HB LEU 63 -1.458 -0.196 -4.774 458 HB3 LEU 63 2HB LEU 63 -2.790 0.934 -4.842 459 HG LEU 63 HG LEU 63 -1.350 2.610 -5.932 460 HD11 LEU 63 1HD1 LEU 63 0.801 2.346 -5.055 461 HD12 LEU 63 2HD1 LEU 63 0.939 1.938 -6.734 462 HD13 LEU 63 3HD1 LEU 63 0.914 0.638 -5.520 463 HD21 LEU 63 3HD2 LEU 63 -2.600 0.797 -7.190 464 HD22 LEU 63 1HD2 LEU 63 -1.148 -0.188 -7.188 465 HD23 LEU 63 2HD2 LEU 63 -1.174 1.367 -8.064 466 H ILE 64 H ILE 64 0.187 3.376 -2.714 467 HA ILE 64 HA ILE 64 -2.034 5.347 -2.822 468 HB ILE 64 HB ILE 64 -1.017 6.531 -0.980 469 HG12 ILE 64 1HG1 ILE 64 0.740 4.872 0.314 470 HG13 ILE 64 2HG1 ILE 64 1.262 4.663 -1.357 471 HG21 ILE 64 1HG2 ILE 64 -2.704 4.790 -0.517 472 HG22 ILE 64 2HG2 ILE 64 -1.397 3.574 -0.347 473 HG23 ILE 64 3HG2 ILE 64 -1.514 4.899 0.799 474 HD11 ILE 64 3HD1 ILE 64 1.560 7.097 -1.528 475 HD12 ILE 64 1HD1 ILE 64 0.857 7.275 0.109 476 HD13 ILE 64 2HD1 ILE 64 2.398 6.465 -0.082 477 H THR 65 H THR 65 -1.598 7.332 -3.781 478 HA THR 65 HA THR 65 0.541 7.346 -5.717 479 HB THR 65 HB THR 65 -0.661 9.870 -5.684 480 HG1 THR 65 1HG THR 65 -2.932 8.591 -5.746 481 HG21 THR 65 3HG2 THR 65 -1.431 7.310 -7.138 482 HG22 THR 65 1HG2 THR 65 -0.298 8.572 -7.680 483 HG23 THR 65 2HG2 THR 65 -2.031 8.922 -7.585 484 H ASP 66 H ASP 66 2.394 8.484 -5.672 485 HA ASP 66 HA ASP 66 3.420 9.383 -3.125 486 HB2 ASP 66 1HB ASP 66 4.395 8.948 -5.895 487 HB3 ASP 66 2HB ASP 66 5.130 10.322 -5.130 488 H THR 67 H THR 67 1.188 10.936 -4.939 489 HA THR 67 HA THR 67 2.135 13.657 -4.308 490 HB THR 67 HB THR 67 2.928 12.824 -6.517 491 HG1 THR 67 1HG THR 67 2.836 14.968 -6.232 492 HG21 THR 67 3HG2 THR 67 0.831 11.564 -7.154 493 HG22 THR 67 1HG2 THR 67 1.496 12.627 -8.402 494 HG23 THR 67 2HG2 THR 67 0.090 13.161 -7.474 495 H GLU 68 H GLU 68 -0.117 11.577 -3.576 496 HA GLU 68 HA GLU 68 -2.141 13.545 -3.083 497 HB2 GLU 68 1HB GLU 68 -2.733 12.972 -5.390 498 HB3 GLU 68 2HB GLU 68 -2.840 11.264 -4.990 499 HG2 GLU 68 1HG GLU 68 -4.846 11.513 -3.828 500 HG3 GLU 68 2HG GLU 68 -4.543 13.212 -3.448 501 H GLY 69 H GLY 69 -1.186 10.085 -3.222 502 HA2 GLY 69 2HA GLY 69 -1.094 8.569 -1.533 503 HA3 GLY 69 1HA GLY 69 -1.800 9.738 -0.415 504 H LYS 70 H LYS 70 -3.447 9.219 -3.462 505 HA LYS 70 HA LYS 70 -5.855 8.489 -2.062 506 HB2 LYS 70 1HB LYS 70 -5.250 9.360 -4.755 507 HB3 LYS 70 2HB LYS 70 -6.108 7.833 -4.851 508 HG2 LYS 70 1HG LYS 70 -7.571 9.287 -2.924 509 HG3 LYS 70 2HG LYS 70 -7.117 10.493 -4.096 510 HD2 LYS 70 1HD LYS 70 -8.617 7.881 -4.568 511 HD3 LYS 70 2HD LYS 70 -9.321 9.495 -4.520 512 HE2 LYS 70 1HE LYS 70 -7.391 8.436 -6.628 513 HE3 LYS 70 2HE LYS 70 -9.130 8.661 -6.821 514 HZ1 LYS 70 3HZ LYS 70 -7.820 10.500 -7.729 515 HZ2 LYS 70 1HZ LYS 70 -7.179 10.841 -6.295 516 HZ3 LYS 70 2HZ LYS 70 -8.786 11.064 -6.519 517 H ILE 71 H ILE 71 -6.856 6.617 -1.861 518 HA ILE 71 HA ILE 71 -5.132 4.358 -1.727 519 HB ILE 71 HB ILE 71 -8.047 4.695 -0.979 520 HG12 ILE 71 1HG1 ILE 71 -5.514 4.833 0.718 521 HG13 ILE 71 2HG1 ILE 71 -6.442 6.229 0.207 522 HG21 ILE 71 1HG2 ILE 71 -6.952 2.207 -1.227 523 HG22 ILE 71 2HG2 ILE 71 -6.342 2.609 0.385 524 HG23 ILE 71 3HG2 ILE 71 -8.090 2.610 0.046 525 HD11 ILE 71 3HD1 ILE 71 -8.408 4.786 1.414 526 HD12 ILE 71 1HD1 ILE 71 -6.985 4.342 2.377 527 HD13 ILE 71 2HD1 ILE 71 -7.419 6.056 2.179 528 H LEU 72 H LEU 72 -4.716 4.057 -3.954 529 HA LEU 72 HA LEU 72 -6.735 3.874 -5.904 530 HB2 LEU 72 1HB LEU 72 -3.974 2.587 -6.004 531 HB3 LEU 72 2HB LEU 72 -5.024 2.924 -7.370 532 HG LEU 72 HG LEU 72 -3.489 4.890 -5.652 533 HD11 LEU 72 1HD1 LEU 72 -2.470 5.494 -7.808 534 HD12 LEU 72 2HD1 LEU 72 -3.559 4.362 -8.653 535 HD13 LEU 72 3HD1 LEU 72 -2.322 3.768 -7.537 536 HD21 LEU 72 3HD2 LEU 72 -5.676 5.919 -5.947 537 HD22 LEU 72 1HD2 LEU 72 -5.698 5.515 -7.664 538 HD23 LEU 72 2HD2 LEU 72 -4.529 6.713 -7.030 539 H LYS 73 H LYS 73 -5.037 1.287 -4.113 540 HA LYS 73 HA LYS 73 -7.217 -0.583 -4.537 541 HB2 LYS 73 1HB LYS 73 -4.405 -1.037 -5.632 542 HB3 LYS 73 2HB LYS 73 -5.437 -2.391 -5.160 543 HG2 LYS 73 1HG LYS 73 -7.158 -1.745 -6.774 544 HG3 LYS 73 2HG LYS 73 -6.241 -0.296 -7.203 545 HD2 LYS 73 1HD LYS 73 -5.794 -1.832 -8.875 546 HD3 LYS 73 2HD LYS 73 -4.332 -1.687 -7.920 547 HE2 LYS 73 1HE LYS 73 -4.557 -3.978 -8.445 548 HE3 LYS 73 2HE LYS 73 -5.030 -3.799 -6.745 549 HZ1 LYS 73 3HZ LYS 73 -6.538 -5.215 -8.213 550 HZ2 LYS 73 1HZ LYS 73 -6.931 -3.859 -9.025 551 HZ3 LYS 73 2HZ LYS 73 -7.355 -4.010 -7.436 552 H VAL 74 H VAL 74 -6.814 -2.559 -3.158 553 HA VAL 74 HA VAL 74 -4.967 -2.185 -0.891 554 HB VAL 74 HB VAL 74 -7.987 -2.602 -0.707 555 HG11 VAL 74 1HG1 VAL 74 -7.816 -2.895 1.561 556 HG12 VAL 74 2HG1 VAL 74 -6.145 -3.419 1.190 557 HG13 VAL 74 3HG1 VAL 74 -6.494 -1.788 1.743 558 HG21 VAL 74 3HG2 VAL 74 -8.119 -0.397 0.397 559 HG22 VAL 74 1HG2 VAL 74 -6.383 -0.139 0.095 560 HG23 VAL 74 2HG2 VAL 74 -7.518 -0.217 -1.249 561 H TYR 75 H TYR 75 -4.182 -4.273 -0.282 562 HA TYR 75 HA TYR 75 -5.655 -6.674 -1.118 563 HB2 TYR 75 1HB TYR 75 -2.742 -6.058 -1.663 564 HB3 TYR 75 2HB TYR 75 -3.342 -7.697 -1.487 565 HD1 TYR 75 1HD TYR 75 -5.101 -8.603 -3.088 566 HD2 TYR 75 2HD TYR 75 -2.951 -4.963 -3.743 567 HE1 TYR 75 1HE TYR 75 -5.693 -8.716 -5.448 568 HE2 TYR 75 2HE TYR 75 -3.535 -5.037 -6.159 569 HH TYR 75 HH TYR 75 -5.581 -7.625 -7.564 570 H ASP 76 H ASP 76 -5.441 -8.301 0.567 571 HA ASP 76 HA ASP 76 -4.717 -7.372 3.167 572 HB2 ASP 76 1HB ASP 76 -6.439 -9.062 2.414 573 HB3 ASP 76 2HB ASP 76 -5.119 -10.187 2.099 574 H GLY 77 H GLY 77 -3.159 -8.522 4.602 575 HA2 GLY 77 2HA GLY 77 -0.437 -8.558 3.541 576 HA3 GLY 77 1HA GLY 77 -0.958 -8.999 5.174 577 H GLU 78 H GLU 78 -2.949 -10.970 4.164 578 HA GLU 78 HA GLU 78 -1.407 -13.315 4.163 579 HB2 GLU 78 1HB GLU 78 -4.260 -12.841 3.221 580 HB3 GLU 78 2HB GLU 78 -3.502 -14.438 3.332 581 HG2 GLU 78 1HG GLU 78 -2.916 -13.776 5.782 582 HG3 GLU 78 2HG GLU 78 -4.105 -12.494 5.584 583 H ILE 79 H ILE 79 -1.990 -11.161 1.423 584 HA ILE 79 HA ILE 79 -1.765 -13.079 -0.650 585 HB ILE 79 HB ILE 79 -2.563 -10.690 -0.809 586 HG12 ILE 79 1HG1 ILE 79 -0.342 -11.183 -2.799 587 HG13 ILE 79 2HG1 ILE 79 -1.710 -12.280 -2.747 588 HG21 ILE 79 1HG2 ILE 79 -0.435 -9.742 0.417 589 HG22 ILE 79 2HG2 ILE 79 0.357 -9.860 -1.148 590 HG23 ILE 79 3HG2 ILE 79 -1.086 -8.841 -0.953 591 HD11 ILE 79 3HD1 ILE 79 -2.296 -9.331 -2.932 592 HD12 ILE 79 1HD1 ILE 79 -1.753 -10.221 -4.361 593 HD13 ILE 79 2HD1 ILE 79 -3.218 -10.729 -3.523 594 H PHE 80 H PHE 80 0.609 -11.589 1.466 595 HA PHE 80 HA PHE 80 2.850 -11.834 -0.274 596 HB2 PHE 80 1HB PHE 80 2.645 -10.288 1.675 597 HB3 PHE 80 2HB PHE 80 2.687 -11.663 2.766 598 HD1 PHE 80 2HD PHE 80 4.721 -10.265 -0.099 599 HD2 PHE 80 1HD PHE 80 4.732 -12.268 3.716 600 HE1 PHE 80 2HE PHE 80 7.213 -10.338 -0.120 601 HE2 PHE 80 1HE PHE 80 7.202 -12.291 3.696 602 HZ PHE 80 HZ PHE 80 8.449 -11.297 1.796 603 H TYR 81 H TYR 81 1.091 -14.272 1.358 604 HA TYR 81 HA TYR 81 3.419 -16.107 1.519 605 HB2 TYR 81 1HB TYR 81 0.618 -16.367 2.647 606 HB3 TYR 81 2HB TYR 81 1.978 -17.456 2.944 607 HD1 TYR 81 1HD TYR 81 3.928 -16.707 4.320 608 HD2 TYR 81 2HD TYR 81 0.519 -14.154 3.667 609 HE1 TYR 81 1HE TYR 81 4.695 -15.195 6.142 610 HE2 TYR 81 2HE TYR 81 1.276 -12.638 5.449 611 HH TYR 81 HH TYR 81 2.883 -13.281 7.722 612 H HIS 82 H HIS 82 0.974 -15.285 -0.622 613 HA HIS 82 HA HIS 82 -0.011 -17.694 -1.692 614 HB2 HIS 82 1HB HIS 82 -0.819 -15.326 -2.057 615 HB3 HIS 82 2HB HIS 82 0.598 -15.043 -3.049 616 HD1 HIS 82 1HD HIS 82 -2.621 -17.170 -3.112 617 HD2 HIS 82 2HD HIS 82 0.299 -15.426 -5.548 618 HE1 HIS 82 1HE HIS 82 -3.261 -17.744 -5.553 619 H ARG 83 H ARG 83 0.709 -18.100 -4.273 620 HA ARG 83 HA ARG 83 3.570 -18.585 -4.279 621 HB2 ARG 83 1HB ARG 83 1.510 -20.800 -4.609 622 HB3 ARG 83 2HB ARG 83 3.248 -20.943 -4.904 623 HG2 ARG 83 1HG ARG 83 3.496 -20.106 -2.426 624 HG3 ARG 83 2HG ARG 83 1.797 -20.560 -2.263 625 HD2 ARG 83 1HD ARG 83 3.259 -22.754 -3.486 626 HD3 ARG 83 2HD ARG 83 4.179 -22.139 -2.107 627 HE ARG 83 HE ARG 83 1.423 -22.552 -1.415 628 HH11 ARG 83 1HH1 ARG 83 4.465 -24.350 -1.955 629 HH12 ARG 83 2HH1 ARG 83 4.034 -25.633 -0.868 630 HH21 ARG 83 1HH2 ARG 83 0.861 -24.284 -0.081 631 HH22 ARG 83 2HH2 ARG 83 1.878 -25.671 0.139 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -14.965 -17.980 -11.224 2 HA2 GLY 1 2HA GLY 1 -12.944 -16.689 -11.475 3 HA3 GLY 1 1HA GLY 1 -14.168 -15.694 -10.645 4 H ALA 2 H ALA 2 -11.985 -14.665 -10.068 5 HA ALA 2 HA ALA 2 -10.401 -14.110 -8.660 6 HB1 ALA 2 1HB ALA 2 -12.542 -14.827 -6.658 7 HB2 ALA 2 2HB ALA 2 -11.240 -13.651 -6.423 8 HB3 ALA 2 3HB ALA 2 -12.491 -13.346 -7.633 9 H ALA 3 H ALA 3 -9.883 -16.833 -9.376 10 HA ALA 3 HA ALA 3 -9.016 -18.211 -6.941 11 HB1 ALA 3 1HB ALA 3 -8.782 -18.948 -9.883 12 HB2 ALA 3 2HB ALA 3 -8.386 -19.979 -8.488 13 HB3 ALA 3 3HB ALA 3 -10.055 -19.471 -8.731 14 H GLY 4 H GLY 4 -7.695 -15.951 -6.797 15 HA2 GLY 4 2HA GLY 4 -4.943 -16.493 -6.743 16 HA3 GLY 4 1HA GLY 4 -5.272 -15.509 -8.195 17 H ILE 5 H ILE 5 -4.243 -13.697 -7.299 18 HA ILE 5 HA ILE 5 -4.473 -12.782 -4.693 19 HB ILE 5 HB ILE 5 -3.681 -10.667 -5.559 20 HG12 ILE 5 1HG1 ILE 5 -3.809 -11.570 -8.447 21 HG13 ILE 5 2HG1 ILE 5 -5.121 -10.637 -7.718 22 HG21 ILE 5 1HG2 ILE 5 -1.580 -11.458 -6.534 23 HG22 ILE 5 2HG2 ILE 5 -2.142 -12.648 -5.353 24 HG23 ILE 5 3HG2 ILE 5 -2.349 -12.946 -7.091 25 HD11 ILE 5 3HD1 ILE 5 -3.581 -8.868 -7.037 26 HD12 ILE 5 1HD1 ILE 5 -2.231 -9.735 -7.779 27 HD13 ILE 5 2HD1 ILE 5 -3.551 -9.118 -8.794 28 H ASP 6 H ASP 6 -6.777 -12.404 -7.216 29 HA ASP 6 HA ASP 6 -8.274 -10.155 -6.452 30 HB2 ASP 6 1HB ASP 6 -8.246 -11.517 -8.567 31 HB3 ASP 6 2HB ASP 6 -9.091 -12.777 -7.698 32 H GLN 7 H GLN 7 -8.009 -13.286 -4.898 33 HA GLN 7 HA GLN 7 -10.454 -13.217 -3.384 34 HB2 GLN 7 1HB GLN 7 -9.539 -15.006 -2.139 35 HB3 GLN 7 2HB GLN 7 -8.974 -15.213 -3.795 36 HG2 GLN 7 1HG GLN 7 -6.782 -14.094 -3.033 37 HG3 GLN 7 2HG GLN 7 -7.353 -14.284 -1.400 38 HE21 GLN 7 1HE2 GLN 7 -6.178 -15.862 -4.208 39 HE22 GLN 7 2HE2 GLN 7 -5.889 -17.464 -3.554 40 H TYR 8 H TYR 8 -7.257 -11.693 -2.923 41 HA TYR 8 HA TYR 8 -7.941 -10.812 -0.190 42 HB2 TYR 8 1HB TYR 8 -5.399 -10.404 -1.802 43 HB3 TYR 8 2HB TYR 8 -5.616 -10.107 -0.093 44 HD1 TYR 8 1HD TYR 8 -6.370 -12.202 1.358 45 HD2 TYR 8 2HD TYR 8 -4.429 -12.409 -2.496 46 HE1 TYR 8 1HE TYR 8 -5.663 -14.472 1.854 47 HE2 TYR 8 2HE TYR 8 -3.716 -14.743 -2.000 48 HH TYR 8 HH TYR 8 -4.844 -16.412 0.952 49 H ALA 9 H ALA 9 -8.760 -9.696 -3.183 50 HA ALA 9 HA ALA 9 -7.852 -6.931 -3.022 51 HB1 ALA 9 1HB ALA 9 -9.261 -6.610 -5.001 52 HB2 ALA 9 2HB ALA 9 -8.221 -8.029 -5.218 53 HB3 ALA 9 3HB ALA 9 -9.937 -8.245 -4.823 54 H LEU 10 H LEU 10 -8.562 -6.146 -1.093 55 HA LEU 10 HA LEU 10 -11.344 -6.381 -0.208 56 HB2 LEU 10 1HB LEU 10 -9.007 -4.657 0.753 57 HB3 LEU 10 2HB LEU 10 -10.594 -4.687 1.505 58 HG LEU 10 HG LEU 10 -8.631 -7.007 1.388 59 HD11 LEU 10 1HD1 LEU 10 -8.623 -6.680 3.838 60 HD12 LEU 10 2HD1 LEU 10 -9.660 -5.253 3.668 61 HD13 LEU 10 3HD1 LEU 10 -8.026 -5.237 2.965 62 HD21 LEU 10 3HD2 LEU 10 -11.306 -6.892 2.843 63 HD22 LEU 10 1HD2 LEU 10 -10.146 -8.233 2.852 64 HD23 LEU 10 2HD2 LEU 10 -11.004 -7.834 1.364 65 H LYS 11 H LYS 11 -12.710 -4.468 0.005 66 HA LYS 11 HA LYS 11 -12.058 -2.390 -2.009 67 HB2 LYS 11 1HB LYS 11 -14.708 -3.331 -0.838 68 HB3 LYS 11 2HB LYS 11 -14.563 -1.880 -1.836 69 HG2 LYS 11 1HG LYS 11 -13.717 -3.154 -3.725 70 HG3 LYS 11 2HG LYS 11 -13.650 -4.640 -2.778 71 HD2 LYS 11 1HD LYS 11 -16.258 -3.164 -3.192 72 HD3 LYS 11 2HD LYS 11 -15.628 -4.333 -4.381 73 HE2 LYS 11 1HE LYS 11 -15.385 -5.976 -2.429 74 HE3 LYS 11 2HE LYS 11 -16.343 -4.846 -1.466 75 HZ1 LYS 11 3HZ LYS 11 -17.678 -6.572 -2.428 76 HZ2 LYS 11 1HZ LYS 11 -17.201 -6.234 -3.927 77 HZ3 LYS 11 2HZ LYS 11 -18.127 -5.129 -3.113 78 H GLU 12 H GLU 12 -12.189 -3.024 1.364 79 HA GLU 12 HA GLU 12 -11.749 -0.274 2.097 80 HB2 GLU 12 1HB GLU 12 -13.664 -0.215 3.647 81 HB3 GLU 12 2HB GLU 12 -14.189 -0.344 1.982 82 HG2 GLU 12 1HG GLU 12 -14.329 -2.922 2.461 83 HG3 GLU 12 2HG GLU 12 -14.246 -2.465 4.160 84 H PHE 13 H PHE 13 -11.267 -0.179 4.438 85 HA PHE 13 HA PHE 13 -11.173 -2.466 6.048 86 HB2 PHE 13 1HB PHE 13 -8.857 -2.748 6.519 87 HB3 PHE 13 2HB PHE 13 -9.045 -3.019 4.828 88 HD1 PHE 13 1HD PHE 13 -8.782 -0.447 3.475 89 HD2 PHE 13 2HD PHE 13 -6.810 -1.844 7.044 90 HE1 PHE 13 1HE PHE 13 -6.916 1.095 3.041 91 HE2 PHE 13 2HE PHE 13 -4.834 -0.392 6.494 92 HZ PHE 13 HZ PHE 13 -4.930 1.125 4.588 93 H THR 14 H THR 14 -9.938 -1.814 8.179 94 HA THR 14 HA THR 14 -10.018 1.119 8.596 95 HB THR 14 HB THR 14 -10.372 -0.846 10.861 96 HG1 THR 14 1HG THR 14 -12.455 -0.930 10.645 97 HG21 THR 14 3HG2 THR 14 -11.422 1.992 10.485 98 HG22 THR 14 1HG2 THR 14 -9.917 1.580 11.354 99 HG23 THR 14 2HG2 THR 14 -11.487 1.026 11.961 100 H ALA 15 H ALA 15 -8.148 1.900 9.584 101 HA ALA 15 HA ALA 15 -6.313 0.191 11.028 102 HB1 ALA 15 1HB ALA 15 -5.490 1.612 8.458 103 HB2 ALA 15 2HB ALA 15 -4.317 1.133 9.686 104 HB3 ALA 15 3HB ALA 15 -5.261 -0.100 8.835 105 H ASP 16 H ASP 16 -4.972 1.656 12.401 106 HA ASP 16 HA ASP 16 -4.720 3.522 13.691 107 HB2 ASP 16 1HB ASP 16 -4.394 4.241 10.948 108 HB3 ASP 16 2HB ASP 16 -5.444 5.484 11.595 109 H PHE 17 H PHE 17 -7.394 2.403 13.458 110 HA PHE 17 HA PHE 17 -9.574 2.692 13.898 111 HB2 PHE 17 1HB PHE 17 -9.042 5.289 15.310 112 HB3 PHE 17 2HB PHE 17 -10.232 4.056 15.671 113 HD1 PHE 17 2HD PHE 17 -9.493 1.883 16.777 114 HD2 PHE 17 1HD PHE 17 -6.824 5.218 16.168 115 HE1 PHE 17 2HE PHE 17 -7.839 0.853 18.331 116 HE2 PHE 17 1HE PHE 17 -5.268 4.252 17.867 117 HZ PHE 17 HZ PHE 17 -5.690 2.045 18.807 118 H THR 18 H THR 18 -8.392 4.045 11.487 119 HA THR 18 HA THR 18 -10.505 6.033 10.878 120 HB THR 18 HB THR 18 -7.755 5.609 9.635 121 HG1 THR 18 1HG THR 18 -7.808 6.485 11.796 122 HG21 THR 18 3HG2 THR 18 -8.160 7.678 8.455 123 HG22 THR 18 1HG2 THR 18 -9.736 7.898 9.268 124 HG23 THR 18 2HG2 THR 18 -9.484 6.580 8.105 125 H GLN 19 H GLN 19 -11.916 5.353 9.396 126 HA GLN 19 HA GLN 19 -11.722 2.730 8.102 127 HB2 GLN 19 1HB GLN 19 -13.748 3.512 9.203 128 HB3 GLN 19 2HB GLN 19 -13.809 4.966 8.196 129 HG2 GLN 19 1HG GLN 19 -14.582 3.836 6.354 130 HG3 GLN 19 2HG GLN 19 -13.775 2.320 6.788 131 HE21 GLN 19 1HE2 GLN 19 -14.902 0.830 7.691 132 HE22 GLN 19 2HE2 GLN 19 -16.489 0.914 8.352 133 H PHE 20 H PHE 20 -11.769 2.452 5.800 134 HA PHE 20 HA PHE 20 -11.169 4.774 4.033 135 HB2 PHE 20 1HB PHE 20 -9.291 2.426 4.485 136 HB3 PHE 20 2HB PHE 20 -9.120 3.670 3.269 137 HD1 PHE 20 1HD PHE 20 -8.792 6.151 4.085 138 HD2 PHE 20 2HD PHE 20 -8.345 2.677 6.605 139 HE1 PHE 20 1HE PHE 20 -7.194 7.404 5.520 140 HE2 PHE 20 2HE PHE 20 -6.795 3.957 8.076 141 HZ PHE 20 HZ PHE 20 -6.151 6.292 7.483 142 H HIS 21 H HIS 21 -11.306 4.293 1.837 143 HA HIS 21 HA HIS 21 -12.223 1.594 1.061 144 HB2 HIS 21 1HB HIS 21 -13.587 4.118 0.098 145 HB3 HIS 21 2HB HIS 21 -14.106 2.451 -0.089 146 HD1 HIS 21 1HD HIS 21 -13.871 5.190 2.621 147 HD2 HIS 21 2HD HIS 21 -15.603 1.406 1.868 148 HE1 HIS 21 1HE HIS 21 -15.452 4.697 4.572 149 H ILE 22 H ILE 22 -12.102 1.349 -1.340 150 HA ILE 22 HA ILE 22 -9.753 2.432 -2.564 151 HB ILE 22 HB ILE 22 -12.244 1.321 -3.918 152 HG12 ILE 22 1HG1 ILE 22 -11.361 -0.355 -2.419 153 HG13 ILE 22 2HG1 ILE 22 -11.085 -0.823 -4.082 154 HG21 ILE 22 1HG2 ILE 22 -10.646 0.770 -5.796 155 HG22 ILE 22 2HG2 ILE 22 -10.961 2.485 -5.561 156 HG23 ILE 22 3HG2 ILE 22 -9.435 1.786 -4.985 157 HD11 ILE 22 3HD1 ILE 22 -8.711 -0.149 -3.872 158 HD12 ILE 22 1HD1 ILE 22 -8.994 0.320 -2.178 159 HD13 ILE 22 2HD1 ILE 22 -9.164 -1.374 -2.671 160 H GLY 23 H GLY 23 -9.442 4.520 -2.912 161 HA2 GLY 23 2HA GLY 23 -9.841 6.377 -4.351 162 HA3 GLY 23 1HA GLY 23 -11.569 6.183 -4.192 163 H ASP 24 H ASP 24 -10.618 5.766 -1.045 164 HA ASP 24 HA ASP 24 -10.893 8.586 -0.282 165 HB2 ASP 24 1HB ASP 24 -10.266 6.084 1.336 166 HB3 ASP 24 2HB ASP 24 -10.476 7.690 2.010 167 H THR 25 H THR 25 -8.707 9.123 1.581 168 HA THR 25 HA THR 25 -6.286 8.585 0.001 169 HB THR 25 HB THR 25 -5.807 10.770 1.440 170 HG1 THR 25 1HG THR 25 -8.548 11.038 0.872 171 HG21 THR 25 3HG2 THR 25 -7.067 10.910 -1.325 172 HG22 THR 25 1HG2 THR 25 -5.328 10.794 -0.967 173 HG23 THR 25 2HG2 THR 25 -6.197 12.247 -0.553 174 H VAL 26 H VAL 26 -4.341 8.535 1.394 175 HA VAL 26 HA VAL 26 -4.856 7.443 4.123 176 HB VAL 26 HB VAL 26 -2.604 6.749 4.103 177 HG11 VAL 26 1HG1 VAL 26 -3.610 6.112 1.316 178 HG12 VAL 26 2HG1 VAL 26 -2.703 5.071 2.451 179 HG13 VAL 26 3HG1 VAL 26 -4.385 5.492 2.769 180 HG21 VAL 26 3HG2 VAL 26 -1.511 8.644 2.850 181 HG22 VAL 26 1HG2 VAL 26 -1.014 7.048 2.284 182 HG23 VAL 26 2HG2 VAL 26 -2.187 7.999 1.343 183 HA PRO 27 HA PRO 27 -2.990 11.226 5.924 184 HB2 PRO 27 1HB PRO 27 -1.807 10.194 8.158 185 HB3 PRO 27 2HB PRO 27 -3.570 10.406 8.019 186 HG2 PRO 27 1HG PRO 27 -1.997 7.909 7.623 187 HG3 PRO 27 2HG PRO 27 -3.518 8.123 8.547 188 HD2 PRO 27 1HD PRO 27 -3.519 7.157 6.006 189 HD3 PRO 27 2HD PRO 27 -4.824 8.199 6.625 190 H ALA 28 H ALA 28 -0.846 12.095 6.144 191 HA ALA 28 HA ALA 28 1.044 11.011 4.298 192 HB1 ALA 28 1HB ALA 28 2.512 12.839 5.062 193 HB2 ALA 28 2HB ALA 28 0.868 13.432 4.757 194 HB3 ALA 28 3HB ALA 28 1.425 13.152 6.428 195 H MET 29 H MET 29 0.467 10.386 7.603 196 HA MET 29 HA MET 29 2.789 9.389 8.670 197 HB2 MET 29 1HB MET 29 0.040 8.120 8.781 198 HB3 MET 29 2HB MET 29 1.318 7.876 9.962 199 HG2 MET 29 1HG MET 29 0.032 10.596 9.447 200 HG3 MET 29 2HG MET 29 -0.562 9.421 10.592 201 HE1 MET 29 3HE MET 29 -0.458 11.732 12.060 202 HE2 MET 29 1HE MET 29 -0.414 10.153 12.875 203 HE3 MET 29 2HE MET 29 0.667 11.462 13.406 204 H TYR 30 H TYR 30 0.998 7.998 5.926 205 HA TYR 30 HA TYR 30 2.807 5.612 5.996 206 HB2 TYR 30 1HB TYR 30 0.061 5.933 4.739 207 HB3 TYR 30 2HB TYR 30 1.076 4.503 4.640 208 HD1 TYR 30 1HD TYR 30 1.738 3.306 6.867 209 HD2 TYR 30 2HD TYR 30 -1.432 6.214 6.543 210 HE1 TYR 30 1HE TYR 30 0.784 2.500 9.014 211 HE2 TYR 30 2HE TYR 30 -2.317 5.507 8.746 212 HH TYR 30 HH TYR 30 -1.683 4.218 10.804 213 H LEU 31 H LEU 31 2.239 8.560 4.330 214 HA LEU 31 HA LEU 31 3.130 7.686 1.691 215 HB2 LEU 31 1HB LEU 31 2.628 10.329 3.103 216 HB3 LEU 31 2HB LEU 31 3.518 10.304 1.602 217 HG LEU 31 HG LEU 31 0.995 8.683 1.632 218 HD11 LEU 31 1HD1 LEU 31 -0.360 10.672 0.930 219 HD12 LEU 31 2HD1 LEU 31 0.886 11.676 1.716 220 HD13 LEU 31 3HD1 LEU 31 -0.063 10.474 2.641 221 HD21 LEU 31 3HD2 LEU 31 2.176 10.674 -0.364 222 HD22 LEU 31 1HD2 LEU 31 0.941 9.432 -0.690 223 HD23 LEU 31 2HD2 LEU 31 2.610 8.952 -0.299 224 H THR 32 H THR 32 4.533 8.836 4.694 225 HA THR 32 HA THR 32 7.060 9.635 3.943 226 HB THR 32 HB THR 32 5.995 9.770 6.171 227 HG1 THR 32 1HG THR 32 7.799 9.252 7.433 228 HG21 THR 32 3HG2 THR 32 6.744 6.873 6.503 229 HG22 THR 32 1HG2 THR 32 5.078 7.451 6.281 230 HG23 THR 32 2HG2 THR 32 5.999 7.901 7.714 231 HA PRO 33 HA PRO 33 8.825 6.147 1.990 232 HB2 PRO 33 1HB PRO 33 11.539 6.403 2.450 233 HB3 PRO 33 2HB PRO 33 10.590 7.405 1.316 234 HG2 PRO 33 1HG PRO 33 11.434 8.059 4.129 235 HG3 PRO 33 2HG PRO 33 11.459 9.112 2.676 236 HD2 PRO 33 1HD PRO 33 9.504 9.205 4.567 237 HD3 PRO 33 2HD PRO 33 9.142 9.515 2.848 238 H GLU 34 H GLU 34 9.144 6.409 5.429 239 HA GLU 34 HA GLU 34 10.554 4.128 6.177 240 HB2 GLU 34 1HB GLU 34 8.163 5.517 7.457 241 HB3 GLU 34 2HB GLU 34 9.062 4.237 8.232 242 HG2 GLU 34 1HG GLU 34 11.168 5.656 7.914 243 HG3 GLU 34 2HG GLU 34 10.108 6.972 7.397 244 H TYR 35 H TYR 35 7.450 4.220 4.578 245 HA TYR 35 HA TYR 35 6.988 1.333 5.243 246 HB2 TYR 35 1HB TYR 35 4.983 3.480 4.472 247 HB3 TYR 35 2HB TYR 35 4.619 1.795 4.823 248 HD1 TYR 35 1HD TYR 35 5.963 4.924 6.325 249 HD2 TYR 35 2HD TYR 35 4.302 1.040 7.094 250 HE1 TYR 35 1HE TYR 35 5.775 5.506 8.723 251 HE2 TYR 35 2HE TYR 35 4.016 1.640 9.481 252 HH TYR 35 HH TYR 35 3.886 4.290 10.759 253 H ASN 36 H ASN 36 8.169 3.191 2.811 254 HA ASN 36 HA ASN 36 6.575 2.550 0.550 255 HB2 ASN 36 1HB ASN 36 8.146 4.490 0.806 256 HB3 ASN 36 2HB ASN 36 9.505 3.403 0.539 257 HD21 ASN 36 1HD2 ASN 36 8.737 5.722 -1.059 258 HD22 ASN 36 2HD2 ASN 36 8.246 5.186 -2.623 259 H ILE 37 H ILE 37 6.258 0.400 0.004 260 HA ILE 37 HA ILE 37 8.532 -1.460 0.075 261 HB ILE 37 HB ILE 37 5.752 -2.112 -0.905 262 HG12 ILE 37 1HG1 ILE 37 6.758 -2.367 1.968 263 HG13 ILE 37 2HG1 ILE 37 5.522 -1.240 1.406 264 HG21 ILE 37 1HG2 ILE 37 7.764 -3.592 -1.417 265 HG22 ILE 37 2HG2 ILE 37 7.968 -3.836 0.327 266 HG23 ILE 37 3HG2 ILE 37 6.513 -4.399 -0.515 267 HD11 ILE 37 3HD1 ILE 37 4.365 -3.085 2.321 268 HD12 ILE 37 1HD1 ILE 37 4.198 -3.178 0.552 269 HD13 ILE 37 2HD1 ILE 37 5.352 -4.242 1.409 270 H LYS 38 H LYS 38 9.760 -0.296 -1.424 271 HA LYS 38 HA LYS 38 8.963 -0.030 -4.193 272 HB2 LYS 38 1HB LYS 38 11.693 -0.049 -2.856 273 HB3 LYS 38 2HB LYS 38 11.539 -0.061 -4.621 274 HG2 LYS 38 1HG LYS 38 10.080 1.923 -4.534 275 HG3 LYS 38 2HG LYS 38 10.285 2.023 -2.783 276 HD2 LYS 38 1HD LYS 38 12.537 2.295 -4.818 277 HD3 LYS 38 2HD LYS 38 11.581 3.637 -4.175 278 HE2 LYS 38 1HE LYS 38 12.291 2.740 -1.828 279 HE3 LYS 38 2HE LYS 38 13.561 1.874 -2.720 280 HZ1 LYS 38 3HZ LYS 38 14.189 4.094 -3.633 281 HZ2 LYS 38 1HZ LYS 38 14.373 3.991 -1.994 282 HZ3 LYS 38 2HZ LYS 38 13.087 4.794 -2.650 283 H GLN 39 H GLN 39 9.757 -2.877 -2.375 284 HA GLN 39 HA GLN 39 10.437 -4.429 -4.776 285 HB2 GLN 39 1HB GLN 39 10.038 -5.246 -1.854 286 HB3 GLN 39 2HB GLN 39 10.559 -6.310 -3.161 287 HG2 GLN 39 1HG GLN 39 12.060 -3.931 -1.996 288 HG3 GLN 39 2HG GLN 39 12.519 -5.638 -1.943 289 HE21 GLN 39 1HE2 GLN 39 13.142 -2.727 -3.563 290 HE22 GLN 39 2HE2 GLN 39 13.749 -3.420 -5.058 291 H TRP 40 H TRP 40 8.676 -4.665 -6.155 292 HA TRP 40 HA TRP 40 6.456 -6.228 -4.924 293 HB2 TRP 40 1HB TRP 40 4.893 -5.197 -6.470 294 HB3 TRP 40 2HB TRP 40 5.513 -4.096 -5.266 295 HD1 TRP 40 HD TRP 40 7.017 -2.047 -6.173 296 HE1 TRP 40 1HE TRP 40 7.388 -1.037 -8.533 297 HE3 TRP 40 3HE TRP 40 5.054 -5.841 -9.002 298 HZ2 TRP 40 2HZ TRP 40 6.714 -1.714 -11.251 299 HZ3 TRP 40 3HZ TRP 40 4.981 -5.652 -11.466 300 HH2 TRP 40 HH TRP 40 5.770 -3.582 -12.593 301 H GLN 41 H GLN 41 8.608 -5.871 -7.740 302 HA GLN 41 HA GLN 41 7.280 -7.612 -9.449 303 HB2 GLN 41 1HB GLN 41 9.758 -6.324 -9.440 304 HB3 GLN 41 2HB GLN 41 10.235 -7.984 -9.463 305 HG2 GLN 41 1HG GLN 41 8.168 -6.791 -11.360 306 HG3 GLN 41 2HG GLN 41 9.893 -6.798 -11.700 307 HE21 GLN 41 1HE2 GLN 41 10.603 -9.528 -10.888 308 HE22 GLN 41 2HE2 GLN 41 9.747 -10.571 -12.005 309 H GLN 42 H GLN 42 9.296 -8.373 -6.712 310 HA GLN 42 HA GLN 42 9.436 -11.232 -7.303 311 HB2 GLN 42 1HB GLN 42 10.513 -9.576 -4.980 312 HB3 GLN 42 2HB GLN 42 10.846 -11.282 -5.286 313 HG2 GLN 42 1HG GLN 42 11.652 -10.481 -7.639 314 HG3 GLN 42 2HG GLN 42 11.789 -8.897 -6.871 315 HE21 GLN 42 1HE2 GLN 42 13.403 -11.779 -7.509 316 HE22 GLN 42 2HE2 GLN 42 14.670 -11.691 -6.302 317 H ARG 43 H ARG 43 6.683 -10.046 -6.789 318 HA ARG 43 HA ARG 43 5.889 -11.834 -4.613 319 HB2 ARG 43 1HB ARG 43 4.950 -8.923 -4.738 320 HB3 ARG 43 2HB ARG 43 4.529 -10.143 -3.531 321 HG2 ARG 43 1HG ARG 43 6.989 -10.203 -2.868 322 HG3 ARG 43 2HG ARG 43 7.232 -8.786 -3.903 323 HD2 ARG 43 1HD ARG 43 5.395 -9.008 -1.491 324 HD3 ARG 43 2HD ARG 43 6.954 -8.170 -1.566 325 HE ARG 43 HE ARG 43 5.357 -7.044 -3.563 326 HH11 ARG 43 1HH1 ARG 43 5.460 -7.289 -0.054 327 HH12 ARG 43 2HH1 ARG 43 4.379 -5.980 0.251 328 HH21 ARG 43 1HH2 ARG 43 4.041 -5.107 -3.199 329 HH22 ARG 43 2HH2 ARG 43 3.825 -4.543 -1.582 330 H ASN 44 H ASN 44 3.563 -12.207 -4.732 331 HA ASN 44 HA ASN 44 2.578 -12.562 -7.348 332 HB2 ASN 44 1HB ASN 44 1.928 -13.651 -5.024 333 HB3 ASN 44 2HB ASN 44 0.716 -12.381 -4.960 334 HD21 ASN 44 1HD2 ASN 44 0.265 -15.155 -5.070 335 HD22 ASN 44 2HD2 ASN 44 -0.590 -15.569 -6.563 336 H LEU 45 H LEU 45 2.261 -9.898 -5.153 337 HA LEU 45 HA LEU 45 -0.052 -8.641 -5.983 338 HB2 LEU 45 1HB LEU 45 2.586 -7.498 -4.994 339 HB3 LEU 45 2HB LEU 45 1.221 -6.465 -5.342 340 HG LEU 45 HG LEU 45 0.594 -8.850 -3.621 341 HD11 LEU 45 1HD1 LEU 45 1.412 -7.829 -1.598 342 HD12 LEU 45 2HD1 LEU 45 2.034 -6.444 -2.505 343 HD13 LEU 45 3HD1 LEU 45 2.756 -8.076 -2.712 344 HD21 LEU 45 3HD2 LEU 45 -0.186 -5.892 -3.547 345 HD22 LEU 45 1HD2 LEU 45 -0.802 -7.149 -2.463 346 HD23 LEU 45 2HD2 LEU 45 -1.168 -7.233 -4.191 347 HA PRO 46 HA PRO 46 0.829 -6.918 -9.980 348 HB2 PRO 46 1HB PRO 46 -1.023 -4.913 -10.123 349 HB3 PRO 46 2HB PRO 46 -1.492 -6.647 -10.085 350 HG2 PRO 46 1HG PRO 46 -1.394 -4.645 -7.839 351 HG3 PRO 46 2HG PRO 46 -2.716 -5.767 -8.221 352 HD2 PRO 46 1HD PRO 46 -0.820 -6.273 -6.314 353 HD3 PRO 46 2HD PRO 46 -1.584 -7.575 -7.265 354 H ALA 47 H ALA 47 1.109 -4.657 -10.979 355 HA ALA 47 HA ALA 47 3.366 -3.329 -9.880 356 HB1 ALA 47 1HB ALA 47 2.989 -1.805 -11.832 357 HB2 ALA 47 2HB ALA 47 2.852 -3.504 -12.308 358 HB3 ALA 47 3HB ALA 47 1.391 -2.515 -12.074 359 HA PRO 48 HA PRO 48 1.166 0.194 -7.911 360 HB2 PRO 48 1HB PRO 48 2.858 2.277 -8.446 361 HB3 PRO 48 2HB PRO 48 3.254 1.035 -7.228 362 HG2 PRO 48 1HG PRO 48 4.135 1.137 -10.129 363 HG3 PRO 48 2HG PRO 48 5.159 0.904 -8.678 364 HD2 PRO 48 1HD PRO 48 4.260 -1.181 -10.163 365 HD3 PRO 48 2HD PRO 48 4.372 -1.304 -8.379 366 H ASP 49 H ASP 49 0.703 2.584 -8.941 367 HA ASP 49 HA ASP 49 -0.161 2.282 -11.757 368 HB2 ASP 49 1HB ASP 49 -1.205 4.056 -9.541 369 HB3 ASP 49 2HB ASP 49 -1.293 4.609 -11.169 370 H ALA 50 H ALA 50 0.136 4.693 -12.728 371 HA ALA 50 HA ALA 50 2.971 4.681 -13.100 372 HB1 ALA 50 1HB ALA 50 2.384 6.119 -15.017 373 HB2 ALA 50 2HB ALA 50 1.221 4.797 -14.896 374 HB3 ALA 50 3HB ALA 50 0.776 6.424 -14.320 375 H GLY 51 H GLY 51 2.554 5.597 -10.553 376 HA2 GLY 51 2HA GLY 51 4.255 7.657 -10.042 377 HA3 GLY 51 1HA GLY 51 2.755 8.528 -10.372 378 H SER 52 H SER 52 3.383 5.353 -8.705 379 HA SER 52 HA SER 52 2.426 6.435 -6.174 380 HB2 SER 52 1HB SER 52 0.677 4.513 -6.056 381 HB3 SER 52 2HB SER 52 0.254 5.954 -6.977 382 HG SER 52 HG SER 52 -0.299 4.206 -8.103 383 H HIS 53 H HIS 53 2.377 4.550 -4.500 384 HA HIS 53 HA HIS 53 4.267 2.440 -5.218 385 HB2 HIS 53 1HB HIS 53 5.539 2.891 -3.182 386 HB3 HIS 53 2HB HIS 53 5.823 4.052 -4.485 387 HD1 HIS 53 1HD HIS 53 4.433 6.562 -3.984 388 HD2 HIS 53 2HD HIS 53 5.213 3.836 -0.881 389 HE1 HIS 53 1HE HIS 53 4.298 7.900 -1.826 390 H TRP 54 H TRP 54 4.286 0.707 -3.812 391 HA TRP 54 HA TRP 54 1.790 0.301 -2.341 392 HB2 TRP 54 1HB TRP 54 4.168 -1.468 -3.014 393 HB3 TRP 54 2HB TRP 54 2.859 -1.972 -1.950 394 HD1 TRP 54 HD TRP 54 3.667 -1.590 -5.625 395 HE1 TRP 54 1HE TRP 54 1.646 -2.555 -7.024 396 HE3 TRP 54 3HE TRP 54 0.180 -2.110 -1.924 397 HZ2 TRP 54 2HZ TRP 54 -1.065 -3.033 -6.651 398 HZ3 TRP 54 3HZ TRP 54 -2.148 -2.816 -2.475 399 HH2 TRP 54 HH TRP 54 -2.781 -3.256 -4.847 400 H THR 55 H THR 55 1.661 0.216 -0.067 401 HA THR 55 HA THR 55 4.164 0.468 1.471 402 HB THR 55 HB THR 55 3.069 2.090 2.955 403 HG1 THR 55 1HG THR 55 1.185 3.138 2.027 404 HG21 THR 55 3HG2 THR 55 3.183 4.012 1.514 405 HG22 THR 55 1HG2 THR 55 2.931 3.014 0.064 406 HG23 THR 55 2HG2 THR 55 4.425 2.855 1.023 407 H TYR 56 H TYR 56 3.703 0.027 3.862 408 HA TYR 56 HA TYR 56 1.878 -2.311 4.111 409 HB2 TYR 56 1HB TYR 56 4.405 -2.511 4.465 410 HB3 TYR 56 2HB TYR 56 4.218 -1.514 5.881 411 HD1 TYR 56 2HD TYR 56 2.723 -4.555 4.258 412 HD2 TYR 56 1HD TYR 56 3.836 -2.640 7.951 413 HE1 TYR 56 2HE TYR 56 2.384 -6.698 5.464 414 HE2 TYR 56 1HE TYR 56 3.454 -4.760 9.173 415 HH TYR 56 HH TYR 56 2.168 -7.682 7.585 416 H MET 57 H MET 57 -0.136 -1.382 4.769 417 HA MET 57 HA MET 57 -0.125 0.667 6.848 418 HB2 MET 57 1HB MET 57 -1.001 0.727 4.351 419 HB3 MET 57 2HB MET 57 -2.363 -0.174 4.972 420 HG2 MET 57 1HG MET 57 -1.357 2.516 5.956 421 HG3 MET 57 2HG MET 57 -2.704 2.148 4.861 422 HE1 MET 57 3HE MET 57 -3.312 4.103 6.626 423 HE2 MET 57 1HE MET 57 -4.780 3.189 6.234 424 HE3 MET 57 2HE MET 57 -4.450 3.642 7.917 425 H GLY 58 H GLY 58 -0.245 -0.486 8.821 426 HA2 GLY 58 2HA GLY 58 -1.427 -1.553 10.491 427 HA3 GLY 58 1HA GLY 58 -2.797 -1.700 9.399 428 H GLY 59 H GLY 59 -0.106 -3.063 7.895 429 HA2 GLY 59 2HA GLY 59 0.654 -5.385 8.102 430 HA3 GLY 59 1HA GLY 59 -0.920 -5.812 8.738 431 H ASN 60 H ASN 60 -1.538 -3.538 6.307 432 HA ASN 60 HA ASN 60 -2.236 -5.690 4.411 433 HB2 ASN 60 1HB ASN 60 -3.649 -3.055 4.884 434 HB3 ASN 60 2HB ASN 60 -4.258 -4.485 4.052 435 HD21 ASN 60 1HD2 ASN 60 -5.054 -2.840 6.599 436 HD22 ASN 60 2HD2 ASN 60 -5.507 -4.112 7.712 437 H TYR 61 H TYR 61 -1.960 -5.175 2.133 438 HA TYR 61 HA TYR 61 0.218 -3.233 1.770 439 HB2 TYR 61 1HB TYR 61 -0.959 -5.345 -0.085 440 HB3 TYR 61 2HB TYR 61 0.330 -4.237 -0.532 441 HD1 TYR 61 1HD TYR 61 2.297 -4.129 1.415 442 HD2 TYR 61 2HD TYR 61 -0.288 -7.478 0.620 443 HE1 TYR 61 1HE TYR 61 3.964 -5.673 2.443 444 HE2 TYR 61 2HE TYR 61 1.424 -9.023 1.492 445 HH TYR 61 HH TYR 61 4.538 -7.841 2.870 446 H VAL 62 H VAL 62 -0.328 -1.140 1.022 447 HA VAL 62 HA VAL 62 -2.835 -0.953 -0.594 448 HB VAL 62 HB VAL 62 -3.427 1.078 0.473 449 HG11 VAL 62 1HG1 VAL 62 -4.061 -1.143 1.502 450 HG12 VAL 62 2HG1 VAL 62 -2.767 -0.925 2.685 451 HG13 VAL 62 3HG1 VAL 62 -4.110 0.220 2.620 452 HG21 VAL 62 3HG2 VAL 62 -0.915 0.755 2.166 453 HG22 VAL 62 1HG2 VAL 62 -1.263 2.054 1.022 454 HG23 VAL 62 2HG2 VAL 62 -2.219 1.926 2.499 455 H LEU 63 H LEU 63 -2.792 0.473 -2.257 456 HA LEU 63 HA LEU 63 -0.048 1.342 -3.115 457 HB2 LEU 63 1HB LEU 63 -1.133 -0.191 -4.681 458 HB3 LEU 63 2HB LEU 63 -2.581 0.816 -4.697 459 HG LEU 63 HG LEU 63 -1.271 2.677 -5.716 460 HD11 LEU 63 1HD1 LEU 63 0.989 2.138 -6.681 461 HD12 LEU 63 2HD1 LEU 63 1.029 0.687 -5.646 462 HD13 LEU 63 3HD1 LEU 63 0.949 2.304 -4.949 463 HD21 LEU 63 3HD2 LEU 63 -1.256 1.816 -7.894 464 HD22 LEU 63 1HD2 LEU 63 -2.543 0.993 -7.043 465 HD23 LEU 63 2HD2 LEU 63 -1.021 0.130 -7.328 466 H ILE 64 H ILE 64 0.354 3.495 -2.943 467 HA ILE 64 HA ILE 64 -1.946 5.363 -2.891 468 HB ILE 64 HB ILE 64 -0.688 6.610 -1.186 469 HG12 ILE 64 1HG1 ILE 64 0.904 4.113 -0.531 470 HG13 ILE 64 2HG1 ILE 64 1.554 5.255 -1.714 471 HG21 ILE 64 1HG2 ILE 64 -1.531 3.777 -0.455 472 HG22 ILE 64 2HG2 ILE 64 -1.362 5.129 0.666 473 HG23 ILE 64 3HG2 ILE 64 -2.591 5.189 -0.616 474 HD11 ILE 64 3HD1 ILE 64 1.300 7.098 -0.154 475 HD12 ILE 64 1HD1 ILE 64 0.774 5.974 1.126 476 HD13 ILE 64 2HD1 ILE 64 2.411 5.862 0.444 477 H THR 65 H THR 65 -1.833 7.172 -4.152 478 HA THR 65 HA THR 65 0.270 7.576 -5.964 479 HB THR 65 HB THR 65 -0.953 10.063 -5.731 480 HG1 THR 65 1HG THR 65 -3.184 9.401 -5.793 481 HG21 THR 65 3HG2 THR 65 -0.480 8.879 -7.787 482 HG22 THR 65 1HG2 THR 65 -2.186 9.254 -7.751 483 HG23 THR 65 2HG2 THR 65 -1.668 7.612 -7.395 484 H ASP 66 H ASP 66 2.140 8.528 -6.016 485 HA ASP 66 HA ASP 66 3.303 9.446 -3.520 486 HB2 ASP 66 1HB ASP 66 4.231 8.076 -5.563 487 HB3 ASP 66 2HB ASP 66 4.684 9.651 -6.203 488 H THR 67 H THR 67 1.236 10.876 -5.068 489 HA THR 67 HA THR 67 2.254 13.669 -5.044 490 HB THR 67 HB THR 67 2.507 12.696 -7.286 491 HG1 THR 67 1HG THR 67 0.601 14.724 -6.950 492 HG21 THR 67 3HG2 THR 67 0.749 11.010 -7.316 493 HG22 THR 67 1HG2 THR 67 0.566 12.106 -8.675 494 HG23 THR 67 2HG2 THR 67 -0.512 12.272 -7.274 495 H GLU 68 H GLU 68 0.112 11.746 -3.537 496 HA GLU 68 HA GLU 68 -1.779 13.741 -2.856 497 HB2 GLU 68 1HB GLU 68 -2.726 13.386 -5.053 498 HB3 GLU 68 2HB GLU 68 -2.722 11.642 -4.869 499 HG2 GLU 68 1HG GLU 68 -4.571 11.743 -3.384 500 HG3 GLU 68 2HG GLU 68 -4.347 13.477 -3.092 501 H GLY 69 H GLY 69 -1.303 10.236 -3.389 502 HA2 GLY 69 2HA GLY 69 -1.405 8.440 -2.099 503 HA3 GLY 69 1HA GLY 69 -1.513 9.428 -0.663 504 H LYS 70 H LYS 70 -3.605 9.255 -3.565 505 HA LYS 70 HA LYS 70 -6.017 8.633 -2.014 506 HB2 LYS 70 1HB LYS 70 -5.382 9.055 -4.879 507 HB3 LYS 70 2HB LYS 70 -6.378 7.644 -4.590 508 HG2 LYS 70 1HG LYS 70 -7.767 9.318 -3.028 509 HG3 LYS 70 2HG LYS 70 -7.038 10.535 -4.070 510 HD2 LYS 70 1HD LYS 70 -8.697 8.113 -4.872 511 HD3 LYS 70 2HD LYS 70 -9.251 9.780 -4.895 512 HE2 LYS 70 1HE LYS 70 -6.973 8.655 -6.614 513 HE3 LYS 70 2HE LYS 70 -8.665 8.773 -7.133 514 HZ1 LYS 70 3HZ LYS 70 -7.305 10.640 -7.880 515 HZ2 LYS 70 1HZ LYS 70 -6.977 11.088 -6.345 516 HZ3 LYS 70 2HZ LYS 70 -8.535 11.140 -6.909 517 H ILE 71 H ILE 71 -6.923 6.563 -1.947 518 HA ILE 71 HA ILE 71 -5.007 4.371 -1.730 519 HB ILE 71 HB ILE 71 -7.960 4.747 -1.062 520 HG12 ILE 71 1HG1 ILE 71 -5.467 4.683 0.699 521 HG13 ILE 71 2HG1 ILE 71 -6.323 6.139 0.261 522 HG21 ILE 71 1HG2 ILE 71 -6.177 2.431 -0.207 523 HG22 ILE 71 2HG2 ILE 71 -7.894 2.688 0.206 524 HG23 ILE 71 3HG2 ILE 71 -7.435 2.329 -1.459 525 HD11 ILE 71 3HD1 ILE 71 -8.394 5.102 1.331 526 HD12 ILE 71 1HD1 ILE 71 -7.281 3.926 2.049 527 HD13 ILE 71 2HD1 ILE 71 -7.092 5.655 2.399 528 H LEU 72 H LEU 72 -4.441 4.036 -3.964 529 HA LEU 72 HA LEU 72 -6.377 3.756 -6.023 530 HB2 LEU 72 1HB LEU 72 -3.545 2.710 -5.815 531 HB3 LEU 72 2HB LEU 72 -4.531 2.751 -7.268 532 HG LEU 72 HG LEU 72 -3.187 4.544 -7.526 533 HD11 LEU 72 1HD1 LEU 72 -4.457 6.595 -7.439 534 HD12 LEU 72 2HD1 LEU 72 -5.410 5.993 -6.081 535 HD13 LEU 72 3HD1 LEU 72 -5.637 5.273 -7.679 536 HD21 LEU 72 3HD2 LEU 72 -2.675 6.280 -5.889 537 HD22 LEU 72 1HD2 LEU 72 -1.826 4.725 -5.915 538 HD23 LEU 72 2HD2 LEU 72 -3.085 5.027 -4.704 539 H LYS 73 H LYS 73 -4.638 1.421 -3.986 540 HA LYS 73 HA LYS 73 -6.745 -0.605 -4.502 541 HB2 LYS 73 1HB LYS 73 -3.790 -1.116 -4.963 542 HB3 LYS 73 2HB LYS 73 -5.050 -2.350 -4.898 543 HG2 LYS 73 1HG LYS 73 -6.166 -1.215 -6.876 544 HG3 LYS 73 2HG LYS 73 -4.717 -0.181 -7.010 545 HD2 LYS 73 1HD LYS 73 -3.308 -2.264 -7.194 546 HD3 LYS 73 2HD LYS 73 -4.806 -3.211 -7.055 547 HE2 LYS 73 1HE LYS 73 -4.230 -3.250 -9.308 548 HE3 LYS 73 2HE LYS 73 -5.655 -2.235 -9.124 549 HZ1 LYS 73 3HZ LYS 73 -2.901 -1.244 -9.570 550 HZ2 LYS 73 1HZ LYS 73 -4.284 -0.304 -9.376 551 HZ3 LYS 73 2HZ LYS 73 -4.136 -1.312 -10.638 552 H VAL 74 H VAL 74 -6.697 -2.347 -2.962 553 HA VAL 74 HA VAL 74 -4.793 -2.257 -0.726 554 HB VAL 74 HB VAL 74 -7.811 -2.574 -0.363 555 HG11 VAL 74 1HG1 VAL 74 -5.552 -2.703 1.708 556 HG12 VAL 74 2HG1 VAL 74 -7.285 -2.685 2.072 557 HG13 VAL 74 3HG1 VAL 74 -6.585 -4.035 1.186 558 HG21 VAL 74 3HG2 VAL 74 -7.682 -0.544 1.049 559 HG22 VAL 74 1HG2 VAL 74 -5.990 -0.309 0.553 560 HG23 VAL 74 2HG2 VAL 74 -7.298 -0.208 -0.634 561 H TYR 75 H TYR 75 -3.987 -4.279 -0.488 562 HA TYR 75 HA TYR 75 -5.719 -6.597 -1.092 563 HB2 TYR 75 1HB TYR 75 -2.796 -6.364 -1.779 564 HB3 TYR 75 2HB TYR 75 -3.599 -7.911 -1.534 565 HD1 TYR 75 2HD TYR 75 -3.362 -4.983 -3.709 566 HD2 TYR 75 1HD TYR 75 -5.256 -8.780 -3.150 567 HE1 TYR 75 2HE TYR 75 -4.152 -4.938 -6.067 568 HE2 TYR 75 1HE TYR 75 -6.073 -8.755 -5.459 569 HH TYR 75 HH TYR 75 -5.996 -5.949 -7.470 570 H ASP 76 H ASP 76 -5.663 -8.064 0.705 571 HA ASP 76 HA ASP 76 -4.564 -7.090 3.166 572 HB2 ASP 76 1HB ASP 76 -6.473 -8.805 2.805 573 HB3 ASP 76 2HB ASP 76 -5.193 -10.021 2.689 574 H GLY 77 H GLY 77 -2.839 -8.090 4.439 575 HA2 GLY 77 2HA GLY 77 -0.327 -8.434 3.039 576 HA3 GLY 77 1HA GLY 77 -0.623 -8.626 4.763 577 H GLU 78 H GLU 78 -2.898 -10.610 3.986 578 HA GLU 78 HA GLU 78 -1.544 -13.060 4.279 579 HB2 GLU 78 1HB GLU 78 -4.170 -12.446 2.875 580 HB3 GLU 78 2HB GLU 78 -3.632 -14.060 3.387 581 HG2 GLU 78 1HG GLU 78 -3.662 -13.295 5.755 582 HG3 GLU 78 2HG GLU 78 -4.255 -11.722 5.233 583 H ILE 79 H ILE 79 -2.062 -11.131 1.353 584 HA ILE 79 HA ILE 79 -1.670 -13.148 -0.584 585 HB ILE 79 HB ILE 79 -2.625 -10.808 -0.817 586 HG12 ILE 79 1HG1 ILE 79 -0.461 -11.425 -2.869 587 HG13 ILE 79 2HG1 ILE 79 -1.983 -12.306 -2.771 588 HG21 ILE 79 1HG2 ILE 79 -1.253 -8.901 -1.000 589 HG22 ILE 79 2HG2 ILE 79 -0.530 -9.760 0.348 590 HG23 ILE 79 3HG2 ILE 79 0.234 -9.854 -1.240 591 HD11 ILE 79 3HD1 ILE 79 -1.943 -9.271 -3.057 592 HD12 ILE 79 1HD1 ILE 79 -1.832 -10.351 -4.428 593 HD13 ILE 79 2HD1 ILE 79 -3.267 -10.405 -3.363 594 H PHE 80 H PHE 80 0.671 -11.695 1.575 595 HA PHE 80 HA PHE 80 2.928 -11.522 -0.086 596 HB2 PHE 80 1HB PHE 80 2.740 -10.621 2.220 597 HB3 PHE 80 2HB PHE 80 2.733 -12.218 2.854 598 HD1 PHE 80 2HD PHE 80 5.125 -11.271 0.117 599 HD2 PHE 80 1HD PHE 80 4.543 -11.812 4.359 600 HE1 PHE 80 2HE PHE 80 7.561 -11.195 0.471 601 HE2 PHE 80 1HE PHE 80 6.996 -11.684 4.701 602 HZ PHE 80 HZ PHE 80 8.507 -11.347 2.762 603 H TYR 81 H TYR 81 1.812 -14.157 1.986 604 HA TYR 81 HA TYR 81 3.863 -15.994 1.256 605 HB2 TYR 81 1HB TYR 81 1.282 -16.620 2.673 606 HB3 TYR 81 2HB TYR 81 2.820 -17.414 2.860 607 HD1 TYR 81 1HD TYR 81 0.761 -14.494 3.777 608 HD2 TYR 81 2HD TYR 81 4.633 -16.343 4.215 609 HE1 TYR 81 1HE TYR 81 1.320 -12.865 5.527 610 HE2 TYR 81 2HE TYR 81 5.176 -14.743 6.049 611 HH TYR 81 HH TYR 81 4.081 -13.194 7.609 612 H HIS 82 H HIS 82 1.050 -15.084 -0.464 613 HA HIS 82 HA HIS 82 0.258 -17.800 -1.266 614 HB2 HIS 82 1HB HIS 82 -1.515 -16.146 -0.616 615 HB3 HIS 82 2HB HIS 82 -1.006 -15.101 -1.935 616 HD1 HIS 82 1HD HIS 82 -2.728 -18.456 -1.297 617 HD2 HIS 82 2HD HIS 82 -1.750 -15.835 -4.421 618 HE1 HIS 82 1HE HIS 82 -3.914 -19.352 -3.356 619 H ARG 83 H ARG 83 2.185 -18.241 -2.357 620 HA ARG 83 HA ARG 83 3.363 -18.613 -4.116 621 HB2 ARG 83 1HB ARG 83 1.075 -18.108 -5.340 622 HB3 ARG 83 2HB ARG 83 1.891 -16.614 -5.854 623 HG2 ARG 83 1HG ARG 83 3.802 -18.092 -6.680 624 HG3 ARG 83 2HG ARG 83 2.749 -19.468 -6.280 625 HD2 ARG 83 1HD ARG 83 1.011 -18.054 -7.812 626 HD3 ARG 83 2HD ARG 83 2.505 -17.406 -8.480 627 HE ARG 83 HE ARG 83 3.082 -19.503 -9.320 628 HH11 ARG 83 1HH1 ARG 83 -0.107 -19.688 -7.661 629 HH12 ARG 83 2HH1 ARG 83 -0.208 -21.411 -7.851 630 HH21 ARG 83 1HH2 ARG 83 2.822 -21.738 -9.635 631 HH22 ARG 83 2HH2 ARG 83 1.383 -22.582 -9.155 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -13.943 -21.080 -7.699 2 HA2 GLY 1 2HA GLY 1 -14.364 -18.494 -6.307 3 HA3 GLY 1 1HA GLY 1 -13.194 -19.717 -5.784 4 H ALA 2 H ALA 2 -11.585 -18.103 -5.954 5 HA ALA 2 HA ALA 2 -10.270 -18.220 -8.564 6 HB1 ALA 2 1HB ALA 2 -9.284 -15.953 -8.158 7 HB2 ALA 2 2HB ALA 2 -11.015 -15.889 -8.475 8 HB3 ALA 2 3HB ALA 2 -10.427 -15.724 -6.808 9 H ALA 3 H ALA 3 -7.800 -17.860 -8.061 10 HA ALA 3 HA ALA 3 -6.972 -18.498 -5.363 11 HB1 ALA 3 1HB ALA 3 -6.783 -20.657 -7.518 12 HB2 ALA 3 2HB ALA 3 -5.862 -20.665 -5.991 13 HB3 ALA 3 3HB ALA 3 -7.635 -20.756 -5.960 14 H GLY 4 H GLY 4 -6.131 -16.407 -6.022 15 HA2 GLY 4 2HA GLY 4 -3.423 -16.562 -7.028 16 HA3 GLY 4 1HA GLY 4 -4.538 -15.575 -8.030 17 H ILE 5 H ILE 5 -5.015 -13.598 -7.395 18 HA ILE 5 HA ILE 5 -4.267 -12.785 -4.632 19 HB ILE 5 HB ILE 5 -3.555 -10.639 -5.425 20 HG12 ILE 5 1HG1 ILE 5 -3.999 -11.519 -8.288 21 HG13 ILE 5 2HG1 ILE 5 -5.064 -10.432 -7.398 22 HG21 ILE 5 1HG2 ILE 5 -1.471 -11.236 -6.459 23 HG22 ILE 5 2HG2 ILE 5 -1.920 -12.563 -5.372 24 HG23 ILE 5 3HG2 ILE 5 -2.144 -12.735 -7.125 25 HD11 ILE 5 3HD1 ILE 5 -2.167 -9.874 -8.129 26 HD12 ILE 5 1HD1 ILE 5 -3.622 -9.039 -8.702 27 HD13 ILE 5 2HD1 ILE 5 -3.132 -8.884 -7.003 28 H ASP 6 H ASP 6 -6.755 -12.862 -6.958 29 HA ASP 6 HA ASP 6 -8.186 -10.530 -6.289 30 HB2 ASP 6 1HB ASP 6 -8.472 -12.213 -8.193 31 HB3 ASP 6 2HB ASP 6 -9.426 -13.186 -7.075 32 H GLN 7 H GLN 7 -7.979 -13.653 -4.731 33 HA GLN 7 HA GLN 7 -10.148 -13.469 -2.899 34 HB2 GLN 7 1HB GLN 7 -9.107 -15.383 -1.868 35 HB3 GLN 7 2HB GLN 7 -8.995 -15.503 -3.630 36 HG2 GLN 7 1HG GLN 7 -6.593 -14.526 -3.345 37 HG3 GLN 7 2HG GLN 7 -6.801 -14.967 -1.640 38 HE21 GLN 7 1HE2 GLN 7 -4.897 -16.093 -3.716 39 HE22 GLN 7 2HE2 GLN 7 -5.263 -17.794 -3.744 40 H TYR 8 H TYR 8 -7.040 -11.865 -2.918 41 HA TYR 8 HA TYR 8 -7.390 -10.987 -0.102 42 HB2 TYR 8 1HB TYR 8 -4.969 -10.590 -1.850 43 HB3 TYR 8 2HB TYR 8 -5.088 -10.391 -0.111 44 HD1 TYR 8 2HD TYR 8 -5.984 -12.649 1.149 45 HD2 TYR 8 1HD TYR 8 -3.911 -12.494 -2.619 46 HE1 TYR 8 2HE TYR 8 -5.417 -15.036 1.372 47 HE2 TYR 8 1HE TYR 8 -3.333 -14.890 -2.420 48 HH TYR 8 HH TYR 8 -4.994 -16.877 -0.130 49 H ALA 9 H ALA 9 -8.471 -10.037 -3.089 50 HA ALA 9 HA ALA 9 -7.523 -7.282 -3.124 51 HB1 ALA 9 1HB ALA 9 -9.113 -7.001 -4.960 52 HB2 ALA 9 2HB ALA 9 -8.166 -8.475 -5.209 53 HB3 ALA 9 3HB ALA 9 -9.841 -8.580 -4.622 54 H LEU 10 H LEU 10 -8.008 -6.244 -1.251 55 HA LEU 10 HA LEU 10 -10.699 -6.355 -0.063 56 HB2 LEU 10 1HB LEU 10 -8.180 -4.795 0.612 57 HB3 LEU 10 2HB LEU 10 -9.684 -4.648 1.514 58 HG LEU 10 HG LEU 10 -7.993 -7.170 1.285 59 HD11 LEU 10 1HD1 LEU 10 -8.381 -5.185 3.570 60 HD12 LEU 10 2HD1 LEU 10 -6.891 -5.442 2.628 61 HD13 LEU 10 3HD1 LEU 10 -7.501 -6.717 3.690 62 HD21 LEU 10 3HD2 LEU 10 -10.480 -6.609 2.967 63 HD22 LEU 10 1HD2 LEU 10 -9.448 -8.045 3.101 64 HD23 LEU 10 2HD2 LEU 10 -10.355 -7.776 1.622 65 H LYS 11 H LYS 11 -11.984 -4.437 0.051 66 HA LYS 11 HA LYS 11 -11.424 -2.385 -2.018 67 HB2 LYS 11 1HB LYS 11 -14.152 -3.471 -1.201 68 HB3 LYS 11 2HB LYS 11 -13.741 -2.523 -2.640 69 HG2 LYS 11 1HG LYS 11 -12.808 -5.385 -2.141 70 HG3 LYS 11 2HG LYS 11 -14.203 -4.922 -3.081 71 HD2 LYS 11 1HD LYS 11 -12.960 -4.004 -4.797 72 HD3 LYS 11 2HD LYS 11 -11.578 -3.625 -3.823 73 HE2 LYS 11 1HE LYS 11 -11.144 -5.443 -5.450 74 HE3 LYS 11 2HE LYS 11 -10.782 -5.841 -3.771 75 HZ1 LYS 11 3HZ LYS 11 -12.808 -7.098 -3.644 76 HZ2 LYS 11 1HZ LYS 11 -11.926 -7.629 -4.925 77 HZ3 LYS 11 2HZ LYS 11 -13.232 -6.673 -5.185 78 H GLU 12 H GLU 12 -11.618 -2.814 1.217 79 HA GLU 12 HA GLU 12 -11.833 -0.099 1.977 80 HB2 GLU 12 1HB GLU 12 -13.834 -0.413 3.430 81 HB3 GLU 12 2HB GLU 12 -14.234 -0.459 1.737 82 HG2 GLU 12 1HG GLU 12 -13.970 -3.097 2.059 83 HG3 GLU 12 2HG GLU 12 -14.090 -2.719 3.763 84 H PHE 13 H PHE 13 -11.495 -0.051 4.387 85 HA PHE 13 HA PHE 13 -11.200 -2.339 5.963 86 HB2 PHE 13 1HB PHE 13 -8.837 -2.560 6.312 87 HB3 PHE 13 2HB PHE 13 -9.102 -2.785 4.625 88 HD1 PHE 13 2HD PHE 13 -8.598 -0.821 3.020 89 HD2 PHE 13 1HD PHE 13 -7.303 -0.962 7.127 90 HE1 PHE 13 2HE PHE 13 -6.814 0.853 2.528 91 HE2 PHE 13 1HE PHE 13 -5.582 0.751 6.640 92 HZ PHE 13 HZ PHE 13 -5.314 1.629 4.349 93 H THR 14 H THR 14 -9.830 -1.665 8.031 94 HA THR 14 HA THR 14 -9.757 1.222 8.491 95 HB THR 14 HB THR 14 -10.790 -0.638 10.651 96 HG1 THR 14 1HG THR 14 -12.420 -0.615 9.119 97 HG21 THR 14 3HG2 THR 14 -11.127 2.365 10.448 98 HG22 THR 14 1HG2 THR 14 -9.795 1.588 11.328 99 HG23 THR 14 2HG2 THR 14 -11.466 1.315 11.832 100 H ALA 15 H ALA 15 -7.877 1.718 9.668 101 HA ALA 15 HA ALA 15 -6.552 -0.268 11.275 102 HB1 ALA 15 1HB ALA 15 -5.428 -0.664 9.061 103 HB2 ALA 15 2HB ALA 15 -5.013 1.069 8.996 104 HB3 ALA 15 3HB ALA 15 -4.334 0.034 10.269 105 H ASP 16 H ASP 16 -5.045 0.935 12.756 106 HA ASP 16 HA ASP 16 -4.624 2.685 14.152 107 HB2 ASP 16 1HB ASP 16 -3.407 3.051 11.911 108 HB3 ASP 16 2HB ASP 16 -4.578 4.334 11.617 109 H PHE 17 H PHE 17 -7.388 2.324 13.475 110 HA PHE 17 HA PHE 17 -9.452 3.142 13.968 111 HB2 PHE 17 1HB PHE 17 -8.185 5.487 15.380 112 HB3 PHE 17 2HB PHE 17 -9.736 4.718 15.676 113 HD1 PHE 17 1HD PHE 17 -6.067 4.427 16.156 114 HD2 PHE 17 2HD PHE 17 -9.902 2.640 16.942 115 HE1 PHE 17 1HE PHE 17 -5.026 2.939 17.805 116 HE2 PHE 17 2HE PHE 17 -8.886 1.244 18.735 117 HZ PHE 17 HZ PHE 17 -6.383 1.353 19.095 118 H THR 18 H THR 18 -8.091 3.877 11.481 119 HA THR 18 HA THR 18 -9.663 6.264 10.728 120 HB THR 18 HB THR 18 -6.933 5.443 9.643 121 HG1 THR 18 1HG THR 18 -7.621 7.335 11.643 122 HG21 THR 18 3HG2 THR 18 -6.917 7.688 8.647 123 HG22 THR 18 1HG2 THR 18 -8.505 8.050 9.358 124 HG23 THR 18 2HG2 THR 18 -8.353 6.801 8.105 125 H GLN 19 H GLN 19 -10.870 5.893 8.893 126 HA GLN 19 HA GLN 19 -10.962 3.053 7.982 127 HB2 GLN 19 1HB GLN 19 -12.826 3.923 9.379 128 HB3 GLN 19 2HB GLN 19 -13.165 5.163 8.156 129 HG2 GLN 19 1HG GLN 19 -13.902 3.583 6.594 130 HG3 GLN 19 2HG GLN 19 -12.966 2.269 7.322 131 HE21 GLN 19 1HE2 GLN 19 -13.875 0.946 8.774 132 HE22 GLN 19 2HE2 GLN 19 -15.576 1.076 9.209 133 H PHE 20 H PHE 20 -11.422 2.615 5.830 134 HA PHE 20 HA PHE 20 -10.551 4.714 3.900 135 HB2 PHE 20 1HB PHE 20 -9.230 2.034 4.550 136 HB3 PHE 20 2HB PHE 20 -8.742 3.105 3.266 137 HD1 PHE 20 2HD PHE 20 -8.235 5.659 4.121 138 HD2 PHE 20 1HD PHE 20 -8.082 2.158 6.612 139 HE1 PHE 20 2HE PHE 20 -6.586 6.770 5.555 140 HE2 PHE 20 1HE PHE 20 -6.393 3.288 8.082 141 HZ PHE 20 HZ PHE 20 -5.610 5.572 7.514 142 H HIS 21 H HIS 21 -10.979 4.278 1.756 143 HA HIS 21 HA HIS 21 -12.361 1.797 0.979 144 HB2 HIS 21 1HB HIS 21 -13.491 4.545 0.375 145 HB3 HIS 21 2HB HIS 21 -14.218 2.978 0.085 146 HD1 HIS 21 1HD HIS 21 -13.620 5.485 2.933 147 HD2 HIS 21 2HD HIS 21 -15.591 1.848 2.080 148 HE1 HIS 21 1HE HIS 21 -15.097 4.969 4.957 149 H ILE 22 H ILE 22 -12.647 1.959 -1.592 150 HA ILE 22 HA ILE 22 -10.030 2.725 -2.678 151 HB ILE 22 HB ILE 22 -12.543 1.657 -4.032 152 HG12 ILE 22 1HG1 ILE 22 -11.590 -0.003 -2.525 153 HG13 ILE 22 2HG1 ILE 22 -11.482 -0.482 -4.205 154 HG21 ILE 22 1HG2 ILE 22 -9.739 2.085 -5.160 155 HG22 ILE 22 2HG2 ILE 22 -11.032 1.160 -5.965 156 HG23 ILE 22 3HG2 ILE 22 -11.230 2.890 -5.661 157 HD11 ILE 22 3HD1 ILE 22 -9.083 0.046 -4.242 158 HD12 ILE 22 1HD1 ILE 22 -9.170 0.645 -2.569 159 HD13 ILE 22 2HD1 ILE 22 -9.453 -1.073 -2.920 160 H GLY 23 H GLY 23 -9.600 4.775 -3.207 161 HA2 GLY 23 2HA GLY 23 -10.021 6.727 -4.509 162 HA3 GLY 23 1HA GLY 23 -11.753 6.515 -4.297 163 H ASP 24 H ASP 24 -10.783 5.983 -1.209 164 HA ASP 24 HA ASP 24 -11.027 8.775 -0.324 165 HB2 ASP 24 1HB ASP 24 -10.529 6.116 1.067 166 HB3 ASP 24 2HB ASP 24 -10.383 7.650 1.914 167 H THR 25 H THR 25 -8.853 9.328 1.429 168 HA THR 25 HA THR 25 -6.439 8.769 -0.137 169 HB THR 25 HB THR 25 -5.988 11.023 1.200 170 HG1 THR 25 1HG THR 25 -8.683 11.350 0.463 171 HG21 THR 25 3HG2 THR 25 -7.323 11.162 -1.546 172 HG22 THR 25 1HG2 THR 25 -5.605 10.786 -1.299 173 HG23 THR 25 2HG2 THR 25 -6.226 12.367 -0.866 174 H VAL 26 H VAL 26 -4.523 8.676 1.247 175 HA VAL 26 HA VAL 26 -5.086 7.506 3.894 176 HB VAL 26 HB VAL 26 -2.754 6.880 3.826 177 HG11 VAL 26 1HG1 VAL 26 -2.896 5.331 2.073 178 HG12 VAL 26 2HG1 VAL 26 -4.576 5.723 2.424 179 HG13 VAL 26 3HG1 VAL 26 -3.806 6.450 1.009 180 HG21 VAL 26 3HG2 VAL 26 -1.229 7.414 2.019 181 HG22 VAL 26 1HG2 VAL 26 -2.442 8.445 1.241 182 HG23 VAL 26 2HG2 VAL 26 -1.761 8.898 2.804 183 HA PRO 27 HA PRO 27 -3.533 11.060 6.224 184 HB2 PRO 27 1HB PRO 27 -2.240 9.942 8.309 185 HB3 PRO 27 2HB PRO 27 -3.964 9.877 8.209 186 HG2 PRO 27 1HG PRO 27 -2.115 7.724 7.257 187 HG3 PRO 27 2HG PRO 27 -3.557 7.544 8.328 188 HD2 PRO 27 1HD PRO 27 -3.766 7.019 5.728 189 HD3 PRO 27 2HD PRO 27 -5.035 7.970 6.551 190 H ALA 28 H ALA 28 -1.466 12.124 6.706 191 HA ALA 28 HA ALA 28 0.430 11.815 4.658 192 HB1 ALA 28 1HB ALA 28 1.706 13.508 5.940 193 HB2 ALA 28 2HB ALA 28 -0.004 13.938 5.776 194 HB3 ALA 28 3HB ALA 28 0.611 13.293 7.317 195 H MET 29 H MET 29 0.338 10.422 7.862 196 HA MET 29 HA MET 29 2.917 9.639 8.317 197 HB2 MET 29 1HB MET 29 1.900 7.723 9.645 198 HB3 MET 29 2HB MET 29 1.182 9.296 9.954 199 HG2 MET 29 1HG MET 29 -0.649 8.852 8.544 200 HG3 MET 29 2HG MET 29 -0.083 7.240 8.265 201 HE1 MET 29 3HE MET 29 -0.486 9.747 11.320 202 HE2 MET 29 1HE MET 29 -2.145 9.613 10.686 203 HE3 MET 29 2HE MET 29 -1.731 8.921 12.268 204 H TYR 30 H TYR 30 0.853 8.320 5.856 205 HA TYR 30 HA TYR 30 2.756 6.027 5.484 206 HB2 TYR 30 1HB TYR 30 -0.014 6.388 4.361 207 HB3 TYR 30 2HB TYR 30 0.956 4.926 4.365 208 HD1 TYR 30 1HD TYR 30 1.963 5.158 7.358 209 HD2 TYR 30 2HD TYR 30 -1.923 5.745 5.576 210 HE1 TYR 30 1HE TYR 30 0.900 4.709 9.515 211 HE2 TYR 30 2HE TYR 30 -2.994 5.119 7.701 212 HH TYR 30 HH TYR 30 -1.581 5.225 10.565 213 H LEU 31 H LEU 31 2.599 9.099 4.269 214 HA LEU 31 HA LEU 31 3.145 8.391 1.453 215 HB2 LEU 31 1HB LEU 31 3.132 10.968 3.077 216 HB3 LEU 31 2HB LEU 31 3.900 10.918 1.504 217 HG LEU 31 HG LEU 31 1.602 11.815 1.504 218 HD11 LEU 31 1HD1 LEU 31 2.618 10.997 -0.565 219 HD12 LEU 31 2HD1 LEU 31 0.871 10.686 -0.547 220 HD13 LEU 31 3HD1 LEU 31 2.004 9.367 -0.226 221 HD21 LEU 31 3HD2 LEU 31 -0.342 10.412 1.590 222 HD22 LEU 31 1HD2 LEU 31 0.554 10.234 3.109 223 HD23 LEU 31 2HD2 LEU 31 0.652 8.965 1.874 224 H THR 32 H THR 32 4.882 8.761 4.410 225 HA THR 32 HA THR 32 7.414 9.499 3.353 226 HB THR 32 HB THR 32 6.979 9.951 5.617 227 HG1 THR 32 1HG THR 32 8.675 9.148 6.646 228 HG21 THR 32 3HG2 THR 32 5.353 8.254 6.185 229 HG22 THR 32 1HG2 THR 32 6.681 8.193 7.347 230 HG23 THR 32 2HG2 THR 32 6.598 6.981 6.049 231 HA PRO 33 HA PRO 33 8.884 5.758 1.550 232 HB2 PRO 33 1HB PRO 33 11.616 6.015 1.844 233 HB3 PRO 33 2HB PRO 33 10.614 6.950 0.691 234 HG2 PRO 33 1HG PRO 33 11.518 7.784 3.469 235 HG3 PRO 33 2HG PRO 33 11.656 8.708 1.929 236 HD2 PRO 33 1HD PRO 33 9.631 9.124 3.666 237 HD3 PRO 33 2HD PRO 33 9.318 9.121 1.902 238 H GLU 34 H GLU 34 9.116 6.249 4.887 239 HA GLU 34 HA GLU 34 10.665 4.082 5.849 240 HB2 GLU 34 1HB GLU 34 8.388 5.753 6.842 241 HB3 GLU 34 2HB GLU 34 8.523 4.196 7.619 242 HG2 GLU 34 1HG GLU 34 10.803 6.194 7.398 243 HG3 GLU 34 2HG GLU 34 9.731 6.067 8.773 244 H TYR 35 H TYR 35 7.296 4.135 4.683 245 HA TYR 35 HA TYR 35 7.056 1.234 5.206 246 HB2 TYR 35 1HB TYR 35 4.973 3.256 4.305 247 HB3 TYR 35 2HB TYR 35 4.674 1.627 4.900 248 HD1 TYR 35 2HD TYR 35 5.163 1.037 7.314 249 HD2 TYR 35 1HD TYR 35 5.402 5.086 5.831 250 HE1 TYR 35 2HE TYR 35 5.183 1.889 9.640 251 HE2 TYR 35 1HE TYR 35 5.488 5.924 8.147 252 HH TYR 35 HH TYR 35 4.555 4.123 10.838 253 H ASN 36 H ASN 36 7.860 3.198 2.655 254 HA ASN 36 HA ASN 36 6.406 2.296 0.420 255 HB2 ASN 36 1HB ASN 36 7.640 4.381 0.465 256 HB3 ASN 36 2HB ASN 36 9.192 3.502 0.482 257 HD21 ASN 36 1HD2 ASN 36 8.748 5.423 -1.520 258 HD22 ASN 36 2HD2 ASN 36 8.291 4.612 -2.999 259 H ILE 37 H ILE 37 6.226 0.221 -0.071 260 HA ILE 37 HA ILE 37 8.479 -1.657 -0.156 261 HB ILE 37 HB ILE 37 5.603 -2.096 -1.028 262 HG12 ILE 37 1HG1 ILE 37 6.789 -2.892 1.668 263 HG13 ILE 37 2HG1 ILE 37 5.782 -1.460 1.426 264 HG21 ILE 37 1HG2 ILE 37 7.808 -4.085 -0.251 265 HG22 ILE 37 2HG2 ILE 37 6.176 -4.491 -0.838 266 HG23 ILE 37 3HG2 ILE 37 7.308 -3.713 -1.912 267 HD11 ILE 37 3HD1 ILE 37 3.993 -2.871 0.484 268 HD12 ILE 37 1HD1 ILE 37 4.936 -4.300 0.987 269 HD13 ILE 37 2HD1 ILE 37 4.360 -3.160 2.196 270 H LYS 38 H LYS 38 9.582 -0.235 -1.577 271 HA LYS 38 HA LYS 38 8.750 0.142 -4.333 272 HB2 LYS 38 1HB LYS 38 11.584 -0.110 -3.241 273 HB3 LYS 38 2HB LYS 38 11.157 0.375 -4.887 274 HG2 LYS 38 1HG LYS 38 9.859 2.311 -3.980 275 HG3 LYS 38 2HG LYS 38 10.377 1.858 -2.342 276 HD2 LYS 38 1HD LYS 38 12.742 2.128 -3.028 277 HD3 LYS 38 2HD LYS 38 12.210 2.670 -4.630 278 HE2 LYS 38 1HE LYS 38 11.164 4.052 -2.148 279 HE3 LYS 38 2HE LYS 38 12.812 4.381 -2.681 280 HZ1 LYS 38 3HZ LYS 38 12.034 5.201 -4.733 281 HZ2 LYS 38 1HZ LYS 38 11.134 5.931 -3.558 282 HZ3 LYS 38 2HZ LYS 38 10.493 4.730 -4.487 283 H GLN 39 H GLN 39 10.018 -2.646 -2.581 284 HA GLN 39 HA GLN 39 10.615 -4.186 -4.941 285 HB2 GLN 39 1HB GLN 39 10.267 -5.082 -2.040 286 HB3 GLN 39 2HB GLN 39 10.939 -6.049 -3.353 287 HG2 GLN 39 1HG GLN 39 12.131 -3.582 -2.064 288 HG3 GLN 39 2HG GLN 39 12.753 -5.231 -2.033 289 HE21 GLN 39 1HE2 GLN 39 13.744 -2.478 -3.161 290 HE22 GLN 39 2HE2 GLN 39 14.284 -2.888 -4.789 291 H TRP 40 H TRP 40 8.474 -3.810 -6.044 292 HA TRP 40 HA TRP 40 6.500 -5.834 -5.088 293 HB2 TRP 40 1HB TRP 40 4.863 -4.897 -6.565 294 HB3 TRP 40 2HB TRP 40 5.511 -3.684 -5.523 295 HD1 TRP 40 HD TRP 40 6.938 -1.723 -6.775 296 HE1 TRP 40 1HE TRP 40 7.296 -1.089 -9.252 297 HE3 TRP 40 3HE TRP 40 4.946 -5.882 -8.993 298 HZ2 TRP 40 2HZ TRP 40 6.697 -2.184 -11.846 299 HZ3 TRP 40 3HZ TRP 40 5.022 -6.132 -11.467 300 HH2 TRP 40 HH TRP 40 5.899 -4.306 -12.893 301 H GLN 41 H GLN 41 9.115 -5.456 -7.372 302 HA GLN 41 HA GLN 41 8.075 -7.313 -9.336 303 HB2 GLN 41 1HB GLN 41 10.235 -5.452 -9.114 304 HB3 GLN 41 2HB GLN 41 10.976 -7.035 -9.352 305 HG2 GLN 41 1HG GLN 41 8.827 -5.809 -11.125 306 HG3 GLN 41 2HG GLN 41 10.561 -5.782 -11.447 307 HE21 GLN 41 1HE2 GLN 41 11.675 -7.945 -11.738 308 HE22 GLN 41 2HE2 GLN 41 10.773 -9.335 -12.237 309 H GLN 42 H GLN 42 9.119 -7.865 -6.175 310 HA GLN 42 HA GLN 42 9.582 -10.720 -6.792 311 HB2 GLN 42 1HB GLN 42 10.884 -8.917 -4.714 312 HB3 GLN 42 2HB GLN 42 10.972 -10.669 -4.698 313 HG2 GLN 42 1HG GLN 42 11.855 -10.457 -7.126 314 HG3 GLN 42 2HG GLN 42 12.213 -8.795 -6.638 315 HE21 GLN 42 1HE2 GLN 42 13.444 -11.893 -6.791 316 HE22 GLN 42 2HE2 GLN 42 14.677 -11.825 -5.556 317 H ARG 43 H ARG 43 7.122 -8.953 -6.012 318 HA ARG 43 HA ARG 43 6.255 -10.588 -3.687 319 HB2 ARG 43 1HB ARG 43 5.985 -7.599 -4.098 320 HB3 ARG 43 2HB ARG 43 4.855 -8.461 -3.099 321 HG2 ARG 43 1HG ARG 43 7.869 -8.274 -2.652 322 HG3 ARG 43 2HG ARG 43 6.643 -7.308 -1.843 323 HD2 ARG 43 1HD ARG 43 7.353 -10.202 -1.485 324 HD3 ARG 43 2HD ARG 43 7.196 -8.949 -0.260 325 HE ARG 43 HE ARG 43 5.188 -10.732 -1.258 326 HH11 ARG 43 1HH1 ARG 43 5.449 -7.485 0.169 327 HH12 ARG 43 2HH1 ARG 43 3.758 -7.196 0.159 328 HH21 ARG 43 1HH2 ARG 43 3.033 -10.562 -0.907 329 HH22 ARG 43 2HH2 ARG 43 2.335 -9.165 -0.108 330 H ASN 44 H ASN 44 3.716 -10.371 -3.631 331 HA ASN 44 HA ASN 44 2.983 -11.583 -6.199 332 HB2 ASN 44 1HB ASN 44 1.794 -11.472 -3.425 333 HB3 ASN 44 2HB ASN 44 0.767 -11.922 -4.791 334 HD21 ASN 44 1HD2 ASN 44 0.495 -14.135 -4.519 335 HD22 ASN 44 2HD2 ASN 44 1.849 -15.231 -4.720 336 H LEU 45 H LEU 45 2.740 -8.438 -4.981 337 HA LEU 45 HA LEU 45 0.020 -7.789 -5.681 338 HB2 LEU 45 1HB LEU 45 2.459 -6.035 -5.112 339 HB3 LEU 45 2HB LEU 45 0.955 -5.379 -5.462 340 HG LEU 45 HG LEU 45 1.390 -5.331 -3.086 341 HD11 LEU 45 1HD1 LEU 45 -0.796 -7.334 -3.675 342 HD12 LEU 45 2HD1 LEU 45 -0.920 -5.563 -3.669 343 HD13 LEU 45 3HD1 LEU 45 -0.578 -6.433 -2.158 344 HD21 LEU 45 3HD2 LEU 45 1.543 -8.337 -2.954 345 HD22 LEU 45 1HD2 LEU 45 1.758 -7.163 -1.648 346 HD23 LEU 45 2HD2 LEU 45 2.940 -7.213 -2.972 347 HA PRO 46 HA PRO 46 0.748 -6.698 -9.989 348 HB2 PRO 46 1HB PRO 46 -1.090 -4.619 -10.247 349 HB3 PRO 46 2HB PRO 46 -1.502 -6.370 -10.308 350 HG2 PRO 46 1HG PRO 46 -1.721 -4.411 -8.035 351 HG3 PRO 46 2HG PRO 46 -2.842 -5.701 -8.503 352 HD2 PRO 46 1HD PRO 46 -1.097 -5.934 -6.438 353 HD3 PRO 46 2HD PRO 46 -1.607 -7.332 -7.430 354 H ALA 47 H ALA 47 1.395 -4.840 -11.289 355 HA ALA 47 HA ALA 47 3.394 -3.204 -10.098 356 HB1 ALA 47 1HB ALA 47 1.887 -2.741 -12.716 357 HB2 ALA 47 2HB ALA 47 3.455 -2.039 -12.256 358 HB3 ALA 47 3HB ALA 47 3.305 -3.794 -12.520 359 HA PRO 48 HA PRO 48 0.787 0.168 -8.609 360 HB2 PRO 48 1HB PRO 48 2.637 2.161 -8.269 361 HB3 PRO 48 2HB PRO 48 2.567 0.710 -7.218 362 HG2 PRO 48 1HG PRO 48 4.397 1.210 -9.551 363 HG3 PRO 48 2HG PRO 48 4.805 0.573 -7.931 364 HD2 PRO 48 1HD PRO 48 4.366 -1.036 -10.119 365 HD3 PRO 48 2HD PRO 48 3.959 -1.551 -8.452 366 H ASP 49 H ASP 49 0.476 2.633 -9.205 367 HA ASP 49 HA ASP 49 0.222 2.861 -12.141 368 HB2 ASP 49 1HB ASP 49 -1.314 3.879 -9.856 369 HB3 ASP 49 2HB ASP 49 -0.835 5.180 -10.899 370 H ALA 50 H ALA 50 0.540 5.294 -12.753 371 HA ALA 50 HA ALA 50 3.351 5.729 -12.863 372 HB1 ALA 50 1HB ALA 50 2.588 7.798 -14.055 373 HB2 ALA 50 2HB ALA 50 1.733 6.323 -14.601 374 HB3 ALA 50 3HB ALA 50 0.926 7.461 -13.502 375 H GLY 51 H GLY 51 4.346 6.132 -10.798 376 HA2 GLY 51 2HA GLY 51 5.046 7.524 -9.087 377 HA3 GLY 51 1HA GLY 51 3.938 8.789 -9.654 378 H SER 52 H SER 52 3.396 5.367 -8.593 379 HA SER 52 HA SER 52 2.433 6.344 -6.037 380 HB2 SER 52 1HB SER 52 0.639 4.529 -6.052 381 HB3 SER 52 2HB SER 52 0.279 5.958 -7.013 382 HG SER 52 HG SER 52 0.857 4.922 -8.832 383 H HIS 53 H HIS 53 2.398 4.354 -4.485 384 HA HIS 53 HA HIS 53 4.075 2.152 -5.388 385 HB2 HIS 53 1HB HIS 53 5.728 2.450 -3.686 386 HB3 HIS 53 2HB HIS 53 5.794 3.793 -4.825 387 HD1 HIS 53 1HD HIS 53 5.224 6.333 -3.708 388 HD2 HIS 53 2HD HIS 53 5.005 2.947 -1.183 389 HE1 HIS 53 1HE HIS 53 5.256 7.177 -1.353 390 H TRP 54 H TRP 54 4.159 0.425 -3.887 391 HA TRP 54 HA TRP 54 1.760 0.176 -2.294 392 HB2 TRP 54 1HB TRP 54 4.090 -1.680 -2.878 393 HB3 TRP 54 2HB TRP 54 2.751 -2.113 -1.829 394 HD1 TRP 54 HD TRP 54 3.667 -1.934 -5.491 395 HE1 TRP 54 1HE TRP 54 1.651 -2.846 -6.916 396 HE3 TRP 54 3HE TRP 54 0.068 -2.203 -1.882 397 HZ2 TRP 54 2HZ TRP 54 -1.142 -2.947 -6.652 398 HZ3 TRP 54 3HZ TRP 54 -2.303 -2.650 -2.492 399 HH2 TRP 54 HH TRP 54 -2.924 -2.971 -4.892 400 H THR 55 H THR 55 1.682 0.115 0.037 401 HA THR 55 HA THR 55 4.236 0.210 1.495 402 HB THR 55 HB THR 55 3.473 1.776 3.069 403 HG1 THR 55 1HG THR 55 1.541 2.148 3.465 404 HG21 THR 55 3HG2 THR 55 2.718 2.945 0.382 405 HG22 THR 55 1HG2 THR 55 4.347 2.898 1.095 406 HG23 THR 55 2HG2 THR 55 3.074 3.853 1.863 407 H TYR 56 H TYR 56 3.751 -0.377 3.892 408 HA TYR 56 HA TYR 56 1.806 -2.640 3.970 409 HB2 TYR 56 1HB TYR 56 4.442 -2.730 4.321 410 HB3 TYR 56 2HB TYR 56 4.068 -2.211 5.936 411 HD1 TYR 56 1HD TYR 56 1.294 -4.131 5.611 412 HD2 TYR 56 2HD TYR 56 5.564 -4.588 5.336 413 HE1 TYR 56 1HE TYR 56 1.086 -6.504 6.289 414 HE2 TYR 56 2HE TYR 56 5.366 -6.967 6.036 415 HH TYR 56 HH TYR 56 3.821 -8.556 7.104 416 H MET 57 H MET 57 -0.150 -2.040 5.094 417 HA MET 57 HA MET 57 -0.006 0.158 7.039 418 HB2 MET 57 1HB MET 57 -1.782 -0.357 5.093 419 HB3 MET 57 2HB MET 57 -2.393 -1.482 6.294 420 HG2 MET 57 1HG MET 57 -3.543 0.206 7.183 421 HG3 MET 57 2HG MET 57 -2.006 0.868 7.723 422 HE1 MET 57 3HE MET 57 -0.560 2.640 6.318 423 HE2 MET 57 1HE MET 57 -0.652 1.592 4.886 424 HE3 MET 57 2HE MET 57 -1.101 3.296 4.752 425 H GLY 58 H GLY 58 -2.199 -0.865 8.507 426 HA2 GLY 58 2HA GLY 58 -1.509 -2.218 10.720 427 HA3 GLY 58 1HA GLY 58 -3.109 -2.106 10.059 428 H GLY 59 H GLY 59 -1.040 -3.815 8.009 429 HA2 GLY 59 2HA GLY 59 -0.484 -6.172 8.407 430 HA3 GLY 59 1HA GLY 59 -2.212 -6.435 8.752 431 H ASN 60 H ASN 60 -2.631 -4.195 6.606 432 HA ASN 60 HA ASN 60 -2.819 -6.030 4.309 433 HB2 ASN 60 1HB ASN 60 -4.394 -4.354 3.431 434 HB3 ASN 60 2HB ASN 60 -4.805 -4.856 5.058 435 HD21 ASN 60 1HD2 ASN 60 -5.222 -3.244 6.736 436 HD22 ASN 60 2HD2 ASN 60 -4.806 -1.621 6.360 437 H TYR 61 H TYR 61 -2.392 -5.041 2.147 438 HA TYR 61 HA TYR 61 0.053 -3.344 2.140 439 HB2 TYR 61 1HB TYR 61 -0.894 -5.488 0.184 440 HB3 TYR 61 2HB TYR 61 0.419 -4.367 -0.137 441 HD1 TYR 61 2HD TYR 61 2.311 -4.265 1.695 442 HD2 TYR 61 1HD TYR 61 -0.385 -7.554 1.151 443 HE1 TYR 61 2HE TYR 61 4.000 -5.768 2.719 444 HE2 TYR 61 1HE TYR 61 1.268 -9.089 2.194 445 HH TYR 61 HH TYR 61 4.304 -7.952 3.665 446 H VAL 62 H VAL 62 -0.312 -1.351 1.186 447 HA VAL 62 HA VAL 62 -2.810 -1.044 -0.433 448 HB VAL 62 HB VAL 62 -2.887 1.224 0.782 449 HG11 VAL 62 1HG1 VAL 62 -4.018 0.100 2.808 450 HG12 VAL 62 2HG1 VAL 62 -4.628 -0.270 1.180 451 HG13 VAL 62 3HG1 VAL 62 -3.567 -1.425 2.025 452 HG21 VAL 62 3HG2 VAL 62 -1.403 -0.313 2.916 453 HG22 VAL 62 1HG2 VAL 62 -0.672 0.940 1.836 454 HG23 VAL 62 2HG2 VAL 62 -1.991 1.368 2.957 455 H LEU 63 H LEU 63 -2.800 0.755 -1.676 456 HA LEU 63 HA LEU 63 -0.091 1.412 -2.854 457 HB2 LEU 63 1HB LEU 63 -1.293 -0.146 -4.311 458 HB3 LEU 63 2HB LEU 63 -2.707 0.903 -4.307 459 HG LEU 63 HG LEU 63 -1.403 2.658 -5.482 460 HD11 LEU 63 1HD1 LEU 63 0.845 2.280 -4.822 461 HD12 LEU 63 2HD1 LEU 63 0.769 2.037 -6.543 462 HD13 LEU 63 3HD1 LEU 63 0.859 0.623 -5.455 463 HD21 LEU 63 3HD2 LEU 63 -1.226 0.017 -6.966 464 HD22 LEU 63 1HD2 LEU 63 -1.415 1.673 -7.628 465 HD23 LEU 63 2HD2 LEU 63 -2.728 0.925 -6.721 466 H ILE 64 H ILE 64 0.385 3.548 -2.818 467 HA ILE 64 HA ILE 64 -1.841 5.514 -2.686 468 HB ILE 64 HB ILE 64 -0.481 6.789 -1.110 469 HG12 ILE 64 1HG1 ILE 64 1.161 4.589 -0.069 470 HG13 ILE 64 2HG1 ILE 64 1.646 5.009 -1.707 471 HG21 ILE 64 1HG2 ILE 64 -0.992 5.444 0.856 472 HG22 ILE 64 2HG2 ILE 64 -2.303 5.392 -0.352 473 HG23 ILE 64 3HG2 ILE 64 -1.190 4.000 -0.138 474 HD11 ILE 64 3HD1 ILE 64 1.310 7.049 0.513 475 HD12 ILE 64 1HD1 ILE 64 2.850 6.308 0.042 476 HD13 ILE 64 2HD1 ILE 64 1.971 7.316 -1.127 477 H THR 65 H THR 65 -1.677 7.231 -4.005 478 HA THR 65 HA THR 65 0.494 7.539 -5.837 479 HB THR 65 HB THR 65 -0.866 9.985 -5.752 480 HG1 THR 65 1HG THR 65 -3.058 9.214 -5.829 481 HG21 THR 65 3HG2 THR 65 -2.110 9.046 -7.724 482 HG22 THR 65 1HG2 THR 65 -1.439 7.456 -7.341 483 HG23 THR 65 2HG2 THR 65 -0.362 8.827 -7.764 484 H ASP 66 H ASP 66 2.330 8.644 -5.752 485 HA ASP 66 HA ASP 66 3.276 9.859 -3.319 486 HB2 ASP 66 1HB ASP 66 4.194 9.480 -6.135 487 HB3 ASP 66 2HB ASP 66 4.752 10.973 -5.396 488 H THR 67 H THR 67 0.847 11.011 -5.329 489 HA THR 67 HA THR 67 1.597 13.871 -5.131 490 HB THR 67 HB THR 67 2.363 12.766 -7.177 491 HG1 THR 67 1HG THR 67 1.928 14.815 -7.321 492 HG21 THR 67 3HG2 THR 67 -0.543 12.063 -7.669 493 HG22 THR 67 1HG2 THR 67 0.846 10.968 -7.557 494 HG23 THR 67 2HG2 THR 67 0.710 12.071 -8.922 495 H GLU 68 H GLU 68 -0.390 11.956 -3.744 496 HA GLU 68 HA GLU 68 -2.629 13.639 -3.486 497 HB2 GLU 68 1HB GLU 68 -3.097 12.711 -5.790 498 HB3 GLU 68 2HB GLU 68 -3.196 11.108 -5.121 499 HG2 GLU 68 1HG GLU 68 -5.228 11.609 -4.039 500 HG3 GLU 68 2HG GLU 68 -4.908 13.351 -4.099 501 H GLY 69 H GLY 69 -1.097 10.421 -3.240 502 HA2 GLY 69 2HA GLY 69 -1.375 8.640 -1.970 503 HA3 GLY 69 1HA GLY 69 -1.718 9.701 -0.646 504 H LYS 70 H LYS 70 -3.579 9.285 -3.665 505 HA LYS 70 HA LYS 70 -6.030 8.766 -2.165 506 HB2 LYS 70 1HB LYS 70 -5.629 9.680 -4.750 507 HB3 LYS 70 2HB LYS 70 -6.007 7.994 -5.026 508 HG2 LYS 70 1HG LYS 70 -8.072 8.157 -3.839 509 HG3 LYS 70 2HG LYS 70 -7.666 9.706 -3.145 510 HD2 LYS 70 1HD LYS 70 -9.398 9.984 -4.726 511 HD3 LYS 70 2HD LYS 70 -7.975 10.842 -5.253 512 HE2 LYS 70 1HE LYS 70 -8.856 8.108 -6.312 513 HE3 LYS 70 2HE LYS 70 -9.267 9.653 -7.058 514 HZ1 LYS 70 3HZ LYS 70 -7.391 8.875 -8.179 515 HZ2 LYS 70 1HZ LYS 70 -6.609 8.467 -6.813 516 HZ3 LYS 70 2HZ LYS 70 -6.803 10.060 -7.163 517 H ILE 71 H ILE 71 -7.096 6.761 -2.149 518 HA ILE 71 HA ILE 71 -5.225 4.541 -1.841 519 HB ILE 71 HB ILE 71 -8.172 4.937 -1.173 520 HG12 ILE 71 1HG1 ILE 71 -5.608 4.902 0.492 521 HG13 ILE 71 2HG1 ILE 71 -6.483 6.336 0.107 522 HG21 ILE 71 1HG2 ILE 71 -7.717 2.530 -1.562 523 HG22 ILE 71 2HG2 ILE 71 -6.335 2.590 -0.453 524 HG23 ILE 71 3HG2 ILE 71 -7.991 2.838 0.143 525 HD11 ILE 71 3HD1 ILE 71 -7.018 5.835 2.308 526 HD12 ILE 71 1HD1 ILE 71 -8.463 5.356 1.389 527 HD13 ILE 71 2HD1 ILE 71 -7.311 4.118 1.962 528 H LEU 72 H LEU 72 -4.610 4.304 -4.015 529 HA LEU 72 HA LEU 72 -6.417 3.985 -6.167 530 HB2 LEU 72 1HB LEU 72 -3.642 2.785 -5.822 531 HB3 LEU 72 2HB LEU 72 -4.523 2.943 -7.326 532 HG LEU 72 HG LEU 72 -3.001 4.666 -7.440 533 HD11 LEU 72 1HD1 LEU 72 -5.334 5.563 -7.778 534 HD12 LEU 72 2HD1 LEU 72 -4.120 6.774 -7.335 535 HD13 LEU 72 3HD1 LEU 72 -5.256 6.165 -6.109 536 HD21 LEU 72 3HD2 LEU 72 -3.041 4.849 -4.575 537 HD22 LEU 72 1HD2 LEU 72 -2.619 6.261 -5.553 538 HD23 LEU 72 2HD2 LEU 72 -1.742 4.738 -5.763 539 H LYS 73 H LYS 73 -4.790 1.568 -4.048 540 HA LYS 73 HA LYS 73 -6.929 -0.371 -4.566 541 HB2 LYS 73 1HB LYS 73 -4.018 -0.924 -5.290 542 HB3 LYS 73 2HB LYS 73 -5.295 -2.147 -5.212 543 HG2 LYS 73 1HG LYS 73 -6.516 -0.946 -7.062 544 HG3 LYS 73 2HG LYS 73 -5.176 0.209 -7.150 545 HD2 LYS 73 1HD LYS 73 -4.671 -1.290 -8.859 546 HD3 LYS 73 2HD LYS 73 -3.624 -1.729 -7.506 547 HE2 LYS 73 1HE LYS 73 -4.435 -3.776 -8.408 548 HE3 LYS 73 2HE LYS 73 -5.284 -3.516 -6.876 549 HZ1 LYS 73 3HZ LYS 73 -6.874 -2.383 -8.819 550 HZ2 LYS 73 1HZ LYS 73 -7.108 -3.846 -8.069 551 HZ3 LYS 73 2HZ LYS 73 -6.312 -3.760 -9.496 552 H VAL 74 H VAL 74 -6.707 -2.273 -3.127 553 HA VAL 74 HA VAL 74 -4.825 -2.055 -0.876 554 HB VAL 74 HB VAL 74 -7.788 -2.714 -0.623 555 HG11 VAL 74 1HG1 VAL 74 -6.231 -3.725 1.092 556 HG12 VAL 74 2HG1 VAL 74 -5.798 -2.100 1.600 557 HG13 VAL 74 3HG1 VAL 74 -7.462 -2.656 1.764 558 HG21 VAL 74 3HG2 VAL 74 -6.457 -0.067 0.058 559 HG22 VAL 74 1HG2 VAL 74 -7.761 -0.355 -1.101 560 HG23 VAL 74 2HG2 VAL 74 -8.069 -0.569 0.619 561 H TYR 75 H TYR 75 -4.058 -4.142 -0.370 562 HA TYR 75 HA TYR 75 -5.682 -6.448 -1.192 563 HB2 TYR 75 1HB TYR 75 -2.725 -6.087 -1.681 564 HB3 TYR 75 2HB TYR 75 -3.383 -7.686 -1.452 565 HD1 TYR 75 1HD TYR 75 -5.037 -8.657 -3.093 566 HD2 TYR 75 2HD TYR 75 -3.137 -4.864 -3.698 567 HE1 TYR 75 1HE TYR 75 -5.754 -8.701 -5.451 568 HE2 TYR 75 2HE TYR 75 -3.798 -4.896 -6.103 569 HH TYR 75 HH TYR 75 -6.145 -6.271 -7.251 570 H ASP 76 H ASP 76 -5.493 -8.185 0.399 571 HA ASP 76 HA ASP 76 -4.792 -7.182 3.035 572 HB2 ASP 76 1HB ASP 76 -6.729 -8.735 2.537 573 HB3 ASP 76 2HB ASP 76 -5.536 -10.018 2.235 574 H GLY 77 H GLY 77 -3.323 -8.431 4.510 575 HA2 GLY 77 2HA GLY 77 -0.660 -8.692 3.419 576 HA3 GLY 77 1HA GLY 77 -1.179 -9.095 5.056 577 H GLU 78 H GLU 78 -3.275 -10.993 3.910 578 HA GLU 78 HA GLU 78 -1.824 -13.377 4.159 579 HB2 GLU 78 1HB GLU 78 -4.541 -12.729 2.994 580 HB3 GLU 78 2HB GLU 78 -3.959 -14.394 3.225 581 HG2 GLU 78 1HG GLU 78 -3.770 -14.102 5.607 582 HG3 GLU 78 2HG GLU 78 -4.093 -12.367 5.495 583 H ILE 79 H ILE 79 -2.157 -11.346 1.378 584 HA ILE 79 HA ILE 79 -1.558 -13.196 -0.682 585 HB ILE 79 HB ILE 79 -2.489 -10.823 -0.778 586 HG12 ILE 79 1HG1 ILE 79 -0.197 -11.231 -2.684 587 HG13 ILE 79 2HG1 ILE 79 -1.643 -12.219 -2.775 588 HG21 ILE 79 1HG2 ILE 79 -1.091 -8.925 -0.778 589 HG22 ILE 79 2HG2 ILE 79 -0.508 -9.860 0.597 590 HG23 ILE 79 3HG2 ILE 79 0.396 -9.885 -0.924 591 HD11 ILE 79 3HD1 ILE 79 -1.607 -10.201 -4.308 592 HD12 ILE 79 1HD1 ILE 79 -3.026 -10.303 -3.238 593 HD13 ILE 79 2HD1 ILE 79 -1.718 -9.173 -2.889 594 H PHE 80 H PHE 80 0.475 -11.986 1.891 595 HA PHE 80 HA PHE 80 2.979 -12.105 0.451 596 HB2 PHE 80 1HB PHE 80 2.646 -10.717 2.475 597 HB3 PHE 80 2HB PHE 80 2.332 -12.158 3.421 598 HD1 PHE 80 2HD PHE 80 5.113 -11.673 0.872 599 HD2 PHE 80 1HD PHE 80 4.040 -12.117 5.040 600 HE1 PHE 80 2HE PHE 80 7.469 -12.013 1.440 601 HE2 PHE 80 1HE PHE 80 6.420 -12.418 5.599 602 HZ PHE 80 HZ PHE 80 8.148 -12.400 3.793 603 H TYR 81 H TYR 81 1.095 -14.437 2.380 604 HA TYR 81 HA TYR 81 3.222 -16.426 2.315 605 HB2 TYR 81 1HB TYR 81 0.295 -16.960 2.838 606 HB3 TYR 81 2HB TYR 81 1.683 -17.862 3.408 607 HD1 TYR 81 1HD TYR 81 3.226 -16.752 5.188 608 HD2 TYR 81 2HD TYR 81 -0.666 -15.247 4.118 609 HE1 TYR 81 1HE TYR 81 3.147 -15.469 7.309 610 HE2 TYR 81 2HE TYR 81 -0.734 -13.914 6.225 611 HH TYR 81 HH TYR 81 1.485 -14.376 8.836 612 H HIS 82 H HIS 82 0.959 -15.233 0.004 613 HA HIS 82 HA HIS 82 0.338 -17.756 -1.228 614 HB2 HIS 82 1HB HIS 82 -1.097 -15.615 -1.153 615 HB3 HIS 82 2HB HIS 82 -0.080 -15.008 -2.454 616 HD1 HIS 82 1HD HIS 82 -2.734 -17.652 -1.698 617 HD2 HIS 82 2HD HIS 82 -0.443 -16.174 -4.889 618 HE1 HIS 82 1HE HIS 82 -3.427 -18.983 -3.796 619 H ARG 83 H ARG 83 0.696 -17.668 -3.802 620 HA ARG 83 HA ARG 83 3.636 -17.732 -4.174 621 HB2 ARG 83 1HB ARG 83 3.286 -20.072 -4.991 622 HB3 ARG 83 2HB ARG 83 2.927 -19.840 -3.283 623 HG2 ARG 83 1HG ARG 83 0.446 -19.683 -3.923 624 HG3 ARG 83 2HG ARG 83 0.903 -20.182 -5.551 625 HD2 ARG 83 1HD ARG 83 1.650 -21.747 -3.043 626 HD3 ARG 83 2HD ARG 83 0.096 -21.969 -3.859 627 HE ARG 83 HE ARG 83 1.731 -22.328 -5.930 628 HH11 ARG 83 1HH1 ARG 83 2.057 -23.747 -2.654 629 HH12 ARG 83 2HH1 ARG 83 2.814 -25.179 -3.262 630 HH21 ARG 83 1HH2 ARG 83 2.498 -24.201 -6.659 631 HH22 ARG 83 2HH2 ARG 83 2.926 -25.549 -5.616 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.820 -19.602 -14.202 2 HA2 GLY 1 2HA GLY 1 -8.669 -18.176 -12.649 3 HA3 GLY 1 1HA GLY 1 -10.193 -17.397 -13.126 4 H ALA 2 H ALA 2 -10.087 -16.233 -11.102 5 HA ALA 2 HA ALA 2 -10.034 -15.788 -8.925 6 HB1 ALA 2 1HB ALA 2 -11.204 -18.501 -8.226 7 HB2 ALA 2 2HB ALA 2 -11.205 -17.020 -7.261 8 HB3 ALA 2 3HB ALA 2 -12.183 -17.107 -8.729 9 H ALA 3 H ALA 3 -9.275 -17.487 -6.738 10 HA ALA 3 HA ALA 3 -7.475 -18.184 -5.667 11 HB1 ALA 3 1HB ALA 3 -8.095 -20.231 -6.880 12 HB2 ALA 3 2HB ALA 3 -6.953 -19.802 -8.178 13 HB3 ALA 3 3HB ALA 3 -6.354 -20.146 -6.541 14 H GLY 4 H GLY 4 -6.925 -16.088 -8.080 15 HA2 GLY 4 2HA GLY 4 -4.032 -15.759 -7.490 16 HA3 GLY 4 1HA GLY 4 -4.930 -14.943 -8.782 17 H ILE 5 H ILE 5 -4.181 -12.940 -7.806 18 HA ILE 5 HA ILE 5 -4.330 -12.445 -5.095 19 HB ILE 5 HB ILE 5 -3.758 -10.120 -5.723 20 HG12 ILE 5 1HG1 ILE 5 -4.448 -10.876 -8.599 21 HG13 ILE 5 2HG1 ILE 5 -5.387 -9.801 -7.564 22 HG21 ILE 5 1HG2 ILE 5 -1.691 -10.587 -6.886 23 HG22 ILE 5 2HG2 ILE 5 -2.068 -12.012 -5.909 24 HG23 ILE 5 3HG2 ILE 5 -2.362 -12.022 -7.666 25 HD11 ILE 5 3HD1 ILE 5 -4.076 -8.431 -9.003 26 HD12 ILE 5 1HD1 ILE 5 -3.414 -8.304 -7.358 27 HD13 ILE 5 2HD1 ILE 5 -2.586 -9.294 -8.587 28 H ASP 6 H ASP 6 -6.914 -12.210 -7.293 29 HA ASP 6 HA ASP 6 -8.468 -10.047 -6.406 30 HB2 ASP 6 1HB ASP 6 -8.799 -11.354 -8.441 31 HB3 ASP 6 2HB ASP 6 -9.149 -12.774 -7.457 32 H GLN 7 H GLN 7 -8.005 -13.198 -4.871 33 HA GLN 7 HA GLN 7 -10.335 -13.159 -3.197 34 HB2 GLN 7 1HB GLN 7 -9.221 -14.948 -2.006 35 HB3 GLN 7 2HB GLN 7 -8.961 -15.142 -3.746 36 HG2 GLN 7 1HG GLN 7 -6.691 -13.967 -3.406 37 HG3 GLN 7 2HG GLN 7 -6.947 -14.140 -1.683 38 HE21 GLN 7 1HE2 GLN 7 -5.745 -15.622 -4.456 39 HE22 GLN 7 2HE2 GLN 7 -5.554 -17.237 -3.838 40 H TYR 8 H TYR 8 -7.252 -11.486 -2.978 41 HA TYR 8 HA TYR 8 -7.563 -10.902 -0.093 42 HB2 TYR 8 1HB TYR 8 -5.363 -10.113 -2.035 43 HB3 TYR 8 2HB TYR 8 -5.335 -9.937 -0.292 44 HD1 TYR 8 2HD TYR 8 -5.423 -12.105 1.135 45 HD2 TYR 8 1HD TYR 8 -4.534 -12.035 -3.065 46 HE1 TYR 8 2HE TYR 8 -4.524 -14.385 1.318 47 HE2 TYR 8 1HE TYR 8 -3.602 -14.339 -2.900 48 HH TYR 8 HH TYR 8 -3.678 -16.212 0.133 49 H ALA 9 H ALA 9 -8.982 -9.683 -2.837 50 HA ALA 9 HA ALA 9 -8.140 -6.934 -2.811 51 HB1 ALA 9 1HB ALA 9 -8.879 -8.197 -4.855 52 HB2 ALA 9 2HB ALA 9 -10.517 -8.248 -4.209 53 HB3 ALA 9 3HB ALA 9 -9.771 -6.679 -4.601 54 H LEU 10 H LEU 10 -8.534 -5.994 -0.869 55 HA LEU 10 HA LEU 10 -11.171 -6.066 0.423 56 HB2 LEU 10 1HB LEU 10 -8.675 -4.435 1.065 57 HB3 LEU 10 2HB LEU 10 -10.119 -4.511 2.055 58 HG LEU 10 HG LEU 10 -8.291 -6.881 1.497 59 HD11 LEU 10 1HD1 LEU 10 -7.591 -6.607 3.833 60 HD12 LEU 10 2HD1 LEU 10 -8.598 -5.150 3.985 61 HD13 LEU 10 3HD1 LEU 10 -7.197 -5.171 2.886 62 HD21 LEU 10 3HD2 LEU 10 -10.577 -7.631 1.953 63 HD22 LEU 10 1HD2 LEU 10 -10.682 -6.560 3.372 64 HD23 LEU 10 2HD2 LEU 10 -9.563 -7.939 3.360 65 H LYS 11 H LYS 11 -12.744 -4.467 0.127 66 HA LYS 11 HA LYS 11 -12.072 -2.294 -1.798 67 HB2 LYS 11 1HB LYS 11 -14.757 -3.002 -0.591 68 HB3 LYS 11 2HB LYS 11 -14.476 -1.914 -1.947 69 HG2 LYS 11 1HG LYS 11 -13.716 -3.880 -3.327 70 HG3 LYS 11 2HG LYS 11 -14.096 -4.939 -1.941 71 HD2 LYS 11 1HD LYS 11 -16.402 -3.756 -1.974 72 HD3 LYS 11 2HD LYS 11 -16.005 -3.269 -3.622 73 HE2 LYS 11 1HE LYS 11 -15.932 -5.582 -4.332 74 HE3 LYS 11 2HE LYS 11 -15.907 -6.158 -2.655 75 HZ1 LYS 11 3HZ LYS 11 -18.207 -4.700 -3.818 76 HZ2 LYS 11 1HZ LYS 11 -18.132 -5.415 -2.344 77 HZ3 LYS 11 2HZ LYS 11 -18.106 -6.340 -3.689 78 H GLU 12 H GLU 12 -12.478 -2.802 1.606 79 HA GLU 12 HA GLU 12 -11.995 -0.012 2.116 80 HB2 GLU 12 1HB GLU 12 -13.803 0.249 3.775 81 HB3 GLU 12 2HB GLU 12 -14.374 0.044 2.128 82 HG2 GLU 12 1HG GLU 12 -14.687 -2.485 2.779 83 HG3 GLU 12 2HG GLU 12 -14.515 -1.925 4.440 84 H PHE 13 H PHE 13 -11.447 0.198 4.563 85 HA PHE 13 HA PHE 13 -10.945 -2.246 5.989 86 HB2 PHE 13 1HB PHE 13 -8.541 -1.987 6.237 87 HB3 PHE 13 2HB PHE 13 -8.912 -2.237 4.558 88 HD1 PHE 13 2HD PHE 13 -8.911 -0.229 2.982 89 HD2 PHE 13 1HD PHE 13 -7.285 -0.077 6.950 90 HE1 PHE 13 2HE PHE 13 -7.528 1.721 2.325 91 HE2 PHE 13 1HE PHE 13 -5.828 1.832 6.267 92 HZ PHE 13 HZ PHE 13 -6.041 2.802 4.025 93 H THR 14 H THR 14 -9.656 -1.558 8.072 94 HA THR 14 HA THR 14 -9.988 1.268 8.728 95 HB THR 14 HB THR 14 -10.420 -0.822 10.851 96 HG1 THR 14 1HG THR 14 -12.660 -0.680 10.504 97 HG21 THR 14 3HG2 THR 14 -11.623 0.925 12.015 98 HG22 THR 14 1HG2 THR 14 -11.526 1.996 10.601 99 HG23 THR 14 2HG2 THR 14 -10.047 1.549 11.491 100 H ALA 15 H ALA 15 -8.004 2.026 9.504 101 HA ALA 15 HA ALA 15 -6.122 0.157 10.733 102 HB1 ALA 15 1HB ALA 15 -5.282 1.886 8.385 103 HB2 ALA 15 2HB ALA 15 -4.222 0.900 9.409 104 HB3 ALA 15 3HB ALA 15 -5.409 0.098 8.361 105 H ASP 16 H ASP 16 -4.948 1.256 12.287 106 HA ASP 16 HA ASP 16 -4.779 2.743 13.970 107 HB2 ASP 16 1HB ASP 16 -4.344 4.810 11.820 108 HB3 ASP 16 2HB ASP 16 -3.804 4.836 13.514 109 H PHE 17 H PHE 17 -7.113 2.180 13.830 110 HA PHE 17 HA PHE 17 -9.340 2.478 13.891 111 HB2 PHE 17 1HB PHE 17 -9.722 4.127 15.869 112 HB3 PHE 17 2HB PHE 17 -8.849 2.629 16.058 113 HD1 PHE 17 2HD PHE 17 -8.249 6.104 15.231 114 HD2 PHE 17 1HD PHE 17 -6.513 2.596 16.742 115 HE1 PHE 17 2HE PHE 17 -6.309 7.498 16.116 116 HE2 PHE 17 1HE PHE 17 -4.561 3.876 17.615 117 HZ PHE 17 HZ PHE 17 -4.478 6.347 17.319 118 H THR 18 H THR 18 -8.260 3.987 11.635 119 HA THR 18 HA THR 18 -10.536 5.895 11.231 120 HB THR 18 HB THR 18 -7.756 5.769 9.957 121 HG1 THR 18 1HG THR 18 -8.990 7.578 11.761 122 HG21 THR 18 3HG2 THR 18 -9.420 6.570 8.312 123 HG22 THR 18 1HG2 THR 18 -8.330 7.851 8.821 124 HG23 THR 18 2HG2 THR 18 -9.988 7.793 9.470 125 H GLN 19 H GLN 19 -11.853 5.441 9.436 126 HA GLN 19 HA GLN 19 -11.502 2.801 8.152 127 HB2 GLN 19 1HB GLN 19 -13.681 3.516 9.223 128 HB3 GLN 19 2HB GLN 19 -13.812 4.786 8.018 129 HG2 GLN 19 1HG GLN 19 -14.574 3.368 6.449 130 HG3 GLN 19 2HG GLN 19 -13.332 2.165 6.758 131 HE21 GLN 19 1HE2 GLN 19 -13.640 0.620 8.601 132 HE22 GLN 19 2HE2 GLN 19 -15.296 0.237 9.021 133 H PHE 20 H PHE 20 -11.457 2.643 5.825 134 HA PHE 20 HA PHE 20 -11.174 5.136 4.222 135 HB2 PHE 20 1HB PHE 20 -9.173 2.890 4.397 136 HB3 PHE 20 2HB PHE 20 -9.101 4.231 3.265 137 HD1 PHE 20 2HD PHE 20 -8.376 6.498 4.048 138 HD2 PHE 20 1HD PHE 20 -8.516 3.082 6.675 139 HE1 PHE 20 2HE PHE 20 -6.866 7.665 5.624 140 HE2 PHE 20 1HE PHE 20 -6.941 4.233 8.239 141 HZ PHE 20 HZ PHE 20 -6.100 6.512 7.711 142 H HIS 21 H HIS 21 -11.434 4.744 1.960 143 HA HIS 21 HA HIS 21 -12.366 2.029 1.174 144 HB2 HIS 21 1HB HIS 21 -13.704 4.599 0.299 145 HB3 HIS 21 2HB HIS 21 -14.316 2.947 0.211 146 HD1 HIS 21 1HD HIS 21 -13.948 5.885 2.604 147 HD2 HIS 21 2HD HIS 21 -15.401 1.921 2.550 148 HE1 HIS 21 1HE HIS 21 -15.242 5.521 4.819 149 H ILE 22 H ILE 22 -12.247 1.717 -1.172 150 HA ILE 22 HA ILE 22 -9.974 2.811 -2.473 151 HB ILE 22 HB ILE 22 -12.464 1.553 -3.676 152 HG12 ILE 22 1HG1 ILE 22 -11.389 0.038 -2.090 153 HG13 ILE 22 2HG1 ILE 22 -11.286 -0.545 -3.723 154 HG21 ILE 22 1HG2 ILE 22 -9.731 2.045 -4.921 155 HG22 ILE 22 2HG2 ILE 22 -10.999 1.009 -5.622 156 HG23 ILE 22 3HG2 ILE 22 -11.288 2.736 -5.422 157 HD11 ILE 22 3HD1 ILE 22 -9.247 -0.993 -2.503 158 HD12 ILE 22 1HD1 ILE 22 -8.897 0.147 -3.818 159 HD13 ILE 22 2HD1 ILE 22 -9.034 0.730 -2.141 160 H GLY 23 H GLY 23 -9.690 4.872 -2.986 161 HA2 GLY 23 2HA GLY 23 -10.286 6.700 -4.447 162 HA3 GLY 23 1HA GLY 23 -11.972 6.515 -4.004 163 H ASP 24 H ASP 24 -10.679 6.129 -1.015 164 HA ASP 24 HA ASP 24 -10.761 8.996 -0.326 165 HB2 ASP 24 1HB ASP 24 -10.573 6.416 1.232 166 HB3 ASP 24 2HB ASP 24 -10.018 7.896 1.988 167 H THR 25 H THR 25 -8.613 9.426 1.482 168 HA THR 25 HA THR 25 -6.188 8.840 -0.063 169 HB THR 25 HB THR 25 -5.770 11.142 1.226 170 HG1 THR 25 1HG THR 25 -8.422 11.473 0.339 171 HG21 THR 25 3HG2 THR 25 -6.196 12.372 -0.905 172 HG22 THR 25 1HG2 THR 25 -7.029 10.928 -1.528 173 HG23 THR 25 2HG2 THR 25 -5.293 10.870 -1.130 174 H VAL 26 H VAL 26 -4.310 8.492 1.256 175 HA VAL 26 HA VAL 26 -4.937 7.693 4.027 176 HB VAL 26 HB VAL 26 -2.816 6.659 4.057 177 HG11 VAL 26 1HG1 VAL 26 -3.022 5.004 2.324 178 HG12 VAL 26 2HG1 VAL 26 -4.634 5.480 2.882 179 HG13 VAL 26 3HG1 VAL 26 -4.002 6.101 1.331 180 HG21 VAL 26 3HG2 VAL 26 -1.395 8.274 2.856 181 HG22 VAL 26 1HG2 VAL 26 -1.185 6.651 2.236 182 HG23 VAL 26 2HG2 VAL 26 -2.157 7.820 1.317 183 HA PRO 27 HA PRO 27 -2.804 11.321 5.716 184 HB2 PRO 27 1HB PRO 27 -1.938 10.384 8.133 185 HB3 PRO 27 2HB PRO 27 -3.651 10.711 7.780 186 HG2 PRO 27 1HG PRO 27 -2.236 8.050 7.663 187 HG3 PRO 27 2HG PRO 27 -3.785 8.443 8.480 188 HD2 PRO 27 1HD PRO 27 -3.783 7.357 5.994 189 HD3 PRO 27 2HD PRO 27 -4.946 8.624 6.429 190 H ALA 28 H ALA 28 -0.589 11.975 6.488 191 HA ALA 28 HA ALA 28 1.397 10.885 4.748 192 HB1 ALA 28 1HB ALA 28 1.213 13.314 5.511 193 HB2 ALA 28 2HB ALA 28 1.842 12.796 7.086 194 HB3 ALA 28 3HB ALA 28 2.836 12.606 5.633 195 H MET 29 H MET 29 0.318 9.864 7.758 196 HA MET 29 HA MET 29 2.613 8.693 8.960 197 HB2 MET 29 1HB MET 29 -0.174 7.473 8.933 198 HB3 MET 29 2HB MET 29 1.053 7.336 10.179 199 HG2 MET 29 1HG MET 29 0.480 10.140 9.875 200 HG3 MET 29 2HG MET 29 -1.060 9.296 9.829 201 HE1 MET 29 3HE MET 29 2.258 9.707 11.607 202 HE2 MET 29 1HE MET 29 1.915 9.385 13.321 203 HE3 MET 29 2HE MET 29 1.998 8.039 12.169 204 H TYR 30 H TYR 30 0.791 7.826 6.073 205 HA TYR 30 HA TYR 30 2.349 5.286 5.819 206 HB2 TYR 30 1HB TYR 30 -0.089 6.304 4.325 207 HB3 TYR 30 2HB TYR 30 0.666 4.735 4.108 208 HD1 TYR 30 1HD TYR 30 0.904 3.279 6.305 209 HD2 TYR 30 2HD TYR 30 -1.776 6.589 5.923 210 HE1 TYR 30 1HE TYR 30 -0.581 2.278 8.062 211 HE2 TYR 30 2HE TYR 30 -3.298 5.593 7.647 212 HH TYR 30 HH TYR 30 -2.591 3.519 9.747 213 H LEU 31 H LEU 31 1.986 8.479 4.411 214 HA LEU 31 HA LEU 31 3.103 7.740 1.816 215 HB2 LEU 31 1HB LEU 31 2.527 10.430 3.126 216 HB3 LEU 31 2HB LEU 31 3.206 10.288 1.524 217 HG LEU 31 HG LEU 31 0.785 8.625 2.085 218 HD11 LEU 31 1HD1 LEU 31 0.365 11.554 1.503 219 HD12 LEU 31 2HD1 LEU 31 0.022 10.739 3.040 220 HD13 LEU 31 3HD1 LEU 31 -0.849 10.278 1.582 221 HD21 LEU 31 3HD2 LEU 31 0.461 8.751 -0.217 222 HD22 LEU 31 1HD2 LEU 31 2.221 8.893 -0.119 223 HD23 LEU 31 2HD2 LEU 31 1.249 10.339 -0.367 224 H THR 32 H THR 32 4.416 8.480 4.870 225 HA THR 32 HA THR 32 6.995 9.423 4.316 226 HB THR 32 HB THR 32 5.890 9.324 6.481 227 HG1 THR 32 1HG THR 32 7.482 8.629 7.735 228 HG21 THR 32 3HG2 THR 32 5.638 7.271 7.786 229 HG22 THR 32 1HG2 THR 32 6.262 6.320 6.422 230 HG23 THR 32 2HG2 THR 32 4.708 7.150 6.293 231 HA PRO 33 HA PRO 33 8.843 5.927 2.250 232 HB2 PRO 33 1HB PRO 33 11.490 6.132 2.972 233 HB3 PRO 33 2HB PRO 33 10.691 7.260 1.835 234 HG2 PRO 33 1HG PRO 33 11.178 7.618 4.801 235 HG3 PRO 33 2HG PRO 33 11.517 8.774 3.468 236 HD2 PRO 33 1HD PRO 33 9.260 8.933 4.955 237 HD3 PRO 33 2HD PRO 33 9.229 9.287 3.213 238 H GLU 34 H GLU 34 8.634 6.167 5.657 239 HA GLU 34 HA GLU 34 10.200 3.993 6.539 240 HB2 GLU 34 1HB GLU 34 8.038 5.776 7.628 241 HB3 GLU 34 2HB GLU 34 8.351 4.299 8.510 242 HG2 GLU 34 1HG GLU 34 10.702 4.852 8.760 243 HG3 GLU 34 2HG GLU 34 10.547 6.231 7.660 244 H TYR 35 H TYR 35 7.260 3.826 4.746 245 HA TYR 35 HA TYR 35 7.033 0.945 5.492 246 HB2 TYR 35 1HB TYR 35 4.757 2.857 4.876 247 HB3 TYR 35 2HB TYR 35 4.620 1.149 5.258 248 HD1 TYR 35 2HD TYR 35 5.202 0.312 7.591 249 HD2 TYR 35 1HD TYR 35 5.097 4.509 6.607 250 HE1 TYR 35 2HE TYR 35 5.093 0.885 10.008 251 HE2 TYR 35 1HE TYR 35 4.996 5.083 9.002 252 HH TYR 35 HH TYR 35 4.087 3.234 11.363 253 H ASN 36 H ASN 36 7.995 2.930 3.029 254 HA ASN 36 HA ASN 36 6.397 2.214 0.811 255 HB2 ASN 36 1HB ASN 36 8.853 3.749 1.452 256 HB3 ASN 36 2HB ASN 36 8.989 2.865 -0.032 257 HD21 ASN 36 1HD2 ASN 36 9.231 5.321 -0.817 258 HD22 ASN 36 2HD2 ASN 36 7.705 5.850 -1.449 259 H ILE 37 H ILE 37 6.550 0.508 -0.687 260 HA ILE 37 HA ILE 37 8.593 -1.587 -0.159 261 HB ILE 37 HB ILE 37 5.744 -1.950 -1.146 262 HG12 ILE 37 1HG1 ILE 37 6.906 -2.809 1.517 263 HG13 ILE 37 2HG1 ILE 37 6.053 -1.267 1.327 264 HG21 ILE 37 1HG2 ILE 37 7.274 -3.699 -2.011 265 HG22 ILE 37 2HG2 ILE 37 7.884 -3.992 -0.359 266 HG23 ILE 37 3HG2 ILE 37 6.208 -4.363 -0.790 267 HD11 ILE 37 3HD1 ILE 37 4.525 -2.794 2.203 268 HD12 ILE 37 1HD1 ILE 37 4.077 -2.532 0.494 269 HD13 ILE 37 2HD1 ILE 37 4.938 -4.014 1.003 270 H LYS 38 H LYS 38 10.028 -0.663 -1.600 271 HA LYS 38 HA LYS 38 9.434 -0.464 -4.451 272 HB2 LYS 38 1HB LYS 38 12.052 -0.648 -2.873 273 HB3 LYS 38 2HB LYS 38 12.000 -0.556 -4.643 274 HG2 LYS 38 1HG LYS 38 10.686 1.481 -4.549 275 HG3 LYS 38 2HG LYS 38 10.692 1.464 -2.781 276 HD2 LYS 38 1HD LYS 38 13.154 1.774 -4.533 277 HD3 LYS 38 2HD LYS 38 12.159 3.120 -3.924 278 HE2 LYS 38 1HE LYS 38 12.681 2.551 -1.625 279 HE3 LYS 38 2HE LYS 38 13.615 1.130 -2.143 280 HZ1 LYS 38 3HZ LYS 38 15.166 2.547 -3.184 281 HZ2 LYS 38 1HZ LYS 38 14.959 3.112 -1.642 282 HZ3 LYS 38 2HZ LYS 38 14.271 3.913 -2.914 283 H GLN 39 H GLN 39 9.672 -3.167 -2.402 284 HA GLN 39 HA GLN 39 11.062 -4.883 -4.351 285 HB2 GLN 39 1HB GLN 39 10.332 -5.324 -1.425 286 HB3 GLN 39 2HB GLN 39 11.436 -6.303 -2.404 287 HG2 GLN 39 1HG GLN 39 12.919 -4.310 -2.696 288 HG3 GLN 39 2HG GLN 39 11.868 -3.364 -1.640 289 HE21 GLN 39 1HE2 GLN 39 11.452 -4.394 0.671 290 HE22 GLN 39 2HE2 GLN 39 12.821 -5.263 1.332 291 H TRP 40 H TRP 40 8.584 -4.356 -5.349 292 HA TRP 40 HA TRP 40 6.508 -6.044 -4.208 293 HB2 TRP 40 1HB TRP 40 5.209 -5.290 -6.133 294 HB3 TRP 40 2HB TRP 40 5.841 -3.963 -5.166 295 HD1 TRP 40 HD TRP 40 7.646 -2.361 -6.369 296 HE1 TRP 40 1HE TRP 40 8.054 -1.839 -8.851 297 HE3 TRP 40 3HE TRP 40 5.194 -6.358 -8.456 298 HZ2 TRP 40 2HZ TRP 40 7.274 -2.944 -11.416 299 HZ3 TRP 40 3HZ TRP 40 5.035 -6.587 -10.900 300 HH2 TRP 40 HH TRP 40 6.033 -4.877 -12.379 301 H GLN 41 H GLN 41 9.031 -6.657 -6.523 302 HA GLN 41 HA GLN 41 7.764 -8.900 -7.828 303 HB2 GLN 41 1HB GLN 41 10.626 -8.059 -7.290 304 HB3 GLN 41 2HB GLN 41 10.291 -9.645 -7.991 305 HG2 GLN 41 1HG GLN 41 9.459 -8.803 -9.978 306 HG3 GLN 41 2HG GLN 41 8.964 -7.272 -9.250 307 HE21 GLN 41 1HE2 GLN 41 11.891 -9.104 -10.346 308 HE22 GLN 41 2HE2 GLN 41 12.842 -7.654 -10.608 309 H GLN 42 H GLN 42 9.151 -8.552 -4.476 310 HA GLN 42 HA GLN 42 9.625 -11.314 -4.232 311 HB2 GLN 42 1HB GLN 42 10.710 -9.064 -3.289 312 HB3 GLN 42 2HB GLN 42 9.484 -9.208 -2.055 313 HG2 GLN 42 1HG GLN 42 11.958 -10.691 -2.539 314 HG3 GLN 42 2HG GLN 42 11.062 -10.299 -1.075 315 HE21 GLN 42 1HE2 GLN 42 10.163 -12.103 0.039 316 HE22 GLN 42 2HE2 GLN 42 9.802 -13.611 -0.724 317 H ARG 43 H ARG 43 7.050 -10.877 -4.909 318 HA ARG 43 HA ARG 43 5.233 -12.208 -3.203 319 HB2 ARG 43 1HB ARG 43 3.795 -10.166 -2.661 320 HB3 ARG 43 2HB ARG 43 5.230 -10.406 -1.695 321 HG2 ARG 43 1HG ARG 43 6.313 -8.670 -3.498 322 HG3 ARG 43 2HG ARG 43 4.622 -8.279 -3.737 323 HD2 ARG 43 1HD ARG 43 5.430 -6.787 -2.102 324 HD3 ARG 43 2HD ARG 43 4.508 -7.993 -1.174 325 HE ARG 43 HE ARG 43 7.234 -8.793 -1.312 326 HH11 ARG 43 1HH1 ARG 43 5.106 -6.426 0.304 327 HH12 ARG 43 2HH1 ARG 43 6.089 -6.325 1.722 328 HH21 ARG 43 1HH2 ARG 43 8.781 -8.244 0.443 329 HH22 ARG 43 2HH2 ARG 43 8.328 -7.064 1.597 330 H ASN 44 H ASN 44 3.100 -12.275 -4.299 331 HA ASN 44 HA ASN 44 3.482 -12.133 -7.162 332 HB2 ASN 44 1HB ASN 44 0.890 -12.836 -5.762 333 HB3 ASN 44 2HB ASN 44 1.404 -13.279 -7.386 334 HD21 ASN 44 1HD2 ASN 44 0.480 -15.295 -5.798 335 HD22 ASN 44 2HD2 ASN 44 1.755 -16.225 -5.058 336 H LEU 45 H LEU 45 2.692 -9.647 -5.135 337 HA LEU 45 HA LEU 45 0.250 -8.591 -6.043 338 HB2 LEU 45 1HB LEU 45 2.779 -7.225 -5.036 339 HB3 LEU 45 2HB LEU 45 1.353 -6.315 -5.495 340 HG LEU 45 HG LEU 45 0.977 -8.532 -3.518 341 HD11 LEU 45 1HD1 LEU 45 2.888 -7.224 -2.679 342 HD12 LEU 45 2HD1 LEU 45 1.467 -7.012 -1.659 343 HD13 LEU 45 3HD1 LEU 45 1.931 -5.735 -2.816 344 HD21 LEU 45 3HD2 LEU 45 -0.788 -6.936 -2.732 345 HD22 LEU 45 1HD2 LEU 45 -0.997 -7.327 -4.447 346 HD23 LEU 45 2HD2 LEU 45 -0.291 -5.771 -3.961 347 HA PRO 46 HA PRO 46 1.159 -7.085 -10.107 348 HB2 PRO 46 1HB PRO 46 -0.510 -4.895 -10.289 349 HB3 PRO 46 2HB PRO 46 -1.096 -6.576 -10.402 350 HG2 PRO 46 1HG PRO 46 -1.136 -4.722 -8.064 351 HG3 PRO 46 2HG PRO 46 -2.405 -5.859 -8.587 352 HD2 PRO 46 1HD PRO 46 -0.643 -6.356 -6.542 353 HD3 PRO 46 2HD PRO 46 -1.299 -7.666 -7.558 354 H ALA 47 H ALA 47 1.907 -5.142 -11.227 355 HA ALA 47 HA ALA 47 3.936 -3.609 -9.960 356 HB1 ALA 47 1HB ALA 47 3.742 -4.102 -12.416 357 HB2 ALA 47 2HB ALA 47 2.321 -3.034 -12.493 358 HB3 ALA 47 3HB ALA 47 3.914 -2.367 -12.097 359 HA PRO 48 HA PRO 48 1.400 -0.196 -8.365 360 HB2 PRO 48 1HB PRO 48 3.047 1.969 -8.698 361 HB3 PRO 48 2HB PRO 48 3.334 0.724 -7.449 362 HG2 PRO 48 1HG PRO 48 4.586 0.918 -10.208 363 HG3 PRO 48 2HG PRO 48 5.413 0.675 -8.637 364 HD2 PRO 48 1HD PRO 48 4.806 -1.394 -10.295 365 HD3 PRO 48 2HD PRO 48 4.690 -1.577 -8.520 366 H ASP 49 H ASP 49 0.369 1.800 -9.196 367 HA ASP 49 HA ASP 49 -0.092 1.895 -12.107 368 HB2 ASP 49 1HB ASP 49 -1.057 3.724 -9.851 369 HB3 ASP 49 2HB ASP 49 -1.454 3.903 -11.542 370 H ALA 50 H ALA 50 0.399 4.040 -13.181 371 HA ALA 50 HA ALA 50 3.166 4.651 -12.896 372 HB1 ALA 50 1HB ALA 50 1.920 4.785 -15.020 373 HB2 ALA 50 2HB ALA 50 0.984 6.163 -14.384 374 HB3 ALA 50 3HB ALA 50 2.738 6.300 -14.624 375 H GLY 51 H GLY 51 3.978 5.683 -11.087 376 HA2 GLY 51 2HA GLY 51 4.433 7.622 -9.818 377 HA3 GLY 51 1HA GLY 51 2.990 8.407 -10.463 378 H SER 52 H SER 52 3.140 5.159 -8.963 379 HA SER 52 HA SER 52 1.905 6.193 -6.503 380 HB2 SER 52 1HB SER 52 0.215 4.401 -6.546 381 HB3 SER 52 2HB SER 52 0.070 5.396 -8.004 382 HG SER 52 HG SER 52 1.394 3.748 -9.034 383 H HIS 53 H HIS 53 1.968 4.342 -4.810 384 HA HIS 53 HA HIS 53 4.248 2.520 -5.250 385 HB2 HIS 53 1HB HIS 53 4.847 4.839 -4.154 386 HB3 HIS 53 2HB HIS 53 4.142 4.134 -2.698 387 HD1 HIS 53 1HD HIS 53 6.860 3.503 -5.347 388 HD2 HIS 53 2HD HIS 53 5.804 2.500 -1.393 389 HE1 HIS 53 1HE HIS 53 8.840 2.260 -4.403 390 H TRP 54 H TRP 54 4.365 0.940 -3.752 391 HA TRP 54 HA TRP 54 1.772 0.216 -2.452 392 HB2 TRP 54 1HB TRP 54 4.137 -1.485 -3.286 393 HB3 TRP 54 2HB TRP 54 2.863 -2.059 -2.227 394 HD1 TRP 54 HD TRP 54 3.557 -1.322 -5.870 395 HE1 TRP 54 1HE TRP 54 1.596 -2.280 -7.298 396 HE3 TRP 54 3HE TRP 54 0.183 -2.221 -2.147 397 HZ2 TRP 54 2HZ TRP 54 -1.120 -3.042 -6.866 398 HZ3 TRP 54 3HZ TRP 54 -2.101 -3.042 -2.667 399 HH2 TRP 54 HH TRP 54 -2.776 -3.428 -5.033 400 H THR 55 H THR 55 1.647 0.220 -0.207 401 HA THR 55 HA THR 55 4.197 0.380 1.316 402 HB THR 55 HB THR 55 3.223 2.157 2.647 403 HG1 THR 55 1HG THR 55 1.071 2.168 2.561 404 HG21 THR 55 3HG2 THR 55 2.866 2.920 -0.237 405 HG22 THR 55 1HG2 THR 55 4.417 2.884 0.638 406 HG23 THR 55 2HG2 THR 55 3.135 3.986 1.177 407 H TYR 56 H TYR 56 3.902 -0.187 3.619 408 HA TYR 56 HA TYR 56 1.907 -2.332 3.968 409 HB2 TYR 56 1HB TYR 56 4.492 -2.324 4.568 410 HB3 TYR 56 2HB TYR 56 3.972 -1.494 6.017 411 HD1 TYR 56 2HD TYR 56 1.217 -3.610 5.621 412 HD2 TYR 56 1HD TYR 56 5.495 -3.883 6.179 413 HE1 TYR 56 2HE TYR 56 0.956 -5.851 6.622 414 HE2 TYR 56 1HE TYR 56 5.218 -6.161 7.113 415 HH TYR 56 HH TYR 56 1.980 -7.618 7.684 416 H MET 57 H MET 57 -0.047 -1.675 4.776 417 HA MET 57 HA MET 57 -0.245 0.742 6.482 418 HB2 MET 57 1HB MET 57 -2.586 0.736 6.080 419 HB3 MET 57 2HB MET 57 -1.841 0.606 4.535 420 HG2 MET 57 1HG MET 57 -2.777 -1.418 4.137 421 HG3 MET 57 2HG MET 57 -2.290 -2.032 5.677 422 HE1 MET 57 3HE MET 57 -6.345 -1.908 4.489 423 HE2 MET 57 1HE MET 57 -5.603 -0.409 3.872 424 HE3 MET 57 2HE MET 57 -4.858 -1.950 3.549 425 H GLY 58 H GLY 58 -2.674 -0.462 7.674 426 HA2 GLY 58 2HA GLY 58 -1.930 -1.682 10.097 427 HA3 GLY 58 1HA GLY 58 -3.511 -1.514 9.353 428 H GLY 59 H GLY 59 -0.540 -3.323 8.435 429 HA2 GLY 59 2HA GLY 59 -0.213 -5.620 8.383 430 HA3 GLY 59 1HA GLY 59 -1.856 -5.841 8.928 431 H ASN 60 H ASN 60 -1.964 -3.818 6.286 432 HA ASN 60 HA ASN 60 -2.336 -6.028 4.332 433 HB2 ASN 60 1HB ASN 60 -3.928 -3.501 4.337 434 HB3 ASN 60 2HB ASN 60 -4.226 -4.927 3.382 435 HD21 ASN 60 1HD2 ASN 60 -4.871 -3.272 6.398 436 HD22 ASN 60 2HD2 ASN 60 -5.765 -4.503 7.195 437 H TYR 61 H TYR 61 -2.140 -5.056 2.027 438 HA TYR 61 HA TYR 61 0.081 -3.081 2.060 439 HB2 TYR 61 1HB TYR 61 -0.624 -5.303 0.102 440 HB3 TYR 61 2HB TYR 61 0.617 -4.084 -0.177 441 HD1 TYR 61 1HD TYR 61 2.357 -3.779 1.830 442 HD2 TYR 61 2HD TYR 61 0.007 -7.320 1.206 443 HE1 TYR 61 1HE TYR 61 4.111 -5.135 2.962 444 HE2 TYR 61 2HE TYR 61 1.767 -8.690 2.205 445 HH TYR 61 HH TYR 61 3.766 -8.476 3.801 446 H VAL 62 H VAL 62 -0.488 -1.032 1.220 447 HA VAL 62 HA VAL 62 -2.968 -0.979 -0.452 448 HB VAL 62 HB VAL 62 -3.232 1.265 0.407 449 HG11 VAL 62 1HG1 VAL 62 -3.302 -1.095 2.218 450 HG12 VAL 62 2HG1 VAL 62 -3.659 0.519 2.896 451 HG13 VAL 62 3HG1 VAL 62 -4.613 -0.115 1.577 452 HG21 VAL 62 3HG2 VAL 62 -0.972 0.623 2.346 453 HG22 VAL 62 1HG2 VAL 62 -0.907 1.782 0.984 454 HG23 VAL 62 2HG2 VAL 62 -1.976 2.084 2.341 455 H LEU 63 H LEU 63 -2.995 0.499 -2.139 456 HA LEU 63 HA LEU 63 -0.311 1.285 -3.209 457 HB2 LEU 63 1HB LEU 63 -1.475 -0.363 -4.576 458 HB3 LEU 63 2HB LEU 63 -2.895 0.669 -4.652 459 HG LEU 63 HG LEU 63 -1.587 2.375 -5.894 460 HD11 LEU 63 1HD1 LEU 63 0.668 1.398 -6.891 461 HD12 LEU 63 2HD1 LEU 63 0.689 0.473 -5.381 462 HD13 LEU 63 3HD1 LEU 63 0.630 2.246 -5.361 463 HD21 LEU 63 3HD2 LEU 63 -1.393 -0.392 -7.148 464 HD22 LEU 63 1HD2 LEU 63 -1.437 1.166 -8.006 465 HD23 LEU 63 2HD2 LEU 63 -2.856 0.629 -7.105 466 H ILE 64 H ILE 64 0.067 3.396 -3.065 467 HA ILE 64 HA ILE 64 -2.174 5.341 -2.766 468 HB ILE 64 HB ILE 64 -0.443 6.632 -1.466 469 HG12 ILE 64 1HG1 ILE 64 1.075 4.086 -0.929 470 HG13 ILE 64 2HG1 ILE 64 1.514 4.999 -2.364 471 HG21 ILE 64 1HG2 ILE 64 -2.233 5.449 -0.341 472 HG22 ILE 64 2HG2 ILE 64 -1.282 3.917 -0.376 473 HG23 ILE 64 3HG2 ILE 64 -0.737 5.270 0.601 474 HD11 ILE 64 3HD1 ILE 64 1.459 6.216 0.407 475 HD12 ILE 64 1HD1 ILE 64 2.906 5.652 -0.466 476 HD13 ILE 64 2HD1 ILE 64 1.956 6.984 -1.128 477 H THR 65 H THR 65 -1.952 7.407 -3.977 478 HA THR 65 HA THR 65 -0.034 7.330 -6.185 479 HB THR 65 HB THR 65 -0.799 9.955 -5.972 480 HG1 THR 65 1HG THR 65 -3.064 9.834 -5.643 481 HG21 THR 65 3HG2 THR 65 -2.396 9.523 -7.718 482 HG22 THR 65 1HG2 THR 65 -2.431 7.792 -7.330 483 HG23 THR 65 2HG2 THR 65 -0.950 8.533 -7.987 484 H ASP 66 H ASP 66 1.967 8.391 -6.225 485 HA ASP 66 HA ASP 66 3.197 8.914 -3.649 486 HB2 ASP 66 1HB ASP 66 4.279 7.971 -5.720 487 HB3 ASP 66 2HB ASP 66 4.182 9.572 -6.451 488 H THR 67 H THR 67 1.212 10.713 -5.549 489 HA THR 67 HA THR 67 2.248 13.388 -4.764 490 HB THR 67 HB THR 67 2.999 12.627 -6.931 491 HG1 THR 67 1HG THR 67 2.668 14.766 -6.692 492 HG21 THR 67 3HG2 THR 67 1.420 12.427 -8.841 493 HG22 THR 67 1HG2 THR 67 0.081 12.354 -7.687 494 HG23 THR 67 2HG2 THR 67 1.330 11.092 -7.690 495 H GLU 68 H GLU 68 0.056 11.752 -3.547 496 HA GLU 68 HA GLU 68 -1.846 13.737 -3.060 497 HB2 GLU 68 1HB GLU 68 -2.793 13.415 -5.260 498 HB3 GLU 68 2HB GLU 68 -2.675 11.680 -5.129 499 HG2 GLU 68 1HG GLU 68 -4.899 12.076 -4.955 500 HG3 GLU 68 2HG GLU 68 -4.469 11.879 -3.265 501 H GLY 69 H GLY 69 -1.136 10.239 -3.292 502 HA2 GLY 69 2HA GLY 69 -1.210 8.574 -1.785 503 HA3 GLY 69 1HA GLY 69 -1.639 9.694 -0.515 504 H LYS 70 H LYS 70 -3.440 9.382 -3.494 505 HA LYS 70 HA LYS 70 -5.935 8.787 -2.171 506 HB2 LYS 70 1HB LYS 70 -5.241 9.915 -4.575 507 HB3 LYS 70 2HB LYS 70 -5.610 8.295 -5.105 508 HG2 LYS 70 1HG LYS 70 -7.659 9.415 -3.247 509 HG3 LYS 70 2HG LYS 70 -7.377 10.451 -4.615 510 HD2 LYS 70 1HD LYS 70 -8.104 7.498 -4.762 511 HD3 LYS 70 2HD LYS 70 -9.224 8.851 -4.982 512 HE2 LYS 70 1HE LYS 70 -6.838 8.175 -6.761 513 HE3 LYS 70 2HE LYS 70 -8.535 7.897 -7.147 514 HZ1 LYS 70 3HZ LYS 70 -7.488 9.934 -8.092 515 HZ2 LYS 70 1HZ LYS 70 -7.473 10.612 -6.610 516 HZ3 LYS 70 2HZ LYS 70 -8.920 10.200 -7.269 517 H ILE 71 H ILE 71 -7.000 6.861 -2.092 518 HA ILE 71 HA ILE 71 -5.307 4.570 -1.915 519 HB ILE 71 HB ILE 71 -8.197 5.123 -1.139 520 HG12 ILE 71 1HG1 ILE 71 -5.601 4.907 0.433 521 HG13 ILE 71 2HG1 ILE 71 -6.383 6.417 0.039 522 HG21 ILE 71 1HG2 ILE 71 -6.511 2.690 -0.365 523 HG22 ILE 71 2HG2 ILE 71 -8.161 3.075 0.198 524 HG23 ILE 71 3HG2 ILE 71 -7.883 2.669 -1.483 525 HD11 ILE 71 3HD1 ILE 71 -7.335 4.305 1.961 526 HD12 ILE 71 1HD1 ILE 71 -6.910 5.989 2.281 527 HD13 ILE 71 2HD1 ILE 71 -8.391 5.620 1.376 528 H LEU 72 H LEU 72 -4.750 3.932 -3.893 529 HA LEU 72 HA LEU 72 -6.683 3.771 -6.033 530 HB2 LEU 72 1HB LEU 72 -3.877 2.618 -6.036 531 HB3 LEU 72 2HB LEU 72 -4.865 3.042 -7.425 532 HG LEU 72 HG LEU 72 -3.492 4.907 -5.471 533 HD11 LEU 72 1HD1 LEU 72 -2.207 3.850 -7.401 534 HD12 LEU 72 2HD1 LEU 72 -2.205 5.612 -7.348 535 HD13 LEU 72 3HD1 LEU 72 -3.255 4.758 -8.495 536 HD21 LEU 72 3HD2 LEU 72 -5.412 5.689 -7.718 537 HD22 LEU 72 1HD2 LEU 72 -4.400 6.811 -6.777 538 HD23 LEU 72 2HD2 LEU 72 -5.694 5.918 -5.984 539 H LYS 73 H LYS 73 -4.940 1.312 -4.050 540 HA LYS 73 HA LYS 73 -6.984 -0.705 -4.632 541 HB2 LYS 73 1HB LYS 73 -4.017 -1.226 -5.134 542 HB3 LYS 73 2HB LYS 73 -5.277 -2.450 -5.082 543 HG2 LYS 73 1HG LYS 73 -6.319 -1.532 -7.110 544 HG3 LYS 73 2HG LYS 73 -5.086 -0.256 -7.179 545 HD2 LYS 73 1HD LYS 73 -3.302 -2.020 -7.322 546 HD3 LYS 73 2HD LYS 73 -4.559 -3.262 -7.227 547 HE2 LYS 73 1HE LYS 73 -3.927 -3.080 -9.515 548 HE3 LYS 73 2HE LYS 73 -5.554 -2.398 -9.328 549 HZ1 LYS 73 3HZ LYS 73 -4.341 -0.954 -10.674 550 HZ2 LYS 73 1HZ LYS 73 -3.022 -0.927 -9.738 551 HZ3 LYS 73 2HZ LYS 73 -4.428 -0.158 -9.269 552 H VAL 74 H VAL 74 -6.711 -2.547 -3.064 553 HA VAL 74 HA VAL 74 -4.630 -2.286 -1.053 554 HB VAL 74 HB VAL 74 -7.570 -2.689 -0.351 555 HG11 VAL 74 1HG1 VAL 74 -6.111 -3.910 1.146 556 HG12 VAL 74 2HG1 VAL 74 -5.079 -2.492 1.375 557 HG13 VAL 74 3HG1 VAL 74 -6.758 -2.508 1.994 558 HG21 VAL 74 3HG2 VAL 74 -7.486 -0.378 -0.786 559 HG22 VAL 74 1HG2 VAL 74 -7.249 -0.481 0.953 560 HG23 VAL 74 2HG2 VAL 74 -5.865 -0.191 -0.117 561 H TYR 75 H TYR 75 -3.930 -4.362 -0.499 562 HA TYR 75 HA TYR 75 -5.745 -6.614 -1.025 563 HB2 TYR 75 1HB TYR 75 -2.840 -6.554 -1.849 564 HB3 TYR 75 2HB TYR 75 -3.769 -8.032 -1.646 565 HD1 TYR 75 1HD TYR 75 -5.902 -8.362 -3.072 566 HD2 TYR 75 2HD TYR 75 -2.912 -5.416 -3.953 567 HE1 TYR 75 1HE TYR 75 -6.700 -8.305 -5.372 568 HE2 TYR 75 2HE TYR 75 -3.762 -5.267 -6.295 569 HH TYR 75 HH TYR 75 -5.753 -5.805 -7.688 570 H ASP 76 H ASP 76 -5.510 -8.216 0.690 571 HA ASP 76 HA ASP 76 -4.573 -7.344 3.225 572 HB2 ASP 76 1HB ASP 76 -6.320 -8.997 3.046 573 HB3 ASP 76 2HB ASP 76 -5.269 -10.084 2.147 574 H GLY 77 H GLY 77 -2.927 -8.422 4.599 575 HA2 GLY 77 2HA GLY 77 -0.234 -8.300 3.594 576 HA3 GLY 77 1HA GLY 77 -0.768 -8.896 5.133 577 H GLU 78 H GLU 78 -2.507 -11.111 3.790 578 HA GLU 78 HA GLU 78 -0.452 -13.073 3.751 579 HB2 GLU 78 1HB GLU 78 -3.357 -13.026 2.822 580 HB3 GLU 78 2HB GLU 78 -2.327 -14.460 2.661 581 HG2 GLU 78 1HG GLU 78 -1.762 -14.088 5.188 582 HG3 GLU 78 2HG GLU 78 -3.194 -13.092 5.233 583 H ILE 79 H ILE 79 -1.527 -10.952 1.170 584 HA ILE 79 HA ILE 79 -0.512 -12.581 -0.948 585 HB ILE 79 HB ILE 79 -2.179 -10.618 -0.965 586 HG12 ILE 79 1HG1 ILE 79 -0.011 -10.552 -3.083 587 HG13 ILE 79 2HG1 ILE 79 -1.224 -11.831 -2.981 588 HG21 ILE 79 1HG2 ILE 79 0.306 -8.931 -1.397 589 HG22 ILE 79 2HG2 ILE 79 -1.362 -8.397 -1.035 590 HG23 ILE 79 3HG2 ILE 79 -0.356 -9.150 0.204 591 HD11 ILE 79 3HD1 ILE 79 -2.047 -8.917 -3.160 592 HD12 ILE 79 1HD1 ILE 79 -1.713 -9.905 -4.582 593 HD13 ILE 79 2HD1 ILE 79 -3.016 -10.358 -3.454 594 H PHE 80 H PHE 80 1.201 -11.343 1.659 595 HA PHE 80 HA PHE 80 3.724 -10.746 0.352 596 HB2 PHE 80 1HB PHE 80 3.203 -10.145 2.723 597 HB3 PHE 80 2HB PHE 80 3.019 -11.835 3.105 598 HD1 PHE 80 1HD PHE 80 5.623 -9.638 1.445 599 HD2 PHE 80 2HD PHE 80 4.801 -12.867 4.172 600 HE1 PHE 80 1HE PHE 80 8.060 -9.841 1.988 601 HE2 PHE 80 2HE PHE 80 7.195 -13.036 4.702 602 HZ PHE 80 HZ PHE 80 8.830 -11.487 3.644 603 H TYR 81 H TYR 81 1.993 -13.714 1.475 604 HA TYR 81 HA TYR 81 4.324 -15.363 0.673 605 HB2 TYR 81 1HB TYR 81 4.257 -16.481 2.727 606 HB3 TYR 81 2HB TYR 81 4.241 -14.768 3.063 607 HD1 TYR 81 1HD TYR 81 2.309 -17.905 3.165 608 HD2 TYR 81 2HD TYR 81 2.266 -13.721 4.246 609 HE1 TYR 81 1HE TYR 81 0.317 -18.281 4.576 610 HE2 TYR 81 2HE TYR 81 0.409 -14.150 5.800 611 HH TYR 81 HH TYR 81 -1.659 -16.579 5.455 612 H HIS 82 H HIS 82 1.679 -14.844 -0.596 613 HA HIS 82 HA HIS 82 -0.277 -16.809 -0.246 614 HB2 HIS 82 1HB HIS 82 -0.661 -14.768 -1.458 615 HB3 HIS 82 2HB HIS 82 0.634 -15.153 -2.591 616 HD1 HIS 82 1HD HIS 82 -1.801 -18.128 -2.478 617 HD2 HIS 82 2HD HIS 82 -1.243 -14.373 -4.319 618 HE1 HIS 82 1HE HIS 82 -3.278 -18.106 -4.454 619 H ARG 83 H ARG 83 -0.521 -18.814 -1.024 620 HA ARG 83 HA ARG 83 1.380 -19.915 -2.919 621 HB2 ARG 83 1HB ARG 83 0.304 -21.376 -0.463 622 HB3 ARG 83 2HB ARG 83 1.165 -22.153 -1.792 623 HG2 ARG 83 1HG ARG 83 3.215 -20.906 -1.271 624 HG3 ARG 83 2HG ARG 83 2.392 -20.029 0.025 625 HD2 ARG 83 1HD ARG 83 2.773 -23.047 -0.063 626 HD3 ARG 83 2HD ARG 83 3.759 -21.920 0.891 627 HE ARG 83 HE ARG 83 1.208 -21.291 1.625 628 HH11 ARG 83 1HH1 ARG 83 2.989 -24.393 1.749 629 HH12 ARG 83 2HH1 ARG 83 1.905 -25.045 2.957 630 HH21 ARG 83 1HH2 ARG 83 -0.080 -22.169 3.221 631 HH22 ARG 83 2HH2 ARG 83 0.207 -23.782 3.818 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -13.429 -12.939 -10.574 2 HA2 GLY 1 2HA GLY 1 -11.522 -13.528 -12.769 3 HA3 GLY 1 1HA GLY 1 -11.023 -13.132 -11.111 4 H ALA 2 H ALA 2 -10.029 -15.144 -10.718 5 HA ALA 2 HA ALA 2 -11.748 -16.995 -9.406 6 HB1 ALA 2 1HB ALA 2 -11.961 -18.085 -11.606 7 HB2 ALA 2 2HB ALA 2 -10.191 -18.095 -11.798 8 HB3 ALA 2 3HB ALA 2 -10.953 -19.049 -10.519 9 H ALA 3 H ALA 3 -10.559 -16.722 -7.581 10 HA ALA 3 HA ALA 3 -8.810 -16.559 -6.117 11 HB1 ALA 3 1HB ALA 3 -7.735 -18.740 -5.891 12 HB2 ALA 3 2HB ALA 3 -9.446 -18.936 -6.305 13 HB3 ALA 3 3HB ALA 3 -8.196 -19.159 -7.552 14 H GLY 4 H GLY 4 -8.060 -14.743 -7.928 15 HA2 GLY 4 2HA GLY 4 -5.286 -15.327 -8.825 16 HA3 GLY 4 1HA GLY 4 -6.285 -13.921 -9.249 17 H ILE 5 H ILE 5 -6.356 -12.231 -8.029 18 HA ILE 5 HA ILE 5 -4.749 -12.101 -5.549 19 HB ILE 5 HB ILE 5 -3.769 -9.935 -6.221 20 HG12 ILE 5 1HG1 ILE 5 -4.805 -10.563 -9.033 21 HG13 ILE 5 2HG1 ILE 5 -5.405 -9.281 -7.980 22 HG21 ILE 5 1HG2 ILE 5 -2.607 -12.194 -6.500 23 HG22 ILE 5 2HG2 ILE 5 -2.997 -12.089 -8.228 24 HG23 ILE 5 3HG2 ILE 5 -1.952 -10.878 -7.465 25 HD11 ILE 5 3HD1 ILE 5 -2.623 -9.468 -9.167 26 HD12 ILE 5 1HD1 ILE 5 -3.880 -8.275 -9.529 27 HD13 ILE 5 2HD1 ILE 5 -3.105 -8.298 -7.920 28 H ASP 6 H ASP 6 -7.432 -11.018 -7.490 29 HA ASP 6 HA ASP 6 -8.254 -8.748 -5.962 30 HB2 ASP 6 1HB ASP 6 -8.841 -9.513 -8.316 31 HB3 ASP 6 2HB ASP 6 -9.988 -10.621 -7.596 32 H GLN 7 H GLN 7 -8.422 -12.075 -5.393 33 HA GLN 7 HA GLN 7 -10.573 -12.306 -3.538 34 HB2 GLN 7 1HB GLN 7 -9.469 -14.364 -2.884 35 HB3 GLN 7 2HB GLN 7 -9.401 -14.187 -4.632 36 HG2 GLN 7 1HG GLN 7 -7.014 -13.376 -4.386 37 HG3 GLN 7 2HG GLN 7 -7.131 -13.728 -2.658 38 HE21 GLN 7 1HE2 GLN 7 -5.456 -15.045 -5.045 39 HE22 GLN 7 2HE2 GLN 7 -5.807 -16.711 -4.772 40 H TYR 8 H TYR 8 -7.378 -10.805 -3.222 41 HA TYR 8 HA TYR 8 -7.649 -10.576 -0.286 42 HB2 TYR 8 1HB TYR 8 -5.369 -9.732 -2.087 43 HB3 TYR 8 2HB TYR 8 -5.364 -9.893 -0.351 44 HD1 TYR 8 1HD TYR 8 -5.743 -12.204 0.696 45 HD2 TYR 8 2HD TYR 8 -4.625 -11.547 -3.405 46 HE1 TYR 8 1HE TYR 8 -4.943 -14.538 0.532 47 HE2 TYR 8 2HE TYR 8 -3.791 -13.872 -3.582 48 HH TYR 8 HH TYR 8 -3.290 -15.833 -2.329 49 H ALA 9 H ALA 9 -8.933 -8.842 -2.831 50 HA ALA 9 HA ALA 9 -7.829 -6.200 -2.232 51 HB1 ALA 9 1HB ALA 9 -9.362 -5.443 -4.001 52 HB2 ALA 9 2HB ALA 9 -8.300 -6.740 -4.561 53 HB3 ALA 9 3HB ALA 9 -9.997 -7.091 -4.182 54 H LEU 10 H LEU 10 -8.538 -5.268 -0.345 55 HA LEU 10 HA LEU 10 -11.158 -6.049 0.739 56 HB2 LEU 10 1HB LEU 10 -9.022 -4.088 1.735 57 HB3 LEU 10 2HB LEU 10 -10.505 -4.518 2.592 58 HG LEU 10 HG LEU 10 -8.176 -6.377 1.916 59 HD11 LEU 10 1HD1 LEU 10 -9.372 -5.524 4.604 60 HD12 LEU 10 2HD1 LEU 10 -7.884 -4.863 3.868 61 HD13 LEU 10 3HD1 LEU 10 -7.965 -6.586 4.326 62 HD21 LEU 10 3HD2 LEU 10 -10.856 -7.098 3.191 63 HD22 LEU 10 1HD2 LEU 10 -9.406 -8.125 3.217 64 HD23 LEU 10 2HD2 LEU 10 -10.172 -7.747 1.688 65 H LYS 11 H LYS 11 -13.042 -4.887 0.366 66 HA LYS 11 HA LYS 11 -12.864 -2.572 -1.407 67 HB2 LYS 11 1HB LYS 11 -14.987 -4.116 -0.057 68 HB3 LYS 11 2HB LYS 11 -15.365 -2.394 -0.222 69 HG2 LYS 11 1HG LYS 11 -14.950 -2.502 -2.649 70 HG3 LYS 11 2HG LYS 11 -14.565 -4.246 -2.519 71 HD2 LYS 11 1HD LYS 11 -16.793 -4.687 -1.616 72 HD3 LYS 11 2HD LYS 11 -17.206 -2.963 -1.665 73 HE2 LYS 11 1HE LYS 11 -16.988 -3.011 -4.149 74 HE3 LYS 11 2HE LYS 11 -16.585 -4.743 -4.056 75 HZ1 LYS 11 3HZ LYS 11 -18.838 -4.712 -4.459 76 HZ2 LYS 11 1HZ LYS 11 -19.150 -3.446 -3.425 77 HZ3 LYS 11 2HZ LYS 11 -18.787 -4.915 -2.821 78 H GLU 12 H GLU 12 -12.729 -3.054 2.078 79 HA GLU 12 HA GLU 12 -12.333 -0.256 2.576 80 HB2 GLU 12 1HB GLU 12 -14.222 0.018 4.145 81 HB3 GLU 12 2HB GLU 12 -14.748 -0.279 2.494 82 HG2 GLU 12 1HG GLU 12 -14.958 -2.767 3.233 83 HG3 GLU 12 2HG GLU 12 -14.846 -2.171 4.863 84 H PHE 13 H PHE 13 -11.619 0.007 4.685 85 HA PHE 13 HA PHE 13 -11.460 -2.121 6.587 86 HB2 PHE 13 1HB PHE 13 -9.057 -2.384 6.775 87 HB3 PHE 13 2HB PHE 13 -9.570 -2.900 5.204 88 HD1 PHE 13 1HD PHE 13 -9.282 -1.175 3.199 89 HD2 PHE 13 2HD PHE 13 -7.257 -0.906 7.010 90 HE1 PHE 13 1HE PHE 13 -7.648 0.380 2.222 91 HE2 PHE 13 2HE PHE 13 -5.559 0.579 5.994 92 HZ PHE 13 HZ PHE 13 -5.804 1.309 3.621 93 H THR 14 H THR 14 -9.995 -1.302 8.486 94 HA THR 14 HA THR 14 -9.967 1.648 8.687 95 HB THR 14 HB THR 14 -10.741 -0.369 10.824 96 HG1 THR 14 1HG THR 14 -12.747 0.486 10.730 97 HG21 THR 14 3HG2 THR 14 -10.837 2.661 11.035 98 HG22 THR 14 1HG2 THR 14 -9.613 1.623 11.810 99 HG23 THR 14 2HG2 THR 14 -11.317 1.503 12.272 100 H ALA 15 H ALA 15 -8.004 2.409 9.549 101 HA ALA 15 HA ALA 15 -6.213 0.572 10.946 102 HB1 ALA 15 1HB ALA 15 -4.253 1.136 9.575 103 HB2 ALA 15 2HB ALA 15 -5.471 0.304 8.597 104 HB3 ALA 15 3HB ALA 15 -5.263 2.062 8.457 105 H ASP 16 H ASP 16 -4.776 1.825 12.326 106 HA ASP 16 HA ASP 16 -4.311 3.589 13.735 107 HB2 ASP 16 1HB ASP 16 -3.847 4.368 10.911 108 HB3 ASP 16 2HB ASP 16 -4.039 5.739 11.950 109 H PHE 17 H PHE 17 -7.024 3.058 13.496 110 HA PHE 17 HA PHE 17 -9.077 3.718 14.121 111 HB2 PHE 17 1HB PHE 17 -7.898 6.239 15.289 112 HB3 PHE 17 2HB PHE 17 -9.343 5.371 15.788 113 HD1 PHE 17 2HD PHE 17 -9.126 3.176 17.045 114 HD2 PHE 17 1HD PHE 17 -5.711 5.609 16.049 115 HE1 PHE 17 2HE PHE 17 -7.736 1.912 18.676 116 HE2 PHE 17 1HE PHE 17 -4.334 4.328 17.646 117 HZ PHE 17 HZ PHE 17 -5.307 2.482 18.933 118 H THR 18 H THR 18 -8.362 4.341 11.404 119 HA THR 18 HA THR 18 -10.318 6.479 10.855 120 HB THR 18 HB THR 18 -7.542 6.098 9.638 121 HG1 THR 18 1HG THR 18 -8.164 7.275 11.747 122 HG21 THR 18 3HG2 THR 18 -9.114 6.826 7.882 123 HG22 THR 18 1HG2 THR 18 -8.005 8.129 8.308 124 HG23 THR 18 2HG2 THR 18 -9.675 8.158 8.910 125 H GLN 19 H GLN 19 -11.758 5.782 9.277 126 HA GLN 19 HA GLN 19 -11.393 3.063 8.180 127 HB2 GLN 19 1HB GLN 19 -13.504 3.707 9.244 128 HB3 GLN 19 2HB GLN 19 -13.765 4.970 8.045 129 HG2 GLN 19 1HG GLN 19 -14.355 3.461 6.392 130 HG3 GLN 19 2HG GLN 19 -13.273 2.202 6.979 131 HE21 GLN 19 1HE2 GLN 19 -13.844 1.107 9.020 132 HE22 GLN 19 2HE2 GLN 19 -15.545 0.795 9.342 133 H PHE 20 H PHE 20 -11.579 2.650 5.905 134 HA PHE 20 HA PHE 20 -10.877 4.834 4.022 135 HB2 PHE 20 1HB PHE 20 -9.325 2.252 4.577 136 HB3 PHE 20 2HB PHE 20 -8.985 3.377 3.288 137 HD1 PHE 20 2HD PHE 20 -8.507 5.910 4.075 138 HD2 PHE 20 1HD PHE 20 -8.182 2.441 6.606 139 HE1 PHE 20 2HE PHE 20 -6.935 7.136 5.537 140 HE2 PHE 20 1HE PHE 20 -6.642 3.710 8.106 141 HZ PHE 20 HZ PHE 20 -5.986 6.024 7.562 142 H HIS 21 H HIS 21 -11.095 4.207 1.810 143 HA HIS 21 HA HIS 21 -12.423 1.669 1.183 144 HB2 HIS 21 1HB HIS 21 -13.568 4.355 0.362 145 HB3 HIS 21 2HB HIS 21 -14.280 2.769 0.131 146 HD1 HIS 21 1HD HIS 21 -13.929 5.538 2.670 147 HD2 HIS 21 2HD HIS 21 -15.493 1.655 2.327 148 HE1 HIS 21 1HE HIS 21 -15.377 5.157 4.765 149 H ILE 22 H ILE 22 -12.565 1.453 -1.259 150 HA ILE 22 HA ILE 22 -10.077 2.149 -2.517 151 HB ILE 22 HB ILE 22 -12.641 1.134 -3.799 152 HG12 ILE 22 1HG1 ILE 22 -11.804 -0.430 -2.070 153 HG13 ILE 22 2HG1 ILE 22 -11.865 -1.085 -3.691 154 HG21 ILE 22 1HG2 ILE 22 -11.095 0.291 -5.610 155 HG22 ILE 22 2HG2 ILE 22 -11.223 2.047 -5.525 156 HG23 ILE 22 3HG2 ILE 22 -9.789 1.249 -4.868 157 HD11 ILE 22 3HD1 ILE 22 -9.397 -0.876 -3.891 158 HD12 ILE 22 1HD1 ILE 22 -9.336 -0.166 -2.260 159 HD13 ILE 22 2HD1 ILE 22 -9.903 -1.840 -2.497 160 H GLY 23 H GLY 23 -9.703 4.287 -2.711 161 HA2 GLY 23 2HA GLY 23 -9.799 5.970 -4.500 162 HA3 GLY 23 1HA GLY 23 -11.548 5.915 -4.437 163 H ASP 24 H ASP 24 -10.600 5.703 -1.244 164 HA ASP 24 HA ASP 24 -10.861 8.590 -0.720 165 HB2 ASP 24 1HB ASP 24 -10.593 6.114 1.011 166 HB3 ASP 24 2HB ASP 24 -10.512 7.738 1.682 167 H THR 25 H THR 25 -8.951 9.170 1.235 168 HA THR 25 HA THR 25 -6.355 8.638 -0.051 169 HB THR 25 HB THR 25 -6.273 11.138 1.083 170 HG1 THR 25 1HG THR 25 -8.544 11.355 -0.476 171 HG21 THR 25 3HG2 THR 25 -7.021 10.537 -1.829 172 HG22 THR 25 1HG2 THR 25 -5.368 10.558 -1.172 173 HG23 THR 25 2HG2 THR 25 -6.298 12.054 -1.233 174 H VAL 26 H VAL 26 -4.531 9.208 1.511 175 HA VAL 26 HA VAL 26 -5.147 7.804 4.084 176 HB VAL 26 HB VAL 26 -2.839 7.076 4.022 177 HG11 VAL 26 1HG1 VAL 26 -2.997 5.556 2.159 178 HG12 VAL 26 2HG1 VAL 26 -4.606 5.764 2.874 179 HG13 VAL 26 3HG1 VAL 26 -4.182 6.580 1.343 180 HG21 VAL 26 3HG2 VAL 26 -2.563 8.511 1.356 181 HG22 VAL 26 1HG2 VAL 26 -1.762 8.965 2.867 182 HG23 VAL 26 2HG2 VAL 26 -1.381 7.416 2.098 183 HA PRO 27 HA PRO 27 -3.275 11.273 6.269 184 HB2 PRO 27 1HB PRO 27 -2.266 10.111 8.483 185 HB3 PRO 27 2HB PRO 27 -4.026 10.229 8.228 186 HG2 PRO 27 1HG PRO 27 -2.297 7.862 7.661 187 HG3 PRO 27 2HG PRO 27 -3.850 7.907 8.565 188 HD2 PRO 27 1HD PRO 27 -3.807 7.226 5.952 189 HD3 PRO 27 2HD PRO 27 -5.120 8.219 6.634 190 H ALA 28 H ALA 28 -1.159 12.144 6.634 191 HA ALA 28 HA ALA 28 0.777 11.223 4.791 192 HB1 ALA 28 1HB ALA 28 0.591 13.572 5.473 193 HB2 ALA 28 2HB ALA 28 1.100 13.128 7.118 194 HB3 ALA 28 3HB ALA 28 2.228 12.956 5.762 195 H MET 29 H MET 29 0.145 10.201 8.003 196 HA MET 29 HA MET 29 2.568 9.169 8.894 197 HB2 MET 29 1HB MET 29 -0.034 7.668 9.242 198 HB3 MET 29 2HB MET 29 1.309 7.819 10.362 199 HG2 MET 29 1HG MET 29 0.425 10.465 10.026 200 HG3 MET 29 2HG MET 29 -1.037 9.479 9.999 201 HE1 MET 29 3HE MET 29 2.347 9.770 11.958 202 HE2 MET 29 1HE MET 29 1.487 11.313 12.160 203 HE3 MET 29 2HE MET 29 1.720 10.236 13.558 204 H TYR 30 H TYR 30 0.664 8.078 6.183 205 HA TYR 30 HA TYR 30 2.448 5.685 5.911 206 HB2 TYR 30 1HB TYR 30 -0.308 6.237 4.731 207 HB3 TYR 30 2HB TYR 30 0.660 4.793 4.449 208 HD1 TYR 30 2HD TYR 30 1.498 3.517 6.647 209 HD2 TYR 30 1HD TYR 30 -1.885 6.205 6.485 210 HE1 TYR 30 2HE TYR 30 0.543 2.430 8.641 211 HE2 TYR 30 1HE TYR 30 -2.822 5.171 8.512 212 HH TYR 30 HH TYR 30 -1.637 3.359 10.584 213 H LEU 31 H LEU 31 1.882 8.807 4.617 214 HA LEU 31 HA LEU 31 2.897 8.158 1.924 215 HB2 LEU 31 1HB LEU 31 2.169 10.733 3.363 216 HB3 LEU 31 2HB LEU 31 2.995 10.757 1.823 217 HG LEU 31 HG LEU 31 0.517 9.049 2.027 218 HD11 LEU 31 1HD1 LEU 31 0.438 12.070 1.679 219 HD12 LEU 31 2HD1 LEU 31 -0.345 11.111 2.955 220 HD13 LEU 31 3HD1 LEU 31 -0.895 10.956 1.297 221 HD21 LEU 31 3HD2 LEU 31 2.078 9.142 0.023 222 HD22 LEU 31 1HD2 LEU 31 1.599 10.829 -0.184 223 HD23 LEU 31 2HD2 LEU 31 0.395 9.532 -0.333 224 H THR 32 H THR 32 4.172 8.696 5.095 225 HA THR 32 HA THR 32 6.738 9.709 4.308 226 HB THR 32 HB THR 32 5.853 9.792 6.594 227 HG1 THR 32 1HG THR 32 7.719 9.009 7.653 228 HG21 THR 32 3HG2 THR 32 6.290 6.806 6.678 229 HG22 THR 32 1HG2 THR 32 4.705 7.590 6.646 230 HG23 THR 32 2HG2 THR 32 5.779 7.828 8.033 231 HA PRO 33 HA PRO 33 8.199 5.970 2.373 232 HB2 PRO 33 1HB PRO 33 10.925 6.288 2.436 233 HB3 PRO 33 2HB PRO 33 9.772 7.135 1.362 234 HG2 PRO 33 1HG PRO 33 10.994 8.103 3.981 235 HG3 PRO 33 2HG PRO 33 10.849 9.008 2.441 236 HD2 PRO 33 1HD PRO 33 9.080 9.280 4.528 237 HD3 PRO 33 2HD PRO 33 8.575 9.448 2.819 238 H GLU 34 H GLU 34 8.630 6.522 5.694 239 HA GLU 34 HA GLU 34 10.190 4.343 6.537 240 HB2 GLU 34 1HB GLU 34 7.872 5.854 7.769 241 HB3 GLU 34 2HB GLU 34 8.521 4.441 8.561 242 HG2 GLU 34 1HG GLU 34 10.843 5.547 8.316 243 HG3 GLU 34 2HG GLU 34 9.978 7.019 7.857 244 H TYR 35 H TYR 35 7.187 4.112 4.831 245 HA TYR 35 HA TYR 35 6.974 1.219 5.567 246 HB2 TYR 35 1HB TYR 35 4.703 3.096 4.833 247 HB3 TYR 35 2HB TYR 35 4.572 1.417 5.334 248 HD1 TYR 35 1HD TYR 35 5.406 4.852 6.455 249 HD2 TYR 35 2HD TYR 35 4.682 0.793 7.716 250 HE1 TYR 35 1HE TYR 35 5.475 5.591 8.802 251 HE2 TYR 35 2HE TYR 35 4.760 1.562 10.100 252 HH TYR 35 HH TYR 35 5.730 4.860 10.992 253 H ASN 36 H ASN 36 8.005 3.116 3.171 254 HA ASN 36 HA ASN 36 6.581 2.598 0.845 255 HB2 ASN 36 1HB ASN 36 8.776 4.090 1.640 256 HB3 ASN 36 2HB ASN 36 9.542 2.987 0.536 257 HD21 ASN 36 1HD2 ASN 36 7.703 2.853 -1.567 258 HD22 ASN 36 2HD2 ASN 36 7.359 4.518 -2.064 259 H ILE 37 H ILE 37 6.244 0.606 -0.184 260 HA ILE 37 HA ILE 37 8.463 -1.373 -0.283 261 HB ILE 37 HB ILE 37 5.528 -1.922 -0.812 262 HG12 ILE 37 1HG1 ILE 37 6.984 -2.493 1.795 263 HG13 ILE 37 2HG1 ILE 37 5.798 -1.194 1.587 264 HG21 ILE 37 1HG2 ILE 37 7.207 -3.515 -1.772 265 HG22 ILE 37 2HG2 ILE 37 7.875 -3.770 -0.141 266 HG23 ILE 37 3HG2 ILE 37 6.232 -4.275 -0.535 267 HD11 ILE 37 3HD1 ILE 37 4.076 -2.851 0.980 268 HD12 ILE 37 1HD1 ILE 37 5.220 -4.148 1.432 269 HD13 ILE 37 2HD1 ILE 37 4.690 -2.975 2.640 270 H LYS 38 H LYS 38 9.504 -1.396 -2.262 271 HA LYS 38 HA LYS 38 7.870 -1.056 -4.710 272 HB2 LYS 38 1HB LYS 38 10.643 0.112 -4.358 273 HB3 LYS 38 2HB LYS 38 9.598 0.180 -5.783 274 HG2 LYS 38 1HG LYS 38 7.873 1.324 -4.215 275 HG3 LYS 38 2HG LYS 38 9.242 1.635 -3.135 276 HD2 LYS 38 1HD LYS 38 9.145 2.435 -6.071 277 HD3 LYS 38 2HD LYS 38 8.484 3.413 -4.769 278 HE2 LYS 38 1HE LYS 38 10.530 4.392 -5.232 279 HE3 LYS 38 2HE LYS 38 10.766 3.528 -3.713 280 HZ1 LYS 38 3HZ LYS 38 11.567 2.368 -6.308 281 HZ2 LYS 38 1HZ LYS 38 12.095 1.935 -4.827 282 HZ3 LYS 38 2HZ LYS 38 12.551 3.375 -5.478 283 H GLN 39 H GLN 39 9.944 -3.254 -3.091 284 HA GLN 39 HA GLN 39 11.020 -4.485 -5.501 285 HB2 GLN 39 1HB GLN 39 10.731 -5.387 -2.608 286 HB3 GLN 39 2HB GLN 39 11.428 -6.419 -3.849 287 HG2 GLN 39 1HG GLN 39 12.576 -3.664 -3.266 288 HG3 GLN 39 2HG GLN 39 13.071 -5.126 -2.423 289 HE21 GLN 39 1HE2 GLN 39 12.926 -3.685 -5.795 290 HE22 GLN 39 2HE2 GLN 39 14.185 -4.755 -6.361 291 H TRP 40 H TRP 40 8.243 -3.936 -5.879 292 HA TRP 40 HA TRP 40 6.616 -6.252 -5.356 293 HB2 TRP 40 1HB TRP 40 5.024 -5.226 -6.802 294 HB3 TRP 40 2HB TRP 40 5.729 -3.981 -5.775 295 HD1 TRP 40 HD TRP 40 6.847 -1.940 -6.975 296 HE1 TRP 40 1HE TRP 40 7.001 -1.176 -9.419 297 HE3 TRP 40 3HE TRP 40 5.387 -6.284 -9.295 298 HZ2 TRP 40 2HZ TRP 40 6.599 -2.302 -12.031 299 HZ3 TRP 40 3HZ TRP 40 5.333 -6.400 -11.749 300 HH2 TRP 40 HH TRP 40 5.938 -4.421 -13.142 301 H GLN 41 H GLN 41 8.877 -5.356 -7.931 302 HA GLN 41 HA GLN 41 8.337 -7.334 -9.865 303 HB2 GLN 41 1HB GLN 41 10.804 -5.841 -8.909 304 HB3 GLN 41 2HB GLN 41 10.992 -7.104 -10.111 305 HG2 GLN 41 1HG GLN 41 8.986 -4.855 -10.508 306 HG3 GLN 41 2HG GLN 41 10.690 -4.701 -10.946 307 HE21 GLN 41 1HE2 GLN 41 7.650 -5.728 -12.156 308 HE22 GLN 41 2HE2 GLN 41 8.284 -6.688 -13.493 309 H GLN 42 H GLN 42 9.359 -7.883 -6.634 310 HA GLN 42 HA GLN 42 10.390 -10.591 -7.287 311 HB2 GLN 42 1HB GLN 42 11.436 -8.263 -5.732 312 HB3 GLN 42 2HB GLN 42 11.517 -9.774 -4.852 313 HG2 GLN 42 1HG GLN 42 12.400 -9.817 -7.746 314 HG3 GLN 42 2HG GLN 42 13.338 -8.949 -6.562 315 HE21 GLN 42 1HE2 GLN 42 11.478 -12.089 -6.529 316 HE22 GLN 42 2HE2 GLN 42 12.748 -13.052 -5.847 317 H ARG 43 H ARG 43 7.881 -9.141 -6.167 318 HA ARG 43 HA ARG 43 7.167 -11.279 -4.182 319 HB2 ARG 43 1HB ARG 43 6.581 -8.295 -4.095 320 HB3 ARG 43 2HB ARG 43 5.452 -9.446 -3.365 321 HG2 ARG 43 1HG ARG 43 7.219 -10.420 -2.006 322 HG3 ARG 43 2HG ARG 43 8.429 -9.328 -2.693 323 HD2 ARG 43 1HD ARG 43 7.557 -7.461 -1.583 324 HD3 ARG 43 2HD ARG 43 5.935 -8.186 -1.438 325 HE ARG 43 HE ARG 43 7.801 -9.740 0.005 326 HH11 ARG 43 1HH1 ARG 43 6.188 -6.612 0.237 327 HH12 ARG 43 2HH1 ARG 43 6.087 -6.639 1.987 328 HH21 ARG 43 1HH2 ARG 43 7.392 -9.901 2.290 329 HH22 ARG 43 2HH2 ARG 43 6.742 -8.541 3.127 330 H ASN 44 H ASN 44 4.916 -11.892 -4.189 331 HA ASN 44 HA ASN 44 4.062 -12.156 -6.941 332 HB2 ASN 44 1HB ASN 44 2.946 -13.304 -4.363 333 HB3 ASN 44 2HB ASN 44 2.385 -13.726 -5.986 334 HD21 ASN 44 1HD2 ASN 44 3.715 -15.564 -3.994 335 HD22 ASN 44 2HD2 ASN 44 5.119 -16.107 -4.862 336 H LEU 45 H LEU 45 3.781 -9.644 -6.896 337 HA LEU 45 HA LEU 45 0.920 -9.000 -6.407 338 HB2 LEU 45 1HB LEU 45 3.375 -7.709 -5.207 339 HB3 LEU 45 2HB LEU 45 2.008 -6.679 -5.607 340 HG LEU 45 HG LEU 45 1.382 -9.148 -3.994 341 HD11 LEU 45 1HD1 LEU 45 3.248 -8.554 -2.722 342 HD12 LEU 45 2HD1 LEU 45 1.891 -7.781 -1.871 343 HD13 LEU 45 3HD1 LEU 45 2.973 -6.828 -2.896 344 HD21 LEU 45 3HD2 LEU 45 0.366 -6.279 -4.090 345 HD22 LEU 45 1HD2 LEU 45 -0.160 -7.477 -2.879 346 HD23 LEU 45 2HD2 LEU 45 -0.445 -7.751 -4.604 347 HA PRO 46 HA PRO 46 1.358 -7.135 -10.374 348 HB2 PRO 46 1HB PRO 46 -0.519 -5.050 -10.245 349 HB3 PRO 46 2HB PRO 46 -0.942 -6.775 -10.467 350 HG2 PRO 46 1HG PRO 46 -0.924 -5.100 -7.997 351 HG3 PRO 46 2HG PRO 46 -2.124 -6.309 -8.537 352 HD2 PRO 46 1HD PRO 46 -0.215 -6.826 -6.640 353 HD3 PRO 46 2HD PRO 46 -0.770 -8.091 -7.776 354 H ALA 47 H ALA 47 1.885 -5.217 -11.596 355 HA ALA 47 HA ALA 47 3.720 -3.353 -10.473 356 HB1 ALA 47 1HB ALA 47 3.513 -2.196 -12.615 357 HB2 ALA 47 2HB ALA 47 3.502 -3.943 -12.933 358 HB3 ALA 47 3HB ALA 47 1.986 -3.033 -12.961 359 HA PRO 48 HA PRO 48 0.758 -0.986 -8.360 360 HB2 PRO 48 1HB PRO 48 2.122 1.403 -7.926 361 HB3 PRO 48 2HB PRO 48 2.583 -0.136 -7.179 362 HG2 PRO 48 1HG PRO 48 3.810 1.165 -9.596 363 HG3 PRO 48 2HG PRO 48 4.591 0.409 -8.173 364 HD2 PRO 48 1HD PRO 48 4.263 -0.975 -10.479 365 HD3 PRO 48 2HD PRO 48 4.073 -1.754 -8.883 366 H ASP 49 H ASP 49 2.172 1.601 -10.262 367 HA ASP 49 HA ASP 49 0.334 1.944 -12.396 368 HB2 ASP 49 1HB ASP 49 -0.955 2.936 -10.333 369 HB3 ASP 49 2HB ASP 49 0.162 4.275 -10.491 370 H ALA 50 H ALA 50 0.906 4.725 -12.652 371 HA ALA 50 HA ALA 50 3.817 4.668 -13.192 372 HB1 ALA 50 1HB ALA 50 2.231 4.694 -15.117 373 HB2 ALA 50 2HB ALA 50 1.402 6.091 -14.409 374 HB3 ALA 50 3HB ALA 50 3.068 6.267 -15.040 375 H GLY 51 H GLY 51 3.053 5.281 -10.643 376 HA2 GLY 51 2HA GLY 51 4.281 7.437 -9.718 377 HA3 GLY 51 1HA GLY 51 2.821 8.231 -10.334 378 H SER 52 H SER 52 3.316 5.041 -8.752 379 HA SER 52 HA SER 52 2.192 6.048 -6.239 380 HB2 SER 52 1HB SER 52 0.671 4.004 -6.094 381 HB3 SER 52 2HB SER 52 0.154 5.277 -7.209 382 HG SER 52 HG SER 52 0.960 4.056 -8.906 383 H HIS 53 H HIS 53 2.482 4.421 -4.454 384 HA HIS 53 HA HIS 53 4.276 2.216 -5.116 385 HB2 HIS 53 1HB HIS 53 5.639 2.628 -3.084 386 HB3 HIS 53 2HB HIS 53 5.965 3.696 -4.450 387 HD1 HIS 53 1HD HIS 53 5.613 6.401 -4.043 388 HD2 HIS 53 2HD HIS 53 4.762 3.806 -0.786 389 HE1 HIS 53 1HE HIS 53 5.519 7.795 -2.072 390 H TRP 54 H TRP 54 4.367 0.601 -3.333 391 HA TRP 54 HA TRP 54 1.714 0.378 -2.106 392 HB2 TRP 54 1HB TRP 54 3.985 -1.609 -2.503 393 HB3 TRP 54 2HB TRP 54 2.549 -1.937 -1.551 394 HD1 TRP 54 HD TRP 54 3.794 -1.937 -5.101 395 HE1 TRP 54 1HE TRP 54 2.032 -2.899 -6.681 396 HE3 TRP 54 3HE TRP 54 -0.073 -2.297 -1.817 397 HZ2 TRP 54 2HZ TRP 54 -0.770 -3.513 -6.594 398 HZ3 TRP 54 3HZ TRP 54 -2.351 -3.044 -2.589 399 HH2 TRP 54 HH TRP 54 -2.696 -3.605 -4.973 400 H THR 55 H THR 55 1.591 0.113 0.224 401 HA THR 55 HA THR 55 4.030 0.585 1.791 402 HB THR 55 HB THR 55 2.794 2.216 3.192 403 HG1 THR 55 1HG THR 55 0.892 3.104 2.323 404 HG21 THR 55 3HG2 THR 55 2.724 3.039 0.275 405 HG22 THR 55 1HG2 THR 55 4.201 2.949 1.271 406 HG23 THR 55 2HG2 THR 55 2.918 4.088 1.701 407 H TYR 56 H TYR 56 3.314 0.311 4.254 408 HA TYR 56 HA TYR 56 1.592 -2.098 4.429 409 HB2 TYR 56 1HB TYR 56 4.165 -2.187 4.766 410 HB3 TYR 56 2HB TYR 56 3.869 -1.376 6.296 411 HD1 TYR 56 2HD TYR 56 2.549 -4.221 4.260 412 HD2 TYR 56 1HD TYR 56 3.693 -2.853 8.159 413 HE1 TYR 56 2HE TYR 56 2.138 -6.506 5.161 414 HE2 TYR 56 1HE TYR 56 3.344 -5.119 9.076 415 HH TYR 56 HH TYR 56 2.052 -7.831 7.152 416 H MET 57 H MET 57 -0.381 -1.329 5.115 417 HA MET 57 HA MET 57 -0.505 0.732 7.212 418 HB2 MET 57 1HB MET 57 -1.422 1.058 4.825 419 HB3 MET 57 2HB MET 57 -2.648 -0.161 5.199 420 HG2 MET 57 1HG MET 57 -3.351 1.250 7.125 421 HG3 MET 57 2HG MET 57 -2.040 2.361 6.711 422 HE1 MET 57 3HE MET 57 -2.647 4.631 4.741 423 HE2 MET 57 1HE MET 57 -1.725 3.178 4.290 424 HE3 MET 57 2HE MET 57 -3.077 3.719 3.276 425 H GLY 58 H GLY 58 -0.481 -0.611 9.150 426 HA2 GLY 58 2HA GLY 58 -1.615 -1.837 10.762 427 HA3 GLY 58 1HA GLY 58 -3.015 -1.890 9.680 428 H GLY 59 H GLY 59 -0.165 -3.129 8.182 429 HA2 GLY 59 2HA GLY 59 0.580 -5.443 8.211 430 HA3 GLY 59 1HA GLY 59 -1.036 -5.949 8.682 431 H ASN 60 H ASN 60 -1.867 -3.706 6.666 432 HA ASN 60 HA ASN 60 -2.450 -5.526 4.509 433 HB2 ASN 60 1HB ASN 60 -3.381 -2.656 4.961 434 HB3 ASN 60 2HB ASN 60 -4.163 -3.822 3.972 435 HD21 ASN 60 1HD2 ASN 60 -5.019 -2.265 6.488 436 HD22 ASN 60 2HD2 ASN 60 -5.600 -3.442 7.590 437 H TYR 61 H TYR 61 -1.256 -5.451 2.604 438 HA TYR 61 HA TYR 61 0.537 -3.278 1.924 439 HB2 TYR 61 1HB TYR 61 -0.545 -5.495 0.150 440 HB3 TYR 61 2HB TYR 61 0.771 -4.405 -0.198 441 HD1 TYR 61 1HD TYR 61 2.552 -4.334 1.935 442 HD2 TYR 61 2HD TYR 61 0.181 -7.707 0.631 443 HE1 TYR 61 1HE TYR 61 4.198 -5.868 2.922 444 HE2 TYR 61 2HE TYR 61 1.857 -9.242 1.551 445 HH TYR 61 HH TYR 61 3.726 -9.383 3.118 446 H VAL 62 H VAL 62 -0.354 -1.261 1.267 447 HA VAL 62 HA VAL 62 -2.764 -1.416 -0.471 448 HB VAL 62 HB VAL 62 -3.395 0.838 0.459 449 HG11 VAL 62 1HG1 VAL 62 -4.393 -0.222 2.634 450 HG12 VAL 62 2HG1 VAL 62 -4.941 -0.736 1.036 451 HG13 VAL 62 3HG1 VAL 62 -3.787 -1.737 1.973 452 HG21 VAL 62 3HG2 VAL 62 -1.325 1.367 1.603 453 HG22 VAL 62 1HG2 VAL 62 -2.709 1.414 2.708 454 HG23 VAL 62 2HG2 VAL 62 -1.592 0.035 2.758 455 H LEU 63 H LEU 63 -2.852 0.189 -1.956 456 HA LEU 63 HA LEU 63 -0.166 1.239 -2.780 457 HB2 LEU 63 1HB LEU 63 -1.295 -0.464 -4.282 458 HB3 LEU 63 2HB LEU 63 -2.590 0.689 -4.522 459 HG LEU 63 HG LEU 63 -0.809 2.276 -5.576 460 HD11 LEU 63 1HD1 LEU 63 1.074 0.824 -4.354 461 HD12 LEU 63 2HD1 LEU 63 1.351 1.629 -5.886 462 HD13 LEU 63 3HD1 LEU 63 0.944 -0.116 -5.801 463 HD21 LEU 63 3HD2 LEU 63 -2.350 0.791 -6.879 464 HD22 LEU 63 1HD2 LEU 63 -1.075 -0.440 -6.891 465 HD23 LEU 63 2HD2 LEU 63 -0.807 1.169 -7.623 466 H ILE 64 H ILE 64 0.174 3.385 -2.967 467 HA ILE 64 HA ILE 64 -2.156 5.213 -2.810 468 HB ILE 64 HB ILE 64 -0.741 6.562 -1.261 469 HG12 ILE 64 1HG1 ILE 64 0.852 4.098 -0.559 470 HG13 ILE 64 2HG1 ILE 64 1.433 5.135 -1.855 471 HG21 ILE 64 1HG2 ILE 64 -1.569 3.808 -0.253 472 HG22 ILE 64 2HG2 ILE 64 -1.302 5.253 0.734 473 HG23 ILE 64 3HG2 ILE 64 -2.621 5.229 -0.450 474 HD11 ILE 64 3HD1 ILE 64 0.864 6.103 0.964 475 HD12 ILE 64 1HD1 ILE 64 2.459 5.818 0.232 476 HD13 ILE 64 2HD1 ILE 64 1.418 7.084 -0.421 477 H THR 65 H THR 65 -1.944 7.237 -3.999 478 HA THR 65 HA THR 65 0.010 7.152 -6.103 479 HB THR 65 HB THR 65 -1.019 9.769 -6.008 480 HG1 THR 65 1HG THR 65 -3.332 9.088 -5.949 481 HG21 THR 65 3HG2 THR 65 -2.053 7.302 -7.432 482 HG22 THR 65 1HG2 THR 65 -0.789 8.424 -7.995 483 HG23 THR 65 2HG2 THR 65 -2.453 8.988 -7.868 484 H ASP 66 H ASP 66 1.894 8.258 -6.356 485 HA ASP 66 HA ASP 66 3.339 8.973 -4.025 486 HB2 ASP 66 1HB ASP 66 4.037 8.153 -6.466 487 HB3 ASP 66 2HB ASP 66 4.167 9.880 -6.785 488 H THR 67 H THR 67 1.073 10.818 -5.829 489 HA THR 67 HA THR 67 2.182 13.429 -4.957 490 HB THR 67 HB THR 67 2.624 12.723 -7.301 491 HG1 THR 67 1HG THR 67 0.996 15.028 -7.071 492 HG21 THR 67 3HG2 THR 67 0.644 11.435 -7.862 493 HG22 THR 67 1HG2 THR 67 0.816 12.790 -8.979 494 HG23 THR 67 2HG2 THR 67 -0.388 12.870 -7.680 495 H GLU 68 H GLU 68 -0.180 11.354 -4.212 496 HA GLU 68 HA GLU 68 -2.033 13.438 -3.424 497 HB2 GLU 68 1HB GLU 68 -2.985 13.121 -5.602 498 HB3 GLU 68 2HB GLU 68 -2.942 11.360 -5.449 499 HG2 GLU 68 1HG GLU 68 -4.631 11.395 -3.744 500 HG3 GLU 68 2HG GLU 68 -4.536 13.160 -3.605 501 H GLY 69 H GLY 69 -1.122 9.983 -3.399 502 HA2 GLY 69 2HA GLY 69 -1.276 8.470 -1.765 503 HA3 GLY 69 1HA GLY 69 -1.841 9.698 -0.644 504 H LYS 70 H LYS 70 -3.553 9.190 -3.649 505 HA LYS 70 HA LYS 70 -6.009 8.487 -2.290 506 HB2 LYS 70 1HB LYS 70 -5.354 9.370 -4.908 507 HB3 LYS 70 2HB LYS 70 -5.851 7.704 -5.124 508 HG2 LYS 70 1HG LYS 70 -7.808 8.694 -3.382 509 HG3 LYS 70 2HG LYS 70 -7.459 10.093 -4.376 510 HD2 LYS 70 1HD LYS 70 -8.201 7.300 -5.333 511 HD3 LYS 70 2HD LYS 70 -9.311 8.654 -5.217 512 HE2 LYS 70 1HE LYS 70 -6.890 8.510 -7.043 513 HE3 LYS 70 2HE LYS 70 -8.582 8.260 -7.511 514 HZ1 LYS 70 3HZ LYS 70 -7.392 10.761 -6.491 515 HZ2 LYS 70 1HZ LYS 70 -9.026 10.534 -6.744 516 HZ3 LYS 70 2HZ LYS 70 -7.935 10.518 -7.991 517 H ILE 71 H ILE 71 -6.732 6.565 -1.831 518 HA ILE 71 HA ILE 71 -5.026 4.266 -1.707 519 HB ILE 71 HB ILE 71 -8.007 4.635 -1.120 520 HG12 ILE 71 1HG1 ILE 71 -5.535 4.792 0.681 521 HG13 ILE 71 2HG1 ILE 71 -6.482 6.166 0.203 522 HG21 ILE 71 1HG2 ILE 71 -7.361 2.237 -1.424 523 HG22 ILE 71 2HG2 ILE 71 -6.084 2.433 -0.199 524 HG23 ILE 71 3HG2 ILE 71 -7.802 2.588 0.235 525 HD11 ILE 71 3HD1 ILE 71 -7.109 5.677 2.375 526 HD12 ILE 71 1HD1 ILE 71 -8.461 5.094 1.379 527 HD13 ILE 71 2HD1 ILE 71 -7.272 3.940 2.061 528 H LEU 72 H LEU 72 -4.461 3.733 -3.735 529 HA LEU 72 HA LEU 72 -6.315 3.455 -5.953 530 HB2 LEU 72 1HB LEU 72 -3.538 2.302 -5.639 531 HB3 LEU 72 2HB LEU 72 -4.471 2.422 -7.117 532 HG LEU 72 HG LEU 72 -3.054 4.582 -5.542 533 HD11 LEU 72 1HD1 LEU 72 -2.062 5.062 -7.764 534 HD12 LEU 72 2HD1 LEU 72 -3.062 3.793 -8.490 535 HD13 LEU 72 3HD1 LEU 72 -1.821 3.374 -7.302 536 HD21 LEU 72 3HD2 LEU 72 -4.994 5.168 -7.809 537 HD22 LEU 72 1HD2 LEU 72 -4.016 6.342 -6.913 538 HD23 LEU 72 2HD2 LEU 72 -5.335 5.517 -6.100 539 H LYS 73 H LYS 73 -4.675 1.164 -3.686 540 HA LYS 73 HA LYS 73 -6.730 -0.859 -4.189 541 HB2 LYS 73 1HB LYS 73 -3.802 -1.311 -4.938 542 HB3 LYS 73 2HB LYS 73 -5.038 -2.570 -4.891 543 HG2 LYS 73 1HG LYS 73 -6.260 -1.533 -6.747 544 HG3 LYS 73 2HG LYS 73 -5.161 -0.163 -6.738 545 HD2 LYS 73 1HD LYS 73 -4.353 -1.400 -8.502 546 HD3 LYS 73 2HD LYS 73 -3.249 -1.783 -7.193 547 HE2 LYS 73 1HE LYS 73 -3.747 -3.814 -8.375 548 HE3 LYS 73 2HE LYS 73 -4.550 -3.907 -6.789 549 HZ1 LYS 73 3HZ LYS 73 -6.630 -3.434 -7.827 550 HZ2 LYS 73 1HZ LYS 73 -5.927 -4.606 -8.726 551 HZ3 LYS 73 2HZ LYS 73 -5.899 -3.084 -9.281 552 H VAL 74 H VAL 74 -6.189 -2.850 -2.930 553 HA VAL 74 HA VAL 74 -4.362 -2.804 -0.731 554 HB VAL 74 HB VAL 74 -6.356 -1.958 0.429 555 HG11 VAL 74 1HG1 VAL 74 -7.812 -1.902 -1.125 556 HG12 VAL 74 2HG1 VAL 74 -8.028 -3.686 -1.130 557 HG13 VAL 74 3HG1 VAL 74 -8.399 -2.628 0.331 558 HG21 VAL 74 3HG2 VAL 74 -6.475 -4.893 0.864 559 HG22 VAL 74 1HG2 VAL 74 -5.301 -3.776 1.614 560 HG23 VAL 74 2HG2 VAL 74 -6.998 -3.575 1.938 561 H TYR 75 H TYR 75 -3.568 -4.798 -0.546 562 HA TYR 75 HA TYR 75 -5.237 -7.111 -1.322 563 HB2 TYR 75 1HB TYR 75 -2.343 -6.858 -2.224 564 HB3 TYR 75 2HB TYR 75 -3.272 -8.355 -2.230 565 HD1 TYR 75 1HD TYR 75 -5.779 -7.923 -3.408 566 HD2 TYR 75 2HD TYR 75 -2.084 -5.932 -4.316 567 HE1 TYR 75 1HE TYR 75 -6.576 -7.527 -5.696 568 HE2 TYR 75 2HE TYR 75 -2.854 -5.525 -6.623 569 HH TYR 75 HH TYR 75 -4.484 -6.542 -8.281 570 H ASP 76 H ASP 76 -5.428 -8.055 0.739 571 HA ASP 76 HA ASP 76 -3.830 -7.501 2.899 572 HB2 ASP 76 1HB ASP 76 -5.988 -8.666 3.073 573 HB3 ASP 76 2HB ASP 76 -5.234 -10.148 2.487 574 H GLY 77 H GLY 77 -2.201 -8.375 4.098 575 HA2 GLY 77 2HA GLY 77 0.129 -9.039 2.899 576 HA3 GLY 77 1HA GLY 77 -0.271 -9.470 4.544 577 H GLU 78 H GLU 78 -2.447 -11.397 3.543 578 HA GLU 78 HA GLU 78 -1.130 -13.854 3.484 579 HB2 GLU 78 1HB GLU 78 -3.731 -12.937 2.221 580 HB3 GLU 78 2HB GLU 78 -3.260 -14.636 2.311 581 HG2 GLU 78 1HG GLU 78 -3.305 -13.026 4.859 582 HG3 GLU 78 2HG GLU 78 -4.826 -13.504 4.124 583 H ILE 79 H ILE 79 -1.657 -11.597 0.786 584 HA ILE 79 HA ILE 79 -1.215 -13.404 -1.349 585 HB ILE 79 HB ILE 79 -2.254 -11.124 -1.424 586 HG12 ILE 79 1HG1 ILE 79 0.006 -11.484 -3.413 587 HG13 ILE 79 2HG1 ILE 79 -1.472 -12.449 -3.432 588 HG21 ILE 79 1HG2 ILE 79 -1.010 -9.120 -1.442 589 HG22 ILE 79 2HG2 ILE 79 -0.296 -10.016 -0.106 590 HG23 ILE 79 3HG2 ILE 79 0.549 -9.968 -1.655 591 HD11 ILE 79 3HD1 ILE 79 -1.410 -10.504 -5.047 592 HD12 ILE 79 1HD1 ILE 79 -2.829 -10.556 -3.986 593 HD13 ILE 79 2HD1 ILE 79 -1.523 -9.426 -3.650 594 H PHE 80 H PHE 80 1.084 -12.072 0.910 595 HA PHE 80 HA PHE 80 3.417 -12.044 -0.770 596 HB2 PHE 80 1HB PHE 80 3.260 -10.855 1.355 597 HB3 PHE 80 2HB PHE 80 2.997 -12.364 2.223 598 HD1 PHE 80 2HD PHE 80 5.683 -11.775 -0.382 599 HD2 PHE 80 1HD PHE 80 4.688 -12.187 3.799 600 HE1 PHE 80 2HE PHE 80 8.091 -11.960 0.180 601 HE2 PHE 80 1HE PHE 80 7.073 -12.305 4.358 602 HZ PHE 80 HZ PHE 80 8.791 -12.173 2.572 603 H TYR 81 H TYR 81 1.693 -14.598 0.959 604 HA TYR 81 HA TYR 81 3.874 -16.535 0.671 605 HB2 TYR 81 1HB TYR 81 1.102 -16.955 1.831 606 HB3 TYR 81 2HB TYR 81 2.575 -17.867 2.163 607 HD1 TYR 81 2HD TYR 81 4.608 -16.383 3.117 608 HD2 TYR 81 1HD TYR 81 0.424 -15.356 3.422 609 HE1 TYR 81 2HE TYR 81 5.131 -14.786 4.921 610 HE2 TYR 81 1HE TYR 81 0.952 -13.738 5.214 611 HH TYR 81 HH TYR 81 4.193 -13.537 6.637 612 H HIS 82 H HIS 82 1.864 -15.409 -1.600 613 HA HIS 82 HA HIS 82 0.402 -17.773 -2.337 614 HB2 HIS 82 1HB HIS 82 -0.058 -15.208 -2.796 615 HB3 HIS 82 2HB HIS 82 0.948 -15.482 -4.234 616 HD1 HIS 82 1HD HIS 82 -1.879 -17.595 -2.565 617 HD2 HIS 82 2HD HIS 82 -0.796 -15.741 -6.211 618 HE1 HIS 82 1HE HIS 82 -3.670 -18.235 -4.311 619 H ARG 83 H ARG 83 0.642 -18.441 -4.821 620 HA ARG 83 HA ARG 83 3.410 -19.482 -5.045 621 HB2 ARG 83 1HB ARG 83 0.687 -20.369 -6.004 622 HB3 ARG 83 2HB ARG 83 2.094 -20.883 -6.894 623 HG2 ARG 83 1HG ARG 83 1.845 -21.263 -3.896 624 HG3 ARG 83 2HG ARG 83 1.215 -22.442 -5.045 625 HD2 ARG 83 1HD ARG 83 4.098 -21.557 -5.007 626 HD3 ARG 83 2HD ARG 83 3.504 -22.976 -4.139 627 HE ARG 83 HE ARG 83 3.724 -22.547 -7.064 628 HH11 ARG 83 1HH1 ARG 83 3.058 -24.892 -4.420 629 HH12 ARG 83 2HH1 ARG 83 3.023 -26.234 -5.509 630 HH21 ARG 83 1HH2 ARG 83 3.600 -24.413 -8.453 631 HH22 ARG 83 2HH2 ARG 83 3.373 -25.981 -7.725 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -12.850 -21.642 -11.642 2 HA2 GLY 1 2HA GLY 1 -13.286 -19.247 -11.528 3 HA3 GLY 1 1HA GLY 1 -13.014 -19.352 -9.773 4 H ALA 2 H ALA 2 -11.515 -17.545 -10.971 5 HA ALA 2 HA ALA 2 -9.041 -18.478 -12.141 6 HB1 ALA 2 1HB ALA 2 -9.866 -15.777 -10.979 7 HB2 ALA 2 2HB ALA 2 -8.422 -16.077 -11.951 8 HB3 ALA 2 3HB ALA 2 -10.009 -16.286 -12.681 9 H ALA 3 H ALA 3 -6.946 -17.584 -11.072 10 HA ALA 3 HA ALA 3 -6.758 -17.945 -8.175 11 HB1 ALA 3 1HB ALA 3 -5.189 -19.864 -8.399 12 HB2 ALA 3 2HB ALA 3 -6.821 -20.275 -8.925 13 HB3 ALA 3 3HB ALA 3 -5.550 -19.955 -10.137 14 H GLY 4 H GLY 4 -6.301 -15.636 -9.410 15 HA2 GLY 4 2HA GLY 4 -3.363 -15.408 -9.926 16 HA3 GLY 4 1HA GLY 4 -4.594 -14.173 -10.253 17 H ILE 5 H ILE 5 -5.076 -12.741 -8.784 18 HA ILE 5 HA ILE 5 -4.170 -13.122 -5.991 19 HB ILE 5 HB ILE 5 -3.245 -10.805 -6.016 20 HG12 ILE 5 1HG1 ILE 5 -3.167 -10.948 -9.051 21 HG13 ILE 5 2HG1 ILE 5 -4.418 -10.072 -8.161 22 HG21 ILE 5 1HG2 ILE 5 -1.910 -12.930 -6.220 23 HG22 ILE 5 2HG2 ILE 5 -1.774 -12.587 -7.976 24 HG23 ILE 5 3HG2 ILE 5 -1.098 -11.468 -6.781 25 HD11 ILE 5 3HD1 ILE 5 -2.672 -8.774 -6.976 26 HD12 ILE 5 1HD1 ILE 5 -1.437 -9.523 -8.015 27 HD13 ILE 5 2HD1 ILE 5 -2.699 -8.498 -8.731 28 H ASP 6 H ASP 6 -6.539 -11.872 -8.180 29 HA ASP 6 HA ASP 6 -7.308 -9.522 -6.813 30 HB2 ASP 6 1HB ASP 6 -7.719 -10.210 -9.160 31 HB3 ASP 6 2HB ASP 6 -8.921 -11.356 -8.587 32 H GLN 7 H GLN 7 -8.003 -12.791 -6.213 33 HA GLN 7 HA GLN 7 -10.222 -12.791 -4.484 34 HB2 GLN 7 1HB GLN 7 -9.308 -14.893 -3.681 35 HB3 GLN 7 2HB GLN 7 -9.074 -14.778 -5.421 36 HG2 GLN 7 1HG GLN 7 -6.676 -13.917 -4.861 37 HG3 GLN 7 2HG GLN 7 -7.025 -14.467 -3.218 38 HE21 GLN 7 1HE2 GLN 7 -4.988 -15.481 -5.431 39 HE22 GLN 7 2HE2 GLN 7 -5.402 -17.183 -5.447 40 H TYR 8 H TYR 8 -6.938 -11.548 -3.858 41 HA TYR 8 HA TYR 8 -7.482 -11.182 -0.978 42 HB2 TYR 8 1HB TYR 8 -5.070 -10.707 -2.757 43 HB3 TYR 8 2HB TYR 8 -5.106 -10.334 -1.039 44 HD1 TYR 8 2HD TYR 8 -5.386 -12.086 0.642 45 HD2 TYR 8 1HD TYR 8 -4.613 -12.984 -3.515 46 HE1 TYR 8 2HE TYR 8 -4.944 -14.418 1.258 47 HE2 TYR 8 1HE TYR 8 -4.367 -15.372 -2.922 48 HH TYR 8 HH TYR 8 -4.668 -16.541 0.486 49 H ALA 9 H ALA 9 -8.458 -9.443 -3.698 50 HA ALA 9 HA ALA 9 -7.492 -6.852 -2.760 51 HB1 ALA 9 1HB ALA 9 -9.432 -7.524 -5.030 52 HB2 ALA 9 2HB ALA 9 -8.717 -5.936 -4.692 53 HB3 ALA 9 3HB ALA 9 -7.682 -7.279 -5.231 54 H LEU 10 H LEU 10 -8.459 -5.782 -1.288 55 HA LEU 10 HA LEU 10 -11.033 -6.673 -0.295 56 HB2 LEU 10 1HB LEU 10 -9.599 -4.343 0.955 57 HB3 LEU 10 2HB LEU 10 -10.957 -5.210 1.572 58 HG LEU 10 HG LEU 10 -9.558 -7.332 1.584 59 HD11 LEU 10 1HD1 LEU 10 -7.046 -6.310 1.856 60 HD12 LEU 10 2HD1 LEU 10 -7.793 -5.247 0.602 61 HD13 LEU 10 3HD1 LEU 10 -7.826 -6.990 0.391 62 HD21 LEU 10 3HD2 LEU 10 -10.133 -6.218 3.679 63 HD22 LEU 10 1HD2 LEU 10 -8.941 -4.946 3.374 64 HD23 LEU 10 2HD2 LEU 10 -8.409 -6.620 3.731 65 H LYS 11 H LYS 11 -12.004 -4.402 0.544 66 HA LYS 11 HA LYS 11 -12.488 -2.515 -1.747 67 HB2 LYS 11 1HB LYS 11 -14.501 -3.374 0.360 68 HB3 LYS 11 2HB LYS 11 -14.813 -2.299 -0.998 69 HG2 LYS 11 1HG LYS 11 -15.576 -4.120 -1.982 70 HG3 LYS 11 2HG LYS 11 -13.923 -4.468 -2.375 71 HD2 LYS 11 1HD LYS 11 -14.662 -6.495 -1.621 72 HD3 LYS 11 2HD LYS 11 -13.992 -5.878 -0.101 73 HE2 LYS 11 1HE LYS 11 -16.891 -5.284 -0.760 74 HE3 LYS 11 2HE LYS 11 -16.474 -6.947 -0.378 75 HZ1 LYS 11 3HZ LYS 11 -17.144 -5.818 1.593 76 HZ2 LYS 11 1HZ LYS 11 -16.011 -4.652 1.433 77 HZ3 LYS 11 2HZ LYS 11 -15.560 -6.218 1.710 78 H GLU 12 H GLU 12 -11.663 -2.980 1.623 79 HA GLU 12 HA GLU 12 -11.601 -0.196 2.320 80 HB2 GLU 12 1HB GLU 12 -13.506 -0.353 3.905 81 HB3 GLU 12 2HB GLU 12 -14.055 -0.673 2.272 82 HG2 GLU 12 1HG GLU 12 -13.531 -3.220 2.996 83 HG3 GLU 12 2HG GLU 12 -13.752 -2.561 4.601 84 H PHE 13 H PHE 13 -11.247 -0.090 4.793 85 HA PHE 13 HA PHE 13 -10.794 -2.386 6.317 86 HB2 PHE 13 1HB PHE 13 -8.374 -2.272 6.676 87 HB3 PHE 13 2HB PHE 13 -8.740 -2.645 5.020 88 HD1 PHE 13 1HD PHE 13 -8.487 -0.831 3.223 89 HD2 PHE 13 2HD PHE 13 -7.031 -0.374 7.245 90 HE1 PHE 13 1HE PHE 13 -6.971 0.992 2.476 91 HE2 PHE 13 2HE PHE 13 -5.490 1.392 6.502 92 HZ PHE 13 HZ PHE 13 -5.482 2.113 4.091 93 H THR 14 H THR 14 -9.406 -1.579 8.404 94 HA THR 14 HA THR 14 -9.773 1.327 8.815 95 HB THR 14 HB THR 14 -10.080 -0.709 11.037 96 HG1 THR 14 1HG THR 14 -12.071 -0.922 10.659 97 HG21 THR 14 3HG2 THR 14 -11.086 1.112 12.292 98 HG22 THR 14 1HG2 THR 14 -10.999 2.188 10.888 99 HG23 THR 14 2HG2 THR 14 -9.504 1.641 11.690 100 H ALA 15 H ALA 15 -7.855 2.225 9.618 101 HA ALA 15 HA ALA 15 -6.012 0.594 11.120 102 HB1 ALA 15 1HB ALA 15 -5.079 0.268 8.798 103 HB2 ALA 15 2HB ALA 15 -4.979 2.040 8.624 104 HB3 ALA 15 3HB ALA 15 -3.997 1.207 9.843 105 H ASP 16 H ASP 16 -4.616 2.113 12.390 106 HA ASP 16 HA ASP 16 -4.318 4.025 13.559 107 HB2 ASP 16 1HB ASP 16 -3.963 4.599 10.853 108 HB3 ASP 16 2HB ASP 16 -4.957 5.921 11.364 109 H PHE 17 H PHE 17 -6.913 2.911 13.528 110 HA PHE 17 HA PHE 17 -9.072 3.285 14.242 111 HB2 PHE 17 1HB PHE 17 -7.998 5.823 15.442 112 HB3 PHE 17 2HB PHE 17 -9.350 4.838 16.005 113 HD1 PHE 17 2HD PHE 17 -8.888 2.550 17.025 114 HD2 PHE 17 1HD PHE 17 -5.711 5.297 16.021 115 HE1 PHE 17 2HE PHE 17 -7.285 1.201 18.353 116 HE2 PHE 17 1HE PHE 17 -4.116 3.937 17.325 117 HZ PHE 17 HZ PHE 17 -4.881 1.886 18.481 118 H THR 18 H THR 18 -8.262 4.250 11.576 119 HA THR 18 HA THR 18 -10.388 6.219 11.000 120 HB THR 18 HB THR 18 -7.610 5.895 9.760 121 HG1 THR 18 1HG THR 18 -7.534 6.833 11.837 122 HG21 THR 18 3HG2 THR 18 -9.273 6.741 8.170 123 HG22 THR 18 1HG2 THR 18 -8.109 7.997 8.587 124 HG23 THR 18 2HG2 THR 18 -9.744 8.022 9.305 125 H GLN 19 H GLN 19 -11.806 5.388 9.508 126 HA GLN 19 HA GLN 19 -11.378 2.744 8.326 127 HB2 GLN 19 1HB GLN 19 -13.540 3.700 9.280 128 HB3 GLN 19 2HB GLN 19 -13.640 4.743 7.869 129 HG2 GLN 19 1HG GLN 19 -14.476 3.062 6.606 130 HG3 GLN 19 2HG GLN 19 -13.185 1.953 7.059 131 HE21 GLN 19 1HE2 GLN 19 -13.387 0.709 9.138 132 HE22 GLN 19 2HE2 GLN 19 -15.002 0.369 9.666 133 H PHE 20 H PHE 20 -11.341 2.381 5.988 134 HA PHE 20 HA PHE 20 -10.905 4.707 4.198 135 HB2 PHE 20 1HB PHE 20 -8.979 2.372 4.527 136 HB3 PHE 20 2HB PHE 20 -8.876 3.605 3.295 137 HD1 PHE 20 2HD PHE 20 -8.239 5.989 3.941 138 HD2 PHE 20 1HD PHE 20 -8.162 2.728 6.747 139 HE1 PHE 20 2HE PHE 20 -6.730 7.303 5.412 140 HE2 PHE 20 1HE PHE 20 -6.624 4.037 8.205 141 HZ PHE 20 HZ PHE 20 -5.909 6.314 7.547 142 H HIS 21 H HIS 21 -11.066 4.134 1.972 143 HA HIS 21 HA HIS 21 -12.203 1.499 1.295 144 HB2 HIS 21 1HB HIS 21 -13.359 4.159 0.413 145 HB3 HIS 21 2HB HIS 21 -13.990 2.559 0.093 146 HD1 HIS 21 1HD HIS 21 -13.844 5.189 2.858 147 HD2 HIS 21 2HD HIS 21 -15.274 1.278 2.138 148 HE1 HIS 21 1HE HIS 21 -15.400 4.583 4.820 149 H ILE 22 H ILE 22 -12.175 1.217 -1.157 150 HA ILE 22 HA ILE 22 -9.781 2.240 -2.449 151 HB ILE 22 HB ILE 22 -12.301 1.111 -3.745 152 HG12 ILE 22 1HG1 ILE 22 -11.470 -0.590 -2.279 153 HG13 ILE 22 2HG1 ILE 22 -11.149 -1.033 -3.942 154 HG21 ILE 22 1HG2 ILE 22 -9.487 1.522 -4.832 155 HG22 ILE 22 2HG2 ILE 22 -10.756 0.580 -5.649 156 HG23 ILE 22 3HG2 ILE 22 -10.982 2.305 -5.374 157 HD11 ILE 22 3HD1 ILE 22 -9.114 0.059 -1.965 158 HD12 ILE 22 1HD1 ILE 22 -9.282 -1.629 -2.485 159 HD13 ILE 22 2HD1 ILE 22 -8.761 -0.390 -3.655 160 H GLY 23 H GLY 23 -9.532 4.301 -3.014 161 HA2 GLY 23 2HA GLY 23 -10.158 6.226 -4.254 162 HA3 GLY 23 1HA GLY 23 -11.855 5.894 -3.949 163 H ASP 24 H ASP 24 -10.557 5.420 -0.928 164 HA ASP 24 HA ASP 24 -10.946 8.230 -0.083 165 HB2 ASP 24 1HB ASP 24 -10.179 5.698 1.405 166 HB3 ASP 24 2HB ASP 24 -10.134 7.290 2.144 167 H THR 25 H THR 25 -8.831 8.923 1.495 168 HA THR 25 HA THR 25 -6.372 8.408 -0.098 169 HB THR 25 HB THR 25 -6.767 10.939 1.441 170 HG1 THR 25 1HG THR 25 -8.627 11.027 0.339 171 HG21 THR 25 3HG2 THR 25 -4.651 10.479 0.232 172 HG22 THR 25 1HG2 THR 25 -5.484 11.924 -0.358 173 HG23 THR 25 2HG2 THR 25 -5.581 10.429 -1.293 174 H VAL 26 H VAL 26 -4.362 8.488 1.240 175 HA VAL 26 HA VAL 26 -4.875 7.611 4.041 176 HB VAL 26 HB VAL 26 -2.561 6.942 4.126 177 HG11 VAL 26 1HG1 VAL 26 -2.677 5.028 2.689 178 HG12 VAL 26 2HG1 VAL 26 -4.299 5.389 3.274 179 HG13 VAL 26 3HG1 VAL 26 -3.845 5.843 1.617 180 HG21 VAL 26 3HG2 VAL 26 -1.001 7.031 2.307 181 HG22 VAL 26 1HG2 VAL 26 -2.196 7.741 1.217 182 HG23 VAL 26 2HG2 VAL 26 -1.607 8.654 2.598 183 HA PRO 27 HA PRO 27 -3.036 11.557 5.436 184 HB2 PRO 27 1HB PRO 27 -1.962 10.807 7.844 185 HB3 PRO 27 2HB PRO 27 -3.717 10.974 7.571 186 HG2 PRO 27 1HG PRO 27 -2.060 8.478 7.512 187 HG3 PRO 27 2HG PRO 27 -3.611 8.753 8.382 188 HD2 PRO 27 1HD PRO 27 -3.561 7.517 5.977 189 HD3 PRO 27 2HD PRO 27 -4.868 8.645 6.419 190 H ALA 28 H ALA 28 -0.909 12.478 5.851 191 HA ALA 28 HA ALA 28 1.144 11.491 4.233 192 HB1 ALA 28 1HB ALA 28 1.174 13.549 6.452 193 HB2 ALA 28 2HB ALA 28 2.534 13.250 5.341 194 HB3 ALA 28 3HB ALA 28 0.993 13.823 4.703 195 H MET 29 H MET 29 0.327 10.581 7.442 196 HA MET 29 HA MET 29 2.733 9.678 8.494 197 HB2 MET 29 1HB MET 29 0.014 8.340 8.675 198 HB3 MET 29 2HB MET 29 1.328 8.145 9.825 199 HG2 MET 29 1HG MET 29 -0.068 10.808 9.304 200 HG3 MET 29 2HG MET 29 -0.583 9.655 10.494 201 HE1 MET 29 3HE MET 29 0.752 11.179 13.491 202 HE2 MET 29 1HE MET 29 -0.621 11.382 12.367 203 HE3 MET 29 2HE MET 29 -0.066 9.750 12.820 204 H TYR 30 H TYR 30 0.883 8.350 5.804 205 HA TYR 30 HA TYR 30 2.796 6.019 5.683 206 HB2 TYR 30 1HB TYR 30 0.069 6.349 4.389 207 HB3 TYR 30 2HB TYR 30 1.065 4.904 4.419 208 HD1 TYR 30 1HD TYR 30 1.524 3.775 6.705 209 HD2 TYR 30 2HD TYR 30 -1.405 6.862 6.176 210 HE1 TYR 30 1HE TYR 30 0.307 2.930 8.686 211 HE2 TYR 30 2HE TYR 30 -2.577 6.108 8.250 212 HH TYR 30 HH TYR 30 -1.923 4.678 10.380 213 H LEU 31 H LEU 31 2.237 9.062 4.194 214 HA LEU 31 HA LEU 31 2.996 8.339 1.445 215 HB2 LEU 31 1HB LEU 31 2.890 10.943 3.023 216 HB3 LEU 31 2HB LEU 31 3.730 10.863 1.505 217 HG LEU 31 HG LEU 31 1.440 11.802 1.349 218 HD11 LEU 31 1HD1 LEU 31 1.882 9.291 -0.299 219 HD12 LEU 31 2HD1 LEU 31 2.584 10.890 -0.650 220 HD13 LEU 31 3HD1 LEU 31 0.822 10.641 -0.711 221 HD21 LEU 31 3HD2 LEU 31 0.501 8.941 1.678 222 HD22 LEU 31 1HD2 LEU 31 -0.491 10.374 1.298 223 HD23 LEU 31 2HD2 LEU 31 0.267 10.223 2.871 224 H THR 32 H THR 32 4.550 9.191 4.449 225 HA THR 32 HA THR 32 7.148 9.799 3.741 226 HB THR 32 HB THR 32 6.095 9.904 5.978 227 HG1 THR 32 1HG THR 32 7.797 9.059 7.217 228 HG21 THR 32 3HG2 THR 32 5.775 8.005 7.401 229 HG22 THR 32 1HG2 THR 32 6.489 6.917 6.198 230 HG23 THR 32 2HG2 THR 32 4.917 7.682 5.908 231 HA PRO 33 HA PRO 33 8.482 6.114 1.729 232 HB2 PRO 33 1HB PRO 33 11.215 6.186 1.955 233 HB3 PRO 33 2HB PRO 33 10.269 7.299 0.929 234 HG2 PRO 33 1HG PRO 33 11.323 7.787 3.723 235 HG3 PRO 33 2HG PRO 33 11.442 8.861 2.296 236 HD2 PRO 33 1HD PRO 33 9.512 9.185 4.198 237 HD3 PRO 33 2HD PRO 33 9.162 9.478 2.463 238 H GLU 34 H GLU 34 8.936 6.413 5.118 239 HA GLU 34 HA GLU 34 10.501 4.246 5.814 240 HB2 GLU 34 1HB GLU 34 8.203 5.712 7.139 241 HB3 GLU 34 2HB GLU 34 8.836 4.278 7.908 242 HG2 GLU 34 1HG GLU 34 11.205 5.493 7.422 243 HG3 GLU 34 2HG GLU 34 10.192 6.934 7.357 244 H TYR 35 H TYR 35 7.178 4.045 4.660 245 HA TYR 35 HA TYR 35 7.049 1.172 5.443 246 HB2 TYR 35 1HB TYR 35 4.802 3.155 5.039 247 HB3 TYR 35 2HB TYR 35 4.627 1.529 5.614 248 HD1 TYR 35 2HD TYR 35 5.607 0.911 7.944 249 HD2 TYR 35 1HD TYR 35 5.492 4.947 6.446 250 HE1 TYR 35 2HE TYR 35 5.854 1.790 10.255 251 HE2 TYR 35 1HE TYR 35 5.642 5.835 8.719 252 HH TYR 35 HH TYR 35 5.938 3.692 11.588 253 H ASN 36 H ASN 36 7.856 2.905 2.869 254 HA ASN 36 HA ASN 36 6.101 1.936 0.762 255 HB2 ASN 36 1HB ASN 36 7.101 4.188 0.759 256 HB3 ASN 36 2HB ASN 36 8.727 3.485 0.767 257 HD21 ASN 36 1HD2 ASN 36 8.062 5.321 -1.140 258 HD22 ASN 36 2HD2 ASN 36 7.953 4.542 -2.688 259 H ILE 37 H ILE 37 6.342 -0.019 -0.131 260 HA ILE 37 HA ILE 37 8.930 -1.481 0.140 261 HB ILE 37 HB ILE 37 6.308 -2.744 -0.611 262 HG12 ILE 37 1HG1 ILE 37 6.508 -3.560 1.972 263 HG13 ILE 37 2HG1 ILE 37 7.019 -1.879 2.144 264 HG21 ILE 37 1HG2 ILE 37 8.791 -3.869 0.719 265 HG22 ILE 37 2HG2 ILE 37 7.329 -4.771 0.264 266 HG23 ILE 37 3HG2 ILE 37 8.328 -4.038 -0.993 267 HD11 ILE 37 3HD1 ILE 37 4.523 -2.804 0.655 268 HD12 ILE 37 1HD1 ILE 37 4.543 -2.269 2.341 269 HD13 ILE 37 2HD1 ILE 37 4.985 -1.146 1.042 270 H LYS 38 H LYS 38 9.714 -0.033 -1.638 271 HA LYS 38 HA LYS 38 8.471 0.041 -4.176 272 HB2 LYS 38 1HB LYS 38 11.399 0.392 -3.398 273 HB3 LYS 38 2HB LYS 38 10.785 0.667 -5.024 274 HG2 LYS 38 1HG LYS 38 9.125 2.322 -4.064 275 HG3 LYS 38 2HG LYS 38 9.985 2.192 -2.519 276 HD2 LYS 38 1HD LYS 38 11.249 3.071 -5.151 277 HD3 LYS 38 2HD LYS 38 10.651 4.167 -3.896 278 HE2 LYS 38 1HE LYS 38 12.213 3.312 -2.276 279 HE3 LYS 38 2HE LYS 38 12.760 2.039 -3.370 280 HZ1 LYS 38 3HZ LYS 38 13.616 3.813 -4.827 281 HZ2 LYS 38 1HZ LYS 38 14.328 3.791 -3.355 282 HZ3 LYS 38 2HZ LYS 38 13.216 4.941 -3.723 283 H GLN 39 H GLN 39 10.562 -2.478 -2.794 284 HA GLN 39 HA GLN 39 10.840 -3.974 -5.259 285 HB2 GLN 39 1HB GLN 39 11.563 -5.765 -3.708 286 HB3 GLN 39 2HB GLN 39 12.429 -4.253 -3.508 287 HG2 GLN 39 1HG GLN 39 10.749 -3.810 -1.518 288 HG3 GLN 39 2HG GLN 39 10.434 -5.545 -1.631 289 HE21 GLN 39 1HE2 GLN 39 12.467 -6.998 -1.570 290 HE22 GLN 39 2HE2 GLN 39 13.772 -6.452 -0.557 291 H TRP 40 H TRP 40 8.912 -4.513 -6.302 292 HA TRP 40 HA TRP 40 6.843 -5.857 -4.604 293 HB2 TRP 40 1HB TRP 40 5.071 -4.801 -5.832 294 HB3 TRP 40 2HB TRP 40 6.052 -3.625 -5.003 295 HD1 TRP 40 HD TRP 40 7.002 -1.680 -6.365 296 HE1 TRP 40 1HE TRP 40 7.118 -0.998 -8.832 297 HE3 TRP 40 3HE TRP 40 4.947 -5.895 -8.456 298 HZ2 TRP 40 2HZ TRP 40 6.652 -2.272 -11.412 299 HZ3 TRP 40 3HZ TRP 40 4.899 -6.166 -10.888 300 HH2 TRP 40 HH TRP 40 5.827 -4.431 -12.382 301 H GLN 41 H GLN 41 8.862 -6.191 -7.383 302 HA GLN 41 HA GLN 41 6.920 -7.941 -8.715 303 HB2 GLN 41 1HB GLN 41 9.071 -6.435 -9.627 304 HB3 GLN 41 2HB GLN 41 9.707 -8.072 -9.712 305 HG2 GLN 41 1HG GLN 41 7.748 -8.794 -11.037 306 HG3 GLN 41 2HG GLN 41 6.997 -7.232 -10.838 307 HE21 GLN 41 1HE2 GLN 41 9.237 -5.467 -11.448 308 HE22 GLN 41 2HE2 GLN 41 9.403 -5.638 -13.165 309 H GLN 42 H GLN 42 9.701 -8.349 -6.538 310 HA GLN 42 HA GLN 42 9.364 -11.302 -6.635 311 HB2 GLN 42 1HB GLN 42 11.330 -9.560 -5.076 312 HB3 GLN 42 2HB GLN 42 11.204 -11.315 -5.025 313 HG2 GLN 42 1HG GLN 42 11.528 -11.151 -7.638 314 HG3 GLN 42 2HG GLN 42 12.241 -9.586 -7.251 315 HE21 GLN 42 1HE2 GLN 42 14.515 -9.729 -6.884 316 HE22 GLN 42 2HE2 GLN 42 15.264 -11.285 -6.570 317 H ARG 43 H ARG 43 7.057 -10.083 -6.042 318 HA ARG 43 HA ARG 43 6.447 -11.074 -3.472 319 HB2 ARG 43 1HB ARG 43 6.147 -8.075 -3.943 320 HB3 ARG 43 2HB ARG 43 5.036 -8.940 -2.891 321 HG2 ARG 43 1HG ARG 43 7.045 -9.832 -1.605 322 HG3 ARG 43 2HG ARG 43 8.005 -8.625 -2.494 323 HD2 ARG 43 1HD ARG 43 5.606 -8.055 -0.726 324 HD3 ARG 43 2HD ARG 43 7.300 -7.806 -0.276 325 HE ARG 43 HE ARG 43 7.460 -6.247 -2.243 326 HH11 ARG 43 1HH1 ARG 43 4.499 -6.566 -0.369 327 HH12 ARG 43 2HH1 ARG 43 3.791 -5.086 -0.875 328 HH21 ARG 43 1HH2 ARG 43 6.671 -4.272 -2.866 329 HH22 ARG 43 2HH2 ARG 43 5.093 -3.702 -2.444 330 H ASN 44 H ASN 44 3.792 -10.329 -3.395 331 HA ASN 44 HA ASN 44 2.802 -11.739 -5.785 332 HB2 ASN 44 1HB ASN 44 1.186 -10.826 -3.384 333 HB3 ASN 44 2HB ASN 44 0.827 -12.141 -4.509 334 HD21 ASN 44 1HD2 ASN 44 2.098 -14.167 -4.302 335 HD22 ASN 44 2HD2 ASN 44 3.192 -14.387 -2.978 336 H LEU 45 H LEU 45 3.041 -8.491 -4.692 337 HA LEU 45 HA LEU 45 0.422 -7.612 -5.333 338 HB2 LEU 45 1HB LEU 45 3.074 -6.146 -4.982 339 HB3 LEU 45 2HB LEU 45 1.604 -5.304 -5.412 340 HG LEU 45 HG LEU 45 1.970 -5.084 -3.073 341 HD11 LEU 45 1HD1 LEU 45 -0.392 -5.307 -3.872 342 HD12 LEU 45 2HD1 LEU 45 -0.148 -5.722 -2.172 343 HD13 LEU 45 3HD1 LEU 45 -0.365 -7.008 -3.369 344 HD21 LEU 45 3HD2 LEU 45 2.069 -6.818 -1.449 345 HD22 LEU 45 1HD2 LEU 45 3.279 -7.171 -2.703 346 HD23 LEU 45 2HD2 LEU 45 1.746 -8.067 -2.659 347 HA PRO 46 HA PRO 46 0.861 -7.032 -9.752 348 HB2 PRO 46 1HB PRO 46 -0.988 -5.035 -10.195 349 HB3 PRO 46 2HB PRO 46 -1.451 -6.743 -9.890 350 HG2 PRO 46 1HG PRO 46 -1.465 -4.381 -8.070 351 HG3 PRO 46 2HG PRO 46 -2.609 -5.718 -8.130 352 HD2 PRO 46 1HD PRO 46 -0.566 -5.526 -6.263 353 HD3 PRO 46 2HD PRO 46 -1.339 -7.052 -6.743 354 H ALA 47 H ALA 47 1.422 -5.227 -11.255 355 HA ALA 47 HA ALA 47 3.373 -3.443 -10.234 356 HB1 ALA 47 1HB ALA 47 3.334 -2.461 -12.465 357 HB2 ALA 47 2HB ALA 47 3.213 -4.222 -12.583 358 HB3 ALA 47 3HB ALA 47 1.760 -3.216 -12.809 359 HA PRO 48 HA PRO 48 0.755 -0.198 -8.609 360 HB2 PRO 48 1HB PRO 48 2.487 1.934 -8.593 361 HB3 PRO 48 2HB PRO 48 2.688 0.508 -7.535 362 HG2 PRO 48 1HG PRO 48 4.024 1.016 -10.201 363 HG3 PRO 48 2HG PRO 48 4.797 0.569 -8.646 364 HD2 PRO 48 1HD PRO 48 4.179 -1.274 -10.541 365 HD3 PRO 48 2HD PRO 48 3.976 -1.642 -8.797 366 H ASP 49 H ASP 49 0.690 2.513 -9.356 367 HA ASP 49 HA ASP 49 -0.053 2.513 -12.244 368 HB2 ASP 49 1HB ASP 49 -0.981 4.417 -10.047 369 HB3 ASP 49 2HB ASP 49 -1.277 4.592 -11.754 370 H ALA 50 H ALA 50 0.650 4.622 -13.248 371 HA ALA 50 HA ALA 50 3.460 4.967 -12.802 372 HB1 ALA 50 1HB ALA 50 3.330 6.334 -14.816 373 HB2 ALA 50 2HB ALA 50 2.384 4.857 -15.022 374 HB3 ALA 50 3HB ALA 50 1.557 6.401 -14.694 375 H GLY 51 H GLY 51 2.345 5.819 -10.496 376 HA2 GLY 51 2HA GLY 51 3.713 8.164 -9.871 377 HA3 GLY 51 1HA GLY 51 2.042 8.661 -10.140 378 H SER 52 H SER 52 2.762 5.382 -8.856 379 HA SER 52 HA SER 52 2.091 6.237 -6.134 380 HB2 SER 52 1HB SER 52 0.274 4.539 -6.042 381 HB3 SER 52 2HB SER 52 -0.074 5.826 -7.191 382 HG SER 52 HG SER 52 -0.540 4.060 -8.283 383 H HIS 53 H HIS 53 2.288 4.395 -4.558 384 HA HIS 53 HA HIS 53 4.031 2.226 -5.469 385 HB2 HIS 53 1HB HIS 53 5.681 2.710 -3.720 386 HB3 HIS 53 2HB HIS 53 5.672 3.938 -4.993 387 HD1 HIS 53 1HD HIS 53 5.048 6.454 -4.198 388 HD2 HIS 53 2HD HIS 53 4.822 3.433 -1.277 389 HE1 HIS 53 1HE HIS 53 4.673 7.624 -1.964 390 H TRP 54 H TRP 54 4.348 0.595 -3.852 391 HA TRP 54 HA TRP 54 1.885 0.090 -2.381 392 HB2 TRP 54 1HB TRP 54 4.425 -1.477 -2.951 393 HB3 TRP 54 2HB TRP 54 3.191 -2.093 -1.883 394 HD1 TRP 54 HD TRP 54 4.086 -2.005 -5.531 395 HE1 TRP 54 1HE TRP 54 2.104 -3.032 -6.933 396 HE3 TRP 54 3HE TRP 54 0.380 -2.072 -2.012 397 HZ2 TRP 54 2HZ TRP 54 -0.657 -3.062 -6.770 398 HZ3 TRP 54 3HZ TRP 54 -1.978 -2.596 -2.671 399 HH2 TRP 54 HH TRP 54 -2.498 -3.063 -5.072 400 H THR 55 H THR 55 1.614 0.339 -0.143 401 HA THR 55 HA THR 55 4.038 0.614 1.510 402 HB THR 55 HB THR 55 3.097 2.296 2.806 403 HG1 THR 55 1HG THR 55 1.073 2.314 3.002 404 HG21 THR 55 3HG2 THR 55 2.838 4.163 1.289 405 HG22 THR 55 1HG2 THR 55 2.616 3.064 -0.087 406 HG23 THR 55 2HG2 THR 55 4.163 3.108 0.799 407 H TYR 56 H TYR 56 3.530 -0.017 3.899 408 HA TYR 56 HA TYR 56 1.574 -2.237 3.991 409 HB2 TYR 56 1HB TYR 56 4.234 -2.361 4.454 410 HB3 TYR 56 2HB TYR 56 3.740 -1.895 6.046 411 HD1 TYR 56 2HD TYR 56 0.982 -3.565 5.869 412 HD2 TYR 56 1HD TYR 56 5.112 -4.427 5.041 413 HE1 TYR 56 2HE TYR 56 0.623 -6.000 6.467 414 HE2 TYR 56 1HE TYR 56 4.752 -6.810 5.629 415 HH TYR 56 HH TYR 56 3.102 -8.456 6.166 416 H MET 57 H MET 57 -0.291 -1.519 4.870 417 HA MET 57 HA MET 57 -0.429 0.661 6.853 418 HB2 MET 57 1HB MET 57 -2.593 -1.077 5.590 419 HB3 MET 57 2HB MET 57 -2.884 0.352 6.589 420 HG2 MET 57 1HG MET 57 -1.531 0.351 3.972 421 HG3 MET 57 2HG MET 57 -3.202 0.836 4.304 422 HE1 MET 57 3HE MET 57 -3.980 2.996 5.341 423 HE2 MET 57 1HE MET 57 -3.089 2.772 6.867 424 HE3 MET 57 2HE MET 57 -2.943 4.283 5.949 425 H GLY 58 H GLY 58 -2.742 -0.678 8.120 426 HA2 GLY 58 2HA GLY 58 -1.617 -1.987 10.393 427 HA3 GLY 58 1HA GLY 58 -3.318 -1.718 9.957 428 H GLY 59 H GLY 59 -0.492 -3.567 8.798 429 HA2 GLY 59 2HA GLY 59 -0.218 -5.852 8.560 430 HA3 GLY 59 1HA GLY 59 -1.843 -6.089 9.142 431 H ASN 60 H ASN 60 -1.810 -3.904 6.388 432 HA ASN 60 HA ASN 60 -2.052 -6.164 4.505 433 HB2 ASN 60 1HB ASN 60 -3.843 -3.759 4.394 434 HB3 ASN 60 2HB ASN 60 -4.056 -5.293 3.605 435 HD21 ASN 60 1HD2 ASN 60 -4.870 -3.415 6.351 436 HD22 ASN 60 2HD2 ASN 60 -5.515 -4.634 7.424 437 H TYR 61 H TYR 61 -1.815 -5.337 2.228 438 HA TYR 61 HA TYR 61 0.203 -3.161 2.170 439 HB2 TYR 61 1HB TYR 61 -0.539 -5.372 0.200 440 HB3 TYR 61 2HB TYR 61 0.589 -4.072 -0.158 441 HD1 TYR 61 1HD TYR 61 2.726 -3.890 0.942 442 HD2 TYR 61 2HD TYR 61 0.050 -7.088 1.860 443 HE1 TYR 61 1HE TYR 61 4.638 -5.160 1.947 444 HE2 TYR 61 2HE TYR 61 1.936 -8.354 3.002 445 HH TYR 61 HH TYR 61 4.357 -8.226 3.613 446 H VAL 62 H VAL 62 -0.290 -1.239 0.988 447 HA VAL 62 HA VAL 62 -2.748 -1.308 -0.677 448 HB VAL 62 HB VAL 62 -3.666 0.581 0.323 449 HG11 VAL 62 1HG1 VAL 62 -2.846 -1.123 2.689 450 HG12 VAL 62 2HG1 VAL 62 -4.294 -0.113 2.509 451 HG13 VAL 62 3HG1 VAL 62 -4.088 -1.551 1.504 452 HG21 VAL 62 3HG2 VAL 62 -1.165 0.801 2.045 453 HG22 VAL 62 1HG2 VAL 62 -1.691 1.936 0.821 454 HG23 VAL 62 2HG2 VAL 62 -2.654 1.760 2.294 455 H LEU 63 H LEU 63 -2.865 0.470 -2.145 456 HA LEU 63 HA LEU 63 -0.126 1.319 -3.079 457 HB2 LEU 63 1HB LEU 63 -1.247 -0.262 -4.568 458 HB3 LEU 63 2HB LEU 63 -2.667 0.750 -4.632 459 HG LEU 63 HG LEU 63 -1.348 2.515 -5.799 460 HD11 LEU 63 1HD1 LEU 63 0.933 1.875 -6.680 461 HD12 LEU 63 2HD1 LEU 63 0.944 0.520 -5.524 462 HD13 LEU 63 3HD1 LEU 63 0.854 2.207 -4.973 463 HD21 LEU 63 3HD2 LEU 63 -2.542 0.779 -7.085 464 HD22 LEU 63 1HD2 LEU 63 -1.073 -0.238 -7.071 465 HD23 LEU 63 2HD2 LEU 63 -1.087 1.330 -7.921 466 H ILE 64 H ILE 64 0.249 3.469 -2.709 467 HA ILE 64 HA ILE 64 -2.076 5.341 -2.763 468 HB ILE 64 HB ILE 64 -0.848 6.643 -1.095 469 HG12 ILE 64 1HG1 ILE 64 0.805 4.550 0.052 470 HG13 ILE 64 2HG1 ILE 64 1.373 4.878 -1.579 471 HG21 ILE 64 1HG2 ILE 64 -1.376 5.239 0.820 472 HG22 ILE 64 2HG2 ILE 64 -2.648 5.179 -0.415 473 HG23 ILE 64 3HG2 ILE 64 -1.476 3.829 -0.222 474 HD11 ILE 64 3HD1 ILE 64 1.603 7.236 -1.098 475 HD12 ILE 64 1HD1 ILE 64 0.894 7.014 0.526 476 HD13 ILE 64 2HD1 ILE 64 2.465 6.301 0.142 477 H THR 65 H THR 65 -1.730 7.450 -3.746 478 HA THR 65 HA THR 65 0.421 7.415 -5.725 479 HB THR 65 HB THR 65 -0.478 9.835 -6.085 480 HG1 THR 65 1HG THR 65 -2.561 10.091 -5.582 481 HG21 THR 65 3HG2 THR 65 -2.214 8.937 -7.593 482 HG22 THR 65 1HG2 THR 65 -2.116 7.371 -6.765 483 HG23 THR 65 2HG2 THR 65 -0.723 8.014 -7.688 484 H ASP 66 H ASP 66 2.282 8.503 -5.651 485 HA ASP 66 HA ASP 66 3.264 9.359 -3.032 486 HB2 ASP 66 1HB ASP 66 4.368 8.225 -5.122 487 HB3 ASP 66 2HB ASP 66 4.739 9.850 -5.630 488 H THR 67 H THR 67 1.372 10.785 -4.864 489 HA THR 67 HA THR 67 2.313 13.607 -4.580 490 HB THR 67 HB THR 67 2.814 12.509 -6.748 491 HG1 THR 67 1HG THR 67 1.130 14.782 -6.946 492 HG21 THR 67 3HG2 THR 67 -0.182 12.426 -7.125 493 HG22 THR 67 1HG2 THR 67 0.965 11.078 -7.185 494 HG23 THR 67 2HG2 THR 67 0.996 12.303 -8.448 495 H GLU 68 H GLU 68 0.094 11.702 -3.320 496 HA GLU 68 HA GLU 68 -1.765 13.749 -2.664 497 HB2 GLU 68 1HB GLU 68 -2.742 13.490 -4.829 498 HB3 GLU 68 2HB GLU 68 -2.613 11.749 -4.778 499 HG2 GLU 68 1HG GLU 68 -4.447 11.499 -3.368 500 HG3 GLU 68 2HG GLU 68 -4.430 13.198 -2.884 501 H GLY 69 H GLY 69 -1.338 10.209 -3.108 502 HA2 GLY 69 2HA GLY 69 -1.094 8.673 -1.373 503 HA3 GLY 69 1HA GLY 69 -1.948 9.718 -0.263 504 H LYS 70 H LYS 70 -3.321 9.262 -3.445 505 HA LYS 70 HA LYS 70 -5.783 8.491 -2.233 506 HB2 LYS 70 1HB LYS 70 -4.992 9.615 -4.655 507 HB3 LYS 70 2HB LYS 70 -5.548 8.034 -5.172 508 HG2 LYS 70 1HG LYS 70 -7.139 9.729 -3.206 509 HG3 LYS 70 2HG LYS 70 -7.236 10.085 -4.906 510 HD2 LYS 70 1HD LYS 70 -7.823 7.308 -3.803 511 HD3 LYS 70 2HD LYS 70 -9.024 8.568 -3.929 512 HE2 LYS 70 1HE LYS 70 -7.418 7.487 -6.272 513 HE3 LYS 70 2HE LYS 70 -9.079 7.014 -5.868 514 HZ1 LYS 70 3HZ LYS 70 -9.171 8.663 -7.505 515 HZ2 LYS 70 1HZ LYS 70 -8.139 9.668 -6.726 516 HZ3 LYS 70 2HZ LYS 70 -9.649 9.405 -6.111 517 H ILE 71 H ILE 71 -6.735 6.588 -1.865 518 HA ILE 71 HA ILE 71 -5.074 4.285 -1.888 519 HB ILE 71 HB ILE 71 -7.951 4.758 -1.006 520 HG12 ILE 71 1HG1 ILE 71 -5.278 4.536 0.480 521 HG13 ILE 71 2HG1 ILE 71 -6.169 6.019 0.216 522 HG21 ILE 71 1HG2 ILE 71 -7.609 2.329 -1.499 523 HG22 ILE 71 2HG2 ILE 71 -6.232 2.307 -0.382 524 HG23 ILE 71 3HG2 ILE 71 -7.869 2.644 0.210 525 HD11 ILE 71 3HD1 ILE 71 -6.942 3.728 2.019 526 HD12 ILE 71 1HD1 ILE 71 -6.521 5.395 2.449 527 HD13 ILE 71 2HD1 ILE 71 -8.040 5.072 1.587 528 H LEU 72 H LEU 72 -4.615 3.714 -3.937 529 HA LEU 72 HA LEU 72 -6.710 3.479 -5.952 530 HB2 LEU 72 1HB LEU 72 -3.850 2.463 -6.070 531 HB3 LEU 72 2HB LEU 72 -4.952 2.700 -7.423 532 HG LEU 72 HG LEU 72 -3.582 4.808 -5.719 533 HD11 LEU 72 1HD1 LEU 72 -3.570 4.324 -8.711 534 HD12 LEU 72 2HD1 LEU 72 -2.333 3.760 -7.578 535 HD13 LEU 72 3HD1 LEU 72 -2.580 5.499 -7.810 536 HD21 LEU 72 3HD2 LEU 72 -5.843 5.202 -7.730 537 HD22 LEU 72 1HD2 LEU 72 -4.759 6.520 -7.145 538 HD23 LEU 72 2HD2 LEU 72 -5.822 5.676 -6.027 539 H LYS 73 H LYS 73 -4.853 1.160 -3.896 540 HA LYS 73 HA LYS 73 -6.802 -0.957 -4.524 541 HB2 LYS 73 1HB LYS 73 -3.807 -1.252 -4.951 542 HB3 LYS 73 2HB LYS 73 -4.989 -2.562 -5.044 543 HG2 LYS 73 1HG LYS 73 -5.993 -1.559 -7.058 544 HG3 LYS 73 2HG LYS 73 -4.887 -0.176 -6.941 545 HD2 LYS 73 1HD LYS 73 -2.938 -1.761 -7.115 546 HD3 LYS 73 2HD LYS 73 -4.097 -3.080 -7.312 547 HE2 LYS 73 1HE LYS 73 -3.200 -2.554 -9.411 548 HE3 LYS 73 2HE LYS 73 -4.910 -2.134 -9.395 549 HZ1 LYS 73 3HZ LYS 73 -2.809 -0.035 -9.029 550 HZ2 LYS 73 1HZ LYS 73 -4.410 0.155 -9.316 551 HZ3 LYS 73 2HZ LYS 73 -3.429 -0.438 -10.462 552 H VAL 74 H VAL 74 -6.647 -2.688 -2.884 553 HA VAL 74 HA VAL 74 -4.777 -2.328 -0.638 554 HB VAL 74 HB VAL 74 -7.804 -2.657 -0.441 555 HG11 VAL 74 1HG1 VAL 74 -6.129 -2.214 2.044 556 HG12 VAL 74 2HG1 VAL 74 -7.706 -3.003 1.822 557 HG13 VAL 74 3HG1 VAL 74 -6.206 -3.837 1.382 558 HG21 VAL 74 3HG2 VAL 74 -7.782 -0.507 0.778 559 HG22 VAL 74 1HG2 VAL 74 -6.032 -0.349 0.466 560 HG23 VAL 74 2HG2 VAL 74 -7.183 -0.306 -0.867 561 H TYR 75 H TYR 75 -3.838 -4.318 -0.315 562 HA TYR 75 HA TYR 75 -5.254 -6.764 -1.189 563 HB2 TYR 75 1HB TYR 75 -2.447 -5.862 -1.808 564 HB3 TYR 75 2HB TYR 75 -2.804 -7.566 -1.648 565 HD1 TYR 75 1HD TYR 75 -4.688 -8.583 -3.086 566 HD2 TYR 75 2HD TYR 75 -2.911 -4.781 -3.853 567 HE1 TYR 75 1HE TYR 75 -5.480 -8.728 -5.418 568 HE2 TYR 75 2HE TYR 75 -3.705 -4.881 -6.252 569 HH TYR 75 HH TYR 75 -6.038 -7.141 -7.311 570 H ASP 76 H ASP 76 -5.563 -7.982 0.492 571 HA ASP 76 HA ASP 76 -4.914 -7.334 3.118 572 HB2 ASP 76 1HB ASP 76 -6.798 -8.723 2.320 573 HB3 ASP 76 2HB ASP 76 -5.654 -9.995 1.872 574 H GLY 77 H GLY 77 -3.378 -8.211 4.701 575 HA2 GLY 77 2HA GLY 77 -0.724 -8.646 3.667 576 HA3 GLY 77 1HA GLY 77 -1.187 -8.773 5.283 577 H GLU 78 H GLU 78 -3.322 -10.972 4.048 578 HA GLU 78 HA GLU 78 -1.649 -13.283 4.524 579 HB2 GLU 78 1HB GLU 78 -4.344 -12.999 3.185 580 HB3 GLU 78 2HB GLU 78 -3.644 -14.528 3.691 581 HG2 GLU 78 1HG GLU 78 -3.956 -12.447 5.850 582 HG3 GLU 78 2HG GLU 78 -5.434 -13.084 5.139 583 H ILE 79 H ILE 79 -2.279 -11.232 1.632 584 HA ILE 79 HA ILE 79 -1.905 -13.267 -0.247 585 HB ILE 79 HB ILE 79 -2.822 -11.004 -0.781 586 HG12 ILE 79 1HG1 ILE 79 -0.571 -12.097 -2.481 587 HG13 ILE 79 2HG1 ILE 79 -2.183 -12.760 -2.387 588 HG21 ILE 79 1HG2 ILE 79 -1.309 -9.320 0.009 589 HG22 ILE 79 2HG2 ILE 79 0.082 -10.082 -0.801 590 HG23 ILE 79 3HG2 ILE 79 -1.201 -9.269 -1.707 591 HD11 ILE 79 3HD1 ILE 79 -1.281 -10.196 -3.734 592 HD12 ILE 79 1HD1 ILE 79 -2.100 -11.615 -4.382 593 HD13 ILE 79 2HD1 ILE 79 -2.990 -10.496 -3.346 594 H PHE 80 H PHE 80 0.486 -11.569 1.662 595 HA PHE 80 HA PHE 80 2.795 -11.891 0.212 596 HB2 PHE 80 1HB PHE 80 2.484 -10.672 2.393 597 HB3 PHE 80 2HB PHE 80 2.534 -12.216 3.206 598 HD1 PHE 80 1HD PHE 80 4.641 -13.635 3.135 599 HD2 PHE 80 2HD PHE 80 4.516 -9.670 1.443 600 HE1 PHE 80 1HE PHE 80 7.113 -13.603 3.004 601 HE2 PHE 80 2HE PHE 80 6.996 -9.627 1.375 602 HZ PHE 80 HZ PHE 80 8.293 -11.592 2.161 603 H TYR 81 H TYR 81 1.057 -14.365 2.034 604 HA TYR 81 HA TYR 81 3.273 -16.260 1.813 605 HB2 TYR 81 1HB TYR 81 0.523 -16.748 2.968 606 HB3 TYR 81 2HB TYR 81 2.025 -17.599 3.316 607 HD1 TYR 81 2HD TYR 81 3.964 -16.184 4.428 608 HD2 TYR 81 1HD TYR 81 -0.157 -14.940 4.302 609 HE1 TYR 81 2HE TYR 81 4.426 -14.489 6.172 610 HE2 TYR 81 1HE TYR 81 0.309 -13.204 6.012 611 HH TYR 81 HH TYR 81 3.176 -13.064 7.895 612 H HIS 82 H HIS 82 1.628 -15.276 -0.654 613 HA HIS 82 HA HIS 82 0.654 -17.919 -1.596 614 HB2 HIS 82 1HB HIS 82 -0.916 -15.895 -1.186 615 HB3 HIS 82 2HB HIS 82 -0.242 -15.259 -2.683 616 HD1 HIS 82 1HD HIS 82 -2.676 -17.779 -1.344 617 HD2 HIS 82 2HD HIS 82 -0.739 -16.840 -4.964 618 HE1 HIS 82 1HE HIS 82 -4.038 -18.893 -3.209 619 H ARG 83 H ARG 83 3.383 -17.592 -1.816 620 HA ARG 83 HA ARG 83 5.078 -17.768 -3.224 621 HB2 ARG 83 1HB ARG 83 3.156 -19.016 -4.644 622 HB3 ARG 83 2HB ARG 83 3.458 -17.698 -5.770 623 HG2 ARG 83 1HG ARG 83 5.614 -19.471 -4.554 624 HG3 ARG 83 2HG ARG 83 4.789 -19.866 -6.061 625 HD2 ARG 83 1HD ARG 83 5.687 -17.914 -7.183 626 HD3 ARG 83 2HD ARG 83 6.421 -17.329 -5.676 627 HE ARG 83 HE ARG 83 7.641 -19.568 -5.659 628 HH11 ARG 83 1HH1 ARG 83 7.075 -17.806 -8.755 629 HH12 ARG 83 2HH1 ARG 83 8.473 -18.523 -9.474 630 HH21 ARG 83 1HH2 ARG 83 9.337 -20.491 -6.703 631 HH22 ARG 83 2HH2 ARG 83 9.681 -20.146 -8.382 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.977 -21.291 -6.708 2 HA2 GLY 1 2HA GLY 1 -11.496 -21.765 -9.598 3 HA3 GLY 1 1HA GLY 1 -12.946 -21.011 -8.904 4 H ALA 2 H ALA 2 -10.144 -20.277 -10.498 5 HA ALA 2 HA ALA 2 -8.684 -18.594 -10.672 6 HB1 ALA 2 1HB ALA 2 -10.766 -17.698 -11.663 7 HB2 ALA 2 2HB ALA 2 -11.105 -16.884 -10.110 8 HB3 ALA 2 3HB ALA 2 -9.675 -16.442 -11.053 9 H ALA 3 H ALA 3 -8.508 -19.630 -8.031 10 HA ALA 3 HA ALA 3 -8.370 -17.482 -6.094 11 HB1 ALA 3 1HB ALA 3 -7.347 -19.247 -4.668 12 HB2 ALA 3 2HB ALA 3 -8.870 -19.762 -5.396 13 HB3 ALA 3 3HB ALA 3 -7.306 -20.335 -6.049 14 H GLY 4 H GLY 4 -7.102 -16.156 -7.706 15 HA2 GLY 4 2HA GLY 4 -4.164 -16.604 -7.761 16 HA3 GLY 4 1HA GLY 4 -5.114 -15.365 -8.624 17 H ILE 5 H ILE 5 -5.355 -13.433 -7.821 18 HA ILE 5 HA ILE 5 -4.371 -12.954 -5.040 19 HB ILE 5 HB ILE 5 -3.534 -10.847 -5.635 20 HG12 ILE 5 1HG1 ILE 5 -4.233 -11.253 -8.549 21 HG13 ILE 5 2HG1 ILE 5 -5.173 -10.254 -7.445 22 HG21 ILE 5 1HG2 ILE 5 -2.490 -12.820 -7.711 23 HG22 ILE 5 2HG2 ILE 5 -1.603 -11.496 -6.936 24 HG23 ILE 5 3HG2 ILE 5 -2.108 -12.897 -5.982 25 HD11 ILE 5 3HD1 ILE 5 -3.120 -8.910 -6.921 26 HD12 ILE 5 1HD1 ILE 5 -2.287 -9.771 -8.237 27 HD13 ILE 5 2HD1 ILE 5 -3.719 -8.794 -8.577 28 H ASP 6 H ASP 6 -6.957 -12.505 -7.278 29 HA ASP 6 HA ASP 6 -8.086 -10.110 -6.269 30 HB2 ASP 6 1HB ASP 6 -8.327 -11.206 -8.491 31 HB3 ASP 6 2HB ASP 6 -9.331 -12.410 -7.792 32 H GLN 7 H GLN 7 -8.237 -13.385 -5.104 33 HA GLN 7 HA GLN 7 -10.440 -13.224 -3.305 34 HB2 GLN 7 1HB GLN 7 -9.524 -15.242 -2.382 35 HB3 GLN 7 2HB GLN 7 -9.291 -15.281 -4.124 36 HG2 GLN 7 1HG GLN 7 -6.889 -14.413 -3.665 37 HG3 GLN 7 2HG GLN 7 -7.194 -14.827 -1.966 38 HE21 GLN 7 1HE2 GLN 7 -5.315 -16.039 -4.173 39 HE22 GLN 7 2HE2 GLN 7 -5.780 -17.691 -4.255 40 H TYR 8 H TYR 8 -7.266 -11.748 -3.115 41 HA TYR 8 HA TYR 8 -7.632 -11.173 -0.216 42 HB2 TYR 8 1HB TYR 8 -5.211 -10.543 -1.919 43 HB3 TYR 8 2HB TYR 8 -5.338 -10.529 -0.174 44 HD1 TYR 8 1HD TYR 8 -5.749 -12.796 1.023 45 HD2 TYR 8 2HD TYR 8 -4.431 -12.415 -3.038 46 HE1 TYR 8 1HE TYR 8 -4.874 -15.124 1.100 47 HE2 TYR 8 2HE TYR 8 -3.634 -14.765 -3.030 48 HH TYR 8 HH TYR 8 -3.522 -16.787 -0.106 49 H ALA 9 H ALA 9 -8.776 -9.854 -3.043 50 HA ALA 9 HA ALA 9 -7.823 -7.115 -2.758 51 HB1 ALA 9 1HB ALA 9 -8.529 -8.039 -4.963 52 HB2 ALA 9 2HB ALA 9 -10.192 -8.216 -4.347 53 HB3 ALA 9 3HB ALA 9 -9.456 -6.611 -4.493 54 H LEU 10 H LEU 10 -8.287 -6.210 -0.849 55 HA LEU 10 HA LEU 10 -10.866 -6.616 0.523 56 HB2 LEU 10 1HB LEU 10 -8.561 -4.706 1.082 57 HB3 LEU 10 2HB LEU 10 -9.977 -4.902 2.098 58 HG LEU 10 HG LEU 10 -7.891 -7.053 1.564 59 HD11 LEU 10 1HD1 LEU 10 -7.015 -5.216 2.940 60 HD12 LEU 10 2HD1 LEU 10 -7.250 -6.665 3.930 61 HD13 LEU 10 3HD1 LEU 10 -8.417 -5.340 4.026 62 HD21 LEU 10 3HD2 LEU 10 -10.296 -7.051 3.445 63 HD22 LEU 10 1HD2 LEU 10 -9.015 -8.268 3.439 64 HD23 LEU 10 2HD2 LEU 10 -10.063 -8.102 2.032 65 H LYS 11 H LYS 11 -12.489 -4.988 0.560 66 HA LYS 11 HA LYS 11 -12.335 -3.064 -1.709 67 HB2 LYS 11 1HB LYS 11 -14.611 -4.053 0.065 68 HB3 LYS 11 2HB LYS 11 -14.800 -2.722 -1.083 69 HG2 LYS 11 1HG LYS 11 -14.036 -4.196 -2.933 70 HG3 LYS 11 2HG LYS 11 -13.909 -5.543 -1.796 71 HD2 LYS 11 1HD LYS 11 -16.379 -5.335 -1.356 72 HD3 LYS 11 2HD LYS 11 -16.449 -4.102 -2.642 73 HE2 LYS 11 1HE LYS 11 -15.456 -5.746 -4.252 74 HE3 LYS 11 2HE LYS 11 -15.388 -6.940 -2.957 75 HZ1 LYS 11 3HZ LYS 11 -17.883 -6.685 -2.832 76 HZ2 LYS 11 1HZ LYS 11 -17.287 -7.437 -4.174 77 HZ3 LYS 11 2HZ LYS 11 -17.820 -5.905 -4.259 78 H GLU 12 H GLU 12 -11.732 -3.163 1.656 79 HA GLU 12 HA GLU 12 -11.395 -0.400 2.160 80 HB2 GLU 12 1HB GLU 12 -13.358 -0.216 3.643 81 HB3 GLU 12 2HB GLU 12 -13.861 -0.388 1.986 82 HG2 GLU 12 1HG GLU 12 -14.140 -2.905 2.549 83 HG3 GLU 12 2HG GLU 12 -13.922 -2.455 4.231 84 H PHE 13 H PHE 13 -11.135 -0.180 4.650 85 HA PHE 13 HA PHE 13 -10.834 -2.418 6.298 86 HB2 PHE 13 1HB PHE 13 -8.469 -2.688 6.483 87 HB3 PHE 13 2HB PHE 13 -8.851 -2.906 4.805 88 HD1 PHE 13 2HD PHE 13 -8.485 -0.862 3.199 89 HD2 PHE 13 1HD PHE 13 -6.819 -1.157 7.155 90 HE1 PHE 13 2HE PHE 13 -6.836 0.899 2.639 91 HE2 PHE 13 1HE PHE 13 -5.183 0.605 6.624 92 HZ PHE 13 HZ PHE 13 -5.202 1.671 4.369 93 H THR 14 H THR 14 -9.089 -1.552 8.198 94 HA THR 14 HA THR 14 -9.359 1.346 8.570 95 HB THR 14 HB THR 14 -9.680 -0.444 10.972 96 HG1 THR 14 1HG THR 14 -11.804 -0.537 10.840 97 HG21 THR 14 3HG2 THR 14 -10.879 1.451 11.915 98 HG22 THR 14 1HG2 THR 14 -10.841 2.303 10.365 99 HG23 THR 14 2HG2 THR 14 -9.334 2.005 11.257 100 H ALA 15 H ALA 15 -7.425 2.189 9.512 101 HA ALA 15 HA ALA 15 -5.764 0.468 11.151 102 HB1 ALA 15 1HB ALA 15 -3.642 1.058 10.053 103 HB2 ALA 15 2HB ALA 15 -4.654 0.145 8.921 104 HB3 ALA 15 3HB ALA 15 -4.504 1.911 8.768 105 H ASP 16 H ASP 16 -4.460 1.915 12.607 106 HA ASP 16 HA ASP 16 -4.236 3.771 13.882 107 HB2 ASP 16 1HB ASP 16 -3.512 4.371 11.228 108 HB3 ASP 16 2HB ASP 16 -4.404 5.784 11.765 109 H PHE 17 H PHE 17 -6.865 2.882 13.514 110 HA PHE 17 HA PHE 17 -9.073 3.337 13.808 111 HB2 PHE 17 1HB PHE 17 -8.435 6.018 14.966 112 HB3 PHE 17 2HB PHE 17 -9.751 4.933 15.397 113 HD1 PHE 17 2HD PHE 17 -9.108 2.774 16.688 114 HD2 PHE 17 1HD PHE 17 -6.347 6.024 16.089 115 HE1 PHE 17 2HE PHE 17 -7.635 1.829 18.439 116 HE2 PHE 17 1HE PHE 17 -4.961 5.125 17.949 117 HZ PHE 17 HZ PHE 17 -5.534 3.014 19.056 118 H THR 18 H THR 18 -7.606 4.422 11.407 119 HA THR 18 HA THR 18 -9.457 6.532 10.460 120 HB THR 18 HB THR 18 -6.837 5.575 9.238 121 HG1 THR 18 1HG THR 18 -6.716 6.581 11.398 122 HG21 THR 18 3HG2 THR 18 -8.571 8.033 8.795 123 HG22 THR 18 1HG2 THR 18 -8.286 6.712 7.662 124 HG23 THR 18 2HG2 THR 18 -6.955 7.801 8.092 125 H GLN 19 H GLN 19 -11.098 5.677 9.385 126 HA GLN 19 HA GLN 19 -11.089 2.996 8.221 127 HB2 GLN 19 1HB GLN 19 -13.061 4.307 9.290 128 HB3 GLN 19 2HB GLN 19 -13.125 5.237 7.798 129 HG2 GLN 19 1HG GLN 19 -14.152 3.550 6.703 130 HG3 GLN 19 2HG GLN 19 -12.960 2.362 7.278 131 HE21 GLN 19 1HE2 GLN 19 -13.264 1.268 9.317 132 HE22 GLN 19 2HE2 GLN 19 -14.827 1.335 10.105 133 H PHE 20 H PHE 20 -11.238 2.513 6.004 134 HA PHE 20 HA PHE 20 -10.578 4.621 4.004 135 HB2 PHE 20 1HB PHE 20 -8.985 2.067 4.538 136 HB3 PHE 20 2HB PHE 20 -8.708 3.160 3.214 137 HD1 PHE 20 1HD PHE 20 -8.275 5.747 4.033 138 HD2 PHE 20 2HD PHE 20 -7.641 2.260 6.451 139 HE1 PHE 20 1HE PHE 20 -6.524 6.942 5.265 140 HE2 PHE 20 2HE PHE 20 -5.879 3.473 7.717 141 HZ PHE 20 HZ PHE 20 -5.264 5.801 7.106 142 H HIS 21 H HIS 21 -10.942 3.978 1.813 143 HA HIS 21 HA HIS 21 -12.177 1.369 1.277 144 HB2 HIS 21 1HB HIS 21 -13.525 3.835 0.204 145 HB3 HIS 21 2HB HIS 21 -14.136 2.216 0.444 146 HD1 HIS 21 1HD HIS 21 -13.747 5.534 2.306 147 HD2 HIS 21 2HD HIS 21 -15.166 1.590 2.841 148 HE1 HIS 21 1HE HIS 21 -14.809 5.437 4.647 149 H ILE 22 H ILE 22 -12.248 1.031 -1.148 150 HA ILE 22 HA ILE 22 -10.092 2.235 -2.650 151 HB ILE 22 HB ILE 22 -12.700 1.087 -3.764 152 HG12 ILE 22 1HG1 ILE 22 -11.895 -0.720 -2.532 153 HG13 ILE 22 2HG1 ILE 22 -11.496 -1.026 -4.216 154 HG21 ILE 22 1HG2 ILE 22 -9.960 1.457 -5.053 155 HG22 ILE 22 2HG2 ILE 22 -11.350 0.653 -5.807 156 HG23 ILE 22 3HG2 ILE 22 -11.437 2.365 -5.429 157 HD11 ILE 22 3HD1 ILE 22 -9.608 -0.078 -2.039 158 HD12 ILE 22 1HD1 ILE 22 -9.651 -1.696 -2.767 159 HD13 ILE 22 2HD1 ILE 22 -9.134 -0.304 -3.744 160 H GLY 23 H GLY 23 -9.925 4.236 -3.336 161 HA2 GLY 23 2HA GLY 23 -10.920 5.972 -4.730 162 HA3 GLY 23 1HA GLY 23 -12.422 5.782 -3.877 163 H ASP 24 H ASP 24 -11.035 5.649 -1.145 164 HA ASP 24 HA ASP 24 -11.119 8.476 -0.598 165 HB2 ASP 24 1HB ASP 24 -10.457 6.045 1.085 166 HB3 ASP 24 2HB ASP 24 -10.419 7.680 1.735 167 H THR 25 H THR 25 -9.037 9.078 1.158 168 HA THR 25 HA THR 25 -6.519 8.704 -0.336 169 HB THR 25 HB THR 25 -7.230 11.246 1.096 170 HG1 THR 25 1HG THR 25 -8.976 10.961 -0.243 171 HG21 THR 25 3HG2 THR 25 -5.674 10.773 -1.469 172 HG22 THR 25 1HG2 THR 25 -4.957 10.980 0.149 173 HG23 THR 25 2HG2 THR 25 -5.844 12.300 -0.616 174 H VAL 26 H VAL 26 -4.574 9.056 1.156 175 HA VAL 26 HA VAL 26 -5.169 7.935 3.857 176 HB VAL 26 HB VAL 26 -3.013 6.925 3.832 177 HG11 VAL 26 1HG1 VAL 26 -3.328 5.256 2.191 178 HG12 VAL 26 2HG1 VAL 26 -4.939 5.803 2.704 179 HG13 VAL 26 3HG1 VAL 26 -4.250 6.361 1.154 180 HG21 VAL 26 3HG2 VAL 26 -1.732 8.644 2.620 181 HG22 VAL 26 1HG2 VAL 26 -1.419 7.009 2.031 182 HG23 VAL 26 2HG2 VAL 26 -2.463 8.094 1.106 183 HA PRO 27 HA PRO 27 -3.109 11.287 5.942 184 HB2 PRO 27 1HB PRO 27 -1.782 10.046 7.993 185 HB3 PRO 27 2HB PRO 27 -3.505 10.322 7.955 186 HG2 PRO 27 1HG PRO 27 -2.034 7.888 7.166 187 HG3 PRO 27 2HG PRO 27 -3.481 7.957 8.226 188 HD2 PRO 27 1HD PRO 27 -3.734 7.282 5.650 189 HD3 PRO 27 2HD PRO 27 -4.900 8.369 6.387 190 H ALA 28 H ALA 28 -1.004 12.163 6.555 191 HA ALA 28 HA ALA 28 1.008 11.662 4.645 192 HB1 ALA 28 1HB ALA 28 0.608 13.880 5.611 193 HB2 ALA 28 2HB ALA 28 1.048 13.280 7.234 194 HB3 ALA 28 3HB ALA 28 2.264 13.361 5.950 195 H MET 29 H MET 29 0.526 10.255 7.982 196 HA MET 29 HA MET 29 3.107 9.296 8.326 197 HB2 MET 29 1HB MET 29 1.647 7.497 9.481 198 HB3 MET 29 2HB MET 29 1.844 9.025 10.257 199 HG2 MET 29 1HG MET 29 -0.363 9.628 9.557 200 HG3 MET 29 2HG MET 29 -0.462 8.276 8.404 201 HE1 MET 29 3HE MET 29 0.660 8.281 12.262 202 HE2 MET 29 1HE MET 29 -0.723 9.401 12.197 203 HE3 MET 29 2HE MET 29 -0.877 7.829 13.012 204 H TYR 30 H TYR 30 0.541 8.389 5.995 205 HA TYR 30 HA TYR 30 2.265 6.005 5.367 206 HB2 TYR 30 1HB TYR 30 -0.606 6.525 4.666 207 HB3 TYR 30 2HB TYR 30 0.307 5.070 4.322 208 HD1 TYR 30 2HD TYR 30 1.796 4.548 6.858 209 HD2 TYR 30 1HD TYR 30 -2.234 5.995 6.299 210 HE1 TYR 30 2HE TYR 30 1.189 3.696 9.072 211 HE2 TYR 30 1HE TYR 30 -2.838 5.140 8.543 212 HH TYR 30 HH TYR 30 -1.228 4.401 10.919 213 H LEU 31 H LEU 31 2.405 9.048 4.379 214 HA LEU 31 HA LEU 31 2.806 8.376 1.513 215 HB2 LEU 31 1HB LEU 31 2.768 10.922 3.176 216 HB3 LEU 31 2HB LEU 31 3.647 10.901 1.664 217 HG LEU 31 HG LEU 31 1.384 11.802 1.458 218 HD11 LEU 31 1HD1 LEU 31 0.807 10.663 -0.608 219 HD12 LEU 31 2HD1 LEU 31 1.716 9.234 -0.099 220 HD13 LEU 31 3HD1 LEU 31 2.575 10.762 -0.483 221 HD21 LEU 31 3HD2 LEU 31 0.383 9.011 1.951 222 HD22 LEU 31 1HD2 LEU 31 -0.575 10.392 1.392 223 HD23 LEU 31 2HD2 LEU 31 0.143 10.446 2.984 224 H THR 32 H THR 32 4.504 8.687 4.475 225 HA THR 32 HA THR 32 7.046 9.417 3.399 226 HB THR 32 HB THR 32 6.701 9.988 5.624 227 HG1 THR 32 1HG THR 32 8.276 8.684 6.825 228 HG21 THR 32 3HG2 THR 32 6.310 8.294 7.435 229 HG22 THR 32 1HG2 THR 32 6.038 7.102 6.150 230 HG23 THR 32 2HG2 THR 32 4.968 8.519 6.326 231 HA PRO 33 HA PRO 33 8.580 5.578 1.838 232 HB2 PRO 33 1HB PRO 33 11.307 5.870 2.092 233 HB3 PRO 33 2HB PRO 33 10.293 6.770 0.917 234 HG2 PRO 33 1HG PRO 33 11.205 7.705 3.658 235 HG3 PRO 33 2HG PRO 33 11.339 8.565 2.089 236 HD2 PRO 33 1HD PRO 33 9.289 9.044 3.790 237 HD3 PRO 33 2HD PRO 33 9.009 8.990 2.035 238 H GLU 34 H GLU 34 8.683 6.295 5.097 239 HA GLU 34 HA GLU 34 10.101 4.161 6.324 240 HB2 GLU 34 1HB GLU 34 7.722 5.855 7.067 241 HB3 GLU 34 2HB GLU 34 8.316 4.610 8.150 242 HG2 GLU 34 1HG GLU 34 10.523 5.657 8.273 243 HG3 GLU 34 2HG GLU 34 10.124 6.792 6.988 244 H TYR 35 H TYR 35 7.101 4.102 4.562 245 HA TYR 35 HA TYR 35 6.666 1.245 5.369 246 HB2 TYR 35 1HB TYR 35 4.640 3.297 4.369 247 HB3 TYR 35 2HB TYR 35 4.302 1.658 4.902 248 HD1 TYR 35 1HD TYR 35 5.351 5.042 5.997 249 HD2 TYR 35 2HD TYR 35 4.155 1.106 7.268 250 HE1 TYR 35 1HE TYR 35 5.211 5.865 8.313 251 HE2 TYR 35 2HE TYR 35 3.937 1.936 9.596 252 HH TYR 35 HH TYR 35 4.021 3.831 10.993 253 H ASN 36 H ASN 36 7.866 3.073 2.789 254 HA ASN 36 HA ASN 36 6.298 2.159 0.591 255 HB2 ASN 36 1HB ASN 36 7.469 4.192 0.427 256 HB3 ASN 36 2HB ASN 36 8.987 3.463 0.975 257 HD21 ASN 36 1HD2 ASN 36 10.075 4.343 -0.781 258 HD22 ASN 36 2HD2 ASN 36 9.830 3.715 -2.399 259 H ILE 37 H ILE 37 6.310 0.321 -0.408 260 HA ILE 37 HA ILE 37 8.480 -1.640 0.052 261 HB ILE 37 HB ILE 37 5.670 -2.215 -0.951 262 HG12 ILE 37 1HG1 ILE 37 6.649 -2.382 1.944 263 HG13 ILE 37 2HG1 ILE 37 5.457 -1.254 1.292 264 HG21 ILE 37 1HG2 ILE 37 7.368 -3.861 -1.526 265 HG22 ILE 37 2HG2 ILE 37 7.936 -3.941 0.166 266 HG23 ILE 37 3HG2 ILE 37 6.344 -4.529 -0.266 267 HD11 ILE 37 3HD1 ILE 37 5.116 -4.241 1.524 268 HD12 ILE 37 1HD1 ILE 37 4.250 -2.968 2.377 269 HD13 ILE 37 2HD1 ILE 37 4.005 -3.155 0.634 270 H LYS 38 H LYS 38 9.913 -1.101 -1.483 271 HA LYS 38 HA LYS 38 9.207 -0.347 -4.207 272 HB2 LYS 38 1HB LYS 38 11.812 -1.327 -2.958 273 HB3 LYS 38 2HB LYS 38 11.638 -0.967 -4.679 274 HG2 LYS 38 1HG LYS 38 10.965 1.364 -4.143 275 HG3 LYS 38 2HG LYS 38 11.216 1.041 -2.418 276 HD2 LYS 38 1HD LYS 38 13.589 0.585 -2.812 277 HD3 LYS 38 2HD LYS 38 13.370 0.749 -4.563 278 HE2 LYS 38 1HE LYS 38 12.715 3.130 -4.239 279 HE3 LYS 38 2HE LYS 38 13.017 2.973 -2.499 280 HZ1 LYS 38 3HZ LYS 38 15.084 2.501 -4.571 281 HZ2 LYS 38 1HZ LYS 38 15.328 2.642 -2.945 282 HZ3 LYS 38 2HZ LYS 38 14.869 3.938 -3.823 283 H GLN 39 H GLN 39 9.811 -3.455 -2.551 284 HA GLN 39 HA GLN 39 10.123 -4.896 -5.089 285 HB2 GLN 39 1HB GLN 39 10.092 -5.829 -2.184 286 HB3 GLN 39 2HB GLN 39 10.582 -6.806 -3.561 287 HG2 GLN 39 1HG GLN 39 12.611 -5.678 -3.849 288 HG3 GLN 39 2HG GLN 39 12.031 -4.181 -3.156 289 HE21 GLN 39 1HE2 GLN 39 12.576 -7.609 -1.988 290 HE22 GLN 39 2HE2 GLN 39 13.404 -7.120 -0.558 291 H TRP 40 H TRP 40 8.218 -5.439 -6.249 292 HA TRP 40 HA TRP 40 5.819 -6.001 -4.594 293 HB2 TRP 40 1HB TRP 40 4.506 -5.136 -6.497 294 HB3 TRP 40 2HB TRP 40 5.360 -4.026 -5.470 295 HD1 TRP 40 HD TRP 40 6.835 -2.277 -6.483 296 HE1 TRP 40 1HE TRP 40 7.438 -1.552 -8.873 297 HE3 TRP 40 3HE TRP 40 5.047 -6.330 -9.058 298 HZ2 TRP 40 2HZ TRP 40 7.100 -2.549 -11.546 299 HZ3 TRP 40 3HZ TRP 40 5.213 -6.396 -11.542 300 HH2 TRP 40 HH TRP 40 6.220 -4.511 -12.779 301 H GLN 41 H GLN 41 7.326 -7.179 -7.684 302 HA GLN 41 HA GLN 41 5.325 -9.172 -8.085 303 HB2 GLN 41 1HB GLN 41 8.294 -9.325 -8.793 304 HB3 GLN 41 2HB GLN 41 7.049 -10.477 -9.296 305 HG2 GLN 41 1HG GLN 41 5.825 -8.448 -10.304 306 HG3 GLN 41 2HG GLN 41 7.374 -7.608 -10.171 307 HE21 GLN 41 1HE2 GLN 41 9.001 -10.123 -10.814 308 HE22 GLN 41 2HE2 GLN 41 8.731 -10.347 -12.508 309 H GLN 42 H GLN 42 8.273 -9.241 -6.074 310 HA GLN 42 HA GLN 42 8.225 -11.927 -5.285 311 HB2 GLN 42 1HB GLN 42 9.146 -9.349 -4.002 312 HB3 GLN 42 2HB GLN 42 9.294 -10.875 -3.135 313 HG2 GLN 42 1HG GLN 42 10.264 -10.888 -5.994 314 HG3 GLN 42 2HG GLN 42 11.197 -9.937 -4.855 315 HE21 GLN 42 1HE2 GLN 42 10.414 -13.151 -5.875 316 HE22 GLN 42 2HE2 GLN 42 11.235 -14.051 -4.624 317 H ARG 43 H ARG 43 6.134 -9.280 -4.154 318 HA ARG 43 HA ARG 43 5.024 -11.032 -2.034 319 HB2 ARG 43 1HB ARG 43 4.244 -8.178 -2.660 320 HB3 ARG 43 2HB ARG 43 3.925 -9.109 -1.187 321 HG2 ARG 43 1HG ARG 43 6.572 -9.227 -1.038 322 HG3 ARG 43 2HG ARG 43 6.520 -7.887 -2.161 323 HD2 ARG 43 1HD ARG 43 5.758 -8.004 0.733 324 HD3 ARG 43 2HD ARG 43 6.689 -6.787 -0.125 325 HE ARG 43 HE ARG 43 3.977 -6.727 0.564 326 HH11 ARG 43 1HH1 ARG 43 5.931 -5.822 -2.324 327 HH12 ARG 43 2HH1 ARG 43 4.568 -4.989 -3.039 328 HH21 ARG 43 1HH2 ARG 43 2.394 -5.359 -0.361 329 HH22 ARG 43 2HH2 ARG 43 2.675 -4.630 -1.924 330 H ASN 44 H ASN 44 4.688 -11.489 -4.994 331 HA ASN 44 HA ASN 44 3.222 -12.366 -6.392 332 HB2 ASN 44 1HB ASN 44 2.103 -13.033 -3.932 333 HB3 ASN 44 2HB ASN 44 0.775 -12.250 -4.768 334 HD21 ASN 44 1HD2 ASN 44 2.481 -15.161 -4.362 335 HD22 ASN 44 2HD2 ASN 44 1.853 -16.046 -5.717 336 H LEU 45 H LEU 45 3.285 -9.226 -5.697 337 HA LEU 45 HA LEU 45 0.526 -8.591 -6.472 338 HB2 LEU 45 1HB LEU 45 2.677 -7.269 -4.863 339 HB3 LEU 45 2HB LEU 45 1.434 -6.243 -5.566 340 HG LEU 45 HG LEU 45 0.693 -8.697 -3.940 341 HD11 LEU 45 1HD1 LEU 45 0.474 -7.286 -1.965 342 HD12 LEU 45 2HD1 LEU 45 1.070 -5.880 -2.871 343 HD13 LEU 45 3HD1 LEU 45 2.139 -7.278 -2.545 344 HD21 LEU 45 3HD2 LEU 45 -1.181 -7.725 -5.185 345 HD22 LEU 45 1HD2 LEU 45 -0.800 -6.095 -4.552 346 HD23 LEU 45 2HD2 LEU 45 -1.369 -7.374 -3.480 347 HA PRO 46 HA PRO 46 1.425 -6.645 -10.363 348 HB2 PRO 46 1HB PRO 46 -0.440 -4.600 -10.388 349 HB3 PRO 46 2HB PRO 46 -0.938 -6.310 -10.565 350 HG2 PRO 46 1HG PRO 46 -0.785 -4.646 -8.134 351 HG3 PRO 46 2HG PRO 46 -2.160 -5.724 -8.632 352 HD2 PRO 46 1HD PRO 46 -0.419 -6.335 -6.763 353 HD3 PRO 46 2HD PRO 46 -0.999 -7.609 -7.914 354 H ALA 47 H ALA 47 2.061 -4.622 -11.341 355 HA ALA 47 HA ALA 47 3.933 -3.006 -9.966 356 HB1 ALA 47 1HB ALA 47 3.821 -1.598 -12.014 357 HB2 ALA 47 2HB ALA 47 3.868 -3.313 -12.443 358 HB3 ALA 47 3HB ALA 47 2.334 -2.423 -12.509 359 HA PRO 48 HA PRO 48 1.166 0.208 -8.275 360 HB2 PRO 48 1HB PRO 48 2.808 2.397 -8.326 361 HB3 PRO 48 2HB PRO 48 3.046 1.052 -7.161 362 HG2 PRO 48 1HG PRO 48 4.467 1.499 -9.800 363 HG3 PRO 48 2HG PRO 48 5.188 1.144 -8.195 364 HD2 PRO 48 1HD PRO 48 4.722 -0.810 -10.038 365 HD3 PRO 48 2HD PRO 48 4.510 -1.114 -8.287 366 H ASP 49 H ASP 49 0.365 2.481 -9.118 367 HA ASP 49 HA ASP 49 0.169 2.569 -12.070 368 HB2 ASP 49 1HB ASP 49 -1.066 4.140 -9.822 369 HB3 ASP 49 2HB ASP 49 -0.694 4.993 -11.278 370 H ALA 50 H ALA 50 0.940 4.505 -13.098 371 HA ALA 50 HA ALA 50 3.663 5.226 -12.526 372 HB1 ALA 50 1HB ALA 50 2.687 5.090 -14.762 373 HB2 ALA 50 2HB ALA 50 1.425 6.271 -14.322 374 HB3 ALA 50 3HB ALA 50 3.121 6.785 -14.421 375 H GLY 51 H GLY 51 3.961 6.272 -10.607 376 HA2 GLY 51 2HA GLY 51 4.224 8.397 -9.580 377 HA3 GLY 51 1HA GLY 51 2.607 8.889 -10.118 378 H SER 52 H SER 52 3.548 5.708 -8.613 379 HA SER 52 HA SER 52 2.398 6.483 -6.071 380 HB2 SER 52 1HB SER 52 0.637 4.695 -6.099 381 HB3 SER 52 2HB SER 52 0.302 6.038 -7.178 382 HG SER 52 HG SER 52 1.571 4.422 -8.721 383 H HIS 53 H HIS 53 2.289 4.395 -4.608 384 HA HIS 53 HA HIS 53 4.084 2.300 -5.451 385 HB2 HIS 53 1HB HIS 53 5.649 2.577 -3.608 386 HB3 HIS 53 2HB HIS 53 5.840 3.814 -4.845 387 HD1 HIS 53 1HD HIS 53 4.830 6.352 -4.118 388 HD2 HIS 53 2HD HIS 53 5.291 3.407 -1.123 389 HE1 HIS 53 1HE HIS 53 4.694 7.560 -1.887 390 H TRP 54 H TRP 54 4.283 0.631 -3.865 391 HA TRP 54 HA TRP 54 1.821 0.290 -2.389 392 HB2 TRP 54 1HB TRP 54 4.253 -1.461 -2.854 393 HB3 TRP 54 2HB TRP 54 2.884 -1.946 -1.854 394 HD1 TRP 54 HD TRP 54 3.913 -1.587 -5.494 395 HE1 TRP 54 1HE TRP 54 2.056 -2.599 -6.988 396 HE3 TRP 54 3HE TRP 54 0.216 -2.119 -1.997 397 HZ2 TRP 54 2HZ TRP 54 -0.746 -2.968 -6.797 398 HZ3 TRP 54 3HZ TRP 54 -2.110 -2.660 -2.682 399 HH2 TRP 54 HH TRP 54 -2.642 -3.011 -5.048 400 H THR 55 H THR 55 1.620 0.264 -0.115 401 HA THR 55 HA THR 55 4.070 0.468 1.483 402 HB THR 55 HB THR 55 3.122 2.097 2.937 403 HG1 THR 55 1HG THR 55 1.099 2.372 3.093 404 HG21 THR 55 3HG2 THR 55 2.872 4.069 1.540 405 HG22 THR 55 1HG2 THR 55 2.566 3.060 0.118 406 HG23 THR 55 2HG2 THR 55 4.166 3.037 0.903 407 H TYR 56 H TYR 56 3.469 -0.145 3.909 408 HA TYR 56 HA TYR 56 1.448 -2.307 3.908 409 HB2 TYR 56 1HB TYR 56 4.119 -2.469 4.551 410 HB3 TYR 56 2HB TYR 56 3.463 -2.058 6.112 411 HD1 TYR 56 2HD TYR 56 0.735 -3.671 5.565 412 HD2 TYR 56 1HD TYR 56 4.915 -4.597 5.245 413 HE1 TYR 56 2HE TYR 56 0.209 -6.067 5.813 414 HE2 TYR 56 1HE TYR 56 4.412 -7.020 5.507 415 HH TYR 56 HH TYR 56 2.522 -8.587 6.224 416 H MET 57 H MET 57 -0.420 -1.792 5.021 417 HA MET 57 HA MET 57 -0.465 0.395 7.037 418 HB2 MET 57 1HB MET 57 -2.459 -1.228 5.477 419 HB3 MET 57 2HB MET 57 -2.996 -0.267 6.851 420 HG2 MET 57 1HG MET 57 -1.377 1.034 4.685 421 HG3 MET 57 2HG MET 57 -3.095 0.690 4.447 422 HE1 MET 57 3HE MET 57 -3.244 4.481 4.914 423 HE2 MET 57 1HE MET 57 -1.827 3.653 4.212 424 HE3 MET 57 2HE MET 57 -3.471 3.088 3.845 425 H GLY 58 H GLY 58 -2.440 -0.728 8.628 426 HA2 GLY 58 2HA GLY 58 -1.128 -2.027 10.589 427 HA3 GLY 58 1HA GLY 58 -2.869 -1.967 10.388 428 H GLY 59 H GLY 59 -2.212 -3.622 7.783 429 HA2 GLY 59 2HA GLY 59 -1.044 -6.068 8.421 430 HA3 GLY 59 1HA GLY 59 -2.784 -6.269 8.683 431 H ASN 60 H ASN 60 -2.222 -3.931 6.223 432 HA ASN 60 HA ASN 60 -2.720 -5.927 4.097 433 HB2 ASN 60 1HB ASN 60 -4.401 -4.336 3.197 434 HB3 ASN 60 2HB ASN 60 -4.810 -4.988 4.760 435 HD21 ASN 60 1HD2 ASN 60 -4.769 -3.652 6.707 436 HD22 ASN 60 2HD2 ASN 60 -4.792 -1.936 6.517 437 H TYR 61 H TYR 61 -2.243 -5.192 1.982 438 HA TYR 61 HA TYR 61 0.004 -3.274 1.887 439 HB2 TYR 61 1HB TYR 61 -0.935 -5.448 -0.032 440 HB3 TYR 61 2HB TYR 61 0.377 -4.326 -0.363 441 HD1 TYR 61 2HD TYR 61 2.124 -4.175 1.789 442 HD2 TYR 61 1HD TYR 61 -0.308 -7.568 0.715 443 HE1 TYR 61 2HE TYR 61 3.798 -5.690 2.808 444 HE2 TYR 61 1HE TYR 61 1.375 -9.088 1.709 445 HH TYR 61 HH TYR 61 3.379 -8.817 3.579 446 H VAL 62 H VAL 62 -0.336 -1.340 0.832 447 HA VAL 62 HA VAL 62 -2.852 -1.055 -0.742 448 HB VAL 62 HB VAL 62 -2.861 1.238 0.500 449 HG11 VAL 62 1HG1 VAL 62 -4.165 0.205 2.423 450 HG12 VAL 62 2HG1 VAL 62 -4.615 -0.363 0.800 451 HG13 VAL 62 3HG1 VAL 62 -3.624 -1.375 1.847 452 HG21 VAL 62 3HG2 VAL 62 -1.562 -0.354 2.702 453 HG22 VAL 62 1HG2 VAL 62 -0.643 0.690 1.554 454 HG23 VAL 62 2HG2 VAL 62 -1.888 1.413 2.560 455 H LEU 63 H LEU 63 -2.842 0.656 -1.954 456 HA LEU 63 HA LEU 63 -0.163 1.469 -3.115 457 HB2 LEU 63 1HB LEU 63 -1.292 -0.214 -4.505 458 HB3 LEU 63 2HB LEU 63 -2.710 0.812 -4.611 459 HG LEU 63 HG LEU 63 -1.382 2.534 -5.843 460 HD11 LEU 63 1HD1 LEU 63 0.851 1.963 -6.713 461 HD12 LEU 63 2HD1 LEU 63 0.934 0.575 -5.590 462 HD13 LEU 63 3HD1 LEU 63 0.833 2.241 -4.999 463 HD21 LEU 63 3HD2 LEU 63 -1.110 -0.286 -7.024 464 HD22 LEU 63 1HD2 LEU 63 -1.238 1.239 -7.937 465 HD23 LEU 63 2HD2 LEU 63 -2.616 0.623 -7.019 466 H ILE 64 H ILE 64 0.216 3.592 -2.923 467 HA ILE 64 HA ILE 64 -2.074 5.479 -2.918 468 HB ILE 64 HB ILE 64 -1.011 6.609 -1.023 469 HG12 ILE 64 1HG1 ILE 64 0.672 4.691 0.163 470 HG13 ILE 64 2HG1 ILE 64 1.203 4.751 -1.523 471 HG21 ILE 64 1HG2 ILE 64 -1.631 5.032 0.706 472 HG22 ILE 64 2HG2 ILE 64 -2.803 4.986 -0.635 473 HG23 ILE 64 3HG2 ILE 64 -1.593 3.688 -0.427 474 HD11 ILE 64 3HD1 ILE 64 0.901 7.148 0.301 475 HD12 ILE 64 1HD1 ILE 64 2.426 6.349 -0.122 476 HD13 ILE 64 2HD1 ILE 64 1.487 7.184 -1.382 477 H THR 65 H THR 65 -1.688 7.510 -3.828 478 HA THR 65 HA THR 65 0.452 7.609 -5.759 479 HB THR 65 HB THR 65 -0.552 10.145 -5.731 480 HG1 THR 65 1HG THR 65 -2.745 9.929 -5.567 481 HG21 THR 65 3HG2 THR 65 -0.515 9.111 -7.729 482 HG22 THR 65 1HG2 THR 65 -2.258 9.130 -7.444 483 HG23 THR 65 2HG2 THR 65 -1.396 7.626 -7.146 484 H ASP 66 H ASP 66 2.207 8.861 -5.851 485 HA ASP 66 HA ASP 66 3.502 9.329 -3.365 486 HB2 ASP 66 1HB ASP 66 5.338 10.182 -4.705 487 HB3 ASP 66 2HB ASP 66 4.670 8.703 -5.401 488 H THR 67 H THR 67 1.624 11.377 -5.199 489 HA THR 67 HA THR 67 2.538 13.858 -3.890 490 HB THR 67 HB THR 67 2.875 13.628 -6.255 491 HG1 THR 67 1HG THR 67 2.259 15.641 -5.529 492 HG21 THR 67 3HG2 THR 67 1.004 13.306 -7.867 493 HG22 THR 67 1HG2 THR 67 -0.089 13.058 -6.506 494 HG23 THR 67 2HG2 THR 67 1.193 11.880 -6.854 495 H GLU 68 H GLU 68 -0.001 11.700 -3.601 496 HA GLU 68 HA GLU 68 -1.985 13.733 -2.696 497 HB2 GLU 68 1HB GLU 68 -2.432 13.596 -4.962 498 HB3 GLU 68 2HB GLU 68 -2.160 11.869 -5.054 499 HG2 GLU 68 1HG GLU 68 -4.302 11.393 -4.190 500 HG3 GLU 68 2HG GLU 68 -4.571 13.065 -3.664 501 H GLY 69 H GLY 69 -1.094 10.225 -3.035 502 HA2 GLY 69 2HA GLY 69 -1.347 8.581 -1.516 503 HA3 GLY 69 1HA GLY 69 -1.976 9.727 -0.339 504 H LYS 70 H LYS 70 -3.486 9.480 -3.509 505 HA LYS 70 HA LYS 70 -6.088 8.755 -2.496 506 HB2 LYS 70 1HB LYS 70 -4.770 9.186 -5.147 507 HB3 LYS 70 2HB LYS 70 -6.074 8.066 -5.173 508 HG2 LYS 70 1HG LYS 70 -6.389 10.742 -3.766 509 HG3 LYS 70 2HG LYS 70 -6.504 10.642 -5.525 510 HD2 LYS 70 1HD LYS 70 -8.351 9.336 -3.499 511 HD3 LYS 70 2HD LYS 70 -8.689 10.678 -4.583 512 HE2 LYS 70 1HE LYS 70 -9.538 9.119 -5.939 513 HE3 LYS 70 2HE LYS 70 -7.866 8.868 -6.434 514 HZ1 LYS 70 3HZ LYS 70 -9.302 7.381 -4.333 515 HZ2 LYS 70 1HZ LYS 70 -7.742 7.080 -4.781 516 HZ3 LYS 70 2HZ LYS 70 -8.941 6.775 -5.833 517 H ILE 71 H ILE 71 -6.898 6.872 -2.083 518 HA ILE 71 HA ILE 71 -5.277 4.478 -1.920 519 HB ILE 71 HB ILE 71 -8.256 4.963 -1.343 520 HG12 ILE 71 1HG1 ILE 71 -5.721 4.931 0.360 521 HG13 ILE 71 2HG1 ILE 71 -6.665 6.354 0.015 522 HG21 ILE 71 1HG2 ILE 71 -7.760 2.533 -1.700 523 HG22 ILE 71 2HG2 ILE 71 -6.543 2.612 -0.428 524 HG23 ILE 71 3HG2 ILE 71 -8.217 2.896 -0.038 525 HD11 ILE 71 3HD1 ILE 71 -7.217 4.146 1.928 526 HD12 ILE 71 1HD1 ILE 71 -7.351 5.904 2.107 527 HD13 ILE 71 2HD1 ILE 71 -8.600 5.008 1.224 528 H LEU 72 H LEU 72 -4.694 4.028 -4.023 529 HA LEU 72 HA LEU 72 -6.672 3.826 -6.111 530 HB2 LEU 72 1HB LEU 72 -3.877 2.626 -6.084 531 HB3 LEU 72 2HB LEU 72 -4.922 2.902 -7.471 532 HG LEU 72 HG LEU 72 -3.482 4.971 -5.781 533 HD11 LEU 72 1HD1 LEU 72 -2.184 3.892 -7.567 534 HD12 LEU 72 2HD1 LEU 72 -2.472 5.596 -7.937 535 HD13 LEU 72 3HD1 LEU 72 -3.419 4.333 -8.757 536 HD21 LEU 72 3HD2 LEU 72 -5.665 5.956 -6.185 537 HD22 LEU 72 1HD2 LEU 72 -5.649 5.454 -7.878 538 HD23 LEU 72 2HD2 LEU 72 -4.519 6.707 -7.290 539 H LYS 73 H LYS 73 -4.888 1.316 -4.138 540 HA LYS 73 HA LYS 73 -7.021 -0.642 -4.717 541 HB2 LYS 73 1HB LYS 73 -4.120 -0.916 -5.603 542 HB3 LYS 73 2HB LYS 73 -5.232 -2.266 -5.513 543 HG2 LYS 73 1HG LYS 73 -6.695 -1.218 -7.254 544 HG3 LYS 73 2HG LYS 73 -5.594 0.171 -7.307 545 HD2 LYS 73 1HD LYS 73 -4.627 -0.917 -8.968 546 HD3 LYS 73 2HD LYS 73 -3.729 -1.551 -7.699 547 HE2 LYS 73 1HE LYS 73 -5.530 -2.659 -9.669 548 HE3 LYS 73 2HE LYS 73 -4.212 -3.500 -8.975 549 HZ1 LYS 73 3HZ LYS 73 -6.471 -4.462 -8.501 550 HZ2 LYS 73 1HZ LYS 73 -6.812 -3.181 -7.538 551 HZ3 LYS 73 2HZ LYS 73 -5.596 -4.190 -7.153 552 H VAL 74 H VAL 74 -6.926 -2.442 -3.252 553 HA VAL 74 HA VAL 74 -4.908 -2.276 -1.095 554 HB VAL 74 HB VAL 74 -7.895 -2.787 -0.764 555 HG11 VAL 74 1HG1 VAL 74 -7.450 -2.590 1.638 556 HG12 VAL 74 2HG1 VAL 74 -6.425 -3.859 0.941 557 HG13 VAL 74 3HG1 VAL 74 -5.735 -2.284 1.333 558 HG21 VAL 74 3HG2 VAL 74 -7.622 -0.423 -1.355 559 HG22 VAL 74 1HG2 VAL 74 -8.050 -0.584 0.357 560 HG23 VAL 74 2HG2 VAL 74 -6.393 -0.212 -0.158 561 H TYR 75 H TYR 75 -4.107 -4.250 -0.656 562 HA TYR 75 HA TYR 75 -5.758 -6.637 -1.256 563 HB2 TYR 75 1HB TYR 75 -2.811 -6.383 -1.912 564 HB3 TYR 75 2HB TYR 75 -3.617 -7.932 -1.681 565 HD1 TYR 75 1HD TYR 75 -5.252 -8.812 -3.290 566 HD2 TYR 75 2HD TYR 75 -3.368 -4.992 -3.887 567 HE1 TYR 75 1HE TYR 75 -6.056 -8.804 -5.593 568 HE2 TYR 75 2HE TYR 75 -4.199 -4.973 -6.233 569 HH TYR 75 HH TYR 75 -6.349 -7.452 -7.538 570 H ASP 76 H ASP 76 -5.558 -8.265 0.415 571 HA ASP 76 HA ASP 76 -4.711 -7.159 2.953 572 HB2 ASP 76 1HB ASP 76 -6.612 -8.858 2.433 573 HB3 ASP 76 2HB ASP 76 -5.346 -10.080 2.452 574 H GLY 77 H GLY 77 -3.079 -8.183 4.397 575 HA2 GLY 77 2HA GLY 77 -0.525 -8.588 3.112 576 HA3 GLY 77 1HA GLY 77 -0.883 -8.712 4.831 577 H GLU 78 H GLU 78 -3.120 -10.677 3.793 578 HA GLU 78 HA GLU 78 -1.948 -13.197 4.222 579 HB2 GLU 78 1HB GLU 78 -4.419 -12.159 2.801 580 HB3 GLU 78 2HB GLU 78 -4.054 -13.875 2.779 581 HG2 GLU 78 1HG GLU 78 -4.184 -12.389 5.409 582 HG3 GLU 78 2HG GLU 78 -5.644 -12.960 4.589 583 H ILE 79 H ILE 79 -2.157 -11.210 1.245 584 HA ILE 79 HA ILE 79 -1.679 -13.290 -0.581 585 HB ILE 79 HB ILE 79 -2.533 -10.986 -1.040 586 HG12 ILE 79 1HG1 ILE 79 -0.171 -11.788 -2.774 587 HG13 ILE 79 2HG1 ILE 79 -1.744 -12.590 -2.815 588 HG21 ILE 79 1HG2 ILE 79 0.350 -10.039 -1.223 589 HG22 ILE 79 2HG2 ILE 79 -1.159 -9.085 -1.235 590 HG23 ILE 79 3HG2 ILE 79 -0.589 -9.835 0.258 591 HD11 ILE 79 3HD1 ILE 79 -2.847 -10.521 -3.528 592 HD12 ILE 79 1HD1 ILE 79 -1.317 -9.647 -3.421 593 HD13 ILE 79 2HD1 ILE 79 -1.481 -10.908 -4.621 594 H PHE 80 H PHE 80 0.563 -11.804 1.657 595 HA PHE 80 HA PHE 80 2.943 -12.109 0.107 596 HB2 PHE 80 1HB PHE 80 2.687 -10.749 2.224 597 HB3 PHE 80 2HB PHE 80 2.689 -12.245 3.136 598 HD1 PHE 80 2HD PHE 80 4.703 -10.017 0.962 599 HD2 PHE 80 1HD PHE 80 4.760 -13.501 3.481 600 HE1 PHE 80 2HE PHE 80 7.211 -9.996 0.951 601 HE2 PHE 80 1HE PHE 80 7.237 -13.481 3.452 602 HZ PHE 80 HZ PHE 80 8.459 -11.717 2.211 603 H TYR 81 H TYR 81 1.044 -14.441 1.980 604 HA TYR 81 HA TYR 81 3.201 -16.404 2.102 605 HB2 TYR 81 1HB TYR 81 0.217 -16.776 2.576 606 HB3 TYR 81 2HB TYR 81 1.498 -17.886 3.034 607 HD1 TYR 81 1HD TYR 81 3.313 -17.026 4.722 608 HD2 TYR 81 2HD TYR 81 -0.527 -15.164 4.150 609 HE1 TYR 81 1HE TYR 81 3.560 -15.833 6.891 610 HE2 TYR 81 2HE TYR 81 -0.304 -13.995 6.269 611 HH TYR 81 HH TYR 81 1.746 -14.667 8.707 612 H HIS 82 H HIS 82 0.775 -15.507 -0.183 613 HA HIS 82 HA HIS 82 0.418 -18.047 -1.492 614 HB2 HIS 82 1HB HIS 82 -1.176 -16.101 -1.613 615 HB3 HIS 82 2HB HIS 82 0.004 -15.245 -2.604 616 HD1 HIS 82 1HD HIS 82 -1.300 -18.924 -2.997 617 HD2 HIS 82 2HD HIS 82 -1.019 -15.203 -4.948 618 HE1 HIS 82 1HE HIS 82 -2.111 -19.291 -5.391 619 H ARG 83 H ARG 83 1.398 -18.778 -3.452 620 HA ARG 83 HA ARG 83 3.912 -17.470 -4.297 621 HB2 ARG 83 1HB ARG 83 3.658 -20.412 -3.510 622 HB3 ARG 83 2HB ARG 83 5.036 -19.657 -4.326 623 HG2 ARG 83 1HG ARG 83 4.982 -18.073 -2.201 624 HG3 ARG 83 2HG ARG 83 4.146 -19.428 -1.462 625 HD2 ARG 83 1HD ARG 83 6.918 -19.390 -2.718 626 HD3 ARG 83 2HD ARG 83 6.554 -19.516 -1.009 627 HE ARG 83 HE ARG 83 5.564 -21.709 -1.378 628 HH11 ARG 83 1HH1 ARG 83 7.903 -20.536 -3.744 629 HH12 ARG 83 2HH1 ARG 83 7.959 -21.963 -4.702 630 HH21 ARG 83 1HH2 ARG 83 5.878 -23.793 -2.413 631 HH22 ARG 83 2HH2 ARG 83 6.817 -23.913 -3.856 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -13.394 -13.213 -10.640 2 HA2 GLY 1 2HA GLY 1 -10.688 -12.056 -10.416 3 HA3 GLY 1 1HA GLY 1 -11.478 -12.992 -9.132 4 H ALA 2 H ALA 2 -9.643 -13.126 -12.052 5 HA ALA 2 HA ALA 2 -10.001 -15.940 -12.656 6 HB1 ALA 2 1HB ALA 2 -7.843 -13.966 -13.522 7 HB2 ALA 2 2HB ALA 2 -8.227 -15.543 -14.252 8 HB3 ALA 2 3HB ALA 2 -9.392 -14.221 -14.350 9 H ALA 3 H ALA 3 -9.624 -16.045 -10.080 10 HA ALA 3 HA ALA 3 -8.376 -16.754 -8.320 11 HB1 ALA 3 1HB ALA 3 -9.004 -18.697 -9.739 12 HB2 ALA 3 2HB ALA 3 -7.376 -18.655 -10.456 13 HB3 ALA 3 3HB ALA 3 -7.583 -18.965 -8.721 14 H GLY 4 H GLY 4 -7.181 -14.526 -8.876 15 HA2 GLY 4 2HA GLY 4 -4.231 -15.057 -8.939 16 HA3 GLY 4 1HA GLY 4 -5.014 -13.577 -9.514 17 H ILE 5 H ILE 5 -5.503 -12.038 -8.197 18 HA ILE 5 HA ILE 5 -4.678 -12.245 -5.347 19 HB ILE 5 HB ILE 5 -3.576 -10.063 -5.705 20 HG12 ILE 5 1HG1 ILE 5 -3.892 -10.529 -8.696 21 HG13 ILE 5 2HG1 ILE 5 -4.857 -9.367 -7.762 22 HG21 ILE 5 1HG2 ILE 5 -2.374 -12.302 -5.820 23 HG22 ILE 5 2HG2 ILE 5 -2.483 -12.194 -7.590 24 HG23 ILE 5 3HG2 ILE 5 -1.565 -10.984 -6.692 25 HD11 ILE 5 3HD1 ILE 5 -3.079 -8.163 -8.779 26 HD12 ILE 5 1HD1 ILE 5 -2.722 -8.283 -7.036 27 HD13 ILE 5 2HD1 ILE 5 -1.853 -9.309 -8.198 28 H ASP 6 H ASP 6 -6.961 -10.962 -7.626 29 HA ASP 6 HA ASP 6 -7.927 -8.688 -6.373 30 HB2 ASP 6 1HB ASP 6 -8.463 -9.826 -8.584 31 HB3 ASP 6 2HB ASP 6 -9.747 -10.683 -7.731 32 H GLN 7 H GLN 7 -8.508 -12.035 -5.517 33 HA GLN 7 HA GLN 7 -10.656 -11.839 -3.746 34 HB2 GLN 7 1HB GLN 7 -9.776 -13.883 -2.773 35 HB3 GLN 7 2HB GLN 7 -9.683 -13.925 -4.523 36 HG2 GLN 7 1HG GLN 7 -7.198 -13.212 -4.259 37 HG3 GLN 7 2HG GLN 7 -7.404 -13.604 -2.545 38 HE21 GLN 7 1HE2 GLN 7 -6.057 -14.948 -5.247 39 HE22 GLN 7 2HE2 GLN 7 -6.628 -16.567 -5.139 40 H TYR 8 H TYR 8 -7.283 -10.784 -3.230 41 HA TYR 8 HA TYR 8 -7.728 -10.415 -0.337 42 HB2 TYR 8 1HB TYR 8 -5.301 -9.854 -2.098 43 HB3 TYR 8 2HB TYR 8 -5.361 -9.681 -0.358 44 HD1 TYR 8 2HD TYR 8 -5.676 -11.715 1.109 45 HD2 TYR 8 1HD TYR 8 -4.849 -11.958 -3.121 46 HE1 TYR 8 2HE TYR 8 -5.089 -14.094 1.371 47 HE2 TYR 8 1HE TYR 8 -4.289 -14.372 -2.871 48 HH TYR 8 HH TYR 8 -4.444 -16.010 0.343 49 H ALA 9 H ALA 9 -8.559 -8.600 -3.141 50 HA ALA 9 HA ALA 9 -7.599 -6.056 -2.220 51 HB1 ALA 9 1HB ALA 9 -7.923 -6.478 -4.633 52 HB2 ALA 9 2HB ALA 9 -9.655 -6.724 -4.361 53 HB3 ALA 9 3HB ALA 9 -8.916 -5.132 -4.073 54 H LEU 10 H LEU 10 -8.430 -5.226 -0.355 55 HA LEU 10 HA LEU 10 -11.052 -6.125 0.631 56 HB2 LEU 10 1HB LEU 10 -9.024 -4.067 1.697 57 HB3 LEU 10 2HB LEU 10 -10.483 -4.617 2.520 58 HG LEU 10 HG LEU 10 -8.046 -6.301 1.850 59 HD11 LEU 10 1HD1 LEU 10 -9.210 -5.452 4.526 60 HD12 LEU 10 2HD1 LEU 10 -7.794 -4.730 3.755 61 HD13 LEU 10 3HD1 LEU 10 -7.736 -6.425 4.258 62 HD21 LEU 10 3HD2 LEU 10 -9.985 -7.767 1.674 63 HD22 LEU 10 1HD2 LEU 10 -10.642 -7.151 3.211 64 HD23 LEU 10 2HD2 LEU 10 -9.139 -8.096 3.171 65 H LYS 11 H LYS 11 -13.045 -4.940 0.225 66 HA LYS 11 HA LYS 11 -12.782 -2.590 -1.463 67 HB2 LYS 11 1HB LYS 11 -15.112 -3.591 0.212 68 HB3 LYS 11 2HB LYS 11 -15.167 -2.179 -0.834 69 HG2 LYS 11 1HG LYS 11 -14.301 -3.911 -2.695 70 HG3 LYS 11 2HG LYS 11 -14.976 -5.102 -1.576 71 HD2 LYS 11 1HD LYS 11 -16.700 -4.589 -3.105 72 HD3 LYS 11 2HD LYS 11 -17.139 -3.723 -1.612 73 HE2 LYS 11 1HE LYS 11 -15.807 -1.736 -2.673 74 HE3 LYS 11 2HE LYS 11 -15.945 -2.607 -4.197 75 HZ1 LYS 11 3HZ LYS 11 -17.644 -0.877 -3.739 76 HZ2 LYS 11 1HZ LYS 11 -18.303 -1.800 -2.573 77 HZ3 LYS 11 2HZ LYS 11 -18.295 -2.313 -4.141 78 H GLU 12 H GLU 12 -12.617 -3.197 2.015 79 HA GLU 12 HA GLU 12 -12.128 -0.399 2.534 80 HB2 GLU 12 1HB GLU 12 -13.954 -0.096 4.056 81 HB3 GLU 12 2HB GLU 12 -14.570 -0.508 2.472 82 HG2 GLU 12 1HG GLU 12 -14.815 -2.902 3.310 83 HG3 GLU 12 2HG GLU 12 -14.436 -2.314 4.920 84 H PHE 13 H PHE 13 -11.508 -0.062 4.720 85 HA PHE 13 HA PHE 13 -10.935 -2.281 6.476 86 HB2 PHE 13 1HB PHE 13 -8.489 -2.139 6.374 87 HB3 PHE 13 2HB PHE 13 -9.138 -2.616 4.835 88 HD1 PHE 13 1HD PHE 13 -7.479 0.098 6.700 89 HD2 PHE 13 2HD PHE 13 -8.919 -1.169 2.848 90 HE1 PHE 13 1HE PHE 13 -6.087 1.817 5.641 91 HE2 PHE 13 2HE PHE 13 -7.590 0.605 1.771 92 HZ PHE 13 HZ PHE 13 -6.143 2.114 3.161 93 H THR 14 H THR 14 -9.220 -1.351 8.265 94 HA THR 14 HA THR 14 -9.638 1.532 8.718 95 HB THR 14 HB THR 14 -9.904 -0.614 10.850 96 HG1 THR 14 1HG THR 14 -11.691 -0.730 9.628 97 HG21 THR 14 3HG2 THR 14 -10.718 1.144 12.314 98 HG22 THR 14 1HG2 THR 14 -10.624 2.335 11.029 99 HG23 THR 14 2HG2 THR 14 -9.131 1.631 11.709 100 H ALA 15 H ALA 15 -7.754 2.521 9.520 101 HA ALA 15 HA ALA 15 -5.651 0.925 10.711 102 HB1 ALA 15 1HB ALA 15 -3.875 1.813 9.124 103 HB2 ALA 15 2HB ALA 15 -4.941 0.592 8.441 104 HB3 ALA 15 3HB ALA 15 -5.179 2.307 8.035 105 H ASP 16 H ASP 16 -4.197 2.227 11.892 106 HA ASP 16 HA ASP 16 -3.824 3.872 13.416 107 HB2 ASP 16 1HB ASP 16 -3.311 4.826 10.723 108 HB3 ASP 16 2HB ASP 16 -3.613 6.175 11.765 109 H PHE 17 H PHE 17 -6.384 3.292 13.359 110 HA PHE 17 HA PHE 17 -8.435 3.887 14.196 111 HB2 PHE 17 1HB PHE 17 -7.096 6.397 15.243 112 HB3 PHE 17 2HB PHE 17 -8.506 5.569 15.886 113 HD1 PHE 17 2HD PHE 17 -8.245 3.475 17.178 114 HD2 PHE 17 1HD PHE 17 -4.834 5.637 15.694 115 HE1 PHE 17 2HE PHE 17 -6.751 2.138 18.660 116 HE2 PHE 17 1HE PHE 17 -3.344 4.313 17.145 117 HZ PHE 17 HZ PHE 17 -4.298 2.532 18.620 118 H THR 18 H THR 18 -8.259 4.361 11.501 119 HA THR 18 HA THR 18 -10.480 6.219 11.236 120 HB THR 18 HB THR 18 -7.897 6.509 9.647 121 HG1 THR 18 1HG THR 18 -8.648 7.629 11.844 122 HG21 THR 18 3HG2 THR 18 -10.549 7.943 9.241 123 HG22 THR 18 1HG2 THR 18 -9.742 6.834 8.093 124 HG23 THR 18 2HG2 THR 18 -9.024 8.392 8.467 125 H GLN 19 H GLN 19 -11.846 5.526 9.618 126 HA GLN 19 HA GLN 19 -11.505 2.864 8.452 127 HB2 GLN 19 1HB GLN 19 -13.593 3.948 9.600 128 HB3 GLN 19 2HB GLN 19 -13.775 4.872 8.130 129 HG2 GLN 19 1HG GLN 19 -14.902 3.178 7.215 130 HG3 GLN 19 2HG GLN 19 -13.484 2.135 7.341 131 HE21 GLN 19 1HE2 GLN 19 -13.139 1.081 9.666 132 HE22 GLN 19 2HE2 GLN 19 -14.611 0.556 10.404 133 H PHE 20 H PHE 20 -11.532 2.448 6.168 134 HA PHE 20 HA PHE 20 -11.256 4.689 4.212 135 HB2 PHE 20 1HB PHE 20 -9.313 2.403 4.544 136 HB3 PHE 20 2HB PHE 20 -9.274 3.646 3.310 137 HD1 PHE 20 1HD PHE 20 -8.769 6.083 3.990 138 HD2 PHE 20 2HD PHE 20 -8.408 2.752 6.695 139 HE1 PHE 20 1HE PHE 20 -7.320 7.447 5.468 140 HE2 PHE 20 2HE PHE 20 -6.914 4.113 8.145 141 HZ PHE 20 HZ PHE 20 -6.392 6.455 7.568 142 H HIS 21 H HIS 21 -11.401 4.047 2.026 143 HA HIS 21 HA HIS 21 -12.441 1.367 1.436 144 HB2 HIS 21 1HB HIS 21 -13.749 3.915 0.429 145 HB3 HIS 21 2HB HIS 21 -14.322 2.260 0.257 146 HD1 HIS 21 1HD HIS 21 -14.037 5.047 2.835 147 HD2 HIS 21 2HD HIS 21 -15.754 1.240 2.310 148 HE1 HIS 21 1HE HIS 21 -15.501 4.608 4.933 149 H ILE 22 H ILE 22 -12.517 1.129 -1.031 150 HA ILE 22 HA ILE 22 -10.072 1.923 -2.311 151 HB ILE 22 HB ILE 22 -12.733 1.122 -3.544 152 HG12 ILE 22 1HG1 ILE 22 -11.870 -0.660 -2.094 153 HG13 ILE 22 2HG1 ILE 22 -11.966 -1.125 -3.776 154 HG21 ILE 22 1HG2 ILE 22 -11.367 0.458 -5.553 155 HG22 ILE 22 2HG2 ILE 22 -11.416 2.196 -5.260 156 HG23 ILE 22 3HG2 ILE 22 -9.972 1.273 -4.813 157 HD11 ILE 22 3HD1 ILE 22 -9.405 -0.349 -2.323 158 HD12 ILE 22 1HD1 ILE 22 -9.956 -1.996 -2.699 159 HD13 ILE 22 2HD1 ILE 22 -9.521 -0.899 -4.014 160 H GLY 23 H GLY 23 -9.532 3.935 -3.015 161 HA2 GLY 23 2HA GLY 23 -9.800 5.861 -4.227 162 HA3 GLY 23 1HA GLY 23 -11.549 5.654 -4.266 163 H ASP 24 H ASP 24 -10.455 5.343 -1.018 164 HA ASP 24 HA ASP 24 -10.908 8.213 -0.426 165 HB2 ASP 24 1HB ASP 24 -10.568 5.725 1.256 166 HB3 ASP 24 2HB ASP 24 -10.186 7.290 1.955 167 H THR 25 H THR 25 -8.907 8.814 1.389 168 HA THR 25 HA THR 25 -6.335 8.280 0.010 169 HB THR 25 HB THR 25 -6.377 10.744 1.546 170 HG1 THR 25 1HG THR 25 -7.622 11.999 0.388 171 HG21 THR 25 3HG2 THR 25 -5.370 11.694 -0.469 172 HG22 THR 25 1HG2 THR 25 -5.818 10.245 -1.388 173 HG23 THR 25 2HG2 THR 25 -4.634 10.149 -0.041 174 H VAL 26 H VAL 26 -4.609 7.809 1.359 175 HA VAL 26 HA VAL 26 -5.169 7.127 4.165 176 HB VAL 26 HB VAL 26 -2.775 6.605 4.263 177 HG11 VAL 26 1HG1 VAL 26 -2.750 4.683 2.863 178 HG12 VAL 26 2HG1 VAL 26 -4.433 4.939 3.359 179 HG13 VAL 26 3HG1 VAL 26 -3.900 5.415 1.728 180 HG21 VAL 26 3HG2 VAL 26 -2.552 7.485 1.347 181 HG22 VAL 26 1HG2 VAL 26 -1.885 8.329 2.737 182 HG23 VAL 26 2HG2 VAL 26 -1.289 6.726 2.309 183 HA PRO 27 HA PRO 27 -3.575 11.099 5.787 184 HB2 PRO 27 1HB PRO 27 -2.390 10.301 8.107 185 HB3 PRO 27 2HB PRO 27 -4.149 10.277 7.947 186 HG2 PRO 27 1HG PRO 27 -2.310 7.959 7.597 187 HG3 PRO 27 2HG PRO 27 -3.818 8.032 8.559 188 HD2 PRO 27 1HD PRO 27 -3.884 7.000 6.078 189 HD3 PRO 27 2HD PRO 27 -5.197 8.052 6.671 190 H ALA 28 H ALA 28 -1.443 12.019 6.288 191 HA ALA 28 HA ALA 28 0.579 11.351 4.526 192 HB1 ALA 28 1HB ALA 28 1.501 13.251 5.293 193 HB2 ALA 28 2HB ALA 28 0.029 13.446 6.234 194 HB3 ALA 28 3HB ALA 28 1.463 12.715 6.985 195 H MET 29 H MET 29 -0.085 10.059 7.660 196 HA MET 29 HA MET 29 2.311 9.005 8.516 197 HB2 MET 29 1HB MET 29 -0.310 7.481 8.776 198 HB3 MET 29 2HB MET 29 1.075 7.489 9.866 199 HG2 MET 29 1HG MET 29 0.431 10.137 9.825 200 HG3 MET 29 2HG MET 29 -1.153 9.427 9.573 201 HE1 MET 29 3HE MET 29 1.457 8.833 13.340 202 HE2 MET 29 1HE MET 29 2.003 8.420 11.708 203 HE3 MET 29 2HE MET 29 1.684 10.118 12.135 204 H TYR 30 H TYR 30 0.469 7.981 5.822 205 HA TYR 30 HA TYR 30 2.201 5.550 5.488 206 HB2 TYR 30 1HB TYR 30 -0.568 6.125 4.431 207 HB3 TYR 30 2HB TYR 30 0.366 4.682 4.071 208 HD1 TYR 30 1HD TYR 30 1.084 3.142 5.994 209 HD2 TYR 30 2HD TYR 30 -1.800 6.304 6.447 210 HE1 TYR 30 1HE TYR 30 0.338 2.142 8.131 211 HE2 TYR 30 2HE TYR 30 -2.558 5.337 8.607 212 HH TYR 30 HH TYR 30 -1.328 3.638 10.449 213 H LEU 31 H LEU 31 2.038 8.665 4.297 214 HA LEU 31 HA LEU 31 2.746 8.024 1.501 215 HB2 LEU 31 1HB LEU 31 2.606 10.578 3.145 216 HB3 LEU 31 2HB LEU 31 3.468 10.538 1.623 217 HG LEU 31 HG LEU 31 1.176 11.463 1.460 218 HD11 LEU 31 1HD1 LEU 31 0.527 10.259 -0.596 219 HD12 LEU 31 2HD1 LEU 31 1.637 8.955 -0.193 220 HD13 LEU 31 3HD1 LEU 31 2.287 10.567 -0.558 221 HD21 LEU 31 3HD2 LEU 31 -0.773 10.099 1.483 222 HD22 LEU 31 1HD2 LEU 31 0.052 9.884 3.024 223 HD23 LEU 31 2HD2 LEU 31 0.193 8.633 1.784 224 H THR 32 H THR 32 4.246 8.457 4.589 225 HA THR 32 HA THR 32 6.761 9.302 3.973 226 HB THR 32 HB THR 32 6.307 9.422 6.199 227 HG1 THR 32 1HG THR 32 7.462 7.830 7.410 228 HG21 THR 32 3HG2 THR 32 5.065 6.698 5.937 229 HG22 THR 32 1HG2 THR 32 4.304 8.234 6.430 230 HG23 THR 32 2HG2 THR 32 5.393 7.400 7.531 231 HA PRO 33 HA PRO 33 9.218 5.976 2.250 232 HB2 PRO 33 1HB PRO 33 11.683 6.559 3.321 233 HB3 PRO 33 2HB PRO 33 10.872 7.598 2.113 234 HG2 PRO 33 1HG PRO 33 10.817 7.912 5.130 235 HG3 PRO 33 2HG PRO 33 11.318 9.132 3.910 236 HD2 PRO 33 1HD PRO 33 8.808 9.112 4.859 237 HD3 PRO 33 2HD PRO 33 9.076 9.360 3.117 238 H GLU 34 H GLU 34 8.441 6.160 5.617 239 HA GLU 34 HA GLU 34 10.014 4.086 6.746 240 HB2 GLU 34 1HB GLU 34 7.247 5.208 7.279 241 HB3 GLU 34 2HB GLU 34 7.863 3.843 8.224 242 HG2 GLU 34 1HG GLU 34 9.688 5.134 9.106 243 HG3 GLU 34 2HG GLU 34 9.434 6.429 7.919 244 H TYR 35 H TYR 35 6.684 3.941 5.510 245 HA TYR 35 HA TYR 35 6.655 1.038 5.579 246 HB2 TYR 35 1HB TYR 35 4.499 3.004 4.709 247 HB3 TYR 35 2HB TYR 35 4.270 1.311 5.161 248 HD1 TYR 35 2HD TYR 35 4.606 0.568 7.531 249 HD2 TYR 35 1HD TYR 35 4.778 4.709 6.390 250 HE1 TYR 35 2HE TYR 35 4.597 1.223 9.904 251 HE2 TYR 35 1HE TYR 35 4.784 5.398 8.747 252 HH TYR 35 HH TYR 35 5.517 3.219 11.322 253 H ASN 36 H ASN 36 7.875 2.966 3.328 254 HA ASN 36 HA ASN 36 6.839 2.214 0.778 255 HB2 ASN 36 1HB ASN 36 8.331 4.123 1.210 256 HB3 ASN 36 2HB ASN 36 9.581 3.027 1.814 257 HD21 ASN 36 1HD2 ASN 36 8.611 4.802 -0.887 258 HD22 ASN 36 2HD2 ASN 36 9.614 3.978 -2.039 259 H ILE 37 H ILE 37 7.155 0.358 -0.460 260 HA ILE 37 HA ILE 37 8.921 -1.754 0.671 261 HB ILE 37 HB ILE 37 6.356 -2.337 -0.816 262 HG12 ILE 37 1HG1 ILE 37 5.632 -1.093 1.177 263 HG13 ILE 37 2HG1 ILE 37 5.135 -2.752 1.232 264 HG21 ILE 37 1HG2 ILE 37 6.689 -4.529 0.416 265 HG22 ILE 37 2HG2 ILE 37 7.955 -4.148 -0.751 266 HG23 ILE 37 3HG2 ILE 37 8.244 -3.925 0.984 267 HD11 ILE 37 3HD1 ILE 37 5.849 -2.020 3.384 268 HD12 ILE 37 1HD1 ILE 37 6.884 -3.330 2.816 269 HD13 ILE 37 2HD1 ILE 37 7.456 -1.626 2.781 270 H LYS 38 H LYS 38 10.559 -0.785 -0.669 271 HA LYS 38 HA LYS 38 10.570 -0.601 -3.476 272 HB2 LYS 38 1HB LYS 38 12.836 -1.659 -1.720 273 HB3 LYS 38 2HB LYS 38 13.005 -1.034 -3.350 274 HG2 LYS 38 1HG LYS 38 12.218 0.584 -0.906 275 HG3 LYS 38 2HG LYS 38 13.800 0.527 -1.697 276 HD2 LYS 38 1HD LYS 38 12.868 1.522 -3.744 277 HD3 LYS 38 2HD LYS 38 11.252 1.520 -3.016 278 HE2 LYS 38 1HE LYS 38 12.160 3.749 -2.876 279 HE3 LYS 38 2HE LYS 38 12.016 3.070 -1.253 280 HZ1 LYS 38 3HZ LYS 38 14.557 3.125 -2.776 281 HZ2 LYS 38 1HZ LYS 38 14.330 2.702 -1.204 282 HZ3 LYS 38 2HZ LYS 38 14.080 4.254 -1.661 283 H GLN 39 H GLN 39 10.600 -3.453 -1.474 284 HA GLN 39 HA GLN 39 11.911 -5.175 -3.295 285 HB2 GLN 39 1HB GLN 39 10.145 -6.067 -0.994 286 HB3 GLN 39 2HB GLN 39 11.495 -6.920 -1.739 287 HG2 GLN 39 1HG GLN 39 12.527 -6.164 0.160 288 HG3 GLN 39 2HG GLN 39 12.921 -4.847 -0.937 289 HE21 GLN 39 1HE2 GLN 39 10.777 -5.863 1.735 290 HE22 GLN 39 2HE2 GLN 39 10.346 -4.205 2.201 291 H TRP 40 H TRP 40 8.792 -4.051 -3.799 292 HA TRP 40 HA TRP 40 7.218 -6.259 -3.972 293 HB2 TRP 40 1HB TRP 40 5.657 -4.937 -5.212 294 HB3 TRP 40 2HB TRP 40 6.428 -3.946 -4.001 295 HD1 TRP 40 HD TRP 40 7.628 -1.809 -4.795 296 HE1 TRP 40 1HE TRP 40 8.111 -0.676 -7.052 297 HE3 TRP 40 3HE TRP 40 5.817 -5.437 -8.033 298 HZ2 TRP 40 2HZ TRP 40 7.943 -1.327 -9.842 299 HZ3 TRP 40 3HZ TRP 40 6.299 -5.244 -10.415 300 HH2 TRP 40 HH TRP 40 7.342 -3.212 -11.352 301 H GLN 41 H GLN 41 9.856 -6.120 -6.117 302 HA GLN 41 HA GLN 41 8.672 -6.745 -8.572 303 HB2 GLN 41 1HB GLN 41 11.319 -6.721 -7.504 304 HB3 GLN 41 2HB GLN 41 11.120 -8.307 -8.218 305 HG2 GLN 41 1HG GLN 41 10.666 -5.637 -9.608 306 HG3 GLN 41 2HG GLN 41 12.044 -6.708 -9.843 307 HE21 GLN 41 1HE2 GLN 41 11.216 -9.175 -10.465 308 HE22 GLN 41 2HE2 GLN 41 10.000 -9.156 -11.706 309 H GLN 42 H GLN 42 9.425 -9.123 -5.874 310 HA GLN 42 HA GLN 42 7.845 -11.145 -7.312 311 HB2 GLN 42 1HB GLN 42 10.596 -11.298 -6.002 312 HB3 GLN 42 2HB GLN 42 9.592 -12.661 -6.406 313 HG2 GLN 42 1HG GLN 42 9.647 -11.341 -8.809 314 HG3 GLN 42 2HG GLN 42 11.216 -10.907 -8.147 315 HE21 GLN 42 1HE2 GLN 42 9.770 -13.083 -10.106 316 HE22 GLN 42 2HE2 GLN 42 10.661 -14.557 -9.800 317 H ARG 43 H ARG 43 6.391 -9.797 -5.602 318 HA ARG 43 HA ARG 43 6.281 -11.446 -3.141 319 HB2 ARG 43 1HB ARG 43 6.093 -8.406 -3.005 320 HB3 ARG 43 2HB ARG 43 6.023 -9.573 -1.672 321 HG2 ARG 43 1HG ARG 43 8.361 -10.305 -2.371 322 HG3 ARG 43 2HG ARG 43 8.386 -8.867 -3.389 323 HD2 ARG 43 1HD ARG 43 9.528 -8.301 -1.436 324 HD3 ARG 43 2HD ARG 43 7.993 -7.492 -1.310 325 HE ARG 43 HE ARG 43 7.555 -8.642 0.584 326 HH11 ARG 43 1HH1 ARG 43 9.885 -10.636 -1.249 327 HH12 ARG 43 2HH1 ARG 43 10.252 -11.665 0.063 328 HH21 ARG 43 1HH2 ARG 43 8.345 -9.855 2.428 329 HH22 ARG 43 2HH2 ARG 43 9.413 -11.200 2.219 330 H ASN 44 H ASN 44 4.831 -11.449 -5.611 331 HA ASN 44 HA ASN 44 2.812 -12.156 -6.202 332 HB2 ASN 44 1HB ASN 44 1.809 -11.368 -3.436 333 HB3 ASN 44 2HB ASN 44 0.961 -12.335 -4.633 334 HD21 ASN 44 1HD2 ASN 44 1.465 -14.483 -4.859 335 HD22 ASN 44 2HD2 ASN 44 2.609 -15.312 -3.807 336 H LEU 45 H LEU 45 2.921 -9.045 -4.614 337 HA LEU 45 HA LEU 45 0.535 -7.875 -5.543 338 HB2 LEU 45 1HB LEU 45 3.252 -6.657 -4.907 339 HB3 LEU 45 2HB LEU 45 1.782 -5.709 -5.091 340 HG LEU 45 HG LEU 45 1.923 -7.961 -3.031 341 HD11 LEU 45 1HD1 LEU 45 2.600 -6.280 -1.376 342 HD12 LEU 45 2HD1 LEU 45 2.826 -5.090 -2.688 343 HD13 LEU 45 3HD1 LEU 45 3.840 -6.551 -2.614 344 HD21 LEU 45 3HD2 LEU 45 -0.280 -7.028 -3.559 345 HD22 LEU 45 1HD2 LEU 45 0.299 -5.388 -3.176 346 HD23 LEU 45 2HD2 LEU 45 0.208 -6.634 -1.907 347 HA PRO 46 HA PRO 46 1.769 -6.885 -9.778 348 HB2 PRO 46 1HB PRO 46 0.019 -4.678 -10.170 349 HB3 PRO 46 2HB PRO 46 -0.423 -6.380 -10.434 350 HG2 PRO 46 1HG PRO 46 -1.249 -4.597 -8.267 351 HG3 PRO 46 2HG PRO 46 -1.921 -6.148 -8.765 352 HD2 PRO 46 1HD PRO 46 -0.193 -5.611 -6.527 353 HD3 PRO 46 2HD PRO 46 -0.845 -7.180 -7.054 354 H ALA 47 H ALA 47 2.564 -5.083 -11.040 355 HA ALA 47 HA ALA 47 4.354 -3.290 -9.618 356 HB1 ALA 47 1HB ALA 47 4.763 -2.310 -11.842 357 HB2 ALA 47 2HB ALA 47 4.785 -4.085 -11.980 358 HB3 ALA 47 3HB ALA 47 3.360 -3.165 -12.499 359 HA PRO 48 HA PRO 48 1.204 -0.249 -8.803 360 HB2 PRO 48 1HB PRO 48 2.671 2.010 -8.447 361 HB3 PRO 48 2HB PRO 48 2.716 0.639 -7.284 362 HG2 PRO 48 1HG PRO 48 4.702 1.255 -9.460 363 HG3 PRO 48 2HG PRO 48 5.016 0.834 -7.750 364 HD2 PRO 48 1HD PRO 48 5.089 -1.013 -9.776 365 HD3 PRO 48 2HD PRO 48 4.519 -1.436 -8.134 366 H ASP 49 H ASP 49 0.496 2.044 -9.632 367 HA ASP 49 HA ASP 49 0.735 2.188 -12.585 368 HB2 ASP 49 1HB ASP 49 -0.965 3.624 -10.530 369 HB3 ASP 49 2HB ASP 49 -0.664 4.370 -12.075 370 H ALA 50 H ALA 50 1.427 4.220 -13.508 371 HA ALA 50 HA ALA 50 3.927 5.203 -12.624 372 HB1 ALA 50 1HB ALA 50 3.495 6.946 -14.375 373 HB2 ALA 50 2HB ALA 50 3.175 5.280 -14.943 374 HB3 ALA 50 3HB ALA 50 1.830 6.342 -14.489 375 H GLY 51 H GLY 51 4.122 6.187 -10.646 376 HA2 GLY 51 2HA GLY 51 4.184 8.311 -9.523 377 HA3 GLY 51 1HA GLY 51 2.555 8.670 -10.092 378 H SER 52 H SER 52 3.365 5.415 -8.802 379 HA SER 52 HA SER 52 2.242 6.088 -6.224 380 HB2 SER 52 1HB SER 52 0.349 4.546 -6.426 381 HB3 SER 52 2HB SER 52 0.230 5.827 -7.618 382 HG SER 52 HG SER 52 1.383 4.208 -9.048 383 H HIS 53 H HIS 53 2.210 4.163 -4.768 384 HA HIS 53 HA HIS 53 4.123 2.043 -5.487 385 HB2 HIS 53 1HB HIS 53 5.361 4.108 -4.896 386 HB3 HIS 53 2HB HIS 53 4.602 4.109 -3.308 387 HD1 HIS 53 1HD HIS 53 6.807 1.693 -5.392 388 HD2 HIS 53 2HD HIS 53 5.927 2.867 -1.437 389 HE1 HIS 53 1HE HIS 53 8.335 0.302 -3.844 390 H TRP 54 H TRP 54 4.376 0.467 -3.698 391 HA TRP 54 HA TRP 54 1.807 0.114 -2.289 392 HB2 TRP 54 1HB TRP 54 4.167 -1.792 -2.604 393 HB3 TRP 54 2HB TRP 54 2.715 -2.099 -1.684 394 HD1 TRP 54 HD TRP 54 3.827 -2.038 -5.345 395 HE1 TRP 54 1HE TRP 54 1.956 -3.037 -6.762 396 HE3 TRP 54 3HE TRP 54 0.089 -2.201 -1.834 397 HZ2 TRP 54 2HZ TRP 54 -0.897 -3.368 -6.551 398 HZ3 TRP 54 3HZ TRP 54 -2.240 -2.859 -2.489 399 HH2 TRP 54 HH TRP 54 -2.724 -3.417 -4.853 400 H THR 55 H THR 55 1.634 0.547 -0.117 401 HA THR 55 HA THR 55 4.130 0.582 1.438 402 HB THR 55 HB THR 55 3.486 2.479 2.670 403 HG1 THR 55 1HG THR 55 1.561 3.598 2.200 404 HG21 THR 55 3HG2 THR 55 4.460 2.941 0.427 405 HG22 THR 55 1HG2 THR 55 3.416 4.241 1.027 406 HG23 THR 55 2HG2 THR 55 2.798 3.128 -0.209 407 H TYR 56 H TYR 56 3.850 -0.039 3.702 408 HA TYR 56 HA TYR 56 1.770 -2.093 3.993 409 HB2 TYR 56 1HB TYR 56 4.379 -1.779 4.994 410 HB3 TYR 56 2HB TYR 56 3.390 -1.512 6.382 411 HD1 TYR 56 2HD TYR 56 1.081 -3.422 5.791 412 HD2 TYR 56 1HD TYR 56 5.359 -3.881 5.486 413 HE1 TYR 56 2HE TYR 56 0.829 -5.870 5.963 414 HE2 TYR 56 1HE TYR 56 5.118 -6.316 5.720 415 HH TYR 56 HH TYR 56 3.585 -8.126 6.137 416 H MET 57 H MET 57 -0.234 -1.331 4.434 417 HA MET 57 HA MET 57 -0.656 0.990 6.215 418 HB2 MET 57 1HB MET 57 -3.040 0.675 5.760 419 HB3 MET 57 2HB MET 57 -2.151 0.850 4.295 420 HG2 MET 57 1HG MET 57 -2.436 -1.392 3.687 421 HG3 MET 57 2HG MET 57 -2.620 -1.907 5.374 422 HE1 MET 57 3HE MET 57 -4.415 -2.045 6.752 423 HE2 MET 57 1HE MET 57 -5.005 -0.370 6.668 424 HE3 MET 57 2HE MET 57 -6.109 -1.726 6.380 425 H GLY 58 H GLY 58 -3.002 -0.381 7.285 426 HA2 GLY 58 2HA GLY 58 -2.266 -1.490 9.789 427 HA3 GLY 58 1HA GLY 58 -3.849 -1.328 9.041 428 H GLY 59 H GLY 59 -0.794 -3.097 8.363 429 HA2 GLY 59 2HA GLY 59 -0.286 -5.144 8.400 430 HA3 GLY 59 1HA GLY 59 -1.893 -5.670 8.984 431 H ASN 60 H ASN 60 -1.914 -3.768 6.160 432 HA ASN 60 HA ASN 60 -1.972 -6.088 4.310 433 HB2 ASN 60 1HB ASN 60 -3.778 -3.691 3.992 434 HB3 ASN 60 2HB ASN 60 -3.886 -5.220 3.187 435 HD21 ASN 60 1HD2 ASN 60 -5.319 -3.367 5.636 436 HD22 ASN 60 2HD2 ASN 60 -5.740 -4.639 6.765 437 H TYR 61 H TYR 61 -1.582 -5.217 2.003 438 HA TYR 61 HA TYR 61 0.350 -2.952 2.108 439 HB2 TYR 61 1HB TYR 61 -0.202 -5.022 -0.052 440 HB3 TYR 61 2HB TYR 61 1.036 -3.775 -0.112 441 HD1 TYR 61 2HD TYR 61 2.844 -3.784 1.783 442 HD2 TYR 61 1HD TYR 61 0.250 -7.162 1.012 443 HE1 TYR 61 2HE TYR 61 4.503 -5.292 2.824 444 HE2 TYR 61 1HE TYR 61 1.910 -8.667 2.029 445 HH TYR 61 HH TYR 61 3.783 -8.701 3.445 446 H VAL 62 H VAL 62 -0.391 -0.921 1.127 447 HA VAL 62 HA VAL 62 -2.725 -1.196 -0.702 448 HB VAL 62 HB VAL 62 -3.330 1.165 -0.082 449 HG11 VAL 62 1HG1 VAL 62 -4.876 -0.437 0.537 450 HG12 VAL 62 2HG1 VAL 62 -3.807 -1.172 1.765 451 HG13 VAL 62 3HG1 VAL 62 -4.548 0.412 2.051 452 HG21 VAL 62 3HG2 VAL 62 -1.526 0.616 2.293 453 HG22 VAL 62 1HG2 VAL 62 -1.320 1.842 1.044 454 HG23 VAL 62 2HG2 VAL 62 -2.688 1.967 2.165 455 H LEU 63 H LEU 63 -2.755 0.131 -2.344 456 HA LEU 63 HA LEU 63 -0.122 1.140 -3.319 457 HB2 LEU 63 1HB LEU 63 -1.247 -0.439 -4.824 458 HB3 LEU 63 2HB LEU 63 -2.710 0.528 -4.787 459 HG LEU 63 HG LEU 63 -1.529 2.412 -5.883 460 HD11 LEU 63 1HD1 LEU 63 0.755 1.920 -6.903 461 HD12 LEU 63 2HD1 LEU 63 0.888 0.560 -5.758 462 HD13 LEU 63 3HD1 LEU 63 0.726 2.246 -5.194 463 HD21 LEU 63 3HD2 LEU 63 -2.660 0.680 -7.259 464 HD22 LEU 63 1HD2 LEU 63 -1.152 -0.260 -7.299 465 HD23 LEU 63 2HD2 LEU 63 -1.243 1.324 -8.096 466 H ILE 64 H ILE 64 0.180 3.271 -3.045 467 HA ILE 64 HA ILE 64 -2.143 5.111 -3.054 468 HB ILE 64 HB ILE 64 -1.093 6.305 -1.179 469 HG12 ILE 64 1HG1 ILE 64 0.544 4.379 0.069 470 HG13 ILE 64 2HG1 ILE 64 1.118 4.428 -1.592 471 HG21 ILE 64 1HG2 ILE 64 -1.770 4.784 0.585 472 HG22 ILE 64 2HG2 ILE 64 -2.917 4.758 -0.770 473 HG23 ILE 64 3HG2 ILE 64 -1.762 3.426 -0.545 474 HD11 ILE 64 3HD1 ILE 64 1.358 6.885 -1.427 475 HD12 ILE 64 1HD1 ILE 64 0.817 6.808 0.272 476 HD13 ILE 64 2HD1 ILE 64 2.344 6.028 -0.231 477 H THR 65 H THR 65 -1.692 7.195 -3.960 478 HA THR 65 HA THR 65 0.556 7.220 -5.820 479 HB THR 65 HB THR 65 -0.410 9.711 -6.054 480 HG1 THR 65 1HG THR 65 -2.574 9.735 -5.613 481 HG21 THR 65 3HG2 THR 65 -1.630 7.176 -7.137 482 HG22 THR 65 1HG2 THR 65 -0.496 8.281 -7.932 483 HG23 THR 65 2HG2 THR 65 -2.165 8.804 -7.633 484 H ASP 66 H ASP 66 2.209 8.569 -5.871 485 HA ASP 66 HA ASP 66 3.194 9.862 -3.447 486 HB2 ASP 66 1HB ASP 66 4.119 9.645 -6.237 487 HB3 ASP 66 2HB ASP 66 4.411 11.241 -5.557 488 H THR 67 H THR 67 1.149 11.041 -6.125 489 HA THR 67 HA THR 67 1.442 13.805 -5.294 490 HB THR 67 HB THR 67 1.503 13.229 -7.633 491 HG1 THR 67 1HG THR 67 0.255 14.842 -8.323 492 HG21 THR 67 3HG2 THR 67 0.045 11.264 -7.775 493 HG22 THR 67 1HG2 THR 67 -0.531 12.513 -8.875 494 HG23 THR 67 2HG2 THR 67 -1.373 12.253 -7.340 495 H GLU 68 H GLU 68 -0.472 11.346 -4.063 496 HA GLU 68 HA GLU 68 -1.955 13.278 -2.618 497 HB2 GLU 68 1HB GLU 68 -4.231 12.309 -3.080 498 HB3 GLU 68 2HB GLU 68 -3.531 13.464 -4.284 499 HG2 GLU 68 1HG GLU 68 -3.030 11.467 -5.732 500 HG3 GLU 68 2HG GLU 68 -3.924 10.514 -4.542 501 H GLY 69 H GLY 69 -1.477 9.855 -3.308 502 HA2 GLY 69 2HA GLY 69 -1.309 8.251 -1.796 503 HA3 GLY 69 1HA GLY 69 -1.865 9.260 -0.459 504 H LYS 70 H LYS 70 -3.691 9.045 -3.507 505 HA LYS 70 HA LYS 70 -6.041 8.134 -2.119 506 HB2 LYS 70 1HB LYS 70 -5.338 8.868 -4.890 507 HB3 LYS 70 2HB LYS 70 -6.377 7.479 -4.812 508 HG2 LYS 70 1HG LYS 70 -7.396 9.491 -2.960 509 HG3 LYS 70 2HG LYS 70 -7.029 10.265 -4.484 510 HD2 LYS 70 1HD LYS 70 -8.787 7.861 -4.054 511 HD3 LYS 70 2HD LYS 70 -9.342 9.503 -4.379 512 HE2 LYS 70 1HE LYS 70 -7.844 7.646 -6.285 513 HE3 LYS 70 2HE LYS 70 -9.529 8.133 -6.398 514 HZ1 LYS 70 3HZ LYS 70 -7.212 9.972 -6.686 515 HZ2 LYS 70 1HZ LYS 70 -8.801 10.389 -6.813 516 HZ3 LYS 70 2HZ LYS 70 -8.133 9.338 -7.906 517 H ILE 71 H ILE 71 -6.770 6.254 -1.726 518 HA ILE 71 HA ILE 71 -5.130 3.917 -1.696 519 HB ILE 71 HB ILE 71 -8.052 4.468 -0.985 520 HG12 ILE 71 1HG1 ILE 71 -5.532 4.425 0.731 521 HG13 ILE 71 2HG1 ILE 71 -6.373 5.881 0.247 522 HG21 ILE 71 1HG2 ILE 71 -6.328 2.159 -0.004 523 HG22 ILE 71 2HG2 ILE 71 -8.040 2.495 0.393 524 HG23 ILE 71 3HG2 ILE 71 -7.587 2.013 -1.240 525 HD11 ILE 71 3HD1 ILE 71 -8.380 5.113 1.508 526 HD12 ILE 71 1HD1 ILE 71 -7.381 3.782 2.146 527 HD13 ILE 71 2HD1 ILE 71 -6.937 5.453 2.487 528 H LEU 72 H LEU 72 -4.671 3.610 -3.905 529 HA LEU 72 HA LEU 72 -6.745 3.333 -5.913 530 HB2 LEU 72 1HB LEU 72 -3.877 2.300 -5.960 531 HB3 LEU 72 2HB LEU 72 -4.980 2.305 -7.336 532 HG LEU 72 HG LEU 72 -3.831 4.682 -5.886 533 HD11 LEU 72 1HD1 LEU 72 -2.321 3.479 -7.551 534 HD12 LEU 72 2HD1 LEU 72 -2.519 5.196 -7.749 535 HD13 LEU 72 3HD1 LEU 72 -3.404 4.063 -8.811 536 HD21 LEU 72 3HD2 LEU 72 -6.074 5.346 -6.577 537 HD22 LEU 72 1HD2 LEU 72 -5.900 4.501 -8.143 538 HD23 LEU 72 2HD2 LEU 72 -5.019 5.984 -7.817 539 H LYS 73 H LYS 73 -4.787 1.050 -3.979 540 HA LYS 73 HA LYS 73 -6.829 -0.994 -4.231 541 HB2 LYS 73 1HB LYS 73 -3.955 -1.398 -5.208 542 HB3 LYS 73 2HB LYS 73 -5.062 -2.711 -4.813 543 HG2 LYS 73 1HG LYS 73 -6.654 -1.883 -6.537 544 HG3 LYS 73 2HG LYS 73 -5.456 -0.688 -7.053 545 HD2 LYS 73 1HD LYS 73 -4.751 -3.632 -6.886 546 HD3 LYS 73 2HD LYS 73 -5.634 -3.018 -8.268 547 HE2 LYS 73 1HE LYS 73 -2.974 -1.814 -7.384 548 HE3 LYS 73 2HE LYS 73 -3.081 -3.189 -8.494 549 HZ1 LYS 73 3HZ LYS 73 -4.373 -1.871 -9.994 550 HZ2 LYS 73 1HZ LYS 73 -2.938 -1.162 -9.717 551 HZ3 LYS 73 2HZ LYS 73 -4.257 -0.514 -9.039 552 H VAL 74 H VAL 74 -6.216 -2.795 -2.844 553 HA VAL 74 HA VAL 74 -4.316 -2.561 -0.723 554 HB VAL 74 HB VAL 74 -6.350 -1.875 0.515 555 HG11 VAL 74 1HG1 VAL 74 -8.378 -2.733 0.290 556 HG12 VAL 74 2HG1 VAL 74 -7.814 -1.913 -1.108 557 HG13 VAL 74 3HG1 VAL 74 -7.859 -3.706 -1.174 558 HG21 VAL 74 3HG2 VAL 74 -5.151 -3.822 1.537 559 HG22 VAL 74 1HG2 VAL 74 -6.849 -3.568 1.969 560 HG23 VAL 74 2HG2 VAL 74 -6.426 -4.836 0.806 561 H TYR 75 H TYR 75 -3.535 -4.603 -0.287 562 HA TYR 75 HA TYR 75 -5.199 -6.868 -0.995 563 HB2 TYR 75 1HB TYR 75 -2.263 -6.815 -1.738 564 HB3 TYR 75 2HB TYR 75 -3.276 -8.253 -1.694 565 HD1 TYR 75 1HD TYR 75 -5.541 -8.072 -3.175 566 HD2 TYR 75 2HD TYR 75 -2.013 -5.710 -3.835 567 HE1 TYR 75 1HE TYR 75 -6.222 -7.728 -5.484 568 HE2 TYR 75 2HE TYR 75 -2.702 -5.365 -6.193 569 HH TYR 75 HH TYR 75 -5.862 -5.927 -7.300 570 H ASP 76 H ASP 76 -5.373 -8.070 0.921 571 HA ASP 76 HA ASP 76 -4.116 -7.368 3.344 572 HB2 ASP 76 1HB ASP 76 -6.134 -8.782 3.183 573 HB3 ASP 76 2HB ASP 76 -5.151 -10.100 2.571 574 H GLY 77 H GLY 77 -2.374 -8.337 4.525 575 HA2 GLY 77 2HA GLY 77 0.072 -8.710 3.137 576 HA3 GLY 77 1HA GLY 77 -0.256 -9.107 4.811 577 H GLU 78 H GLU 78 -2.491 -11.027 4.002 578 HA GLU 78 HA GLU 78 -1.148 -13.489 3.837 579 HB2 GLU 78 1HB GLU 78 -3.970 -12.627 3.109 580 HB3 GLU 78 2HB GLU 78 -3.425 -14.304 2.980 581 HG2 GLU 78 1HG GLU 78 -2.847 -14.358 5.362 582 HG3 GLU 78 2HG GLU 78 -3.431 -12.708 5.568 583 H ILE 79 H ILE 79 -1.933 -11.225 1.214 584 HA ILE 79 HA ILE 79 -1.892 -12.989 -0.964 585 HB ILE 79 HB ILE 79 -2.496 -10.548 -0.970 586 HG12 ILE 79 1HG1 ILE 79 -0.449 -11.397 -3.044 587 HG13 ILE 79 2HG1 ILE 79 -2.125 -11.938 -3.024 588 HG21 ILE 79 1HG2 ILE 79 -0.882 -8.806 -1.063 589 HG22 ILE 79 2HG2 ILE 79 -0.291 -9.818 0.242 590 HG23 ILE 79 3HG2 ILE 79 0.468 -9.924 -1.355 591 HD11 ILE 79 3HD1 ILE 79 -1.590 -10.073 -4.630 592 HD12 ILE 79 1HD1 ILE 79 -2.931 -9.739 -3.510 593 HD13 ILE 79 2HD1 ILE 79 -1.321 -9.007 -3.266 594 H PHE 80 H PHE 80 0.727 -11.816 1.041 595 HA PHE 80 HA PHE 80 2.947 -12.131 -0.698 596 HB2 PHE 80 1HB PHE 80 2.989 -10.739 1.315 597 HB3 PHE 80 2HB PHE 80 2.583 -12.134 2.302 598 HD1 PHE 80 1HD PHE 80 5.363 -11.578 -0.242 599 HD2 PHE 80 2HD PHE 80 4.191 -12.674 3.769 600 HE1 PHE 80 1HE PHE 80 7.604 -12.479 0.186 601 HE2 PHE 80 2HE PHE 80 6.459 -13.486 4.223 602 HZ PHE 80 HZ PHE 80 8.185 -13.437 2.423 603 H TYR 81 H TYR 81 0.990 -14.597 0.770 604 HA TYR 81 HA TYR 81 3.217 -16.564 0.617 605 HB2 TYR 81 1HB TYR 81 0.575 -16.789 2.010 606 HB3 TYR 81 2HB TYR 81 1.902 -17.939 2.082 607 HD1 TYR 81 1HD TYR 81 3.948 -17.412 3.362 608 HD2 TYR 81 2HD TYR 81 0.638 -14.675 3.223 609 HE1 TYR 81 1HE TYR 81 4.934 -16.151 5.229 610 HE2 TYR 81 2HE TYR 81 1.605 -13.368 5.051 611 HH TYR 81 HH TYR 81 4.588 -14.472 6.760 612 H HIS 82 H HIS 82 0.600 -15.532 -1.235 613 HA HIS 82 HA HIS 82 -0.342 -18.103 -2.194 614 HB2 HIS 82 1HB HIS 82 -1.584 -15.877 -1.794 615 HB3 HIS 82 2HB HIS 82 -0.864 -15.297 -3.269 616 HD1 HIS 82 1HD HIS 82 -3.768 -17.136 -1.930 617 HD2 HIS 82 2HD HIS 82 -1.801 -16.678 -5.624 618 HE1 HIS 82 1HE HIS 82 -5.360 -18.002 -3.718 619 H ARG 83 H ARG 83 2.494 -17.923 -2.584 620 HA ARG 83 HA ARG 83 3.134 -16.467 -5.007 621 HB2 ARG 83 1HB ARG 83 4.284 -16.524 -2.660 622 HB3 ARG 83 2HB ARG 83 5.044 -18.007 -3.217 623 HG2 ARG 83 1HG ARG 83 5.161 -15.333 -4.660 624 HG3 ARG 83 2HG ARG 83 6.314 -15.867 -3.449 625 HD2 ARG 83 1HD ARG 83 6.704 -17.944 -4.942 626 HD3 ARG 83 2HD ARG 83 5.864 -17.043 -6.209 627 HE ARG 83 HE ARG 83 7.715 -15.741 -6.515 628 HH11 ARG 83 1HH1 ARG 83 8.044 -17.125 -3.180 629 HH12 ARG 83 2HH1 ARG 83 9.674 -16.569 -3.052 630 HH21 ARG 83 1HH2 ARG 83 9.998 -15.256 -6.238 631 HH22 ARG 83 2HH2 ARG 83 10.710 -15.507 -4.660
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