NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22488 | 2jow | 15206 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 3.625 7.547 -21.399 2 H2 MET 1 H2 MET 1 3.062 6.149 -22.043 3 H3 MET 1 H3 MET 1 2.228 6.897 -20.851 4 HA MET 1 HA MET 1 3.363 4.995 -19.956 5 HB2 MET 1 HB2 MET 1 5.178 5.007 -21.676 6 HB3 MET 1 HB3 MET 1 5.916 6.397 -20.869 7 HG2 MET 1 HG2 MET 1 6.249 5.041 -18.830 8 HG3 MET 1 HG3 MET 1 5.423 3.674 -19.592 9 HE1 MET 1 HE1 MET 1 9.106 2.398 -19.354 10 HE2 MET 1 HE2 MET 1 8.242 3.415 -18.180 11 HE3 MET 1 HE3 MET 1 7.400 2.066 -18.979 12 H ALA 2 H ALA 2 3.521 5.091 -17.760 13 HA ALA 2 HA ALA 2 4.608 7.462 -16.340 14 HB1 ALA 2 HB1 ALA 2 2.483 7.714 -15.035 15 HB2 ALA 2 HB2 ALA 2 2.110 7.968 -16.759 16 HB3 ALA 2 HB3 ALA 2 1.730 6.419 -15.943 17 H THR 3 H THR 3 4.738 7.311 -14.207 18 HA THR 3 HA THR 3 5.247 4.646 -13.080 19 HB THR 3 HB THR 3 5.733 6.054 -11.072 20 HG1 THR 3 HG1 THR 3 6.171 8.260 -11.479 21 HG21 THR 3 HG21 THR 3 7.444 5.133 -12.620 22 HG22 THR 3 HG22 THR 3 7.238 6.543 -13.703 23 HG23 THR 3 HG23 THR 3 7.971 6.744 -12.076 24 HA PRO 4 HA PRO 4 1.366 4.262 -11.604 25 HB2 PRO 4 HB2 PRO 4 2.266 2.968 -9.077 26 HB3 PRO 4 HB3 PRO 4 1.259 2.320 -10.424 27 HG2 PRO 4 HG2 PRO 4 3.932 1.596 -10.079 28 HG3 PRO 4 HG3 PRO 4 3.152 1.741 -11.694 29 HD2 PRO 4 HD2 PRO 4 4.989 3.694 -10.393 30 HD3 PRO 4 HD3 PRO 4 4.815 3.106 -12.057 31 H TRP 5 H TRP 5 -0.220 5.371 -10.553 32 HA TRP 5 HA TRP 5 0.399 7.807 -9.325 33 HB2 TRP 5 HB2 TRP 5 -1.990 8.030 -8.923 34 HB3 TRP 5 HB3 TRP 5 -1.660 7.418 -10.533 35 HD1 TRP 5 HD1 TRP 5 -2.671 5.115 -11.192 36 HE1 TRP 5 HE1 TRP 5 -4.265 3.440 -10.080 37 HE3 TRP 5 HE3 TRP 5 -2.710 7.053 -6.440 38 HZ2 TRP 5 HZ2 TRP 5 -5.377 2.967 -7.463 39 HZ3 TRP 5 HZ3 TRP 5 -4.040 5.950 -4.654 40 HH2 TRP 5 HH2 TRP 5 -5.369 3.912 -5.149 41 H SER 6 H SER 6 -0.108 4.722 -7.704 42 HA SER 6 HA SER 6 -0.617 5.684 -5.068 43 HB2 SER 6 HB2 SER 6 0.128 3.411 -4.379 44 HB3 SER 6 HB3 SER 6 -1.073 3.407 -5.684 45 HG SER 6 HG SER 6 0.703 1.965 -6.073 46 H GLY 7 H GLY 7 2.385 5.643 -6.869 47 HA2 GLY 7 HA2 GLY 7 4.095 6.041 -4.486 48 HA3 GLY 7 HA3 GLY 7 4.589 6.028 -6.180 49 H TYR 8 H TYR 8 2.077 8.058 -6.319 50 HA TYR 8 HA TYR 8 3.515 10.526 -5.658 51 HB2 TYR 8 HB2 TYR 8 2.362 9.672 -8.329 52 HB3 TYR 8 HB3 TYR 8 2.899 11.313 -7.988 53 HD1 TYR 8 HD2 TYR 8 5.293 11.839 -7.584 54 HD2 TYR 8 HD1 TYR 8 4.012 7.882 -8.734 55 HE1 TYR 8 HE2 TYR 8 7.653 11.222 -8.085 56 HE2 TYR 8 HE1 TYR 8 6.383 7.252 -9.182 57 HH TYR 8 HH TYR 8 9.086 9.564 -8.763 58 H LEU 9 H LEU 9 1.011 8.973 -4.824 59 HA LEU 9 HA LEU 9 -1.344 10.126 -5.554 60 HB2 LEU 9 HB2 LEU 9 -1.212 8.107 -4.259 61 HB3 LEU 9 HB3 LEU 9 -0.464 8.943 -2.896 62 HG LEU 9 HG LEU 9 -2.525 10.133 -2.403 63 HD11 LEU 9 HD11 LEU 9 -4.609 9.720 -3.591 64 HD12 LEU 9 HD12 LEU 9 -3.412 10.374 -4.700 65 HD13 LEU 9 HD13 LEU 9 -3.773 8.641 -4.750 66 HD21 LEU 9 HD21 LEU 9 -2.220 7.900 -1.429 67 HD22 LEU 9 HD22 LEU 9 -3.933 8.230 -1.742 68 HD23 LEU 9 HD23 LEU 9 -3.021 7.162 -2.832 69 H ASP 10 H ASP 10 0.715 11.333 -2.920 70 HA ASP 10 HA ASP 10 -1.095 13.485 -2.260 71 HB2 ASP 10 HB2 ASP 10 0.515 12.281 -0.695 72 HB3 ASP 10 HB3 ASP 10 1.842 13.136 -1.479 73 H ASP 11 H ASP 11 0.162 13.301 -5.033 74 HA ASP 11 HA ASP 11 0.472 16.235 -5.419 75 HB2 ASP 11 HB2 ASP 11 2.697 15.167 -5.686 76 HB3 ASP 11 HB3 ASP 11 2.021 14.097 -6.913 77 H VAL 12 H VAL 12 -0.377 13.114 -6.835 78 HA VAL 12 HA VAL 12 -1.853 14.156 -9.028 79 HB VAL 12 HB VAL 12 -1.633 11.433 -7.681 80 HG11 VAL 12 HG11 VAL 12 -3.786 11.383 -8.768 81 HG12 VAL 12 HG12 VAL 12 -3.104 12.095 -10.257 82 HG13 VAL 12 HG13 VAL 12 -2.634 10.457 -9.742 83 HG21 VAL 12 HG21 VAL 12 -0.517 12.512 -10.304 84 HG22 VAL 12 HG22 VAL 12 0.394 12.376 -8.790 85 HG23 VAL 12 HG23 VAL 12 -0.199 10.908 -9.595 86 H SER 13 H SER 13 -2.946 12.681 -5.971 87 HA SER 13 HA SER 13 -5.731 13.483 -6.384 88 HB2 SER 13 HB2 SER 13 -5.180 11.478 -5.110 89 HB3 SER 13 HB3 SER 13 -4.255 12.463 -3.920 90 HG SER 13 HG SER 13 -6.433 11.977 -3.245 91 H ALA 14 H ALA 14 -2.872 14.642 -4.587 92 HA ALA 14 HA ALA 14 -4.287 16.490 -3.137 93 HB1 ALA 14 HB1 ALA 14 -1.410 16.832 -4.023 94 HB2 ALA 14 HB2 ALA 14 -2.215 17.665 -2.670 95 HB3 ALA 14 HB3 ALA 14 -1.991 15.909 -2.601 96 H LYS 15 H LYS 15 -3.652 16.708 -6.538 97 HA LYS 15 HA LYS 15 -3.867 19.427 -7.110 98 HB2 LYS 15 HB2 LYS 15 -4.382 18.813 -9.252 99 HB3 LYS 15 HB3 LYS 15 -3.579 17.354 -8.658 100 HG2 LYS 15 HG2 LYS 15 -5.876 16.360 -8.235 101 HG3 LYS 15 HG3 LYS 15 -6.599 17.767 -9.007 102 HD2 LYS 15 HD2 LYS 15 -4.563 15.951 -10.358 103 HD3 LYS 15 HD3 LYS 15 -6.318 15.768 -10.504 104 HE2 LYS 15 HE2 LYS 15 -6.490 18.030 -11.491 105 HE3 LYS 15 HE3 LYS 15 -4.744 18.252 -11.322 106 HZ1 LYS 15 HZ1 LYS 15 -6.027 16.165 -13.005 107 HZ2 LYS 15 HZ2 LYS 15 -5.330 17.533 -13.564 108 HZ3 LYS 15 HZ3 LYS 15 -4.415 16.388 -12.850 109 H PHE 16 H PHE 16 -6.357 17.218 -6.002 110 HA PHE 16 HA PHE 16 -8.643 18.834 -6.362 111 HB2 PHE 16 HB2 PHE 16 -9.662 17.023 -5.609 112 HB3 PHE 16 HB3 PHE 16 -8.128 16.227 -5.465 113 HD1 PHE 16 HD2 PHE 16 -10.649 18.292 -3.601 114 HD2 PHE 16 HD1 PHE 16 -7.344 15.550 -3.252 115 HE1 PHE 16 HE2 PHE 16 -11.005 18.168 -1.147 116 HE2 PHE 16 HE1 PHE 16 -7.707 15.421 -0.811 117 HZ PHE 16 HZ PHE 16 -9.527 16.741 0.254 118 H ASP 17 H ASP 17 -6.234 18.759 -3.753 119 HA ASP 17 HA ASP 17 -7.773 20.057 -1.840 120 HB2 ASP 17 HB2 ASP 17 -5.722 18.660 -1.485 121 HB3 ASP 17 HB3 ASP 17 -4.743 20.021 -2.037 122 H THR 18 H THR 18 -6.176 21.551 -4.529 123 HA THR 18 HA THR 18 -6.528 24.213 -3.354 124 HB THR 18 HB THR 18 -4.308 23.535 -4.261 125 HG1 THR 18 HG1 THR 18 -3.972 25.576 -5.109 126 HG21 THR 18 HG21 THR 18 -3.903 23.754 -6.647 127 HG22 THR 18 HG22 THR 18 -5.080 22.463 -6.364 128 HG23 THR 18 HG23 THR 18 -5.630 24.049 -6.953 129 H GLY 19 H GLY 19 -7.805 22.153 -5.912 130 HA2 GLY 19 HA2 GLY 19 -9.393 24.239 -7.208 131 HA3 GLY 19 HA3 GLY 19 -9.611 22.501 -7.377 132 H VAL 20 H VAL 20 -10.036 21.726 -4.713 133 HA VAL 20 HA VAL 20 -12.693 22.452 -4.080 134 HB VAL 20 HB VAL 20 -11.089 20.520 -3.230 135 HG11 VAL 20 HG11 VAL 20 -10.739 22.309 -0.853 136 HG12 VAL 20 HG12 VAL 20 -10.279 20.605 -1.030 137 HG13 VAL 20 HG13 VAL 20 -9.488 21.822 -2.030 138 HG21 VAL 20 HG21 VAL 20 -13.117 21.777 -1.326 139 HG22 VAL 20 HG22 VAL 20 -13.583 20.839 -2.738 140 HG23 VAL 20 HG23 VAL 20 -12.692 20.046 -1.430 141 H ASP 21 H ASP 21 -9.669 23.808 -2.991 142 HA ASP 21 HA ASP 21 -10.872 25.562 -1.164 143 HB2 ASP 21 HB2 ASP 21 -8.682 24.916 -0.801 144 HB3 ASP 21 HB3 ASP 21 -8.185 25.343 -2.414 145 H ASN 22 H ASN 22 -10.607 25.930 -4.646 146 HA ASN 22 HA ASN 22 -11.229 28.735 -4.565 147 HB2 ASN 22 HB2 ASN 22 -11.899 26.555 -6.634 148 HB3 ASN 22 HB3 ASN 22 -12.160 28.270 -6.890 149 HD21 ASN 22 HD21 ASN 22 -10.379 26.308 -8.346 150 HD22 ASN 22 HD22 ASN 22 -8.805 27.092 -8.323 151 H LEU 23 H LEU 23 -13.090 25.793 -4.155 152 HA LEU 23 HA LEU 23 -15.587 27.224 -4.131 153 HB2 LEU 23 HB2 LEU 23 -14.970 24.601 -4.744 154 HB3 LEU 23 HB3 LEU 23 -15.683 24.458 -3.157 155 HG LEU 23 HG LEU 23 -17.349 24.331 -4.904 156 HD11 LEU 23 HD11 LEU 23 -17.777 27.135 -3.824 157 HD12 LEU 23 HD12 LEU 23 -18.945 25.832 -4.095 158 HD13 LEU 23 HD13 LEU 23 -17.821 25.740 -2.753 159 HD21 LEU 23 HD21 LEU 23 -16.718 25.403 -6.807 160 HD22 LEU 23 HD22 LEU 23 -18.255 26.131 -6.243 161 HD23 LEU 23 HD23 LEU 23 -16.714 27.010 -6.024 162 H GLN 24 H GLN 24 -13.473 25.696 -1.748 163 HA GLN 24 HA GLN 24 -14.842 26.293 0.592 164 HB2 GLN 24 HB2 GLN 24 -12.599 24.977 0.177 165 HB3 GLN 24 HB3 GLN 24 -11.849 26.580 0.401 166 HG2 GLN 24 HG2 GLN 24 -11.648 25.565 2.410 167 HG3 GLN 24 HG3 GLN 24 -12.977 26.722 2.625 168 HE21 GLN 24 HE21 GLN 24 -12.037 23.444 3.109 169 HE22 GLN 24 HE22 GLN 24 -13.649 22.808 3.407 170 H THR 25 H THR 25 -12.401 28.360 -1.098 171 HA THR 25 HA THR 25 -12.449 30.528 0.659 172 HB THR 25 HB THR 25 -10.867 30.045 -1.222 173 HG1 THR 25 HG1 THR 25 -10.655 31.944 -0.117 174 HG21 THR 25 HG21 THR 25 -12.755 31.613 -2.982 175 HG22 THR 25 HG22 THR 25 -11.131 30.992 -3.369 176 HG23 THR 25 HG23 THR 25 -12.434 29.859 -3.050 177 H GLN 26 H GLN 26 -14.410 29.882 -2.176 178 HA GLN 26 HA GLN 26 -16.179 32.058 -1.998 179 HB2 GLN 26 HB2 GLN 26 -15.968 29.525 -3.469 180 HB3 GLN 26 HB3 GLN 26 -17.621 29.813 -3.017 181 HG2 GLN 26 HG2 GLN 26 -17.642 31.986 -4.094 182 HG3 GLN 26 HG3 GLN 26 -15.893 31.899 -4.404 183 HE21 GLN 26 HE22 GLN 26 -15.258 29.713 -5.695 184 HE22 GLN 26 HE21 GLN 26 -16.314 29.442 -7.080 185 H VAL 27 H VAL 27 -16.803 28.768 -0.574 186 HA VAL 27 HA VAL 27 -19.198 29.600 0.617 187 HB VAL 27 HB VAL 27 -19.341 27.733 1.830 188 HG11 VAL 27 HG11 VAL 27 -17.280 26.516 -0.003 189 HG12 VAL 27 HG12 VAL 27 -18.881 25.930 0.427 190 HG13 VAL 27 HG13 VAL 27 -18.706 27.278 -0.729 191 HG21 VAL 27 HG21 VAL 27 -17.558 27.751 3.368 192 HG22 VAL 27 HG22 VAL 27 -17.656 26.174 2.597 193 HG23 VAL 27 HG23 VAL 27 -16.387 27.305 2.099 194 H THR 28 H THR 28 -15.861 29.732 1.771 195 HA THR 28 HA THR 28 -16.412 30.609 4.396 196 HB THR 28 HB THR 28 -13.965 31.278 2.794 197 HG1 THR 28 HG1 THR 28 -14.217 29.033 2.827 198 HG21 THR 28 HG21 THR 28 -14.645 31.186 5.713 199 HG22 THR 28 HG22 THR 28 -12.941 31.067 5.129 200 HG23 THR 28 HG23 THR 28 -13.932 32.508 4.742 201 H GLU 29 H GLU 29 -16.067 32.393 1.312 202 HA GLU 29 HA GLU 29 -16.087 34.869 2.696 203 HB2 GLU 29 HB2 GLU 29 -16.409 34.211 -0.198 204 HB3 GLU 29 HB3 GLU 29 -16.511 35.832 0.462 205 HG2 GLU 29 HG2 GLU 29 -14.353 35.667 1.543 206 HG3 GLU 29 HG3 GLU 29 -14.078 34.086 0.886 207 H ALA 30 H ALA 30 -18.653 32.769 1.310 208 HA ALA 30 HA ALA 30 -20.869 34.509 1.813 209 HB1 ALA 30 HB1 ALA 30 -22.161 32.454 1.881 210 HB2 ALA 30 HB2 ALA 30 -21.005 32.365 0.521 211 HB3 ALA 30 HB3 ALA 30 -20.703 31.464 2.019 212 H LEU 31 H LEU 31 -19.100 32.194 3.800 213 HA LEU 31 HA LEU 31 -20.382 32.707 6.259 214 HB2 LEU 31 HB2 LEU 31 -18.964 30.722 5.629 215 HB3 LEU 31 HB3 LEU 31 -17.579 31.789 5.680 216 HG LEU 31 HG LEU 31 -18.300 32.311 8.140 217 HD11 LEU 31 HD11 LEU 31 -19.567 29.595 7.782 218 HD12 LEU 31 HD12 LEU 31 -19.580 30.667 9.220 219 HD13 LEU 31 HD13 LEU 31 -20.533 31.080 7.771 220 HD21 LEU 31 HD21 LEU 31 -16.972 30.462 8.859 221 HD22 LEU 31 HD22 LEU 31 -17.114 29.705 7.199 222 HD23 LEU 31 HD23 LEU 31 -16.285 31.265 7.432 223 H ASP 32 H ASP 32 -17.562 34.386 4.693 224 HA ASP 32 HA ASP 32 -16.901 36.021 6.855 225 HB2 ASP 32 HB2 ASP 32 -15.507 36.000 4.925 226 HB3 ASP 32 HB3 ASP 32 -16.779 36.541 3.852 227 H LYS 33 H LYS 33 -19.648 36.224 4.615 228 HA LYS 33 HA LYS 33 -20.792 38.558 5.782 229 HB2 LYS 33 HB2 LYS 33 -22.447 36.601 4.357 230 HB3 LYS 33 HB3 LYS 33 -22.492 38.376 4.446 231 HG2 LYS 33 HG2 LYS 33 -20.968 36.512 2.697 232 HG3 LYS 33 HG3 LYS 33 -22.015 37.824 2.237 233 HD2 LYS 33 HD2 LYS 33 -20.244 39.417 3.149 234 HD3 LYS 33 HD3 LYS 33 -19.147 38.005 3.252 235 HE2 LYS 33 HE2 LYS 33 -19.487 37.480 0.912 236 HE3 LYS 33 HE3 LYS 33 -20.509 38.919 0.718 237 HZ1 LYS 33 HZ1 LYS 33 -17.659 38.972 1.578 238 HZ2 LYS 33 HZ2 LYS 33 -18.177 39.345 0.071 239 HZ3 LYS 33 HZ3 LYS 33 -18.594 40.287 1.337 240 H LEU 34 H LEU 34 -21.344 35.054 6.185 241 HA LEU 34 HA LEU 34 -23.453 35.358 8.005 242 HB2 LEU 34 HB2 LEU 34 -22.540 33.411 6.524 243 HB3 LEU 34 HB3 LEU 34 -21.983 32.791 8.100 244 HG LEU 34 HG LEU 34 -24.830 33.656 7.401 245 HD11 LEU 34 HD11 LEU 34 -24.079 31.897 6.051 246 HD12 LEU 34 HD12 LEU 34 -23.638 30.907 7.472 247 HD13 LEU 34 HD13 LEU 34 -25.346 31.340 7.143 248 HD21 LEU 34 HD21 LEU 34 -24.383 33.361 9.858 249 HD22 LEU 34 HD22 LEU 34 -25.730 32.443 9.134 250 HD23 LEU 34 HD23 LEU 34 -24.164 31.650 9.565 251 H ALA 35 H ALA 35 -20.041 35.433 8.513 252 HA ALA 35 HA ALA 35 -20.139 35.260 11.400 253 HB1 ALA 35 HB1 ALA 35 -17.740 35.688 11.194 254 HB2 ALA 35 HB2 ALA 35 -18.268 34.411 10.066 255 HB3 ALA 35 HB3 ALA 35 -17.936 36.050 9.459 256 H ALA 36 H ALA 36 -20.600 37.737 8.944 257 HA ALA 36 HA ALA 36 -20.183 40.089 10.595 258 HB1 ALA 36 HB1 ALA 36 -21.318 39.845 7.759 259 HB2 ALA 36 HB2 ALA 36 -20.806 41.318 8.590 260 HB3 ALA 36 HB3 ALA 36 -19.616 40.072 8.200 261 H LYS 37 H LYS 37 -23.083 38.673 9.086 262 HA LYS 37 HA LYS 37 -24.930 39.991 11.087 263 HB2 LYS 37 HB2 LYS 37 -24.637 41.146 8.682 264 HB3 LYS 37 HB3 LYS 37 -25.413 39.696 8.142 265 HG2 LYS 37 HG2 LYS 37 -27.401 40.373 9.632 266 HG3 LYS 37 HG3 LYS 37 -26.503 41.868 9.980 267 HD2 LYS 37 HD2 LYS 37 -26.344 42.321 7.514 268 HD3 LYS 37 HD3 LYS 37 -27.196 40.805 7.199 269 HE2 LYS 37 HE2 LYS 37 -28.727 42.545 6.951 270 HE3 LYS 37 HE3 LYS 37 -29.168 41.658 8.420 271 HZ1 LYS 37 HZ1 LYS 37 -29.288 44.081 8.741 272 HZ2 LYS 37 HZ2 LYS 37 -28.142 43.459 9.718 273 HZ3 LYS 37 HZ3 LYS 37 -27.715 44.260 8.355 274 HA PRO 38 HA PRO 38 -24.634 35.451 9.927 275 HB2 PRO 38 HB2 PRO 38 -25.824 34.677 12.530 276 HB3 PRO 38 HB3 PRO 38 -24.347 34.160 11.687 277 HG2 PRO 38 HG2 PRO 38 -24.682 36.301 13.674 278 HG3 PRO 38 HG3 PRO 38 -23.154 35.640 13.023 279 HD2 PRO 38 HD2 PRO 38 -24.183 38.171 12.464 280 HD3 PRO 38 HD3 PRO 38 -23.025 37.316 11.409 281 H SER 39 H SER 39 -27.766 35.368 11.672 282 HA SER 39 HA SER 39 -28.509 33.580 9.591 283 HB2 SER 39 HB2 SER 39 -30.526 33.201 10.804 284 HB3 SER 39 HB3 SER 39 -29.084 33.025 11.782 285 HG SER 39 HG SER 39 -30.736 34.239 12.882 286 H ASP 40 H ASP 40 -28.277 36.701 9.190 287 HA ASP 40 HA ASP 40 -30.588 37.681 7.901 288 HB2 ASP 40 HB2 ASP 40 -28.653 39.086 8.126 289 HB3 ASP 40 HB3 ASP 40 -27.680 38.018 7.174 290 HA PRO 41 HA PRO 41 -30.717 33.937 5.565 291 HB2 PRO 41 HB2 PRO 41 -33.104 34.233 4.207 292 HB3 PRO 41 HB3 PRO 41 -32.959 33.817 5.952 293 HG2 PRO 41 HG2 PRO 41 -33.387 36.546 4.630 294 HG3 PRO 41 HG3 PRO 41 -34.322 35.845 6.004 295 HD2 PRO 41 HD2 PRO 41 -32.302 37.596 6.405 296 HD3 PRO 41 HD3 PRO 41 -32.565 36.212 7.512 297 H ALA 42 H ALA 42 -30.901 37.062 3.911 298 HA ALA 42 HA ALA 42 -30.623 36.039 1.291 299 HB1 ALA 42 HB1 ALA 42 -31.424 38.264 1.940 300 HB2 ALA 42 HB2 ALA 42 -29.788 38.711 2.471 301 HB3 ALA 42 HB3 ALA 42 -30.093 38.358 0.750 302 H LEU 43 H LEU 43 -28.106 37.027 3.719 303 HA LEU 43 HA LEU 43 -25.948 35.980 2.042 304 HB2 LEU 43 HB2 LEU 43 -24.505 36.790 3.665 305 HB3 LEU 43 HB3 LEU 43 -25.780 37.997 3.510 306 HG LEU 43 HG LEU 43 -26.761 36.757 5.622 307 HD11 LEU 43 HD11 LEU 43 -24.883 34.941 5.556 308 HD12 LEU 43 HD12 LEU 43 -23.835 36.283 5.892 309 HD13 LEU 43 HD13 LEU 43 -25.125 35.868 7.062 310 HD21 LEU 43 HD21 LEU 43 -24.254 38.455 5.723 311 HD22 LEU 43 HD22 LEU 43 -25.961 38.993 5.916 312 HD23 LEU 43 HD23 LEU 43 -25.177 37.950 7.151 313 H LEU 44 H LEU 44 -27.628 34.774 5.013 314 HA LEU 44 HA LEU 44 -25.946 32.436 5.313 315 HB2 LEU 44 HB2 LEU 44 -27.008 32.784 7.234 316 HB3 LEU 44 HB3 LEU 44 -28.347 33.538 6.586 317 HG LEU 44 HG LEU 44 -29.109 31.746 7.782 318 HD11 LEU 44 HD11 LEU 44 -30.133 31.865 5.351 319 HD12 LEU 44 HD12 LEU 44 -29.291 30.304 5.134 320 HD13 LEU 44 HD13 LEU 44 -30.493 30.485 6.407 321 HD21 LEU 44 HD21 LEU 44 -27.189 30.448 8.015 322 HD22 LEU 44 HD22 LEU 44 -28.488 29.417 7.406 323 HD23 LEU 44 HD23 LEU 44 -27.221 29.945 6.261 324 H ALA 45 H ALA 45 -28.921 32.969 3.290 325 HA ALA 45 HA ALA 45 -28.810 30.229 2.705 326 HB1 ALA 45 HB1 ALA 45 -30.317 32.377 1.140 327 HB2 ALA 45 HB2 ALA 45 -30.590 30.624 1.032 328 HB3 ALA 45 HB3 ALA 45 -30.943 31.473 2.547 329 H ALA 46 H ALA 46 -27.243 33.024 1.237 330 HA ALA 46 HA ALA 46 -26.291 31.689 -1.097 331 HB1 ALA 46 HB1 ALA 46 -25.083 34.025 0.446 332 HB2 ALA 46 HB2 ALA 46 -24.666 33.484 -1.203 333 HB3 ALA 46 HB3 ALA 46 -26.285 34.134 -0.865 334 H TYR 47 H TYR 47 -25.087 31.946 2.280 335 HA TYR 47 HA TYR 47 -22.681 30.463 2.005 336 HB2 TYR 47 HB2 TYR 47 -23.435 31.758 4.048 337 HB3 TYR 47 HB3 TYR 47 -24.643 30.632 4.257 338 HD1 TYR 47 HD1 TYR 47 -20.927 30.295 3.834 339 HD2 TYR 47 HD2 TYR 47 -24.521 28.910 5.760 340 HE1 TYR 47 HE1 TYR 47 -19.614 28.557 5.034 341 HE2 TYR 47 HE2 TYR 47 -23.201 27.221 7.011 342 HH TYR 47 HH TYR 47 -21.130 26.297 7.364 343 H GLN 48 H GLN 48 -25.897 29.381 3.013 344 HA GLN 48 HA GLN 48 -25.076 26.748 3.084 345 HB2 GLN 48 HB2 GLN 48 -27.234 26.110 3.697 346 HB3 GLN 48 HB3 GLN 48 -26.924 27.725 4.298 347 HG2 GLN 48 HG2 GLN 48 -28.981 28.020 3.545 348 HG3 GLN 48 HG3 GLN 48 -28.046 28.463 2.123 349 HE21 GLN 48 HE22 GLN 48 -29.076 27.830 0.266 350 HE22 GLN 48 HE21 GLN 48 -29.860 26.267 0.072 351 H SER 49 H SER 49 -26.214 28.642 0.439 352 HA SER 49 HA SER 49 -26.532 26.624 -1.523 353 HB2 SER 49 HB2 SER 49 -27.081 29.191 -1.777 354 HB3 SER 49 HB3 SER 49 -25.357 29.420 -2.133 355 HG SER 49 HG SER 49 -26.696 29.090 -4.005 356 H LYS 50 H LYS 50 -23.703 28.664 -0.708 357 HA LYS 50 HA LYS 50 -21.943 27.435 -2.539 358 HB2 LYS 50 HB2 LYS 50 -21.430 29.170 -0.038 359 HB3 LYS 50 HB3 LYS 50 -20.198 28.682 -1.182 360 HG2 LYS 50 HG2 LYS 50 -22.543 29.842 -2.575 361 HG3 LYS 50 HG3 LYS 50 -21.793 30.931 -1.420 362 HD2 LYS 50 HD2 LYS 50 -20.836 31.262 -3.541 363 HD3 LYS 50 HD3 LYS 50 -19.633 30.593 -2.399 364 HE2 LYS 50 HE2 LYS 50 -19.121 29.014 -3.899 365 HE3 LYS 50 HE3 LYS 50 -20.691 28.334 -3.599 366 HZ1 LYS 50 HZ1 LYS 50 -21.514 29.879 -5.441 367 HZ2 LYS 50 HZ2 LYS 50 -19.945 30.285 -5.734 368 HZ3 LYS 50 HZ3 LYS 50 -20.440 28.762 -5.976 369 H LEU 51 H LEU 51 -22.563 26.723 0.802 370 HA LEU 51 HA LEU 51 -20.760 24.641 1.427 371 HB2 LEU 51 HB2 LEU 51 -21.993 25.726 3.064 372 HB3 LEU 51 HB3 LEU 51 -23.460 25.739 2.140 373 HG LEU 51 HG LEU 51 -22.475 23.453 3.830 374 HD11 LEU 51 HD11 LEU 51 -24.142 24.183 5.334 375 HD12 LEU 51 HD12 LEU 51 -23.572 25.742 4.690 376 HD13 LEU 51 HD13 LEU 51 -25.075 25.026 4.092 377 HD21 LEU 51 HD21 LEU 51 -24.843 22.564 3.426 378 HD22 LEU 51 HD22 LEU 51 -24.962 23.682 2.058 379 HD23 LEU 51 HD23 LEU 51 -23.755 22.372 2.055 380 H SER 52 H SER 52 -23.832 24.554 -0.404 381 HA SER 52 HA SER 52 -23.559 21.739 -0.992 382 HB2 SER 52 HB2 SER 52 -25.330 23.776 -2.373 383 HB3 SER 52 HB3 SER 52 -25.430 22.013 -2.430 384 HG SER 52 HG SER 52 -25.935 23.708 -0.195 385 H GLU 53 H GLU 53 -22.922 24.784 -2.806 386 HA GLU 53 HA GLU 53 -22.227 23.667 -5.260 387 HB2 GLU 53 HB2 GLU 53 -21.049 26.058 -3.943 388 HB3 GLU 53 HB3 GLU 53 -20.707 25.476 -5.581 389 HG2 GLU 53 HG2 GLU 53 -23.194 26.811 -4.642 390 HG3 GLU 53 HG3 GLU 53 -21.876 27.328 -5.732 391 H TYR 54 H TYR 54 -20.314 24.032 -2.310 392 HA TYR 54 HA TYR 54 -17.834 23.176 -3.395 393 HB2 TYR 54 HB2 TYR 54 -17.290 24.202 -1.495 394 HB3 TYR 54 HB3 TYR 54 -18.869 24.033 -0.835 395 HD1 TYR 54 HD2 TYR 54 -15.703 22.254 -1.552 396 HD2 TYR 54 HD1 TYR 54 -19.172 22.522 0.992 397 HE1 TYR 54 HE2 TYR 54 -14.752 20.550 -0.114 398 HE2 TYR 54 HE1 TYR 54 -18.246 20.804 2.471 399 HH TYR 54 HH TYR 54 -15.023 19.262 1.834 400 H ASN 55 H ASN 55 -20.504 21.349 -1.900 401 HA ASN 55 HA ASN 55 -19.184 18.854 -2.203 402 HB2 ASN 55 HB2 ASN 55 -21.540 19.705 -0.985 403 HB3 ASN 55 HB3 ASN 55 -22.074 18.713 -2.349 404 HD21 ASN 55 HD22 ASN 55 -19.968 18.691 0.538 405 HD22 ASN 55 HD21 ASN 55 -20.033 16.946 0.733 406 H LEU 56 H LEU 56 -21.140 20.875 -4.410 407 HA LEU 56 HA LEU 56 -21.245 19.013 -6.604 408 HB2 LEU 56 HB2 LEU 56 -21.660 21.943 -6.189 409 HB3 LEU 56 HB3 LEU 56 -21.415 21.423 -7.821 410 HG LEU 56 HG LEU 56 -23.434 20.310 -7.956 411 HD11 LEU 56 HD11 LEU 56 -24.950 19.772 -6.095 412 HD12 LEU 56 HD12 LEU 56 -23.421 18.902 -5.936 413 HD13 LEU 56 HD13 LEU 56 -23.739 20.328 -4.926 414 HD21 LEU 56 HD21 LEU 56 -23.537 22.819 -7.668 415 HD22 LEU 56 HD22 LEU 56 -25.049 21.981 -7.232 416 HD23 LEU 56 HD23 LEU 56 -23.939 22.571 -5.971 417 H TYR 57 H TYR 57 -18.819 21.512 -5.659 418 HA TYR 57 HA TYR 57 -17.070 21.088 -7.814 419 HB2 TYR 57 HB2 TYR 57 -16.372 22.832 -6.560 420 HB3 TYR 57 HB3 TYR 57 -16.614 22.037 -5.028 421 HD1 TYR 57 HD1 TYR 57 -14.285 22.479 -7.864 422 HD2 TYR 57 HD2 TYR 57 -15.091 20.224 -4.284 423 HE1 TYR 57 HE1 TYR 57 -12.089 21.314 -8.092 424 HE2 TYR 57 HE2 TYR 57 -12.974 18.982 -4.563 425 HH TYR 57 HH TYR 57 -11.109 18.695 -5.863 426 H ARG 58 H ARG 58 -17.522 19.305 -4.803 427 HA ARG 58 HA ARG 58 -15.689 17.200 -5.165 428 HB2 ARG 58 HB2 ARG 58 -17.530 18.110 -3.225 429 HB3 ARG 58 HB3 ARG 58 -18.197 16.563 -3.659 430 HG2 ARG 58 HG2 ARG 58 -16.801 16.375 -1.745 431 HG3 ARG 58 HG3 ARG 58 -16.038 15.490 -3.086 432 HD2 ARG 58 HD2 ARG 58 -15.010 18.173 -3.150 433 HD3 ARG 58 HD3 ARG 58 -14.997 17.700 -1.465 434 HE ARG 58 HE ARG 58 -13.343 16.620 -3.651 435 HH11 ARG 58 HH21 ARG 58 -14.449 15.857 -0.401 436 HH12 ARG 58 HH22 ARG 58 -13.118 14.763 -0.141 437 HH21 ARG 58 HH12 ARG 58 -11.702 15.369 -3.226 438 HH22 ARG 58 HH11 ARG 58 -11.565 14.494 -1.714 439 H ASN 59 H ASN 59 -19.079 17.441 -6.121 440 HA ASN 59 HA ASN 59 -19.335 14.868 -7.249 441 HB2 ASN 59 HB2 ASN 59 -21.223 16.536 -6.628 442 HB3 ASN 59 HB3 ASN 59 -20.840 17.363 -8.130 443 HD21 ASN 59 HD22 ASN 59 -22.696 16.931 -9.330 444 HD22 ASN 59 HD21 ASN 59 -23.214 15.295 -9.704 445 H ALA 60 H ALA 60 -18.474 17.976 -8.729 446 HA ALA 60 HA ALA 60 -18.017 17.105 -11.373 447 HB1 ALA 60 HB1 ALA 60 -16.843 19.239 -11.606 448 HB2 ALA 60 HB2 ALA 60 -18.329 19.457 -10.646 449 HB3 ALA 60 HB3 ALA 60 -16.752 19.414 -9.841 450 H GLN 61 H GLN 61 -15.856 17.253 -8.542 451 HA GLN 61 HA GLN 61 -13.649 15.947 -9.760 452 HB2 GLN 61 HB2 GLN 61 -13.505 17.506 -7.977 453 HB3 GLN 61 HB3 GLN 61 -14.324 16.362 -6.885 454 HG2 GLN 61 HG2 GLN 61 -12.042 15.005 -8.105 455 HG3 GLN 61 HG3 GLN 61 -11.487 16.573 -7.540 456 HE21 GLN 61 HE22 GLN 61 -12.832 13.483 -6.541 457 HE22 GLN 61 HE21 GLN 61 -12.533 13.690 -4.815 458 H SER 62 H SER 62 -16.352 14.653 -9.745 459 HA SER 62 HA SER 62 -15.270 11.955 -9.709 460 HB2 SER 62 HB2 SER 62 -16.704 12.454 -7.635 461 HB3 SER 62 HB3 SER 62 -18.077 12.504 -8.755 462 HG SER 62 HG SER 62 -17.695 10.387 -7.810 463 H ASN 63 H ASN 63 -16.038 14.248 -11.567 464 HA ASN 63 HA ASN 63 -17.446 12.700 -13.592 465 HB2 ASN 63 HB2 ASN 63 -18.483 14.886 -12.466 466 HB3 ASN 63 HB3 ASN 63 -17.376 15.737 -13.504 467 HD21 ASN 63 HD22 ASN 63 -19.264 16.710 -14.548 468 HD22 ASN 63 HD21 ASN 63 -20.119 15.774 -15.764 469 H THR 64 H THR 64 -15.159 15.356 -13.121 470 HA THR 64 HA THR 64 -13.662 15.320 -15.425 471 HB THR 64 HB THR 64 -13.471 16.874 -13.647 472 HG1 THR 64 HG1 THR 64 -11.266 17.140 -13.686 473 HG21 THR 64 HG21 THR 64 -13.586 15.114 -11.782 474 HG22 THR 64 HG22 THR 64 -11.818 14.982 -11.985 475 HG23 THR 64 HG23 THR 64 -12.553 16.541 -11.551 476 H VAL 65 H VAL 65 -13.218 13.355 -12.667 477 HA VAL 65 HA VAL 65 -11.199 11.569 -13.204 478 HB VAL 65 HB VAL 65 -13.825 10.812 -11.889 479 HG11 VAL 65 HG11 VAL 65 -11.781 9.241 -11.746 480 HG12 VAL 65 HG12 VAL 65 -10.934 10.574 -10.906 481 HG13 VAL 65 HG13 VAL 65 -12.346 9.816 -10.160 482 HG21 VAL 65 HG21 VAL 65 -11.975 12.883 -10.773 483 HG22 VAL 65 HG22 VAL 65 -13.745 12.944 -11.094 484 HG23 VAL 65 HG23 VAL 65 -13.121 11.923 -9.808 485 H LYS 66 H LYS 66 -14.380 11.609 -14.584 486 HA LYS 66 HA LYS 66 -14.097 9.088 -16.063 487 HB2 LYS 66 HB2 LYS 66 -16.437 10.607 -14.835 488 HB3 LYS 66 HB3 LYS 66 -16.706 9.468 -16.146 489 HG2 LYS 66 HG2 LYS 66 -17.219 8.264 -14.278 490 HG3 LYS 66 HG3 LYS 66 -15.612 7.670 -14.691 491 HD2 LYS 66 HD2 LYS 66 -14.623 8.716 -12.812 492 HD3 LYS 66 HD3 LYS 66 -15.920 9.922 -12.691 493 HE2 LYS 66 HE2 LYS 66 -17.505 8.026 -12.097 494 HE3 LYS 66 HE3 LYS 66 -16.093 6.971 -11.973 495 HZ1 LYS 66 HZ1 LYS 66 -16.618 9.404 -10.322 496 HZ2 LYS 66 HZ2 LYS 66 -16.696 7.866 -9.813 497 HZ3 LYS 66 HZ3 LYS 66 -15.251 8.494 -10.221 498 H VAL 67 H VAL 67 -13.554 12.230 -16.519 499 HA VAL 67 HA VAL 67 -14.429 12.374 -19.300 500 HB VAL 67 HB VAL 67 -13.741 14.326 -17.150 501 HG11 VAL 67 HG11 VAL 67 -13.890 16.193 -18.691 502 HG12 VAL 67 HG12 VAL 67 -12.434 15.215 -18.886 503 HG13 VAL 67 HG13 VAL 67 -13.766 15.026 -20.068 504 HG21 VAL 67 HG21 VAL 67 -16.014 13.382 -17.562 505 HG22 VAL 67 HG22 VAL 67 -15.899 15.161 -17.555 506 HG23 VAL 67 HG23 VAL 67 -16.025 14.248 -19.106 507 H PHE 68 H PHE 68 -11.558 12.520 -17.193 508 HA PHE 68 HA PHE 68 -9.632 12.769 -19.227 509 HB2 PHE 68 HB2 PHE 68 -9.737 11.434 -16.516 510 HB3 PHE 68 HB3 PHE 68 -8.273 11.317 -17.513 511 HD1 PHE 68 HD1 PHE 68 -7.515 13.718 -18.573 512 HD2 PHE 68 HD2 PHE 68 -9.738 13.158 -14.920 513 HE1 PHE 68 HE1 PHE 68 -6.854 15.988 -17.817 514 HE2 PHE 68 HE2 PHE 68 -9.134 15.447 -14.196 515 HZ PHE 68 HZ PHE 68 -7.674 16.866 -15.638 516 H LYS 69 H LYS 69 -11.561 10.074 -18.153 517 HA LYS 69 HA LYS 69 -10.799 7.923 -19.767 518 HB2 LYS 69 HB2 LYS 69 -12.475 7.749 -17.950 519 HB3 LYS 69 HB3 LYS 69 -13.415 9.029 -18.646 520 HG2 LYS 69 HG2 LYS 69 -13.158 6.592 -20.356 521 HG3 LYS 69 HG3 LYS 69 -14.104 6.434 -18.882 522 HD2 LYS 69 HD2 LYS 69 -15.737 7.954 -19.523 523 HD3 LYS 69 HD3 LYS 69 -14.691 8.837 -20.617 524 HE2 LYS 69 HE2 LYS 69 -14.661 6.861 -22.163 525 HE3 LYS 69 HE3 LYS 69 -15.835 6.063 -21.105 526 HZ1 LYS 69 HZ1 LYS 69 -16.275 8.652 -22.539 527 HZ2 LYS 69 HZ2 LYS 69 -16.947 7.215 -22.929 528 HZ3 LYS 69 HZ3 LYS 69 -17.354 7.947 -21.529 529 H ASP 70 H ASP 70 -12.687 10.792 -20.621 530 HA ASP 70 HA ASP 70 -13.458 9.795 -23.197 531 HB2 ASP 70 HB2 ASP 70 -14.628 11.547 -21.482 532 HB3 ASP 70 HB3 ASP 70 -13.871 12.661 -22.623 533 H ILE 71 H ILE 71 -10.969 11.953 -21.973 534 HA ILE 71 HA ILE 71 -9.967 12.624 -24.546 535 HB ILE 71 HB ILE 71 -8.678 12.493 -21.782 536 HG12 ILE 71 HG12 ILE 71 -8.244 14.947 -22.256 537 HG13 ILE 71 HG13 ILE 71 -9.242 14.792 -23.709 538 HG21 ILE 71 HG21 ILE 71 -7.181 13.084 -24.358 539 HG22 ILE 71 HG22 ILE 71 -6.582 13.455 -22.725 540 HG23 ILE 71 HG23 ILE 71 -6.861 11.781 -23.180 541 HD11 ILE 71 HD11 ILE 71 -10.422 15.665 -21.630 542 HD12 ILE 71 HD12 ILE 71 -11.183 14.227 -22.342 543 HD13 ILE 71 HD13 ILE 71 -10.151 14.061 -20.903 544 H ASP 72 H ASP 72 -9.282 10.006 -22.267 545 HA ASP 72 HA ASP 72 -7.482 8.614 -23.879 546 HB2 ASP 72 HB2 ASP 72 -7.668 8.425 -21.531 547 HB3 ASP 72 HB3 ASP 72 -9.328 7.886 -21.646 548 H ALA 73 H ALA 73 -11.024 8.424 -23.855 549 HA ALA 73 HA ALA 73 -11.252 6.379 -25.831 550 HB1 ALA 73 HB1 ALA 73 -13.551 7.193 -26.094 551 HB2 ALA 73 HB2 ALA 73 -13.117 7.124 -24.375 552 HB3 ALA 73 HB3 ALA 73 -13.158 8.687 -25.225 553 H ALA 74 H ALA 74 -10.702 9.939 -26.136 554 HA ALA 74 HA ALA 74 -10.839 10.017 -28.973 555 HB1 ALA 74 HB1 ALA 74 -10.934 12.002 -27.408 556 HB2 ALA 74 HB2 ALA 74 -9.180 11.829 -27.186 557 HB3 ALA 74 HB3 ALA 74 -9.829 12.182 -28.789 558 H ILE 75 H ILE 75 -8.158 9.418 -26.720 559 HA ILE 75 HA ILE 75 -6.021 8.881 -28.502 560 HB ILE 75 HB ILE 75 -6.764 8.096 -25.736 561 HG12 ILE 75 HG12 ILE 75 -5.154 9.466 -24.962 562 HG13 ILE 75 HG13 ILE 75 -4.137 9.206 -26.349 563 HG21 ILE 75 HG21 ILE 75 -5.726 6.039 -26.416 564 HG22 ILE 75 HG22 ILE 75 -4.372 6.923 -27.164 565 HG23 ILE 75 HG23 ILE 75 -4.604 6.936 -25.402 566 HD11 ILE 75 HD11 ILE 75 -6.485 11.113 -26.323 567 HD12 ILE 75 HD12 ILE 75 -4.780 11.535 -26.171 568 HD13 ILE 75 HD13 ILE 75 -5.374 10.838 -27.682 569 H LEU 76 H LEU 76 -8.598 6.740 -27.238 570 HA LEU 76 HA LEU 76 -7.958 4.343 -28.571 571 HB2 LEU 76 HB2 LEU 76 -9.865 5.196 -26.804 572 HB3 LEU 76 HB3 LEU 76 -10.843 5.112 -28.265 573 HG LEU 76 HG LEU 76 -10.058 2.719 -28.480 574 HD11 LEU 76 HD11 LEU 76 -9.276 1.653 -26.350 575 HD12 LEU 76 HD12 LEU 76 -8.097 2.832 -26.943 576 HD13 LEU 76 HD13 LEU 76 -9.183 3.271 -25.607 577 HD21 LEU 76 HD21 LEU 76 -12.290 3.320 -27.646 578 HD22 LEU 76 HD22 LEU 76 -11.661 1.910 -26.781 579 HD23 LEU 76 HD23 LEU 76 -11.641 3.509 -26.002 580 H GLU 77 H GLU 77 -10.141 6.986 -29.696 581 HA GLU 77 HA GLU 77 -10.539 5.995 -32.313 582 HB2 GLU 77 HB2 GLU 77 -10.729 8.763 -31.142 583 HB3 GLU 77 HB3 GLU 77 -11.067 8.428 -32.840 584 HG2 GLU 77 HG2 GLU 77 -12.468 7.048 -30.506 585 HG3 GLU 77 HG3 GLU 77 -13.078 8.435 -31.388 586 H HIS 78 H HIS 78 -7.895 8.037 -31.010 587 HA HIS 78 HA HIS 78 -6.654 8.657 -33.484 588 HB2 HIS 78 HB2 HIS 78 -6.209 9.613 -31.133 589 HB3 HIS 78 HB3 HIS 78 -5.168 8.221 -30.875 590 HD1 HIS 78 HD1 HIS 78 -3.863 8.334 -33.924 591 HD2 HIS 78 HD2 HIS 78 -4.246 11.389 -31.053 592 HE1 HIS 78 HE1 HIS 78 -2.042 10.050 -34.454 593 H HIS 79 H HIS 79 -6.340 5.748 -31.415 594 HA HIS 79 HA HIS 79 -4.287 4.464 -32.960 595 HB2 HIS 79 HB2 HIS 79 -4.967 3.832 -30.650 596 HB3 HIS 79 HB3 HIS 79 -6.493 3.212 -31.279 597 HD1 HIS 79 HD1 HIS 79 -2.713 2.410 -31.412 598 HD2 HIS 79 HD2 HIS 79 -6.478 0.784 -32.362 599 HE1 HIS 79 HE1 HIS 79 -2.302 -0.030 -32.024 600 H HIS 80 H HIS 80 -7.865 4.468 -33.313 601 HA HIS 80 HA HIS 80 -7.901 2.678 -35.600 602 HB2 HIS 80 HB2 HIS 80 -9.861 3.069 -34.171 603 HB3 HIS 80 HB3 HIS 80 -9.901 4.765 -34.641 604 HD1 HIS 80 HD1 HIS 80 -10.449 1.280 -36.254 605 HD2 HIS 80 HD2 HIS 80 -11.202 5.381 -36.842 606 HE1 HIS 80 HE1 HIS 80 -12.016 1.438 -38.259 607 H HIS 81 H HIS 81 -7.744 6.237 -35.260 608 HA HIS 81 HA HIS 81 -7.862 6.934 -37.994 609 HB2 HIS 81 HB2 HIS 81 -8.162 8.403 -35.971 610 HB3 HIS 81 HB3 HIS 81 -6.413 8.386 -35.753 611 HD1 HIS 81 HD1 HIS 81 -9.045 9.643 -38.307 612 HD2 HIS 81 HD2 HIS 81 -5.040 10.167 -37.121 613 HE1 HIS 81 HE1 HIS 81 -8.182 11.672 -39.586 614 H HIS 82 H HIS 82 -5.243 5.368 -36.366 615 HA HIS 82 HA HIS 82 -3.045 6.168 -38.014 616 HB2 HIS 82 HB2 HIS 82 -2.990 4.933 -35.808 617 HB3 HIS 82 HB3 HIS 82 -3.534 3.489 -36.664 618 HD1 HIS 82 HD1 HIS 82 -1.627 2.085 -37.847 619 HD2 HIS 82 HD2 HIS 82 -0.485 5.916 -36.529 620 HE1 HIS 82 HE1 HIS 82 0.902 2.213 -38.135 621 H HIS 83 H HIS 83 -5.801 4.155 -38.745 622 HA HIS 83 HA HIS 83 -4.829 2.455 -40.785 623 HB2 HIS 83 HB2 HIS 83 -7.026 2.331 -39.612 624 HB3 HIS 83 HB3 HIS 83 -7.568 3.750 -40.506 625 HD1 HIS 83 HD1 HIS 83 -6.043 2.297 -43.248 626 HD2 HIS 83 HD2 HIS 83 -9.197 1.070 -40.757 627 HE1 HIS 83 HE1 HIS 83 -7.432 0.622 -44.619 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -22.179 5.546 7.413 2 H2 MET 1 H2 MET 1 -20.744 6.159 6.921 3 H3 MET 1 H3 MET 1 -22.074 6.375 5.999 4 HA MET 1 HA MET 1 -20.733 3.821 6.561 5 HB2 MET 1 HB2 MET 1 -22.289 2.716 5.083 6 HB3 MET 1 HB3 MET 1 -23.158 3.480 6.407 7 HG2 MET 1 HG2 MET 1 -23.823 5.341 4.894 8 HG3 MET 1 HG3 MET 1 -22.938 4.574 3.569 9 HE1 MET 1 HE1 MET 1 -24.999 4.706 1.992 10 HE2 MET 1 HE2 MET 1 -26.623 4.130 2.424 11 HE3 MET 1 HE3 MET 1 -25.919 5.519 3.279 12 H ALA 2 H ALA 2 -19.436 2.956 4.922 13 HA ALA 2 HA ALA 2 -19.183 4.209 2.281 14 HB1 ALA 2 HB1 ALA 2 -17.664 5.699 3.800 15 HB2 ALA 2 HB2 ALA 2 -16.765 4.198 4.202 16 HB3 ALA 2 HB3 ALA 2 -16.757 4.785 2.569 17 H THR 3 H THR 3 -17.733 3.368 0.976 18 HA THR 3 HA THR 3 -16.969 0.510 1.290 19 HB THR 3 HB THR 3 -16.124 0.929 -1.006 20 HG1 THR 3 HG1 THR 3 -16.986 2.733 -2.109 21 HG21 THR 3 HG21 THR 3 -18.449 0.909 -2.004 22 HG22 THR 3 HG22 THR 3 -18.349 -0.088 -0.536 23 HG23 THR 3 HG23 THR 3 -19.077 1.543 -0.449 24 HA PRO 4 HA PRO 4 -13.235 1.057 2.759 25 HB2 PRO 4 HB2 PRO 4 -11.958 -0.048 0.276 26 HB3 PRO 4 HB3 PRO 4 -11.570 -0.416 2.006 27 HG2 PRO 4 HG2 PRO 4 -13.297 -2.070 0.701 28 HG3 PRO 4 HG3 PRO 4 -13.760 -1.429 2.329 29 HD2 PRO 4 HD2 PRO 4 -14.754 -0.488 -0.313 30 HD3 PRO 4 HD3 PRO 4 -15.551 -0.818 1.231 31 H TRP 5 H TRP 5 -13.607 3.289 0.307 32 HA TRP 5 HA TRP 5 -11.017 4.568 0.276 33 HB2 TRP 5 HB2 TRP 5 -12.195 6.562 -0.439 34 HB3 TRP 5 HB3 TRP 5 -12.637 5.156 -1.385 35 HD1 TRP 5 HD1 TRP 5 -15.091 4.675 -1.684 36 HE1 TRP 5 HE1 TRP 5 -17.302 5.597 -0.803 37 HE3 TRP 5 HE3 TRP 5 -13.275 7.805 1.959 38 HZ2 TRP 5 HZ2 TRP 5 -18.191 7.458 1.216 39 HZ3 TRP 5 HZ3 TRP 5 -14.846 9.123 3.359 40 HH2 TRP 5 HH2 TRP 5 -17.296 8.961 3.000 41 H SER 6 H SER 6 -13.447 4.338 2.781 42 HA SER 6 HA SER 6 -12.695 6.550 4.399 43 HB2 SER 6 HB2 SER 6 -13.581 5.194 6.267 44 HB3 SER 6 HB3 SER 6 -14.658 5.209 4.858 45 HG SER 6 HG SER 6 -14.346 3.088 5.768 46 H GLY 7 H GLY 7 -10.894 3.612 3.735 47 HA2 GLY 7 HA2 GLY 7 -9.001 3.977 5.974 48 HA3 GLY 7 HA3 GLY 7 -8.980 2.721 4.736 49 H TYR 8 H TYR 8 -9.301 5.453 2.957 50 HA TYR 8 HA TYR 8 -6.447 6.105 2.749 51 HB2 TYR 8 HB2 TYR 8 -8.317 5.271 0.499 52 HB3 TYR 8 HB3 TYR 8 -6.678 5.852 0.264 53 HD1 TYR 8 HD1 TYR 8 -4.716 4.536 1.192 54 HD2 TYR 8 HD2 TYR 8 -8.724 2.948 1.006 55 HE1 TYR 8 HE1 TYR 8 -3.816 2.221 1.440 56 HE2 TYR 8 HE2 TYR 8 -7.827 0.643 1.257 57 HH TYR 8 HH TYR 8 -5.954 -0.657 1.510 58 H LEU 9 H LEU 9 -9.298 7.378 3.396 59 HA LEU 9 HA LEU 9 -10.031 9.215 1.541 60 HB2 LEU 9 HB2 LEU 9 -11.366 8.656 3.496 61 HB3 LEU 9 HB3 LEU 9 -10.164 9.365 4.578 62 HG LEU 9 HG LEU 9 -10.626 11.608 3.633 63 HD11 LEU 9 HD11 LEU 9 -12.921 10.306 2.129 64 HD12 LEU 9 HD12 LEU 9 -12.476 12.039 2.173 65 HD13 LEU 9 HD13 LEU 9 -11.413 10.869 1.395 66 HD21 LEU 9 HD21 LEU 9 -12.860 11.902 4.639 67 HD22 LEU 9 HD22 LEU 9 -13.095 10.139 4.637 68 HD23 LEU 9 HD23 LEU 9 -11.824 10.868 5.641 69 H ASP 10 H ASP 10 -7.667 9.872 4.121 70 HA ASP 10 HA ASP 10 -7.333 12.615 3.280 71 HB2 ASP 10 HB2 ASP 10 -5.798 12.803 5.142 72 HB3 ASP 10 HB3 ASP 10 -7.194 11.873 5.658 73 H ASP 11 H ASP 11 -6.564 10.338 1.449 74 HA ASP 11 HA ASP 11 -4.155 11.666 0.311 75 HB2 ASP 11 HB2 ASP 11 -3.436 9.506 1.277 76 HB3 ASP 11 HB3 ASP 11 -4.675 8.675 0.335 77 H VAL 12 H VAL 12 -6.932 9.559 -0.274 78 HA VAL 12 HA VAL 12 -7.086 10.036 -3.068 79 HB VAL 12 HB VAL 12 -8.952 8.873 -0.937 80 HG11 VAL 12 HG11 VAL 12 -10.472 9.553 -2.664 81 HG12 VAL 12 HG12 VAL 12 -9.424 8.866 -3.939 82 HG13 VAL 12 HG13 VAL 12 -10.254 7.803 -2.777 83 HG21 VAL 12 HG21 VAL 12 -8.237 6.716 -1.881 84 HG22 VAL 12 HG22 VAL 12 -7.296 7.554 -3.141 85 HG23 VAL 12 HG23 VAL 12 -6.810 7.678 -1.441 86 H SER 13 H SER 13 -9.047 11.290 -0.373 87 HA SER 13 HA SER 13 -10.424 13.204 -2.090 88 HB2 SER 13 HB2 SER 13 -11.489 12.325 -0.088 89 HB3 SER 13 HB3 SER 13 -10.221 13.074 0.946 90 HG SER 13 HG SER 13 -10.927 15.115 0.154 91 H ALA 14 H ALA 14 -7.823 13.247 0.359 92 HA ALA 14 HA ALA 14 -7.516 15.937 0.487 93 HB1 ALA 14 HB1 ALA 14 -6.431 14.389 2.012 94 HB2 ALA 14 HB2 ALA 14 -5.258 13.934 0.738 95 HB3 ALA 14 HB3 ALA 14 -5.280 15.584 1.398 96 H LYS 15 H LYS 15 -6.360 14.012 -2.204 97 HA LYS 15 HA LYS 15 -4.570 15.676 -3.517 98 HB2 LYS 15 HB2 LYS 15 -4.942 14.353 -5.331 99 HB3 LYS 15 HB3 LYS 15 -5.585 13.306 -4.053 100 HG2 LYS 15 HG2 LYS 15 -7.892 14.143 -4.611 101 HG3 LYS 15 HG3 LYS 15 -7.211 14.999 -6.001 102 HD2 LYS 15 HD2 LYS 15 -6.963 12.002 -5.519 103 HD3 LYS 15 HD3 LYS 15 -8.178 12.759 -6.560 104 HE2 LYS 15 HE2 LYS 15 -6.371 13.712 -7.980 105 HE3 LYS 15 HE3 LYS 15 -5.156 12.947 -6.948 106 HZ1 LYS 15 HZ1 LYS 15 -6.076 10.780 -7.572 107 HZ2 LYS 15 HZ2 LYS 15 -7.197 11.482 -8.534 108 HZ3 LYS 15 HZ3 LYS 15 -5.612 11.596 -8.904 109 H PHE 16 H PHE 16 -7.953 16.168 -3.061 110 HA PHE 16 HA PHE 16 -8.601 18.079 -5.007 111 HB2 PHE 16 HB2 PHE 16 -10.644 18.146 -3.941 112 HB3 PHE 16 HB3 PHE 16 -10.072 16.527 -3.609 113 HD1 PHE 16 HD2 PHE 16 -8.289 17.515 -1.065 114 HD2 PHE 16 HD1 PHE 16 -12.379 17.955 -2.311 115 HE1 PHE 16 HE2 PHE 16 -8.951 17.817 1.280 116 HE2 PHE 16 HE1 PHE 16 -13.046 18.224 0.066 117 HZ PHE 16 HZ PHE 16 -11.344 18.156 1.865 118 H ASP 17 H ASP 17 -6.965 18.508 -2.066 119 HA ASP 17 HA ASP 17 -7.902 20.622 -0.826 120 HB2 ASP 17 HB2 ASP 17 -6.093 19.204 -0.057 121 HB3 ASP 17 HB3 ASP 17 -4.959 19.978 -1.169 122 H THR 18 H THR 18 -6.103 21.291 -3.803 123 HA THR 18 HA THR 18 -6.196 24.152 -3.152 124 HB THR 18 HB THR 18 -4.076 23.054 -3.919 125 HG1 THR 18 HG1 THR 18 -5.091 25.303 -5.319 126 HG21 THR 18 HG21 THR 18 -3.707 22.816 -6.297 127 HG22 THR 18 HG22 THR 18 -5.080 21.790 -5.826 128 HG23 THR 18 HG23 THR 18 -5.372 23.335 -6.655 129 H GLY 19 H GLY 19 -7.894 21.892 -5.181 130 HA2 GLY 19 HA2 GLY 19 -9.119 24.040 -6.857 131 HA3 GLY 19 HA3 GLY 19 -9.416 22.316 -7.008 132 H VAL 20 H VAL 20 -9.969 21.622 -4.336 133 HA VAL 20 HA VAL 20 -12.621 22.456 -3.837 134 HB VAL 20 HB VAL 20 -11.000 20.566 -2.731 135 HG11 VAL 20 HG11 VAL 20 -9.682 22.104 -1.358 136 HG12 VAL 20 HG12 VAL 20 -11.154 22.529 -0.451 137 HG13 VAL 20 HG13 VAL 20 -10.543 20.866 -0.438 138 HG21 VAL 20 HG21 VAL 20 -13.455 20.506 -2.592 139 HG22 VAL 20 HG22 VAL 20 -12.854 20.388 -0.944 140 HG23 VAL 20 HG23 VAL 20 -13.462 21.932 -1.548 141 H ASP 21 H ASP 21 -9.580 23.818 -2.759 142 HA ASP 21 HA ASP 21 -10.736 25.680 -1.049 143 HB2 ASP 21 HB2 ASP 21 -8.526 25.096 -0.712 144 HB3 ASP 21 HB3 ASP 21 -8.096 25.382 -2.380 145 H ASN 22 H ASN 22 -10.547 25.888 -4.550 146 HA ASN 22 HA ASN 22 -11.134 28.707 -4.588 147 HB2 ASN 22 HB2 ASN 22 -11.766 26.424 -6.561 148 HB3 ASN 22 HB3 ASN 22 -12.020 28.131 -6.911 149 HD21 ASN 22 HD22 ASN 22 -10.156 25.967 -8.090 150 HD22 ASN 22 HD21 ASN 22 -8.595 26.777 -8.109 151 H LEU 23 H LEU 23 -13.010 25.798 -4.075 152 HA LEU 23 HA LEU 23 -15.502 27.246 -4.153 153 HB2 LEU 23 HB2 LEU 23 -14.879 24.590 -4.659 154 HB3 LEU 23 HB3 LEU 23 -15.636 24.520 -3.087 155 HG LEU 23 HG LEU 23 -17.254 24.344 -4.881 156 HD11 LEU 23 HD11 LEU 23 -18.850 25.872 -4.152 157 HD12 LEU 23 HD12 LEU 23 -17.760 25.806 -2.781 158 HD13 LEU 23 HD13 LEU 23 -17.686 27.177 -3.886 159 HD21 LEU 23 HD21 LEU 23 -16.532 26.973 -6.066 160 HD22 LEU 23 HD22 LEU 23 -16.584 25.343 -6.798 161 HD23 LEU 23 HD23 LEU 23 -18.100 26.148 -6.284 162 H GLN 24 H GLN 24 -13.426 25.769 -1.717 163 HA GLN 24 HA GLN 24 -14.785 26.406 0.610 164 HB2 GLN 24 HB2 GLN 24 -12.542 25.085 0.190 165 HB3 GLN 24 HB3 GLN 24 -11.797 26.692 0.418 166 HG2 GLN 24 HG2 GLN 24 -11.645 25.603 2.431 167 HG3 GLN 24 HG3 GLN 24 -12.876 26.874 2.606 168 HE21 GLN 24 HE22 GLN 24 -14.673 26.199 3.782 169 HE22 GLN 24 HE21 GLN 24 -15.257 24.540 3.809 170 H THR 25 H THR 25 -12.352 28.448 -1.134 171 HA THR 25 HA THR 25 -12.389 30.651 0.587 172 HB THR 25 HB THR 25 -10.817 30.144 -1.274 173 HG1 THR 25 HG1 THR 25 -10.387 32.332 -1.574 174 HG21 THR 25 HG21 THR 25 -11.087 30.983 -3.465 175 HG22 THR 25 HG22 THR 25 -12.381 29.859 -3.101 176 HG23 THR 25 HG23 THR 25 -12.717 31.610 -3.110 177 H GLN 26 H GLN 26 -14.354 29.970 -2.231 178 HA GLN 26 HA GLN 26 -16.136 32.139 -2.070 179 HB2 GLN 26 HB2 GLN 26 -15.895 29.579 -3.514 180 HB3 GLN 26 HB3 GLN 26 -17.551 29.875 -3.080 181 HG2 GLN 26 HG2 GLN 26 -17.556 32.037 -4.180 182 HG3 GLN 26 HG3 GLN 26 -15.804 31.939 -4.478 183 HE21 GLN 26 HE21 GLN 26 -15.188 29.701 -5.729 184 HE22 GLN 26 HE22 GLN 26 -16.238 29.432 -7.117 185 H VAL 27 H VAL 27 -16.731 28.853 -0.630 186 HA VAL 27 HA VAL 27 -19.135 29.677 0.555 187 HB VAL 27 HB VAL 27 -19.277 27.801 1.755 188 HG11 VAL 27 HG11 VAL 27 -17.209 26.587 -0.065 189 HG12 VAL 27 HG12 VAL 27 -18.823 26.014 0.341 190 HG13 VAL 27 HG13 VAL 27 -18.623 27.363 -0.811 191 HG21 VAL 27 HG21 VAL 27 -17.583 26.240 2.510 192 HG22 VAL 27 HG22 VAL 27 -16.320 27.389 2.023 193 HG23 VAL 27 HG23 VAL 27 -17.493 27.812 3.295 194 H THR 28 H THR 28 -15.799 29.816 1.717 195 HA THR 28 HA THR 28 -16.369 30.686 4.339 196 HB THR 28 HB THR 28 -13.928 31.389 2.741 197 HG1 THR 28 HG1 THR 28 -14.135 29.152 2.788 198 HG21 THR 28 HG21 THR 28 -14.629 31.312 5.659 199 HG22 THR 28 HG22 THR 28 -12.918 31.215 5.093 200 HG23 THR 28 HG23 THR 28 -13.927 32.638 4.685 201 H GLU 29 H GLU 29 -16.071 32.468 1.251 202 HA GLU 29 HA GLU 29 -16.142 34.941 2.633 203 HB2 GLU 29 HB2 GLU 29 -16.442 34.284 -0.258 204 HB3 GLU 29 HB3 GLU 29 -16.583 35.898 0.408 205 HG2 GLU 29 HG2 GLU 29 -14.417 35.750 1.514 206 HG3 GLU 29 HG3 GLU 29 -14.112 34.196 0.797 207 H ALA 30 H ALA 30 -18.685 32.784 1.290 208 HA ALA 30 HA ALA 30 -20.922 34.508 1.809 209 HB1 ALA 30 HB1 ALA 30 -21.164 32.398 0.515 210 HB2 ALA 30 HB2 ALA 30 -20.656 31.448 1.917 211 HB3 ALA 30 HB3 ALA 30 -22.164 32.348 1.993 212 H LEU 31 H LEU 31 -19.114 32.198 3.764 213 HA LEU 31 HA LEU 31 -20.369 32.699 6.237 214 HB2 LEU 31 HB2 LEU 31 -18.923 30.736 5.583 215 HB3 LEU 31 HB3 LEU 31 -17.556 31.830 5.631 216 HG LEU 31 HG LEU 31 -18.270 32.325 8.097 217 HD11 LEU 31 HD11 LEU 31 -19.510 29.596 7.723 218 HD12 LEU 31 HD12 LEU 31 -19.514 30.649 9.177 219 HD13 LEU 31 HD13 LEU 31 -20.487 31.073 7.745 220 HD21 LEU 31 HD21 LEU 31 -16.244 31.307 7.376 221 HD22 LEU 31 HD22 LEU 31 -16.912 30.481 8.798 222 HD23 LEU 31 HD23 LEU 31 -17.054 29.739 7.133 223 H ASP 32 H ASP 32 -17.600 34.424 4.633 224 HA ASP 32 HA ASP 32 -16.920 36.051 6.792 225 HB2 ASP 32 HB2 ASP 32 -15.561 36.029 4.829 226 HB3 ASP 32 HB3 ASP 32 -16.847 36.613 3.794 227 H LYS 33 H LYS 33 -19.692 36.252 4.590 228 HA LYS 33 HA LYS 33 -20.844 38.575 5.768 229 HB2 LYS 33 HB2 LYS 33 -22.497 36.583 4.382 230 HB3 LYS 33 HB3 LYS 33 -22.571 38.359 4.470 231 HG2 LYS 33 HG2 LYS 33 -21.052 36.510 2.705 232 HG3 LYS 33 HG3 LYS 33 -22.124 37.803 2.253 233 HD2 LYS 33 HD2 LYS 33 -20.358 39.429 3.113 234 HD3 LYS 33 HD3 LYS 33 -19.237 38.034 3.208 235 HE2 LYS 33 HE2 LYS 33 -19.593 37.482 0.886 236 HE3 LYS 33 HE3 LYS 33 -20.682 38.870 0.693 237 HZ1 LYS 33 HZ1 LYS 33 -17.814 39.059 1.467 238 HZ2 LYS 33 HZ2 LYS 33 -18.399 39.396 -0.024 239 HZ3 LYS 33 HZ3 LYS 33 -18.813 40.332 1.248 240 H LEU 34 H LEU 34 -21.352 35.066 6.177 241 HA LEU 34 HA LEU 34 -23.436 35.347 8.031 242 HB2 LEU 34 HB2 LEU 34 -22.547 33.424 6.509 243 HB3 LEU 34 HB3 LEU 34 -21.933 32.792 8.058 244 HG LEU 34 HG LEU 34 -24.808 33.616 7.440 245 HD11 LEU 34 HD11 LEU 34 -23.574 30.878 7.465 246 HD12 LEU 34 HD12 LEU 34 -25.296 31.289 7.190 247 HD13 LEU 34 HD13 LEU 34 -24.073 31.864 6.060 248 HD21 LEU 34 HD21 LEU 34 -24.063 31.606 9.576 249 HD22 LEU 34 HD22 LEU 34 -24.289 33.314 9.883 250 HD23 LEU 34 HD23 LEU 34 -25.646 32.387 9.195 251 H ALA 35 H ALA 35 -20.020 35.436 8.492 252 HA ALA 35 HA ALA 35 -20.075 35.258 11.383 253 HB1 ALA 35 HB1 ALA 35 -17.685 35.693 11.142 254 HB2 ALA 35 HB2 ALA 35 -18.226 34.418 10.016 255 HB3 ALA 35 HB3 ALA 35 -17.907 36.061 9.411 256 H ALA 36 H ALA 36 -20.602 37.730 8.940 257 HA ALA 36 HA ALA 36 -20.187 40.082 10.593 258 HB1 ALA 36 HB1 ALA 36 -21.362 39.842 7.770 259 HB2 ALA 36 HB2 ALA 36 -20.848 41.313 8.603 260 HB3 ALA 36 HB3 ALA 36 -19.656 40.077 8.186 261 H LYS 37 H LYS 37 -23.094 38.641 9.115 262 HA LYS 37 HA LYS 37 -24.922 39.921 11.156 263 HB2 LYS 37 HB2 LYS 37 -24.634 41.082 8.761 264 HB3 LYS 37 HB3 LYS 37 -25.473 39.672 8.224 265 HG2 LYS 37 HG2 LYS 37 -27.383 40.343 9.805 266 HG3 LYS 37 HG3 LYS 37 -26.487 41.853 10.075 267 HD2 LYS 37 HD2 LYS 37 -26.498 42.286 7.612 268 HD3 LYS 37 HD3 LYS 37 -27.350 40.753 7.354 269 HE2 LYS 37 HE2 LYS 37 -29.143 41.642 8.958 270 HE3 LYS 37 HE3 LYS 37 -28.315 43.202 8.884 271 HZ1 LYS 37 HZ1 LYS 37 -30.114 43.120 7.263 272 HZ2 LYS 37 HZ2 LYS 37 -28.705 43.141 6.430 273 HZ3 LYS 37 HZ3 LYS 37 -29.546 41.734 6.608 274 HA PRO 38 HA PRO 38 -24.604 35.399 9.957 275 HB2 PRO 38 HB2 PRO 38 -25.753 34.602 12.574 276 HB3 PRO 38 HB3 PRO 38 -24.279 34.106 11.713 277 HG2 PRO 38 HG2 PRO 38 -24.616 36.233 13.712 278 HG3 PRO 38 HG3 PRO 38 -23.088 35.593 13.040 279 HD2 PRO 38 HD2 PRO 38 -24.154 38.113 12.503 280 HD3 PRO 38 HD3 PRO 38 -23.000 37.276 11.430 281 H SER 39 H SER 39 -27.717 35.295 11.736 282 HA SER 39 HA SER 39 -28.464 33.502 9.655 283 HB2 SER 39 HB2 SER 39 -30.445 33.073 10.901 284 HB3 SER 39 HB3 SER 39 -28.984 32.925 11.855 285 HG SER 39 HG SER 39 -30.645 34.098 12.988 286 H ASP 40 H ASP 40 -28.266 36.618 9.259 287 HA ASP 40 HA ASP 40 -30.623 37.573 8.024 288 HB2 ASP 40 HB2 ASP 40 -28.702 39.021 8.215 289 HB3 ASP 40 HB3 ASP 40 -27.721 37.962 7.268 290 HA PRO 41 HA PRO 41 -30.750 33.828 5.744 291 HB2 PRO 41 HB2 PRO 41 -33.168 34.042 4.427 292 HB3 PRO 41 HB3 PRO 41 -32.979 33.687 6.179 293 HG2 PRO 41 HG2 PRO 41 -33.459 36.372 4.788 294 HG3 PRO 41 HG3 PRO 41 -34.366 35.698 6.195 295 HD2 PRO 41 HD2 PRO 41 -32.356 37.477 6.523 296 HD3 PRO 41 HD3 PRO 41 -32.586 36.117 7.666 297 H ALA 42 H ALA 42 -30.907 36.886 4.007 298 HA ALA 42 HA ALA 42 -30.669 35.709 1.426 299 HB1 ALA 42 HB1 ALA 42 -31.594 37.940 1.932 300 HB2 ALA 42 HB2 ALA 42 -29.985 38.502 2.434 301 HB3 ALA 42 HB3 ALA 42 -30.270 38.034 0.738 302 H LEU 43 H LEU 43 -28.194 36.937 3.793 303 HA LEU 43 HA LEU 43 -25.999 35.966 2.109 304 HB2 LEU 43 HB2 LEU 43 -24.576 36.819 3.726 305 HB3 LEU 43 HB3 LEU 43 -25.878 37.992 3.580 306 HG LEU 43 HG LEU 43 -26.812 36.728 5.706 307 HD11 LEU 43 HD11 LEU 43 -25.136 35.867 7.131 308 HD12 LEU 43 HD12 LEU 43 -24.905 34.941 5.630 309 HD13 LEU 43 HD13 LEU 43 -23.871 36.298 5.940 310 HD21 LEU 43 HD21 LEU 43 -24.319 38.459 5.787 311 HD22 LEU 43 HD22 LEU 43 -26.032 38.980 6.006 312 HD23 LEU 43 HD23 LEU 43 -25.220 37.939 7.222 313 H LEU 44 H LEU 44 -27.668 34.749 5.073 314 HA LEU 44 HA LEU 44 -25.920 32.456 5.382 315 HB2 LEU 44 HB2 LEU 44 -26.959 32.727 7.314 316 HB3 LEU 44 HB3 LEU 44 -28.310 33.495 6.711 317 HG LEU 44 HG LEU 44 -29.035 31.670 7.887 318 HD11 LEU 44 HD11 LEU 44 -29.279 30.331 5.197 319 HD12 LEU 44 HD12 LEU 44 -30.454 30.456 6.505 320 HD13 LEU 44 HD13 LEU 44 -30.112 31.869 5.491 321 HD21 LEU 44 HD21 LEU 44 -27.134 29.948 6.299 322 HD22 LEU 44 HD22 LEU 44 -27.155 30.354 8.077 323 HD23 LEU 44 HD23 LEU 44 -28.416 29.328 7.370 324 H ALA 45 H ALA 45 -29.054 32.734 3.459 325 HA ALA 45 HA ALA 45 -28.598 30.014 2.779 326 HB1 ALA 45 HB1 ALA 45 -30.469 30.233 1.251 327 HB2 ALA 45 HB2 ALA 45 -30.805 30.901 2.854 328 HB3 ALA 45 HB3 ALA 45 -30.474 32.011 1.477 329 H ALA 46 H ALA 46 -27.230 32.948 1.440 330 HA ALA 46 HA ALA 46 -26.324 31.724 -0.988 331 HB1 ALA 46 HB1 ALA 46 -26.343 34.163 -0.699 332 HB2 ALA 46 HB2 ALA 46 -25.080 34.031 0.554 333 HB3 ALA 46 HB3 ALA 46 -24.739 33.534 -1.122 334 H TYR 47 H TYR 47 -25.051 31.894 2.379 335 HA TYR 47 HA TYR 47 -22.701 30.331 1.989 336 HB2 TYR 47 HB2 TYR 47 -23.371 31.611 4.118 337 HB3 TYR 47 HB3 TYR 47 -24.494 30.394 4.384 338 HD1 TYR 47 HD1 TYR 47 -20.840 30.178 3.605 339 HD2 TYR 47 HD2 TYR 47 -24.189 28.768 5.903 340 HE1 TYR 47 HE1 TYR 47 -19.376 28.491 4.697 341 HE2 TYR 47 HE2 TYR 47 -22.731 27.105 7.018 342 HH TYR 47 HH TYR 47 -20.617 26.217 7.173 343 H GLN 48 H GLN 48 -25.978 29.396 2.979 344 HA GLN 48 HA GLN 48 -25.644 26.661 2.948 345 HB2 GLN 48 HB2 GLN 48 -28.196 28.032 2.084 346 HB3 GLN 48 HB3 GLN 48 -27.994 26.411 2.690 347 HG2 GLN 48 HG2 GLN 48 -27.632 28.830 4.372 348 HG3 GLN 48 HG3 GLN 48 -29.006 27.836 4.355 349 HE21 GLN 48 HE22 GLN 48 -28.860 25.612 5.254 350 HE22 GLN 48 HE21 GLN 48 -27.525 25.229 6.332 351 H SER 49 H SER 49 -26.176 28.797 0.190 352 HA SER 49 HA SER 49 -26.447 26.742 -1.717 353 HB2 SER 49 HB2 SER 49 -27.016 29.320 -1.965 354 HB3 SER 49 HB3 SER 49 -25.288 29.556 -2.304 355 HG SER 49 HG SER 49 -26.583 29.247 -4.206 356 H LYS 50 H LYS 50 -23.644 28.791 -0.840 357 HA LYS 50 HA LYS 50 -21.852 27.549 -2.637 358 HB2 LYS 50 HB2 LYS 50 -21.379 29.226 -0.092 359 HB3 LYS 50 HB3 LYS 50 -20.130 28.769 -1.234 360 HG2 LYS 50 HG2 LYS 50 -22.461 29.984 -2.617 361 HG3 LYS 50 HG3 LYS 50 -21.706 31.034 -1.436 362 HD2 LYS 50 HD2 LYS 50 -20.737 31.406 -3.547 363 HD3 LYS 50 HD3 LYS 50 -19.544 30.697 -2.421 364 HE2 LYS 50 HE2 LYS 50 -19.053 29.146 -3.964 365 HE3 LYS 50 HE3 LYS 50 -20.623 28.474 -3.667 366 HZ1 LYS 50 HZ1 LYS 50 -19.872 30.455 -5.773 367 HZ2 LYS 50 HZ2 LYS 50 -20.409 28.950 -6.031 368 HZ3 LYS 50 HZ3 LYS 50 -21.447 30.084 -5.463 369 H LEU 51 H LEU 51 -22.614 26.806 0.663 370 HA LEU 51 HA LEU 51 -20.892 24.675 1.345 371 HB2 LEU 51 HB2 LEU 51 -22.339 25.901 2.841 372 HB3 LEU 51 HB3 LEU 51 -23.717 25.685 1.855 373 HG LEU 51 HG LEU 51 -22.520 23.443 3.507 374 HD11 LEU 51 HD11 LEU 51 -24.176 24.031 5.143 375 HD12 LEU 51 HD12 LEU 51 -23.439 25.587 4.683 376 HD13 LEU 51 HD13 LEU 51 -25.005 25.116 4.018 377 HD21 LEU 51 HD21 LEU 51 -24.930 22.577 3.261 378 HD22 LEU 51 HD22 LEU 51 -25.169 23.801 1.998 379 HD23 LEU 51 HD23 LEU 51 -23.986 22.490 1.778 380 H SER 52 H SER 52 -23.859 24.710 -0.656 381 HA SER 52 HA SER 52 -23.662 21.881 -1.221 382 HB2 SER 52 HB2 SER 52 -25.334 23.990 -2.622 383 HB3 SER 52 HB3 SER 52 -25.475 22.234 -2.736 384 HG SER 52 HG SER 52 -26.016 23.874 -0.470 385 H GLU 53 H GLU 53 -22.883 24.917 -2.988 386 HA GLU 53 HA GLU 53 -22.116 23.798 -5.415 387 HB2 GLU 53 HB2 GLU 53 -20.945 26.160 -4.032 388 HB3 GLU 53 HB3 GLU 53 -20.551 25.595 -5.665 389 HG2 GLU 53 HG2 GLU 53 -23.061 26.942 -4.804 390 HG3 GLU 53 HG3 GLU 53 -21.680 27.478 -5.805 391 H TYR 54 H TYR 54 -20.303 24.136 -2.396 392 HA TYR 54 HA TYR 54 -17.803 23.216 -3.382 393 HB2 TYR 54 HB2 TYR 54 -17.318 24.271 -1.484 394 HB3 TYR 54 HB3 TYR 54 -18.909 24.117 -0.869 395 HD1 TYR 54 HD2 TYR 54 -15.619 22.566 -1.260 396 HD2 TYR 54 HD1 TYR 54 -19.412 22.372 0.754 397 HE1 TYR 54 HE2 TYR 54 -14.704 20.902 0.263 398 HE2 TYR 54 HE1 TYR 54 -18.560 20.664 2.268 399 HH TYR 54 HH TYR 54 -15.122 19.500 2.100 400 H ASN 55 H ASN 55 -20.603 21.463 -2.067 401 HA ASN 55 HA ASN 55 -19.294 18.945 -2.288 402 HB2 ASN 55 HB2 ASN 55 -21.685 19.764 -1.142 403 HB3 ASN 55 HB3 ASN 55 -22.209 18.941 -2.615 404 HD21 ASN 55 HD22 ASN 55 -20.903 16.791 -3.065 405 HD22 ASN 55 HD21 ASN 55 -20.850 15.734 -1.654 406 H LEU 56 H LEU 56 -21.068 21.051 -4.576 407 HA LEU 56 HA LEU 56 -21.179 19.198 -6.774 408 HB2 LEU 56 HB2 LEU 56 -21.517 22.134 -6.390 409 HB3 LEU 56 HB3 LEU 56 -21.145 21.613 -7.999 410 HG LEU 56 HG LEU 56 -23.157 20.411 -8.230 411 HD11 LEU 56 HD11 LEU 56 -23.401 19.369 -5.985 412 HD12 LEU 56 HD12 LEU 56 -23.836 20.956 -5.315 413 HD13 LEU 56 HD13 LEU 56 -24.878 20.180 -6.517 414 HD21 LEU 56 HD21 LEU 56 -23.211 22.878 -8.431 415 HD22 LEU 56 HD22 LEU 56 -24.774 22.254 -7.858 416 HD23 LEU 56 HD23 LEU 56 -23.632 23.030 -6.727 417 H TYR 57 H TYR 57 -18.690 21.583 -5.710 418 HA TYR 57 HA TYR 57 -16.861 21.103 -7.782 419 HB2 TYR 57 HB2 TYR 57 -16.179 22.813 -6.461 420 HB3 TYR 57 HB3 TYR 57 -16.514 22.007 -4.957 421 HD1 TYR 57 HD1 TYR 57 -15.062 20.105 -4.192 422 HD2 TYR 57 HD2 TYR 57 -14.044 22.459 -7.656 423 HE1 TYR 57 HE1 TYR 57 -12.988 18.805 -4.444 424 HE2 TYR 57 HE2 TYR 57 -11.870 21.262 -7.826 425 HH TYR 57 HH TYR 57 -10.584 19.549 -7.048 426 H ARG 58 H ARG 58 -17.510 19.319 -4.809 427 HA ARG 58 HA ARG 58 -15.778 17.114 -5.083 428 HB2 ARG 58 HB2 ARG 58 -17.664 18.117 -3.254 429 HB3 ARG 58 HB3 ARG 58 -18.415 16.627 -3.772 430 HG2 ARG 58 HG2 ARG 58 -17.281 16.056 -1.874 431 HG3 ARG 58 HG3 ARG 58 -16.176 15.497 -3.160 432 HD2 ARG 58 HD2 ARG 58 -14.906 17.645 -2.868 433 HD3 ARG 58 HD3 ARG 58 -15.954 18.069 -1.527 434 HE ARG 58 HE ARG 58 -13.841 16.002 -1.541 435 HH11 ARG 58 HH21 ARG 58 -16.584 17.237 0.268 436 HH12 ARG 58 HH22 ARG 58 -16.113 16.398 1.716 437 HH21 ARG 58 HH11 ARG 58 -13.280 14.995 0.363 438 HH22 ARG 58 HH12 ARG 58 -14.313 15.157 1.755 439 H ASN 59 H ASN 59 -19.111 17.538 -6.192 440 HA ASN 59 HA ASN 59 -19.478 14.982 -7.332 441 HB2 ASN 59 HB2 ASN 59 -21.294 16.712 -6.777 442 HB3 ASN 59 HB3 ASN 59 -20.799 17.571 -8.232 443 HD21 ASN 59 HD22 ASN 59 -22.363 17.225 -9.772 444 HD22 ASN 59 HD21 ASN 59 -23.045 15.646 -10.120 445 H ALA 60 H ALA 60 -18.380 18.034 -8.771 446 HA ALA 60 HA ALA 60 -17.881 17.146 -11.400 447 HB1 ALA 60 HB1 ALA 60 -18.071 19.508 -10.675 448 HB2 ALA 60 HB2 ALA 60 -16.534 19.367 -9.808 449 HB3 ALA 60 HB3 ALA 60 -16.565 19.202 -11.576 450 H GLN 61 H GLN 61 -15.821 17.140 -8.482 451 HA GLN 61 HA GLN 61 -13.672 15.668 -9.625 452 HB2 GLN 61 HB2 GLN 61 -13.554 17.248 -7.815 453 HB3 GLN 61 HB3 GLN 61 -14.390 16.059 -6.764 454 HG2 GLN 61 HG2 GLN 61 -12.257 14.554 -7.725 455 HG3 GLN 61 HG3 GLN 61 -11.559 16.150 -7.803 456 HE21 GLN 61 HE22 GLN 61 -10.503 14.145 -6.123 457 HE22 GLN 61 HE21 GLN 61 -10.779 14.637 -4.458 458 H SER 62 H SER 62 -16.386 14.560 -9.791 459 HA SER 62 HA SER 62 -15.553 11.780 -9.631 460 HB2 SER 62 HB2 SER 62 -17.022 12.436 -7.645 461 HB3 SER 62 HB3 SER 62 -18.339 12.630 -8.818 462 HG SER 62 HG SER 62 -18.296 10.520 -7.843 463 H ASN 63 H ASN 63 -16.114 14.159 -11.523 464 HA ASN 63 HA ASN 63 -17.532 12.723 -13.623 465 HB2 ASN 63 HB2 ASN 63 -18.451 14.953 -12.469 466 HB3 ASN 63 HB3 ASN 63 -17.300 15.746 -13.508 467 HD21 ASN 63 HD22 ASN 63 -20.315 13.923 -13.472 468 HD22 ASN 63 HD21 ASN 63 -20.681 14.202 -15.167 469 H THR 64 H THR 64 -15.113 15.234 -13.046 470 HA THR 64 HA THR 64 -13.547 15.120 -15.304 471 HB THR 64 HB THR 64 -13.347 16.670 -13.521 472 HG1 THR 64 HG1 THR 64 -11.130 16.843 -13.502 473 HG21 THR 64 HG21 THR 64 -13.576 14.898 -11.669 474 HG22 THR 64 HG22 THR 64 -11.809 14.717 -11.817 475 HG23 THR 64 HG23 THR 64 -12.515 16.295 -11.395 476 H VAL 65 H VAL 65 -13.289 13.149 -12.515 477 HA VAL 65 HA VAL 65 -11.364 11.249 -12.974 478 HB VAL 65 HB VAL 65 -14.106 10.653 -11.800 479 HG11 VAL 65 HG11 VAL 65 -12.223 8.917 -11.622 480 HG12 VAL 65 HG12 VAL 65 -11.286 10.147 -10.723 481 HG13 VAL 65 HG13 VAL 65 -12.788 9.506 -10.041 482 HG21 VAL 65 HG21 VAL 65 -12.122 12.545 -10.568 483 HG22 VAL 65 HG22 VAL 65 -13.862 12.773 -10.943 484 HG23 VAL 65 HG23 VAL 65 -13.384 11.680 -9.657 485 H LYS 66 H LYS 66 -14.502 11.458 -14.457 486 HA LYS 66 HA LYS 66 -14.277 8.944 -15.954 487 HB2 LYS 66 HB2 LYS 66 -16.541 10.485 -14.668 488 HB3 LYS 66 HB3 LYS 66 -16.898 9.572 -16.124 489 HG2 LYS 66 HG2 LYS 66 -17.482 8.207 -14.296 490 HG3 LYS 66 HG3 LYS 66 -16.057 7.494 -15.054 491 HD2 LYS 66 HD2 LYS 66 -14.631 8.288 -13.227 492 HD3 LYS 66 HD3 LYS 66 -15.958 9.265 -12.575 493 HE2 LYS 66 HE2 LYS 66 -15.734 7.323 -11.200 494 HE3 LYS 66 HE3 LYS 66 -17.245 7.194 -12.102 495 HZ1 LYS 66 HZ1 LYS 66 -16.126 5.649 -13.624 496 HZ2 LYS 66 HZ2 LYS 66 -14.710 5.802 -12.815 497 HZ3 LYS 66 HZ3 LYS 66 -15.994 5.102 -12.096 498 H VAL 67 H VAL 67 -13.543 12.024 -16.396 499 HA VAL 67 HA VAL 67 -14.288 12.206 -19.215 500 HB VAL 67 HB VAL 67 -13.580 14.129 -17.041 501 HG11 VAL 67 HG11 VAL 67 -13.570 15.980 -18.604 502 HG12 VAL 67 HG12 VAL 67 -12.164 14.920 -18.732 503 HG13 VAL 67 HG13 VAL 67 -13.457 14.782 -19.964 504 HG21 VAL 67 HG21 VAL 67 -15.887 13.313 -17.533 505 HG22 VAL 67 HG22 VAL 67 -15.672 15.081 -17.539 506 HG23 VAL 67 HG23 VAL 67 -15.788 14.160 -19.084 507 H PHE 68 H PHE 68 -11.505 12.238 -16.984 508 HA PHE 68 HA PHE 68 -9.478 12.321 -18.944 509 HB2 PHE 68 HB2 PHE 68 -9.784 11.004 -16.224 510 HB3 PHE 68 HB3 PHE 68 -8.269 10.867 -17.137 511 HD1 PHE 68 HD2 PHE 68 -7.448 13.315 -18.126 512 HD2 PHE 68 HD1 PHE 68 -9.766 12.636 -14.552 513 HE1 PHE 68 HE2 PHE 68 -6.739 15.524 -17.238 514 HE2 PHE 68 HE1 PHE 68 -9.115 14.868 -13.700 515 HZ PHE 68 HZ PHE 68 -7.576 16.308 -15.029 516 H LYS 69 H LYS 69 -11.599 9.771 -17.845 517 HA LYS 69 HA LYS 69 -10.895 7.521 -19.339 518 HB2 LYS 69 HB2 LYS 69 -12.643 7.452 -17.641 519 HB3 LYS 69 HB3 LYS 69 -13.483 8.794 -18.364 520 HG2 LYS 69 HG2 LYS 69 -13.320 6.303 -20.027 521 HG3 LYS 69 HG3 LYS 69 -14.357 6.274 -18.609 522 HD2 LYS 69 HD2 LYS 69 -15.822 7.889 -19.386 523 HD3 LYS 69 HD3 LYS 69 -14.645 8.661 -20.433 524 HE2 LYS 69 HE2 LYS 69 -14.694 6.659 -21.942 525 HE3 LYS 69 HE3 LYS 69 -15.986 5.981 -20.939 526 HZ1 LYS 69 HZ1 LYS 69 -16.902 7.185 -22.836 527 HZ2 LYS 69 HZ2 LYS 69 -17.316 7.979 -21.473 528 HZ3 LYS 69 HZ3 LYS 69 -16.132 8.567 -22.439 529 H ASP 70 H ASP 70 -12.471 10.490 -20.436 530 HA ASP 70 HA ASP 70 -13.213 9.417 -22.987 531 HB2 ASP 70 HB2 ASP 70 -14.289 11.368 -21.443 532 HB3 ASP 70 HB3 ASP 70 -13.368 12.333 -22.600 533 H ILE 71 H ILE 71 -10.591 11.390 -21.754 534 HA ILE 71 HA ILE 71 -9.400 11.830 -24.300 535 HB ILE 71 HB ILE 71 -8.339 11.812 -21.433 536 HG12 ILE 71 HG12 ILE 71 -7.715 14.177 -21.980 537 HG13 ILE 71 HG13 ILE 71 -8.511 14.001 -23.552 538 HG21 ILE 71 HG21 ILE 71 -6.466 10.873 -22.621 539 HG22 ILE 71 HG22 ILE 71 -6.589 12.110 -23.902 540 HG23 ILE 71 HG23 ILE 71 -6.104 12.553 -22.249 541 HD11 ILE 71 HD11 ILE 71 -10.658 13.678 -22.475 542 HD12 ILE 71 HD12 ILE 71 -9.872 13.473 -20.890 543 HD13 ILE 71 HD13 ILE 71 -9.892 15.070 -21.684 544 H ASP 72 H ASP 72 -9.059 9.335 -21.829 545 HA ASP 72 HA ASP 72 -7.288 7.672 -23.226 546 HB2 ASP 72 HB2 ASP 72 -7.639 7.707 -20.866 547 HB3 ASP 72 HB3 ASP 72 -9.318 7.282 -21.048 548 H ALA 73 H ALA 73 -10.860 7.705 -23.308 549 HA ALA 73 HA ALA 73 -11.172 5.561 -25.114 550 HB1 ALA 73 HB1 ALA 73 -13.039 6.622 -23.885 551 HB2 ALA 73 HB2 ALA 73 -12.848 8.102 -24.856 552 HB3 ALA 73 HB3 ALA 73 -13.353 6.589 -25.629 553 H ALA 74 H ALA 74 -10.194 8.974 -25.729 554 HA ALA 74 HA ALA 74 -10.174 8.721 -28.561 555 HB1 ALA 74 HB1 ALA 74 -9.084 10.829 -28.575 556 HB2 ALA 74 HB2 ALA 74 -10.161 10.882 -27.160 557 HB3 ALA 74 HB3 ALA 74 -8.422 10.608 -26.955 558 H ILE 75 H ILE 75 -7.726 8.020 -26.062 559 HA ILE 75 HA ILE 75 -5.621 7.256 -27.788 560 HB ILE 75 HB ILE 75 -6.165 6.093 -25.042 561 HG12 ILE 75 HG12 ILE 75 -4.322 8.387 -25.816 562 HG13 ILE 75 HG13 ILE 75 -5.921 8.613 -25.215 563 HG21 ILE 75 HG21 ILE 75 -3.744 5.560 -25.043 564 HG22 ILE 75 HG22 ILE 75 -4.584 4.697 -26.318 565 HG23 ILE 75 HG23 ILE 75 -3.621 6.135 -26.719 566 HD11 ILE 75 HD11 ILE 75 -5.167 7.302 -23.110 567 HD12 ILE 75 HD12 ILE 75 -3.523 7.438 -23.759 568 HD13 ILE 75 HD13 ILE 75 -4.437 8.900 -23.362 569 H LEU 76 H LEU 76 -8.383 5.424 -26.453 570 HA LEU 76 HA LEU 76 -7.932 2.920 -27.747 571 HB2 LEU 76 HB2 LEU 76 -10.216 4.339 -26.471 572 HB3 LEU 76 HB3 LEU 76 -10.665 3.121 -27.634 573 HG LEU 76 HG LEU 76 -9.439 1.434 -26.402 574 HD11 LEU 76 HD11 LEU 76 -8.838 3.548 -24.305 575 HD12 LEU 76 HD12 LEU 76 -8.504 1.811 -24.176 576 HD13 LEU 76 HD13 LEU 76 -7.634 2.783 -25.367 577 HD21 LEU 76 HD21 LEU 76 -10.889 1.323 -24.430 578 HD22 LEU 76 HD22 LEU 76 -11.280 3.048 -24.606 579 HD23 LEU 76 HD23 LEU 76 -11.791 1.882 -25.848 580 H GLU 77 H GLU 77 -9.929 5.716 -28.958 581 HA GLU 77 HA GLU 77 -10.418 4.702 -31.516 582 HB2 GLU 77 HB2 GLU 77 -9.988 7.572 -30.633 583 HB3 GLU 77 HB3 GLU 77 -10.481 7.113 -32.261 584 HG2 GLU 77 HG2 GLU 77 -12.469 5.952 -31.343 585 HG3 GLU 77 HG3 GLU 77 -12.044 6.486 -29.727 586 H HIS 78 H HIS 78 -7.464 6.306 -30.363 587 HA HIS 78 HA HIS 78 -6.096 6.501 -32.822 588 HB2 HIS 78 HB2 HIS 78 -5.599 7.562 -30.519 589 HB3 HIS 78 HB3 HIS 78 -4.751 6.083 -30.131 590 HD1 HIS 78 HD1 HIS 78 -2.346 5.764 -31.303 591 HD2 HIS 78 HD2 HIS 78 -4.546 9.160 -32.456 592 HE1 HIS 78 HE1 HIS 78 -0.728 7.257 -32.590 593 H HIS 79 H HIS 79 -6.905 3.566 -31.224 594 HA HIS 79 HA HIS 79 -5.113 2.140 -33.147 595 HB2 HIS 79 HB2 HIS 79 -4.557 0.464 -31.659 596 HB3 HIS 79 HB3 HIS 79 -4.352 1.949 -30.740 597 HD1 HIS 79 HD1 HIS 79 -6.630 -1.147 -30.911 598 HD2 HIS 79 HD2 HIS 79 -5.794 2.217 -28.528 599 HE1 HIS 79 HE1 HIS 79 -7.822 -1.532 -28.693 600 H HIS 80 H HIS 80 -8.358 2.302 -31.732 601 HA HIS 80 HA HIS 80 -9.444 0.014 -33.100 602 HB2 HIS 80 HB2 HIS 80 -10.674 2.559 -32.001 603 HB3 HIS 80 HB3 HIS 80 -11.625 1.342 -32.834 604 HD1 HIS 80 HD1 HIS 80 -9.266 1.379 -29.737 605 HD2 HIS 80 HD2 HIS 80 -12.666 -0.489 -31.359 606 HE1 HIS 80 HE1 HIS 80 -10.141 -0.210 -27.932 607 H HIS 81 H HIS 81 -8.405 3.084 -34.349 608 HA HIS 81 HA HIS 81 -9.867 3.401 -36.693 609 HB2 HIS 81 HB2 HIS 81 -7.969 4.780 -35.630 610 HB3 HIS 81 HB3 HIS 81 -6.853 3.730 -36.490 611 HD1 HIS 81 HD1 HIS 81 -8.645 3.782 -39.293 612 HD2 HIS 81 HD2 HIS 81 -7.368 6.989 -36.888 613 HE1 HIS 81 HE1 HIS 81 -8.604 5.843 -40.810 614 H HIS 82 H HIS 82 -7.677 0.756 -35.985 615 HA HIS 82 HA HIS 82 -7.112 -0.175 -38.624 616 HB2 HIS 82 HB2 HIS 82 -5.933 -0.834 -36.550 617 HB3 HIS 82 HB3 HIS 82 -7.383 -1.654 -35.975 618 HD1 HIS 82 HD1 HIS 82 -7.433 -4.200 -36.553 619 HD2 HIS 82 HD2 HIS 82 -4.957 -1.895 -39.058 620 HE1 HIS 82 HE1 HIS 82 -6.262 -5.845 -38.106 621 H HIS 83 H HIS 83 -10.091 -0.366 -36.766 622 HA HIS 83 HA HIS 83 -11.265 -2.720 -37.834 623 HB2 HIS 83 HB2 HIS 83 -11.996 -1.525 -35.795 624 HB3 HIS 83 HB3 HIS 83 -12.574 -0.185 -36.782 625 HD1 HIS 83 HD1 HIS 83 -13.520 -3.754 -35.785 626 HD2 HIS 83 HD2 HIS 83 -14.890 -0.548 -38.137 627 HE1 HIS 83 HE1 HIS 83 -15.937 -4.302 -36.395 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -7.278 2.968 -21.803 2 H2 MET 1 H2 MET 1 -6.856 4.392 -21.099 3 H3 MET 1 H3 MET 1 -5.912 3.075 -20.897 4 HA MET 1 HA MET 1 -8.698 3.254 -19.965 5 HB2 MET 1 HB2 MET 1 -6.516 1.243 -19.265 6 HB3 MET 1 HB3 MET 1 -8.077 1.376 -18.451 7 HG2 MET 1 HG2 MET 1 -7.635 0.672 -21.372 8 HG3 MET 1 HG3 MET 1 -8.142 -0.409 -20.080 9 HE1 MET 1 HE1 MET 1 -10.118 -1.291 -21.578 10 HE2 MET 1 HE2 MET 1 -11.325 -0.241 -22.353 11 HE3 MET 1 HE3 MET 1 -9.629 -0.189 -22.888 12 H ALA 2 H ALA 2 -5.356 3.202 -18.501 13 HA ALA 2 HA ALA 2 -6.059 5.608 -16.911 14 HB1 ALA 2 HB1 ALA 2 -6.796 3.563 -15.530 15 HB2 ALA 2 HB2 ALA 2 -5.118 2.947 -15.674 16 HB3 ALA 2 HB3 ALA 2 -5.421 4.436 -14.801 17 H THR 3 H THR 3 -4.546 6.584 -15.890 18 HA THR 3 HA THR 3 -1.775 6.388 -16.798 19 HB THR 3 HB THR 3 -1.543 8.200 -15.030 20 HG1 THR 3 HG1 THR 3 -3.457 7.746 -13.852 21 HG21 THR 3 HG21 THR 3 -3.581 8.498 -17.295 22 HG22 THR 3 HG22 THR 3 -2.677 9.859 -16.549 23 HG23 THR 3 HG23 THR 3 -1.799 8.597 -17.454 24 HA PRO 4 HA PRO 4 -0.573 3.930 -13.406 25 HB2 PRO 4 HB2 PRO 4 2.135 5.025 -13.382 26 HB3 PRO 4 HB3 PRO 4 1.531 3.422 -13.943 27 HG2 PRO 4 HG2 PRO 4 2.459 5.439 -15.701 28 HG3 PRO 4 HG3 PRO 4 1.301 4.126 -16.130 29 HD2 PRO 4 HD2 PRO 4 0.661 6.952 -15.482 30 HD3 PRO 4 HD3 PRO 4 0.053 5.812 -16.707 31 H TRP 5 H TRP 5 -1.433 4.425 -11.529 32 HA TRP 5 HA TRP 5 -2.049 6.873 -10.594 33 HB2 TRP 5 HB2 TRP 5 -2.756 5.877 -8.564 34 HB3 TRP 5 HB3 TRP 5 -3.017 4.714 -9.847 35 HD1 TRP 5 HD1 TRP 5 -1.459 2.508 -9.827 36 HE1 TRP 5 HE1 TRP 5 -0.078 1.364 -7.993 37 HE3 TRP 5 HE3 TRP 5 -1.344 6.321 -6.401 38 HZ2 TRP 5 HZ2 TRP 5 1.006 2.039 -5.402 39 HZ3 TRP 5 HZ3 TRP 5 -0.101 6.050 -4.267 40 HH2 TRP 5 HH2 TRP 5 1.078 3.923 -3.758 41 H SER 6 H SER 6 0.838 5.166 -9.332 42 HA SER 6 HA SER 6 1.425 7.163 -7.400 43 HB2 SER 6 HB2 SER 6 3.637 6.019 -7.225 44 HB3 SER 6 HB3 SER 6 2.265 4.900 -7.202 45 HG SER 6 HG SER 6 3.954 4.190 -8.603 46 H GLY 7 H GLY 7 1.746 7.532 -10.727 47 HA2 GLY 7 HA2 GLY 7 3.670 9.817 -10.423 48 HA3 GLY 7 HA3 GLY 7 3.542 8.822 -11.875 49 H TYR 8 H TYR 8 0.460 9.486 -10.425 50 HA TYR 8 HA TYR 8 0.023 11.955 -11.903 51 HB2 TYR 8 HB2 TYR 8 -0.297 9.901 -13.443 52 HB3 TYR 8 HB3 TYR 8 -1.711 9.529 -12.481 53 HD1 TYR 8 HD1 TYR 8 -0.122 12.115 -14.664 54 HD2 TYR 8 HD2 TYR 8 -3.803 10.653 -12.951 55 HE1 TYR 8 HE1 TYR 8 -1.426 13.638 -16.152 56 HE2 TYR 8 HE2 TYR 8 -5.099 12.177 -14.432 57 HH TYR 8 HH TYR 8 -5.007 13.770 -16.074 58 H LEU 9 H LEU 9 -1.323 9.500 -9.752 59 HA LEU 9 HA LEU 9 -3.746 10.636 -8.972 60 HB2 LEU 9 HB2 LEU 9 -2.961 8.374 -8.465 61 HB3 LEU 9 HB3 LEU 9 -1.718 9.000 -7.393 62 HG LEU 9 HG LEU 9 -3.654 7.934 -6.313 63 HD11 LEU 9 HD11 LEU 9 -3.362 10.807 -5.357 64 HD12 LEU 9 HD12 LEU 9 -3.800 9.378 -4.439 65 HD13 LEU 9 HD13 LEU 9 -2.164 9.512 -5.118 66 HD21 LEU 9 HD21 LEU 9 -5.430 8.727 -7.784 67 HD22 LEU 9 HD22 LEU 9 -5.777 9.078 -6.085 68 HD23 LEU 9 HD23 LEU 9 -5.228 10.379 -7.170 69 H ASP 10 H ASP 10 -0.502 11.341 -7.742 70 HA ASP 10 HA ASP 10 -1.227 12.829 -5.471 71 HB2 ASP 10 HB2 ASP 10 1.015 11.851 -6.015 72 HB3 ASP 10 HB3 ASP 10 1.254 13.109 -7.225 73 H ASP 11 H ASP 11 -1.592 13.836 -8.740 74 HA ASP 11 HA ASP 11 -2.025 16.680 -7.902 75 HB2 ASP 11 HB2 ASP 11 -0.396 16.280 -9.752 76 HB3 ASP 11 HB3 ASP 11 -1.662 15.467 -10.672 77 H VAL 12 H VAL 12 -3.722 13.831 -8.620 78 HA VAL 12 HA VAL 12 -6.167 15.138 -9.562 79 HB VAL 12 HB VAL 12 -5.155 12.287 -9.385 80 HG11 VAL 12 HG11 VAL 12 -7.445 11.984 -8.832 81 HG12 VAL 12 HG12 VAL 12 -7.980 13.143 -10.073 82 HG13 VAL 12 HG13 VAL 12 -7.265 11.582 -10.541 83 HG21 VAL 12 HG21 VAL 12 -5.396 12.388 -11.829 84 HG22 VAL 12 HG22 VAL 12 -6.020 14.050 -11.714 85 HG23 VAL 12 HG23 VAL 12 -4.348 13.691 -11.242 86 H SER 13 H SER 13 -5.165 12.871 -6.999 87 HA SER 13 HA SER 13 -7.543 13.104 -5.431 88 HB2 SER 13 HB2 SER 13 -5.987 11.228 -5.272 89 HB3 SER 13 HB3 SER 13 -4.727 12.315 -4.631 90 HG SER 13 HG SER 13 -5.889 11.166 -2.973 91 H ALA 14 H ALA 14 -4.379 14.779 -5.429 92 HA ALA 14 HA ALA 14 -5.083 16.392 -3.242 93 HB1 ALA 14 HB1 ALA 14 -2.768 16.060 -3.830 94 HB2 ALA 14 HB2 ALA 14 -3.000 17.070 -5.297 95 HB3 ALA 14 HB3 ALA 14 -3.218 17.771 -3.671 96 H LYS 15 H LYS 15 -5.892 16.676 -6.664 97 HA LYS 15 HA LYS 15 -6.620 19.380 -6.841 98 HB2 LYS 15 HB2 LYS 15 -6.705 17.245 -8.526 99 HB3 LYS 15 HB3 LYS 15 -8.409 17.388 -8.175 100 HG2 LYS 15 HG2 LYS 15 -8.480 19.642 -9.011 101 HG3 LYS 15 HG3 LYS 15 -6.722 19.768 -9.067 102 HD2 LYS 15 HD2 LYS 15 -8.356 17.835 -10.757 103 HD3 LYS 15 HD3 LYS 15 -7.823 19.422 -11.313 104 HE2 LYS 15 HE2 LYS 15 -6.070 17.040 -10.576 105 HE3 LYS 15 HE3 LYS 15 -6.406 17.635 -12.199 106 HZ1 LYS 15 HZ1 LYS 15 -4.253 18.385 -11.398 107 HZ2 LYS 15 HZ2 LYS 15 -5.226 19.696 -11.603 108 HZ3 LYS 15 HZ3 LYS 15 -4.906 19.092 -10.101 109 H PHE 16 H PHE 16 -8.473 16.621 -5.702 110 HA PHE 16 HA PHE 16 -10.793 17.938 -4.785 111 HB2 PHE 16 HB2 PHE 16 -11.074 15.690 -5.156 112 HB3 PHE 16 HB3 PHE 16 -9.498 15.255 -4.582 113 HD1 PHE 16 HD2 PHE 16 -9.052 15.200 -2.049 114 HD2 PHE 16 HD1 PHE 16 -12.979 15.210 -3.841 115 HE1 PHE 16 HE2 PHE 16 -10.004 14.199 0.020 116 HE2 PHE 16 HE1 PHE 16 -13.920 14.188 -1.781 117 HZ PHE 16 HZ PHE 16 -12.437 13.690 0.154 118 H ASP 17 H ASP 17 -7.709 18.277 -3.593 119 HA ASP 17 HA ASP 17 -8.642 19.183 -0.986 120 HB2 ASP 17 HB2 ASP 17 -7.207 17.141 -0.975 121 HB3 ASP 17 HB3 ASP 17 -5.900 18.106 -1.656 122 H THR 18 H THR 18 -7.393 20.385 -3.894 123 HA THR 18 HA THR 18 -6.709 22.931 -2.613 124 HB THR 18 HB THR 18 -4.804 21.345 -3.341 125 HG1 THR 18 HG1 THR 18 -4.348 23.420 -2.719 126 HG21 THR 18 HG21 THR 18 -4.031 21.535 -5.604 127 HG22 THR 18 HG22 THR 18 -5.719 20.975 -5.639 128 HG23 THR 18 HG23 THR 18 -5.339 22.674 -6.015 129 H GLY 19 H GLY 19 -8.086 21.431 -5.511 130 HA2 GLY 19 HA2 GLY 19 -8.818 24.018 -6.743 131 HA3 GLY 19 HA3 GLY 19 -9.388 22.418 -7.241 132 H VAL 20 H VAL 20 -10.175 21.498 -4.671 133 HA VAL 20 HA VAL 20 -12.760 22.420 -4.129 134 HB VAL 20 HB VAL 20 -11.200 20.452 -3.151 135 HG11 VAL 20 HG11 VAL 20 -11.097 22.283 -0.765 136 HG12 VAL 20 HG12 VAL 20 -10.592 20.591 -0.877 137 HG13 VAL 20 HG13 VAL 20 -9.715 21.822 -1.791 138 HG21 VAL 20 HG21 VAL 20 -12.902 20.116 -1.348 139 HG22 VAL 20 HG22 VAL 20 -13.435 21.801 -1.567 140 HG23 VAL 20 HG23 VAL 20 -13.679 20.620 -2.853 141 H ASP 21 H ASP 21 -9.743 23.717 -2.938 142 HA ASP 21 HA ASP 21 -10.971 25.501 -1.159 143 HB2 ASP 21 HB2 ASP 21 -8.815 24.823 -0.692 144 HB3 ASP 21 HB3 ASP 21 -8.233 25.197 -2.281 145 H ASN 22 H ASN 22 -10.702 25.791 -4.615 146 HA ASN 22 HA ASN 22 -11.201 28.630 -4.606 147 HB2 ASN 22 HB2 ASN 22 -11.902 26.418 -6.637 148 HB3 ASN 22 HB3 ASN 22 -12.094 28.138 -6.936 149 HD21 ASN 22 HD22 ASN 22 -10.184 25.762 -7.894 150 HD22 ASN 22 HD21 ASN 22 -8.650 26.618 -8.021 151 H LEU 23 H LEU 23 -13.152 25.738 -4.200 152 HA LEU 23 HA LEU 23 -15.611 27.242 -4.236 153 HB2 LEU 23 HB2 LEU 23 -15.068 24.614 -4.849 154 HB3 LEU 23 HB3 LEU 23 -15.768 24.476 -3.254 155 HG LEU 23 HG LEU 23 -17.452 24.392 -4.992 156 HD11 LEU 23 HD11 LEU 23 -19.014 25.902 -4.148 157 HD12 LEU 23 HD12 LEU 23 -17.865 25.799 -2.825 158 HD13 LEU 23 HD13 LEU 23 -17.828 27.194 -3.894 159 HD21 LEU 23 HD21 LEU 23 -18.339 26.209 -6.309 160 HD22 LEU 23 HD22 LEU 23 -16.796 27.082 -6.088 161 HD23 LEU 23 HD23 LEU 23 -16.807 25.487 -6.893 162 H GLN 24 H GLN 24 -13.595 25.634 -1.816 163 HA GLN 24 HA GLN 24 -14.962 26.296 0.503 164 HB2 GLN 24 HB2 GLN 24 -12.736 24.927 0.102 165 HB3 GLN 24 HB3 GLN 24 -11.963 26.509 0.391 166 HG2 GLN 24 HG2 GLN 24 -11.885 25.383 2.388 167 HG3 GLN 24 HG3 GLN 24 -13.129 26.635 2.577 168 HE21 GLN 24 HE22 GLN 24 -12.596 23.095 2.184 169 HE22 GLN 24 HE21 GLN 24 -14.207 22.652 2.728 170 H THR 25 H THR 25 -12.477 28.312 -1.205 171 HA THR 25 HA THR 25 -12.500 30.473 0.570 172 HB THR 25 HB THR 25 -10.892 29.975 -1.254 173 HG1 THR 25 HG1 THR 25 -10.394 32.166 -1.463 174 HG21 THR 25 HG21 THR 25 -12.703 31.559 -3.077 175 HG22 THR 25 HG22 THR 25 -11.069 30.929 -3.413 176 HG23 THR 25 HG23 THR 25 -12.383 29.803 -3.134 177 H GLN 26 H GLN 26 -14.431 29.895 -2.300 178 HA GLN 26 HA GLN 26 -16.189 32.094 -2.130 179 HB2 GLN 26 HB2 GLN 26 -15.984 29.580 -3.632 180 HB3 GLN 26 HB3 GLN 26 -17.618 29.799 -3.101 181 HG2 GLN 26 HG2 GLN 26 -17.296 30.730 -5.327 182 HG3 GLN 26 HG3 GLN 26 -17.746 31.998 -4.184 183 HE21 GLN 26 HE22 GLN 26 -14.537 30.467 -5.156 184 HE22 GLN 26 HE21 GLN 26 -13.825 32.031 -5.527 185 H VAL 27 H VAL 27 -16.826 28.816 -0.696 186 HA VAL 27 HA VAL 27 -19.215 29.682 0.496 187 HB VAL 27 HB VAL 27 -19.404 27.802 1.671 188 HG11 VAL 27 HG11 VAL 27 -18.976 26.014 0.252 189 HG12 VAL 27 HG12 VAL 27 -18.760 27.369 -0.892 190 HG13 VAL 27 HG13 VAL 27 -17.361 26.563 -0.166 191 HG21 VAL 27 HG21 VAL 27 -17.645 27.744 3.227 192 HG22 VAL 27 HG22 VAL 27 -17.758 26.188 2.418 193 HG23 VAL 27 HG23 VAL 27 -16.464 27.310 1.966 194 H THR 28 H THR 28 -15.879 29.726 1.668 195 HA THR 28 HA THR 28 -16.434 30.582 4.298 196 HB THR 28 HB THR 28 -13.973 31.234 2.713 197 HG1 THR 28 HG1 THR 28 -14.246 28.997 2.752 198 HG21 THR 28 HG21 THR 28 -13.936 32.474 4.662 199 HG22 THR 28 HG22 THR 28 -14.672 31.167 5.630 200 HG23 THR 28 HG23 THR 28 -12.965 31.027 5.065 201 H GLU 29 H GLU 29 -16.058 32.388 1.228 202 HA GLU 29 HA GLU 29 -16.083 34.849 2.633 203 HB2 GLU 29 HB2 GLU 29 -16.386 34.221 -0.266 204 HB3 GLU 29 HB3 GLU 29 -16.498 35.833 0.408 205 HG2 GLU 29 HG2 GLU 29 -14.339 35.629 1.534 206 HG3 GLU 29 HG3 GLU 29 -14.066 34.078 0.807 207 H ALA 30 H ALA 30 -18.664 32.760 1.267 208 HA ALA 30 HA ALA 30 -20.864 34.524 1.795 209 HB1 ALA 30 HB1 ALA 30 -21.071 32.433 0.464 210 HB2 ALA 30 HB2 ALA 30 -20.709 31.475 1.912 211 HB3 ALA 30 HB3 ALA 30 -22.172 32.464 1.872 212 H LEU 31 H LEU 31 -19.098 32.172 3.737 213 HA LEU 31 HA LEU 31 -20.363 32.658 6.211 214 HB2 LEU 31 HB2 LEU 31 -18.948 30.677 5.533 215 HB3 LEU 31 HB3 LEU 31 -17.564 31.745 5.619 216 HG LEU 31 HG LEU 31 -18.295 32.204 8.084 217 HD11 LEU 31 HD11 LEU 31 -19.580 30.542 9.125 218 HD12 LEU 31 HD12 LEU 31 -20.529 30.986 7.684 219 HD13 LEU 31 HD13 LEU 31 -19.569 29.500 7.666 220 HD21 LEU 31 HD21 LEU 31 -16.280 31.172 7.365 221 HD22 LEU 31 HD22 LEU 31 -16.977 30.309 8.753 222 HD23 LEU 31 HD23 LEU 31 -17.111 29.625 7.063 223 H ASP 32 H ASP 32 -17.552 34.347 4.643 224 HA ASP 32 HA ASP 32 -16.851 35.941 6.822 225 HB2 ASP 32 HB2 ASP 32 -15.474 35.955 4.883 226 HB3 ASP 32 HB3 ASP 32 -16.763 36.472 3.823 227 H LYS 33 H LYS 33 -19.618 36.185 4.624 228 HA LYS 33 HA LYS 33 -20.747 38.506 5.829 229 HB2 LYS 33 HB2 LYS 33 -22.414 36.588 4.365 230 HB3 LYS 33 HB3 LYS 33 -22.442 38.361 4.484 231 HG2 LYS 33 HG2 LYS 33 -20.935 36.516 2.703 232 HG3 LYS 33 HG3 LYS 33 -21.957 37.853 2.266 233 HD2 LYS 33 HD2 LYS 33 -20.164 39.399 3.214 234 HD3 LYS 33 HD3 LYS 33 -19.096 37.966 3.301 235 HE2 LYS 33 HE2 LYS 33 -19.427 37.488 0.951 236 HE3 LYS 33 HE3 LYS 33 -20.384 38.973 0.771 237 HZ1 LYS 33 HZ1 LYS 33 -18.426 40.244 1.456 238 HZ2 LYS 33 HZ2 LYS 33 -17.556 38.887 1.701 239 HZ3 LYS 33 HZ3 LYS 33 -18.014 39.306 0.185 240 H LEU 34 H LEU 34 -21.314 34.997 6.169 241 HA LEU 34 HA LEU 34 -23.402 35.274 8.014 242 HB2 LEU 34 HB2 LEU 34 -22.514 33.348 6.493 243 HB3 LEU 34 HB3 LEU 34 -21.946 32.701 8.056 244 HG LEU 34 HG LEU 34 -24.792 33.601 7.400 245 HD11 LEU 34 HD11 LEU 34 -24.079 31.860 6.014 246 HD12 LEU 34 HD12 LEU 34 -23.623 30.840 7.411 247 HD13 LEU 34 HD13 LEU 34 -25.333 31.292 7.115 248 HD21 LEU 34 HD21 LEU 34 -24.121 31.555 9.524 249 HD22 LEU 34 HD22 LEU 34 -24.319 33.263 9.846 250 HD23 LEU 34 HD23 LEU 34 -25.683 32.370 9.122 251 H ALA 35 H ALA 35 -19.984 35.332 8.498 252 HA ALA 35 HA ALA 35 -20.064 35.117 11.386 253 HB1 ALA 35 HB1 ALA 35 -18.214 34.260 10.028 254 HB2 ALA 35 HB2 ALA 35 -17.862 35.903 9.441 255 HB3 ALA 35 HB3 ALA 35 -17.662 35.515 11.170 256 H ALA 36 H ALA 36 -20.507 37.624 8.961 257 HA ALA 36 HA ALA 36 -20.055 39.951 10.639 258 HB1 ALA 36 HB1 ALA 36 -20.689 41.210 8.649 259 HB2 ALA 36 HB2 ALA 36 -19.501 39.968 8.248 260 HB3 ALA 36 HB3 ALA 36 -21.204 39.745 7.807 261 H LYS 37 H LYS 37 -22.974 38.564 9.150 262 HA LYS 37 HA LYS 37 -24.802 39.892 11.160 263 HB2 LYS 37 HB2 LYS 37 -24.445 41.041 8.778 264 HB3 LYS 37 HB3 LYS 37 -25.281 39.635 8.214 265 HG2 LYS 37 HG2 LYS 37 -27.223 40.330 9.770 266 HG3 LYS 37 HG3 LYS 37 -26.353 41.846 10.016 267 HD2 LYS 37 HD2 LYS 37 -27.067 40.730 7.263 268 HD3 LYS 37 HD3 LYS 37 -28.133 41.822 8.171 269 HE2 LYS 37 HE2 LYS 37 -26.309 43.531 8.214 270 HE3 LYS 37 HE3 LYS 37 -25.288 42.450 7.255 271 HZ1 LYS 37 HZ1 LYS 37 -26.962 42.560 5.478 272 HZ2 LYS 37 HZ2 LYS 37 -27.896 43.566 6.365 273 HZ3 LYS 37 HZ3 LYS 37 -26.431 44.060 5.845 274 HA PRO 38 HA PRO 38 -24.553 35.359 9.941 275 HB2 PRO 38 HB2 PRO 38 -25.731 34.567 12.547 276 HB3 PRO 38 HB3 PRO 38 -24.273 34.039 11.683 277 HG2 PRO 38 HG2 PRO 38 -24.557 36.161 13.699 278 HG3 PRO 38 HG3 PRO 38 -23.044 35.489 13.024 279 HD2 PRO 38 HD2 PRO 38 -24.044 38.040 12.506 280 HD3 PRO 38 HD3 PRO 38 -22.912 37.179 11.428 281 H SER 39 H SER 39 -27.664 35.290 11.720 282 HA SER 39 HA SER 39 -28.452 33.535 9.624 283 HB2 SER 39 HB2 SER 39 -30.436 33.127 10.883 284 HB3 SER 39 HB3 SER 39 -28.971 32.959 11.824 285 HG SER 39 HG SER 39 -30.879 35.081 11.927 286 H ASP 40 H ASP 40 -28.174 36.636 9.246 287 HA ASP 40 HA ASP 40 -30.505 37.663 8.027 288 HB2 ASP 40 HB2 ASP 40 -28.544 39.058 8.241 289 HB3 ASP 40 HB3 ASP 40 -27.598 37.993 7.263 290 HA PRO 41 HA PRO 41 -30.710 33.955 5.649 291 HB2 PRO 41 HB2 PRO 41 -33.116 34.292 4.330 292 HB3 PRO 41 HB3 PRO 41 -32.947 33.850 6.066 293 HG2 PRO 41 HG2 PRO 41 -33.372 36.601 4.792 294 HG3 PRO 41 HG3 PRO 41 -34.286 35.887 6.174 295 HD2 PRO 41 HD2 PRO 41 -32.244 37.616 6.558 296 HD3 PRO 41 HD3 PRO 41 -32.500 36.223 7.652 297 H ALA 42 H ALA 42 -30.891 37.092 4.028 298 HA ALA 42 HA ALA 42 -30.647 36.107 1.392 299 HB1 ALA 42 HB1 ALA 42 -31.417 38.330 2.093 300 HB2 ALA 42 HB2 ALA 42 -29.770 38.748 2.613 301 HB3 ALA 42 HB3 ALA 42 -30.099 38.433 0.889 302 H LEU 43 H LEU 43 -28.086 37.049 3.801 303 HA LEU 43 HA LEU 43 -25.963 36.004 2.080 304 HB2 LEU 43 HB2 LEU 43 -24.487 36.775 3.697 305 HB3 LEU 43 HB3 LEU 43 -25.749 37.998 3.571 306 HG LEU 43 HG LEU 43 -26.719 36.742 5.682 307 HD11 LEU 43 HD11 LEU 43 -25.070 35.824 7.088 308 HD12 LEU 43 HD12 LEU 43 -24.865 34.909 5.571 309 HD13 LEU 43 HD13 LEU 43 -23.793 36.233 5.899 310 HD21 LEU 43 HD21 LEU 43 -24.192 38.412 5.776 311 HD22 LEU 43 HD22 LEU 43 -25.889 38.967 5.989 312 HD23 LEU 43 HD23 LEU 43 -25.109 37.900 7.204 313 H LEU 44 H LEU 44 -27.619 34.770 5.050 314 HA LEU 44 HA LEU 44 -25.946 32.413 5.293 315 HB2 LEU 44 HB2 LEU 44 -26.976 32.748 7.242 316 HB3 LEU 44 HB3 LEU 44 -28.315 33.528 6.622 317 HG LEU 44 HG LEU 44 -29.084 31.730 7.807 318 HD11 LEU 44 HD11 LEU 44 -30.506 30.515 6.430 319 HD12 LEU 44 HD12 LEU 44 -30.131 31.901 5.387 320 HD13 LEU 44 HD13 LEU 44 -29.318 30.330 5.142 321 HD21 LEU 44 HD21 LEU 44 -27.244 29.926 6.234 322 HD22 LEU 44 HD22 LEU 44 -27.174 30.404 7.994 323 HD23 LEU 44 HD23 LEU 44 -28.498 29.398 7.393 324 H ALA 45 H ALA 45 -28.944 32.983 3.316 325 HA ALA 45 HA ALA 45 -28.823 30.250 2.674 326 HB1 ALA 45 HB1 ALA 45 -30.601 30.695 1.002 327 HB2 ALA 45 HB2 ALA 45 -30.961 31.499 2.540 328 HB3 ALA 45 HB3 ALA 45 -30.327 32.445 1.165 329 H ALA 46 H ALA 46 -27.309 33.107 1.204 330 HA ALA 46 HA ALA 46 -26.337 31.775 -1.114 331 HB1 ALA 46 HB1 ALA 46 -25.101 34.090 0.430 332 HB2 ALA 46 HB2 ALA 46 -24.710 33.542 -1.227 333 HB3 ALA 46 HB3 ALA 46 -26.315 34.216 -0.872 334 H TYR 47 H TYR 47 -25.124 31.986 2.265 335 HA TYR 47 HA TYR 47 -22.734 30.481 1.935 336 HB2 TYR 47 HB2 TYR 47 -23.447 31.759 4.008 337 HB3 TYR 47 HB3 TYR 47 -24.650 30.625 4.228 338 HD1 TYR 47 HD1 TYR 47 -20.942 30.299 3.699 339 HD2 TYR 47 HD2 TYR 47 -24.477 28.883 5.708 340 HE1 TYR 47 HE1 TYR 47 -19.599 28.530 4.815 341 HE2 TYR 47 HE2 TYR 47 -23.123 27.164 6.879 342 HH TYR 47 HH TYR 47 -21.047 26.217 7.135 343 H GLN 48 H GLN 48 -25.958 29.425 2.976 344 HA GLN 48 HA GLN 48 -25.150 26.784 3.006 345 HB2 GLN 48 HB2 GLN 48 -27.260 26.145 3.704 346 HB3 GLN 48 HB3 GLN 48 -26.964 27.770 4.272 347 HG2 GLN 48 HG2 GLN 48 -28.992 28.120 3.596 348 HG3 GLN 48 HG3 GLN 48 -28.223 28.370 2.032 349 HE21 GLN 48 HE22 GLN 48 -27.907 25.533 1.205 350 HE22 GLN 48 HE21 GLN 48 -29.534 24.893 1.093 351 H SER 49 H SER 49 -26.261 28.700 0.402 352 HA SER 49 HA SER 49 -26.622 26.677 -1.572 353 HB2 SER 49 HB2 SER 49 -25.728 29.632 -1.898 354 HB3 SER 49 HB3 SER 49 -26.042 28.553 -3.239 355 HG SER 49 HG SER 49 -27.867 29.383 -1.225 356 H LYS 50 H LYS 50 -23.792 28.748 -0.804 357 HA LYS 50 HA LYS 50 -22.032 27.521 -2.644 358 HB2 LYS 50 HB2 LYS 50 -21.522 29.226 -0.123 359 HB3 LYS 50 HB3 LYS 50 -20.291 28.755 -1.275 360 HG2 LYS 50 HG2 LYS 50 -22.639 29.929 -2.649 361 HG3 LYS 50 HG3 LYS 50 -21.898 30.999 -1.470 362 HD2 LYS 50 HD2 LYS 50 -20.938 31.388 -3.574 363 HD3 LYS 50 HD3 LYS 50 -19.728 30.696 -2.455 364 HE2 LYS 50 HE2 LYS 50 -19.192 29.219 -4.035 365 HE3 LYS 50 HE3 LYS 50 -20.714 28.448 -3.700 366 HZ1 LYS 50 HZ1 LYS 50 -20.302 30.586 -5.756 367 HZ2 LYS 50 HZ2 LYS 50 -20.468 29.003 -6.099 368 HZ3 LYS 50 HZ3 LYS 50 -21.726 29.845 -5.477 369 H LEU 51 H LEU 51 -22.647 26.810 0.706 370 HA LEU 51 HA LEU 51 -20.846 24.741 1.344 371 HB2 LEU 51 HB2 LEU 51 -22.109 25.835 2.961 372 HB3 LEU 51 HB3 LEU 51 -23.574 25.785 2.028 373 HG LEU 51 HG LEU 51 -22.525 23.528 3.723 374 HD11 LEU 51 HD11 LEU 51 -23.632 25.796 4.618 375 HD12 LEU 51 HD12 LEU 51 -25.136 25.068 4.041 376 HD13 LEU 51 HD13 LEU 51 -24.172 24.227 5.260 377 HD21 LEU 51 HD21 LEU 51 -24.896 22.624 3.356 378 HD22 LEU 51 HD22 LEU 51 -25.043 23.751 1.996 379 HD23 LEU 51 HD23 LEU 51 -23.831 22.446 1.969 380 H SER 52 H SER 52 -23.892 24.632 -0.523 381 HA SER 52 HA SER 52 -23.608 21.801 -1.058 382 HB2 SER 52 HB2 SER 52 -25.396 23.799 -2.471 383 HB3 SER 52 HB3 SER 52 -25.476 22.033 -2.493 384 HG SER 52 HG SER 52 -26.004 23.761 -0.288 385 H GLU 53 H GLU 53 -23.011 24.841 -2.891 386 HA GLU 53 HA GLU 53 -22.298 23.718 -5.336 387 HB2 GLU 53 HB2 GLU 53 -21.112 26.109 -4.023 388 HB3 GLU 53 HB3 GLU 53 -20.791 25.530 -5.665 389 HG2 GLU 53 HG2 GLU 53 -23.260 26.868 -4.675 390 HG3 GLU 53 HG3 GLU 53 -21.964 27.388 -5.788 391 H TYR 54 H TYR 54 -20.399 24.090 -2.379 392 HA TYR 54 HA TYR 54 -17.913 23.248 -3.458 393 HB2 TYR 54 HB2 TYR 54 -17.365 24.273 -1.561 394 HB3 TYR 54 HB3 TYR 54 -18.951 24.124 -0.914 395 HD1 TYR 54 HD1 TYR 54 -15.766 22.367 -1.550 396 HD2 TYR 54 HD2 TYR 54 -19.282 22.609 0.922 397 HE1 TYR 54 HE1 TYR 54 -14.788 20.744 -0.025 398 HE2 TYR 54 HE2 TYR 54 -18.346 20.953 2.461 399 HH TYR 54 HH TYR 54 -16.508 19.619 2.971 400 H ASN 55 H ASN 55 -20.557 21.403 -1.929 401 HA ASN 55 HA ASN 55 -19.194 18.937 -2.204 402 HB2 ASN 55 HB2 ASN 55 -21.582 19.752 -0.992 403 HB3 ASN 55 HB3 ASN 55 -22.088 18.755 -2.359 404 HD21 ASN 55 HD22 ASN 55 -22.955 17.191 -0.862 405 HD22 ASN 55 HD21 ASN 55 -21.849 16.089 -0.054 406 H LEU 56 H LEU 56 -21.235 20.864 -4.414 407 HA LEU 56 HA LEU 56 -21.371 18.991 -6.593 408 HB2 LEU 56 HB2 LEU 56 -21.753 21.926 -6.168 409 HB3 LEU 56 HB3 LEU 56 -21.548 21.416 -7.803 410 HG LEU 56 HG LEU 56 -23.581 20.313 -7.902 411 HD11 LEU 56 HD11 LEU 56 -25.072 19.812 -6.014 412 HD12 LEU 56 HD12 LEU 56 -23.546 18.933 -5.855 413 HD13 LEU 56 HD13 LEU 56 -23.845 20.382 -4.870 414 HD21 LEU 56 HD21 LEU 56 -24.035 22.591 -5.925 415 HD22 LEU 56 HD22 LEU 56 -23.629 22.835 -7.621 416 HD23 LEU 56 HD23 LEU 56 -25.153 22.018 -7.187 417 H TYR 57 H TYR 57 -18.974 21.548 -5.743 418 HA TYR 57 HA TYR 57 -17.246 21.131 -7.912 419 HB2 TYR 57 HB2 TYR 57 -16.611 22.923 -6.691 420 HB3 TYR 57 HB3 TYR 57 -16.772 22.115 -5.144 421 HD1 TYR 57 HD1 TYR 57 -14.563 22.583 -8.092 422 HD2 TYR 57 HD2 TYR 57 -15.181 20.439 -4.415 423 HE1 TYR 57 HE1 TYR 57 -12.357 21.459 -8.377 424 HE2 TYR 57 HE2 TYR 57 -13.053 19.208 -4.755 425 HH TYR 57 HH TYR 57 -10.987 19.802 -7.631 426 H ARG 58 H ARG 58 -17.583 19.404 -4.858 427 HA ARG 58 HA ARG 58 -15.729 17.310 -5.207 428 HB2 ARG 58 HB2 ARG 58 -17.623 18.249 -3.314 429 HB3 ARG 58 HB3 ARG 58 -18.118 16.611 -3.595 430 HG2 ARG 58 HG2 ARG 58 -16.683 16.710 -1.704 431 HG3 ARG 58 HG3 ARG 58 -15.703 15.961 -2.998 432 HD2 ARG 58 HD2 ARG 58 -14.885 18.377 -3.487 433 HD3 ARG 58 HD3 ARG 58 -15.614 18.843 -1.963 434 HE ARG 58 HE ARG 58 -13.113 17.394 -2.413 435 HH11 ARG 58 HH11 ARG 58 -15.538 17.862 0.065 436 HH12 ARG 58 HH12 ARG 58 -14.362 17.797 1.340 437 HH21 ARG 58 HH21 ARG 58 -11.673 17.419 -0.794 438 HH22 ARG 58 HH22 ARG 58 -12.222 17.407 0.866 439 H ASN 59 H ASN 59 -19.125 17.497 -6.144 440 HA ASN 59 HA ASN 59 -19.365 14.871 -7.161 441 HB2 ASN 59 HB2 ASN 59 -21.263 16.566 -6.560 442 HB3 ASN 59 HB3 ASN 59 -20.937 17.298 -8.120 443 HD21 ASN 59 HD22 ASN 59 -22.540 16.679 -9.532 444 HD22 ASN 59 HD21 ASN 59 -23.141 15.034 -9.656 445 H ALA 60 H ALA 60 -18.660 17.929 -8.806 446 HA ALA 60 HA ALA 60 -18.164 16.912 -11.409 447 HB1 ALA 60 HB1 ALA 60 -17.113 19.125 -11.735 448 HB2 ALA 60 HB2 ALA 60 -18.627 19.292 -10.806 449 HB3 ALA 60 HB3 ALA 60 -17.069 19.381 -9.974 450 H GLN 61 H GLN 61 -16.013 17.360 -8.584 451 HA GLN 61 HA GLN 61 -13.821 16.052 -9.819 452 HB2 GLN 61 HB2 GLN 61 -13.746 17.819 -8.061 453 HB3 GLN 61 HB3 GLN 61 -14.061 16.492 -6.911 454 HG2 GLN 61 HG2 GLN 61 -11.658 16.679 -7.027 455 HG3 GLN 61 HG3 GLN 61 -12.049 15.297 -8.069 456 HE21 GLN 61 HE22 GLN 61 -10.161 15.395 -9.287 457 HE22 GLN 61 HE21 GLN 61 -9.928 16.700 -10.443 458 H SER 62 H SER 62 -16.254 14.673 -9.747 459 HA SER 62 HA SER 62 -15.135 12.012 -9.442 460 HB2 SER 62 HB2 SER 62 -16.628 12.591 -7.432 461 HB3 SER 62 HB3 SER 62 -17.976 12.614 -8.579 462 HG SER 62 HG SER 62 -17.663 10.548 -7.509 463 H ASN 63 H ASN 63 -15.944 14.155 -11.482 464 HA ASN 63 HA ASN 63 -17.034 12.322 -13.478 465 HB2 ASN 63 HB2 ASN 63 -18.395 14.424 -12.469 466 HB3 ASN 63 HB3 ASN 63 -17.408 15.358 -13.539 467 HD21 ASN 63 HD22 ASN 63 -19.909 15.703 -14.133 468 HD22 ASN 63 HD21 ASN 63 -20.409 14.738 -15.514 469 H THR 64 H THR 64 -15.133 15.264 -13.034 470 HA THR 64 HA THR 64 -13.569 15.271 -15.310 471 HB THR 64 HB THR 64 -13.698 16.946 -13.600 472 HG1 THR 64 HG1 THR 64 -11.614 17.621 -13.666 473 HG21 THR 64 HG21 THR 64 -12.782 16.845 -11.509 474 HG22 THR 64 HG22 THR 64 -13.558 15.257 -11.700 475 HG23 THR 64 HG23 THR 64 -11.788 15.405 -11.875 476 H VAL 65 H VAL 65 -13.091 13.519 -12.398 477 HA VAL 65 HA VAL 65 -10.832 11.991 -12.611 478 HB VAL 65 HB VAL 65 -13.536 10.961 -11.633 479 HG11 VAL 65 HG11 VAL 65 -10.713 10.823 -10.455 480 HG12 VAL 65 HG12 VAL 65 -12.156 10.023 -9.798 481 HG13 VAL 65 HG13 VAL 65 -11.479 9.477 -11.344 482 HG21 VAL 65 HG21 VAL 65 -13.014 12.137 -9.491 483 HG22 VAL 65 HG22 VAL 65 -11.882 13.152 -10.419 484 HG23 VAL 65 HG23 VAL 65 -13.623 13.089 -10.846 485 H LYS 66 H LYS 66 -13.744 11.650 -14.428 486 HA LYS 66 HA LYS 66 -13.019 9.153 -15.786 487 HB2 LYS 66 HB2 LYS 66 -15.595 10.489 -14.925 488 HB3 LYS 66 HB3 LYS 66 -15.606 9.094 -16.005 489 HG2 LYS 66 HG2 LYS 66 -14.941 7.606 -14.289 490 HG3 LYS 66 HG3 LYS 66 -14.189 8.884 -13.326 491 HD2 LYS 66 HD2 LYS 66 -16.448 9.895 -12.965 492 HD3 LYS 66 HD3 LYS 66 -17.176 8.458 -13.706 493 HE2 LYS 66 HE2 LYS 66 -16.225 7.034 -11.947 494 HE3 LYS 66 HE3 LYS 66 -15.287 8.390 -11.307 495 HZ1 LYS 66 HZ1 LYS 66 -18.250 8.209 -11.288 496 HZ2 LYS 66 HZ2 LYS 66 -17.271 8.098 -9.983 497 HZ3 LYS 66 HZ3 LYS 66 -17.400 9.516 -10.788 498 H VAL 67 H VAL 67 -12.793 12.282 -16.254 499 HA VAL 67 HA VAL 67 -13.202 12.253 -19.144 500 HB VAL 67 HB VAL 67 -13.066 14.349 -17.004 501 HG11 VAL 67 HG11 VAL 67 -12.587 14.921 -19.901 502 HG12 VAL 67 HG12 VAL 67 -13.060 16.133 -18.631 503 HG13 VAL 67 HG13 VAL 67 -11.533 15.257 -18.492 504 HG21 VAL 67 HG21 VAL 67 -14.968 13.839 -19.276 505 HG22 VAL 67 HG22 VAL 67 -15.155 13.278 -17.602 506 HG23 VAL 67 HG23 VAL 67 -15.171 15.027 -17.932 507 H PHE 68 H PHE 68 -10.846 12.722 -16.530 508 HA PHE 68 HA PHE 68 -8.530 13.151 -18.016 509 HB2 PHE 68 HB2 PHE 68 -9.089 11.482 -15.568 510 HB3 PHE 68 HB3 PHE 68 -7.453 11.932 -16.085 511 HD1 PHE 68 HD1 PHE 68 -8.926 14.926 -16.805 512 HD2 PHE 68 HD2 PHE 68 -8.300 12.385 -13.365 513 HE1 PHE 68 HE1 PHE 68 -9.227 16.863 -15.304 514 HE2 PHE 68 HE2 PHE 68 -8.566 14.362 -11.882 515 HZ PHE 68 HZ PHE 68 -8.997 16.603 -12.858 516 H LYS 69 H LYS 69 -10.461 10.315 -17.556 517 HA LYS 69 HA LYS 69 -9.164 8.209 -18.848 518 HB2 LYS 69 HB2 LYS 69 -11.149 7.951 -17.512 519 HB3 LYS 69 HB3 LYS 69 -12.023 9.149 -18.402 520 HG2 LYS 69 HG2 LYS 69 -11.167 6.700 -19.924 521 HG3 LYS 69 HG3 LYS 69 -12.455 6.541 -18.727 522 HD2 LYS 69 HD2 LYS 69 -13.846 8.191 -19.801 523 HD3 LYS 69 HD3 LYS 69 -12.563 8.668 -20.917 524 HE2 LYS 69 HE2 LYS 69 -12.508 6.389 -21.870 525 HE3 LYS 69 HE3 LYS 69 -13.799 5.887 -20.769 526 HZ1 LYS 69 HZ1 LYS 69 -14.069 7.983 -22.867 527 HZ2 LYS 69 HZ2 LYS 69 -14.700 6.481 -22.944 528 HZ3 LYS 69 HZ3 LYS 69 -15.257 7.538 -21.834 529 H ASP 70 H ASP 70 -10.782 11.002 -20.301 530 HA ASP 70 HA ASP 70 -10.468 10.045 -23.010 531 HB2 ASP 70 HB2 ASP 70 -12.492 11.326 -22.178 532 HB3 ASP 70 HB3 ASP 70 -11.435 12.741 -22.144 533 H ILE 71 H ILE 71 -8.844 12.321 -20.865 534 HA ILE 71 HA ILE 71 -7.052 13.277 -22.866 535 HB ILE 71 HB ILE 71 -6.909 13.105 -19.827 536 HG12 ILE 71 HG12 ILE 71 -6.657 15.575 -19.972 537 HG13 ILE 71 HG13 ILE 71 -6.821 15.482 -21.734 538 HG21 ILE 71 HG21 ILE 71 -4.648 12.616 -20.364 539 HG22 ILE 71 HG22 ILE 71 -4.574 13.946 -21.558 540 HG23 ILE 71 HG23 ILE 71 -4.731 14.287 -19.818 541 HD11 ILE 71 HD11 ILE 71 -8.871 14.365 -19.799 542 HD12 ILE 71 HD12 ILE 71 -8.943 16.042 -20.405 543 HD13 ILE 71 HD13 ILE 71 -9.090 14.678 -21.534 544 H ASP 72 H ASP 72 -7.001 10.564 -20.630 545 HA ASP 72 HA ASP 72 -4.599 9.414 -21.446 546 HB2 ASP 72 HB2 ASP 72 -5.734 8.988 -19.395 547 HB3 ASP 72 HB3 ASP 72 -7.157 8.427 -20.220 548 H ALA 73 H ALA 73 -7.858 8.950 -22.834 549 HA ALA 73 HA ALA 73 -7.065 7.167 -24.889 550 HB1 ALA 73 HB1 ALA 73 -9.295 9.274 -24.885 551 HB2 ALA 73 HB2 ALA 73 -9.182 7.872 -25.964 552 HB3 ALA 73 HB3 ALA 73 -9.422 7.634 -24.222 553 H ALA 74 H ALA 74 -6.132 10.460 -24.489 554 HA ALA 74 HA ALA 74 -5.232 10.724 -27.258 555 HB1 ALA 74 HB1 ALA 74 -6.452 12.631 -26.141 556 HB2 ALA 74 HB2 ALA 74 -5.110 12.759 -24.997 557 HB3 ALA 74 HB3 ALA 74 -4.821 13.048 -26.718 558 H ILE 75 H ILE 75 -3.983 10.388 -23.936 559 HA ILE 75 HA ILE 75 -1.227 10.404 -24.503 560 HB ILE 75 HB ILE 75 -2.721 8.790 -22.409 561 HG12 ILE 75 HG12 ILE 75 -1.073 11.339 -22.146 562 HG13 ILE 75 HG13 ILE 75 -2.796 11.342 -22.351 563 HG21 ILE 75 HG21 ILE 75 -0.525 8.553 -21.254 564 HG22 ILE 75 HG22 ILE 75 -0.563 7.696 -22.778 565 HG23 ILE 75 HG23 ILE 75 0.280 9.260 -22.671 566 HD11 ILE 75 HD11 ILE 75 -1.224 10.266 -19.975 567 HD12 ILE 75 HD12 ILE 75 -2.325 11.645 -20.017 568 HD13 ILE 75 HD13 ILE 75 -2.968 10.001 -20.175 569 H LEU 76 H LEU 76 -3.638 7.868 -24.777 570 HA LEU 76 HA LEU 76 -2.312 5.610 -25.813 571 HB2 LEU 76 HB2 LEU 76 -4.999 6.935 -26.016 572 HB3 LEU 76 HB3 LEU 76 -4.707 5.617 -27.078 573 HG LEU 76 HG LEU 76 -5.812 5.383 -24.622 574 HD11 LEU 76 HD11 LEU 76 -5.327 2.971 -24.819 575 HD12 LEU 76 HD12 LEU 76 -5.817 3.732 -26.341 576 HD13 LEU 76 HD13 LEU 76 -4.088 3.362 -26.051 577 HD21 LEU 76 HD21 LEU 76 -4.395 4.297 -23.030 578 HD22 LEU 76 HD22 LEU 76 -2.968 4.446 -24.073 579 HD23 LEU 76 HD23 LEU 76 -3.714 5.887 -23.344 580 H GLU 77 H GLU 77 -2.546 8.705 -27.326 581 HA GLU 77 HA GLU 77 -1.578 7.692 -29.897 582 HB2 GLU 77 HB2 GLU 77 -3.499 9.937 -29.275 583 HB3 GLU 77 HB3 GLU 77 -2.670 9.813 -30.827 584 HG2 GLU 77 HG2 GLU 77 -4.515 7.713 -29.617 585 HG3 GLU 77 HG3 GLU 77 -4.894 8.842 -30.905 586 H HIS 78 H HIS 78 -0.302 8.763 -27.262 587 HA HIS 78 HA HIS 78 1.607 10.725 -28.482 588 HB2 HIS 78 HB2 HIS 78 -0.285 11.575 -26.839 589 HB3 HIS 78 HB3 HIS 78 0.702 10.836 -25.596 590 HD1 HIS 78 HD1 HIS 78 3.595 11.789 -26.615 591 HD2 HIS 78 HD2 HIS 78 0.095 14.114 -26.396 592 HE1 HIS 78 HE1 HIS 78 4.362 14.222 -26.432 593 H HIS 79 H HIS 79 1.125 8.085 -26.155 594 HA HIS 79 HA HIS 79 3.760 8.082 -25.035 595 HB2 HIS 79 HB2 HIS 79 1.478 7.225 -24.156 596 HB3 HIS 79 HB3 HIS 79 1.787 5.772 -25.092 597 HD1 HIS 79 HD1 HIS 79 4.823 5.266 -24.249 598 HD2 HIS 79 HD2 HIS 79 1.698 6.483 -21.716 599 HE1 HIS 79 HE1 HIS 79 5.499 4.547 -21.882 600 H HIS 80 H HIS 80 2.892 7.179 -28.160 601 HA HIS 80 HA HIS 80 5.012 5.077 -28.384 602 HB2 HIS 80 HB2 HIS 80 2.314 5.118 -29.783 603 HB3 HIS 80 HB3 HIS 80 3.541 3.857 -29.886 604 HD1 HIS 80 HD1 HIS 80 4.065 2.746 -27.206 605 HD2 HIS 80 HD2 HIS 80 0.402 4.614 -28.109 606 HE1 HIS 80 HE1 HIS 80 2.405 1.954 -25.441 607 H HIS 81 H HIS 81 6.163 4.955 -30.257 608 HA HIS 81 HA HIS 81 5.761 6.717 -32.549 609 HB2 HIS 81 HB2 HIS 81 7.967 7.850 -32.276 610 HB3 HIS 81 HB3 HIS 81 6.787 8.320 -31.070 611 HD1 HIS 81 HD1 HIS 81 8.915 5.117 -30.587 612 HD2 HIS 81 HD2 HIS 81 8.554 9.097 -29.263 613 HE1 HIS 81 HE1 HIS 81 10.482 5.351 -28.586 614 H HIS 82 H HIS 82 7.427 6.357 -34.225 615 HA HIS 82 HA HIS 82 9.208 4.023 -33.934 616 HB2 HIS 82 HB2 HIS 82 7.041 3.082 -34.702 617 HB3 HIS 82 HB3 HIS 82 7.035 4.198 -36.067 618 HD1 HIS 82 HD1 HIS 82 9.110 1.186 -34.754 619 HD2 HIS 82 HD2 HIS 82 8.321 3.419 -38.236 620 HE1 HIS 82 HE1 HIS 82 10.260 -0.045 -36.668 621 H HIS 83 H HIS 83 10.955 4.076 -35.343 622 HA HIS 83 HA HIS 83 11.337 6.441 -37.109 623 HB2 HIS 83 HB2 HIS 83 13.220 5.685 -34.841 624 HB3 HIS 83 HB3 HIS 83 13.394 7.032 -35.959 625 HD1 HIS 83 HD1 HIS 83 12.254 6.406 -32.555 626 HD2 HIS 83 HD2 HIS 83 11.087 8.866 -35.760 627 HE1 HIS 83 HE1 HIS 83 10.844 8.274 -31.539 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -20.313 -1.817 -4.977 2 H2 MET 1 H2 MET 1 -19.895 -0.342 -4.407 3 H3 MET 1 H3 MET 1 -19.591 -0.727 -5.966 4 HA MET 1 HA MET 1 -18.346 -1.981 -3.614 5 HB2 MET 1 HB2 MET 1 -18.684 -3.536 -5.516 6 HB3 MET 1 HB3 MET 1 -17.755 -2.473 -6.572 7 HG2 MET 1 HG2 MET 1 -16.615 -3.649 -4.008 8 HG3 MET 1 HG3 MET 1 -16.616 -4.535 -5.527 9 HE1 MET 1 HE1 MET 1 -13.999 -4.899 -5.115 10 HE2 MET 1 HE2 MET 1 -12.840 -3.562 -4.947 11 HE3 MET 1 HE3 MET 1 -14.041 -3.859 -3.671 12 H ALA 2 H ALA 2 -16.414 -1.138 -2.931 13 HA ALA 2 HA ALA 2 -14.951 0.920 -4.497 14 HB1 ALA 2 HB1 ALA 2 -15.021 2.508 -2.579 15 HB2 ALA 2 HB2 ALA 2 -16.705 2.180 -3.066 16 HB3 ALA 2 HB3 ALA 2 -15.976 1.388 -1.631 17 H THR 3 H THR 3 -13.094 1.589 -3.660 18 HA THR 3 HA THR 3 -11.493 -0.370 -2.172 19 HB THR 3 HB THR 3 -9.784 1.450 -2.450 20 HG1 THR 3 HG1 THR 3 -10.233 3.012 -4.047 21 HG21 THR 3 HG21 THR 3 -9.504 0.881 -4.894 22 HG22 THR 3 HG22 THR 3 -9.992 -0.526 -3.919 23 HG23 THR 3 HG23 THR 3 -11.210 0.326 -4.917 24 HA PRO 4 HA PRO 4 -12.112 1.699 1.582 25 HB2 PRO 4 HB2 PRO 4 -9.473 0.990 2.638 26 HB3 PRO 4 HB3 PRO 4 -11.112 0.365 3.031 27 HG2 PRO 4 HG2 PRO 4 -9.178 -1.108 1.592 28 HG3 PRO 4 HG3 PRO 4 -10.961 -1.348 1.492 29 HD2 PRO 4 HD2 PRO 4 -9.232 0.110 -0.449 30 HD3 PRO 4 HD3 PRO 4 -10.592 -1.009 -0.623 31 H TRP 5 H TRP 5 -12.156 3.661 0.427 32 HA TRP 5 HA TRP 5 -10.249 5.397 -0.382 33 HB2 TRP 5 HB2 TRP 5 -11.963 7.159 -0.100 34 HB3 TRP 5 HB3 TRP 5 -12.569 5.686 -0.842 35 HD1 TRP 5 HD1 TRP 5 -14.429 4.340 0.383 36 HE1 TRP 5 HE1 TRP 5 -15.914 4.747 2.437 37 HE3 TRP 5 HE3 TRP 5 -12.025 8.434 2.335 38 HZ2 TRP 5 HZ2 TRP 5 -16.000 6.551 4.682 39 HZ3 TRP 5 HZ3 TRP 5 -12.824 9.455 4.458 40 HH2 TRP 5 HH2 TRP 5 -14.797 8.523 5.638 41 H SER 6 H SER 6 -11.184 5.106 3.031 42 HA SER 6 HA SER 6 -9.906 7.485 3.962 43 HB2 SER 6 HB2 SER 6 -10.023 6.381 6.185 44 HB3 SER 6 HB3 SER 6 -11.553 6.334 5.288 45 HG SER 6 HG SER 6 -11.027 4.297 6.236 46 H GLY 7 H GLY 7 -8.498 4.459 2.953 47 HA2 GLY 7 HA2 GLY 7 -5.872 4.918 4.209 48 HA3 GLY 7 HA3 GLY 7 -6.329 3.631 3.092 49 H TYR 8 H TYR 8 -7.408 6.298 1.542 50 HA TYR 8 HA TYR 8 -4.902 6.907 0.130 51 HB2 TYR 8 HB2 TYR 8 -7.616 6.241 -1.068 52 HB3 TYR 8 HB3 TYR 8 -6.195 6.692 -1.984 53 HD1 TYR 8 HD2 TYR 8 -4.135 5.175 -1.947 54 HD2 TYR 8 HD1 TYR 8 -7.979 3.968 -0.412 55 HE1 TYR 8 HE2 TYR 8 -3.431 2.788 -2.060 56 HE2 TYR 8 HE1 TYR 8 -7.270 1.581 -0.508 57 HH TYR 8 HH TYR 8 -4.022 0.607 -1.676 58 H LEU 9 H LEU 9 -7.727 8.152 1.565 59 HA LEU 9 HA LEU 9 -8.615 10.170 0.050 60 HB2 LEU 9 HB2 LEU 9 -9.657 9.500 2.133 61 HB3 LEU 9 HB3 LEU 9 -8.269 10.052 3.072 62 HG LEU 9 HG LEU 9 -8.757 12.399 2.436 63 HD11 LEU 9 HD11 LEU 9 -10.815 13.007 1.321 64 HD12 LEU 9 HD12 LEU 9 -9.867 11.951 0.280 65 HD13 LEU 9 HD13 LEU 9 -11.267 11.278 1.141 66 HD21 LEU 9 HD21 LEU 9 -9.716 11.459 4.511 67 HD22 LEU 9 HD22 LEU 9 -10.789 12.669 3.787 68 HD23 LEU 9 HD23 LEU 9 -11.157 10.938 3.609 69 H ASP 10 H ASP 10 -5.932 10.614 2.343 70 HA ASP 10 HA ASP 10 -5.647 13.398 1.648 71 HB2 ASP 10 HB2 ASP 10 -5.234 12.322 3.920 72 HB3 ASP 10 HB3 ASP 10 -3.759 11.611 3.266 73 H ASP 11 H ASP 11 -5.064 11.151 -0.365 74 HA ASP 11 HA ASP 11 -2.795 12.543 -1.715 75 HB2 ASP 11 HB2 ASP 11 -2.060 10.297 -0.989 76 HB3 ASP 11 HB3 ASP 11 -3.431 9.578 -1.834 77 H VAL 12 H VAL 12 -5.789 10.692 -2.041 78 HA VAL 12 HA VAL 12 -6.204 11.327 -4.785 79 HB VAL 12 HB VAL 12 -7.892 10.088 -2.566 80 HG11 VAL 12 HG11 VAL 12 -9.406 9.228 -4.361 81 HG12 VAL 12 HG12 VAL 12 -9.530 10.970 -4.107 82 HG13 VAL 12 HG13 VAL 12 -8.626 10.338 -5.512 83 HG21 VAL 12 HG21 VAL 12 -5.871 8.845 -3.379 84 HG22 VAL 12 HG22 VAL 12 -7.382 7.992 -3.758 85 HG23 VAL 12 HG23 VAL 12 -6.519 8.896 -5.026 86 H SER 13 H SER 13 -7.940 12.388 -1.847 87 HA SER 13 HA SER 13 -9.443 14.443 -3.204 88 HB2 SER 13 HB2 SER 13 -10.211 13.442 -1.150 89 HB3 SER 13 HB3 SER 13 -8.793 14.089 -0.255 90 HG SER 13 HG SER 13 -9.576 16.161 -0.600 91 H ALA 14 H ALA 14 -6.394 14.224 -1.435 92 HA ALA 14 HA ALA 14 -6.000 16.912 -1.023 93 HB1 ALA 14 HB1 ALA 14 -3.941 14.723 -1.410 94 HB2 ALA 14 HB2 ALA 14 -3.628 16.297 -0.636 95 HB3 ALA 14 HB3 ALA 14 -4.775 15.164 0.110 96 H LYS 15 H LYS 15 -5.233 15.033 -3.960 97 HA LYS 15 HA LYS 15 -3.625 16.838 -5.355 98 HB2 LYS 15 HB2 LYS 15 -3.858 15.462 -7.110 99 HB3 LYS 15 HB3 LYS 15 -4.491 14.383 -5.857 100 HG2 LYS 15 HG2 LYS 15 -6.799 15.087 -6.497 101 HG3 LYS 15 HG3 LYS 15 -6.140 15.993 -7.857 102 HD2 LYS 15 HD2 LYS 15 -5.740 13.007 -7.394 103 HD3 LYS 15 HD3 LYS 15 -6.966 13.711 -8.457 104 HE2 LYS 15 HE2 LYS 15 -5.154 14.824 -9.781 105 HE3 LYS 15 HE3 LYS 15 -3.948 14.015 -8.772 106 HZ1 LYS 15 HZ1 LYS 15 -5.943 12.634 -10.490 107 HZ2 LYS 15 HZ2 LYS 15 -4.351 12.778 -10.815 108 HZ3 LYS 15 HZ3 LYS 15 -4.841 11.877 -9.546 109 H PHE 16 H PHE 16 -6.977 17.066 -4.684 110 HA PHE 16 HA PHE 16 -7.537 19.285 -6.483 111 HB2 PHE 16 HB2 PHE 16 -9.318 17.751 -4.574 112 HB3 PHE 16 HB3 PHE 16 -9.842 18.887 -5.776 113 HD1 PHE 16 HD2 PHE 16 -9.051 18.345 -8.294 114 HD2 PHE 16 HD1 PHE 16 -9.286 15.465 -5.102 115 HE1 PHE 16 HE2 PHE 16 -9.299 16.518 -9.964 116 HE2 PHE 16 HE1 PHE 16 -9.595 13.642 -6.767 117 HZ PHE 16 HZ PHE 16 -9.602 14.168 -9.201 118 H ASP 17 H ASP 17 -6.248 19.140 -3.396 119 HA ASP 17 HA ASP 17 -7.897 20.711 -1.868 120 HB2 ASP 17 HB2 ASP 17 -6.012 19.318 -1.088 121 HB3 ASP 17 HB3 ASP 17 -4.869 20.508 -1.717 122 H THR 18 H THR 18 -5.918 21.985 -4.421 123 HA THR 18 HA THR 18 -6.172 24.722 -3.427 124 HB THR 18 HB THR 18 -4.020 23.824 -4.288 125 HG1 THR 18 HG1 THR 18 -3.516 25.752 -5.297 126 HG21 THR 18 HG21 THR 18 -3.618 23.775 -6.681 127 HG22 THR 18 HG22 THR 18 -4.941 22.653 -6.306 128 HG23 THR 18 HG23 THR 18 -5.301 24.242 -7.019 129 H GLY 19 H GLY 19 -7.685 22.640 -5.811 130 HA2 GLY 19 HA2 GLY 19 -9.004 24.878 -7.258 131 HA3 GLY 19 HA3 GLY 19 -9.195 23.165 -7.594 132 H VAL 20 H VAL 20 -9.854 22.168 -5.055 133 HA VAL 20 HA VAL 20 -12.573 22.841 -4.580 134 HB VAL 20 HB VAL 20 -10.991 20.852 -3.777 135 HG11 VAL 20 HG11 VAL 20 -10.251 20.798 -1.579 136 HG12 VAL 20 HG12 VAL 20 -9.481 22.123 -2.456 137 HG13 VAL 20 HG13 VAL 20 -10.774 22.471 -1.272 138 HG21 VAL 20 HG21 VAL 20 -13.124 21.977 -1.900 139 HG22 VAL 20 HG22 VAL 20 -13.509 21.079 -3.360 140 HG23 VAL 20 HG23 VAL 20 -12.654 20.257 -2.046 141 H ASP 21 H ASP 21 -9.628 24.137 -3.280 142 HA ASP 21 HA ASP 21 -10.877 25.827 -1.433 143 HB2 ASP 21 HB2 ASP 21 -8.701 25.164 -1.053 144 HB3 ASP 21 HB3 ASP 21 -8.162 25.647 -2.639 145 H ASN 22 H ASN 22 -10.593 26.311 -4.903 146 HA ASN 22 HA ASN 22 -11.165 29.130 -4.703 147 HB2 ASN 22 HB2 ASN 22 -11.816 27.045 -6.884 148 HB3 ASN 22 HB3 ASN 22 -12.099 28.771 -7.053 149 HD21 ASN 22 HD22 ASN 22 -9.984 30.180 -6.542 150 HD22 ASN 22 HD21 ASN 22 -8.554 29.567 -7.356 151 H LEU 23 H LEU 23 -13.027 26.177 -4.441 152 HA LEU 23 HA LEU 23 -15.530 27.590 -4.371 153 HB2 LEU 23 HB2 LEU 23 -14.872 24.989 -5.057 154 HB3 LEU 23 HB3 LEU 23 -15.605 24.803 -3.486 155 HG LEU 23 HG LEU 23 -17.243 24.689 -5.242 156 HD11 LEU 23 HD11 LEU 23 -17.758 26.059 -3.080 157 HD12 LEU 23 HD12 LEU 23 -17.739 27.463 -4.139 158 HD13 LEU 23 HD13 LEU 23 -18.866 26.125 -4.440 159 HD21 LEU 23 HD21 LEU 23 -18.165 26.501 -6.558 160 HD22 LEU 23 HD22 LEU 23 -16.636 27.396 -6.312 161 HD23 LEU 23 HD23 LEU 23 -16.616 25.804 -7.127 162 H GLN 24 H GLN 24 -13.433 25.956 -2.033 163 HA GLN 24 HA GLN 24 -14.812 26.470 0.320 164 HB2 GLN 24 HB2 GLN 24 -12.569 25.167 -0.134 165 HB3 GLN 24 HB3 GLN 24 -11.819 26.753 0.192 166 HG2 GLN 24 HG2 GLN 24 -11.679 25.587 2.145 167 HG3 GLN 24 HG3 GLN 24 -12.961 26.790 2.394 168 HE21 GLN 24 HE22 GLN 24 -12.241 23.316 2.193 169 HE22 GLN 24 HE21 GLN 24 -13.860 22.796 2.638 170 H THR 25 H THR 25 -12.358 28.612 -1.265 171 HA THR 25 HA THR 25 -12.411 30.703 0.585 172 HB THR 25 HB THR 25 -10.829 30.315 -1.302 173 HG1 THR 25 HG1 THR 25 -10.388 32.523 -1.434 174 HG21 THR 25 HG21 THR 25 -11.087 31.339 -3.419 175 HG22 THR 25 HG22 THR 25 -12.389 30.195 -3.151 176 HG23 THR 25 HG23 THR 25 -12.715 31.942 -3.016 177 H GLN 26 H GLN 26 -14.367 30.183 -2.275 178 HA GLN 26 HA GLN 26 -16.132 32.357 -2.003 179 HB2 GLN 26 HB2 GLN 26 -15.920 29.872 -3.588 180 HB3 GLN 26 HB3 GLN 26 -17.570 30.172 -3.147 181 HG2 GLN 26 HG2 GLN 26 -17.545 32.388 -4.123 182 HG3 GLN 26 HG3 GLN 26 -15.793 32.290 -4.416 183 HE21 GLN 26 HE22 GLN 26 -15.162 30.179 -5.810 184 HE22 GLN 26 HE21 GLN 26 -16.208 29.980 -7.214 185 H VAL 27 H VAL 27 -16.752 29.001 -0.744 186 HA VAL 27 HA VAL 27 -19.158 29.777 0.468 187 HB VAL 27 HB VAL 27 -19.317 27.853 1.575 188 HG11 VAL 27 HG11 VAL 27 -17.230 26.731 -0.287 189 HG12 VAL 27 HG12 VAL 27 -18.832 26.121 0.102 190 HG13 VAL 27 HG13 VAL 27 -18.652 27.523 -0.988 191 HG21 VAL 27 HG21 VAL 27 -17.565 27.787 3.141 192 HG22 VAL 27 HG22 VAL 27 -17.644 26.253 2.285 193 HG23 VAL 27 HG23 VAL 27 -16.369 27.413 1.874 194 H THR 28 H THR 28 -15.824 29.847 1.647 195 HA THR 28 HA THR 28 -16.394 30.578 4.312 196 HB THR 28 HB THR 28 -13.935 31.334 2.766 197 HG1 THR 28 HG1 THR 28 -14.186 29.094 2.682 198 HG21 THR 28 HG21 THR 28 -12.934 31.006 5.105 199 HG22 THR 28 HG22 THR 28 -13.919 32.465 4.780 200 HG23 THR 28 HG23 THR 28 -14.643 31.096 5.672 201 H GLU 29 H GLU 29 -16.019 32.530 1.334 202 HA GLU 29 HA GLU 29 -16.062 34.925 2.850 203 HB2 GLU 29 HB2 GLU 29 -16.369 34.418 -0.073 204 HB3 GLU 29 HB3 GLU 29 -16.501 36.000 0.667 205 HG2 GLU 29 HG2 GLU 29 -14.336 35.778 1.774 206 HG3 GLU 29 HG3 GLU 29 -14.044 34.266 0.974 207 H ALA 30 H ALA 30 -18.617 32.892 1.349 208 HA ALA 30 HA ALA 30 -20.839 34.598 1.940 209 HB1 ALA 30 HB1 ALA 30 -22.126 32.536 1.898 210 HB2 ALA 30 HB2 ALA 30 -20.995 32.563 0.515 211 HB3 ALA 30 HB3 ALA 30 -20.657 31.551 1.934 212 H LEU 31 H LEU 31 -19.072 32.177 3.797 213 HA LEU 31 HA LEU 31 -20.371 32.541 6.275 214 HB2 LEU 31 HB2 LEU 31 -18.935 30.602 5.534 215 HB3 LEU 31 HB3 LEU 31 -17.558 31.673 5.668 216 HG LEU 31 HG LEU 31 -18.310 32.035 8.145 217 HD11 LEU 31 HD11 LEU 31 -19.560 29.340 7.607 218 HD12 LEU 31 HD12 LEU 31 -19.586 30.316 9.110 219 HD13 LEU 31 HD13 LEU 31 -20.532 30.820 7.687 220 HD21 LEU 31 HD21 LEU 31 -16.281 31.048 7.400 221 HD22 LEU 31 HD22 LEU 31 -16.978 30.141 8.758 222 HD23 LEU 31 HD23 LEU 31 -17.094 29.504 7.048 223 H ASP 32 H ASP 32 -17.550 34.316 4.823 224 HA ASP 32 HA ASP 32 -16.900 35.823 7.078 225 HB2 ASP 32 HB2 ASP 32 -15.496 35.911 5.155 226 HB3 ASP 32 HB3 ASP 32 -16.762 36.515 4.110 227 H LYS 33 H LYS 33 -19.628 36.156 4.831 228 HA LYS 33 HA LYS 33 -20.794 38.408 6.127 229 HB2 LYS 33 HB2 LYS 33 -22.429 36.531 4.577 230 HB3 LYS 33 HB3 LYS 33 -22.481 38.298 4.767 231 HG2 LYS 33 HG2 LYS 33 -20.934 36.546 2.924 232 HG3 LYS 33 HG3 LYS 33 -21.989 37.876 2.536 233 HD2 LYS 33 HD2 LYS 33 -20.240 39.426 3.548 234 HD3 LYS 33 HD3 LYS 33 -19.129 38.020 3.575 235 HE2 LYS 33 HE2 LYS 33 -19.442 37.630 1.211 236 HE3 LYS 33 HE3 LYS 33 -20.502 39.049 1.090 237 HZ1 LYS 33 HZ1 LYS 33 -18.185 39.572 0.471 238 HZ2 LYS 33 HZ2 LYS 33 -18.625 40.434 1.785 239 HZ3 LYS 33 HZ3 LYS 33 -17.654 39.134 1.955 240 H LEU 34 H LEU 34 -21.342 34.881 6.320 241 HA LEU 34 HA LEU 34 -23.463 35.078 8.138 242 HB2 LEU 34 HB2 LEU 34 -22.544 33.220 6.557 243 HB3 LEU 34 HB3 LEU 34 -21.989 32.513 8.096 244 HG LEU 34 HG LEU 34 -24.835 33.413 7.436 245 HD11 LEU 34 HD11 LEU 34 -25.347 31.111 7.060 246 HD12 LEU 34 HD12 LEU 34 -24.077 31.726 6.004 247 HD13 LEU 34 HD13 LEU 34 -23.639 30.665 7.375 248 HD21 LEU 34 HD21 LEU 34 -24.185 31.298 9.498 249 HD22 LEU 34 HD22 LEU 34 -24.400 32.991 9.878 250 HD23 LEU 34 HD23 LEU 34 -25.745 32.117 9.099 251 H ALA 35 H ALA 35 -20.054 35.121 8.680 252 HA ALA 35 HA ALA 35 -20.171 34.789 11.552 253 HB1 ALA 35 HB1 ALA 35 -17.954 35.681 9.673 254 HB2 ALA 35 HB2 ALA 35 -17.772 35.223 11.386 255 HB3 ALA 35 HB3 ALA 35 -18.294 34.011 10.185 256 H ALA 36 H ALA 36 -20.600 37.396 9.228 257 HA ALA 36 HA ALA 36 -20.199 39.653 11.009 258 HB1 ALA 36 HB1 ALA 36 -20.800 40.991 9.067 259 HB2 ALA 36 HB2 ALA 36 -19.600 39.772 8.629 260 HB3 ALA 36 HB3 ALA 36 -21.296 39.564 8.151 261 H LYS 37 H LYS 37 -23.084 38.320 9.402 262 HA LYS 37 HA LYS 37 -24.948 39.559 11.436 263 HB2 LYS 37 HB2 LYS 37 -24.561 40.786 9.084 264 HB3 LYS 37 HB3 LYS 37 -25.417 39.412 8.479 265 HG2 LYS 37 HG2 LYS 37 -27.357 40.085 10.026 266 HG3 LYS 37 HG3 LYS 37 -26.433 41.566 10.362 267 HD2 LYS 37 HD2 LYS 37 -26.356 42.055 7.908 268 HD3 LYS 37 HD3 LYS 37 -27.251 40.559 7.592 269 HE2 LYS 37 HE2 LYS 37 -29.054 41.476 9.175 270 HE3 LYS 37 HE3 LYS 37 -28.175 43.010 9.136 271 HZ1 LYS 37 HZ1 LYS 37 -28.508 42.982 6.673 272 HZ2 LYS 37 HZ2 LYS 37 -29.400 41.604 6.819 273 HZ3 LYS 37 HZ3 LYS 37 -29.936 43.003 7.472 274 HA PRO 38 HA PRO 38 -24.661 35.075 10.049 275 HB2 PRO 38 HB2 PRO 38 -25.874 34.172 12.599 276 HB3 PRO 38 HB3 PRO 38 -24.390 33.699 11.745 277 HG2 PRO 38 HG2 PRO 38 -24.754 35.751 13.825 278 HG3 PRO 38 HG3 PRO 38 -23.217 35.102 13.180 279 HD2 PRO 38 HD2 PRO 38 -24.193 37.663 12.709 280 HD3 PRO 38 HD3 PRO 38 -23.051 36.832 11.618 281 H SER 39 H SER 39 -27.806 34.916 11.761 282 HA SER 39 HA SER 39 -28.536 33.234 9.588 283 HB2 SER 39 HB2 SER 39 -30.558 32.792 10.769 284 HB3 SER 39 HB3 SER 39 -29.122 32.576 11.748 285 HG SER 39 HG SER 39 -30.788 33.735 12.890 286 H ASP 40 H ASP 40 -28.294 36.367 9.344 287 HA ASP 40 HA ASP 40 -30.595 37.416 8.092 288 HB2 ASP 40 HB2 ASP 40 -28.646 38.812 8.393 289 HB3 ASP 40 HB3 ASP 40 -27.666 37.770 7.428 290 HA PRO 41 HA PRO 41 -30.712 33.795 5.578 291 HB2 PRO 41 HB2 PRO 41 -33.093 34.157 4.222 292 HB3 PRO 41 HB3 PRO 41 -32.958 33.660 5.945 293 HG2 PRO 41 HG2 PRO 41 -33.381 36.447 4.749 294 HG3 PRO 41 HG3 PRO 41 -34.318 35.683 6.090 295 HD2 PRO 41 HD2 PRO 41 -32.294 37.417 6.567 296 HD3 PRO 41 HD3 PRO 41 -32.566 35.991 7.616 297 H ALA 42 H ALA 42 -30.858 36.991 4.078 298 HA ALA 42 HA ALA 42 -30.580 36.090 1.409 299 HB1 ALA 42 HB1 ALA 42 -30.057 38.430 0.975 300 HB2 ALA 42 HB2 ALA 42 -31.391 38.281 2.157 301 HB3 ALA 42 HB3 ALA 42 -29.757 38.708 2.711 302 H LEU 43 H LEU 43 -28.084 36.976 3.900 303 HA LEU 43 HA LEU 43 -25.913 36.006 2.194 304 HB2 LEU 43 HB2 LEU 43 -24.481 36.728 3.867 305 HB3 LEU 43 HB3 LEU 43 -25.748 37.947 3.758 306 HG LEU 43 HG LEU 43 -26.754 36.600 5.800 307 HD11 LEU 43 HD11 LEU 43 -24.869 34.796 5.655 308 HD12 LEU 43 HD12 LEU 43 -23.827 36.121 6.072 309 HD13 LEU 43 HD13 LEU 43 -25.125 35.642 7.207 310 HD21 LEU 43 HD21 LEU 43 -25.958 38.824 6.215 311 HD22 LEU 43 HD22 LEU 43 -25.189 37.718 7.405 312 HD23 LEU 43 HD23 LEU 43 -24.249 38.298 6.020 313 H LEU 44 H LEU 44 -27.617 34.651 5.087 314 HA LEU 44 HA LEU 44 -25.936 32.296 5.275 315 HB2 LEU 44 HB2 LEU 44 -27.007 32.546 7.210 316 HB3 LEU 44 HB3 LEU 44 -28.340 33.338 6.597 317 HG LEU 44 HG LEU 44 -29.118 31.494 7.692 318 HD11 LEU 44 HD11 LEU 44 -30.121 31.745 5.261 319 HD12 LEU 44 HD12 LEU 44 -29.286 30.195 4.969 320 HD13 LEU 44 HD13 LEU 44 -30.499 30.315 6.240 321 HD21 LEU 44 HD21 LEU 44 -28.505 29.185 7.202 322 HD22 LEU 44 HD22 LEU 44 -27.230 29.765 6.091 323 HD23 LEU 44 HD23 LEU 44 -27.204 30.178 7.869 324 H ALA 45 H ALA 45 -28.898 32.933 3.259 325 HA ALA 45 HA ALA 45 -28.747 30.228 2.517 326 HB1 ALA 45 HB1 ALA 45 -30.506 30.699 0.847 327 HB2 ALA 45 HB2 ALA 45 -30.894 31.451 2.403 328 HB3 ALA 45 HB3 ALA 45 -30.261 32.446 1.062 329 H ALA 46 H ALA 46 -27.222 33.146 1.197 330 HA ALA 46 HA ALA 46 -26.213 31.920 -1.167 331 HB1 ALA 46 HB1 ALA 46 -25.031 34.186 0.488 332 HB2 ALA 46 HB2 ALA 46 -24.601 33.709 -1.181 333 HB3 ALA 46 HB3 ALA 46 -26.221 34.347 -0.831 334 H TYR 47 H TYR 47 -25.065 31.998 2.234 335 HA TYR 47 HA TYR 47 -22.649 30.541 1.890 336 HB2 TYR 47 HB2 TYR 47 -23.410 31.723 4.003 337 HB3 TYR 47 HB3 TYR 47 -24.611 30.576 4.148 338 HD1 TYR 47 HD2 TYR 47 -20.898 30.276 3.668 339 HD2 TYR 47 HD1 TYR 47 -24.459 28.785 5.574 340 HE1 TYR 47 HE2 TYR 47 -19.567 28.470 4.728 341 HE2 TYR 47 HE1 TYR 47 -23.113 27.021 6.698 342 HH TYR 47 HH TYR 47 -19.594 26.653 6.131 343 H GLN 48 H GLN 48 -25.874 29.405 2.826 344 HA GLN 48 HA GLN 48 -25.033 26.777 2.779 345 HB2 GLN 48 HB2 GLN 48 -27.157 26.096 3.394 346 HB3 GLN 48 HB3 GLN 48 -26.884 27.697 4.042 347 HG2 GLN 48 HG2 GLN 48 -28.938 28.003 3.321 348 HG3 GLN 48 HG3 GLN 48 -28.075 28.430 1.843 349 HE21 GLN 48 HE22 GLN 48 -29.882 25.733 3.424 350 HE22 GLN 48 HE21 GLN 48 -30.338 24.976 1.904 351 H SER 49 H SER 49 -26.199 28.771 0.229 352 HA SER 49 HA SER 49 -26.453 26.834 -1.825 353 HB2 SER 49 HB2 SER 49 -25.611 29.820 -2.004 354 HB3 SER 49 HB3 SER 49 -25.863 28.801 -3.403 355 HG SER 49 HG SER 49 -27.764 29.503 -1.412 356 H LYS 50 H LYS 50 -23.659 28.886 -0.885 357 HA LYS 50 HA LYS 50 -21.896 27.734 -2.786 358 HB2 LYS 50 HB2 LYS 50 -21.392 29.399 -0.237 359 HB3 LYS 50 HB3 LYS 50 -20.151 28.942 -1.381 360 HG2 LYS 50 HG2 LYS 50 -22.484 30.128 -2.770 361 HG3 LYS 50 HG3 LYS 50 -21.742 31.195 -1.592 362 HD2 LYS 50 HD2 LYS 50 -20.783 31.560 -3.707 363 HD3 LYS 50 HD3 LYS 50 -19.583 30.895 -2.556 364 HE2 LYS 50 HE2 LYS 50 -19.032 29.330 -4.054 365 HE3 LYS 50 HE3 LYS 50 -20.611 28.643 -3.815 366 HZ1 LYS 50 HZ1 LYS 50 -21.379 30.213 -5.654 367 HZ2 LYS 50 HZ2 LYS 50 -19.808 30.648 -5.881 368 HZ3 LYS 50 HZ3 LYS 50 -20.272 29.123 -6.176 369 H LEU 51 H LEU 51 -22.489 26.920 0.549 370 HA LEU 51 HA LEU 51 -20.686 24.818 1.089 371 HB2 LEU 51 HB2 LEU 51 -21.954 25.835 2.762 372 HB3 LEU 51 HB3 LEU 51 -23.413 25.838 1.822 373 HG LEU 51 HG LEU 51 -22.388 23.514 3.432 374 HD11 LEU 51 HD11 LEU 51 -23.538 25.740 4.379 375 HD12 LEU 51 HD12 LEU 51 -25.021 25.021 3.741 376 HD13 LEU 51 HD13 LEU 51 -24.078 24.144 4.954 377 HD21 LEU 51 HD21 LEU 51 -24.880 23.773 1.668 378 HD22 LEU 51 HD22 LEU 51 -23.649 22.487 1.611 379 HD23 LEU 51 HD23 LEU 51 -24.737 22.599 2.988 380 H SER 52 H SER 52 -23.789 24.806 -0.697 381 HA SER 52 HA SER 52 -23.552 22.034 -1.404 382 HB2 SER 52 HB2 SER 52 -25.281 24.134 -2.725 383 HB3 SER 52 HB3 SER 52 -25.394 22.372 -2.840 384 HG SER 52 HG SER 52 -25.897 23.995 -0.552 385 H GLU 53 H GLU 53 -22.866 25.112 -3.153 386 HA GLU 53 HA GLU 53 -22.162 24.030 -5.622 387 HB2 GLU 53 HB2 GLU 53 -20.955 26.380 -4.263 388 HB3 GLU 53 HB3 GLU 53 -20.645 25.819 -5.921 389 HG2 GLU 53 HG2 GLU 53 -23.087 27.191 -4.910 390 HG3 GLU 53 HG3 GLU 53 -21.781 27.704 -6.012 391 H TYR 54 H TYR 54 -20.252 24.357 -2.663 392 HA TYR 54 HA TYR 54 -17.780 23.494 -3.766 393 HB2 TYR 54 HB2 TYR 54 -17.229 24.512 -1.854 394 HB3 TYR 54 HB3 TYR 54 -18.799 24.303 -1.177 395 HD1 TYR 54 HD2 TYR 54 -15.568 22.646 -1.902 396 HD2 TYR 54 HD1 TYR 54 -19.097 22.697 0.573 397 HE1 TYR 54 HE2 TYR 54 -14.554 20.974 -0.448 398 HE2 TYR 54 HE1 TYR 54 -18.118 21.002 2.041 399 HH TYR 54 HH TYR 54 -14.780 19.689 1.493 400 H ASN 55 H ASN 55 -20.441 21.697 -2.207 401 HA ASN 55 HA ASN 55 -19.144 19.200 -2.535 402 HB2 ASN 55 HB2 ASN 55 -21.482 20.093 -1.278 403 HB3 ASN 55 HB3 ASN 55 -22.057 19.066 -2.589 404 HD21 ASN 55 HD22 ASN 55 -22.104 18.624 0.376 405 HD22 ASN 55 HD21 ASN 55 -21.285 17.082 0.579 406 H LEU 56 H LEU 56 -21.170 21.182 -4.735 407 HA LEU 56 HA LEU 56 -21.411 19.288 -6.886 408 HB2 LEU 56 HB2 LEU 56 -21.644 22.241 -6.515 409 HB3 LEU 56 HB3 LEU 56 -21.456 21.713 -8.131 410 HG LEU 56 HG LEU 56 -23.527 20.691 -8.253 411 HD11 LEU 56 HD11 LEU 56 -23.579 19.309 -6.212 412 HD12 LEU 56 HD12 LEU 56 -23.841 20.762 -5.226 413 HD13 LEU 56 HD13 LEU 56 -25.066 20.243 -6.396 414 HD21 LEU 56 HD21 LEU 56 -23.920 22.993 -6.291 415 HD22 LEU 56 HD22 LEU 56 -23.502 23.206 -7.990 416 HD23 LEU 56 HD23 LEU 56 -25.053 22.447 -7.550 417 H TYR 57 H TYR 57 -18.970 21.804 -6.127 418 HA TYR 57 HA TYR 57 -17.224 21.322 -8.256 419 HB2 TYR 57 HB2 TYR 57 -16.693 23.161 -7.036 420 HB3 TYR 57 HB3 TYR 57 -16.795 22.354 -5.489 421 HD1 TYR 57 HD1 TYR 57 -15.130 20.604 -4.869 422 HD2 TYR 57 HD2 TYR 57 -14.620 23.111 -8.338 423 HE1 TYR 57 HE1 TYR 57 -12.988 19.515 -5.297 424 HE2 TYR 57 HE2 TYR 57 -12.345 22.164 -8.680 425 HH TYR 57 HH TYR 57 -10.870 20.577 -8.077 426 H ARG 58 H ARG 58 -17.578 19.692 -5.142 427 HA ARG 58 HA ARG 58 -15.749 17.574 -5.425 428 HB2 ARG 58 HB2 ARG 58 -17.502 18.586 -3.521 429 HB3 ARG 58 HB3 ARG 58 -18.178 17.008 -3.834 430 HG2 ARG 58 HG2 ARG 58 -16.850 16.666 -2.033 431 HG3 ARG 58 HG3 ARG 58 -15.746 16.156 -3.340 432 HD2 ARG 58 HD2 ARG 58 -14.619 18.350 -3.223 433 HD3 ARG 58 HD3 ARG 58 -15.808 18.935 -2.078 434 HE ARG 58 HE ARG 58 -14.970 17.613 -0.347 435 HH11 ARG 58 HH21 ARG 58 -12.801 17.091 -3.149 436 HH12 ARG 58 HH22 ARG 58 -11.642 16.335 -2.075 437 HH21 ARG 58 HH12 ARG 58 -13.367 16.601 0.788 438 HH22 ARG 58 HH11 ARG 58 -11.941 16.050 -0.066 439 H ASN 59 H ASN 59 -19.153 17.781 -6.356 440 HA ASN 59 HA ASN 59 -19.566 15.110 -7.131 441 HB2 ASN 59 HB2 ASN 59 -21.361 16.902 -6.699 442 HB3 ASN 59 HB3 ASN 59 -20.980 17.540 -8.292 443 HD21 ASN 59 HD22 ASN 59 -22.568 16.923 -9.715 444 HD22 ASN 59 HD21 ASN 59 -23.265 15.311 -9.752 445 H ALA 60 H ALA 60 -18.714 17.972 -9.038 446 HA ALA 60 HA ALA 60 -18.175 16.743 -11.539 447 HB1 ALA 60 HB1 ALA 60 -17.068 19.263 -10.186 448 HB2 ALA 60 HB2 ALA 60 -17.018 18.917 -11.934 449 HB3 ALA 60 HB3 ALA 60 -18.577 19.182 -11.087 450 H GLN 61 H GLN 61 -16.089 17.402 -8.739 451 HA GLN 61 HA GLN 61 -13.886 15.869 -9.675 452 HB2 GLN 61 HB2 GLN 61 -13.693 17.767 -8.341 453 HB3 GLN 61 HB3 GLN 61 -14.582 16.977 -7.014 454 HG2 GLN 61 HG2 GLN 61 -12.309 15.325 -7.805 455 HG3 GLN 61 HG3 GLN 61 -11.776 16.982 -7.547 456 HE21 GLN 61 HE22 GLN 61 -13.090 14.148 -5.964 457 HE22 GLN 61 HE21 GLN 61 -12.882 14.739 -4.315 458 H SER 62 H SER 62 -16.515 14.622 -9.506 459 HA SER 62 HA SER 62 -15.509 11.998 -8.829 460 HB2 SER 62 HB2 SER 62 -16.937 12.806 -6.928 461 HB3 SER 62 HB3 SER 62 -18.308 12.812 -8.060 462 HG SER 62 HG SER 62 -18.122 10.839 -6.836 463 H ASN 63 H ASN 63 -16.150 13.870 -11.166 464 HA ASN 63 HA ASN 63 -17.473 11.937 -12.904 465 HB2 ASN 63 HB2 ASN 63 -18.519 14.277 -12.344 466 HB3 ASN 63 HB3 ASN 63 -17.314 14.941 -13.409 467 HD21 ASN 63 HD22 ASN 63 -20.094 15.180 -13.906 468 HD22 ASN 63 HD21 ASN 63 -20.438 14.268 -15.368 469 H THR 64 H THR 64 -15.119 14.574 -12.908 470 HA THR 64 HA THR 64 -13.459 13.899 -15.010 471 HB THR 64 HB THR 64 -13.385 15.883 -13.742 472 HG1 THR 64 HG1 THR 64 -11.195 16.185 -13.654 473 HG21 THR 64 HG21 THR 64 -11.934 14.569 -11.449 474 HG22 THR 64 HG22 THR 64 -12.689 16.176 -11.540 475 HG23 THR 64 HG23 THR 64 -13.708 14.725 -11.465 476 H VAL 65 H VAL 65 -13.320 12.740 -11.793 477 HA VAL 65 HA VAL 65 -11.207 10.964 -11.705 478 HB VAL 65 HB VAL 65 -13.927 10.445 -10.488 479 HG11 VAL 65 HG11 VAL 65 -11.960 8.935 -9.908 480 HG12 VAL 65 HG12 VAL 65 -11.108 10.389 -9.312 481 HG13 VAL 65 HG13 VAL 65 -12.583 9.831 -8.502 482 HG21 VAL 65 HG21 VAL 65 -13.839 12.754 -10.184 483 HG22 VAL 65 HG22 VAL 65 -13.312 12.024 -8.662 484 HG23 VAL 65 HG23 VAL 65 -12.103 12.733 -9.753 485 H LYS 66 H LYS 66 -14.514 10.396 -12.767 486 HA LYS 66 HA LYS 66 -14.161 7.707 -13.771 487 HB2 LYS 66 HB2 LYS 66 -16.418 9.691 -13.426 488 HB3 LYS 66 HB3 LYS 66 -16.638 8.317 -14.508 489 HG2 LYS 66 HG2 LYS 66 -17.582 7.749 -12.439 490 HG3 LYS 66 HG3 LYS 66 -16.132 6.763 -12.620 491 HD2 LYS 66 HD2 LYS 66 -14.949 8.025 -10.954 492 HD3 LYS 66 HD3 LYS 66 -16.108 9.361 -11.048 493 HE2 LYS 66 HE2 LYS 66 -17.892 7.735 -10.215 494 HE3 LYS 66 HE3 LYS 66 -16.586 6.590 -9.889 495 HZ1 LYS 66 HZ1 LYS 66 -17.114 7.859 -7.911 496 HZ2 LYS 66 HZ2 LYS 66 -15.622 8.306 -8.388 497 HZ3 LYS 66 HZ3 LYS 66 -16.915 9.290 -8.652 498 H VAL 67 H VAL 67 -13.147 10.569 -15.011 499 HA VAL 67 HA VAL 67 -13.467 9.816 -17.814 500 HB VAL 67 HB VAL 67 -13.087 12.388 -16.340 501 HG11 VAL 67 HG11 VAL 67 -12.803 13.598 -18.390 502 HG12 VAL 67 HG12 VAL 67 -11.411 12.607 -17.956 503 HG13 VAL 67 HG13 VAL 67 -12.499 12.018 -19.252 504 HG21 VAL 67 HG21 VAL 67 -15.266 11.336 -16.798 505 HG22 VAL 67 HG22 VAL 67 -15.060 12.996 -17.411 506 HG23 VAL 67 HG23 VAL 67 -14.958 11.574 -18.527 507 H PHE 68 H PHE 68 -11.007 10.654 -15.368 508 HA PHE 68 HA PHE 68 -8.786 9.981 -17.030 509 HB2 PHE 68 HB2 PHE 68 -9.303 9.860 -14.041 510 HB3 PHE 68 HB3 PHE 68 -7.713 9.534 -14.771 511 HD1 PHE 68 HD2 PHE 68 -6.963 11.497 -16.538 512 HD2 PHE 68 HD1 PHE 68 -9.541 12.000 -13.118 513 HE1 PHE 68 HE2 PHE 68 -6.453 13.926 -16.505 514 HE2 PHE 68 HE1 PHE 68 -9.072 14.432 -13.117 515 HZ PHE 68 HZ PHE 68 -7.509 15.399 -14.798 516 H LYS 69 H LYS 69 -11.213 8.093 -15.289 517 HA LYS 69 HA LYS 69 -10.231 5.474 -15.676 518 HB2 LYS 69 HB2 LYS 69 -12.237 5.830 -14.355 519 HB3 LYS 69 HB3 LYS 69 -12.961 6.832 -15.589 520 HG2 LYS 69 HG2 LYS 69 -12.537 3.950 -16.300 521 HG3 LYS 69 HG3 LYS 69 -13.790 4.330 -15.127 522 HD2 LYS 69 HD2 LYS 69 -15.109 5.527 -16.612 523 HD3 LYS 69 HD3 LYS 69 -13.781 5.975 -17.661 524 HE2 LYS 69 HE2 LYS 69 -13.567 3.566 -18.375 525 HE3 LYS 69 HE3 LYS 69 -15.021 3.207 -17.433 526 HZ1 LYS 69 HZ1 LYS 69 -16.214 4.832 -18.848 527 HZ2 LYS 69 HZ2 LYS 69 -14.869 5.096 -19.749 528 HZ3 LYS 69 HZ3 LYS 69 -15.580 3.629 -19.749 529 H ASP 70 H ASP 70 -11.740 7.731 -17.929 530 HA ASP 70 HA ASP 70 -11.852 5.890 -20.111 531 HB2 ASP 70 HB2 ASP 70 -13.282 8.110 -19.493 532 HB3 ASP 70 HB3 ASP 70 -12.182 8.750 -20.717 533 H ILE 71 H ILE 71 -9.657 8.450 -19.106 534 HA ILE 71 HA ILE 71 -7.982 8.155 -21.355 535 HB ILE 71 HB ILE 71 -8.068 9.930 -19.299 536 HG12 ILE 71 HG12 ILE 71 -7.017 10.103 -21.614 537 HG13 ILE 71 HG13 ILE 71 -6.287 11.064 -20.332 538 HG21 ILE 71 HG21 ILE 71 -5.642 8.258 -18.535 539 HG22 ILE 71 HG22 ILE 71 -5.820 9.981 -18.162 540 HG23 ILE 71 HG23 ILE 71 -6.940 8.837 -17.502 541 HD11 ILE 71 HD11 ILE 71 -5.228 8.320 -21.061 542 HD12 ILE 71 HD12 ILE 71 -4.638 9.825 -21.823 543 HD13 ILE 71 HD13 ILE 71 -4.459 9.556 -20.071 544 H ASP 72 H ASP 72 -7.949 6.533 -18.223 545 HA ASP 72 HA ASP 72 -5.881 4.714 -18.800 546 HB2 ASP 72 HB2 ASP 72 -6.685 5.214 -16.576 547 HB3 ASP 72 HB3 ASP 72 -8.273 4.647 -17.008 548 H ALA 73 H ALA 73 -9.377 4.422 -19.525 549 HA ALA 73 HA ALA 73 -9.238 1.845 -20.664 550 HB1 ALA 73 HB1 ALA 73 -11.029 4.164 -21.518 551 HB2 ALA 73 HB2 ALA 73 -11.300 2.443 -21.837 552 HB3 ALA 73 HB3 ALA 73 -11.351 3.048 -20.171 553 H ALA 74 H ALA 74 -8.261 5.014 -22.061 554 HA ALA 74 HA ALA 74 -7.606 3.948 -24.622 555 HB1 ALA 74 HB1 ALA 74 -8.031 6.372 -24.130 556 HB2 ALA 74 HB2 ALA 74 -6.471 6.435 -23.291 557 HB3 ALA 74 HB3 ALA 74 -6.522 6.066 -25.019 558 H ILE 75 H ILE 75 -5.735 4.289 -21.600 559 HA ILE 75 HA ILE 75 -3.265 3.320 -22.564 560 HB ILE 75 HB ILE 75 -4.376 2.928 -19.768 561 HG12 ILE 75 HG12 ILE 75 -2.457 5.045 -20.815 562 HG13 ILE 75 HG13 ILE 75 -4.155 5.302 -20.644 563 HG21 ILE 75 HG21 ILE 75 -2.010 2.637 -19.095 564 HG22 ILE 75 HG22 ILE 75 -2.515 1.368 -20.193 565 HG23 ILE 75 HG23 ILE 75 -1.516 2.707 -20.800 566 HD11 ILE 75 HD11 ILE 75 -3.122 6.253 -18.714 567 HD12 ILE 75 HD12 ILE 75 -3.842 4.740 -18.130 568 HD13 ILE 75 HD13 ILE 75 -2.101 4.832 -18.452 569 H LEU 76 H LEU 76 -6.136 1.611 -21.334 570 HA LEU 76 HA LEU 76 -5.313 -1.099 -21.702 571 HB2 LEU 76 HB2 LEU 76 -7.844 0.428 -21.350 572 HB3 LEU 76 HB3 LEU 76 -8.029 -1.111 -22.154 573 HG LEU 76 HG LEU 76 -7.168 -2.297 -20.287 574 HD11 LEU 76 HD11 LEU 76 -6.648 0.349 -18.882 575 HD12 LEU 76 HD12 LEU 76 -6.511 -1.261 -18.154 576 HD13 LEU 76 HD13 LEU 76 -5.402 -0.786 -19.443 577 HD21 LEU 76 HD21 LEU 76 -8.853 -1.781 -18.602 578 HD22 LEU 76 HD22 LEU 76 -9.076 -0.157 -19.288 579 HD23 LEU 76 HD23 LEU 76 -9.536 -1.596 -20.227 580 H GLU 77 H GLU 77 -7.021 1.074 -24.088 581 HA GLU 77 HA GLU 77 -6.875 -0.740 -26.242 582 HB2 GLU 77 HB2 GLU 77 -6.804 2.298 -26.252 583 HB3 GLU 77 HB3 GLU 77 -6.889 1.310 -27.707 584 HG2 GLU 77 HG2 GLU 77 -8.988 0.269 -26.885 585 HG3 GLU 77 HG3 GLU 77 -8.963 1.327 -25.482 586 H HIS 78 H HIS 78 -4.342 1.338 -24.919 587 HA HIS 78 HA HIS 78 -2.496 1.059 -27.091 588 HB2 HIS 78 HB2 HIS 78 -2.701 2.884 -25.230 589 HB3 HIS 78 HB3 HIS 78 -1.758 1.788 -24.242 590 HD1 HIS 78 HD1 HIS 78 -1.412 3.602 -27.671 591 HD2 HIS 78 HD2 HIS 78 0.838 1.983 -24.503 592 HE1 HIS 78 HE1 HIS 78 1.020 4.208 -28.142 593 H HIS 79 H HIS 79 -3.385 -1.405 -24.974 594 HA HIS 79 HA HIS 79 -0.931 -2.559 -24.191 595 HB2 HIS 79 HB2 HIS 79 -2.131 -4.508 -23.691 596 HB3 HIS 79 HB3 HIS 79 -3.271 -3.200 -23.430 597 HD1 HIS 79 HD1 HIS 79 -5.227 -2.984 -25.406 598 HD2 HIS 79 HD2 HIS 79 -2.801 -6.409 -25.383 599 HE1 HIS 79 HE1 HIS 79 -6.330 -4.650 -27.009 600 H HIS 80 H HIS 80 0.171 -4.484 -24.950 601 HA HIS 80 HA HIS 80 0.903 -4.531 -27.716 602 HB2 HIS 80 HB2 HIS 80 1.276 -6.617 -25.530 603 HB3 HIS 80 HB3 HIS 80 2.065 -6.640 -27.105 604 HD1 HIS 80 HD1 HIS 80 3.754 -4.395 -27.558 605 HD2 HIS 80 HD2 HIS 80 2.540 -5.317 -23.633 606 HE1 HIS 80 HE1 HIS 80 5.358 -3.163 -26.007 607 H HIS 81 H HIS 81 -0.569 -4.981 -29.272 608 HA HIS 81 HA HIS 81 -2.954 -6.442 -28.920 609 HB2 HIS 81 HB2 HIS 81 -1.402 -5.712 -31.433 610 HB3 HIS 81 HB3 HIS 81 -3.003 -6.439 -31.448 611 HD1 HIS 81 HD1 HIS 81 -2.497 -3.656 -28.836 612 HD2 HIS 81 HD2 HIS 81 -3.885 -4.268 -32.771 613 HE1 HIS 81 HE1 HIS 81 -3.772 -1.562 -29.479 614 H HIS 82 H HIS 82 -3.648 -8.453 -29.383 615 HA HIS 82 HA HIS 82 -1.861 -10.547 -30.494 616 HB2 HIS 82 HB2 HIS 82 -3.219 -10.599 -27.766 617 HB3 HIS 82 HB3 HIS 82 -2.766 -12.065 -28.619 618 HD1 HIS 82 HD1 HIS 82 -0.966 -8.981 -27.064 619 HD2 HIS 82 HD2 HIS 82 -0.324 -12.924 -28.406 620 HE1 HIS 82 HE1 HIS 82 1.378 -9.616 -26.316 621 H HIS 83 H HIS 83 -3.050 -12.474 -31.123 622 HA HIS 83 HA HIS 83 -5.520 -12.012 -32.490 623 HB2 HIS 83 HB2 HIS 83 -5.435 -14.446 -32.931 624 HB3 HIS 83 HB3 HIS 83 -3.955 -13.592 -33.344 625 HD1 HIS 83 HD1 HIS 83 -4.544 -14.658 -29.734 626 HD2 HIS 83 HD2 HIS 83 -2.468 -15.839 -33.188 627 HE1 HIS 83 HE1 HIS 83 -2.886 -16.488 -28.987 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -3.186 -1.758 -12.329 2 H2 MET 1 H2 MET 1 -2.262 -1.982 -10.998 3 H3 MET 1 H3 MET 1 -3.633 -2.853 -11.207 4 HA MET 1 HA MET 1 -5.009 -0.905 -11.028 5 HB2 MET 1 HB2 MET 1 -3.097 -1.246 -8.680 6 HB3 MET 1 HB3 MET 1 -4.560 -0.255 -8.651 7 HG2 MET 1 HG2 MET 1 -5.932 -2.246 -9.169 8 HG3 MET 1 HG3 MET 1 -4.476 -3.252 -9.146 9 HE1 MET 1 HE1 MET 1 -5.567 -4.905 -7.419 10 HE2 MET 1 HE2 MET 1 -6.326 -4.388 -5.898 11 HE3 MET 1 HE3 MET 1 -7.054 -3.928 -7.454 12 H ALA 2 H ALA 2 -2.043 0.401 -9.491 13 HA ALA 2 HA ALA 2 -1.718 2.597 -11.447 14 HB1 ALA 2 HB1 ALA 2 -2.216 4.320 -9.713 15 HB2 ALA 2 HB2 ALA 2 -3.674 3.313 -9.895 16 HB3 ALA 2 HB3 ALA 2 -2.555 3.080 -8.517 17 H THR 3 H THR 3 -0.147 4.028 -10.975 18 HA THR 3 HA THR 3 2.185 2.939 -9.583 19 HB THR 3 HB THR 3 3.109 5.154 -10.206 20 HG1 THR 3 HG1 THR 3 2.023 6.252 -11.909 21 HG21 THR 3 HG21 THR 3 3.480 3.051 -11.464 22 HG22 THR 3 HG22 THR 3 1.948 3.292 -12.354 23 HG23 THR 3 HG23 THR 3 3.345 4.386 -12.635 24 HA PRO 4 HA PRO 4 1.137 4.518 -5.909 25 HB2 PRO 4 HB2 PRO 4 3.950 5.218 -5.196 26 HB3 PRO 4 HB3 PRO 4 2.803 4.066 -4.418 27 HG2 PRO 4 HG2 PRO 4 4.898 3.206 -6.040 28 HG3 PRO 4 HG3 PRO 4 3.308 2.367 -5.968 29 HD2 PRO 4 HD2 PRO 4 4.289 4.202 -8.104 30 HD3 PRO 4 HD3 PRO 4 3.366 2.689 -8.125 31 H TRP 5 H TRP 5 0.130 6.319 -5.264 32 HA TRP 5 HA TRP 5 0.450 8.794 -6.567 33 HB2 TRP 5 HB2 TRP 5 -0.935 8.178 -3.937 34 HB3 TRP 5 HB3 TRP 5 -1.129 9.656 -4.865 35 HD1 TRP 5 HD1 TRP 5 -1.174 7.268 -7.528 36 HE1 TRP 5 HE1 TRP 5 -3.536 6.505 -8.143 37 HE3 TRP 5 HE3 TRP 5 -3.665 8.890 -3.349 38 HZ2 TRP 5 HZ2 TRP 5 -6.181 6.596 -6.991 39 HZ3 TRP 5 HZ3 TRP 5 -6.120 8.552 -3.150 40 HH2 TRP 5 HH2 TRP 5 -7.385 7.408 -4.956 41 H SER 6 H SER 6 2.224 7.688 -3.760 42 HA SER 6 HA SER 6 3.079 10.194 -2.696 43 HB2 SER 6 HB2 SER 6 5.032 8.868 -1.878 44 HB3 SER 6 HB3 SER 6 3.455 8.149 -1.501 45 HG SER 6 HG SER 6 4.968 6.607 -2.325 46 H GLY 7 H GLY 7 3.956 8.635 -5.716 47 HA2 GLY 7 HA2 GLY 7 6.327 10.328 -6.186 48 HA3 GLY 7 HA3 GLY 7 5.613 9.141 -7.277 49 H TYR 8 H TYR 8 2.999 10.894 -6.442 50 HA TYR 8 HA TYR 8 3.265 12.980 -8.489 51 HB2 TYR 8 HB2 TYR 8 1.083 10.865 -8.316 52 HB3 TYR 8 HB3 TYR 8 1.135 12.169 -9.490 53 HD1 TYR 8 HD2 TYR 8 2.843 12.186 -11.317 54 HD2 TYR 8 HD1 TYR 8 2.421 8.853 -8.609 55 HE1 TYR 8 HE2 TYR 8 4.173 10.758 -12.865 56 HE2 TYR 8 HE1 TYR 8 3.778 7.437 -10.141 57 HH TYR 8 HH TYR 8 5.085 8.687 -13.238 58 H LEU 9 H LEU 9 2.665 12.540 -5.408 59 HA LEU 9 HA LEU 9 0.197 13.106 -4.607 60 HB2 LEU 9 HB2 LEU 9 2.014 12.545 -3.123 61 HB3 LEU 9 HB3 LEU 9 2.834 14.073 -3.445 62 HG LEU 9 HG LEU 9 1.070 15.317 -2.280 63 HD11 LEU 9 HD11 LEU 9 -0.708 14.212 -1.053 64 HD12 LEU 9 HD12 LEU 9 -0.832 13.793 -2.762 65 HD13 LEU 9 HD13 LEU 9 -0.163 12.607 -1.627 66 HD21 LEU 9 HD21 LEU 9 2.110 12.962 -0.652 67 HD22 LEU 9 HD22 LEU 9 2.989 14.470 -0.988 68 HD23 LEU 9 HD23 LEU 9 1.517 14.508 -0.002 69 H ASP 10 H ASP 10 2.472 15.728 -5.365 70 HA ASP 10 HA ASP 10 0.545 17.760 -4.710 71 HB2 ASP 10 HB2 ASP 10 3.080 17.874 -4.464 72 HB3 ASP 10 HB3 ASP 10 3.203 18.018 -6.215 73 H ASP 11 H ASP 11 0.273 15.822 -7.230 74 HA ASP 11 HA ASP 11 -1.390 17.814 -8.646 75 HB2 ASP 11 HB2 ASP 11 0.807 17.437 -9.914 76 HB3 ASP 11 HB3 ASP 11 0.308 15.755 -10.122 77 H VAL 12 H VAL 12 -1.414 15.151 -6.859 78 HA VAL 12 HA VAL 12 -3.874 14.119 -8.083 79 HB VAL 12 HB VAL 12 -1.820 12.813 -6.252 80 HG11 VAL 12 HG11 VAL 12 -3.194 10.734 -6.379 81 HG12 VAL 12 HG12 VAL 12 -3.943 12.015 -5.423 82 HG13 VAL 12 HG13 VAL 12 -4.521 11.685 -7.082 83 HG21 VAL 12 HG21 VAL 12 -1.269 12.872 -8.645 84 HG22 VAL 12 HG22 VAL 12 -1.552 11.213 -8.088 85 HG23 VAL 12 HG23 VAL 12 -2.802 12.061 -9.033 86 H SER 13 H SER 13 -2.425 14.579 -4.868 87 HA SER 13 HA SER 13 -4.914 14.961 -3.500 88 HB2 SER 13 HB2 SER 13 -2.873 14.277 -2.377 89 HB3 SER 13 HB3 SER 13 -2.068 15.822 -2.830 90 HG SER 13 HG SER 13 -2.957 15.814 -0.663 91 H ALA 14 H ALA 14 -2.340 17.141 -4.662 92 HA ALA 14 HA ALA 14 -3.699 19.399 -3.787 93 HB1 ALA 14 HB1 ALA 14 -1.311 19.242 -3.983 94 HB2 ALA 14 HB2 ALA 14 -1.482 19.268 -5.769 95 HB3 ALA 14 HB3 ALA 14 -1.966 20.689 -4.793 96 H LYS 15 H LYS 15 -3.818 17.813 -6.895 97 HA LYS 15 HA LYS 15 -5.065 19.713 -8.551 98 HB2 LYS 15 HB2 LYS 15 -4.244 17.653 -9.379 99 HB3 LYS 15 HB3 LYS 15 -5.276 16.689 -8.320 100 HG2 LYS 15 HG2 LYS 15 -7.249 17.233 -9.544 101 HG3 LYS 15 HG3 LYS 15 -6.420 18.485 -10.496 102 HD2 LYS 15 HD2 LYS 15 -5.712 15.521 -10.555 103 HD3 LYS 15 HD3 LYS 15 -6.807 16.285 -11.709 104 HE2 LYS 15 HE2 LYS 15 -5.134 17.309 -12.885 105 HE3 LYS 15 HE3 LYS 15 -4.219 17.703 -11.433 106 HZ1 LYS 15 HZ1 LYS 15 -4.212 15.057 -12.771 107 HZ2 LYS 15 HZ2 LYS 15 -2.950 16.123 -12.633 108 HZ3 LYS 15 HZ3 LYS 15 -3.500 15.393 -11.316 109 H PHE 16 H PHE 16 -6.446 17.571 -6.103 110 HA PHE 16 HA PHE 16 -9.091 18.674 -6.233 111 HB2 PHE 16 HB2 PHE 16 -9.265 16.614 -5.333 112 HB3 PHE 16 HB3 PHE 16 -7.654 16.620 -4.662 113 HD1 PHE 16 HD2 PHE 16 -11.085 18.002 -4.091 114 HD2 PHE 16 HD1 PHE 16 -7.265 17.023 -2.347 115 HE1 PHE 16 HE2 PHE 16 -12.014 18.401 -1.823 116 HE2 PHE 16 HE1 PHE 16 -8.198 17.428 -0.081 117 HZ PHE 16 HZ PHE 16 -10.575 18.115 0.185 118 H ASP 17 H ASP 17 -6.414 18.987 -3.839 119 HA ASP 17 HA ASP 17 -7.737 20.673 -2.155 120 HB2 ASP 17 HB2 ASP 17 -5.603 19.390 -1.738 121 HB3 ASP 17 HB3 ASP 17 -4.739 20.712 -2.534 122 H THR 18 H THR 18 -5.977 21.838 -4.990 123 HA THR 18 HA THR 18 -6.282 24.592 -4.130 124 HB THR 18 HB THR 18 -4.318 23.561 -5.423 125 HG1 THR 18 HG1 THR 18 -4.351 25.712 -5.015 126 HG21 THR 18 HG21 THR 18 -5.713 22.681 -7.320 127 HG22 THR 18 HG22 THR 18 -6.058 24.364 -7.781 128 HG23 THR 18 HG23 THR 18 -4.388 23.752 -7.828 129 H GLY 19 H GLY 19 -7.993 22.388 -6.276 130 HA2 GLY 19 HA2 GLY 19 -9.592 24.465 -7.602 131 HA3 GLY 19 HA3 GLY 19 -9.813 22.722 -7.727 132 H VAL 20 H VAL 20 -10.129 21.987 -5.037 133 HA VAL 20 HA VAL 20 -12.752 22.762 -4.324 134 HB VAL 20 HB VAL 20 -11.128 20.829 -3.418 135 HG11 VAL 20 HG11 VAL 20 -9.567 22.197 -2.194 136 HG12 VAL 20 HG12 VAL 20 -10.866 22.726 -1.097 137 HG13 VAL 20 HG13 VAL 20 -10.397 21.017 -1.182 138 HG21 VAL 20 HG21 VAL 20 -13.215 22.228 -1.658 139 HG22 VAL 20 HG22 VAL 20 -13.631 21.134 -2.967 140 HG23 VAL 20 HG23 VAL 20 -12.772 20.510 -1.554 141 H ASP 21 H ASP 21 -9.654 24.079 -3.336 142 HA ASP 21 HA ASP 21 -10.748 25.889 -1.528 143 HB2 ASP 21 HB2 ASP 21 -8.529 25.266 -1.309 144 HB3 ASP 21 HB3 ASP 21 -8.165 25.657 -2.972 145 H ASN 22 H ASN 22 -10.584 26.262 -5.039 146 HA ASN 22 HA ASN 22 -11.216 29.061 -4.929 147 HB2 ASN 22 HB2 ASN 22 -11.888 26.884 -7.004 148 HB3 ASN 22 HB3 ASN 22 -12.142 28.604 -7.263 149 HD21 ASN 22 HD22 ASN 22 -10.385 26.646 -8.737 150 HD22 ASN 22 HD21 ASN 22 -8.798 27.400 -8.699 151 H LEU 23 H LEU 23 -13.100 26.128 -4.555 152 HA LEU 23 HA LEU 23 -15.592 27.581 -4.530 153 HB2 LEU 23 HB2 LEU 23 -14.969 24.938 -5.119 154 HB3 LEU 23 HB3 LEU 23 -15.712 24.829 -3.543 155 HG LEU 23 HG LEU 23 -17.344 24.694 -5.302 156 HD11 LEU 23 HD11 LEU 23 -17.792 27.513 -4.299 157 HD12 LEU 23 HD12 LEU 23 -18.934 26.184 -4.543 158 HD13 LEU 23 HD13 LEU 23 -17.828 26.147 -3.185 159 HD21 LEU 23 HD21 LEU 23 -16.692 25.700 -7.218 160 HD22 LEU 23 HD22 LEU 23 -18.192 26.521 -6.685 161 HD23 LEU 23 HD23 LEU 23 -16.612 27.325 -6.474 162 H GLN 24 H GLN 24 -13.494 26.013 -2.180 163 HA GLN 24 HA GLN 24 -14.825 26.541 0.184 164 HB2 GLN 24 HB2 GLN 24 -12.593 25.233 -0.328 165 HB3 GLN 24 HB3 GLN 24 -11.838 26.823 -0.041 166 HG2 GLN 24 HG2 GLN 24 -11.660 25.644 1.915 167 HG3 GLN 24 HG3 GLN 24 -12.882 26.916 2.162 168 HE21 GLN 24 HE22 GLN 24 -14.471 26.138 3.551 169 HE22 GLN 24 HE21 GLN 24 -15.153 24.520 3.441 170 H THR 25 H THR 25 -12.395 28.653 -1.486 171 HA THR 25 HA THR 25 -12.410 30.770 0.343 172 HB THR 25 HB THR 25 -10.849 30.340 -1.548 173 HG1 THR 25 HG1 THR 25 -10.401 32.537 -1.746 174 HG21 THR 25 HG21 THR 25 -11.116 31.294 -3.693 175 HG22 THR 25 HG22 THR 25 -12.413 30.157 -3.384 176 HG23 THR 25 HG23 THR 25 -12.743 31.908 -3.304 177 H GLN 26 H GLN 26 -14.384 30.250 -2.503 178 HA GLN 26 HA GLN 26 -16.159 32.412 -2.219 179 HB2 GLN 26 HB2 GLN 26 -15.944 29.899 -3.778 180 HB3 GLN 26 HB3 GLN 26 -17.590 30.220 -3.347 181 HG2 GLN 26 HG2 GLN 26 -17.529 32.431 -4.353 182 HG3 GLN 26 HG3 GLN 26 -15.779 32.292 -4.649 183 HE21 GLN 26 HE22 GLN 26 -15.218 30.102 -5.993 184 HE22 GLN 26 HE21 GLN 26 -16.271 29.916 -7.395 185 H VAL 27 H VAL 27 -16.760 29.060 -0.946 186 HA VAL 27 HA VAL 27 -19.157 29.837 0.277 187 HB VAL 27 HB VAL 27 -19.316 27.901 1.376 188 HG11 VAL 27 HG11 VAL 27 -18.886 26.198 -0.122 189 HG12 VAL 27 HG12 VAL 27 -18.665 27.599 -1.204 190 HG13 VAL 27 HG13 VAL 27 -17.259 26.761 -0.495 191 HG21 VAL 27 HG21 VAL 27 -16.361 27.453 1.625 192 HG22 VAL 27 HG22 VAL 27 -17.530 27.817 2.916 193 HG23 VAL 27 HG23 VAL 27 -17.633 26.291 2.050 194 H THR 28 H THR 28 -15.816 29.888 1.444 195 HA THR 28 HA THR 28 -16.362 30.595 4.115 196 HB THR 28 HB THR 28 -13.931 31.402 2.549 197 HG1 THR 28 HG1 THR 28 -14.146 29.162 2.471 198 HG21 THR 28 HG21 THR 28 -13.911 32.532 4.563 199 HG22 THR 28 HG22 THR 28 -14.615 31.156 5.461 200 HG23 THR 28 HG23 THR 28 -12.907 31.084 4.884 201 H GLU 29 H GLU 29 -16.076 32.562 1.142 202 HA GLU 29 HA GLU 29 -16.116 34.955 2.658 203 HB2 GLU 29 HB2 GLU 29 -16.496 34.435 -0.249 204 HB3 GLU 29 HB3 GLU 29 -16.594 36.023 0.484 205 HG2 GLU 29 HG2 GLU 29 -14.408 35.823 1.507 206 HG3 GLU 29 HG3 GLU 29 -14.135 34.277 0.766 207 H ALA 30 H ALA 30 -18.697 32.883 1.254 208 HA ALA 30 HA ALA 30 -20.909 34.597 1.917 209 HB1 ALA 30 HB1 ALA 30 -22.166 32.434 1.974 210 HB2 ALA 30 HB2 ALA 30 -21.211 32.600 0.474 211 HB3 ALA 30 HB3 ALA 30 -20.667 31.536 1.780 212 H LEU 31 H LEU 31 -19.101 32.131 3.675 213 HA LEU 31 HA LEU 31 -20.319 32.455 6.193 214 HB2 LEU 31 HB2 LEU 31 -18.867 30.550 5.369 215 HB3 LEU 31 HB3 LEU 31 -17.504 31.647 5.512 216 HG LEU 31 HG LEU 31 -18.212 31.930 8.008 217 HD11 LEU 31 HD11 LEU 31 -19.478 29.253 7.407 218 HD12 LEU 31 HD12 LEU 31 -19.463 30.172 8.947 219 HD13 LEU 31 HD13 LEU 31 -20.439 30.730 7.567 220 HD21 LEU 31 HD21 LEU 31 -16.191 30.957 7.196 221 HD22 LEU 31 HD22 LEU 31 -16.862 30.022 8.549 222 HD23 LEU 31 HD23 LEU 31 -17.013 29.421 6.832 223 H ASP 32 H ASP 32 -17.575 34.288 4.687 224 HA ASP 32 HA ASP 32 -16.839 35.738 6.952 225 HB2 ASP 32 HB2 ASP 32 -15.503 35.865 4.980 226 HB3 ASP 32 HB3 ASP 32 -16.808 36.474 3.989 227 H LYS 33 H LYS 33 -19.639 36.111 4.823 228 HA LYS 33 HA LYS 33 -20.757 38.350 6.182 229 HB2 LYS 33 HB2 LYS 33 -22.439 36.483 4.665 230 HB3 LYS 33 HB3 LYS 33 -22.495 38.248 4.886 231 HG2 LYS 33 HG2 LYS 33 -21.021 36.519 2.969 232 HG3 LYS 33 HG3 LYS 33 -22.071 37.861 2.630 233 HD2 LYS 33 HD2 LYS 33 -20.263 39.381 3.598 234 HD3 LYS 33 HD3 LYS 33 -19.167 37.962 3.553 235 HE2 LYS 33 HE2 LYS 33 -19.548 37.614 1.210 236 HE3 LYS 33 HE3 LYS 33 -20.643 39.012 1.141 237 HZ1 LYS 33 HZ1 LYS 33 -18.774 40.432 1.772 238 HZ2 LYS 33 HZ2 LYS 33 -17.769 39.153 1.901 239 HZ3 LYS 33 HZ3 LYS 33 -18.362 39.586 0.438 240 H LEU 34 H LEU 34 -21.288 34.820 6.324 241 HA LEU 34 HA LEU 34 -23.354 34.977 8.212 242 HB2 LEU 34 HB2 LEU 34 -22.503 33.169 6.535 243 HB3 LEU 34 HB3 LEU 34 -21.886 32.408 8.024 244 HG LEU 34 HG LEU 34 -24.754 33.319 7.504 245 HD11 LEU 34 HD11 LEU 34 -25.280 31.026 7.070 246 HD12 LEU 34 HD12 LEU 34 -24.062 31.680 5.976 247 HD13 LEU 34 HD13 LEU 34 -23.559 30.574 7.286 248 HD21 LEU 34 HD21 LEU 34 -24.026 31.125 9.454 249 HD22 LEU 34 HD22 LEU 34 -24.211 32.803 9.910 250 HD23 LEU 34 HD23 LEU 34 -25.596 31.966 9.158 251 H ALA 35 H ALA 35 -19.936 34.997 8.650 252 HA ALA 35 HA ALA 35 -19.970 34.595 11.517 253 HB1 ALA 35 HB1 ALA 35 -17.816 35.535 9.585 254 HB2 ALA 35 HB2 ALA 35 -17.575 35.043 11.283 255 HB3 ALA 35 HB3 ALA 35 -18.135 33.855 10.076 256 H ALA 36 H ALA 36 -20.496 37.256 9.282 257 HA ALA 36 HA ALA 36 -20.034 39.465 11.109 258 HB1 ALA 36 HB1 ALA 36 -19.530 39.650 8.705 259 HB2 ALA 36 HB2 ALA 36 -21.241 39.452 8.287 260 HB3 ALA 36 HB3 ALA 36 -20.714 40.854 9.223 261 H LYS 37 H LYS 37 -22.969 38.153 9.572 262 HA LYS 37 HA LYS 37 -24.768 39.295 11.715 263 HB2 LYS 37 HB2 LYS 37 -24.477 40.656 9.442 264 HB3 LYS 37 HB3 LYS 37 -25.304 39.293 8.769 265 HG2 LYS 37 HG2 LYS 37 -27.227 39.814 10.417 266 HG3 LYS 37 HG3 LYS 37 -26.374 41.315 10.783 267 HD2 LYS 37 HD2 LYS 37 -27.112 40.442 7.951 268 HD3 LYS 37 HD3 LYS 37 -28.188 41.422 8.969 269 HE2 LYS 37 HE2 LYS 37 -26.411 43.162 9.150 270 HE3 LYS 37 HE3 LYS 37 -25.366 42.198 8.099 271 HZ1 LYS 37 HZ1 LYS 37 -28.006 43.313 7.309 272 HZ2 LYS 37 HZ2 LYS 37 -26.558 43.900 6.842 273 HZ3 LYS 37 HZ3 LYS 37 -27.039 42.425 6.336 274 HA PRO 38 HA PRO 38 -24.508 34.886 10.154 275 HB2 PRO 38 HB2 PRO 38 -25.640 33.890 12.709 276 HB3 PRO 38 HB3 PRO 38 -24.179 33.452 11.795 277 HG2 PRO 38 HG2 PRO 38 -24.469 35.402 13.970 278 HG3 PRO 38 HG3 PRO 38 -22.957 34.816 13.219 279 HD2 PRO 38 HD2 PRO 38 -24.025 37.378 12.921 280 HD3 PRO 38 HD3 PRO 38 -22.874 36.635 11.777 281 H SER 39 H SER 39 -27.608 34.675 11.951 282 HA SER 39 HA SER 39 -28.393 33.066 9.738 283 HB2 SER 39 HB2 SER 39 -30.374 32.564 10.959 284 HB3 SER 39 HB3 SER 39 -28.909 32.314 11.885 285 HG SER 39 HG SER 39 -30.541 33.408 13.128 286 H ASP 40 H ASP 40 -28.152 36.198 9.591 287 HA ASP 40 HA ASP 40 -30.508 37.280 8.470 288 HB2 ASP 40 HB2 ASP 40 -28.567 38.680 8.777 289 HB3 ASP 40 HB3 ASP 40 -27.619 37.719 7.699 290 HA PRO 41 HA PRO 41 -30.711 33.748 5.880 291 HB2 PRO 41 HB2 PRO 41 -33.135 34.113 4.603 292 HB3 PRO 41 HB3 PRO 41 -32.938 33.603 6.315 293 HG2 PRO 41 HG2 PRO 41 -33.386 36.408 5.172 294 HG3 PRO 41 HG3 PRO 41 -34.292 35.624 6.522 295 HD2 PRO 41 HD2 PRO 41 -32.252 37.335 6.988 296 HD3 PRO 41 HD3 PRO 41 -32.493 35.883 8.007 297 H ALA 42 H ALA 42 -30.874 36.941 4.391 298 HA ALA 42 HA ALA 42 -30.642 35.986 1.726 299 HB1 ALA 42 HB1 ALA 42 -31.518 38.185 2.439 300 HB2 ALA 42 HB2 ALA 42 -29.892 38.667 2.968 301 HB3 ALA 42 HB3 ALA 42 -30.204 38.356 1.240 302 H LEU 43 H LEU 43 -28.131 36.960 4.167 303 HA LEU 43 HA LEU 43 -25.960 36.116 2.386 304 HB2 LEU 43 HB2 LEU 43 -24.517 36.821 4.055 305 HB3 LEU 43 HB3 LEU 43 -25.816 38.010 4.025 306 HG LEU 43 HG LEU 43 -26.735 36.588 6.045 307 HD11 LEU 43 HD11 LEU 43 -24.854 34.781 5.802 308 HD12 LEU 43 HD12 LEU 43 -23.801 36.094 6.214 309 HD13 LEU 43 HD13 LEU 43 -25.063 35.584 7.376 310 HD21 LEU 43 HD21 LEU 43 -25.919 38.791 6.511 311 HD22 LEU 43 HD22 LEU 43 -25.116 37.642 7.634 312 HD23 LEU 43 HD23 LEU 43 -24.217 38.265 6.238 313 H LEU 44 H LEU 44 -27.613 34.678 5.257 314 HA LEU 44 HA LEU 44 -25.893 32.347 5.361 315 HB2 LEU 44 HB2 LEU 44 -26.918 32.474 7.315 316 HB3 LEU 44 HB3 LEU 44 -28.258 33.312 6.786 317 HG LEU 44 HG LEU 44 -29.007 31.410 7.815 318 HD11 LEU 44 HD11 LEU 44 -29.289 30.294 5.028 319 HD12 LEU 44 HD12 LEU 44 -30.460 30.344 6.346 320 HD13 LEU 44 HD13 LEU 44 -30.086 31.822 5.442 321 HD21 LEU 44 HD21 LEU 44 -27.150 30.050 7.886 322 HD22 LEU 44 HD22 LEU 44 -28.431 29.106 7.105 323 HD23 LEU 44 HD23 LEU 44 -27.142 29.793 6.082 324 H ALA 45 H ALA 45 -29.027 32.822 3.478 325 HA ALA 45 HA ALA 45 -28.623 30.158 2.586 326 HB1 ALA 45 HB1 ALA 45 -30.493 30.545 1.076 327 HB2 ALA 45 HB2 ALA 45 -30.812 31.068 2.735 328 HB3 ALA 45 HB3 ALA 45 -30.463 32.295 1.465 329 H ALA 46 H ALA 46 -27.201 33.154 1.472 330 HA ALA 46 HA ALA 46 -26.323 32.105 -1.047 331 HB1 ALA 46 HB1 ALA 46 -25.039 34.267 0.664 332 HB2 ALA 46 HB2 ALA 46 -24.709 33.894 -1.048 333 HB3 ALA 46 HB3 ALA 46 -26.301 34.515 -0.572 334 H TYR 47 H TYR 47 -25.049 31.995 2.317 335 HA TYR 47 HA TYR 47 -22.724 30.428 1.799 336 HB2 TYR 47 HB2 TYR 47 -23.367 31.560 4.022 337 HB3 TYR 47 HB3 TYR 47 -24.500 30.333 4.209 338 HD1 TYR 47 HD2 TYR 47 -20.852 30.159 3.379 339 HD2 TYR 47 HD1 TYR 47 -24.186 28.591 5.595 340 HE1 TYR 47 HE2 TYR 47 -19.386 28.395 4.317 341 HE2 TYR 47 HE1 TYR 47 -22.716 26.840 6.565 342 HH TYR 47 HH TYR 47 -19.248 26.561 5.697 343 H GLN 48 H GLN 48 -26.015 29.476 2.733 344 HA GLN 48 HA GLN 48 -25.733 26.747 2.487 345 HB2 GLN 48 HB2 GLN 48 -28.257 28.230 1.734 346 HB3 GLN 48 HB3 GLN 48 -28.088 26.565 2.215 347 HG2 GLN 48 HG2 GLN 48 -27.675 28.847 4.072 348 HG3 GLN 48 HG3 GLN 48 -29.065 27.877 3.994 349 HE21 GLN 48 HE22 GLN 48 -28.897 25.547 4.649 350 HE22 GLN 48 HE21 GLN 48 -27.578 25.086 5.716 351 H SER 49 H SER 49 -26.203 29.095 -0.104 352 HA SER 49 HA SER 49 -26.519 27.184 -2.149 353 HB2 SER 49 HB2 SER 49 -27.029 29.795 -2.196 354 HB3 SER 49 HB3 SER 49 -25.304 30.010 -2.547 355 HG SER 49 HG SER 49 -26.646 29.873 -4.441 356 H LYS 50 H LYS 50 -23.667 29.104 -1.139 357 HA LYS 50 HA LYS 50 -21.912 27.910 -3.027 358 HB2 LYS 50 HB2 LYS 50 -21.388 29.481 -0.417 359 HB3 LYS 50 HB3 LYS 50 -20.158 29.042 -1.585 360 HG2 LYS 50 HG2 LYS 50 -22.470 30.342 -2.920 361 HG3 LYS 50 HG3 LYS 50 -21.710 31.340 -1.702 362 HD2 LYS 50 HD2 LYS 50 -20.722 31.773 -3.795 363 HD3 LYS 50 HD3 LYS 50 -19.547 31.008 -2.685 364 HE2 LYS 50 HE2 LYS 50 -19.069 29.506 -4.278 365 HE3 LYS 50 HE3 LYS 50 -20.647 28.844 -4.006 366 HZ1 LYS 50 HZ1 LYS 50 -19.871 30.882 -6.046 367 HZ2 LYS 50 HZ2 LYS 50 -20.415 29.388 -6.355 368 HZ3 LYS 50 HZ3 LYS 50 -21.449 30.509 -5.755 369 H LEU 51 H LEU 51 -22.701 27.020 0.226 370 HA LEU 51 HA LEU 51 -21.011 24.833 0.788 371 HB2 LEU 51 HB2 LEU 51 -22.447 25.968 2.345 372 HB3 LEU 51 HB3 LEU 51 -23.825 25.831 1.343 373 HG LEU 51 HG LEU 51 -22.651 23.470 2.841 374 HD11 LEU 51 HD11 LEU 51 -24.297 23.966 4.519 375 HD12 LEU 51 HD12 LEU 51 -23.542 25.539 4.163 376 HD13 LEU 51 HD13 LEU 51 -25.114 25.135 3.472 377 HD21 LEU 51 HD21 LEU 51 -25.076 22.654 2.534 378 HD22 LEU 51 HD22 LEU 51 -25.289 23.962 1.351 379 HD23 LEU 51 HD23 LEU 51 -24.121 22.653 1.055 380 H SER 52 H SER 52 -24.059 25.005 -1.095 381 HA SER 52 HA SER 52 -23.960 22.264 -1.895 382 HB2 SER 52 HB2 SER 52 -25.493 24.513 -3.216 383 HB3 SER 52 HB3 SER 52 -25.714 22.769 -3.401 384 HG SER 52 HG SER 52 -26.204 24.338 -1.071 385 H GLU 53 H GLU 53 -23.004 25.328 -3.532 386 HA GLU 53 HA GLU 53 -22.207 24.231 -5.975 387 HB2 GLU 53 HB2 GLU 53 -21.006 26.535 -4.518 388 HB3 GLU 53 HB3 GLU 53 -20.629 26.001 -6.171 389 HG2 GLU 53 HG2 GLU 53 -23.117 27.363 -5.236 390 HG3 GLU 53 HG3 GLU 53 -21.744 27.925 -6.224 391 H TYR 54 H TYR 54 -20.463 24.467 -2.901 392 HA TYR 54 HA TYR 54 -17.991 23.471 -3.903 393 HB2 TYR 54 HB2 TYR 54 -17.444 24.505 -2.017 394 HB3 TYR 54 HB3 TYR 54 -19.025 24.379 -1.357 395 HD1 TYR 54 HD2 TYR 54 -15.770 22.755 -1.862 396 HD2 TYR 54 HD1 TYR 54 -19.518 22.620 0.261 397 HE1 TYR 54 HE2 TYR 54 -14.849 21.059 -0.380 398 HE2 TYR 54 HE1 TYR 54 -18.641 20.882 1.743 399 HH TYR 54 HH TYR 54 -15.236 19.660 1.455 400 H ASN 55 H ASN 55 -20.838 21.846 -2.479 401 HA ASN 55 HA ASN 55 -19.684 19.273 -2.705 402 HB2 ASN 55 HB2 ASN 55 -22.053 20.246 -1.649 403 HB3 ASN 55 HB3 ASN 55 -22.547 19.301 -3.067 404 HD21 ASN 55 HD22 ASN 55 -20.621 19.101 -0.060 405 HD22 ASN 55 HD21 ASN 55 -20.829 17.363 0.104 406 H LEU 56 H LEU 56 -21.315 21.376 -5.098 407 HA LEU 56 HA LEU 56 -21.389 19.491 -7.272 408 HB2 LEU 56 HB2 LEU 56 -21.587 22.445 -6.907 409 HB3 LEU 56 HB3 LEU 56 -21.192 21.941 -8.487 410 HG LEU 56 HG LEU 56 -23.253 20.931 -8.882 411 HD11 LEU 56 HD11 LEU 56 -23.620 19.615 -6.823 412 HD12 LEU 56 HD12 LEU 56 -23.973 21.108 -5.928 413 HD13 LEU 56 HD13 LEU 56 -25.040 20.578 -7.239 414 HD21 LEU 56 HD21 LEU 56 -24.805 22.751 -8.422 415 HD22 LEU 56 HD22 LEU 56 -23.808 23.314 -7.059 416 HD23 LEU 56 HD23 LEU 56 -23.187 23.442 -8.704 417 H TYR 57 H TYR 57 -18.930 21.917 -6.227 418 HA TYR 57 HA TYR 57 -16.987 21.318 -8.151 419 HB2 TYR 57 HB2 TYR 57 -16.391 23.104 -6.906 420 HB3 TYR 57 HB3 TYR 57 -16.756 22.357 -5.370 421 HD1 TYR 57 HD1 TYR 57 -14.259 22.641 -8.080 422 HD2 TYR 57 HD2 TYR 57 -15.320 20.552 -4.460 423 HE1 TYR 57 HE1 TYR 57 -12.122 21.370 -8.183 424 HE2 TYR 57 HE2 TYR 57 -13.258 19.197 -4.622 425 HH TYR 57 HH TYR 57 -10.896 19.684 -7.299 426 H ARG 58 H ARG 58 -17.816 19.697 -5.126 427 HA ARG 58 HA ARG 58 -16.052 17.500 -5.262 428 HB2 ARG 58 HB2 ARG 58 -17.935 18.577 -3.465 429 HB3 ARG 58 HB3 ARG 58 -18.661 17.045 -3.878 430 HG2 ARG 58 HG2 ARG 58 -17.398 16.777 -1.910 431 HG3 ARG 58 HG3 ARG 58 -16.511 15.938 -3.209 432 HD2 ARG 58 HD2 ARG 58 -15.305 18.355 -3.382 433 HD3 ARG 58 HD3 ARG 58 -15.820 18.482 -1.711 434 HE ARG 58 HE ARG 58 -13.805 16.672 -2.898 435 HH11 ARG 58 HH21 ARG 58 -15.694 17.219 0.018 436 HH12 ARG 58 HH22 ARG 58 -14.611 16.271 0.998 437 HH21 ARG 58 HH11 ARG 58 -12.446 15.562 -1.578 438 HH22 ARG 58 HH12 ARG 58 -12.826 15.333 0.105 439 H ASN 59 H ASN 59 -19.340 17.847 -6.490 440 HA ASN 59 HA ASN 59 -19.749 15.203 -7.347 441 HB2 ASN 59 HB2 ASN 59 -21.508 17.073 -7.139 442 HB3 ASN 59 HB3 ASN 59 -20.891 17.704 -8.660 443 HD21 ASN 59 HD22 ASN 59 -22.502 14.892 -7.170 444 HD22 ASN 59 HD21 ASN 59 -23.146 14.293 -8.690 445 H ALA 60 H ALA 60 -18.490 18.030 -9.066 446 HA ALA 60 HA ALA 60 -17.704 16.779 -11.488 447 HB1 ALA 60 HB1 ALA 60 -16.478 18.910 -11.774 448 HB2 ALA 60 HB2 ALA 60 -18.084 19.237 -11.050 449 HB3 ALA 60 HB3 ALA 60 -16.648 19.264 -10.038 450 H GLN 61 H GLN 61 -15.900 17.389 -8.456 451 HA GLN 61 HA GLN 61 -13.703 15.725 -9.195 452 HB2 GLN 61 HB2 GLN 61 -13.522 17.653 -7.840 453 HB3 GLN 61 HB3 GLN 61 -14.422 16.840 -6.534 454 HG2 GLN 61 HG2 GLN 61 -12.192 15.173 -7.490 455 HG3 GLN 61 HG3 GLN 61 -11.570 16.762 -7.088 456 HE21 GLN 61 HE22 GLN 61 -11.041 14.169 -5.761 457 HE22 GLN 61 HE21 GLN 61 -11.539 14.397 -4.095 458 H SER 62 H SER 62 -16.303 14.613 -9.250 459 HA SER 62 HA SER 62 -15.547 11.961 -8.382 460 HB2 SER 62 HB2 SER 62 -17.106 12.949 -6.661 461 HB3 SER 62 HB3 SER 62 -18.347 13.028 -7.924 462 HG SER 62 HG SER 62 -18.461 11.109 -6.588 463 H ASN 63 H ASN 63 -15.879 13.798 -10.836 464 HA ASN 63 HA ASN 63 -17.085 11.815 -12.605 465 HB2 ASN 63 HB2 ASN 63 -18.163 14.204 -12.169 466 HB3 ASN 63 HB3 ASN 63 -16.910 14.805 -13.210 467 HD21 ASN 63 HD22 ASN 63 -19.580 15.132 -13.906 468 HD22 ASN 63 HD21 ASN 63 -19.920 14.117 -15.299 469 H THR 64 H THR 64 -14.748 14.465 -12.506 470 HA THR 64 HA THR 64 -12.972 13.755 -14.491 471 HB THR 64 HB THR 64 -12.948 15.757 -13.231 472 HG1 THR 64 HG1 THR 64 -11.016 15.377 -14.177 473 HG21 THR 64 HG21 THR 64 -12.381 16.040 -10.999 474 HG22 THR 64 HG22 THR 64 -13.399 14.586 -10.972 475 HG23 THR 64 HG23 THR 64 -11.628 14.435 -10.864 476 H VAL 65 H VAL 65 -13.005 12.645 -11.247 477 HA VAL 65 HA VAL 65 -11.021 10.786 -10.920 478 HB VAL 65 HB VAL 65 -13.904 10.392 -10.033 479 HG11 VAL 65 HG11 VAL 65 -11.234 10.120 -8.568 480 HG12 VAL 65 HG12 VAL 65 -12.829 9.705 -7.903 481 HG13 VAL 65 HG13 VAL 65 -12.156 8.745 -9.233 482 HG21 VAL 65 HG21 VAL 65 -13.388 11.932 -8.128 483 HG22 VAL 65 HG22 VAL 65 -12.026 12.557 -9.086 484 HG23 VAL 65 HG23 VAL 65 -13.705 12.683 -9.692 485 H LYS 66 H LYS 66 -13.933 10.451 -12.780 486 HA LYS 66 HA LYS 66 -13.514 7.649 -13.515 487 HB2 LYS 66 HB2 LYS 66 -15.889 9.433 -13.041 488 HB3 LYS 66 HB3 LYS 66 -16.078 8.006 -14.069 489 HG2 LYS 66 HG2 LYS 66 -15.930 6.532 -12.319 490 HG3 LYS 66 HG3 LYS 66 -14.660 7.441 -11.510 491 HD2 LYS 66 HD2 LYS 66 -16.607 7.392 -10.102 492 HD3 LYS 66 HD3 LYS 66 -16.268 9.042 -10.628 493 HE2 LYS 66 HE2 LYS 66 -18.049 8.792 -12.398 494 HE3 LYS 66 HE3 LYS 66 -18.406 7.176 -11.768 495 HZ1 LYS 66 HZ1 LYS 66 -18.616 9.709 -10.228 496 HZ2 LYS 66 HZ2 LYS 66 -19.892 8.872 -10.827 497 HZ3 LYS 66 HZ3 LYS 66 -18.979 8.227 -9.633 498 H VAL 67 H VAL 67 -12.671 10.463 -14.667 499 HA VAL 67 HA VAL 67 -13.013 9.831 -17.495 500 HB VAL 67 HB VAL 67 -12.608 12.336 -15.896 501 HG11 VAL 67 HG11 VAL 67 -12.374 13.629 -17.920 502 HG12 VAL 67 HG12 VAL 67 -10.974 12.623 -17.536 503 HG13 VAL 67 HG13 VAL 67 -12.081 12.076 -18.833 504 HG21 VAL 67 HG21 VAL 67 -14.611 13.013 -16.975 505 HG22 VAL 67 HG22 VAL 67 -14.526 11.603 -18.098 506 HG23 VAL 67 HG23 VAL 67 -14.827 11.350 -16.373 507 H PHE 68 H PHE 68 -10.607 10.614 -14.973 508 HA PHE 68 HA PHE 68 -8.329 10.054 -16.594 509 HB2 PHE 68 HB2 PHE 68 -8.927 9.794 -13.628 510 HB3 PHE 68 HB3 PHE 68 -7.320 9.493 -14.326 511 HD1 PHE 68 HD2 PHE 68 -6.510 11.516 -15.990 512 HD2 PHE 68 HD1 PHE 68 -9.169 11.901 -12.618 513 HE1 PHE 68 HE2 PHE 68 -5.974 13.933 -15.843 514 HE2 PHE 68 HE1 PHE 68 -8.659 14.320 -12.493 515 HZ PHE 68 HZ PHE 68 -7.056 15.345 -14.102 516 H LYS 69 H LYS 69 -10.828 8.037 -15.162 517 HA LYS 69 HA LYS 69 -9.752 5.450 -15.567 518 HB2 LYS 69 HB2 LYS 69 -11.834 5.668 -14.383 519 HB3 LYS 69 HB3 LYS 69 -12.501 6.759 -15.573 520 HG2 LYS 69 HG2 LYS 69 -12.001 3.943 -16.477 521 HG3 LYS 69 HG3 LYS 69 -13.326 4.228 -15.358 522 HD2 LYS 69 HD2 LYS 69 -14.554 5.552 -16.824 523 HD3 LYS 69 HD3 LYS 69 -13.167 6.040 -17.775 524 HE2 LYS 69 HE2 LYS 69 -12.940 3.674 -18.610 525 HE3 LYS 69 HE3 LYS 69 -14.443 3.279 -17.765 526 HZ1 LYS 69 HZ1 LYS 69 -15.547 4.997 -19.148 527 HZ2 LYS 69 HZ2 LYS 69 -14.155 5.277 -19.974 528 HZ3 LYS 69 HZ3 LYS 69 -14.891 3.826 -20.074 529 H ASP 70 H ASP 70 -11.131 7.794 -17.809 530 HA ASP 70 HA ASP 70 -11.062 6.066 -20.084 531 HB2 ASP 70 HB2 ASP 70 -12.602 8.188 -19.435 532 HB3 ASP 70 HB3 ASP 70 -11.435 8.958 -20.513 533 H ILE 71 H ILE 71 -9.010 8.615 -18.784 534 HA ILE 71 HA ILE 71 -7.174 8.469 -20.940 535 HB ILE 71 HB ILE 71 -7.445 10.168 -18.834 536 HG12 ILE 71 HG12 ILE 71 -6.215 10.435 -21.056 537 HG13 ILE 71 HG13 ILE 71 -5.612 11.365 -19.688 538 HG21 ILE 71 HG21 ILE 71 -5.292 10.199 -17.523 539 HG22 ILE 71 HG22 ILE 71 -6.443 9.010 -17.001 540 HG23 ILE 71 HG23 ILE 71 -5.055 8.500 -17.950 541 HD11 ILE 71 HD11 ILE 71 -4.440 8.664 -20.405 542 HD12 ILE 71 HD12 ILE 71 -3.823 10.200 -21.083 543 HD13 ILE 71 HD13 ILE 71 -3.778 9.890 -19.329 544 H ASP 72 H ASP 72 -7.328 6.741 -17.865 545 HA ASP 72 HA ASP 72 -5.168 5.021 -18.345 546 HB2 ASP 72 HB2 ASP 72 -6.162 5.392 -16.171 547 HB3 ASP 72 HB3 ASP 72 -7.686 4.765 -16.760 548 H ALA 73 H ALA 73 -8.553 4.652 -19.409 549 HA ALA 73 HA ALA 73 -8.239 2.114 -20.618 550 HB1 ALA 73 HB1 ALA 73 -10.198 2.752 -21.967 551 HB2 ALA 73 HB2 ALA 73 -10.417 3.262 -20.282 552 HB3 ALA 73 HB3 ALA 73 -9.989 4.455 -21.523 553 H ALA 74 H ALA 74 -7.123 5.326 -21.762 554 HA ALA 74 HA ALA 74 -6.183 4.314 -24.295 555 HB1 ALA 74 HB1 ALA 74 -5.526 6.903 -22.810 556 HB2 ALA 74 HB2 ALA 74 -5.153 6.538 -24.504 557 HB3 ALA 74 HB3 ALA 74 -6.841 6.684 -23.969 558 H ILE 75 H ILE 75 -4.738 4.833 -21.072 559 HA ILE 75 HA ILE 75 -2.117 3.989 -21.706 560 HB ILE 75 HB ILE 75 -3.577 3.646 -19.069 561 HG12 ILE 75 HG12 ILE 75 -1.544 5.737 -19.932 562 HG13 ILE 75 HG13 ILE 75 -3.251 5.997 -20.020 563 HG21 ILE 75 HG21 ILE 75 -1.310 3.441 -18.068 564 HG22 ILE 75 HG22 ILE 75 -1.670 2.104 -19.141 565 HG23 ILE 75 HG23 ILE 75 -0.605 3.411 -19.700 566 HD11 ILE 75 HD11 ILE 75 -1.552 5.634 -17.523 567 HD12 ILE 75 HD12 ILE 75 -2.469 7.059 -18.028 568 HD13 ILE 75 HD13 ILE 75 -3.324 5.610 -17.471 569 H LEU 76 H LEU 76 -5.061 2.168 -20.955 570 HA LEU 76 HA LEU 76 -4.138 -0.483 -20.970 571 HB2 LEU 76 HB2 LEU 76 -6.551 0.830 -20.703 572 HB3 LEU 76 HB3 LEU 76 -6.756 0.115 -22.295 573 HG LEU 76 HG LEU 76 -6.319 -2.104 -21.279 574 HD11 LEU 76 HD11 LEU 76 -5.074 -1.442 -19.236 575 HD12 LEU 76 HD12 LEU 76 -6.488 -0.521 -18.677 576 HD13 LEU 76 HD13 LEU 76 -6.554 -2.296 -18.788 577 HD21 LEU 76 HD21 LEU 76 -8.592 -0.495 -20.058 578 HD22 LEU 76 HD22 LEU 76 -8.601 -1.272 -21.657 579 HD23 LEU 76 HD23 LEU 76 -8.527 -2.267 -20.195 580 H GLU 77 H GLU 77 -5.270 1.476 -23.793 581 HA GLU 77 HA GLU 77 -4.617 -0.410 -25.793 582 HB2 GLU 77 HB2 GLU 77 -4.698 2.634 -25.923 583 HB3 GLU 77 HB3 GLU 77 -4.530 1.566 -27.320 584 HG2 GLU 77 HG2 GLU 77 -6.709 0.480 -26.678 585 HG3 GLU 77 HG3 GLU 77 -6.902 1.694 -25.420 586 H HIS 78 H HIS 78 -2.595 2.091 -24.233 587 HA HIS 78 HA HIS 78 -0.249 1.698 -25.822 588 HB2 HIS 78 HB2 HIS 78 -0.898 3.606 -24.153 589 HB3 HIS 78 HB3 HIS 78 -0.232 2.560 -22.914 590 HD1 HIS 78 HD1 HIS 78 2.321 1.551 -24.766 591 HD2 HIS 78 HD2 HIS 78 0.988 5.460 -23.952 592 HE1 HIS 78 HE1 HIS 78 4.346 3.079 -25.082 593 H HIS 79 H HIS 79 -1.356 0.111 -22.826 594 HA HIS 79 HA HIS 79 1.007 -1.424 -22.311 595 HB2 HIS 79 HB2 HIS 79 -0.685 -0.836 -20.624 596 HB3 HIS 79 HB3 HIS 79 -1.894 -1.808 -21.457 597 HD1 HIS 79 HD1 HIS 79 1.236 -2.229 -19.264 598 HD2 HIS 79 HD2 HIS 79 -1.828 -4.466 -21.091 599 HE1 HIS 79 HE1 HIS 79 1.379 -4.577 -18.278 600 H HIS 80 H HIS 80 -2.013 -2.232 -24.061 601 HA HIS 80 HA HIS 80 -1.148 -4.954 -24.693 602 HB2 HIS 80 HB2 HIS 80 -3.551 -3.313 -25.558 603 HB3 HIS 80 HB3 HIS 80 -3.266 -4.993 -26.020 604 HD1 HIS 80 HD1 HIS 80 -4.247 -2.929 -22.968 605 HD2 HIS 80 HD2 HIS 80 -3.556 -6.907 -24.131 606 HE1 HIS 80 HE1 HIS 80 -5.164 -4.398 -21.076 607 H HIS 81 H HIS 81 0.901 -3.621 -25.482 608 HA HIS 81 HA HIS 81 1.039 -2.588 -28.125 609 HB2 HIS 81 HB2 HIS 81 2.724 -2.291 -26.327 610 HB3 HIS 81 HB3 HIS 81 3.146 -4.000 -26.442 611 HD1 HIS 81 HD1 HIS 81 3.027 -1.014 -28.980 612 HD2 HIS 81 HD2 HIS 81 5.287 -4.384 -27.854 613 HE1 HIS 81 HE1 HIS 81 5.023 -1.098 -30.561 614 H HIS 82 H HIS 82 2.173 -3.549 -29.967 615 HA HIS 82 HA HIS 82 0.685 -5.755 -30.921 616 HB2 HIS 82 HB2 HIS 82 3.153 -4.478 -32.151 617 HB3 HIS 82 HB3 HIS 82 1.889 -5.366 -33.001 618 HD1 HIS 82 HD1 HIS 82 -0.735 -3.974 -32.183 619 HD2 HIS 82 HD2 HIS 82 2.927 -1.968 -32.729 620 HE1 HIS 82 HE1 HIS 82 -1.316 -1.529 -32.608 621 H HIS 83 H HIS 83 3.743 -5.859 -29.309 622 HA HIS 83 HA HIS 83 4.977 -8.096 -30.570 623 HB2 HIS 83 HB2 HIS 83 6.133 -6.460 -29.121 624 HB3 HIS 83 HB3 HIS 83 5.257 -7.078 -27.718 625 HD1 HIS 83 HD1 HIS 83 7.808 -8.376 -30.350 626 HD2 HIS 83 HD2 HIS 83 6.372 -9.105 -26.465 627 HE1 HIS 83 HE1 HIS 83 9.303 -10.197 -29.368 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -10.879 -1.584 -8.028 2 H2 MET 1 H2 MET 1 -10.616 -2.792 -6.962 3 H3 MET 1 H3 MET 1 -12.123 -2.534 -7.557 4 HA MET 1 HA MET 1 -12.254 -0.392 -6.463 5 HB2 MET 1 HB2 MET 1 -11.547 -2.711 -4.607 6 HB3 MET 1 HB3 MET 1 -12.206 -1.166 -4.061 7 HG2 MET 1 HG2 MET 1 -14.212 -1.501 -5.469 8 HG3 MET 1 HG3 MET 1 -13.594 -3.080 -5.973 9 HE1 MET 1 HE1 MET 1 -16.504 -2.592 -4.761 10 HE2 MET 1 HE2 MET 1 -15.892 -4.173 -5.299 11 HE3 MET 1 HE3 MET 1 -16.636 -4.006 -3.693 12 H ALA 2 H ALA 2 -11.328 1.184 -5.059 13 HA ALA 2 HA ALA 2 -8.543 1.773 -5.533 14 HB1 ALA 2 HB1 ALA 2 -10.439 2.849 -3.359 15 HB2 ALA 2 HB2 ALA 2 -8.991 3.643 -3.946 16 HB3 ALA 2 HB3 ALA 2 -10.394 3.484 -5.036 17 H THR 3 H THR 3 -6.956 2.232 -4.198 18 HA THR 3 HA THR 3 -6.449 0.385 -1.975 19 HB THR 3 HB THR 3 -4.348 1.722 -1.867 20 HG1 THR 3 HG1 THR 3 -3.813 2.919 -3.740 21 HG21 THR 3 HG21 THR 3 -3.455 0.541 -3.941 22 HG22 THR 3 HG22 THR 3 -4.577 -0.472 -3.002 23 HG23 THR 3 HG23 THR 3 -5.152 0.341 -4.488 24 HA PRO 4 HA PRO 4 -7.950 3.043 0.909 25 HB2 PRO 4 HB2 PRO 4 -5.919 2.310 2.941 26 HB3 PRO 4 HB3 PRO 4 -7.698 2.036 2.903 27 HG2 PRO 4 HG2 PRO 4 -5.837 -0.007 2.443 28 HG3 PRO 4 HG3 PRO 4 -7.474 0.048 1.700 29 HD2 PRO 4 HD2 PRO 4 -4.883 0.748 0.406 30 HD3 PRO 4 HD3 PRO 4 -6.331 -0.109 -0.147 31 H TRP 5 H TRP 5 -7.824 5.148 0.566 32 HA TRP 5 HA TRP 5 -5.531 6.596 -0.044 33 HB2 TRP 5 HB2 TRP 5 -6.861 8.490 -0.145 34 HB3 TRP 5 HB3 TRP 5 -7.898 7.160 -0.620 35 HD1 TRP 5 HD1 TRP 5 -8.840 6.324 2.393 36 HE1 TRP 5 HE1 TRP 5 -10.465 7.832 3.657 37 HE3 TRP 5 HE3 TRP 5 -8.143 10.668 -0.248 38 HZ2 TRP 5 HZ2 TRP 5 -11.379 10.565 3.541 39 HZ3 TRP 5 HZ3 TRP 5 -9.453 12.700 0.331 40 HH2 TRP 5 HH2 TRP 5 -11.057 12.666 2.225 41 H SER 6 H SER 6 -6.639 5.937 3.213 42 HA SER 6 HA SER 6 -5.572 8.110 4.622 43 HB2 SER 6 HB2 SER 6 -5.628 5.198 5.490 44 HB3 SER 6 HB3 SER 6 -5.589 6.615 6.557 45 HG SER 6 HG SER 6 -7.650 7.185 5.818 46 H GLY 7 H GLY 7 -3.770 5.512 3.097 47 HA2 GLY 7 HA2 GLY 7 -1.248 6.088 4.530 48 HA3 GLY 7 HA3 GLY 7 -1.507 4.923 3.231 49 H TYR 8 H TYR 8 -2.868 7.633 2.022 50 HA TYR 8 HA TYR 8 -0.467 8.744 0.756 51 HB2 TYR 8 HB2 TYR 8 -2.946 7.636 -0.628 52 HB3 TYR 8 HB3 TYR 8 -1.580 8.368 -1.443 53 HD1 TYR 8 HD2 TYR 8 0.707 7.222 -1.332 54 HD2 TYR 8 HD1 TYR 8 -2.960 5.301 -0.104 55 HE1 TYR 8 HE2 TYR 8 1.806 4.989 -1.523 56 HE2 TYR 8 HE1 TYR 8 -1.861 3.078 -0.291 57 HH TYR 8 HH TYR 8 0.065 1.939 -0.796 58 H LEU 9 H LEU 9 -3.018 9.531 2.522 59 HA LEU 9 HA LEU 9 -4.781 11.098 1.252 60 HB2 LEU 9 HB2 LEU 9 -5.021 10.443 3.544 61 HB3 LEU 9 HB3 LEU 9 -3.595 11.364 4.030 62 HG LEU 9 HG LEU 9 -4.742 13.472 3.563 63 HD11 LEU 9 HD11 LEU 9 -7.078 13.621 3.007 64 HD12 LEU 9 HD12 LEU 9 -6.256 12.682 1.769 65 HD13 LEU 9 HD13 LEU 9 -7.236 11.838 2.979 66 HD21 LEU 9 HD21 LEU 9 -6.390 11.613 5.322 67 HD22 LEU 9 HD22 LEU 9 -4.916 12.478 5.813 68 HD23 LEU 9 HD23 LEU 9 -6.378 13.391 5.398 69 H ASP 10 H ASP 10 -1.750 12.441 2.561 70 HA ASP 10 HA ASP 10 -2.415 15.107 1.671 71 HB2 ASP 10 HB2 ASP 10 -0.292 15.748 2.660 72 HB3 ASP 10 HB3 ASP 10 -1.101 14.617 3.732 73 H ASP 11 H ASP 11 -1.724 12.691 -0.266 74 HA ASP 11 HA ASP 11 -0.528 14.466 -2.352 75 HB2 ASP 11 HB2 ASP 11 1.019 12.623 -1.703 76 HB3 ASP 11 HB3 ASP 11 -0.232 11.455 -2.132 77 H VAL 12 H VAL 12 -2.935 12.039 -1.527 78 HA VAL 12 HA VAL 12 -4.207 12.051 -4.094 79 HB VAL 12 HB VAL 12 -4.852 10.866 -1.365 80 HG11 VAL 12 HG11 VAL 12 -6.555 9.448 -2.528 81 HG12 VAL 12 HG12 VAL 12 -7.022 11.148 -2.418 82 HG13 VAL 12 HG13 VAL 12 -6.410 10.494 -3.960 83 HG21 VAL 12 HG21 VAL 12 -4.002 9.609 -4.021 84 HG22 VAL 12 HG22 VAL 12 -2.903 9.971 -2.683 85 HG23 VAL 12 HG23 VAL 12 -4.193 8.768 -2.464 86 H SER 13 H SER 13 -5.376 13.092 -0.879 87 HA SER 13 HA SER 13 -7.642 14.561 -1.827 88 HB2 SER 13 HB2 SER 13 -7.412 13.792 0.450 89 HB3 SER 13 HB3 SER 13 -6.003 14.873 0.716 90 HG SER 13 HG SER 13 -8.002 15.776 1.480 91 H ALA 14 H ALA 14 -4.284 15.362 -1.124 92 HA ALA 14 HA ALA 14 -4.514 18.086 -1.189 93 HB1 ALA 14 HB1 ALA 14 -2.094 18.106 -1.436 94 HB2 ALA 14 HB2 ALA 14 -2.669 16.887 -0.273 95 HB3 ALA 14 HB3 ALA 14 -2.149 16.381 -1.913 96 H LYS 15 H LYS 15 -4.165 15.909 -3.984 97 HA LYS 15 HA LYS 15 -3.479 17.771 -5.975 98 HB2 LYS 15 HB2 LYS 15 -3.738 16.094 -7.436 99 HB3 LYS 15 HB3 LYS 15 -3.695 15.134 -5.956 100 HG2 LYS 15 HG2 LYS 15 -6.258 15.182 -6.008 101 HG3 LYS 15 HG3 LYS 15 -6.145 15.859 -7.628 102 HD2 LYS 15 HD2 LYS 15 -4.917 13.221 -6.712 103 HD3 LYS 15 HD3 LYS 15 -6.427 13.388 -7.618 104 HE2 LYS 15 HE2 LYS 15 -5.181 14.464 -9.492 105 HE3 LYS 15 HE3 LYS 15 -3.668 14.228 -8.607 106 HZ1 LYS 15 HZ1 LYS 15 -4.066 11.824 -8.693 107 HZ2 LYS 15 HZ2 LYS 15 -5.461 12.042 -9.520 108 HZ3 LYS 15 HZ3 LYS 15 -4.034 12.443 -10.203 109 H PHE 16 H PHE 16 -6.516 17.161 -4.445 110 HA PHE 16 HA PHE 16 -8.070 18.956 -6.128 111 HB2 PHE 16 HB2 PHE 16 -8.912 17.456 -3.637 112 HB3 PHE 16 HB3 PHE 16 -9.940 18.081 -4.915 113 HD1 PHE 16 HD1 PHE 16 -9.108 17.058 -7.392 114 HD2 PHE 16 HD2 PHE 16 -8.542 15.200 -3.566 115 HE1 PHE 16 HE1 PHE 16 -9.156 14.817 -8.481 116 HE2 PHE 16 HE2 PHE 16 -8.639 12.949 -4.633 117 HZ PHE 16 HZ PHE 16 -8.976 12.759 -7.092 118 H ASP 17 H ASP 17 -6.556 18.897 -2.967 119 HA ASP 17 HA ASP 17 -8.028 20.643 -1.535 120 HB2 ASP 17 HB2 ASP 17 -6.257 19.222 -0.684 121 HB3 ASP 17 HB3 ASP 17 -5.036 20.311 -1.367 122 H THR 18 H THR 18 -5.920 21.743 -4.103 123 HA THR 18 HA THR 18 -6.059 24.513 -3.199 124 HB THR 18 HB THR 18 -3.983 23.454 -4.075 125 HG1 THR 18 HG1 THR 18 -3.374 25.330 -5.130 126 HG21 THR 18 HG21 THR 18 -3.635 23.329 -6.474 127 HG22 THR 18 HG22 THR 18 -5.033 22.319 -6.053 128 HG23 THR 18 HG23 THR 18 -5.285 23.918 -6.787 129 H GLY 19 H GLY 19 -7.710 22.463 -5.516 130 HA2 GLY 19 HA2 GLY 19 -8.917 24.739 -7.004 131 HA3 GLY 19 HA3 GLY 19 -9.177 23.029 -7.317 132 H VAL 20 H VAL 20 -9.905 22.082 -4.784 133 HA VAL 20 HA VAL 20 -12.589 22.919 -4.318 134 HB VAL 20 HB VAL 20 -11.075 20.848 -3.466 135 HG11 VAL 20 HG11 VAL 20 -9.560 22.090 -2.099 136 HG12 VAL 20 HG12 VAL 20 -10.873 22.470 -0.958 137 HG13 VAL 20 HG13 VAL 20 -10.391 20.785 -1.245 138 HG21 VAL 20 HG21 VAL 20 -13.617 21.209 -3.037 139 HG22 VAL 20 HG22 VAL 20 -12.771 20.286 -1.784 140 HG23 VAL 20 HG23 VAL 20 -13.156 22.007 -1.551 141 H ASP 21 H ASP 21 -9.564 24.065 -3.003 142 HA ASP 21 HA ASP 21 -10.755 25.777 -1.142 143 HB2 ASP 21 HB2 ASP 21 -8.585 25.092 -0.796 144 HB3 ASP 21 HB3 ASP 21 -8.068 25.564 -2.400 145 H ASN 22 H ASN 22 -10.379 26.277 -4.613 146 HA ASN 22 HA ASN 22 -10.978 29.086 -4.390 147 HB2 ASN 22 HB2 ASN 22 -11.455 27.094 -6.664 148 HB3 ASN 22 HB3 ASN 22 -11.711 28.828 -6.793 149 HD21 ASN 22 HD22 ASN 22 -9.796 26.974 -8.245 150 HD22 ASN 22 HD21 ASN 22 -8.233 27.746 -8.016 151 H LEU 23 H LEU 23 -12.849 26.135 -4.131 152 HA LEU 23 HA LEU 23 -15.270 27.683 -4.137 153 HB2 LEU 23 HB2 LEU 23 -14.908 25.117 -5.054 154 HB3 LEU 23 HB3 LEU 23 -15.780 24.878 -3.536 155 HG LEU 23 HG LEU 23 -16.466 27.064 -5.555 156 HD11 LEU 23 HD11 LEU 23 -18.557 25.919 -6.276 157 HD12 LEU 23 HD12 LEU 23 -17.016 25.365 -7.011 158 HD13 LEU 23 HD13 LEU 23 -17.792 24.422 -5.720 159 HD21 LEU 23 HD21 LEU 23 -17.496 27.044 -3.170 160 HD22 LEU 23 HD22 LEU 23 -18.651 27.118 -4.509 161 HD23 LEU 23 HD23 LEU 23 -18.297 25.577 -3.744 162 H GLN 24 H GLN 24 -13.335 25.920 -1.776 163 HA GLN 24 HA GLN 24 -14.738 26.431 0.559 164 HB2 GLN 24 HB2 GLN 24 -12.492 25.144 0.169 165 HB3 GLN 24 HB3 GLN 24 -11.751 26.751 0.402 166 HG2 GLN 24 HG2 GLN 24 -11.544 25.758 2.412 167 HG3 GLN 24 HG3 GLN 24 -12.893 26.892 2.614 168 HE21 GLN 24 HE22 GLN 24 -14.960 26.018 3.233 169 HE22 GLN 24 HE21 GLN 24 -15.195 24.293 3.471 170 H THR 25 H THR 25 -12.272 28.578 -1.007 171 HA THR 25 HA THR 25 -12.376 30.685 0.830 172 HB THR 25 HB THR 25 -10.737 30.252 -0.999 173 HG1 THR 25 HG1 THR 25 -10.259 32.450 -1.130 174 HG21 THR 25 HG21 THR 25 -10.920 31.242 -3.134 175 HG22 THR 25 HG22 THR 25 -12.276 30.151 -2.891 176 HG23 THR 25 HG23 THR 25 -12.532 31.912 -2.780 177 H GLN 26 H GLN 26 -14.234 30.155 -2.091 178 HA GLN 26 HA GLN 26 -16.007 32.330 -1.913 179 HB2 GLN 26 HB2 GLN 26 -15.660 29.909 -3.478 180 HB3 GLN 26 HB3 GLN 26 -17.345 30.063 -3.070 181 HG2 GLN 26 HG2 GLN 26 -17.422 32.316 -4.045 182 HG3 GLN 26 HG3 GLN 26 -15.670 32.270 -4.343 183 HE21 GLN 26 HE22 GLN 26 -14.998 30.101 -5.679 184 HE22 GLN 26 HE21 GLN 26 -16.036 29.859 -7.082 185 H VAL 27 H VAL 27 -16.641 28.992 -0.618 186 HA VAL 27 HA VAL 27 -19.091 29.758 0.509 187 HB VAL 27 HB VAL 27 -19.245 27.851 1.665 188 HG11 VAL 27 HG11 VAL 27 -17.127 26.692 -0.141 189 HG12 VAL 27 HG12 VAL 27 -18.740 26.092 0.223 190 HG13 VAL 27 HG13 VAL 27 -18.528 27.469 -0.892 191 HG21 VAL 27 HG21 VAL 27 -17.600 26.276 2.432 192 HG22 VAL 27 HG22 VAL 27 -16.305 27.399 1.975 193 HG23 VAL 27 HG23 VAL 27 -17.479 27.834 3.239 194 H THR 28 H THR 28 -15.783 29.862 1.770 195 HA THR 28 HA THR 28 -16.409 30.622 4.411 196 HB THR 28 HB THR 28 -13.936 31.405 2.906 197 HG1 THR 28 HG1 THR 28 -14.155 29.155 2.841 198 HG21 THR 28 HG21 THR 28 -12.968 31.111 5.250 199 HG22 THR 28 HG22 THR 28 -13.975 32.551 4.898 200 HG23 THR 28 HG23 THR 28 -14.688 31.177 5.795 201 H GLU 29 H GLU 29 -16.027 32.532 1.414 202 HA GLU 29 HA GLU 29 -16.120 34.951 2.881 203 HB2 GLU 29 HB2 GLU 29 -16.367 34.389 -0.040 204 HB3 GLU 29 HB3 GLU 29 -16.506 35.988 0.676 205 HG2 GLU 29 HG2 GLU 29 -14.360 35.804 1.788 206 HG3 GLU 29 HG3 GLU 29 -14.062 34.249 1.078 207 H ALA 30 H ALA 30 -18.635 32.862 1.390 208 HA ALA 30 HA ALA 30 -20.886 34.563 1.900 209 HB1 ALA 30 HB1 ALA 30 -21.056 32.499 0.528 210 HB2 ALA 30 HB2 ALA 30 -20.636 31.514 1.938 211 HB3 ALA 30 HB3 ALA 30 -22.137 32.431 1.951 212 H LEU 31 H LEU 31 -19.144 32.178 3.830 213 HA LEU 31 HA LEU 31 -20.457 32.607 6.286 214 HB2 LEU 31 HB2 LEU 31 -19.041 30.645 5.630 215 HB3 LEU 31 HB3 LEU 31 -17.651 31.708 5.695 216 HG LEU 31 HG LEU 31 -18.370 32.180 8.174 217 HD11 LEU 31 HD11 LEU 31 -19.616 30.484 9.223 218 HD12 LEU 31 HD12 LEU 31 -20.590 30.956 7.808 219 HD13 LEU 31 HD13 LEU 31 -19.627 29.470 7.743 220 HD21 LEU 31 HD21 LEU 31 -17.033 30.342 8.863 221 HD22 LEU 31 HD22 LEU 31 -17.174 29.596 7.197 222 HD23 LEU 31 HD23 LEU 31 -16.349 31.156 7.442 223 H ASP 32 H ASP 32 -17.629 34.364 4.816 224 HA ASP 32 HA ASP 32 -16.992 35.917 7.043 225 HB2 ASP 32 HB2 ASP 32 -15.583 35.966 5.122 226 HB3 ASP 32 HB3 ASP 32 -16.844 36.579 4.072 227 H LYS 33 H LYS 33 -19.684 36.239 4.746 228 HA LYS 33 HA LYS 33 -20.866 38.517 5.973 229 HB2 LYS 33 HB2 LYS 33 -22.488 36.571 4.493 230 HB3 LYS 33 HB3 LYS 33 -22.559 38.345 4.626 231 HG2 LYS 33 HG2 LYS 33 -20.996 36.548 2.844 232 HG3 LYS 33 HG3 LYS 33 -22.063 37.852 2.409 233 HD2 LYS 33 HD2 LYS 33 -20.331 39.458 3.361 234 HD3 LYS 33 HD3 LYS 33 -19.204 38.066 3.450 235 HE2 LYS 33 HE2 LYS 33 -19.516 37.575 1.096 236 HE3 LYS 33 HE3 LYS 33 -20.582 38.983 0.921 237 HZ1 LYS 33 HZ1 LYS 33 -18.273 39.497 0.279 238 HZ2 LYS 33 HZ2 LYS 33 -18.710 40.403 1.564 239 HZ3 LYS 33 HZ3 LYS 33 -17.734 39.112 1.775 240 H LEU 34 H LEU 34 -21.390 35.000 6.292 241 HA LEU 34 HA LEU 34 -23.524 35.252 8.094 242 HB2 LEU 34 HB2 LEU 34 -22.600 33.358 6.555 243 HB3 LEU 34 HB3 LEU 34 -22.032 32.692 8.107 244 HG LEU 34 HG LEU 34 -24.886 33.538 7.420 245 HD11 LEU 34 HD11 LEU 34 -25.367 31.221 7.116 246 HD12 LEU 34 HD12 LEU 34 -24.094 31.798 6.041 247 HD13 LEU 34 HD13 LEU 34 -23.658 30.804 7.461 248 HD21 LEU 34 HD21 LEU 34 -24.453 33.207 9.874 249 HD22 LEU 34 HD22 LEU 34 -25.777 32.279 9.134 250 HD23 LEU 34 HD23 LEU 34 -24.201 31.505 9.558 251 H ALA 35 H ALA 35 -20.117 35.296 8.643 252 HA ALA 35 HA ALA 35 -20.238 35.047 11.522 253 HB1 ALA 35 HB1 ALA 35 -18.023 35.895 9.634 254 HB2 ALA 35 HB2 ALA 35 -17.846 35.466 11.355 255 HB3 ALA 35 HB3 ALA 35 -18.365 34.233 10.172 256 H ALA 36 H ALA 36 -20.680 37.583 9.128 257 HA ALA 36 HA ALA 36 -20.308 39.898 10.845 258 HB1 ALA 36 HB1 ALA 36 -21.393 39.727 7.984 259 HB2 ALA 36 HB2 ALA 36 -20.897 41.174 8.864 260 HB3 ALA 36 HB3 ALA 36 -19.702 39.942 8.463 261 H LYS 37 H LYS 37 -23.185 38.521 9.245 262 HA LYS 37 HA LYS 37 -25.068 39.783 11.253 263 HB2 LYS 37 HB2 LYS 37 -24.689 40.988 8.906 264 HB3 LYS 37 HB3 LYS 37 -25.491 39.583 8.296 265 HG2 LYS 37 HG2 LYS 37 -27.480 40.207 9.810 266 HG3 LYS 37 HG3 LYS 37 -26.641 41.725 10.132 267 HD2 LYS 37 HD2 LYS 37 -27.252 40.690 7.324 268 HD3 LYS 37 HD3 LYS 37 -28.364 41.736 8.234 269 HE2 LYS 37 HE2 LYS 37 -26.570 43.468 8.397 270 HE3 LYS 37 HE3 LYS 37 -25.502 42.440 7.432 271 HZ1 LYS 37 HZ1 LYS 37 -27.118 42.595 5.608 272 HZ2 LYS 37 HZ2 LYS 37 -28.099 43.548 6.501 273 HZ3 LYS 37 HZ3 LYS 37 -26.627 44.087 6.049 274 HA PRO 38 HA PRO 38 -24.739 35.290 9.988 275 HB2 PRO 38 HB2 PRO 38 -25.968 34.434 12.550 276 HB3 PRO 38 HB3 PRO 38 -24.468 33.958 11.726 277 HG2 PRO 38 HG2 PRO 38 -24.878 36.048 13.754 278 HG3 PRO 38 HG3 PRO 38 -23.328 35.412 13.134 279 HD2 PRO 38 HD2 PRO 38 -24.352 37.947 12.601 280 HD3 PRO 38 HD3 PRO 38 -23.171 37.116 11.551 281 H SER 39 H SER 39 -27.906 35.182 11.675 282 HA SER 39 HA SER 39 -28.607 33.425 9.546 283 HB2 SER 39 HB2 SER 39 -30.621 32.988 10.725 284 HB3 SER 39 HB3 SER 39 -29.192 32.820 11.722 285 HG SER 39 HG SER 39 -30.887 33.984 12.817 286 H ASP 40 H ASP 40 -28.364 36.541 9.199 287 HA ASP 40 HA ASP 40 -30.683 37.529 7.918 288 HB2 ASP 40 HB2 ASP 40 -28.757 38.964 8.203 289 HB3 ASP 40 HB3 ASP 40 -27.765 37.935 7.238 290 HA PRO 41 HA PRO 41 -30.760 33.812 5.589 291 HB2 PRO 41 HB2 PRO 41 -33.136 34.049 4.207 292 HB3 PRO 41 HB3 PRO 41 -32.999 33.682 5.959 293 HG2 PRO 41 HG2 PRO 41 -33.426 36.380 4.578 294 HG3 PRO 41 HG3 PRO 41 -34.376 35.699 5.951 295 HD2 PRO 41 HD2 PRO 41 -32.366 37.464 6.351 296 HD3 PRO 41 HD3 PRO 41 -32.641 36.098 7.477 297 H ALA 42 H ALA 42 -30.881 36.885 3.857 298 HA ALA 42 HA ALA 42 -30.547 35.714 1.288 299 HB1 ALA 42 HB1 ALA 42 -31.492 37.948 1.768 300 HB2 ALA 42 HB2 ALA 42 -29.898 38.504 2.324 301 HB3 ALA 42 HB3 ALA 42 -30.126 38.044 0.618 302 H LEU 43 H LEU 43 -28.151 36.914 3.738 303 HA LEU 43 HA LEU 43 -25.897 35.979 2.101 304 HB2 LEU 43 HB2 LEU 43 -24.530 36.804 3.779 305 HB3 LEU 43 HB3 LEU 43 -25.829 37.982 3.615 306 HG LEU 43 HG LEU 43 -26.823 36.698 5.692 307 HD11 LEU 43 HD11 LEU 43 -25.201 35.797 7.152 308 HD12 LEU 43 HD12 LEU 43 -24.927 34.893 5.643 309 HD13 LEU 43 HD13 LEU 43 -23.897 36.237 6.007 310 HD21 LEU 43 HD21 LEU 43 -26.035 38.934 6.044 311 HD22 LEU 43 HD22 LEU 43 -25.276 37.866 7.273 312 HD23 LEU 43 HD23 LEU 43 -24.325 38.403 5.880 313 H LEU 44 H LEU 44 -27.665 34.717 4.995 314 HA LEU 44 HA LEU 44 -25.921 32.420 5.320 315 HB2 LEU 44 HB2 LEU 44 -27.027 32.673 7.227 316 HB3 LEU 44 HB3 LEU 44 -28.353 33.450 6.584 317 HG LEU 44 HG LEU 44 -29.127 31.618 7.717 318 HD11 LEU 44 HD11 LEU 44 -30.495 30.415 6.278 319 HD12 LEU 44 HD12 LEU 44 -30.117 31.838 5.290 320 HD13 LEU 44 HD13 LEU 44 -29.273 30.300 5.011 321 HD21 LEU 44 HD21 LEU 44 -27.260 30.294 7.968 322 HD22 LEU 44 HD22 LEU 44 -28.490 29.277 7.200 323 HD23 LEU 44 HD23 LEU 44 -27.163 29.909 6.189 324 H ALA 45 H ALA 45 -29.004 32.703 3.329 325 HA ALA 45 HA ALA 45 -28.518 29.994 2.631 326 HB1 ALA 45 HB1 ALA 45 -30.391 32.006 1.345 327 HB2 ALA 45 HB2 ALA 45 -30.361 30.234 1.057 328 HB3 ALA 45 HB3 ALA 45 -30.724 30.840 2.679 329 H ALA 46 H ALA 46 -27.138 32.948 1.352 330 HA ALA 46 HA ALA 46 -26.176 31.757 -1.071 331 HB1 ALA 46 HB1 ALA 46 -24.981 34.054 0.522 332 HB2 ALA 46 HB2 ALA 46 -24.599 33.564 -1.153 333 HB3 ALA 46 HB3 ALA 46 -26.213 34.194 -0.761 334 H TYR 47 H TYR 47 -24.989 31.895 2.326 335 HA TYR 47 HA TYR 47 -22.608 30.375 1.951 336 HB2 TYR 47 HB2 TYR 47 -23.331 31.598 4.105 337 HB3 TYR 47 HB3 TYR 47 -24.443 30.365 4.317 338 HD1 TYR 47 HD1 TYR 47 -20.840 29.964 3.388 339 HD2 TYR 47 HD2 TYR 47 -24.094 28.887 5.988 340 HE1 TYR 47 HE1 TYR 47 -19.391 28.288 4.505 341 HE2 TYR 47 HE2 TYR 47 -22.646 27.226 7.118 342 HH TYR 47 HH TYR 47 -20.568 26.248 7.205 343 H GLN 48 H GLN 48 -25.874 29.383 2.914 344 HA GLN 48 HA GLN 48 -25.532 26.658 2.846 345 HB2 GLN 48 HB2 GLN 48 -28.070 28.027 1.944 346 HB3 GLN 48 HB3 GLN 48 -27.870 26.400 2.535 347 HG2 GLN 48 HG2 GLN 48 -27.568 28.814 4.236 348 HG3 GLN 48 HG3 GLN 48 -28.912 27.780 4.203 349 HE21 GLN 48 HE22 GLN 48 -28.576 25.443 4.933 350 HE22 GLN 48 HE21 GLN 48 -27.280 25.145 6.082 351 H SER 49 H SER 49 -26.023 28.820 0.108 352 HA SER 49 HA SER 49 -26.306 26.769 -1.814 353 HB2 SER 49 HB2 SER 49 -25.404 29.732 -2.133 354 HB3 SER 49 HB3 SER 49 -25.714 28.660 -3.487 355 HG SER 49 HG SER 49 -27.582 29.432 -1.471 356 H LYS 50 H LYS 50 -23.509 28.869 -1.011 357 HA LYS 50 HA LYS 50 -21.699 27.596 -2.806 358 HB2 LYS 50 HB2 LYS 50 -21.265 29.333 -0.279 359 HB3 LYS 50 HB3 LYS 50 -20.003 28.848 -1.396 360 HG2 LYS 50 HG2 LYS 50 -22.264 29.925 -2.923 361 HG3 LYS 50 HG3 LYS 50 -21.701 31.062 -1.686 362 HD2 LYS 50 HD2 LYS 50 -20.580 31.474 -3.716 363 HD3 LYS 50 HD3 LYS 50 -19.431 30.804 -2.512 364 HE2 LYS 50 HE2 LYS 50 -18.806 29.297 -4.041 365 HE3 LYS 50 HE3 LYS 50 -20.349 28.539 -3.771 366 HZ1 LYS 50 HZ1 LYS 50 -21.223 30.032 -5.622 367 HZ2 LYS 50 HZ2 LYS 50 -19.674 30.512 -5.900 368 HZ3 LYS 50 HZ3 LYS 50 -20.094 28.964 -6.141 369 H LEU 51 H LEU 51 -22.440 26.911 0.537 370 HA LEU 51 HA LEU 51 -20.673 24.820 1.226 371 HB2 LEU 51 HB2 LEU 51 -22.188 26.020 2.731 372 HB3 LEU 51 HB3 LEU 51 -23.543 25.735 1.731 373 HG LEU 51 HG LEU 51 -22.292 23.546 3.405 374 HD11 LEU 51 HD11 LEU 51 -24.821 25.158 3.921 375 HD12 LEU 51 HD12 LEU 51 -23.979 24.070 5.032 376 HD13 LEU 51 HD13 LEU 51 -23.264 25.642 4.605 377 HD21 LEU 51 HD21 LEU 51 -23.730 22.562 1.678 378 HD22 LEU 51 HD22 LEU 51 -24.683 22.627 3.156 379 HD23 LEU 51 HD23 LEU 51 -24.944 23.846 1.892 380 H SER 52 H SER 52 -23.714 24.734 -0.654 381 HA SER 52 HA SER 52 -23.470 21.912 -1.196 382 HB2 SER 52 HB2 SER 52 -25.202 23.954 -2.616 383 HB3 SER 52 HB3 SER 52 -25.322 22.189 -2.653 384 HG SER 52 HG SER 52 -25.864 23.931 -0.464 385 H GLU 53 H GLU 53 -22.840 24.929 -3.053 386 HA GLU 53 HA GLU 53 -22.188 23.776 -5.489 387 HB2 GLU 53 HB2 GLU 53 -20.834 26.159 -4.303 388 HB3 GLU 53 HB3 GLU 53 -20.776 25.568 -5.968 389 HG2 GLU 53 HG2 GLU 53 -23.059 26.927 -4.641 390 HG3 GLU 53 HG3 GLU 53 -22.005 27.461 -5.940 391 H TYR 54 H TYR 54 -20.212 24.231 -2.601 392 HA TYR 54 HA TYR 54 -17.753 23.397 -3.752 393 HB2 TYR 54 HB2 TYR 54 -17.315 24.708 -1.965 394 HB3 TYR 54 HB3 TYR 54 -18.759 24.343 -1.199 395 HD1 TYR 54 HD1 TYR 54 -19.015 22.247 0.166 396 HD2 TYR 54 HD2 TYR 54 -15.244 23.715 -1.322 397 HE1 TYR 54 HE1 TYR 54 -17.880 21.029 1.935 398 HE2 TYR 54 HE2 TYR 54 -14.067 22.512 0.451 399 HH TYR 54 HH TYR 54 -14.277 21.248 2.388 400 H ASN 55 H ASN 55 -20.371 21.616 -2.164 401 HA ASN 55 HA ASN 55 -18.984 19.132 -2.262 402 HB2 ASN 55 HB2 ASN 55 -21.367 19.960 -1.079 403 HB3 ASN 55 HB3 ASN 55 -21.900 18.985 -2.456 404 HD21 ASN 55 HD22 ASN 55 -20.512 16.876 -2.780 405 HD22 ASN 55 HD21 ASN 55 -20.355 15.941 -1.294 406 H LEU 56 H LEU 56 -21.005 21.010 -4.549 407 HA LEU 56 HA LEU 56 -21.184 19.048 -6.639 408 HB2 LEU 56 HB2 LEU 56 -21.641 21.978 -6.342 409 HB3 LEU 56 HB3 LEU 56 -21.408 21.404 -7.958 410 HG LEU 56 HG LEU 56 -23.410 20.260 -8.020 411 HD11 LEU 56 HD11 LEU 56 -23.354 18.959 -5.927 412 HD12 LEU 56 HD12 LEU 56 -23.686 20.433 -4.994 413 HD13 LEU 56 HD13 LEU 56 -24.898 19.798 -6.121 414 HD21 LEU 56 HD21 LEU 56 -25.026 21.963 -7.362 415 HD22 LEU 56 HD22 LEU 56 -23.904 22.622 -6.145 416 HD23 LEU 56 HD23 LEU 56 -23.523 22.787 -7.854 417 H TYR 57 H TYR 57 -18.795 21.643 -5.902 418 HA TYR 57 HA TYR 57 -17.089 21.231 -8.069 419 HB2 TYR 57 HB2 TYR 57 -16.389 23.016 -6.945 420 HB3 TYR 57 HB3 TYR 57 -16.653 22.402 -5.345 421 HD1 TYR 57 HD1 TYR 57 -15.065 20.454 -4.595 422 HD2 TYR 57 HD2 TYR 57 -14.254 22.926 -8.027 423 HE1 TYR 57 HE1 TYR 57 -12.852 19.387 -4.815 424 HE2 TYR 57 HE2 TYR 57 -11.955 21.985 -8.155 425 HH TYR 57 HH TYR 57 -10.445 20.512 -7.261 426 H ARG 58 H ARG 58 -17.393 19.524 -5.014 427 HA ARG 58 HA ARG 58 -15.544 17.420 -5.326 428 HB2 ARG 58 HB2 ARG 58 -17.445 18.413 -3.450 429 HB3 ARG 58 HB3 ARG 58 -17.977 16.785 -3.723 430 HG2 ARG 58 HG2 ARG 58 -16.599 16.786 -1.823 431 HG3 ARG 58 HG3 ARG 58 -15.571 16.086 -3.102 432 HD2 ARG 58 HD2 ARG 58 -14.603 18.386 -3.461 433 HD3 ARG 58 HD3 ARG 58 -15.576 18.999 -2.145 434 HE ARG 58 HE ARG 58 -13.245 17.149 -1.936 435 HH11 ARG 58 HH21 ARG 58 -15.653 18.996 -0.193 436 HH12 ARG 58 HH22 ARG 58 -14.794 18.886 1.313 437 HH21 ARG 58 HH11 ARG 58 -12.197 17.027 0.024 438 HH22 ARG 58 HH12 ARG 58 -12.902 17.765 1.431 439 H ASN 59 H ASN 59 -18.991 17.559 -6.115 440 HA ASN 59 HA ASN 59 -19.283 14.911 -7.022 441 HB2 ASN 59 HB2 ASN 59 -21.155 16.596 -6.431 442 HB3 ASN 59 HB3 ASN 59 -20.862 17.324 -8.004 443 HD21 ASN 59 HD22 ASN 59 -22.553 16.727 -9.325 444 HD22 ASN 59 HD21 ASN 59 -23.146 15.080 -9.450 445 H ALA 60 H ALA 60 -18.573 17.894 -8.803 446 HA ALA 60 HA ALA 60 -18.257 16.824 -11.397 447 HB1 ALA 60 HB1 ALA 60 -17.054 18.943 -11.821 448 HB2 ALA 60 HB2 ALA 60 -18.545 19.223 -10.887 449 HB3 ALA 60 HB3 ALA 60 -16.972 19.255 -10.072 450 H GLN 61 H GLN 61 -15.905 17.296 -8.736 451 HA GLN 61 HA GLN 61 -13.840 15.836 -10.033 452 HB2 GLN 61 HB2 GLN 61 -13.648 17.655 -8.349 453 HB3 GLN 61 HB3 GLN 61 -13.943 16.392 -7.121 454 HG2 GLN 61 HG2 GLN 61 -11.599 16.308 -7.253 455 HG3 GLN 61 HG3 GLN 61 -11.980 15.126 -8.517 456 HE21 GLN 61 HE22 GLN 61 -11.374 18.698 -8.146 457 HE22 GLN 61 HE21 GLN 61 -10.555 18.807 -9.702 458 H SER 62 H SER 62 -16.431 14.546 -9.573 459 HA SER 62 HA SER 62 -15.333 11.876 -9.251 460 HB2 SER 62 HB2 SER 62 -16.545 12.632 -7.129 461 HB3 SER 62 HB3 SER 62 -18.032 12.571 -8.095 462 HG SER 62 HG SER 62 -17.564 10.581 -6.946 463 H ASN 63 H ASN 63 -16.327 13.909 -11.318 464 HA ASN 63 HA ASN 63 -17.875 12.077 -12.968 465 HB2 ASN 63 HB2 ASN 63 -18.825 14.411 -12.046 466 HB3 ASN 63 HB3 ASN 63 -17.894 15.088 -13.351 467 HD21 ASN 63 HD22 ASN 63 -20.229 15.793 -13.880 468 HD22 ASN 63 HD21 ASN 63 -21.099 14.707 -14.952 469 H THR 64 H THR 64 -15.618 14.794 -13.067 470 HA THR 64 HA THR 64 -14.340 14.480 -15.476 471 HB THR 64 HB THR 64 -14.032 16.242 -13.885 472 HG1 THR 64 HG1 THR 64 -11.850 16.549 -14.217 473 HG21 THR 64 HG21 THR 64 -12.891 16.172 -11.920 474 HG22 THR 64 HG22 THR 64 -13.889 14.705 -11.869 475 HG23 THR 64 HG23 THR 64 -12.143 14.592 -12.245 476 H VAL 65 H VAL 65 -13.606 12.882 -12.541 477 HA VAL 65 HA VAL 65 -11.603 11.066 -13.029 478 HB VAL 65 HB VAL 65 -14.093 10.466 -11.400 479 HG11 VAL 65 HG11 VAL 65 -12.050 8.914 -11.260 480 HG12 VAL 65 HG12 VAL 65 -11.121 10.327 -10.682 481 HG13 VAL 65 HG13 VAL 65 -12.453 9.685 -9.708 482 HG21 VAL 65 HG21 VAL 65 -12.179 12.671 -10.736 483 HG22 VAL 65 HG22 VAL 65 -13.970 12.679 -10.886 484 HG23 VAL 65 HG23 VAL 65 -13.204 11.839 -9.545 485 H LYS 66 H LYS 66 -14.905 10.890 -14.084 486 HA LYS 66 HA LYS 66 -14.698 8.208 -15.257 487 HB2 LYS 66 HB2 LYS 66 -16.948 9.870 -14.051 488 HB3 LYS 66 HB3 LYS 66 -17.313 8.569 -15.179 489 HG2 LYS 66 HG2 LYS 66 -17.656 7.631 -13.121 490 HG3 LYS 66 HG3 LYS 66 -16.093 6.974 -13.602 491 HD2 LYS 66 HD2 LYS 66 -14.933 8.271 -11.986 492 HD3 LYS 66 HD3 LYS 66 -16.240 9.467 -11.888 493 HE2 LYS 66 HE2 LYS 66 -17.707 7.624 -10.904 494 HE3 LYS 66 HE3 LYS 66 -16.247 6.637 -10.772 495 HZ1 LYS 66 HZ1 LYS 66 -16.691 7.815 -8.707 496 HZ2 LYS 66 HZ2 LYS 66 -15.314 8.416 -9.333 497 HZ3 LYS 66 HZ3 LYS 66 -16.719 9.266 -9.432 498 H VAL 67 H VAL 67 -14.220 11.258 -16.164 499 HA VAL 67 HA VAL 67 -15.323 11.045 -18.858 500 HB VAL 67 HB VAL 67 -14.499 13.256 -17.037 501 HG11 VAL 67 HG11 VAL 67 -14.760 13.591 -20.005 502 HG12 VAL 67 HG12 VAL 67 -14.782 14.916 -18.768 503 HG13 VAL 67 HG13 VAL 67 -13.339 13.922 -18.967 504 HG21 VAL 67 HG21 VAL 67 -16.922 12.911 -18.781 505 HG22 VAL 67 HG22 VAL 67 -16.773 12.252 -17.143 506 HG23 VAL 67 HG23 VAL 67 -16.691 14.019 -17.372 507 H PHE 68 H PHE 68 -12.289 11.496 -17.041 508 HA PHE 68 HA PHE 68 -10.534 11.470 -19.239 509 HB2 PHE 68 HB2 PHE 68 -10.410 10.447 -16.388 510 HB3 PHE 68 HB3 PHE 68 -9.014 10.289 -17.472 511 HD1 PHE 68 HD1 PHE 68 -8.473 12.637 -18.810 512 HD2 PHE 68 HD2 PHE 68 -10.326 12.275 -14.931 513 HE1 PHE 68 HE1 PHE 68 -7.838 14.979 -18.281 514 HE2 PHE 68 HE2 PHE 68 -9.756 14.634 -14.435 515 HZ PHE 68 HZ PHE 68 -8.485 15.985 -16.099 516 H LYS 69 H LYS 69 -12.300 8.931 -17.619 517 HA LYS 69 HA LYS 69 -11.654 6.578 -18.983 518 HB2 LYS 69 HB2 LYS 69 -13.136 6.650 -17.006 519 HB3 LYS 69 HB3 LYS 69 -14.175 7.809 -17.775 520 HG2 LYS 69 HG2 LYS 69 -14.022 5.148 -19.133 521 HG3 LYS 69 HG3 LYS 69 -14.820 5.203 -17.567 522 HD2 LYS 69 HD2 LYS 69 -16.531 6.617 -18.260 523 HD3 LYS 69 HD3 LYS 69 -15.616 7.310 -19.587 524 HE2 LYS 69 HE2 LYS 69 -15.722 5.109 -20.787 525 HE3 LYS 69 HE3 LYS 69 -16.774 4.501 -19.501 526 HZ1 LYS 69 HZ1 LYS 69 -18.067 5.363 -21.374 527 HZ2 LYS 69 HZ2 LYS 69 -18.351 6.291 -20.063 528 HZ3 LYS 69 HZ3 LYS 69 -17.381 6.842 -21.263 529 H ASP 70 H ASP 70 -13.639 9.297 -20.059 530 HA ASP 70 HA ASP 70 -14.639 7.940 -22.378 531 HB2 ASP 70 HB2 ASP 70 -15.666 9.923 -20.821 532 HB3 ASP 70 HB3 ASP 70 -15.071 10.842 -22.203 533 H ILE 71 H ILE 71 -12.067 10.234 -21.709 534 HA ILE 71 HA ILE 71 -11.332 10.567 -24.436 535 HB ILE 71 HB ILE 71 -9.800 10.813 -21.808 536 HG12 ILE 71 HG12 ILE 71 -9.428 13.165 -22.622 537 HG13 ILE 71 HG13 ILE 71 -10.480 12.821 -24.005 538 HG21 ILE 71 HG21 ILE 71 -7.788 11.612 -23.039 539 HG22 ILE 71 HG22 ILE 71 -8.095 9.892 -23.230 540 HG23 ILE 71 HG23 ILE 71 -8.512 11.019 -24.551 541 HD11 ILE 71 HD11 ILE 71 -12.365 12.440 -22.515 542 HD12 ILE 71 HD12 ILE 71 -11.282 12.450 -21.102 543 HD13 ILE 71 HD13 ILE 71 -11.587 13.955 -22.009 544 H ASP 72 H ASP 72 -10.415 8.265 -21.924 545 HA ASP 72 HA ASP 72 -8.769 6.651 -23.508 546 HB2 ASP 72 HB2 ASP 72 -8.744 6.791 -21.122 547 HB3 ASP 72 HB3 ASP 72 -10.386 6.250 -21.005 548 H ALA 73 H ALA 73 -12.295 6.369 -22.986 549 HA ALA 73 HA ALA 73 -12.684 4.155 -24.710 550 HB1 ALA 73 HB1 ALA 73 -14.574 6.486 -24.139 551 HB2 ALA 73 HB2 ALA 73 -15.027 4.887 -24.757 552 HB3 ALA 73 HB3 ALA 73 -14.375 5.040 -23.114 553 H ALA 74 H ALA 74 -11.712 7.406 -25.545 554 HA ALA 74 HA ALA 74 -12.377 7.072 -28.354 555 HB1 ALA 74 HB1 ALA 74 -12.585 9.300 -27.150 556 HB2 ALA 74 HB2 ALA 74 -10.814 9.333 -27.060 557 HB3 ALA 74 HB3 ALA 74 -11.609 9.324 -28.637 558 H ILE 75 H ILE 75 -9.527 6.964 -26.214 559 HA ILE 75 HA ILE 75 -7.527 6.416 -28.128 560 HB ILE 75 HB ILE 75 -7.729 5.358 -25.289 561 HG12 ILE 75 HG12 ILE 75 -6.130 7.696 -26.405 562 HG13 ILE 75 HG13 ILE 75 -7.679 7.873 -25.663 563 HG21 ILE 75 HG21 ILE 75 -6.154 3.966 -26.576 564 HG22 ILE 75 HG22 ILE 75 -5.331 5.424 -27.174 565 HG23 ILE 75 HG23 ILE 75 -5.279 4.987 -25.453 566 HD11 ILE 75 HD11 ILE 75 -6.038 8.421 -24.014 567 HD12 ILE 75 HD12 ILE 75 -6.641 6.820 -23.543 568 HD13 ILE 75 HD13 ILE 75 -5.078 6.979 -24.365 569 H LEU 76 H LEU 76 -9.852 4.322 -26.498 570 HA LEU 76 HA LEU 76 -9.424 1.762 -27.642 571 HB2 LEU 76 HB2 LEU 76 -11.733 3.348 -26.575 572 HB3 LEU 76 HB3 LEU 76 -12.070 1.833 -27.320 573 HG LEU 76 HG LEU 76 -11.590 2.219 -24.663 574 HD11 LEU 76 HD11 LEU 76 -12.614 0.324 -25.669 575 HD12 LEU 76 HD12 LEU 76 -11.039 -0.239 -26.322 576 HD13 LEU 76 HD13 LEU 76 -11.352 -0.233 -24.556 577 HD21 LEU 76 HD21 LEU 76 -9.530 1.209 -23.950 578 HD22 LEU 76 HD22 LEU 76 -8.959 1.018 -25.617 579 HD23 LEU 76 HD23 LEU 76 -9.140 2.637 -24.901 580 H GLU 77 H GLU 77 -11.512 4.439 -28.980 581 HA GLU 77 HA GLU 77 -12.060 3.081 -31.419 582 HB2 GLU 77 HB2 GLU 77 -12.165 6.044 -30.745 583 HB3 GLU 77 HB3 GLU 77 -12.733 5.337 -32.258 584 HG2 GLU 77 HG2 GLU 77 -14.302 3.885 -30.963 585 HG3 GLU 77 HG3 GLU 77 -13.834 4.723 -29.494 586 H HIS 78 H HIS 78 -9.339 5.094 -30.460 587 HA HIS 78 HA HIS 78 -8.410 5.949 -32.941 588 HB2 HIS 78 HB2 HIS 78 -7.795 6.669 -30.587 589 HB3 HIS 78 HB3 HIS 78 -6.650 5.346 -30.534 590 HD1 HIS 78 HD1 HIS 78 -5.505 5.924 -33.600 591 HD2 HIS 78 HD2 HIS 78 -6.062 8.601 -30.407 592 HE1 HIS 78 HE1 HIS 78 -3.894 7.871 -34.010 593 H HIS 79 H HIS 79 -8.233 2.659 -31.797 594 HA HIS 79 HA HIS 79 -6.076 1.730 -33.450 595 HB2 HIS 79 HB2 HIS 79 -6.793 -0.407 -32.963 596 HB3 HIS 79 HB3 HIS 79 -7.369 0.485 -31.563 597 HD1 HIS 79 HD1 HIS 79 -10.157 0.932 -31.577 598 HD2 HIS 79 HD2 HIS 79 -8.535 -1.697 -34.429 599 HE1 HIS 79 HE1 HIS 79 -12.135 -0.250 -32.667 600 H HIS 80 H HIS 80 -9.217 2.829 -34.240 601 HA HIS 80 HA HIS 80 -10.696 2.331 -35.940 602 HB2 HIS 80 HB2 HIS 80 -9.583 4.606 -35.845 603 HB3 HIS 80 HB3 HIS 80 -8.608 4.117 -37.223 604 HD1 HIS 80 HD1 HIS 80 -12.301 4.780 -36.265 605 HD2 HIS 80 HD2 HIS 80 -9.802 4.292 -39.618 606 HE1 HIS 80 HE1 HIS 80 -13.708 5.401 -38.300 607 H HIS 81 H HIS 81 -9.920 -0.076 -36.188 608 HA HIS 81 HA HIS 81 -8.819 -0.716 -38.847 609 HB2 HIS 81 HB2 HIS 81 -10.163 -2.351 -36.664 610 HB3 HIS 81 HB3 HIS 81 -9.765 -3.010 -38.245 611 HD1 HIS 81 HD1 HIS 81 -7.176 -0.680 -36.599 612 HD2 HIS 81 HD2 HIS 81 -8.061 -4.763 -37.157 613 HE1 HIS 81 HE1 HIS 81 -5.068 -1.961 -35.974 614 H HIS 82 H HIS 82 -9.959 -0.923 -40.707 615 HA HIS 82 HA HIS 82 -12.710 -0.050 -40.886 616 HB2 HIS 82 HB2 HIS 82 -10.945 0.316 -42.617 617 HB3 HIS 82 HB3 HIS 82 -10.944 -1.416 -42.959 618 HD1 HIS 82 HD1 HIS 82 -12.975 -2.299 -44.492 619 HD2 HIS 82 HD2 HIS 82 -13.168 1.743 -43.329 620 HE1 HIS 82 HE1 HIS 82 -14.867 -1.257 -45.846 621 H HIS 83 H HIS 83 -14.562 -1.218 -41.414 622 HA HIS 83 HA HIS 83 -14.553 -4.116 -41.763 623 HB2 HIS 83 HB2 HIS 83 -14.527 -3.735 -39.253 624 HB3 HIS 83 HB3 HIS 83 -16.080 -2.918 -39.414 625 HD1 HIS 83 HD1 HIS 83 -17.009 -5.299 -41.655 626 HD2 HIS 83 HD2 HIS 83 -15.687 -5.620 -37.678 627 HE1 HIS 83 HE1 HIS 83 -17.908 -7.544 -40.778 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -2.589 -3.600 -9.828 2 H2 MET 1 H2 MET 1 -1.314 -3.662 -10.852 3 H3 MET 1 H3 MET 1 -1.774 -5.006 -10.031 4 HA MET 1 HA MET 1 -1.203 -4.009 -7.940 5 HB2 MET 1 HB2 MET 1 1.162 -4.159 -8.049 6 HB3 MET 1 HB3 MET 1 0.510 -5.365 -9.141 7 HG2 MET 1 HG2 MET 1 1.683 -2.672 -9.963 8 HG3 MET 1 HG3 MET 1 2.520 -4.214 -10.001 9 HE1 MET 1 HE1 MET 1 3.282 -3.677 -12.467 10 HE2 MET 1 HE2 MET 1 2.156 -3.288 -13.787 11 HE3 MET 1 HE3 MET 1 2.366 -2.151 -12.438 12 H ALA 2 H ALA 2 0.042 -2.294 -6.813 13 HA ALA 2 HA ALA 2 0.278 0.362 -8.103 14 HB1 ALA 2 HB1 ALA 2 -1.231 1.408 -6.396 15 HB2 ALA 2 HB2 ALA 2 -2.175 0.214 -7.323 16 HB3 ALA 2 HB3 ALA 2 -1.562 -0.160 -5.682 17 H THR 3 H THR 3 1.140 1.922 -6.924 18 HA THR 3 HA THR 3 3.086 1.137 -4.876 19 HB THR 3 HB THR 3 3.504 3.606 -4.913 20 HG1 THR 3 HG1 THR 3 1.609 4.330 -5.936 21 HG21 THR 3 HG21 THR 3 4.747 3.365 -7.124 22 HG22 THR 3 HG22 THR 3 4.859 1.908 -6.105 23 HG23 THR 3 HG23 THR 3 3.716 1.940 -7.482 24 HA PRO 4 HA PRO 4 0.444 1.893 -1.705 25 HB2 PRO 4 HB2 PRO 4 2.590 2.921 0.071 26 HB3 PRO 4 HB3 PRO 4 1.578 1.435 0.205 27 HG2 PRO 4 HG2 PRO 4 4.269 1.370 -0.568 28 HG3 PRO 4 HG3 PRO 4 3.034 0.194 -1.142 29 HD2 PRO 4 HD2 PRO 4 4.144 2.523 -2.627 30 HD3 PRO 4 HD3 PRO 4 3.713 0.868 -3.101 31 H TRP 5 H TRP 5 -0.959 3.408 -0.962 32 HA TRP 5 HA TRP 5 -1.053 5.835 -2.269 33 HB2 TRP 5 HB2 TRP 5 -2.993 6.350 -0.956 34 HB3 TRP 5 HB3 TRP 5 -2.991 4.641 -1.340 35 HD1 TRP 5 HD1 TRP 5 -2.758 2.928 0.684 36 HE1 TRP 5 HE1 TRP 5 -3.004 3.150 3.228 37 HE3 TRP 5 HE3 TRP 5 -2.631 8.042 1.073 38 HZ2 TRP 5 HZ2 TRP 5 -3.091 5.266 5.188 39 HZ3 TRP 5 HZ3 TRP 5 -2.789 9.131 3.300 40 HH2 TRP 5 HH2 TRP 5 -3.015 7.759 5.358 41 H SER 6 H SER 6 0.098 5.369 1.062 42 HA SER 6 HA SER 6 0.313 8.126 1.717 43 HB2 SER 6 HB2 SER 6 0.273 6.105 3.265 44 HB3 SER 6 HB3 SER 6 1.994 5.888 2.911 45 HG SER 6 HG SER 6 2.285 8.078 3.687 46 H GLY 7 H GLY 7 2.159 6.604 -0.610 47 HA2 GLY 7 HA2 GLY 7 4.245 8.747 -0.507 48 HA3 GLY 7 HA3 GLY 7 4.654 7.080 -0.930 49 H TYR 8 H TYR 8 1.592 8.450 -1.989 50 HA TYR 8 HA TYR 8 2.544 9.228 -4.613 51 HB2 TYR 8 HB2 TYR 8 2.347 6.819 -4.910 52 HB3 TYR 8 HB3 TYR 8 0.766 6.807 -4.146 53 HD1 TYR 8 HD1 TYR 8 2.590 8.199 -7.128 54 HD2 TYR 8 HD2 TYR 8 -1.187 6.922 -5.470 55 HE1 TYR 8 HE1 TYR 8 1.511 8.464 -9.363 56 HE2 TYR 8 HE2 TYR 8 -2.255 7.177 -7.701 57 HH TYR 8 HH TYR 8 -1.963 7.753 -9.901 58 H LEU 9 H LEU 9 -0.284 8.604 -2.574 59 HA LEU 9 HA LEU 9 -2.260 10.072 -3.922 60 HB2 LEU 9 HB2 LEU 9 -2.579 8.436 -2.113 61 HB3 LEU 9 HB3 LEU 9 -1.829 9.522 -0.953 62 HG LEU 9 HG LEU 9 -4.280 9.263 -0.811 63 HD11 LEU 9 HD11 LEU 9 -3.455 12.161 -1.184 64 HD12 LEU 9 HD12 LEU 9 -4.779 11.518 -0.223 65 HD13 LEU 9 HD13 LEU 9 -3.104 11.148 0.226 66 HD21 LEU 9 HD21 LEU 9 -5.755 10.454 -2.333 67 HD22 LEU 9 HD22 LEU 9 -4.372 10.913 -3.357 68 HD23 LEU 9 HD23 LEU 9 -4.829 9.208 -3.184 69 H ASP 10 H ASP 10 0.223 11.195 -1.679 70 HA ASP 10 HA ASP 10 -0.908 13.660 -0.965 71 HB2 ASP 10 HB2 ASP 10 1.299 14.211 -0.103 72 HB3 ASP 10 HB3 ASP 10 0.895 12.539 0.258 73 H ASP 11 H ASP 11 0.540 12.911 -4.023 74 HA ASP 11 HA ASP 11 0.681 15.807 -4.771 75 HB2 ASP 11 HB2 ASP 11 2.596 14.345 -5.376 76 HB3 ASP 11 HB3 ASP 11 1.501 13.310 -6.294 77 H VAL 12 H VAL 12 -1.100 12.866 -5.408 78 HA VAL 12 HA VAL 12 -2.621 13.794 -7.623 79 HB VAL 12 HB VAL 12 -2.912 11.477 -5.670 80 HG11 VAL 12 HG11 VAL 12 -5.122 11.825 -6.546 81 HG12 VAL 12 HG12 VAL 12 -4.491 11.999 -8.211 82 HG13 VAL 12 HG13 VAL 12 -4.404 10.433 -7.366 83 HG21 VAL 12 HG21 VAL 12 -1.972 10.169 -7.519 84 HG22 VAL 12 HG22 VAL 12 -1.890 11.629 -8.535 85 HG23 VAL 12 HG23 VAL 12 -0.878 11.493 -7.086 86 H SER 13 H SER 13 -3.524 13.217 -4.228 87 HA SER 13 HA SER 13 -6.118 14.364 -4.407 88 HB2 SER 13 HB2 SER 13 -5.415 12.741 -2.727 89 HB3 SER 13 HB3 SER 13 -4.361 13.970 -1.977 90 HG SER 13 HG SER 13 -6.427 13.796 -0.940 91 H ALA 14 H ALA 14 -2.920 15.777 -3.751 92 HA ALA 14 HA ALA 14 -3.897 18.152 -2.684 93 HB1 ALA 14 HB1 ALA 14 -1.605 17.568 -2.435 94 HB2 ALA 14 HB2 ALA 14 -1.313 17.754 -4.193 95 HB3 ALA 14 HB3 ALA 14 -1.752 19.163 -3.186 96 H LYS 15 H LYS 15 -3.780 17.115 -6.067 97 HA LYS 15 HA LYS 15 -4.284 19.619 -7.293 98 HB2 LYS 15 HB2 LYS 15 -4.280 18.519 -9.193 99 HB3 LYS 15 HB3 LYS 15 -3.726 17.152 -8.239 100 HG2 LYS 15 HG2 LYS 15 -6.178 16.422 -8.082 101 HG3 LYS 15 HG3 LYS 15 -6.564 17.687 -9.246 102 HD2 LYS 15 HD2 LYS 15 -4.577 15.416 -9.679 103 HD3 LYS 15 HD3 LYS 15 -6.249 15.429 -10.261 104 HE2 LYS 15 HE2 LYS 15 -5.774 17.424 -11.649 105 HE3 LYS 15 HE3 LYS 15 -4.106 17.451 -11.062 106 HZ1 LYS 15 HZ1 LYS 15 -3.763 15.276 -12.090 107 HZ2 LYS 15 HZ2 LYS 15 -5.307 15.229 -12.627 108 HZ3 LYS 15 HZ3 LYS 15 -4.268 16.343 -13.214 109 H PHE 16 H PHE 16 -6.428 17.366 -5.670 110 HA PHE 16 HA PHE 16 -8.877 18.750 -6.246 111 HB2 PHE 16 HB2 PHE 16 -8.286 16.959 -3.853 112 HB3 PHE 16 HB3 PHE 16 -9.830 17.531 -4.380 113 HD1 PHE 16 HD1 PHE 16 -7.014 15.671 -6.174 114 HD2 PHE 16 HD2 PHE 16 -11.136 15.719 -4.926 115 HE1 PHE 16 HE1 PHE 16 -7.401 13.578 -7.406 116 HE2 PHE 16 HE2 PHE 16 -11.511 13.586 -6.126 117 HZ PHE 16 HZ PHE 16 -9.656 12.521 -7.397 118 H ASP 17 H ASP 17 -6.574 18.635 -3.514 119 HA ASP 17 HA ASP 17 -7.844 20.271 -1.753 120 HB2 ASP 17 HB2 ASP 17 -5.847 18.812 -1.366 121 HB3 ASP 17 HB3 ASP 17 -4.839 20.097 -2.042 122 H THR 18 H THR 18 -6.000 21.521 -4.475 123 HA THR 18 HA THR 18 -6.212 24.247 -3.448 124 HB THR 18 HB THR 18 -4.102 23.325 -4.421 125 HG1 THR 18 HG1 THR 18 -3.616 25.286 -5.383 126 HG21 THR 18 HG21 THR 18 -5.501 23.887 -7.062 127 HG22 THR 18 HG22 THR 18 -3.817 23.360 -6.829 128 HG23 THR 18 HG23 THR 18 -5.154 22.259 -6.434 129 H GLY 19 H GLY 19 -7.772 22.246 -5.894 130 HA2 GLY 19 HA2 GLY 19 -9.140 24.497 -7.219 131 HA3 GLY 19 HA3 GLY 19 -9.449 22.784 -7.476 132 H VAL 20 H VAL 20 -9.976 21.933 -4.848 133 HA VAL 20 HA VAL 20 -12.611 22.733 -4.259 134 HB VAL 20 HB VAL 20 -11.024 20.753 -3.359 135 HG11 VAL 20 HG11 VAL 20 -9.595 22.107 -1.937 136 HG12 VAL 20 HG12 VAL 20 -10.996 22.518 -0.919 137 HG13 VAL 20 HG13 VAL 20 -10.458 20.835 -1.066 138 HG21 VAL 20 HG21 VAL 20 -13.544 20.978 -3.118 139 HG22 VAL 20 HG22 VAL 20 -12.773 20.239 -1.708 140 HG23 VAL 20 HG23 VAL 20 -13.265 21.956 -1.682 141 H ASP 21 H ASP 21 -9.573 24.011 -3.109 142 HA ASP 21 HA ASP 21 -10.734 25.760 -1.262 143 HB2 ASP 21 HB2 ASP 21 -8.538 25.103 -0.942 144 HB3 ASP 21 HB3 ASP 21 -8.073 25.521 -2.567 145 H ASN 22 H ASN 22 -10.448 26.207 -4.744 146 HA ASN 22 HA ASN 22 -11.037 29.018 -4.600 147 HB2 ASN 22 HB2 ASN 22 -11.661 26.890 -6.737 148 HB3 ASN 22 HB3 ASN 22 -11.908 28.614 -6.965 149 HD21 ASN 22 HD22 ASN 22 -10.073 26.633 -8.371 150 HD22 ASN 22 HD21 ASN 22 -8.501 27.416 -8.289 151 H LEU 23 H LEU 23 -12.934 26.091 -4.307 152 HA LEU 23 HA LEU 23 -15.419 27.547 -4.310 153 HB2 LEU 23 HB2 LEU 23 -14.784 24.910 -4.934 154 HB3 LEU 23 HB3 LEU 23 -15.583 24.770 -3.391 155 HG LEU 23 HG LEU 23 -17.152 24.681 -5.235 156 HD11 LEU 23 HD11 LEU 23 -17.736 26.040 -3.086 157 HD12 LEU 23 HD12 LEU 23 -17.616 27.465 -4.119 158 HD13 LEU 23 HD13 LEU 23 -18.761 26.171 -4.500 159 HD21 LEU 23 HD21 LEU 23 -16.428 25.788 -7.085 160 HD22 LEU 23 HD22 LEU 23 -17.972 26.539 -6.567 161 HD23 LEU 23 HD23 LEU 23 -16.424 27.376 -6.263 162 H GLN 24 H GLN 24 -13.368 25.953 -1.923 163 HA GLN 24 HA GLN 24 -14.764 26.476 0.414 164 HB2 GLN 24 HB2 GLN 24 -12.516 25.180 -0.021 165 HB3 GLN 24 HB3 GLN 24 -11.771 26.778 0.264 166 HG2 GLN 24 HG2 GLN 24 -11.603 25.676 2.238 167 HG3 GLN 24 HG3 GLN 24 -12.915 26.859 2.467 168 HE21 GLN 24 HE22 GLN 24 -12.126 23.388 2.305 169 HE22 GLN 24 HE21 GLN 24 -13.725 22.846 2.791 170 H THR 25 H THR 25 -12.299 28.588 -1.181 171 HA THR 25 HA THR 25 -12.367 30.717 0.633 172 HB THR 25 HB THR 25 -10.756 30.247 -1.207 173 HG1 THR 25 HG1 THR 25 -10.268 32.445 -1.385 174 HG21 THR 25 HG21 THR 25 -10.953 31.221 -3.355 175 HG22 THR 25 HG22 THR 25 -12.270 30.097 -3.078 176 HG23 THR 25 HG23 THR 25 -12.583 31.852 -3.002 177 H GLN 26 H GLN 26 -14.270 30.166 -2.257 178 HA GLN 26 HA GLN 26 -16.049 32.330 -2.034 179 HB2 GLN 26 HB2 GLN 26 -15.808 29.833 -3.576 180 HB3 GLN 26 HB3 GLN 26 -17.467 30.120 -3.145 181 HG2 GLN 26 HG2 GLN 26 -17.459 32.320 -4.158 182 HG3 GLN 26 HG3 GLN 26 -15.703 32.240 -4.433 183 HE21 GLN 26 HE22 GLN 26 -15.050 30.077 -5.772 184 HE22 GLN 26 HE21 GLN 26 -16.075 29.861 -7.191 185 H VAL 27 H VAL 27 -16.679 28.999 -0.720 186 HA VAL 27 HA VAL 27 -19.096 29.796 0.457 187 HB VAL 27 HB VAL 27 -19.265 27.884 1.594 188 HG11 VAL 27 HG11 VAL 27 -18.810 26.145 0.119 189 HG12 VAL 27 HG12 VAL 27 -18.592 27.536 -0.979 190 HG13 VAL 27 HG13 VAL 27 -17.192 26.722 -0.254 191 HG21 VAL 27 HG21 VAL 27 -17.491 27.828 3.149 192 HG22 VAL 27 HG22 VAL 27 -17.605 26.284 2.317 193 HG23 VAL 27 HG23 VAL 27 -16.319 27.419 1.874 194 H THR 28 H THR 28 -15.779 29.869 1.674 195 HA THR 28 HA THR 28 -16.369 30.648 4.317 196 HB THR 28 HB THR 28 -13.919 31.406 2.757 197 HG1 THR 28 HG1 THR 28 -14.143 29.160 2.730 198 HG21 THR 28 HG21 THR 28 -14.628 31.224 5.666 199 HG22 THR 28 HG22 THR 28 -12.916 31.151 5.098 200 HG23 THR 28 HG23 THR 28 -13.929 32.586 4.743 201 H GLU 29 H GLU 29 -16.052 32.538 1.299 202 HA GLU 29 HA GLU 29 -16.126 34.965 2.762 203 HB2 GLU 29 HB2 GLU 29 -16.417 34.398 -0.147 204 HB3 GLU 29 HB3 GLU 29 -16.544 35.995 0.563 205 HG2 GLU 29 HG2 GLU 29 -14.388 35.807 1.661 206 HG3 GLU 29 HG3 GLU 29 -14.088 34.261 0.925 207 H ALA 30 H ALA 30 -18.666 32.849 1.358 208 HA ALA 30 HA ALA 30 -20.902 34.579 1.915 209 HB1 ALA 30 HB1 ALA 30 -21.156 32.538 0.530 210 HB2 ALA 30 HB2 ALA 30 -20.638 31.520 1.881 211 HB3 ALA 30 HB3 ALA 30 -22.149 32.414 2.010 212 H LEU 31 H LEU 31 -19.106 32.189 3.784 213 HA LEU 31 HA LEU 31 -20.378 32.589 6.267 214 HB2 LEU 31 HB2 LEU 31 -18.926 30.656 5.543 215 HB3 LEU 31 HB3 LEU 31 -17.559 31.749 5.644 216 HG LEU 31 HG LEU 31 -18.293 32.141 8.124 217 HD11 LEU 31 HD11 LEU 31 -20.502 30.902 7.708 218 HD12 LEU 31 HD12 LEU 31 -19.523 29.429 7.624 219 HD13 LEU 31 HD13 LEU 31 -19.537 30.415 9.123 220 HD21 LEU 31 HD21 LEU 31 -17.056 29.609 7.051 221 HD22 LEU 31 HD22 LEU 31 -16.258 31.168 7.380 222 HD23 LEU 31 HD23 LEU 31 -16.934 30.267 8.752 223 H ASP 32 H ASP 32 -17.598 34.383 4.755 224 HA ASP 32 HA ASP 32 -16.937 35.935 6.973 225 HB2 ASP 32 HB2 ASP 32 -15.561 36.050 5.042 226 HB3 ASP 32 HB3 ASP 32 -16.865 36.544 3.990 227 H LYS 33 H LYS 33 -19.713 36.196 4.784 228 HA LYS 33 HA LYS 33 -20.883 38.464 6.049 229 HB2 LYS 33 HB2 LYS 33 -22.516 36.535 4.559 230 HB3 LYS 33 HB3 LYS 33 -22.588 38.305 4.719 231 HG2 LYS 33 HG2 LYS 33 -21.058 36.528 2.894 232 HG3 LYS 33 HG3 LYS 33 -22.105 37.856 2.486 233 HD2 LYS 33 HD2 LYS 33 -20.324 39.409 3.458 234 HD3 LYS 33 HD3 LYS 33 -19.227 37.993 3.484 235 HE2 LYS 33 HE2 LYS 33 -19.541 37.580 1.141 236 HE3 LYS 33 HE3 LYS 33 -20.604 38.996 1.000 237 HZ1 LYS 33 HZ1 LYS 33 -18.735 40.395 1.671 238 HZ2 LYS 33 HZ2 LYS 33 -17.766 39.103 1.892 239 HZ3 LYS 33 HZ3 LYS 33 -18.272 39.500 0.385 240 H LEU 34 H LEU 34 -21.378 34.941 6.305 241 HA LEU 34 HA LEU 34 -23.470 35.140 8.160 242 HB2 LEU 34 HB2 LEU 34 -22.565 33.281 6.565 243 HB3 LEU 34 HB3 LEU 34 -21.964 32.588 8.094 244 HG LEU 34 HG LEU 34 -24.836 33.439 7.489 245 HD11 LEU 34 HD11 LEU 34 -24.087 31.749 6.038 246 HD12 LEU 34 HD12 LEU 34 -23.602 30.704 7.406 247 HD13 LEU 34 HD13 LEU 34 -25.322 31.128 7.134 248 HD21 LEU 34 HD21 LEU 34 -25.685 32.139 9.185 249 HD22 LEU 34 HD22 LEU 34 -24.105 31.340 9.543 250 HD23 LEU 34 HD23 LEU 34 -24.330 33.032 9.921 251 H ALA 35 H ALA 35 -20.057 35.223 8.637 252 HA ALA 35 HA ALA 35 -20.123 34.925 11.517 253 HB1 ALA 35 HB1 ALA 35 -17.733 35.387 11.301 254 HB2 ALA 35 HB2 ALA 35 -18.264 34.153 10.127 255 HB3 ALA 35 HB3 ALA 35 -17.953 35.820 9.585 256 H ALA 36 H ALA 36 -20.644 37.496 9.176 257 HA ALA 36 HA ALA 36 -20.241 39.778 10.926 258 HB1 ALA 36 HB1 ALA 36 -19.698 39.875 8.528 259 HB2 ALA 36 HB2 ALA 36 -21.399 39.644 8.089 260 HB3 ALA 36 HB3 ALA 36 -20.903 41.086 8.981 261 H LYS 37 H LYS 37 -23.140 38.385 9.388 262 HA LYS 37 HA LYS 37 -24.983 39.584 11.464 263 HB2 LYS 37 HB2 LYS 37 -24.681 40.849 9.134 264 HB3 LYS 37 HB3 LYS 37 -25.485 39.448 8.517 265 HG2 LYS 37 HG2 LYS 37 -27.428 40.019 10.125 266 HG3 LYS 37 HG3 LYS 37 -26.600 41.550 10.420 267 HD2 LYS 37 HD2 LYS 37 -27.312 40.521 7.635 268 HD3 LYS 37 HD3 LYS 37 -28.404 41.538 8.596 269 HE2 LYS 37 HE2 LYS 37 -26.642 43.308 8.680 270 HE3 LYS 37 HE3 LYS 37 -25.596 42.300 7.670 271 HZ1 LYS 37 HZ1 LYS 37 -27.299 42.413 5.921 272 HZ2 LYS 37 HZ2 LYS 37 -28.256 43.351 6.856 273 HZ3 LYS 37 HZ3 LYS 37 -26.819 43.917 6.334 274 HA PRO 38 HA PRO 38 -24.642 35.116 10.084 275 HB2 PRO 38 HB2 PRO 38 -25.798 34.205 12.660 276 HB3 PRO 38 HB3 PRO 38 -24.320 33.750 11.784 277 HG2 PRO 38 HG2 PRO 38 -24.667 35.786 13.873 278 HG3 PRO 38 HG3 PRO 38 -23.136 35.185 13.175 279 HD2 PRO 38 HD2 PRO 38 -24.220 37.721 12.752 280 HD3 PRO 38 HD3 PRO 38 -23.051 36.940 11.651 281 H SER 39 H SER 39 -27.756 34.922 11.851 282 HA SER 39 HA SER 39 -28.493 33.220 9.691 283 HB2 SER 39 HB2 SER 39 -30.477 32.733 10.915 284 HB3 SER 39 HB3 SER 39 -29.016 32.545 11.864 285 HG SER 39 HG SER 39 -30.675 33.664 13.049 286 H ASP 40 H ASP 40 -28.298 36.346 9.429 287 HA ASP 40 HA ASP 40 -30.657 37.349 8.241 288 HB2 ASP 40 HB2 ASP 40 -28.734 38.785 8.517 289 HB3 ASP 40 HB3 ASP 40 -27.766 37.801 7.480 290 HA PRO 41 HA PRO 41 -30.775 33.709 5.796 291 HB2 PRO 41 HB2 PRO 41 -33.188 33.982 4.480 292 HB3 PRO 41 HB3 PRO 41 -33.004 33.549 6.213 293 HG2 PRO 41 HG2 PRO 41 -33.478 36.297 4.947 294 HG3 PRO 41 HG3 PRO 41 -34.392 35.557 6.317 295 HD2 PRO 41 HD2 PRO 41 -32.385 37.317 6.740 296 HD3 PRO 41 HD3 PRO 41 -32.618 35.900 7.813 297 H ALA 42 H ALA 42 -30.960 36.838 4.178 298 HA ALA 42 HA ALA 42 -30.689 35.769 1.557 299 HB1 ALA 42 HB1 ALA 42 -30.007 38.519 2.689 300 HB2 ALA 42 HB2 ALA 42 -30.285 38.126 0.972 301 HB3 ALA 42 HB3 ALA 42 -31.614 37.980 2.156 302 H LEU 43 H LEU 43 -28.222 36.889 3.980 303 HA LEU 43 HA LEU 43 -26.017 36.013 2.260 304 HB2 LEU 43 HB2 LEU 43 -24.599 36.802 3.915 305 HB3 LEU 43 HB3 LEU 43 -25.913 37.973 3.823 306 HG LEU 43 HG LEU 43 -26.839 36.618 5.887 307 HD11 LEU 43 HD11 LEU 43 -23.898 36.170 6.097 308 HD12 LEU 43 HD12 LEU 43 -25.165 35.696 7.273 309 HD13 LEU 43 HD13 LEU 43 -24.937 34.829 5.738 310 HD21 LEU 43 HD21 LEU 43 -26.059 38.849 6.276 311 HD22 LEU 43 HD22 LEU 43 -25.252 37.758 7.449 312 HD23 LEU 43 HD23 LEU 43 -24.345 38.337 6.040 313 H LEU 44 H LEU 44 -27.690 34.664 5.155 314 HA LEU 44 HA LEU 44 -25.931 32.368 5.378 315 HB2 LEU 44 HB2 LEU 44 -26.989 32.557 7.314 316 HB3 LEU 44 HB3 LEU 44 -28.337 33.346 6.731 317 HG LEU 44 HG LEU 44 -29.065 31.470 7.827 318 HD11 LEU 44 HD11 LEU 44 -30.123 31.766 5.432 319 HD12 LEU 44 HD12 LEU 44 -29.285 30.241 5.083 320 HD13 LEU 44 HD13 LEU 44 -30.471 30.313 6.385 321 HD21 LEU 44 HD21 LEU 44 -27.181 30.153 7.975 322 HD22 LEU 44 HD22 LEU 44 -28.434 29.154 7.217 323 HD23 LEU 44 HD23 LEU 44 -27.145 29.821 6.184 324 H ALA 45 H ALA 45 -29.057 32.710 3.454 325 HA ALA 45 HA ALA 45 -28.588 30.022 2.667 326 HB1 ALA 45 HB1 ALA 45 -30.469 32.071 1.458 327 HB2 ALA 45 HB2 ALA 45 -30.455 30.308 1.134 328 HB3 ALA 45 HB3 ALA 45 -30.795 30.884 2.771 329 H ALA 46 H ALA 46 -27.228 33.010 1.448 330 HA ALA 46 HA ALA 46 -26.309 31.888 -1.023 331 HB1 ALA 46 HB1 ALA 46 -25.084 34.140 0.614 332 HB2 ALA 46 HB2 ALA 46 -24.731 33.709 -1.078 333 HB3 ALA 46 HB3 ALA 46 -26.341 34.312 -0.637 334 H TYR 47 H TYR 47 -25.044 31.933 2.350 335 HA TYR 47 HA TYR 47 -22.683 30.402 1.909 336 HB2 TYR 47 HB2 TYR 47 -23.374 31.587 4.090 337 HB3 TYR 47 HB3 TYR 47 -24.487 30.350 4.297 338 HD1 TYR 47 HD1 TYR 47 -20.840 30.146 3.473 339 HD2 TYR 47 HD2 TYR 47 -24.158 28.708 5.797 340 HE1 TYR 47 HE1 TYR 47 -19.368 28.434 4.509 341 HE2 TYR 47 HE2 TYR 47 -22.691 27.015 6.855 342 HH TYR 47 HH TYR 47 -20.579 26.116 6.958 343 H GLN 48 H GLN 48 -25.957 29.407 2.851 344 HA GLN 48 HA GLN 48 -25.610 26.679 2.706 345 HB2 GLN 48 HB2 GLN 48 -28.163 28.079 1.887 346 HB3 GLN 48 HB3 GLN 48 -27.960 26.434 2.423 347 HG2 GLN 48 HG2 GLN 48 -27.614 28.782 4.205 348 HG3 GLN 48 HG3 GLN 48 -28.974 27.770 4.152 349 HE21 GLN 48 HE22 GLN 48 -28.695 25.423 4.818 350 HE22 GLN 48 HE21 GLN 48 -27.384 25.053 5.928 351 H SER 49 H SER 49 -26.130 28.923 0.031 352 HA SER 49 HA SER 49 -26.385 26.938 -1.950 353 HB2 SER 49 HB2 SER 49 -26.897 29.584 -2.032 354 HB3 SER 49 HB3 SER 49 -25.207 29.741 -2.522 355 HG SER 49 HG SER 49 -25.677 28.377 -4.313 356 H LYS 50 H LYS 50 -23.590 28.958 -0.978 357 HA LYS 50 HA LYS 50 -21.794 27.798 -2.840 358 HB2 LYS 50 HB2 LYS 50 -21.336 29.393 -0.238 359 HB3 LYS 50 HB3 LYS 50 -20.078 28.971 -1.381 360 HG2 LYS 50 HG2 LYS 50 -22.390 30.216 -2.761 361 HG3 LYS 50 HG3 LYS 50 -21.668 31.238 -1.536 362 HD2 LYS 50 HD2 LYS 50 -20.649 31.679 -3.609 363 HD3 LYS 50 HD3 LYS 50 -19.477 30.929 -2.487 364 HE2 LYS 50 HE2 LYS 50 -18.962 29.431 -4.076 365 HE3 LYS 50 HE3 LYS 50 -20.537 28.753 -3.826 366 HZ1 LYS 50 HZ1 LYS 50 -20.283 29.307 -6.169 367 HZ2 LYS 50 HZ2 LYS 50 -21.329 30.422 -5.581 368 HZ3 LYS 50 HZ3 LYS 50 -19.749 30.801 -5.851 369 H LEU 51 H LEU 51 -22.548 26.957 0.439 370 HA LEU 51 HA LEU 51 -20.815 24.835 1.070 371 HB2 LEU 51 HB2 LEU 51 -22.305 25.977 2.585 372 HB3 LEU 51 HB3 LEU 51 -23.666 25.761 1.573 373 HG LEU 51 HG LEU 51 -22.439 23.487 3.154 374 HD11 LEU 51 HD11 LEU 51 -23.377 25.553 4.428 375 HD12 LEU 51 HD12 LEU 51 -24.941 25.117 3.730 376 HD13 LEU 51 HD13 LEU 51 -24.117 23.978 4.805 377 HD21 LEU 51 HD21 LEU 51 -25.094 23.871 1.664 378 HD22 LEU 51 HD22 LEU 51 -23.887 22.597 1.376 379 HD23 LEU 51 HD23 LEU 51 -24.828 22.590 2.865 380 H SER 52 H SER 52 -23.795 24.877 -0.909 381 HA SER 52 HA SER 52 -23.570 22.096 -1.610 382 HB2 SER 52 HB2 SER 52 -25.243 24.233 -2.951 383 HB3 SER 52 HB3 SER 52 -25.371 22.476 -3.105 384 HG SER 52 HG SER 52 -25.938 24.064 -0.806 385 H GLU 53 H GLU 53 -22.794 25.188 -3.289 386 HA GLU 53 HA GLU 53 -22.026 24.138 -5.755 387 HB2 GLU 53 HB2 GLU 53 -20.840 26.444 -4.299 388 HB3 GLU 53 HB3 GLU 53 -20.468 25.919 -5.958 389 HG2 GLU 53 HG2 GLU 53 -22.933 27.294 -5.013 390 HG3 GLU 53 HG3 GLU 53 -21.568 27.823 -6.035 391 H TYR 54 H TYR 54 -20.207 24.413 -2.732 392 HA TYR 54 HA TYR 54 -17.706 23.528 -3.743 393 HB2 TYR 54 HB2 TYR 54 -17.244 24.513 -1.776 394 HB3 TYR 54 HB3 TYR 54 -18.842 24.308 -1.189 395 HD1 TYR 54 HD1 TYR 54 -15.665 22.526 -1.864 396 HD2 TYR 54 HD2 TYR 54 -19.201 22.762 0.587 397 HE1 TYR 54 HE1 TYR 54 -14.785 20.754 -0.447 398 HE2 TYR 54 HE2 TYR 54 -18.353 20.972 2.027 399 HH TYR 54 HH TYR 54 -16.606 19.478 2.422 400 H ASN 55 H ASN 55 -20.461 21.736 -2.363 401 HA ASN 55 HA ASN 55 -19.193 19.221 -2.715 402 HB2 ASN 55 HB2 ASN 55 -21.561 20.104 -1.512 403 HB3 ASN 55 HB3 ASN 55 -22.078 19.107 -2.881 404 HD21 ASN 55 HD22 ASN 55 -20.086 19.107 0.077 405 HD22 ASN 55 HD21 ASN 55 -20.121 17.360 0.264 406 H LEU 56 H LEU 56 -21.044 21.324 -4.943 407 HA LEU 56 HA LEU 56 -21.212 19.477 -7.140 408 HB2 LEU 56 HB2 LEU 56 -21.442 22.424 -6.746 409 HB3 LEU 56 HB3 LEU 56 -21.202 21.910 -8.354 410 HG LEU 56 HG LEU 56 -23.280 20.942 -8.571 411 HD11 LEU 56 HD11 LEU 56 -24.868 20.403 -6.767 412 HD12 LEU 56 HD12 LEU 56 -23.397 19.435 -6.638 413 HD13 LEU 56 HD13 LEU 56 -23.646 20.820 -5.553 414 HD21 LEU 56 HD21 LEU 56 -23.274 23.443 -8.151 415 HD22 LEU 56 HD22 LEU 56 -24.833 22.644 -7.829 416 HD23 LEU 56 HD23 LEU 56 -23.765 23.112 -6.487 417 H TYR 57 H TYR 57 -18.734 21.917 -6.208 418 HA TYR 57 HA TYR 57 -16.914 21.425 -8.279 419 HB2 TYR 57 HB2 TYR 57 -16.293 23.188 -6.961 420 HB3 TYR 57 HB3 TYR 57 -16.545 22.347 -5.460 421 HD1 TYR 57 HD1 TYR 57 -15.020 20.559 -4.720 422 HD2 TYR 57 HD2 TYR 57 -14.188 22.846 -8.272 423 HE1 TYR 57 HE1 TYR 57 -12.886 19.341 -4.980 424 HE2 TYR 57 HE2 TYR 57 -11.985 21.708 -8.485 425 HH TYR 57 HH TYR 57 -10.625 20.059 -7.698 426 H ARG 58 H ARG 58 -17.490 19.703 -5.257 427 HA ARG 58 HA ARG 58 -15.705 17.538 -5.609 428 HB2 ARG 58 HB2 ARG 58 -17.514 18.556 -3.658 429 HB3 ARG 58 HB3 ARG 58 -18.184 16.990 -4.024 430 HG2 ARG 58 HG2 ARG 58 -16.822 16.768 -2.134 431 HG3 ARG 58 HG3 ARG 58 -15.904 16.020 -3.467 432 HD2 ARG 58 HD2 ARG 58 -14.807 18.390 -3.697 433 HD3 ARG 58 HD3 ARG 58 -15.477 18.725 -2.113 434 HE ARG 58 HE ARG 58 -13.350 16.751 -2.810 435 HH11 ARG 58 HH21 ARG 58 -15.184 18.189 -0.168 436 HH12 ARG 58 HH22 ARG 58 -14.078 17.584 1.020 437 HH21 ARG 58 HH11 ARG 58 -12.005 16.014 -1.219 438 HH22 ARG 58 HH12 ARG 58 -12.345 16.381 0.445 439 H ASN 59 H ASN 59 -19.094 17.878 -6.554 440 HA ASN 59 HA ASN 59 -19.535 15.242 -7.430 441 HB2 ASN 59 HB2 ASN 59 -21.311 17.031 -7.012 442 HB3 ASN 59 HB3 ASN 59 -20.839 17.753 -8.547 443 HD21 ASN 59 HD22 ASN 59 -22.289 17.211 -10.142 444 HD22 ASN 59 HD21 ASN 59 -23.039 15.630 -10.277 445 H ALA 60 H ALA 60 -18.476 18.130 -9.190 446 HA ALA 60 HA ALA 60 -17.931 16.938 -11.714 447 HB1 ALA 60 HB1 ALA 60 -18.233 19.385 -11.234 448 HB2 ALA 60 HB2 ALA 60 -16.770 19.377 -10.255 449 HB3 ALA 60 HB3 ALA 60 -16.644 19.064 -12.005 450 H GLN 61 H GLN 61 -15.820 17.552 -8.898 451 HA GLN 61 HA GLN 61 -13.759 15.861 -9.910 452 HB2 GLN 61 HB2 GLN 61 -13.542 17.911 -8.545 453 HB3 GLN 61 HB3 GLN 61 -13.938 16.890 -7.140 454 HG2 GLN 61 HG2 GLN 61 -11.603 16.738 -7.156 455 HG3 GLN 61 HG3 GLN 61 -12.005 15.324 -8.156 456 HE21 GLN 61 HE22 GLN 61 -9.508 16.049 -8.386 457 HE22 GLN 61 HE21 GLN 61 -9.231 16.975 -9.860 458 H SER 62 H SER 62 -16.226 14.728 -9.645 459 HA SER 62 HA SER 62 -15.461 12.141 -8.566 460 HB2 SER 62 HB2 SER 62 -16.985 13.031 -6.910 461 HB3 SER 62 HB3 SER 62 -18.230 13.291 -8.151 462 HG SER 62 HG SER 62 -18.402 11.297 -6.904 463 H ASN 63 H ASN 63 -17.208 14.068 -10.947 464 HA ASN 63 HA ASN 63 -17.854 11.937 -12.674 465 HB2 ASN 63 HB2 ASN 63 -18.678 14.446 -12.470 466 HB3 ASN 63 HB3 ASN 63 -17.298 14.871 -13.408 467 HD21 ASN 63 HD22 ASN 63 -18.449 15.622 -15.232 468 HD22 ASN 63 HD21 ASN 63 -19.349 14.517 -16.259 469 H THR 64 H THR 64 -15.255 14.307 -12.838 470 HA THR 64 HA THR 64 -13.781 13.421 -15.005 471 HB THR 64 HB THR 64 -13.474 15.465 -13.812 472 HG1 THR 64 HG1 THR 64 -11.266 15.570 -13.886 473 HG21 THR 64 HG21 THR 64 -12.594 15.751 -11.711 474 HG22 THR 64 HG22 THR 64 -13.772 14.432 -11.523 475 HG23 THR 64 HG23 THR 64 -12.020 14.073 -11.586 476 H VAL 65 H VAL 65 -13.534 12.417 -11.759 477 HA VAL 65 HA VAL 65 -11.560 10.485 -11.672 478 HB VAL 65 HB VAL 65 -14.187 10.307 -10.208 479 HG11 VAL 65 HG11 VAL 65 -11.296 10.166 -9.234 480 HG12 VAL 65 HG12 VAL 65 -12.738 9.809 -8.265 481 HG13 VAL 65 HG13 VAL 65 -12.291 8.729 -9.605 482 HG21 VAL 65 HG21 VAL 65 -13.335 12.028 -8.596 483 HG22 VAL 65 HG22 VAL 65 -12.147 12.509 -9.819 484 HG23 VAL 65 HG23 VAL 65 -13.898 12.645 -10.148 485 H LYS 66 H LYS 66 -14.849 10.244 -12.838 486 HA LYS 66 HA LYS 66 -14.685 7.434 -13.594 487 HB2 LYS 66 HB2 LYS 66 -16.834 9.396 -12.902 488 HB3 LYS 66 HB3 LYS 66 -17.246 8.190 -14.117 489 HG2 LYS 66 HG2 LYS 66 -17.756 6.783 -12.456 490 HG3 LYS 66 HG3 LYS 66 -16.036 6.605 -12.176 491 HD2 LYS 66 HD2 LYS 66 -16.964 7.102 -10.070 492 HD3 LYS 66 HD3 LYS 66 -16.200 8.608 -10.581 493 HE2 LYS 66 HE2 LYS 66 -18.420 9.453 -11.343 494 HE3 LYS 66 HE3 LYS 66 -19.161 7.895 -10.948 495 HZ1 LYS 66 HZ1 LYS 66 -17.966 9.798 -9.000 496 HZ2 LYS 66 HZ2 LYS 66 -19.549 9.468 -9.174 497 HZ3 LYS 66 HZ3 LYS 66 -18.546 8.317 -8.601 498 H VAL 67 H VAL 67 -13.705 10.132 -14.984 499 HA VAL 67 HA VAL 67 -14.334 9.353 -17.739 500 HB VAL 67 HB VAL 67 -13.605 11.907 -16.347 501 HG11 VAL 67 HG11 VAL 67 -13.366 11.440 -19.291 502 HG12 VAL 67 HG12 VAL 67 -13.453 13.060 -18.445 503 HG13 VAL 67 HG13 VAL 67 -12.106 11.966 -18.129 504 HG21 VAL 67 HG21 VAL 67 -15.923 11.096 -16.556 505 HG22 VAL 67 HG22 VAL 67 -15.625 12.692 -17.285 506 HG23 VAL 67 HG23 VAL 67 -15.767 11.219 -18.317 507 H PHE 68 H PHE 68 -11.618 10.070 -15.531 508 HA PHE 68 HA PHE 68 -9.566 9.324 -17.322 509 HB2 PHE 68 HB2 PHE 68 -9.935 9.132 -14.323 510 HB3 PHE 68 HB3 PHE 68 -8.416 8.654 -15.100 511 HD1 PHE 68 HD2 PHE 68 -7.533 10.535 -16.902 512 HD2 PHE 68 HD1 PHE 68 -9.936 11.293 -13.402 513 HE1 PHE 68 HE2 PHE 68 -6.815 12.912 -16.917 514 HE2 PHE 68 HE1 PHE 68 -9.261 13.674 -13.449 515 HZ PHE 68 HZ PHE 68 -7.684 14.489 -15.199 516 H LYS 69 H LYS 69 -11.864 7.468 -15.455 517 HA LYS 69 HA LYS 69 -11.219 4.796 -15.927 518 HB2 LYS 69 HB2 LYS 69 -13.072 5.388 -14.500 519 HB3 LYS 69 HB3 LYS 69 -13.771 6.432 -15.711 520 HG2 LYS 69 HG2 LYS 69 -13.681 3.502 -16.359 521 HG3 LYS 69 HG3 LYS 69 -14.818 4.045 -15.135 522 HD2 LYS 69 HD2 LYS 69 -16.090 5.330 -16.584 523 HD3 LYS 69 HD3 LYS 69 -14.787 5.596 -17.725 524 HE2 LYS 69 HE2 LYS 69 -14.884 3.166 -18.369 525 HE3 LYS 69 HE3 LYS 69 -16.300 2.990 -17.322 526 HZ1 LYS 69 HZ1 LYS 69 -16.117 4.796 -19.703 527 HZ2 LYS 69 HZ2 LYS 69 -16.972 3.409 -19.609 528 HZ3 LYS 69 HZ3 LYS 69 -17.413 4.692 -18.705 529 H ASP 70 H ASP 70 -12.521 7.186 -18.182 530 HA ASP 70 HA ASP 70 -13.166 5.265 -20.194 531 HB2 ASP 70 HB2 ASP 70 -14.252 7.624 -19.584 532 HB3 ASP 70 HB3 ASP 70 -13.155 8.132 -20.867 533 H ILE 71 H ILE 71 -10.454 7.345 -19.533 534 HA ILE 71 HA ILE 71 -9.091 6.751 -21.981 535 HB ILE 71 HB ILE 71 -8.233 7.825 -19.248 536 HG12 ILE 71 HG12 ILE 71 -7.436 9.771 -20.563 537 HG13 ILE 71 HG13 ILE 71 -8.060 9.027 -22.045 538 HG21 ILE 71 HG21 ILE 71 -6.301 7.058 -21.465 539 HG22 ILE 71 HG22 ILE 71 -5.902 8.101 -20.080 540 HG23 ILE 71 HG23 ILE 71 -6.356 6.426 -19.795 541 HD11 ILE 71 HD11 ILE 71 -9.560 10.762 -20.888 542 HD12 ILE 71 HD12 ILE 71 -10.327 9.200 -21.244 543 HD13 ILE 71 HD13 ILE 71 -9.768 9.552 -19.590 544 H ASP 72 H ASP 72 -9.106 5.428 -18.706 545 HA ASP 72 HA ASP 72 -7.343 3.305 -19.177 546 HB2 ASP 72 HB2 ASP 72 -7.864 4.269 -17.060 547 HB3 ASP 72 HB3 ASP 72 -9.552 3.842 -17.222 548 H ALA 73 H ALA 73 -10.866 3.408 -19.651 549 HA ALA 73 HA ALA 73 -11.211 0.735 -20.484 550 HB1 ALA 73 HB1 ALA 73 -13.216 1.649 -21.669 551 HB2 ALA 73 HB2 ALA 73 -13.067 2.311 -20.029 552 HB3 ALA 73 HB3 ALA 73 -12.609 3.301 -21.427 553 H ALA 74 H ALA 74 -9.894 3.546 -22.288 554 HA ALA 74 HA ALA 74 -9.553 2.133 -24.757 555 HB1 ALA 74 HB1 ALA 74 -8.098 4.633 -23.803 556 HB2 ALA 74 HB2 ALA 74 -8.353 4.094 -25.465 557 HB3 ALA 74 HB3 ALA 74 -9.729 4.651 -24.485 558 H ILE 75 H ILE 75 -7.481 2.631 -21.891 559 HA ILE 75 HA ILE 75 -5.185 1.291 -22.864 560 HB ILE 75 HB ILE 75 -6.144 1.502 -19.992 561 HG12 ILE 75 HG12 ILE 75 -4.010 3.083 -21.472 562 HG13 ILE 75 HG13 ILE 75 -5.638 3.633 -21.295 563 HG21 ILE 75 HG21 ILE 75 -4.557 -0.369 -20.175 564 HG22 ILE 75 HG22 ILE 75 -3.419 0.663 -21.070 565 HG23 ILE 75 HG23 ILE 75 -3.798 0.986 -19.365 566 HD11 ILE 75 HD11 ILE 75 -5.272 3.540 -18.747 567 HD12 ILE 75 HD12 ILE 75 -3.563 3.227 -19.106 568 HD13 ILE 75 HD13 ILE 75 -4.313 4.738 -19.636 569 H LEU 76 H LEU 76 -8.069 0.046 -21.168 570 HA LEU 76 HA LEU 76 -7.562 -2.753 -21.185 571 HB2 LEU 76 HB2 LEU 76 -9.888 -0.893 -21.022 572 HB3 LEU 76 HB3 LEU 76 -10.289 -2.469 -21.651 573 HG LEU 76 HG LEU 76 -9.550 -3.551 -19.668 574 HD11 LEU 76 HD11 LEU 76 -8.776 -2.393 -17.654 575 HD12 LEU 76 HD12 LEU 76 -7.631 -2.135 -18.975 576 HD13 LEU 76 HD13 LEU 76 -8.768 -0.847 -18.521 577 HD21 LEU 76 HD21 LEU 76 -11.825 -2.607 -19.720 578 HD22 LEU 76 HD22 LEU 76 -11.175 -2.674 -18.074 579 HD23 LEU 76 HD23 LEU 76 -11.222 -1.124 -18.943 580 H GLU 77 H GLU 77 -9.267 -0.787 -23.663 581 HA GLU 77 HA GLU 77 -9.494 -2.784 -25.601 582 HB2 GLU 77 HB2 GLU 77 -10.728 -0.615 -25.463 583 HB3 GLU 77 HB3 GLU 77 -9.270 0.219 -25.998 584 HG2 GLU 77 HG2 GLU 77 -10.790 -0.019 -27.840 585 HG3 GLU 77 HG3 GLU 77 -9.352 -0.971 -28.141 586 H HIS 78 H HIS 78 -6.731 -0.595 -25.017 587 HA HIS 78 HA HIS 78 -5.224 -1.038 -27.329 588 HB2 HIS 78 HB2 HIS 78 -4.785 0.641 -25.509 589 HB3 HIS 78 HB3 HIS 78 -4.181 -0.656 -24.497 590 HD1 HIS 78 HD1 HIS 78 -1.655 -1.264 -24.772 591 HD2 HIS 78 HD2 HIS 78 -3.284 1.076 -27.876 592 HE1 HIS 78 HE1 HIS 78 0.305 -0.565 -26.248 593 H HIS 79 H HIS 79 -5.809 -3.322 -24.773 594 HA HIS 79 HA HIS 79 -3.923 -5.283 -26.029 595 HB2 HIS 79 HB2 HIS 79 -4.653 -4.970 -23.095 596 HB3 HIS 79 HB3 HIS 79 -3.638 -6.246 -23.768 597 HD1 HIS 79 HD1 HIS 79 -1.199 -5.413 -24.797 598 HD2 HIS 79 HD2 HIS 79 -3.475 -2.619 -22.625 599 HE1 HIS 79 HE1 HIS 79 0.374 -3.482 -24.252 600 H HIS 80 H HIS 80 -6.974 -4.606 -26.105 601 HA HIS 80 HA HIS 80 -9.031 -5.385 -26.033 602 HB2 HIS 80 HB2 HIS 80 -7.779 -7.817 -27.324 603 HB3 HIS 80 HB3 HIS 80 -9.436 -7.258 -27.513 604 HD1 HIS 80 HD1 HIS 80 -9.354 -4.417 -28.535 605 HD2 HIS 80 HD2 HIS 80 -6.304 -7.220 -29.351 606 HE1 HIS 80 HE1 HIS 80 -8.157 -3.589 -30.615 607 H HIS 81 H HIS 81 -7.038 -7.891 -24.410 608 HA HIS 81 HA HIS 81 -9.357 -8.745 -22.784 609 HB2 HIS 81 HB2 HIS 81 -9.391 -9.981 -25.017 610 HB3 HIS 81 HB3 HIS 81 -7.831 -10.673 -24.592 611 HD1 HIS 81 HD1 HIS 81 -7.902 -12.661 -22.748 612 HD2 HIS 81 HD2 HIS 81 -11.582 -10.822 -23.655 613 HE1 HIS 81 HE1 HIS 81 -9.717 -14.161 -21.759 614 H HIS 82 H HIS 82 -8.737 -10.405 -21.179 615 HA HIS 82 HA HIS 82 -6.291 -9.933 -19.740 616 HB2 HIS 82 HB2 HIS 82 -8.426 -10.668 -18.729 617 HB3 HIS 82 HB3 HIS 82 -8.344 -12.184 -19.624 618 HD1 HIS 82 HD1 HIS 82 -6.311 -10.349 -16.851 619 HD2 HIS 82 HD2 HIS 82 -7.148 -14.168 -18.417 620 HE1 HIS 82 HE1 HIS 82 -5.203 -12.024 -15.281 621 H HIS 83 H HIS 83 -4.534 -11.374 -19.392 622 HA HIS 83 HA HIS 83 -4.071 -13.671 -21.172 623 HB2 HIS 83 HB2 HIS 83 -3.333 -11.718 -22.505 624 HB3 HIS 83 HB3 HIS 83 -2.274 -11.209 -21.193 625 HD1 HIS 83 HD1 HIS 83 0.006 -12.630 -20.893 626 HD2 HIS 83 HD2 HIS 83 -2.566 -13.856 -23.984 627 HE1 HIS 83 HE1 HIS 83 1.356 -14.243 -22.343 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -3.076 -5.148 -11.742 2 H2 MET 1 H2 MET 1 -3.959 -5.964 -10.626 3 H3 MET 1 H3 MET 1 -4.490 -4.526 -11.207 4 HA MET 1 HA MET 1 -3.625 -4.199 -9.008 5 HB2 MET 1 HB2 MET 1 -1.134 -5.509 -10.174 6 HB3 MET 1 HB3 MET 1 -1.083 -4.465 -8.755 7 HG2 MET 1 HG2 MET 1 -1.187 -6.707 -7.984 8 HG3 MET 1 HG3 MET 1 -2.701 -5.907 -7.586 9 HE1 MET 1 HE1 MET 1 -3.879 -9.586 -7.992 10 HE2 MET 1 HE2 MET 1 -2.383 -8.980 -7.248 11 HE3 MET 1 HE3 MET 1 -3.918 -8.121 -6.985 12 H ALA 2 H ALA 2 -2.701 -2.205 -8.434 13 HA ALA 2 HA ALA 2 -2.766 -0.172 -10.481 14 HB1 ALA 2 HB1 ALA 2 -1.522 -0.007 -7.672 15 HB2 ALA 2 HB2 ALA 2 -2.142 1.325 -8.605 16 HB3 ALA 2 HB3 ALA 2 -3.293 0.129 -7.954 17 H THR 3 H THR 3 -1.410 1.422 -10.803 18 HA THR 3 HA THR 3 1.434 0.844 -11.339 19 HB THR 3 HB THR 3 1.337 3.271 -11.983 20 HG1 THR 3 HG1 THR 3 -0.744 4.149 -12.305 21 HG21 THR 3 HG21 THR 3 0.059 2.768 -14.087 22 HG22 THR 3 HG22 THR 3 1.091 1.409 -13.586 23 HG23 THR 3 HG23 THR 3 -0.668 1.347 -13.266 24 HA PRO 4 HA PRO 4 2.773 2.495 -7.610 25 HB2 PRO 4 HB2 PRO 4 4.826 4.119 -9.046 26 HB3 PRO 4 HB3 PRO 4 5.002 2.878 -7.741 27 HG2 PRO 4 HG2 PRO 4 5.571 2.273 -10.373 28 HG3 PRO 4 HG3 PRO 4 4.705 1.100 -9.309 29 HD2 PRO 4 HD2 PRO 4 3.485 2.905 -11.364 30 HD3 PRO 4 HD3 PRO 4 3.285 1.189 -10.983 31 H TRP 5 H TRP 5 0.570 3.947 -8.278 32 HA TRP 5 HA TRP 5 0.514 6.719 -8.406 33 HB2 TRP 5 HB2 TRP 5 -1.356 5.061 -8.540 34 HB3 TRP 5 HB3 TRP 5 -1.311 4.922 -6.791 35 HD1 TRP 5 HD1 TRP 5 -2.302 6.962 -5.389 36 HE1 TRP 5 HE1 TRP 5 -3.945 8.841 -5.995 37 HE3 TRP 5 HE3 TRP 5 -1.978 6.715 -10.499 38 HZ2 TRP 5 HZ2 TRP 5 -4.998 10.071 -8.379 39 HZ3 TRP 5 HZ3 TRP 5 -3.334 8.245 -11.915 40 HH2 TRP 5 HH2 TRP 5 -4.851 9.913 -10.870 41 H SER 6 H SER 6 1.008 4.776 -5.475 42 HA SER 6 HA SER 6 0.858 6.849 -3.542 43 HB2 SER 6 HB2 SER 6 2.129 5.259 -2.112 44 HB3 SER 6 HB3 SER 6 0.745 4.522 -2.943 45 HG SER 6 HG SER 6 2.650 3.222 -3.073 46 H GLY 7 H GLY 7 3.405 6.265 -5.844 47 HA2 GLY 7 HA2 GLY 7 5.425 7.854 -4.358 48 HA3 GLY 7 HA3 GLY 7 5.640 6.990 -5.879 49 H TYR 8 H TYR 8 2.829 8.654 -6.333 50 HA TYR 8 HA TYR 8 4.058 11.162 -7.220 51 HB2 TYR 8 HB2 TYR 8 4.055 9.429 -9.021 52 HB3 TYR 8 HB3 TYR 8 2.311 9.307 -8.867 53 HD1 TYR 8 HD2 TYR 8 4.254 12.549 -8.917 54 HD2 TYR 8 HD1 TYR 8 1.789 9.775 -11.131 55 HE1 TYR 8 HE2 TYR 8 4.036 14.202 -10.748 56 HE2 TYR 8 HE1 TYR 8 1.593 11.437 -12.976 57 HH TYR 8 HH TYR 8 3.164 14.656 -12.817 58 H LEU 9 H LEU 9 1.420 9.612 -5.779 59 HA LEU 9 HA LEU 9 -0.875 10.851 -6.123 60 HB2 LEU 9 HB2 LEU 9 -0.569 9.105 -4.514 61 HB3 LEU 9 HB3 LEU 9 0.564 10.066 -3.567 62 HG LEU 9 HG LEU 9 -1.266 11.561 -2.843 63 HD11 LEU 9 HD11 LEU 9 -2.727 11.215 -4.854 64 HD12 LEU 9 HD12 LEU 9 -3.125 9.600 -4.230 65 HD13 LEU 9 HD13 LEU 9 -3.569 11.072 -3.308 66 HD21 LEU 9 HD21 LEU 9 -1.829 8.602 -2.392 67 HD22 LEU 9 HD22 LEU 9 -0.675 9.601 -1.481 68 HD23 LEU 9 HD23 LEU 9 -2.410 9.946 -1.383 69 H ASP 10 H ASP 10 1.577 12.311 -3.999 70 HA ASP 10 HA ASP 10 -0.151 14.467 -3.249 71 HB2 ASP 10 HB2 ASP 10 1.668 13.336 -1.870 72 HB3 ASP 10 HB3 ASP 10 2.866 14.201 -2.832 73 H ASP 11 H ASP 11 1.206 14.191 -6.172 74 HA ASP 11 HA ASP 11 1.118 17.149 -6.583 75 HB2 ASP 11 HB2 ASP 11 3.449 16.175 -6.781 76 HB3 ASP 11 HB3 ASP 11 2.867 15.179 -8.115 77 H VAL 12 H VAL 12 -0.473 14.312 -7.104 78 HA VAL 12 HA VAL 12 -1.764 15.178 -9.605 79 HB VAL 12 HB VAL 12 -1.482 12.443 -8.292 80 HG11 VAL 12 HG11 VAL 12 -3.107 13.219 -10.750 81 HG12 VAL 12 HG12 VAL 12 -2.658 11.555 -10.315 82 HG13 VAL 12 HG13 VAL 12 -3.705 12.480 -9.236 83 HG21 VAL 12 HG21 VAL 12 -0.298 11.849 -10.363 84 HG22 VAL 12 HG22 VAL 12 -0.497 13.509 -10.972 85 HG23 VAL 12 HG23 VAL 12 0.499 13.191 -9.535 86 H SER 13 H SER 13 -2.632 13.437 -6.606 87 HA SER 13 HA SER 13 -5.369 14.261 -6.586 88 HB2 SER 13 HB2 SER 13 -4.492 12.336 -5.378 89 HB3 SER 13 HB3 SER 13 -3.516 13.415 -4.329 90 HG SER 13 HG SER 13 -5.546 12.767 -3.373 91 H ALA 14 H ALA 14 -2.384 15.696 -5.296 92 HA ALA 14 HA ALA 14 -3.629 17.576 -3.706 93 HB1 ALA 14 HB1 ALA 14 -1.554 18.824 -3.688 94 HB2 ALA 14 HB2 ALA 14 -1.274 17.083 -3.522 95 HB3 ALA 14 HB3 ALA 14 -0.958 17.893 -5.088 96 H LYS 15 H LYS 15 -3.601 17.548 -7.186 97 HA LYS 15 HA LYS 15 -3.979 20.269 -7.802 98 HB2 LYS 15 HB2 LYS 15 -4.688 19.604 -9.865 99 HB3 LYS 15 HB3 LYS 15 -3.711 18.226 -9.366 100 HG2 LYS 15 HG2 LYS 15 -5.927 17.091 -8.664 101 HG3 LYS 15 HG3 LYS 15 -6.773 18.412 -9.459 102 HD2 LYS 15 HD2 LYS 15 -4.749 16.569 -10.796 103 HD3 LYS 15 HD3 LYS 15 -6.508 16.390 -10.882 104 HE2 LYS 15 HE2 LYS 15 -6.683 18.617 -11.974 105 HE3 LYS 15 HE3 LYS 15 -4.925 18.796 -11.896 106 HZ1 LYS 15 HZ1 LYS 15 -5.628 17.974 -14.066 107 HZ2 LYS 15 HZ2 LYS 15 -4.723 16.836 -13.327 108 HZ3 LYS 15 HZ3 LYS 15 -6.347 16.668 -13.405 109 H PHE 16 H PHE 16 -6.202 17.870 -6.500 110 HA PHE 16 HA PHE 16 -8.531 19.498 -6.515 111 HB2 PHE 16 HB2 PHE 16 -9.426 17.529 -6.121 112 HB3 PHE 16 HB3 PHE 16 -7.872 16.786 -5.863 113 HD1 PHE 16 HD1 PHE 16 -10.566 18.717 -4.119 114 HD2 PHE 16 HD2 PHE 16 -7.310 15.931 -3.687 115 HE1 PHE 16 HE1 PHE 16 -11.122 18.436 -1.709 116 HE2 PHE 16 HE2 PHE 16 -7.872 15.645 -1.291 117 HZ PHE 16 HZ PHE 16 -9.768 16.909 -0.292 118 H ASP 17 H ASP 17 -6.041 18.870 -4.031 119 HA ASP 17 HA ASP 17 -7.365 20.060 -1.938 120 HB2 ASP 17 HB2 ASP 17 -5.363 18.577 -1.826 121 HB3 ASP 17 HB3 ASP 17 -4.353 19.921 -2.357 122 H THR 18 H THR 18 -5.781 21.817 -4.487 123 HA THR 18 HA THR 18 -6.206 24.339 -3.047 124 HB THR 18 HB THR 18 -3.927 23.758 -3.911 125 HG1 THR 18 HG1 THR 18 -3.558 25.878 -4.507 126 HG21 THR 18 HG21 THR 18 -5.118 24.576 -6.590 127 HG22 THR 18 HG22 THR 18 -3.414 24.208 -6.238 128 HG23 THR 18 HG23 THR 18 -4.629 22.919 -6.157 129 H GLY 19 H GLY 19 -7.369 22.533 -5.837 130 HA2 GLY 19 HA2 GLY 19 -8.856 24.735 -7.041 131 HA3 GLY 19 HA3 GLY 19 -9.116 23.017 -7.324 132 H VAL 20 H VAL 20 -9.645 22.136 -4.696 133 HA VAL 20 HA VAL 20 -12.322 22.830 -4.144 134 HB VAL 20 HB VAL 20 -10.678 20.900 -3.251 135 HG11 VAL 20 HG11 VAL 20 -10.630 22.638 -0.807 136 HG12 VAL 20 HG12 VAL 20 -10.090 20.958 -0.978 137 HG13 VAL 20 HG13 VAL 20 -9.246 22.230 -1.860 138 HG21 VAL 20 HG21 VAL 20 -12.427 20.352 -1.575 139 HG22 VAL 20 HG22 VAL 20 -12.948 22.056 -1.567 140 HG23 VAL 20 HG23 VAL 20 -13.204 21.062 -2.996 141 H ASP 21 H ASP 21 -9.354 24.210 -2.920 142 HA ASP 21 HA ASP 21 -10.659 25.885 -1.082 143 HB2 ASP 21 HB2 ASP 21 -8.473 25.278 -0.639 144 HB3 ASP 21 HB3 ASP 21 -7.909 25.753 -2.215 145 H ASN 22 H ASN 22 -10.309 26.339 -4.534 146 HA ASN 22 HA ASN 22 -10.948 29.141 -4.417 147 HB2 ASN 22 HB2 ASN 22 -11.537 26.995 -6.548 148 HB3 ASN 22 HB3 ASN 22 -11.797 28.713 -6.781 149 HD21 ASN 22 HD22 ASN 22 -9.971 26.779 -8.213 150 HD22 ASN 22 HD21 ASN 22 -8.396 27.557 -8.125 151 H LEU 23 H LEU 23 -12.783 26.173 -4.123 152 HA LEU 23 HA LEU 23 -15.308 27.556 -4.156 153 HB2 LEU 23 HB2 LEU 23 -14.597 24.949 -4.773 154 HB3 LEU 23 HB3 LEU 23 -15.362 24.777 -3.216 155 HG LEU 23 HG LEU 23 -16.957 24.613 -5.015 156 HD11 LEU 23 HD11 LEU 23 -17.552 25.994 -2.881 157 HD12 LEU 23 HD12 LEU 23 -17.516 27.394 -3.950 158 HD13 LEU 23 HD13 LEU 23 -18.617 26.043 -4.273 159 HD21 LEU 23 HD21 LEU 23 -16.354 27.311 -6.106 160 HD22 LEU 23 HD22 LEU 23 -16.311 25.707 -6.897 161 HD23 LEU 23 HD23 LEU 23 -17.874 26.407 -6.369 162 H GLN 24 H GLN 24 -13.254 25.991 -1.733 163 HA GLN 24 HA GLN 24 -14.670 26.549 0.592 164 HB2 GLN 24 HB2 GLN 24 -12.445 25.247 0.256 165 HB3 GLN 24 HB3 GLN 24 -11.683 26.853 0.440 166 HG2 GLN 24 HG2 GLN 24 -11.582 25.783 2.498 167 HG3 GLN 24 HG3 GLN 24 -12.716 27.142 2.595 168 HE21 GLN 24 HE22 GLN 24 -14.385 26.630 3.990 169 HE22 GLN 24 HE21 GLN 24 -15.173 25.060 4.034 170 H THR 25 H THR 25 -12.222 28.689 -1.007 171 HA THR 25 HA THR 25 -12.348 30.817 0.798 172 HB THR 25 HB THR 25 -10.714 30.395 -1.032 173 HG1 THR 25 HG1 THR 25 -10.280 32.601 -1.204 174 HG21 THR 25 HG21 THR 25 -12.569 31.951 -2.840 175 HG22 THR 25 HG22 THR 25 -10.920 31.364 -3.181 176 HG23 THR 25 HG23 THR 25 -12.211 30.206 -2.913 177 H GLN 26 H GLN 26 -14.228 30.215 -2.096 178 HA GLN 26 HA GLN 26 -16.040 32.359 -1.906 179 HB2 GLN 26 HB2 GLN 26 -15.755 29.844 -3.427 180 HB3 GLN 26 HB3 GLN 26 -17.418 30.115 -3.013 181 HG2 GLN 26 HG2 GLN 26 -17.434 32.304 -4.047 182 HG3 GLN 26 HG3 GLN 26 -15.676 32.246 -4.309 183 HE21 GLN 26 HE22 GLN 26 -14.970 30.106 -5.632 184 HE22 GLN 26 HE21 GLN 26 -15.985 29.846 -7.050 185 H VAL 27 H VAL 27 -16.630 29.025 -0.577 186 HA VAL 27 HA VAL 27 -19.067 29.788 0.581 187 HB VAL 27 HB VAL 27 -19.213 27.882 1.723 188 HG11 VAL 27 HG11 VAL 27 -18.483 27.503 -0.814 189 HG12 VAL 27 HG12 VAL 27 -17.047 26.775 -0.059 190 HG13 VAL 27 HG13 VAL 27 -18.640 26.120 0.304 191 HG21 VAL 27 HG21 VAL 27 -16.263 27.512 2.102 192 HG22 VAL 27 HG22 VAL 27 -17.494 27.897 3.333 193 HG23 VAL 27 HG23 VAL 27 -17.527 26.338 2.518 194 H THR 28 H THR 28 -15.762 29.958 1.803 195 HA THR 28 HA THR 28 -16.381 30.740 4.443 196 HB THR 28 HB THR 28 -13.920 31.515 2.914 197 HG1 THR 28 HG1 THR 28 -14.123 29.269 2.844 198 HG21 THR 28 HG21 THR 28 -14.652 31.296 5.810 199 HG22 THR 28 HG22 THR 28 -12.936 31.230 5.255 200 HG23 THR 28 HG23 THR 28 -13.949 32.667 4.902 201 H GLU 29 H GLU 29 -16.003 32.622 1.422 202 HA GLU 29 HA GLU 29 -16.100 35.054 2.876 203 HB2 GLU 29 HB2 GLU 29 -16.367 34.466 -0.036 204 HB3 GLU 29 HB3 GLU 29 -16.515 36.067 0.658 205 HG2 GLU 29 HG2 GLU 29 -14.365 35.913 1.773 206 HG3 GLU 29 HG3 GLU 29 -14.050 34.360 1.064 207 H ALA 30 H ALA 30 -18.601 32.937 1.401 208 HA ALA 30 HA ALA 30 -20.858 34.627 1.917 209 HB1 ALA 30 HB1 ALA 30 -20.959 32.554 0.538 210 HB2 ALA 30 HB2 ALA 30 -20.630 31.582 1.987 211 HB3 ALA 30 HB3 ALA 30 -22.113 32.543 1.902 212 H LEU 31 H LEU 31 -19.075 32.279 3.850 213 HA LEU 31 HA LEU 31 -20.414 32.675 6.302 214 HB2 LEU 31 HB2 LEU 31 -18.924 30.751 5.619 215 HB3 LEU 31 HB3 LEU 31 -17.574 31.856 5.760 216 HG LEU 31 HG LEU 31 -18.376 32.245 8.214 217 HD11 LEU 31 HD11 LEU 31 -19.568 29.517 7.705 218 HD12 LEU 31 HD12 LEU 31 -19.642 30.522 9.187 219 HD13 LEU 31 HD13 LEU 31 -20.569 30.979 7.736 220 HD21 LEU 31 HD21 LEU 31 -17.097 29.718 7.175 221 HD22 LEU 31 HD22 LEU 31 -16.317 31.282 7.523 222 HD23 LEU 31 HD23 LEU 31 -17.022 30.376 8.879 223 H ASP 32 H ASP 32 -17.606 34.471 4.847 224 HA ASP 32 HA ASP 32 -17.015 36.042 7.074 225 HB2 ASP 32 HB2 ASP 32 -15.589 36.126 5.165 226 HB3 ASP 32 HB3 ASP 32 -16.860 36.651 4.088 227 H LYS 33 H LYS 33 -19.730 36.258 4.805 228 HA LYS 33 HA LYS 33 -20.954 38.520 6.034 229 HB2 LYS 33 HB2 LYS 33 -22.531 36.586 4.495 230 HB3 LYS 33 HB3 LYS 33 -22.614 38.354 4.650 231 HG2 LYS 33 HG2 LYS 33 -21.011 36.590 2.868 232 HG3 LYS 33 HG3 LYS 33 -22.071 37.901 2.434 233 HD2 LYS 33 HD2 LYS 33 -20.351 39.485 3.458 234 HD3 LYS 33 HD3 LYS 33 -19.229 38.087 3.516 235 HE2 LYS 33 HE2 LYS 33 -19.487 37.667 1.160 236 HE3 LYS 33 HE3 LYS 33 -20.564 39.070 0.996 237 HZ1 LYS 33 HZ1 LYS 33 -17.742 39.213 1.938 238 HZ2 LYS 33 HZ2 LYS 33 -18.231 39.610 0.425 239 HZ3 LYS 33 HZ3 LYS 33 -18.727 40.494 1.705 240 H LEU 34 H LEU 34 -21.438 34.988 6.285 241 HA LEU 34 HA LEU 34 -23.588 35.181 8.071 242 HB2 LEU 34 HB2 LEU 34 -22.611 33.310 6.537 243 HB3 LEU 34 HB3 LEU 34 -22.065 32.643 8.097 244 HG LEU 34 HG LEU 34 -24.919 33.477 7.385 245 HD11 LEU 34 HD11 LEU 34 -23.666 30.753 7.373 246 HD12 LEU 34 HD12 LEU 34 -25.380 31.156 7.035 247 HD13 LEU 34 HD13 LEU 34 -24.114 31.787 5.985 248 HD21 LEU 34 HD21 LEU 34 -24.252 31.399 9.481 249 HD22 LEU 34 HD22 LEU 34 -24.498 33.093 9.837 250 HD23 LEU 34 HD23 LEU 34 -25.821 32.187 9.056 251 H ALA 35 H ALA 35 -20.188 35.297 8.655 252 HA ALA 35 HA ALA 35 -20.335 35.016 11.532 253 HB1 ALA 35 HB1 ALA 35 -18.423 34.258 10.204 254 HB2 ALA 35 HB2 ALA 35 -18.118 35.923 9.658 255 HB3 ALA 35 HB3 ALA 35 -17.941 35.506 11.383 256 H ALA 36 H ALA 36 -20.792 37.571 9.156 257 HA ALA 36 HA ALA 36 -20.462 39.865 10.905 258 HB1 ALA 36 HB1 ALA 36 -19.836 39.957 8.531 259 HB2 ALA 36 HB2 ALA 36 -21.519 39.706 8.034 260 HB3 ALA 36 HB3 ALA 36 -21.067 41.158 8.933 261 H LYS 37 H LYS 37 -23.296 38.443 9.282 262 HA LYS 37 HA LYS 37 -25.211 39.661 11.280 263 HB2 LYS 37 HB2 LYS 37 -24.836 40.880 8.925 264 HB3 LYS 37 HB3 LYS 37 -25.646 39.476 8.321 265 HG2 LYS 37 HG2 LYS 37 -27.611 40.098 9.860 266 HG3 LYS 37 HG3 LYS 37 -26.738 41.610 10.187 267 HD2 LYS 37 HD2 LYS 37 -26.691 42.108 7.744 268 HD3 LYS 37 HD3 LYS 37 -27.496 40.564 7.414 269 HE2 LYS 37 HE2 LYS 37 -29.361 41.358 8.984 270 HE3 LYS 37 HE3 LYS 37 -28.570 42.939 8.987 271 HZ1 LYS 37 HZ1 LYS 37 -29.702 41.520 6.630 272 HZ2 LYS 37 HZ2 LYS 37 -30.314 42.873 7.310 273 HZ3 LYS 37 HZ3 LYS 37 -28.884 42.947 6.520 274 HA PRO 38 HA PRO 38 -24.816 35.176 9.967 275 HB2 PRO 38 HB2 PRO 38 -26.040 34.283 12.517 276 HB3 PRO 38 HB3 PRO 38 -24.531 33.834 11.688 277 HG2 PRO 38 HG2 PRO 38 -24.969 35.898 13.738 278 HG3 PRO 38 HG3 PRO 38 -23.410 35.286 13.112 279 HD2 PRO 38 HD2 PRO 38 -24.464 37.814 12.603 280 HD3 PRO 38 HD3 PRO 38 -23.272 37.009 11.546 281 H SER 39 H SER 39 -27.978 34.982 11.644 282 HA SER 39 HA SER 39 -28.648 33.248 9.492 283 HB2 SER 39 HB2 SER 39 -30.676 32.786 10.657 284 HB3 SER 39 HB3 SER 39 -29.247 32.613 11.656 285 HG SER 39 HG SER 39 -30.942 33.758 12.763 286 H ASP 40 H ASP 40 -28.462 36.377 9.195 287 HA ASP 40 HA ASP 40 -30.771 37.359 7.901 288 HB2 ASP 40 HB2 ASP 40 -28.858 38.801 8.202 289 HB3 ASP 40 HB3 ASP 40 -27.841 37.767 7.264 290 HA PRO 41 HA PRO 41 -30.780 33.706 5.435 291 HB2 PRO 41 HB2 PRO 41 -33.150 34.003 4.040 292 HB3 PRO 41 HB3 PRO 41 -33.029 33.529 5.773 293 HG2 PRO 41 HG2 PRO 41 -33.489 36.294 4.537 294 HG3 PRO 41 HG3 PRO 41 -34.431 35.527 5.872 295 HD2 PRO 41 HD2 PRO 41 -32.450 37.306 6.359 296 HD3 PRO 41 HD3 PRO 41 -32.707 35.885 7.421 297 H ALA 42 H ALA 42 -30.974 36.881 3.892 298 HA ALA 42 HA ALA 42 -30.640 35.952 1.240 299 HB1 ALA 42 HB1 ALA 42 -31.503 38.137 1.947 300 HB2 ALA 42 HB2 ALA 42 -29.887 38.602 2.520 301 HB3 ALA 42 HB3 ALA 42 -30.156 38.297 0.784 302 H LEU 43 H LEU 43 -28.192 36.917 3.750 303 HA LEU 43 HA LEU 43 -25.984 35.963 2.083 304 HB2 LEU 43 HB2 LEU 43 -24.584 36.738 3.762 305 HB3 LEU 43 HB3 LEU 43 -25.874 37.930 3.620 306 HG LEU 43 HG LEU 43 -26.880 36.594 5.671 307 HD11 LEU 43 HD11 LEU 43 -23.947 36.179 5.982 308 HD12 LEU 43 HD12 LEU 43 -25.250 35.695 7.112 309 HD13 LEU 43 HD13 LEU 43 -24.958 34.827 5.577 310 HD21 LEU 43 HD21 LEU 43 -26.136 38.837 6.060 311 HD22 LEU 43 HD22 LEU 43 -25.345 37.771 7.272 312 HD23 LEU 43 HD23 LEU 43 -24.414 38.345 5.877 313 H LEU 44 H LEU 44 -27.694 34.621 4.979 314 HA LEU 44 HA LEU 44 -25.972 32.305 5.229 315 HB2 LEU 44 HB2 LEU 44 -27.069 32.560 7.142 316 HB3 LEU 44 HB3 LEU 44 -28.410 33.318 6.503 317 HG LEU 44 HG LEU 44 -29.166 31.479 7.617 318 HD11 LEU 44 HD11 LEU 44 -30.145 31.670 5.170 319 HD12 LEU 44 HD12 LEU 44 -29.277 30.130 4.916 320 HD13 LEU 44 HD13 LEU 44 -30.509 30.250 6.170 321 HD21 LEU 44 HD21 LEU 44 -27.227 29.761 6.067 322 HD22 LEU 44 HD22 LEU 44 -27.230 30.200 7.838 323 HD23 LEU 44 HD23 LEU 44 -28.504 29.172 7.172 324 H ALA 45 H ALA 45 -28.921 32.851 3.164 325 HA ALA 45 HA ALA 45 -28.729 30.137 2.479 326 HB1 ALA 45 HB1 ALA 45 -30.255 32.305 0.962 327 HB2 ALA 45 HB2 ALA 45 -30.482 30.552 0.783 328 HB3 ALA 45 HB3 ALA 45 -30.890 31.335 2.318 329 H ALA 46 H ALA 46 -27.205 33.026 1.134 330 HA ALA 46 HA ALA 46 -26.165 31.777 -1.209 331 HB1 ALA 46 HB1 ALA 46 -24.588 33.599 -1.236 332 HB2 ALA 46 HB2 ALA 46 -26.224 34.212 -0.912 333 HB3 ALA 46 HB3 ALA 46 -25.045 34.095 0.421 334 H TYR 47 H TYR 47 -25.055 31.953 2.201 335 HA TYR 47 HA TYR 47 -22.605 30.540 1.922 336 HB2 TYR 47 HB2 TYR 47 -23.424 31.754 3.993 337 HB3 TYR 47 HB3 TYR 47 -24.607 30.590 4.145 338 HD1 TYR 47 HD2 TYR 47 -20.876 30.365 3.770 339 HD2 TYR 47 HD1 TYR 47 -24.460 28.816 5.587 340 HE1 TYR 47 HE2 TYR 47 -19.537 28.610 4.902 341 HE2 TYR 47 HE1 TYR 47 -23.108 27.106 6.784 342 HH TYR 47 HH TYR 47 -19.563 26.822 6.343 343 H GLN 48 H GLN 48 -25.816 29.354 2.839 344 HA GLN 48 HA GLN 48 -24.935 26.739 2.856 345 HB2 GLN 48 HB2 GLN 48 -27.079 26.039 3.421 346 HB3 GLN 48 HB3 GLN 48 -26.833 27.651 4.057 347 HG2 GLN 48 HG2 GLN 48 -28.880 27.909 3.262 348 HG3 GLN 48 HG3 GLN 48 -27.940 28.383 1.852 349 HE21 GLN 48 HE22 GLN 48 -28.893 27.663 -0.044 350 HE22 GLN 48 HE21 GLN 48 -29.653 26.088 -0.206 351 H SER 49 H SER 49 -26.072 28.677 0.247 352 HA SER 49 HA SER 49 -26.273 26.687 -1.772 353 HB2 SER 49 HB2 SER 49 -25.472 29.678 -2.024 354 HB3 SER 49 HB3 SER 49 -25.715 28.612 -3.390 355 HG SER 49 HG SER 49 -27.612 29.424 -1.443 356 H LYS 50 H LYS 50 -23.528 28.799 -0.822 357 HA LYS 50 HA LYS 50 -21.703 27.648 -2.660 358 HB2 LYS 50 HB2 LYS 50 -21.287 29.349 -0.120 359 HB3 LYS 50 HB3 LYS 50 -20.013 28.897 -1.236 360 HG2 LYS 50 HG2 LYS 50 -22.344 30.041 -2.673 361 HG3 LYS 50 HG3 LYS 50 -21.631 31.126 -1.490 362 HD2 LYS 50 HD2 LYS 50 -20.648 31.496 -3.586 363 HD3 LYS 50 HD3 LYS 50 -19.452 30.839 -2.426 364 HE2 LYS 50 HE2 LYS 50 -18.874 29.287 -3.932 365 HE3 LYS 50 HE3 LYS 50 -20.443 28.578 -3.691 366 HZ1 LYS 50 HZ1 LYS 50 -20.125 29.060 -6.050 367 HZ2 LYS 50 HZ2 LYS 50 -21.227 30.154 -5.528 368 HZ3 LYS 50 HZ3 LYS 50 -19.655 30.583 -5.764 369 H LEU 51 H LEU 51 -22.362 26.866 0.665 370 HA LEU 51 HA LEU 51 -20.539 24.794 1.265 371 HB2 LEU 51 HB2 LEU 51 -21.826 25.822 2.911 372 HB3 LEU 51 HB3 LEU 51 -23.276 25.814 1.958 373 HG LEU 51 HG LEU 51 -22.268 23.522 3.623 374 HD11 LEU 51 HD11 LEU 51 -23.455 25.766 4.491 375 HD12 LEU 51 HD12 LEU 51 -24.919 25.006 3.857 376 HD13 LEU 51 HD13 LEU 51 -23.978 24.180 5.105 377 HD21 LEU 51 HD21 LEU 51 -24.719 23.719 1.799 378 HD22 LEU 51 HD22 LEU 51 -23.482 22.439 1.810 379 HD23 LEU 51 HD23 LEU 51 -24.605 22.584 3.154 380 H SER 52 H SER 52 -23.583 24.723 -0.614 381 HA SER 52 HA SER 52 -23.278 21.928 -1.254 382 HB2 SER 52 HB2 SER 52 -25.031 23.969 -2.643 383 HB3 SER 52 HB3 SER 52 -25.106 22.203 -2.723 384 HG SER 52 HG SER 52 -25.682 23.859 -0.473 385 H GLU 53 H GLU 53 -22.621 25.008 -3.007 386 HA GLU 53 HA GLU 53 -21.873 23.935 -5.463 387 HB2 GLU 53 HB2 GLU 53 -20.711 26.297 -4.082 388 HB3 GLU 53 HB3 GLU 53 -20.359 25.740 -5.731 389 HG2 GLU 53 HG2 GLU 53 -22.823 27.102 -4.776 390 HG3 GLU 53 HG3 GLU 53 -21.503 27.600 -5.871 391 H TYR 54 H TYR 54 -20.005 24.289 -2.480 392 HA TYR 54 HA TYR 54 -17.505 23.445 -3.530 393 HB2 TYR 54 HB2 TYR 54 -17.009 24.472 -1.606 394 HB3 TYR 54 HB3 TYR 54 -18.596 24.267 -0.975 395 HD1 TYR 54 HD1 TYR 54 -15.353 22.609 -1.601 396 HD2 TYR 54 HD2 TYR 54 -18.944 22.671 0.778 397 HE1 TYR 54 HE1 TYR 54 -14.396 20.912 -0.149 398 HE2 TYR 54 HE2 TYR 54 -18.022 20.951 2.256 399 HH TYR 54 HH TYR 54 -14.710 19.564 1.748 400 H ASN 55 H ASN 55 -20.187 21.612 -2.063 401 HA ASN 55 HA ASN 55 -18.850 19.123 -2.386 402 HB2 ASN 55 HB2 ASN 55 -21.210 19.960 -1.144 403 HB3 ASN 55 HB3 ASN 55 -21.728 18.918 -2.480 404 HD21 ASN 55 HD22 ASN 55 -19.470 19.031 0.308 405 HD22 ASN 55 HD21 ASN 55 -19.527 17.296 0.588 406 H LEU 56 H LEU 56 -20.820 21.145 -4.579 407 HA LEU 56 HA LEU 56 -21.005 19.272 -6.745 408 HB2 LEU 56 HB2 LEU 56 -21.321 22.206 -6.375 409 HB3 LEU 56 HB3 LEU 56 -21.092 21.677 -7.993 410 HG LEU 56 HG LEU 56 -23.136 20.624 -8.143 411 HD11 LEU 56 HD11 LEU 56 -23.461 20.615 -5.118 412 HD12 LEU 56 HD12 LEU 56 -24.675 20.101 -6.301 413 HD13 LEU 56 HD13 LEU 56 -23.170 19.194 -6.142 414 HD21 LEU 56 HD21 LEU 56 -24.724 22.317 -7.422 415 HD22 LEU 56 HD22 LEU 56 -23.621 22.872 -6.140 416 HD23 LEU 56 HD23 LEU 56 -23.194 23.133 -7.831 417 H TYR 57 H TYR 57 -18.532 21.737 -5.886 418 HA TYR 57 HA TYR 57 -16.786 21.309 -8.031 419 HB2 TYR 57 HB2 TYR 57 -16.174 23.074 -6.761 420 HB3 TYR 57 HB3 TYR 57 -16.386 22.265 -5.237 421 HD1 TYR 57 HD1 TYR 57 -14.069 22.862 -8.031 422 HD2 TYR 57 HD2 TYR 57 -14.811 20.478 -4.519 423 HE1 TYR 57 HE1 TYR 57 -11.839 21.785 -8.286 424 HE2 TYR 57 HE2 TYR 57 -12.667 19.296 -4.844 425 HH TYR 57 HH TYR 57 -10.489 20.108 -7.603 426 H ARG 58 H ARG 58 -17.217 19.521 -5.031 427 HA ARG 58 HA ARG 58 -15.422 17.364 -5.463 428 HB2 ARG 58 HB2 ARG 58 -17.185 18.375 -3.442 429 HB3 ARG 58 HB3 ARG 58 -17.869 16.822 -3.820 430 HG2 ARG 58 HG2 ARG 58 -16.411 16.663 -1.961 431 HG3 ARG 58 HG3 ARG 58 -15.712 15.746 -3.326 432 HD2 ARG 58 HD2 ARG 58 -14.648 18.409 -3.455 433 HD3 ARG 58 HD3 ARG 58 -14.552 17.931 -1.770 434 HE ARG 58 HE ARG 58 -13.078 16.791 -4.060 435 HH11 ARG 58 HH21 ARG 58 -13.946 16.129 -0.712 436 HH12 ARG 58 HH22 ARG 58 -12.751 14.867 -0.593 437 HH21 ARG 58 HH11 ARG 58 -11.672 15.281 -3.843 438 HH22 ARG 58 HH12 ARG 58 -11.436 14.398 -2.340 439 H ASN 59 H ASN 59 -18.880 17.662 -6.173 440 HA ASN 59 HA ASN 59 -19.305 15.066 -7.158 441 HB2 ASN 59 HB2 ASN 59 -21.094 16.804 -6.541 442 HB3 ASN 59 HB3 ASN 59 -20.749 17.572 -8.090 443 HD21 ASN 59 HD22 ASN 59 -22.371 17.059 -9.524 444 HD22 ASN 59 HD21 ASN 59 -23.060 15.451 -9.673 445 H ALA 60 H ALA 60 -18.314 18.042 -8.812 446 HA ALA 60 HA ALA 60 -18.017 17.004 -11.426 447 HB1 ALA 60 HB1 ALA 60 -16.652 19.015 -11.774 448 HB2 ALA 60 HB2 ALA 60 -18.115 19.417 -10.821 449 HB3 ALA 60 HB3 ALA 60 -16.545 19.275 -10.020 450 H GLN 61 H GLN 61 -15.713 17.190 -8.700 451 HA GLN 61 HA GLN 61 -13.745 15.559 -9.964 452 HB2 GLN 61 HB2 GLN 61 -13.369 17.305 -8.387 453 HB3 GLN 61 HB3 GLN 61 -14.025 16.251 -7.084 454 HG2 GLN 61 HG2 GLN 61 -12.091 14.622 -8.280 455 HG3 GLN 61 HG3 GLN 61 -11.382 16.206 -8.537 456 HE21 GLN 61 HE22 GLN 61 -9.962 14.422 -7.090 457 HE22 GLN 61 HE21 GLN 61 -9.939 14.917 -5.410 458 H SER 62 H SER 62 -16.279 14.479 -9.901 459 HA SER 62 HA SER 62 -15.590 11.723 -9.317 460 HB2 SER 62 HB2 SER 62 -17.024 12.422 -7.442 461 HB3 SER 62 HB3 SER 62 -18.314 12.815 -8.601 462 HG SER 62 HG SER 62 -17.173 10.295 -7.953 463 H ASN 63 H ASN 63 -17.707 14.072 -10.930 464 HA ASN 63 HA ASN 63 -18.633 12.500 -13.010 465 HB2 ASN 63 HB2 ASN 63 -19.085 15.007 -12.223 466 HB3 ASN 63 HB3 ASN 63 -17.858 15.420 -13.379 467 HD21 ASN 63 HD22 ASN 63 -18.985 16.341 -15.086 468 HD22 ASN 63 HD21 ASN 63 -20.317 15.533 -15.896 469 H THR 64 H THR 64 -15.813 14.572 -12.970 470 HA THR 64 HA THR 64 -14.691 14.064 -15.461 471 HB THR 64 HB THR 64 -14.097 15.811 -13.974 472 HG1 THR 64 HG1 THR 64 -11.891 15.801 -14.288 473 HG21 THR 64 HG21 THR 64 -12.429 13.992 -12.268 474 HG22 THR 64 HG22 THR 64 -13.006 15.647 -11.966 475 HG23 THR 64 HG23 THR 64 -14.151 14.286 -11.900 476 H VAL 65 H VAL 65 -14.018 12.454 -12.522 477 HA VAL 65 HA VAL 65 -12.239 10.445 -13.194 478 HB VAL 65 HB VAL 65 -14.484 10.077 -11.244 479 HG11 VAL 65 HG11 VAL 65 -11.458 9.847 -10.898 480 HG12 VAL 65 HG12 VAL 65 -12.675 9.315 -9.730 481 HG13 VAL 65 HG13 VAL 65 -12.520 8.460 -11.287 482 HG21 VAL 65 HG21 VAL 65 -13.387 11.517 -9.549 483 HG22 VAL 65 HG22 VAL 65 -12.358 12.179 -10.846 484 HG23 VAL 65 HG23 VAL 65 -14.133 12.390 -10.862 485 H LYS 66 H LYS 66 -15.745 10.514 -13.406 486 HA LYS 66 HA LYS 66 -16.105 7.921 -14.692 487 HB2 LYS 66 HB2 LYS 66 -17.870 10.117 -13.552 488 HB3 LYS 66 HB3 LYS 66 -18.563 8.707 -14.362 489 HG2 LYS 66 HG2 LYS 66 -17.800 7.209 -12.678 490 HG3 LYS 66 HG3 LYS 66 -16.689 8.402 -11.983 491 HD2 LYS 66 HD2 LYS 66 -18.564 9.820 -11.283 492 HD3 LYS 66 HD3 LYS 66 -19.725 8.682 -11.989 493 HE2 LYS 66 HE2 LYS 66 -19.069 6.940 -10.422 494 HE3 LYS 66 HE3 LYS 66 -17.708 7.910 -9.837 495 HZ1 LYS 66 HZ1 LYS 66 -19.633 8.027 -8.337 496 HZ2 LYS 66 HZ2 LYS 66 -19.247 9.502 -8.922 497 HZ3 LYS 66 HZ3 LYS 66 -20.555 8.694 -9.510 498 H VAL 67 H VAL 67 -15.222 10.831 -15.872 499 HA VAL 67 HA VAL 67 -16.552 10.596 -18.457 500 HB VAL 67 HB VAL 67 -15.219 12.735 -16.887 501 HG11 VAL 67 HG11 VAL 67 -15.175 14.274 -18.733 502 HG12 VAL 67 HG12 VAL 67 -13.976 12.986 -18.885 503 HG13 VAL 67 HG13 VAL 67 -15.469 12.891 -19.870 504 HG21 VAL 67 HG21 VAL 67 -17.664 12.778 -18.609 505 HG22 VAL 67 HG22 VAL 67 -17.635 12.127 -16.960 506 HG23 VAL 67 HG23 VAL 67 -17.213 13.844 -17.219 507 H PHE 68 H PHE 68 -13.359 10.492 -16.942 508 HA PHE 68 HA PHE 68 -11.809 9.938 -19.234 509 HB2 PHE 68 HB2 PHE 68 -11.793 8.813 -16.412 510 HB3 PHE 68 HB3 PHE 68 -10.407 8.708 -17.523 511 HD1 PHE 68 HD2 PHE 68 -11.435 11.993 -18.097 512 HD2 PHE 68 HD1 PHE 68 -9.908 9.531 -14.892 513 HE1 PHE 68 HE2 PHE 68 -10.805 14.022 -16.819 514 HE2 PHE 68 HE1 PHE 68 -9.175 11.572 -13.684 515 HZ PHE 68 HZ PHE 68 -9.630 13.818 -14.650 516 H LYS 69 H LYS 69 -13.933 7.951 -17.273 517 HA LYS 69 HA LYS 69 -13.955 5.448 -18.527 518 HB2 LYS 69 HB2 LYS 69 -15.128 5.917 -16.403 519 HB3 LYS 69 HB3 LYS 69 -16.003 7.226 -17.132 520 HG2 LYS 69 HG2 LYS 69 -16.545 4.507 -18.271 521 HG3 LYS 69 HG3 LYS 69 -17.146 4.850 -16.656 522 HD2 LYS 69 HD2 LYS 69 -18.625 6.494 -17.328 523 HD3 LYS 69 HD3 LYS 69 -17.704 6.947 -18.750 524 HE2 LYS 69 HE2 LYS 69 -18.324 4.766 -19.824 525 HE3 LYS 69 HE3 LYS 69 -19.372 4.428 -18.438 526 HZ1 LYS 69 HZ1 LYS 69 -19.650 6.776 -20.278 527 HZ2 LYS 69 HZ2 LYS 69 -20.617 5.459 -20.258 528 HZ3 LYS 69 HZ3 LYS 69 -20.606 6.476 -18.983 529 H ASP 70 H ASP 70 -15.382 8.488 -19.617 530 HA ASP 70 HA ASP 70 -16.962 7.238 -21.661 531 HB2 ASP 70 HB2 ASP 70 -17.367 9.483 -20.200 532 HB3 ASP 70 HB3 ASP 70 -16.730 10.176 -21.693 533 H ILE 71 H ILE 71 -13.870 8.862 -21.497 534 HA ILE 71 HA ILE 71 -13.445 8.875 -24.306 535 HB ILE 71 HB ILE 71 -11.596 8.885 -21.867 536 HG12 ILE 71 HG12 ILE 71 -10.761 11.001 -22.948 537 HG13 ILE 71 HG13 ILE 71 -12.038 10.843 -24.165 538 HG21 ILE 71 HG21 ILE 71 -9.601 9.060 -23.345 539 HG22 ILE 71 HG22 ILE 71 -10.339 7.466 -23.381 540 HG23 ILE 71 HG23 ILE 71 -10.609 8.597 -24.735 541 HD11 ILE 71 HD11 ILE 71 -12.570 12.340 -22.171 542 HD12 ILE 71 HD12 ILE 71 -13.744 11.033 -22.437 543 HD13 ILE 71 HD13 ILE 71 -12.510 10.867 -21.166 544 H ASP 72 H ASP 72 -12.810 6.527 -21.761 545 HA ASP 72 HA ASP 72 -11.939 4.402 -23.391 546 HB2 ASP 72 HB2 ASP 72 -11.481 4.720 -21.071 547 HB3 ASP 72 HB3 ASP 72 -13.167 4.652 -20.662 548 H ALA 73 H ALA 73 -15.269 5.243 -22.358 549 HA ALA 73 HA ALA 73 -16.529 3.103 -23.704 550 HB1 ALA 73 HB1 ALA 73 -18.559 4.430 -23.582 551 HB2 ALA 73 HB2 ALA 73 -17.648 4.619 -22.072 552 HB3 ALA 73 HB3 ALA 73 -17.635 5.913 -23.300 553 H ALA 74 H ALA 74 -15.098 6.121 -25.022 554 HA ALA 74 HA ALA 74 -16.166 5.790 -27.641 555 HB1 ALA 74 HB1 ALA 74 -14.729 7.526 -28.303 556 HB2 ALA 74 HB2 ALA 74 -15.114 7.912 -26.609 557 HB3 ALA 74 HB3 ALA 74 -13.551 7.187 -27.036 558 H ILE 75 H ILE 75 -13.235 4.575 -26.027 559 HA ILE 75 HA ILE 75 -12.098 3.177 -28.206 560 HB ILE 75 HB ILE 75 -11.893 2.407 -25.273 561 HG12 ILE 75 HG12 ILE 75 -9.993 4.131 -26.897 562 HG13 ILE 75 HG13 ILE 75 -11.221 4.766 -25.875 563 HG21 ILE 75 HG21 ILE 75 -11.160 0.577 -26.755 564 HG22 ILE 75 HG22 ILE 75 -10.112 1.703 -27.644 565 HG23 ILE 75 HG23 ILE 75 -9.784 1.300 -25.946 566 HD11 ILE 75 HD11 ILE 75 -8.762 3.161 -25.083 567 HD12 ILE 75 HD12 ILE 75 -9.185 4.816 -24.623 568 HD13 ILE 75 HD13 ILE 75 -10.090 3.447 -23.943 569 H LEU 76 H LEU 76 -14.516 2.234 -25.775 570 HA LEU 76 HA LEU 76 -15.129 -0.449 -26.602 571 HB2 LEU 76 HB2 LEU 76 -16.698 1.725 -25.245 572 HB3 LEU 76 HB3 LEU 76 -17.373 0.191 -25.575 573 HG LEU 76 HG LEU 76 -15.970 0.958 -23.275 574 HD11 LEU 76 HD11 LEU 76 -16.609 -1.758 -24.410 575 HD12 LEU 76 HD12 LEU 76 -16.308 -1.419 -22.671 576 HD13 LEU 76 HD13 LEU 76 -17.702 -0.675 -23.478 577 HD21 LEU 76 HD21 LEU 76 -13.722 0.557 -24.253 578 HD22 LEU 76 HD22 LEU 76 -14.119 -0.589 -22.985 579 HD23 LEU 76 HD23 LEU 76 -14.210 -1.100 -24.681 580 H GLU 77 H GLU 77 -16.780 2.656 -27.560 581 HA GLU 77 HA GLU 77 -18.395 1.556 -29.572 582 HB2 GLU 77 HB2 GLU 77 -17.299 4.321 -29.133 583 HB3 GLU 77 HB3 GLU 77 -18.340 3.945 -30.504 584 HG2 GLU 77 HG2 GLU 77 -19.121 3.371 -27.612 585 HG3 GLU 77 HG3 GLU 77 -19.516 4.842 -28.481 586 H HIS 78 H HIS 78 -14.979 2.483 -29.765 587 HA HIS 78 HA HIS 78 -14.675 2.568 -32.552 588 HB2 HIS 78 HB2 HIS 78 -13.056 3.338 -30.785 589 HB3 HIS 78 HB3 HIS 78 -12.592 1.677 -30.513 590 HD1 HIS 78 HD1 HIS 78 -10.628 0.840 -32.032 591 HD2 HIS 78 HD2 HIS 78 -12.626 4.266 -33.444 592 HE1 HIS 78 HE1 HIS 78 -9.303 1.656 -34.053 593 H HIS 79 H HIS 79 -15.278 -0.297 -30.654 594 HA HIS 79 HA HIS 79 -14.358 -2.059 -32.858 595 HB2 HIS 79 HB2 HIS 79 -14.072 -3.691 -31.402 596 HB3 HIS 79 HB3 HIS 79 -13.997 -2.398 -30.225 597 HD1 HIS 79 HD1 HIS 79 -16.650 -1.985 -29.015 598 HD2 HIS 79 HD2 HIS 79 -15.670 -5.632 -30.872 599 HE1 HIS 79 HE1 HIS 79 -18.315 -3.706 -28.134 600 H HIS 80 H HIS 80 -17.149 -0.361 -32.422 601 HA HIS 80 HA HIS 80 -19.150 -2.380 -32.800 602 HB2 HIS 80 HB2 HIS 80 -19.290 0.035 -31.856 603 HB3 HIS 80 HB3 HIS 80 -19.499 0.533 -33.532 604 HD1 HIS 80 HD1 HIS 80 -21.614 -1.635 -34.486 605 HD2 HIS 80 HD2 HIS 80 -21.582 0.269 -30.741 606 HE1 HIS 80 HE1 HIS 80 -24.007 -1.778 -33.595 607 H HIS 81 H HIS 81 -16.818 -1.771 -35.009 608 HA HIS 81 HA HIS 81 -18.231 -1.645 -37.516 609 HB2 HIS 81 HB2 HIS 81 -16.089 -2.640 -38.393 610 HB3 HIS 81 HB3 HIS 81 -15.929 -1.134 -37.504 611 HD1 HIS 81 HD1 HIS 81 -16.064 -4.567 -35.724 612 HD2 HIS 81 HD2 HIS 81 -13.456 -1.400 -36.649 613 HE1 HIS 81 HE1 HIS 81 -13.899 -5.029 -34.446 614 H HIS 82 H HIS 82 -19.000 -3.261 -38.852 615 HA HIS 82 HA HIS 82 -19.227 -6.044 -37.744 616 HB2 HIS 82 HB2 HIS 82 -21.402 -4.289 -38.947 617 HB3 HIS 82 HB3 HIS 82 -21.589 -5.996 -38.568 618 HD1 HIS 82 HD1 HIS 82 -19.869 -5.229 -35.613 619 HD2 HIS 82 HD2 HIS 82 -23.555 -4.006 -37.224 620 HE1 HIS 82 HE1 HIS 82 -21.333 -4.575 -33.627 621 H HIS 83 H HIS 83 -18.045 -4.381 -40.359 622 HA HIS 83 HA HIS 83 -18.304 -6.698 -42.210 623 HB2 HIS 83 HB2 HIS 83 -18.839 -3.777 -42.898 624 HB3 HIS 83 HB3 HIS 83 -18.534 -5.033 -44.087 625 HD1 HIS 83 HD1 HIS 83 -20.683 -6.811 -41.829 626 HD2 HIS 83 HD2 HIS 83 -21.154 -3.674 -44.583 627 HE1 HIS 83 HE1 HIS 83 -23.153 -6.816 -42.497 Start of MODEL 9 1 H1 MET 1 H1 MET 1 2.417 13.018 13.271 2 H2 MET 1 H2 MET 1 2.285 12.828 14.895 3 H3 MET 1 H3 MET 1 1.949 11.579 13.889 4 HA MET 1 HA MET 1 -0.105 12.489 14.701 5 HB2 MET 1 HB2 MET 1 0.952 15.096 13.509 6 HB3 MET 1 HB3 MET 1 -0.735 14.809 13.932 7 HG2 MET 1 HG2 MET 1 0.199 16.004 15.723 8 HG3 MET 1 HG3 MET 1 -0.064 14.361 16.291 9 HE1 MET 1 HE1 MET 1 1.397 14.933 18.442 10 HE2 MET 1 HE2 MET 1 3.035 15.619 18.368 11 HE3 MET 1 HE3 MET 1 1.645 16.583 17.825 12 H ALA 2 H ALA 2 -1.907 12.127 13.432 13 HA ALA 2 HA ALA 2 -1.866 12.436 10.489 14 HB1 ALA 2 HB1 ALA 2 -0.821 10.121 10.832 15 HB2 ALA 2 HB2 ALA 2 -2.211 9.694 11.879 16 HB3 ALA 2 HB3 ALA 2 -2.480 9.979 10.186 17 H THR 3 H THR 3 -3.653 12.001 9.463 18 HA THR 3 HA THR 3 -6.236 12.298 10.867 19 HB THR 3 HB THR 3 -7.057 12.009 8.531 20 HG1 THR 3 HG1 THR 3 -5.477 12.324 6.867 21 HG21 THR 3 HG21 THR 3 -6.673 14.210 9.585 22 HG22 THR 3 HG22 THR 3 -4.960 14.179 9.062 23 HG23 THR 3 HG23 THR 3 -6.280 14.316 7.851 24 HA PRO 4 HA PRO 4 -6.871 8.166 11.261 25 HB2 PRO 4 HB2 PRO 4 -9.613 8.372 10.095 26 HB3 PRO 4 HB3 PRO 4 -9.083 7.745 11.697 27 HG2 PRO 4 HG2 PRO 4 -10.204 10.264 11.455 28 HG3 PRO 4 HG3 PRO 4 -8.813 9.956 12.561 29 HD2 PRO 4 HD2 PRO 4 -8.726 11.245 9.880 30 HD3 PRO 4 HD3 PRO 4 -7.947 11.607 11.431 31 H TRP 5 H TRP 5 -6.766 9.280 8.123 32 HA TRP 5 HA TRP 5 -6.442 6.583 6.946 33 HB2 TRP 5 HB2 TRP 5 -8.001 8.842 5.682 34 HB3 TRP 5 HB3 TRP 5 -7.831 7.198 5.056 35 HD1 TRP 5 HD1 TRP 5 -9.296 5.294 6.359 36 HE1 TRP 5 HE1 TRP 5 -11.512 5.452 7.652 37 HE3 TRP 5 HE3 TRP 5 -9.411 10.357 7.152 38 HZ2 TRP 5 HZ2 TRP 5 -13.108 7.509 8.908 39 HZ3 TRP 5 HZ3 TRP 5 -11.288 11.387 8.415 40 HH2 TRP 5 HH2 TRP 5 -13.132 9.978 9.298 41 H SER 6 H SER 6 -4.527 8.828 7.709 42 HA SER 6 HA SER 6 -3.584 10.217 5.511 43 HB2 SER 6 HB2 SER 6 -1.469 10.424 6.693 44 HB3 SER 6 HB3 SER 6 -2.820 10.540 7.834 45 HG SER 6 HG SER 6 -1.051 9.114 8.496 46 H GLY 7 H GLY 7 -3.013 6.793 6.064 47 HA2 GLY 7 HA2 GLY 7 -0.903 6.549 4.029 48 HA3 GLY 7 HA3 GLY 7 -1.640 5.253 4.969 49 H TYR 8 H TYR 8 -4.101 7.097 3.546 50 HA TYR 8 HA TYR 8 -4.275 5.502 1.092 51 HB2 TYR 8 HB2 TYR 8 -5.324 4.301 3.112 52 HB3 TYR 8 HB3 TYR 8 -6.448 5.619 3.237 53 HD1 TYR 8 HD2 TYR 8 -5.320 2.835 1.032 54 HD2 TYR 8 HD1 TYR 8 -8.386 5.775 1.801 55 HE1 TYR 8 HE2 TYR 8 -6.825 1.703 -0.607 56 HE2 TYR 8 HE1 TYR 8 -9.882 4.644 0.166 57 HH TYR 8 HH TYR 8 -10.129 2.906 -1.308 58 H LEU 9 H LEU 9 -6.066 7.798 3.097 59 HA LEU 9 HA LEU 9 -7.648 9.014 1.055 60 HB2 LEU 9 HB2 LEU 9 -8.262 8.846 3.359 61 HB3 LEU 9 HB3 LEU 9 -6.821 9.707 3.890 62 HG LEU 9 HG LEU 9 -8.912 10.888 4.186 63 HD11 LEU 9 HD11 LEU 9 -6.739 12.007 4.100 64 HD12 LEU 9 HD12 LEU 9 -7.049 12.473 2.405 65 HD13 LEU 9 HD13 LEU 9 -8.119 13.041 3.685 66 HD21 LEU 9 HD21 LEU 9 -8.989 11.162 1.164 67 HD22 LEU 9 HD22 LEU 9 -10.086 10.188 2.158 68 HD23 LEU 9 HD23 LEU 9 -10.078 11.946 2.340 69 H ASP 10 H ASP 10 -4.444 9.793 2.316 70 HA ASP 10 HA ASP 10 -4.347 12.484 1.440 71 HB2 ASP 10 HB2 ASP 10 -2.931 11.358 3.195 72 HB3 ASP 10 HB3 ASP 10 -2.029 10.560 1.903 73 H ASP 11 H ASP 11 -4.370 9.790 -0.559 74 HA ASP 11 HA ASP 11 -3.316 11.394 -2.853 75 HB2 ASP 11 HB2 ASP 11 -1.917 9.387 -2.246 76 HB3 ASP 11 HB3 ASP 11 -3.326 8.374 -2.580 77 H VAL 12 H VAL 12 -6.055 10.708 -1.455 78 HA VAL 12 HA VAL 12 -7.651 10.482 -3.923 79 HB VAL 12 HB VAL 12 -8.304 9.770 -1.038 80 HG11 VAL 12 HG11 VAL 12 -10.317 10.737 -1.928 81 HG12 VAL 12 HG12 VAL 12 -10.166 9.792 -3.438 82 HG13 VAL 12 HG13 VAL 12 -10.508 8.983 -1.891 83 HG21 VAL 12 HG21 VAL 12 -6.969 8.096 -2.210 84 HG22 VAL 12 HG22 VAL 12 -8.606 7.495 -1.914 85 HG23 VAL 12 HG23 VAL 12 -8.146 8.054 -3.543 86 H SER 13 H SER 13 -7.799 12.016 -0.691 87 HA SER 13 HA SER 13 -9.536 14.121 -1.497 88 HB2 SER 13 HB2 SER 13 -9.218 13.358 0.796 89 HB3 SER 13 HB3 SER 13 -7.569 14.035 0.809 90 HG SER 13 HG SER 13 -9.121 15.484 1.723 91 H ALA 14 H ALA 14 -6.011 13.793 -1.533 92 HA ALA 14 HA ALA 14 -5.376 16.454 -1.944 93 HB1 ALA 14 HB1 ALA 14 -3.227 15.664 -2.797 94 HB2 ALA 14 HB2 ALA 14 -3.739 14.841 -1.317 95 HB3 ALA 14 HB3 ALA 14 -3.878 14.007 -2.895 96 H LYS 15 H LYS 15 -6.675 14.166 -4.319 97 HA LYS 15 HA LYS 15 -6.096 15.585 -6.719 98 HB2 LYS 15 HB2 LYS 15 -8.101 13.484 -5.902 99 HB3 LYS 15 HB3 LYS 15 -8.490 14.450 -7.309 100 HG2 LYS 15 HG2 LYS 15 -7.424 12.556 -8.114 101 HG3 LYS 15 HG3 LYS 15 -6.284 13.893 -8.307 102 HD2 LYS 15 HD2 LYS 15 -5.009 13.119 -6.322 103 HD3 LYS 15 HD3 LYS 15 -6.247 11.884 -6.005 104 HE2 LYS 15 HE2 LYS 15 -5.740 10.893 -8.267 105 HE3 LYS 15 HE3 LYS 15 -4.389 12.024 -8.425 106 HZ1 LYS 15 HZ1 LYS 15 -3.365 10.984 -6.467 107 HZ2 LYS 15 HZ2 LYS 15 -4.671 10.080 -6.190 108 HZ3 LYS 15 HZ3 LYS 15 -3.751 9.799 -7.521 109 H PHE 16 H PHE 16 -8.401 16.262 -4.195 110 HA PHE 16 HA PHE 16 -9.886 18.134 -5.855 111 HB2 PHE 16 HB2 PHE 16 -10.244 17.334 -2.944 112 HB3 PHE 16 HB3 PHE 16 -11.348 18.320 -3.864 113 HD1 PHE 16 HD2 PHE 16 -9.914 14.877 -3.582 114 HD2 PHE 16 HD1 PHE 16 -13.138 17.298 -5.081 115 HE1 PHE 16 HE2 PHE 16 -11.252 12.833 -3.980 116 HE2 PHE 16 HE1 PHE 16 -14.489 15.248 -5.451 117 HZ PHE 16 HZ PHE 16 -13.557 13.020 -4.904 118 H ASP 17 H ASP 17 -7.645 18.064 -3.160 119 HA ASP 17 HA ASP 17 -7.894 19.960 -1.533 120 HB2 ASP 17 HB2 ASP 17 -5.946 18.551 -1.652 121 HB3 ASP 17 HB3 ASP 17 -5.275 19.515 -2.969 122 H THR 18 H THR 18 -6.245 21.107 -4.494 123 HA THR 18 HA THR 18 -6.499 23.813 -3.489 124 HB THR 18 HB THR 18 -4.450 22.834 -4.641 125 HG1 THR 18 HG1 THR 18 -4.492 24.965 -4.118 126 HG21 THR 18 HG21 THR 18 -4.272 23.155 -7.027 127 HG22 THR 18 HG22 THR 18 -5.661 22.089 -6.710 128 HG23 THR 18 HG23 THR 18 -5.925 23.806 -7.110 129 H GLY 19 H GLY 19 -8.188 21.939 -5.924 130 HA2 GLY 19 HA2 GLY 19 -9.530 24.227 -7.201 131 HA3 GLY 19 HA3 GLY 19 -9.915 22.518 -7.415 132 H VAL 20 H VAL 20 -10.296 21.745 -4.732 133 HA VAL 20 HA VAL 20 -12.861 22.630 -4.026 134 HB VAL 20 HB VAL 20 -11.092 20.722 -2.987 135 HG11 VAL 20 HG11 VAL 20 -11.008 20.980 -0.604 136 HG12 VAL 20 HG12 VAL 20 -10.209 22.390 -1.314 137 HG13 VAL 20 HG13 VAL 20 -11.854 22.540 -0.675 138 HG21 VAL 20 HG21 VAL 20 -13.845 21.669 -2.132 139 HG22 VAL 20 HG22 VAL 20 -13.449 20.354 -3.224 140 HG23 VAL 20 HG23 VAL 20 -13.091 20.174 -1.510 141 H ASP 21 H ASP 21 -9.732 23.923 -3.050 142 HA ASP 21 HA ASP 21 -10.854 25.708 -1.212 143 HB2 ASP 21 HB2 ASP 21 -8.662 25.064 -0.856 144 HB3 ASP 21 HB3 ASP 21 -8.195 25.400 -2.500 145 H ASN 22 H ASN 22 -10.524 26.123 -4.702 146 HA ASN 22 HA ASN 22 -11.089 28.937 -4.602 147 HB2 ASN 22 HB2 ASN 22 -11.740 26.782 -6.703 148 HB3 ASN 22 HB3 ASN 22 -11.940 28.508 -6.970 149 HD21 ASN 22 HD22 ASN 22 -10.135 26.433 -8.299 150 HD22 ASN 22 HD21 ASN 22 -8.546 27.182 -8.219 151 H LEU 23 H LEU 23 -13.045 26.060 -4.278 152 HA LEU 23 HA LEU 23 -15.501 27.564 -4.340 153 HB2 LEU 23 HB2 LEU 23 -14.905 24.974 -5.023 154 HB3 LEU 23 HB3 LEU 23 -15.663 24.787 -3.461 155 HG LEU 23 HG LEU 23 -17.287 24.689 -5.235 156 HD11 LEU 23 HD11 LEU 23 -18.889 26.207 -4.547 157 HD12 LEU 23 HD12 LEU 23 -17.888 26.079 -3.122 158 HD13 LEU 23 HD13 LEU 23 -17.728 27.492 -4.165 159 HD21 LEU 23 HD21 LEU 23 -16.624 27.375 -6.319 160 HD22 LEU 23 HD22 LEU 23 -16.576 25.775 -7.116 161 HD23 LEU 23 HD23 LEU 23 -18.144 26.474 -6.603 162 H GLN 24 H GLN 24 -13.498 25.964 -1.917 163 HA GLN 24 HA GLN 24 -14.921 26.494 0.417 164 HB2 GLN 24 HB2 GLN 24 -12.727 25.122 0.021 165 HB3 GLN 24 HB3 GLN 24 -11.926 26.698 0.258 166 HG2 GLN 24 HG2 GLN 24 -11.748 25.649 2.248 167 HG3 GLN 24 HG3 GLN 24 -13.014 26.866 2.480 168 HE21 GLN 24 HE22 GLN 24 -12.226 23.657 3.189 169 HE22 GLN 24 HE21 GLN 24 -13.864 23.066 3.434 170 H THR 25 H THR 25 -12.403 28.543 -1.179 171 HA THR 25 HA THR 25 -12.434 30.685 0.617 172 HB THR 25 HB THR 25 -10.838 30.190 -1.224 173 HG1 THR 25 HG1 THR 25 -10.327 32.373 -1.421 174 HG21 THR 25 HG21 THR 25 -11.037 31.136 -3.383 175 HG22 THR 25 HG22 THR 25 -12.359 30.024 -3.083 176 HG23 THR 25 HG23 THR 25 -12.663 31.780 -3.034 177 H GLN 26 H GLN 26 -14.372 30.126 -2.247 178 HA GLN 26 HA GLN 26 -16.128 32.315 -2.018 179 HB2 GLN 26 HB2 GLN 26 -15.906 29.828 -3.573 180 HB3 GLN 26 HB3 GLN 26 -17.564 30.108 -3.128 181 HG2 GLN 26 HG2 GLN 26 -17.573 32.303 -4.143 182 HG3 GLN 26 HG3 GLN 26 -15.817 32.233 -4.427 183 HE21 GLN 26 HE22 GLN 26 -15.142 30.100 -5.782 184 HE22 GLN 26 HE21 GLN 26 -16.180 29.859 -7.183 185 H VAL 27 H VAL 27 -16.780 28.986 -0.702 186 HA VAL 27 HA VAL 27 -19.182 29.796 0.490 187 HB VAL 27 HB VAL 27 -19.353 27.896 1.636 188 HG11 VAL 27 HG11 VAL 27 -18.870 26.129 0.204 189 HG12 VAL 27 HG12 VAL 27 -18.677 27.509 -0.914 190 HG13 VAL 27 HG13 VAL 27 -17.266 26.724 -0.192 191 HG21 VAL 27 HG21 VAL 27 -16.409 27.454 1.971 192 HG22 VAL 27 HG22 VAL 27 -17.616 27.857 3.218 193 HG23 VAL 27 HG23 VAL 27 -17.691 26.307 2.394 194 H THR 28 H THR 28 -15.857 29.885 1.673 195 HA THR 28 HA THR 28 -16.413 30.669 4.323 196 HB THR 28 HB THR 28 -13.963 31.404 2.753 197 HG1 THR 28 HG1 THR 28 -14.218 29.158 2.716 198 HG21 THR 28 HG21 THR 28 -13.943 32.569 4.744 199 HG22 THR 28 HG22 THR 28 -14.651 31.209 5.664 200 HG23 THR 28 HG23 THR 28 -12.947 31.120 5.083 201 H GLU 29 H GLU 29 -16.056 32.556 1.302 202 HA GLU 29 HA GLU 29 -16.090 34.986 2.764 203 HB2 GLU 29 HB2 GLU 29 -16.428 34.412 -0.141 204 HB3 GLU 29 HB3 GLU 29 -16.531 36.013 0.562 205 HG2 GLU 29 HG2 GLU 29 -14.362 35.812 1.629 206 HG3 GLU 29 HG3 GLU 29 -14.086 34.260 0.899 207 H ALA 30 H ALA 30 -18.651 32.901 1.355 208 HA ALA 30 HA ALA 30 -20.870 34.632 1.915 209 HB1 ALA 30 HB1 ALA 30 -21.023 32.566 0.519 210 HB2 ALA 30 HB2 ALA 30 -20.699 31.584 1.962 211 HB3 ALA 30 HB3 ALA 30 -22.163 32.573 1.895 212 H LEU 31 H LEU 31 -19.092 32.240 3.797 213 HA LEU 31 HA LEU 31 -20.377 32.630 6.276 214 HB2 LEU 31 HB2 LEU 31 -18.926 30.693 5.548 215 HB3 LEU 31 HB3 LEU 31 -17.560 31.781 5.671 216 HG LEU 31 HG LEU 31 -18.302 32.156 8.146 217 HD11 LEU 31 HD11 LEU 31 -19.562 30.436 9.134 218 HD12 LEU 31 HD12 LEU 31 -20.520 30.926 7.713 219 HD13 LEU 31 HD13 LEU 31 -19.542 29.450 7.638 220 HD21 LEU 31 HD21 LEU 31 -16.961 30.259 8.763 221 HD22 LEU 31 HD22 LEU 31 -17.079 29.623 7.054 222 HD23 LEU 31 HD23 LEU 31 -16.271 31.172 7.406 223 H ASP 32 H ASP 32 -17.582 34.403 4.778 224 HA ASP 32 HA ASP 32 -16.912 35.942 7.007 225 HB2 ASP 32 HB2 ASP 32 -15.528 36.015 5.064 226 HB3 ASP 32 HB3 ASP 32 -16.816 36.560 4.020 227 H LYS 33 H LYS 33 -19.677 36.204 4.817 228 HA LYS 33 HA LYS 33 -20.834 38.483 6.081 229 HB2 LYS 33 HB2 LYS 33 -22.468 36.584 4.555 230 HB3 LYS 33 HB3 LYS 33 -22.526 38.352 4.728 231 HG2 LYS 33 HG2 LYS 33 -20.987 36.581 2.900 232 HG3 LYS 33 HG3 LYS 33 -22.029 37.916 2.500 233 HD2 LYS 33 HD2 LYS 33 -20.256 39.454 3.506 234 HD3 LYS 33 HD3 LYS 33 -19.160 38.034 3.519 235 HE2 LYS 33 HE2 LYS 33 -19.479 37.649 1.167 236 HE3 LYS 33 HE3 LYS 33 -20.531 39.076 1.044 237 HZ1 LYS 33 HZ1 LYS 33 -18.199 39.572 0.431 238 HZ2 LYS 33 HZ2 LYS 33 -18.649 40.451 1.731 239 HZ3 LYS 33 HZ3 LYS 33 -17.689 39.147 1.929 240 H LEU 34 H LEU 34 -21.361 34.956 6.305 241 HA LEU 34 HA LEU 34 -23.477 35.153 8.134 242 HB2 LEU 34 HB2 LEU 34 -22.550 33.294 6.557 243 HB3 LEU 34 HB3 LEU 34 -21.979 32.600 8.097 244 HG LEU 34 HG LEU 34 -24.838 33.466 7.443 245 HD11 LEU 34 HD11 LEU 34 -25.323 31.152 7.076 246 HD12 LEU 34 HD12 LEU 34 -24.066 31.781 6.014 247 HD13 LEU 34 HD13 LEU 34 -23.608 30.731 7.384 248 HD21 LEU 34 HD21 LEU 34 -25.725 32.163 9.116 249 HD22 LEU 34 HD22 LEU 34 -24.153 31.362 9.508 250 HD23 LEU 34 HD23 LEU 34 -24.381 33.055 9.883 251 H ALA 35 H ALA 35 -20.063 35.217 8.655 252 HA ALA 35 HA ALA 35 -20.161 34.908 11.529 253 HB1 ALA 35 HB1 ALA 35 -17.971 35.811 9.617 254 HB2 ALA 35 HB2 ALA 35 -17.764 35.387 11.338 255 HB3 ALA 35 HB3 ALA 35 -18.279 34.146 10.164 256 H ALA 36 H ALA 36 -20.644 37.495 9.197 257 HA ALA 36 HA ALA 36 -20.249 39.765 10.966 258 HB1 ALA 36 HB1 ALA 36 -21.369 39.657 8.115 259 HB2 ALA 36 HB2 ALA 36 -20.871 41.089 9.021 260 HB3 ALA 36 HB3 ALA 36 -19.671 39.873 8.576 261 H LYS 37 H LYS 37 -23.130 38.388 9.385 262 HA LYS 37 HA LYS 37 -24.992 39.593 11.439 263 HB2 LYS 37 HB2 LYS 37 -24.659 40.858 9.104 264 HB3 LYS 37 HB3 LYS 37 -25.488 39.470 8.485 265 HG2 LYS 37 HG2 LYS 37 -27.417 40.067 10.083 266 HG3 LYS 37 HG3 LYS 37 -26.529 41.567 10.425 267 HD2 LYS 37 HD2 LYS 37 -26.536 42.123 7.996 268 HD3 LYS 37 HD3 LYS 37 -27.350 40.587 7.647 269 HE2 LYS 37 HE2 LYS 37 -29.181 41.340 9.269 270 HE3 LYS 37 HE3 LYS 37 -28.388 42.920 9.308 271 HZ1 LYS 37 HZ1 LYS 37 -29.562 41.580 6.926 272 HZ2 LYS 37 HZ2 LYS 37 -30.163 42.910 7.661 273 HZ3 LYS 37 HZ3 LYS 37 -28.746 43.010 6.851 274 HA PRO 38 HA PRO 38 -24.672 35.136 10.050 275 HB2 PRO 38 HB2 PRO 38 -25.857 34.214 12.609 276 HB3 PRO 38 HB3 PRO 38 -24.368 33.763 11.746 277 HG2 PRO 38 HG2 PRO 38 -24.737 35.790 13.839 278 HG3 PRO 38 HG3 PRO 38 -23.200 35.183 13.157 279 HD2 PRO 38 HD2 PRO 38 -24.262 37.725 12.728 280 HD3 PRO 38 HD3 PRO 38 -23.087 36.941 11.638 281 H SER 39 H SER 39 -27.814 34.948 11.774 282 HA SER 39 HA SER 39 -28.530 33.250 9.608 283 HB2 SER 39 HB2 SER 39 -30.544 32.789 10.794 284 HB3 SER 39 HB3 SER 39 -29.105 32.593 11.773 285 HG SER 39 HG SER 39 -30.786 33.735 12.910 286 H ASP 40 H ASP 40 -28.318 36.381 9.351 287 HA ASP 40 HA ASP 40 -30.634 37.402 8.101 288 HB2 ASP 40 HB2 ASP 40 -28.707 38.822 8.404 289 HB3 ASP 40 HB3 ASP 40 -27.711 37.796 7.433 290 HA PRO 41 HA PRO 41 -30.713 33.785 5.580 291 HB2 PRO 41 HB2 PRO 41 -33.095 34.126 4.222 292 HB3 PRO 41 HB3 PRO 41 -32.959 33.630 5.946 293 HG2 PRO 41 HG2 PRO 41 -33.402 36.414 4.751 294 HG3 PRO 41 HG3 PRO 41 -34.337 35.641 6.087 295 HD2 PRO 41 HD2 PRO 41 -32.330 37.390 6.576 296 HD3 PRO 41 HD3 PRO 41 -32.590 35.957 7.619 297 H ALA 42 H ALA 42 -30.895 36.985 4.081 298 HA ALA 42 HA ALA 42 -30.611 36.089 1.411 299 HB1 ALA 42 HB1 ALA 42 -29.804 38.709 2.718 300 HB2 ALA 42 HB2 ALA 42 -30.101 38.433 0.982 301 HB3 ALA 42 HB3 ALA 42 -31.434 38.274 2.162 302 H LEU 43 H LEU 43 -28.125 36.982 3.904 303 HA LEU 43 HA LEU 43 -25.943 36.032 2.200 304 HB2 LEU 43 HB2 LEU 43 -24.521 36.778 3.866 305 HB3 LEU 43 HB3 LEU 43 -25.804 37.979 3.756 306 HG LEU 43 HG LEU 43 -26.790 36.639 5.808 307 HD11 LEU 43 HD11 LEU 43 -25.149 35.709 7.217 308 HD12 LEU 43 HD12 LEU 43 -24.897 34.848 5.672 309 HD13 LEU 43 HD13 LEU 43 -23.860 36.184 6.069 310 HD21 LEU 43 HD21 LEU 43 -26.013 38.868 6.211 311 HD22 LEU 43 HD22 LEU 43 -25.221 37.779 7.401 312 HD23 LEU 43 HD23 LEU 43 -24.300 38.356 5.998 313 H LEU 44 H LEU 44 -27.628 34.671 5.103 314 HA LEU 44 HA LEU 44 -25.933 32.334 5.297 315 HB2 LEU 44 HB2 LEU 44 -27.000 32.569 7.226 316 HB3 LEU 44 HB3 LEU 44 -28.338 33.354 6.617 317 HG LEU 44 HG LEU 44 -29.102 31.507 7.715 318 HD11 LEU 44 HD11 LEU 44 -30.111 31.742 5.283 319 HD12 LEU 44 HD12 LEU 44 -29.268 30.194 4.997 320 HD13 LEU 44 HD13 LEU 44 -30.480 30.315 6.270 321 HD21 LEU 44 HD21 LEU 44 -27.179 30.204 7.893 322 HD22 LEU 44 HD22 LEU 44 -28.472 29.198 7.226 323 HD23 LEU 44 HD23 LEU 44 -27.202 29.792 6.115 324 H ALA 45 H ALA 45 -28.899 32.942 3.274 325 HA ALA 45 HA ALA 45 -28.753 30.236 2.553 326 HB1 ALA 45 HB1 ALA 45 -30.499 30.700 0.863 327 HB2 ALA 45 HB2 ALA 45 -30.894 31.469 2.409 328 HB3 ALA 45 HB3 ALA 45 -30.245 32.447 1.063 329 H ALA 46 H ALA 46 -27.229 33.141 1.195 330 HA ALA 46 HA ALA 46 -26.210 31.910 -1.156 331 HB1 ALA 46 HB1 ALA 46 -24.588 33.692 -1.155 332 HB2 ALA 46 HB2 ALA 46 -26.210 34.333 -0.813 333 HB3 ALA 46 HB3 ALA 46 -25.028 34.166 0.512 334 H TYR 47 H TYR 47 -25.063 31.993 2.244 335 HA TYR 47 HA TYR 47 -22.641 30.546 1.916 336 HB2 TYR 47 HB2 TYR 47 -23.411 31.742 4.011 337 HB3 TYR 47 HB3 TYR 47 -24.611 30.596 4.168 338 HD1 TYR 47 HD1 TYR 47 -20.892 30.311 3.730 339 HD2 TYR 47 HD2 TYR 47 -24.471 28.815 5.599 340 HE1 TYR 47 HE1 TYR 47 -19.562 28.535 4.859 341 HE2 TYR 47 HE2 TYR 47 -23.135 27.091 6.784 342 HH TYR 47 HH TYR 47 -21.057 26.177 7.104 343 H GLN 48 H GLN 48 -25.857 29.392 2.854 344 HA GLN 48 HA GLN 48 -25.008 26.764 2.843 345 HB2 GLN 48 HB2 GLN 48 -27.179 26.082 3.394 346 HB3 GLN 48 HB3 GLN 48 -26.885 27.671 4.073 347 HG2 GLN 48 HG2 GLN 48 -28.929 27.997 3.297 348 HG3 GLN 48 HG3 GLN 48 -27.975 28.499 1.908 349 HE21 GLN 48 HE22 GLN 48 -28.765 27.823 -0.063 350 HE22 GLN 48 HE21 GLN 48 -29.641 26.317 -0.284 351 H SER 49 H SER 49 -26.200 28.723 0.249 352 HA SER 49 HA SER 49 -26.426 26.749 -1.771 353 HB2 SER 49 HB2 SER 49 -25.816 29.774 -1.833 354 HB3 SER 49 HB3 SER 49 -25.681 28.829 -3.296 355 HG SER 49 HG SER 49 -27.810 29.709 -2.995 356 H LYS 50 H LYS 50 -23.657 28.837 -0.845 357 HA LYS 50 HA LYS 50 -21.890 27.676 -2.736 358 HB2 LYS 50 HB2 LYS 50 -21.407 29.393 -0.213 359 HB3 LYS 50 HB3 LYS 50 -20.154 28.926 -1.345 360 HG2 LYS 50 HG2 LYS 50 -22.497 30.052 -2.767 361 HG3 LYS 50 HG3 LYS 50 -21.780 31.153 -1.603 362 HD2 LYS 50 HD2 LYS 50 -20.813 31.500 -3.709 363 HD3 LYS 50 HD3 LYS 50 -19.606 30.858 -2.548 364 HE2 LYS 50 HE2 LYS 50 -19.040 29.282 -4.025 365 HE3 LYS 50 HE3 LYS 50 -20.615 28.586 -3.781 366 HZ1 LYS 50 HZ1 LYS 50 -20.277 29.035 -6.147 367 HZ2 LYS 50 HZ2 LYS 50 -21.387 30.130 -5.642 368 HZ3 LYS 50 HZ3 LYS 50 -19.817 30.565 -5.874 369 H LEU 51 H LEU 51 -22.468 26.884 0.607 370 HA LEU 51 HA LEU 51 -20.665 24.767 1.148 371 HB2 LEU 51 HB2 LEU 51 -21.893 25.805 2.836 372 HB3 LEU 51 HB3 LEU 51 -23.364 25.838 1.916 373 HG LEU 51 HG LEU 51 -22.367 23.513 3.539 374 HD11 LEU 51 HD11 LEU 51 -23.515 25.771 4.437 375 HD12 LEU 51 HD12 LEU 51 -24.997 25.026 3.829 376 HD13 LEU 51 HD13 LEU 51 -24.039 24.187 5.055 377 HD21 LEU 51 HD21 LEU 51 -24.847 23.751 1.761 378 HD22 LEU 51 HD22 LEU 51 -23.628 22.455 1.745 379 HD23 LEU 51 HD23 LEU 51 -24.723 22.610 3.110 380 H SER 52 H SER 52 -23.712 24.786 -0.720 381 HA SER 52 HA SER 52 -23.475 21.979 -1.350 382 HB2 SER 52 HB2 SER 52 -25.230 24.053 -2.685 383 HB3 SER 52 HB3 SER 52 -25.331 22.292 -2.787 384 HG SER 52 HG SER 52 -25.819 23.920 -0.497 385 H GLU 53 H GLU 53 -22.825 25.051 -3.115 386 HA GLU 53 HA GLU 53 -22.110 23.960 -5.579 387 HB2 GLU 53 HB2 GLU 53 -20.951 26.338 -4.234 388 HB3 GLU 53 HB3 GLU 53 -20.627 25.771 -5.892 389 HG2 GLU 53 HG2 GLU 53 -23.079 27.125 -4.894 390 HG3 GLU 53 HG3 GLU 53 -21.775 27.632 -6.005 391 H TYR 54 H TYR 54 -20.190 24.356 -2.637 392 HA TYR 54 HA TYR 54 -17.703 23.511 -3.720 393 HB2 TYR 54 HB2 TYR 54 -17.244 24.630 -1.830 394 HB3 TYR 54 HB3 TYR 54 -18.785 24.308 -1.136 395 HD1 TYR 54 HD2 TYR 54 -19.150 22.257 0.192 396 HD2 TYR 54 HD1 TYR 54 -15.289 23.403 -1.335 397 HE1 TYR 54 HE2 TYR 54 -18.107 20.794 1.826 398 HE2 TYR 54 HE1 TYR 54 -14.197 21.918 0.273 399 HH TYR 54 HH TYR 54 -14.491 20.430 2.043 400 H ASN 55 H ASN 55 -20.392 21.685 -2.301 401 HA ASN 55 HA ASN 55 -19.025 19.201 -2.550 402 HB2 ASN 55 HB2 ASN 55 -21.383 20.022 -1.290 403 HB3 ASN 55 HB3 ASN 55 -21.926 19.071 -2.674 404 HD21 ASN 55 HD22 ASN 55 -22.776 17.415 -1.309 405 HD22 ASN 55 HD21 ASN 55 -21.680 16.306 -0.499 406 H LEU 56 H LEU 56 -21.039 21.175 -4.754 407 HA LEU 56 HA LEU 56 -21.250 19.277 -6.902 408 HB2 LEU 56 HB2 LEU 56 -21.556 22.225 -6.537 409 HB3 LEU 56 HB3 LEU 56 -21.393 21.688 -8.153 410 HG LEU 56 HG LEU 56 -23.447 20.639 -8.224 411 HD11 LEU 56 HD11 LEU 56 -23.648 20.614 -5.188 412 HD12 LEU 56 HD12 LEU 56 -24.909 20.103 -6.322 413 HD13 LEU 56 HD13 LEU 56 -23.397 19.198 -6.230 414 HD21 LEU 56 HD21 LEU 56 -23.857 22.868 -6.186 415 HD22 LEU 56 HD22 LEU 56 -23.499 23.145 -7.891 416 HD23 LEU 56 HD23 LEU 56 -25.008 22.318 -7.425 417 H TYR 57 H TYR 57 -18.836 21.828 -6.142 418 HA TYR 57 HA TYR 57 -17.102 21.390 -8.289 419 HB2 TYR 57 HB2 TYR 57 -16.512 23.199 -7.008 420 HB3 TYR 57 HB3 TYR 57 -16.648 22.346 -5.490 421 HD1 TYR 57 HD1 TYR 57 -14.988 20.710 -4.781 422 HD2 TYR 57 HD2 TYR 57 -14.485 22.885 -8.464 423 HE1 TYR 57 HE1 TYR 57 -12.865 19.514 -5.188 424 HE2 TYR 57 HE2 TYR 57 -12.268 21.800 -8.802 425 HH TYR 57 HH TYR 57 -10.807 20.196 -8.060 426 H ARG 58 H ARG 58 -17.435 19.699 -5.213 427 HA ARG 58 HA ARG 58 -15.577 17.612 -5.590 428 HB2 ARG 58 HB2 ARG 58 -17.373 18.561 -3.600 429 HB3 ARG 58 HB3 ARG 58 -18.038 16.998 -3.972 430 HG2 ARG 58 HG2 ARG 58 -16.686 16.694 -2.122 431 HG3 ARG 58 HG3 ARG 58 -15.723 16.045 -3.476 432 HD2 ARG 58 HD2 ARG 58 -14.647 18.388 -3.574 433 HD3 ARG 58 HD3 ARG 58 -15.419 18.719 -2.036 434 HE ARG 58 HE ARG 58 -13.290 16.677 -2.574 435 HH11 ARG 58 HH21 ARG 58 -15.189 18.292 -0.103 436 HH12 ARG 58 HH22 ARG 58 -14.151 17.732 1.173 437 HH21 ARG 58 HH11 ARG 58 -11.980 16.062 -0.905 438 HH22 ARG 58 HH12 ARG 58 -12.365 16.529 0.719 439 H ASN 59 H ASN 59 -19.024 17.762 -6.370 440 HA ASN 59 HA ASN 59 -19.375 15.110 -7.207 441 HB2 ASN 59 HB2 ASN 59 -21.212 16.845 -6.730 442 HB3 ASN 59 HB3 ASN 59 -20.844 17.541 -8.302 443 HD21 ASN 59 HD22 ASN 59 -22.559 17.003 -9.616 444 HD22 ASN 59 HD21 ASN 59 -23.183 15.369 -9.762 445 H ALA 60 H ALA 60 -18.526 18.009 -9.051 446 HA ALA 60 HA ALA 60 -18.128 16.823 -11.602 447 HB1 ALA 60 HB1 ALA 60 -18.512 19.246 -11.147 448 HB2 ALA 60 HB2 ALA 60 -16.988 19.339 -10.264 449 HB3 ALA 60 HB3 ALA 60 -16.964 19.001 -12.014 450 H GLN 61 H GLN 61 -15.832 17.549 -8.957 451 HA GLN 61 HA GLN 61 -13.752 15.997 -10.138 452 HB2 GLN 61 HB2 GLN 61 -13.579 17.986 -8.665 453 HB3 GLN 61 HB3 GLN 61 -13.846 16.877 -7.306 454 HG2 GLN 61 HG2 GLN 61 -11.495 16.766 -7.414 455 HG3 GLN 61 HG3 GLN 61 -11.853 15.495 -8.587 456 HE21 GLN 61 HE22 GLN 61 -9.401 17.288 -8.468 457 HE22 GLN 61 HE21 GLN 61 -9.421 18.088 -10.029 458 H SER 62 H SER 62 -16.345 14.777 -9.514 459 HA SER 62 HA SER 62 -15.279 12.170 -8.825 460 HB2 SER 62 HB2 SER 62 -16.478 13.114 -6.836 461 HB3 SER 62 HB3 SER 62 -17.960 13.150 -7.808 462 HG SER 62 HG SER 62 -17.724 11.239 -6.473 463 H ASN 63 H ASN 63 -16.155 13.915 -11.200 464 HA ASN 63 HA ASN 63 -17.677 11.879 -12.642 465 HB2 ASN 63 HB2 ASN 63 -18.648 14.281 -12.137 466 HB3 ASN 63 HB3 ASN 63 -17.559 14.838 -13.371 467 HD21 ASN 63 HD22 ASN 63 -20.547 13.122 -12.793 468 HD22 ASN 63 HD21 ASN 63 -20.937 12.887 -14.491 469 H THR 64 H THR 64 -15.339 14.489 -13.080 470 HA THR 64 HA THR 64 -13.951 13.733 -15.329 471 HB THR 64 HB THR 64 -13.694 15.743 -14.065 472 HG1 THR 64 HG1 THR 64 -11.494 15.974 -14.294 473 HG21 THR 64 HG21 THR 64 -12.664 16.017 -12.038 474 HG22 THR 64 HG22 THR 64 -13.737 14.630 -11.791 475 HG23 THR 64 HG23 THR 64 -11.977 14.381 -12.010 476 H VAL 65 H VAL 65 -13.377 12.670 -12.121 477 HA VAL 65 HA VAL 65 -11.387 10.785 -12.168 478 HB VAL 65 HB VAL 65 -13.994 10.474 -10.652 479 HG11 VAL 65 HG11 VAL 65 -12.484 9.924 -8.761 480 HG12 VAL 65 HG12 VAL 65 -12.031 8.913 -10.148 481 HG13 VAL 65 HG13 VAL 65 -11.073 10.365 -9.740 482 HG21 VAL 65 HG21 VAL 65 -13.117 12.106 -8.984 483 HG22 VAL 65 HG22 VAL 65 -12.009 12.708 -10.232 484 HG23 VAL 65 HG23 VAL 65 -13.783 12.786 -10.468 485 H LYS 66 H LYS 66 -14.633 10.458 -13.349 486 HA LYS 66 HA LYS 66 -14.417 7.626 -14.054 487 HB2 LYS 66 HB2 LYS 66 -16.621 9.438 -13.103 488 HB3 LYS 66 HB3 LYS 66 -17.042 8.000 -14.035 489 HG2 LYS 66 HG2 LYS 66 -16.529 6.549 -12.341 490 HG3 LYS 66 HG3 LYS 66 -15.090 7.437 -11.861 491 HD2 LYS 66 HD2 LYS 66 -16.653 7.436 -10.037 492 HD3 LYS 66 HD3 LYS 66 -16.425 9.076 -10.647 493 HE2 LYS 66 HE2 LYS 66 -18.574 8.808 -11.965 494 HE3 LYS 66 HE3 LYS 66 -18.797 7.227 -11.201 495 HZ1 LYS 66 HZ1 LYS 66 -18.822 8.381 -9.036 496 HZ2 LYS 66 HZ2 LYS 66 -18.609 9.829 -9.778 497 HZ3 LYS 66 HZ3 LYS 66 -19.994 8.983 -10.006 498 H VAL 67 H VAL 67 -13.821 10.376 -15.428 499 HA VAL 67 HA VAL 67 -14.789 9.699 -18.093 500 HB VAL 67 HB VAL 67 -14.006 12.210 -16.666 501 HG11 VAL 67 HG11 VAL 67 -12.709 12.442 -18.598 502 HG12 VAL 67 HG12 VAL 67 -14.072 11.931 -19.646 503 HG13 VAL 67 HG13 VAL 67 -14.131 13.488 -18.696 504 HG21 VAL 67 HG21 VAL 67 -16.326 11.532 -18.449 505 HG22 VAL 67 HG22 VAL 67 -16.286 11.238 -16.706 506 HG23 VAL 67 HG23 VAL 67 -16.153 12.917 -17.293 507 H PHE 68 H PHE 68 -11.864 10.401 -16.176 508 HA PHE 68 HA PHE 68 -10.009 9.733 -18.239 509 HB2 PHE 68 HB2 PHE 68 -10.015 9.481 -15.207 510 HB3 PHE 68 HB3 PHE 68 -8.583 9.118 -16.193 511 HD1 PHE 68 HD1 PHE 68 -8.041 11.135 -17.995 512 HD2 PHE 68 HD2 PHE 68 -9.988 11.575 -14.172 513 HE1 PHE 68 HE1 PHE 68 -7.436 13.543 -17.958 514 HE2 PHE 68 HE2 PHE 68 -9.441 13.991 -14.168 515 HZ PHE 68 HZ PHE 68 -8.141 14.977 -16.050 516 H LYS 69 H LYS 69 -12.254 7.847 -16.321 517 HA LYS 69 HA LYS 69 -11.433 5.201 -16.953 518 HB2 LYS 69 HB2 LYS 69 -13.046 5.590 -15.233 519 HB3 LYS 69 HB3 LYS 69 -14.017 6.628 -16.255 520 HG2 LYS 69 HG2 LYS 69 -13.792 3.762 -17.091 521 HG3 LYS 69 HG3 LYS 69 -14.741 4.131 -15.650 522 HD2 LYS 69 HD2 LYS 69 -16.241 5.586 -16.818 523 HD3 LYS 69 HD3 LYS 69 -15.232 5.636 -18.259 524 HE2 LYS 69 HE2 LYS 69 -15.526 3.187 -18.569 525 HE3 LYS 69 HE3 LYS 69 -16.588 3.140 -17.155 526 HZ1 LYS 69 HZ1 LYS 69 -17.129 4.679 -19.648 527 HZ2 LYS 69 HZ2 LYS 69 -17.876 3.298 -19.208 528 HZ3 LYS 69 HZ3 LYS 69 -18.105 4.656 -18.336 529 H ASP 70 H ASP 70 -13.227 7.626 -18.816 530 HA ASP 70 HA ASP 70 -13.727 5.907 -21.057 531 HB2 ASP 70 HB2 ASP 70 -15.155 7.900 -20.334 532 HB3 ASP 70 HB3 ASP 70 -13.908 8.889 -21.103 533 H ILE 71 H ILE 71 -11.277 8.305 -20.208 534 HA ILE 71 HA ILE 71 -9.925 8.051 -22.674 535 HB ILE 71 HB ILE 71 -9.665 9.730 -20.542 536 HG12 ILE 71 HG12 ILE 71 -9.052 10.131 -22.909 537 HG13 ILE 71 HG13 ILE 71 -7.922 10.831 -21.751 538 HG21 ILE 71 HG21 ILE 71 -7.228 7.930 -20.238 539 HG22 ILE 71 HG22 ILE 71 -7.210 9.652 -19.835 540 HG23 ILE 71 HG23 ILE 71 -8.279 8.584 -18.991 541 HD11 ILE 71 HD11 ILE 71 -7.523 8.205 -23.223 542 HD12 ILE 71 HD12 ILE 71 -6.699 9.744 -23.581 543 HD13 ILE 71 HD13 ILE 71 -6.404 8.892 -22.045 544 H ASP 72 H ASP 72 -9.526 6.284 -19.646 545 HA ASP 72 HA ASP 72 -7.662 4.390 -20.575 546 HB2 ASP 72 HB2 ASP 72 -8.096 4.787 -18.268 547 HB3 ASP 72 HB3 ASP 72 -9.791 4.406 -18.499 548 H ALA 73 H ALA 73 -11.230 4.352 -20.884 549 HA ALA 73 HA ALA 73 -11.403 1.841 -22.162 550 HB1 ALA 73 HB1 ALA 73 -13.541 2.634 -23.053 551 HB2 ALA 73 HB2 ALA 73 -13.357 3.142 -21.364 552 HB3 ALA 73 HB3 ALA 73 -13.123 4.312 -22.677 553 H ALA 74 H ALA 74 -10.326 4.993 -23.484 554 HA ALA 74 HA ALA 74 -10.052 4.063 -26.169 555 HB1 ALA 74 HB1 ALA 74 -10.216 6.492 -25.383 556 HB2 ALA 74 HB2 ALA 74 -8.514 6.352 -24.909 557 HB3 ALA 74 HB3 ALA 74 -8.969 6.130 -26.600 558 H ILE 75 H ILE 75 -7.892 4.074 -23.343 559 HA ILE 75 HA ILE 75 -5.608 2.977 -24.606 560 HB ILE 75 HB ILE 75 -6.427 2.668 -21.701 561 HG12 ILE 75 HG12 ILE 75 -4.454 4.590 -22.988 562 HG13 ILE 75 HG13 ILE 75 -6.094 5.012 -22.626 563 HG21 ILE 75 HG21 ILE 75 -4.033 2.170 -21.290 564 HG22 ILE 75 HG22 ILE 75 -4.781 0.941 -22.288 565 HG23 ILE 75 HG23 ILE 75 -3.738 2.167 -23.042 566 HD11 ILE 75 HD11 ILE 75 -5.557 4.457 -20.159 567 HD12 ILE 75 HD12 ILE 75 -3.860 4.354 -20.669 568 HD13 ILE 75 HD13 ILE 75 -4.745 5.873 -20.854 569 H LEU 76 H LEU 76 -8.471 1.429 -23.135 570 HA LEU 76 HA LEU 76 -7.859 -1.316 -23.584 571 HB2 LEU 76 HB2 LEU 76 -10.262 0.357 -23.080 572 HB3 LEU 76 HB3 LEU 76 -10.597 -1.120 -23.941 573 HG LEU 76 HG LEU 76 -9.592 -2.433 -22.160 574 HD11 LEU 76 HD11 LEU 76 -7.918 -0.829 -21.264 575 HD12 LEU 76 HD12 LEU 76 -9.242 0.163 -20.619 576 HD13 LEU 76 HD13 LEU 76 -8.969 -1.474 -19.997 577 HD21 LEU 76 HD21 LEU 76 -11.990 -1.879 -22.075 578 HD22 LEU 76 HD22 LEU 76 -11.305 -2.051 -20.452 579 HD23 LEU 76 HD23 LEU 76 -11.623 -0.431 -21.110 580 H GLU 77 H GLU 77 -9.445 1.032 -25.825 581 HA GLU 77 HA GLU 77 -9.493 -0.714 -28.059 582 HB2 GLU 77 HB2 GLU 77 -9.607 2.281 -27.798 583 HB3 GLU 77 HB3 GLU 77 -9.652 1.481 -29.366 584 HG2 GLU 77 HG2 GLU 77 -11.595 0.884 -27.093 585 HG3 GLU 77 HG3 GLU 77 -11.886 1.998 -28.417 586 H HIS 78 H HIS 78 -6.778 0.452 -26.511 587 HA HIS 78 HA HIS 78 -5.011 0.253 -28.902 588 HB2 HIS 78 HB2 HIS 78 -5.261 2.411 -27.303 589 HB3 HIS 78 HB3 HIS 78 -4.153 1.503 -26.299 590 HD1 HIS 78 HD1 HIS 78 -1.979 0.478 -28.108 591 HD2 HIS 78 HD2 HIS 78 -3.984 4.111 -28.776 592 HE1 HIS 78 HE1 HIS 78 -0.420 1.897 -29.570 593 H HIS 79 H HIS 79 -6.127 -1.742 -26.599 594 HA HIS 79 HA HIS 79 -4.011 -2.678 -25.056 595 HB2 HIS 79 HB2 HIS 79 -6.361 -3.147 -24.659 596 HB3 HIS 79 HB3 HIS 79 -6.469 -4.100 -26.139 597 HD1 HIS 79 HD1 HIS 79 -4.908 -4.323 -22.602 598 HD2 HIS 79 HD2 HIS 79 -5.855 -6.658 -25.974 599 HE1 HIS 79 HE1 HIS 79 -4.561 -6.752 -21.909 600 H HIS 80 H HIS 80 -4.497 -3.400 -28.462 601 HA HIS 80 HA HIS 80 -2.114 -5.169 -28.446 602 HB2 HIS 80 HB2 HIS 80 -4.210 -6.559 -28.211 603 HB3 HIS 80 HB3 HIS 80 -4.753 -5.929 -29.765 604 HD1 HIS 80 HD1 HIS 80 -4.097 -7.500 -31.741 605 HD2 HIS 80 HD2 HIS 80 -1.607 -7.822 -28.357 606 HE1 HIS 80 HE1 HIS 80 -2.396 -9.335 -32.268 607 H HIS 81 H HIS 81 -1.055 -5.360 -30.471 608 HA HIS 81 HA HIS 81 -1.120 -2.885 -31.976 609 HB2 HIS 81 HB2 HIS 81 0.941 -3.635 -32.916 610 HB3 HIS 81 HB3 HIS 81 0.954 -4.018 -31.203 611 HD1 HIS 81 HD1 HIS 81 0.800 -5.739 -34.636 612 HD2 HIS 81 HD2 HIS 81 1.129 -6.634 -30.536 613 HE1 HIS 81 HE1 HIS 81 1.420 -8.209 -34.492 614 H HIS 82 H HIS 82 -2.885 -5.697 -32.490 615 HA HIS 82 HA HIS 82 -3.463 -5.010 -35.305 616 HB2 HIS 82 HB2 HIS 82 -1.539 -6.657 -35.276 617 HB3 HIS 82 HB3 HIS 82 -2.592 -7.813 -34.468 618 HD1 HIS 82 HD1 HIS 82 -4.323 -9.108 -36.081 619 HD2 HIS 82 HD2 HIS 82 -2.123 -5.991 -37.864 620 HE1 HIS 82 HE1 HIS 82 -4.764 -9.266 -38.585 621 H HIS 83 H HIS 83 -5.397 -6.053 -36.110 622 HA HIS 83 HA HIS 83 -7.224 -7.388 -34.213 623 HB2 HIS 83 HB2 HIS 83 -7.608 -4.990 -33.821 624 HB3 HIS 83 HB3 HIS 83 -7.841 -4.717 -35.547 625 HD1 HIS 83 HD1 HIS 83 -9.603 -6.482 -32.590 626 HD2 HIS 83 HD2 HIS 83 -10.258 -5.164 -36.530 627 HE1 HIS 83 HE1 HIS 83 -12.111 -6.717 -33.012 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -20.603 0.712 -9.193 2 H2 MET 1 H2 MET 1 -20.962 0.664 -10.788 3 H3 MET 1 H3 MET 1 -19.413 0.493 -10.297 4 HA MET 1 HA MET 1 -19.741 2.666 -11.220 5 HB2 MET 1 HB2 MET 1 -22.105 2.916 -10.820 6 HB3 MET 1 HB3 MET 1 -21.878 2.950 -9.073 7 HG2 MET 1 HG2 MET 1 -22.275 5.179 -10.076 8 HG3 MET 1 HG3 MET 1 -20.766 5.089 -9.181 9 HE1 MET 1 HE1 MET 1 -21.642 7.434 -11.192 10 HE2 MET 1 HE2 MET 1 -20.145 7.432 -10.233 11 HE3 MET 1 HE3 MET 1 -20.085 7.755 -11.981 12 H ALA 2 H ALA 2 -20.161 2.901 -7.633 13 HA ALA 2 HA ALA 2 -17.300 2.985 -7.062 14 HB1 ALA 2 HB1 ALA 2 -17.340 5.407 -6.339 15 HB2 ALA 2 HB2 ALA 2 -17.679 5.332 -8.085 16 HB3 ALA 2 HB3 ALA 2 -18.992 5.570 -6.895 17 H THR 3 H THR 3 -16.756 3.383 -5.019 18 HA THR 3 HA THR 3 -18.797 2.841 -2.951 19 HB THR 3 HB THR 3 -16.827 2.973 -1.489 20 HG1 THR 3 HG1 THR 3 -14.791 2.557 -2.628 21 HG21 THR 3 HG21 THR 3 -17.763 0.849 -2.354 22 HG22 THR 3 HG22 THR 3 -16.768 0.995 -3.833 23 HG23 THR 3 HG23 THR 3 -15.996 0.689 -2.241 24 HA PRO 4 HA PRO 4 -19.635 6.750 -2.204 25 HB2 PRO 4 HB2 PRO 4 -19.195 6.446 0.744 26 HB3 PRO 4 HB3 PRO 4 -20.630 7.083 -0.149 27 HG2 PRO 4 HG2 PRO 4 -20.602 4.496 0.815 28 HG3 PRO 4 HG3 PRO 4 -21.286 4.877 -0.808 29 HD2 PRO 4 HD2 PRO 4 -18.638 3.650 -0.205 30 HD3 PRO 4 HD3 PRO 4 -19.868 3.339 -1.444 31 H TRP 5 H TRP 5 -16.704 6.085 -0.308 32 HA TRP 5 HA TRP 5 -15.386 8.419 -1.555 33 HB2 TRP 5 HB2 TRP 5 -15.645 8.028 1.457 34 HB3 TRP 5 HB3 TRP 5 -14.510 9.147 0.719 35 HD1 TRP 5 HD1 TRP 5 -15.611 11.294 -0.576 36 HE1 TRP 5 HE1 TRP 5 -17.722 12.651 -0.034 37 HE3 TRP 5 HE3 TRP 5 -18.004 7.899 2.425 38 HZ2 TRP 5 HZ2 TRP 5 -20.151 12.299 1.486 39 HZ3 TRP 5 HZ3 TRP 5 -20.227 8.434 3.399 40 HH2 TRP 5 HH2 TRP 5 -21.308 10.624 2.939 41 H SER 6 H SER 6 -14.703 6.113 1.090 42 HA SER 6 HA SER 6 -12.035 6.180 1.035 43 HB2 SER 6 HB2 SER 6 -13.670 3.675 1.547 44 HB3 SER 6 HB3 SER 6 -12.051 4.026 2.197 45 HG SER 6 HG SER 6 -13.703 4.547 3.703 46 H GLY 7 H GLY 7 -13.678 4.427 -1.536 47 HA2 GLY 7 HA2 GLY 7 -11.227 2.938 -2.313 48 HA3 GLY 7 HA3 GLY 7 -12.800 2.859 -3.092 49 H TYR 8 H TYR 8 -12.158 6.087 -2.724 50 HA TYR 8 HA TYR 8 -10.738 6.472 -5.263 51 HB2 TYR 8 HB2 TYR 8 -13.611 6.968 -4.582 52 HB3 TYR 8 HB3 TYR 8 -12.839 8.293 -5.384 53 HD1 TYR 8 HD1 TYR 8 -11.243 7.442 -7.493 54 HD2 TYR 8 HD2 TYR 8 -14.803 5.518 -5.993 55 HE1 TYR 8 HE1 TYR 8 -11.597 6.373 -9.710 56 HE2 TYR 8 HE2 TYR 8 -15.169 4.467 -8.226 57 HH TYR 8 HH TYR 8 -12.898 4.979 -10.958 58 H LEU 9 H LEU 9 -12.058 7.941 -2.348 59 HA LEU 9 HA LEU 9 -11.462 10.555 -2.700 60 HB2 LEU 9 HB2 LEU 9 -12.843 9.531 -0.958 61 HB3 LEU 9 HB3 LEU 9 -11.408 9.037 -0.073 62 HG LEU 9 HG LEU 9 -12.627 10.994 0.800 63 HD11 LEU 9 HD11 LEU 9 -9.800 11.842 0.069 64 HD12 LEU 9 HD12 LEU 9 -10.780 12.372 1.415 65 HD13 LEU 9 HD13 LEU 9 -10.236 10.682 1.335 66 HD21 LEU 9 HD21 LEU 9 -12.529 13.178 -0.259 67 HD22 LEU 9 HD22 LEU 9 -11.731 12.472 -1.683 68 HD23 LEU 9 HD23 LEU 9 -13.381 11.998 -1.265 69 H ASP 10 H ASP 10 -9.151 8.200 -1.363 70 HA ASP 10 HA ASP 10 -7.312 10.032 -0.340 71 HB2 ASP 10 HB2 ASP 10 -7.355 7.563 0.056 72 HB3 ASP 10 HB3 ASP 10 -6.720 7.302 -1.568 73 H ASP 11 H ASP 11 -7.717 9.201 -3.720 74 HA ASP 11 HA ASP 11 -5.403 10.946 -4.474 75 HB2 ASP 11 HB2 ASP 11 -5.533 8.701 -5.562 76 HB3 ASP 11 HB3 ASP 11 -7.133 9.119 -6.179 77 H VAL 12 H VAL 12 -8.889 10.667 -4.850 78 HA VAL 12 HA VAL 12 -9.281 12.832 -6.594 79 HB VAL 12 HB VAL 12 -10.953 11.383 -4.526 80 HG11 VAL 12 HG11 VAL 12 -12.001 13.508 -4.511 81 HG12 VAL 12 HG12 VAL 12 -11.920 13.631 -6.293 82 HG13 VAL 12 HG13 VAL 12 -12.978 12.427 -5.519 83 HG21 VAL 12 HG21 VAL 12 -10.151 10.266 -6.618 84 HG22 VAL 12 HG22 VAL 12 -11.927 10.367 -6.520 85 HG23 VAL 12 HG23 VAL 12 -11.018 11.484 -7.571 86 H SER 13 H SER 13 -9.364 12.735 -3.064 87 HA SER 13 HA SER 13 -9.952 15.473 -2.652 88 HB2 SER 13 HB2 SER 13 -10.354 13.884 -0.929 89 HB3 SER 13 HB3 SER 13 -8.639 13.399 -0.887 90 HG SER 13 HG SER 13 -9.194 14.833 0.831 91 H ALA 14 H ALA 14 -6.873 13.671 -2.614 92 HA ALA 14 HA ALA 14 -5.462 15.940 -1.891 93 HB1 ALA 14 HB1 ALA 14 -3.455 14.729 -2.399 94 HB2 ALA 14 HB2 ALA 14 -4.650 13.780 -1.483 95 HB3 ALA 14 HB3 ALA 14 -4.426 13.472 -3.239 96 H LYS 15 H LYS 15 -6.232 14.616 -5.084 97 HA LYS 15 HA LYS 15 -4.889 16.454 -6.776 98 HB2 LYS 15 HB2 LYS 15 -5.760 14.241 -7.387 99 HB3 LYS 15 HB3 LYS 15 -7.420 14.816 -7.197 100 HG2 LYS 15 HG2 LYS 15 -7.182 16.312 -9.089 101 HG3 LYS 15 HG3 LYS 15 -5.427 16.007 -9.165 102 HD2 LYS 15 HD2 LYS 15 -5.899 13.589 -9.616 103 HD3 LYS 15 HD3 LYS 15 -7.638 13.952 -9.655 104 HE2 LYS 15 HE2 LYS 15 -7.324 15.444 -11.565 105 HE3 LYS 15 HE3 LYS 15 -5.564 15.307 -11.433 106 HZ1 LYS 15 HZ1 LYS 15 -7.380 13.050 -12.103 107 HZ2 LYS 15 HZ2 LYS 15 -6.440 13.843 -13.175 108 HZ3 LYS 15 HZ3 LYS 15 -5.752 12.950 -11.995 109 H PHE 16 H PHE 16 -8.148 16.514 -5.330 110 HA PHE 16 HA PHE 16 -8.859 19.008 -6.495 111 HB2 PHE 16 HB2 PHE 16 -10.821 18.911 -5.441 112 HB3 PHE 16 HB3 PHE 16 -10.413 17.276 -5.903 113 HD1 PHE 16 HD1 PHE 16 -9.400 18.695 -2.516 114 HD2 PHE 16 HD2 PHE 16 -12.201 16.334 -4.793 115 HE1 PHE 16 HE1 PHE 16 -10.515 18.025 -0.446 116 HE2 PHE 16 HE2 PHE 16 -13.266 15.592 -2.688 117 HZ PHE 16 HZ PHE 16 -12.435 16.448 -0.502 118 H ASP 17 H ASP 17 -7.082 18.334 -3.741 119 HA ASP 17 HA ASP 17 -7.512 19.886 -1.828 120 HB2 ASP 17 HB2 ASP 17 -5.510 18.526 -2.000 121 HB3 ASP 17 HB3 ASP 17 -4.726 19.748 -3.006 122 H THR 18 H THR 18 -6.129 21.596 -4.639 123 HA THR 18 HA THR 18 -6.559 24.153 -3.261 124 HB THR 18 HB THR 18 -4.307 23.577 -4.181 125 HG1 THR 18 HG1 THR 18 -5.589 25.958 -5.045 126 HG21 THR 18 HG21 THR 18 -5.030 22.717 -6.403 127 HG22 THR 18 HG22 THR 18 -5.560 24.358 -6.844 128 HG23 THR 18 HG23 THR 18 -3.845 24.032 -6.513 129 H GLY 19 H GLY 19 -7.860 22.315 -5.935 130 HA2 GLY 19 HA2 GLY 19 -9.300 24.528 -7.220 131 HA3 GLY 19 HA3 GLY 19 -9.583 22.797 -7.436 132 H VAL 20 H VAL 20 -10.032 21.971 -4.824 133 HA VAL 20 HA VAL 20 -12.638 22.720 -4.121 134 HB VAL 20 HB VAL 20 -10.817 20.804 -3.250 135 HG11 VAL 20 HG11 VAL 20 -11.387 22.463 -0.795 136 HG12 VAL 20 HG12 VAL 20 -10.600 20.874 -0.892 137 HG13 VAL 20 HG13 VAL 20 -9.801 22.287 -1.593 138 HG21 VAL 20 HG21 VAL 20 -13.239 20.504 -3.408 139 HG22 VAL 20 HG22 VAL 20 -12.740 20.088 -1.770 140 HG23 VAL 20 HG23 VAL 20 -13.519 21.663 -2.112 141 H ASP 21 H ASP 21 -9.574 24.098 -3.079 142 HA ASP 21 HA ASP 21 -10.809 25.781 -1.180 143 HB2 ASP 21 HB2 ASP 21 -8.630 25.166 -0.711 144 HB3 ASP 21 HB3 ASP 21 -8.072 25.567 -2.315 145 H ASN 22 H ASN 22 -10.451 26.225 -4.628 146 HA ASN 22 HA ASN 22 -10.978 29.064 -4.492 147 HB2 ASN 22 HB2 ASN 22 -11.511 26.945 -6.657 148 HB3 ASN 22 HB3 ASN 22 -11.940 28.622 -6.844 149 HD21 ASN 22 HD22 ASN 22 -8.859 26.780 -6.004 150 HD22 ASN 22 HD21 ASN 22 -7.901 27.869 -6.984 151 H LEU 23 H LEU 23 -12.882 26.124 -4.269 152 HA LEU 23 HA LEU 23 -15.352 27.583 -4.285 153 HB2 LEU 23 HB2 LEU 23 -14.738 25.002 -4.956 154 HB3 LEU 23 HB3 LEU 23 -15.505 24.822 -3.394 155 HG LEU 23 HG LEU 23 -17.120 24.730 -5.181 156 HD11 LEU 23 HD11 LEU 23 -17.582 27.528 -4.114 157 HD12 LEU 23 HD12 LEU 23 -18.729 26.229 -4.485 158 HD13 LEU 23 HD13 LEU 23 -17.722 26.123 -3.062 159 HD21 LEU 23 HD21 LEU 23 -16.406 25.819 -7.055 160 HD22 LEU 23 HD22 LEU 23 -17.977 26.512 -6.541 161 HD23 LEU 23 HD23 LEU 23 -16.460 27.419 -6.255 162 H GLN 24 H GLN 24 -13.407 25.944 -1.814 163 HA GLN 24 HA GLN 24 -14.802 26.587 0.509 164 HB2 GLN 24 HB2 GLN 24 -12.693 25.183 0.310 165 HB3 GLN 24 HB3 GLN 24 -11.820 26.744 0.265 166 HG2 GLN 24 HG2 GLN 24 -11.691 25.924 2.439 167 HG3 GLN 24 HG3 GLN 24 -12.680 27.388 2.378 168 HE21 GLN 24 HE22 GLN 24 -14.242 27.279 3.951 169 HE22 GLN 24 HE21 GLN 24 -15.193 25.834 4.276 170 H THR 25 H THR 25 -12.314 28.656 -1.138 171 HA THR 25 HA THR 25 -12.408 30.769 0.689 172 HB THR 25 HB THR 25 -10.760 30.311 -1.108 173 HG1 THR 25 HG1 THR 25 -10.252 32.505 -1.266 174 HG21 THR 25 HG21 THR 25 -12.542 31.919 -2.936 175 HG22 THR 25 HG22 THR 25 -10.896 31.309 -3.254 176 HG23 THR 25 HG23 THR 25 -12.205 30.167 -3.013 177 H GLN 26 H GLN 26 -14.277 30.243 -2.226 178 HA GLN 26 HA GLN 26 -16.080 32.407 -2.011 179 HB2 GLN 26 HB2 GLN 26 -15.808 29.922 -3.585 180 HB3 GLN 26 HB3 GLN 26 -17.452 30.134 -3.097 181 HG2 GLN 26 HG2 GLN 26 -17.054 31.126 -5.288 182 HG3 GLN 26 HG3 GLN 26 -17.551 32.358 -4.126 183 HE21 GLN 26 HE22 GLN 26 -14.318 30.869 -5.080 184 HE22 GLN 26 HE21 GLN 26 -13.594 32.447 -5.348 185 H VAL 27 H VAL 27 -16.683 29.068 -0.699 186 HA VAL 27 HA VAL 27 -19.105 29.838 0.488 187 HB VAL 27 HB VAL 27 -19.267 27.913 1.588 188 HG11 VAL 27 HG11 VAL 27 -17.078 26.828 -0.177 189 HG12 VAL 27 HG12 VAL 27 -18.667 26.161 0.166 190 HG13 VAL 27 HG13 VAL 27 -18.509 27.555 -0.943 191 HG21 VAL 27 HG21 VAL 27 -17.571 27.897 3.224 192 HG22 VAL 27 HG22 VAL 27 -17.589 26.352 2.386 193 HG23 VAL 27 HG23 VAL 27 -16.324 27.534 2.006 194 H THR 28 H THR 28 -15.807 29.963 1.693 195 HA THR 28 HA THR 28 -16.409 30.689 4.353 196 HB THR 28 HB THR 28 -13.943 31.450 2.828 197 HG1 THR 28 HG1 THR 28 -14.179 29.231 2.706 198 HG21 THR 28 HG21 THR 28 -12.954 31.118 5.162 199 HG22 THR 28 HG22 THR 28 -13.949 32.573 4.832 200 HG23 THR 28 HG23 THR 28 -14.667 31.199 5.725 201 H GLU 29 H GLU 29 -16.013 32.609 1.360 202 HA GLU 29 HA GLU 29 -16.086 35.018 2.847 203 HB2 GLU 29 HB2 GLU 29 -16.353 34.478 -0.075 204 HB3 GLU 29 HB3 GLU 29 -16.508 36.064 0.647 205 HG2 GLU 29 HG2 GLU 29 -14.353 35.869 1.789 206 HG3 GLU 29 HG3 GLU 29 -14.036 34.355 0.997 207 H ALA 30 H ALA 30 -18.615 32.936 1.368 208 HA ALA 30 HA ALA 30 -20.856 34.643 1.918 209 HB1 ALA 30 HB1 ALA 30 -22.134 32.580 1.871 210 HB2 ALA 30 HB2 ALA 30 -20.975 32.586 0.510 211 HB3 ALA 30 HB3 ALA 30 -20.665 31.599 1.951 212 H LEU 31 H LEU 31 -19.090 32.245 3.806 213 HA LEU 31 HA LEU 31 -20.408 32.619 6.272 214 HB2 LEU 31 HB2 LEU 31 -18.945 30.691 5.554 215 HB3 LEU 31 HB3 LEU 31 -17.582 31.783 5.693 216 HG LEU 31 HG LEU 31 -18.350 32.145 8.163 217 HD11 LEU 31 HD11 LEU 31 -19.607 30.408 9.134 218 HD12 LEU 31 HD12 LEU 31 -20.559 30.913 7.716 219 HD13 LEU 31 HD13 LEU 31 -19.581 29.439 7.627 220 HD21 LEU 31 HD21 LEU 31 -16.311 31.170 7.435 221 HD22 LEU 31 HD22 LEU 31 -17.008 30.255 8.787 222 HD23 LEU 31 HD23 LEU 31 -17.111 29.619 7.075 223 H ASP 32 H ASP 32 -17.600 34.413 4.817 224 HA ASP 32 HA ASP 32 -16.970 35.943 7.062 225 HB2 ASP 32 HB2 ASP 32 -15.558 36.049 5.150 226 HB3 ASP 32 HB3 ASP 32 -16.834 36.591 4.086 227 H LYS 33 H LYS 33 -19.698 36.226 4.815 228 HA LYS 33 HA LYS 33 -20.893 38.479 6.084 229 HB2 LYS 33 HB2 LYS 33 -22.499 36.578 4.535 230 HB3 LYS 33 HB3 LYS 33 -22.565 38.345 4.712 231 HG2 LYS 33 HG2 LYS 33 -20.995 36.590 2.894 232 HG3 LYS 33 HG3 LYS 33 -22.044 37.918 2.486 233 HD2 LYS 33 HD2 LYS 33 -20.300 39.470 3.512 234 HD3 LYS 33 HD3 LYS 33 -19.193 38.061 3.549 235 HE2 LYS 33 HE2 LYS 33 -19.468 37.670 1.189 236 HE3 LYS 33 HE3 LYS 33 -20.525 39.092 1.047 237 HZ1 LYS 33 HZ1 LYS 33 -18.661 40.475 1.767 238 HZ2 LYS 33 HZ2 LYS 33 -17.698 39.174 1.978 239 HZ3 LYS 33 HZ3 LYS 33 -18.186 39.598 0.474 240 H LEU 34 H LEU 34 -21.398 34.949 6.303 241 HA LEU 34 HA LEU 34 -23.531 35.138 8.112 242 HB2 LEU 34 HB2 LEU 34 -22.581 33.280 6.546 243 HB3 LEU 34 HB3 LEU 34 -22.026 32.590 8.093 244 HG LEU 34 HG LEU 34 -24.881 33.450 7.419 245 HD11 LEU 34 HD11 LEU 34 -25.355 31.135 7.042 246 HD12 LEU 34 HD12 LEU 34 -24.094 31.775 5.991 247 HD13 LEU 34 HD13 LEU 34 -23.639 30.723 7.361 248 HD21 LEU 34 HD21 LEU 34 -25.775 32.145 9.082 249 HD22 LEU 34 HD22 LEU 34 -24.209 31.338 9.478 250 HD23 LEU 34 HD23 LEU 34 -24.436 33.029 9.862 251 H ALA 35 H ALA 35 -20.123 35.211 8.663 252 HA ALA 35 HA ALA 35 -20.245 34.897 11.538 253 HB1 ALA 35 HB1 ALA 35 -17.848 35.357 11.372 254 HB2 ALA 35 HB2 ALA 35 -18.356 34.132 10.179 255 HB3 ALA 35 HB3 ALA 35 -18.034 35.801 9.654 256 H ALA 36 H ALA 36 -20.701 37.482 9.196 257 HA ALA 36 HA ALA 36 -20.338 39.752 10.969 258 HB1 ALA 36 HB1 ALA 36 -19.735 39.869 8.589 259 HB2 ALA 36 HB2 ALA 36 -21.426 39.640 8.108 260 HB3 ALA 36 HB3 ALA 36 -20.950 41.076 9.021 261 H LYS 37 H LYS 37 -23.199 38.372 9.358 262 HA LYS 37 HA LYS 37 -25.083 39.575 11.393 263 HB2 LYS 37 HB2 LYS 37 -24.722 40.827 9.053 264 HB3 LYS 37 HB3 LYS 37 -25.552 39.441 8.435 265 HG2 LYS 37 HG2 LYS 37 -27.496 40.054 10.002 266 HG3 LYS 37 HG3 LYS 37 -26.603 41.551 10.352 267 HD2 LYS 37 HD2 LYS 37 -26.559 42.076 7.906 268 HD3 LYS 37 HD3 LYS 37 -27.414 40.558 7.574 269 HE2 LYS 37 HE2 LYS 37 -29.227 41.403 9.192 270 HE3 LYS 37 HE3 LYS 37 -28.392 42.960 9.170 271 HZ1 LYS 37 HZ1 LYS 37 -29.606 41.563 6.841 272 HZ2 LYS 37 HZ2 LYS 37 -30.174 42.933 7.529 273 HZ3 LYS 37 HZ3 LYS 37 -28.757 42.969 6.712 274 HA PRO 38 HA PRO 38 -24.745 35.111 10.018 275 HB2 PRO 38 HB2 PRO 38 -25.949 34.194 12.570 276 HB3 PRO 38 HB3 PRO 38 -24.453 33.746 11.719 277 HG2 PRO 38 HG2 PRO 38 -24.848 35.780 13.803 278 HG3 PRO 38 HG3 PRO 38 -23.303 35.168 13.144 279 HD2 PRO 38 HD2 PRO 38 -24.353 37.709 12.691 280 HD3 PRO 38 HD3 PRO 38 -23.172 36.917 11.612 281 H SER 39 H SER 39 -27.896 34.929 11.723 282 HA SER 39 HA SER 39 -28.601 33.225 9.558 283 HB2 SER 39 HB2 SER 39 -30.620 32.768 10.730 284 HB3 SER 39 HB3 SER 39 -29.190 32.576 11.722 285 HG SER 39 HG SER 39 -30.883 33.726 12.839 286 H ASP 40 H ASP 40 -28.387 36.357 9.294 287 HA ASP 40 HA ASP 40 -30.697 37.368 8.025 288 HB2 ASP 40 HB2 ASP 40 -28.770 38.790 8.340 289 HB3 ASP 40 HB3 ASP 40 -27.774 37.771 7.367 290 HA PRO 41 HA PRO 41 -30.749 33.739 5.522 291 HB2 PRO 41 HB2 PRO 41 -33.124 34.061 4.148 292 HB3 PRO 41 HB3 PRO 41 -32.993 33.577 5.877 293 HG2 PRO 41 HG2 PRO 41 -33.445 36.353 4.662 294 HG3 PRO 41 HG3 PRO 41 -34.382 35.583 5.998 295 HD2 PRO 41 HD2 PRO 41 -32.385 37.344 6.485 296 HD3 PRO 41 HD3 PRO 41 -32.647 35.919 7.537 297 H ALA 42 H ALA 42 -30.941 36.927 3.996 298 HA ALA 42 HA ALA 42 -30.626 36.001 1.339 299 HB1 ALA 42 HB1 ALA 42 -31.482 38.188 2.047 300 HB2 ALA 42 HB2 ALA 42 -29.866 38.649 2.623 301 HB3 ALA 42 HB3 ALA 42 -30.133 38.350 0.885 302 H LEU 43 H LEU 43 -28.165 36.940 3.844 303 HA LEU 43 HA LEU 43 -25.967 36.002 2.154 304 HB2 LEU 43 HB2 LEU 43 -24.557 36.755 3.831 305 HB3 LEU 43 HB3 LEU 43 -25.843 37.952 3.713 306 HG LEU 43 HG LEU 43 -26.834 36.603 5.758 307 HD11 LEU 43 HD11 LEU 43 -23.902 36.158 6.033 308 HD12 LEU 43 HD12 LEU 43 -25.198 35.675 7.174 309 HD13 LEU 43 HD13 LEU 43 -24.933 34.819 5.629 310 HD21 LEU 43 HD21 LEU 43 -24.353 38.330 5.960 311 HD22 LEU 43 HD22 LEU 43 -26.067 38.833 6.167 312 HD23 LEU 43 HD23 LEU 43 -25.274 37.747 7.359 313 H LEU 44 H LEU 44 -27.671 34.635 5.041 314 HA LEU 44 HA LEU 44 -25.955 32.312 5.257 315 HB2 LEU 44 HB2 LEU 44 -27.033 32.554 7.184 316 HB3 LEU 44 HB3 LEU 44 -28.374 33.325 6.562 317 HG LEU 44 HG LEU 44 -29.135 31.481 7.667 318 HD11 LEU 44 HD11 LEU 44 -30.128 31.693 5.229 319 HD12 LEU 44 HD12 LEU 44 -29.267 30.151 4.958 320 HD13 LEU 44 HD13 LEU 44 -30.490 30.267 6.220 321 HD21 LEU 44 HD21 LEU 44 -27.205 30.192 7.870 322 HD22 LEU 44 HD22 LEU 44 -28.486 29.175 7.202 323 HD23 LEU 44 HD23 LEU 44 -27.210 29.767 6.096 324 H ALA 45 H ALA 45 -28.919 32.873 3.226 325 HA ALA 45 HA ALA 45 -28.736 30.161 2.525 326 HB1 ALA 45 HB1 ALA 45 -30.896 31.358 2.398 327 HB2 ALA 45 HB2 ALA 45 -30.277 32.346 1.046 328 HB3 ALA 45 HB3 ALA 45 -30.505 30.594 0.848 329 H ALA 46 H ALA 46 -27.237 33.063 1.176 330 HA ALA 46 HA ALA 46 -26.214 31.831 -1.180 331 HB1 ALA 46 HB1 ALA 46 -26.255 34.264 -0.856 332 HB2 ALA 46 HB2 ALA 46 -25.067 34.124 0.467 333 HB3 ALA 46 HB3 ALA 46 -24.627 33.640 -1.200 334 H TYR 47 H TYR 47 -25.062 31.984 2.220 335 HA TYR 47 HA TYR 47 -22.621 30.569 1.899 336 HB2 TYR 47 HB2 TYR 47 -23.412 31.761 3.997 337 HB3 TYR 47 HB3 TYR 47 -24.597 30.604 4.145 338 HD1 TYR 47 HD2 TYR 47 -20.880 30.302 3.685 339 HD2 TYR 47 HD1 TYR 47 -24.448 28.856 5.613 340 HE1 TYR 47 HE2 TYR 47 -19.554 28.520 4.787 341 HE2 TYR 47 HE1 TYR 47 -23.106 27.118 6.782 342 HH TYR 47 HH TYR 47 -19.587 26.733 6.234 343 H GLN 48 H GLN 48 -25.818 29.380 2.853 344 HA GLN 48 HA GLN 48 -24.930 26.766 2.861 345 HB2 GLN 48 HB2 GLN 48 -27.062 26.068 3.465 346 HB3 GLN 48 HB3 GLN 48 -26.818 27.686 4.083 347 HG2 GLN 48 HG2 GLN 48 -28.878 27.925 3.309 348 HG3 GLN 48 HG3 GLN 48 -27.961 28.392 1.882 349 HE21 GLN 48 HE22 GLN 48 -28.859 27.585 -0.018 350 HE22 GLN 48 HE21 GLN 48 -29.633 26.012 -0.128 351 H SER 49 H SER 49 -26.113 28.701 0.268 352 HA SER 49 HA SER 49 -26.337 26.716 -1.751 353 HB2 SER 49 HB2 SER 49 -25.557 29.716 -1.996 354 HB3 SER 49 HB3 SER 49 -25.808 28.657 -3.368 355 HG SER 49 HG SER 49 -27.684 29.449 -1.397 356 H LYS 50 H LYS 50 -23.583 28.821 -0.825 357 HA LYS 50 HA LYS 50 -21.776 27.697 -2.701 358 HB2 LYS 50 HB2 LYS 50 -21.351 29.384 -0.158 359 HB3 LYS 50 HB3 LYS 50 -20.082 28.946 -1.291 360 HG2 LYS 50 HG2 LYS 50 -22.439 30.064 -2.701 361 HG3 LYS 50 HG3 LYS 50 -21.761 31.148 -1.499 362 HD2 LYS 50 HD2 LYS 50 -20.764 31.599 -3.562 363 HD3 LYS 50 HD3 LYS 50 -19.556 30.905 -2.440 364 HE2 LYS 50 HE2 LYS 50 -18.971 29.456 -4.036 365 HE3 LYS 50 HE3 LYS 50 -20.501 28.674 -3.765 366 HZ1 LYS 50 HZ1 LYS 50 -21.459 30.124 -5.531 367 HZ2 LYS 50 HZ2 LYS 50 -20.026 30.870 -5.746 368 HZ3 LYS 50 HZ3 LYS 50 -20.184 29.298 -6.139 369 H LEU 51 H LEU 51 -22.370 26.902 0.645 370 HA LEU 51 HA LEU 51 -20.542 24.817 1.206 371 HB2 LEU 51 HB2 LEU 51 -21.810 25.850 2.880 372 HB3 LEU 51 HB3 LEU 51 -23.272 25.843 1.944 373 HG LEU 51 HG LEU 51 -22.246 23.548 3.591 374 HD11 LEU 51 HD11 LEU 51 -23.429 25.786 4.477 375 HD12 LEU 51 HD12 LEU 51 -24.899 25.029 3.852 376 HD13 LEU 51 HD13 LEU 51 -23.947 24.198 5.089 377 HD21 LEU 51 HD21 LEU 51 -23.480 22.464 1.792 378 HD22 LEU 51 HD22 LEU 51 -24.591 22.612 3.145 379 HD23 LEU 51 HD23 LEU 51 -24.715 23.748 1.791 380 H SER 52 H SER 52 -23.599 24.779 -0.649 381 HA SER 52 HA SER 52 -23.307 21.983 -1.296 382 HB2 SER 52 HB2 SER 52 -25.083 24.025 -2.650 383 HB3 SER 52 HB3 SER 52 -25.156 22.261 -2.737 384 HG SER 52 HG SER 52 -25.700 23.903 -0.469 385 H GLU 53 H GLU 53 -22.687 25.069 -3.060 386 HA GLU 53 HA GLU 53 -21.967 24.006 -5.532 387 HB2 GLU 53 HB2 GLU 53 -20.797 26.360 -4.162 388 HB3 GLU 53 HB3 GLU 53 -20.477 25.802 -5.824 389 HG2 GLU 53 HG2 GLU 53 -22.915 27.174 -4.823 390 HG3 GLU 53 HG3 GLU 53 -21.604 27.673 -5.930 391 H TYR 54 H TYR 54 -20.038 24.391 -2.595 392 HA TYR 54 HA TYR 54 -17.555 23.534 -3.680 393 HB2 TYR 54 HB2 TYR 54 -17.112 24.663 -1.786 394 HB3 TYR 54 HB3 TYR 54 -18.648 24.319 -1.098 395 HD1 TYR 54 HD1 TYR 54 -19.002 22.229 0.177 396 HD2 TYR 54 HD2 TYR 54 -15.134 23.479 -1.256 397 HE1 TYR 54 HE1 TYR 54 -17.964 20.871 1.895 398 HE2 TYR 54 HE2 TYR 54 -14.044 22.115 0.454 399 HH TYR 54 HH TYR 54 -14.353 20.778 2.345 400 H ASN 55 H ASN 55 -20.261 21.727 -2.290 401 HA ASN 55 HA ASN 55 -18.877 19.244 -2.518 402 HB2 ASN 55 HB2 ASN 55 -21.159 20.069 -1.178 403 HB3 ASN 55 HB3 ASN 55 -21.779 19.040 -2.465 404 HD21 ASN 55 HD22 ASN 55 -22.225 17.087 -1.430 405 HD22 ASN 55 HD21 ASN 55 -21.050 16.248 -0.429 406 H LEU 56 H LEU 56 -20.904 21.218 -4.695 407 HA LEU 56 HA LEU 56 -21.232 19.304 -6.825 408 HB2 LEU 56 HB2 LEU 56 -21.475 22.253 -6.453 409 HB3 LEU 56 HB3 LEU 56 -21.350 21.722 -8.071 410 HG LEU 56 HG LEU 56 -23.418 20.694 -8.108 411 HD11 LEU 56 HD11 LEU 56 -23.595 20.717 -5.071 412 HD12 LEU 56 HD12 LEU 56 -24.867 20.204 -6.190 413 HD13 LEU 56 HD13 LEU 56 -23.365 19.282 -6.088 414 HD21 LEU 56 HD21 LEU 56 -23.419 23.203 -7.817 415 HD22 LEU 56 HD22 LEU 56 -24.936 22.416 -7.314 416 HD23 LEU 56 HD23 LEU 56 -23.757 22.964 -6.100 417 H TYR 57 H TYR 57 -18.800 21.831 -6.143 418 HA TYR 57 HA TYR 57 -17.078 21.418 -8.296 419 HB2 TYR 57 HB2 TYR 57 -16.611 23.240 -7.003 420 HB3 TYR 57 HB3 TYR 57 -16.669 22.362 -5.489 421 HD1 TYR 57 HD1 TYR 57 -14.950 20.694 -4.921 422 HD2 TYR 57 HD2 TYR 57 -14.548 23.271 -8.353 423 HE1 TYR 57 HE1 TYR 57 -12.826 19.636 -5.431 424 HE2 TYR 57 HE2 TYR 57 -12.256 22.383 -8.746 425 HH TYR 57 HH TYR 57 -10.725 20.833 -8.177 426 H ARG 58 H ARG 58 -17.395 19.697 -5.249 427 HA ARG 58 HA ARG 58 -15.566 17.575 -5.595 428 HB2 ARG 58 HB2 ARG 58 -17.334 18.623 -3.681 429 HB3 ARG 58 HB3 ARG 58 -18.010 17.043 -3.988 430 HG2 ARG 58 HG2 ARG 58 -16.715 16.300 -2.432 431 HG3 ARG 58 HG3 ARG 58 -15.324 16.513 -3.531 432 HD2 ARG 58 HD2 ARG 58 -14.606 17.751 -1.718 433 HD3 ARG 58 HD3 ARG 58 -15.467 19.035 -2.548 434 HE ARG 58 HE ARG 58 -17.479 18.295 -1.065 435 HH11 ARG 58 HH22 ARG 58 -14.207 18.057 0.169 436 HH12 ARG 58 HH21 ARG 58 -14.776 17.909 1.810 437 HH21 ARG 58 HH11 ARG 58 -18.105 18.050 0.927 438 HH22 ARG 58 HH12 ARG 58 -16.952 17.937 2.247 439 H ASN 59 H ASN 59 -19.035 17.778 -6.333 440 HA ASN 59 HA ASN 59 -19.449 15.129 -7.167 441 HB2 ASN 59 HB2 ASN 59 -21.242 16.886 -6.634 442 HB3 ASN 59 HB3 ASN 59 -20.908 17.582 -8.218 443 HD21 ASN 59 HD22 ASN 59 -22.802 17.115 -9.329 444 HD22 ASN 59 HD21 ASN 59 -23.399 15.476 -9.529 445 H ALA 60 H ALA 60 -18.560 18.017 -9.007 446 HA ALA 60 HA ALA 60 -18.196 16.853 -11.567 447 HB1 ALA 60 HB1 ALA 60 -16.943 19.285 -10.187 448 HB2 ALA 60 HB2 ALA 60 -16.917 18.966 -11.940 449 HB3 ALA 60 HB3 ALA 60 -18.458 19.277 -11.077 450 H GLN 61 H GLN 61 -15.908 17.364 -8.845 451 HA GLN 61 HA GLN 61 -13.928 15.674 -10.014 452 HB2 GLN 61 HB2 GLN 61 -13.537 17.603 -8.555 453 HB3 GLN 61 HB3 GLN 61 -14.002 16.547 -7.189 454 HG2 GLN 61 HG2 GLN 61 -11.732 16.050 -7.176 455 HG3 GLN 61 HG3 GLN 61 -12.167 14.926 -8.455 456 HE21 GLN 61 HE22 GLN 61 -11.157 18.444 -8.157 457 HE22 GLN 61 HE21 GLN 61 -10.141 18.319 -9.582 458 H SER 62 H SER 62 -16.523 14.595 -9.616 459 HA SER 62 HA SER 62 -15.711 11.888 -8.913 460 HB2 SER 62 HB2 SER 62 -16.973 12.843 -6.986 461 HB3 SER 62 HB3 SER 62 -18.371 13.056 -8.056 462 HG SER 62 HG SER 62 -18.314 10.760 -8.396 463 H ASN 63 H ASN 63 -16.408 13.828 -11.267 464 HA ASN 63 HA ASN 63 -17.870 11.905 -12.904 465 HB2 ASN 63 HB2 ASN 63 -18.812 14.301 -12.237 466 HB3 ASN 63 HB3 ASN 63 -17.698 14.908 -13.420 467 HD21 ASN 63 HD22 ASN 63 -20.688 13.112 -12.989 468 HD22 ASN 63 HD21 ASN 63 -21.078 13.039 -14.701 469 H THR 64 H THR 64 -15.473 14.488 -13.038 470 HA THR 64 HA THR 64 -14.050 13.830 -15.317 471 HB THR 64 HB THR 64 -13.826 15.791 -13.968 472 HG1 THR 64 HG1 THR 64 -11.619 16.042 -14.154 473 HG21 THR 64 HG21 THR 64 -12.827 15.953 -11.887 474 HG22 THR 64 HG22 THR 64 -13.892 14.537 -11.759 475 HG23 THR 64 HG23 THR 64 -12.133 14.316 -11.962 476 H VAL 65 H VAL 65 -13.732 12.569 -12.148 477 HA VAL 65 HA VAL 65 -11.726 10.687 -12.158 478 HB VAL 65 HB VAL 65 -14.479 10.315 -10.913 479 HG11 VAL 65 HG11 VAL 65 -11.653 9.870 -9.840 480 HG12 VAL 65 HG12 VAL 65 -13.166 9.456 -9.005 481 HG13 VAL 65 HG13 VAL 65 -12.700 8.570 -10.470 482 HG21 VAL 65 HG21 VAL 65 -12.388 12.363 -10.183 483 HG22 VAL 65 HG22 VAL 65 -14.134 12.564 -10.506 484 HG23 VAL 65 HG23 VAL 65 -13.592 11.741 -9.035 485 H LYS 66 H LYS 66 -14.908 10.456 -13.572 486 HA LYS 66 HA LYS 66 -14.618 7.720 -14.556 487 HB2 LYS 66 HB2 LYS 66 -16.837 9.562 -13.743 488 HB3 LYS 66 HB3 LYS 66 -17.177 8.495 -15.102 489 HG2 LYS 66 HG2 LYS 66 -17.951 7.462 -13.095 490 HG3 LYS 66 HG3 LYS 66 -16.597 6.524 -13.731 491 HD2 LYS 66 HD2 LYS 66 -15.109 7.419 -11.990 492 HD3 LYS 66 HD3 LYS 66 -16.357 8.566 -11.478 493 HE2 LYS 66 HE2 LYS 66 -16.351 6.779 -9.887 494 HE3 LYS 66 HE3 LYS 66 -17.834 6.661 -10.837 495 HZ1 LYS 66 HZ1 LYS 66 -16.683 4.910 -12.175 496 HZ2 LYS 66 HZ2 LYS 66 -15.398 4.984 -11.149 497 HZ3 LYS 66 HZ3 LYS 66 -16.852 4.481 -10.610 498 H VAL 67 H VAL 67 -13.678 10.594 -15.620 499 HA VAL 67 HA VAL 67 -14.106 10.068 -18.466 500 HB VAL 67 HB VAL 67 -13.637 12.525 -16.805 501 HG11 VAL 67 HG11 VAL 67 -12.054 12.849 -18.469 502 HG12 VAL 67 HG12 VAL 67 -13.200 12.361 -19.759 503 HG13 VAL 67 HG13 VAL 67 -13.451 13.880 -18.781 504 HG21 VAL 67 HG21 VAL 67 -15.651 13.278 -17.860 505 HG22 VAL 67 HG22 VAL 67 -15.666 11.805 -18.904 506 HG23 VAL 67 HG23 VAL 67 -15.880 11.666 -17.147 507 H PHE 68 H PHE 68 -11.599 10.717 -16.005 508 HA PHE 68 HA PHE 68 -9.379 10.348 -17.701 509 HB2 PHE 68 HB2 PHE 68 -9.944 9.740 -14.796 510 HB3 PHE 68 HB3 PHE 68 -8.336 9.483 -15.498 511 HD1 PHE 68 HD2 PHE 68 -7.572 11.689 -17.028 512 HD2 PHE 68 HD1 PHE 68 -10.114 11.713 -13.544 513 HE1 PHE 68 HE2 PHE 68 -7.090 14.100 -16.688 514 HE2 PHE 68 HE1 PHE 68 -9.656 14.128 -13.225 515 HZ PHE 68 HZ PHE 68 -8.150 15.331 -14.802 516 H LYS 69 H LYS 69 -11.702 8.147 -16.383 517 HA LYS 69 HA LYS 69 -10.834 5.590 -17.091 518 HB2 LYS 69 HB2 LYS 69 -12.787 5.987 -15.733 519 HB3 LYS 69 HB3 LYS 69 -13.495 7.034 -16.929 520 HG2 LYS 69 HG2 LYS 69 -13.078 4.185 -17.750 521 HG3 LYS 69 HG3 LYS 69 -14.328 4.526 -16.553 522 HD2 LYS 69 HD2 LYS 69 -15.584 5.922 -18.004 523 HD3 LYS 69 HD3 LYS 69 -14.245 6.183 -19.097 524 HE2 LYS 69 HE2 LYS 69 -15.730 4.695 -20.206 525 HE3 LYS 69 HE3 LYS 69 -14.280 3.787 -19.762 526 HZ1 LYS 69 HZ1 LYS 69 -16.329 2.554 -19.264 527 HZ2 LYS 69 HZ2 LYS 69 -15.523 2.854 -17.880 528 HZ3 LYS 69 HZ3 LYS 69 -16.853 3.729 -18.262 529 H ASP 70 H ASP 70 -12.006 8.174 -19.223 530 HA ASP 70 HA ASP 70 -12.213 6.509 -21.550 531 HB2 ASP 70 HB2 ASP 70 -13.658 8.494 -21.146 532 HB3 ASP 70 HB3 ASP 70 -12.228 9.492 -21.419 533 H ILE 71 H ILE 71 -9.751 8.620 -20.190 534 HA ILE 71 HA ILE 71 -7.977 8.373 -22.413 535 HB ILE 71 HB ILE 71 -7.620 9.136 -19.473 536 HG12 ILE 71 HG12 ILE 71 -6.801 11.278 -20.387 537 HG13 ILE 71 HG13 ILE 71 -7.126 10.710 -22.032 538 HG21 ILE 71 HG21 ILE 71 -5.333 8.767 -21.435 539 HG22 ILE 71 HG22 ILE 71 -5.222 9.640 -19.889 540 HG23 ILE 71 HG23 ILE 71 -5.594 7.920 -19.885 541 HD11 ILE 71 HD11 ILE 71 -8.915 12.186 -20.900 542 HD12 ILE 71 HD12 ILE 71 -9.491 10.671 -21.624 543 HD13 ILE 71 HD13 ILE 71 -9.254 10.771 -19.865 544 H ASP 72 H ASP 72 -8.393 6.642 -19.370 545 HA ASP 72 HA ASP 72 -6.496 4.626 -19.837 546 HB2 ASP 72 HB2 ASP 72 -7.354 5.301 -17.725 547 HB3 ASP 72 HB3 ASP 72 -8.987 4.872 -18.191 548 H ALA 73 H ALA 73 -9.918 4.770 -20.824 549 HA ALA 73 HA ALA 73 -10.038 2.229 -22.041 550 HB1 ALA 73 HB1 ALA 73 -11.411 4.836 -22.876 551 HB2 ALA 73 HB2 ALA 73 -11.886 3.203 -23.376 552 HB3 ALA 73 HB3 ALA 73 -12.008 3.679 -21.673 553 H ALA 74 H ALA 74 -8.562 5.285 -23.243 554 HA ALA 74 HA ALA 74 -7.837 4.233 -25.791 555 HB1 ALA 74 HB1 ALA 74 -8.017 6.703 -25.099 556 HB2 ALA 74 HB2 ALA 74 -6.439 6.500 -24.326 557 HB3 ALA 74 HB3 ALA 74 -6.594 6.246 -26.066 558 H ILE 75 H ILE 75 -6.211 4.264 -22.618 559 HA ILE 75 HA ILE 75 -3.806 3.012 -23.427 560 HB ILE 75 HB ILE 75 -5.154 2.801 -20.715 561 HG12 ILE 75 HG12 ILE 75 -2.885 4.609 -21.625 562 HG13 ILE 75 HG13 ILE 75 -4.538 5.110 -21.586 563 HG21 ILE 75 HG21 ILE 75 -2.901 2.196 -19.870 564 HG22 ILE 75 HG22 ILE 75 -3.510 0.989 -20.985 565 HG23 ILE 75 HG23 ILE 75 -2.291 2.158 -21.538 566 HD11 ILE 75 HD11 ILE 75 -3.503 5.938 -19.596 567 HD12 ILE 75 HD12 ILE 75 -4.504 4.576 -19.055 568 HD13 ILE 75 HD13 ILE 75 -2.752 4.379 -19.234 569 H LEU 76 H LEU 76 -6.972 1.661 -22.469 570 HA LEU 76 HA LEU 76 -6.434 -1.121 -22.798 571 HB2 LEU 76 HB2 LEU 76 -8.790 0.676 -22.669 572 HB3 LEU 76 HB3 LEU 76 -9.064 -0.773 -23.607 573 HG LEU 76 HG LEU 76 -8.500 -2.160 -21.721 574 HD11 LEU 76 HD11 LEU 76 -6.823 -0.756 -20.544 575 HD12 LEU 76 HD12 LEU 76 -8.115 0.375 -20.087 576 HD13 LEU 76 HD13 LEU 76 -8.118 -1.285 -19.464 577 HD21 LEU 76 HD21 LEU 76 -10.404 -1.623 -20.280 578 HD22 LEU 76 HD22 LEU 76 -10.450 0.030 -20.931 579 HD23 LEU 76 HD23 LEU 76 -10.812 -1.357 -21.983 580 H GLU 77 H GLU 77 -7.585 1.257 -25.303 581 HA GLU 77 HA GLU 77 -7.423 -0.532 -27.474 582 HB2 GLU 77 HB2 GLU 77 -6.990 2.475 -27.434 583 HB3 GLU 77 HB3 GLU 77 -7.063 1.495 -28.896 584 HG2 GLU 77 HG2 GLU 77 -9.342 0.702 -28.212 585 HG3 GLU 77 HG3 GLU 77 -9.302 1.831 -26.866 586 H HIS 78 H HIS 78 -4.812 1.435 -26.002 587 HA HIS 78 HA HIS 78 -2.735 0.698 -27.818 588 HB2 HIS 78 HB2 HIS 78 -2.736 2.521 -25.966 589 HB3 HIS 78 HB3 HIS 78 -2.358 1.230 -24.850 590 HD1 HIS 78 HD1 HIS 78 -0.239 -0.278 -26.944 591 HD2 HIS 78 HD2 HIS 78 -0.352 3.690 -25.535 592 HE1 HIS 78 HE1 HIS 78 2.154 0.599 -27.082 593 H HIS 79 H HIS 79 -3.864 -0.882 -24.804 594 HA HIS 79 HA HIS 79 -1.799 -2.656 -24.395 595 HB2 HIS 79 HB2 HIS 79 -3.619 -2.185 -22.812 596 HB3 HIS 79 HB3 HIS 79 -4.753 -3.085 -23.820 597 HD1 HIS 79 HD1 HIS 79 -5.115 -5.493 -22.936 598 HD2 HIS 79 HD2 HIS 79 -1.317 -3.891 -22.080 599 HE1 HIS 79 HE1 HIS 79 -3.876 -7.270 -21.587 600 H HIS 80 H HIS 80 -4.564 -3.237 -26.578 601 HA HIS 80 HA HIS 80 -4.180 -5.957 -27.150 602 HB2 HIS 80 HB2 HIS 80 -5.239 -3.690 -28.873 603 HB3 HIS 80 HB3 HIS 80 -5.327 -5.388 -29.331 604 HD1 HIS 80 HD1 HIS 80 -6.768 -7.011 -27.561 605 HD2 HIS 80 HD2 HIS 80 -7.260 -2.836 -27.389 606 HE1 HIS 80 HE1 HIS 80 -8.940 -6.599 -26.280 607 H HIS 81 H HIS 81 -1.984 -3.424 -28.097 608 HA HIS 81 HA HIS 81 -0.821 -4.542 -30.399 609 HB2 HIS 81 HB2 HIS 81 1.014 -3.155 -29.987 610 HB3 HIS 81 HB3 HIS 81 -0.381 -2.285 -29.379 611 HD1 HIS 81 HD1 HIS 81 -0.314 -3.813 -26.389 612 HD2 HIS 81 HD2 HIS 81 2.787 -1.910 -28.508 613 HE1 HIS 81 HE1 HIS 81 1.418 -3.128 -24.657 614 H HIS 82 H HIS 82 -0.748 -5.970 -27.231 615 HA HIS 82 HA HIS 82 1.767 -7.389 -27.574 616 HB2 HIS 82 HB2 HIS 82 1.322 -8.371 -25.491 617 HB3 HIS 82 HB3 HIS 82 0.733 -6.722 -25.363 618 HD1 HIS 82 HD1 HIS 82 -1.947 -6.461 -25.024 619 HD2 HIS 82 HD2 HIS 82 -0.487 -10.386 -25.447 620 HE1 HIS 82 HE1 HIS 82 -3.860 -8.014 -24.358 621 H HIS 83 H HIS 83 -1.389 -7.955 -28.839 622 HA HIS 83 HA HIS 83 -1.574 -10.795 -28.785 623 HB2 HIS 83 HB2 HIS 83 -2.701 -8.766 -30.750 624 HB3 HIS 83 HB3 HIS 83 -3.168 -10.460 -30.674 625 HD1 HIS 83 HD1 HIS 83 -3.116 -9.964 -27.183 626 HD2 HIS 83 HD2 HIS 83 -5.439 -8.405 -30.323 627 HE1 HIS 83 HE1 HIS 83 -5.331 -9.271 -26.149 Start of MODEL 11 1 H1 MET 1 H1 MET 1 2.978 0.670 0.535 2 H2 MET 1 H2 MET 1 2.580 1.988 1.420 3 H3 MET 1 H3 MET 1 1.921 0.541 1.785 4 HA MET 1 HA MET 1 1.459 2.104 -0.662 5 HB2 MET 1 HB2 MET 1 -0.138 0.449 -1.383 6 HB3 MET 1 HB3 MET 1 1.435 -0.305 -1.161 7 HG2 MET 1 HG2 MET 1 0.673 -1.245 1.015 8 HG3 MET 1 HG3 MET 1 -0.905 -0.478 0.789 9 HE1 MET 1 HE1 MET 1 -1.713 -4.282 0.381 10 HE2 MET 1 HE2 MET 1 -0.492 -3.572 1.461 11 HE3 MET 1 HE3 MET 1 -2.074 -2.781 1.262 12 H ALA 2 H ALA 2 -0.759 2.914 -0.905 13 HA ALA 2 HA ALA 2 -1.802 4.185 1.477 14 HB1 ALA 2 HB1 ALA 2 -3.051 3.664 -1.299 15 HB2 ALA 2 HB2 ALA 2 -3.749 4.717 -0.102 16 HB3 ALA 2 HB3 ALA 2 -2.172 5.150 -0.824 17 H THR 3 H THR 3 -3.711 4.171 2.363 18 HA THR 3 HA THR 3 -5.119 1.595 2.634 19 HB THR 3 HB THR 3 -6.483 2.928 4.200 20 HG1 THR 3 HG1 THR 3 -5.195 4.827 5.007 21 HG21 THR 3 HG21 THR 3 -4.653 2.893 5.969 22 HG22 THR 3 HG22 THR 3 -4.594 1.470 4.904 23 HG23 THR 3 HG23 THR 3 -3.445 2.816 4.644 24 HA PRO 4 HA PRO 4 -7.800 2.263 -0.348 25 HB2 PRO 4 HB2 PRO 4 -10.146 1.674 1.426 26 HB3 PRO 4 HB3 PRO 4 -9.695 0.944 -0.162 27 HG2 PRO 4 HG2 PRO 4 -9.126 -0.358 2.204 28 HG3 PRO 4 HG3 PRO 4 -7.949 -0.344 0.842 29 HD2 PRO 4 HD2 PRO 4 -7.864 1.283 3.335 30 HD3 PRO 4 HD3 PRO 4 -6.619 0.443 2.390 31 H TRP 5 H TRP 5 -8.961 4.164 2.404 32 HA TRP 5 HA TRP 5 -9.579 6.323 0.472 33 HB2 TRP 5 HB2 TRP 5 -11.705 6.689 1.483 34 HB3 TRP 5 HB3 TRP 5 -11.558 4.943 1.266 35 HD1 TRP 5 HD1 TRP 5 -11.305 3.424 3.430 36 HE1 TRP 5 HE1 TRP 5 -11.954 3.783 5.888 37 HE3 TRP 5 HE3 TRP 5 -11.903 8.518 3.381 38 HZ2 TRP 5 HZ2 TRP 5 -12.650 5.990 7.613 39 HZ3 TRP 5 HZ3 TRP 5 -12.586 9.719 5.447 40 HH2 TRP 5 HH2 TRP 5 -12.950 8.472 7.566 41 H SER 6 H SER 6 -7.743 5.659 3.214 42 HA SER 6 HA SER 6 -7.746 8.545 4.007 43 HB2 SER 6 HB2 SER 6 -6.693 6.168 5.554 44 HB3 SER 6 HB3 SER 6 -6.693 7.856 6.080 45 HG SER 6 HG SER 6 -8.483 6.687 6.918 46 H GLY 7 H GLY 7 -5.994 6.436 2.093 47 HA2 GLY 7 HA2 GLY 7 -3.644 8.315 2.077 48 HA3 GLY 7 HA3 GLY 7 -3.478 6.570 1.868 49 H TYR 8 H TYR 8 -5.682 6.046 0.106 50 HA TYR 8 HA TYR 8 -4.764 6.871 -2.412 51 HB2 TYR 8 HB2 TYR 8 -6.121 4.875 -2.035 52 HB3 TYR 8 HB3 TYR 8 -7.474 5.861 -1.503 53 HD1 TYR 8 HD2 TYR 8 -5.205 5.453 -4.498 54 HD2 TYR 8 HD1 TYR 8 -9.171 6.345 -3.044 55 HE1 TYR 8 HE2 TYR 8 -6.042 5.584 -6.844 56 HE2 TYR 8 HE1 TYR 8 -10.002 6.473 -5.386 57 HH TYR 8 HH TYR 8 -9.467 6.300 -7.614 58 H LEU 9 H LEU 9 -7.554 8.083 -0.556 59 HA LEU 9 HA LEU 9 -8.383 10.142 -2.300 60 HB2 LEU 9 HB2 LEU 9 -9.639 9.267 -0.354 61 HB3 LEU 9 HB3 LEU 9 -8.492 10.024 0.746 62 HG LEU 9 HG LEU 9 -10.700 11.127 0.470 63 HD11 LEU 9 HD11 LEU 9 -9.999 13.381 0.598 64 HD12 LEU 9 HD12 LEU 9 -8.781 12.368 1.387 65 HD13 LEU 9 HD13 LEU 9 -8.475 13.061 -0.214 66 HD21 LEU 9 HD21 LEU 9 -11.198 12.533 -1.442 67 HD22 LEU 9 HD22 LEU 9 -9.712 12.004 -2.259 68 HD23 LEU 9 HD23 LEU 9 -11.014 10.842 -1.935 69 H ASP 10 H ASP 10 -5.932 10.168 0.246 70 HA ASP 10 HA ASP 10 -5.425 12.949 0.239 71 HB2 ASP 10 HB2 ASP 10 -4.877 11.269 2.045 72 HB3 ASP 10 HB3 ASP 10 -3.529 10.708 1.058 73 H ASP 11 H ASP 11 -4.690 10.784 -2.233 74 HA ASP 11 HA ASP 11 -2.624 12.605 -3.415 75 HB2 ASP 11 HB2 ASP 11 -1.971 10.212 -3.214 76 HB3 ASP 11 HB3 ASP 11 -3.380 9.767 -4.180 77 H VAL 12 H VAL 12 -5.773 11.127 -3.921 78 HA VAL 12 HA VAL 12 -6.200 12.150 -6.539 79 HB VAL 12 HB VAL 12 -7.994 10.941 -4.394 80 HG11 VAL 12 HG11 VAL 12 -9.503 12.271 -5.730 81 HG12 VAL 12 HG12 VAL 12 -8.761 11.681 -7.245 82 HG13 VAL 12 HG13 VAL 12 -9.680 10.575 -6.195 83 HG21 VAL 12 HG21 VAL 12 -7.833 8.955 -5.802 84 HG22 VAL 12 HG22 VAL 12 -6.940 9.862 -7.049 85 HG23 VAL 12 HG23 VAL 12 -6.192 9.546 -5.479 86 H SER 13 H SER 13 -7.614 13.097 -3.413 87 HA SER 13 HA SER 13 -8.994 15.399 -4.373 88 HB2 SER 13 HB2 SER 13 -9.536 14.215 -2.316 89 HB3 SER 13 HB3 SER 13 -7.991 14.710 -1.590 90 HG SER 13 HG SER 13 -8.696 16.825 -1.553 91 H ALA 14 H ALA 14 -5.764 14.890 -3.030 92 HA ALA 14 HA ALA 14 -5.041 17.508 -2.543 93 HB1 ALA 14 HB1 ALA 14 -3.847 15.615 -1.703 94 HB2 ALA 14 HB2 ALA 14 -3.337 15.144 -3.352 95 HB3 ALA 14 HB3 ALA 14 -2.725 16.648 -2.611 96 H LYS 15 H LYS 15 -4.818 15.713 -5.625 97 HA LYS 15 HA LYS 15 -3.337 17.541 -7.144 98 HB2 LYS 15 HB2 LYS 15 -3.663 16.103 -8.817 99 HB3 LYS 15 HB3 LYS 15 -4.300 15.079 -7.523 100 HG2 LYS 15 HG2 LYS 15 -6.593 15.987 -8.115 101 HG3 LYS 15 HG3 LYS 15 -5.885 16.650 -9.587 102 HD2 LYS 15 HD2 LYS 15 -5.851 13.724 -8.725 103 HD3 LYS 15 HD3 LYS 15 -6.954 14.424 -9.917 104 HE2 LYS 15 HE2 LYS 15 -5.029 15.013 -11.370 105 HE3 LYS 15 HE3 LYS 15 -3.917 14.312 -10.186 106 HZ1 LYS 15 HZ1 LYS 15 -6.018 12.800 -11.652 107 HZ2 LYS 15 HZ2 LYS 15 -4.417 12.736 -11.956 108 HZ3 LYS 15 HZ3 LYS 15 -4.994 12.154 -10.546 109 H PHE 16 H PHE 16 -6.482 17.875 -5.979 110 HA PHE 16 HA PHE 16 -7.134 20.233 -7.615 111 HB2 PHE 16 HB2 PHE 16 -9.010 18.624 -5.912 112 HB3 PHE 16 HB3 PHE 16 -9.369 19.850 -7.122 113 HD1 PHE 16 HD1 PHE 16 -9.016 19.340 -9.588 114 HD2 PHE 16 HD2 PHE 16 -8.824 16.332 -6.506 115 HE1 PHE 16 HE1 PHE 16 -9.493 17.578 -11.279 116 HE2 PHE 16 HE2 PHE 16 -9.295 14.567 -8.199 117 HZ PHE 16 HZ PHE 16 -9.633 15.196 -10.584 118 H ASP 17 H ASP 17 -5.723 19.795 -4.681 119 HA ASP 17 HA ASP 17 -7.448 20.979 -2.899 120 HB2 ASP 17 HB2 ASP 17 -5.381 19.703 -2.373 121 HB3 ASP 17 HB3 ASP 17 -4.398 21.074 -2.882 122 H THR 18 H THR 18 -5.745 22.764 -5.326 123 HA THR 18 HA THR 18 -6.349 25.319 -4.041 124 HB THR 18 HB THR 18 -4.156 24.893 -5.071 125 HG1 THR 18 HG1 THR 18 -4.055 26.957 -5.914 126 HG21 THR 18 HG21 THR 18 -5.612 25.293 -7.717 127 HG22 THR 18 HG22 THR 18 -3.861 25.113 -7.466 128 HG23 THR 18 HG23 THR 18 -4.941 23.741 -7.157 129 H GLY 19 H GLY 19 -7.570 23.288 -6.644 130 HA2 GLY 19 HA2 GLY 19 -9.276 25.311 -7.905 131 HA3 GLY 19 HA3 GLY 19 -9.320 23.567 -8.170 132 H VAL 20 H VAL 20 -9.787 22.563 -5.627 133 HA VAL 20 HA VAL 20 -12.510 23.080 -4.980 134 HB VAL 20 HB VAL 20 -10.894 21.125 -4.332 135 HG11 VAL 20 HG11 VAL 20 -9.813 21.019 -2.315 136 HG12 VAL 20 HG12 VAL 20 -9.171 22.314 -3.324 137 HG13 VAL 20 HG13 VAL 20 -10.210 22.707 -1.918 138 HG21 VAL 20 HG21 VAL 20 -12.413 20.457 -2.559 139 HG22 VAL 20 HG22 VAL 20 -12.596 22.148 -2.004 140 HG23 VAL 20 HG23 VAL 20 -13.377 21.629 -3.478 141 H ASP 21 H ASP 21 -9.564 24.429 -3.714 142 HA ASP 21 HA ASP 21 -10.847 25.998 -1.777 143 HB2 ASP 21 HB2 ASP 21 -8.669 25.340 -1.415 144 HB3 ASP 21 HB3 ASP 21 -8.129 25.915 -2.970 145 H ASN 22 H ASN 22 -10.573 26.663 -5.203 146 HA ASN 22 HA ASN 22 -11.188 29.471 -4.886 147 HB2 ASN 22 HB2 ASN 22 -11.703 27.444 -7.137 148 HB3 ASN 22 HB3 ASN 22 -12.297 29.075 -7.211 149 HD21 ASN 22 HD22 ASN 22 -8.996 27.603 -6.527 150 HD22 ASN 22 HD21 ASN 22 -8.210 28.799 -7.538 151 H LEU 23 H LEU 23 -12.977 26.457 -4.734 152 HA LEU 23 HA LEU 23 -15.512 27.793 -4.622 153 HB2 LEU 23 HB2 LEU 23 -14.795 25.212 -5.325 154 HB3 LEU 23 HB3 LEU 23 -15.534 25.012 -3.757 155 HG LEU 23 HG LEU 23 -17.168 24.864 -5.475 156 HD11 LEU 23 HD11 LEU 23 -17.724 27.659 -4.485 157 HD12 LEU 23 HD12 LEU 23 -18.806 26.271 -4.711 158 HD13 LEU 23 HD13 LEU 23 -17.689 26.310 -3.354 159 HD21 LEU 23 HD21 LEU 23 -16.575 25.904 -7.392 160 HD22 LEU 23 HD22 LEU 23 -18.085 26.684 -6.834 161 HD23 LEU 23 HD23 LEU 23 -16.523 27.525 -6.628 162 H GLN 24 H GLN 24 -13.397 26.121 -2.329 163 HA GLN 24 HA GLN 24 -14.777 26.549 0.037 164 HB2 GLN 24 HB2 GLN 24 -12.518 25.296 -0.472 165 HB3 GLN 24 HB3 GLN 24 -11.786 26.881 -0.100 166 HG2 GLN 24 HG2 GLN 24 -11.637 25.638 1.816 167 HG3 GLN 24 HG3 GLN 24 -12.919 26.841 2.100 168 HE21 GLN 24 HE22 GLN 24 -12.291 23.338 1.545 169 HE22 GLN 24 HE21 GLN 24 -13.886 22.837 2.088 170 H THR 25 H THR 25 -12.347 28.773 -1.471 171 HA THR 25 HA THR 25 -12.425 30.791 0.455 172 HB THR 25 HB THR 25 -10.828 30.491 -1.447 173 HG1 THR 25 HG1 THR 25 -10.650 32.295 -0.202 174 HG21 THR 25 HG21 THR 25 -12.393 30.431 -3.298 175 HG22 THR 25 HG22 THR 25 -12.721 32.171 -3.098 176 HG23 THR 25 HG23 THR 25 -11.092 31.588 -3.518 177 H GLN 26 H GLN 26 -14.358 30.376 -2.440 178 HA GLN 26 HA GLN 26 -16.134 32.531 -2.113 179 HB2 GLN 26 HB2 GLN 26 -15.923 30.064 -3.749 180 HB3 GLN 26 HB3 GLN 26 -17.566 30.356 -3.310 181 HG2 GLN 26 HG2 GLN 26 -17.525 32.607 -4.236 182 HG3 GLN 26 HG3 GLN 26 -15.777 32.489 -4.543 183 HE21 GLN 26 HE21 GLN 26 -15.205 30.372 -5.967 184 HE22 GLN 26 HE22 GLN 26 -16.266 30.208 -7.367 185 H VAL 27 H VAL 27 -16.748 29.146 -0.950 186 HA VAL 27 HA VAL 27 -19.158 29.887 0.276 187 HB VAL 27 HB VAL 27 -19.329 27.926 1.310 188 HG11 VAL 27 HG11 VAL 27 -18.643 27.692 -1.253 189 HG12 VAL 27 HG12 VAL 27 -17.226 26.867 -0.565 190 HG13 VAL 27 HG13 VAL 27 -18.839 26.255 -0.213 191 HG21 VAL 27 HG21 VAL 27 -16.384 27.460 1.631 192 HG22 VAL 27 HG22 VAL 27 -17.594 27.801 2.895 193 HG23 VAL 27 HG23 VAL 27 -17.674 26.298 1.987 194 H THR 28 H THR 28 -15.830 29.899 1.467 195 HA THR 28 HA THR 28 -16.396 30.530 4.154 196 HB THR 28 HB THR 28 -13.944 31.358 2.636 197 HG1 THR 28 HG1 THR 28 -14.187 29.118 2.472 198 HG21 THR 28 HG21 THR 28 -12.935 30.948 4.959 199 HG22 THR 28 HG22 THR 28 -13.921 32.415 4.686 200 HG23 THR 28 HG23 THR 28 -14.644 31.018 5.533 201 H GLU 29 H GLU 29 -16.038 32.595 1.256 202 HA GLU 29 HA GLU 29 -16.065 34.938 2.855 203 HB2 GLU 29 HB2 GLU 29 -16.402 34.521 -0.076 204 HB3 GLU 29 HB3 GLU 29 -16.507 36.083 0.701 205 HG2 GLU 29 HG2 GLU 29 -14.339 35.835 1.769 206 HG3 GLU 29 HG3 GLU 29 -14.065 34.319 0.973 207 H ALA 30 H ALA 30 -18.641 32.959 1.326 208 HA ALA 30 HA ALA 30 -20.844 34.669 2.000 209 HB1 ALA 30 HB1 ALA 30 -21.029 32.703 0.480 210 HB2 ALA 30 HB2 ALA 30 -20.678 31.624 1.845 211 HB3 ALA 30 HB3 ALA 30 -22.144 32.615 1.873 212 H LEU 31 H LEU 31 -19.077 32.147 3.721 213 HA LEU 31 HA LEU 31 -20.350 32.392 6.226 214 HB2 LEU 31 HB2 LEU 31 -18.908 30.497 5.373 215 HB3 LEU 31 HB3 LEU 31 -17.537 31.569 5.567 216 HG LEU 31 HG LEU 31 -18.282 31.793 8.058 217 HD11 LEU 31 HD11 LEU 31 -19.543 29.135 7.382 218 HD12 LEU 31 HD12 LEU 31 -19.561 30.029 8.934 219 HD13 LEU 31 HD13 LEU 31 -20.510 30.610 7.543 220 HD21 LEU 31 HD21 LEU 31 -17.082 29.314 6.828 221 HD22 LEU 31 HD22 LEU 31 -16.257 30.834 7.252 222 HD23 LEU 31 HD23 LEU 31 -16.953 29.862 8.565 223 H ASP 32 H ASP 32 -17.547 34.234 4.835 224 HA ASP 32 HA ASP 32 -16.858 35.629 7.149 225 HB2 ASP 32 HB2 ASP 32 -15.482 35.810 5.206 226 HB3 ASP 32 HB3 ASP 32 -16.769 36.436 4.206 227 H LYS 33 H LYS 33 -19.621 36.063 4.977 228 HA LYS 33 HA LYS 33 -20.757 38.265 6.384 229 HB2 LYS 33 HB2 LYS 33 -22.412 36.475 4.754 230 HB3 LYS 33 HB3 LYS 33 -22.458 38.228 5.037 231 HG2 LYS 33 HG2 LYS 33 -20.939 36.564 3.095 232 HG3 LYS 33 HG3 LYS 33 -21.972 37.928 2.780 233 HD2 LYS 33 HD2 LYS 33 -20.182 39.392 3.863 234 HD3 LYS 33 HD3 LYS 33 -19.102 37.963 3.801 235 HE2 LYS 33 HE2 LYS 33 -19.417 37.711 1.431 236 HE3 LYS 33 HE3 LYS 33 -20.453 39.153 1.384 237 HZ1 LYS 33 HZ1 LYS 33 -17.614 39.144 2.281 238 HZ2 LYS 33 HZ2 LYS 33 -18.112 39.658 0.808 239 HZ3 LYS 33 HZ3 LYS 33 -18.559 40.467 2.155 240 H LEU 34 H LEU 34 -21.319 34.737 6.397 241 HA LEU 34 HA LEU 34 -23.422 34.838 8.244 242 HB2 LEU 34 HB2 LEU 34 -22.520 33.066 6.555 243 HB3 LEU 34 HB3 LEU 34 -21.960 32.275 8.050 244 HG LEU 34 HG LEU 34 -24.808 33.216 7.456 245 HD11 LEU 34 HD11 LEU 34 -23.617 30.476 7.225 246 HD12 LEU 34 HD12 LEU 34 -25.328 30.940 6.954 247 HD13 LEU 34 HD13 LEU 34 -24.069 31.615 5.924 248 HD21 LEU 34 HD21 LEU 34 -24.356 32.647 9.870 249 HD22 LEU 34 HD22 LEU 34 -25.713 31.830 9.048 250 HD23 LEU 34 HD23 LEU 34 -24.156 30.978 9.385 251 H ALA 35 H ALA 35 -20.009 34.845 8.757 252 HA ALA 35 HA ALA 35 -20.107 34.355 11.609 253 HB1 ALA 35 HB1 ALA 35 -18.237 33.654 10.187 254 HB2 ALA 35 HB2 ALA 35 -17.908 35.347 9.750 255 HB3 ALA 35 HB3 ALA 35 -17.700 34.807 11.438 256 H ALA 36 H ALA 36 -20.553 37.083 9.436 257 HA ALA 36 HA ALA 36 -20.131 39.235 11.337 258 HB1 ALA 36 HB1 ALA 36 -19.564 39.491 8.958 259 HB2 ALA 36 HB2 ALA 36 -21.266 39.312 8.491 260 HB3 ALA 36 HB3 ALA 36 -20.758 40.683 9.484 261 H LYS 37 H LYS 37 -23.035 37.984 9.697 262 HA LYS 37 HA LYS 37 -24.874 39.107 11.819 263 HB2 LYS 37 HB2 LYS 37 -24.502 40.461 9.537 264 HB3 LYS 37 HB3 LYS 37 -25.389 39.142 8.863 265 HG2 LYS 37 HG2 LYS 37 -27.313 39.746 10.445 266 HG3 LYS 37 HG3 LYS 37 -26.353 41.179 10.894 267 HD2 LYS 37 HD2 LYS 37 -26.137 41.704 8.419 268 HD3 LYS 37 HD3 LYS 37 -27.245 40.385 8.071 269 HE2 LYS 37 HE2 LYS 37 -27.892 42.778 9.858 270 HE3 LYS 37 HE3 LYS 37 -28.177 42.722 8.113 271 HZ1 LYS 37 HZ1 LYS 37 -30.181 42.117 9.344 272 HZ2 LYS 37 HZ2 LYS 37 -29.674 40.859 8.433 273 HZ3 LYS 37 HZ3 LYS 37 -29.421 40.861 10.062 274 HA PRO 38 HA PRO 38 -24.610 34.716 10.170 275 HB2 PRO 38 HB2 PRO 38 -25.793 33.659 12.673 276 HB3 PRO 38 HB3 PRO 38 -24.315 33.245 11.776 277 HG2 PRO 38 HG2 PRO 38 -24.669 35.175 13.976 278 HG3 PRO 38 HG3 PRO 38 -23.134 34.567 13.287 279 HD2 PRO 38 HD2 PRO 38 -24.121 37.146 12.970 280 HD3 PRO 38 HD3 PRO 38 -22.985 36.383 11.823 281 H SER 39 H SER 39 -27.736 34.425 11.898 282 HA SER 39 HA SER 39 -28.483 32.891 9.625 283 HB2 SER 39 HB2 SER 39 -30.497 32.372 10.796 284 HB3 SER 39 HB3 SER 39 -29.051 32.091 11.745 285 HG SER 39 HG SER 39 -30.707 33.178 12.970 286 H ASP 40 H ASP 40 -28.252 36.034 9.595 287 HA ASP 40 HA ASP 40 -30.555 37.159 8.424 288 HB2 ASP 40 HB2 ASP 40 -28.584 38.508 8.830 289 HB3 ASP 40 HB3 ASP 40 -27.641 37.573 7.726 290 HA PRO 41 HA PRO 41 -30.693 33.716 5.660 291 HB2 PRO 41 HB2 PRO 41 -33.082 34.178 4.352 292 HB3 PRO 41 HB3 PRO 41 -32.934 33.565 6.038 293 HG2 PRO 41 HG2 PRO 41 -33.354 36.430 5.040 294 HG3 PRO 41 HG3 PRO 41 -34.288 35.577 6.326 295 HD2 PRO 41 HD2 PRO 41 -32.254 37.262 6.918 296 HD3 PRO 41 HD3 PRO 41 -32.525 35.763 7.862 297 H ALA 42 H ALA 42 -30.860 37.012 4.381 298 HA ALA 42 HA ALA 42 -30.600 36.292 1.658 299 HB1 ALA 42 HB1 ALA 42 -29.747 38.812 3.123 300 HB2 ALA 42 HB2 ALA 42 -30.063 38.650 1.375 301 HB3 ALA 42 HB3 ALA 42 -31.388 38.431 2.554 302 H LEU 43 H LEU 43 -28.082 36.976 4.181 303 HA LEU 43 HA LEU 43 -25.922 36.129 2.394 304 HB2 LEU 43 HB2 LEU 43 -24.478 36.754 4.096 305 HB3 LEU 43 HB3 LEU 43 -25.754 37.970 4.082 306 HG LEU 43 HG LEU 43 -26.733 36.502 6.039 307 HD11 LEU 43 HD11 LEU 43 -23.803 35.995 6.240 308 HD12 LEU 43 HD12 LEU 43 -25.088 35.454 7.366 309 HD13 LEU 43 HD13 LEU 43 -24.856 34.699 5.765 310 HD21 LEU 43 HD21 LEU 43 -24.223 38.172 6.320 311 HD22 LEU 43 HD22 LEU 43 -25.930 38.686 6.582 312 HD23 LEU 43 HD23 LEU 43 -25.140 37.512 7.688 313 H LEU 44 H LEU 44 -27.595 34.602 5.217 314 HA LEU 44 HA LEU 44 -25.924 32.241 5.247 315 HB2 LEU 44 HB2 LEU 44 -26.989 32.366 7.192 316 HB3 LEU 44 HB3 LEU 44 -28.323 33.196 6.634 317 HG LEU 44 HG LEU 44 -29.096 31.285 7.618 318 HD11 LEU 44 HD11 LEU 44 -30.113 31.683 5.213 319 HD12 LEU 44 HD12 LEU 44 -29.274 30.156 4.819 320 HD13 LEU 44 HD13 LEU 44 -30.481 30.192 6.100 321 HD21 LEU 44 HD21 LEU 44 -28.479 29.009 6.979 322 HD22 LEU 44 HD22 LEU 44 -27.211 29.667 5.904 323 HD23 LEU 44 HD23 LEU 44 -27.178 29.962 7.705 324 H ALA 45 H ALA 45 -28.888 33.012 3.280 325 HA ALA 45 HA ALA 45 -28.792 30.359 2.397 326 HB1 ALA 45 HB1 ALA 45 -30.256 32.684 1.061 327 HB2 ALA 45 HB2 ALA 45 -30.547 30.960 0.748 328 HB3 ALA 45 HB3 ALA 45 -30.909 31.633 2.347 329 H ALA 46 H ALA 46 -27.206 33.294 1.226 330 HA ALA 46 HA ALA 46 -26.226 32.202 -1.215 331 HB1 ALA 46 HB1 ALA 46 -25.004 34.348 0.572 332 HB2 ALA 46 HB2 ALA 46 -24.597 33.975 -1.128 333 HB3 ALA 46 HB3 ALA 46 -26.204 34.609 -0.720 334 H TYR 47 H TYR 47 -25.076 32.062 2.180 335 HA TYR 47 HA TYR 47 -22.663 30.621 1.753 336 HB2 TYR 47 HB2 TYR 47 -23.414 31.698 3.922 337 HB3 TYR 47 HB3 TYR 47 -24.617 30.543 4.020 338 HD1 TYR 47 HD1 TYR 47 -20.902 30.277 3.520 339 HD2 TYR 47 HD2 TYR 47 -24.461 28.678 5.339 340 HE1 TYR 47 HE1 TYR 47 -19.567 28.423 4.502 341 HE2 TYR 47 HE2 TYR 47 -23.116 26.872 6.385 342 HH TYR 47 HH TYR 47 -21.037 25.917 6.594 343 H GLN 48 H GLN 48 -25.885 29.439 2.631 344 HA GLN 48 HA GLN 48 -25.078 26.805 2.442 345 HB2 GLN 48 HB2 GLN 48 -27.294 26.123 2.876 346 HB3 GLN 48 HB3 GLN 48 -26.951 27.630 3.707 347 HG2 GLN 48 HG2 GLN 48 -28.975 28.085 2.949 348 HG3 GLN 48 HG3 GLN 48 -27.956 28.719 1.667 349 HE21 GLN 48 HE22 GLN 48 -28.747 28.394 -0.380 350 HE22 GLN 48 HE21 GLN 48 -29.656 26.963 -0.846 351 H SER 49 H SER 49 -26.214 28.960 -0.032 352 HA SER 49 HA SER 49 -26.442 27.118 -2.173 353 HB2 SER 49 HB2 SER 49 -25.804 30.135 -2.061 354 HB3 SER 49 HB3 SER 49 -25.695 29.271 -3.577 355 HG SER 49 HG SER 49 -27.807 30.162 -3.212 356 H LYS 50 H LYS 50 -23.644 29.087 -1.082 357 HA LYS 50 HA LYS 50 -21.886 27.996 -3.045 358 HB2 LYS 50 HB2 LYS 50 -21.381 29.574 -0.435 359 HB3 LYS 50 HB3 LYS 50 -20.137 29.147 -1.595 360 HG2 LYS 50 HG2 LYS 50 -22.468 30.380 -2.953 361 HG3 LYS 50 HG3 LYS 50 -21.742 31.408 -1.736 362 HD2 LYS 50 HD2 LYS 50 -20.766 31.864 -3.813 363 HD3 LYS 50 HD3 LYS 50 -19.566 31.127 -2.701 364 HE2 LYS 50 HE2 LYS 50 -19.045 29.640 -4.287 365 HE3 LYS 50 HE3 LYS 50 -20.619 28.948 -4.041 366 HZ1 LYS 50 HZ1 LYS 50 -21.422 30.598 -5.802 367 HZ2 LYS 50 HZ2 LYS 50 -19.851 31.018 -6.056 368 HZ3 LYS 50 HZ3 LYS 50 -20.345 29.511 -6.387 369 H LEU 51 H LEU 51 -22.511 27.059 0.255 370 HA LEU 51 HA LEU 51 -20.746 24.894 0.674 371 HB2 LEU 51 HB2 LEU 51 -21.986 25.840 2.406 372 HB3 LEU 51 HB3 LEU 51 -23.445 25.929 1.473 373 HG LEU 51 HG LEU 51 -22.472 23.505 2.960 374 HD11 LEU 51 HD11 LEU 51 -25.093 25.016 3.325 375 HD12 LEU 51 HD12 LEU 51 -24.146 24.103 4.507 376 HD13 LEU 51 HD13 LEU 51 -23.613 25.719 3.983 377 HD21 LEU 51 HD21 LEU 51 -24.828 22.647 2.461 378 HD22 LEU 51 HD22 LEU 51 -24.953 23.886 1.202 379 HD23 LEU 51 HD23 LEU 51 -23.740 22.587 1.079 380 H SER 52 H SER 52 -23.892 25.047 -1.043 381 HA SER 52 HA SER 52 -23.789 22.337 -1.917 382 HB2 SER 52 HB2 SER 52 -25.363 24.611 -3.143 383 HB3 SER 52 HB3 SER 52 -25.582 22.877 -3.382 384 HG SER 52 HG SER 52 -25.999 24.353 -0.982 385 H GLU 53 H GLU 53 -22.865 25.426 -3.529 386 HA GLU 53 HA GLU 53 -22.154 24.345 -6.010 387 HB2 GLU 53 HB2 GLU 53 -20.898 26.643 -4.580 388 HB3 GLU 53 HB3 GLU 53 -20.564 26.099 -6.240 389 HG2 GLU 53 HG2 GLU 53 -23.007 27.516 -5.273 390 HG3 GLU 53 HG3 GLU 53 -21.645 28.036 -6.295 391 H TYR 54 H TYR 54 -20.292 24.607 -3.004 392 HA TYR 54 HA TYR 54 -17.857 23.598 -4.091 393 HB2 TYR 54 HB2 TYR 54 -17.268 24.667 -2.233 394 HB3 TYR 54 HB3 TYR 54 -18.818 24.491 -1.501 395 HD1 TYR 54 HD2 TYR 54 -15.498 23.028 -2.078 396 HD2 TYR 54 HD1 TYR 54 -19.220 22.666 0.068 397 HE1 TYR 54 HE2 TYR 54 -14.452 21.409 -0.574 398 HE2 TYR 54 HE1 TYR 54 -18.217 21.025 1.576 399 HH TYR 54 HH TYR 54 -14.743 20.020 1.298 400 H ASN 55 H ASN 55 -20.659 22.010 -2.492 401 HA ASN 55 HA ASN 55 -19.545 19.435 -2.728 402 HB2 ASN 55 HB2 ASN 55 -21.864 20.398 -1.589 403 HB3 ASN 55 HB3 ASN 55 -22.413 19.465 -2.994 404 HD21 ASN 55 HD22 ASN 55 -21.124 17.289 -3.300 405 HD22 ASN 55 HD21 ASN 55 -21.053 16.341 -1.814 406 H LEU 56 H LEU 56 -21.246 21.466 -5.120 407 HA LEU 56 HA LEU 56 -21.472 19.535 -7.245 408 HB2 LEU 56 HB2 LEU 56 -21.586 22.497 -6.911 409 HB3 LEU 56 HB3 LEU 56 -21.264 21.985 -8.496 410 HG LEU 56 HG LEU 56 -23.363 21.063 -8.841 411 HD11 LEU 56 HD11 LEU 56 -25.097 20.698 -7.133 412 HD12 LEU 56 HD12 LEU 56 -23.692 19.666 -6.844 413 HD13 LEU 56 HD13 LEU 56 -23.946 21.117 -5.854 414 HD21 LEU 56 HD21 LEU 56 -23.849 23.361 -6.894 415 HD22 LEU 56 HD22 LEU 56 -23.232 23.580 -8.531 416 HD23 LEU 56 HD23 LEU 56 -24.856 22.891 -8.283 417 H TYR 57 H TYR 57 -18.992 21.988 -6.388 418 HA TYR 57 HA TYR 57 -17.115 21.351 -8.355 419 HB2 TYR 57 HB2 TYR 57 -16.567 23.218 -7.196 420 HB3 TYR 57 HB3 TYR 57 -16.819 22.507 -5.617 421 HD1 TYR 57 HD1 TYR 57 -14.507 22.776 -8.476 422 HD2 TYR 57 HD2 TYR 57 -15.282 20.825 -4.704 423 HE1 TYR 57 HE1 TYR 57 -12.440 21.418 -8.750 424 HE2 TYR 57 HE2 TYR 57 -13.295 19.389 -5.029 425 HH TYR 57 HH TYR 57 -11.332 19.597 -8.026 426 H ARG 58 H ARG 58 -17.817 19.819 -5.247 427 HA ARG 58 HA ARG 58 -16.053 17.614 -5.417 428 HB2 ARG 58 HB2 ARG 58 -17.813 18.749 -3.525 429 HB3 ARG 58 HB3 ARG 58 -18.547 17.204 -3.839 430 HG2 ARG 58 HG2 ARG 58 -17.114 17.104 -1.936 431 HG3 ARG 58 HG3 ARG 58 -16.438 16.091 -3.230 432 HD2 ARG 58 HD2 ARG 58 -15.212 18.616 -3.581 433 HD3 ARG 58 HD3 ARG 58 -15.310 18.427 -1.837 434 HE ARG 58 HE ARG 58 -14.156 16.283 -3.604 435 HH11 ARG 58 HH21 ARG 58 -13.648 18.335 -0.789 436 HH12 ARG 58 HH22 ARG 58 -12.118 17.570 -0.446 437 HH21 ARG 58 HH11 ARG 58 -12.215 15.478 -3.156 438 HH22 ARG 58 HH12 ARG 58 -11.282 16.068 -1.806 439 H ASN 59 H ASN 59 -19.402 17.933 -6.484 440 HA ASN 59 HA ASN 59 -19.880 15.257 -7.203 441 HB2 ASN 59 HB2 ASN 59 -21.592 17.169 -7.028 442 HB3 ASN 59 HB3 ASN 59 -21.020 17.714 -8.600 443 HD21 ASN 59 HD22 ASN 59 -22.826 15.189 -6.921 444 HD22 ASN 59 HD21 ASN 59 -23.461 14.472 -8.393 445 H ALA 60 H ALA 60 -18.627 17.977 -9.084 446 HA ALA 60 HA ALA 60 -17.892 16.609 -11.463 447 HB1 ALA 60 HB1 ALA 60 -18.262 19.085 -11.125 448 HB2 ALA 60 HB2 ALA 60 -16.835 19.150 -10.107 449 HB3 ALA 60 HB3 ALA 60 -16.646 18.733 -11.829 450 H GLN 61 H GLN 61 -16.024 17.362 -8.501 451 HA GLN 61 HA GLN 61 -13.903 15.600 -9.251 452 HB2 GLN 61 HB2 GLN 61 -13.642 17.637 -8.067 453 HB3 GLN 61 HB3 GLN 61 -14.341 16.861 -6.602 454 HG2 GLN 61 HG2 GLN 61 -12.298 15.095 -7.541 455 HG3 GLN 61 HG3 GLN 61 -11.636 16.700 -7.800 456 HE21 GLN 61 HE22 GLN 61 -11.344 18.100 -5.887 457 HE22 GLN 61 HE21 GLN 61 -11.143 17.333 -4.308 458 H SER 62 H SER 62 -16.416 14.521 -9.170 459 HA SER 62 HA SER 62 -15.712 11.927 -8.081 460 HB2 SER 62 HB2 SER 62 -17.313 12.962 -6.502 461 HB3 SER 62 HB3 SER 62 -18.505 13.044 -7.816 462 HG SER 62 HG SER 62 -18.703 11.159 -6.436 463 H ASN 63 H ASN 63 -16.111 13.680 -10.706 464 HA ASN 63 HA ASN 63 -17.321 11.619 -12.373 465 HB2 ASN 63 HB2 ASN 63 -18.298 14.017 -12.098 466 HB3 ASN 63 HB3 ASN 63 -16.966 14.573 -13.068 467 HD21 ASN 63 HD22 ASN 63 -19.637 14.912 -13.875 468 HD22 ASN 63 HD21 ASN 63 -19.886 13.922 -15.306 469 H THR 64 H THR 64 -14.830 14.117 -12.406 470 HA THR 64 HA THR 64 -13.061 13.142 -14.309 471 HB THR 64 HB THR 64 -13.007 15.260 -13.304 472 HG1 THR 64 HG1 THR 64 -10.847 15.530 -13.157 473 HG21 THR 64 HG21 THR 64 -13.562 14.428 -10.939 474 HG22 THR 64 HG22 THR 64 -11.818 14.173 -10.744 475 HG23 THR 64 HG23 THR 64 -12.451 15.803 -11.080 476 H VAL 65 H VAL 65 -13.278 12.346 -10.984 477 HA VAL 65 HA VAL 65 -11.257 10.508 -10.523 478 HB VAL 65 HB VAL 65 -14.112 10.251 -9.543 479 HG11 VAL 65 HG11 VAL 65 -12.417 8.610 -8.701 480 HG12 VAL 65 HG12 VAL 65 -11.420 9.976 -8.139 481 HG13 VAL 65 HG13 VAL 65 -13.014 9.668 -7.407 482 HG21 VAL 65 HG21 VAL 65 -12.177 12.448 -8.810 483 HG22 VAL 65 HG22 VAL 65 -13.853 12.573 -9.413 484 HG23 VAL 65 HG23 VAL 65 -13.542 11.941 -7.791 485 H LYS 66 H LYS 66 -14.509 9.947 -11.752 486 HA LYS 66 HA LYS 66 -14.240 7.189 -12.514 487 HB2 LYS 66 HB2 LYS 66 -16.327 9.359 -12.581 488 HB3 LYS 66 HB3 LYS 66 -16.547 7.967 -13.643 489 HG2 LYS 66 HG2 LYS 66 -17.772 7.717 -11.581 490 HG3 LYS 66 HG3 LYS 66 -16.558 6.448 -11.740 491 HD2 LYS 66 HD2 LYS 66 -15.191 7.346 -10.040 492 HD3 LYS 66 HD3 LYS 66 -15.940 8.940 -10.121 493 HE2 LYS 66 HE2 LYS 66 -17.409 6.463 -9.137 494 HE3 LYS 66 HE3 LYS 66 -16.498 7.553 -8.086 495 HZ1 LYS 66 HZ1 LYS 66 -18.859 8.317 -9.709 496 HZ2 LYS 66 HZ2 LYS 66 -18.774 8.250 -8.078 497 HZ3 LYS 66 HZ3 LYS 66 -17.941 9.393 -8.901 498 H VAL 67 H VAL 67 -12.842 9.830 -13.890 499 HA VAL 67 HA VAL 67 -12.807 8.743 -16.602 500 HB VAL 67 HB VAL 67 -12.513 11.480 -15.420 501 HG11 VAL 67 HG11 VAL 67 -10.631 11.427 -16.801 502 HG12 VAL 67 HG12 VAL 67 -11.563 10.699 -18.148 503 HG13 VAL 67 HG13 VAL 67 -11.903 12.392 -17.545 504 HG21 VAL 67 HG21 VAL 67 -14.130 10.404 -17.695 505 HG22 VAL 67 HG22 VAL 67 -14.669 10.485 -16.011 506 HG23 VAL 67 HG23 VAL 67 -14.281 12.003 -16.855 507 H PHE 68 H PHE 68 -10.677 9.837 -13.945 508 HA PHE 68 HA PHE 68 -8.293 8.838 -15.176 509 HB2 PHE 68 HB2 PHE 68 -9.191 9.249 -12.307 510 HB3 PHE 68 HB3 PHE 68 -7.555 8.707 -12.738 511 HD1 PHE 68 HD1 PHE 68 -6.447 10.280 -14.724 512 HD2 PHE 68 HD2 PHE 68 -9.370 11.535 -11.813 513 HE1 PHE 68 HE1 PHE 68 -5.810 12.648 -15.102 514 HE2 PHE 68 HE2 PHE 68 -8.772 13.898 -12.236 515 HZ PHE 68 HZ PHE 68 -6.989 14.467 -13.877 516 H LYS 69 H LYS 69 -11.073 7.326 -13.637 517 HA LYS 69 HA LYS 69 -10.193 4.642 -13.507 518 HB2 LYS 69 HB2 LYS 69 -12.282 5.275 -12.521 519 HB3 LYS 69 HB3 LYS 69 -12.821 6.086 -13.974 520 HG2 LYS 69 HG2 LYS 69 -12.422 3.121 -14.163 521 HG3 LYS 69 HG3 LYS 69 -13.786 3.713 -13.216 522 HD2 LYS 69 HD2 LYS 69 -14.855 4.737 -15.040 523 HD3 LYS 69 HD3 LYS 69 -13.395 4.877 -15.985 524 HE2 LYS 69 HE2 LYS 69 -14.687 3.167 -17.015 525 HE3 LYS 69 HE3 LYS 69 -13.301 2.391 -16.239 526 HZ1 LYS 69 HZ1 LYS 69 -14.784 1.758 -14.398 527 HZ2 LYS 69 HZ2 LYS 69 -16.056 2.500 -15.113 528 HZ3 LYS 69 HZ3 LYS 69 -15.378 1.190 -15.806 529 H ASP 70 H ASP 70 -11.203 6.613 -16.279 530 HA ASP 70 HA ASP 70 -11.067 4.484 -18.181 531 HB2 ASP 70 HB2 ASP 70 -12.532 6.532 -18.390 532 HB3 ASP 70 HB3 ASP 70 -11.051 7.386 -18.847 533 H ILE 71 H ILE 71 -8.844 7.005 -17.096 534 HA ILE 71 HA ILE 71 -6.812 6.229 -18.915 535 HB ILE 71 HB ILE 71 -7.137 8.365 -17.261 536 HG12 ILE 71 HG12 ILE 71 -5.660 8.045 -19.321 537 HG13 ILE 71 HG13 ILE 71 -5.119 9.209 -18.115 538 HG21 ILE 71 HG21 ILE 71 -6.460 7.593 -15.118 539 HG22 ILE 71 HG22 ILE 71 -5.048 6.753 -15.746 540 HG23 ILE 71 HG23 ILE 71 -5.135 8.521 -15.732 541 HD11 ILE 71 HD11 ILE 71 -3.313 7.634 -18.988 542 HD12 ILE 71 HD12 ILE 71 -3.496 7.718 -17.217 543 HD13 ILE 71 HD13 ILE 71 -4.156 6.336 -18.090 544 H ASP 72 H ASP 72 -7.466 5.224 -15.595 545 HA ASP 72 HA ASP 72 -5.484 3.244 -15.456 546 HB2 ASP 72 HB2 ASP 72 -6.628 4.104 -13.533 547 HB3 ASP 72 HB3 ASP 72 -8.168 3.577 -14.185 548 H ALA 73 H ALA 73 -8.761 2.988 -16.830 549 HA ALA 73 HA ALA 73 -8.599 0.265 -17.584 550 HB1 ALA 73 HB1 ALA 73 -10.445 0.839 -19.124 551 HB2 ALA 73 HB2 ALA 73 -10.690 1.600 -17.542 552 HB3 ALA 73 HB3 ALA 73 -10.115 2.569 -18.914 553 H ALA 74 H ALA 74 -6.653 2.817 -18.742 554 HA ALA 74 HA ALA 74 -5.837 1.328 -21.137 555 HB1 ALA 74 HB1 ALA 74 -4.650 3.410 -21.740 556 HB2 ALA 74 HB2 ALA 74 -6.375 3.734 -21.451 557 HB3 ALA 74 HB3 ALA 74 -5.177 4.168 -20.224 558 H ILE 75 H ILE 75 -4.675 2.502 -17.980 559 HA ILE 75 HA ILE 75 -2.079 1.393 -18.094 560 HB ILE 75 HB ILE 75 -3.891 1.672 -15.669 561 HG12 ILE 75 HG12 ILE 75 -1.583 3.426 -16.598 562 HG13 ILE 75 HG13 ILE 75 -3.238 3.757 -16.999 563 HG21 ILE 75 HG21 ILE 75 -1.809 1.537 -14.315 564 HG22 ILE 75 HG22 ILE 75 -2.119 0.035 -15.163 565 HG23 ILE 75 HG23 ILE 75 -0.884 1.155 -15.783 566 HD11 ILE 75 HD11 ILE 75 -1.944 3.803 -14.244 567 HD12 ILE 75 HD12 ILE 75 -2.642 5.153 -15.146 568 HD13 ILE 75 HD13 ILE 75 -3.701 3.902 -14.471 569 H LEU 76 H LEU 76 -5.219 -0.017 -17.355 570 HA LEU 76 HA LEU 76 -4.807 -2.688 -16.774 571 HB2 LEU 76 HB2 LEU 76 -6.931 -1.259 -16.996 572 HB3 LEU 76 HB3 LEU 76 -6.792 -1.478 -18.735 573 HG LEU 76 HG LEU 76 -7.012 -3.991 -18.287 574 HD11 LEU 76 HD11 LEU 76 -7.966 -2.871 -15.613 575 HD12 LEU 76 HD12 LEU 76 -8.154 -4.561 -16.146 576 HD13 LEU 76 HD13 LEU 76 -6.535 -3.909 -15.836 577 HD21 LEU 76 HD21 LEU 76 -9.321 -2.146 -17.554 578 HD22 LEU 76 HD22 LEU 76 -8.831 -2.605 -19.200 579 HD23 LEU 76 HD23 LEU 76 -9.461 -3.835 -18.092 580 H GLU 77 H GLU 77 -4.500 -1.098 -19.933 581 HA GLU 77 HA GLU 77 -3.947 -3.553 -21.383 582 HB2 GLU 77 HB2 GLU 77 -4.238 -0.659 -22.300 583 HB3 GLU 77 HB3 GLU 77 -3.987 -2.056 -23.362 584 HG2 GLU 77 HG2 GLU 77 -6.121 -3.038 -22.351 585 HG3 GLU 77 HG3 GLU 77 -6.397 -1.469 -21.606 586 H HIS 78 H HIS 78 -2.120 -1.683 -19.448 587 HA HIS 78 HA HIS 78 0.394 -1.834 -21.067 588 HB2 HIS 78 HB2 HIS 78 -0.660 0.445 -20.292 589 HB3 HIS 78 HB3 HIS 78 -0.125 -0.018 -18.692 590 HD1 HIS 78 HD1 HIS 78 1.300 1.037 -22.090 591 HD2 HIS 78 HD2 HIS 78 2.531 0.041 -18.189 592 HE1 HIS 78 HE1 HIS 78 3.749 1.731 -21.916 593 H HIS 79 H HIS 79 -1.131 -2.620 -17.998 594 HA HIS 79 HA HIS 79 0.974 -3.169 -16.310 595 HB2 HIS 79 HB2 HIS 79 -1.332 -3.058 -15.611 596 HB3 HIS 79 HB3 HIS 79 -1.765 -4.446 -16.607 597 HD1 HIS 79 HD1 HIS 79 -1.499 -6.811 -15.506 598 HD2 HIS 79 HD2 HIS 79 0.234 -3.634 -13.354 599 HE1 HIS 79 HE1 HIS 79 -0.787 -7.777 -13.251 600 H HIS 80 H HIS 80 2.433 -4.696 -15.973 601 HA HIS 80 HA HIS 80 2.115 -7.441 -17.024 602 HB2 HIS 80 HB2 HIS 80 3.447 -5.825 -18.611 603 HB3 HIS 80 HB3 HIS 80 4.747 -6.001 -17.443 604 HD1 HIS 80 HD1 HIS 80 5.026 -8.969 -16.950 605 HD2 HIS 80 HD2 HIS 80 3.669 -7.416 -20.611 606 HE1 HIS 80 HE1 HIS 80 5.442 -10.797 -18.698 607 H HIS 81 H HIS 81 2.119 -5.994 -14.310 608 HA HIS 81 HA HIS 81 4.525 -7.061 -12.976 609 HB2 HIS 81 HB2 HIS 81 3.449 -4.678 -12.762 610 HB3 HIS 81 HB3 HIS 81 2.346 -5.457 -11.635 611 HD1 HIS 81 HD1 HIS 81 4.045 -7.033 -9.722 612 HD2 HIS 81 HD2 HIS 81 5.396 -3.516 -11.584 613 HE1 HIS 81 HE1 HIS 81 5.937 -6.123 -8.245 614 H HIS 82 H HIS 82 2.109 -8.728 -13.943 615 HA HIS 82 HA HIS 82 0.790 -9.909 -11.694 616 HB2 HIS 82 HB2 HIS 82 0.274 -11.716 -13.371 617 HB3 HIS 82 HB3 HIS 82 -0.184 -10.092 -13.847 618 HD1 HIS 82 HD1 HIS 82 0.422 -9.581 -16.310 619 HD2 HIS 82 HD2 HIS 82 2.913 -12.445 -14.492 620 HE1 HIS 82 HE1 HIS 82 2.086 -10.318 -18.095 621 H HIS 83 H HIS 83 0.975 -12.140 -11.014 622 HA HIS 83 HA HIS 83 3.574 -13.516 -11.189 623 HB2 HIS 83 HB2 HIS 83 3.885 -11.977 -9.300 624 HB3 HIS 83 HB3 HIS 83 2.378 -12.525 -8.566 625 HD1 HIS 83 HD1 HIS 83 2.468 -14.888 -7.289 626 HD2 HIS 83 HD2 HIS 83 6.027 -13.649 -9.155 627 HE1 HIS 83 HE1 HIS 83 4.304 -16.436 -6.416 Start of MODEL 12 1 H1 MET 1 H1 MET 1 13.703 4.926 -8.498 2 H2 MET 1 H2 MET 1 13.879 4.357 -10.025 3 H3 MET 1 H3 MET 1 12.815 5.564 -9.716 4 HA MET 1 HA MET 1 11.606 3.525 -10.025 5 HB2 MET 1 HB2 MET 1 13.448 2.514 -7.815 6 HB3 MET 1 HB3 MET 1 11.900 1.762 -8.192 7 HG2 MET 1 HG2 MET 1 13.583 0.528 -9.309 8 HG3 MET 1 HG3 MET 1 12.615 1.363 -10.517 9 HE1 MET 1 HE1 MET 1 16.141 1.062 -12.202 10 HE2 MET 1 HE2 MET 1 15.382 -0.111 -11.104 11 HE3 MET 1 HE3 MET 1 14.403 0.713 -12.341 12 H ALA 2 H ALA 2 9.588 3.494 -9.138 13 HA ALA 2 HA ALA 2 9.006 4.472 -6.396 14 HB1 ALA 2 HB1 ALA 2 9.099 6.592 -7.918 15 HB2 ALA 2 HB2 ALA 2 7.828 5.810 -8.918 16 HB3 ALA 2 HB3 ALA 2 7.474 6.246 -7.269 17 H THR 3 H THR 3 6.941 4.429 -5.810 18 HA THR 3 HA THR 3 5.250 2.306 -6.954 19 HB THR 3 HB THR 3 3.717 3.115 -5.197 20 HG1 THR 3 HG1 THR 3 4.551 4.456 -3.591 21 HG21 THR 3 HG21 THR 3 6.564 2.325 -4.380 22 HG22 THR 3 HG22 THR 3 5.120 2.095 -3.340 23 HG23 THR 3 HG23 THR 3 5.259 1.207 -4.876 24 HA PRO 4 HA PRO 4 3.270 4.601 -9.684 25 HB2 PRO 4 HB2 PRO 4 0.595 3.822 -8.569 26 HB3 PRO 4 HB3 PRO 4 1.189 3.762 -10.275 27 HG2 PRO 4 HG2 PRO 4 1.220 1.480 -8.748 28 HG3 PRO 4 HG3 PRO 4 2.648 1.911 -9.768 29 HD2 PRO 4 HD2 PRO 4 2.374 2.256 -6.818 30 HD3 PRO 4 HD3 PRO 4 3.685 1.674 -7.857 31 H TRP 5 H TRP 5 2.189 5.596 -6.499 32 HA TRP 5 HA TRP 5 1.667 8.323 -7.593 33 HB2 TRP 5 HB2 TRP 5 -0.050 6.909 -5.527 34 HB3 TRP 5 HB3 TRP 5 -0.296 8.541 -6.139 35 HD1 TRP 5 HD1 TRP 5 -1.524 5.157 -6.605 36 HE1 TRP 5 HE1 TRP 5 -2.841 4.879 -8.792 37 HE3 TRP 5 HE3 TRP 5 -0.097 9.475 -8.965 38 HZ2 TRP 5 HZ2 TRP 5 -3.221 6.337 -11.254 39 HZ3 TRP 5 HZ3 TRP 5 -0.957 10.008 -11.238 40 HH2 TRP 5 HH2 TRP 5 -2.513 8.450 -12.389 41 H SER 6 H SER 6 2.917 6.554 -4.775 42 HA SER 6 HA SER 6 2.862 8.712 -2.982 43 HB2 SER 6 HB2 SER 6 5.036 6.608 -3.044 44 HB3 SER 6 HB3 SER 6 4.462 7.537 -1.653 45 HG SER 6 HG SER 6 3.504 5.492 -1.626 46 H GLY 7 H GLY 7 5.063 8.290 -5.656 47 HA2 GLY 7 HA2 GLY 7 7.017 10.287 -4.724 48 HA3 GLY 7 HA3 GLY 7 7.020 9.416 -6.255 49 H TYR 8 H TYR 8 3.938 10.635 -6.096 50 HA TYR 8 HA TYR 8 4.548 13.323 -7.023 51 HB2 TYR 8 HB2 TYR 8 4.592 11.498 -8.914 52 HB3 TYR 8 HB3 TYR 8 2.849 11.488 -8.726 53 HD1 TYR 8 HD1 TYR 8 5.501 14.204 -8.851 54 HD2 TYR 8 HD2 TYR 8 1.899 12.582 -10.590 55 HE1 TYR 8 HE1 TYR 8 5.404 16.113 -10.444 56 HE2 TYR 8 HE2 TYR 8 1.798 14.499 -12.170 57 HH TYR 8 HH TYR 8 2.782 16.449 -12.864 58 H LEU 9 H LEU 9 2.831 11.638 -4.977 59 HA LEU 9 HA LEU 9 0.157 12.179 -5.116 60 HB2 LEU 9 HB2 LEU 9 1.097 10.758 -3.429 61 HB3 LEU 9 HB3 LEU 9 2.086 12.063 -2.772 62 HG LEU 9 HG LEU 9 0.109 13.202 -1.893 63 HD11 LEU 9 HD11 LEU 9 -1.509 10.830 -2.910 64 HD12 LEU 9 HD12 LEU 9 -2.103 12.230 -1.958 65 HD13 LEU 9 HD13 LEU 9 -1.536 12.460 -3.606 66 HD21 LEU 9 HD21 LEU 9 0.172 10.250 -1.150 67 HD22 LEU 9 HD22 LEU 9 1.236 11.518 -0.498 68 HD23 LEU 9 HD23 LEU 9 -0.504 11.570 -0.166 69 H ASP 10 H ASP 10 2.613 14.440 -3.889 70 HA ASP 10 HA ASP 10 0.682 16.421 -3.095 71 HB2 ASP 10 HB2 ASP 10 2.614 17.776 -2.512 72 HB3 ASP 10 HB3 ASP 10 2.891 16.122 -1.996 73 H ASP 11 H ASP 11 1.091 15.538 -6.073 74 HA ASP 11 HA ASP 11 0.412 18.224 -7.191 75 HB2 ASP 11 HB2 ASP 11 2.571 17.390 -8.122 76 HB3 ASP 11 HB3 ASP 11 1.738 15.940 -8.688 77 H VAL 12 H VAL 12 -0.056 14.727 -7.441 78 HA VAL 12 HA VAL 12 -2.357 14.826 -9.066 79 HB VAL 12 HB VAL 12 -1.079 12.720 -7.265 80 HG11 VAL 12 HG11 VAL 12 -3.365 11.987 -7.415 81 HG12 VAL 12 HG12 VAL 12 -3.402 12.286 -9.177 82 HG13 VAL 12 HG13 VAL 12 -2.385 10.994 -8.498 83 HG21 VAL 12 HG21 VAL 12 -1.160 13.047 -10.295 84 HG22 VAL 12 HG22 VAL 12 0.174 13.566 -9.247 85 HG23 VAL 12 HG23 VAL 12 -0.224 11.841 -9.374 86 H SER 13 H SER 13 -2.048 14.406 -5.559 87 HA SER 13 HA SER 13 -4.927 14.448 -5.132 88 HB2 SER 13 HB2 SER 13 -3.519 13.175 -3.672 89 HB3 SER 13 HB3 SER 13 -2.573 14.637 -3.218 90 HG SER 13 HG SER 13 -4.211 14.079 -1.662 91 H ALA 14 H ALA 14 -2.140 16.637 -4.857 92 HA ALA 14 HA ALA 14 -3.544 18.580 -3.500 93 HB1 ALA 14 HB1 ALA 14 -1.119 18.448 -3.509 94 HB2 ALA 14 HB2 ALA 14 -1.090 19.030 -5.204 95 HB3 ALA 14 HB3 ALA 14 -1.692 20.081 -3.897 96 H LYS 15 H LYS 15 -3.414 18.034 -6.999 97 HA LYS 15 HA LYS 15 -4.463 20.397 -8.016 98 HB2 LYS 15 HB2 LYS 15 -4.996 19.250 -9.925 99 HB3 LYS 15 HB3 LYS 15 -3.755 18.212 -9.227 100 HG2 LYS 15 HG2 LYS 15 -5.668 16.809 -8.253 101 HG3 LYS 15 HG3 LYS 15 -6.768 17.733 -9.274 102 HD2 LYS 15 HD2 LYS 15 -4.362 16.157 -10.283 103 HD3 LYS 15 HD3 LYS 15 -6.028 15.556 -10.259 104 HE2 LYS 15 HE2 LYS 15 -6.732 17.410 -11.751 105 HE3 LYS 15 HE3 LYS 15 -5.073 18.021 -11.788 106 HZ1 LYS 15 HZ1 LYS 15 -4.388 15.936 -12.835 107 HZ2 LYS 15 HZ2 LYS 15 -5.914 15.351 -12.787 108 HZ3 LYS 15 HZ3 LYS 15 -5.560 16.638 -13.727 109 H PHE 16 H PHE 16 -6.211 17.790 -6.401 110 HA PHE 16 HA PHE 16 -8.758 19.084 -6.460 111 HB2 PHE 16 HB2 PHE 16 -9.091 16.856 -6.210 112 HB3 PHE 16 HB3 PHE 16 -7.613 16.594 -5.315 113 HD1 PHE 16 HD2 PHE 16 -7.484 17.015 -2.860 114 HD2 PHE 16 HD1 PHE 16 -11.204 17.053 -5.052 115 HE1 PHE 16 HE2 PHE 16 -8.744 16.776 -0.735 116 HE2 PHE 16 HE1 PHE 16 -12.454 16.788 -2.931 117 HZ PHE 16 HZ PHE 16 -11.224 16.662 -0.762 118 H ASP 17 H ASP 17 -6.170 18.757 -3.974 119 HA ASP 17 HA ASP 17 -7.608 20.012 -1.969 120 HB2 ASP 17 HB2 ASP 17 -5.498 18.617 -1.769 121 HB3 ASP 17 HB3 ASP 17 -4.582 20.053 -2.243 122 H THR 18 H THR 18 -5.898 21.654 -4.542 123 HA THR 18 HA THR 18 -6.395 24.242 -3.275 124 HB THR 18 HB THR 18 -4.212 23.665 -4.362 125 HG1 THR 18 HG1 THR 18 -3.992 25.767 -5.102 126 HG21 THR 18 HG21 THR 18 -3.982 24.002 -6.749 127 HG22 THR 18 HG22 THR 18 -5.177 22.717 -6.482 128 HG23 THR 18 HG23 THR 18 -5.718 24.356 -6.915 129 H GLY 19 H GLY 19 -7.657 22.279 -5.933 130 HA2 GLY 19 HA2 GLY 19 -9.339 24.308 -7.127 131 HA3 GLY 19 HA3 GLY 19 -9.520 22.560 -7.291 132 H VAL 20 H VAL 20 -9.929 21.780 -4.643 133 HA VAL 20 HA VAL 20 -12.588 22.475 -4.000 134 HB VAL 20 HB VAL 20 -11.008 20.496 -3.226 135 HG11 VAL 20 HG11 VAL 20 -10.200 20.451 -1.051 136 HG12 VAL 20 HG12 VAL 20 -9.392 21.711 -1.978 137 HG13 VAL 20 HG13 VAL 20 -10.631 22.157 -0.771 138 HG21 VAL 20 HG21 VAL 20 -12.649 19.960 -1.490 139 HG22 VAL 20 HG22 VAL 20 -12.992 21.699 -1.238 140 HG23 VAL 20 HG23 VAL 20 -13.523 20.908 -2.707 141 H ASP 21 H ASP 21 -9.562 23.760 -2.820 142 HA ASP 21 HA ASP 21 -10.790 25.496 -0.977 143 HB2 ASP 21 HB2 ASP 21 -8.626 24.789 -0.574 144 HB3 ASP 21 HB3 ASP 21 -8.075 25.260 -2.157 145 H ASN 22 H ASN 22 -10.358 25.938 -4.449 146 HA ASN 22 HA ASN 22 -10.963 28.737 -4.324 147 HB2 ASN 22 HB2 ASN 22 -11.641 26.638 -6.472 148 HB3 ASN 22 HB3 ASN 22 -11.831 28.362 -6.684 149 HD21 ASN 22 HD21 ASN 22 -10.122 26.473 -8.229 150 HD22 ASN 22 HD22 ASN 22 -8.507 27.160 -8.115 151 H LEU 23 H LEU 23 -12.903 25.816 -4.077 152 HA LEU 23 HA LEU 23 -15.386 27.288 -4.097 153 HB2 LEU 23 HB2 LEU 23 -14.750 24.623 -4.625 154 HB3 LEU 23 HB3 LEU 23 -15.529 24.547 -3.070 155 HG LEU 23 HG LEU 23 -17.115 24.362 -4.870 156 HD11 LEU 23 HD11 LEU 23 -17.715 25.812 -2.805 157 HD12 LEU 23 HD12 LEU 23 -17.539 27.201 -3.868 158 HD13 LEU 23 HD13 LEU 23 -18.750 25.952 -4.208 159 HD21 LEU 23 HD21 LEU 23 -16.332 25.387 -6.774 160 HD22 LEU 23 HD22 LEU 23 -17.937 26.050 -6.347 161 HD23 LEU 23 HD23 LEU 23 -16.456 27.013 -6.046 162 H GLN 24 H GLN 24 -13.360 25.702 -1.676 163 HA GLN 24 HA GLN 24 -14.802 26.296 0.606 164 HB2 GLN 24 HB2 GLN 24 -12.558 24.958 0.246 165 HB3 GLN 24 HB3 GLN 24 -11.802 26.543 0.577 166 HG2 GLN 24 HG2 GLN 24 -11.783 25.448 2.560 167 HG3 GLN 24 HG3 GLN 24 -13.113 26.641 2.691 168 HE21 GLN 24 HE22 GLN 24 -12.464 23.117 2.111 169 HE22 GLN 24 HE21 GLN 24 -14.049 22.608 2.673 170 H THR 25 H THR 25 -12.257 28.362 -0.939 171 HA THR 25 HA THR 25 -12.362 30.505 0.861 172 HB THR 25 HB THR 25 -10.688 30.004 -0.931 173 HG1 THR 25 HG1 THR 25 -10.485 31.886 0.205 174 HG21 THR 25 HG21 THR 25 -12.127 29.875 -2.849 175 HG22 THR 25 HG22 THR 25 -12.430 31.634 -2.780 176 HG23 THR 25 HG23 THR 25 -10.792 30.994 -3.069 177 H GLN 26 H GLN 26 -14.153 29.963 -2.102 178 HA GLN 26 HA GLN 26 -15.883 32.170 -1.992 179 HB2 GLN 26 HB2 GLN 26 -15.715 29.539 -3.399 180 HB3 GLN 26 HB3 GLN 26 -17.312 30.189 -3.294 181 HG2 GLN 26 HG2 GLN 26 -16.731 32.198 -4.436 182 HG3 GLN 26 HG3 GLN 26 -14.994 31.896 -4.231 183 HE21 GLN 26 HE22 GLN 26 -14.428 31.898 -6.477 184 HE22 GLN 26 HE21 GLN 26 -15.040 30.662 -7.566 185 H VAL 27 H VAL 27 -16.657 28.882 -0.648 186 HA VAL 27 HA VAL 27 -19.091 29.792 0.483 187 HB VAL 27 HB VAL 27 -19.351 27.876 1.588 188 HG11 VAL 27 HG11 VAL 27 -18.937 26.114 0.116 189 HG12 VAL 27 HG12 VAL 27 -18.717 27.448 -1.041 190 HG13 VAL 27 HG13 VAL 27 -17.321 26.641 -0.275 191 HG21 VAL 27 HG21 VAL 27 -17.771 26.193 2.273 192 HG22 VAL 27 HG22 VAL 27 -16.432 27.263 1.820 193 HG23 VAL 27 HG23 VAL 27 -17.559 27.722 3.114 194 H THR 28 H THR 28 -15.794 29.731 1.756 195 HA THR 28 HA THR 28 -16.440 30.533 4.381 196 HB THR 28 HB THR 28 -13.943 31.254 2.882 197 HG1 THR 28 HG1 THR 28 -14.196 29.009 2.898 198 HG21 THR 28 HG21 THR 28 -14.002 32.475 4.850 199 HG22 THR 28 HG22 THR 28 -14.729 31.130 5.775 200 HG23 THR 28 HG23 THR 28 -13.005 31.043 5.255 201 H GLU 29 H GLU 29 -16.021 32.395 1.359 202 HA GLU 29 HA GLU 29 -16.128 34.836 2.782 203 HB2 GLU 29 HB2 GLU 29 -16.333 34.224 -0.129 204 HB3 GLU 29 HB3 GLU 29 -16.475 35.836 0.555 205 HG2 GLU 29 HG2 GLU 29 -14.347 35.644 1.716 206 HG3 GLU 29 HG3 GLU 29 -14.046 34.088 1.007 207 H ALA 30 H ALA 30 -18.660 32.732 1.337 208 HA ALA 30 HA ALA 30 -20.896 34.482 1.789 209 HB1 ALA 30 HB1 ALA 30 -21.078 32.342 0.485 210 HB2 ALA 30 HB2 ALA 30 -20.691 31.425 1.950 211 HB3 ALA 30 HB3 ALA 30 -22.177 32.354 1.896 212 H LEU 31 H LEU 31 -19.216 32.095 3.765 213 HA LEU 31 HA LEU 31 -20.520 32.600 6.207 214 HB2 LEU 31 HB2 LEU 31 -19.156 30.600 5.619 215 HB3 LEU 31 HB3 LEU 31 -17.739 31.630 5.604 216 HG LEU 31 HG LEU 31 -18.394 32.219 8.086 217 HD11 LEU 31 HD11 LEU 31 -19.697 29.515 7.789 218 HD12 LEU 31 HD12 LEU 31 -19.642 30.594 9.224 219 HD13 LEU 31 HD13 LEU 31 -20.636 31.018 7.807 220 HD21 LEU 31 HD21 LEU 31 -17.081 30.390 8.820 221 HD22 LEU 31 HD22 LEU 31 -17.253 29.593 7.175 222 HD23 LEU 31 HD23 LEU 31 -16.409 31.152 7.367 223 H ASP 32 H ASP 32 -17.665 34.296 4.707 224 HA ASP 32 HA ASP 32 -17.024 35.887 6.905 225 HB2 ASP 32 HB2 ASP 32 -15.604 35.866 4.988 226 HB3 ASP 32 HB3 ASP 32 -16.845 36.504 3.928 227 H LYS 33 H LYS 33 -19.684 36.229 4.568 228 HA LYS 33 HA LYS 33 -20.832 38.556 5.727 229 HB2 LYS 33 HB2 LYS 33 -22.488 36.576 4.327 230 HB3 LYS 33 HB3 LYS 33 -22.545 38.353 4.401 231 HG2 LYS 33 HG2 LYS 33 -21.007 36.484 2.672 232 HG3 LYS 33 HG3 LYS 33 -22.062 37.785 2.199 233 HD2 LYS 33 HD2 LYS 33 -20.309 39.403 3.082 234 HD3 LYS 33 HD3 LYS 33 -19.197 38.004 3.222 235 HE2 LYS 33 HE2 LYS 33 -19.513 37.429 0.888 236 HE3 LYS 33 HE3 LYS 33 -20.579 38.831 0.662 237 HZ1 LYS 33 HZ1 LYS 33 -18.281 39.326 -0.013 238 HZ2 LYS 33 HZ2 LYS 33 -18.698 40.269 1.251 239 HZ3 LYS 33 HZ3 LYS 33 -17.722 38.981 1.485 240 H LEU 34 H LEU 34 -21.388 35.069 6.188 241 HA LEU 34 HA LEU 34 -23.513 35.408 7.994 242 HB2 LEU 34 HB2 LEU 34 -22.611 33.457 6.507 243 HB3 LEU 34 HB3 LEU 34 -22.032 32.839 8.075 244 HG LEU 34 HG LEU 34 -24.890 33.678 7.388 245 HD11 LEU 34 HD11 LEU 34 -23.659 30.954 7.528 246 HD12 LEU 34 HD12 LEU 34 -25.371 31.349 7.166 247 HD13 LEU 34 HD13 LEU 34 -24.096 31.881 6.060 248 HD21 LEU 34 HD21 LEU 34 -24.183 31.717 9.588 249 HD22 LEU 34 HD22 LEU 34 -24.427 33.429 9.849 250 HD23 LEU 34 HD23 LEU 34 -25.762 32.479 9.159 251 H ALA 35 H ALA 35 -20.098 35.412 8.489 252 HA ALA 35 HA ALA 35 -20.165 35.263 11.372 253 HB1 ALA 35 HB1 ALA 35 -17.771 35.633 11.138 254 HB2 ALA 35 HB2 ALA 35 -18.339 34.372 10.010 255 HB3 ALA 35 HB3 ALA 35 -17.976 36.008 9.408 256 H ALA 36 H ALA 36 -20.613 37.727 8.897 257 HA ALA 36 HA ALA 36 -20.219 40.092 10.530 258 HB1 ALA 36 HB1 ALA 36 -19.637 40.047 8.139 259 HB2 ALA 36 HB2 ALA 36 -21.340 39.846 7.692 260 HB3 ALA 36 HB3 ALA 36 -20.811 41.310 8.523 261 H LYS 37 H LYS 37 -23.130 38.717 8.986 262 HA LYS 37 HA LYS 37 -24.969 40.045 10.989 263 HB2 LYS 37 HB2 LYS 37 -24.634 41.168 8.583 264 HB3 LYS 37 HB3 LYS 37 -25.476 39.758 8.051 265 HG2 LYS 37 HG2 LYS 37 -27.406 40.465 9.590 266 HG3 LYS 37 HG3 LYS 37 -26.503 41.972 9.859 267 HD2 LYS 37 HD2 LYS 37 -26.472 42.380 7.394 268 HD3 LYS 37 HD3 LYS 37 -27.324 40.847 7.134 269 HE2 LYS 37 HE2 LYS 37 -29.147 41.746 8.688 270 HE3 LYS 37 HE3 LYS 37 -28.312 43.304 8.638 271 HZ1 LYS 37 HZ1 LYS 37 -29.493 41.847 6.329 272 HZ2 LYS 37 HZ2 LYS 37 -30.073 43.232 6.974 273 HZ3 LYS 37 HZ3 LYS 37 -28.644 43.253 6.176 274 HA PRO 38 HA PRO 38 -24.707 35.512 9.886 275 HB2 PRO 38 HB2 PRO 38 -25.913 34.760 12.489 276 HB3 PRO 38 HB3 PRO 38 -24.418 34.252 11.670 277 HG2 PRO 38 HG2 PRO 38 -24.815 36.424 13.616 278 HG3 PRO 38 HG3 PRO 38 -23.269 35.748 13.024 279 HD2 PRO 38 HD2 PRO 38 -24.264 38.267 12.386 280 HD3 PRO 38 HD3 PRO 38 -23.107 37.379 11.358 281 H SER 39 H SER 39 -27.856 35.508 11.608 282 HA SER 39 HA SER 39 -28.596 33.673 9.559 283 HB2 SER 39 HB2 SER 39 -30.595 33.295 10.781 284 HB3 SER 39 HB3 SER 39 -29.154 33.160 11.766 285 HG SER 39 HG SER 39 -30.813 34.375 12.846 286 H ASP 40 H ASP 40 -28.331 36.768 9.082 287 HA ASP 40 HA ASP 40 -30.657 37.721 7.782 288 HB2 ASP 40 HB2 ASP 40 -28.724 39.154 7.977 289 HB3 ASP 40 HB3 ASP 40 -27.735 38.064 7.077 290 HA PRO 41 HA PRO 41 -30.771 33.908 5.611 291 HB2 PRO 41 HB2 PRO 41 -33.157 34.100 4.239 292 HB3 PRO 41 HB3 PRO 41 -33.008 33.808 6.004 293 HG2 PRO 41 HG2 PRO 41 -33.436 36.446 4.509 294 HG3 PRO 41 HG3 PRO 41 -34.376 35.831 5.920 295 HD2 PRO 41 HD2 PRO 41 -32.350 37.603 6.218 296 HD3 PRO 41 HD3 PRO 41 -32.627 36.296 7.411 297 H ALA 42 H ALA 42 -30.891 36.911 3.761 298 HA ALA 42 HA ALA 42 -30.589 35.631 1.237 299 HB1 ALA 42 HB1 ALA 42 -30.163 37.934 0.464 300 HB2 ALA 42 HB2 ALA 42 -31.526 37.884 1.616 301 HB3 ALA 42 HB3 ALA 42 -29.935 38.467 2.151 302 H LEU 43 H LEU 43 -28.165 36.930 3.618 303 HA LEU 43 HA LEU 43 -25.940 35.918 1.998 304 HB2 LEU 43 HB2 LEU 43 -24.543 36.790 3.629 305 HB3 LEU 43 HB3 LEU 43 -25.826 37.975 3.425 306 HG LEU 43 HG LEU 43 -26.821 36.778 5.560 307 HD11 LEU 43 HD11 LEU 43 -24.935 34.965 5.563 308 HD12 LEU 43 HD12 LEU 43 -23.893 36.316 5.865 309 HD13 LEU 43 HD13 LEU 43 -25.187 35.926 7.041 310 HD21 LEU 43 HD21 LEU 43 -24.312 38.481 5.658 311 HD22 LEU 43 HD22 LEU 43 -26.019 39.025 5.828 312 HD23 LEU 43 HD23 LEU 43 -25.244 38.001 7.085 313 H LEU 44 H LEU 44 -27.679 34.771 4.949 314 HA LEU 44 HA LEU 44 -25.942 32.480 5.342 315 HB2 LEU 44 HB2 LEU 44 -27.025 32.811 7.257 316 HB3 LEU 44 HB3 LEU 44 -28.354 33.570 6.599 317 HG LEU 44 HG LEU 44 -29.131 31.793 7.810 318 HD11 LEU 44 HD11 LEU 44 -30.137 31.919 5.382 319 HD12 LEU 44 HD12 LEU 44 -29.307 30.362 5.165 320 HD13 LEU 44 HD13 LEU 44 -30.518 30.542 6.433 321 HD21 LEU 44 HD21 LEU 44 -27.267 30.475 8.099 322 HD22 LEU 44 HD22 LEU 44 -28.510 29.431 7.388 323 HD23 LEU 44 HD23 LEU 44 -27.194 30.013 6.334 324 H ALA 45 H ALA 45 -29.047 32.695 3.393 325 HA ALA 45 HA ALA 45 -28.577 29.958 2.793 326 HB1 ALA 45 HB1 ALA 45 -30.781 30.816 2.858 327 HB2 ALA 45 HB2 ALA 45 -30.471 31.923 1.471 328 HB3 ALA 45 HB3 ALA 45 -30.454 30.142 1.256 329 H ALA 46 H ALA 46 -27.252 32.881 1.367 330 HA ALA 46 HA ALA 46 -26.332 31.608 -1.025 331 HB1 ALA 46 HB1 ALA 46 -24.751 33.417 -1.186 332 HB2 ALA 46 HB2 ALA 46 -26.369 34.041 -0.812 333 HB3 ALA 46 HB3 ALA 46 -25.130 33.968 0.470 334 H TYR 47 H TYR 47 -25.063 31.873 2.343 335 HA TYR 47 HA TYR 47 -22.711 30.317 1.959 336 HB2 TYR 47 HB2 TYR 47 -23.366 31.609 4.106 337 HB3 TYR 47 HB3 TYR 47 -24.459 30.381 4.385 338 HD1 TYR 47 HD1 TYR 47 -20.956 29.738 3.189 339 HD2 TYR 47 HD2 TYR 47 -23.949 29.139 6.230 340 HE1 TYR 47 HE1 TYR 47 -19.508 28.075 4.287 341 HE2 TYR 47 HE2 TYR 47 -22.484 27.473 7.335 342 HH TYR 47 HH TYR 47 -19.272 26.586 6.017 343 H GLN 48 H GLN 48 -25.984 29.387 2.982 344 HA GLN 48 HA GLN 48 -25.604 26.652 3.080 345 HB2 GLN 48 HB2 GLN 48 -28.174 27.970 2.175 346 HB3 GLN 48 HB3 GLN 48 -27.966 26.363 2.814 347 HG2 GLN 48 HG2 GLN 48 -27.609 28.816 4.437 348 HG3 GLN 48 HG3 GLN 48 -28.965 27.798 4.450 349 HE21 GLN 48 HE22 GLN 48 -25.669 28.143 5.584 350 HE22 GLN 48 HE21 GLN 48 -25.663 26.684 6.565 351 H SER 49 H SER 49 -26.207 28.656 0.248 352 HA SER 49 HA SER 49 -26.488 26.507 -1.569 353 HB2 SER 49 HB2 SER 49 -27.396 28.812 -1.972 354 HB3 SER 49 HB3 SER 49 -25.758 29.477 -2.019 355 HG SER 49 HG SER 49 -26.654 29.050 -4.121 356 H LYS 50 H LYS 50 -23.709 28.715 -0.864 357 HA LYS 50 HA LYS 50 -21.991 27.292 -2.613 358 HB2 LYS 50 HB2 LYS 50 -21.421 29.331 -0.361 359 HB3 LYS 50 HB3 LYS 50 -20.186 28.696 -1.400 360 HG2 LYS 50 HG2 LYS 50 -22.516 30.247 -2.450 361 HG3 LYS 50 HG3 LYS 50 -20.857 30.839 -2.251 362 HD2 LYS 50 HD2 LYS 50 -21.570 28.494 -4.036 363 HD3 LYS 50 HD3 LYS 50 -21.501 30.178 -4.579 364 HE2 LYS 50 HE2 LYS 50 -19.104 30.030 -3.608 365 HE3 LYS 50 HE3 LYS 50 -19.359 28.265 -3.671 366 HZ1 LYS 50 HZ1 LYS 50 -18.331 29.179 -5.744 367 HZ2 LYS 50 HZ2 LYS 50 -19.775 28.463 -6.057 368 HZ3 LYS 50 HZ3 LYS 50 -19.648 30.089 -6.010 369 H LEU 51 H LEU 51 -22.617 26.808 0.707 370 HA LEU 51 HA LEU 51 -20.782 24.824 1.471 371 HB2 LEU 51 HB2 LEU 51 -22.308 25.986 2.924 372 HB3 LEU 51 HB3 LEU 51 -23.665 25.659 1.939 373 HG LEU 51 HG LEU 51 -22.357 23.528 3.645 374 HD11 LEU 51 HD11 LEU 51 -23.328 25.626 4.819 375 HD12 LEU 51 HD12 LEU 51 -24.892 25.130 4.151 376 HD13 LEU 51 HD13 LEU 51 -24.045 24.060 5.275 377 HD21 LEU 51 HD21 LEU 51 -23.816 22.534 1.911 378 HD22 LEU 51 HD22 LEU 51 -24.693 22.527 3.443 379 HD23 LEU 51 HD23 LEU 51 -25.066 23.760 2.224 380 H SER 52 H SER 52 -23.784 24.544 -0.467 381 HA SER 52 HA SER 52 -23.303 21.775 -1.030 382 HB2 SER 52 HB2 SER 52 -25.195 23.685 -2.407 383 HB3 SER 52 HB3 SER 52 -25.129 21.917 -2.563 384 HG SER 52 HG SER 52 -26.744 22.639 -1.043 385 H GLU 53 H GLU 53 -22.743 24.801 -2.936 386 HA GLU 53 HA GLU 53 -21.920 23.569 -5.338 387 HB2 GLU 53 HB2 GLU 53 -21.019 26.120 -4.071 388 HB3 GLU 53 HB3 GLU 53 -20.361 25.474 -5.570 389 HG2 GLU 53 HG2 GLU 53 -23.026 26.689 -5.215 390 HG3 GLU 53 HG3 GLU 53 -21.589 27.147 -6.183 391 H TYR 54 H TYR 54 -20.165 24.100 -2.311 392 HA TYR 54 HA TYR 54 -17.626 23.275 -3.302 393 HB2 TYR 54 HB2 TYR 54 -17.200 24.391 -1.401 394 HB3 TYR 54 HB3 TYR 54 -18.781 24.155 -0.803 395 HD1 TYR 54 HD1 TYR 54 -15.609 22.324 -1.461 396 HD2 TYR 54 HD2 TYR 54 -18.984 22.865 1.166 397 HE1 TYR 54 HE1 TYR 54 -14.629 20.739 0.099 398 HE2 TYR 54 HE2 TYR 54 -18.005 21.307 2.781 399 HH TYR 54 HH TYR 54 -16.169 19.980 3.307 400 H ASN 55 H ASN 55 -20.285 21.439 -1.750 401 HA ASN 55 HA ASN 55 -18.871 19.001 -2.062 402 HB2 ASN 55 HB2 ASN 55 -21.270 19.779 -0.780 403 HB3 ASN 55 HB3 ASN 55 -21.760 18.646 -2.034 404 HD21 ASN 55 HD22 ASN 55 -22.407 17.250 -0.199 405 HD22 ASN 55 HD21 ASN 55 -21.160 16.277 0.570 406 H LEU 56 H LEU 56 -20.949 20.890 -4.212 407 HA LEU 56 HA LEU 56 -21.210 18.982 -6.313 408 HB2 LEU 56 HB2 LEU 56 -22.570 21.113 -5.968 409 HB3 LEU 56 HB3 LEU 56 -21.154 22.015 -6.399 410 HG LEU 56 HG LEU 56 -21.668 20.140 -8.499 411 HD11 LEU 56 HD11 LEU 56 -23.802 21.008 -9.327 412 HD12 LEU 56 HD12 LEU 56 -24.015 20.194 -7.767 413 HD13 LEU 56 HD13 LEU 56 -23.999 21.972 -7.845 414 HD21 LEU 56 HD21 LEU 56 -21.802 23.171 -8.326 415 HD22 LEU 56 HD22 LEU 56 -20.362 22.198 -8.698 416 HD23 LEU 56 HD23 LEU 56 -21.723 22.221 -9.837 417 H TYR 57 H TYR 57 -18.716 21.490 -5.599 418 HA TYR 57 HA TYR 57 -17.040 21.084 -7.801 419 HB2 TYR 57 HB2 TYR 57 -16.373 22.841 -6.555 420 HB3 TYR 57 HB3 TYR 57 -16.589 22.030 -5.022 421 HD1 TYR 57 HD1 TYR 57 -14.287 22.489 -7.885 422 HD2 TYR 57 HD2 TYR 57 -15.041 20.323 -4.236 423 HE1 TYR 57 HE1 TYR 57 -12.039 21.407 -8.050 424 HE2 TYR 57 HE2 TYR 57 -12.868 19.168 -4.449 425 HH TYR 57 HH TYR 57 -10.902 19.086 -5.582 426 H ARG 58 H ARG 58 -17.337 19.310 -4.777 427 HA ARG 58 HA ARG 58 -15.482 17.226 -5.159 428 HB2 ARG 58 HB2 ARG 58 -17.452 18.120 -3.289 429 HB3 ARG 58 HB3 ARG 58 -17.955 16.504 -3.646 430 HG2 ARG 58 HG2 ARG 58 -16.729 16.302 -1.753 431 HG3 ARG 58 HG3 ARG 58 -15.490 15.872 -2.954 432 HD2 ARG 58 HD2 ARG 58 -14.527 18.117 -2.807 433 HD3 ARG 58 HD3 ARG 58 -15.883 18.709 -1.852 434 HE ARG 58 HE ARG 58 -13.561 17.324 -0.858 435 HH11 ARG 58 HH21 ARG 58 -16.999 17.707 -0.094 436 HH12 ARG 58 HH22 ARG 58 -16.693 17.521 1.602 437 HH21 ARG 58 HH12 ARG 58 -13.316 17.050 1.328 438 HH22 ARG 58 HH11 ARG 58 -14.699 17.155 2.372 439 H ASN 59 H ASN 59 -18.938 17.377 -5.919 440 HA ASN 59 HA ASN 59 -19.231 14.805 -7.014 441 HB2 ASN 59 HB2 ASN 59 -21.083 16.421 -6.288 442 HB3 ASN 59 HB3 ASN 59 -20.824 17.283 -7.796 443 HD21 ASN 59 HD22 ASN 59 -22.025 14.259 -6.395 444 HD22 ASN 59 HD21 ASN 59 -22.811 13.727 -7.874 445 H ALA 60 H ALA 60 -18.555 17.897 -8.580 446 HA ALA 60 HA ALA 60 -18.312 17.041 -11.252 447 HB1 ALA 60 HB1 ALA 60 -18.684 19.380 -10.463 448 HB2 ALA 60 HB2 ALA 60 -17.048 19.408 -9.794 449 HB3 ALA 60 HB3 ALA 60 -17.273 19.255 -11.550 450 H GLN 61 H GLN 61 -15.876 17.336 -8.636 451 HA GLN 61 HA GLN 61 -13.815 16.065 -10.127 452 HB2 GLN 61 HB2 GLN 61 -13.603 17.710 -8.231 453 HB3 GLN 61 HB3 GLN 61 -13.807 16.295 -7.175 454 HG2 GLN 61 HG2 GLN 61 -11.451 16.309 -7.427 455 HG3 GLN 61 HG3 GLN 61 -11.904 15.245 -8.768 456 HE21 GLN 61 HE22 GLN 61 -11.236 18.787 -8.118 457 HE22 GLN 61 HE21 GLN 61 -10.499 19.002 -9.700 458 H SER 62 H SER 62 -16.357 14.703 -9.745 459 HA SER 62 HA SER 62 -15.247 12.021 -9.725 460 HB2 SER 62 HB2 SER 62 -16.409 12.604 -7.479 461 HB3 SER 62 HB3 SER 62 -17.910 12.615 -8.411 462 HG SER 62 HG SER 62 -17.396 10.545 -7.406 463 H ASN 63 H ASN 63 -16.222 14.187 -11.585 464 HA ASN 63 HA ASN 63 -17.783 12.488 -13.369 465 HB2 ASN 63 HB2 ASN 63 -18.802 14.662 -12.117 466 HB3 ASN 63 HB3 ASN 63 -18.008 15.523 -13.404 467 HD21 ASN 63 HD22 ASN 63 -20.977 14.684 -12.661 468 HD22 ASN 63 HD21 ASN 63 -21.591 14.245 -14.249 469 H THR 64 H THR 64 -15.703 15.332 -13.200 470 HA THR 64 HA THR 64 -14.474 15.364 -15.655 471 HB THR 64 HB THR 64 -14.300 16.937 -13.843 472 HG1 THR 64 HG1 THR 64 -12.181 17.525 -14.192 473 HG21 THR 64 HG21 THR 64 -12.170 15.259 -12.545 474 HG22 THR 64 HG22 THR 64 -13.014 16.715 -11.960 475 HG23 THR 64 HG23 THR 64 -13.891 15.168 -12.072 476 H VAL 65 H VAL 65 -13.583 13.487 -12.921 477 HA VAL 65 HA VAL 65 -11.485 11.865 -13.601 478 HB VAL 65 HB VAL 65 -13.993 10.932 -12.116 479 HG11 VAL 65 HG11 VAL 65 -12.350 9.952 -10.544 480 HG12 VAL 65 HG12 VAL 65 -11.927 9.414 -12.181 481 HG13 VAL 65 HG13 VAL 65 -11.021 10.745 -11.408 482 HG21 VAL 65 HG21 VAL 65 -12.124 13.069 -11.152 483 HG22 VAL 65 HG22 VAL 65 -13.913 13.050 -11.300 484 HG23 VAL 65 HG23 VAL 65 -13.127 12.058 -10.082 485 H LYS 66 H LYS 66 -14.722 11.655 -14.788 486 HA LYS 66 HA LYS 66 -14.373 9.127 -16.228 487 HB2 LYS 66 HB2 LYS 66 -16.697 10.525 -14.878 488 HB3 LYS 66 HB3 LYS 66 -16.936 9.109 -15.901 489 HG2 LYS 66 HG2 LYS 66 -15.930 7.643 -14.338 490 HG3 LYS 66 HG3 LYS 66 -15.022 8.940 -13.549 491 HD2 LYS 66 HD2 LYS 66 -17.195 9.949 -12.815 492 HD3 LYS 66 HD3 LYS 66 -18.020 8.477 -13.357 493 HE2 LYS 66 HE2 LYS 66 -16.746 7.137 -11.748 494 HE3 LYS 66 HE3 LYS 66 -15.713 8.519 -11.357 495 HZ1 LYS 66 HZ1 LYS 66 -17.397 8.294 -9.664 496 HZ2 LYS 66 HZ2 LYS 66 -17.701 9.667 -10.493 497 HZ3 LYS 66 HZ3 LYS 66 -18.613 8.334 -10.758 498 H VAL 67 H VAL 67 -14.171 12.254 -16.758 499 HA VAL 67 HA VAL 67 -15.288 12.312 -19.455 500 HB VAL 67 HB VAL 67 -14.615 14.308 -17.337 501 HG11 VAL 67 HG11 VAL 67 -14.980 16.181 -18.833 502 HG12 VAL 67 HG12 VAL 67 -13.474 15.307 -19.127 503 HG13 VAL 67 HG13 VAL 67 -14.856 15.044 -20.235 504 HG21 VAL 67 HG21 VAL 67 -16.850 14.979 -17.605 505 HG22 VAL 67 HG22 VAL 67 -17.004 14.020 -19.133 506 HG23 VAL 67 HG23 VAL 67 -16.806 13.197 -17.577 507 H PHE 68 H PHE 68 -12.332 12.732 -17.523 508 HA PHE 68 HA PHE 68 -10.466 13.185 -19.549 509 HB2 PHE 68 HB2 PHE 68 -10.448 11.420 -17.075 510 HB3 PHE 68 HB3 PHE 68 -8.976 11.820 -17.980 511 HD1 PHE 68 HD1 PHE 68 -10.584 14.899 -18.080 512 HD2 PHE 68 HD2 PHE 68 -8.914 12.144 -15.201 513 HE1 PHE 68 HE1 PHE 68 -10.378 16.729 -16.429 514 HE2 PHE 68 HE2 PHE 68 -8.661 14.004 -13.577 515 HZ PHE 68 HZ PHE 68 -9.387 16.303 -14.198 516 H LYS 69 H LYS 69 -12.128 10.300 -18.526 517 HA LYS 69 HA LYS 69 -11.323 8.245 -20.227 518 HB2 LYS 69 HB2 LYS 69 -12.777 7.996 -18.246 519 HB3 LYS 69 HB3 LYS 69 -13.934 9.113 -18.907 520 HG2 LYS 69 HG2 LYS 69 -13.488 6.657 -20.544 521 HG3 LYS 69 HG3 LYS 69 -14.255 6.435 -18.972 522 HD2 LYS 69 HD2 LYS 69 -16.068 7.926 -19.480 523 HD3 LYS 69 HD3 LYS 69 -15.294 8.525 -20.942 524 HE2 LYS 69 HE2 LYS 69 -15.374 6.253 -21.942 525 HE3 LYS 69 HE3 LYS 69 -16.170 5.639 -20.488 526 HZ1 LYS 69 HZ1 LYS 69 -17.297 7.719 -22.294 527 HZ2 LYS 69 HZ2 LYS 69 -17.791 6.166 -22.218 528 HZ3 LYS 69 HZ3 LYS 69 -18.030 7.156 -20.944 529 H ASP 70 H ASP 70 -13.515 10.944 -20.941 530 HA ASP 70 HA ASP 70 -14.305 9.919 -23.513 531 HB2 ASP 70 HB2 ASP 70 -15.775 11.311 -21.953 532 HB3 ASP 70 HB3 ASP 70 -14.799 12.685 -22.486 533 H ILE 71 H ILE 71 -11.990 12.306 -22.315 534 HA ILE 71 HA ILE 71 -11.135 13.110 -24.893 535 HB ILE 71 HB ILE 71 -9.741 13.063 -22.181 536 HG12 ILE 71 HG12 ILE 71 -9.568 15.547 -22.613 537 HG13 ILE 71 HG13 ILE 71 -10.563 15.322 -24.060 538 HG21 ILE 71 HG21 ILE 71 -7.775 14.231 -23.159 539 HG22 ILE 71 HG22 ILE 71 -7.906 12.545 -23.640 540 HG23 ILE 71 HG23 ILE 71 -8.381 13.832 -24.784 541 HD11 ILE 71 HD11 ILE 71 -12.420 14.535 -22.691 542 HD12 ILE 71 HD12 ILE 71 -11.360 14.452 -21.261 543 HD13 ILE 71 HD13 ILE 71 -11.807 16.032 -21.960 544 H ASP 72 H ASP 72 -10.116 10.515 -22.734 545 HA ASP 72 HA ASP 72 -8.268 9.326 -24.468 546 HB2 ASP 72 HB2 ASP 72 -8.339 9.099 -22.084 547 HB3 ASP 72 HB3 ASP 72 -9.931 8.401 -22.141 548 H ALA 73 H ALA 73 -11.772 8.711 -24.193 549 HA ALA 73 HA ALA 73 -11.914 6.702 -26.178 550 HB1 ALA 73 HB1 ALA 73 -13.946 8.888 -25.477 551 HB2 ALA 73 HB2 ALA 73 -14.292 7.384 -26.353 552 HB3 ALA 73 HB3 ALA 73 -13.782 7.324 -24.654 553 H ALA 74 H ALA 74 -11.672 10.277 -26.516 554 HA ALA 74 HA ALA 74 -11.821 10.260 -29.374 555 HB1 ALA 74 HB1 ALA 74 -12.283 12.240 -27.850 556 HB2 ALA 74 HB2 ALA 74 -10.533 12.345 -27.575 557 HB3 ALA 74 HB3 ALA 74 -11.176 12.576 -29.203 558 H ILE 75 H ILE 75 -9.098 9.917 -27.079 559 HA ILE 75 HA ILE 75 -7.029 9.903 -29.015 560 HB ILE 75 HB ILE 75 -7.117 8.392 -26.377 561 HG12 ILE 75 HG12 ILE 75 -5.691 10.976 -27.105 562 HG13 ILE 75 HG13 ILE 75 -7.250 10.933 -26.368 563 HG21 ILE 75 HG21 ILE 75 -4.650 8.230 -26.581 564 HG22 ILE 75 HG22 ILE 75 -5.457 7.326 -27.848 565 HG23 ILE 75 HG23 ILE 75 -4.744 8.913 -28.219 566 HD11 ILE 75 HD11 ILE 75 -5.649 11.334 -24.635 567 HD12 ILE 75 HD12 ILE 75 -6.157 9.648 -24.414 568 HD13 ILE 75 HD13 ILE 75 -4.601 10.020 -25.182 569 H LEU 76 H LEU 76 -9.051 7.266 -27.719 570 HA LEU 76 HA LEU 76 -8.287 5.089 -29.383 571 HB2 LEU 76 HB2 LEU 76 -10.629 5.931 -27.731 572 HB3 LEU 76 HB3 LEU 76 -10.996 4.766 -28.979 573 HG LEU 76 HG LEU 76 -9.494 3.175 -28.061 574 HD11 LEU 76 HD11 LEU 76 -8.724 5.171 -25.902 575 HD12 LEU 76 HD12 LEU 76 -8.232 3.470 -25.983 576 HD13 LEU 76 HD13 LEU 76 -7.656 4.607 -27.205 577 HD21 LEU 76 HD21 LEU 76 -11.747 3.340 -27.090 578 HD22 LEU 76 HD22 LEU 76 -10.566 2.739 -25.914 579 HD23 LEU 76 HD23 LEU 76 -11.120 4.425 -25.827 580 H GLU 77 H GLU 77 -10.782 7.610 -29.981 581 HA GLU 77 HA GLU 77 -11.480 6.871 -32.589 582 HB2 GLU 77 HB2 GLU 77 -12.581 8.515 -30.959 583 HB3 GLU 77 HB3 GLU 77 -11.410 9.715 -31.523 584 HG2 GLU 77 HG2 GLU 77 -12.261 9.425 -33.827 585 HG3 GLU 77 HG3 GLU 77 -13.444 8.258 -33.204 586 H HIS 78 H HIS 78 -8.803 8.948 -31.484 587 HA HIS 78 HA HIS 78 -7.938 9.906 -34.029 588 HB2 HIS 78 HB2 HIS 78 -7.406 10.793 -31.641 589 HB3 HIS 78 HB3 HIS 78 -6.208 9.520 -31.555 590 HD1 HIS 78 HD1 HIS 78 -3.892 10.030 -32.712 591 HD2 HIS 78 HD2 HIS 78 -7.017 12.676 -33.694 592 HE1 HIS 78 HE1 HIS 78 -2.830 11.921 -34.052 593 H HIS 79 H HIS 79 -7.032 7.030 -32.144 594 HA HIS 79 HA HIS 79 -4.781 6.192 -33.665 595 HB2 HIS 79 HB2 HIS 79 -5.522 5.439 -31.359 596 HB3 HIS 79 HB3 HIS 79 -6.752 4.446 -32.137 597 HD1 HIS 79 HD1 HIS 79 -5.772 2.263 -33.546 598 HD2 HIS 79 HD2 HIS 79 -2.988 4.618 -31.429 599 HE1 HIS 79 HE1 HIS 79 -3.631 0.894 -33.412 600 H HIS 80 H HIS 80 -4.559 4.437 -35.175 601 HA HIS 80 HA HIS 80 -6.376 4.271 -37.357 602 HB2 HIS 80 HB2 HIS 80 -4.019 3.668 -37.542 603 HB3 HIS 80 HB3 HIS 80 -4.223 2.353 -36.381 604 HD1 HIS 80 HD1 HIS 80 -5.189 0.064 -37.343 605 HD2 HIS 80 HD2 HIS 80 -5.239 3.316 -40.017 606 HE1 HIS 80 HE1 HIS 80 -5.855 -0.889 -39.612 607 H HIS 81 H HIS 81 -8.131 3.082 -37.750 608 HA HIS 81 HA HIS 81 -8.751 0.600 -36.356 609 HB2 HIS 81 HB2 HIS 81 -10.906 1.296 -35.435 610 HB3 HIS 81 HB3 HIS 81 -9.580 2.159 -34.678 611 HD1 HIS 81 HD1 HIS 81 -9.313 4.850 -35.500 612 HD2 HIS 81 HD2 HIS 81 -12.845 2.751 -36.437 613 HE1 HIS 81 HE1 HIS 81 -11.034 6.604 -36.168 614 H HIS 82 H HIS 82 -10.197 3.163 -38.424 615 HA HIS 82 HA HIS 82 -10.946 1.065 -40.440 616 HB2 HIS 82 HB2 HIS 82 -12.558 3.496 -39.563 617 HB3 HIS 82 HB3 HIS 82 -12.964 2.447 -40.913 618 HD1 HIS 82 HD1 HIS 82 -12.117 -0.145 -38.674 619 HD2 HIS 82 HD2 HIS 82 -15.123 2.797 -38.748 620 HE1 HIS 82 HE1 HIS 82 -14.044 -1.058 -37.270 621 H HIS 83 H HIS 83 -9.378 4.092 -39.894 622 HA HIS 83 HA HIS 83 -8.969 4.592 -42.796 623 HB2 HIS 83 HB2 HIS 83 -9.809 6.644 -40.699 624 HB3 HIS 83 HB3 HIS 83 -9.217 7.035 -42.305 625 HD1 HIS 83 HD1 HIS 83 -11.370 4.341 -43.187 626 HD2 HIS 83 HD2 HIS 83 -11.945 8.217 -41.674 627 HE1 HIS 83 HE1 HIS 83 -13.744 5.021 -43.855 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -17.127 -2.061 5.839 2 H2 MET 1 H2 MET 1 -18.528 -1.854 6.672 3 H3 MET 1 H3 MET 1 -18.130 -0.834 5.453 4 HA MET 1 HA MET 1 -17.775 0.256 7.523 5 HB2 MET 1 HB2 MET 1 -16.209 -0.543 9.180 6 HB3 MET 1 HB3 MET 1 -17.455 -1.734 8.891 7 HG2 MET 1 HG2 MET 1 -15.476 -2.939 9.156 8 HG3 MET 1 HG3 MET 1 -15.817 -3.012 7.436 9 HE1 MET 1 HE1 MET 1 -11.894 -3.186 7.658 10 HE2 MET 1 HE2 MET 1 -13.068 -3.877 8.799 11 HE3 MET 1 HE3 MET 1 -13.369 -3.967 7.047 12 H ALA 2 H ALA 2 -15.573 1.379 8.172 13 HA ALA 2 HA ALA 2 -13.576 1.473 5.972 14 HB1 ALA 2 HB1 ALA 2 -15.086 3.951 7.022 15 HB2 ALA 2 HB2 ALA 2 -13.788 3.969 5.846 16 HB3 ALA 2 HB3 ALA 2 -15.358 3.246 5.396 17 H THR 3 H THR 3 -11.789 2.558 6.347 18 HA THR 3 HA THR 3 -10.841 2.694 9.117 19 HB THR 3 HB THR 3 -8.820 3.573 7.961 20 HG1 THR 3 HG1 THR 3 -8.665 3.121 5.720 21 HG21 THR 3 HG21 THR 3 -9.989 0.845 7.170 22 HG22 THR 3 HG22 THR 3 -8.234 1.221 7.153 23 HG23 THR 3 HG23 THR 3 -9.129 1.222 8.692 24 HA PRO 4 HA PRO 4 -12.049 6.620 9.677 25 HB2 PRO 4 HB2 PRO 4 -9.582 7.351 11.188 26 HB3 PRO 4 HB3 PRO 4 -11.307 7.328 11.713 27 HG2 PRO 4 HG2 PRO 4 -9.506 5.343 12.468 28 HG3 PRO 4 HG3 PRO 4 -11.243 5.012 12.144 29 HD2 PRO 4 HD2 PRO 4 -8.933 4.446 10.346 30 HD3 PRO 4 HD3 PRO 4 -10.408 3.551 10.753 31 H TRP 5 H TRP 5 -12.169 8.486 8.561 32 HA TRP 5 HA TRP 5 -10.489 9.067 6.372 33 HB2 TRP 5 HB2 TRP 5 -11.781 11.156 6.216 34 HB3 TRP 5 HB3 TRP 5 -12.793 9.740 6.440 35 HD1 TRP 5 HD1 TRP 5 -11.796 12.990 8.109 36 HE1 TRP 5 HE1 TRP 5 -13.275 13.439 10.159 37 HE3 TRP 5 HE3 TRP 5 -14.278 8.500 8.329 38 HZ2 TRP 5 HZ2 TRP 5 -15.223 12.014 11.738 39 HZ3 TRP 5 HZ3 TRP 5 -15.917 8.069 10.142 40 HH2 TRP 5 HH2 TRP 5 -16.397 9.810 11.848 41 H SER 6 H SER 6 -10.287 10.289 9.676 42 HA SER 6 HA SER 6 -8.390 12.381 9.289 43 HB2 SER 6 HB2 SER 6 -7.949 12.052 11.717 44 HB3 SER 6 HB3 SER 6 -9.670 12.188 11.313 45 HG SER 6 HG SER 6 -9.232 10.449 12.771 46 H GLY 7 H GLY 7 -7.919 8.911 9.216 47 HA2 GLY 7 HA2 GLY 7 -4.982 9.061 9.565 48 HA3 GLY 7 HA3 GLY 7 -5.971 7.619 9.324 49 H TYR 8 H TYR 8 -7.100 9.544 6.971 50 HA TYR 8 HA TYR 8 -5.083 8.921 4.935 51 HB2 TYR 8 HB2 TYR 8 -8.026 8.191 5.001 52 HB3 TYR 8 HB3 TYR 8 -7.107 8.201 3.506 53 HD1 TYR 8 HD2 TYR 8 -5.320 6.590 3.051 54 HD2 TYR 8 HD1 TYR 8 -7.604 6.424 6.708 55 HE1 TYR 8 HE2 TYR 8 -4.425 4.308 3.511 56 HE2 TYR 8 HE1 TYR 8 -6.672 4.164 7.186 57 HH TYR 8 HH TYR 8 -5.302 2.474 6.463 58 H LEU 9 H LEU 9 -6.492 11.365 6.358 59 HA LEU 9 HA LEU 9 -7.917 12.882 4.572 60 HB2 LEU 9 HB2 LEU 9 -7.733 13.400 6.925 61 HB3 LEU 9 HB3 LEU 9 -6.000 13.704 6.787 62 HG LEU 9 HG LEU 9 -6.386 15.723 5.485 63 HD11 LEU 9 HD11 LEU 9 -9.362 15.114 5.741 64 HD12 LEU 9 HD12 LEU 9 -8.623 16.591 5.035 65 HD13 LEU 9 HD13 LEU 9 -8.405 15.033 4.251 66 HD21 LEU 9 HD21 LEU 9 -7.511 17.088 7.185 67 HD22 LEU 9 HD22 LEU 9 -8.205 15.629 7.927 68 HD23 LEU 9 HD23 LEU 9 -6.445 15.894 7.946 69 H ASP 10 H ASP 10 -4.372 12.789 4.816 70 HA ASP 10 HA ASP 10 -3.987 14.860 2.853 71 HB2 ASP 10 HB2 ASP 10 -1.618 14.370 3.087 72 HB3 ASP 10 HB3 ASP 10 -2.360 14.341 4.678 73 H ASP 11 H ASP 11 -5.330 12.036 2.249 74 HA ASP 11 HA ASP 11 -4.392 11.985 -0.593 75 HB2 ASP 11 HB2 ASP 11 -3.912 9.829 0.543 76 HB3 ASP 11 HB3 ASP 11 -5.620 9.683 0.960 77 H VAL 12 H VAL 12 -7.144 11.412 1.554 78 HA VAL 12 HA VAL 12 -9.157 11.513 -0.404 79 HB VAL 12 HB VAL 12 -9.054 11.840 2.628 80 HG11 VAL 12 HG11 VAL 12 -11.094 12.960 2.052 81 HG12 VAL 12 HG12 VAL 12 -11.573 11.634 0.953 82 HG13 VAL 12 HG13 VAL 12 -11.486 11.364 2.712 83 HG21 VAL 12 HG21 VAL 12 -9.966 9.540 0.849 84 HG22 VAL 12 HG22 VAL 12 -8.374 9.665 1.621 85 HG23 VAL 12 HG23 VAL 12 -9.830 9.520 2.627 86 H SER 13 H SER 13 -7.906 14.091 1.663 87 HA SER 13 HA SER 13 -9.718 16.058 0.480 88 HB2 SER 13 HB2 SER 13 -9.158 16.293 2.781 89 HB3 SER 13 HB3 SER 13 -7.392 16.346 2.418 90 HG SER 13 HG SER 13 -8.332 18.451 2.724 91 H ALA 14 H ALA 14 -6.272 15.180 0.436 92 HA ALA 14 HA ALA 14 -5.408 17.378 -0.915 93 HB1 ALA 14 HB1 ALA 14 -4.184 14.609 -1.035 94 HB2 ALA 14 HB2 ALA 14 -3.348 16.133 -1.407 95 HB3 ALA 14 HB3 ALA 14 -3.933 15.838 0.240 96 H LYS 15 H LYS 15 -6.635 14.393 -2.256 97 HA LYS 15 HA LYS 15 -6.401 14.547 -5.023 98 HB2 LYS 15 HB2 LYS 15 -6.971 12.662 -3.718 99 HB3 LYS 15 HB3 LYS 15 -8.421 13.417 -3.062 100 HG2 LYS 15 HG2 LYS 15 -9.654 13.060 -4.993 101 HG3 LYS 15 HG3 LYS 15 -8.221 12.684 -5.992 102 HD2 LYS 15 HD2 LYS 15 -9.079 11.051 -3.558 103 HD3 LYS 15 HD3 LYS 15 -9.648 10.685 -5.191 104 HE2 LYS 15 HE2 LYS 15 -7.525 10.068 -5.973 105 HE3 LYS 15 HE3 LYS 15 -6.670 10.925 -4.692 106 HZ1 LYS 15 HZ1 LYS 15 -6.709 8.477 -4.410 107 HZ2 LYS 15 HZ2 LYS 15 -7.276 9.267 -3.114 108 HZ3 LYS 15 HZ3 LYS 15 -8.322 8.524 -4.154 109 H PHE 16 H PHE 16 -8.165 16.742 -3.130 110 HA PHE 16 HA PHE 16 -9.588 17.836 -5.458 111 HB2 PHE 16 HB2 PHE 16 -10.545 17.719 -2.574 112 HB3 PHE 16 HB3 PHE 16 -11.413 18.453 -3.890 113 HD1 PHE 16 HD2 PHE 16 -10.149 15.176 -2.601 114 HD2 PHE 16 HD1 PHE 16 -13.062 17.192 -5.037 115 HE1 PHE 16 HE2 PHE 16 -11.443 13.067 -2.793 116 HE2 PHE 16 HE1 PHE 16 -14.351 15.078 -5.243 117 HZ PHE 16 HZ PHE 16 -13.547 13.016 -4.123 118 H ASP 17 H ASP 17 -7.615 18.443 -2.676 119 HA ASP 17 HA ASP 17 -8.065 20.597 -1.435 120 HB2 ASP 17 HB2 ASP 17 -6.075 19.351 -1.146 121 HB3 ASP 17 HB3 ASP 17 -5.381 19.964 -2.649 122 H THR 18 H THR 18 -6.149 21.318 -4.360 123 HA THR 18 HA THR 18 -6.479 24.090 -3.818 124 HB THR 18 HB THR 18 -4.537 22.966 -4.976 125 HG1 THR 18 HG1 THR 18 -4.049 24.874 -6.045 126 HG21 THR 18 HG21 THR 18 -4.541 22.913 -7.398 127 HG22 THR 18 HG22 THR 18 -5.916 21.943 -6.816 128 HG23 THR 18 HG23 THR 18 -6.192 23.583 -7.448 129 H GLY 19 H GLY 19 -8.303 21.964 -5.919 130 HA2 GLY 19 HA2 GLY 19 -9.757 24.128 -7.309 131 HA3 GLY 19 HA3 GLY 19 -10.070 22.399 -7.428 132 H VAL 20 H VAL 20 -10.386 21.716 -4.714 133 HA VAL 20 HA VAL 20 -12.972 22.602 -4.022 134 HB VAL 20 HB VAL 20 -11.235 20.696 -2.967 135 HG11 VAL 20 HG11 VAL 20 -10.301 22.396 -1.325 136 HG12 VAL 20 HG12 VAL 20 -11.936 22.568 -0.674 137 HG13 VAL 20 HG13 VAL 20 -11.099 21.003 -0.584 138 HG21 VAL 20 HG21 VAL 20 -13.209 20.229 -1.410 139 HG22 VAL 20 HG22 VAL 20 -13.957 21.692 -2.111 140 HG23 VAL 20 HG23 VAL 20 -13.575 20.312 -3.126 141 H ASP 21 H ASP 21 -9.828 23.857 -3.049 142 HA ASP 21 HA ASP 21 -10.879 25.721 -1.287 143 HB2 ASP 21 HB2 ASP 21 -8.667 25.073 -1.023 144 HB3 ASP 21 HB3 ASP 21 -8.293 25.363 -2.698 145 H ASN 22 H ASN 22 -10.621 26.073 -4.806 146 HA ASN 22 HA ASN 22 -11.199 28.882 -4.739 147 HB2 ASN 22 HB2 ASN 22 -11.879 26.692 -6.796 148 HB3 ASN 22 HB3 ASN 22 -12.077 28.417 -7.087 149 HD21 ASN 22 HD22 ASN 22 -10.309 26.316 -8.418 150 HD22 ASN 22 HD21 ASN 22 -8.711 27.047 -8.367 151 H LEU 23 H LEU 23 -13.153 26.021 -4.323 152 HA LEU 23 HA LEU 23 -15.606 27.536 -4.392 153 HB2 LEU 23 HB2 LEU 23 -15.026 24.935 -5.055 154 HB3 LEU 23 HB3 LEU 23 -15.770 24.767 -3.482 155 HG LEU 23 HG LEU 23 -17.412 24.664 -5.243 156 HD11 LEU 23 HD11 LEU 23 -17.988 26.064 -3.136 157 HD12 LEU 23 HD12 LEU 23 -17.832 27.474 -4.187 158 HD13 LEU 23 HD13 LEU 23 -18.999 26.190 -4.553 159 HD21 LEU 23 HD21 LEU 23 -16.725 27.335 -6.351 160 HD22 LEU 23 HD22 LEU 23 -16.709 25.728 -7.136 161 HD23 LEU 23 HD23 LEU 23 -18.262 26.457 -6.616 162 H GLN 24 H GLN 24 -13.587 25.951 -1.984 163 HA GLN 24 HA GLN 24 -14.967 26.485 0.372 164 HB2 GLN 24 HB2 GLN 24 -12.776 25.112 -0.092 165 HB3 GLN 24 HB3 GLN 24 -11.976 26.687 0.160 166 HG2 GLN 24 HG2 GLN 24 -11.774 25.579 2.125 167 HG3 GLN 24 HG3 GLN 24 -13.019 26.815 2.396 168 HE21 GLN 24 HE22 GLN 24 -12.306 23.417 2.644 169 HE22 GLN 24 HE21 GLN 24 -13.943 22.921 3.055 170 H THR 25 H THR 25 -12.472 28.515 -1.284 171 HA THR 25 HA THR 25 -12.447 30.658 0.507 172 HB THR 25 HB THR 25 -10.892 30.167 -1.382 173 HG1 THR 25 HG1 THR 25 -10.648 32.073 -0.298 174 HG21 THR 25 HG21 THR 25 -12.764 31.746 -3.150 175 HG22 THR 25 HG22 THR 25 -11.155 31.088 -3.537 176 HG23 THR 25 HG23 THR 25 -12.477 29.986 -3.200 177 H GLN 26 H GLN 26 -14.442 30.116 -2.321 178 HA GLN 26 HA GLN 26 -16.181 32.313 -2.066 179 HB2 GLN 26 HB2 GLN 26 -15.989 29.819 -3.624 180 HB3 GLN 26 HB3 GLN 26 -17.639 30.104 -3.154 181 HG2 GLN 26 HG2 GLN 26 -17.656 32.302 -4.165 182 HG3 GLN 26 HG3 GLN 26 -15.907 32.223 -4.483 183 HE21 GLN 26 HE22 GLN 26 -15.275 30.073 -5.848 184 HE22 GLN 26 HE21 GLN 26 -16.342 29.847 -7.231 185 H VAL 27 H VAL 27 -16.830 28.983 -0.745 186 HA VAL 27 HA VAL 27 -19.214 29.803 0.471 187 HB VAL 27 HB VAL 27 -19.387 27.900 1.610 188 HG11 VAL 27 HG11 VAL 27 -18.729 27.505 -0.942 189 HG12 VAL 27 HG12 VAL 27 -17.316 26.716 -0.226 190 HG13 VAL 27 HG13 VAL 27 -18.922 26.129 0.178 191 HG21 VAL 27 HG21 VAL 27 -17.722 26.300 2.354 192 HG22 VAL 27 HG22 VAL 27 -16.442 27.450 1.926 193 HG23 VAL 27 HG23 VAL 27 -17.641 27.849 3.182 194 H THR 28 H THR 28 -15.873 29.869 1.624 195 HA THR 28 HA THR 28 -16.401 30.645 4.283 196 HB THR 28 HB THR 28 -13.956 31.354 2.690 197 HG1 THR 28 HG1 THR 28 -14.231 29.115 2.663 198 HG21 THR 28 HG21 THR 28 -13.904 32.527 4.681 199 HG22 THR 28 HG22 THR 28 -14.621 31.177 5.611 200 HG23 THR 28 HG23 THR 28 -12.922 31.068 5.016 201 H GLU 29 H GLU 29 -16.043 32.542 1.266 202 HA GLU 29 HA GLU 29 -16.057 34.965 2.738 203 HB2 GLU 29 HB2 GLU 29 -16.418 34.405 -0.168 204 HB3 GLU 29 HB3 GLU 29 -16.502 36.003 0.543 205 HG2 GLU 29 HG2 GLU 29 -14.331 35.777 1.603 206 HG3 GLU 29 HG3 GLU 29 -14.070 34.227 0.860 207 H ALA 30 H ALA 30 -18.637 32.903 1.325 208 HA ALA 30 HA ALA 30 -20.843 34.636 1.907 209 HB1 ALA 30 HB1 ALA 30 -20.690 31.586 1.946 210 HB2 ALA 30 HB2 ALA 30 -22.146 32.584 1.894 211 HB3 ALA 30 HB3 ALA 30 -21.016 32.577 0.511 212 H LEU 31 H LEU 31 -19.064 32.235 3.779 213 HA LEU 31 HA LEU 31 -20.335 32.622 6.267 214 HB2 LEU 31 HB2 LEU 31 -18.889 30.685 5.519 215 HB3 LEU 31 HB3 LEU 31 -17.521 31.771 5.649 216 HG LEU 31 HG LEU 31 -18.258 32.127 8.126 217 HD11 LEU 31 HD11 LEU 31 -19.525 30.402 9.100 218 HD12 LEU 31 HD12 LEU 31 -20.482 30.908 7.686 219 HD13 LEU 31 HD13 LEU 31 -19.510 29.431 7.595 220 HD21 LEU 31 HD21 LEU 31 -17.051 29.595 7.010 221 HD22 LEU 31 HD22 LEU 31 -16.232 31.135 7.367 222 HD23 LEU 31 HD23 LEU 31 -16.920 30.217 8.722 223 H ASP 32 H ASP 32 -17.529 34.377 4.768 224 HA ASP 32 HA ASP 32 -16.850 35.914 6.994 225 HB2 ASP 32 HB2 ASP 32 -15.476 35.970 5.041 226 HB3 ASP 32 HB3 ASP 32 -16.761 36.543 4.007 227 H LYS 33 H LYS 33 -19.625 36.184 4.815 228 HA LYS 33 HA LYS 33 -20.765 38.470 6.087 229 HB2 LYS 33 HB2 LYS 33 -22.424 36.586 4.580 230 HB3 LYS 33 HB3 LYS 33 -22.457 38.356 4.754 231 HG2 LYS 33 HG2 LYS 33 -20.952 36.575 2.900 232 HG3 LYS 33 HG3 LYS 33 -21.994 37.916 2.515 233 HD2 LYS 33 HD2 LYS 33 -20.210 39.441 3.520 234 HD3 LYS 33 HD3 LYS 33 -19.117 38.020 3.514 235 HE2 LYS 33 HE2 LYS 33 -19.447 37.655 1.160 236 HE3 LYS 33 HE3 LYS 33 -20.506 39.078 1.055 237 HZ1 LYS 33 HZ1 LYS 33 -18.187 39.597 0.426 238 HZ2 LYS 33 HZ2 LYS 33 -18.624 40.457 1.744 239 HZ3 LYS 33 HZ3 LYS 33 -17.655 39.155 1.911 240 H LEU 34 H LEU 34 -21.323 34.946 6.317 241 HA LEU 34 HA LEU 34 -23.437 35.178 8.150 242 HB2 LEU 34 HB2 LEU 34 -22.519 33.314 6.568 243 HB3 LEU 34 HB3 LEU 34 -21.925 32.615 8.096 244 HG LEU 34 HG LEU 34 -24.793 33.468 7.500 245 HD11 LEU 34 HD11 LEU 34 -25.273 31.152 7.064 246 HD12 LEU 34 HD12 LEU 34 -24.044 31.833 6.006 247 HD13 LEU 34 HD13 LEU 34 -23.546 30.743 7.327 248 HD21 LEU 34 HD21 LEU 34 -24.280 32.954 9.931 249 HD22 LEU 34 HD22 LEU 34 -25.639 32.096 9.143 250 HD23 LEU 34 HD23 LEU 34 -24.062 31.282 9.469 251 H ALA 35 H ALA 35 -20.009 35.173 8.657 252 HA ALA 35 HA ALA 35 -20.083 34.857 11.530 253 HB1 ALA 35 HB1 ALA 35 -17.683 35.331 11.313 254 HB2 ALA 35 HB2 ALA 35 -18.212 34.104 10.130 255 HB3 ALA 35 HB3 ALA 35 -17.910 35.776 9.602 256 H ALA 36 H ALA 36 -20.549 37.462 9.210 257 HA ALA 36 HA ALA 36 -20.235 39.694 11.048 258 HB1 ALA 36 HB1 ALA 36 -21.250 39.631 8.142 259 HB2 ALA 36 HB2 ALA 36 -20.827 41.059 9.096 260 HB3 ALA 36 HB3 ALA 36 -19.578 39.883 8.670 261 H LYS 37 H LYS 37 -23.062 38.433 9.246 262 HA LYS 37 HA LYS 37 -24.901 39.300 11.457 263 HB2 LYS 37 HB2 LYS 37 -24.844 40.869 9.372 264 HB3 LYS 37 HB3 LYS 37 -25.575 39.507 8.573 265 HG2 LYS 37 HG2 LYS 37 -26.643 41.305 10.761 266 HG3 LYS 37 HG3 LYS 37 -27.384 40.909 9.197 267 HD2 LYS 37 HD2 LYS 37 -28.831 40.059 10.696 268 HD3 LYS 37 HD3 LYS 37 -27.943 38.630 10.222 269 HE2 LYS 37 HE2 LYS 37 -26.684 38.657 12.331 270 HE3 LYS 37 HE3 LYS 37 -27.289 40.273 12.705 271 HZ1 LYS 37 HZ1 LYS 37 -28.995 37.834 12.540 272 HZ2 LYS 37 HZ2 LYS 37 -28.502 38.545 13.926 273 HZ3 LYS 37 HZ3 LYS 37 -29.516 39.333 12.927 274 HA PRO 38 HA PRO 38 -24.643 35.062 10.023 275 HB2 PRO 38 HB2 PRO 38 -25.838 34.046 12.560 276 HB3 PRO 38 HB3 PRO 38 -24.263 33.753 11.765 277 HG2 PRO 38 HG2 PRO 38 -25.043 35.820 13.784 278 HG3 PRO 38 HG3 PRO 38 -23.377 35.250 13.383 279 HD2 PRO 38 HD2 PRO 38 -24.415 37.688 12.767 280 HD3 PRO 38 HD3 PRO 38 -23.175 36.912 11.741 281 H SER 39 H SER 39 -27.816 35.078 11.746 282 HA SER 39 HA SER 39 -28.627 33.350 9.614 283 HB2 SER 39 HB2 SER 39 -30.600 32.944 10.832 284 HB3 SER 39 HB3 SER 39 -29.159 32.734 11.804 285 HG SER 39 HG SER 39 -30.807 33.935 12.941 286 H ASP 40 H ASP 40 -28.218 36.419 9.243 287 HA ASP 40 HA ASP 40 -30.591 37.516 8.089 288 HB2 ASP 40 HB2 ASP 40 -28.753 38.984 8.263 289 HB3 ASP 40 HB3 ASP 40 -27.707 37.915 7.380 290 HA PRO 41 HA PRO 41 -30.687 33.861 5.614 291 HB2 PRO 41 HB2 PRO 41 -33.073 34.191 4.250 292 HB3 PRO 41 HB3 PRO 41 -32.944 33.725 5.984 293 HG2 PRO 41 HG2 PRO 41 -33.378 36.485 4.733 294 HG3 PRO 41 HG3 PRO 41 -34.308 35.747 6.090 295 HD2 PRO 41 HD2 PRO 41 -32.288 37.501 6.518 296 HD3 PRO 41 HD3 PRO 41 -32.571 36.109 7.608 297 H ALA 42 H ALA 42 -30.870 37.042 4.072 298 HA ALA 42 HA ALA 42 -30.557 36.108 1.420 299 HB1 ALA 42 HB1 ALA 42 -30.045 38.445 0.958 300 HB2 ALA 42 HB2 ALA 42 -31.390 38.301 2.128 301 HB3 ALA 42 HB3 ALA 42 -29.766 38.750 2.693 302 H LEU 43 H LEU 43 -28.077 37.041 3.918 303 HA LEU 43 HA LEU 43 -25.900 36.070 2.232 304 HB2 LEU 43 HB2 LEU 43 -24.477 36.796 3.902 305 HB3 LEU 43 HB3 LEU 43 -25.736 38.011 3.767 306 HG LEU 43 HG LEU 43 -26.747 36.722 5.854 307 HD11 LEU 43 HD11 LEU 43 -25.151 35.759 7.272 308 HD12 LEU 43 HD12 LEU 43 -24.900 34.888 5.730 309 HD13 LEU 43 HD13 LEU 43 -23.831 36.201 6.122 310 HD21 LEU 43 HD21 LEU 43 -24.943 37.841 7.391 311 HD22 LEU 43 HD22 LEU 43 -24.300 38.491 5.882 312 HD23 LEU 43 HD23 LEU 43 -25.990 38.882 6.387 313 H LEU 44 H LEU 44 -27.604 34.714 5.121 314 HA LEU 44 HA LEU 44 -25.909 32.361 5.315 315 HB2 LEU 44 HB2 LEU 44 -26.925 32.582 7.252 316 HB3 LEU 44 HB3 LEU 44 -28.244 33.437 6.696 317 HG LEU 44 HG LEU 44 -29.070 31.616 7.779 318 HD11 LEU 44 HD11 LEU 44 -30.089 31.832 5.347 319 HD12 LEU 44 HD12 LEU 44 -29.270 30.269 5.081 320 HD13 LEU 44 HD13 LEU 44 -30.476 30.424 6.356 321 HD21 LEU 44 HD21 LEU 44 -28.488 29.298 7.337 322 HD22 LEU 44 HD22 LEU 44 -27.216 29.840 6.193 323 HD23 LEU 44 HD23 LEU 44 -27.170 30.292 7.964 324 H ALA 45 H ALA 45 -28.888 32.982 3.327 325 HA ALA 45 HA ALA 45 -28.753 30.266 2.621 326 HB1 ALA 45 HB1 ALA 45 -30.525 30.707 0.963 327 HB2 ALA 45 HB2 ALA 45 -30.899 31.492 2.507 328 HB3 ALA 45 HB3 ALA 45 -30.275 32.457 1.139 329 H ALA 46 H ALA 46 -27.270 33.183 1.232 330 HA ALA 46 HA ALA 46 -26.263 31.952 -1.121 331 HB1 ALA 46 HB1 ALA 46 -24.631 33.733 -1.121 332 HB2 ALA 46 HB2 ALA 46 -26.251 34.374 -0.771 333 HB3 ALA 46 HB3 ALA 46 -25.064 34.201 0.551 334 H TYR 47 H TYR 47 -25.051 32.049 2.262 335 HA TYR 47 HA TYR 47 -22.654 30.571 1.905 336 HB2 TYR 47 HB2 TYR 47 -23.399 31.772 4.011 337 HB3 TYR 47 HB3 TYR 47 -24.602 30.631 4.177 338 HD1 TYR 47 HD2 TYR 47 -20.887 30.358 3.724 339 HD2 TYR 47 HD1 TYR 47 -24.454 28.817 5.575 340 HE1 TYR 47 HE2 TYR 47 -19.548 28.566 4.812 341 HE2 TYR 47 HE1 TYR 47 -23.108 27.080 6.727 342 HH TYR 47 HH TYR 47 -21.024 26.161 7.017 343 H GLN 48 H GLN 48 -25.872 29.459 2.880 344 HA GLN 48 HA GLN 48 -25.038 26.830 2.872 345 HB2 GLN 48 HB2 GLN 48 -27.137 26.165 3.545 346 HB3 GLN 48 HB3 GLN 48 -26.867 27.787 4.139 347 HG2 GLN 48 HG2 GLN 48 -28.946 28.039 3.449 348 HG3 GLN 48 HG3 GLN 48 -28.106 28.457 1.956 349 HE21 GLN 48 HE22 GLN 48 -29.761 25.684 3.593 350 HE22 GLN 48 HE21 GLN 48 -30.256 24.931 2.084 351 H SER 49 H SER 49 -26.223 28.783 0.303 352 HA SER 49 HA SER 49 -26.543 26.839 -1.721 353 HB2 SER 49 HB2 SER 49 -27.111 29.404 -1.886 354 HB3 SER 49 HB3 SER 49 -25.387 29.680 -2.206 355 HG SER 49 HG SER 49 -26.671 29.423 -4.116 356 H LYS 50 H LYS 50 -23.714 28.854 -0.865 357 HA LYS 50 HA LYS 50 -21.965 27.678 -2.755 358 HB2 LYS 50 HB2 LYS 50 -21.458 29.382 -0.220 359 HB3 LYS 50 HB3 LYS 50 -20.218 28.915 -1.366 360 HG2 LYS 50 HG2 LYS 50 -22.565 30.064 -2.763 361 HG3 LYS 50 HG3 LYS 50 -21.848 31.149 -1.586 362 HD2 LYS 50 HD2 LYS 50 -20.872 31.531 -3.679 363 HD3 LYS 50 HD3 LYS 50 -19.671 30.855 -2.536 364 HE2 LYS 50 HE2 LYS 50 -19.122 29.319 -4.066 365 HE3 LYS 50 HE3 LYS 50 -20.681 28.604 -3.782 366 HZ1 LYS 50 HZ1 LYS 50 -19.963 30.601 -5.883 367 HZ2 LYS 50 HZ2 LYS 50 -20.433 29.073 -6.151 368 HZ3 LYS 50 HZ3 LYS 50 -21.526 30.164 -5.602 369 H LEU 51 H LEU 51 -22.541 26.886 0.584 370 HA LEU 51 HA LEU 51 -20.739 24.769 1.127 371 HB2 LEU 51 HB2 LEU 51 -21.949 25.815 2.811 372 HB3 LEU 51 HB3 LEU 51 -23.426 25.858 1.904 373 HG LEU 51 HG LEU 51 -22.423 23.519 3.511 374 HD11 LEU 51 HD11 LEU 51 -25.026 25.071 3.834 375 HD12 LEU 51 HD12 LEU 51 -24.080 24.197 5.047 376 HD13 LEU 51 HD13 LEU 51 -23.524 25.776 4.442 377 HD21 LEU 51 HD21 LEU 51 -23.720 22.477 1.732 378 HD22 LEU 51 HD22 LEU 51 -24.802 22.646 3.107 379 HD23 LEU 51 HD23 LEU 51 -24.920 23.791 1.759 380 H SER 52 H SER 52 -23.798 24.780 -0.726 381 HA SER 52 HA SER 52 -23.565 21.966 -1.346 382 HB2 SER 52 HB2 SER 52 -25.333 24.036 -2.675 383 HB3 SER 52 HB3 SER 52 -25.436 22.275 -2.766 384 HG SER 52 HG SER 52 -25.919 23.921 -0.491 385 H GLU 53 H GLU 53 -22.928 25.033 -3.126 386 HA GLU 53 HA GLU 53 -22.211 23.932 -5.589 387 HB2 GLU 53 HB2 GLU 53 -21.060 26.314 -4.244 388 HB3 GLU 53 HB3 GLU 53 -20.728 25.748 -5.901 389 HG2 GLU 53 HG2 GLU 53 -23.207 27.069 -4.915 390 HG3 GLU 53 HG3 GLU 53 -21.886 27.617 -5.989 391 H TYR 54 H TYR 54 -20.294 24.340 -2.645 392 HA TYR 54 HA TYR 54 -17.812 23.480 -3.725 393 HB2 TYR 54 HB2 TYR 54 -17.341 24.611 -1.853 394 HB3 TYR 54 HB3 TYR 54 -18.880 24.301 -1.145 395 HD1 TYR 54 HD2 TYR 54 -19.241 22.238 0.188 396 HD2 TYR 54 HD1 TYR 54 -15.387 23.420 -1.328 397 HE1 TYR 54 HE2 TYR 54 -18.189 20.792 1.831 398 HE2 TYR 54 HE1 TYR 54 -14.286 21.946 0.282 399 HH TYR 54 HH TYR 54 -14.572 20.431 2.037 400 H ASN 55 H ASN 55 -20.511 21.667 -2.295 401 HA ASN 55 HA ASN 55 -19.147 19.177 -2.513 402 HB2 ASN 55 HB2 ASN 55 -21.495 19.962 -1.273 403 HB3 ASN 55 HB3 ASN 55 -22.050 19.067 -2.692 404 HD21 ASN 55 HD22 ASN 55 -20.668 16.961 -3.131 405 HD22 ASN 55 HD21 ASN 55 -20.521 15.952 -1.693 406 H LEU 56 H LEU 56 -21.118 21.142 -4.769 407 HA LEU 56 HA LEU 56 -21.305 19.224 -6.909 408 HB2 LEU 56 HB2 LEU 56 -21.624 22.174 -6.544 409 HB3 LEU 56 HB3 LEU 56 -21.385 21.660 -8.158 410 HG LEU 56 HG LEU 56 -23.423 20.552 -8.309 411 HD11 LEU 56 HD11 LEU 56 -24.988 20.119 -6.462 412 HD12 LEU 56 HD12 LEU 56 -23.486 19.218 -6.238 413 HD13 LEU 56 HD13 LEU 56 -23.788 20.688 -5.288 414 HD21 LEU 56 HD21 LEU 56 -25.005 22.290 -7.670 415 HD22 LEU 56 HD22 LEU 56 -23.895 22.900 -6.418 416 HD23 LEU 56 HD23 LEU 56 -23.466 23.067 -8.119 417 H TYR 57 H TYR 57 -18.911 21.785 -6.116 418 HA TYR 57 HA TYR 57 -17.150 21.323 -8.233 419 HB2 TYR 57 HB2 TYR 57 -16.576 23.151 -6.988 420 HB3 TYR 57 HB3 TYR 57 -16.726 22.331 -5.450 421 HD1 TYR 57 HD1 TYR 57 -14.537 22.814 -8.415 422 HD2 TYR 57 HD2 TYR 57 -15.087 20.688 -4.712 423 HE1 TYR 57 HE1 TYR 57 -12.310 21.722 -8.705 424 HE2 TYR 57 HE2 TYR 57 -12.983 19.467 -5.080 425 HH TYR 57 HH TYR 57 -11.032 19.355 -6.351 426 H ARG 58 H ARG 58 -17.516 19.674 -5.129 427 HA ARG 58 HA ARG 58 -15.639 17.595 -5.428 428 HB2 ARG 58 HB2 ARG 58 -17.453 18.525 -3.473 429 HB3 ARG 58 HB3 ARG 58 -18.159 16.993 -3.901 430 HG2 ARG 58 HG2 ARG 58 -16.862 16.539 -2.067 431 HG3 ARG 58 HG3 ARG 58 -15.877 15.958 -3.436 432 HD2 ARG 58 HD2 ARG 58 -14.738 18.273 -3.332 433 HD3 ARG 58 HD3 ARG 58 -15.526 18.485 -1.777 434 HE ARG 58 HE ARG 58 -13.572 16.297 -2.467 435 HH11 ARG 58 HH21 ARG 58 -14.967 18.268 0.080 436 HH12 ARG 58 HH22 ARG 58 -13.909 17.593 1.285 437 HH21 ARG 58 HH11 ARG 58 -12.282 15.478 -0.889 438 HH22 ARG 58 HH12 ARG 58 -12.442 16.051 0.743 439 H ASN 59 H ASN 59 -19.057 17.711 -6.312 440 HA ASN 59 HA ASN 59 -19.375 15.057 -7.154 441 HB2 ASN 59 HB2 ASN 59 -21.224 16.819 -6.724 442 HB3 ASN 59 HB3 ASN 59 -20.838 17.462 -8.312 443 HD21 ASN 59 HD22 ASN 59 -22.443 16.828 -9.716 444 HD22 ASN 59 HD21 ASN 59 -23.088 15.197 -9.774 445 H ALA 60 H ALA 60 -18.493 17.958 -8.977 446 HA ALA 60 HA ALA 60 -18.023 16.771 -11.514 447 HB1 ALA 60 HB1 ALA 60 -18.431 19.200 -11.026 448 HB2 ALA 60 HB2 ALA 60 -16.887 19.286 -10.183 449 HB3 ALA 60 HB3 ALA 60 -16.905 18.948 -11.931 450 H GLN 61 H GLN 61 -15.816 17.442 -8.770 451 HA GLN 61 HA GLN 61 -13.686 15.916 -9.892 452 HB2 GLN 61 HB2 GLN 61 -13.506 17.849 -8.371 453 HB3 GLN 61 HB3 GLN 61 -13.955 16.736 -7.066 454 HG2 GLN 61 HG2 GLN 61 -11.653 16.394 -6.927 455 HG3 GLN 61 HG3 GLN 61 -11.926 15.282 -8.268 456 HE21 GLN 61 HE22 GLN 61 -9.426 16.523 -7.662 457 HE22 GLN 61 HE21 GLN 61 -9.060 17.568 -9.033 458 H SER 62 H SER 62 -16.272 14.677 -9.509 459 HA SER 62 HA SER 62 -15.285 12.017 -8.906 460 HB2 SER 62 HB2 SER 62 -16.546 12.926 -6.886 461 HB3 SER 62 HB3 SER 62 -17.990 12.951 -7.910 462 HG SER 62 HG SER 62 -17.710 11.000 -6.612 463 H ASN 63 H ASN 63 -15.980 13.852 -11.205 464 HA ASN 63 HA ASN 63 -17.385 11.858 -12.810 465 HB2 ASN 63 HB2 ASN 63 -18.497 14.201 -12.172 466 HB3 ASN 63 HB3 ASN 63 -17.437 14.861 -13.376 467 HD21 ASN 63 HD22 ASN 63 -20.430 13.237 -12.903 468 HD22 ASN 63 HD21 ASN 63 -20.767 12.949 -14.604 469 H THR 64 H THR 64 -15.184 14.620 -12.973 470 HA THR 64 HA THR 64 -13.691 14.086 -15.223 471 HB THR 64 HB THR 64 -13.583 16.007 -13.812 472 HG1 THR 64 HG1 THR 64 -11.405 16.386 -13.973 473 HG21 THR 64 HG21 THR 64 -12.607 16.170 -11.724 474 HG22 THR 64 HG22 THR 64 -13.603 14.699 -11.629 475 HG23 THR 64 HG23 THR 64 -11.832 14.575 -11.824 476 H VAL 65 H VAL 65 -13.217 12.804 -12.079 477 HA VAL 65 HA VAL 65 -11.121 11.044 -12.136 478 HB VAL 65 HB VAL 65 -13.833 10.477 -10.848 479 HG11 VAL 65 HG11 VAL 65 -10.972 10.312 -9.774 480 HG12 VAL 65 HG12 VAL 65 -12.436 9.774 -8.924 481 HG13 VAL 65 HG13 VAL 65 -11.890 8.903 -10.370 482 HG21 VAL 65 HG21 VAL 65 -11.969 12.716 -10.101 483 HG22 VAL 65 HG22 VAL 65 -13.726 12.734 -10.454 484 HG23 VAL 65 HG23 VAL 65 -13.130 11.970 -8.981 485 H LYS 66 H LYS 66 -14.235 10.644 -13.600 486 HA LYS 66 HA LYS 66 -13.842 7.872 -14.452 487 HB2 LYS 66 HB2 LYS 66 -16.223 9.609 -13.785 488 HB3 LYS 66 HB3 LYS 66 -16.417 8.025 -14.540 489 HG2 LYS 66 HG2 LYS 66 -15.726 6.868 -12.596 490 HG3 LYS 66 HG3 LYS 66 -14.840 8.259 -11.956 491 HD2 LYS 66 HD2 LYS 66 -17.014 9.480 -11.730 492 HD3 LYS 66 HD3 LYS 66 -17.863 7.968 -12.090 493 HE2 LYS 66 HE2 LYS 66 -16.892 6.913 -10.101 494 HE3 LYS 66 HE3 LYS 66 -15.826 8.302 -9.840 495 HZ1 LYS 66 HZ1 LYS 66 -18.785 8.363 -9.617 496 HZ2 LYS 66 HZ2 LYS 66 -17.721 8.476 -8.379 497 HZ3 LYS 66 HZ3 LYS 66 -17.819 9.678 -9.476 498 H VAL 67 H VAL 67 -13.281 10.780 -15.621 499 HA VAL 67 HA VAL 67 -14.054 10.284 -18.389 500 HB VAL 67 HB VAL 67 -13.532 12.714 -16.712 501 HG11 VAL 67 HG11 VAL 67 -13.476 12.672 -19.710 502 HG12 VAL 67 HG12 VAL 67 -13.710 14.144 -18.657 503 HG13 VAL 67 HG13 VAL 67 -12.209 13.221 -18.572 504 HG21 VAL 67 HG21 VAL 67 -15.749 12.018 -18.622 505 HG22 VAL 67 HG22 VAL 67 -15.741 11.601 -16.903 506 HG23 VAL 67 HG23 VAL 67 -15.713 13.320 -17.367 507 H PHE 68 H PHE 68 -11.320 11.120 -16.243 508 HA PHE 68 HA PHE 68 -9.300 10.820 -18.227 509 HB2 PHE 68 HB2 PHE 68 -9.402 10.341 -15.221 510 HB3 PHE 68 HB3 PHE 68 -7.910 10.208 -16.182 511 HD1 PHE 68 HD1 PHE 68 -7.578 12.402 -17.837 512 HD2 PHE 68 HD2 PHE 68 -9.554 12.334 -14.003 513 HE1 PHE 68 HE1 PHE 68 -7.166 14.834 -17.578 514 HE2 PHE 68 HE2 PHE 68 -9.165 14.768 -13.762 515 HZ PHE 68 HZ PHE 68 -7.959 16.024 -15.541 516 H LYS 69 H LYS 69 -11.366 8.547 -16.519 517 HA LYS 69 HA LYS 69 -10.214 6.074 -17.264 518 HB2 LYS 69 HB2 LYS 69 -12.088 6.135 -15.707 519 HB3 LYS 69 HB3 LYS 69 -13.010 7.190 -16.743 520 HG2 LYS 69 HG2 LYS 69 -12.477 4.452 -17.829 521 HG3 LYS 69 HG3 LYS 69 -13.591 4.586 -16.474 522 HD2 LYS 69 HD2 LYS 69 -15.161 5.871 -17.630 523 HD3 LYS 69 HD3 LYS 69 -14.013 6.473 -18.804 524 HE2 LYS 69 HE2 LYS 69 -13.782 4.139 -19.736 525 HE3 LYS 69 HE3 LYS 69 -15.079 3.628 -18.647 526 HZ1 LYS 69 HZ1 LYS 69 -15.324 5.690 -20.800 527 HZ2 LYS 69 HZ2 LYS 69 -15.957 4.187 -20.832 528 HZ3 LYS 69 HZ3 LYS 69 -16.526 5.278 -19.762 529 H ASP 70 H ASP 70 -12.166 8.388 -19.078 530 HA ASP 70 HA ASP 70 -12.369 6.777 -21.429 531 HB2 ASP 70 HB2 ASP 70 -13.914 8.750 -20.402 532 HB3 ASP 70 HB3 ASP 70 -13.038 9.628 -21.659 533 H ILE 71 H ILE 71 -10.326 9.436 -20.372 534 HA ILE 71 HA ILE 71 -8.910 9.564 -22.813 535 HB ILE 71 HB ILE 71 -8.921 11.094 -20.546 536 HG12 ILE 71 HG12 ILE 71 -8.239 11.653 -22.929 537 HG13 ILE 71 HG13 ILE 71 -7.412 12.532 -21.646 538 HG21 ILE 71 HG21 ILE 71 -6.245 9.653 -20.326 539 HG22 ILE 71 HG22 ILE 71 -6.558 11.277 -19.700 540 HG23 ILE 71 HG23 ILE 71 -7.442 9.921 -19.070 541 HD11 ILE 71 HD11 ILE 71 -5.441 11.204 -21.838 542 HD12 ILE 71 HD12 ILE 71 -6.238 10.017 -22.866 543 HD13 ILE 71 HD13 ILE 71 -5.901 11.654 -23.499 544 H ASP 72 H ASP 72 -8.336 7.657 -19.893 545 HA ASP 72 HA ASP 72 -6.163 6.180 -20.875 546 HB2 ASP 72 HB2 ASP 72 -6.770 6.333 -18.539 547 HB3 ASP 72 HB3 ASP 72 -8.322 5.627 -18.885 548 H ALA 73 H ALA 73 -9.654 5.523 -21.294 549 HA ALA 73 HA ALA 73 -9.342 3.120 -22.765 550 HB1 ALA 73 HB1 ALA 73 -11.628 3.601 -23.571 551 HB2 ALA 73 HB2 ALA 73 -11.495 3.939 -21.834 552 HB3 ALA 73 HB3 ALA 73 -11.505 5.276 -23.001 553 H ALA 74 H ALA 74 -8.617 6.444 -23.735 554 HA ALA 74 HA ALA 74 -8.346 5.757 -26.541 555 HB1 ALA 74 HB1 ALA 74 -7.424 8.270 -25.083 556 HB2 ALA 74 HB2 ALA 74 -7.628 8.047 -26.825 557 HB3 ALA 74 HB3 ALA 74 -9.046 8.045 -25.753 558 H ILE 75 H ILE 75 -6.217 6.147 -23.703 559 HA ILE 75 HA ILE 75 -3.757 5.614 -24.958 560 HB ILE 75 HB ILE 75 -4.555 4.831 -22.138 561 HG12 ILE 75 HG12 ILE 75 -3.023 7.271 -23.115 562 HG13 ILE 75 HG13 ILE 75 -4.720 7.280 -22.795 563 HG21 ILE 75 HG21 ILE 75 -1.792 5.091 -23.405 564 HG22 ILE 75 HG22 ILE 75 -2.115 4.815 -21.680 565 HG23 ILE 75 HG23 ILE 75 -2.547 3.584 -22.849 566 HD11 ILE 75 HD11 ILE 75 -2.439 6.910 -20.818 567 HD12 ILE 75 HD12 ILE 75 -3.651 8.197 -20.868 568 HD13 ILE 75 HD13 ILE 75 -4.120 6.558 -20.374 569 H LEU 76 H LEU 76 -6.241 3.467 -23.655 570 HA LEU 76 HA LEU 76 -5.252 0.901 -24.005 571 HB2 LEU 76 HB2 LEU 76 -7.489 1.897 -23.022 572 HB3 LEU 76 HB3 LEU 76 -8.094 1.723 -24.663 573 HG LEU 76 HG LEU 76 -7.458 -0.751 -24.456 574 HD11 LEU 76 HD11 LEU 76 -6.054 -0.525 -22.400 575 HD12 LEU 76 HD12 LEU 76 -7.473 0.095 -21.523 576 HD13 LEU 76 HD13 LEU 76 -7.440 -1.591 -22.103 577 HD21 LEU 76 HD21 LEU 76 -9.563 -1.261 -23.269 578 HD22 LEU 76 HD22 LEU 76 -9.643 0.417 -22.685 579 HD23 LEU 76 HD23 LEU 76 -9.776 0.066 -24.422 580 H GLU 77 H GLU 77 -6.955 2.901 -26.450 581 HA GLU 77 HA GLU 77 -6.659 1.079 -28.631 582 HB2 GLU 77 HB2 GLU 77 -7.316 4.019 -28.452 583 HB3 GLU 77 HB3 GLU 77 -7.224 3.137 -29.985 584 HG2 GLU 77 HG2 GLU 77 -9.042 2.378 -27.650 585 HG3 GLU 77 HG3 GLU 77 -9.508 3.340 -29.035 586 H HIS 78 H HIS 78 -4.864 4.026 -27.626 587 HA HIS 78 HA HIS 78 -3.005 4.192 -29.692 588 HB2 HIS 78 HB2 HIS 78 -3.504 5.780 -27.692 589 HB3 HIS 78 HB3 HIS 78 -2.312 4.833 -26.815 590 HD1 HIS 78 HD1 HIS 78 -2.593 7.378 -29.650 591 HD2 HIS 78 HD2 HIS 78 0.283 5.108 -27.582 592 HE1 HIS 78 HE1 HIS 78 -0.322 8.332 -30.313 593 H HIS 79 H HIS 79 -2.856 2.075 -26.864 594 HA HIS 79 HA HIS 79 -0.248 1.192 -26.861 595 HB2 HIS 79 HB2 HIS 79 -1.998 0.638 -25.218 596 HB3 HIS 79 HB3 HIS 79 -2.784 -0.415 -26.394 597 HD1 HIS 79 HD1 HIS 79 -2.122 -2.910 -26.116 598 HD2 HIS 79 HD2 HIS 79 0.766 -0.186 -24.718 599 HE1 HIS 79 HE1 HIS 79 -0.248 -4.314 -25.107 600 H HIS 80 H HIS 80 -2.640 0.293 -29.340 601 HA HIS 80 HA HIS 80 -0.727 -1.721 -30.425 602 HB2 HIS 80 HB2 HIS 80 -2.473 -2.795 -31.475 603 HB3 HIS 80 HB3 HIS 80 -3.079 -2.402 -29.878 604 HD1 HIS 80 HD1 HIS 80 -3.420 -1.147 -33.533 605 HD2 HIS 80 HD2 HIS 80 -5.418 -1.185 -29.831 606 HE1 HIS 80 HE1 HIS 80 -5.763 -0.231 -33.977 607 H HIS 81 H HIS 81 -1.146 1.507 -30.903 608 HA HIS 81 HA HIS 81 0.007 1.298 -33.620 609 HB2 HIS 81 HB2 HIS 81 -1.492 2.860 -34.618 610 HB3 HIS 81 HB3 HIS 81 -2.423 1.539 -33.945 611 HD1 HIS 81 HD1 HIS 81 -1.613 5.238 -33.166 612 HD2 HIS 81 HD2 HIS 81 -4.406 2.203 -32.347 613 HE1 HIS 81 HE1 HIS 81 -3.593 6.378 -32.018 614 H HIS 82 H HIS 82 0.847 2.175 -30.784 615 HA HIS 82 HA HIS 82 1.518 4.892 -30.726 616 HB2 HIS 82 HB2 HIS 82 1.632 3.285 -28.844 617 HB3 HIS 82 HB3 HIS 82 3.012 2.492 -29.597 618 HD1 HIS 82 HD1 HIS 82 2.353 6.249 -28.729 619 HD2 HIS 82 HD2 HIS 82 5.106 3.109 -28.200 620 HE1 HIS 82 HE1 HIS 82 4.309 7.225 -27.409 621 H HIS 83 H HIS 83 3.138 2.305 -32.470 622 HA HIS 83 HA HIS 83 4.866 4.230 -33.910 623 HB2 HIS 83 HB2 HIS 83 5.846 1.647 -32.618 624 HB3 HIS 83 HB3 HIS 83 6.747 2.579 -33.807 625 HD1 HIS 83 HD1 HIS 83 6.980 2.101 -30.327 626 HD2 HIS 83 HD2 HIS 83 6.783 5.470 -32.834 627 HE1 HIS 83 HE1 HIS 83 8.024 4.029 -29.016 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -21.376 2.992 6.066 2 H2 MET 1 H2 MET 1 -21.202 4.607 6.221 3 H3 MET 1 H3 MET 1 -21.466 3.955 4.743 4 HA MET 1 HA MET 1 -19.075 3.530 6.414 5 HB2 MET 1 HB2 MET 1 -19.697 2.487 3.625 6 HB3 MET 1 HB3 MET 1 -18.075 2.528 4.331 7 HG2 MET 1 HG2 MET 1 -18.793 1.078 6.175 8 HG3 MET 1 HG3 MET 1 -20.443 1.067 5.552 9 HE1 MET 1 HE1 MET 1 -16.796 -0.274 5.172 10 HE2 MET 1 HE2 MET 1 -16.850 -1.153 3.630 11 HE3 MET 1 HE3 MET 1 -16.908 0.620 3.636 12 H ALA 2 H ALA 2 -19.150 4.472 2.964 13 HA ALA 2 HA ALA 2 -18.511 7.312 3.490 14 HB1 ALA 2 HB1 ALA 2 -16.259 7.076 2.381 15 HB2 ALA 2 HB2 ALA 2 -16.269 6.086 3.862 16 HB3 ALA 2 HB3 ALA 2 -16.472 5.355 2.236 17 H THR 3 H THR 3 -18.003 8.496 1.745 18 HA THR 3 HA THR 3 -19.245 7.688 -0.841 19 HB THR 3 HB THR 3 -18.663 9.978 -1.444 20 HG1 THR 3 HG1 THR 3 -18.116 11.447 0.214 21 HG21 THR 3 HG21 THR 3 -20.289 9.680 1.111 22 HG22 THR 3 HG22 THR 3 -20.412 11.063 -0.029 23 HG23 THR 3 HG23 THR 3 -20.860 9.426 -0.567 24 HA PRO 4 HA PRO 4 -15.538 6.667 -2.553 25 HB2 PRO 4 HB2 PRO 4 -16.003 8.649 -4.745 26 HB3 PRO 4 HB3 PRO 4 -15.570 6.895 -4.842 27 HG2 PRO 4 HG2 PRO 4 -18.186 7.682 -5.213 28 HG3 PRO 4 HG3 PRO 4 -17.808 6.248 -4.181 29 HD2 PRO 4 HD2 PRO 4 -18.488 8.996 -3.281 30 HD3 PRO 4 HD3 PRO 4 -19.026 7.386 -2.756 31 H TRP 5 H TRP 5 -15.826 9.996 -1.666 32 HA TRP 5 HA TRP 5 -12.874 10.201 -1.510 33 HB2 TRP 5 HB2 TRP 5 -13.160 12.597 -1.643 34 HB3 TRP 5 HB3 TRP 5 -13.944 11.795 -3.017 35 HD1 TRP 5 HD1 TRP 5 -16.606 11.845 -3.139 36 HE1 TRP 5 HE1 TRP 5 -18.341 13.474 -2.177 37 HE3 TRP 5 HE3 TRP 5 -13.678 14.167 0.357 38 HZ2 TRP 5 HZ2 TRP 5 -18.441 15.542 -0.166 39 HZ3 TRP 5 HZ3 TRP 5 -14.611 16.004 1.758 40 HH2 TRP 5 HH2 TRP 5 -16.981 16.696 1.503 41 H SER 6 H SER 6 -15.788 10.333 0.580 42 HA SER 6 HA SER 6 -14.342 11.654 2.697 43 HB2 SER 6 HB2 SER 6 -16.134 11.189 4.142 44 HB3 SER 6 HB3 SER 6 -16.825 11.581 2.566 45 HG SER 6 HG SER 6 -17.747 9.738 3.692 46 H GLY 7 H GLY 7 -14.405 8.295 1.739 47 HA2 GLY 7 HA2 GLY 7 -13.151 7.304 4.214 48 HA3 GLY 7 HA3 GLY 7 -13.540 6.381 2.763 49 H TYR 8 H TYR 8 -11.905 8.917 1.551 50 HA TYR 8 HA TYR 8 -9.187 7.838 1.809 51 HB2 TYR 8 HB2 TYR 8 -10.754 8.348 -0.744 52 HB3 TYR 8 HB3 TYR 8 -9.062 7.879 -0.701 53 HD1 TYR 8 HD2 TYR 8 -8.422 5.590 0.235 54 HD2 TYR 8 HD1 TYR 8 -12.490 6.700 -0.689 55 HE1 TYR 8 HE2 TYR 8 -9.069 3.186 0.196 56 HE2 TYR 8 HE1 TYR 8 -13.138 4.292 -0.715 57 HH TYR 8 HH TYR 8 -10.765 1.674 -0.098 58 H LEU 9 H LEU 9 -10.859 10.345 2.425 59 HA LEU 9 HA LEU 9 -10.584 12.490 0.934 60 HB2 LEU 9 HB2 LEU 9 -11.854 12.450 2.973 61 HB3 LEU 9 HB3 LEU 9 -10.399 12.252 3.950 62 HG LEU 9 HG LEU 9 -9.657 14.519 3.338 63 HD11 LEU 9 HD11 LEU 9 -12.383 15.021 2.130 64 HD12 LEU 9 HD12 LEU 9 -10.943 16.080 2.150 65 HD13 LEU 9 HD13 LEU 9 -10.960 14.616 1.164 66 HD21 LEU 9 HD21 LEU 9 -12.495 14.392 4.442 67 HD22 LEU 9 HD22 LEU 9 -11.003 14.157 5.383 68 HD23 LEU 9 HD23 LEU 9 -11.356 15.742 4.664 69 H ASP 10 H ASP 10 -7.991 11.806 3.298 70 HA ASP 10 HA ASP 10 -6.608 14.196 2.517 71 HB2 ASP 10 HB2 ASP 10 -6.641 13.079 4.807 72 HB3 ASP 10 HB3 ASP 10 -5.535 11.861 4.172 73 H ASP 11 H ASP 11 -6.798 11.512 0.714 74 HA ASP 11 HA ASP 11 -4.225 12.115 -0.689 75 HB2 ASP 11 HB2 ASP 11 -4.255 9.813 0.278 76 HB3 ASP 11 HB3 ASP 11 -5.732 9.476 -0.627 77 H VAL 12 H VAL 12 -7.674 11.535 -0.990 78 HA VAL 12 HA VAL 12 -7.771 11.980 -3.823 79 HB VAL 12 HB VAL 12 -9.869 11.869 -1.615 80 HG11 VAL 12 HG11 VAL 12 -10.858 13.183 -3.420 81 HG12 VAL 12 HG12 VAL 12 -10.251 12.042 -4.645 82 HG13 VAL 12 HG13 VAL 12 -11.512 11.543 -3.500 83 HG21 VAL 12 HG21 VAL 12 -8.591 9.774 -2.143 84 HG22 VAL 12 HG22 VAL 12 -10.304 9.639 -2.612 85 HG23 VAL 12 HG23 VAL 12 -9.052 9.928 -3.841 86 H SER 13 H SER 13 -9.062 13.899 -1.111 87 HA SER 13 HA SER 13 -9.620 16.220 -2.627 88 HB2 SER 13 HB2 SER 13 -10.641 15.736 -0.504 89 HB3 SER 13 HB3 SER 13 -9.076 15.912 0.358 90 HG SER 13 HG SER 13 -9.223 18.065 0.127 91 H ALA 14 H ALA 14 -6.747 15.188 -0.872 92 HA ALA 14 HA ALA 14 -5.390 17.560 -0.701 93 HB1 ALA 14 HB1 ALA 14 -4.325 14.760 -1.129 94 HB2 ALA 14 HB2 ALA 14 -3.364 16.144 -0.538 95 HB3 ALA 14 HB3 ALA 14 -4.736 15.549 0.420 96 H LYS 15 H LYS 15 -5.470 15.296 -3.450 97 HA LYS 15 HA LYS 15 -3.651 16.551 -5.210 98 HB2 LYS 15 HB2 LYS 15 -3.943 14.539 -6.039 99 HB3 LYS 15 HB3 LYS 15 -5.426 14.282 -5.146 100 HG2 LYS 15 HG2 LYS 15 -6.724 15.383 -6.920 101 HG3 LYS 15 HG3 LYS 15 -5.260 15.571 -7.894 102 HD2 LYS 15 HD2 LYS 15 -6.470 12.952 -6.921 103 HD3 LYS 15 HD3 LYS 15 -6.643 13.603 -8.547 104 HE2 LYS 15 HE2 LYS 15 -3.997 12.772 -7.265 105 HE3 LYS 15 HE3 LYS 15 -4.957 11.767 -8.349 106 HZ1 LYS 15 HZ1 LYS 15 -3.208 12.907 -9.563 107 HZ2 LYS 15 HZ2 LYS 15 -4.655 13.436 -10.093 108 HZ3 LYS 15 HZ3 LYS 15 -3.749 14.376 -9.105 109 H PHE 16 H PHE 16 -6.717 17.621 -4.258 110 HA PHE 16 HA PHE 16 -6.954 19.575 -6.445 111 HB2 PHE 16 HB2 PHE 16 -9.162 18.419 -4.740 112 HB3 PHE 16 HB3 PHE 16 -9.321 19.453 -6.140 113 HD1 PHE 16 HD2 PHE 16 -8.534 18.486 -8.456 114 HD2 PHE 16 HD1 PHE 16 -9.239 16.089 -4.954 115 HE1 PHE 16 HE2 PHE 16 -8.838 16.478 -9.893 116 HE2 PHE 16 HE1 PHE 16 -9.554 14.077 -6.385 117 HZ PHE 16 HZ PHE 16 -9.361 14.273 -8.862 118 H ASP 17 H ASP 17 -5.899 19.509 -3.402 119 HA ASP 17 HA ASP 17 -7.523 21.047 -1.879 120 HB2 ASP 17 HB2 ASP 17 -5.556 19.715 -1.173 121 HB3 ASP 17 HB3 ASP 17 -4.482 20.977 -1.774 122 H THR 18 H THR 18 -5.643 22.434 -4.461 123 HA THR 18 HA THR 18 -6.052 25.143 -3.422 124 HB THR 18 HB THR 18 -3.792 24.392 -4.156 125 HG1 THR 18 HG1 THR 18 -4.969 26.660 -5.387 126 HG21 THR 18 HG21 THR 18 -4.921 24.803 -6.954 127 HG22 THR 18 HG22 THR 18 -3.233 24.469 -6.512 128 HG23 THR 18 HG23 THR 18 -4.478 23.231 -6.251 129 H GLY 19 H GLY 19 -7.417 23.008 -5.802 130 HA2 GLY 19 HA2 GLY 19 -8.735 25.211 -7.325 131 HA3 GLY 19 HA3 GLY 19 -8.875 23.492 -7.660 132 H VAL 20 H VAL 20 -9.540 22.480 -5.129 133 HA VAL 20 HA VAL 20 -12.288 23.078 -4.679 134 HB VAL 20 HB VAL 20 -10.674 21.123 -3.834 135 HG11 VAL 20 HG11 VAL 20 -10.411 22.784 -1.374 136 HG12 VAL 20 HG12 VAL 20 -9.889 21.109 -1.674 137 HG13 VAL 20 HG13 VAL 20 -9.144 22.421 -2.585 138 HG21 VAL 20 HG21 VAL 20 -12.850 22.342 -2.046 139 HG22 VAL 20 HG22 VAL 20 -13.159 21.258 -3.399 140 HG23 VAL 20 HG23 VAL 20 -12.300 20.658 -1.968 141 H ASP 21 H ASP 21 -9.388 24.429 -3.310 142 HA ASP 21 HA ASP 21 -10.712 26.072 -1.485 143 HB2 ASP 21 HB2 ASP 21 -8.524 25.456 -1.069 144 HB3 ASP 21 HB3 ASP 21 -7.972 25.974 -2.642 145 H ASN 22 H ASN 22 -10.401 26.587 -4.929 146 HA ASN 22 HA ASN 22 -11.026 29.394 -4.739 147 HB2 ASN 22 HB2 ASN 22 -11.615 27.295 -6.918 148 HB3 ASN 22 HB3 ASN 22 -11.899 29.018 -7.103 149 HD21 ASN 22 HD22 ASN 22 -10.063 27.134 -8.598 150 HD22 ASN 22 HD21 ASN 22 -8.500 27.937 -8.514 151 H LEU 23 H LEU 23 -12.843 26.403 -4.520 152 HA LEU 23 HA LEU 23 -15.373 27.773 -4.497 153 HB2 LEU 23 HB2 LEU 23 -14.661 25.185 -5.170 154 HB3 LEU 23 HB3 LEU 23 -15.408 24.992 -3.605 155 HG LEU 23 HG LEU 23 -17.027 24.843 -5.357 156 HD11 LEU 23 HD11 LEU 23 -17.583 27.623 -4.314 157 HD12 LEU 23 HD12 LEU 23 -18.672 26.246 -4.577 158 HD13 LEU 23 HD13 LEU 23 -17.554 26.245 -3.220 159 HD21 LEU 23 HD21 LEU 23 -17.955 26.663 -6.696 160 HD22 LEU 23 HD22 LEU 23 -16.405 27.526 -6.476 161 HD23 LEU 23 HD23 LEU 23 -16.426 25.916 -7.258 162 H GLN 24 H GLN 24 -13.302 26.137 -2.140 163 HA GLN 24 HA GLN 24 -14.727 26.624 0.188 164 HB2 GLN 24 HB2 GLN 24 -12.472 25.327 -0.238 165 HB3 GLN 24 HB3 GLN 24 -11.735 26.913 0.118 166 HG2 GLN 24 HG2 GLN 24 -11.604 25.755 2.058 167 HG3 GLN 24 HG3 GLN 24 -12.925 26.911 2.307 168 HE21 GLN 24 HE22 GLN 24 -12.048 23.684 2.836 169 HE22 GLN 24 HE21 GLN 24 -13.671 23.020 2.960 170 H THR 25 H THR 25 -12.290 28.818 -1.356 171 HA THR 25 HA THR 25 -12.391 30.866 0.543 172 HB THR 25 HB THR 25 -10.768 30.548 -1.313 173 HG1 THR 25 HG1 THR 25 -10.362 32.763 -1.398 174 HG21 THR 25 HG21 THR 25 -12.635 32.173 -3.038 175 HG22 THR 25 HG22 THR 25 -10.991 31.595 -3.416 176 HG23 THR 25 HG23 THR 25 -12.283 30.431 -3.198 177 H GLN 26 H GLN 26 -14.293 30.399 -2.365 178 HA GLN 26 HA GLN 26 -16.109 32.535 -2.075 179 HB2 GLN 26 HB2 GLN 26 -15.840 30.086 -3.716 180 HB3 GLN 26 HB3 GLN 26 -17.473 30.258 -3.188 181 HG2 GLN 26 HG2 GLN 26 -17.142 31.303 -5.365 182 HG3 GLN 26 HG3 GLN 26 -17.649 32.495 -4.165 183 HE21 GLN 26 HE22 GLN 26 -14.395 31.120 -5.213 184 HE22 GLN 26 HE21 GLN 26 -13.721 32.724 -5.462 185 H VAL 27 H VAL 27 -16.667 29.158 -0.853 186 HA VAL 27 HA VAL 27 -19.086 29.891 0.365 187 HB VAL 27 HB VAL 27 -19.246 27.933 1.408 188 HG11 VAL 27 HG11 VAL 27 -17.139 26.878 -0.469 189 HG12 VAL 27 HG12 VAL 27 -18.743 26.256 -0.110 190 HG13 VAL 27 HG13 VAL 27 -18.558 27.687 -1.161 191 HG21 VAL 27 HG21 VAL 27 -16.294 27.502 1.720 192 HG22 VAL 27 HG22 VAL 27 -17.503 27.828 2.989 193 HG23 VAL 27 HG23 VAL 27 -17.564 26.321 2.085 194 H THR 28 H THR 28 -15.764 29.943 1.572 195 HA THR 28 HA THR 28 -16.362 30.603 4.248 196 HB THR 28 HB THR 28 -13.901 31.437 2.747 197 HG1 THR 28 HG1 THR 28 -14.117 29.194 2.607 198 HG21 THR 28 HG21 THR 28 -12.918 31.066 5.091 199 HG22 THR 28 HG22 THR 28 -13.918 32.518 4.786 200 HG23 THR 28 HG23 THR 28 -14.634 31.122 5.639 201 H GLU 29 H GLU 29 -15.995 32.631 1.321 202 HA GLU 29 HA GLU 29 -16.071 34.989 2.892 203 HB2 GLU 29 HB2 GLU 29 -16.350 34.536 -0.041 204 HB3 GLU 29 HB3 GLU 29 -16.499 36.105 0.717 205 HG2 GLU 29 HG2 GLU 29 -14.345 35.892 1.843 206 HG3 GLU 29 HG3 GLU 29 -14.034 34.382 1.047 207 H ALA 30 H ALA 30 -18.601 32.956 1.364 208 HA ALA 30 HA ALA 30 -20.830 34.653 1.981 209 HB1 ALA 30 HB1 ALA 30 -20.650 31.602 1.913 210 HB2 ALA 30 HB2 ALA 30 -22.115 32.593 1.864 211 HB3 ALA 30 HB3 ALA 30 -20.957 32.636 0.503 212 H LEU 31 H LEU 31 -19.063 32.179 3.769 213 HA LEU 31 HA LEU 31 -20.370 32.452 6.253 214 HB2 LEU 31 HB2 LEU 31 -18.905 30.555 5.453 215 HB3 LEU 31 HB3 LEU 31 -17.543 31.640 5.632 216 HG LEU 31 HG LEU 31 -18.303 31.906 8.116 217 HD11 LEU 31 HD11 LEU 31 -20.518 30.700 7.622 218 HD12 LEU 31 HD12 LEU 31 -19.543 29.228 7.473 219 HD13 LEU 31 HD13 LEU 31 -19.565 30.134 9.017 220 HD21 LEU 31 HD21 LEU 31 -17.070 29.419 6.935 221 HD22 LEU 31 HD22 LEU 31 -16.265 30.954 7.343 222 HD23 LEU 31 HD23 LEU 31 -16.960 29.995 8.666 223 H ASP 32 H ASP 32 -17.561 34.293 4.871 224 HA ASP 32 HA ASP 32 -16.916 35.737 7.167 225 HB2 ASP 32 HB2 ASP 32 -15.516 35.892 5.240 226 HB3 ASP 32 HB3 ASP 32 -16.796 36.486 4.211 227 H LYS 33 H LYS 33 -19.654 36.099 4.949 228 HA LYS 33 HA LYS 33 -20.823 38.321 6.299 229 HB2 LYS 33 HB2 LYS 33 -22.454 36.490 4.699 230 HB3 LYS 33 HB3 LYS 33 -22.502 38.251 4.944 231 HG2 LYS 33 HG2 LYS 33 -20.966 36.556 3.037 232 HG3 LYS 33 HG3 LYS 33 -22.011 37.905 2.693 233 HD2 LYS 33 HD2 LYS 33 -20.252 39.406 3.765 234 HD3 LYS 33 HD3 LYS 33 -19.156 37.990 3.748 235 HE2 LYS 33 HE2 LYS 33 -19.443 37.687 1.372 236 HE3 LYS 33 HE3 LYS 33 -20.471 39.135 1.288 237 HZ1 LYS 33 HZ1 LYS 33 -18.577 40.447 2.070 238 HZ2 LYS 33 HZ2 LYS 33 -17.643 39.118 2.220 239 HZ3 LYS 33 HZ3 LYS 33 -18.122 39.620 0.737 240 H LEU 34 H LEU 34 -21.359 34.788 6.398 241 HA LEU 34 HA LEU 34 -23.500 34.949 8.208 242 HB2 LEU 34 HB2 LEU 34 -22.554 33.143 6.574 243 HB3 LEU 34 HB3 LEU 34 -21.978 32.393 8.083 244 HG LEU 34 HG LEU 34 -24.843 33.262 7.484 245 HD11 LEU 34 HD11 LEU 34 -23.583 30.550 7.226 246 HD12 LEU 34 HD12 LEU 34 -25.309 30.962 6.956 247 HD13 LEU 34 HD13 LEU 34 -24.068 31.687 5.940 248 HD21 LEU 34 HD21 LEU 34 -24.134 31.004 9.378 249 HD22 LEU 34 HD22 LEU 34 -24.363 32.656 9.903 250 HD23 LEU 34 HD23 LEU 34 -25.708 31.827 9.060 251 H ALA 35 H ALA 35 -20.078 34.924 8.757 252 HA ALA 35 HA ALA 35 -20.189 34.501 11.616 253 HB1 ALA 35 HB1 ALA 35 -17.787 34.981 11.449 254 HB2 ALA 35 HB2 ALA 35 -18.299 33.804 10.210 255 HB3 ALA 35 HB3 ALA 35 -17.992 35.495 9.755 256 H ALA 36 H ALA 36 -20.622 37.190 9.383 257 HA ALA 36 HA ALA 36 -20.352 39.353 11.307 258 HB1 ALA 36 HB1 ALA 36 -19.656 39.634 8.950 259 HB2 ALA 36 HB2 ALA 36 -21.318 39.395 8.385 260 HB3 ALA 36 HB3 ALA 36 -20.918 40.788 9.399 261 H LYS 37 H LYS 37 -23.143 38.146 9.418 262 HA LYS 37 HA LYS 37 -25.034 38.953 11.614 263 HB2 LYS 37 HB2 LYS 37 -24.935 40.583 9.549 264 HB3 LYS 37 HB3 LYS 37 -25.676 39.239 8.727 265 HG2 LYS 37 HG2 LYS 37 -26.690 41.011 10.913 266 HG3 LYS 37 HG3 LYS 37 -27.469 40.585 9.361 267 HD2 LYS 37 HD2 LYS 37 -28.061 38.365 10.361 268 HD3 LYS 37 HD3 LYS 37 -27.377 38.933 11.913 269 HE2 LYS 37 HE2 LYS 37 -28.797 40.964 11.690 270 HE3 LYS 37 HE3 LYS 37 -29.509 40.298 10.231 271 HZ1 LYS 37 HZ1 LYS 37 -30.372 38.429 11.595 272 HZ2 LYS 37 HZ2 LYS 37 -29.724 39.080 12.950 273 HZ3 LYS 37 HZ3 LYS 37 -30.931 39.849 12.172 274 HA PRO 38 HA PRO 38 -24.743 34.751 10.059 275 HB2 PRO 38 HB2 PRO 38 -25.963 33.651 12.541 276 HB3 PRO 38 HB3 PRO 38 -24.372 33.401 11.762 277 HG2 PRO 38 HG2 PRO 38 -25.212 35.403 13.827 278 HG3 PRO 38 HG3 PRO 38 -23.536 34.846 13.457 279 HD2 PRO 38 HD2 PRO 38 -24.562 37.299 12.879 280 HD3 PRO 38 HD3 PRO 38 -23.299 36.554 11.857 281 H SER 39 H SER 39 -27.943 34.703 11.738 282 HA SER 39 HA SER 39 -28.704 33.039 9.535 283 HB2 SER 39 HB2 SER 39 -30.688 32.566 10.705 284 HB3 SER 39 HB3 SER 39 -29.261 32.339 11.692 285 HG SER 39 HG SER 39 -30.938 33.464 12.851 286 H ASP 40 H ASP 40 -28.321 36.126 9.288 287 HA ASP 40 HA ASP 40 -30.679 37.249 8.134 288 HB2 ASP 40 HB2 ASP 40 -28.828 38.703 8.401 289 HB3 ASP 40 HB3 ASP 40 -27.785 37.673 7.473 290 HA PRO 41 HA PRO 41 -30.714 33.689 5.520 291 HB2 PRO 41 HB2 PRO 41 -33.082 34.057 4.134 292 HB3 PRO 41 HB3 PRO 41 -32.975 33.522 5.850 293 HG2 PRO 41 HG2 PRO 41 -33.413 36.328 4.705 294 HG3 PRO 41 HG3 PRO 41 -34.356 35.527 6.018 295 HD2 PRO 41 HD2 PRO 41 -32.358 37.276 6.548 296 HD3 PRO 41 HD3 PRO 41 -32.643 35.838 7.575 297 H ALA 42 H ALA 42 -30.897 36.930 4.104 298 HA ALA 42 HA ALA 42 -30.547 36.102 1.422 299 HB1 ALA 42 HB1 ALA 42 -30.046 38.457 1.056 300 HB2 ALA 42 HB2 ALA 42 -31.402 38.262 2.204 301 HB3 ALA 42 HB3 ALA 42 -29.786 38.697 2.803 302 H LEU 43 H LEU 43 -28.101 36.947 3.984 303 HA LEU 43 HA LEU 43 -25.900 36.047 2.289 304 HB2 LEU 43 HB2 LEU 43 -24.499 36.712 4.002 305 HB3 LEU 43 HB3 LEU 43 -25.762 37.928 3.901 306 HG LEU 43 HG LEU 43 -26.789 36.543 5.920 307 HD11 LEU 43 HD11 LEU 43 -24.919 34.731 5.738 308 HD12 LEU 43 HD12 LEU 43 -23.872 36.038 6.206 309 HD13 LEU 43 HD13 LEU 43 -25.201 35.531 7.315 310 HD21 LEU 43 HD21 LEU 43 -24.363 38.333 6.051 311 HD22 LEU 43 HD22 LEU 43 -26.063 38.688 6.548 312 HD23 LEU 43 HD23 LEU 43 -25.020 37.616 7.524 313 H LEU 44 H LEU 44 -27.630 34.582 5.112 314 HA LEU 44 HA LEU 44 -25.925 32.236 5.244 315 HB2 LEU 44 HB2 LEU 44 -26.970 32.376 7.168 316 HB3 LEU 44 HB3 LEU 44 -28.288 33.241 6.626 317 HG LEU 44 HG LEU 44 -29.115 31.376 7.630 318 HD11 LEU 44 HD11 LEU 44 -30.490 30.223 6.146 319 HD12 LEU 44 HD12 LEU 44 -30.105 31.672 5.197 320 HD13 LEU 44 HD13 LEU 44 -29.266 30.127 4.882 321 HD21 LEU 44 HD21 LEU 44 -27.225 29.675 6.005 322 HD22 LEU 44 HD22 LEU 44 -27.205 30.057 7.792 323 HD23 LEU 44 HD23 LEU 44 -28.506 29.077 7.107 324 H ALA 45 H ALA 45 -28.887 32.911 3.242 325 HA ALA 45 HA ALA 45 -28.736 30.225 2.442 326 HB1 ALA 45 HB1 ALA 45 -30.262 32.458 1.022 327 HB2 ALA 45 HB2 ALA 45 -30.507 30.716 0.793 328 HB3 ALA 45 HB3 ALA 45 -30.890 31.452 2.359 329 H ALA 46 H ALA 46 -27.214 33.165 1.207 330 HA ALA 46 HA ALA 46 -26.210 32.026 -1.204 331 HB1 ALA 46 HB1 ALA 46 -24.598 33.818 -1.144 332 HB2 ALA 46 HB2 ALA 46 -26.222 34.441 -0.778 333 HB3 ALA 46 HB3 ALA 46 -25.038 34.234 0.542 334 H TYR 47 H TYR 47 -25.035 32.035 2.195 335 HA TYR 47 HA TYR 47 -22.619 30.593 1.809 336 HB2 TYR 47 HB2 TYR 47 -23.391 31.712 3.955 337 HB3 TYR 47 HB3 TYR 47 -24.589 30.562 4.063 338 HD1 TYR 47 HD1 TYR 47 -20.865 30.269 3.611 339 HD2 TYR 47 HD2 TYR 47 -24.456 28.725 5.418 340 HE1 TYR 47 HE1 TYR 47 -19.554 28.428 4.632 341 HE2 TYR 47 HE2 TYR 47 -23.131 26.926 6.507 342 HH TYR 47 HH TYR 47 -19.604 26.569 5.982 343 H GLN 48 H GLN 48 -25.832 29.419 2.724 344 HA GLN 48 HA GLN 48 -24.980 26.798 2.623 345 HB2 GLN 48 HB2 GLN 48 -27.109 26.090 3.196 346 HB3 GLN 48 HB3 GLN 48 -26.853 27.677 3.884 347 HG2 GLN 48 HG2 GLN 48 -28.911 27.963 3.133 348 HG3 GLN 48 HG3 GLN 48 -27.998 28.486 1.721 349 HE21 GLN 48 HE22 GLN 48 -29.037 27.847 -0.163 350 HE22 GLN 48 HE21 GLN 48 -29.791 26.272 -0.363 351 H SER 49 H SER 49 -26.156 28.854 0.104 352 HA SER 49 HA SER 49 -26.401 26.955 -1.994 353 HB2 SER 49 HB2 SER 49 -25.585 29.950 -2.124 354 HB3 SER 49 HB3 SER 49 -25.856 28.947 -3.534 355 HG SER 49 HG SER 49 -27.713 29.675 -1.520 356 H LYS 50 H LYS 50 -23.616 28.971 -0.979 357 HA LYS 50 HA LYS 50 -21.827 27.906 -2.913 358 HB2 LYS 50 HB2 LYS 50 -21.355 29.477 -0.300 359 HB3 LYS 50 HB3 LYS 50 -20.113 29.080 -1.472 360 HG2 LYS 50 HG2 LYS 50 -22.464 30.271 -2.818 361 HG3 LYS 50 HG3 LYS 50 -21.792 31.298 -1.568 362 HD2 LYS 50 HD2 LYS 50 -20.785 31.844 -3.603 363 HD3 LYS 50 HD3 LYS 50 -19.580 31.094 -2.515 364 HE2 LYS 50 HE2 LYS 50 -19.005 29.721 -4.182 365 HE3 LYS 50 HE3 LYS 50 -20.530 28.927 -3.926 366 HZ1 LYS 50 HZ1 LYS 50 -21.513 30.439 -5.622 367 HZ2 LYS 50 HZ2 LYS 50 -20.088 31.204 -5.821 368 HZ3 LYS 50 HZ3 LYS 50 -20.239 29.648 -6.277 369 H LEU 51 H LEU 51 -22.478 26.958 0.376 370 HA LEU 51 HA LEU 51 -20.652 24.843 0.835 371 HB2 LEU 51 HB2 LEU 51 -21.879 25.794 2.569 372 HB3 LEU 51 HB3 LEU 51 -23.349 25.873 1.653 373 HG LEU 51 HG LEU 51 -22.356 23.478 3.172 374 HD11 LEU 51 HD11 LEU 51 -23.490 25.688 4.172 375 HD12 LEU 51 HD12 LEU 51 -24.976 24.998 3.510 376 HD13 LEU 51 HD13 LEU 51 -24.047 24.083 4.704 377 HD21 LEU 51 HD21 LEU 51 -24.714 22.596 2.691 378 HD22 LEU 51 HD22 LEU 51 -24.825 23.791 1.388 379 HD23 LEU 51 HD23 LEU 51 -23.605 22.496 1.329 380 H SER 52 H SER 52 -23.799 24.874 -0.912 381 HA SER 52 HA SER 52 -23.510 22.166 -1.764 382 HB2 SER 52 HB2 SER 52 -25.224 24.316 -2.988 383 HB3 SER 52 HB3 SER 52 -25.254 22.568 -3.307 384 HG SER 52 HG SER 52 -26.868 23.223 -1.767 385 H GLU 53 H GLU 53 -22.714 25.318 -3.346 386 HA GLU 53 HA GLU 53 -21.998 24.274 -5.838 387 HB2 GLU 53 HB2 GLU 53 -20.779 26.577 -4.397 388 HB3 GLU 53 HB3 GLU 53 -20.436 26.054 -6.062 389 HG2 GLU 53 HG2 GLU 53 -22.883 27.434 -5.072 390 HG3 GLU 53 HG3 GLU 53 -21.539 27.958 -6.124 391 H TYR 54 H TYR 54 -20.112 24.553 -2.851 392 HA TYR 54 HA TYR 54 -17.657 23.602 -3.941 393 HB2 TYR 54 HB2 TYR 54 -17.105 24.655 -2.039 394 HB3 TYR 54 HB3 TYR 54 -18.665 24.452 -1.351 395 HD1 TYR 54 HD2 TYR 54 -15.332 23.003 -1.904 396 HD2 TYR 54 HD1 TYR 54 -19.062 22.647 0.226 397 HE1 TYR 54 HE2 TYR 54 -14.289 21.399 -0.387 398 HE2 TYR 54 HE1 TYR 54 -18.069 21.003 1.738 399 HH TYR 54 HH TYR 54 -14.573 20.054 1.510 400 H ASN 55 H ASN 55 -20.383 21.985 -2.341 401 HA ASN 55 HA ASN 55 -19.377 19.351 -2.551 402 HB2 ASN 55 HB2 ASN 55 -21.953 20.652 -1.987 403 HB3 ASN 55 HB3 ASN 55 -22.090 19.033 -2.610 404 HD21 ASN 55 HD22 ASN 55 -21.209 21.030 0.103 405 HD22 ASN 55 HD21 ASN 55 -20.807 19.699 1.190 406 H LEU 56 H LEU 56 -21.069 21.424 -4.937 407 HA LEU 56 HA LEU 56 -21.278 19.509 -7.058 408 HB2 LEU 56 HB2 LEU 56 -21.452 22.456 -6.713 409 HB3 LEU 56 HB3 LEU 56 -21.132 21.949 -8.312 410 HG LEU 56 HG LEU 56 -23.213 20.988 -8.628 411 HD11 LEU 56 HD11 LEU 56 -23.479 19.574 -6.629 412 HD12 LEU 56 HD12 LEU 56 -23.765 21.020 -5.637 413 HD13 LEU 56 HD13 LEU 56 -24.914 20.565 -6.905 414 HD21 LEU 56 HD21 LEU 56 -23.718 23.263 -6.661 415 HD22 LEU 56 HD22 LEU 56 -23.134 23.504 -8.306 416 HD23 LEU 56 HD23 LEU 56 -24.740 22.781 -8.035 417 H TYR 57 H TYR 57 -18.771 21.958 -6.227 418 HA TYR 57 HA TYR 57 -16.964 21.379 -8.286 419 HB2 TYR 57 HB2 TYR 57 -16.415 23.238 -7.117 420 HB3 TYR 57 HB3 TYR 57 -16.589 22.494 -5.544 421 HD1 TYR 57 HD1 TYR 57 -14.989 20.819 -4.742 422 HD2 TYR 57 HD2 TYR 57 -14.382 22.882 -8.478 423 HE1 TYR 57 HE1 TYR 57 -13.022 19.418 -5.175 424 HE2 TYR 57 HE2 TYR 57 -12.279 21.605 -8.840 425 HH TYR 57 HH TYR 57 -11.052 19.831 -8.188 426 H ARG 58 H ARG 58 -17.436 19.835 -5.155 427 HA ARG 58 HA ARG 58 -15.698 17.617 -5.354 428 HB2 ARG 58 HB2 ARG 58 -17.692 18.732 -3.620 429 HB3 ARG 58 HB3 ARG 58 -18.151 17.074 -3.826 430 HG2 ARG 58 HG2 ARG 58 -17.051 17.400 -1.828 431 HG3 ARG 58 HG3 ARG 58 -15.937 16.435 -2.830 432 HD2 ARG 58 HD2 ARG 58 -15.576 19.409 -2.946 433 HD3 ARG 58 HD3 ARG 58 -15.352 18.724 -1.354 434 HE ARG 58 HE ARG 58 -13.789 17.859 -3.776 435 HH11 ARG 58 HH21 ARG 58 -13.815 18.198 -0.262 436 HH12 ARG 58 HH22 ARG 58 -12.061 18.109 -0.215 437 HH21 ARG 58 HH11 ARG 58 -11.640 17.707 -3.544 438 HH22 ARG 58 HH12 ARG 58 -10.909 17.924 -1.944 439 H ASN 59 H ASN 59 -19.089 17.966 -6.330 440 HA ASN 59 HA ASN 59 -19.576 15.291 -7.052 441 HB2 ASN 59 HB2 ASN 59 -21.329 17.144 -6.697 442 HB3 ASN 59 HB3 ASN 59 -20.911 17.717 -8.311 443 HD21 ASN 59 HD22 ASN 59 -22.268 14.955 -6.508 444 HD22 ASN 59 HD21 ASN 59 -23.082 14.276 -7.908 445 H ALA 60 H ALA 60 -18.541 18.062 -9.001 446 HA ALA 60 HA ALA 60 -18.065 16.748 -11.465 447 HB1 ALA 60 HB1 ALA 60 -16.731 18.825 -11.887 448 HB2 ALA 60 HB2 ALA 60 -18.300 19.212 -11.109 449 HB3 ALA 60 HB3 ALA 60 -16.824 19.230 -10.154 450 H GLN 61 H GLN 61 -15.924 17.386 -8.692 451 HA GLN 61 HA GLN 61 -13.847 15.642 -9.573 452 HB2 GLN 61 HB2 GLN 61 -13.540 17.607 -8.302 453 HB3 GLN 61 HB3 GLN 61 -14.410 16.891 -6.927 454 HG2 GLN 61 HG2 GLN 61 -12.284 15.063 -7.723 455 HG3 GLN 61 HG3 GLN 61 -11.599 16.681 -7.619 456 HE21 GLN 61 HE22 GLN 61 -13.163 14.120 -5.778 457 HE22 GLN 61 HE21 GLN 61 -12.808 14.801 -4.188 458 H SER 62 H SER 62 -16.602 14.636 -9.233 459 HA SER 62 HA SER 62 -15.805 11.972 -8.463 460 HB2 SER 62 HB2 SER 62 -16.973 13.011 -6.497 461 HB3 SER 62 HB3 SER 62 -18.423 13.154 -7.511 462 HG SER 62 HG SER 62 -18.325 11.237 -6.154 463 H ASN 63 H ASN 63 -16.314 13.703 -10.860 464 HA ASN 63 HA ASN 63 -17.937 11.824 -12.385 465 HB2 ASN 63 HB2 ASN 63 -18.715 14.319 -11.987 466 HB3 ASN 63 HB3 ASN 63 -17.515 14.732 -13.181 467 HD21 ASN 63 HD22 ASN 63 -20.271 15.237 -13.562 468 HD22 ASN 63 HD21 ASN 63 -20.801 14.226 -14.897 469 H THR 64 H THR 64 -15.357 14.229 -12.685 470 HA THR 64 HA THR 64 -13.864 13.301 -14.800 471 HB THR 64 HB THR 64 -13.523 15.315 -13.612 472 HG1 THR 64 HG1 THR 64 -11.304 15.358 -13.621 473 HG21 THR 64 HG21 THR 64 -12.689 15.614 -11.472 474 HG22 THR 64 HG22 THR 64 -13.853 14.289 -11.277 475 HG23 THR 64 HG23 THR 64 -12.104 13.943 -11.338 476 H VAL 65 H VAL 65 -13.602 12.287 -11.542 477 HA VAL 65 HA VAL 65 -11.734 10.266 -11.451 478 HB VAL 65 HB VAL 65 -14.425 10.154 -10.062 479 HG11 VAL 65 HG11 VAL 65 -13.050 9.585 -8.074 480 HG12 VAL 65 HG12 VAL 65 -12.568 8.519 -9.413 481 HG13 VAL 65 HG13 VAL 65 -11.569 9.936 -8.981 482 HG21 VAL 65 HG21 VAL 65 -13.591 11.792 -8.386 483 HG22 VAL 65 HG22 VAL 65 -12.373 12.309 -9.568 484 HG23 VAL 65 HG23 VAL 65 -14.123 12.455 -9.930 485 H LYS 66 H LYS 66 -14.982 10.146 -12.705 486 HA LYS 66 HA LYS 66 -14.968 7.291 -13.329 487 HB2 LYS 66 HB2 LYS 66 -17.076 9.381 -12.818 488 HB3 LYS 66 HB3 LYS 66 -17.501 7.865 -13.615 489 HG2 LYS 66 HG2 LYS 66 -17.498 6.703 -11.684 490 HG3 LYS 66 HG3 LYS 66 -15.925 7.343 -11.181 491 HD2 LYS 66 HD2 LYS 66 -16.938 9.385 -10.371 492 HD3 LYS 66 HD3 LYS 66 -18.539 8.882 -10.963 493 HE2 LYS 66 HE2 LYS 66 -18.444 6.932 -9.389 494 HE3 LYS 66 HE3 LYS 66 -16.917 7.559 -8.746 495 HZ1 LYS 66 HZ1 LYS 66 -19.499 9.041 -8.725 496 HZ2 LYS 66 HZ2 LYS 66 -18.853 8.292 -7.426 497 HZ3 LYS 66 HZ3 LYS 66 -18.113 9.597 -8.081 498 H VAL 67 H VAL 67 -13.940 9.935 -14.786 499 HA VAL 67 HA VAL 67 -14.768 9.231 -17.494 500 HB VAL 67 HB VAL 67 -13.910 11.737 -16.107 501 HG11 VAL 67 HG11 VAL 67 -12.497 11.805 -17.981 502 HG12 VAL 67 HG12 VAL 67 -13.839 11.350 -19.078 503 HG13 VAL 67 HG13 VAL 67 -13.834 12.939 -18.186 504 HG21 VAL 67 HG21 VAL 67 -15.973 12.539 -16.861 505 HG22 VAL 67 HG22 VAL 67 -16.158 11.158 -18.013 506 HG23 VAL 67 HG23 VAL 67 -16.250 10.879 -16.270 507 H PHE 68 H PHE 68 -11.882 9.849 -15.470 508 HA PHE 68 HA PHE 68 -9.999 8.969 -17.420 509 HB2 PHE 68 HB2 PHE 68 -10.167 8.850 -14.379 510 HB3 PHE 68 HB3 PHE 68 -8.723 8.305 -15.255 511 HD1 PHE 68 HD1 PHE 68 -7.842 10.130 -17.087 512 HD2 PHE 68 HD2 PHE 68 -10.095 11.022 -13.518 513 HE1 PHE 68 HE1 PHE 68 -7.040 12.481 -17.160 514 HE2 PHE 68 HE2 PHE 68 -9.347 13.380 -13.629 515 HZ PHE 68 HZ PHE 68 -7.795 14.111 -15.438 516 H LYS 69 H LYS 69 -12.200 7.325 -15.272 517 HA LYS 69 HA LYS 69 -11.800 4.601 -15.807 518 HB2 LYS 69 HB2 LYS 69 -13.166 5.393 -14.017 519 HB3 LYS 69 HB3 LYS 69 -14.156 6.341 -15.113 520 HG2 LYS 69 HG2 LYS 69 -14.188 3.373 -15.506 521 HG3 LYS 69 HG3 LYS 69 -14.972 4.020 -14.068 522 HD2 LYS 69 HD2 LYS 69 -16.474 5.405 -15.315 523 HD3 LYS 69 HD3 LYS 69 -15.615 5.141 -16.832 524 HE2 LYS 69 HE2 LYS 69 -16.143 2.711 -16.712 525 HE3 LYS 69 HE3 LYS 69 -17.035 2.984 -15.208 526 HZ1 LYS 69 HZ1 LYS 69 -18.551 4.442 -16.455 527 HZ2 LYS 69 HZ2 LYS 69 -17.735 4.171 -17.846 528 HZ3 LYS 69 HZ3 LYS 69 -18.536 2.951 -17.116 529 H ASP 70 H ASP 70 -13.213 7.084 -17.902 530 HA ASP 70 HA ASP 70 -14.372 5.217 -19.751 531 HB2 ASP 70 HB2 ASP 70 -15.265 7.541 -19.304 532 HB3 ASP 70 HB3 ASP 70 -13.904 8.119 -20.276 533 H ILE 71 H ILE 71 -11.349 7.004 -19.525 534 HA ILE 71 HA ILE 71 -10.363 6.128 -22.049 535 HB ILE 71 HB ILE 71 -9.070 7.221 -19.495 536 HG12 ILE 71 HG12 ILE 71 -8.224 8.980 -21.042 537 HG13 ILE 71 HG13 ILE 71 -9.128 8.235 -22.372 538 HG21 ILE 71 HG21 ILE 71 -7.421 5.580 -20.185 539 HG22 ILE 71 HG22 ILE 71 -7.499 6.144 -21.877 540 HG23 ILE 71 HG23 ILE 71 -6.834 7.186 -20.598 541 HD11 ILE 71 HD11 ILE 71 -10.399 9.073 -19.748 542 HD12 ILE 71 HD12 ILE 71 -10.254 10.191 -21.136 543 HD13 ILE 71 HD13 ILE 71 -11.225 8.711 -21.286 544 H ASP 72 H ASP 72 -10.089 4.894 -18.761 545 HA ASP 72 HA ASP 72 -8.770 2.481 -19.374 546 HB2 ASP 72 HB2 ASP 72 -8.786 3.586 -17.292 547 HB3 ASP 72 HB3 ASP 72 -10.537 3.453 -17.168 548 H ALA 73 H ALA 73 -12.269 3.221 -19.358 549 HA ALA 73 HA ALA 73 -13.160 0.627 -19.981 550 HB1 ALA 73 HB1 ALA 73 -15.171 1.721 -20.880 551 HB2 ALA 73 HB2 ALA 73 -14.676 2.469 -19.354 552 HB3 ALA 73 HB3 ALA 73 -14.345 3.286 -20.899 553 H ALA 74 H ALA 74 -11.576 3.073 -22.079 554 HA ALA 74 HA ALA 74 -11.975 1.679 -24.524 555 HB1 ALA 74 HB1 ALA 74 -9.562 3.421 -24.015 556 HB2 ALA 74 HB2 ALA 74 -10.539 3.255 -25.472 557 HB3 ALA 74 HB3 ALA 74 -11.174 4.155 -24.070 558 H ILE 75 H ILE 75 -9.507 1.469 -21.975 559 HA ILE 75 HA ILE 75 -7.865 -0.498 -23.173 560 HB ILE 75 HB ILE 75 -8.234 -0.052 -20.197 561 HG12 ILE 75 HG12 ILE 75 -6.125 1.105 -22.057 562 HG13 ILE 75 HG13 ILE 75 -7.550 1.956 -21.580 563 HG21 ILE 75 HG21 ILE 75 -5.996 -1.088 -20.007 564 HG22 ILE 75 HG22 ILE 75 -7.156 -2.216 -20.683 565 HG23 ILE 75 HG23 ILE 75 -5.992 -1.407 -21.755 566 HD11 ILE 75 HD11 ILE 75 -5.239 1.057 -19.815 567 HD12 ILE 75 HD12 ILE 75 -5.764 2.709 -20.171 568 HD13 ILE 75 HD13 ILE 75 -6.764 1.663 -19.141 569 H LEU 76 H LEU 76 -10.715 -0.716 -21.041 570 HA LEU 76 HA LEU 76 -11.030 -3.548 -20.769 571 HB2 LEU 76 HB2 LEU 76 -12.966 -1.253 -20.781 572 HB3 LEU 76 HB3 LEU 76 -13.467 -2.868 -20.549 573 HG LEU 76 HG LEU 76 -12.637 -1.054 -18.568 574 HD11 LEU 76 HD11 LEU 76 -12.937 -4.053 -18.557 575 HD12 LEU 76 HD12 LEU 76 -13.036 -3.009 -17.099 576 HD13 LEU 76 HD13 LEU 76 -14.240 -2.825 -18.390 577 HD21 LEU 76 HD21 LEU 76 -10.218 -1.571 -18.856 578 HD22 LEU 76 HD22 LEU 76 -10.854 -2.124 -17.318 579 HD23 LEU 76 HD23 LEU 76 -10.569 -3.300 -18.615 580 H GLU 77 H GLU 77 -12.357 -1.343 -23.348 581 HA GLU 77 HA GLU 77 -13.448 -3.397 -24.945 582 HB2 GLU 77 HB2 GLU 77 -12.419 -0.651 -25.628 583 HB3 GLU 77 HB3 GLU 77 -13.064 -1.741 -26.852 584 HG2 GLU 77 HG2 GLU 77 -14.563 -0.781 -24.377 585 HG3 GLU 77 HG3 GLU 77 -14.756 -0.181 -26.015 586 H HIS 78 H HIS 78 -10.107 -2.134 -24.820 587 HA HIS 78 HA HIS 78 -9.052 -3.769 -26.931 588 HB2 HIS 78 HB2 HIS 78 -8.114 -1.620 -25.690 589 HB3 HIS 78 HB3 HIS 78 -7.404 -2.781 -24.592 590 HD1 HIS 78 HD1 HIS 78 -6.374 -4.965 -26.653 591 HD2 HIS 78 HD2 HIS 78 -6.103 -0.792 -27.107 592 HE1 HIS 78 HE1 HIS 78 -4.427 -4.545 -28.262 593 H HIS 79 H HIS 79 -9.845 -4.528 -23.616 594 HA HIS 79 HA HIS 79 -8.034 -6.693 -23.194 595 HB2 HIS 79 HB2 HIS 79 -9.372 -5.159 -21.556 596 HB3 HIS 79 HB3 HIS 79 -10.671 -6.330 -21.751 597 HD1 HIS 79 HD1 HIS 79 -9.077 -9.030 -21.452 598 HD2 HIS 79 HD2 HIS 79 -8.474 -5.543 -19.185 599 HE1 HIS 79 HE1 HIS 79 -8.013 -9.787 -19.246 600 H HIS 80 H HIS 80 -10.867 -6.665 -25.151 601 HA HIS 80 HA HIS 80 -11.953 -9.237 -24.715 602 HB2 HIS 80 HB2 HIS 80 -11.786 -7.507 -27.206 603 HB3 HIS 80 HB3 HIS 80 -12.644 -9.045 -27.167 604 HD1 HIS 80 HD1 HIS 80 -13.125 -5.457 -26.201 605 HD2 HIS 80 HD2 HIS 80 -14.809 -9.237 -25.445 606 HE1 HIS 80 HE1 HIS 80 -15.440 -5.027 -25.182 607 H HIS 81 H HIS 81 -11.651 -11.222 -25.520 608 HA HIS 81 HA HIS 81 -9.361 -11.876 -27.306 609 HB2 HIS 81 HB2 HIS 81 -10.005 -13.103 -24.588 610 HB3 HIS 81 HB3 HIS 81 -9.064 -13.938 -25.813 611 HD1 HIS 81 HD1 HIS 81 -8.734 -10.535 -23.888 612 HD2 HIS 81 HD2 HIS 81 -6.516 -13.636 -25.684 613 HE1 HIS 81 HE1 HIS 81 -6.295 -10.064 -23.361 614 H HIS 82 H HIS 82 -9.865 -13.487 -28.771 615 HA HIS 82 HA HIS 82 -12.625 -13.989 -29.313 616 HB2 HIS 82 HB2 HIS 82 -10.813 -13.845 -31.009 617 HB3 HIS 82 HB3 HIS 82 -10.154 -15.377 -30.427 618 HD1 HIS 82 HD1 HIS 82 -13.367 -14.019 -32.141 619 HD2 HIS 82 HD2 HIS 82 -11.246 -17.583 -31.406 620 HE1 HIS 82 HE1 HIS 82 -14.538 -15.837 -33.491 621 H HIS 83 H HIS 83 -13.970 -15.630 -28.837 622 HA HIS 83 HA HIS 83 -13.077 -18.236 -27.849 623 HB2 HIS 83 HB2 HIS 83 -13.107 -16.640 -25.848 624 HB3 HIS 83 HB3 HIS 83 -14.848 -16.501 -26.076 625 HD1 HIS 83 HD1 HIS 83 -15.041 -19.793 -26.733 626 HD2 HIS 83 HD2 HIS 83 -13.389 -17.783 -23.432 627 HE1 HIS 83 HE1 HIS 83 -15.045 -21.480 -24.789 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -5.742 -0.423 -11.388 2 H2 MET 1 H2 MET 1 -5.491 -1.946 -10.850 3 H3 MET 1 H3 MET 1 -5.500 -0.698 -9.789 4 HA MET 1 HA MET 1 -3.248 -1.488 -10.228 5 HB2 MET 1 HB2 MET 1 -3.754 -2.174 -12.580 6 HB3 MET 1 HB3 MET 1 -3.804 -0.471 -13.047 7 HG2 MET 1 HG2 MET 1 -1.443 -0.209 -12.402 8 HG3 MET 1 HG3 MET 1 -1.379 -1.887 -11.860 9 HE1 MET 1 HE1 MET 1 -1.336 -3.933 -15.149 10 HE2 MET 1 HE2 MET 1 -1.100 -3.945 -13.389 11 HE3 MET 1 HE3 MET 1 -2.719 -3.659 -14.072 12 H ALA 2 H ALA 2 -1.536 -0.011 -9.846 13 HA ALA 2 HA ALA 2 -2.001 2.909 -10.188 14 HB1 ALA 2 HB1 ALA 2 -2.988 2.262 -7.900 15 HB2 ALA 2 HB2 ALA 2 -1.390 1.564 -7.480 16 HB3 ALA 2 HB3 ALA 2 -1.535 3.286 -7.752 17 H THR 3 H THR 3 -0.409 4.214 -9.651 18 HA THR 3 HA THR 3 2.379 3.252 -9.932 19 HB THR 3 HB THR 3 2.777 5.729 -9.928 20 HG1 THR 3 HG1 THR 3 0.969 7.024 -10.483 21 HG21 THR 3 HG21 THR 3 1.987 5.935 -12.321 22 HG22 THR 3 HG22 THR 3 2.687 4.337 -11.973 23 HG23 THR 3 HG23 THR 3 0.908 4.529 -12.039 24 HA PRO 4 HA PRO 4 3.004 3.613 -5.740 25 HB2 PRO 4 HB2 PRO 4 5.704 4.771 -6.068 26 HB3 PRO 4 HB3 PRO 4 5.161 3.193 -5.383 27 HG2 PRO 4 HG2 PRO 4 6.379 3.408 -7.896 28 HG3 PRO 4 HG3 PRO 4 5.150 2.160 -7.477 29 HD2 PRO 4 HD2 PRO 4 4.717 4.660 -9.039 30 HD3 PRO 4 HD3 PRO 4 4.138 2.994 -9.221 31 H TRP 5 H TRP 5 1.665 4.988 -4.873 32 HA TRP 5 HA TRP 5 1.228 7.628 -5.487 33 HB2 TRP 5 HB2 TRP 5 -0.173 7.643 -3.410 34 HB3 TRP 5 HB3 TRP 5 -0.450 6.285 -4.484 35 HD1 TRP 5 HD1 TRP 5 0.721 7.122 -0.988 36 HE1 TRP 5 HE1 TRP 5 1.062 4.980 0.386 37 HE3 TRP 5 HE3 TRP 5 0.126 3.646 -4.723 38 HZ2 TRP 5 HZ2 TRP 5 1.151 2.135 -0.083 39 HZ3 TRP 5 HZ3 TRP 5 0.378 1.228 -4.227 40 HH2 TRP 5 HH2 TRP 5 0.889 0.460 -1.920 41 H SER 6 H SER 6 3.170 6.557 -2.681 42 HA SER 6 HA SER 6 3.320 9.114 -1.484 43 HB2 SER 6 HB2 SER 6 5.189 8.114 -0.142 44 HB3 SER 6 HB3 SER 6 3.768 7.061 -0.256 45 HG SER 6 HG SER 6 5.741 5.924 -0.637 46 H GLY 7 H GLY 7 4.860 8.298 -4.367 47 HA2 GLY 7 HA2 GLY 7 6.677 10.675 -4.158 48 HA3 GLY 7 HA3 GLY 7 7.161 9.198 -4.994 49 H TYR 8 H TYR 8 3.821 10.234 -5.277 50 HA TYR 8 HA TYR 8 4.222 11.670 -7.777 51 HB2 TYR 8 HB2 TYR 8 4.271 9.255 -8.398 52 HB3 TYR 8 HB3 TYR 8 2.714 9.027 -7.622 53 HD1 TYR 8 HD1 TYR 8 4.317 11.221 -10.247 54 HD2 TYR 8 HD2 TYR 8 0.823 9.004 -9.016 55 HE1 TYR 8 HE1 TYR 8 3.203 11.766 -12.412 56 HE2 TYR 8 HE2 TYR 8 -0.275 9.529 -11.186 57 HH TYR 8 HH TYR 8 -0.094 10.602 -13.204 58 H LEU 9 H LEU 9 1.975 10.424 -5.376 59 HA LEU 9 HA LEU 9 -0.449 11.548 -6.103 60 HB2 LEU 9 HB2 LEU 9 -0.064 9.855 -4.407 61 HB3 LEU 9 HB3 LEU 9 0.803 10.989 -3.385 62 HG LEU 9 HG LEU 9 -1.439 10.315 -2.630 63 HD11 LEU 9 HD11 LEU 9 -2.095 12.408 -1.728 64 HD12 LEU 9 HD12 LEU 9 -0.322 12.367 -1.835 65 HD13 LEU 9 HD13 LEU 9 -1.289 13.335 -2.982 66 HD21 LEU 9 HD21 LEU 9 -3.446 11.272 -3.622 67 HD22 LEU 9 HD22 LEU 9 -2.480 11.960 -4.952 68 HD23 LEU 9 HD23 LEU 9 -2.598 10.204 -4.750 69 H ASP 10 H ASP 10 2.224 13.155 -4.430 70 HA ASP 10 HA ASP 10 0.862 15.273 -3.260 71 HB2 ASP 10 HB2 ASP 10 3.222 14.620 -2.851 72 HB3 ASP 10 HB3 ASP 10 3.677 15.279 -4.423 73 H ASP 11 H ASP 11 1.841 15.096 -6.657 74 HA ASP 11 HA ASP 11 0.919 17.864 -7.199 75 HB2 ASP 11 HB2 ASP 11 2.914 16.916 -8.353 76 HB3 ASP 11 HB3 ASP 11 1.891 15.667 -9.064 77 H VAL 12 H VAL 12 -0.206 14.585 -7.636 78 HA VAL 12 HA VAL 12 -2.353 15.115 -9.408 79 HB VAL 12 HB VAL 12 -1.669 12.810 -7.545 80 HG11 VAL 12 HG11 VAL 12 -3.222 11.434 -8.921 81 HG12 VAL 12 HG12 VAL 12 -4.030 12.617 -7.889 82 HG13 VAL 12 HG13 VAL 12 -3.861 12.933 -9.641 83 HG21 VAL 12 HG21 VAL 12 -1.381 13.175 -10.554 84 HG22 VAL 12 HG22 VAL 12 -0.066 13.304 -9.372 85 HG23 VAL 12 HG23 VAL 12 -0.886 11.749 -9.606 86 H SER 13 H SER 13 -2.323 14.401 -5.929 87 HA SER 13 HA SER 13 -5.088 14.898 -5.473 88 HB2 SER 13 HB2 SER 13 -3.701 13.515 -4.050 89 HB3 SER 13 HB3 SER 13 -2.732 14.929 -3.565 90 HG SER 13 HG SER 13 -4.391 14.384 -2.032 91 H ALA 14 H ALA 14 -2.203 17.006 -5.361 92 HA ALA 14 HA ALA 14 -3.507 19.056 -4.035 93 HB1 ALA 14 HB1 ALA 14 -1.158 19.322 -5.903 94 HB2 ALA 14 HB2 ALA 14 -1.777 20.584 -4.798 95 HB3 ALA 14 HB3 ALA 14 -1.152 19.072 -4.126 96 H LYS 15 H LYS 15 -3.698 18.190 -7.463 97 HA LYS 15 HA LYS 15 -4.838 20.548 -8.492 98 HB2 LYS 15 HB2 LYS 15 -5.075 19.462 -10.397 99 HB3 LYS 15 HB3 LYS 15 -4.071 18.248 -9.619 100 HG2 LYS 15 HG2 LYS 15 -6.257 17.062 -8.964 101 HG3 LYS 15 HG3 LYS 15 -7.104 18.199 -10.006 102 HD2 LYS 15 HD2 LYS 15 -4.865 16.316 -10.862 103 HD3 LYS 15 HD3 LYS 15 -6.597 16.024 -11.097 104 HE2 LYS 15 HE2 LYS 15 -6.740 18.091 -12.499 105 HE3 LYS 15 HE3 LYS 15 -4.999 18.329 -12.305 106 HZ1 LYS 15 HZ1 LYS 15 -6.257 15.972 -13.606 107 HZ2 LYS 15 HZ2 LYS 15 -5.501 17.191 -14.384 108 HZ3 LYS 15 HZ3 LYS 15 -4.647 16.189 -13.420 109 H PHE 16 H PHE 16 -6.322 17.946 -6.648 110 HA PHE 16 HA PHE 16 -9.009 18.947 -6.716 111 HB2 PHE 16 HB2 PHE 16 -7.686 17.201 -4.588 112 HB3 PHE 16 HB3 PHE 16 -9.379 17.543 -4.738 113 HD1 PHE 16 HD1 PHE 16 -6.629 16.113 -6.942 114 HD2 PHE 16 HD2 PHE 16 -10.642 15.742 -5.419 115 HE1 PHE 16 HE1 PHE 16 -6.933 14.051 -8.265 116 HE2 PHE 16 HE2 PHE 16 -10.920 13.639 -6.689 117 HZ PHE 16 HZ PHE 16 -9.084 12.803 -8.151 118 H ASP 17 H ASP 17 -6.320 19.099 -4.355 119 HA ASP 17 HA ASP 17 -7.656 20.557 -2.446 120 HB2 ASP 17 HB2 ASP 17 -5.517 19.235 -2.213 121 HB3 ASP 17 HB3 ASP 17 -4.659 20.602 -2.932 122 H THR 18 H THR 18 -5.964 21.959 -5.200 123 HA THR 18 HA THR 18 -6.351 24.648 -4.166 124 HB THR 18 HB THR 18 -4.295 23.844 -5.367 125 HG1 THR 18 HG1 THR 18 -4.014 25.865 -6.298 126 HG21 THR 18 HG21 THR 18 -5.954 24.450 -7.844 127 HG22 THR 18 HG22 THR 18 -4.244 23.958 -7.780 128 HG23 THR 18 HG23 THR 18 -5.516 22.810 -7.317 129 H GLY 19 H GLY 19 -7.904 22.558 -6.561 130 HA2 GLY 19 HA2 GLY 19 -9.529 24.656 -7.775 131 HA3 GLY 19 HA3 GLY 19 -9.766 22.920 -7.942 132 H VAL 20 H VAL 20 -10.101 22.127 -5.273 133 HA VAL 20 HA VAL 20 -12.722 22.910 -4.559 134 HB VAL 20 HB VAL 20 -11.091 20.931 -3.706 135 HG11 VAL 20 HG11 VAL 20 -9.570 22.252 -2.407 136 HG12 VAL 20 HG12 VAL 20 -10.894 22.740 -1.317 137 HG13 VAL 20 HG13 VAL 20 -10.419 21.035 -1.454 138 HG21 VAL 20 HG21 VAL 20 -13.220 22.223 -1.935 139 HG22 VAL 20 HG22 VAL 20 -13.623 21.239 -3.326 140 HG23 VAL 20 HG23 VAL 20 -12.793 20.487 -1.955 141 H ASP 21 H ASP 21 -9.632 24.181 -3.507 142 HA ASP 21 HA ASP 21 -10.743 25.922 -1.634 143 HB2 ASP 21 HB2 ASP 21 -8.526 25.288 -1.409 144 HB3 ASP 21 HB3 ASP 21 -8.139 25.729 -3.049 145 H ASN 22 H ASN 22 -10.540 26.404 -5.127 146 HA ASN 22 HA ASN 22 -11.192 29.189 -4.954 147 HB2 ASN 22 HB2 ASN 22 -11.853 27.063 -7.085 148 HB3 ASN 22 HB3 ASN 22 -12.095 28.792 -7.303 149 HD21 ASN 22 HD22 ASN 22 -10.306 26.791 -8.745 150 HD22 ASN 22 HD21 ASN 22 -8.727 27.563 -8.701 151 H LEU 23 H LEU 23 -13.094 26.249 -4.675 152 HA LEU 23 HA LEU 23 -15.580 27.721 -4.646 153 HB2 LEU 23 HB2 LEU 23 -14.968 25.109 -5.320 154 HB3 LEU 23 HB3 LEU 23 -15.705 24.944 -3.744 155 HG LEU 23 HG LEU 23 -17.345 24.857 -5.501 156 HD11 LEU 23 HD11 LEU 23 -17.831 26.258 -3.348 157 HD12 LEU 23 HD12 LEU 23 -17.817 27.642 -4.436 158 HD13 LEU 23 HD13 LEU 23 -18.940 26.295 -4.707 159 HD21 LEU 23 HD21 LEU 23 -18.211 26.705 -6.828 160 HD22 LEU 23 HD22 LEU 23 -16.644 27.532 -6.592 161 HD23 LEU 23 HD23 LEU 23 -16.696 25.933 -7.391 162 H GLN 24 H GLN 24 -13.555 26.042 -2.305 163 HA GLN 24 HA GLN 24 -14.876 26.543 0.071 164 HB2 GLN 24 HB2 GLN 24 -12.663 25.233 -0.443 165 HB3 GLN 24 HB3 GLN 24 -11.893 26.821 -0.189 166 HG2 GLN 24 HG2 GLN 24 -11.678 25.678 1.782 167 HG3 GLN 24 HG3 GLN 24 -12.900 26.945 2.035 168 HE21 GLN 24 HE22 GLN 24 -14.692 26.264 3.205 169 HE22 GLN 24 HE21 GLN 24 -15.268 24.604 3.230 170 H THR 25 H THR 25 -12.449 28.690 -1.560 171 HA THR 25 HA THR 25 -12.468 30.743 0.337 172 HB THR 25 HB THR 25 -10.876 30.351 -1.528 173 HG1 THR 25 HG1 THR 25 -10.388 32.549 -1.638 174 HG21 THR 25 HG21 THR 25 -11.078 31.381 -3.642 175 HG22 THR 25 HG22 THR 25 -12.398 30.254 -3.397 176 HG23 THR 25 HG23 THR 25 -12.703 32.010 -3.261 177 H GLN 26 H GLN 26 -14.416 30.336 -2.548 178 HA GLN 26 HA GLN 26 -16.189 32.510 -2.215 179 HB2 GLN 26 HB2 GLN 26 -15.983 30.063 -3.880 180 HB3 GLN 26 HB3 GLN 26 -17.609 30.297 -3.359 181 HG2 GLN 26 HG2 GLN 26 -17.243 31.354 -5.519 182 HG3 GLN 26 HG3 GLN 26 -17.674 32.562 -4.305 183 HE21 GLN 26 HE22 GLN 26 -14.511 31.015 -5.396 184 HE22 GLN 26 HE21 GLN 26 -13.751 32.581 -5.637 185 H VAL 27 H VAL 27 -16.807 29.132 -1.023 186 HA VAL 27 HA VAL 27 -19.197 29.898 0.230 187 HB VAL 27 HB VAL 27 -19.379 27.933 1.255 188 HG11 VAL 27 HG11 VAL 27 -18.691 27.676 -1.310 189 HG12 VAL 27 HG12 VAL 27 -17.271 26.859 -0.605 190 HG13 VAL 27 HG13 VAL 27 -18.887 26.250 -0.256 191 HG21 VAL 27 HG21 VAL 27 -16.433 27.469 1.572 192 HG22 VAL 27 HG22 VAL 27 -17.639 27.808 2.841 193 HG23 VAL 27 HG23 VAL 27 -17.719 26.301 1.935 194 H THR 28 H THR 28 -15.865 29.905 1.387 195 HA THR 28 HA THR 28 -16.414 30.536 4.082 196 HB THR 28 HB THR 28 -13.963 31.343 2.553 197 HG1 THR 28 HG1 THR 28 -14.214 29.113 2.392 198 HG21 THR 28 HG21 THR 28 -12.946 30.933 4.872 199 HG22 THR 28 HG22 THR 28 -13.928 32.405 4.600 200 HG23 THR 28 HG23 THR 28 -14.652 31.010 5.453 201 H GLU 29 H GLU 29 -16.046 32.582 1.166 202 HA GLU 29 HA GLU 29 -16.061 34.928 2.753 203 HB2 GLU 29 HB2 GLU 29 -16.432 34.505 -0.170 204 HB3 GLU 29 HB3 GLU 29 -16.537 36.065 0.608 205 HG2 GLU 29 HG2 GLU 29 -14.348 35.798 1.670 206 HG3 GLU 29 HG3 GLU 29 -14.080 34.309 0.818 207 H ALA 30 H ALA 30 -18.661 32.933 1.282 208 HA ALA 30 HA ALA 30 -20.855 34.652 1.979 209 HB1 ALA 30 HB1 ALA 30 -21.065 32.686 0.463 210 HB2 ALA 30 HB2 ALA 30 -20.719 31.605 1.828 211 HB3 ALA 30 HB3 ALA 30 -22.171 32.613 1.864 212 H LEU 31 H LEU 31 -19.083 32.125 3.683 213 HA LEU 31 HA LEU 31 -20.334 32.374 6.197 214 HB2 LEU 31 HB2 LEU 31 -18.886 30.482 5.325 215 HB3 LEU 31 HB3 LEU 31 -17.518 31.563 5.526 216 HG LEU 31 HG LEU 31 -18.255 31.767 8.016 217 HD11 LEU 31 HD11 LEU 31 -19.542 29.999 8.886 218 HD12 LEU 31 HD12 LEU 31 -20.494 30.605 7.509 219 HD13 LEU 31 HD13 LEU 31 -19.544 29.124 7.324 220 HD21 LEU 31 HD21 LEU 31 -16.935 29.818 8.503 221 HD22 LEU 31 HD22 LEU 31 -17.072 29.290 6.760 222 HD23 LEU 31 HD23 LEU 31 -16.239 30.801 7.198 223 H ASP 32 H ASP 32 -17.546 34.210 4.783 224 HA ASP 32 HA ASP 32 -16.820 35.597 7.089 225 HB2 ASP 32 HB2 ASP 32 -15.468 35.755 5.125 226 HB3 ASP 32 HB3 ASP 32 -16.761 36.388 4.139 227 H LYS 33 H LYS 33 -19.613 36.020 4.968 228 HA LYS 33 HA LYS 33 -20.714 38.244 6.375 229 HB2 LYS 33 HB2 LYS 33 -22.395 36.474 4.748 230 HB3 LYS 33 HB3 LYS 33 -22.415 38.231 5.030 231 HG2 LYS 33 HG2 LYS 33 -20.924 36.546 3.082 232 HG3 LYS 33 HG3 LYS 33 -21.939 37.924 2.772 233 HD2 LYS 33 HD2 LYS 33 -20.128 39.359 3.864 234 HD3 LYS 33 HD3 LYS 33 -19.068 37.917 3.785 235 HE2 LYS 33 HE2 LYS 33 -19.405 37.689 1.412 236 HE3 LYS 33 HE3 LYS 33 -20.394 39.166 1.387 237 HZ1 LYS 33 HZ1 LYS 33 -18.455 40.404 2.175 238 HZ2 LYS 33 HZ2 LYS 33 -17.555 39.049 2.283 239 HZ3 LYS 33 HZ3 LYS 33 -18.036 39.601 0.816 240 H LEU 34 H LEU 34 -21.304 34.722 6.387 241 HA LEU 34 HA LEU 34 -23.390 34.843 8.253 242 HB2 LEU 34 HB2 LEU 34 -22.510 33.064 6.554 243 HB3 LEU 34 HB3 LEU 34 -21.944 32.267 8.046 244 HG LEU 34 HG LEU 34 -24.788 33.234 7.478 245 HD11 LEU 34 HD11 LEU 34 -25.332 30.962 6.976 246 HD12 LEU 34 HD12 LEU 34 -24.073 31.626 5.936 247 HD13 LEU 34 HD13 LEU 34 -23.625 30.481 7.234 248 HD21 LEU 34 HD21 LEU 34 -24.306 32.662 9.883 249 HD22 LEU 34 HD22 LEU 34 -25.685 31.859 9.082 250 HD23 LEU 34 HD23 LEU 34 -24.133 30.991 9.398 251 H ALA 35 H ALA 35 -19.972 34.821 8.729 252 HA ALA 35 HA ALA 35 -20.034 34.336 11.581 253 HB1 ALA 35 HB1 ALA 35 -17.854 35.314 9.694 254 HB2 ALA 35 HB2 ALA 35 -17.631 34.774 11.381 255 HB3 ALA 35 HB3 ALA 35 -18.189 33.624 10.136 256 H ALA 36 H ALA 36 -20.490 37.068 9.414 257 HA ALA 36 HA ALA 36 -20.022 39.216 11.313 258 HB1 ALA 36 HB1 ALA 36 -19.476 39.466 8.927 259 HB2 ALA 36 HB2 ALA 36 -21.182 39.297 8.475 260 HB3 ALA 36 HB3 ALA 36 -20.656 40.668 9.458 261 H LYS 37 H LYS 37 -22.948 37.984 9.704 262 HA LYS 37 HA LYS 37 -24.759 39.109 11.848 263 HB2 LYS 37 HB2 LYS 37 -24.414 40.498 9.585 264 HB3 LYS 37 HB3 LYS 37 -25.287 39.172 8.896 265 HG2 LYS 37 HG2 LYS 37 -27.185 39.726 10.544 266 HG3 LYS 37 HG3 LYS 37 -26.248 41.175 10.971 267 HD2 LYS 37 HD2 LYS 37 -26.249 41.875 8.576 268 HD3 LYS 37 HD3 LYS 37 -27.127 40.394 8.148 269 HE2 LYS 37 HE2 LYS 37 -28.911 41.125 9.834 270 HE3 LYS 37 HE3 LYS 37 -28.054 42.665 9.956 271 HZ1 LYS 37 HZ1 LYS 37 -29.302 41.514 7.514 272 HZ2 LYS 37 HZ2 LYS 37 -29.844 42.821 8.333 273 HZ3 LYS 37 HZ3 LYS 37 -28.431 42.915 7.513 274 HA PRO 38 HA PRO 38 -24.555 34.735 10.183 275 HB2 PRO 38 HB2 PRO 38 -25.727 33.684 12.696 276 HB3 PRO 38 HB3 PRO 38 -24.261 33.255 11.785 277 HG2 PRO 38 HG2 PRO 38 -24.558 35.159 14.004 278 HG3 PRO 38 HG3 PRO 38 -23.043 34.561 13.267 279 HD2 PRO 38 HD2 PRO 38 -24.050 37.146 13.009 280 HD3 PRO 38 HD3 PRO 38 -22.908 36.403 11.856 281 H SER 39 H SER 39 -27.677 34.518 11.940 282 HA SER 39 HA SER 39 -28.465 32.981 9.679 283 HB2 SER 39 HB2 SER 39 -30.462 32.470 10.872 284 HB3 SER 39 HB3 SER 39 -29.012 32.200 11.809 285 HG SER 39 HG SER 39 -30.915 34.309 12.094 286 H ASP 40 H ASP 40 -28.168 36.107 9.604 287 HA ASP 40 HA ASP 40 -30.489 37.255 8.468 288 HB2 ASP 40 HB2 ASP 40 -28.523 38.614 8.825 289 HB3 ASP 40 HB3 ASP 40 -27.570 37.632 7.773 290 HA PRO 41 HA PRO 41 -30.679 33.796 5.741 291 HB2 PRO 41 HB2 PRO 41 -33.074 34.261 4.443 292 HB3 PRO 41 HB3 PRO 41 -32.921 33.665 6.134 293 HG2 PRO 41 HG2 PRO 41 -33.331 36.521 5.108 294 HG3 PRO 41 HG3 PRO 41 -34.257 35.689 6.414 295 HD2 PRO 41 HD2 PRO 41 -32.207 37.373 6.960 296 HD3 PRO 41 HD3 PRO 41 -32.484 35.893 7.932 297 H ALA 42 H ALA 42 -30.833 37.082 4.427 298 HA ALA 42 HA ALA 42 -30.598 36.329 1.710 299 HB1 ALA 42 HB1 ALA 42 -31.378 38.483 2.582 300 HB2 ALA 42 HB2 ALA 42 -29.736 38.866 3.142 301 HB3 ALA 42 HB3 ALA 42 -30.055 38.686 1.397 302 H LEU 43 H LEU 43 -28.060 37.028 4.213 303 HA LEU 43 HA LEU 43 -25.922 36.144 2.418 304 HB2 LEU 43 HB2 LEU 43 -24.460 36.753 4.106 305 HB3 LEU 43 HB3 LEU 43 -25.718 37.986 4.090 306 HG LEU 43 HG LEU 43 -26.702 36.546 6.071 307 HD11 LEU 43 HD11 LEU 43 -24.858 34.719 5.793 308 HD12 LEU 43 HD12 LEU 43 -23.779 36.001 6.250 309 HD13 LEU 43 HD13 LEU 43 -25.061 35.489 7.393 310 HD21 LEU 43 HD21 LEU 43 -25.859 38.724 6.595 311 HD22 LEU 43 HD22 LEU 43 -25.080 37.545 7.705 312 HD23 LEU 43 HD23 LEU 43 -24.165 38.181 6.325 313 H LEU 44 H LEU 44 -27.595 34.637 5.254 314 HA LEU 44 HA LEU 44 -25.935 32.265 5.282 315 HB2 LEU 44 HB2 LEU 44 -26.973 32.407 7.238 316 HB3 LEU 44 HB3 LEU 44 -28.307 33.247 6.694 317 HG LEU 44 HG LEU 44 -29.088 31.353 7.695 318 HD11 LEU 44 HD11 LEU 44 -29.314 30.211 4.907 319 HD12 LEU 44 HD12 LEU 44 -30.503 30.265 6.205 320 HD13 LEU 44 HD13 LEU 44 -30.133 31.749 5.306 321 HD21 LEU 44 HD21 LEU 44 -27.188 30.011 7.771 322 HD22 LEU 44 HD22 LEU 44 -28.506 29.067 7.064 323 HD23 LEU 44 HD23 LEU 44 -27.240 29.703 5.973 324 H ALA 45 H ALA 45 -28.923 33.039 3.353 325 HA ALA 45 HA ALA 45 -28.854 30.377 2.482 326 HB1 ALA 45 HB1 ALA 45 -30.651 30.971 0.884 327 HB2 ALA 45 HB2 ALA 45 -30.970 31.661 2.485 328 HB3 ALA 45 HB3 ALA 45 -30.348 32.698 1.172 329 H ALA 46 H ALA 46 -27.265 33.284 1.293 330 HA ALA 46 HA ALA 46 -26.348 32.190 -1.178 331 HB1 ALA 46 HB1 ALA 46 -24.701 33.967 -1.096 332 HB2 ALA 46 HB2 ALA 46 -26.314 34.593 -0.689 333 HB3 ALA 46 HB3 ALA 46 -25.114 34.337 0.603 334 H TYR 47 H TYR 47 -25.108 32.097 2.193 335 HA TYR 47 HA TYR 47 -22.723 30.627 1.741 336 HB2 TYR 47 HB2 TYR 47 -23.449 31.716 3.920 337 HB3 TYR 47 HB3 TYR 47 -24.654 30.572 4.027 338 HD1 TYR 47 HD2 TYR 47 -20.939 30.276 3.519 339 HD2 TYR 47 HD1 TYR 47 -24.514 28.705 5.337 340 HE1 TYR 47 HE2 TYR 47 -19.624 28.404 4.476 341 HE2 TYR 47 HE1 TYR 47 -23.181 26.870 6.358 342 HH TYR 47 HH TYR 47 -19.666 26.504 5.767 343 H GLN 48 H GLN 48 -25.944 29.479 2.666 344 HA GLN 48 HA GLN 48 -25.151 26.841 2.482 345 HB2 GLN 48 HB2 GLN 48 -27.310 26.169 3.042 346 HB3 GLN 48 HB3 GLN 48 -26.979 27.714 3.795 347 HG2 GLN 48 HG2 GLN 48 -29.041 28.115 3.095 348 HG3 GLN 48 HG3 GLN 48 -28.111 28.670 1.707 349 HE21 GLN 48 HE22 GLN 48 -29.308 28.281 -0.130 350 HE22 GLN 48 HE21 GLN 48 -30.085 26.738 -0.467 351 H SER 49 H SER 49 -26.262 28.986 0.032 352 HA SER 49 HA SER 49 -26.605 27.152 -2.097 353 HB2 SER 49 HB2 SER 49 -27.127 29.757 -2.101 354 HB3 SER 49 HB3 SER 49 -25.411 29.988 -2.455 355 HG SER 49 HG SER 49 -27.373 28.613 -4.004 356 H LYS 50 H LYS 50 -23.748 29.073 -1.116 357 HA LYS 50 HA LYS 50 -21.988 27.950 -3.045 358 HB2 LYS 50 HB2 LYS 50 -21.478 29.520 -0.427 359 HB3 LYS 50 HB3 LYS 50 -20.248 29.094 -1.605 360 HG2 LYS 50 HG2 LYS 50 -22.583 30.330 -2.944 361 HG3 LYS 50 HG3 LYS 50 -21.898 31.344 -1.693 362 HD2 LYS 50 HD2 LYS 50 -20.869 31.876 -3.724 363 HD3 LYS 50 HD3 LYS 50 -19.683 31.095 -2.641 364 HE2 LYS 50 HE2 LYS 50 -19.143 29.722 -4.324 365 HE3 LYS 50 HE3 LYS 50 -20.671 28.944 -4.042 366 HZ1 LYS 50 HZ1 LYS 50 -20.422 29.647 -6.398 367 HZ2 LYS 50 HZ2 LYS 50 -21.673 30.458 -5.723 368 HZ3 LYS 50 HZ3 LYS 50 -20.242 31.203 -5.956 369 H LEU 51 H LEU 51 -22.642 27.023 0.248 370 HA LEU 51 HA LEU 51 -20.877 24.862 0.691 371 HB2 LEU 51 HB2 LEU 51 -22.085 25.818 2.424 372 HB3 LEU 51 HB3 LEU 51 -23.552 25.930 1.505 373 HG LEU 51 HG LEU 51 -22.596 23.491 2.987 374 HD11 LEU 51 HD11 LEU 51 -23.679 25.714 4.029 375 HD12 LEU 51 HD12 LEU 51 -25.183 25.051 3.382 376 HD13 LEU 51 HD13 LEU 51 -24.247 24.109 4.551 377 HD21 LEU 51 HD21 LEU 51 -25.072 23.899 1.231 378 HD22 LEU 51 HD22 LEU 51 -23.886 22.572 1.140 379 HD23 LEU 51 HD23 LEU 51 -24.981 22.676 2.511 380 H SER 52 H SER 52 -23.971 25.010 -1.111 381 HA SER 52 HA SER 52 -23.829 22.255 -1.900 382 HB2 SER 52 HB2 SER 52 -25.451 24.452 -3.196 383 HB3 SER 52 HB3 SER 52 -25.628 22.704 -3.354 384 HG SER 52 HG SER 52 -26.093 24.274 -1.019 385 H GLU 53 H GLU 53 -22.992 25.354 -3.546 386 HA GLU 53 HA GLU 53 -22.236 24.288 -6.017 387 HB2 GLU 53 HB2 GLU 53 -21.029 26.595 -4.569 388 HB3 GLU 53 HB3 GLU 53 -20.677 26.067 -6.232 389 HG2 GLU 53 HG2 GLU 53 -23.158 27.410 -5.258 390 HG3 GLU 53 HG3 GLU 53 -21.797 27.986 -6.261 391 H TYR 54 H TYR 54 -20.404 24.552 -2.998 392 HA TYR 54 HA TYR 54 -17.939 23.622 -4.074 393 HB2 TYR 54 HB2 TYR 54 -17.380 24.647 -2.183 394 HB3 TYR 54 HB3 TYR 54 -18.947 24.465 -1.495 395 HD1 TYR 54 HD2 TYR 54 -15.576 23.126 -1.877 396 HD2 TYR 54 HD1 TYR 54 -19.422 22.537 -0.026 397 HE1 TYR 54 HE2 TYR 54 -14.565 21.562 -0.297 398 HE2 TYR 54 HE1 TYR 54 -18.451 20.927 1.537 399 HH TYR 54 HH TYR 54 -14.908 20.171 1.541 400 H ASN 55 H ASN 55 -20.707 21.912 -2.593 401 HA ASN 55 HA ASN 55 -19.482 19.376 -2.851 402 HB2 ASN 55 HB2 ASN 55 -21.839 20.247 -1.688 403 HB3 ASN 55 HB3 ASN 55 -22.363 19.358 -3.129 404 HD21 ASN 55 HD22 ASN 55 -21.050 17.219 -3.517 405 HD22 ASN 55 HD21 ASN 55 -20.985 16.205 -2.075 406 H LEU 56 H LEU 56 -21.239 21.433 -5.189 407 HA LEU 56 HA LEU 56 -21.432 19.531 -7.343 408 HB2 LEU 56 HB2 LEU 56 -21.622 22.484 -6.967 409 HB3 LEU 56 HB3 LEU 56 -21.314 21.997 -8.563 410 HG LEU 56 HG LEU 56 -23.390 20.987 -8.864 411 HD11 LEU 56 HD11 LEU 56 -23.638 19.625 -6.821 412 HD12 LEU 56 HD12 LEU 56 -23.945 21.094 -5.872 413 HD13 LEU 56 HD13 LEU 56 -25.083 20.591 -7.133 414 HD21 LEU 56 HD21 LEU 56 -23.326 23.500 -8.627 415 HD22 LEU 56 HD22 LEU 56 -24.924 22.786 -8.298 416 HD23 LEU 56 HD23 LEU 56 -23.878 23.323 -6.962 417 H TYR 57 H TYR 57 -18.999 22.034 -6.473 418 HA TYR 57 HA TYR 57 -17.107 21.471 -8.457 419 HB2 TYR 57 HB2 TYR 57 -16.569 23.307 -7.234 420 HB3 TYR 57 HB3 TYR 57 -16.822 22.528 -5.686 421 HD1 TYR 57 HD1 TYR 57 -15.278 20.811 -4.853 422 HD2 TYR 57 HD2 TYR 57 -14.454 22.957 -8.498 423 HE1 TYR 57 HE1 TYR 57 -13.138 19.612 -5.048 424 HE2 TYR 57 HE2 TYR 57 -12.213 21.858 -8.626 425 HH TYR 57 HH TYR 57 -11.139 19.485 -6.177 426 H ARG 58 H ARG 58 -17.770 19.862 -5.387 427 HA ARG 58 HA ARG 58 -15.937 17.718 -5.637 428 HB2 ARG 58 HB2 ARG 58 -17.758 18.768 -3.723 429 HB3 ARG 58 HB3 ARG 58 -18.432 17.200 -4.053 430 HG2 ARG 58 HG2 ARG 58 -17.083 16.997 -2.165 431 HG3 ARG 58 HG3 ARG 58 -16.132 16.252 -3.478 432 HD2 ARG 58 HD2 ARG 58 -15.064 18.624 -3.731 433 HD3 ARG 58 HD3 ARG 58 -15.775 18.999 -2.174 434 HE ARG 58 HE ARG 58 -13.504 17.205 -2.744 435 HH11 ARG 58 HH21 ARG 58 -15.789 18.125 -0.244 436 HH12 ARG 58 HH22 ARG 58 -14.810 17.436 1.018 437 HH21 ARG 58 HH11 ARG 58 -12.298 16.386 -1.078 438 HH22 ARG 58 HH12 ARG 58 -12.883 16.497 0.555 439 H ASN 59 H ASN 59 -19.321 17.965 -6.643 440 HA ASN 59 HA ASN 59 -19.738 15.275 -7.334 441 HB2 ASN 59 HB2 ASN 59 -21.519 17.125 -7.171 442 HB3 ASN 59 HB3 ASN 59 -20.949 17.698 -8.731 443 HD21 ASN 59 HD22 ASN 59 -22.685 17.206 -10.072 444 HD22 ASN 59 HD21 ASN 59 -23.314 15.576 -10.242 445 H ALA 60 H ALA 60 -18.620 18.013 -9.261 446 HA ALA 60 HA ALA 60 -17.843 16.630 -11.629 447 HB1 ALA 60 HB1 ALA 60 -18.322 19.095 -11.411 448 HB2 ALA 60 HB2 ALA 60 -17.010 19.269 -10.262 449 HB3 ALA 60 HB3 ALA 60 -16.627 18.843 -11.953 450 H GLN 61 H GLN 61 -15.946 17.654 -8.788 451 HA GLN 61 HA GLN 61 -13.771 15.979 -9.557 452 HB2 GLN 61 HB2 GLN 61 -13.688 18.202 -8.518 453 HB3 GLN 61 HB3 GLN 61 -13.974 17.372 -6.965 454 HG2 GLN 61 HG2 GLN 61 -11.598 17.378 -7.076 455 HG3 GLN 61 HG3 GLN 61 -12.000 15.812 -7.784 456 HE21 GLN 61 HE22 GLN 61 -9.722 16.045 -8.605 457 HE22 GLN 61 HE21 GLN 61 -9.547 16.885 -10.143 458 H SER 62 H SER 62 -15.935 14.666 -9.370 459 HA SER 62 HA SER 62 -15.145 12.341 -7.838 460 HB2 SER 62 HB2 SER 62 -16.986 13.229 -6.516 461 HB3 SER 62 HB3 SER 62 -18.027 13.242 -7.951 462 HG SER 62 HG SER 62 -16.951 11.037 -6.525 463 H ASN 63 H ASN 63 -17.146 13.766 -10.415 464 HA ASN 63 HA ASN 63 -17.509 11.555 -12.040 465 HB2 ASN 63 HB2 ASN 63 -18.425 14.014 -12.097 466 HB3 ASN 63 HB3 ASN 63 -17.025 14.410 -13.034 467 HD21 ASN 63 HD22 ASN 63 -20.055 12.582 -13.059 468 HD22 ASN 63 HD21 ASN 63 -20.033 12.281 -14.790 469 H THR 64 H THR 64 -14.979 13.936 -12.214 470 HA THR 64 HA THR 64 -13.374 12.854 -14.243 471 HB THR 64 HB THR 64 -13.366 15.090 -13.435 472 HG1 THR 64 HG1 THR 64 -11.486 14.575 -14.459 473 HG21 THR 64 HG21 THR 64 -13.607 14.407 -10.991 474 HG22 THR 64 HG22 THR 64 -11.822 14.339 -10.974 475 HG23 THR 64 HG23 THR 64 -12.656 15.854 -11.396 476 H VAL 65 H VAL 65 -13.190 12.430 -10.856 477 HA VAL 65 HA VAL 65 -10.943 10.807 -10.543 478 HB VAL 65 HB VAL 65 -13.479 10.526 -8.961 479 HG11 VAL 65 HG11 VAL 65 -11.932 10.471 -7.037 480 HG12 VAL 65 HG12 VAL 65 -11.461 9.265 -8.252 481 HG13 VAL 65 HG13 VAL 65 -10.567 10.800 -8.133 482 HG21 VAL 65 HG21 VAL 65 -11.754 13.020 -8.918 483 HG22 VAL 65 HG22 VAL 65 -13.482 12.903 -9.300 484 HG23 VAL 65 HG23 VAL 65 -12.941 12.572 -7.664 485 H LYS 66 H LYS 66 -14.355 9.985 -10.950 486 HA LYS 66 HA LYS 66 -14.159 7.204 -11.486 487 HB2 LYS 66 HB2 LYS 66 -16.244 9.368 -11.790 488 HB3 LYS 66 HB3 LYS 66 -16.590 7.719 -12.321 489 HG2 LYS 66 HG2 LYS 66 -16.427 6.846 -10.125 490 HG3 LYS 66 HG3 LYS 66 -15.585 8.279 -9.510 491 HD2 LYS 66 HD2 LYS 66 -17.582 9.662 -9.828 492 HD3 LYS 66 HD3 LYS 66 -18.473 8.281 -10.491 493 HE2 LYS 66 HE2 LYS 66 -18.391 7.102 -8.391 494 HE3 LYS 66 HE3 LYS 66 -17.190 8.219 -7.731 495 HZ1 LYS 66 HZ1 LYS 66 -19.439 8.686 -6.903 496 HZ2 LYS 66 HZ2 LYS 66 -18.820 9.963 -7.709 497 HZ3 LYS 66 HZ3 LYS 66 -19.967 9.015 -8.414 498 H VAL 67 H VAL 67 -13.021 9.650 -13.430 499 HA VAL 67 HA VAL 67 -13.340 8.189 -15.941 500 HB VAL 67 HB VAL 67 -12.973 11.047 -15.165 501 HG11 VAL 67 HG11 VAL 67 -11.282 10.851 -16.801 502 HG12 VAL 67 HG12 VAL 67 -12.410 9.999 -17.909 503 HG13 VAL 67 HG13 VAL 67 -12.679 11.739 -17.408 504 HG21 VAL 67 HG21 VAL 67 -14.792 9.774 -17.158 505 HG22 VAL 67 HG22 VAL 67 -15.127 9.786 -15.423 506 HG23 VAL 67 HG23 VAL 67 -14.946 11.347 -16.268 507 H PHE 68 H PHE 68 -10.888 9.624 -13.798 508 HA PHE 68 HA PHE 68 -8.718 8.273 -15.134 509 HB2 PHE 68 HB2 PHE 68 -9.010 9.451 -12.370 510 HB3 PHE 68 HB3 PHE 68 -7.471 8.990 -13.146 511 HD1 PHE 68 HD1 PHE 68 -7.609 10.150 -15.828 512 HD2 PHE 68 HD2 PHE 68 -9.014 11.766 -12.081 513 HE1 PHE 68 HE1 PHE 68 -7.482 12.443 -16.762 514 HE2 PHE 68 HE2 PHE 68 -8.905 14.048 -13.022 515 HZ PHE 68 HZ PHE 68 -8.134 14.398 -15.369 516 H LYS 69 H LYS 69 -11.246 7.057 -13.896 517 HA LYS 69 HA LYS 69 -10.291 4.487 -12.880 518 HB2 LYS 69 HB2 LYS 69 -11.895 5.586 -11.394 519 HB3 LYS 69 HB3 LYS 69 -12.863 6.066 -12.757 520 HG2 LYS 69 HG2 LYS 69 -12.588 3.121 -12.366 521 HG3 LYS 69 HG3 LYS 69 -13.519 4.009 -11.159 522 HD2 LYS 69 HD2 LYS 69 -15.074 4.868 -12.764 523 HD3 LYS 69 HD3 LYS 69 -14.100 4.355 -14.138 524 HE2 LYS 69 HE2 LYS 69 -14.378 1.982 -13.486 525 HE3 LYS 69 HE3 LYS 69 -15.352 2.469 -12.093 526 HZ1 LYS 69 HZ1 LYS 69 -16.759 1.832 -13.971 527 HZ2 LYS 69 HZ2 LYS 69 -16.985 3.413 -13.640 528 HZ3 LYS 69 HZ3 LYS 69 -16.090 2.968 -14.934 529 H ASP 70 H ASP 70 -11.976 6.153 -15.543 530 HA ASP 70 HA ASP 70 -12.778 3.850 -16.985 531 HB2 ASP 70 HB2 ASP 70 -13.581 6.180 -17.418 532 HB3 ASP 70 HB3 ASP 70 -12.004 6.484 -18.159 533 H ILE 71 H ILE 71 -9.837 5.631 -16.745 534 HA ILE 71 HA ILE 71 -8.312 4.296 -18.620 535 HB ILE 71 HB ILE 71 -8.049 6.410 -16.907 536 HG12 ILE 71 HG12 ILE 71 -6.478 5.570 -18.928 537 HG13 ILE 71 HG13 ILE 71 -6.154 6.970 -17.917 538 HG21 ILE 71 HG21 ILE 71 -6.551 6.167 -15.101 539 HG22 ILE 71 HG22 ILE 71 -7.896 5.025 -14.923 540 HG23 ILE 71 HG23 ILE 71 -6.316 4.438 -15.421 541 HD11 ILE 71 HD11 ILE 71 -4.603 5.758 -16.543 542 HD12 ILE 71 HD12 ILE 71 -4.974 4.226 -17.380 543 HD13 ILE 71 HD13 ILE 71 -4.153 5.550 -18.247 544 H ASP 72 H ASP 72 -9.275 3.235 -15.556 545 HA ASP 72 HA ASP 72 -7.527 0.892 -15.511 546 HB2 ASP 72 HB2 ASP 72 -7.545 2.319 -13.586 547 HB3 ASP 72 HB3 ASP 72 -9.302 2.175 -13.464 548 H ALA 73 H ALA 73 -10.943 1.772 -15.755 549 HA ALA 73 HA ALA 73 -12.076 -0.801 -15.885 550 HB1 ALA 73 HB1 ALA 73 -13.343 1.358 -15.845 551 HB2 ALA 73 HB2 ALA 73 -12.826 1.680 -17.514 552 HB3 ALA 73 HB3 ALA 73 -13.874 0.294 -17.164 553 H ALA 74 H ALA 74 -10.288 1.095 -18.309 554 HA ALA 74 HA ALA 74 -10.306 -0.660 -20.510 555 HB1 ALA 74 HB1 ALA 74 -9.590 1.704 -20.558 556 HB2 ALA 74 HB2 ALA 74 -8.259 1.357 -19.453 557 HB3 ALA 74 HB3 ALA 74 -8.248 0.671 -21.097 558 H ILE 75 H ILE 75 -8.454 -0.763 -17.518 559 HA ILE 75 HA ILE 75 -6.694 -2.886 -18.356 560 HB ILE 75 HB ILE 75 -7.054 -1.732 -15.576 561 HG12 ILE 75 HG12 ILE 75 -4.882 -1.200 -17.641 562 HG13 ILE 75 HG13 ILE 75 -6.252 -0.171 -17.422 563 HG21 ILE 75 HG21 ILE 75 -4.871 -2.789 -15.095 564 HG22 ILE 75 HG22 ILE 75 -6.086 -3.995 -15.480 565 HG23 ILE 75 HG23 ILE 75 -4.878 -3.545 -16.704 566 HD11 ILE 75 HD11 ILE 75 -4.003 -0.704 -15.456 567 HD12 ILE 75 HD12 ILE 75 -4.426 0.818 -16.247 568 HD13 ILE 75 HD13 ILE 75 -5.491 0.153 -14.994 569 H LEU 76 H LEU 76 -9.661 -2.548 -16.400 570 HA LEU 76 HA LEU 76 -10.078 -5.283 -15.645 571 HB2 LEU 76 HB2 LEU 76 -11.745 -2.819 -16.000 572 HB3 LEU 76 HB3 LEU 76 -12.606 -4.325 -16.038 573 HG LEU 76 HG LEU 76 -11.811 -4.922 -13.832 574 HD11 LEU 76 HD11 LEU 76 -10.613 -3.359 -12.379 575 HD12 LEU 76 HD12 LEU 76 -9.610 -3.779 -13.773 576 HD13 LEU 76 HD13 LEU 76 -10.446 -2.211 -13.718 577 HD21 LEU 76 HD21 LEU 76 -12.939 -2.099 -13.916 578 HD22 LEU 76 HD22 LEU 76 -13.877 -3.601 -14.072 579 HD23 LEU 76 HD23 LEU 76 -13.048 -3.232 -12.552 580 H GLU 77 H GLU 77 -10.960 -3.518 -18.628 581 HA GLU 77 HA GLU 77 -11.953 -5.707 -20.098 582 HB2 GLU 77 HB2 GLU 77 -12.285 -3.283 -20.527 583 HB3 GLU 77 HB3 GLU 77 -10.611 -3.140 -21.018 584 HG2 GLU 77 HG2 GLU 77 -12.184 -3.145 -22.895 585 HG3 GLU 77 HG3 GLU 77 -10.985 -4.410 -23.009 586 H HIS 78 H HIS 78 -8.910 -5.498 -18.867 587 HA HIS 78 HA HIS 78 -7.622 -7.218 -20.930 588 HB2 HIS 78 HB2 HIS 78 -6.887 -4.655 -20.496 589 HB3 HIS 78 HB3 HIS 78 -6.055 -5.363 -19.133 590 HD1 HIS 78 HD1 HIS 78 -5.931 -5.281 -22.954 591 HD2 HIS 78 HD2 HIS 78 -3.890 -6.897 -19.648 592 HE1 HIS 78 HE1 HIS 78 -3.699 -6.137 -23.843 593 H HIS 79 H HIS 79 -9.041 -7.515 -18.054 594 HA HIS 79 HA HIS 79 -7.167 -8.247 -16.140 595 HB2 HIS 79 HB2 HIS 79 -9.006 -8.946 -14.849 596 HB3 HIS 79 HB3 HIS 79 -9.624 -7.664 -15.860 597 HD1 HIS 79 HD1 HIS 79 -10.580 -10.970 -14.712 598 HD2 HIS 79 HD2 HIS 79 -10.760 -8.949 -18.397 599 HE1 HIS 79 HE1 HIS 79 -12.292 -12.218 -16.130 600 H HIS 80 H HIS 80 -7.423 -10.106 -18.838 601 HA HIS 80 HA HIS 80 -7.998 -12.707 -17.980 602 HB2 HIS 80 HB2 HIS 80 -6.263 -11.911 -20.336 603 HB3 HIS 80 HB3 HIS 80 -7.241 -13.370 -20.175 604 HD1 HIS 80 HD1 HIS 80 -10.065 -12.250 -19.441 605 HD2 HIS 80 HD2 HIS 80 -7.383 -10.375 -22.092 606 HE1 HIS 80 HE1 HIS 80 -11.464 -10.696 -20.886 607 H HIS 81 H HIS 81 -5.049 -11.097 -17.254 608 HA HIS 81 HA HIS 81 -3.280 -13.387 -17.217 609 HB2 HIS 81 HB2 HIS 81 -2.599 -10.956 -17.236 610 HB3 HIS 81 HB3 HIS 81 -3.123 -10.845 -15.554 611 HD1 HIS 81 HD1 HIS 81 -0.565 -12.902 -17.666 612 HD2 HIS 81 HD2 HIS 81 -1.287 -11.476 -13.770 613 HE1 HIS 81 HE1 HIS 81 1.484 -13.526 -16.287 614 H HIS 82 H HIS 82 -2.375 -14.365 -15.233 615 HA HIS 82 HA HIS 82 -4.358 -15.544 -13.550 616 HB2 HIS 82 HB2 HIS 82 -2.187 -16.563 -14.234 617 HB3 HIS 82 HB3 HIS 82 -1.335 -15.410 -13.205 618 HD1 HIS 82 HD1 HIS 82 -1.227 -16.043 -10.612 619 HD2 HIS 82 HD2 HIS 82 -3.773 -18.437 -12.961 620 HE1 HIS 82 HE1 HIS 82 -1.961 -17.979 -9.124 621 H HIS 83 H HIS 83 -4.718 -15.377 -11.312 622 HA HIS 83 HA HIS 83 -3.584 -13.191 -9.720 623 HB2 HIS 83 HB2 HIS 83 -5.523 -12.184 -10.972 624 HB3 HIS 83 HB3 HIS 83 -6.588 -13.358 -10.204 625 HD1 HIS 83 HD1 HIS 83 -4.809 -12.807 -7.316 626 HD2 HIS 83 HD2 HIS 83 -7.051 -10.238 -9.774 627 HE1 HIS 83 HE1 HIS 83 -5.499 -10.818 -5.838 Start of MODEL 16 1 H1 MET 1 H1 MET 1 10.538 9.028 -22.457 2 H2 MET 1 H2 MET 1 9.236 9.161 -21.474 3 H3 MET 1 H3 MET 1 9.577 10.355 -22.539 4 HA MET 1 HA MET 1 11.223 9.587 -20.222 5 HB2 MET 1 HB2 MET 1 12.569 10.374 -22.171 6 HB3 MET 1 HB3 MET 1 11.656 11.887 -22.184 7 HG2 MET 1 HG2 MET 1 13.825 12.132 -21.069 8 HG3 MET 1 HG3 MET 1 12.503 12.454 -19.955 9 HE1 MET 1 HE1 MET 1 14.117 12.315 -17.869 10 HE2 MET 1 HE2 MET 1 15.270 10.988 -17.606 11 HE3 MET 1 HE3 MET 1 15.467 12.069 -19.004 12 H ALA 2 H ALA 2 10.863 10.686 -18.337 13 HA ALA 2 HA ALA 2 9.304 13.197 -18.220 14 HB1 ALA 2 HB1 ALA 2 7.658 12.209 -16.592 15 HB2 ALA 2 HB2 ALA 2 7.512 11.330 -18.140 16 HB3 ALA 2 HB3 ALA 2 8.400 10.633 -16.745 17 H THR 3 H THR 3 9.182 14.148 -16.330 18 HA THR 3 HA THR 3 11.378 13.705 -14.428 19 HB THR 3 HB THR 3 10.203 15.577 -13.264 20 HG1 THR 3 HG1 THR 3 8.167 15.519 -14.224 21 HG21 THR 3 HG21 THR 3 12.175 15.848 -14.737 22 HG22 THR 3 HG22 THR 3 11.112 15.900 -16.177 23 HG23 THR 3 HG23 THR 3 11.089 17.239 -14.982 24 HA PRO 4 HA PRO 4 9.187 11.110 -11.986 25 HB2 PRO 4 HB2 PRO 4 10.185 12.423 -9.499 26 HB3 PRO 4 HB3 PRO 4 10.376 10.723 -10.070 27 HG2 PRO 4 HG2 PRO 4 12.458 12.559 -10.234 28 HG3 PRO 4 HG3 PRO 4 12.173 11.309 -11.499 29 HD2 PRO 4 HD2 PRO 4 11.463 14.202 -11.623 30 HD3 PRO 4 HD3 PRO 4 12.159 13.069 -12.801 31 H TRP 5 H TRP 5 7.373 10.757 -10.575 32 HA TRP 5 HA TRP 5 5.233 12.497 -10.943 33 HB2 TRP 5 HB2 TRP 5 4.048 11.123 -9.289 34 HB3 TRP 5 HB3 TRP 5 4.935 10.162 -10.458 35 HD1 TRP 5 HD1 TRP 5 6.877 8.625 -9.592 36 HE1 TRP 5 HE1 TRP 5 7.660 7.853 -7.277 37 HE3 TRP 5 HE3 TRP 5 4.184 11.888 -6.687 38 HZ2 TRP 5 HZ2 TRP 5 7.223 8.581 -4.522 39 HZ3 TRP 5 HZ3 TRP 5 4.397 11.820 -4.210 40 HH2 TRP 5 HH2 TRP 5 5.912 10.183 -3.121 41 H SER 6 H SER 6 7.349 12.413 -8.085 42 HA SER 6 HA SER 6 5.868 14.253 -6.487 43 HB2 SER 6 HB2 SER 6 7.988 14.450 -5.205 44 HB3 SER 6 HB3 SER 6 7.522 12.772 -5.541 45 HG SER 6 HG SER 6 9.762 13.181 -5.953 46 H GLY 7 H GLY 7 7.754 14.917 -9.300 47 HA2 GLY 7 HA2 GLY 7 8.109 17.807 -8.667 48 HA3 GLY 7 HA3 GLY 7 8.807 16.914 -10.020 49 H TYR 8 H TYR 8 5.636 15.963 -9.900 50 HA TYR 8 HA TYR 8 4.522 18.202 -11.423 51 HB2 TYR 8 HB2 TYR 8 5.475 16.471 -12.944 52 HB3 TYR 8 HB3 TYR 8 4.438 15.267 -12.195 53 HD1 TYR 8 HD2 TYR 8 3.571 18.770 -13.360 54 HD2 TYR 8 HD1 TYR 8 3.126 14.521 -13.991 55 HE1 TYR 8 HE2 TYR 8 1.879 19.207 -15.120 56 HE2 TYR 8 HE1 TYR 8 1.446 14.969 -15.775 57 HH TYR 8 HH TYR 8 0.450 18.298 -16.659 58 H LEU 9 H LEU 9 4.091 15.816 -9.031 59 HA LEU 9 HA LEU 9 1.438 15.368 -8.698 60 HB2 LEU 9 HB2 LEU 9 3.191 14.451 -7.286 61 HB3 LEU 9 HB3 LEU 9 3.632 16.053 -6.689 62 HG LEU 9 HG LEU 9 1.496 16.221 -5.473 63 HD11 LEU 9 HD11 LEU 9 0.085 14.920 -6.979 64 HD12 LEU 9 HD12 LEU 9 0.999 13.440 -6.609 65 HD13 LEU 9 HD13 LEU 9 -0.002 14.256 -5.352 66 HD21 LEU 9 HD21 LEU 9 1.916 14.472 -3.806 67 HD22 LEU 9 HD22 LEU 9 2.919 13.575 -4.967 68 HD23 LEU 9 HD23 LEU 9 3.447 15.166 -4.369 69 H ASP 10 H ASP 10 3.117 18.345 -7.722 70 HA ASP 10 HA ASP 10 0.742 19.500 -6.561 71 HB2 ASP 10 HB2 ASP 10 2.165 21.385 -6.016 72 HB3 ASP 10 HB3 ASP 10 3.045 19.903 -5.688 73 H ASP 11 H ASP 11 0.838 18.849 -9.498 74 HA ASP 11 HA ASP 11 -0.692 21.239 -10.379 75 HB2 ASP 11 HB2 ASP 11 1.505 21.209 -11.571 76 HB3 ASP 11 HB3 ASP 11 1.113 19.602 -12.186 77 H VAL 12 H VAL 12 -0.077 17.776 -10.747 78 HA VAL 12 HA VAL 12 -2.535 17.168 -12.033 79 HB VAL 12 HB VAL 12 -0.434 15.495 -10.594 80 HG11 VAL 12 HG11 VAL 12 -1.355 13.539 -11.833 81 HG12 VAL 12 HG12 VAL 12 -2.457 14.150 -10.594 82 HG13 VAL 12 HG13 VAL 12 -2.756 14.527 -12.312 83 HG21 VAL 12 HG21 VAL 12 0.317 14.986 -12.876 84 HG22 VAL 12 HG22 VAL 12 -0.993 15.985 -13.553 85 HG23 VAL 12 HG23 VAL 12 0.306 16.740 -12.617 86 H SER 13 H SER 13 -1.453 16.614 -8.687 87 HA SER 13 HA SER 13 -4.108 15.854 -7.742 88 HB2 SER 13 HB2 SER 13 -2.032 14.909 -6.789 89 HB3 SER 13 HB3 SER 13 -1.539 16.551 -6.244 90 HG SER 13 HG SER 13 -2.590 15.265 -4.593 91 H ALA 14 H ALA 14 -1.935 18.672 -7.623 92 HA ALA 14 HA ALA 14 -3.503 20.055 -5.819 93 HB1 ALA 14 HB1 ALA 14 -1.201 20.685 -6.308 94 HB2 ALA 14 HB2 ALA 14 -1.721 21.316 -7.908 95 HB3 ALA 14 HB3 ALA 14 -2.301 22.072 -6.403 96 H LYS 15 H LYS 15 -4.129 19.578 -9.245 97 HA LYS 15 HA LYS 15 -5.897 21.639 -9.857 98 HB2 LYS 15 HB2 LYS 15 -6.658 20.386 -11.590 99 HB3 LYS 15 HB3 LYS 15 -5.118 19.587 -11.287 100 HG2 LYS 15 HG2 LYS 15 -6.366 17.836 -9.959 101 HG3 LYS 15 HG3 LYS 15 -7.885 18.602 -10.418 102 HD2 LYS 15 HD2 LYS 15 -5.868 17.555 -12.433 103 HD3 LYS 15 HD3 LYS 15 -7.236 16.619 -11.802 104 HE2 LYS 15 HE2 LYS 15 -8.796 18.413 -12.615 105 HE3 LYS 15 HE3 LYS 15 -7.419 19.242 -13.351 106 HZ1 LYS 15 HZ1 LYS 15 -8.361 16.513 -14.059 107 HZ2 LYS 15 HZ2 LYS 15 -8.562 17.852 -14.966 108 HZ3 LYS 15 HZ3 LYS 15 -7.062 17.253 -14.732 109 H PHE 16 H PHE 16 -6.445 18.822 -7.815 110 HA PHE 16 HA PHE 16 -9.150 19.489 -7.160 111 HB2 PHE 16 HB2 PHE 16 -9.047 17.332 -6.655 112 HB3 PHE 16 HB3 PHE 16 -7.293 17.302 -6.590 113 HD1 PHE 16 HD2 PHE 16 -10.287 18.386 -4.555 114 HD2 PHE 16 HD1 PHE 16 -6.226 16.926 -4.522 115 HE1 PHE 16 HE2 PHE 16 -10.380 18.183 -2.082 116 HE2 PHE 16 HE1 PHE 16 -6.328 16.713 -2.050 117 HZ PHE 16 HZ PHE 16 -8.401 17.343 -0.827 118 H ASP 17 H ASP 17 -6.090 19.629 -5.259 119 HA ASP 17 HA ASP 17 -7.348 20.808 -3.104 120 HB2 ASP 17 HB2 ASP 17 -5.160 19.581 -3.104 121 HB3 ASP 17 HB3 ASP 17 -4.394 20.975 -3.864 122 H THR 18 H THR 18 -6.132 22.577 -5.876 123 HA THR 18 HA THR 18 -6.722 25.097 -4.514 124 HB THR 18 HB THR 18 -4.635 24.687 -5.962 125 HG1 THR 18 HG1 THR 18 -5.085 26.674 -5.129 126 HG21 THR 18 HG21 THR 18 -6.544 25.631 -8.136 127 HG22 THR 18 HG22 THR 18 -4.798 25.323 -8.275 128 HG23 THR 18 HG23 THR 18 -5.920 23.970 -8.027 129 H GLY 19 H GLY 19 -8.059 23.015 -7.045 130 HA2 GLY 19 HA2 GLY 19 -10.040 24.846 -8.057 131 HA3 GLY 19 HA3 GLY 19 -10.084 23.080 -8.156 132 H VAL 20 H VAL 20 -10.154 22.308 -5.511 133 HA VAL 20 HA VAL 20 -12.751 22.850 -4.562 134 HB VAL 20 HB VAL 20 -10.984 20.952 -3.947 135 HG11 VAL 20 HG11 VAL 20 -10.480 22.674 -1.555 136 HG12 VAL 20 HG12 VAL 20 -9.995 20.987 -1.844 137 HG13 VAL 20 HG13 VAL 20 -9.326 22.264 -2.856 138 HG21 VAL 20 HG21 VAL 20 -12.467 20.357 -2.083 139 HG22 VAL 20 HG22 VAL 20 -12.822 22.083 -1.764 140 HG23 VAL 20 HG23 VAL 20 -13.487 21.308 -3.177 141 H ASP 21 H ASP 21 -9.669 24.278 -3.675 142 HA ASP 21 HA ASP 21 -10.808 25.901 -1.680 143 HB2 ASP 21 HB2 ASP 21 -8.588 25.278 -1.445 144 HB3 ASP 21 HB3 ASP 21 -8.187 25.807 -3.059 145 H ASN 22 H ASN 22 -10.522 26.558 -5.155 146 HA ASN 22 HA ASN 22 -11.264 29.313 -4.851 147 HB2 ASN 22 HB2 ASN 22 -11.754 27.254 -7.074 148 HB3 ASN 22 HB3 ASN 22 -12.410 28.866 -7.158 149 HD21 ASN 22 HD22 ASN 22 -9.115 27.366 -6.711 150 HD22 ASN 22 HD21 ASN 22 -8.338 28.649 -7.628 151 H LEU 23 H LEU 23 -13.047 26.287 -4.646 152 HA LEU 23 HA LEU 23 -15.560 27.660 -4.536 153 HB2 LEU 23 HB2 LEU 23 -14.887 25.054 -5.194 154 HB3 LEU 23 HB3 LEU 23 -15.654 24.893 -3.633 155 HG LEU 23 HG LEU 23 -17.265 24.783 -5.400 156 HD11 LEU 23 HD11 LEU 23 -18.875 26.248 -4.672 157 HD12 LEU 23 HD12 LEU 23 -17.814 26.195 -3.278 158 HD13 LEU 23 HD13 LEU 23 -17.753 27.584 -4.368 159 HD21 LEU 23 HD21 LEU 23 -18.111 26.619 -6.768 160 HD22 LEU 23 HD22 LEU 23 -16.536 27.431 -6.530 161 HD23 LEU 23 HD23 LEU 23 -16.599 25.812 -7.294 162 H GLN 24 H GLN 24 -13.469 26.031 -2.217 163 HA GLN 24 HA GLN 24 -14.807 26.490 0.157 164 HB2 GLN 24 HB2 GLN 24 -12.561 25.230 -0.380 165 HB3 GLN 24 HB3 GLN 24 -11.820 26.821 -0.066 166 HG2 GLN 24 HG2 GLN 24 -11.628 25.610 1.869 167 HG3 GLN 24 HG3 GLN 24 -12.875 26.853 2.147 168 HE21 GLN 24 HE22 GLN 24 -14.670 26.091 3.273 169 HE22 GLN 24 HE21 GLN 24 -15.228 24.424 3.206 170 H THR 25 H THR 25 -12.414 28.688 -1.437 171 HA THR 25 HA THR 25 -12.468 30.730 0.472 172 HB THR 25 HB THR 25 -10.866 30.367 -1.415 173 HG1 THR 25 HG1 THR 25 -10.662 32.187 -0.185 174 HG21 THR 25 HG21 THR 25 -12.704 32.065 -3.095 175 HG22 THR 25 HG22 THR 25 -11.085 31.440 -3.498 176 HG23 THR 25 HG23 THR 25 -12.413 30.313 -3.275 177 H GLN 26 H GLN 26 -14.393 30.293 -2.431 178 HA GLN 26 HA GLN 26 -16.166 32.458 -2.131 179 HB2 GLN 26 HB2 GLN 26 -15.958 29.998 -3.760 180 HB3 GLN 26 HB3 GLN 26 -17.577 30.201 -3.218 181 HG2 GLN 26 HG2 GLN 26 -17.230 31.232 -5.413 182 HG3 GLN 26 HG3 GLN 26 -17.740 32.426 -4.215 183 HE21 GLN 26 HE22 GLN 26 -14.492 31.039 -5.240 184 HE22 GLN 26 HE21 GLN 26 -13.804 32.641 -5.488 185 H VAL 27 H VAL 27 -16.765 29.087 -0.908 186 HA VAL 27 HA VAL 27 -19.165 29.842 0.329 187 HB VAL 27 HB VAL 27 -19.322 27.887 1.393 188 HG11 VAL 27 HG11 VAL 27 -18.883 26.214 -0.155 189 HG12 VAL 27 HG12 VAL 27 -18.649 27.643 -1.202 190 HG13 VAL 27 HG13 VAL 27 -17.254 26.787 -0.497 191 HG21 VAL 27 HG21 VAL 27 -17.524 27.774 2.929 192 HG22 VAL 27 HG22 VAL 27 -17.666 26.259 2.045 193 HG23 VAL 27 HG23 VAL 27 -16.374 27.399 1.623 194 H THR 28 H THR 28 -15.831 29.851 1.512 195 HA THR 28 HA THR 28 -16.394 30.518 4.192 196 HB THR 28 HB THR 28 -13.949 31.331 2.658 197 HG1 THR 28 HG1 THR 28 -14.182 29.092 2.520 198 HG21 THR 28 HG21 THR 28 -14.640 31.019 5.557 199 HG22 THR 28 HG22 THR 28 -12.932 30.950 4.977 200 HG23 THR 28 HG23 THR 28 -13.929 32.411 4.691 201 H GLU 29 H GLU 29 -16.078 32.533 1.255 202 HA GLU 29 HA GLU 29 -16.118 34.894 2.824 203 HB2 GLU 29 HB2 GLU 29 -16.417 34.452 -0.112 204 HB3 GLU 29 HB3 GLU 29 -16.547 36.017 0.662 205 HG2 GLU 29 HG2 GLU 29 -14.388 35.778 1.768 206 HG3 GLU 29 HG3 GLU 29 -14.093 34.270 0.958 207 H ALA 30 H ALA 30 -18.682 32.877 1.323 208 HA ALA 30 HA ALA 30 -20.900 34.583 1.967 209 HB1 ALA 30 HB1 ALA 30 -20.672 31.523 1.857 210 HB2 ALA 30 HB2 ALA 30 -22.167 32.437 1.986 211 HB3 ALA 30 HB3 ALA 30 -21.158 32.576 0.519 212 H LEU 31 H LEU 31 -19.121 32.109 3.745 213 HA LEU 31 HA LEU 31 -20.367 32.446 6.253 214 HB2 LEU 31 HB2 LEU 31 -18.973 30.507 5.460 215 HB3 LEU 31 HB3 LEU 31 -17.577 31.563 5.560 216 HG LEU 31 HG LEU 31 -18.257 31.906 8.070 217 HD11 LEU 31 HD11 LEU 31 -20.494 30.708 7.657 218 HD12 LEU 31 HD12 LEU 31 -19.534 29.223 7.530 219 HD13 LEU 31 HD13 LEU 31 -19.512 30.180 9.049 220 HD21 LEU 31 HD21 LEU 31 -16.921 30.005 8.630 221 HD22 LEU 31 HD22 LEU 31 -17.088 29.377 6.920 222 HD23 LEU 31 HD23 LEU 31 -16.254 30.915 7.259 223 H ASP 32 H ASP 32 -17.571 34.246 4.776 224 HA ASP 32 HA ASP 32 -16.863 35.697 7.052 225 HB2 ASP 32 HB2 ASP 32 -15.505 35.816 5.094 226 HB3 ASP 32 HB3 ASP 32 -16.789 36.475 4.103 227 H LYS 33 H LYS 33 -19.626 36.109 4.863 228 HA LYS 33 HA LYS 33 -20.752 38.343 6.219 229 HB2 LYS 33 HB2 LYS 33 -22.431 36.477 4.699 230 HB3 LYS 33 HB3 LYS 33 -22.484 38.244 4.917 231 HG2 LYS 33 HG2 LYS 33 -20.992 36.515 3.011 232 HG3 LYS 33 HG3 LYS 33 -22.058 37.844 2.663 233 HD2 LYS 33 HD2 LYS 33 -20.281 39.393 3.626 234 HD3 LYS 33 HD3 LYS 33 -19.168 37.988 3.619 235 HE2 LYS 33 HE2 LYS 33 -19.519 37.604 1.268 236 HE3 LYS 33 HE3 LYS 33 -20.628 38.987 1.171 237 HZ1 LYS 33 HZ1 LYS 33 -17.760 39.171 1.947 238 HZ2 LYS 33 HZ2 LYS 33 -18.354 39.588 0.481 239 HZ3 LYS 33 HZ3 LYS 33 -18.780 40.438 1.807 240 H LEU 34 H LEU 34 -21.303 34.818 6.373 241 HA LEU 34 HA LEU 34 -23.384 34.988 8.244 242 HB2 LEU 34 HB2 LEU 34 -22.516 33.170 6.585 243 HB3 LEU 34 HB3 LEU 34 -21.915 32.419 8.086 244 HG LEU 34 HG LEU 34 -24.778 33.323 7.520 245 HD11 LEU 34 HD11 LEU 34 -25.291 31.024 7.105 246 HD12 LEU 34 HD12 LEU 34 -24.052 31.661 6.024 247 HD13 LEU 34 HD13 LEU 34 -23.575 30.578 7.366 248 HD21 LEU 34 HD21 LEU 34 -24.272 32.843 9.940 249 HD22 LEU 34 HD22 LEU 34 -25.638 31.984 9.182 250 HD23 LEU 34 HD23 LEU 34 -24.065 31.159 9.514 251 H ALA 35 H ALA 35 -19.965 34.997 8.710 252 HA ALA 35 HA ALA 35 -20.024 34.601 11.578 253 HB1 ALA 35 HB1 ALA 35 -18.180 33.851 10.153 254 HB2 ALA 35 HB2 ALA 35 -17.850 35.533 9.669 255 HB3 ALA 35 HB3 ALA 35 -17.629 35.037 11.368 256 H ALA 36 H ALA 36 -20.505 37.259 9.324 257 HA ALA 36 HA ALA 36 -20.070 39.473 11.150 258 HB1 ALA 36 HB1 ALA 36 -20.702 40.857 9.250 259 HB2 ALA 36 HB2 ALA 36 -19.520 39.640 8.758 260 HB3 ALA 36 HB3 ALA 36 -21.225 39.456 8.310 261 H LYS 37 H LYS 37 -22.993 38.172 9.576 262 HA LYS 37 HA LYS 37 -24.804 39.337 11.699 263 HB2 LYS 37 HB2 LYS 37 -24.500 40.667 9.395 264 HB3 LYS 37 HB3 LYS 37 -25.356 39.310 8.754 265 HG2 LYS 37 HG2 LYS 37 -27.260 39.885 10.381 266 HG3 LYS 37 HG3 LYS 37 -26.345 41.361 10.764 267 HD2 LYS 37 HD2 LYS 37 -26.348 41.979 8.344 268 HD3 LYS 37 HD3 LYS 37 -27.215 40.478 7.967 269 HE2 LYS 37 HE2 LYS 37 -29.005 41.254 9.625 270 HE3 LYS 37 HE3 LYS 37 -28.163 42.808 9.682 271 HZ1 LYS 37 HZ1 LYS 37 -29.393 41.540 7.288 272 HZ2 LYS 37 HZ2 LYS 37 -29.954 42.873 8.050 273 HZ3 LYS 37 HZ3 LYS 37 -28.538 42.950 7.230 274 HA PRO 38 HA PRO 38 -24.554 34.914 10.172 275 HB2 PRO 38 HB2 PRO 38 -25.713 33.936 12.722 276 HB3 PRO 38 HB3 PRO 38 -24.242 33.492 11.826 277 HG2 PRO 38 HG2 PRO 38 -24.561 35.473 13.974 278 HG3 PRO 38 HG3 PRO 38 -23.040 34.859 13.266 279 HD2 PRO 38 HD2 PRO 38 -24.059 37.426 12.907 280 HD3 PRO 38 HD3 PRO 38 -22.922 36.647 11.774 281 H SER 39 H SER 39 -27.673 34.713 11.935 282 HA SER 39 HA SER 39 -28.434 33.092 9.722 283 HB2 SER 39 HB2 SER 39 -30.426 32.596 10.924 284 HB3 SER 39 HB3 SER 39 -28.971 32.357 11.870 285 HG SER 39 HG SER 39 -30.626 33.462 13.081 286 H ASP 40 H ASP 40 -28.195 36.226 9.559 287 HA ASP 40 HA ASP 40 -30.534 37.301 8.391 288 HB2 ASP 40 HB2 ASP 40 -28.596 38.706 8.691 289 HB3 ASP 40 HB3 ASP 40 -27.623 37.703 7.677 290 HA PRO 41 HA PRO 41 -30.704 33.733 5.845 291 HB2 PRO 41 HB2 PRO 41 -33.113 34.078 4.538 292 HB3 PRO 41 HB3 PRO 41 -32.936 33.595 6.259 293 HG2 PRO 41 HG2 PRO 41 -33.373 36.382 5.067 294 HG3 PRO 41 HG3 PRO 41 -34.294 35.620 6.419 295 HD2 PRO 41 HD2 PRO 41 -32.258 37.341 6.880 296 HD3 PRO 41 HD3 PRO 41 -32.514 35.905 7.920 297 H ALA 42 H ALA 42 -30.824 36.909 4.327 298 HA ALA 42 HA ALA 42 -30.587 35.916 1.670 299 HB1 ALA 42 HB1 ALA 42 -29.865 38.621 2.878 300 HB2 ALA 42 HB2 ALA 42 -30.151 38.281 1.152 301 HB3 ALA 42 HB3 ALA 42 -31.481 38.121 2.333 302 H LEU 43 H LEU 43 -28.105 36.936 4.124 303 HA LEU 43 HA LEU 43 -25.914 36.070 2.377 304 HB2 LEU 43 HB2 LEU 43 -24.492 36.788 4.057 305 HB3 LEU 43 HB3 LEU 43 -25.784 37.981 3.994 306 HG LEU 43 HG LEU 43 -26.736 36.579 6.019 307 HD11 LEU 43 HD11 LEU 43 -23.803 36.091 6.232 308 HD12 LEU 43 HD12 LEU 43 -25.078 35.591 7.382 309 HD13 LEU 43 HD13 LEU 43 -24.851 34.775 5.816 310 HD21 LEU 43 HD21 LEU 43 -24.222 38.264 6.234 311 HD22 LEU 43 HD22 LEU 43 -25.926 38.790 6.484 312 HD23 LEU 43 HD23 LEU 43 -25.133 37.652 7.625 313 H LEU 44 H LEU 44 -27.609 34.655 5.235 314 HA LEU 44 HA LEU 44 -25.885 32.326 5.382 315 HB2 LEU 44 HB2 LEU 44 -26.936 32.470 7.324 316 HB3 LEU 44 HB3 LEU 44 -28.274 33.293 6.768 317 HG LEU 44 HG LEU 44 -29.027 31.402 7.808 318 HD11 LEU 44 HD11 LEU 44 -30.455 30.311 6.336 319 HD12 LEU 44 HD12 LEU 44 -30.085 31.788 5.426 320 HD13 LEU 44 HD13 LEU 44 -29.272 30.260 5.029 321 HD21 LEU 44 HD21 LEU 44 -28.433 29.094 7.127 322 HD22 LEU 44 HD22 LEU 44 -27.134 29.775 6.112 323 HD23 LEU 44 HD23 LEU 44 -27.166 30.053 7.914 324 H ALA 45 H ALA 45 -29.009 32.769 3.477 325 HA ALA 45 HA ALA 45 -28.583 30.101 2.603 326 HB1 ALA 45 HB1 ALA 45 -30.445 30.464 1.082 327 HB2 ALA 45 HB2 ALA 45 -30.776 30.991 2.737 328 HB3 ALA 45 HB3 ALA 45 -30.434 32.217 1.463 329 H ALA 46 H ALA 46 -27.166 33.099 1.487 330 HA ALA 46 HA ALA 46 -26.273 32.037 -1.021 331 HB1 ALA 46 HB1 ALA 46 -26.251 34.452 -0.560 332 HB2 ALA 46 HB2 ALA 46 -24.988 34.208 0.676 333 HB3 ALA 46 HB3 ALA 46 -24.664 33.812 -1.035 334 H TYR 47 H TYR 47 -25.018 31.956 2.359 335 HA TYR 47 HA TYR 47 -22.680 30.404 1.855 336 HB2 TYR 47 HB2 TYR 47 -23.342 31.524 4.075 337 HB3 TYR 47 HB3 TYR 47 -24.473 30.295 4.252 338 HD1 TYR 47 HD1 TYR 47 -20.861 29.985 3.303 339 HD2 TYR 47 HD2 TYR 47 -24.123 28.677 5.781 340 HE1 TYR 47 HE1 TYR 47 -19.398 28.253 4.296 341 HE2 TYR 47 HE2 TYR 47 -22.657 26.949 6.794 342 HH TYR 47 HH TYR 47 -19.239 26.518 5.796 343 H GLN 48 H GLN 48 -25.967 29.430 2.771 344 HA GLN 48 HA GLN 48 -25.665 26.704 2.537 345 HB2 GLN 48 HB2 GLN 48 -28.195 28.168 1.769 346 HB3 GLN 48 HB3 GLN 48 -28.017 26.507 2.263 347 HG2 GLN 48 HG2 GLN 48 -27.623 28.811 4.093 348 HG3 GLN 48 HG3 GLN 48 -28.994 27.813 4.037 349 HE21 GLN 48 HE22 GLN 48 -28.723 25.451 4.668 350 HE22 GLN 48 HE21 GLN 48 -27.393 25.056 5.750 351 H SER 49 H SER 49 -26.182 29.032 -0.063 352 HA SER 49 HA SER 49 -26.473 27.102 -2.108 353 HB2 SER 49 HB2 SER 49 -25.587 30.081 -2.242 354 HB3 SER 49 HB3 SER 49 -25.940 29.102 -3.659 355 HG SER 49 HG SER 49 -27.742 29.751 -1.543 356 H LYS 50 H LYS 50 -23.653 29.050 -1.071 357 HA LYS 50 HA LYS 50 -21.894 27.929 -3.016 358 HB2 LYS 50 HB2 LYS 50 -21.391 29.465 -0.381 359 HB3 LYS 50 HB3 LYS 50 -20.159 29.070 -1.567 360 HG2 LYS 50 HG2 LYS 50 -22.498 30.309 -2.897 361 HG3 LYS 50 HG3 LYS 50 -21.834 31.314 -1.629 362 HD2 LYS 50 HD2 LYS 50 -20.780 31.863 -3.664 363 HD3 LYS 50 HD3 LYS 50 -19.603 31.077 -2.570 364 HE2 LYS 50 HE2 LYS 50 -19.060 29.682 -4.233 365 HE3 LYS 50 HE3 LYS 50 -20.604 28.935 -3.984 366 HZ1 LYS 50 HZ1 LYS 50 -20.095 31.192 -5.888 367 HZ2 LYS 50 HZ2 LYS 50 -20.287 29.638 -6.336 368 HZ3 LYS 50 HZ3 LYS 50 -21.542 30.467 -5.689 369 H LEU 51 H LEU 51 -22.630 27.008 0.251 370 HA LEU 51 HA LEU 51 -20.927 24.817 0.768 371 HB2 LEU 51 HB2 LEU 51 -22.363 25.945 2.354 372 HB3 LEU 51 HB3 LEU 51 -23.746 25.798 1.365 373 HG LEU 51 HG LEU 51 -22.542 23.446 2.848 374 HD11 LEU 51 HD11 LEU 51 -24.191 23.918 4.535 375 HD12 LEU 51 HD12 LEU 51 -23.428 25.491 4.196 376 HD13 LEU 51 HD13 LEU 51 -25.008 25.103 3.506 377 HD21 LEU 51 HD21 LEU 51 -24.946 22.596 2.564 378 HD22 LEU 51 HD22 LEU 51 -25.214 23.920 1.411 379 HD23 LEU 51 HD23 LEU 51 -24.028 22.639 1.059 380 H SER 52 H SER 52 -23.985 25.014 -1.092 381 HA SER 52 HA SER 52 -23.898 22.289 -1.938 382 HB2 SER 52 HB2 SER 52 -25.427 24.579 -3.198 383 HB3 SER 52 HB3 SER 52 -25.649 22.850 -3.456 384 HG SER 52 HG SER 52 -26.132 24.315 -1.059 385 H GLU 53 H GLU 53 -22.935 25.366 -3.559 386 HA GLU 53 HA GLU 53 -22.164 24.269 -6.015 387 HB2 GLU 53 HB2 GLU 53 -20.939 26.575 -4.554 388 HB3 GLU 53 HB3 GLU 53 -20.588 26.061 -6.220 389 HG2 GLU 53 HG2 GLU 53 -23.042 27.442 -5.233 390 HG3 GLU 53 HG3 GLU 53 -21.666 27.997 -6.224 391 H TYR 54 H TYR 54 -20.367 24.527 -2.969 392 HA TYR 54 HA TYR 54 -17.887 23.537 -3.991 393 HB2 TYR 54 HB2 TYR 54 -17.375 24.583 -2.087 394 HB3 TYR 54 HB3 TYR 54 -18.945 24.388 -1.422 395 HD1 TYR 54 HD2 TYR 54 -15.654 22.833 -2.005 396 HD2 TYR 54 HD1 TYR 54 -19.380 22.609 0.154 397 HE1 TYR 54 HE2 TYR 54 -14.693 21.113 -0.565 398 HE2 TYR 54 HE1 TYR 54 -18.465 20.869 1.600 399 HH TYR 54 HH TYR 54 -15.044 19.691 1.257 400 H ASN 55 H ASN 55 -20.758 21.924 -2.588 401 HA ASN 55 HA ASN 55 -19.624 19.352 -2.842 402 HB2 ASN 55 HB2 ASN 55 -21.982 20.310 -1.744 403 HB3 ASN 55 HB3 ASN 55 -22.486 19.404 -3.181 404 HD21 ASN 55 HD22 ASN 55 -23.514 17.758 -1.960 405 HD22 ASN 55 HD21 ASN 55 -22.549 16.595 -1.062 406 H LEU 56 H LEU 56 -21.240 21.485 -5.214 407 HA LEU 56 HA LEU 56 -21.359 19.618 -7.409 408 HB2 LEU 56 HB2 LEU 56 -21.470 22.590 -7.061 409 HB3 LEU 56 HB3 LEU 56 -21.078 22.048 -8.622 410 HG LEU 56 HG LEU 56 -23.191 20.877 -8.856 411 HD11 LEU 56 HD11 LEU 56 -24.011 22.006 -6.157 412 HD12 LEU 56 HD12 LEU 56 -25.002 21.053 -7.269 413 HD13 LEU 56 HD13 LEU 56 -23.634 20.290 -6.446 414 HD21 LEU 56 HD21 LEU 56 -24.610 22.945 -8.812 415 HD22 LEU 56 HD22 LEU 56 -23.346 23.755 -7.844 416 HD23 LEU 56 HD23 LEU 56 -22.996 23.219 -9.494 417 H TYR 57 H TYR 57 -18.868 21.998 -6.348 418 HA TYR 57 HA TYR 57 -16.940 21.374 -8.275 419 HB2 TYR 57 HB2 TYR 57 -16.336 23.169 -7.046 420 HB3 TYR 57 HB3 TYR 57 -16.692 22.435 -5.502 421 HD1 TYR 57 HD1 TYR 57 -14.254 22.600 -8.291 422 HD2 TYR 57 HD2 TYR 57 -15.252 20.684 -4.564 423 HE1 TYR 57 HE1 TYR 57 -12.189 21.219 -8.447 424 HE2 TYR 57 HE2 TYR 57 -13.253 19.230 -4.765 425 HH TYR 57 HH TYR 57 -11.096 19.430 -7.624 426 H ARG 58 H ARG 58 -17.814 19.731 -5.274 427 HA ARG 58 HA ARG 58 -16.072 17.500 -5.449 428 HB2 ARG 58 HB2 ARG 58 -17.930 18.624 -3.637 429 HB3 ARG 58 HB3 ARG 58 -18.629 17.064 -3.987 430 HG2 ARG 58 HG2 ARG 58 -17.314 16.910 -2.035 431 HG3 ARG 58 HG3 ARG 58 -16.407 16.056 -3.308 432 HD2 ARG 58 HD2 ARG 58 -15.508 18.729 -3.473 433 HD3 ARG 58 HD3 ARG 58 -15.713 18.496 -1.749 434 HE ARG 58 HE ARG 58 -13.800 17.141 -3.578 435 HH11 ARG 58 HH22 ARG 58 -15.015 17.136 -0.277 436 HH12 ARG 58 HH21 ARG 58 -13.623 16.254 0.295 437 HH21 ARG 58 HH11 ARG 58 -12.177 16.086 -2.843 438 HH22 ARG 58 HH12 ARG 58 -12.017 15.640 -1.148 439 H ASN 59 H ASN 59 -19.371 17.928 -6.649 440 HA ASN 59 HA ASN 59 -19.833 15.300 -7.549 441 HB2 ASN 59 HB2 ASN 59 -21.553 17.186 -7.351 442 HB3 ASN 59 HB3 ASN 59 -20.885 17.852 -8.837 443 HD21 ASN 59 HD22 ASN 59 -22.607 15.041 -7.478 444 HD22 ASN 59 HD21 ASN 59 -23.213 14.498 -9.036 445 H ALA 60 H ALA 60 -18.412 18.107 -9.169 446 HA ALA 60 HA ALA 60 -17.587 16.819 -11.571 447 HB1 ALA 60 HB1 ALA 60 -16.327 18.919 -11.833 448 HB2 ALA 60 HB2 ALA 60 -17.923 19.311 -11.093 449 HB3 ALA 60 HB3 ALA 60 -16.478 19.262 -10.095 450 H GLN 61 H GLN 61 -15.855 17.422 -8.496 451 HA GLN 61 HA GLN 61 -13.751 15.630 -9.208 452 HB2 GLN 61 HB2 GLN 61 -13.491 17.616 -7.958 453 HB3 GLN 61 HB3 GLN 61 -14.254 16.810 -6.541 454 HG2 GLN 61 HG2 GLN 61 -12.244 15.020 -7.505 455 HG3 GLN 61 HG3 GLN 61 -11.508 16.593 -7.696 456 HE21 GLN 61 HE22 GLN 61 -10.243 14.844 -6.101 457 HE22 GLN 61 HE21 GLN 61 -10.413 15.325 -4.427 458 H SER 62 H SER 62 -15.996 14.507 -9.491 459 HA SER 62 HA SER 62 -15.613 11.926 -8.233 460 HB2 SER 62 HB2 SER 62 -17.461 12.773 -6.961 461 HB3 SER 62 HB3 SER 62 -18.349 13.195 -8.430 462 HG SER 62 HG SER 62 -18.795 11.093 -7.274 463 H ASN 63 H ASN 63 -17.172 13.873 -10.773 464 HA ASN 63 HA ASN 63 -17.442 11.923 -12.727 465 HB2 ASN 63 HB2 ASN 63 -18.233 14.440 -12.493 466 HB3 ASN 63 HB3 ASN 63 -16.741 14.845 -13.272 467 HD21 ASN 63 HD22 ASN 63 -17.489 15.559 -15.286 468 HD22 ASN 63 HD21 ASN 63 -18.416 14.528 -16.367 469 H THR 64 H THR 64 -14.776 14.098 -12.214 470 HA THR 64 HA THR 64 -13.051 13.183 -14.259 471 HB THR 64 HB THR 64 -12.920 15.298 -13.248 472 HG1 THR 64 HG1 THR 64 -10.971 14.618 -14.067 473 HG21 THR 64 HG21 THR 64 -11.760 14.207 -10.693 474 HG22 THR 64 HG22 THR 64 -12.495 15.800 -11.028 475 HG23 THR 64 HG23 THR 64 -13.519 14.352 -10.898 476 H VAL 65 H VAL 65 -13.263 12.345 -10.949 477 HA VAL 65 HA VAL 65 -11.163 10.539 -10.605 478 HB VAL 65 HB VAL 65 -13.902 10.190 -9.430 479 HG11 VAL 65 HG11 VAL 65 -11.114 10.122 -8.219 480 HG12 VAL 65 HG12 VAL 65 -12.625 9.716 -7.370 481 HG13 VAL 65 HG13 VAL 65 -12.054 8.688 -8.701 482 HG21 VAL 65 HG21 VAL 65 -13.415 11.970 -7.763 483 HG22 VAL 65 HG22 VAL 65 -12.045 12.501 -8.773 484 HG23 VAL 65 HG23 VAL 65 -13.709 12.586 -9.385 485 H LYS 66 H LYS 66 -14.506 9.995 -11.589 486 HA LYS 66 HA LYS 66 -14.357 7.334 -12.560 487 HB2 LYS 66 HB2 LYS 66 -16.219 9.694 -12.823 488 HB3 LYS 66 HB3 LYS 66 -16.583 8.175 -13.662 489 HG2 LYS 66 HG2 LYS 66 -16.815 6.984 -11.610 490 HG3 LYS 66 HG3 LYS 66 -16.014 8.256 -10.673 491 HD2 LYS 66 HD2 LYS 66 -17.878 9.819 -11.164 492 HD3 LYS 66 HD3 LYS 66 -18.724 8.532 -12.044 493 HE2 LYS 66 HE2 LYS 66 -18.899 7.175 -10.034 494 HE3 LYS 66 HE3 LYS 66 -17.810 8.254 -9.147 495 HZ1 LYS 66 HZ1 LYS 66 -19.442 9.980 -9.227 496 HZ2 LYS 66 HZ2 LYS 66 -20.471 9.093 -10.161 497 HZ3 LYS 66 HZ3 LYS 66 -20.164 8.650 -8.617 498 H VAL 67 H VAL 67 -12.795 9.965 -13.889 499 HA VAL 67 HA VAL 67 -12.678 8.842 -16.582 500 HB VAL 67 HB VAL 67 -12.411 11.597 -15.433 501 HG11 VAL 67 HG11 VAL 67 -11.301 10.756 -18.082 502 HG12 VAL 67 HG12 VAL 67 -11.676 12.466 -17.543 503 HG13 VAL 67 HG13 VAL 67 -10.455 11.521 -16.696 504 HG21 VAL 67 HG21 VAL 67 -13.891 10.542 -17.804 505 HG22 VAL 67 HG22 VAL 67 -14.523 10.567 -16.148 506 HG23 VAL 67 HG23 VAL 67 -14.100 12.114 -16.921 507 H PHE 68 H PHE 68 -10.635 9.937 -13.861 508 HA PHE 68 HA PHE 68 -8.196 8.943 -14.971 509 HB2 PHE 68 HB2 PHE 68 -9.253 9.325 -12.148 510 HB3 PHE 68 HB3 PHE 68 -7.610 8.747 -12.490 511 HD1 PHE 68 HD2 PHE 68 -6.191 10.279 -14.157 512 HD2 PHE 68 HD1 PHE 68 -9.501 11.643 -11.761 513 HE1 PHE 68 HE2 PHE 68 -5.356 12.609 -14.322 514 HE2 PHE 68 HE1 PHE 68 -8.714 13.974 -11.979 515 HZ PHE 68 HZ PHE 68 -6.605 14.461 -13.231 516 H LYS 69 H LYS 69 -11.039 7.438 -13.528 517 HA LYS 69 HA LYS 69 -10.220 4.746 -13.362 518 HB2 LYS 69 HB2 LYS 69 -12.335 5.484 -12.479 519 HB3 LYS 69 HB3 LYS 69 -12.792 6.231 -13.991 520 HG2 LYS 69 HG2 LYS 69 -12.433 3.262 -14.046 521 HG3 LYS 69 HG3 LYS 69 -13.817 3.902 -13.157 522 HD2 LYS 69 HD2 LYS 69 -14.764 4.973 -15.069 523 HD3 LYS 69 HD3 LYS 69 -13.278 4.883 -15.985 524 HE2 LYS 69 HE2 LYS 69 -14.669 3.205 -16.902 525 HE3 LYS 69 HE3 LYS 69 -13.412 2.383 -15.964 526 HZ1 LYS 69 HZ1 LYS 69 -15.047 2.093 -14.168 527 HZ2 LYS 69 HZ2 LYS 69 -16.196 2.885 -15.024 528 HZ3 LYS 69 HZ3 LYS 69 -15.632 1.448 -15.548 529 H ASP 70 H ASP 70 -11.073 6.688 -16.208 530 HA ASP 70 HA ASP 70 -10.846 4.526 -18.070 531 HB2 ASP 70 HB2 ASP 70 -12.316 6.550 -18.385 532 HB3 ASP 70 HB3 ASP 70 -10.821 7.415 -18.764 533 H ILE 71 H ILE 71 -8.693 7.080 -16.927 534 HA ILE 71 HA ILE 71 -6.571 6.291 -18.638 535 HB ILE 71 HB ILE 71 -6.999 8.444 -17.002 536 HG12 ILE 71 HG12 ILE 71 -5.475 8.151 -19.023 537 HG13 ILE 71 HG13 ILE 71 -4.963 9.311 -17.799 538 HG21 ILE 71 HG21 ILE 71 -5.037 8.632 -15.426 539 HG22 ILE 71 HG22 ILE 71 -6.361 7.681 -14.838 540 HG23 ILE 71 HG23 ILE 71 -4.921 6.866 -15.435 541 HD11 ILE 71 HD11 ILE 71 -3.352 7.815 -16.877 542 HD12 ILE 71 HD12 ILE 71 -3.985 6.442 -17.781 543 HD13 ILE 71 HD13 ILE 71 -3.131 7.757 -18.645 544 H ASP 72 H ASP 72 -7.396 5.317 -15.352 545 HA ASP 72 HA ASP 72 -5.390 3.376 -15.065 546 HB2 ASP 72 HB2 ASP 72 -6.637 4.268 -13.225 547 HB3 ASP 72 HB3 ASP 72 -8.136 3.722 -13.952 548 H ALA 73 H ALA 73 -8.583 3.058 -16.616 549 HA ALA 73 HA ALA 73 -8.360 0.315 -17.289 550 HB1 ALA 73 HB1 ALA 73 -10.096 0.862 -18.978 551 HB2 ALA 73 HB2 ALA 73 -10.452 1.646 -17.428 552 HB3 ALA 73 HB3 ALA 73 -9.783 2.596 -18.767 553 H ALA 74 H ALA 74 -6.367 2.866 -18.395 554 HA ALA 74 HA ALA 74 -5.360 1.310 -20.671 555 HB1 ALA 74 HB1 ALA 74 -4.152 3.412 -21.236 556 HB2 ALA 74 HB2 ALA 74 -5.912 3.657 -21.151 557 HB3 ALA 74 HB3 ALA 74 -4.883 4.206 -19.823 558 H ILE 75 H ILE 75 -4.404 2.638 -17.505 559 HA ILE 75 HA ILE 75 -1.792 1.568 -17.425 560 HB ILE 75 HB ILE 75 -3.744 1.944 -15.122 561 HG12 ILE 75 HG12 ILE 75 -1.411 3.698 -15.983 562 HG13 ILE 75 HG13 ILE 75 -3.030 3.972 -16.541 563 HG21 ILE 75 HG21 ILE 75 -1.720 1.943 -13.657 564 HG22 ILE 75 HG22 ILE 75 -1.983 0.385 -14.416 565 HG23 ILE 75 HG23 ILE 75 -0.729 1.472 -15.054 566 HD11 ILE 75 HD11 ILE 75 -2.584 5.483 -14.726 567 HD12 ILE 75 HD12 ILE 75 -3.725 4.283 -14.099 568 HD13 ILE 75 HD13 ILE 75 -2.004 4.182 -13.679 569 H LEU 76 H LEU 76 -4.936 0.131 -16.786 570 HA LEU 76 HA LEU 76 -4.569 -2.468 -15.979 571 HB2 LEU 76 HB2 LEU 76 -6.674 -1.157 -16.531 572 HB3 LEU 76 HB3 LEU 76 -6.310 -1.393 -18.236 573 HG LEU 76 HG LEU 76 -6.539 -3.895 -17.799 574 HD11 LEU 76 HD11 LEU 76 -6.348 -3.805 -15.311 575 HD12 LEU 76 HD12 LEU 76 -7.815 -2.796 -15.255 576 HD13 LEU 76 HD13 LEU 76 -7.908 -4.490 -15.802 577 HD21 LEU 76 HD21 LEU 76 -8.275 -2.553 -18.917 578 HD22 LEU 76 HD22 LEU 76 -8.994 -3.800 -17.887 579 HD23 LEU 76 HD23 LEU 76 -8.961 -2.109 -17.339 580 H GLU 77 H GLU 77 -4.198 -1.215 -19.293 581 HA GLU 77 HA GLU 77 -3.348 -3.700 -20.457 582 HB2 GLU 77 HB2 GLU 77 -3.800 -0.889 -21.469 583 HB3 GLU 77 HB3 GLU 77 -3.131 -2.163 -22.502 584 HG2 GLU 77 HG2 GLU 77 -5.797 -2.326 -21.027 585 HG3 GLU 77 HG3 GLU 77 -5.570 -1.892 -22.709 586 H HIS 78 H HIS 78 -1.662 -1.759 -18.466 587 HA HIS 78 HA HIS 78 0.932 -1.885 -19.954 588 HB2 HIS 78 HB2 HIS 78 -0.391 0.378 -19.537 589 HB3 HIS 78 HB3 HIS 78 0.178 0.205 -17.896 590 HD1 HIS 78 HD1 HIS 78 1.664 0.560 -21.460 591 HD2 HIS 78 HD2 HIS 78 2.630 1.007 -17.388 592 HE1 HIS 78 HE1 HIS 78 3.959 1.668 -21.389 593 H HIS 79 H HIS 79 -0.602 -2.203 -16.786 594 HA HIS 79 HA HIS 79 1.443 -2.024 -15.054 595 HB2 HIS 79 HB2 HIS 79 0.032 -2.963 -13.449 596 HB3 HIS 79 HB3 HIS 79 -1.047 -2.244 -14.627 597 HD1 HIS 79 HD1 HIS 79 -2.262 -4.215 -16.374 598 HD2 HIS 79 HD2 HIS 79 -0.312 -5.460 -12.847 599 HE1 HIS 79 HE1 HIS 79 -3.024 -6.588 -15.939 600 H HIS 80 H HIS 80 1.209 -4.829 -17.083 601 HA HIS 80 HA HIS 80 3.395 -6.172 -15.534 602 HB2 HIS 80 HB2 HIS 80 1.268 -7.076 -14.743 603 HB3 HIS 80 HB3 HIS 80 0.754 -7.415 -16.395 604 HD1 HIS 80 HD1 HIS 80 1.312 -9.829 -17.223 605 HD2 HIS 80 HD2 HIS 80 3.625 -8.515 -13.953 606 HE1 HIS 80 HE1 HIS 80 2.756 -11.813 -16.521 607 H HIS 81 H HIS 81 1.700 -5.886 -18.660 608 HA HIS 81 HA HIS 81 3.732 -7.627 -19.949 609 HB2 HIS 81 HB2 HIS 81 1.029 -6.608 -20.889 610 HB3 HIS 81 HB3 HIS 81 2.093 -7.670 -21.809 611 HD1 HIS 81 HD1 HIS 81 2.333 -10.225 -20.938 612 HD2 HIS 81 HD2 HIS 81 -0.336 -7.745 -18.829 613 HE1 HIS 81 HE1 HIS 81 0.948 -11.767 -19.453 614 H HIS 82 H HIS 82 3.484 -4.342 -19.431 615 HA HIS 82 HA HIS 82 5.197 -3.743 -21.782 616 HB2 HIS 82 HB2 HIS 82 2.599 -3.267 -22.034 617 HB3 HIS 82 HB3 HIS 82 2.967 -1.850 -21.062 618 HD1 HIS 82 HD1 HIS 82 5.459 -0.652 -22.340 619 HD2 HIS 82 HD2 HIS 82 2.526 -2.713 -24.535 620 HE1 HIS 82 HE1 HIS 82 5.704 0.129 -24.774 621 H HIS 83 H HIS 83 5.372 -3.885 -18.651 622 HA HIS 83 HA HIS 83 7.080 -1.501 -18.299 623 HB2 HIS 83 HB2 HIS 83 4.759 -0.925 -17.524 624 HB3 HIS 83 HB3 HIS 83 4.854 -2.238 -16.353 625 HD1 HIS 83 HD1 HIS 83 8.095 -1.221 -15.795 626 HD2 HIS 83 HD2 HIS 83 4.405 0.741 -15.356 627 HE1 HIS 83 HE1 HIS 83 8.484 0.671 -14.095 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -17.147 2.561 13.092 2 H2 MET 1 H2 MET 1 -16.610 1.700 11.810 3 H3 MET 1 H3 MET 1 -15.680 1.829 13.147 4 HA MET 1 HA MET 1 -16.409 4.051 11.347 5 HB2 MET 1 HB2 MET 1 -14.564 4.035 13.779 6 HB3 MET 1 HB3 MET 1 -14.694 5.355 12.614 7 HG2 MET 1 HG2 MET 1 -17.112 5.583 13.154 8 HG3 MET 1 HG3 MET 1 -16.936 4.362 14.415 9 HE1 MET 1 HE1 MET 1 -14.118 5.090 15.838 10 HE2 MET 1 HE2 MET 1 -14.758 6.135 17.120 11 HE3 MET 1 HE3 MET 1 -15.643 4.668 16.653 12 H ALA 2 H ALA 2 -14.884 4.645 9.795 13 HA ALA 2 HA ALA 2 -12.992 2.641 8.854 14 HB1 ALA 2 HB1 ALA 2 -12.353 4.459 7.256 15 HB2 ALA 2 HB2 ALA 2 -14.132 4.400 7.370 16 HB3 ALA 2 HB3 ALA 2 -13.182 5.655 8.230 17 H THR 3 H THR 3 -10.907 2.788 8.470 18 HA THR 3 HA THR 3 -9.220 4.034 10.535 19 HB THR 3 HB THR 3 -7.440 2.969 9.181 20 HG1 THR 3 HG1 THR 3 -8.084 1.265 7.793 21 HG21 THR 3 HG21 THR 3 -8.035 0.675 10.130 22 HG22 THR 3 HG22 THR 3 -8.412 2.004 11.252 23 HG23 THR 3 HG23 THR 3 -9.727 1.252 10.301 24 HA PRO 4 HA PRO 4 -8.669 7.505 8.408 25 HB2 PRO 4 HB2 PRO 4 -5.740 7.627 8.995 26 HB3 PRO 4 HB3 PRO 4 -7.060 8.789 9.401 27 HG2 PRO 4 HG2 PRO 4 -6.000 7.055 11.299 28 HG3 PRO 4 HG3 PRO 4 -7.740 7.509 11.267 29 HD2 PRO 4 HD2 PRO 4 -6.520 4.957 10.331 30 HD3 PRO 4 HD3 PRO 4 -8.015 5.345 11.201 31 H TRP 5 H TRP 5 -8.438 8.296 6.400 32 HA TRP 5 HA TRP 5 -7.548 6.602 4.272 33 HB2 TRP 5 HB2 TRP 5 -8.321 9.532 4.210 34 HB3 TRP 5 HB3 TRP 5 -8.309 8.422 2.848 35 HD1 TRP 5 HD1 TRP 5 -9.871 6.148 4.921 36 HE1 TRP 5 HE1 TRP 5 -12.418 6.362 5.053 37 HE3 TRP 5 HE3 TRP 5 -10.381 10.923 3.121 38 HZ2 TRP 5 HZ2 TRP 5 -14.431 8.344 4.463 39 HZ3 TRP 5 HZ3 TRP 5 -12.637 11.946 2.911 40 HH2 TRP 5 HH2 TRP 5 -14.664 10.672 3.579 41 H SER 6 H SER 6 -5.538 8.518 6.159 42 HA SER 6 HA SER 6 -4.071 10.148 4.594 43 HB2 SER 6 HB2 SER 6 -2.929 8.410 6.800 44 HB3 SER 6 HB3 SER 6 -2.311 9.981 6.249 45 HG SER 6 HG SER 6 -3.625 10.228 8.097 46 H GLY 7 H GLY 7 -3.749 6.664 4.347 47 HA2 GLY 7 HA2 GLY 7 -1.182 6.712 2.911 48 HA3 GLY 7 HA3 GLY 7 -2.231 5.323 3.185 49 H TYR 8 H TYR 8 -4.271 7.572 1.919 50 HA TYR 8 HA TYR 8 -3.682 7.108 -0.911 51 HB2 TYR 8 HB2 TYR 8 -5.385 5.431 0.384 52 HB3 TYR 8 HB3 TYR 8 -6.506 6.724 0.062 53 HD1 TYR 8 HD2 TYR 8 -3.979 4.516 -1.621 54 HD2 TYR 8 HD1 TYR 8 -7.559 6.880 -2.082 55 HE1 TYR 8 HE2 TYR 8 -4.242 3.670 -3.955 56 HE2 TYR 8 HE1 TYR 8 -7.819 6.037 -4.410 57 HH TYR 8 HH TYR 8 -6.958 4.693 -6.059 58 H LEU 9 H LEU 9 -5.432 8.886 1.520 59 HA LEU 9 HA LEU 9 -6.911 10.822 0.368 60 HB2 LEU 9 HB2 LEU 9 -6.575 10.531 2.764 61 HB3 LEU 9 HB3 LEU 9 -4.858 10.901 2.618 62 HG LEU 9 HG LEU 9 -5.430 13.271 2.063 63 HD11 LEU 9 HD11 LEU 9 -7.750 12.764 1.231 64 HD12 LEU 9 HD12 LEU 9 -8.243 12.466 2.909 65 HD13 LEU 9 HD13 LEU 9 -7.663 14.087 2.405 66 HD21 LEU 9 HD21 LEU 9 -6.100 13.876 4.358 67 HD22 LEU 9 HD22 LEU 9 -6.553 12.187 4.680 68 HD23 LEU 9 HD23 LEU 9 -4.859 12.613 4.358 69 H ASP 10 H ASP 10 -3.386 11.011 0.683 70 HA ASP 10 HA ASP 10 -3.226 13.684 -0.275 71 HB2 ASP 10 HB2 ASP 10 -1.722 12.503 1.391 72 HB3 ASP 10 HB3 ASP 10 -1.017 11.591 0.060 73 H ASP 11 H ASP 11 -4.092 11.321 -2.201 74 HA ASP 11 HA ASP 11 -3.053 12.770 -4.562 75 HB2 ASP 11 HB2 ASP 11 -1.728 10.619 -4.181 76 HB3 ASP 11 HB3 ASP 11 -3.228 9.724 -4.410 77 H VAL 12 H VAL 12 -5.684 12.010 -2.861 78 HA VAL 12 HA VAL 12 -7.523 12.065 -5.165 79 HB VAL 12 HB VAL 12 -7.907 11.057 -2.315 80 HG11 VAL 12 HG11 VAL 12 -9.989 12.109 -2.949 81 HG12 VAL 12 HG12 VAL 12 -9.973 11.290 -4.536 82 HG13 VAL 12 HG13 VAL 12 -10.185 10.360 -3.034 83 HG21 VAL 12 HG21 VAL 12 -6.709 9.484 -3.727 84 HG22 VAL 12 HG22 VAL 12 -8.336 8.883 -3.382 85 HG23 VAL 12 HG23 VAL 12 -7.975 9.590 -4.976 86 H SER 13 H SER 13 -7.217 13.141 -1.798 87 HA SER 13 HA SER 13 -8.816 15.499 -2.120 88 HB2 SER 13 HB2 SER 13 -8.586 14.339 0.019 89 HB3 SER 13 HB3 SER 13 -6.811 14.587 -0.012 90 HG SER 13 HG SER 13 -8.811 16.615 0.165 91 H ALA 14 H ALA 14 -5.290 14.856 -1.895 92 HA ALA 14 HA ALA 14 -4.652 17.554 -2.074 93 HB1 ALA 14 HB1 ALA 14 -3.138 15.869 -1.301 94 HB2 ALA 14 HB2 ALA 14 -2.943 15.282 -2.991 95 HB3 ALA 14 HB3 ALA 14 -2.412 16.925 -2.532 96 H LYS 15 H LYS 15 -5.300 15.235 -4.612 97 HA LYS 15 HA LYS 15 -4.710 16.740 -6.942 98 HB2 LYS 15 HB2 LYS 15 -4.972 14.315 -6.802 99 HB3 LYS 15 HB3 LYS 15 -6.696 14.486 -6.458 100 HG2 LYS 15 HG2 LYS 15 -7.142 15.327 -8.657 101 HG3 LYS 15 HG3 LYS 15 -5.408 15.556 -8.995 102 HD2 LYS 15 HD2 LYS 15 -5.057 13.109 -8.878 103 HD3 LYS 15 HD3 LYS 15 -6.789 12.868 -8.547 104 HE2 LYS 15 HE2 LYS 15 -7.373 13.871 -10.709 105 HE3 LYS 15 HE3 LYS 15 -5.679 14.269 -11.019 106 HZ1 LYS 15 HZ1 LYS 15 -6.717 11.495 -10.732 107 HZ2 LYS 15 HZ2 LYS 15 -6.381 12.212 -12.159 108 HZ3 LYS 15 HZ3 LYS 15 -5.176 11.902 -11.099 109 H PHE 16 H PHE 16 -7.291 17.092 -4.642 110 HA PHE 16 HA PHE 16 -8.784 18.870 -6.416 111 HB2 PHE 16 HB2 PHE 16 -10.681 18.493 -5.222 112 HB3 PHE 16 HB3 PHE 16 -9.890 16.937 -5.431 113 HD1 PHE 16 HD2 PHE 16 -9.137 19.125 -2.415 114 HD2 PHE 16 HD1 PHE 16 -11.310 15.790 -4.074 115 HE1 PHE 16 HE2 PHE 16 -9.909 18.523 -0.176 116 HE2 PHE 16 HE1 PHE 16 -12.038 15.147 -1.801 117 HZ PHE 16 HZ PHE 16 -11.309 16.482 0.167 118 H ASP 17 H ASP 17 -6.858 18.903 -3.633 119 HA ASP 17 HA ASP 17 -7.561 20.784 -2.044 120 HB2 ASP 17 HB2 ASP 17 -5.494 19.540 -1.827 121 HB3 ASP 17 HB3 ASP 17 -4.713 20.555 -3.043 122 H THR 18 H THR 18 -5.916 22.000 -4.991 123 HA THR 18 HA THR 18 -6.305 24.712 -4.050 124 HB THR 18 HB THR 18 -4.292 23.829 -5.309 125 HG1 THR 18 HG1 THR 18 -3.945 25.872 -6.154 126 HG21 THR 18 HG21 THR 18 -5.598 22.928 -7.267 127 HG22 THR 18 HG22 THR 18 -5.992 24.608 -7.707 128 HG23 THR 18 HG23 THR 18 -4.299 24.055 -7.718 129 H GLY 19 H GLY 19 -7.957 22.609 -6.330 130 HA2 GLY 19 HA2 GLY 19 -9.553 24.725 -7.604 131 HA3 GLY 19 HA3 GLY 19 -9.763 22.983 -7.786 132 H VAL 20 H VAL 20 -10.067 22.168 -5.135 133 HA VAL 20 HA VAL 20 -12.683 22.881 -4.375 134 HB VAL 20 HB VAL 20 -10.899 20.959 -3.526 135 HG11 VAL 20 HG11 VAL 20 -10.507 21.087 -1.186 136 HG12 VAL 20 HG12 VAL 20 -9.712 22.446 -1.979 137 HG13 VAL 20 HG13 VAL 20 -11.225 22.709 -1.084 138 HG21 VAL 20 HG21 VAL 20 -13.425 21.999 -2.161 139 HG22 VAL 20 HG22 VAL 20 -13.365 20.804 -3.445 140 HG23 VAL 20 HG23 VAL 20 -12.715 20.387 -1.859 141 H ASP 21 H ASP 21 -9.582 24.227 -3.371 142 HA ASP 21 HA ASP 21 -10.731 25.947 -1.489 143 HB2 ASP 21 HB2 ASP 21 -8.509 25.342 -1.194 144 HB3 ASP 21 HB3 ASP 21 -8.092 25.766 -2.836 145 H ASN 22 H ASN 22 -10.388 26.468 -4.981 146 HA ASN 22 HA ASN 22 -11.055 29.248 -4.789 147 HB2 ASN 22 HB2 ASN 22 -11.682 27.159 -6.963 148 HB3 ASN 22 HB3 ASN 22 -11.915 28.889 -7.159 149 HD21 ASN 22 HD22 ASN 22 -10.134 26.985 -8.670 150 HD22 ASN 22 HD21 ASN 22 -8.540 27.714 -8.549 151 H LEU 23 H LEU 23 -12.943 26.303 -4.570 152 HA LEU 23 HA LEU 23 -15.434 27.745 -4.544 153 HB2 LEU 23 HB2 LEU 23 -14.770 25.122 -5.181 154 HB3 LEU 23 HB3 LEU 23 -15.590 24.988 -3.644 155 HG LEU 23 HG LEU 23 -17.138 24.869 -5.489 156 HD11 LEU 23 HD11 LEU 23 -17.759 26.282 -3.380 157 HD12 LEU 23 HD12 LEU 23 -17.652 27.669 -4.465 158 HD13 LEU 23 HD13 LEU 23 -18.759 26.331 -4.817 159 HD21 LEU 23 HD21 LEU 23 -17.946 26.715 -6.861 160 HD22 LEU 23 HD22 LEU 23 -16.387 27.538 -6.564 161 HD23 LEU 23 HD23 LEU 23 -16.410 25.933 -7.355 162 H GLN 24 H GLN 24 -13.389 26.138 -2.172 163 HA GLN 24 HA GLN 24 -14.799 26.606 0.171 164 HB2 GLN 24 HB2 GLN 24 -12.583 25.291 -0.254 165 HB3 GLN 24 HB3 GLN 24 -11.807 26.881 0.002 166 HG2 GLN 24 HG2 GLN 24 -11.661 25.751 1.988 167 HG3 GLN 24 HG3 GLN 24 -12.869 27.040 2.190 168 HE21 GLN 24 HE22 GLN 24 -14.734 26.419 3.277 169 HE22 GLN 24 HE21 GLN 24 -15.326 24.765 3.327 170 H THR 25 H THR 25 -12.337 28.755 -1.388 171 HA THR 25 HA THR 25 -12.400 30.834 0.483 172 HB THR 25 HB THR 25 -10.789 30.432 -1.372 173 HG1 THR 25 HG1 THR 25 -10.319 32.628 -1.494 174 HG21 THR 25 HG21 THR 25 -10.995 31.446 -3.498 175 HG22 THR 25 HG22 THR 25 -12.297 30.298 -3.247 176 HG23 THR 25 HG23 THR 25 -12.633 32.048 -3.137 177 H GLN 26 H GLN 26 -14.295 30.371 -2.428 178 HA GLN 26 HA GLN 26 -16.090 32.514 -2.146 179 HB2 GLN 26 HB2 GLN 26 -15.832 30.031 -3.741 180 HB3 GLN 26 HB3 GLN 26 -17.488 30.327 -3.329 181 HG2 GLN 26 HG2 GLN 26 -17.440 32.553 -4.299 182 HG3 GLN 26 HG3 GLN 26 -15.684 32.443 -4.566 183 HE21 GLN 26 HE22 GLN 26 -15.067 30.289 -5.938 184 HE22 GLN 26 HE21 GLN 26 -16.092 30.109 -7.360 185 H VAL 27 H VAL 27 -16.706 29.143 -0.923 186 HA VAL 27 HA VAL 27 -19.124 29.907 0.268 187 HB VAL 27 HB VAL 27 -19.295 27.964 1.358 188 HG11 VAL 27 HG11 VAL 27 -18.832 26.271 -0.159 189 HG12 VAL 27 HG12 VAL 27 -18.610 27.688 -1.222 190 HG13 VAL 27 HG13 VAL 27 -17.208 26.856 -0.508 191 HG21 VAL 27 HG21 VAL 27 -16.348 27.501 1.624 192 HG22 VAL 27 HG22 VAL 27 -17.522 27.865 2.912 193 HG23 VAL 27 HG23 VAL 27 -17.632 26.346 2.033 194 H THR 28 H THR 28 -15.809 29.941 1.497 195 HA THR 28 HA THR 28 -16.398 30.613 4.168 196 HB THR 28 HB THR 28 -13.949 31.457 2.649 197 HG1 THR 28 HG1 THR 28 -14.151 29.217 2.515 198 HG21 THR 28 HG21 THR 28 -12.946 31.098 4.976 199 HG22 THR 28 HG22 THR 28 -13.966 32.543 4.683 200 HG23 THR 28 HG23 THR 28 -14.658 31.137 5.545 201 H GLU 29 H GLU 29 -16.069 32.618 1.226 202 HA GLU 29 HA GLU 29 -16.134 34.991 2.769 203 HB2 GLU 29 HB2 GLU 29 -16.480 34.504 -0.147 204 HB3 GLU 29 HB3 GLU 29 -16.595 36.084 0.601 205 HG2 GLU 29 HG2 GLU 29 -14.414 35.886 1.639 206 HG3 GLU 29 HG3 GLU 29 -14.131 34.346 0.888 207 H ALA 30 H ALA 30 -18.699 32.916 1.353 208 HA ALA 30 HA ALA 30 -20.915 34.642 1.993 209 HB1 ALA 30 HB1 ALA 30 -20.691 31.586 1.830 210 HB2 ALA 30 HB2 ALA 30 -22.184 32.493 2.006 211 HB3 ALA 30 HB3 ALA 30 -21.203 32.663 0.525 212 H LEU 31 H LEU 31 -19.125 32.155 3.741 213 HA LEU 31 HA LEU 31 -20.371 32.447 6.250 214 HB2 LEU 31 HB2 LEU 31 -18.921 30.550 5.433 215 HB3 LEU 31 HB3 LEU 31 -17.556 31.641 5.576 216 HG LEU 31 HG LEU 31 -18.260 31.922 8.072 217 HD11 LEU 31 HD11 LEU 31 -20.486 30.717 7.640 218 HD12 LEU 31 HD12 LEU 31 -19.520 29.241 7.482 219 HD13 LEU 31 HD13 LEU 31 -19.504 30.165 9.019 220 HD21 LEU 31 HD21 LEU 31 -16.244 30.957 7.259 221 HD22 LEU 31 HD22 LEU 31 -16.912 30.021 8.613 222 HD23 LEU 31 HD23 LEU 31 -17.065 29.418 6.893 223 H ASP 32 H ASP 32 -17.610 34.297 4.798 224 HA ASP 32 HA ASP 32 -16.895 35.740 7.072 225 HB2 ASP 32 HB2 ASP 32 -15.550 35.898 5.112 226 HB3 ASP 32 HB3 ASP 32 -16.862 36.467 4.110 227 H LYS 33 H LYS 33 -19.688 36.116 4.934 228 HA LYS 33 HA LYS 33 -20.821 38.347 6.300 229 HB2 LYS 33 HB2 LYS 33 -22.481 36.502 4.738 230 HB3 LYS 33 HB3 LYS 33 -22.537 38.264 4.978 231 HG2 LYS 33 HG2 LYS 33 -21.038 36.554 3.062 232 HG3 LYS 33 HG3 LYS 33 -22.074 37.907 2.721 233 HD2 LYS 33 HD2 LYS 33 -20.268 39.400 3.742 234 HD3 LYS 33 HD3 LYS 33 -19.189 37.971 3.698 235 HE2 LYS 33 HE2 LYS 33 -19.546 37.658 1.340 236 HE3 LYS 33 HE3 LYS 33 -20.576 39.105 1.275 237 HZ1 LYS 33 HZ1 LYS 33 -18.240 39.577 0.648 238 HZ2 LYS 33 HZ2 LYS 33 -18.662 40.426 1.977 239 HZ3 LYS 33 HZ3 LYS 33 -17.723 39.102 2.128 240 H LEU 34 H LEU 34 -21.340 34.818 6.410 241 HA LEU 34 HA LEU 34 -23.431 34.946 8.273 242 HB2 LEU 34 HB2 LEU 34 -22.529 33.155 6.598 243 HB3 LEU 34 HB3 LEU 34 -21.930 32.395 8.096 244 HG LEU 34 HG LEU 34 -24.798 33.276 7.528 245 HD11 LEU 34 HD11 LEU 34 -23.568 30.546 7.322 246 HD12 LEU 34 HD12 LEU 34 -25.290 30.982 7.073 247 HD13 LEU 34 HD13 LEU 34 -24.058 31.651 6.005 248 HD21 LEU 34 HD21 LEU 34 -24.078 31.084 9.483 249 HD22 LEU 34 HD22 LEU 34 -24.284 32.758 9.942 250 HD23 LEU 34 HD23 LEU 34 -25.650 31.913 9.166 251 H ALA 35 H ALA 35 -20.012 34.977 8.744 252 HA ALA 35 HA ALA 35 -20.062 34.551 11.604 253 HB1 ALA 35 HB1 ALA 35 -18.212 33.846 10.168 254 HB2 ALA 35 HB2 ALA 35 -17.910 35.533 9.691 255 HB3 ALA 35 HB3 ALA 35 -17.670 35.032 11.387 256 H ALA 36 H ALA 36 -20.602 37.229 9.396 257 HA ALA 36 HA ALA 36 -20.195 39.424 11.255 258 HB1 ALA 36 HB1 ALA 36 -19.648 39.624 8.859 259 HB2 ALA 36 HB2 ALA 36 -21.353 39.441 8.415 260 HB3 ALA 36 HB3 ALA 36 -20.833 40.828 9.378 261 H LYS 37 H LYS 37 -23.098 38.131 9.637 262 HA LYS 37 HA LYS 37 -24.940 39.227 11.773 263 HB2 LYS 37 HB2 LYS 37 -24.634 40.607 9.515 264 HB3 LYS 37 HB3 LYS 37 -25.430 39.237 8.820 265 HG2 LYS 37 HG2 LYS 37 -27.396 39.716 10.412 266 HG3 LYS 37 HG3 LYS 37 -26.574 41.213 10.838 267 HD2 LYS 37 HD2 LYS 37 -27.229 40.373 7.976 268 HD3 LYS 37 HD3 LYS 37 -28.337 41.341 8.951 269 HE2 LYS 37 HE2 LYS 37 -25.487 42.168 8.213 270 HE3 LYS 37 HE3 LYS 37 -26.929 42.639 7.316 271 HZ1 LYS 37 HZ1 LYS 37 -27.754 43.753 9.316 272 HZ2 LYS 37 HZ2 LYS 37 -26.410 43.347 10.154 273 HZ3 LYS 37 HZ3 LYS 37 -26.305 44.362 8.883 274 HA PRO 38 HA PRO 38 -24.607 34.832 10.194 275 HB2 PRO 38 HB2 PRO 38 -25.767 33.795 12.718 276 HB3 PRO 38 HB3 PRO 38 -24.274 33.401 11.832 277 HG2 PRO 38 HG2 PRO 38 -24.681 35.344 14.005 278 HG3 PRO 38 HG3 PRO 38 -23.131 34.772 13.323 279 HD2 PRO 38 HD2 PRO 38 -24.194 37.321 12.976 280 HD3 PRO 38 HD3 PRO 38 -23.022 36.578 11.853 281 H SER 39 H SER 39 -27.729 34.563 11.940 282 HA SER 39 HA SER 39 -28.459 32.963 9.702 283 HB2 SER 39 HB2 SER 39 -30.452 32.429 10.892 284 HB3 SER 39 HB3 SER 39 -28.998 32.193 11.841 285 HG SER 39 HG SER 39 -30.673 33.266 13.056 286 H ASP 40 H ASP 40 -28.256 36.100 9.585 287 HA ASP 40 HA ASP 40 -30.611 37.159 8.438 288 HB2 ASP 40 HB2 ASP 40 -28.691 38.586 8.777 289 HB3 ASP 40 HB3 ASP 40 -27.720 37.649 7.700 290 HA PRO 41 HA PRO 41 -30.729 33.641 5.824 291 HB2 PRO 41 HB2 PRO 41 -33.139 33.981 4.514 292 HB3 PRO 41 HB3 PRO 41 -32.961 33.458 6.223 293 HG2 PRO 41 HG2 PRO 41 -33.428 36.267 5.100 294 HG3 PRO 41 HG3 PRO 41 -34.346 35.458 6.427 295 HD2 PRO 41 HD2 PRO 41 -32.341 37.190 6.950 296 HD3 PRO 41 HD3 PRO 41 -32.573 35.718 7.943 297 H ALA 42 H ALA 42 -30.917 36.841 4.357 298 HA ALA 42 HA ALA 42 -30.634 35.912 1.690 299 HB1 ALA 42 HB1 ALA 42 -31.551 38.090 2.402 300 HB2 ALA 42 HB2 ALA 42 -29.946 38.592 2.973 301 HB3 ALA 42 HB3 ALA 42 -30.214 38.296 1.235 302 H LEU 43 H LEU 43 -28.165 36.891 4.170 303 HA LEU 43 HA LEU 43 -25.961 36.086 2.412 304 HB2 LEU 43 HB2 LEU 43 -24.548 36.792 4.104 305 HB3 LEU 43 HB3 LEU 43 -25.854 37.972 4.063 306 HG LEU 43 HG LEU 43 -26.790 36.529 6.062 307 HD11 LEU 43 HD11 LEU 43 -23.852 36.066 6.262 308 HD12 LEU 43 HD12 LEU 43 -25.124 35.542 7.410 309 HD13 LEU 43 HD13 LEU 43 -24.891 34.746 5.835 310 HD21 LEU 43 HD21 LEU 43 -26.007 38.738 6.554 311 HD22 LEU 43 HD22 LEU 43 -25.201 37.594 7.679 312 HD23 LEU 43 HD23 LEU 43 -24.295 38.236 6.295 313 H LEU 44 H LEU 44 -27.643 34.613 5.246 314 HA LEU 44 HA LEU 44 -25.897 32.300 5.365 315 HB2 LEU 44 HB2 LEU 44 -26.951 32.410 7.305 316 HB3 LEU 44 HB3 LEU 44 -28.295 33.230 6.759 317 HG LEU 44 HG LEU 44 -29.028 31.307 7.774 318 HD11 LEU 44 HD11 LEU 44 -29.262 30.208 4.976 319 HD12 LEU 44 HD12 LEU 44 -30.443 30.221 6.287 320 HD13 LEU 44 HD13 LEU 44 -30.094 31.717 5.401 321 HD21 LEU 44 HD21 LEU 44 -27.148 29.974 7.855 322 HD22 LEU 44 HD22 LEU 44 -28.408 29.017 7.057 323 HD23 LEU 44 HD23 LEU 44 -27.121 29.726 6.050 324 H ALA 45 H ALA 45 -29.009 32.747 3.445 325 HA ALA 45 HA ALA 45 -28.566 30.093 2.541 326 HB1 ALA 45 HB1 ALA 45 -30.764 30.983 2.671 327 HB2 ALA 45 HB2 ALA 45 -30.414 32.219 1.411 328 HB3 ALA 45 HB3 ALA 45 -30.421 30.469 1.015 329 H ALA 46 H ALA 46 -27.154 33.110 1.471 330 HA ALA 46 HA ALA 46 -26.239 32.086 -1.046 331 HB1 ALA 46 HB1 ALA 46 -24.977 34.243 0.685 332 HB2 ALA 46 HB2 ALA 46 -24.649 33.876 -1.031 333 HB3 ALA 46 HB3 ALA 46 -26.242 34.497 -0.548 334 H TYR 47 H TYR 47 -25.026 31.962 2.336 335 HA TYR 47 HA TYR 47 -22.668 30.440 1.833 336 HB2 TYR 47 HB2 TYR 47 -23.346 31.532 4.060 337 HB3 TYR 47 HB3 TYR 47 -24.470 30.291 4.225 338 HD1 TYR 47 HD1 TYR 47 -20.830 30.124 3.364 339 HD2 TYR 47 HD2 TYR 47 -24.125 28.581 5.655 340 HE1 TYR 47 HE1 TYR 47 -19.342 28.380 4.320 341 HE2 TYR 47 HE2 TYR 47 -22.640 26.854 6.632 342 HH TYR 47 HH TYR 47 -20.521 25.964 6.686 343 H GLN 48 H GLN 48 -25.950 29.429 2.730 344 HA GLN 48 HA GLN 48 -25.642 26.711 2.446 345 HB2 GLN 48 HB2 GLN 48 -28.171 28.177 1.684 346 HB3 GLN 48 HB3 GLN 48 -27.990 26.509 2.154 347 HG2 GLN 48 HG2 GLN 48 -27.618 28.783 4.027 348 HG3 GLN 48 HG3 GLN 48 -28.989 27.792 3.935 349 HE21 GLN 48 HE22 GLN 48 -28.772 25.445 4.565 350 HE22 GLN 48 HE21 GLN 48 -27.454 25.010 5.643 351 H SER 49 H SER 49 -26.109 29.076 -0.124 352 HA SER 49 HA SER 49 -26.397 27.169 -2.195 353 HB2 SER 49 HB2 SER 49 -25.492 30.145 -2.288 354 HB3 SER 49 HB3 SER 49 -25.831 29.186 -3.719 355 HG SER 49 HG SER 49 -27.663 29.807 -1.616 356 H LYS 50 H LYS 50 -23.586 29.145 -1.166 357 HA LYS 50 HA LYS 50 -21.821 27.996 -3.081 358 HB2 LYS 50 HB2 LYS 50 -21.331 29.569 -0.465 359 HB3 LYS 50 HB3 LYS 50 -20.082 29.140 -1.619 360 HG2 LYS 50 HG2 LYS 50 -22.390 30.398 -2.994 361 HG3 LYS 50 HG3 LYS 50 -21.676 31.416 -1.761 362 HD2 LYS 50 HD2 LYS 50 -20.649 31.869 -3.826 363 HD3 LYS 50 HD3 LYS 50 -19.482 31.111 -2.698 364 HE2 LYS 50 HE2 LYS 50 -18.958 29.622 -4.286 365 HE3 LYS 50 HE3 LYS 50 -20.537 28.945 -4.055 366 HZ1 LYS 50 HZ1 LYS 50 -19.733 31.012 -6.057 367 HZ2 LYS 50 HZ2 LYS 50 -20.246 29.515 -6.396 368 HZ3 LYS 50 HZ3 LYS 50 -21.312 30.614 -5.812 369 H LEU 51 H LEU 51 -22.589 27.088 0.178 370 HA LEU 51 HA LEU 51 -20.871 24.926 0.728 371 HB2 LEU 51 HB2 LEU 51 -22.340 26.015 2.300 372 HB3 LEU 51 HB3 LEU 51 -23.710 25.850 1.290 373 HG LEU 51 HG LEU 51 -22.485 23.504 2.765 374 HD11 LEU 51 HD11 LEU 51 -24.152 23.934 4.444 375 HD12 LEU 51 HD12 LEU 51 -23.417 25.524 4.125 376 HD13 LEU 51 HD13 LEU 51 -24.982 25.113 3.420 377 HD21 LEU 51 HD21 LEU 51 -25.142 23.955 1.297 378 HD22 LEU 51 HD22 LEU 51 -23.944 22.683 0.968 379 HD23 LEU 51 HD23 LEU 51 -24.885 22.633 2.455 380 H SER 52 H SER 52 -23.890 25.068 -1.199 381 HA SER 52 HA SER 52 -23.727 22.322 -1.990 382 HB2 SER 52 HB2 SER 52 -25.294 24.533 -3.328 383 HB3 SER 52 HB3 SER 52 -25.463 22.782 -3.518 384 HG SER 52 HG SER 52 -26.031 24.326 -1.188 385 H GLU 53 H GLU 53 -22.816 25.414 -3.608 386 HA GLU 53 HA GLU 53 -22.022 24.346 -6.063 387 HB2 GLU 53 HB2 GLU 53 -20.819 26.638 -4.599 388 HB3 GLU 53 HB3 GLU 53 -20.467 26.109 -6.266 389 HG2 GLU 53 HG2 GLU 53 -22.906 27.513 -5.292 390 HG3 GLU 53 HG3 GLU 53 -21.536 28.031 -6.316 391 H TYR 54 H TYR 54 -20.227 24.623 -3.025 392 HA TYR 54 HA TYR 54 -17.734 23.686 -4.028 393 HB2 TYR 54 HB2 TYR 54 -17.294 24.753 -2.100 394 HB3 TYR 54 HB3 TYR 54 -18.867 24.491 -1.474 395 HD1 TYR 54 HD2 TYR 54 -15.431 23.292 -1.706 396 HD2 TYR 54 HD1 TYR 54 -19.343 22.539 -0.071 397 HE1 TYR 54 HE2 TYR 54 -14.435 21.814 -0.025 398 HE2 TYR 54 HE1 TYR 54 -18.399 21.030 1.586 399 HH TYR 54 HH TYR 54 -16.434 20.251 2.574 400 H ASN 55 H ASN 55 -20.543 21.995 -2.647 401 HA ASN 55 HA ASN 55 -19.306 19.463 -2.874 402 HB2 ASN 55 HB2 ASN 55 -21.691 20.386 -1.742 403 HB3 ASN 55 HB3 ASN 55 -22.200 19.420 -3.129 404 HD21 ASN 55 HD22 ASN 55 -23.158 17.841 -1.737 405 HD22 ASN 55 HD21 ASN 55 -22.129 16.710 -0.871 406 H LEU 56 H LEU 56 -21.072 21.517 -5.216 407 HA LEU 56 HA LEU 56 -21.281 19.620 -7.370 408 HB2 LEU 56 HB2 LEU 56 -21.431 22.574 -7.026 409 HB3 LEU 56 HB3 LEU 56 -21.122 22.058 -8.612 410 HG LEU 56 HG LEU 56 -23.201 21.058 -8.911 411 HD11 LEU 56 HD11 LEU 56 -24.915 20.709 -7.196 412 HD12 LEU 56 HD12 LEU 56 -23.480 19.745 -6.840 413 HD13 LEU 56 HD13 LEU 56 -23.794 21.237 -5.931 414 HD21 LEU 56 HD21 LEU 56 -24.732 22.884 -8.383 415 HD22 LEU 56 HD22 LEU 56 -23.670 23.452 -7.074 416 HD23 LEU 56 HD23 LEU 56 -23.131 23.568 -8.749 417 H TYR 57 H TYR 57 -18.795 22.064 -6.502 418 HA TYR 57 HA TYR 57 -16.937 21.484 -8.510 419 HB2 TYR 57 HB2 TYR 57 -16.395 23.314 -7.245 420 HB3 TYR 57 HB3 TYR 57 -16.617 22.503 -5.712 421 HD1 TYR 57 HD1 TYR 57 -15.059 20.743 -4.971 422 HD2 TYR 57 HD2 TYR 57 -14.292 23.038 -8.533 423 HE1 TYR 57 HE1 TYR 57 -12.994 19.464 -5.322 424 HE2 TYR 57 HE2 TYR 57 -12.095 21.897 -8.794 425 HH TYR 57 HH TYR 57 -10.747 20.226 -8.073 426 H ARG 58 H ARG 58 -17.612 19.847 -5.467 427 HA ARG 58 HA ARG 58 -15.846 17.639 -5.721 428 HB2 ARG 58 HB2 ARG 58 -17.690 18.764 -3.872 429 HB3 ARG 58 HB3 ARG 58 -18.309 17.162 -4.127 430 HG2 ARG 58 HG2 ARG 58 -16.986 17.052 -2.244 431 HG3 ARG 58 HG3 ARG 58 -15.902 16.381 -3.494 432 HD2 ARG 58 HD2 ARG 58 -14.865 18.632 -3.755 433 HD3 ARG 58 HD3 ARG 58 -15.951 19.308 -2.560 434 HE ARG 58 HE ARG 58 -13.513 17.865 -2.026 435 HH11 ARG 58 HH21 ARG 58 -16.710 18.327 -0.652 436 HH12 ARG 58 HH22 ARG 58 -16.101 18.320 0.978 437 HH21 ARG 58 HH11 ARG 58 -12.827 17.911 0.095 438 HH22 ARG 58 HH12 ARG 58 -13.990 18.020 1.387 439 H ASN 59 H ASN 59 -19.233 18.011 -6.706 440 HA ASN 59 HA ASN 59 -19.747 15.343 -7.439 441 HB2 ASN 59 HB2 ASN 59 -21.462 17.210 -7.200 442 HB3 ASN 59 HB3 ASN 59 -20.898 17.847 -8.743 443 HD21 ASN 59 HD22 ASN 59 -22.626 15.160 -7.205 444 HD22 ASN 59 HD21 ASN 59 -23.291 14.550 -8.712 445 H ALA 60 H ALA 60 -18.506 18.073 -9.308 446 HA ALA 60 HA ALA 60 -17.818 16.698 -11.707 447 HB1 ALA 60 HB1 ALA 60 -16.495 18.836 -12.008 448 HB2 ALA 60 HB2 ALA 60 -18.161 19.180 -11.417 449 HB3 ALA 60 HB3 ALA 60 -16.814 19.250 -10.301 450 H GLN 61 H GLN 61 -15.849 17.557 -8.853 451 HA GLN 61 HA GLN 61 -13.785 15.741 -9.624 452 HB2 GLN 61 HB2 GLN 61 -13.541 17.893 -8.537 453 HB3 GLN 61 HB3 GLN 61 -14.035 17.103 -7.013 454 HG2 GLN 61 HG2 GLN 61 -11.776 16.717 -6.802 455 HG3 GLN 61 HG3 GLN 61 -12.091 15.354 -7.873 456 HE21 GLN 61 HE22 GLN 61 -9.532 16.445 -7.650 457 HE22 GLN 61 HE21 GLN 61 -9.138 17.266 -9.148 458 H SER 62 H SER 62 -16.134 14.595 -9.468 459 HA SER 62 HA SER 62 -15.530 12.164 -8.003 460 HB2 SER 62 HB2 SER 62 -17.222 13.142 -6.610 461 HB3 SER 62 HB3 SER 62 -18.300 13.358 -8.004 462 HG SER 62 HG SER 62 -18.766 11.447 -6.777 463 H ASN 63 H ASN 63 -17.300 13.825 -10.598 464 HA ASN 63 HA ASN 63 -17.821 11.645 -12.242 465 HB2 ASN 63 HB2 ASN 63 -18.550 14.162 -12.305 466 HB3 ASN 63 HB3 ASN 63 -17.089 14.479 -13.167 467 HD21 ASN 63 HD22 ASN 63 -20.290 13.079 -13.439 468 HD22 ASN 63 HD21 ASN 63 -20.171 12.742 -15.160 469 H THR 64 H THR 64 -15.129 13.853 -12.375 470 HA THR 64 HA THR 64 -13.576 12.658 -14.365 471 HB THR 64 HB THR 64 -13.361 14.869 -13.523 472 HG1 THR 64 HG1 THR 64 -11.525 14.167 -14.530 473 HG21 THR 64 HG21 THR 64 -13.719 14.224 -11.111 474 HG22 THR 64 HG22 THR 64 -11.957 13.924 -11.045 475 HG23 THR 64 HG23 THR 64 -12.577 15.540 -11.463 476 H VAL 65 H VAL 65 -13.527 12.139 -10.991 477 HA VAL 65 HA VAL 65 -11.462 10.293 -10.649 478 HB VAL 65 HB VAL 65 -14.070 10.211 -9.174 479 HG11 VAL 65 HG11 VAL 65 -12.190 8.733 -8.455 480 HG12 VAL 65 HG12 VAL 65 -11.176 10.183 -8.237 481 HG13 VAL 65 HG13 VAL 65 -12.604 9.930 -7.207 482 HG21 VAL 65 HG21 VAL 65 -12.092 12.509 -8.993 483 HG22 VAL 65 HG22 VAL 65 -13.811 12.591 -9.429 484 HG23 VAL 65 HG23 VAL 65 -13.350 12.148 -7.789 485 H LYS 66 H LYS 66 -14.928 9.765 -11.196 486 HA LYS 66 HA LYS 66 -14.854 6.994 -11.850 487 HB2 LYS 66 HB2 LYS 66 -16.839 9.226 -11.826 488 HB3 LYS 66 HB3 LYS 66 -17.203 7.875 -12.887 489 HG2 LYS 66 HG2 LYS 66 -18.259 7.529 -10.763 490 HG3 LYS 66 HG3 LYS 66 -17.031 6.290 -11.048 491 HD2 LYS 66 HD2 LYS 66 -15.499 7.473 -9.461 492 HD3 LYS 66 HD3 LYS 66 -16.730 8.717 -9.236 493 HE2 LYS 66 HE2 LYS 66 -16.858 7.272 -7.360 494 HE3 LYS 66 HE3 LYS 66 -18.307 7.040 -8.337 495 HZ1 LYS 66 HZ1 LYS 66 -15.940 5.233 -8.343 496 HZ2 LYS 66 HZ2 LYS 66 -17.353 4.928 -7.591 497 HZ3 LYS 66 HZ3 LYS 66 -17.306 4.996 -9.216 498 H VAL 67 H VAL 67 -13.497 9.425 -13.628 499 HA VAL 67 HA VAL 67 -13.786 8.064 -16.195 500 HB VAL 67 HB VAL 67 -13.252 10.875 -15.336 501 HG11 VAL 67 HG11 VAL 67 -12.796 11.556 -17.579 502 HG12 VAL 67 HG12 VAL 67 -11.504 10.597 -16.865 503 HG13 VAL 67 HG13 VAL 67 -12.590 9.796 -18.046 504 HG21 VAL 67 HG21 VAL 67 -15.484 9.880 -15.669 505 HG22 VAL 67 HG22 VAL 67 -15.121 11.365 -16.584 506 HG23 VAL 67 HG23 VAL 67 -15.093 9.742 -17.391 507 H PHE 68 H PHE 68 -11.330 9.278 -13.902 508 HA PHE 68 HA PHE 68 -9.134 8.028 -15.250 509 HB2 PHE 68 HB2 PHE 68 -9.707 8.758 -12.355 510 HB3 PHE 68 HB3 PHE 68 -8.148 8.108 -12.910 511 HD1 PHE 68 HD2 PHE 68 -7.140 9.439 -15.062 512 HD2 PHE 68 HD1 PHE 68 -9.788 11.094 -12.090 513 HE1 PHE 68 HE2 PHE 68 -6.411 11.730 -15.680 514 HE2 PHE 68 HE1 PHE 68 -9.106 13.381 -12.748 515 HZ PHE 68 HZ PHE 68 -7.404 13.707 -14.538 516 H LYS 69 H LYS 69 -11.745 6.874 -13.148 517 HA LYS 69 HA LYS 69 -11.005 4.173 -12.839 518 HB2 LYS 69 HB2 LYS 69 -12.991 5.001 -11.739 519 HB3 LYS 69 HB3 LYS 69 -13.601 5.718 -13.215 520 HG2 LYS 69 HG2 LYS 69 -13.418 2.725 -13.165 521 HG3 LYS 69 HG3 LYS 69 -14.654 3.486 -12.175 522 HD2 LYS 69 HD2 LYS 69 -15.843 4.363 -13.960 523 HD3 LYS 69 HD3 LYS 69 -14.461 4.442 -15.031 524 HE2 LYS 69 HE2 LYS 69 -14.427 1.919 -15.124 525 HE3 LYS 69 HE3 LYS 69 -15.933 1.917 -14.196 526 HZ1 LYS 69 HZ1 LYS 69 -16.935 3.236 -16.021 527 HZ2 LYS 69 HZ2 LYS 69 -15.550 3.154 -16.895 528 HZ3 LYS 69 HZ3 LYS 69 -16.392 1.798 -16.567 529 H ASP 70 H ASP 70 -12.281 5.890 -15.647 530 HA ASP 70 HA ASP 70 -12.525 3.576 -17.295 531 HB2 ASP 70 HB2 ASP 70 -13.751 5.974 -17.326 532 HB3 ASP 70 HB3 ASP 70 -12.558 6.208 -18.609 533 H ILE 71 H ILE 71 -10.052 6.006 -16.794 534 HA ILE 71 HA ILE 71 -8.392 4.963 -18.860 535 HB ILE 71 HB ILE 71 -8.347 7.262 -17.393 536 HG12 ILE 71 HG12 ILE 71 -7.249 6.678 -19.610 537 HG13 ILE 71 HG13 ILE 71 -6.433 7.882 -18.615 538 HG21 ILE 71 HG21 ILE 71 -7.370 6.652 -15.309 539 HG22 ILE 71 HG22 ILE 71 -6.125 5.662 -16.065 540 HG23 ILE 71 HG23 ILE 71 -6.118 7.426 -16.220 541 HD11 ILE 71 HD11 ILE 71 -4.906 6.119 -19.623 542 HD12 ILE 71 HD12 ILE 71 -4.796 6.322 -17.857 543 HD13 ILE 71 HD13 ILE 71 -5.680 4.947 -18.517 544 H ASP 72 H ASP 72 -8.517 4.345 -15.377 545 HA ASP 72 HA ASP 72 -6.682 2.229 -15.257 546 HB2 ASP 72 HB2 ASP 72 -7.475 3.407 -13.365 547 HB3 ASP 72 HB3 ASP 72 -9.129 2.924 -13.722 548 H ALA 73 H ALA 73 -10.128 2.108 -16.215 549 HA ALA 73 HA ALA 73 -10.290 -0.686 -16.540 550 HB1 ALA 73 HB1 ALA 73 -12.137 -0.232 -18.081 551 HB2 ALA 73 HB2 ALA 73 -12.222 0.873 -16.696 552 HB3 ALA 73 HB3 ALA 73 -11.626 1.453 -18.263 553 H ALA 74 H ALA 74 -8.592 1.702 -18.551 554 HA ALA 74 HA ALA 74 -7.951 -0.106 -20.674 555 HB1 ALA 74 HB1 ALA 74 -7.972 2.564 -20.591 556 HB2 ALA 74 HB2 ALA 74 -6.300 2.337 -20.065 557 HB3 ALA 74 HB3 ALA 74 -6.812 1.679 -21.620 558 H ILE 75 H ILE 75 -6.352 0.912 -17.653 559 HA ILE 75 HA ILE 75 -3.973 -0.635 -17.893 560 HB ILE 75 HB ILE 75 -5.487 0.374 -15.444 561 HG12 ILE 75 HG12 ILE 75 -3.656 1.858 -15.019 562 HG13 ILE 75 HG13 ILE 75 -2.726 1.186 -16.324 563 HG21 ILE 75 HG21 ILE 75 -3.494 -0.234 -14.077 564 HG22 ILE 75 HG22 ILE 75 -4.384 -1.626 -14.661 565 HG23 ILE 75 HG23 ILE 75 -2.866 -1.154 -15.462 566 HD11 ILE 75 HD11 ILE 75 -3.431 3.356 -16.945 567 HD12 ILE 75 HD12 ILE 75 -4.338 2.230 -17.958 568 HD13 ILE 75 HD13 ILE 75 -5.104 3.009 -16.538 569 H LEU 76 H LEU 76 -7.195 -1.462 -16.579 570 HA LEU 76 HA LEU 76 -6.771 -4.137 -15.782 571 HB2 LEU 76 HB2 LEU 76 -9.037 -2.398 -16.579 572 HB3 LEU 76 HB3 LEU 76 -9.331 -4.082 -16.904 573 HG LEU 76 HG LEU 76 -8.973 -4.657 -14.581 574 HD11 LEU 76 HD11 LEU 76 -8.716 -2.973 -12.815 575 HD12 LEU 76 HD12 LEU 76 -7.318 -2.937 -13.895 576 HD13 LEU 76 HD13 LEU 76 -8.576 -1.693 -14.033 577 HD21 LEU 76 HD21 LEU 76 -11.219 -3.966 -15.336 578 HD22 LEU 76 HD22 LEU 76 -10.947 -3.562 -13.633 579 HD23 LEU 76 HD23 LEU 76 -10.859 -2.289 -14.869 580 H GLU 77 H GLU 77 -7.723 -2.966 -19.038 581 HA GLU 77 HA GLU 77 -7.386 -5.433 -20.389 582 HB2 GLU 77 HB2 GLU 77 -7.510 -2.580 -21.337 583 HB3 GLU 77 HB3 GLU 77 -7.389 -3.951 -22.439 584 HG2 GLU 77 HG2 GLU 77 -9.611 -3.573 -20.386 585 HG3 GLU 77 HG3 GLU 77 -9.700 -3.191 -22.093 586 H HIS 78 H HIS 78 -4.967 -3.868 -18.864 587 HA HIS 78 HA HIS 78 -2.828 -4.728 -20.760 588 HB2 HIS 78 HB2 HIS 78 -3.345 -2.135 -20.175 589 HB3 HIS 78 HB3 HIS 78 -2.414 -2.520 -18.752 590 HD1 HIS 78 HD1 HIS 78 -0.005 -4.099 -19.782 591 HD2 HIS 78 HD2 HIS 78 -1.803 -0.923 -21.869 592 HE1 HIS 78 HE1 HIS 78 1.782 -3.192 -21.382 593 H HIS 79 H HIS 79 -4.260 -5.514 -17.839 594 HA HIS 79 HA HIS 79 -1.763 -6.635 -16.669 595 HB2 HIS 79 HB2 HIS 79 -2.247 -4.295 -15.832 596 HB3 HIS 79 HB3 HIS 79 -3.733 -4.913 -15.120 597 HD1 HIS 79 HD1 HIS 79 0.089 -5.716 -14.908 598 HD2 HIS 79 HD2 HIS 79 -3.455 -5.685 -12.637 599 HE1 HIS 79 HE1 HIS 79 0.759 -6.349 -12.531 600 H HIS 80 H HIS 80 -3.359 -8.292 -17.931 601 HA HIS 80 HA HIS 80 -5.367 -9.581 -16.289 602 HB2 HIS 80 HB2 HIS 80 -3.885 -10.549 -18.765 603 HB3 HIS 80 HB3 HIS 80 -5.329 -11.287 -18.069 604 HD1 HIS 80 HD1 HIS 80 -7.457 -9.221 -17.850 605 HD2 HIS 80 HD2 HIS 80 -4.460 -9.041 -20.801 606 HE1 HIS 80 HE1 HIS 80 -8.362 -7.718 -19.692 607 H HIS 81 H HIS 81 -3.399 -9.374 -14.522 608 HA HIS 81 HA HIS 81 -1.401 -11.410 -14.512 609 HB2 HIS 81 HB2 HIS 81 -0.739 -10.505 -12.459 610 HB3 HIS 81 HB3 HIS 81 -1.381 -9.139 -13.355 611 HD1 HIS 81 HD1 HIS 81 -1.894 -11.099 -10.169 612 HD2 HIS 81 HD2 HIS 81 -3.905 -8.222 -12.488 613 HE1 HIS 81 HE1 HIS 81 -3.719 -10.125 -8.677 614 H HIS 82 H HIS 82 -4.679 -11.903 -13.897 615 HA HIS 82 HA HIS 82 -4.709 -13.557 -11.602 616 HB2 HIS 82 HB2 HIS 82 -6.535 -13.706 -14.029 617 HB3 HIS 82 HB3 HIS 82 -6.901 -14.260 -12.398 618 HD1 HIS 82 HD1 HIS 82 -7.874 -11.537 -14.467 619 HD2 HIS 82 HD2 HIS 82 -6.438 -11.893 -10.526 620 HE1 HIS 82 HE1 HIS 82 -8.590 -9.412 -13.251 621 H HIS 83 H HIS 83 -4.794 -15.767 -11.295 622 HA HIS 83 HA HIS 83 -4.174 -17.680 -13.464 623 HB2 HIS 83 HB2 HIS 83 -2.488 -17.315 -10.951 624 HB3 HIS 83 HB3 HIS 83 -2.442 -18.748 -11.967 625 HD1 HIS 83 HD1 HIS 83 -1.791 -18.094 -14.711 626 HD2 HIS 83 HD2 HIS 83 -0.653 -15.554 -11.560 627 HE1 HIS 83 HE1 HIS 83 0.134 -16.675 -15.602 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -19.722 13.369 6.793 2 H2 MET 1 H2 MET 1 -20.793 12.439 5.979 3 H3 MET 1 H3 MET 1 -21.296 13.357 7.240 4 HA MET 1 HA MET 1 -19.973 12.064 8.783 5 HB2 MET 1 HB2 MET 1 -22.351 11.451 8.359 6 HB3 MET 1 HB3 MET 1 -21.834 10.333 7.091 7 HG2 MET 1 HG2 MET 1 -20.567 9.022 8.765 8 HG3 MET 1 HG3 MET 1 -21.024 10.176 10.024 9 HE1 MET 1 HE1 MET 1 -22.981 6.927 11.007 10 HE2 MET 1 HE2 MET 1 -21.371 7.023 10.259 11 HE3 MET 1 HE3 MET 1 -21.828 8.170 11.540 12 H ALA 2 H ALA 2 -18.147 10.857 9.076 13 HA ALA 2 HA ALA 2 -17.138 8.977 7.023 14 HB1 ALA 2 HB1 ALA 2 -16.273 11.307 6.307 15 HB2 ALA 2 HB2 ALA 2 -15.532 11.450 7.933 16 HB3 ALA 2 HB3 ALA 2 -14.970 10.212 6.830 17 H THR 3 H THR 3 -15.339 7.925 7.476 18 HA THR 3 HA THR 3 -14.722 7.369 10.312 19 HB THR 3 HB THR 3 -13.213 5.714 9.242 20 HG1 THR 3 HG1 THR 3 -13.676 5.140 7.079 21 HG21 THR 3 HG21 THR 3 -16.212 5.624 8.597 22 HG22 THR 3 HG22 THR 3 -15.163 4.172 8.703 23 HG23 THR 3 HG23 THR 3 -15.453 5.164 10.151 24 HA PRO 4 HA PRO 4 -11.576 9.999 10.464 25 HB2 PRO 4 HB2 PRO 4 -9.726 8.017 11.722 26 HB3 PRO 4 HB3 PRO 4 -10.266 9.646 12.282 27 HG2 PRO 4 HG2 PRO 4 -11.379 7.325 13.303 28 HG3 PRO 4 HG3 PRO 4 -12.365 8.798 12.989 29 HD2 PRO 4 HD2 PRO 4 -12.228 6.328 11.319 30 HD3 PRO 4 HD3 PRO 4 -13.554 7.392 11.813 31 H TRP 5 H TRP 5 -10.901 10.681 8.582 32 HA TRP 5 HA TRP 5 -9.088 9.393 6.745 33 HB2 TRP 5 HB2 TRP 5 -9.172 11.809 5.770 34 HB3 TRP 5 HB3 TRP 5 -10.606 10.808 5.783 35 HD1 TRP 5 HD1 TRP 5 -12.714 11.770 6.713 36 HE1 TRP 5 HE1 TRP 5 -13.410 13.814 8.102 37 HE3 TRP 5 HE3 TRP 5 -8.063 13.598 7.886 38 HZ2 TRP 5 HZ2 TRP 5 -12.128 15.920 9.583 39 HZ3 TRP 5 HZ3 TRP 5 -7.838 15.603 9.332 40 HH2 TRP 5 HH2 TRP 5 -9.856 16.774 10.179 41 H SER 6 H SER 6 -8.320 10.880 9.700 42 HA SER 6 HA SER 6 -6.155 12.548 9.099 43 HB2 SER 6 HB2 SER 6 -5.440 12.114 11.452 44 HB3 SER 6 HB3 SER 6 -7.156 12.517 11.275 45 HG SER 6 HG SER 6 -6.799 10.706 12.671 46 H GLY 7 H GLY 7 -6.107 9.054 8.958 47 HA2 GLY 7 HA2 GLY 7 -3.147 8.907 8.806 48 HA3 GLY 7 HA3 GLY 7 -4.287 7.565 8.759 49 H TYR 8 H TYR 8 -5.477 9.754 6.582 50 HA TYR 8 HA TYR 8 -4.085 8.649 4.238 51 HB2 TYR 8 HB2 TYR 8 -7.077 8.751 4.790 52 HB3 TYR 8 HB3 TYR 8 -6.363 8.193 3.295 53 HD1 TYR 8 HD2 TYR 8 -4.833 6.121 3.343 54 HD2 TYR 8 HD1 TYR 8 -7.378 7.257 6.642 55 HE1 TYR 8 HE2 TYR 8 -4.662 3.817 4.270 56 HE2 TYR 8 HE1 TYR 8 -7.201 4.950 7.568 57 HH TYR 8 HH TYR 8 -5.275 2.389 5.955 58 H LEU 9 H LEU 9 -5.448 11.360 5.722 59 HA LEU 9 HA LEU 9 -6.747 12.860 3.945 60 HB2 LEU 9 HB2 LEU 9 -6.448 13.431 6.291 61 HB3 LEU 9 HB3 LEU 9 -4.716 13.646 6.077 62 HG LEU 9 HG LEU 9 -5.169 15.639 4.626 63 HD11 LEU 9 HD11 LEU 9 -8.019 15.438 5.661 64 HD12 LEU 9 HD12 LEU 9 -7.321 16.660 4.557 65 HD13 LEU 9 HD13 LEU 9 -7.524 14.987 4.021 66 HD21 LEU 9 HD21 LEU 9 -4.608 15.900 6.996 67 HD22 LEU 9 HD22 LEU 9 -5.772 17.133 6.485 68 HD23 LEU 9 HD23 LEU 9 -6.322 15.736 7.437 69 H ASP 10 H ASP 10 -3.204 13.088 4.244 70 HA ASP 10 HA ASP 10 -3.043 15.223 2.365 71 HB2 ASP 10 HB2 ASP 10 -1.547 14.753 4.363 72 HB3 ASP 10 HB3 ASP 10 -0.792 13.457 3.439 73 H ASP 11 H ASP 11 -3.973 12.482 1.377 74 HA ASP 11 HA ASP 11 -2.728 12.759 -1.304 75 HB2 ASP 11 HB2 ASP 11 -1.751 10.732 -0.232 76 HB3 ASP 11 HB3 ASP 11 -3.379 10.101 0.023 77 H VAL 12 H VAL 12 -5.499 11.718 0.607 78 HA VAL 12 HA VAL 12 -7.342 11.550 -1.568 79 HB VAL 12 HB VAL 12 -7.600 11.770 1.470 80 HG11 VAL 12 HG11 VAL 12 -9.772 11.078 -0.547 81 HG12 VAL 12 HG12 VAL 12 -9.882 10.814 1.211 82 HG13 VAL 12 HG13 VAL 12 -9.744 12.458 0.586 83 HG21 VAL 12 HG21 VAL 12 -7.946 9.344 1.376 84 HG22 VAL 12 HG22 VAL 12 -7.810 9.370 -0.402 85 HG23 VAL 12 HG23 VAL 12 -6.407 9.760 0.606 86 H SER 13 H SER 13 -6.855 13.985 0.974 87 HA SER 13 HA SER 13 -8.684 15.896 -0.216 88 HB2 SER 13 HB2 SER 13 -8.409 15.780 2.219 89 HB3 SER 13 HB3 SER 13 -6.638 15.999 2.062 90 HG SER 13 HG SER 13 -7.734 17.926 2.694 91 H ALA 14 H ALA 14 -5.139 15.491 0.017 92 HA ALA 14 HA ALA 14 -4.589 17.983 -1.062 93 HB1 ALA 14 HB1 ALA 14 -2.988 16.657 0.071 94 HB2 ALA 14 HB2 ALA 14 -2.946 15.479 -1.283 95 HB3 ALA 14 HB3 ALA 14 -2.374 17.163 -1.519 96 H LYS 15 H LYS 15 -5.381 14.990 -2.713 97 HA LYS 15 HA LYS 15 -5.066 15.659 -5.434 98 HB2 LYS 15 HB2 LYS 15 -5.269 13.443 -4.731 99 HB3 LYS 15 HB3 LYS 15 -6.750 13.739 -3.817 100 HG2 LYS 15 HG2 LYS 15 -8.080 13.864 -5.760 101 HG3 LYS 15 HG3 LYS 15 -6.663 13.816 -6.842 102 HD2 LYS 15 HD2 LYS 15 -7.550 11.592 -4.945 103 HD3 LYS 15 HD3 LYS 15 -7.906 11.654 -6.678 104 HE2 LYS 15 HE2 LYS 15 -5.477 11.613 -7.192 105 HE3 LYS 15 HE3 LYS 15 -5.107 11.542 -5.464 106 HZ1 LYS 15 HZ1 LYS 15 -5.080 9.336 -6.462 107 HZ2 LYS 15 HZ2 LYS 15 -6.269 9.417 -5.352 108 HZ3 LYS 15 HZ3 LYS 15 -6.632 9.472 -6.947 109 H PHE 16 H PHE 16 -7.355 16.896 -3.172 110 HA PHE 16 HA PHE 16 -9.014 18.048 -5.291 111 HB2 PHE 16 HB2 PHE 16 -10.875 17.869 -3.982 112 HB3 PHE 16 HB3 PHE 16 -9.992 16.351 -3.830 113 HD1 PHE 16 HD1 PHE 16 -9.270 19.208 -1.452 114 HD2 PHE 16 HD2 PHE 16 -11.250 15.450 -2.189 115 HE1 PHE 16 HE1 PHE 16 -9.984 19.123 0.888 116 HE2 PHE 16 HE2 PHE 16 -11.884 15.323 0.197 117 HZ PHE 16 HZ PHE 16 -11.245 17.171 1.754 118 H ASP 17 H ASP 17 -7.012 18.793 -2.684 119 HA ASP 17 HA ASP 17 -7.683 20.963 -1.498 120 HB2 ASP 17 HB2 ASP 17 -5.594 19.886 -1.093 121 HB3 ASP 17 HB3 ASP 17 -4.909 20.510 -2.598 122 H THR 18 H THR 18 -5.869 21.625 -4.518 123 HA THR 18 HA THR 18 -6.257 24.407 -4.125 124 HB THR 18 HB THR 18 -4.369 23.253 -5.329 125 HG1 THR 18 HG1 THR 18 -4.462 25.464 -5.338 126 HG21 THR 18 HG21 THR 18 -5.824 22.008 -6.948 127 HG22 THR 18 HG22 THR 18 -6.219 23.561 -7.719 128 HG23 THR 18 HG23 THR 18 -4.541 22.964 -7.728 129 H GLY 19 H GLY 19 -8.186 22.096 -5.892 130 HA2 GLY 19 HA2 GLY 19 -9.773 24.130 -7.351 131 HA3 GLY 19 HA3 GLY 19 -10.017 22.387 -7.372 132 H VAL 20 H VAL 20 -10.230 21.792 -4.634 133 HA VAL 20 HA VAL 20 -12.804 22.655 -3.864 134 HB VAL 20 HB VAL 20 -11.021 20.794 -2.855 135 HG11 VAL 20 HG11 VAL 20 -10.635 21.181 -0.528 136 HG12 VAL 20 HG12 VAL 20 -9.870 22.497 -1.424 137 HG13 VAL 20 HG13 VAL 20 -11.404 22.778 -0.592 138 HG21 VAL 20 HG21 VAL 20 -12.834 20.331 -1.203 139 HG22 VAL 20 HG22 VAL 20 -13.542 21.932 -1.580 140 HG23 VAL 20 HG23 VAL 20 -13.491 20.676 -2.801 141 H ASP 21 H ASP 21 -9.646 24.003 -3.068 142 HA ASP 21 HA ASP 21 -10.609 25.931 -1.330 143 HB2 ASP 21 HB2 ASP 21 -8.353 25.349 -1.279 144 HB3 ASP 21 HB3 ASP 21 -8.174 25.589 -3.000 145 H ASN 22 H ASN 22 -10.628 26.113 -4.892 146 HA ASN 22 HA ASN 22 -11.337 28.891 -4.892 147 HB2 ASN 22 HB2 ASN 22 -11.984 26.620 -6.863 148 HB3 ASN 22 HB3 ASN 22 -12.270 28.327 -7.187 149 HD21 ASN 22 HD22 ASN 22 -10.512 26.377 -8.633 150 HD22 ASN 22 HD21 ASN 22 -8.933 27.149 -8.629 151 H LEU 23 H LEU 23 -13.156 25.978 -4.240 152 HA LEU 23 HA LEU 23 -15.668 27.412 -4.376 153 HB2 LEU 23 HB2 LEU 23 -15.040 24.800 -4.972 154 HB3 LEU 23 HB3 LEU 23 -15.772 24.663 -3.386 155 HG LEU 23 HG LEU 23 -17.435 24.499 -5.110 156 HD11 LEU 23 HD11 LEU 23 -17.934 26.020 -3.040 157 HD12 LEU 23 HD12 LEU 23 -17.889 27.346 -4.198 158 HD13 LEU 23 HD13 LEU 23 -19.025 26.001 -4.407 159 HD21 LEU 23 HD21 LEU 23 -16.723 27.103 -6.350 160 HD22 LEU 23 HD22 LEU 23 -16.784 25.458 -7.053 161 HD23 LEU 23 HD23 LEU 23 -18.297 26.272 -6.539 162 H GLN 24 H GLN 24 -13.737 25.797 -1.895 163 HA GLN 24 HA GLN 24 -15.096 26.599 0.409 164 HB2 GLN 24 HB2 GLN 24 -13.495 25.054 0.806 165 HB3 GLN 24 HB3 GLN 24 -12.305 25.854 -0.248 166 HG2 GLN 24 HG2 GLN 24 -11.619 27.340 1.351 167 HG3 GLN 24 HG3 GLN 24 -13.089 27.092 2.346 168 HE21 GLN 24 HE22 GLN 24 -12.392 26.191 4.280 169 HE22 GLN 24 HE21 GLN 24 -11.280 24.831 4.372 170 H THR 25 H THR 25 -12.493 28.444 -1.363 171 HA THR 25 HA THR 25 -12.480 30.649 0.358 172 HB THR 25 HB THR 25 -10.948 30.225 -1.556 173 HG1 THR 25 HG1 THR 25 -10.566 32.430 -1.814 174 HG21 THR 25 HG21 THR 25 -11.289 31.107 -3.715 175 HG22 THR 25 HG22 THR 25 -12.595 29.998 -3.351 176 HG23 THR 25 HG23 THR 25 -12.895 31.752 -3.293 177 H GLN 26 H GLN 26 -14.526 30.036 -2.396 178 HA GLN 26 HA GLN 26 -16.258 32.254 -2.161 179 HB2 GLN 26 HB2 GLN 26 -16.072 29.739 -3.696 180 HB3 GLN 26 HB3 GLN 26 -17.718 30.030 -3.233 181 HG2 GLN 26 HG2 GLN 26 -17.716 32.231 -4.268 182 HG3 GLN 26 HG3 GLN 26 -15.971 32.119 -4.595 183 HE21 GLN 26 HE22 GLN 26 -15.395 29.915 -5.920 184 HE22 GLN 26 HE21 GLN 26 -16.471 29.695 -7.297 185 H VAL 27 H VAL 27 -16.919 28.938 -0.824 186 HA VAL 27 HA VAL 27 -19.299 29.760 0.399 187 HB VAL 27 HB VAL 27 -19.459 27.852 1.547 188 HG11 VAL 27 HG11 VAL 27 -18.809 27.456 -1.008 189 HG12 VAL 27 HG12 VAL 27 -17.388 26.676 -0.297 190 HG13 VAL 27 HG13 VAL 27 -18.993 26.086 0.121 191 HG21 VAL 27 HG21 VAL 27 -17.732 27.799 3.117 192 HG22 VAL 27 HG22 VAL 27 -17.748 26.261 2.265 193 HG23 VAL 27 HG23 VAL 27 -16.505 27.466 1.871 194 H THR 28 H THR 28 -15.961 29.845 1.512 195 HA THR 28 HA THR 28 -16.451 30.576 4.193 196 HB THR 28 HB THR 28 -14.018 31.275 2.572 197 HG1 THR 28 HG1 THR 28 -14.308 29.050 2.519 198 HG21 THR 28 HG21 THR 28 -12.955 30.915 4.864 199 HG22 THR 28 HG22 THR 28 -13.928 32.402 4.585 200 HG23 THR 28 HG23 THR 28 -14.640 31.029 5.495 201 H GLU 29 H GLU 29 -16.097 32.485 1.187 202 HA GLU 29 HA GLU 29 -16.074 34.899 2.675 203 HB2 GLU 29 HB2 GLU 29 -16.454 34.348 -0.233 204 HB3 GLU 29 HB3 GLU 29 -16.552 35.944 0.478 205 HG2 GLU 29 HG2 GLU 29 -14.369 35.733 1.534 206 HG3 GLU 29 HG3 GLU 29 -14.102 34.196 0.781 207 H ALA 30 H ALA 30 -18.683 32.866 1.262 208 HA ALA 30 HA ALA 30 -20.870 34.607 1.871 209 HB1 ALA 30 HB1 ALA 30 -22.194 32.571 1.862 210 HB2 ALA 30 HB2 ALA 30 -21.064 32.542 0.477 211 HB3 ALA 30 HB3 ALA 30 -20.752 31.556 1.919 212 H LEU 31 H LEU 31 -19.102 32.182 3.723 213 HA LEU 31 HA LEU 31 -20.340 32.580 6.226 214 HB2 LEU 31 HB2 LEU 31 -18.928 30.625 5.463 215 HB3 LEU 31 HB3 LEU 31 -17.546 31.696 5.570 216 HG LEU 31 HG LEU 31 -18.240 32.061 8.061 217 HD11 LEU 31 HD11 LEU 31 -20.484 30.869 7.658 218 HD12 LEU 31 HD12 LEU 31 -19.530 29.379 7.553 219 HD13 LEU 31 HD13 LEU 31 -19.510 30.351 9.057 220 HD21 LEU 31 HD21 LEU 31 -16.237 31.044 7.264 221 HD22 LEU 31 HD22 LEU 31 -16.911 30.149 8.642 222 HD23 LEU 31 HD23 LEU 31 -17.081 29.510 6.940 223 H ASP 32 H ASP 32 -17.532 34.313 4.699 224 HA ASP 32 HA ASP 32 -16.810 35.830 6.925 225 HB2 ASP 32 HB2 ASP 32 -15.453 35.896 4.963 226 HB3 ASP 32 HB3 ASP 32 -16.745 36.480 3.944 227 H LYS 33 H LYS 33 -19.586 36.164 4.744 228 HA LYS 33 HA LYS 33 -20.699 38.441 6.045 229 HB2 LYS 33 HB2 LYS 33 -22.393 36.571 4.559 230 HB3 LYS 33 HB3 LYS 33 -22.412 38.342 4.735 231 HG2 LYS 33 HG2 LYS 33 -20.942 36.554 2.860 232 HG3 LYS 33 HG3 LYS 33 -21.992 37.893 2.490 233 HD2 LYS 33 HD2 LYS 33 -20.200 39.425 3.456 234 HD3 LYS 33 HD3 LYS 33 -19.105 38.006 3.456 235 HE2 LYS 33 HE2 LYS 33 -19.447 37.620 1.108 236 HE3 LYS 33 HE3 LYS 33 -20.528 39.024 0.998 237 HZ1 LYS 33 HZ1 LYS 33 -17.669 39.158 1.819 238 HZ2 LYS 33 HZ2 LYS 33 -18.226 39.573 0.336 239 HZ3 LYS 33 HZ3 LYS 33 -18.662 40.441 1.647 240 H LEU 34 H LEU 34 -21.288 34.921 6.283 241 HA LEU 34 HA LEU 34 -23.381 35.180 8.136 242 HB2 LEU 34 HB2 LEU 34 -22.504 33.303 6.549 243 HB3 LEU 34 HB3 LEU 34 -21.906 32.597 8.071 244 HG LEU 34 HG LEU 34 -24.768 33.489 7.499 245 HD11 LEU 34 HD11 LEU 34 -24.054 31.842 6.003 246 HD12 LEU 34 HD12 LEU 34 -23.557 30.750 7.324 247 HD13 LEU 34 HD13 LEU 34 -25.282 31.178 7.075 248 HD21 LEU 34 HD21 LEU 34 -24.246 32.973 9.931 249 HD22 LEU 34 HD22 LEU 34 -25.623 32.134 9.149 250 HD23 LEU 34 HD23 LEU 34 -24.056 31.298 9.467 251 H ALA 35 H ALA 35 -19.948 35.134 8.612 252 HA ALA 35 HA ALA 35 -20.002 34.814 11.485 253 HB1 ALA 35 HB1 ALA 35 -17.831 35.705 9.544 254 HB2 ALA 35 HB2 ALA 35 -17.597 35.253 11.252 255 HB3 ALA 35 HB3 ALA 35 -18.150 34.036 10.071 256 H ALA 36 H ALA 36 -20.434 37.425 9.163 257 HA ALA 36 HA ALA 36 -20.080 39.656 10.994 258 HB1 ALA 36 HB1 ALA 36 -21.116 39.598 8.097 259 HB2 ALA 36 HB2 ALA 36 -20.669 41.023 9.044 260 HB3 ALA 36 HB3 ALA 36 -19.437 39.830 8.614 261 H LYS 37 H LYS 37 -22.933 38.417 9.226 262 HA LYS 37 HA LYS 37 -24.758 39.346 11.428 263 HB2 LYS 37 HB2 LYS 37 -24.676 40.893 9.297 264 HB3 LYS 37 HB3 LYS 37 -25.461 39.532 8.545 265 HG2 LYS 37 HG2 LYS 37 -26.388 41.405 10.683 266 HG3 LYS 37 HG3 LYS 37 -27.216 40.933 9.169 267 HD2 LYS 37 HD2 LYS 37 -27.841 38.780 10.263 268 HD3 LYS 37 HD3 LYS 37 -27.082 39.366 11.773 269 HE2 LYS 37 HE2 LYS 37 -28.435 41.436 11.549 270 HE3 LYS 37 HE3 LYS 37 -29.229 40.761 10.137 271 HZ1 LYS 37 HZ1 LYS 37 -30.113 38.966 11.576 272 HZ2 LYS 37 HZ2 LYS 37 -29.375 39.606 12.889 273 HZ3 LYS 37 HZ3 LYS 37 -30.581 40.418 12.154 274 HA PRO 38 HA PRO 38 -24.570 35.079 10.022 275 HB2 PRO 38 HB2 PRO 38 -25.754 34.106 12.577 276 HB3 PRO 38 HB3 PRO 38 -24.194 33.780 11.766 277 HG2 PRO 38 HG2 PRO 38 -24.923 35.887 13.769 278 HG3 PRO 38 HG3 PRO 38 -23.273 35.272 13.378 279 HD2 PRO 38 HD2 PRO 38 -24.248 37.726 12.729 280 HD3 PRO 38 HD3 PRO 38 -23.042 36.907 11.696 281 H SER 39 H SER 39 -27.729 35.135 11.771 282 HA SER 39 HA SER 39 -28.562 33.411 9.641 283 HB2 SER 39 HB2 SER 39 -30.528 33.009 10.872 284 HB3 SER 39 HB3 SER 39 -29.080 32.790 11.831 285 HG SER 39 HG SER 39 -30.714 33.980 12.990 286 H ASP 40 H ASP 40 -28.138 36.483 9.280 287 HA ASP 40 HA ASP 40 -30.507 37.601 8.147 288 HB2 ASP 40 HB2 ASP 40 -28.639 39.040 8.307 289 HB3 ASP 40 HB3 ASP 40 -27.626 37.959 7.402 290 HA PRO 41 HA PRO 41 -30.676 33.950 5.668 291 HB2 PRO 41 HB2 PRO 41 -33.070 34.314 4.329 292 HB3 PRO 41 HB3 PRO 41 -32.928 33.841 6.060 293 HG2 PRO 41 HG2 PRO 41 -33.341 36.611 4.820 294 HG3 PRO 41 HG3 PRO 41 -34.265 35.880 6.186 295 HD2 PRO 41 HD2 PRO 41 -32.220 37.607 6.597 296 HD3 PRO 41 HD3 PRO 41 -32.506 36.215 7.686 297 H ALA 42 H ALA 42 -30.835 37.132 4.132 298 HA ALA 42 HA ALA 42 -30.559 36.210 1.472 299 HB1 ALA 42 HB1 ALA 42 -30.019 38.537 1.018 300 HB2 ALA 42 HB2 ALA 42 -31.353 38.407 2.200 301 HB3 ALA 42 HB3 ALA 42 -29.717 38.830 2.750 302 H LEU 43 H LEU 43 -28.040 37.097 3.947 303 HA LEU 43 HA LEU 43 -25.892 36.103 2.236 304 HB2 LEU 43 HB2 LEU 43 -24.445 36.810 3.894 305 HB3 LEU 43 HB3 LEU 43 -25.693 38.038 3.774 306 HG LEU 43 HG LEU 43 -26.696 36.752 5.866 307 HD11 LEU 43 HD11 LEU 43 -24.862 34.901 5.715 308 HD12 LEU 43 HD12 LEU 43 -23.783 36.205 6.110 309 HD13 LEU 43 HD13 LEU 43 -25.096 35.765 7.265 310 HD21 LEU 43 HD21 LEU 43 -24.230 38.495 5.886 311 HD22 LEU 43 HD22 LEU 43 -25.913 38.909 6.392 312 HD23 LEU 43 HD23 LEU 43 -24.881 37.851 7.393 313 H LEU 44 H LEU 44 -27.579 34.764 5.144 314 HA LEU 44 HA LEU 44 -25.913 32.394 5.320 315 HB2 LEU 44 HB2 LEU 44 -26.916 32.622 7.260 316 HB3 LEU 44 HB3 LEU 44 -28.229 33.490 6.712 317 HG LEU 44 HG LEU 44 -29.064 31.673 7.799 318 HD11 LEU 44 HD11 LEU 44 -30.497 30.508 6.378 319 HD12 LEU 44 HD12 LEU 44 -30.097 31.913 5.371 320 HD13 LEU 44 HD13 LEU 44 -29.301 30.339 5.095 321 HD21 LEU 44 HD21 LEU 44 -27.179 30.328 7.963 322 HD22 LEU 44 HD22 LEU 44 -28.511 29.349 7.337 323 HD23 LEU 44 HD23 LEU 44 -27.243 29.886 6.190 324 H ALA 45 H ALA 45 -28.892 33.056 3.339 325 HA ALA 45 HA ALA 45 -28.805 30.342 2.630 326 HB1 ALA 45 HB1 ALA 45 -30.296 32.559 1.154 327 HB2 ALA 45 HB2 ALA 45 -30.578 30.817 0.977 328 HB3 ALA 45 HB3 ALA 45 -30.932 31.605 2.523 329 H ALA 46 H ALA 46 -27.242 33.208 1.262 330 HA ALA 46 HA ALA 46 -26.289 31.964 -1.115 331 HB1 ALA 46 HB1 ALA 46 -25.040 34.198 0.541 332 HB2 ALA 46 HB2 ALA 46 -24.636 33.713 -1.136 333 HB3 ALA 46 HB3 ALA 46 -26.237 34.391 -0.767 334 H TYR 47 H TYR 47 -25.084 32.045 2.266 335 HA TYR 47 HA TYR 47 -22.701 30.545 1.901 336 HB2 TYR 47 HB2 TYR 47 -23.417 31.753 4.009 337 HB3 TYR 47 HB3 TYR 47 -24.641 30.634 4.180 338 HD1 TYR 47 HD1 TYR 47 -20.936 30.277 3.698 339 HD2 TYR 47 HD2 TYR 47 -24.519 28.841 5.603 340 HE1 TYR 47 HE1 TYR 47 -19.624 28.480 4.812 341 HE2 TYR 47 HE2 TYR 47 -23.199 27.097 6.776 342 HH TYR 47 HH TYR 47 -21.130 26.153 7.081 343 H GLN 48 H GLN 48 -25.927 29.468 2.892 344 HA GLN 48 HA GLN 48 -25.138 26.828 2.865 345 HB2 GLN 48 HB2 GLN 48 -27.272 26.195 3.507 346 HB3 GLN 48 HB3 GLN 48 -26.959 27.800 4.129 347 HG2 GLN 48 HG2 GLN 48 -29.025 28.117 3.415 348 HG3 GLN 48 HG3 GLN 48 -28.135 28.556 1.960 349 HE21 GLN 48 HE22 GLN 48 -29.072 27.756 0.073 350 HE22 GLN 48 HE21 GLN 48 -29.929 26.224 -0.004 351 H SER 49 H SER 49 -26.275 28.812 0.299 352 HA SER 49 HA SER 49 -26.626 26.852 -1.729 353 HB2 SER 49 HB2 SER 49 -25.736 29.823 -1.953 354 HB3 SER 49 HB3 SER 49 -26.048 28.794 -3.337 355 HG SER 49 HG SER 49 -27.856 29.627 -1.320 356 H LYS 50 H LYS 50 -23.780 28.865 -0.881 357 HA LYS 50 HA LYS 50 -22.062 27.645 -2.786 358 HB2 LYS 50 HB2 LYS 50 -21.516 29.371 -0.277 359 HB3 LYS 50 HB3 LYS 50 -20.290 28.876 -1.430 360 HG2 LYS 50 HG2 LYS 50 -22.634 30.037 -2.821 361 HG3 LYS 50 HG3 LYS 50 -21.896 31.127 -1.661 362 HD2 LYS 50 HD2 LYS 50 -20.929 31.477 -3.767 363 HD3 LYS 50 HD3 LYS 50 -19.730 30.799 -2.624 364 HE2 LYS 50 HE2 LYS 50 -19.212 29.236 -4.137 365 HE3 LYS 50 HE3 LYS 50 -20.784 28.552 -3.846 366 HZ1 LYS 50 HZ1 LYS 50 -20.037 30.524 -5.962 367 HZ2 LYS 50 HZ2 LYS 50 -20.531 29.002 -6.220 368 HZ3 LYS 50 HZ3 LYS 50 -21.604 30.114 -5.674 369 H LEU 51 H LEU 51 -22.640 26.887 0.565 370 HA LEU 51 HA LEU 51 -20.868 24.750 1.108 371 HB2 LEU 51 HB2 LEU 51 -22.073 25.820 2.789 372 HB3 LEU 51 HB3 LEU 51 -23.550 25.855 1.881 373 HG LEU 51 HG LEU 51 -22.551 23.524 3.498 374 HD11 LEU 51 HD11 LEU 51 -24.186 24.216 5.047 375 HD12 LEU 51 HD12 LEU 51 -23.639 25.792 4.430 376 HD13 LEU 51 HD13 LEU 51 -25.146 25.082 3.843 377 HD21 LEU 51 HD21 LEU 51 -24.934 22.660 3.112 378 HD22 LEU 51 HD22 LEU 51 -25.059 23.805 1.765 379 HD23 LEU 51 HD23 LEU 51 -23.863 22.487 1.729 380 H SER 52 H SER 52 -23.948 24.797 -0.715 381 HA SER 52 HA SER 52 -23.786 21.989 -1.335 382 HB2 SER 52 HB2 SER 52 -25.456 24.105 -2.717 383 HB3 SER 52 HB3 SER 52 -25.612 22.348 -2.803 384 HG SER 52 HG SER 52 -26.074 24.009 -0.531 385 H GLU 53 H GLU 53 -23.022 25.017 -3.136 386 HA GLU 53 HA GLU 53 -22.296 23.854 -5.565 387 HB2 GLU 53 HB2 GLU 53 -21.098 26.244 -4.243 388 HB3 GLU 53 HB3 GLU 53 -20.768 25.659 -5.888 389 HG2 GLU 53 HG2 GLU 53 -23.216 27.044 -4.914 390 HG3 GLU 53 HG3 GLU 53 -21.899 27.534 -6.015 391 H TYR 54 H TYR 54 -20.422 24.233 -2.591 392 HA TYR 54 HA TYR 54 -17.949 23.298 -3.652 393 HB2 TYR 54 HB2 TYR 54 -17.437 24.463 -1.837 394 HB3 TYR 54 HB3 TYR 54 -18.982 24.241 -1.115 395 HD1 TYR 54 HD2 TYR 54 -19.409 22.114 0.201 396 HD2 TYR 54 HD1 TYR 54 -15.518 23.365 -1.161 397 HE1 TYR 54 HE2 TYR 54 -18.397 20.772 1.956 398 HE2 TYR 54 HE1 TYR 54 -14.458 22.027 0.582 399 HH TYR 54 HH TYR 54 -14.797 20.658 2.449 400 H ASN 55 H ASN 55 -20.722 21.600 -2.253 401 HA ASN 55 HA ASN 55 -19.400 19.084 -2.357 402 HB2 ASN 55 HB2 ASN 55 -21.804 19.960 -1.249 403 HB3 ASN 55 HB3 ASN 55 -22.304 18.997 -2.648 404 HD21 ASN 55 HD22 ASN 55 -23.243 17.380 -1.288 405 HD22 ASN 55 HD21 ASN 55 -22.204 16.268 -0.411 406 H LEU 56 H LEU 56 -21.237 21.073 -4.693 407 HA LEU 56 HA LEU 56 -21.333 19.174 -6.850 408 HB2 LEU 56 HB2 LEU 56 -21.667 22.123 -6.507 409 HB3 LEU 56 HB3 LEU 56 -21.315 21.590 -8.107 410 HG LEU 56 HG LEU 56 -23.331 20.378 -8.300 411 HD11 LEU 56 HD11 LEU 56 -23.978 20.969 -5.388 412 HD12 LEU 56 HD12 LEU 56 -25.034 20.176 -6.566 413 HD13 LEU 56 HD13 LEU 56 -23.553 19.371 -6.038 414 HD21 LEU 56 HD21 LEU 56 -23.384 22.837 -8.546 415 HD22 LEU 56 HD22 LEU 56 -24.941 22.222 -7.947 416 HD23 LEU 56 HD23 LEU 56 -23.791 23.022 -6.841 417 H TYR 57 H TYR 57 -18.889 21.658 -5.903 418 HA TYR 57 HA TYR 57 -17.037 21.163 -7.947 419 HB2 TYR 57 HB2 TYR 57 -16.387 22.917 -6.689 420 HB3 TYR 57 HB3 TYR 57 -16.708 22.150 -5.160 421 HD1 TYR 57 HD1 TYR 57 -14.264 22.470 -7.927 422 HD2 TYR 57 HD2 TYR 57 -15.233 20.353 -4.305 423 HE1 TYR 57 HE1 TYR 57 -12.084 21.276 -8.042 424 HE2 TYR 57 HE2 TYR 57 -13.144 19.044 -4.496 425 HH TYR 57 HH TYR 57 -10.722 19.673 -7.084 426 H ARG 58 H ARG 58 -17.643 19.438 -4.941 427 HA ARG 58 HA ARG 58 -15.855 17.272 -5.163 428 HB2 ARG 58 HB2 ARG 58 -17.866 18.279 -3.430 429 HB3 ARG 58 HB3 ARG 58 -18.392 16.661 -3.747 430 HG2 ARG 58 HG2 ARG 58 -17.142 16.611 -1.770 431 HG3 ARG 58 HG3 ARG 58 -15.986 15.981 -2.969 432 HD2 ARG 58 HD2 ARG 58 -14.972 18.224 -3.165 433 HD3 ARG 58 HD3 ARG 58 -16.176 18.919 -2.099 434 HE ARG 58 HE ARG 58 -13.799 17.431 -1.312 435 HH11 ARG 58 HH21 ARG 58 -17.011 18.319 -0.195 436 HH12 ARG 58 HH22 ARG 58 -16.499 18.382 1.468 437 HH21 ARG 58 HH11 ARG 58 -13.265 17.461 0.836 438 HH22 ARG 58 HH12 ARG 58 -14.483 17.784 2.042 439 H ASN 59 H ASN 59 -19.202 17.573 -6.258 440 HA ASN 59 HA ASN 59 -19.545 14.950 -7.219 441 HB2 ASN 59 HB2 ASN 59 -21.374 16.715 -6.778 442 HB3 ASN 59 HB3 ASN 59 -20.901 17.453 -8.299 443 HD21 ASN 59 HD22 ASN 59 -22.554 16.994 -9.725 444 HD22 ASN 59 HD21 ASN 59 -23.191 15.375 -9.967 445 H ALA 60 H ALA 60 -18.586 17.910 -8.908 446 HA ALA 60 HA ALA 60 -17.998 16.805 -11.458 447 HB1 ALA 60 HB1 ALA 60 -18.392 19.218 -10.937 448 HB2 ALA 60 HB2 ALA 60 -16.896 19.261 -9.999 449 HB3 ALA 60 HB3 ALA 60 -16.824 18.971 -11.755 450 H GLN 61 H GLN 61 -15.961 17.285 -8.553 451 HA GLN 61 HA GLN 61 -13.776 15.834 -9.643 452 HB2 GLN 61 HB2 GLN 61 -13.731 17.680 -7.973 453 HB3 GLN 61 HB3 GLN 61 -14.097 16.417 -6.769 454 HG2 GLN 61 HG2 GLN 61 -11.708 16.495 -6.783 455 HG3 GLN 61 HG3 GLN 61 -12.069 15.137 -7.871 456 HE21 GLN 61 HE22 GLN 61 -12.181 18.669 -8.701 457 HE22 GLN 61 HE21 GLN 61 -10.910 18.509 -9.911 458 H SER 62 H SER 62 -16.263 14.545 -9.590 459 HA SER 62 HA SER 62 -15.258 11.870 -9.052 460 HB2 SER 62 HB2 SER 62 -16.858 12.623 -7.200 461 HB3 SER 62 HB3 SER 62 -18.126 12.599 -8.441 462 HG SER 62 HG SER 62 -17.937 10.598 -7.231 463 H ASN 63 H ASN 63 -15.943 13.943 -11.275 464 HA ASN 63 HA ASN 63 -17.040 12.049 -13.207 465 HB2 ASN 63 HB2 ASN 63 -18.292 14.272 -12.383 466 HB3 ASN 63 HB3 ASN 63 -17.196 15.090 -13.447 467 HD21 ASN 63 HD22 ASN 63 -20.040 13.066 -13.323 468 HD22 ASN 63 HD21 ASN 63 -20.314 13.051 -15.058 469 H THR 64 H THR 64 -14.953 14.878 -12.875 470 HA THR 64 HA THR 64 -13.287 14.592 -15.069 471 HB THR 64 HB THR 64 -13.400 16.423 -13.516 472 HG1 THR 64 HG1 THR 64 -11.235 16.941 -13.501 473 HG21 THR 64 HG21 THR 64 -13.471 14.925 -11.466 474 HG22 THR 64 HG22 THR 64 -11.689 14.945 -11.540 475 HG23 THR 64 HG23 THR 64 -12.600 16.470 -11.364 476 H VAL 65 H VAL 65 -13.121 13.043 -12.023 477 HA VAL 65 HA VAL 65 -10.871 11.457 -12.012 478 HB VAL 65 HB VAL 65 -13.639 10.587 -11.073 479 HG11 VAL 65 HG11 VAL 65 -12.363 9.710 -9.144 480 HG12 VAL 65 HG12 VAL 65 -11.650 9.060 -10.636 481 HG13 VAL 65 HG13 VAL 65 -10.870 10.424 -9.790 482 HG21 VAL 65 HG21 VAL 65 -13.151 11.900 -9.005 483 HG22 VAL 65 HG22 VAL 65 -11.957 12.810 -9.959 484 HG23 VAL 65 HG23 VAL 65 -13.679 12.773 -10.452 485 H LYS 66 H LYS 66 -13.929 10.899 -13.627 486 HA LYS 66 HA LYS 66 -13.198 8.372 -14.877 487 HB2 LYS 66 HB2 LYS 66 -15.702 10.019 -14.446 488 HB3 LYS 66 HB3 LYS 66 -15.685 8.768 -15.695 489 HG2 LYS 66 HG2 LYS 66 -16.663 7.761 -13.873 490 HG3 LYS 66 HG3 LYS 66 -15.024 7.109 -13.853 491 HD2 LYS 66 HD2 LYS 66 -14.432 8.393 -11.930 492 HD3 LYS 66 HD3 LYS 66 -15.732 9.562 -12.219 493 HE2 LYS 66 HE2 LYS 66 -17.381 7.651 -11.784 494 HE3 LYS 66 HE3 LYS 66 -16.008 6.722 -11.170 495 HZ1 LYS 66 HZ1 LYS 66 -16.924 9.362 -10.121 496 HZ2 LYS 66 HZ2 LYS 66 -17.198 7.925 -9.400 497 HZ3 LYS 66 HZ3 LYS 66 -15.675 8.492 -9.506 498 H VAL 67 H VAL 67 -12.436 11.455 -15.582 499 HA VAL 67 HA VAL 67 -12.516 11.174 -18.492 500 HB VAL 67 HB VAL 67 -12.534 13.496 -16.593 501 HG11 VAL 67 HG11 VAL 67 -11.815 13.672 -19.491 502 HG12 VAL 67 HG12 VAL 67 -12.359 15.046 -18.422 503 HG13 VAL 67 HG13 VAL 67 -10.868 14.179 -18.058 504 HG21 VAL 67 HG21 VAL 67 -14.534 14.070 -17.758 505 HG22 VAL 67 HG22 VAL 67 -14.247 12.733 -18.940 506 HG23 VAL 67 HG23 VAL 67 -14.592 12.371 -17.238 507 H PHE 68 H PHE 68 -10.373 11.924 -15.737 508 HA PHE 68 HA PHE 68 -7.963 11.909 -17.243 509 HB2 PHE 68 HB2 PHE 68 -8.671 11.123 -14.396 510 HB3 PHE 68 HB3 PHE 68 -7.002 11.187 -15.000 511 HD1 PHE 68 HD2 PHE 68 -6.561 13.585 -16.370 512 HD2 PHE 68 HD1 PHE 68 -9.203 12.942 -13.023 513 HE1 PHE 68 HE2 PHE 68 -6.420 15.993 -15.794 514 HE2 PHE 68 HE1 PHE 68 -9.078 15.353 -12.463 515 HZ PHE 68 HZ PHE 68 -7.678 16.883 -13.840 516 H LYS 69 H LYS 69 -10.196 9.392 -16.247 517 HA LYS 69 HA LYS 69 -8.767 7.047 -16.904 518 HB2 LYS 69 HB2 LYS 69 -10.984 6.938 -15.839 519 HB3 LYS 69 HB3 LYS 69 -11.663 8.030 -17.006 520 HG2 LYS 69 HG2 LYS 69 -10.738 5.420 -18.125 521 HG3 LYS 69 HG3 LYS 69 -12.137 5.380 -17.060 522 HD2 LYS 69 HD2 LYS 69 -13.473 6.717 -18.439 523 HD3 LYS 69 HD3 LYS 69 -12.120 7.452 -19.272 524 HE2 LYS 69 HE2 LYS 69 -11.568 5.223 -20.300 525 HE3 LYS 69 HE3 LYS 69 -13.044 4.570 -19.574 526 HZ1 LYS 69 HZ1 LYS 69 -12.919 6.801 -21.563 527 HZ2 LYS 69 HZ2 LYS 69 -13.453 5.286 -21.850 528 HZ3 LYS 69 HZ3 LYS 69 -14.297 6.263 -20.853 529 H ASP 70 H ASP 70 -10.370 9.447 -18.932 530 HA ASP 70 HA ASP 70 -9.900 8.075 -21.399 531 HB2 ASP 70 HB2 ASP 70 -11.804 9.820 -20.583 532 HB3 ASP 70 HB3 ASP 70 -10.753 10.894 -21.507 533 H ILE 71 H ILE 71 -8.341 10.669 -19.612 534 HA ILE 71 HA ILE 71 -6.432 11.144 -21.665 535 HB ILE 71 HB ILE 71 -7.068 12.460 -19.365 536 HG12 ILE 71 HG12 ILE 71 -5.870 13.261 -21.451 537 HG13 ILE 71 HG13 ILE 71 -5.421 14.048 -19.941 538 HG21 ILE 71 HG21 ILE 71 -5.917 11.209 -17.668 539 HG22 ILE 71 HG22 ILE 71 -4.437 11.120 -18.605 540 HG23 ILE 71 HG23 ILE 71 -5.001 12.662 -17.945 541 HD11 ILE 71 HD11 ILE 71 -3.387 12.803 -19.760 542 HD12 ILE 71 HD12 ILE 71 -3.851 11.709 -21.061 543 HD13 ILE 71 HD13 ILE 71 -3.466 13.414 -21.432 544 H ASP 72 H ASP 72 -6.376 9.012 -18.835 545 HA ASP 72 HA ASP 72 -3.963 7.707 -19.373 546 HB2 ASP 72 HB2 ASP 72 -5.131 7.571 -17.291 547 HB3 ASP 72 HB3 ASP 72 -6.514 6.863 -18.093 548 H ALA 73 H ALA 73 -7.186 7.035 -20.782 549 HA ALA 73 HA ALA 73 -6.391 4.815 -22.339 550 HB1 ALA 73 HB1 ALA 73 -8.460 6.951 -23.041 551 HB2 ALA 73 HB2 ALA 73 -8.352 5.320 -23.721 552 HB3 ALA 73 HB3 ALA 73 -8.747 5.541 -22.005 553 H ALA 74 H ALA 74 -5.605 8.238 -22.773 554 HA ALA 74 HA ALA 74 -4.452 7.890 -25.389 555 HB1 ALA 74 HB1 ALA 74 -5.486 10.060 -24.451 556 HB2 ALA 74 HB2 ALA 74 -3.989 10.238 -23.527 557 HB3 ALA 74 HB3 ALA 74 -3.920 10.192 -25.289 558 H ILE 75 H ILE 75 -3.263 7.975 -22.019 559 HA ILE 75 HA ILE 75 -0.493 7.618 -22.526 560 HB ILE 75 HB ILE 75 -2.245 6.705 -20.217 561 HG12 ILE 75 HG12 ILE 75 -1.063 8.231 -18.823 562 HG13 ILE 75 HG13 ILE 75 0.104 8.577 -20.062 563 HG21 ILE 75 HG21 ILE 75 0.731 6.219 -20.486 564 HG22 ILE 75 HG22 ILE 75 -0.183 6.083 -18.969 565 HG23 ILE 75 HG23 ILE 75 -0.547 4.994 -20.294 566 HD11 ILE 75 HD11 ILE 75 -2.734 9.543 -19.911 567 HD12 ILE 75 HD12 ILE 75 -1.256 10.486 -19.791 568 HD13 ILE 75 HD13 ILE 75 -1.699 9.791 -21.354 569 H LEU 76 H LEU 76 -3.141 5.247 -22.319 570 HA LEU 76 HA LEU 76 -1.767 2.847 -22.864 571 HB2 LEU 76 HB2 LEU 76 -4.541 3.896 -22.961 572 HB3 LEU 76 HB3 LEU 76 -4.267 2.573 -24.062 573 HG LEU 76 HG LEU 76 -3.570 1.126 -22.281 574 HD11 LEU 76 HD11 LEU 76 -2.485 2.728 -20.714 575 HD12 LEU 76 HD12 LEU 76 -4.084 3.385 -20.314 576 HD13 LEU 76 HD13 LEU 76 -3.682 1.709 -19.909 577 HD21 LEU 76 HD21 LEU 76 -6.122 2.584 -21.520 578 HD22 LEU 76 HD22 LEU 76 -5.973 1.332 -22.775 579 HD23 LEU 76 HD23 LEU 76 -5.684 0.921 -21.076 580 H GLU 77 H GLU 77 -2.817 5.319 -25.226 581 HA GLU 77 HA GLU 77 -1.915 3.804 -27.510 582 HB2 GLU 77 HB2 GLU 77 -2.733 6.679 -27.138 583 HB3 GLU 77 HB3 GLU 77 -2.130 6.044 -28.666 584 HG2 GLU 77 HG2 GLU 77 -4.532 4.903 -27.170 585 HG3 GLU 77 HG3 GLU 77 -4.607 6.088 -28.458 586 H HIS 78 H HIS 78 -0.573 6.418 -25.474 587 HA HIS 78 HA HIS 78 1.822 6.919 -26.906 588 HB2 HIS 78 HB2 HIS 78 0.647 8.221 -24.965 589 HB3 HIS 78 HB3 HIS 78 1.521 7.147 -23.891 590 HD1 HIS 78 HD1 HIS 78 4.249 7.359 -25.934 591 HD2 HIS 78 HD2 HIS 78 2.017 10.318 -23.945 592 HE1 HIS 78 HE1 HIS 78 5.799 9.376 -25.682 593 H HIS 79 H HIS 79 1.067 4.449 -24.527 594 HA HIS 79 HA HIS 79 3.828 3.312 -24.641 595 HB2 HIS 79 HB2 HIS 79 1.909 3.548 -22.291 596 HB3 HIS 79 HB3 HIS 79 3.447 2.697 -22.252 597 HD1 HIS 79 HD1 HIS 79 4.772 5.342 -24.040 598 HD2 HIS 79 HD2 HIS 79 2.947 5.093 -20.259 599 HE1 HIS 79 HE1 HIS 79 5.638 7.334 -22.699 600 H HIS 80 H HIS 80 1.847 2.549 -26.445 601 HA HIS 80 HA HIS 80 0.632 0.034 -25.738 602 HB2 HIS 80 HB2 HIS 80 0.002 1.795 -27.548 603 HB3 HIS 80 HB3 HIS 80 1.206 1.009 -28.556 604 HD1 HIS 80 HD1 HIS 80 -2.194 0.409 -26.890 605 HD2 HIS 80 HD2 HIS 80 0.496 -1.432 -29.553 606 HE1 HIS 80 HE1 HIS 80 -3.449 -1.564 -27.925 607 H HIS 81 H HIS 81 3.195 -0.214 -24.876 608 HA HIS 81 HA HIS 81 5.156 -1.234 -26.674 609 HB2 HIS 81 HB2 HIS 81 4.853 -1.651 -23.674 610 HB3 HIS 81 HB3 HIS 81 6.338 -1.840 -24.601 611 HD1 HIS 81 HD1 HIS 81 5.396 0.435 -22.202 612 HD2 HIS 81 HD2 HIS 81 6.409 0.871 -26.264 613 HE1 HIS 81 HE1 HIS 81 6.184 2.845 -22.488 614 H HIS 82 H HIS 82 6.204 -3.392 -26.452 615 HA HIS 82 HA HIS 82 4.484 -5.585 -27.056 616 HB2 HIS 82 HB2 HIS 82 6.830 -5.353 -27.807 617 HB3 HIS 82 HB3 HIS 82 7.389 -5.536 -26.143 618 HD1 HIS 82 HD1 HIS 82 5.674 -7.624 -28.920 619 HD2 HIS 82 HD2 HIS 82 7.641 -8.010 -25.217 620 HE1 HIS 82 HE1 HIS 82 6.042 -10.121 -28.564 621 H HIS 83 H HIS 83 3.635 -7.196 -25.870 622 HA HIS 83 HA HIS 83 4.226 -7.601 -22.998 623 HB2 HIS 83 HB2 HIS 83 1.505 -6.837 -24.139 624 HB3 HIS 83 HB3 HIS 83 1.701 -7.673 -22.607 625 HD1 HIS 83 HD1 HIS 83 2.403 -4.206 -24.139 626 HD2 HIS 83 HD2 HIS 83 2.489 -6.289 -20.484 627 HE1 HIS 83 HE1 HIS 83 2.640 -2.438 -22.317 Start of MODEL 19 1 H1 MET 1 H1 MET 1 11.988 5.244 7.844 2 H2 MET 1 H2 MET 1 11.194 5.465 9.251 3 H3 MET 1 H3 MET 1 11.977 4.050 8.963 4 HA MET 1 HA MET 1 10.506 3.543 7.138 5 HB2 MET 1 HB2 MET 1 8.554 2.889 8.398 6 HB3 MET 1 HB3 MET 1 10.004 2.610 9.329 7 HG2 MET 1 HG2 MET 1 8.401 3.406 10.849 8 HG3 MET 1 HG3 MET 1 9.547 4.711 10.630 9 HE1 MET 1 HE1 MET 1 5.125 4.663 9.201 10 HE2 MET 1 HE2 MET 1 6.314 3.539 8.515 11 HE3 MET 1 HE3 MET 1 5.885 3.436 10.238 12 H ALA 2 H ALA 2 8.115 3.954 6.426 13 HA ALA 2 HA ALA 2 7.293 6.810 6.342 14 HB1 ALA 2 HB1 ALA 2 7.766 5.110 3.811 15 HB2 ALA 2 HB2 ALA 2 7.176 6.753 3.843 16 HB3 ALA 2 HB3 ALA 2 8.869 6.435 4.310 17 H THR 3 H THR 3 5.401 7.218 5.435 18 HA THR 3 HA THR 3 3.309 5.179 5.705 19 HB THR 3 HB THR 3 1.939 7.031 4.781 20 HG1 THR 3 HG1 THR 3 2.831 9.119 4.844 21 HG21 THR 3 HG21 THR 3 2.161 6.519 7.197 22 HG22 THR 3 HG22 THR 3 3.644 7.515 7.288 23 HG23 THR 3 HG23 THR 3 2.048 8.285 7.001 24 HA PRO 4 HA PRO 4 3.681 3.661 1.910 25 HB2 PRO 4 HB2 PRO 4 0.732 3.724 1.414 26 HB3 PRO 4 HB3 PRO 4 1.888 2.341 1.349 27 HG2 PRO 4 HG2 PRO 4 0.248 2.717 3.543 28 HG3 PRO 4 HG3 PRO 4 1.960 2.186 3.724 29 HD2 PRO 4 HD2 PRO 4 0.869 4.923 4.191 30 HD3 PRO 4 HD3 PRO 4 2.041 3.916 5.053 31 H TRP 5 H TRP 5 1.934 6.681 1.800 32 HA TRP 5 HA TRP 5 3.203 7.300 -0.813 33 HB2 TRP 5 HB2 TRP 5 0.361 8.044 -0.128 34 HB3 TRP 5 HB3 TRP 5 1.239 8.306 -1.646 35 HD1 TRP 5 HD1 TRP 5 1.571 6.167 -3.249 36 HE1 TRP 5 HE1 TRP 5 0.234 3.991 -3.510 37 HE3 TRP 5 HE3 TRP 5 -1.085 6.315 1.134 38 HZ2 TRP 5 HZ2 TRP 5 -1.693 2.474 -1.986 39 HZ3 TRP 5 HZ3 TRP 5 -2.654 4.474 1.712 40 HH2 TRP 5 HH2 TRP 5 -2.960 2.553 0.168 41 H SER 6 H SER 6 4.269 9.094 -0.766 42 HA SER 6 HA SER 6 3.453 11.440 0.838 43 HB2 SER 6 HB2 SER 6 4.842 10.071 2.369 44 HB3 SER 6 HB3 SER 6 6.159 10.090 1.184 45 HG SER 6 HG SER 6 6.376 11.710 2.830 46 H GLY 7 H GLY 7 5.780 10.014 -1.441 47 HA2 GLY 7 HA2 GLY 7 6.237 12.645 -2.774 48 HA3 GLY 7 HA3 GLY 7 7.235 11.201 -2.926 49 H TYR 8 H TYR 8 3.726 11.031 -3.153 50 HA TYR 8 HA TYR 8 3.709 10.907 -6.060 51 HB2 TYR 8 HB2 TYR 8 4.327 8.593 -5.058 52 HB3 TYR 8 HB3 TYR 8 2.711 8.538 -4.420 53 HD1 TYR 8 HD2 TYR 8 4.743 8.610 -7.522 54 HD2 TYR 8 HD1 TYR 8 0.784 8.090 -5.877 55 HE1 TYR 8 HE2 TYR 8 3.951 7.723 -9.710 56 HE2 TYR 8 HE1 TYR 8 -0.005 7.204 -8.071 57 HH TYR 8 HH TYR 8 2.179 6.893 -10.899 58 H LEU 9 H LEU 9 1.689 10.043 -3.279 59 HA LEU 9 HA LEU 9 -0.842 10.878 -4.178 60 HB2 LEU 9 HB2 LEU 9 -0.520 9.415 -2.362 61 HB3 LEU 9 HB3 LEU 9 0.493 10.551 -1.473 62 HG LEU 9 HG LEU 9 -1.669 10.082 -0.479 63 HD11 LEU 9 HD11 LEU 9 -2.175 12.240 0.286 64 HD12 LEU 9 HD12 LEU 9 -0.429 12.152 -0.015 65 HD13 LEU 9 HD13 LEU 9 -1.501 13.030 -1.139 66 HD21 LEU 9 HD21 LEU 9 -2.917 11.561 -2.810 67 HD22 LEU 9 HD22 LEU 9 -3.020 9.820 -2.495 68 HD23 LEU 9 HD23 LEU 9 -3.744 10.957 -1.351 69 H ASP 10 H ASP 10 1.750 12.821 -2.785 70 HA ASP 10 HA ASP 10 0.207 15.077 -2.080 71 HB2 ASP 10 HB2 ASP 10 2.467 14.401 -1.229 72 HB3 ASP 10 HB3 ASP 10 3.174 14.942 -2.753 73 H ASP 11 H ASP 11 0.609 14.074 -5.196 74 HA ASP 11 HA ASP 11 0.045 16.814 -6.263 75 HB2 ASP 11 HB2 ASP 11 2.256 15.836 -6.985 76 HB3 ASP 11 HB3 ASP 11 1.376 14.507 -7.735 77 H VAL 12 H VAL 12 -1.390 13.998 -5.444 78 HA VAL 12 HA VAL 12 -3.455 14.019 -7.543 79 HB VAL 12 HB VAL 12 -2.493 11.899 -5.584 80 HG11 VAL 12 HG11 VAL 12 -4.876 11.622 -5.625 81 HG12 VAL 12 HG12 VAL 12 -4.915 11.757 -7.409 82 HG13 VAL 12 HG13 VAL 12 -4.150 10.357 -6.618 83 HG21 VAL 12 HG21 VAL 12 -1.977 10.615 -7.619 84 HG22 VAL 12 HG22 VAL 12 -2.550 11.969 -8.625 85 HG23 VAL 12 HG23 VAL 12 -1.115 12.160 -7.588 86 H SER 13 H SER 13 -3.018 13.692 -4.018 87 HA SER 13 HA SER 13 -5.733 14.430 -3.421 88 HB2 SER 13 HB2 SER 13 -4.462 13.008 -1.957 89 HB3 SER 13 HB3 SER 13 -3.269 14.304 -1.672 90 HG SER 13 HG SER 13 -4.868 14.159 0.005 91 H ALA 14 H ALA 14 -2.596 16.173 -3.516 92 HA ALA 14 HA ALA 14 -3.704 18.555 -2.559 93 HB1 ALA 14 HB1 ALA 14 -1.735 19.687 -3.215 94 HB2 ALA 14 HB2 ALA 14 -1.338 18.112 -2.501 95 HB3 ALA 14 HB3 ALA 14 -1.254 18.337 -4.281 96 H LYS 15 H LYS 15 -3.632 17.265 -5.834 97 HA LYS 15 HA LYS 15 -4.487 19.469 -7.366 98 HB2 LYS 15 HB2 LYS 15 -3.795 17.526 -8.478 99 HB3 LYS 15 HB3 LYS 15 -4.869 16.475 -7.568 100 HG2 LYS 15 HG2 LYS 15 -6.833 17.304 -8.703 101 HG3 LYS 15 HG3 LYS 15 -5.874 18.524 -9.569 102 HD2 LYS 15 HD2 LYS 15 -5.592 15.495 -9.840 103 HD3 LYS 15 HD3 LYS 15 -6.459 16.556 -10.961 104 HE2 LYS 15 HE2 LYS 15 -4.322 17.795 -11.399 105 HE3 LYS 15 HE3 LYS 15 -3.467 16.650 -10.356 106 HZ1 LYS 15 HZ1 LYS 15 -4.916 15.931 -12.849 107 HZ2 LYS 15 HZ2 LYS 15 -3.296 16.009 -12.683 108 HZ3 LYS 15 HZ3 LYS 15 -4.139 14.867 -11.879 109 H PHE 16 H PHE 16 -6.394 17.151 -5.473 110 HA PHE 16 HA PHE 16 -8.906 18.465 -5.769 111 HB2 PHE 16 HB2 PHE 16 -9.301 16.381 -5.001 112 HB3 PHE 16 HB3 PHE 16 -7.782 16.253 -4.150 113 HD1 PHE 16 HD2 PHE 16 -11.200 17.705 -3.931 114 HD2 PHE 16 HD1 PHE 16 -7.637 16.602 -1.770 115 HE1 PHE 16 HE2 PHE 16 -12.357 18.156 -1.780 116 HE2 PHE 16 HE1 PHE 16 -8.796 17.047 0.375 117 HZ PHE 16 HZ PHE 16 -11.156 17.838 0.377 118 H ASP 17 H ASP 17 -6.432 18.586 -3.169 119 HA ASP 17 HA ASP 17 -7.799 20.241 -1.481 120 HB2 ASP 17 HB2 ASP 17 -5.721 18.891 -1.011 121 HB3 ASP 17 HB3 ASP 17 -4.785 20.208 -1.737 122 H THR 18 H THR 18 -5.953 21.405 -4.244 123 HA THR 18 HA THR 18 -6.301 24.167 -3.382 124 HB THR 18 HB THR 18 -4.197 23.251 -4.407 125 HG1 THR 18 HG1 THR 18 -5.410 25.573 -5.506 126 HG21 THR 18 HG21 THR 18 -3.984 23.289 -6.816 127 HG22 THR 18 HG22 THR 18 -5.260 22.137 -6.370 128 HG23 THR 18 HG23 THR 18 -5.696 23.738 -7.010 129 H GLY 19 H GLY 19 -7.870 21.958 -5.631 130 HA2 GLY 19 HA2 GLY 19 -9.349 24.063 -7.068 131 HA3 GLY 19 HA3 GLY 19 -9.610 22.329 -7.189 132 H VAL 20 H VAL 20 -10.059 21.638 -4.502 133 HA VAL 20 HA VAL 20 -12.701 22.448 -3.904 134 HB VAL 20 HB VAL 20 -11.105 20.531 -2.918 135 HG11 VAL 20 HG11 VAL 20 -10.896 22.451 -0.618 136 HG12 VAL 20 HG12 VAL 20 -10.408 20.745 -0.686 137 HG13 VAL 20 HG13 VAL 20 -9.575 21.926 -1.694 138 HG21 VAL 20 HG21 VAL 20 -13.268 21.957 -1.279 139 HG22 VAL 20 HG22 VAL 20 -13.595 20.771 -2.539 140 HG23 VAL 20 HG23 VAL 20 -12.773 20.266 -1.054 141 H ASP 21 H ASP 21 -9.638 23.789 -2.874 142 HA ASP 21 HA ASP 21 -10.780 25.665 -1.158 143 HB2 ASP 21 HB2 ASP 21 -8.579 25.033 -0.831 144 HB3 ASP 21 HB3 ASP 21 -8.141 25.357 -2.486 145 H ASN 22 H ASN 22 -10.594 25.870 -4.674 146 HA ASN 22 HA ASN 22 -11.189 28.686 -4.679 147 HB2 ASN 22 HB2 ASN 22 -11.870 26.444 -6.687 148 HB3 ASN 22 HB3 ASN 22 -12.118 28.160 -6.988 149 HD21 ASN 22 HD22 ASN 22 -9.931 29.533 -6.509 150 HD22 ASN 22 HD21 ASN 22 -8.530 28.833 -7.305 151 H LEU 23 H LEU 23 -13.078 25.773 -4.184 152 HA LEU 23 HA LEU 23 -15.562 27.243 -4.212 153 HB2 LEU 23 HB2 LEU 23 -14.986 24.587 -4.733 154 HB3 LEU 23 HB3 LEU 23 -15.706 24.517 -3.143 155 HG LEU 23 HG LEU 23 -17.364 24.371 -4.897 156 HD11 LEU 23 HD11 LEU 23 -18.937 25.905 -4.118 157 HD12 LEU 23 HD12 LEU 23 -17.803 25.838 -2.779 158 HD13 LEU 23 HD13 LEU 23 -17.752 27.203 -3.888 159 HD21 LEU 23 HD21 LEU 23 -18.233 26.160 -6.282 160 HD22 LEU 23 HD22 LEU 23 -16.672 27.006 -6.086 161 HD23 LEU 23 HD23 LEU 23 -16.716 25.379 -6.826 162 H GLN 24 H GLN 24 -13.477 25.750 -1.791 163 HA GLN 24 HA GLN 24 -14.802 26.430 0.540 164 HB2 GLN 24 HB2 GLN 24 -12.587 25.077 0.128 165 HB3 GLN 24 HB3 GLN 24 -11.816 26.676 0.321 166 HG2 GLN 24 HG2 GLN 24 -11.679 25.589 2.353 167 HG3 GLN 24 HG3 GLN 24 -12.839 26.927 2.503 168 HE21 GLN 24 HE22 GLN 24 -14.584 26.372 3.796 169 HE22 GLN 24 HE21 GLN 24 -15.295 24.765 3.844 170 H THR 25 H THR 25 -12.370 28.449 -1.240 171 HA THR 25 HA THR 25 -12.394 30.647 0.495 172 HB THR 25 HB THR 25 -10.818 30.124 -1.374 173 HG1 THR 25 HG1 THR 25 -10.593 32.056 -0.345 174 HG21 THR 25 HG21 THR 25 -12.375 29.871 -3.200 175 HG22 THR 25 HG22 THR 25 -12.702 31.625 -3.193 176 HG23 THR 25 HG23 THR 25 -11.074 30.997 -3.549 177 H GLN 26 H GLN 26 -14.353 30.000 -2.336 178 HA GLN 26 HA GLN 26 -16.118 32.185 -2.165 179 HB2 GLN 26 HB2 GLN 26 -15.905 29.605 -3.602 180 HB3 GLN 26 HB3 GLN 26 -17.553 29.942 -3.192 181 HG2 GLN 26 HG2 GLN 26 -17.496 32.101 -4.305 182 HG3 GLN 26 HG3 GLN 26 -15.747 31.948 -4.596 183 HE21 GLN 26 HE22 GLN 26 -15.179 29.705 -5.826 184 HE22 GLN 26 HE21 GLN 26 -16.236 29.432 -7.211 185 H VAL 27 H VAL 27 -16.719 28.900 -0.731 186 HA VAL 27 HA VAL 27 -19.121 29.729 0.453 187 HB VAL 27 HB VAL 27 -19.274 27.852 1.644 188 HG11 VAL 27 HG11 VAL 27 -18.813 26.060 0.263 189 HG12 VAL 27 HG12 VAL 27 -18.612 27.398 -0.899 190 HG13 VAL 27 HG13 VAL 27 -17.198 26.625 -0.146 191 HG21 VAL 27 HG21 VAL 27 -17.469 27.882 3.195 192 HG22 VAL 27 HG22 VAL 27 -17.598 26.300 2.436 193 HG23 VAL 27 HG23 VAL 27 -16.318 27.417 1.924 194 H THR 28 H THR 28 -15.773 29.859 1.613 195 HA THR 28 HA THR 28 -16.345 30.708 4.239 196 HB THR 28 HB THR 28 -13.899 31.423 2.656 197 HG1 THR 28 HG1 THR 28 -14.120 29.181 2.685 198 HG21 THR 28 HG21 THR 28 -13.888 32.650 4.608 199 HG22 THR 28 HG22 THR 28 -14.601 31.322 5.570 200 HG23 THR 28 HG23 THR 28 -12.890 31.216 5.006 201 H GLU 29 H GLU 29 -16.027 32.520 1.175 202 HA GLU 29 HA GLU 29 -16.062 34.988 2.567 203 HB2 GLU 29 HB2 GLU 29 -16.438 34.319 -0.308 204 HB3 GLU 29 HB3 GLU 29 -16.536 35.944 0.339 205 HG2 GLU 29 HG2 GLU 29 -14.347 35.783 1.380 206 HG3 GLU 29 HG3 GLU 29 -14.082 34.207 0.697 207 H ALA 30 H ALA 30 -18.645 32.872 1.222 208 HA ALA 30 HA ALA 30 -20.863 34.614 1.799 209 HB1 ALA 30 HB1 ALA 30 -21.210 32.583 0.448 210 HB2 ALA 30 HB2 ALA 30 -20.562 31.554 1.728 211 HB3 ALA 30 HB3 ALA 30 -22.081 32.395 1.993 212 H LEU 31 H LEU 31 -19.067 32.232 3.689 213 HA LEU 31 HA LEU 31 -20.313 32.670 6.170 214 HB2 LEU 31 HB2 LEU 31 -18.834 30.738 5.449 215 HB3 LEU 31 HB3 LEU 31 -17.482 31.847 5.582 216 HG LEU 31 HG LEU 31 -18.253 32.222 8.043 217 HD11 LEU 31 HD11 LEU 31 -19.524 30.490 9.020 218 HD12 LEU 31 HD12 LEU 31 -20.466 30.990 7.593 219 HD13 LEU 31 HD13 LEU 31 -19.488 29.516 7.519 220 HD21 LEU 31 HD21 LEU 31 -17.018 29.669 7.003 221 HD22 LEU 31 HD22 LEU 31 -16.205 31.220 7.312 222 HD23 LEU 31 HD23 LEU 31 -16.901 30.344 8.693 223 H ASP 32 H ASP 32 -17.546 34.431 4.630 224 HA ASP 32 HA ASP 32 -16.852 35.986 6.840 225 HB2 ASP 32 HB2 ASP 32 -15.479 35.996 4.869 226 HB3 ASP 32 HB3 ASP 32 -16.761 36.571 3.834 227 H LYS 33 H LYS 33 -19.611 36.280 4.630 228 HA LYS 33 HA LYS 33 -20.728 38.592 5.871 229 HB2 LYS 33 HB2 LYS 33 -22.414 36.665 4.438 230 HB3 LYS 33 HB3 LYS 33 -22.459 38.439 4.587 231 HG2 LYS 33 HG2 LYS 33 -20.994 36.604 2.765 232 HG3 LYS 33 HG3 LYS 33 -22.019 37.935 2.337 233 HD2 LYS 33 HD2 LYS 33 -20.188 39.489 3.227 234 HD3 LYS 33 HD3 LYS 33 -19.115 38.053 3.275 235 HE2 LYS 33 HE2 LYS 33 -19.499 37.574 0.951 236 HE3 LYS 33 HE3 LYS 33 -20.547 39.002 0.797 237 HZ1 LYS 33 HZ1 LYS 33 -18.632 40.389 1.374 238 HZ2 LYS 33 HZ2 LYS 33 -17.675 39.082 1.576 239 HZ3 LYS 33 HZ3 LYS 33 -18.242 39.462 0.088 240 H LEU 34 H LEU 34 -21.257 35.074 6.146 241 HA LEU 34 HA LEU 34 -23.385 35.326 7.947 242 HB2 LEU 34 HB2 LEU 34 -22.510 33.470 6.343 243 HB3 LEU 34 HB3 LEU 34 -21.880 32.741 7.842 244 HG LEU 34 HG LEU 34 -24.747 33.611 7.364 245 HD11 LEU 34 HD11 LEU 34 -23.518 30.890 6.955 246 HD12 LEU 34 HD12 LEU 34 -25.266 31.269 6.772 247 HD13 LEU 34 HD13 LEU 34 -24.072 32.066 5.755 248 HD21 LEU 34 HD21 LEU 34 -23.922 32.811 9.738 249 HD22 LEU 34 HD22 LEU 34 -25.532 32.353 9.045 250 HD23 LEU 34 HD23 LEU 34 -24.154 31.216 9.081 251 H ALA 35 H ALA 35 -19.999 35.286 8.523 252 HA ALA 35 HA ALA 35 -20.120 34.965 11.404 253 HB1 ALA 35 HB1 ALA 35 -17.937 35.852 9.473 254 HB2 ALA 35 HB2 ALA 35 -17.724 35.453 11.202 255 HB3 ALA 35 HB3 ALA 35 -18.253 34.202 10.049 256 H ALA 36 H ALA 36 -20.671 37.548 9.102 257 HA ALA 36 HA ALA 36 -20.321 39.776 10.932 258 HB1 ALA 36 HB1 ALA 36 -20.901 41.145 9.014 259 HB2 ALA 36 HB2 ALA 36 -19.764 39.896 8.475 260 HB3 ALA 36 HB3 ALA 36 -21.486 39.764 8.087 261 H LYS 37 H LYS 37 -23.145 38.397 9.233 262 HA LYS 37 HA LYS 37 -25.030 39.439 11.346 263 HB2 LYS 37 HB2 LYS 37 -24.701 40.885 9.131 264 HB3 LYS 37 HB3 LYS 37 -25.547 39.557 8.411 265 HG2 LYS 37 HG2 LYS 37 -27.451 40.022 10.071 266 HG3 LYS 37 HG3 LYS 37 -26.564 41.501 10.502 267 HD2 LYS 37 HD2 LYS 37 -26.597 42.212 8.113 268 HD3 LYS 37 HD3 LYS 37 -27.406 40.696 7.672 269 HE2 LYS 37 HE2 LYS 37 -29.230 41.333 9.347 270 HE3 LYS 37 HE3 LYS 37 -28.452 42.915 9.484 271 HZ1 LYS 37 HZ1 LYS 37 -28.824 43.165 7.044 272 HZ2 LYS 37 HZ2 LYS 37 -29.612 41.717 7.021 273 HZ3 LYS 37 HZ3 LYS 37 -30.238 42.982 7.845 274 HA PRO 38 HA PRO 38 -24.836 34.952 9.644 275 HB2 PRO 38 HB2 PRO 38 -25.926 34.053 12.273 276 HB3 PRO 38 HB3 PRO 38 -24.393 33.676 11.442 277 HG2 PRO 38 HG2 PRO 38 -24.877 35.605 13.571 278 HG3 PRO 38 HG3 PRO 38 -23.310 35.063 12.903 279 HD2 PRO 38 HD2 PRO 38 -24.470 37.568 12.533 280 HD3 PRO 38 HD3 PRO 38 -23.191 36.890 11.496 281 H SER 39 H SER 39 -27.835 34.671 11.556 282 HA SER 39 HA SER 39 -28.795 33.422 9.196 283 HB2 SER 39 HB2 SER 39 -30.797 32.916 10.552 284 HB3 SER 39 HB3 SER 39 -29.228 32.274 10.995 285 HG SER 39 HG SER 39 -30.675 34.402 12.254 286 H ASP 40 H ASP 40 -28.260 36.208 9.008 287 HA ASP 40 HA ASP 40 -30.699 37.468 8.004 288 HB2 ASP 40 HB2 ASP 40 -28.733 38.917 8.334 289 HB3 ASP 40 HB3 ASP 40 -27.762 37.913 7.313 290 HA PRO 41 HA PRO 41 -30.280 33.501 5.963 291 HB2 PRO 41 HB2 PRO 41 -32.735 33.278 4.796 292 HB3 PRO 41 HB3 PRO 41 -32.391 33.081 6.568 293 HG2 PRO 41 HG2 PRO 41 -33.484 35.477 4.977 294 HG3 PRO 41 HG3 PRO 41 -34.113 34.836 6.539 295 HD2 PRO 41 HD2 PRO 41 -32.373 36.978 6.220 296 HD3 PRO 41 HD3 PRO 41 -32.522 36.011 7.699 297 H ALA 42 H ALA 42 -30.611 36.561 4.351 298 HA ALA 42 HA ALA 42 -30.646 35.571 1.646 299 HB1 ALA 42 HB1 ALA 42 -31.799 37.562 2.398 300 HB2 ALA 42 HB2 ALA 42 -30.252 38.338 2.809 301 HB3 ALA 42 HB3 ALA 42 -30.616 37.936 1.106 302 H LEU 43 H LEU 43 -28.120 37.231 3.759 303 HA LEU 43 HA LEU 43 -25.914 36.411 2.005 304 HB2 LEU 43 HB2 LEU 43 -24.492 37.166 3.733 305 HB3 LEU 43 HB3 LEU 43 -25.815 38.332 3.679 306 HG LEU 43 HG LEU 43 -26.746 36.853 5.657 307 HD11 LEU 43 HD11 LEU 43 -24.714 35.115 5.441 308 HD12 LEU 43 HD12 LEU 43 -23.816 36.454 6.015 309 HD13 LEU 43 HD13 LEU 43 -25.147 35.825 7.025 310 HD21 LEU 43 HD21 LEU 43 -24.299 38.580 5.873 311 HD22 LEU 43 HD22 LEU 43 -26.036 39.035 6.158 312 HD23 LEU 43 HD23 LEU 43 -25.184 37.914 7.281 313 H LEU 44 H LEU 44 -27.490 35.073 4.916 314 HA LEU 44 HA LEU 44 -25.763 32.751 5.119 315 HB2 LEU 44 HB2 LEU 44 -26.657 32.958 7.092 316 HB3 LEU 44 HB3 LEU 44 -28.178 33.552 6.595 317 HG LEU 44 HG LEU 44 -27.139 30.827 5.965 318 HD11 LEU 44 HD11 LEU 44 -27.558 30.649 8.268 319 HD12 LEU 44 HD12 LEU 44 -29.263 31.260 7.914 320 HD13 LEU 44 HD13 LEU 44 -28.599 29.702 7.103 321 HD21 LEU 44 HD21 LEU 44 -28.731 30.552 4.822 322 HD22 LEU 44 HD22 LEU 44 -30.007 31.127 6.046 323 HD23 LEU 44 HD23 LEU 44 -29.134 32.267 5.068 324 H ALA 45 H ALA 45 -28.852 33.069 3.125 325 HA ALA 45 HA ALA 45 -28.396 30.351 2.732 326 HB1 ALA 45 HB1 ALA 45 -30.551 31.066 2.676 327 HB2 ALA 45 HB2 ALA 45 -30.322 32.072 1.191 328 HB3 ALA 45 HB3 ALA 45 -30.187 30.286 1.138 329 H ALA 46 H ALA 46 -27.066 33.158 1.109 330 HA ALA 46 HA ALA 46 -26.084 31.921 -1.253 331 HB1 ALA 46 HB1 ALA 46 -24.433 33.693 -1.235 332 HB2 ALA 46 HB2 ALA 46 -26.060 34.344 -0.927 333 HB3 ALA 46 HB3 ALA 46 -24.912 34.200 0.419 334 H TYR 47 H TYR 47 -24.948 31.999 2.170 335 HA TYR 47 HA TYR 47 -22.638 30.351 1.818 336 HB2 TYR 47 HB2 TYR 47 -23.402 31.669 3.945 337 HB3 TYR 47 HB3 TYR 47 -24.435 30.407 4.238 338 HD1 TYR 47 HD2 TYR 47 -20.808 30.233 3.338 339 HD2 TYR 47 HD1 TYR 47 -24.049 28.833 5.773 340 HE1 TYR 47 HE2 TYR 47 -19.295 28.571 4.381 341 HE2 TYR 47 HE1 TYR 47 -22.539 27.182 6.844 342 HH TYR 47 HH TYR 47 -19.095 26.858 5.903 343 H GLN 48 H GLN 48 -25.940 29.615 2.884 344 HA GLN 48 HA GLN 48 -25.735 26.896 3.011 345 HB2 GLN 48 HB2 GLN 48 -28.273 28.347 2.341 346 HB3 GLN 48 HB3 GLN 48 -28.095 26.731 2.993 347 HG2 GLN 48 HG2 GLN 48 -27.296 29.162 4.415 348 HG3 GLN 48 HG3 GLN 48 -28.797 28.285 4.602 349 HE21 GLN 48 HE22 GLN 48 -28.449 25.763 5.092 350 HE22 GLN 48 HE21 GLN 48 -27.213 25.464 6.305 351 H SER 49 H SER 49 -26.135 28.877 0.166 352 HA SER 49 HA SER 49 -26.459 26.784 -1.722 353 HB2 SER 49 HB2 SER 49 -25.580 29.760 -2.019 354 HB3 SER 49 HB3 SER 49 -25.790 28.681 -3.386 355 HG SER 49 HG SER 49 -27.750 29.457 -1.475 356 H LYS 50 H LYS 50 -23.633 28.887 -0.919 357 HA LYS 50 HA LYS 50 -21.873 27.574 -2.690 358 HB2 LYS 50 HB2 LYS 50 -21.352 29.329 -0.203 359 HB3 LYS 50 HB3 LYS 50 -20.120 28.807 -1.335 360 HG2 LYS 50 HG2 LYS 50 -22.440 30.016 -2.740 361 HG3 LYS 50 HG3 LYS 50 -21.642 31.093 -1.607 362 HD2 LYS 50 HD2 LYS 50 -20.716 31.359 -3.756 363 HD3 LYS 50 HD3 LYS 50 -19.520 30.704 -2.600 364 HE2 LYS 50 HE2 LYS 50 -19.027 29.080 -4.056 365 HE3 LYS 50 HE3 LYS 50 -20.611 28.433 -3.758 366 HZ1 LYS 50 HZ1 LYS 50 -19.815 30.337 -5.919 367 HZ2 LYS 50 HZ2 LYS 50 -20.326 28.816 -6.141 368 HZ3 LYS 50 HZ3 LYS 50 -21.390 29.956 -5.636 369 H LEU 51 H LEU 51 -22.621 26.910 0.616 370 HA LEU 51 HA LEU 51 -20.916 24.803 1.388 371 HB2 LEU 51 HB2 LEU 51 -22.433 26.094 2.799 372 HB3 LEU 51 HB3 LEU 51 -23.776 25.793 1.791 373 HG LEU 51 HG LEU 51 -22.560 23.625 3.516 374 HD11 LEU 51 HD11 LEU 51 -24.224 24.226 5.158 375 HD12 LEU 51 HD12 LEU 51 -23.388 25.735 4.723 376 HD13 LEU 51 HD13 LEU 51 -24.979 25.377 4.045 377 HD21 LEU 51 HD21 LEU 51 -25.265 23.977 2.115 378 HD22 LEU 51 HD22 LEU 51 -24.075 22.690 1.798 379 HD23 LEU 51 HD23 LEU 51 -24.940 22.731 3.334 380 H SER 52 H SER 52 -23.926 24.753 -0.545 381 HA SER 52 HA SER 52 -23.720 21.936 -1.103 382 HB2 SER 52 HB2 SER 52 -25.400 24.034 -2.515 383 HB3 SER 52 HB3 SER 52 -25.543 22.278 -2.618 384 HG SER 52 HG SER 52 -26.115 23.953 -0.391 385 H GLU 53 H GLU 53 -22.967 24.931 -2.951 386 HA GLU 53 HA GLU 53 -22.246 23.752 -5.364 387 HB2 GLU 53 HB2 GLU 53 -21.021 26.146 -4.072 388 HB3 GLU 53 HB3 GLU 53 -20.715 25.552 -5.714 389 HG2 GLU 53 HG2 GLU 53 -23.140 26.966 -4.721 390 HG3 GLU 53 HG3 GLU 53 -21.840 27.427 -5.853 391 H TYR 54 H TYR 54 -20.388 24.140 -2.380 392 HA TYR 54 HA TYR 54 -17.901 23.222 -3.402 393 HB2 TYR 54 HB2 TYR 54 -17.380 24.287 -1.510 394 HB3 TYR 54 HB3 TYR 54 -18.961 24.141 -0.875 395 HD1 TYR 54 HD2 TYR 54 -15.822 22.299 -1.552 396 HD2 TYR 54 HD1 TYR 54 -19.284 22.678 0.987 397 HE1 TYR 54 HE2 TYR 54 -14.934 20.557 -0.112 398 HE2 TYR 54 HE1 TYR 54 -18.422 20.941 2.468 399 HH TYR 54 HH TYR 54 -16.694 19.392 2.843 400 H ASN 55 H ASN 55 -20.647 21.477 -1.925 401 HA ASN 55 HA ASN 55 -19.365 18.958 -2.167 402 HB2 ASN 55 HB2 ASN 55 -21.761 19.847 -1.015 403 HB3 ASN 55 HB3 ASN 55 -22.276 18.941 -2.436 404 HD21 ASN 55 HD22 ASN 55 -23.293 17.395 -1.000 405 HD22 ASN 55 HD21 ASN 55 -22.284 16.180 -0.226 406 H LEU 56 H LEU 56 -21.213 20.992 -4.452 407 HA LEU 56 HA LEU 56 -21.304 19.091 -6.608 408 HB2 LEU 56 HB2 LEU 56 -21.649 22.047 -6.286 409 HB3 LEU 56 HB3 LEU 56 -21.300 21.480 -7.888 410 HG LEU 56 HG LEU 56 -23.314 20.204 -7.995 411 HD11 LEU 56 HD11 LEU 56 -24.023 21.132 -5.187 412 HD12 LEU 56 HD12 LEU 56 -25.026 20.168 -6.280 413 HD13 LEU 56 HD13 LEU 56 -23.547 19.470 -5.608 414 HD21 LEU 56 HD21 LEU 56 -23.663 23.013 -6.845 415 HD22 LEU 56 HD22 LEU 56 -23.356 22.584 -8.530 416 HD23 LEU 56 HD23 LEU 56 -24.901 22.127 -7.784 417 H TYR 57 H TYR 57 -18.846 21.560 -5.637 418 HA TYR 57 HA TYR 57 -17.021 21.071 -7.714 419 HB2 TYR 57 HB2 TYR 57 -16.350 22.827 -6.480 420 HB3 TYR 57 HB3 TYR 57 -16.660 22.070 -4.938 421 HD1 TYR 57 HD1 TYR 57 -15.183 20.287 -4.075 422 HD2 TYR 57 HD2 TYR 57 -14.256 22.358 -7.737 423 HE1 TYR 57 HE1 TYR 57 -13.101 18.980 -4.270 424 HE2 TYR 57 HE2 TYR 57 -12.097 21.128 -7.884 425 HH TYR 57 HH TYR 57 -10.804 19.487 -7.004 426 H ARG 58 H ARG 58 -17.576 19.363 -4.681 427 HA ARG 58 HA ARG 58 -15.771 17.225 -4.904 428 HB2 ARG 58 HB2 ARG 58 -17.766 18.178 -3.145 429 HB3 ARG 58 HB3 ARG 58 -18.414 16.634 -3.603 430 HG2 ARG 58 HG2 ARG 58 -17.292 16.246 -1.635 431 HG3 ARG 58 HG3 ARG 58 -16.121 15.675 -2.851 432 HD2 ARG 58 HD2 ARG 58 -14.922 17.863 -2.657 433 HD3 ARG 58 HD3 ARG 58 -16.160 18.457 -1.569 434 HE ARG 58 HE ARG 58 -15.154 17.451 0.193 435 HH11 ARG 58 HH21 ARG 58 -13.936 15.701 -2.603 436 HH12 ARG 58 HH22 ARG 58 -12.861 14.744 -1.626 437 HH21 ARG 58 HH11 ARG 58 -13.782 16.178 1.352 438 HH22 ARG 58 HH12 ARG 58 -12.786 15.004 0.546 439 H ASN 59 H ASN 59 -19.124 17.468 -5.985 440 HA ASN 59 HA ASN 59 -19.393 14.889 -7.064 441 HB2 ASN 59 HB2 ASN 59 -21.268 16.622 -6.556 442 HB3 ASN 59 HB3 ASN 59 -20.826 17.380 -8.074 443 HD21 ASN 59 HD22 ASN 59 -22.475 16.885 -9.493 444 HD22 ASN 59 HD21 ASN 59 -23.074 15.252 -9.739 445 H ALA 60 H ALA 60 -18.487 17.943 -8.609 446 HA ALA 60 HA ALA 60 -18.047 17.018 -11.234 447 HB1 ALA 60 HB1 ALA 60 -16.802 19.372 -9.751 448 HB2 ALA 60 HB2 ALA 60 -16.854 19.150 -11.512 449 HB3 ALA 60 HB3 ALA 60 -18.361 19.385 -10.598 450 H GLN 61 H GLN 61 -15.830 17.286 -8.428 451 HA GLN 61 HA GLN 61 -13.681 15.969 -9.725 452 HB2 GLN 61 HB2 GLN 61 -13.648 17.595 -7.781 453 HB3 GLN 61 HB3 GLN 61 -13.904 16.149 -6.778 454 HG2 GLN 61 HG2 GLN 61 -11.522 16.263 -6.881 455 HG3 GLN 61 HG3 GLN 61 -11.875 15.141 -8.200 456 HE21 GLN 61 HE22 GLN 61 -9.542 15.956 -8.661 457 HE22 GLN 61 HE21 GLN 61 -9.464 17.342 -9.742 458 H SER 62 H SER 62 -16.291 14.604 -9.518 459 HA SER 62 HA SER 62 -15.149 11.924 -9.374 460 HB2 SER 62 HB2 SER 62 -16.612 12.612 -7.323 461 HB3 SER 62 HB3 SER 62 -17.970 12.457 -8.448 462 HG SER 62 HG SER 62 -17.523 10.486 -7.280 463 H ASN 63 H ASN 63 -16.126 14.147 -11.306 464 HA ASN 63 HA ASN 63 -17.490 12.426 -13.222 465 HB2 ASN 63 HB2 ASN 63 -18.542 14.644 -12.079 466 HB3 ASN 63 HB3 ASN 63 -17.645 15.455 -13.329 467 HD21 ASN 63 HD22 ASN 63 -20.330 15.795 -13.374 468 HD22 ASN 63 HD21 ASN 63 -21.017 14.886 -14.712 469 H THR 64 H THR 64 -15.354 15.217 -12.910 470 HA THR 64 HA THR 64 -13.969 15.231 -15.274 471 HB THR 64 HB THR 64 -13.831 16.790 -13.436 472 HG1 THR 64 HG1 THR 64 -12.211 16.983 -14.910 473 HG21 THR 64 HG21 THR 64 -11.873 14.987 -12.031 474 HG22 THR 64 HG22 THR 64 -12.627 16.499 -11.491 475 HG23 THR 64 HG23 THR 64 -13.622 15.027 -11.649 476 H VAL 65 H VAL 65 -13.345 13.304 -12.522 477 HA VAL 65 HA VAL 65 -11.248 11.629 -13.095 478 HB VAL 65 HB VAL 65 -13.812 10.771 -11.683 479 HG11 VAL 65 HG11 VAL 65 -10.873 10.618 -10.830 480 HG12 VAL 65 HG12 VAL 65 -12.231 9.829 -10.015 481 HG13 VAL 65 HG13 VAL 65 -11.721 9.256 -11.620 482 HG21 VAL 65 HG21 VAL 65 -13.040 11.924 -9.641 483 HG22 VAL 65 HG22 VAL 65 -11.974 12.907 -10.676 484 HG23 VAL 65 HG23 VAL 65 -13.758 12.899 -10.910 485 H LYS 66 H LYS 66 -14.447 11.496 -14.405 486 HA LYS 66 HA LYS 66 -14.052 9.006 -15.911 487 HB2 LYS 66 HB2 LYS 66 -16.417 10.291 -14.477 488 HB3 LYS 66 HB3 LYS 66 -16.715 9.219 -15.836 489 HG2 LYS 66 HG2 LYS 66 -17.011 7.860 -14.017 490 HG3 LYS 66 HG3 LYS 66 -15.406 7.409 -14.592 491 HD2 LYS 66 HD2 LYS 66 -14.347 8.571 -12.753 492 HD3 LYS 66 HD3 LYS 66 -15.862 9.408 -12.336 493 HE2 LYS 66 HE2 LYS 66 -16.888 7.165 -11.831 494 HE3 LYS 66 HE3 LYS 66 -15.305 6.421 -12.090 495 HZ1 LYS 66 HZ1 LYS 66 -15.714 6.885 -9.738 496 HZ2 LYS 66 HZ2 LYS 66 -14.451 7.779 -10.246 497 HZ3 LYS 66 HZ3 LYS 66 -15.921 8.476 -10.023 498 H VAL 67 H VAL 67 -13.794 12.159 -16.330 499 HA VAL 67 HA VAL 67 -14.781 12.255 -19.079 500 HB VAL 67 HB VAL 67 -14.080 14.222 -16.958 501 HG11 VAL 67 HG11 VAL 67 -12.886 15.165 -18.762 502 HG12 VAL 67 HG12 VAL 67 -14.296 14.969 -19.854 503 HG13 VAL 67 HG13 VAL 67 -14.353 16.093 -18.439 504 HG21 VAL 67 HG21 VAL 67 -16.327 13.186 -17.278 505 HG22 VAL 67 HG22 VAL 67 -16.292 14.970 -17.293 506 HG23 VAL 67 HG23 VAL 67 -16.427 14.026 -18.829 507 H PHE 68 H PHE 68 -11.872 12.346 -17.071 508 HA PHE 68 HA PHE 68 -10.067 12.464 -19.291 509 HB2 PHE 68 HB2 PHE 68 -9.843 11.601 -16.418 510 HB3 PHE 68 HB3 PHE 68 -8.453 11.756 -17.541 511 HD1 PHE 68 HD1 PHE 68 -8.744 14.271 -18.894 512 HD2 PHE 68 HD2 PHE 68 -9.679 13.283 -14.798 513 HE1 PHE 68 HE1 PHE 68 -8.476 16.652 -18.253 514 HE2 PHE 68 HE2 PHE 68 -9.434 15.662 -14.167 515 HZ PHE 68 HZ PHE 68 -8.819 17.355 -15.890 516 H LYS 69 H LYS 69 -11.937 10.806 -19.771 517 HA LYS 69 HA LYS 69 -11.168 8.045 -20.239 518 HB2 LYS 69 HB2 LYS 69 -12.344 7.989 -17.990 519 HB3 LYS 69 HB3 LYS 69 -13.561 9.044 -18.601 520 HG2 LYS 69 HG2 LYS 69 -13.317 6.508 -20.138 521 HG3 LYS 69 HG3 LYS 69 -13.804 6.325 -18.451 522 HD2 LYS 69 HD2 LYS 69 -15.763 7.685 -18.719 523 HD3 LYS 69 HD3 LYS 69 -15.217 8.340 -20.246 524 HE2 LYS 69 HE2 LYS 69 -16.885 6.751 -20.798 525 HE3 LYS 69 HE3 LYS 69 -15.328 6.056 -21.269 526 HZ1 LYS 69 HZ1 LYS 69 -15.396 4.718 -19.221 527 HZ2 LYS 69 HZ2 LYS 69 -16.827 5.381 -18.785 528 HZ3 LYS 69 HZ3 LYS 69 -16.732 4.438 -20.110 529 H ASP 70 H ASP 70 -13.778 10.481 -20.458 530 HA ASP 70 HA ASP 70 -14.520 9.895 -23.144 531 HB2 ASP 70 HB2 ASP 70 -15.915 11.151 -21.463 532 HB3 ASP 70 HB3 ASP 70 -14.787 12.497 -21.650 533 H ILE 71 H ILE 71 -12.014 11.892 -21.740 534 HA ILE 71 HA ILE 71 -11.092 13.055 -24.053 535 HB ILE 71 HB ILE 71 -10.358 13.192 -21.491 536 HG12 ILE 71 HG12 ILE 71 -9.670 14.747 -23.334 537 HG13 ILE 71 HG13 ILE 71 -8.567 14.595 -21.974 538 HG21 ILE 71 HG21 ILE 71 -8.125 11.389 -22.450 539 HG22 ILE 71 HG22 ILE 71 -8.218 12.262 -20.913 540 HG23 ILE 71 HG23 ILE 71 -9.379 10.974 -21.285 541 HD11 ILE 71 HD11 ILE 71 -7.051 13.184 -23.266 542 HD12 ILE 71 HD12 ILE 71 -8.170 13.190 -24.645 543 HD13 ILE 71 HD13 ILE 71 -7.376 14.692 -24.135 544 H ASP 72 H ASP 72 -10.369 9.837 -22.788 545 HA ASP 72 HA ASP 72 -8.676 9.084 -24.944 546 HB2 ASP 72 HB2 ASP 72 -8.522 8.132 -22.736 547 HB3 ASP 72 HB3 ASP 72 -10.144 7.468 -22.880 548 H ALA 73 H ALA 73 -12.161 8.647 -24.402 549 HA ALA 73 HA ALA 73 -12.702 7.262 -26.821 550 HB1 ALA 73 HB1 ALA 73 -14.440 9.322 -25.355 551 HB2 ALA 73 HB2 ALA 73 -15.004 8.109 -26.518 552 HB3 ALA 73 HB3 ALA 73 -14.337 7.595 -24.955 553 H ALA 74 H ALA 74 -12.117 10.761 -26.219 554 HA ALA 74 HA ALA 74 -12.533 11.542 -28.920 555 HB1 ALA 74 HB1 ALA 74 -12.620 13.098 -26.978 556 HB2 ALA 74 HB2 ALA 74 -10.858 12.964 -26.824 557 HB3 ALA 74 HB3 ALA 74 -11.560 13.649 -28.290 558 H ILE 75 H ILE 75 -9.588 10.494 -27.165 559 HA ILE 75 HA ILE 75 -7.732 10.755 -29.264 560 HB ILE 75 HB ILE 75 -7.784 8.669 -27.058 561 HG12 ILE 75 HG12 ILE 75 -6.099 11.180 -27.313 562 HG13 ILE 75 HG13 ILE 75 -7.604 11.161 -26.475 563 HG21 ILE 75 HG21 ILE 75 -5.522 9.380 -28.971 564 HG22 ILE 75 HG22 ILE 75 -5.364 8.345 -27.534 565 HG23 ILE 75 HG23 ILE 75 -6.367 7.818 -28.870 566 HD11 ILE 75 HD11 ILE 75 -5.037 9.698 -25.746 567 HD12 ILE 75 HD12 ILE 75 -5.864 10.975 -24.845 568 HD13 ILE 75 HD13 ILE 75 -6.578 9.355 -24.938 569 H LEU 76 H LEU 76 -9.924 8.061 -28.495 570 HA LEU 76 HA LEU 76 -9.443 6.289 -30.658 571 HB2 LEU 76 HB2 LEU 76 -11.587 6.891 -28.675 572 HB3 LEU 76 HB3 LEU 76 -12.179 6.155 -30.141 573 HG LEU 76 HG LEU 76 -10.816 4.223 -29.818 574 HD11 LEU 76 HD11 LEU 76 -9.718 5.479 -27.278 575 HD12 LEU 76 HD12 LEU 76 -9.431 3.822 -27.836 576 HD13 LEU 76 HD13 LEU 76 -8.785 5.184 -28.760 577 HD21 LEU 76 HD21 LEU 76 -11.830 3.330 -27.788 578 HD22 LEU 76 HD22 LEU 76 -12.170 4.975 -27.209 579 HD23 LEU 76 HD23 LEU 76 -12.987 4.349 -28.659 580 H GLU 77 H GLU 77 -11.916 8.933 -30.542 581 HA GLU 77 HA GLU 77 -12.599 8.750 -33.276 582 HB2 GLU 77 HB2 GLU 77 -12.956 10.919 -31.219 583 HB3 GLU 77 HB3 GLU 77 -13.545 11.085 -32.873 584 HG2 GLU 77 HG2 GLU 77 -14.313 8.811 -30.988 585 HG3 GLU 77 HG3 GLU 77 -15.261 10.253 -31.303 586 H HIS 78 H HIS 78 -9.854 10.348 -31.816 587 HA HIS 78 HA HIS 78 -9.308 12.251 -33.866 588 HB2 HIS 78 HB2 HIS 78 -8.474 12.212 -31.451 589 HB3 HIS 78 HB3 HIS 78 -7.288 11.021 -31.953 590 HD1 HIS 78 HD1 HIS 78 -8.267 14.706 -32.663 591 HD2 HIS 78 HD2 HIS 78 -5.076 11.987 -33.042 592 HE1 HIS 78 HE1 HIS 78 -6.248 16.075 -33.405 593 H HIS 79 H HIS 79 -9.220 8.940 -34.289 594 HA HIS 79 HA HIS 79 -6.915 8.537 -35.907 595 HB2 HIS 79 HB2 HIS 79 -8.185 6.670 -36.868 596 HB3 HIS 79 HB3 HIS 79 -8.208 6.700 -35.109 597 HD1 HIS 79 HD1 HIS 79 -10.820 8.997 -36.557 598 HD2 HIS 79 HD2 HIS 79 -10.347 4.965 -35.467 599 HE1 HIS 79 HE1 HIS 79 -13.179 8.030 -36.359 600 H HIS 80 H HIS 80 -6.382 9.025 -37.959 601 HA HIS 80 HA HIS 80 -8.275 10.245 -39.880 602 HB2 HIS 80 HB2 HIS 80 -5.908 11.687 -38.604 603 HB3 HIS 80 HB3 HIS 80 -6.537 12.144 -40.177 604 HD1 HIS 80 HD1 HIS 80 -7.459 12.431 -36.493 605 HD2 HIS 80 HD2 HIS 80 -8.923 13.367 -40.326 606 HE1 HIS 80 HE1 HIS 80 -9.336 14.125 -36.147 607 H HIS 81 H HIS 81 -7.289 10.556 -42.009 608 HA HIS 81 HA HIS 81 -5.538 8.485 -42.929 609 HB2 HIS 81 HB2 HIS 81 -7.234 9.634 -44.307 610 HB3 HIS 81 HB3 HIS 81 -6.338 11.147 -44.177 611 HD1 HIS 81 HD1 HIS 81 -4.660 11.555 -46.139 612 HD2 HIS 81 HD2 HIS 81 -5.738 7.526 -45.569 613 HE1 HIS 81 HE1 HIS 81 -3.568 10.250 -48.038 614 H HIS 82 H HIS 82 -4.886 11.760 -41.773 615 HA HIS 82 HA HIS 82 -2.002 11.193 -41.585 616 HB2 HIS 82 HB2 HIS 82 -2.492 12.306 -43.839 617 HB3 HIS 82 HB3 HIS 82 -3.035 13.720 -42.946 618 HD1 HIS 82 HD1 HIS 82 -0.884 14.766 -41.228 619 HD2 HIS 82 HD2 HIS 82 -0.019 12.248 -44.506 620 HE1 HIS 82 HE1 HIS 82 1.548 15.178 -41.833 621 H HIS 83 H HIS 83 -1.117 12.171 -39.781 622 HA HIS 83 HA HIS 83 -2.832 13.364 -37.783 623 HB2 HIS 83 HB2 HIS 83 -0.748 13.571 -36.480 624 HB3 HIS 83 HB3 HIS 83 -1.031 11.950 -37.100 625 HD1 HIS 83 HD1 HIS 83 0.613 14.654 -39.254 626 HD2 HIS 83 HD2 HIS 83 1.527 11.190 -37.066 627 HE1 HIS 83 HE1 HIS 83 3.054 14.057 -39.837 Start of MODEL 20 1 H1 MET 1 H1 MET 1 15.489 17.851 -4.686 2 H2 MET 1 H2 MET 1 15.711 18.516 -3.210 3 H3 MET 1 H3 MET 1 16.985 17.871 -4.017 4 HA MET 1 HA MET 1 16.007 15.663 -3.883 5 HB2 MET 1 HB2 MET 1 16.504 17.141 -1.265 6 HB3 MET 1 HB3 MET 1 16.109 15.424 -1.319 7 HG2 MET 1 HG2 MET 1 18.469 15.615 -1.185 8 HG3 MET 1 HG3 MET 1 18.044 14.975 -2.766 9 HE1 MET 1 HE1 MET 1 20.489 15.333 -3.623 10 HE2 MET 1 HE2 MET 1 21.383 16.863 -3.481 11 HE3 MET 1 HE3 MET 1 20.949 15.950 -2.019 12 H ALA 2 H ALA 2 14.364 14.281 -3.126 13 HA ALA 2 HA ALA 2 11.854 15.360 -1.954 14 HB1 ALA 2 HB1 ALA 2 11.953 13.869 -4.657 15 HB2 ALA 2 HB2 ALA 2 10.509 14.418 -3.848 16 HB3 ALA 2 HB3 ALA 2 11.627 15.631 -4.531 17 H THR 3 H THR 3 10.351 13.912 -1.457 18 HA THR 3 HA THR 3 11.262 11.213 -0.723 19 HB THR 3 HB THR 3 8.925 10.998 -0.017 20 HG1 THR 3 HG1 THR 3 7.709 12.940 0.182 21 HG21 THR 3 HG21 THR 3 10.493 13.410 1.030 22 HG22 THR 3 HG22 THR 3 9.221 12.551 1.960 23 HG23 THR 3 HG23 THR 3 10.721 11.703 1.515 24 HA PRO 4 HA PRO 4 10.259 9.381 -4.266 25 HB2 PRO 4 HB2 PRO 4 8.687 7.245 -2.873 26 HB3 PRO 4 HB3 PRO 4 10.066 7.100 -4.032 27 HG2 PRO 4 HG2 PRO 4 10.488 6.844 -1.320 28 HG3 PRO 4 HG3 PRO 4 11.639 7.769 -2.358 29 HD2 PRO 4 HD2 PRO 4 9.558 8.884 -0.536 30 HD3 PRO 4 HD3 PRO 4 11.237 9.318 -0.876 31 H TRP 5 H TRP 5 7.504 10.616 -2.786 32 HA TRP 5 HA TRP 5 6.069 10.474 -5.379 33 HB2 TRP 5 HB2 TRP 5 5.211 9.015 -3.200 34 HB3 TRP 5 HB3 TRP 5 4.298 10.495 -3.019 35 HD1 TRP 5 HD1 TRP 5 4.938 9.193 -6.577 36 HE1 TRP 5 HE1 TRP 5 2.782 8.247 -7.560 37 HE3 TRP 5 HE3 TRP 5 2.036 9.209 -2.346 38 HZ2 TRP 5 HZ2 TRP 5 0.118 7.621 -6.665 39 HZ3 TRP 5 HZ3 TRP 5 -0.312 8.401 -2.446 40 HH2 TRP 5 HH2 TRP 5 -1.284 7.615 -4.594 41 H SER 6 H SER 6 7.116 12.604 -2.851 42 HA SER 6 HA SER 6 5.378 14.783 -3.419 43 HB2 SER 6 HB2 SER 6 6.961 14.737 -1.560 44 HB3 SER 6 HB3 SER 6 8.327 14.828 -2.691 45 HG SER 6 HG SER 6 7.704 16.875 -1.774 46 H GLY 7 H GLY 7 8.004 13.467 -5.352 47 HA2 GLY 7 HA2 GLY 7 8.225 15.652 -7.239 48 HA3 GLY 7 HA3 GLY 7 8.828 14.009 -7.437 49 H TYR 8 H TYR 8 5.504 13.734 -6.842 50 HA TYR 8 HA TYR 8 4.628 14.157 -9.591 51 HB2 TYR 8 HB2 TYR 8 5.645 11.917 -9.645 52 HB3 TYR 8 HB3 TYR 8 4.719 11.431 -8.240 53 HD1 TYR 8 HD1 TYR 8 4.480 12.322 -11.851 54 HD2 TYR 8 HD2 TYR 8 2.426 10.683 -8.426 55 HE1 TYR 8 HE1 TYR 8 2.651 11.511 -13.334 56 HE2 TYR 8 HE2 TYR 8 0.601 9.866 -9.914 57 HH TYR 8 HH TYR 8 0.651 10.402 -13.459 58 H LEU 9 H LEU 9 3.667 12.684 -6.506 59 HA LEU 9 HA LEU 9 0.863 12.848 -6.765 60 HB2 LEU 9 HB2 LEU 9 2.050 11.431 -5.229 61 HB3 LEU 9 HB3 LEU 9 2.749 12.794 -4.380 62 HG LEU 9 HG LEU 9 1.022 11.574 -3.163 63 HD11 LEU 9 HD11 LEU 9 0.081 13.419 -2.082 64 HD12 LEU 9 HD12 LEU 9 1.699 13.876 -2.650 65 HD13 LEU 9 HD13 LEU 9 0.243 14.474 -3.485 66 HD21 LEU 9 HD21 LEU 9 -0.525 11.081 -4.994 67 HD22 LEU 9 HD22 LEU 9 -1.336 11.872 -3.634 68 HD23 LEU 9 HD23 LEU 9 -0.960 12.797 -5.109 69 H ASP 10 H ASP 10 3.172 15.260 -5.615 70 HA ASP 10 HA ASP 10 1.295 17.005 -4.416 71 HB2 ASP 10 HB2 ASP 10 3.800 16.856 -4.042 72 HB3 ASP 10 HB3 ASP 10 4.026 17.706 -5.572 73 H ASP 11 H ASP 11 1.370 16.345 -7.647 74 HA ASP 11 HA ASP 11 -0.044 18.898 -8.299 75 HB2 ASP 11 HB2 ASP 11 2.217 18.661 -9.406 76 HB3 ASP 11 HB3 ASP 11 1.626 17.206 -10.206 77 H VAL 12 H VAL 12 -0.544 15.761 -7.628 78 HA VAL 12 HA VAL 12 -2.850 15.369 -9.419 79 HB VAL 12 HB VAL 12 -1.008 13.473 -7.908 80 HG11 VAL 12 HG11 VAL 12 -3.585 12.723 -9.319 81 HG12 VAL 12 HG12 VAL 12 -2.314 11.576 -8.828 82 HG13 VAL 12 HG13 VAL 12 -3.174 12.498 -7.592 83 HG21 VAL 12 HG21 VAL 12 -1.646 13.734 -10.868 84 HG22 VAL 12 HG22 VAL 12 -0.160 14.273 -10.047 85 HG23 VAL 12 HG23 VAL 12 -0.539 12.549 -10.135 86 H SER 13 H SER 13 -1.773 15.085 -6.042 87 HA SER 13 HA SER 13 -4.476 14.864 -5.035 88 HB2 SER 13 HB2 SER 13 -2.636 13.775 -3.913 89 HB3 SER 13 HB3 SER 13 -1.822 15.339 -3.650 90 HG SER 13 HG SER 13 -3.027 14.622 -1.799 91 H ALA 14 H ALA 14 -1.920 17.367 -5.163 92 HA ALA 14 HA ALA 14 -3.415 19.350 -3.909 93 HB1 ALA 14 HB1 ALA 14 -1.226 19.824 -5.920 94 HB2 ALA 14 HB2 ALA 14 -1.809 20.937 -4.657 95 HB3 ALA 14 HB3 ALA 14 -0.989 19.435 -4.186 96 H LYS 15 H LYS 15 -3.589 18.233 -7.192 97 HA LYS 15 HA LYS 15 -4.943 20.195 -8.636 98 HB2 LYS 15 HB2 LYS 15 -4.211 18.083 -9.572 99 HB3 LYS 15 HB3 LYS 15 -5.283 17.193 -8.485 100 HG2 LYS 15 HG2 LYS 15 -7.261 17.989 -9.636 101 HG3 LYS 15 HG3 LYS 15 -6.264 19.059 -10.653 102 HD2 LYS 15 HD2 LYS 15 -6.875 17.101 -11.931 103 HD3 LYS 15 HD3 LYS 15 -5.133 17.050 -11.611 104 HE2 LYS 15 HE2 LYS 15 -5.525 15.473 -9.732 105 HE3 LYS 15 HE3 LYS 15 -7.266 15.551 -10.018 106 HZ1 LYS 15 HZ1 LYS 15 -6.879 14.585 -12.228 107 HZ2 LYS 15 HZ2 LYS 15 -5.268 14.511 -11.963 108 HZ3 LYS 15 HZ3 LYS 15 -6.287 13.594 -11.074 109 H PHE 16 H PHE 16 -6.300 17.810 -6.386 110 HA PHE 16 HA PHE 16 -8.928 18.920 -6.314 111 HB2 PHE 16 HB2 PHE 16 -9.205 16.871 -5.509 112 HB3 PHE 16 HB3 PHE 16 -7.515 16.672 -5.107 113 HD1 PHE 16 HD1 PHE 16 -10.695 18.211 -3.840 114 HD2 PHE 16 HD2 PHE 16 -6.779 16.696 -2.844 115 HE1 PHE 16 HE1 PHE 16 -11.192 18.481 -1.419 116 HE2 PHE 16 HE2 PHE 16 -7.299 16.934 -0.432 117 HZ PHE 16 HZ PHE 16 -9.505 17.836 0.287 118 H ASP 17 H ASP 17 -6.157 19.116 -4.024 119 HA ASP 17 HA ASP 17 -7.489 20.611 -2.151 120 HB2 ASP 17 HB2 ASP 17 -5.299 19.379 -1.902 121 HB3 ASP 17 HB3 ASP 17 -4.503 20.755 -2.675 122 H THR 18 H THR 18 -5.985 22.008 -5.010 123 HA THR 18 HA THR 18 -6.513 24.695 -4.006 124 HB THR 18 HB THR 18 -4.406 24.047 -5.219 125 HG1 THR 18 HG1 THR 18 -4.867 26.178 -4.877 126 HG21 THR 18 HG21 THR 18 -4.380 24.163 -7.625 127 HG22 THR 18 HG22 THR 18 -5.535 22.898 -7.157 128 HG23 THR 18 HG23 THR 18 -6.127 24.490 -7.686 129 H GLY 19 H GLY 19 -7.891 22.459 -6.387 130 HA2 GLY 19 HA2 GLY 19 -9.715 24.352 -7.614 131 HA3 GLY 19 HA3 GLY 19 -9.852 22.593 -7.646 132 H VAL 20 H VAL 20 -10.063 21.961 -4.938 133 HA VAL 20 HA VAL 20 -12.680 22.676 -4.155 134 HB VAL 20 HB VAL 20 -10.947 20.791 -3.300 135 HG11 VAL 20 HG11 VAL 20 -10.231 21.001 -1.056 136 HG12 VAL 20 HG12 VAL 20 -9.442 22.208 -2.067 137 HG13 VAL 20 HG13 VAL 20 -10.766 22.689 -0.973 138 HG21 VAL 20 HG21 VAL 20 -13.457 20.984 -2.860 139 HG22 VAL 20 HG22 VAL 20 -12.574 20.363 -1.462 140 HG23 VAL 20 HG23 VAL 20 -13.096 22.067 -1.526 141 H ASP 21 H ASP 21 -9.586 24.089 -3.271 142 HA ASP 21 HA ASP 21 -10.724 25.860 -1.424 143 HB2 ASP 21 HB2 ASP 21 -8.501 25.274 -1.151 144 HB3 ASP 21 HB3 ASP 21 -8.103 25.677 -2.802 145 H ASN 22 H ASN 22 -10.538 26.234 -4.921 146 HA ASN 22 HA ASN 22 -11.205 29.034 -4.824 147 HB2 ASN 22 HB2 ASN 22 -11.722 26.809 -6.882 148 HB3 ASN 22 HB3 ASN 22 -12.310 28.437 -7.107 149 HD21 ASN 22 HD22 ASN 22 -9.066 26.850 -6.472 150 HD22 ASN 22 HD21 ASN 22 -8.244 28.016 -7.491 151 H LEU 23 H LEU 23 -13.024 26.059 -4.405 152 HA LEU 23 HA LEU 23 -15.530 27.471 -4.375 153 HB2 LEU 23 HB2 LEU 23 -14.898 24.828 -4.923 154 HB3 LEU 23 HB3 LEU 23 -15.639 24.741 -3.346 155 HG LEU 23 HG LEU 23 -17.273 24.573 -5.107 156 HD11 LEU 23 HD11 LEU 23 -17.784 26.021 -3.007 157 HD12 LEU 23 HD12 LEU 23 -17.720 27.395 -4.108 158 HD13 LEU 23 HD13 LEU 23 -18.874 26.077 -4.377 159 HD21 LEU 23 HD21 LEU 23 -16.590 27.208 -6.299 160 HD22 LEU 23 HD22 LEU 23 -16.626 25.575 -7.031 161 HD23 LEU 23 HD23 LEU 23 -18.149 26.359 -6.504 162 H GLN 24 H GLN 24 -13.419 25.954 -1.995 163 HA GLN 24 HA GLN 24 -14.729 26.559 0.365 164 HB2 GLN 24 HB2 GLN 24 -12.520 25.235 -0.084 165 HB3 GLN 24 HB3 GLN 24 -11.748 26.837 0.088 166 HG2 GLN 24 HG2 GLN 24 -11.560 25.757 2.120 167 HG3 GLN 24 HG3 GLN 24 -12.719 27.095 2.286 168 HE21 GLN 24 HE22 GLN 24 -14.404 26.552 3.651 169 HE22 GLN 24 HE21 GLN 24 -15.129 24.952 3.722 170 H THR 25 H THR 25 -12.334 28.655 -1.374 171 HA THR 25 HA THR 25 -12.359 30.802 0.418 172 HB THR 25 HB THR 25 -10.800 30.354 -1.471 173 HG1 THR 25 HG1 THR 25 -10.378 32.556 -1.714 174 HG21 THR 25 HG21 THR 25 -11.084 31.253 -3.633 175 HG22 THR 25 HG22 THR 25 -12.383 30.126 -3.294 176 HG23 THR 25 HG23 THR 25 -12.707 31.879 -3.249 177 H GLN 26 H GLN 26 -14.336 30.217 -2.414 178 HA GLN 26 HA GLN 26 -16.118 32.383 -2.176 179 HB2 GLN 26 HB2 GLN 26 -15.894 29.827 -3.680 180 HB3 GLN 26 HB3 GLN 26 -17.536 30.151 -3.262 181 HG2 GLN 26 HG2 GLN 26 -17.483 32.344 -4.318 182 HG3 GLN 26 HG3 GLN 26 -15.736 32.194 -4.623 183 HE21 GLN 26 HE22 GLN 26 -15.185 29.980 -5.912 184 HE22 GLN 26 HE21 GLN 26 -16.247 29.750 -7.300 185 H VAL 27 H VAL 27 -16.691 29.054 -0.837 186 HA VAL 27 HA VAL 27 -19.092 29.836 0.376 187 HB VAL 27 HB VAL 27 -19.235 27.924 1.508 188 HG11 VAL 27 HG11 VAL 27 -17.131 26.766 -0.295 189 HG12 VAL 27 HG12 VAL 27 -18.742 26.171 0.091 190 HG13 VAL 27 HG13 VAL 27 -18.556 27.539 -1.037 191 HG21 VAL 27 HG21 VAL 27 -17.551 26.369 2.274 192 HG22 VAL 27 HG22 VAL 27 -16.275 27.506 1.797 193 HG23 VAL 27 HG23 VAL 27 -17.438 27.931 3.072 194 H THR 28 H THR 28 -15.740 29.952 1.529 195 HA THR 28 HA THR 28 -16.307 30.717 4.182 196 HB THR 28 HB THR 28 -13.864 31.486 2.617 197 HG1 THR 28 HG1 THR 28 -14.084 29.245 2.567 198 HG21 THR 28 HG21 THR 28 -14.558 31.282 5.528 199 HG22 THR 28 HG22 THR 28 -12.848 31.197 4.952 200 HG23 THR 28 HG23 THR 28 -13.850 32.644 4.609 201 H GLU 29 H GLU 29 -16.000 32.627 1.178 202 HA GLU 29 HA GLU 29 -16.030 35.048 2.653 203 HB2 GLU 29 HB2 GLU 29 -16.402 34.471 -0.241 204 HB3 GLU 29 HB3 GLU 29 -16.512 36.075 0.454 205 HG2 GLU 29 HG2 GLU 29 -14.322 35.885 1.506 206 HG3 GLU 29 HG3 GLU 29 -14.050 34.342 0.761 207 H ALA 30 H ALA 30 -18.614 32.977 1.245 208 HA ALA 30 HA ALA 30 -20.836 34.687 1.886 209 HB1 ALA 30 HB1 ALA 30 -20.513 31.637 1.685 210 HB2 ALA 30 HB2 ALA 30 -22.037 32.440 2.026 211 HB3 ALA 30 HB3 ALA 30 -21.205 32.718 0.473 212 H LEU 31 H LEU 31 -19.021 32.258 3.690 213 HA LEU 31 HA LEU 31 -20.257 32.601 6.191 214 HB2 LEU 31 HB2 LEU 31 -18.762 30.711 5.391 215 HB3 LEU 31 HB3 LEU 31 -17.419 31.824 5.580 216 HG LEU 31 HG LEU 31 -18.196 32.096 8.045 217 HD11 LEU 31 HD11 LEU 31 -19.483 30.332 8.948 218 HD12 LEU 31 HD12 LEU 31 -20.419 30.900 7.543 219 HD13 LEU 31 HD13 LEU 31 -19.453 29.423 7.406 220 HD21 LEU 31 HD21 LEU 31 -16.152 31.115 7.282 221 HD22 LEU 31 HD22 LEU 31 -16.855 30.178 8.619 222 HD23 LEU 31 HD23 LEU 31 -16.970 29.581 6.902 223 H ASP 32 H ASP 32 -17.495 34.420 4.714 224 HA ASP 32 HA ASP 32 -16.808 35.901 6.979 225 HB2 ASP 32 HB2 ASP 32 -15.430 35.966 5.000 226 HB3 ASP 32 HB3 ASP 32 -16.714 36.568 3.986 227 H LYS 33 H LYS 33 -19.557 36.268 4.764 228 HA LYS 33 HA LYS 33 -20.669 38.552 6.068 229 HB2 LYS 33 HB2 LYS 33 -22.362 36.690 4.584 230 HB3 LYS 33 HB3 LYS 33 -22.385 38.459 4.797 231 HG2 LYS 33 HG2 LYS 33 -20.931 36.666 2.901 232 HG3 LYS 33 HG3 LYS 33 -21.961 38.007 2.515 233 HD2 LYS 33 HD2 LYS 33 -20.136 39.539 3.446 234 HD3 LYS 33 HD3 LYS 33 -19.067 38.104 3.472 235 HE2 LYS 33 HE2 LYS 33 -19.457 37.676 1.128 236 HE3 LYS 33 HE3 LYS 33 -20.461 39.134 1.007 237 HZ1 LYS 33 HZ1 LYS 33 -18.133 39.549 0.330 238 HZ2 LYS 33 HZ2 LYS 33 -18.515 40.451 1.637 239 HZ3 LYS 33 HZ3 LYS 33 -17.596 39.115 1.816 240 H LEU 34 H LEU 34 -21.159 35.027 6.292 241 HA LEU 34 HA LEU 34 -23.365 35.257 8.000 242 HB2 LEU 34 HB2 LEU 34 -22.309 33.399 6.488 243 HB3 LEU 34 HB3 LEU 34 -21.740 32.712 8.024 244 HG LEU 34 HG LEU 34 -24.645 33.477 7.597 245 HD11 LEU 34 HD11 LEU 34 -23.329 30.934 6.647 246 HD12 LEU 34 HD12 LEU 34 -25.088 31.272 6.557 247 HD13 LEU 34 HD13 LEU 34 -23.933 32.285 5.679 248 HD21 LEU 34 HD21 LEU 34 -25.286 31.598 8.779 249 HD22 LEU 34 HD22 LEU 34 -23.633 30.898 8.857 250 HD23 LEU 34 HD23 LEU 34 -23.999 32.341 9.773 251 H ALA 35 H ALA 35 -19.975 34.737 8.740 252 HA ALA 35 HA ALA 35 -20.090 34.626 11.541 253 HB1 ALA 35 HB1 ALA 35 -18.175 33.991 10.126 254 HB2 ALA 35 HB2 ALA 35 -17.963 35.673 9.602 255 HB3 ALA 35 HB3 ALA 35 -17.689 35.233 11.310 256 H ALA 36 H ALA 36 -20.733 37.293 9.346 257 HA ALA 36 HA ALA 36 -20.622 39.409 11.358 258 HB1 ALA 36 HB1 ALA 36 -20.037 39.680 8.840 259 HB2 ALA 36 HB2 ALA 36 -21.769 39.644 8.512 260 HB3 ALA 36 HB3 ALA 36 -21.116 40.899 9.558 261 H LYS 37 H LYS 37 -23.283 38.091 9.337 262 HA LYS 37 HA LYS 37 -25.238 38.589 11.561 263 HB2 LYS 37 HB2 LYS 37 -25.180 40.416 9.685 264 HB3 LYS 37 HB3 LYS 37 -25.989 39.161 8.754 265 HG2 LYS 37 HG2 LYS 37 -26.856 40.556 11.299 266 HG3 LYS 37 HG3 LYS 37 -27.610 40.617 9.695 267 HD2 LYS 37 HD2 LYS 37 -28.098 38.077 10.096 268 HD3 LYS 37 HD3 LYS 37 -27.741 38.437 11.803 269 HE2 LYS 37 HE2 LYS 37 -29.316 40.372 11.608 270 HE3 LYS 37 HE3 LYS 37 -29.729 39.855 9.982 271 HZ1 LYS 37 HZ1 LYS 37 -30.624 37.767 10.908 272 HZ2 LYS 37 HZ2 LYS 37 -30.201 38.211 12.428 273 HZ3 LYS 37 HZ3 LYS 37 -31.356 39.031 11.627 274 HA PRO 38 HA PRO 38 -25.009 34.576 9.659 275 HB2 PRO 38 HB2 PRO 38 -25.466 33.007 12.085 276 HB3 PRO 38 HB3 PRO 38 -23.909 33.507 11.370 277 HG2 PRO 38 HG2 PRO 38 -25.394 34.771 13.625 278 HG3 PRO 38 HG3 PRO 38 -23.615 34.746 13.288 279 HD2 PRO 38 HD2 PRO 38 -25.296 36.889 12.895 280 HD3 PRO 38 HD3 PRO 38 -23.744 36.660 12.069 281 H SER 39 H SER 39 -28.035 35.273 11.414 282 HA SER 39 HA SER 39 -29.197 33.785 9.226 283 HB2 SER 39 HB2 SER 39 -30.993 33.237 10.599 284 HB3 SER 39 HB3 SER 39 -29.397 32.673 11.126 285 HG SER 39 HG SER 39 -30.701 33.486 12.923 286 H ASP 40 H ASP 40 -28.307 35.978 8.644 287 HA ASP 40 HA ASP 40 -30.682 37.572 7.888 288 HB2 ASP 40 HB2 ASP 40 -28.669 39.028 8.192 289 HB3 ASP 40 HB3 ASP 40 -27.723 37.918 7.276 290 HA PRO 41 HA PRO 41 -30.133 33.462 6.059 291 HB2 PRO 41 HB2 PRO 41 -32.624 33.170 4.915 292 HB3 PRO 41 HB3 PRO 41 -32.213 32.908 6.666 293 HG2 PRO 41 HG2 PRO 41 -33.362 35.377 5.218 294 HG3 PRO 41 HG3 PRO 41 -34.019 34.607 6.714 295 HD2 PRO 41 HD2 PRO 41 -32.434 36.754 6.853 296 HD3 PRO 41 HD3 PRO 41 -32.289 35.392 8.008 297 H ALA 42 H ALA 42 -30.656 36.485 4.445 298 HA ALA 42 HA ALA 42 -30.622 35.568 1.725 299 HB1 ALA 42 HB1 ALA 42 -30.632 37.958 1.280 300 HB2 ALA 42 HB2 ALA 42 -31.811 37.509 2.556 301 HB3 ALA 42 HB3 ALA 42 -30.279 38.291 3.003 302 H LEU 43 H LEU 43 -28.087 37.302 3.837 303 HA LEU 43 HA LEU 43 -25.898 36.515 2.083 304 HB2 LEU 43 HB2 LEU 43 -24.452 37.189 3.832 305 HB3 LEU 43 HB3 LEU 43 -25.758 38.364 3.838 306 HG LEU 43 HG LEU 43 -26.662 36.818 5.784 307 HD11 LEU 43 HD11 LEU 43 -24.648 35.079 5.433 308 HD12 LEU 43 HD12 LEU 43 -23.754 36.358 6.125 309 HD13 LEU 43 HD13 LEU 43 -25.129 35.674 7.055 310 HD21 LEU 43 HD21 LEU 43 -24.980 37.797 7.435 311 HD22 LEU 43 HD22 LEU 43 -24.239 38.564 6.009 312 HD23 LEU 43 HD23 LEU 43 -25.956 38.944 6.465 313 H LEU 44 H LEU 44 -27.467 35.070 4.938 314 HA LEU 44 HA LEU 44 -25.701 32.756 5.071 315 HB2 LEU 44 HB2 LEU 44 -26.498 32.921 7.073 316 HB3 LEU 44 HB3 LEU 44 -28.026 33.522 6.686 317 HG LEU 44 HG LEU 44 -27.054 30.813 5.867 318 HD11 LEU 44 HD11 LEU 44 -29.035 31.137 7.975 319 HD12 LEU 44 HD12 LEU 44 -28.448 29.625 7.025 320 HD13 LEU 44 HD13 LEU 44 -27.324 30.490 8.168 321 HD21 LEU 44 HD21 LEU 44 -29.916 31.269 6.194 322 HD22 LEU 44 HD22 LEU 44 -29.036 32.252 5.080 323 HD23 LEU 44 HD23 LEU 44 -28.787 30.513 4.881 324 H ALA 45 H ALA 45 -28.817 33.083 3.147 325 HA ALA 45 HA ALA 45 -28.361 30.378 2.709 326 HB1 ALA 45 HB1 ALA 45 -30.157 30.344 1.093 327 HB2 ALA 45 HB2 ALA 45 -30.531 31.079 2.648 328 HB3 ALA 45 HB3 ALA 45 -30.293 32.126 1.196 329 H ALA 46 H ALA 46 -27.051 33.221 1.132 330 HA ALA 46 HA ALA 46 -26.070 32.053 -1.262 331 HB1 ALA 46 HB1 ALA 46 -26.053 34.464 -0.876 332 HB2 ALA 46 HB2 ALA 46 -24.910 34.298 0.468 333 HB3 ALA 46 HB3 ALA 46 -24.422 33.830 -1.195 334 H TYR 47 H TYR 47 -24.917 32.044 2.155 335 HA TYR 47 HA TYR 47 -22.610 30.404 1.749 336 HB2 TYR 47 HB2 TYR 47 -23.353 31.658 3.909 337 HB3 TYR 47 HB3 TYR 47 -24.395 30.398 4.188 338 HD1 TYR 47 HD1 TYR 47 -20.767 30.310 3.285 339 HD2 TYR 47 HD2 TYR 47 -23.987 28.727 5.629 340 HE1 TYR 47 HE1 TYR 47 -19.221 28.629 4.267 341 HE2 TYR 47 HE2 TYR 47 -22.454 27.064 6.637 342 HH TYR 47 HH TYR 47 -20.311 26.227 6.686 343 H GLN 48 H GLN 48 -25.910 29.661 2.812 344 HA GLN 48 HA GLN 48 -25.721 26.946 2.878 345 HB2 GLN 48 HB2 GLN 48 -28.264 28.390 2.237 346 HB3 GLN 48 HB3 GLN 48 -28.065 26.762 2.853 347 HG2 GLN 48 HG2 GLN 48 -27.296 29.164 4.347 348 HG3 GLN 48 HG3 GLN 48 -28.792 28.274 4.500 349 HE21 GLN 48 HE21 GLN 48 -28.581 25.840 5.068 350 HE22 GLN 48 HE22 GLN 48 -27.299 25.454 6.204 351 H SER 49 H SER 49 -26.079 28.979 0.069 352 HA SER 49 HA SER 49 -26.433 26.932 -1.871 353 HB2 SER 49 HB2 SER 49 -25.550 29.909 -2.091 354 HB3 SER 49 HB3 SER 49 -25.765 28.865 -3.484 355 HG SER 49 HG SER 49 -27.718 29.589 -1.544 356 H LYS 50 H LYS 50 -23.598 29.004 -1.020 357 HA LYS 50 HA LYS 50 -21.836 27.728 -2.819 358 HB2 LYS 50 HB2 LYS 50 -21.320 29.450 -0.302 359 HB3 LYS 50 HB3 LYS 50 -20.089 28.944 -1.442 360 HG2 LYS 50 HG2 LYS 50 -22.412 30.152 -2.843 361 HG3 LYS 50 HG3 LYS 50 -21.641 31.224 -1.688 362 HD2 LYS 50 HD2 LYS 50 -20.693 31.538 -3.818 363 HD3 LYS 50 HD3 LYS 50 -19.501 30.872 -2.663 364 HE2 LYS 50 HE2 LYS 50 -18.987 29.276 -4.146 365 HE3 LYS 50 HE3 LYS 50 -20.567 28.611 -3.866 366 HZ1 LYS 50 HZ1 LYS 50 -19.784 30.562 -5.991 367 HZ2 LYS 50 HZ2 LYS 50 -20.271 29.037 -6.243 368 HZ3 LYS 50 HZ3 LYS 50 -21.354 30.150 -5.722 369 H LEU 51 H LEU 51 -22.621 26.976 0.450 370 HA LEU 51 HA LEU 51 -20.897 24.865 1.187 371 HB2 LEU 51 HB2 LEU 51 -22.412 26.123 2.622 372 HB3 LEU 51 HB3 LEU 51 -23.756 25.855 1.604 373 HG LEU 51 HG LEU 51 -22.555 23.643 3.284 374 HD11 LEU 51 HD11 LEU 51 -24.974 25.380 3.853 375 HD12 LEU 51 HD12 LEU 51 -24.203 24.214 4.940 376 HD13 LEU 51 HD13 LEU 51 -23.382 25.739 4.528 377 HD21 LEU 51 HD21 LEU 51 -24.938 22.766 3.082 378 HD22 LEU 51 HD22 LEU 51 -25.258 24.043 1.893 379 HD23 LEU 51 HD23 LEU 51 -24.071 22.762 1.544 380 H SER 52 H SER 52 -23.947 24.811 -0.707 381 HA SER 52 HA SER 52 -23.668 22.045 -1.381 382 HB2 SER 52 HB2 SER 52 -25.366 24.189 -2.679 383 HB3 SER 52 HB3 SER 52 -25.442 22.448 -2.988 384 HG SER 52 HG SER 52 -27.016 23.162 -1.431 385 H GLU 53 H GLU 53 -22.903 25.092 -3.147 386 HA GLU 53 HA GLU 53 -22.164 23.958 -5.585 387 HB2 GLU 53 HB2 GLU 53 -20.963 26.329 -4.239 388 HB3 GLU 53 HB3 GLU 53 -20.633 25.755 -5.888 389 HG2 GLU 53 HG2 GLU 53 -23.071 27.156 -4.914 390 HG3 GLU 53 HG3 GLU 53 -21.755 27.630 -6.024 391 H TYR 54 H TYR 54 -20.310 24.332 -2.596 392 HA TYR 54 HA TYR 54 -17.829 23.400 -3.625 393 HB2 TYR 54 HB2 TYR 54 -17.328 24.489 -1.722 394 HB3 TYR 54 HB3 TYR 54 -18.895 24.287 -1.077 395 HD1 TYR 54 HD1 TYR 54 -15.688 22.566 -1.769 396 HD2 TYR 54 HD2 TYR 54 -19.204 22.750 0.720 397 HE1 TYR 54 HE1 TYR 54 -14.754 20.821 -0.348 398 HE2 TYR 54 HE2 TYR 54 -18.309 21.010 2.167 399 HH TYR 54 HH TYR 54 -16.526 19.496 2.519 400 H ASN 55 H ASN 55 -20.588 21.677 -2.117 401 HA ASN 55 HA ASN 55 -19.330 19.152 -2.359 402 HB2 ASN 55 HB2 ASN 55 -21.726 20.007 -1.225 403 HB3 ASN 55 HB3 ASN 55 -22.227 19.072 -2.648 404 HD21 ASN 55 HD22 ASN 55 -20.834 16.958 -2.970 405 HD22 ASN 55 HD21 ASN 55 -20.747 15.988 -1.500 406 H LEU 56 H LEU 56 -21.138 21.169 -4.685 407 HA LEU 56 HA LEU 56 -21.261 19.263 -6.832 408 HB2 LEU 56 HB2 LEU 56 -21.568 22.211 -6.495 409 HB3 LEU 56 HB3 LEU 56 -21.220 21.675 -8.095 410 HG LEU 56 HG LEU 56 -23.243 20.506 -8.316 411 HD11 LEU 56 HD11 LEU 56 -24.951 20.254 -6.594 412 HD12 LEU 56 HD12 LEU 56 -23.473 19.427 -6.088 413 HD13 LEU 56 HD13 LEU 56 -23.896 21.003 -5.386 414 HD21 LEU 56 HD21 LEU 56 -23.723 23.091 -6.761 415 HD22 LEU 56 HD22 LEU 56 -23.272 22.988 -8.460 416 HD23 LEU 56 HD23 LEU 56 -24.842 22.342 -7.929 417 H TYR 57 H TYR 57 -18.795 21.734 -5.898 418 HA TYR 57 HA TYR 57 -16.966 21.211 -7.953 419 HB2 TYR 57 HB2 TYR 57 -16.312 22.985 -6.729 420 HB3 TYR 57 HB3 TYR 57 -16.607 22.236 -5.183 421 HD1 TYR 57 HD1 TYR 57 -14.241 22.494 -8.022 422 HD2 TYR 57 HD2 TYR 57 -15.112 20.469 -4.322 423 HE1 TYR 57 HE1 TYR 57 -12.121 21.208 -8.226 424 HE2 TYR 57 HE2 TYR 57 -13.067 19.101 -4.573 425 HH TYR 57 HH TYR 57 -10.875 19.504 -7.402 426 H ARG 58 H ARG 58 -17.530 19.549 -4.899 427 HA ARG 58 HA ARG 58 -15.761 17.367 -5.118 428 HB2 ARG 58 HB2 ARG 58 -17.758 18.400 -3.369 429 HB3 ARG 58 HB3 ARG 58 -18.295 16.784 -3.674 430 HG2 ARG 58 HG2 ARG 58 -17.046 16.716 -1.704 431 HG3 ARG 58 HG3 ARG 58 -15.896 16.086 -2.907 432 HD2 ARG 58 HD2 ARG 58 -14.852 18.339 -3.056 433 HD3 ARG 58 HD3 ARG 58 -16.083 19.004 -2.000 434 HE ARG 58 HE ARG 58 -15.035 18.202 -0.139 435 HH11 ARG 58 HH21 ARG 58 -13.419 16.592 -2.867 436 HH12 ARG 58 HH22 ARG 58 -12.275 15.856 -1.793 437 HH21 ARG 58 HH11 ARG 58 -13.501 17.241 1.085 438 HH22 ARG 58 HH12 ARG 58 -12.308 16.206 0.357 439 H ASN 59 H ASN 59 -19.125 17.677 -6.163 440 HA ASN 59 HA ASN 59 -19.484 15.045 -7.096 441 HB2 ASN 59 HB2 ASN 59 -21.310 16.825 -6.659 442 HB3 ASN 59 HB3 ASN 59 -20.863 17.522 -8.208 443 HD21 ASN 59 HD22 ASN 59 -22.196 16.859 -9.863 444 HD22 ASN 59 HD21 ASN 59 -22.953 15.277 -9.926 445 H ALA 60 H ALA 60 -18.466 17.988 -8.794 446 HA ALA 60 HA ALA 60 -17.958 16.876 -11.345 447 HB1 ALA 60 HB1 ALA 60 -16.727 18.973 -11.696 448 HB2 ALA 60 HB2 ALA 60 -18.236 19.301 -10.797 449 HB3 ALA 60 HB3 ALA 60 -16.687 19.273 -9.945 450 H GLN 61 H GLN 61 -15.851 17.289 -8.490 451 HA GLN 61 HA GLN 61 -13.695 15.729 -9.503 452 HB2 GLN 61 HB2 GLN 61 -13.535 17.540 -7.938 453 HB3 GLN 61 HB3 GLN 61 -14.336 16.529 -6.711 454 HG2 GLN 61 HG2 GLN 61 -12.156 14.958 -7.705 455 HG3 GLN 61 HG3 GLN 61 -11.496 16.574 -7.622 456 HE21 GLN 61 HE22 GLN 61 -10.622 14.357 -6.007 457 HE22 GLN 61 HE21 GLN 61 -10.980 14.767 -4.340 458 H SER 62 H SER 62 -16.410 14.589 -9.380 459 HA SER 62 HA SER 62 -15.534 11.874 -8.939 460 HB2 SER 62 HB2 SER 62 -16.822 12.683 -6.891 461 HB3 SER 62 HB3 SER 62 -18.241 12.795 -7.946 462 HG SER 62 HG SER 62 -18.030 10.757 -6.778 463 H ASN 63 H ASN 63 -16.088 13.873 -11.099 464 HA ASN 63 HA ASN 63 -17.622 12.141 -12.866 465 HB2 ASN 63 HB2 ASN 63 -18.547 14.527 -12.089 466 HB3 ASN 63 HB3 ASN 63 -17.435 15.150 -13.274 467 HD21 ASN 63 HD22 ASN 63 -20.029 15.741 -13.691 468 HD22 ASN 63 HD21 ASN 63 -20.657 14.780 -15.021 469 H THR 64 H THR 64 -15.234 14.745 -12.789 470 HA THR 64 HA THR 64 -13.716 14.280 -15.031 471 HB THR 64 HB THR 64 -13.514 16.087 -13.511 472 HG1 THR 64 HG1 THR 64 -11.307 16.311 -13.586 473 HG21 THR 64 HG21 THR 64 -13.660 14.630 -11.398 474 HG22 THR 64 HG22 THR 64 -11.893 14.450 -11.565 475 HG23 THR 64 HG23 THR 64 -12.614 16.065 -11.378 476 H VAL 65 H VAL 65 -13.331 12.769 -11.978 477 HA VAL 65 HA VAL 65 -11.382 10.850 -12.209 478 HB VAL 65 HB VAL 65 -14.075 10.395 -10.866 479 HG11 VAL 65 HG11 VAL 65 -12.685 9.573 -8.982 480 HG12 VAL 65 HG12 VAL 65 -12.152 8.749 -10.464 481 HG13 VAL 65 HG13 VAL 65 -11.216 10.122 -9.805 482 HG21 VAL 65 HG21 VAL 65 -13.332 11.766 -8.934 483 HG22 VAL 65 HG22 VAL 65 -12.118 12.510 -10.001 484 HG23 VAL 65 HG23 VAL 65 -13.872 12.635 -10.360 485 H LYS 66 H LYS 66 -14.550 10.785 -13.609 486 HA LYS 66 HA LYS 66 -14.367 8.055 -14.652 487 HB2 LYS 66 HB2 LYS 66 -16.618 9.833 -13.690 488 HB3 LYS 66 HB3 LYS 66 -16.947 8.393 -14.648 489 HG2 LYS 66 HG2 LYS 66 -16.595 6.971 -12.903 490 HG3 LYS 66 HG3 LYS 66 -15.163 7.837 -12.335 491 HD2 LYS 66 HD2 LYS 66 -16.550 9.567 -11.322 492 HD3 LYS 66 HD3 LYS 66 -18.031 8.752 -11.879 493 HE2 LYS 66 HE2 LYS 66 -17.390 6.765 -10.494 494 HE3 LYS 66 HE3 LYS 66 -15.968 7.645 -9.916 495 HZ1 LYS 66 HZ1 LYS 66 -17.494 9.324 -8.953 496 HZ2 LYS 66 HZ2 LYS 66 -18.787 8.495 -9.495 497 HZ3 LYS 66 HZ3 LYS 66 -17.822 7.842 -8.354 498 H VAL 67 H VAL 67 -13.694 10.998 -15.623 499 HA VAL 67 HA VAL 67 -14.595 10.738 -18.384 500 HB VAL 67 HB VAL 67 -13.838 12.986 -16.567 501 HG11 VAL 67 HG11 VAL 67 -12.490 13.519 -18.417 502 HG12 VAL 67 HG12 VAL 67 -13.832 13.199 -19.560 503 HG13 VAL 67 HG13 VAL 67 -13.903 14.579 -18.384 504 HG21 VAL 67 HG21 VAL 67 -16.109 12.647 -18.507 505 HG22 VAL 67 HG22 VAL 67 -16.128 12.025 -16.854 506 HG23 VAL 67 HG23 VAL 67 -15.973 13.785 -17.107 507 H PHE 68 H PHE 68 -11.721 11.093 -16.305 508 HA PHE 68 HA PHE 68 -9.827 10.753 -18.412 509 HB2 PHE 68 HB2 PHE 68 -9.903 10.057 -15.447 510 HB3 PHE 68 HB3 PHE 68 -8.459 9.794 -16.465 511 HD1 PHE 68 HD2 PHE 68 -7.829 12.014 -17.956 512 HD2 PHE 68 HD1 PHE 68 -9.850 11.994 -14.147 513 HE1 PHE 68 HE2 PHE 68 -7.177 14.380 -17.592 514 HE2 PHE 68 HE1 PHE 68 -9.260 14.375 -13.817 515 HZ PHE 68 HZ PHE 68 -7.897 15.571 -15.529 516 H LYS 69 H LYS 69 -12.087 8.601 -16.813 517 HA LYS 69 HA LYS 69 -11.311 6.092 -17.906 518 HB2 LYS 69 HB2 LYS 69 -12.871 6.243 -16.067 519 HB3 LYS 69 HB3 LYS 69 -13.869 7.398 -16.915 520 HG2 LYS 69 HG2 LYS 69 -13.663 4.702 -18.186 521 HG3 LYS 69 HG3 LYS 69 -14.524 4.802 -16.650 522 HD2 LYS 69 HD2 LYS 69 -16.105 6.405 -17.463 523 HD3 LYS 69 HD3 LYS 69 -15.192 6.709 -18.939 524 HE2 LYS 69 HE2 LYS 69 -15.512 4.375 -19.665 525 HE3 LYS 69 HE3 LYS 69 -16.402 4.015 -18.181 526 HZ1 LYS 69 HZ1 LYS 69 -17.923 4.494 -20.016 527 HZ2 LYS 69 HZ2 LYS 69 -18.089 5.640 -18.869 528 HZ3 LYS 69 HZ3 LYS 69 -17.275 5.973 -20.249 529 H ASP 70 H ASP 70 -13.167 8.791 -19.271 530 HA ASP 70 HA ASP 70 -13.729 7.462 -21.757 531 HB2 ASP 70 HB2 ASP 70 -15.198 9.231 -20.750 532 HB3 ASP 70 HB3 ASP 70 -13.949 10.400 -21.182 533 H ILE 71 H ILE 71 -11.250 9.705 -20.602 534 HA ILE 71 HA ILE 71 -9.976 9.871 -23.105 535 HB ILE 71 HB ILE 71 -9.604 11.113 -20.683 536 HG12 ILE 71 HG12 ILE 71 -9.095 11.882 -23.043 537 HG13 ILE 71 HG13 ILE 71 -8.021 12.480 -21.781 538 HG21 ILE 71 HG21 ILE 71 -8.142 9.648 -19.496 539 HG22 ILE 71 HG22 ILE 71 -7.141 9.334 -20.908 540 HG23 ILE 71 HG23 ILE 71 -7.146 10.920 -20.118 541 HD11 ILE 71 HD11 ILE 71 -7.357 10.010 -23.409 542 HD12 ILE 71 HD12 ILE 71 -6.851 11.657 -23.886 543 HD13 ILE 71 HD13 ILE 71 -6.291 10.937 -22.357 544 H ASP 72 H ASP 72 -9.486 7.581 -20.461 545 HA ASP 72 HA ASP 72 -7.710 5.868 -21.815 546 HB2 ASP 72 HB2 ASP 72 -8.022 5.854 -19.452 547 HB3 ASP 72 HB3 ASP 72 -9.729 5.548 -19.652 548 H ALA 73 H ALA 73 -11.294 5.897 -21.911 549 HA ALA 73 HA ALA 73 -11.581 3.658 -23.598 550 HB1 ALA 73 HB1 ALA 73 -13.759 4.583 -24.188 551 HB2 ALA 73 HB2 ALA 73 -13.461 4.818 -22.456 552 HB3 ALA 73 HB3 ALA 73 -13.297 6.181 -23.586 553 H ALA 74 H ALA 74 -10.601 7.012 -24.435 554 HA ALA 74 HA ALA 74 -10.498 6.572 -27.249 555 HB1 ALA 74 HB1 ALA 74 -10.544 8.816 -26.021 556 HB2 ALA 74 HB2 ALA 74 -8.825 8.553 -25.674 557 HB3 ALA 74 HB3 ALA 74 -9.369 8.669 -27.350 558 H ILE 75 H ILE 75 -8.157 5.986 -24.633 559 HA ILE 75 HA ILE 75 -6.001 5.162 -26.278 560 HB ILE 75 HB ILE 75 -6.560 4.233 -23.443 561 HG12 ILE 75 HG12 ILE 75 -4.726 6.456 -24.417 562 HG13 ILE 75 HG13 ILE 75 -6.332 6.731 -23.848 563 HG21 ILE 75 HG21 ILE 75 -4.954 2.737 -24.560 564 HG22 ILE 75 HG22 ILE 75 -3.997 4.137 -25.092 565 HG23 ILE 75 HG23 ILE 75 -4.133 3.727 -23.369 566 HD11 ILE 75 HD11 ILE 75 -4.871 7.205 -22.021 567 HD12 ILE 75 HD12 ILE 75 -5.581 5.628 -21.622 568 HD13 ILE 75 HD13 ILE 75 -3.933 5.726 -22.272 569 H LEU 76 H LEU 76 -8.722 3.358 -24.822 570 HA LEU 76 HA LEU 76 -8.250 0.748 -25.888 571 HB2 LEU 76 HB2 LEU 76 -10.555 2.325 -24.822 572 HB3 LEU 76 HB3 LEU 76 -10.984 0.984 -25.848 573 HG LEU 76 HG LEU 76 -9.859 -0.576 -24.403 574 HD11 LEU 76 HD11 LEU 76 -8.003 0.807 -23.508 575 HD12 LEU 76 HD12 LEU 76 -9.182 1.742 -22.560 576 HD13 LEU 76 HD13 LEU 76 -8.927 0.021 -22.222 577 HD21 LEU 76 HD21 LEU 76 -12.196 0.041 -23.929 578 HD22 LEU 76 HD22 LEU 76 -11.328 -0.403 -22.450 579 HD23 LEU 76 HD23 LEU 76 -11.636 1.309 -22.815 580 H GLU 77 H GLU 77 -10.026 3.518 -27.331 581 HA GLU 77 HA GLU 77 -10.426 2.357 -29.874 582 HB2 GLU 77 HB2 GLU 77 -11.589 4.326 -28.783 583 HB3 GLU 77 HB3 GLU 77 -10.188 5.305 -29.181 584 HG2 GLU 77 HG2 GLU 77 -12.029 5.655 -30.728 585 HG3 GLU 77 HG3 GLU 77 -10.612 5.050 -31.551 586 H HIS 78 H HIS 78 -7.486 2.981 -28.505 587 HA HIS 78 HA HIS 78 -6.058 3.365 -31.089 588 HB2 HIS 78 HB2 HIS 78 -6.056 5.184 -29.082 589 HB3 HIS 78 HB3 HIS 78 -4.811 4.130 -28.462 590 HD1 HIS 78 HD1 HIS 78 -2.890 3.544 -30.638 591 HD2 HIS 78 HD2 HIS 78 -5.139 7.097 -30.574 592 HE1 HIS 78 HE1 HIS 78 -1.641 5.210 -32.139 593 H HIS 79 H HIS 79 -6.905 0.886 -29.340 594 HA HIS 79 HA HIS 79 -4.731 -0.289 -28.087 595 HB2 HIS 79 HB2 HIS 79 -7.056 -0.950 -27.833 596 HB3 HIS 79 HB3 HIS 79 -7.113 -1.550 -29.491 597 HD1 HIS 79 HD1 HIS 79 -6.786 -4.126 -29.622 598 HD2 HIS 79 HD2 HIS 79 -5.080 -2.332 -26.215 599 HE1 HIS 79 HE1 HIS 79 -5.859 -6.030 -28.201 600 H HIS 80 H HIS 80 -5.066 -0.092 -31.552 601 HA HIS 80 HA HIS 80 -3.705 -2.374 -32.451 602 HB2 HIS 80 HB2 HIS 80 -3.580 0.449 -33.578 603 HB3 HIS 80 HB3 HIS 80 -3.163 -1.028 -34.444 604 HD1 HIS 80 HD1 HIS 80 -5.480 -2.877 -34.414 605 HD2 HIS 80 HD2 HIS 80 -5.963 1.299 -34.149 606 HE1 HIS 80 HE1 HIS 80 -7.886 -2.392 -35.097 607 H HIS 81 H HIS 81 -1.652 -3.046 -32.587 608 HA HIS 81 HA HIS 81 0.580 -1.322 -31.576 609 HB2 HIS 81 HB2 HIS 81 -0.540 -2.727 -29.818 610 HB3 HIS 81 HB3 HIS 81 -0.087 -4.168 -30.724 611 HD1 HIS 81 HD1 HIS 81 2.159 -5.199 -29.875 612 HD2 HIS 81 HD2 HIS 81 1.746 -1.078 -29.122 613 HE1 HIS 81 HE1 HIS 81 4.208 -4.513 -28.523 614 H HIS 82 H HIS 82 -0.380 -3.290 -34.140 615 HA HIS 82 HA HIS 82 2.350 -3.475 -35.191 616 HB2 HIS 82 HB2 HIS 82 1.983 -5.581 -33.830 617 HB3 HIS 82 HB3 HIS 82 0.630 -5.977 -34.884 618 HD1 HIS 82 HD1 HIS 82 1.328 -6.717 -37.463 619 HD2 HIS 82 HD2 HIS 82 4.476 -5.902 -34.777 620 HE1 HIS 82 HE1 HIS 82 3.435 -7.691 -38.512 621 H HIS 83 H HIS 83 2.359 -4.134 -37.443 622 HA HIS 83 HA HIS 83 0.429 -3.012 -39.200 623 HB2 HIS 83 HB2 HIS 83 2.407 -5.246 -39.790 624 HB3 HIS 83 HB3 HIS 83 1.717 -4.100 -40.934 625 HD1 HIS 83 HD1 HIS 83 4.723 -4.563 -38.807 626 HD2 HIS 83 HD2 HIS 83 2.496 -1.372 -40.409 627 HE1 HIS 83 HE1 HIS 83 6.231 -2.509 -38.682
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