NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598486 | 2n0m | 18636 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 15.571 12.933 -4.334 2 H2 ALA 1 HT2 ALA 1 17.239 13.092 -4.123 3 H3 ALA 1 HT3 ALA 1 16.257 14.468 -4.156 4 HA ALA 1 HA ALA 1 16.947 13.914 -1.909 5 HB1 ALA 1 HB1 ALA 1 14.739 13.994 -0.885 6 HB2 ALA 1 HB2 ALA 1 14.001 13.499 -2.408 7 HB3 ALA 1 HB3 ALA 1 14.813 15.060 -2.287 8 H THR 2 HN THR 2 17.831 12.257 -0.877 9 HA THR 2 HA THR 2 16.421 9.681 -0.872 10 HB THR 2 HB THR 2 19.383 9.991 -1.394 11 HG1 THR 2 HG1 THR 2 18.652 10.266 -3.369 12 HG21 THR 2 HG21 THR 2 18.867 7.962 -0.134 13 HG22 THR 2 HG22 THR 2 19.324 7.562 -1.791 14 HG23 THR 2 HG23 THR 2 17.627 7.534 -1.312 15 H ALA 3 HN ALA 3 18.817 11.806 0.601 16 HA ALA 3 HA ALA 3 18.948 10.081 2.966 17 HB1 ALA 3 HB1 ALA 3 20.541 12.557 2.296 18 HB2 ALA 3 HB2 ALA 3 21.063 10.894 2.021 19 HB3 ALA 3 HB3 ALA 3 20.816 11.481 3.666 20 H GLY 4 HN GLY 4 16.645 11.911 2.132 21 HA2 GLY 4 HA2 GLY 4 16.301 13.086 4.792 22 HA3 GLY 4 HA1 GLY 4 16.148 14.149 3.402 23 H ASN 5 HN ASN 5 15.068 10.797 3.836 24 HA ASN 5 HA ASN 5 12.325 11.542 4.060 25 HB2 ASN 5 HB2 ASN 5 11.617 10.436 1.899 26 HB3 ASN 5 HB1 ASN 5 12.408 11.996 1.734 27 HD21 ASN 5 HD21 ASN 5 12.560 8.635 1.020 28 HD22 ASN 5 HD22 ASN 5 13.985 8.691 0.042 29 H CYS 6 HN CYS 6 12.292 10.216 5.812 30 HA CYS 6 HA CYS 6 12.701 7.347 5.324 31 HB2 CYS 6 HB2 CYS 6 12.465 8.894 7.915 32 HB3 CYS 6 HB1 CYS 6 12.629 7.141 7.811 33 H ALA 7 HN ALA 7 10.353 9.505 5.051 34 HA ALA 7 HA ALA 7 8.277 7.520 5.440 35 HB1 ALA 7 HB1 ALA 7 8.334 8.685 7.592 36 HB2 ALA 7 HB2 ALA 7 6.840 9.027 6.719 37 HB3 ALA 7 HB3 ALA 7 8.131 10.229 6.765 38 H ALA 8 HN ALA 8 6.332 8.041 4.330 39 HA ALA 8 HA ALA 8 6.405 10.356 2.542 40 HB1 ALA 8 HB1 ALA 8 7.385 8.509 1.263 41 HB2 ALA 8 HB2 ALA 8 5.822 8.992 0.601 42 HB3 ALA 8 HB3 ALA 8 5.953 7.532 1.578 43 H THR 9 HN THR 9 4.301 10.858 1.644 44 HA THR 9 HA THR 9 2.081 9.622 3.121 45 HB THR 9 HB THR 9 2.436 12.572 2.549 46 HG1 THR 9 HG1 THR 9 3.586 11.536 4.396 47 HG21 THR 9 HG21 THR 9 0.092 11.872 2.324 48 HG22 THR 9 HG22 THR 9 0.329 12.882 3.751 49 HG23 THR 9 HG23 THR 9 0.162 11.134 3.924 50 H VAL 10 HN VAL 10 0.572 8.833 1.863 51 HA VAL 10 HA VAL 10 0.404 9.769 -0.927 52 HB VAL 10 HB VAL 10 -0.388 7.084 0.223 53 HG11 VAL 10 HG11 VAL 10 -1.828 7.722 -1.631 54 HG12 VAL 10 HG12 VAL 10 -0.748 6.412 -2.108 55 HG13 VAL 10 HG13 VAL 10 -0.416 8.063 -2.629 56 HG21 VAL 10 HG21 VAL 10 1.905 7.822 -1.593 57 HG22 VAL 10 HG22 VAL 10 1.481 6.193 -1.068 58 HG23 VAL 10 HG23 VAL 10 2.036 7.382 0.110 59 H GLU 11 HN GLU 11 -1.527 10.480 -1.686 60 HA GLU 11 HA GLU 11 -3.735 10.563 0.261 61 HB2 GLU 11 HB2 GLU 11 -3.158 12.449 -2.026 62 HB3 GLU 11 HB1 GLU 11 -4.514 12.572 -0.920 63 HG2 GLU 11 HG2 GLU 11 -3.034 13.012 0.926 64 HG3 GLU 11 HG1 GLU 11 -1.623 12.752 -0.103 65 H SER 12 HN SER 12 -5.529 9.522 -0.221 66 HA SER 12 HA SER 12 -6.053 8.848 -3.034 67 HB2 SER 12 HB2 SER 12 -7.148 6.753 -2.149 68 HB3 SER 12 HB1 SER 12 -5.405 6.814 -1.908 69 HG SER 12 HG SER 12 -6.301 6.178 0.012 70 H ASN 13 HN ASN 13 -8.137 9.158 -3.758 71 HA ASN 13 HA ASN 13 -10.030 10.253 -1.785 72 HB2 ASN 13 HB2 ASN 13 -10.849 11.803 -3.548 73 HB3 ASN 13 HB1 ASN 13 -9.172 12.099 -3.114 74 HD21 ASN 13 HD21 ASN 13 -8.797 13.152 -5.060 75 HD22 ASN 13 HD22 ASN 13 -8.637 12.291 -6.556 76 H ASP 14 HN ASP 14 -12.325 10.384 -3.001 77 HA ASP 14 HA ASP 14 -12.831 7.613 -3.741 78 HB2 ASP 14 HB2 ASP 14 -15.303 8.483 -3.581 79 HB3 ASP 14 HB1 ASP 14 -14.382 8.136 -2.125 80 H ASN 15 HN ASN 15 -11.610 9.616 -5.525 81 HA ASN 15 HA ASN 15 -13.492 9.377 -7.770 82 HB2 ASN 15 HB2 ASN 15 -12.372 11.629 -7.204 83 HB3 ASN 15 HB1 ASN 15 -10.880 10.899 -7.789 84 HD21 ASN 15 HD21 ASN 15 -14.074 11.983 -8.664 85 HD22 ASN 15 HD22 ASN 15 -13.782 12.083 -10.367 86 H MET 16 HN MET 16 -11.429 7.592 -6.247 87 HA MET 16 HA MET 16 -10.320 5.685 -6.671 88 HB2 MET 16 HB2 MET 16 -11.502 6.032 -9.429 89 HB3 MET 16 HB1 MET 16 -10.598 4.613 -8.930 90 HG2 MET 16 HG2 MET 16 -12.836 4.008 -8.721 91 HG3 MET 16 HG1 MET 16 -12.314 4.354 -7.076 92 HE1 MET 16 HE1 MET 16 -14.439 5.456 -10.124 93 HE2 MET 16 HE2 MET 16 -13.339 6.830 -10.021 94 HE3 MET 16 HE3 MET 16 -15.048 7.039 -9.644 95 H GLN 17 HN GLN 17 -8.500 7.377 -6.375 96 HA GLN 17 HA GLN 17 -6.516 6.750 -8.356 97 HB2 GLN 17 HB2 GLN 17 -5.961 9.010 -8.998 98 HB3 GLN 17 HB1 GLN 17 -7.661 8.729 -9.346 99 HG2 GLN 17 HG2 GLN 17 -8.326 9.963 -7.410 100 HG3 GLN 17 HG1 GLN 17 -6.652 10.121 -6.883 101 HE21 GLN 17 HE21 GLN 17 -5.687 10.626 -9.604 102 HE22 GLN 17 HE22 GLN 17 -6.163 12.246 -9.976 103 H PHE 18 HN PHE 18 -4.409 7.194 -7.705 104 HA PHE 18 HA PHE 18 -4.031 8.112 -4.932 105 HB2 PHE 18 HB2 PHE 18 -2.325 6.402 -6.757 106 HB3 PHE 18 HB1 PHE 18 -1.690 7.112 -5.282 107 HD1 PHE 18 HD2 PHE 18 -3.618 6.680 -3.259 108 HD2 PHE 18 HD1 PHE 18 -2.631 4.164 -6.546 109 HE1 PHE 18 HE2 PHE 18 -4.370 4.717 -1.979 110 HE2 PHE 18 HE1 PHE 18 -3.378 2.197 -5.273 111 HZ PHE 18 HZ PHE 18 -4.248 2.474 -2.985 112 H ASN 19 HN ASN 19 -2.359 9.704 -4.551 113 HA ASN 19 HA ASN 19 -2.096 11.564 -6.743 114 HB2 ASN 19 HB2 ASN 19 -1.135 13.097 -5.164 115 HB3 ASN 19 HB1 ASN 19 -2.514 12.319 -4.395 116 HD21 ASN 19 HD21 ASN 19 -0.105 13.642 -3.283 117 HD22 ASN 19 HD22 ASN 19 0.612 12.470 -2.230 118 H THR 20 HN THR 20 -0.469 8.855 -6.069 119 HA THR 20 HA THR 20 1.742 9.671 -7.707 120 HB THR 20 HB THR 20 2.640 10.275 -5.516 121 HG1 THR 20 HG1 THR 20 4.314 8.314 -5.588 122 HG21 THR 20 HG21 THR 20 2.105 7.400 -4.758 123 HG22 THR 20 HG22 THR 20 1.305 8.825 -4.093 124 HG23 THR 20 HG23 THR 20 3.022 8.557 -3.792 125 H LYS 21 HN LYS 21 2.628 7.960 -8.814 126 HA LYS 21 HA LYS 21 1.402 5.331 -8.282 127 HB2 LYS 21 HB2 LYS 21 0.963 6.693 -10.499 128 HB3 LYS 21 HB1 LYS 21 2.544 6.067 -10.953 129 HG2 LYS 21 HG2 LYS 21 1.719 3.775 -10.574 130 HG3 LYS 21 HG1 LYS 21 0.124 4.434 -10.203 131 HD2 LYS 21 HD2 LYS 21 0.144 5.498 -12.479 132 HD3 LYS 21 HD1 LYS 21 1.613 4.584 -12.819 133 HE2 LYS 21 HE2 LYS 21 -1.111 3.465 -12.171 134 HE3 LYS 21 HE1 LYS 21 -0.286 3.410 -13.727 135 HZ1 LYS 21 HZ1 LYS 21 -0.034 1.313 -12.687 136 HZ2 LYS 21 HZ2 LYS 21 0.486 2.001 -11.237 137 HZ3 LYS 21 HZ3 LYS 21 1.473 2.077 -12.611 138 H ASP 22 HN ASP 22 4.079 6.951 -7.718 139 HA ASP 22 HA ASP 22 5.819 4.603 -7.982 140 HB2 ASP 22 HB2 ASP 22 6.422 5.999 -9.875 141 HB3 ASP 22 HB1 ASP 22 6.528 7.421 -8.842 142 H ILE 23 HN ILE 23 6.700 4.130 -6.080 143 HA ILE 23 HA ILE 23 7.295 6.346 -4.230 144 HB ILE 23 HB ILE 23 6.222 3.609 -3.522 145 HG12 ILE 23 HG12 ILE 23 5.194 6.386 -2.869 146 HG13 ILE 23 HG11 ILE 23 4.570 5.374 -4.169 147 HG21 ILE 23 HG21 ILE 23 8.056 4.206 -2.011 148 HG22 ILE 23 HG22 ILE 23 6.504 4.230 -1.174 149 HG23 ILE 23 HG23 ILE 23 7.269 5.744 -1.658 150 HD11 ILE 23 HD11 ILE 23 3.902 3.695 -2.491 151 HD12 ILE 23 HD12 ILE 23 3.120 5.256 -2.253 152 HD13 ILE 23 HD13 ILE 23 4.466 4.780 -1.220 153 H GLN 24 HN GLN 24 9.357 6.513 -3.816 154 HA GLN 24 HA GLN 24 11.081 4.206 -4.382 155 HB2 GLN 24 HB2 GLN 24 11.711 7.161 -4.411 156 HB3 GLN 24 HB1 GLN 24 12.882 5.877 -4.707 157 HG2 GLN 24 HG2 GLN 24 11.618 5.147 -6.644 158 HG3 GLN 24 HG1 GLN 24 10.410 6.392 -6.339 159 HE21 GLN 24 HE21 GLN 24 10.721 7.299 -8.349 160 HE22 GLN 24 HE22 GLN 24 12.134 8.231 -8.733 161 H VAL 25 HN VAL 25 11.794 3.195 -2.694 162 HA VAL 25 HA VAL 25 11.794 4.534 -0.095 163 HB VAL 25 HB VAL 25 12.137 1.608 -0.782 164 HG11 VAL 25 HG11 VAL 25 13.275 2.203 1.299 165 HG12 VAL 25 HG12 VAL 25 11.855 1.205 1.614 166 HG13 VAL 25 HG13 VAL 25 11.793 2.943 1.901 167 HG21 VAL 25 HG21 VAL 25 9.876 1.358 0.143 168 HG22 VAL 25 HG22 VAL 25 9.896 2.416 -1.269 169 HG23 VAL 25 HG23 VAL 25 9.775 3.107 0.349 170 H SER 26 HN SER 26 13.587 5.186 0.833 171 HA SER 26 HA SER 26 16.103 4.818 -0.512 172 HB2 SER 26 HB2 SER 26 15.508 7.017 0.395 173 HB3 SER 26 HB1 SER 26 15.386 6.331 2.014 174 HG SER 26 HG SER 26 17.437 7.432 1.311 175 H LYS 27 HN LYS 27 17.601 3.375 -0.029 176 HA LYS 27 HA LYS 27 17.262 1.542 2.150 177 HB2 LYS 27 HB2 LYS 27 19.339 0.516 1.366 178 HB3 LYS 27 HB1 LYS 27 18.240 0.808 0.026 179 HG2 LYS 27 HG2 LYS 27 19.514 2.726 -0.667 180 HG3 LYS 27 HG1 LYS 27 20.559 2.585 0.746 181 HD2 LYS 27 HD2 LYS 27 21.659 1.673 -1.222 182 HD3 LYS 27 HD1 LYS 27 21.327 0.396 -0.055 183 HE2 LYS 27 HE2 LYS 27 19.328 -0.236 -1.342 184 HE3 LYS 27 HE1 LYS 27 19.705 1.020 -2.521 185 HZ1 LYS 27 HZ1 LYS 27 21.775 -0.123 -3.016 186 HZ2 LYS 27 HZ2 LYS 27 20.455 -1.148 -3.261 187 HZ3 LYS 27 HZ3 LYS 27 21.415 -1.323 -1.882 188 H ALA 28 HN ALA 28 18.348 4.636 2.055 189 HA ALA 28 HA ALA 28 20.483 4.435 3.981 190 HB1 ALA 28 HB1 ALA 28 20.370 6.878 4.038 191 HB2 ALA 28 HB2 ALA 28 18.896 6.837 3.072 192 HB3 ALA 28 HB3 ALA 28 20.419 6.285 2.380 193 H CYS 29 HN CYS 29 17.222 4.034 4.126 194 HA CYS 29 HA CYS 29 16.959 5.129 6.836 195 HB2 CYS 29 HB2 CYS 29 14.826 4.111 4.944 196 HB3 CYS 29 HB1 CYS 29 14.546 4.897 6.494 197 H LYS 30 HN LYS 30 16.574 3.818 8.552 198 HA LYS 30 HA LYS 30 17.075 1.021 8.344 199 HB2 LYS 30 HB2 LYS 30 15.924 2.640 10.632 200 HB3 LYS 30 HB1 LYS 30 16.445 0.967 10.748 201 HG2 LYS 30 HG2 LYS 30 18.218 3.314 10.099 202 HG3 LYS 30 HG1 LYS 30 18.101 2.505 11.661 203 HD2 LYS 30 HD2 LYS 30 18.740 0.372 10.401 204 HD3 LYS 30 HD1 LYS 30 19.209 1.443 9.080 205 HE2 LYS 30 HE2 LYS 30 20.296 1.488 11.893 206 HE3 LYS 30 HE1 LYS 30 21.131 0.887 10.463 207 HZ1 LYS 30 HZ1 LYS 30 21.861 3.108 11.037 208 HZ2 LYS 30 HZ2 LYS 30 20.281 3.697 10.920 209 HZ3 LYS 30 HZ3 LYS 30 21.074 3.123 9.543 210 H GLU 31 HN GLU 31 14.201 2.968 8.978 211 HA GLU 31 HA GLU 31 12.562 0.832 7.837 212 HB2 GLU 31 HB2 GLU 31 10.842 1.130 9.526 213 HB3 GLU 31 HB1 GLU 31 12.356 0.700 10.303 214 HG2 GLU 31 HG2 GLU 31 11.360 3.525 10.071 215 HG3 GLU 31 HG1 GLU 31 11.001 2.475 11.439 216 H PHE 32 HN PHE 32 10.668 1.593 6.786 217 HA PHE 32 HA PHE 32 10.711 4.497 6.270 218 HB2 PHE 32 HB2 PHE 32 11.522 2.956 4.394 219 HB3 PHE 32 HB1 PHE 32 9.855 2.400 4.277 220 HD1 PHE 32 HD2 PHE 32 12.057 5.337 3.922 221 HD2 PHE 32 HD1 PHE 32 8.219 3.675 3.135 222 HE1 PHE 32 HE2 PHE 32 11.561 7.209 2.407 223 HE2 PHE 32 HE1 PHE 32 7.721 5.544 1.613 224 HZ PHE 32 HZ PHE 32 9.393 7.313 1.249 225 H THR 33 HN THR 33 8.862 5.539 6.633 226 HA THR 33 HA THR 33 6.492 3.933 7.299 227 HB THR 33 HB THR 33 7.060 6.829 7.976 228 HG1 THR 33 HG1 THR 33 8.219 6.036 9.545 229 HG21 THR 33 HG21 THR 33 4.946 4.934 9.009 230 HG22 THR 33 HG22 THR 33 4.670 6.277 7.900 231 HG23 THR 33 HG23 THR 33 5.204 6.592 9.551 232 H ILE 34 HN ILE 34 4.696 4.066 6.102 233 HA ILE 34 HA ILE 34 4.481 6.306 4.204 234 HB ILE 34 HB ILE 34 3.477 3.484 3.804 235 HG12 ILE 34 HG12 ILE 34 5.634 5.067 2.388 236 HG13 ILE 34 HG11 ILE 34 5.897 3.711 3.476 237 HG21 ILE 34 HG21 ILE 34 1.916 5.109 2.887 238 HG22 ILE 34 HG22 ILE 34 2.753 4.261 1.588 239 HG23 ILE 34 HG23 ILE 34 3.228 5.906 2.018 240 HD11 ILE 34 HD11 ILE 34 4.510 3.596 0.810 241 HD12 ILE 34 HD12 ILE 34 4.750 2.235 1.903 242 HD13 ILE 34 HD13 ILE 34 6.141 3.032 1.169 243 H THR 35 HN THR 35 2.865 7.611 4.640 244 HA THR 35 HA THR 35 0.652 6.611 6.291 245 HB THR 35 HB THR 35 1.453 9.491 5.820 246 HG1 THR 35 HG1 THR 35 3.026 9.029 7.162 247 HG21 THR 35 HG21 THR 35 0.060 9.935 7.791 248 HG22 THR 35 HG22 THR 35 -0.353 8.223 7.889 249 HG23 THR 35 HG23 THR 35 -0.881 9.180 6.505 250 H LEU 36 HN LEU 36 -1.283 6.406 5.391 251 HA LEU 36 HA LEU 36 -1.741 7.596 2.744 252 HB2 LEU 36 HB2 LEU 36 -1.918 5.115 2.987 253 HB3 LEU 36 HB1 LEU 36 -3.227 5.356 4.125 254 HG LEU 36 HG LEU 36 -4.487 6.528 2.272 255 HD11 LEU 36 HD11 LEU 36 -2.270 5.358 0.609 256 HD12 LEU 36 HD12 LEU 36 -2.665 7.065 0.801 257 HD13 LEU 36 HD13 LEU 36 -3.788 5.989 -0.027 258 HD21 LEU 36 HD21 LEU 36 -3.756 3.626 1.900 259 HD22 LEU 36 HD22 LEU 36 -5.154 4.426 1.184 260 HD23 LEU 36 HD23 LEU 36 -5.033 4.262 2.936 261 H LYS 37 HN LYS 37 -3.211 9.162 2.516 262 HA LYS 37 HA LYS 37 -5.095 9.613 4.740 263 HB2 LYS 37 HB2 LYS 37 -3.235 11.319 4.576 264 HB3 LYS 37 HB1 LYS 37 -3.861 11.758 2.992 265 HG2 LYS 37 HG2 LYS 37 -4.629 13.344 4.610 266 HG3 LYS 37 HG1 LYS 37 -6.000 12.392 4.046 267 HD2 LYS 37 HD2 LYS 37 -6.027 11.103 6.059 268 HD3 LYS 37 HD1 LYS 37 -4.494 11.797 6.593 269 HE2 LYS 37 HE2 LYS 37 -5.551 13.990 6.781 270 HE3 LYS 37 HE1 LYS 37 -7.077 13.315 6.215 271 HZ1 LYS 37 HZ1 LYS 37 -6.957 13.567 8.644 272 HZ2 LYS 37 HZ2 LYS 37 -5.677 12.456 8.697 273 HZ3 LYS 37 HZ3 LYS 37 -7.214 11.965 8.171 274 H HIS 38 HN HIS 38 -7.100 9.224 4.113 275 HA HIS 38 HA HIS 38 -7.758 9.251 1.275 276 HB2 HIS 38 HB2 HIS 38 -8.469 7.351 2.716 277 HB3 HIS 38 HB1 HIS 38 -9.473 8.454 3.646 278 HD1 HIS 38 HD1 HIS 38 -9.701 9.266 0.107 279 HD2 HIS 38 HD2 HIS 38 -11.489 6.530 2.677 280 HE1 HIS 38 HE1 HIS 38 -11.832 8.546 -1.031 281 HE2 HIS 38 HE2 HIS 38 -12.740 6.703 0.434 282 H THR 39 HN THR 39 -7.836 11.367 0.717 283 HA THR 39 HA THR 39 -9.373 13.270 2.255 284 HB THR 39 HB THR 39 -8.673 14.850 0.409 285 HG1 THR 39 HG1 THR 39 -8.187 13.649 -1.323 286 HG21 THR 39 HG21 THR 39 -6.470 13.326 1.807 287 HG22 THR 39 HG22 THR 39 -7.408 14.646 2.502 288 HG23 THR 39 HG23 THR 39 -6.337 14.952 1.134 289 H GLY 40 HN GLY 40 -11.393 12.096 1.983 290 HA2 GLY 40 HA2 GLY 40 -12.849 13.124 -0.312 291 HA3 GLY 40 HA1 GLY 40 -12.821 11.370 -0.138 292 H THR 41 HN THR 41 -15.168 11.600 0.041 293 HA THR 41 HA THR 41 -15.949 12.356 2.783 294 HB THR 41 HB THR 41 -16.713 14.034 1.084 295 HG1 THR 41 HG1 THR 41 -18.446 12.585 2.760 296 HG21 THR 41 HG21 THR 41 -18.613 13.430 -0.358 297 HG22 THR 41 HG22 THR 41 -18.442 11.745 0.135 298 HG23 THR 41 HG23 THR 41 -17.159 12.530 -0.783 299 H GLN 42 HN GLN 42 -15.558 9.820 0.811 300 HA GLN 42 HA GLN 42 -18.090 8.518 1.445 301 HB2 GLN 42 HB2 GLN 42 -15.861 7.845 -0.451 302 HB3 GLN 42 HB1 GLN 42 -17.104 6.670 -0.038 303 HG2 GLN 42 HG2 GLN 42 -17.562 9.370 -1.297 304 HG3 GLN 42 HG1 GLN 42 -17.637 7.809 -2.116 305 HE21 GLN 42 HE21 GLN 42 -19.375 6.436 -1.708 306 HE22 GLN 42 HE22 GLN 42 -20.837 7.006 -0.978 307 HA PRO 43 HA PRO 43 -16.338 6.363 4.864 308 HB2 PRO 43 HB2 PRO 43 -18.313 4.553 5.220 309 HB3 PRO 43 HB1 PRO 43 -18.511 6.262 5.623 310 HG2 PRO 43 HG2 PRO 43 -19.413 4.775 3.184 311 HG3 PRO 43 HG1 PRO 43 -20.295 5.972 4.157 312 HD2 PRO 43 HD2 PRO 43 -19.067 6.588 1.813 313 HD3 PRO 43 HD1 PRO 43 -19.235 7.753 3.145 314 H LYS 44 HN LYS 44 -15.621 4.224 5.491 315 HA LYS 44 HA LYS 44 -13.992 3.214 3.448 316 HB2 LYS 44 HB2 LYS 44 -13.130 1.671 5.094 317 HB3 LYS 44 HB1 LYS 44 -13.364 3.244 5.836 318 HG2 LYS 44 HG2 LYS 44 -15.460 2.443 6.837 319 HG3 LYS 44 HG1 LYS 44 -15.187 0.860 6.113 320 HD2 LYS 44 HD2 LYS 44 -13.394 2.225 8.119 321 HD3 LYS 44 HD1 LYS 44 -14.504 0.900 8.462 322 HE2 LYS 44 HE2 LYS 44 -13.252 -0.556 6.968 323 HE3 LYS 44 HE1 LYS 44 -12.169 0.771 6.560 324 HZ1 LYS 44 HZ1 LYS 44 -12.469 -0.489 9.230 325 HZ2 LYS 44 HZ2 LYS 44 -11.485 0.845 8.896 326 HZ3 LYS 44 HZ3 LYS 44 -11.143 -0.656 8.185 327 H ALA 45 HN ALA 45 -17.111 2.167 4.522 328 HA ALA 45 HA ALA 45 -16.867 -0.477 3.405 329 HB1 ALA 45 HB1 ALA 45 -19.233 -0.699 3.989 330 HB2 ALA 45 HB2 ALA 45 -19.285 1.011 4.414 331 HB3 ALA 45 HB3 ALA 45 -18.279 -0.100 5.343 332 H SER 46 HN SER 46 -17.655 2.622 2.203 333 HA SER 46 HA SER 46 -19.059 1.474 -0.103 334 HB2 SER 46 HB2 SER 46 -20.203 3.337 1.059 335 HB3 SER 46 HB1 SER 46 -18.818 4.377 0.736 336 HG SER 46 HG SER 46 -20.087 3.058 -1.393 337 H MET 47 HN MET 47 -16.411 3.651 0.772 338 HA MET 47 HA MET 47 -14.988 2.807 -1.631 339 HB2 MET 47 HB2 MET 47 -16.186 4.924 -2.220 340 HB3 MET 47 HB1 MET 47 -15.327 5.730 -0.917 341 HG2 MET 47 HG2 MET 47 -14.198 6.256 -2.935 342 HG3 MET 47 HG1 MET 47 -13.182 5.121 -2.044 343 HE1 MET 47 HE1 MET 47 -15.266 5.816 -5.216 344 HE2 MET 47 HE2 MET 47 -16.352 4.690 -4.402 345 HE3 MET 47 HE3 MET 47 -15.538 4.210 -5.888 346 H GLY 48 HN GLY 48 -13.982 1.652 0.173 347 HA2 GLY 48 HA2 GLY 48 -12.294 3.288 1.904 348 HA3 GLY 48 HA1 GLY 48 -12.540 1.548 2.032 349 H HIS 49 HN HIS 49 -10.050 3.081 1.990 350 HA HIS 49 HA HIS 49 -8.822 1.686 -0.287 351 HB2 HIS 49 HB2 HIS 49 -8.107 4.480 0.644 352 HB3 HIS 49 HB1 HIS 49 -7.221 3.559 -0.566 353 HD2 HIS 49 HD2 HIS 49 -9.468 6.362 -0.582 354 HE1 HIS 49 HE1 HIS 49 -10.636 4.143 -3.983 355 HE2 HIS 49 HE2 HIS 49 -10.502 6.448 -2.960 356 H ASN 50 HN ASN 50 -6.804 0.843 0.065 357 HA ASN 50 HA ASN 50 -5.423 1.519 2.540 358 HB2 ASN 50 HB2 ASN 50 -4.907 -0.821 3.060 359 HB3 ASN 50 HB1 ASN 50 -6.641 -0.560 3.069 360 HD21 ASN 50 HD21 ASN 50 -7.016 -2.762 2.807 361 HD22 ASN 50 HD22 ASN 50 -6.758 -3.567 1.294 362 H LEU 51 HN LEU 51 -3.107 0.706 2.434 363 HA LEU 51 HA LEU 51 -2.227 0.504 -0.361 364 HB2 LEU 51 HB2 LEU 51 -1.828 2.779 0.648 365 HB3 LEU 51 HB1 LEU 51 -0.745 2.010 1.796 366 HG LEU 51 HG LEU 51 -0.228 1.619 -1.119 367 HD11 LEU 51 HD11 LEU 51 -0.630 4.011 -0.947 368 HD12 LEU 51 HD12 LEU 51 1.090 3.688 -1.171 369 HD13 LEU 51 HD13 LEU 51 0.473 4.114 0.425 370 HD21 LEU 51 HD21 LEU 51 1.112 0.453 0.586 371 HD22 LEU 51 HD22 LEU 51 1.585 2.012 1.262 372 HD23 LEU 51 HD23 LEU 51 2.080 1.572 -0.372 373 H VAL 52 HN VAL 52 -1.500 -1.448 -0.620 374 HA VAL 52 HA VAL 52 0.002 -2.734 1.560 375 HB VAL 52 HB VAL 52 -1.497 -4.013 -0.731 376 HG11 VAL 52 HG11 VAL 52 -1.086 -6.132 0.434 377 HG12 VAL 52 HG12 VAL 52 -0.094 -5.281 1.617 378 HG13 VAL 52 HG13 VAL 52 0.415 -5.357 -0.069 379 HG21 VAL 52 HG21 VAL 52 -2.170 -3.825 2.200 380 HG22 VAL 52 HG22 VAL 52 -3.044 -4.802 1.023 381 HG23 VAL 52 HG23 VAL 52 -3.025 -3.046 0.870 382 H ILE 53 HN ILE 53 2.070 -3.222 1.237 383 HA ILE 53 HA ILE 53 3.135 -3.002 -1.499 384 HB ILE 53 HB ILE 53 4.459 -2.508 1.166 385 HG12 ILE 53 HG12 ILE 53 4.060 -0.822 -1.317 386 HG13 ILE 53 HG11 ILE 53 3.231 -0.626 0.225 387 HG21 ILE 53 HG21 ILE 53 6.572 -2.191 -0.030 388 HG22 ILE 53 HG22 ILE 53 5.801 -2.698 -1.531 389 HG23 ILE 53 HG23 ILE 53 5.985 -3.845 -0.206 390 HD11 ILE 53 HD11 ILE 53 5.333 -0.015 1.281 391 HD12 ILE 53 HD12 ILE 53 4.979 1.038 -0.088 392 HD13 ILE 53 HD13 ILE 53 6.176 -0.247 -0.249 393 H ALA 54 HN ALA 54 3.758 -4.787 -2.433 394 HA ALA 54 HA ALA 54 4.853 -6.971 -0.854 395 HB1 ALA 54 HB1 ALA 54 2.496 -7.372 -2.688 396 HB2 ALA 54 HB2 ALA 54 2.419 -7.369 -0.928 397 HB3 ALA 54 HB3 ALA 54 3.338 -8.619 -1.768 398 H LYS 55 HN LYS 55 5.684 -8.703 -2.242 399 HA LYS 55 HA LYS 55 7.265 -7.673 -4.364 400 HB2 LYS 55 HB2 LYS 55 8.065 -9.460 -2.919 401 HB3 LYS 55 HB1 LYS 55 6.723 -10.490 -3.386 402 HG2 LYS 55 HG2 LYS 55 7.614 -10.914 -5.486 403 HG3 LYS 55 HG1 LYS 55 8.694 -9.517 -5.414 404 HD2 LYS 55 HD2 LYS 55 10.183 -10.578 -3.980 405 HD3 LYS 55 HD1 LYS 55 8.968 -11.739 -3.423 406 HE2 LYS 55 HE2 LYS 55 9.837 -11.740 -6.283 407 HE3 LYS 55 HE1 LYS 55 10.852 -12.499 -5.059 408 HZ1 LYS 55 HZ1 LYS 55 9.139 -13.944 -6.246 409 HZ2 LYS 55 HZ2 LYS 55 7.974 -13.163 -5.283 410 HZ3 LYS 55 HZ3 LYS 55 9.218 -14.049 -4.557 411 H ALA 56 HN ALA 56 6.851 -7.589 -6.472 412 HA ALA 56 HA ALA 56 4.216 -7.628 -7.369 413 HB1 ALA 56 HB1 ALA 56 6.708 -7.730 -9.053 414 HB2 ALA 56 HB2 ALA 56 6.012 -6.272 -8.348 415 HB3 ALA 56 HB3 ALA 56 5.113 -7.179 -9.565 416 H GLU 57 HN GLU 57 6.742 -10.040 -7.702 417 HA GLU 57 HA GLU 57 5.451 -11.757 -9.504 418 HB2 GLU 57 HB2 GLU 57 7.833 -11.895 -8.965 419 HB3 GLU 57 HB1 GLU 57 7.449 -12.368 -7.319 420 HG2 GLU 57 HG2 GLU 57 6.512 -14.447 -8.094 421 HG3 GLU 57 HG1 GLU 57 6.764 -13.965 -9.773 422 H ASP 58 HN ASP 58 4.945 -11.162 -6.150 423 HA ASP 58 HA ASP 58 3.264 -13.569 -5.893 424 HB2 ASP 58 HB2 ASP 58 4.631 -11.872 -3.796 425 HB3 ASP 58 HB1 ASP 58 3.502 -13.171 -3.424 426 H MET 59 HN MET 59 2.902 -10.529 -6.765 427 HA MET 59 HA MET 59 1.247 -9.299 -4.874 428 HB2 MET 59 HB2 MET 59 2.424 -8.343 -7.006 429 HB3 MET 59 HB1 MET 59 0.909 -8.758 -7.801 430 HG2 MET 59 HG2 MET 59 0.845 -6.458 -7.137 431 HG3 MET 59 HG1 MET 59 -0.294 -7.375 -6.150 432 HE1 MET 59 HE1 MET 59 0.623 -4.459 -5.329 433 HE2 MET 59 HE2 MET 59 0.948 -4.675 -3.609 434 HE3 MET 59 HE3 MET 59 -0.458 -5.445 -4.344 435 H ASP 60 HN ASP 60 0.506 -11.512 -7.489 436 HA ASP 60 HA ASP 60 -2.279 -11.180 -7.554 437 HB2 ASP 60 HB2 ASP 60 -1.181 -12.400 -9.319 438 HB3 ASP 60 HB1 ASP 60 -0.583 -13.601 -8.177 439 H GLY 61 HN GLY 61 -0.237 -13.357 -5.649 440 HA2 GLY 61 HA2 GLY 61 -2.368 -14.691 -4.334 441 HA3 GLY 61 HA1 GLY 61 -0.693 -14.646 -3.802 442 H VAL 62 HN VAL 62 -0.689 -11.712 -3.780 443 HA VAL 62 HA VAL 62 -1.512 -11.296 -1.102 444 HB VAL 62 HB VAL 62 -0.665 -9.330 -3.237 445 HG11 VAL 62 HG11 VAL 62 -2.014 -8.192 -1.557 446 HG12 VAL 62 HG12 VAL 62 -0.317 -7.736 -1.405 447 HG13 VAL 62 HG13 VAL 62 -1.026 -8.888 -0.273 448 HG21 VAL 62 HG21 VAL 62 1.460 -9.327 -2.011 449 HG22 VAL 62 HG22 VAL 62 1.058 -10.940 -2.600 450 HG23 VAL 62 HG23 VAL 62 0.821 -10.537 -0.901 451 H PHE 63 HN PHE 63 -2.792 -10.063 -4.204 452 HA PHE 63 HA PHE 63 -5.034 -8.759 -3.106 453 HB2 PHE 63 HB2 PHE 63 -4.614 -9.963 -5.849 454 HB3 PHE 63 HB1 PHE 63 -6.051 -9.046 -5.406 455 HD1 PHE 63 HD1 PHE 63 -5.465 -6.700 -4.260 456 HD2 PHE 63 HD2 PHE 63 -2.966 -8.831 -6.967 457 HE1 PHE 63 HE1 PHE 63 -4.340 -4.600 -4.868 458 HE2 PHE 63 HE2 PHE 63 -1.836 -6.736 -7.576 459 HZ PHE 63 HZ PHE 63 -2.521 -4.619 -6.529 460 H LYS 64 HN LYS 64 -4.567 -12.055 -4.256 461 HA LYS 64 HA LYS 64 -7.234 -12.903 -4.129 462 HB2 LYS 64 HB2 LYS 64 -5.429 -14.116 -5.300 463 HB3 LYS 64 HB1 LYS 64 -4.703 -14.514 -3.751 464 HG2 LYS 64 HG2 LYS 64 -6.633 -15.850 -3.157 465 HG3 LYS 64 HG1 LYS 64 -7.426 -15.409 -4.672 466 HD2 LYS 64 HD2 LYS 64 -5.616 -16.479 -5.926 467 HD3 LYS 64 HD1 LYS 64 -4.827 -16.920 -4.411 468 HE2 LYS 64 HE2 LYS 64 -6.771 -18.269 -3.797 469 HE3 LYS 64 HE1 LYS 64 -7.553 -17.834 -5.315 470 HZ1 LYS 64 HZ1 LYS 64 -5.798 -18.939 -6.518 471 HZ2 LYS 64 HZ2 LYS 64 -6.490 -20.015 -5.411 472 HZ3 LYS 64 HZ3 LYS 64 -4.991 -19.309 -5.080 473 H ASP 65 HN ASP 65 -4.613 -13.134 -1.739 474 HA ASP 65 HA ASP 65 -6.257 -14.422 0.214 475 HB2 ASP 65 HB2 ASP 65 -3.732 -14.570 0.042 476 HB3 ASP 65 HB1 ASP 65 -3.671 -12.944 0.712 477 H GLY 66 HN GLY 66 -5.599 -11.142 -0.667 478 HA2 GLY 66 HA2 GLY 66 -6.433 -9.875 1.727 479 HA3 GLY 66 HA1 GLY 66 -6.388 -9.137 0.132 480 H VAL 67 HN VAL 67 -8.171 -10.841 -1.198 481 HA VAL 67 HA VAL 67 -10.646 -9.664 -0.546 482 HB VAL 67 HB VAL 67 -10.108 -12.098 -2.262 483 HG11 VAL 67 HG11 VAL 67 -12.528 -10.297 -2.151 484 HG12 VAL 67 HG12 VAL 67 -12.454 -11.975 -1.618 485 HG13 VAL 67 HG13 VAL 67 -12.260 -11.584 -3.327 486 HG21 VAL 67 HG21 VAL 67 -8.895 -10.143 -3.043 487 HG22 VAL 67 HG22 VAL 67 -10.375 -9.185 -2.997 488 HG23 VAL 67 HG23 VAL 67 -10.223 -10.520 -4.140 489 H GLY 68 HN GLY 68 -9.199 -12.747 0.292 490 HA2 GLY 68 HA2 GLY 68 -11.579 -13.858 1.437 491 HA3 GLY 68 HA1 GLY 68 -9.944 -14.476 1.633 492 H ALA 69 HN ALA 69 -9.416 -11.487 2.489 493 HA ALA 69 HA ALA 69 -10.048 -11.997 5.318 494 HB1 ALA 69 HB1 ALA 69 -7.656 -11.861 4.760 495 HB2 ALA 69 HB2 ALA 69 -8.159 -10.576 5.858 496 HB3 ALA 69 HB3 ALA 69 -7.907 -10.225 4.149 497 H ALA 70 HN ALA 70 -12.125 -11.041 3.930 498 HA ALA 70 HA ALA 70 -12.317 -8.281 3.532 499 HB1 ALA 70 HB1 ALA 70 -14.518 -10.218 4.232 500 HB2 ALA 70 HB2 ALA 70 -13.911 -9.888 2.609 501 HB3 ALA 70 HB3 ALA 70 -14.732 -8.619 3.519 502 H ASP 71 HN ASP 71 -12.799 -10.221 6.411 503 HA ASP 71 HA ASP 71 -14.085 -8.191 7.936 504 HB2 ASP 71 HB2 ASP 71 -12.665 -10.722 8.769 505 HB3 ASP 71 HB1 ASP 71 -13.500 -9.660 9.896 506 H THR 72 HN THR 72 -10.797 -8.805 7.141 507 HA THR 72 HA THR 72 -9.946 -7.002 9.294 508 HB THR 72 HB THR 72 -7.637 -7.965 8.874 509 HG1 THR 72 HG1 THR 72 -7.625 -9.148 7.101 510 HG21 THR 72 HG21 THR 72 -8.982 -8.576 10.819 511 HG22 THR 72 HG22 THR 72 -8.066 -9.961 10.226 512 HG23 THR 72 HG23 THR 72 -9.790 -9.828 9.877 513 H ASP 73 HN ASP 73 -11.040 -5.814 7.120 514 HA ASP 73 HA ASP 73 -10.668 -4.018 5.784 515 HB2 ASP 73 HB2 ASP 73 -8.006 -4.105 7.206 516 HB3 ASP 73 HB1 ASP 73 -8.467 -2.813 6.106 517 H TYR 74 HN TYR 74 -10.019 -6.738 4.860 518 HA TYR 74 HA TYR 74 -9.281 -7.796 3.019 519 HB2 TYR 74 HB2 TYR 74 -8.935 -4.977 1.992 520 HB3 TYR 74 HB1 TYR 74 -8.698 -6.415 1.000 521 HD1 TYR 74 HD1 TYR 74 -10.767 -8.153 1.262 522 HD2 TYR 74 HD2 TYR 74 -10.961 -3.936 1.745 523 HE1 TYR 74 HE1 TYR 74 -13.169 -8.214 0.749 524 HE2 TYR 74 HE2 TYR 74 -13.367 -3.980 1.240 525 HH TYR 74 HH TYR 74 -15.168 -6.887 1.100 526 H VAL 75 HN VAL 75 -7.421 -6.945 5.185 527 HA VAL 75 HA VAL 75 -5.009 -7.684 3.684 528 HB VAL 75 HB VAL 75 -3.591 -6.511 5.300 529 HG11 VAL 75 HG11 VAL 75 -4.207 -5.316 3.298 530 HG12 VAL 75 HG12 VAL 75 -4.129 -4.193 4.656 531 HG13 VAL 75 HG13 VAL 75 -5.692 -4.747 4.058 532 HG21 VAL 75 HG21 VAL 75 -4.523 -4.949 6.928 533 HG22 VAL 75 HG22 VAL 75 -5.040 -6.601 7.258 534 HG23 VAL 75 HG23 VAL 75 -6.153 -5.463 6.500 535 H LYS 76 HN LYS 76 -4.037 -9.500 4.381 536 HA LYS 76 HA LYS 76 -5.377 -10.891 6.569 537 HB2 LYS 76 HB2 LYS 76 -5.119 -11.923 4.268 538 HB3 LYS 76 HB1 LYS 76 -3.396 -12.028 4.592 539 HG2 LYS 76 HG2 LYS 76 -5.342 -13.260 6.494 540 HG3 LYS 76 HG1 LYS 76 -4.923 -14.088 4.994 541 HD2 LYS 76 HD2 LYS 76 -2.567 -14.014 5.601 542 HD3 LYS 76 HD1 LYS 76 -2.965 -13.151 7.088 543 HE2 LYS 76 HE2 LYS 76 -4.315 -15.099 7.802 544 HE3 LYS 76 HE1 LYS 76 -3.797 -15.955 6.352 545 HZ1 LYS 76 HZ1 LYS 76 -2.008 -14.954 8.504 546 HZ2 LYS 76 HZ2 LYS 76 -1.503 -15.776 7.111 547 HZ3 LYS 76 HZ3 LYS 76 -2.460 -16.567 8.263 548 HA PRO 77 HA PRO 77 -1.886 -10.034 9.289 549 HB2 PRO 77 HB2 PRO 77 -3.171 -12.264 10.781 550 HB3 PRO 77 HB1 PRO 77 -2.698 -10.658 11.351 551 HG2 PRO 77 HG2 PRO 77 -5.266 -11.257 10.933 552 HG3 PRO 77 HG1 PRO 77 -4.625 -9.654 10.525 553 HD2 PRO 77 HD2 PRO 77 -5.280 -11.951 8.721 554 HD3 PRO 77 HD1 PRO 77 -5.508 -10.206 8.462 555 H ASP 78 HN ASP 78 -0.155 -10.839 8.172 556 HA ASP 78 HA ASP 78 0.655 -13.573 8.558 557 HB2 ASP 78 HB2 ASP 78 -1.028 -13.612 6.643 558 HB3 ASP 78 HB1 ASP 78 0.130 -12.666 5.721 559 H ASP 79 HN ASP 79 1.112 -10.995 6.157 560 HA ASP 79 HA ASP 79 2.908 -9.751 5.541 561 HB2 ASP 79 HB2 ASP 79 3.516 -10.099 8.477 562 HB3 ASP 79 HB1 ASP 79 4.424 -9.023 7.423 563 H ALA 80 HN ALA 80 3.215 -12.383 4.830 564 HA ALA 80 HA ALA 80 6.107 -12.782 5.183 565 HB1 ALA 80 HB1 ALA 80 4.795 -14.732 5.798 566 HB2 ALA 80 HB2 ALA 80 5.753 -15.067 4.355 567 HB3 ALA 80 HB3 ALA 80 4.028 -14.736 4.210 568 H ARG 81 HN ARG 81 3.576 -13.018 2.672 569 HA ARG 81 HA ARG 81 5.543 -12.463 0.593 570 HB2 ARG 81 HB2 ARG 81 2.535 -12.682 0.309 571 HB3 ARG 81 HB1 ARG 81 3.729 -12.777 -0.977 572 HG2 ARG 81 HG2 ARG 81 4.561 -14.877 -0.079 573 HG3 ARG 81 HG1 ARG 81 3.412 -14.775 1.256 574 HD2 ARG 81 HD2 ARG 81 2.382 -16.223 -0.257 575 HD3 ARG 81 HD1 ARG 81 1.608 -14.670 -0.567 576 HE ARG 81 HE ARG 81 3.838 -15.007 -2.281 577 HH11 ARG 81 HH11 ARG 81 0.552 -16.128 -1.802 578 HH12 ARG 81 HH12 ARG 81 0.315 -16.547 -3.469 579 HH21 ARG 81 HH21 ARG 81 3.543 -15.563 -4.456 580 HH22 ARG 81 HH22 ARG 81 2.024 -16.225 -4.990 581 H VAL 82 HN VAL 82 3.237 -10.918 2.563 582 HA VAL 82 HA VAL 82 3.313 -8.407 1.095 583 HB VAL 82 HB VAL 82 1.904 -9.114 3.680 584 HG11 VAL 82 HG11 VAL 82 2.314 -6.730 3.483 585 HG12 VAL 82 HG12 VAL 82 0.598 -7.078 3.278 586 HG13 VAL 82 HG13 VAL 82 1.598 -6.721 1.872 587 HG21 VAL 82 HG21 VAL 82 -0.142 -9.228 2.341 588 HG22 VAL 82 HG22 VAL 82 1.040 -10.426 1.814 589 HG23 VAL 82 HG23 VAL 82 0.801 -8.952 0.877 590 H VAL 83 HN VAL 83 4.573 -6.729 1.691 591 HA VAL 83 HA VAL 83 6.466 -7.158 3.854 592 HB VAL 83 HB VAL 83 6.273 -4.972 1.775 593 HG11 VAL 83 HG11 VAL 83 8.488 -4.266 2.533 594 HG12 VAL 83 HG12 VAL 83 8.429 -5.460 3.829 595 HG13 VAL 83 HG13 VAL 83 7.291 -4.115 3.818 596 HG21 VAL 83 HG21 VAL 83 8.249 -6.037 0.823 597 HG22 VAL 83 HG22 VAL 83 6.893 -7.162 0.893 598 HG23 VAL 83 HG23 VAL 83 8.195 -7.275 2.077 599 H ALA 84 HN ALA 84 3.879 -4.939 2.954 600 HA ALA 84 HA ALA 84 3.438 -4.258 5.709 601 HB1 ALA 84 HB1 ALA 84 4.335 -2.088 3.818 602 HB2 ALA 84 HB2 ALA 84 5.276 -2.737 5.161 603 HB3 ALA 84 HB3 ALA 84 3.779 -1.862 5.476 604 H HIS 85 HN HIS 85 1.473 -3.090 6.032 605 HA HIS 85 HA HIS 85 -0.211 -2.535 3.751 606 HB2 HIS 85 HB2 HIS 85 -2.033 -4.080 4.593 607 HB3 HIS 85 HB1 HIS 85 -0.655 -4.882 3.853 608 HD1 HIS 85 HD1 HIS 85 -2.443 -4.480 7.118 609 HD2 HIS 85 HD2 HIS 85 0.933 -6.406 5.630 610 HE1 HIS 85 HE1 HIS 85 -1.765 -6.137 8.886 611 HE2 HIS 85 HE2 HIS 85 0.296 -7.278 7.973 612 H THR 86 HN THR 86 -1.691 -1.007 4.199 613 HA THR 86 HA THR 86 -1.963 -0.101 6.960 614 HB THR 86 HB THR 86 -3.164 1.817 6.039 615 HG1 THR 86 HG1 THR 86 -4.269 1.090 4.308 616 HG21 THR 86 HG21 THR 86 -1.403 2.868 4.802 617 HG22 THR 86 HG22 THR 86 -0.746 1.307 4.319 618 HG23 THR 86 HG23 THR 86 -0.662 1.814 6.006 619 H LYS 87 HN LYS 87 -4.369 0.672 7.418 620 HA LYS 87 HA LYS 87 -6.123 -1.612 6.879 621 HB2 LYS 87 HB2 LYS 87 -6.501 0.724 8.772 622 HB3 LYS 87 HB1 LYS 87 -7.542 -0.688 8.656 623 HG2 LYS 87 HG2 LYS 87 -5.723 -2.115 9.406 624 HG3 LYS 87 HG1 LYS 87 -4.650 -0.716 9.485 625 HD2 LYS 87 HD2 LYS 87 -6.081 0.292 11.183 626 HD3 LYS 87 HD1 LYS 87 -7.174 -1.089 11.092 627 HE2 LYS 87 HE2 LYS 87 -5.369 -2.564 11.831 628 HE3 LYS 87 HE1 LYS 87 -4.277 -1.181 11.921 629 HZ1 LYS 87 HZ1 LYS 87 -5.193 -1.795 14.086 630 HZ2 LYS 87 HZ2 LYS 87 -6.760 -1.493 13.518 631 HZ3 LYS 87 HZ3 LYS 87 -5.647 -0.228 13.640 632 H LEU 88 HN LEU 88 -8.541 -0.886 6.654 633 HA LEU 88 HA LEU 88 -8.688 0.793 4.313 634 HB2 LEU 88 HB2 LEU 88 -10.796 -0.623 5.939 635 HB3 LEU 88 HB1 LEU 88 -11.180 0.391 4.565 636 HG LEU 88 HG LEU 88 -9.565 -2.158 4.490 637 HD11 LEU 88 HD11 LEU 88 -11.991 -2.431 4.892 638 HD12 LEU 88 HD12 LEU 88 -11.472 -3.084 3.345 639 HD13 LEU 88 HD13 LEU 88 -12.310 -1.536 3.407 640 HD21 LEU 88 HD21 LEU 88 -8.784 -0.557 2.810 641 HD22 LEU 88 HD22 LEU 88 -10.437 -0.333 2.246 642 HD23 LEU 88 HD23 LEU 88 -9.646 -1.896 2.054 643 H ILE 89 HN ILE 89 -9.091 2.888 4.286 644 HA ILE 89 HA ILE 89 -10.128 4.109 6.756 645 HB ILE 89 HB ILE 89 -8.850 6.164 6.066 646 HG12 ILE 89 HG12 ILE 89 -7.441 4.203 4.239 647 HG13 ILE 89 HG11 ILE 89 -8.494 5.508 3.702 648 HG21 ILE 89 HG21 ILE 89 -8.113 4.720 7.869 649 HG22 ILE 89 HG22 ILE 89 -6.725 5.318 6.960 650 HG23 ILE 89 HG23 ILE 89 -7.294 3.666 6.716 651 HD11 ILE 89 HD11 ILE 89 -6.194 6.147 3.446 652 HD12 ILE 89 HD12 ILE 89 -5.869 5.786 5.141 653 HD13 ILE 89 HD13 ILE 89 -6.933 7.125 4.713 654 H GLY 90 HN GLY 90 -11.738 5.542 6.634 655 HA2 GLY 90 HA2 GLY 90 -13.042 5.884 4.040 656 HA3 GLY 90 HA1 GLY 90 -13.733 6.259 5.615 657 H GLY 91 HN GLY 91 -14.386 8.221 4.377 658 HA2 GLY 91 HA2 GLY 91 -12.470 10.064 3.415 659 HA3 GLY 91 HA1 GLY 91 -14.151 10.421 3.771 660 H GLY 92 HN GLY 92 -10.917 10.768 4.768 661 HA2 GLY 92 HA2 GLY 92 -10.518 12.739 6.186 662 HA3 GLY 92 HA1 GLY 92 -11.844 12.173 7.198 663 H GLU 93 HN GLU 93 -10.792 9.353 6.736 664 HA GLU 93 HA GLU 93 -9.151 9.366 9.115 665 HB2 GLU 93 HB2 GLU 93 -10.183 7.099 7.411 666 HB3 GLU 93 HB1 GLU 93 -9.263 6.882 8.894 667 HG2 GLU 93 HG2 GLU 93 -11.046 8.013 10.143 668 HG3 GLU 93 HG1 GLU 93 -11.969 8.186 8.649 669 H GLU 94 HN GLU 94 -7.197 7.949 9.192 670 HA GLU 94 HA GLU 94 -5.737 7.760 6.683 671 HB2 GLU 94 HB2 GLU 94 -3.757 8.896 7.626 672 HB3 GLU 94 HB1 GLU 94 -5.140 9.974 7.499 673 HG2 GLU 94 HG2 GLU 94 -5.576 9.557 9.924 674 HG3 GLU 94 HG1 GLU 94 -4.038 8.690 9.980 675 H SER 95 HN SER 95 -3.897 6.380 6.800 676 HA SER 95 HA SER 95 -3.532 4.851 9.253 677 HB2 SER 95 HB2 SER 95 -5.276 3.642 7.906 678 HB3 SER 95 HB1 SER 95 -4.094 3.470 6.608 679 HG SER 95 HG SER 95 -3.785 2.489 9.260 680 H SER 96 HN SER 96 -1.546 3.467 9.076 681 HA SER 96 HA SER 96 0.364 4.459 7.113 682 HB2 SER 96 HB2 SER 96 1.959 4.956 9.069 683 HB3 SER 96 HB1 SER 96 0.655 6.115 8.787 684 HG SER 96 HG SER 96 -0.353 4.331 10.401 685 H LEU 97 HN LEU 97 2.384 3.286 7.145 686 HA LEU 97 HA LEU 97 2.419 0.820 8.705 687 HB2 LEU 97 HB2 LEU 97 3.044 -0.494 6.697 688 HB3 LEU 97 HB1 LEU 97 1.398 0.100 6.664 689 HG LEU 97 HG LEU 97 2.334 2.018 5.193 690 HD11 LEU 97 HD11 LEU 97 4.300 1.465 3.877 691 HD12 LEU 97 HD12 LEU 97 4.534 -0.010 4.808 692 HD13 LEU 97 HD13 LEU 97 4.714 1.559 5.588 693 HD21 LEU 97 HD21 LEU 97 0.860 0.196 4.416 694 HD22 LEU 97 HD22 LEU 97 2.287 -0.779 4.074 695 HD23 LEU 97 HD23 LEU 97 2.011 0.720 3.190 696 H THR 98 HN THR 98 4.533 -0.210 8.706 697 HA THR 98 HA THR 98 6.729 1.538 7.853 698 HB THR 98 HB THR 98 7.818 0.317 10.018 699 HG1 THR 98 HG1 THR 98 6.295 0.458 11.717 700 HG21 THR 98 HG21 THR 98 7.560 2.471 11.173 701 HG22 THR 98 HG22 THR 98 6.343 2.948 9.989 702 HG23 THR 98 HG23 THR 98 8.012 2.678 9.481 703 H LEU 99 HN LEU 99 8.203 0.514 6.667 704 HA LEU 99 HA LEU 99 8.207 -2.426 6.748 705 HB2 LEU 99 HB2 LEU 99 8.421 -2.494 4.335 706 HB3 LEU 99 HB1 LEU 99 6.962 -1.637 4.794 707 HG LEU 99 HG LEU 99 8.650 0.448 4.509 708 HD11 LEU 99 HD11 LEU 99 9.575 -1.638 2.541 709 HD12 LEU 99 HD12 LEU 99 10.535 -0.903 3.826 710 HD13 LEU 99 HD13 LEU 99 9.976 0.078 2.469 711 HD21 LEU 99 HD21 LEU 99 6.479 0.291 3.478 712 HD22 LEU 99 HD22 LEU 99 7.064 -0.934 2.352 713 HD23 LEU 99 HD23 LEU 99 7.673 0.718 2.252 714 H ASP 100 HN ASP 100 10.138 -3.445 6.073 715 HA ASP 100 HA ASP 100 12.538 -1.932 6.714 716 HB2 ASP 100 HB2 ASP 100 12.204 -4.146 7.742 717 HB3 ASP 100 HB1 ASP 100 12.132 -4.881 6.145 718 HA PRO 101 HA PRO 101 12.993 -1.070 2.306 719 HB2 PRO 101 HB2 PRO 101 15.641 -0.153 3.279 720 HB3 PRO 101 HB1 PRO 101 14.454 0.694 2.286 721 HG2 PRO 101 HG2 PRO 101 14.814 1.306 4.870 722 HG3 PRO 101 HG1 PRO 101 13.215 1.378 4.104 723 HD2 PRO 101 HD2 PRO 101 14.327 -0.639 5.991 724 HD3 PRO 101 HD1 PRO 101 12.657 -0.073 5.791 725 H ALA 102 HN ALA 102 15.382 -2.706 4.315 726 HA ALA 102 HA ALA 102 17.025 -3.527 2.143 727 HB1 ALA 102 HB1 ALA 102 18.192 -4.878 3.787 728 HB2 ALA 102 HB2 ALA 102 16.894 -4.610 4.951 729 HB3 ALA 102 HB3 ALA 102 17.890 -3.257 4.414 730 H LYS 103 HN LYS 103 14.037 -4.601 3.260 731 HA LYS 103 HA LYS 103 14.404 -7.349 2.391 732 HB2 LYS 103 HB2 LYS 103 13.046 -6.755 4.410 733 HB3 LYS 103 HB1 LYS 103 11.892 -5.964 3.349 734 HG2 LYS 103 HG2 LYS 103 11.235 -8.000 2.373 735 HG3 LYS 103 HG1 LYS 103 12.618 -8.859 3.049 736 HD2 LYS 103 HD2 LYS 103 10.568 -9.398 4.262 737 HD3 LYS 103 HD1 LYS 103 11.717 -8.554 5.300 738 HE2 LYS 103 HE2 LYS 103 10.490 -6.461 4.927 739 HE3 LYS 103 HE1 LYS 103 9.335 -7.328 3.918 740 HZ1 LYS 103 HZ1 LYS 103 8.524 -7.020 6.182 741 HZ2 LYS 103 HZ2 LYS 103 9.846 -7.876 6.788 742 HZ3 LYS 103 HZ3 LYS 103 8.709 -8.662 5.817 743 H LEU 104 HN LEU 104 13.783 -4.426 0.951 744 HA LEU 104 HA LEU 104 11.913 -5.431 -1.036 745 HB2 LEU 104 HB2 LEU 104 13.312 -2.763 -0.844 746 HB3 LEU 104 HB1 LEU 104 12.045 -3.169 -1.989 747 HG LEU 104 HG LEU 104 11.777 -2.896 1.006 748 HD11 LEU 104 HD11 LEU 104 10.559 -1.360 -1.283 749 HD12 LEU 104 HD12 LEU 104 11.845 -0.796 -0.217 750 HD13 LEU 104 HD13 LEU 104 10.231 -1.097 0.430 751 HD21 LEU 104 HD21 LEU 104 10.402 -4.752 0.324 752 HD22 LEU 104 HD22 LEU 104 9.742 -3.820 -1.020 753 HD23 LEU 104 HD23 LEU 104 9.374 -3.355 0.640 754 H ALA 105 HN ALA 105 15.028 -5.965 -0.574 755 HA ALA 105 HA ALA 105 16.038 -5.330 -3.212 756 HB1 ALA 105 HB1 ALA 105 18.142 -6.269 -2.420 757 HB2 ALA 105 HB2 ALA 105 17.350 -6.825 -0.948 758 HB3 ALA 105 HB3 ALA 105 17.499 -5.098 -1.270 759 H ASP 106 HN ASP 106 14.039 -7.645 -2.163 760 HA ASP 106 HA ASP 106 15.184 -9.984 -3.326 761 HB2 ASP 106 HB2 ASP 106 12.442 -9.296 -2.323 762 HB3 ASP 106 HB1 ASP 106 12.707 -10.777 -3.237 763 H GLY 107 HN GLY 107 13.463 -7.294 -4.629 764 HA2 GLY 107 HA2 GLY 107 13.933 -7.748 -7.248 765 HA3 GLY 107 HA1 GLY 107 12.512 -8.738 -6.938 766 H ASP 108 HN ASP 108 11.008 -7.658 -8.072 767 HA ASP 108 HA ASP 108 10.791 -4.770 -7.801 768 HB2 ASP 108 HB2 ASP 108 9.368 -6.752 -9.583 769 HB3 ASP 108 HB1 ASP 108 8.971 -5.040 -9.527 770 H TYR 109 HN TYR 109 9.480 -3.883 -6.392 771 HA TYR 109 HA TYR 109 7.280 -5.495 -5.327 772 HB2 TYR 109 HB2 TYR 109 8.919 -3.274 -4.131 773 HB3 TYR 109 HB1 TYR 109 7.373 -3.753 -3.438 774 HD1 TYR 109 HD1 TYR 109 10.690 -5.130 -4.433 775 HD2 TYR 109 HD2 TYR 109 7.260 -5.536 -1.952 776 HE1 TYR 109 HE1 TYR 109 11.780 -6.978 -3.239 777 HE2 TYR 109 HE2 TYR 109 8.344 -7.381 -0.751 778 HH TYR 109 HH TYR 109 11.543 -8.018 -0.826 779 H LYS 110 HN LYS 110 5.235 -4.566 -5.035 780 HA LYS 110 HA LYS 110 4.792 -2.003 -6.414 781 HB2 LYS 110 HB2 LYS 110 3.129 -4.519 -6.675 782 HB3 LYS 110 HB1 LYS 110 2.587 -2.928 -7.197 783 HG2 LYS 110 HG2 LYS 110 4.318 -2.804 -8.847 784 HG3 LYS 110 HG1 LYS 110 5.056 -4.295 -8.252 785 HD2 LYS 110 HD2 LYS 110 3.770 -4.731 -10.270 786 HD3 LYS 110 HD1 LYS 110 3.028 -5.534 -8.885 787 HE2 LYS 110 HE2 LYS 110 1.304 -4.532 -10.241 788 HE3 LYS 110 HE1 LYS 110 1.414 -3.661 -8.716 789 HZ1 LYS 110 HZ1 LYS 110 2.682 -1.933 -9.829 790 HZ2 LYS 110 HZ2 LYS 110 1.187 -2.159 -10.601 791 HZ3 LYS 110 HZ3 LYS 110 2.602 -2.781 -11.292 792 H PHE 111 HN PHE 111 3.043 -0.785 -5.641 793 HA PHE 111 HA PHE 111 1.891 -1.728 -3.107 794 HB2 PHE 111 HB2 PHE 111 1.677 0.546 -2.359 795 HB3 PHE 111 HB1 PHE 111 3.336 0.328 -2.892 796 HD1 PHE 111 HD2 PHE 111 4.133 1.402 -4.941 797 HD2 PHE 111 HD1 PHE 111 0.184 2.036 -3.485 798 HE1 PHE 111 HE2 PHE 111 3.916 3.375 -6.391 799 HE2 PHE 111 HE1 PHE 111 -0.038 4.013 -4.935 800 HZ PHE 111 HZ PHE 111 1.830 4.684 -6.385 801 H ALA 112 HN ALA 112 -0.343 -1.490 -2.847 802 HA ALA 112 HA ALA 112 -1.938 -0.372 -4.962 803 HB1 ALA 112 HB1 ALA 112 -1.908 -3.368 -4.624 804 HB2 ALA 112 HB2 ALA 112 -1.204 -2.489 -5.981 805 HB3 ALA 112 HB3 ALA 112 -2.947 -2.448 -5.711 806 H CYS 113 HN CYS 113 -4.205 -0.623 -4.608 807 HA CYS 113 HA CYS 113 -4.934 -0.929 -1.798 808 HB2 CYS 113 HB2 CYS 113 -5.689 1.052 -3.187 809 HB3 CYS 113 HB1 CYS 113 -6.665 -0.063 -4.135 810 H THR 114 HN THR 114 -5.763 -2.818 -1.082 811 HA THR 114 HA THR 114 -6.258 -4.888 -3.075 812 HB THR 114 HB THR 114 -6.302 -6.452 -1.142 813 HG1 THR 114 HG1 THR 114 -6.095 -5.719 0.889 814 HG21 THR 114 HG21 THR 114 -3.894 -4.636 -1.319 815 HG22 THR 114 HG22 THR 114 -4.216 -6.043 -2.330 816 HG23 THR 114 HG23 THR 114 -3.901 -6.249 -0.607 817 H PHE 115 HN PHE 115 -8.179 -2.631 -2.207 818 HA PHE 115 HA PHE 115 -10.508 -4.042 -1.310 819 HB2 PHE 115 HB2 PHE 115 -10.052 -1.535 -1.080 820 HB3 PHE 115 HB1 PHE 115 -10.437 -1.403 -2.791 821 HD1 PHE 115 HD2 PHE 115 -12.756 -2.076 -3.556 822 HD2 PHE 115 HD1 PHE 115 -11.726 -1.583 0.540 823 HE1 PHE 115 HE2 PHE 115 -15.138 -1.850 -2.988 824 HE2 PHE 115 HE1 PHE 115 -14.105 -1.351 1.115 825 HZ PHE 115 HZ PHE 115 -15.816 -1.482 -0.650 826 HA PRO 116 HA PRO 116 -11.231 -6.182 -5.162 827 HB2 PRO 116 HB2 PRO 116 -14.052 -6.087 -4.193 828 HB3 PRO 116 HB1 PRO 116 -13.103 -7.470 -4.758 829 HG2 PRO 116 HG2 PRO 116 -13.569 -7.120 -2.164 830 HG3 PRO 116 HG1 PRO 116 -11.994 -7.703 -2.735 831 HD2 PRO 116 HD2 PRO 116 -12.769 -4.992 -1.743 832 HD3 PRO 116 HD1 PRO 116 -11.243 -5.884 -1.533 833 H GLY 117 HN GLY 117 -11.218 -5.071 -6.997 834 HA2 GLY 117 HA2 GLY 117 -12.477 -4.041 -8.767 835 HA3 GLY 117 HA1 GLY 117 -13.455 -3.234 -7.547 836 H HIS 118 HN HIS 118 -10.615 -2.853 -6.209 837 HA HIS 118 HA HIS 118 -10.216 -0.250 -7.490 838 HB2 HIS 118 HB2 HIS 118 -9.405 -1.323 -4.788 839 HB3 HIS 118 HB1 HIS 118 -8.845 0.222 -5.407 840 HD2 HIS 118 HD2 HIS 118 -12.522 -0.391 -6.231 841 HE1 HIS 118 HE1 HIS 118 -12.368 2.011 -2.748 842 HE2 HIS 118 HE2 HIS 118 -13.892 0.867 -4.422 843 H GLY 119 HN GLY 119 -8.470 -3.204 -6.672 844 HA2 GLY 119 HA2 GLY 119 -5.854 -2.253 -6.946 845 HA3 GLY 119 HA1 GLY 119 -6.343 -3.932 -7.109 846 H ALA 120 HN ALA 120 -8.124 -3.107 -9.433 847 HA ALA 120 HA ALA 120 -6.298 -3.746 -11.475 848 HB1 ALA 120 HB1 ALA 120 -8.144 -3.323 -13.020 849 HB2 ALA 120 HB2 ALA 120 -9.061 -2.568 -11.716 850 HB3 ALA 120 HB3 ALA 120 -8.664 -4.283 -11.635 851 H LEU 121 HN LEU 121 -7.284 -0.708 -10.138 852 HA LEU 121 HA LEU 121 -5.686 0.660 -12.200 853 HB2 LEU 121 HB2 LEU 121 -8.137 1.155 -12.300 854 HB3 LEU 121 HB1 LEU 121 -8.038 1.809 -10.679 855 HG LEU 121 HG LEU 121 -8.085 3.444 -12.655 856 HD11 LEU 121 HD11 LEU 121 -6.572 5.013 -11.548 857 HD12 LEU 121 HD12 LEU 121 -5.899 3.689 -10.596 858 HD13 LEU 121 HD13 LEU 121 -7.587 4.157 -10.388 859 HD21 LEU 121 HD21 LEU 121 -5.180 2.660 -12.807 860 HD22 LEU 121 HD22 LEU 121 -5.971 3.953 -13.707 861 HD23 LEU 121 HD23 LEU 121 -6.405 2.272 -14.015 862 H MET 122 HN MET 122 -6.493 0.397 -8.782 863 HA MET 122 HA MET 122 -4.723 2.595 -8.093 864 HB2 MET 122 HB2 MET 122 -6.156 0.754 -6.175 865 HB3 MET 122 HB1 MET 122 -5.525 2.365 -5.852 866 HG2 MET 122 HG2 MET 122 -7.178 3.230 -7.524 867 HG3 MET 122 HG1 MET 122 -7.890 1.620 -7.539 868 HE1 MET 122 HE1 MET 122 -10.201 2.115 -6.827 869 HE2 MET 122 HE2 MET 122 -9.822 3.823 -7.029 870 HE3 MET 122 HE3 MET 122 -10.659 3.271 -5.582 871 H ASN 123 HN ASN 123 -2.916 1.382 -9.086 872 HA ASN 123 HA ASN 123 -1.383 0.226 -6.936 873 HB2 ASN 123 HB2 ASN 123 -0.733 -1.799 -8.047 874 HB3 ASN 123 HB1 ASN 123 -2.496 -1.749 -8.070 875 HD21 ASN 123 HD21 ASN 123 -3.558 -1.455 -10.011 876 HD22 ASN 123 HD22 ASN 123 -2.758 -1.608 -11.537 877 H GLY 124 HN GLY 124 0.891 0.214 -7.398 878 HA2 GLY 124 HA2 GLY 124 1.729 1.499 -9.878 879 HA3 GLY 124 HA1 GLY 124 2.000 2.415 -8.401 880 H LYS 125 HN LYS 125 4.219 2.379 -8.644 881 HA LYS 125 HA LYS 125 5.507 -0.257 -8.334 882 HB2 LYS 125 HB2 LYS 125 5.934 0.985 -10.494 883 HB3 LYS 125 HB1 LYS 125 6.708 2.241 -9.542 884 HG2 LYS 125 HG2 LYS 125 8.476 0.961 -10.316 885 HG3 LYS 125 HG1 LYS 125 8.227 0.368 -8.673 886 HD2 LYS 125 HD2 LYS 125 6.963 -1.525 -9.526 887 HD3 LYS 125 HD1 LYS 125 7.135 -0.916 -11.174 888 HE2 LYS 125 HE2 LYS 125 9.630 -1.069 -10.840 889 HE3 LYS 125 HE1 LYS 125 9.291 -1.941 -9.346 890 HZ1 LYS 125 HZ1 LYS 125 8.071 -3.586 -10.660 891 HZ2 LYS 125 HZ2 LYS 125 9.694 -3.482 -11.127 892 HZ3 LYS 125 HZ3 LYS 125 8.487 -2.769 -12.081 893 H VAL 126 HN VAL 126 6.778 -0.519 -6.560 894 HA VAL 126 HA VAL 126 7.779 1.904 -5.246 895 HB VAL 126 HB VAL 126 6.070 1.122 -3.768 896 HG11 VAL 126 HG11 VAL 126 6.065 -1.140 -2.814 897 HG12 VAL 126 HG12 VAL 126 7.372 -1.588 -3.909 898 HG13 VAL 126 HG13 VAL 126 5.793 -1.141 -4.556 899 HG21 VAL 126 HG21 VAL 126 8.119 1.886 -2.702 900 HG22 VAL 126 HG22 VAL 126 8.763 0.245 -2.737 901 HG23 VAL 126 HG23 VAL 126 7.353 0.618 -1.747 902 H THR 127 HN THR 127 9.895 1.967 -5.137 903 HA THR 127 HA THR 127 11.365 -0.528 -5.696 904 HB THR 127 HB THR 127 11.981 2.191 -6.861 905 HG1 THR 127 HG1 THR 127 10.718 -0.072 -8.056 906 HG21 THR 127 HG21 THR 127 13.047 -0.557 -7.515 907 HG22 THR 127 HG22 THR 127 13.926 0.724 -6.678 908 HG23 THR 127 HG23 THR 127 13.456 0.934 -8.365 909 H LEU 128 HN LEU 128 13.253 -0.838 -4.623 910 HA LEU 128 HA LEU 128 13.992 0.993 -2.516 911 HB2 LEU 128 HB2 LEU 128 14.106 -1.457 -2.208 912 HB3 LEU 128 HB1 LEU 128 15.314 -1.550 -3.476 913 HG LEU 128 HG LEU 128 16.817 -0.136 -2.068 914 HD11 LEU 128 HD11 LEU 128 14.670 -0.589 -0.006 915 HD12 LEU 128 HD12 LEU 128 15.173 0.960 -0.682 916 HD13 LEU 128 HD13 LEU 128 16.282 0.038 0.329 917 HD21 LEU 128 HD21 LEU 128 17.062 -2.552 -2.137 918 HD22 LEU 128 HD22 LEU 128 15.861 -2.725 -0.858 919 HD23 LEU 128 HD23 LEU 128 17.404 -1.941 -0.519 920 H VAL 129 HN VAL 129 15.429 2.579 -2.704 921 HA VAL 129 HA VAL 129 17.247 2.540 -5.024 922 HB VAL 129 HB VAL 129 16.976 4.994 -5.203 923 HG11 VAL 129 HG11 VAL 129 15.694 3.523 -6.669 924 HG12 VAL 129 HG12 VAL 129 14.771 4.973 -6.268 925 HG13 VAL 129 HG13 VAL 129 14.402 3.443 -5.470 926 HG21 VAL 129 HG21 VAL 129 16.252 5.451 -2.919 927 HG22 VAL 129 HG22 VAL 129 14.737 4.600 -3.219 928 HG23 VAL 129 HG23 VAL 129 15.096 6.093 -4.086 929 H ASP 130 HN ASP 130 19.092 3.971 -4.807 930 HA ASP 130 HA ASP 130 20.063 4.106 -2.033 931 HB2 ASP 130 HB2 ASP 130 21.396 2.683 -3.567 932 HB3 ASP 130 HB1 ASP 130 21.645 4.072 -4.620 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 19.090 11.305 -7.637 2 H2 ALA 1 HT2 ALA 1 19.303 9.770 -8.306 3 H3 ALA 1 HT3 ALA 1 19.952 10.127 -6.786 4 HA ALA 1 HA ALA 1 17.074 10.055 -7.449 5 HB1 ALA 1 HB1 ALA 1 18.114 7.826 -7.475 6 HB2 ALA 1 HB2 ALA 1 16.977 8.016 -6.140 7 HB3 ALA 1 HB3 ALA 1 18.711 8.102 -5.838 8 H THR 2 HN THR 2 15.690 10.491 -5.718 9 HA THR 2 HA THR 2 16.804 12.285 -3.742 10 HB THR 2 HB THR 2 13.922 11.414 -3.917 11 HG1 THR 2 HG1 THR 2 15.429 12.989 -5.672 12 HG21 THR 2 HG21 THR 2 15.234 14.002 -3.065 13 HG22 THR 2 HG22 THR 2 14.597 12.771 -1.976 14 HG23 THR 2 HG23 THR 2 13.503 13.660 -3.036 15 H ALA 3 HN ALA 3 18.021 10.887 -2.430 16 HA ALA 3 HA ALA 3 16.730 8.613 -1.168 17 HB1 ALA 3 HB1 ALA 3 19.050 8.422 -1.919 18 HB2 ALA 3 HB2 ALA 3 18.919 8.181 -0.176 19 HB3 ALA 3 HB3 ALA 3 19.518 9.712 -0.813 20 H GLY 4 HN GLY 4 16.756 11.863 -0.574 21 HA2 GLY 4 HA2 GLY 4 17.012 11.750 2.304 22 HA3 GLY 4 HA1 GLY 4 16.569 13.156 1.347 23 H ASN 5 HN ASN 5 15.152 9.916 1.835 24 HA ASN 5 HA ASN 5 12.707 11.190 2.827 25 HB2 ASN 5 HB2 ASN 5 12.802 9.218 0.534 26 HB3 ASN 5 HB1 ASN 5 11.337 9.588 1.434 27 HD21 ASN 5 HD21 ASN 5 13.569 10.664 -0.963 28 HD22 ASN 5 HD22 ASN 5 12.692 12.078 -1.435 29 H CYS 6 HN CYS 6 12.359 10.326 4.756 30 HA CYS 6 HA CYS 6 12.902 7.459 5.137 31 HB2 CYS 6 HB2 CYS 6 12.509 9.640 7.199 32 HB3 CYS 6 HB1 CYS 6 12.844 7.946 7.556 33 H ALA 7 HN ALA 7 10.472 9.676 4.608 34 HA ALA 7 HA ALA 7 8.429 7.707 5.171 35 HB1 ALA 7 HB1 ALA 7 7.041 9.236 6.472 36 HB2 ALA 7 HB2 ALA 7 8.313 10.456 6.414 37 HB3 ALA 7 HB3 ALA 7 8.580 8.946 7.284 38 H ALA 8 HN ALA 8 6.385 8.269 4.188 39 HA ALA 8 HA ALA 8 6.384 10.521 2.340 40 HB1 ALA 8 HB1 ALA 8 5.823 9.122 0.410 41 HB2 ALA 8 HB2 ALA 8 6.052 7.675 1.390 42 HB3 ALA 8 HB3 ALA 8 7.423 8.729 1.042 43 H THR 9 HN THR 9 4.340 11.232 1.851 44 HA THR 9 HA THR 9 2.136 9.761 3.116 45 HB THR 9 HB THR 9 2.458 11.895 4.218 46 HG1 THR 9 HG1 THR 9 0.192 12.153 2.486 47 HG21 THR 9 HG21 THR 9 2.190 14.027 2.999 48 HG22 THR 9 HG22 THR 9 2.176 13.128 1.482 49 HG23 THR 9 HG23 THR 9 3.619 13.126 2.493 50 H VAL 10 HN VAL 10 0.613 9.005 1.861 51 HA VAL 10 HA VAL 10 0.468 9.970 -0.923 52 HB VAL 10 HB VAL 10 -0.198 7.216 0.141 53 HG11 VAL 10 HG11 VAL 10 -0.514 6.597 -2.201 54 HG12 VAL 10 HG12 VAL 10 -0.214 8.265 -2.687 55 HG13 VAL 10 HG13 VAL 10 -1.637 7.870 -1.721 56 HG21 VAL 10 HG21 VAL 10 1.732 6.453 -1.149 57 HG22 VAL 10 HG22 VAL 10 2.211 7.630 0.075 58 HG23 VAL 10 HG23 VAL 10 2.084 8.117 -1.615 59 H GLU 11 HN GLU 11 -1.365 10.985 -1.408 60 HA GLU 11 HA GLU 11 -3.601 10.793 0.438 61 HB2 GLU 11 HB2 GLU 11 -3.658 12.495 -2.022 62 HB3 GLU 11 HB1 GLU 11 -4.410 12.778 -0.463 63 HG2 GLU 11 HG2 GLU 11 -1.480 13.048 -1.105 64 HG3 GLU 11 HG1 GLU 11 -2.627 14.362 -0.853 65 H SER 12 HN SER 12 -5.602 10.011 -0.100 66 HA SER 12 HA SER 12 -5.954 8.932 -2.815 67 HB2 SER 12 HB2 SER 12 -7.312 7.078 -1.688 68 HB3 SER 12 HB1 SER 12 -5.566 6.984 -1.485 69 HG SER 12 HG SER 12 -5.814 7.914 0.574 70 H ASN 13 HN ASN 13 -7.963 9.287 -3.716 71 HA ASN 13 HA ASN 13 -9.752 10.951 -2.077 72 HB2 ASN 13 HB2 ASN 13 -10.143 12.374 -4.089 73 HB3 ASN 13 HB1 ASN 13 -8.489 12.444 -3.499 74 HD21 ASN 13 HD21 ASN 13 -7.754 13.161 -5.495 75 HD22 ASN 13 HD22 ASN 13 -7.601 12.096 -6.848 76 H ASP 14 HN ASP 14 -11.690 11.463 -3.960 77 HA ASP 14 HA ASP 14 -13.161 9.005 -3.916 78 HB2 ASP 14 HB2 ASP 14 -14.321 11.073 -3.485 79 HB3 ASP 14 HB1 ASP 14 -13.777 11.753 -5.012 80 H ASN 15 HN ASN 15 -11.095 10.509 -6.193 81 HA ASN 15 HA ASN 15 -12.501 9.678 -8.558 82 HB2 ASN 15 HB2 ASN 15 -9.829 10.986 -8.109 83 HB3 ASN 15 HB1 ASN 15 -10.341 10.449 -9.707 84 HD21 ASN 15 HD21 ASN 15 -9.793 13.146 -8.727 85 HD22 ASN 15 HD22 ASN 15 -11.243 14.050 -9.005 86 H MET 16 HN MET 16 -11.242 7.730 -6.507 87 HA MET 16 HA MET 16 -10.390 5.626 -6.538 88 HB2 MET 16 HB2 MET 16 -11.166 5.855 -9.452 89 HB3 MET 16 HB1 MET 16 -10.628 4.361 -8.705 90 HG2 MET 16 HG2 MET 16 -12.537 4.412 -7.197 91 HG3 MET 16 HG1 MET 16 -13.068 5.934 -7.915 92 HE1 MET 16 HE1 MET 16 -14.878 3.289 -7.624 93 HE2 MET 16 HE2 MET 16 -15.693 3.263 -9.188 94 HE3 MET 16 HE3 MET 16 -15.489 4.788 -8.325 95 H GLN 17 HN GLN 17 -8.390 7.367 -6.410 96 HA GLN 17 HA GLN 17 -6.348 6.172 -8.096 97 HB2 GLN 17 HB2 GLN 17 -5.512 8.230 -8.967 98 HB3 GLN 17 HB1 GLN 17 -7.237 8.201 -9.298 99 HG2 GLN 17 HG2 GLN 17 -7.692 9.730 -7.548 100 HG3 GLN 17 HG1 GLN 17 -6.047 9.602 -6.926 101 HE21 GLN 17 HE21 GLN 17 -4.359 10.606 -8.064 102 HE22 GLN 17 HE22 GLN 17 -4.667 11.873 -9.200 103 H PHE 18 HN PHE 18 -4.297 6.280 -7.285 104 HA PHE 18 HA PHE 18 -3.875 7.514 -4.676 105 HB2 PHE 18 HB2 PHE 18 -2.129 5.818 -6.478 106 HB3 PHE 18 HB1 PHE 18 -1.510 6.595 -5.028 107 HD1 PHE 18 HD2 PHE 18 -3.231 6.137 -2.931 108 HD2 PHE 18 HD1 PHE 18 -2.511 3.586 -6.261 109 HE1 PHE 18 HE2 PHE 18 -3.985 4.213 -1.609 110 HE2 PHE 18 HE1 PHE 18 -3.275 1.652 -4.948 111 HZ PHE 18 HZ PHE 18 -3.843 1.919 -2.587 112 H ASN 19 HN ASN 19 -2.349 9.224 -4.408 113 HA ASN 19 HA ASN 19 -1.959 10.878 -6.740 114 HB2 ASN 19 HB2 ASN 19 -1.338 11.179 -3.819 115 HB3 ASN 19 HB1 ASN 19 -0.634 12.285 -4.996 116 HD21 ASN 19 HD21 ASN 19 -1.787 13.984 -3.987 117 HD22 ASN 19 HD22 ASN 19 -3.477 14.211 -4.288 118 H THR 20 HN THR 20 -0.492 8.182 -5.938 119 HA THR 20 HA THR 20 2.091 9.039 -7.016 120 HB THR 20 HB THR 20 3.219 7.414 -5.472 121 HG1 THR 20 HG1 THR 20 1.125 6.366 -4.930 122 HG21 THR 20 HG21 THR 20 3.250 9.833 -5.030 123 HG22 THR 20 HG22 THR 20 3.244 8.892 -3.539 124 HG23 THR 20 HG23 THR 20 1.763 9.669 -4.097 125 H LYS 21 HN LYS 21 2.749 7.774 -8.651 126 HA LYS 21 HA LYS 21 1.652 5.058 -8.868 127 HB2 LYS 21 HB2 LYS 21 2.812 6.964 -10.873 128 HB3 LYS 21 HB1 LYS 21 2.819 5.234 -11.197 129 HG2 LYS 21 HG2 LYS 21 0.376 6.901 -10.620 130 HG3 LYS 21 HG1 LYS 21 0.891 6.334 -12.212 131 HD2 LYS 21 HD2 LYS 21 0.749 3.994 -11.312 132 HD3 LYS 21 HD1 LYS 21 0.006 4.666 -9.862 133 HE2 LYS 21 HE2 LYS 21 -1.798 5.600 -11.234 134 HE3 LYS 21 HE1 LYS 21 -1.058 4.895 -12.671 135 HZ1 LYS 21 HZ1 LYS 21 -2.830 3.500 -11.845 136 HZ2 LYS 21 HZ2 LYS 21 -2.091 3.389 -10.332 137 HZ3 LYS 21 HZ3 LYS 21 -1.350 2.701 -11.690 138 H ASP 22 HN ASP 22 4.342 6.801 -7.932 139 HA ASP 22 HA ASP 22 5.862 4.323 -7.662 140 HB2 ASP 22 HB2 ASP 22 7.891 5.216 -8.497 141 HB3 ASP 22 HB1 ASP 22 6.677 5.671 -9.689 142 H ILE 23 HN ILE 23 6.896 4.160 -5.743 143 HA ILE 23 HA ILE 23 6.999 6.564 -4.039 144 HB ILE 23 HB ILE 23 6.401 3.715 -3.220 145 HG12 ILE 23 HG12 ILE 23 4.857 6.286 -2.784 146 HG13 ILE 23 HG11 ILE 23 4.501 5.109 -4.046 147 HG21 ILE 23 HG21 ILE 23 8.012 4.717 -1.663 148 HG22 ILE 23 HG22 ILE 23 6.441 4.457 -0.907 149 HG23 ILE 23 HG23 ILE 23 6.918 6.078 -1.415 150 HD11 ILE 23 HD11 ILE 23 4.323 4.684 -1.074 151 HD12 ILE 23 HD12 ILE 23 4.077 3.426 -2.285 152 HD13 ILE 23 HD13 ILE 23 2.986 4.809 -2.216 153 H GLN 24 HN GLN 24 8.951 7.079 -3.309 154 HA GLN 24 HA GLN 24 11.145 5.297 -4.053 155 HB2 GLN 24 HB2 GLN 24 11.117 8.239 -3.377 156 HB3 GLN 24 HB1 GLN 24 12.566 7.321 -3.775 157 HG2 GLN 24 HG2 GLN 24 11.724 6.854 -5.981 158 HG3 GLN 24 HG1 GLN 24 10.194 7.643 -5.603 159 HE21 GLN 24 HE21 GLN 24 11.526 9.798 -4.117 160 HE22 GLN 24 HE22 GLN 24 12.216 10.827 -5.319 161 H VAL 25 HN VAL 25 11.655 3.951 -2.498 162 HA VAL 25 HA VAL 25 11.662 4.856 0.288 163 HB VAL 25 HB VAL 25 12.040 2.071 -0.835 164 HG11 VAL 25 HG11 VAL 25 13.169 2.362 1.305 165 HG12 VAL 25 HG12 VAL 25 11.754 1.322 1.484 166 HG13 VAL 25 HG13 VAL 25 11.686 3.003 2.013 167 HG21 VAL 25 HG21 VAL 25 9.783 2.865 -1.214 168 HG22 VAL 25 HG22 VAL 25 9.645 3.350 0.475 169 HG23 VAL 25 HG23 VAL 25 9.785 1.643 0.059 170 H SER 26 HN SER 26 13.497 5.555 1.130 171 HA SER 26 HA SER 26 15.976 5.223 -0.288 172 HB2 SER 26 HB2 SER 26 15.420 7.360 0.822 173 HB3 SER 26 HB1 SER 26 15.421 6.542 2.382 174 HG SER 26 HG SER 26 17.421 7.695 1.618 175 H LYS 27 HN LYS 27 17.407 3.672 0.013 176 HA LYS 27 HA LYS 27 17.093 1.782 2.163 177 HB2 LYS 27 HB2 LYS 27 18.967 0.591 1.153 178 HB3 LYS 27 HB1 LYS 27 17.778 1.023 -0.064 179 HG2 LYS 27 HG2 LYS 27 19.158 2.788 -0.887 180 HG3 LYS 27 HG1 LYS 27 20.293 2.588 0.449 181 HD2 LYS 27 HD2 LYS 27 21.169 1.566 -1.583 182 HD3 LYS 27 HD1 LYS 27 20.838 0.335 -0.363 183 HE2 LYS 27 HE2 LYS 27 18.685 -0.138 -1.479 184 HE3 LYS 27 HE1 LYS 27 19.099 1.035 -2.724 185 HZ1 LYS 27 HZ1 LYS 27 21.040 -0.320 -3.277 186 HZ2 LYS 27 HZ2 LYS 27 19.606 -1.195 -3.454 187 HZ3 LYS 27 HZ3 LYS 27 20.591 -1.456 -2.107 188 H ALA 28 HN ALA 28 18.340 4.781 2.116 189 HA ALA 28 HA ALA 28 20.661 4.291 3.781 190 HB1 ALA 28 HB1 ALA 28 20.660 6.177 2.219 191 HB2 ALA 28 HB2 ALA 28 20.842 6.725 3.886 192 HB3 ALA 28 HB3 ALA 28 19.285 6.881 3.071 193 H CYS 29 HN CYS 29 17.392 4.282 4.211 194 HA CYS 29 HA CYS 29 17.522 5.232 6.988 195 HB2 CYS 29 HB2 CYS 29 15.111 4.633 5.250 196 HB3 CYS 29 HB1 CYS 29 15.070 5.331 6.866 197 H LYS 30 HN LYS 30 16.594 3.906 8.657 198 HA LYS 30 HA LYS 30 16.915 1.067 8.119 199 HB2 LYS 30 HB2 LYS 30 17.974 2.023 10.120 200 HB3 LYS 30 HB1 LYS 30 16.401 2.535 10.714 201 HG2 LYS 30 HG2 LYS 30 17.262 0.488 11.800 202 HG3 LYS 30 HG1 LYS 30 15.701 0.263 11.011 203 HD2 LYS 30 HD2 LYS 30 16.828 -0.744 9.082 204 HD3 LYS 30 HD1 LYS 30 18.387 -0.521 9.876 205 HE2 LYS 30 HE2 LYS 30 17.807 -2.057 11.605 206 HE3 LYS 30 HE1 LYS 30 16.134 -2.131 11.057 207 HZ1 LYS 30 HZ1 LYS 30 17.459 -4.067 10.381 208 HZ2 LYS 30 HZ2 LYS 30 18.461 -3.058 9.471 209 HZ3 LYS 30 HZ3 LYS 30 16.826 -3.224 9.056 210 H GLU 31 HN GLU 31 14.436 3.386 8.874 211 HA GLU 31 HA GLU 31 12.421 1.343 8.284 212 HB2 GLU 31 HB2 GLU 31 12.254 3.376 10.522 213 HB3 GLU 31 HB1 GLU 31 10.935 2.336 10.005 214 HG2 GLU 31 HG2 GLU 31 12.133 0.378 10.696 215 HG3 GLU 31 HG1 GLU 31 13.563 1.339 11.073 216 H PHE 32 HN PHE 32 11.002 1.991 6.794 217 HA PHE 32 HA PHE 32 10.897 4.873 6.180 218 HB2 PHE 32 HB2 PHE 32 11.758 3.313 4.375 219 HB3 PHE 32 HB1 PHE 32 10.149 2.602 4.329 220 HD1 PHE 32 HD2 PHE 32 12.062 5.699 3.765 221 HD2 PHE 32 HD1 PHE 32 8.389 3.647 3.137 222 HE1 PHE 32 HE2 PHE 32 11.374 7.431 2.163 223 HE2 PHE 32 HE1 PHE 32 7.699 5.379 1.529 224 HZ PHE 32 HZ PHE 32 9.189 7.271 1.044 225 H THR 33 HN THR 33 9.007 5.889 6.444 226 HA THR 33 HA THR 33 6.724 4.227 7.282 227 HB THR 33 HB THR 33 7.221 7.147 7.899 228 HG1 THR 33 HG1 THR 33 8.775 5.692 8.875 229 HG21 THR 33 HG21 THR 33 5.494 6.817 9.612 230 HG22 THR 33 HG22 THR 33 5.278 5.151 9.075 231 HG23 THR 33 HG23 THR 33 4.865 6.485 7.997 232 H ILE 34 HN ILE 34 5.017 4.147 5.992 233 HA ILE 34 HA ILE 34 4.620 6.343 4.072 234 HB ILE 34 HB ILE 34 3.679 3.478 3.879 235 HG12 ILE 34 HG12 ILE 34 5.713 5.032 2.267 236 HG13 ILE 34 HG11 ILE 34 6.081 3.776 3.442 237 HG21 ILE 34 HG21 ILE 34 2.035 5.015 2.938 238 HG22 ILE 34 HG22 ILE 34 2.830 4.092 1.662 239 HG23 ILE 34 HG23 ILE 34 3.288 5.771 1.952 240 HD11 ILE 34 HD11 ILE 34 4.930 2.137 2.039 241 HD12 ILE 34 HD12 ILE 34 6.253 2.927 1.183 242 HD13 ILE 34 HD13 ILE 34 4.586 3.398 0.857 243 H THR 35 HN THR 35 2.972 7.626 4.455 244 HA THR 35 HA THR 35 0.816 6.668 6.209 245 HB THR 35 HB THR 35 1.649 9.516 5.611 246 HG1 THR 35 HG1 THR 35 2.018 7.911 7.949 247 HG21 THR 35 HG21 THR 35 -0.730 9.332 6.144 248 HG22 THR 35 HG22 THR 35 0.148 10.107 7.463 249 HG23 THR 35 HG23 THR 35 -0.342 8.419 7.603 250 H LEU 36 HN LEU 36 -1.148 6.431 5.380 251 HA LEU 36 HA LEU 36 -1.667 7.477 2.685 252 HB2 LEU 36 HB2 LEU 36 -1.878 5.016 3.118 253 HB3 LEU 36 HB1 LEU 36 -3.186 5.372 4.226 254 HG LEU 36 HG LEU 36 -4.425 6.421 2.301 255 HD11 LEU 36 HD11 LEU 36 -2.615 6.888 0.806 256 HD12 LEU 36 HD12 LEU 36 -3.692 5.724 0.036 257 HD13 LEU 36 HD13 LEU 36 -2.169 5.185 0.739 258 HD21 LEU 36 HD21 LEU 36 -4.955 4.178 3.089 259 HD22 LEU 36 HD22 LEU 36 -3.696 3.505 2.054 260 HD23 LEU 36 HD23 LEU 36 -5.107 4.277 1.334 261 H LYS 37 HN LYS 37 -3.124 9.037 2.392 262 HA LYS 37 HA LYS 37 -4.850 9.775 4.675 263 HB2 LYS 37 HB2 LYS 37 -3.745 11.600 2.525 264 HB3 LYS 37 HB1 LYS 37 -4.709 12.087 3.911 265 HG2 LYS 37 HG2 LYS 37 -2.109 10.698 4.352 266 HG3 LYS 37 HG1 LYS 37 -2.124 12.402 3.904 267 HD2 LYS 37 HD2 LYS 37 -3.700 12.784 5.827 268 HD3 LYS 37 HD1 LYS 37 -3.384 11.118 6.322 269 HE2 LYS 37 HE2 LYS 37 -1.060 11.581 6.640 270 HE3 LYS 37 HE1 LYS 37 -1.221 13.174 5.905 271 HZ1 LYS 37 HZ1 LYS 37 -1.119 13.353 8.288 272 HZ2 LYS 37 HZ2 LYS 37 -2.433 12.301 8.473 273 HZ3 LYS 37 HZ3 LYS 37 -2.653 13.822 7.752 274 H HIS 38 HN HIS 38 -6.871 9.064 4.185 275 HA HIS 38 HA HIS 38 -7.768 9.299 1.398 276 HB2 HIS 38 HB2 HIS 38 -8.091 7.117 2.574 277 HB3 HIS 38 HB1 HIS 38 -9.173 7.930 3.707 278 HD1 HIS 38 HD1 HIS 38 -9.549 9.065 0.225 279 HD2 HIS 38 HD2 HIS 38 -11.135 6.094 2.656 280 HE1 HIS 38 HE1 HIS 38 -11.673 8.326 -0.905 281 HE2 HIS 38 HE2 HIS 38 -12.431 6.325 0.439 282 H THR 39 HN THR 39 -8.199 11.427 1.184 283 HA THR 39 HA THR 39 -9.531 12.975 3.177 284 HB THR 39 HB THR 39 -9.569 14.703 1.303 285 HG1 THR 39 HG1 THR 39 -8.268 14.131 -0.515 286 HG21 THR 39 HG21 THR 39 -6.923 13.436 2.032 287 HG22 THR 39 HG22 THR 39 -7.792 14.637 2.987 288 HG23 THR 39 HG23 THR 39 -7.143 15.070 1.406 289 H GLY 40 HN GLY 40 -10.496 11.384 0.210 290 HA2 GLY 40 HA2 GLY 40 -12.907 12.634 -0.338 291 HA3 GLY 40 HA1 GLY 40 -12.547 10.960 -0.736 292 H THR 41 HN THR 41 -14.830 12.722 0.612 293 HA THR 41 HA THR 41 -15.286 11.437 3.119 294 HB THR 41 HB THR 41 -17.592 12.538 2.838 295 HG1 THR 41 HG1 THR 41 -17.665 12.874 0.648 296 HG21 THR 41 HG21 THR 41 -15.825 13.502 4.216 297 HG22 THR 41 HG22 THR 41 -16.685 14.768 3.341 298 HG23 THR 41 HG23 THR 41 -15.095 14.240 2.792 299 H GLN 42 HN GLN 42 -14.970 9.295 1.766 300 HA GLN 42 HA GLN 42 -17.659 8.292 1.107 301 HB2 GLN 42 HB2 GLN 42 -14.991 7.529 -0.089 302 HB3 GLN 42 HB1 GLN 42 -16.484 6.646 -0.375 303 HG2 GLN 42 HG2 GLN 42 -16.162 9.561 -1.019 304 HG3 GLN 42 HG1 GLN 42 -15.787 8.272 -2.164 305 HE21 GLN 42 HE21 GLN 42 -17.356 8.922 -3.594 306 HE22 GLN 42 HE22 GLN 42 -19.051 8.690 -3.287 307 HA PRO 43 HA PRO 43 -17.000 5.623 4.589 308 HB2 PRO 43 HB2 PRO 43 -18.916 3.766 3.986 309 HB3 PRO 43 HB1 PRO 43 -19.269 5.338 4.713 310 HG2 PRO 43 HG2 PRO 43 -19.460 4.485 1.851 311 HG3 PRO 43 HG1 PRO 43 -20.588 5.471 2.805 312 HD2 PRO 43 HD2 PRO 43 -18.852 6.587 1.068 313 HD3 PRO 43 HD1 PRO 43 -19.291 7.385 2.596 314 H LYS 44 HN LYS 44 -16.001 3.672 5.060 315 HA LYS 44 HA LYS 44 -14.195 2.860 3.035 316 HB2 LYS 44 HB2 LYS 44 -13.209 1.404 4.715 317 HB3 LYS 44 HB1 LYS 44 -13.537 2.989 5.392 318 HG2 LYS 44 HG2 LYS 44 -15.503 2.124 6.522 319 HG3 LYS 44 HG1 LYS 44 -15.245 0.542 5.790 320 HD2 LYS 44 HD2 LYS 44 -13.153 0.289 6.963 321 HD3 LYS 44 HD1 LYS 44 -13.272 1.928 7.600 322 HE2 LYS 44 HE2 LYS 44 -15.260 -0.261 8.175 323 HE3 LYS 44 HE1 LYS 44 -13.899 0.135 9.221 324 HZ1 LYS 44 HZ1 LYS 44 -14.794 2.338 9.530 325 HZ2 LYS 44 HZ2 LYS 44 -15.968 1.192 9.934 326 HZ3 LYS 44 HZ3 LYS 44 -16.068 2.018 8.465 327 H ALA 45 HN ALA 45 -17.239 1.647 4.011 328 HA ALA 45 HA ALA 45 -16.863 -1.020 3.036 329 HB1 ALA 45 HB1 ALA 45 -19.267 -1.253 3.340 330 HB2 ALA 45 HB2 ALA 45 -19.418 0.488 3.579 331 HB3 ALA 45 HB3 ALA 45 -18.533 -0.489 4.751 332 H SER 46 HN SER 46 -17.414 1.998 1.568 333 HA SER 46 HA SER 46 -18.437 0.707 -0.869 334 HB2 SER 46 HB2 SER 46 -18.662 3.628 -0.117 335 HB3 SER 46 HB1 SER 46 -19.448 2.816 -1.469 336 HG SER 46 HG SER 46 -20.453 1.457 0.223 337 H MET 47 HN MET 47 -16.327 3.377 0.229 338 HA MET 47 HA MET 47 -14.537 2.741 -2.015 339 HB2 MET 47 HB2 MET 47 -15.949 4.780 -2.525 340 HB3 MET 47 HB1 MET 47 -15.172 5.568 -1.161 341 HG2 MET 47 HG2 MET 47 -13.955 6.325 -2.998 342 HG3 MET 47 HG1 MET 47 -12.960 5.035 -2.323 343 HE1 MET 47 HE1 MET 47 -15.410 4.795 -6.214 344 HE2 MET 47 HE2 MET 47 -15.091 6.276 -5.314 345 HE3 MET 47 HE3 MET 47 -16.170 5.053 -4.647 346 H GLY 48 HN GLY 48 -13.786 1.603 0.056 347 HA2 GLY 48 HA2 GLY 48 -12.185 3.329 1.777 348 HA3 GLY 48 HA1 GLY 48 -12.374 1.582 1.932 349 H HIS 49 HN HIS 49 -9.896 3.100 1.954 350 HA HIS 49 HA HIS 49 -8.638 1.766 -0.342 351 HB2 HIS 49 HB2 HIS 49 -7.970 4.567 0.607 352 HB3 HIS 49 HB1 HIS 49 -7.045 3.662 -0.584 353 HD2 HIS 49 HD2 HIS 49 -9.345 6.424 -0.633 354 HE1 HIS 49 HE1 HIS 49 -10.379 4.222 -4.089 355 HE2 HIS 49 HE2 HIS 49 -10.361 6.512 -3.020 356 H ASN 50 HN ASN 50 -6.639 0.900 0.030 357 HA ASN 50 HA ASN 50 -5.266 1.517 2.526 358 HB2 ASN 50 HB2 ASN 50 -4.917 -0.812 3.125 359 HB3 ASN 50 HB1 ASN 50 -6.644 -0.500 3.022 360 HD21 ASN 50 HD21 ASN 50 -5.305 -3.017 2.891 361 HD22 ASN 50 HD22 ASN 50 -5.680 -3.713 1.348 362 H LEU 51 HN LEU 51 -3.003 0.977 2.442 363 HA LEU 51 HA LEU 51 -2.081 0.617 -0.330 364 HB2 LEU 51 HB2 LEU 51 -1.699 2.893 0.655 365 HB3 LEU 51 HB1 LEU 51 -0.665 2.143 1.860 366 HG LEU 51 HG LEU 51 -0.020 1.697 -1.018 367 HD11 LEU 51 HD11 LEU 51 1.277 3.784 -1.065 368 HD12 LEU 51 HD12 LEU 51 0.575 4.246 0.483 369 HD13 LEU 51 HD13 LEU 51 -0.456 4.083 -0.938 370 HD21 LEU 51 HD21 LEU 51 2.272 1.760 -0.138 371 HD22 LEU 51 HD22 LEU 51 1.282 0.575 0.715 372 HD23 LEU 51 HD23 LEU 51 1.643 2.129 1.465 373 H VAL 52 HN VAL 52 -1.305 -1.328 -0.588 374 HA VAL 52 HA VAL 52 0.175 -2.568 1.631 375 HB VAL 52 HB VAL 52 -0.403 -4.722 0.782 376 HG11 VAL 52 HG11 VAL 52 -2.145 -3.623 2.091 377 HG12 VAL 52 HG12 VAL 52 -2.839 -4.701 0.882 378 HG13 VAL 52 HG13 VAL 52 -2.841 -2.959 0.614 379 HG21 VAL 52 HG21 VAL 52 -1.647 -5.089 -1.274 380 HG22 VAL 52 HG22 VAL 52 -0.141 -4.235 -1.609 381 HG23 VAL 52 HG23 VAL 52 -1.669 -3.354 -1.590 382 H ILE 53 HN ILE 53 2.175 -3.461 1.253 383 HA ILE 53 HA ILE 53 3.259 -3.113 -1.461 384 HB ILE 53 HB ILE 53 4.701 -2.840 1.179 385 HG12 ILE 53 HG12 ILE 53 4.199 -0.932 -1.117 386 HG13 ILE 53 HG11 ILE 53 3.488 -0.845 0.491 387 HG21 ILE 53 HG21 ILE 53 6.747 -2.481 -0.137 388 HG22 ILE 53 HG22 ILE 53 5.859 -2.869 -1.611 389 HG23 ILE 53 HG23 ILE 53 6.097 -4.103 -0.375 390 HD11 ILE 53 HD11 ILE 53 5.256 0.792 0.201 391 HD12 ILE 53 HD12 ILE 53 6.403 -0.497 -0.170 392 HD13 ILE 53 HD13 ILE 53 5.683 -0.391 1.437 393 H ALA 54 HN ALA 54 3.620 -4.931 -2.442 394 HA ALA 54 HA ALA 54 4.409 -7.301 -0.917 395 HB1 ALA 54 HB1 ALA 54 1.937 -7.322 -1.085 396 HB2 ALA 54 HB2 ALA 54 2.690 -8.673 -1.933 397 HB3 ALA 54 HB3 ALA 54 2.082 -7.288 -2.842 398 H LYS 55 HN LYS 55 4.948 -9.119 -2.433 399 HA LYS 55 HA LYS 55 6.787 -8.149 -4.402 400 HB2 LYS 55 HB2 LYS 55 5.941 -10.976 -3.710 401 HB3 LYS 55 HB1 LYS 55 7.298 -10.547 -4.742 402 HG2 LYS 55 HG2 LYS 55 8.457 -9.534 -2.914 403 HG3 LYS 55 HG1 LYS 55 7.056 -9.726 -1.859 404 HD2 LYS 55 HD2 LYS 55 8.677 -11.434 -1.344 405 HD3 LYS 55 HD1 LYS 55 7.265 -12.181 -2.099 406 HE2 LYS 55 HE2 LYS 55 8.436 -12.293 -4.229 407 HE3 LYS 55 HE1 LYS 55 9.838 -11.489 -3.521 408 HZ1 LYS 55 HZ1 LYS 55 8.763 -14.150 -2.761 409 HZ2 LYS 55 HZ2 LYS 55 10.054 -13.376 -1.990 410 HZ3 LYS 55 HZ3 LYS 55 10.197 -13.850 -3.604 411 H ALA 56 HN ALA 56 6.561 -8.046 -6.528 412 HA ALA 56 HA ALA 56 4.042 -7.885 -7.704 413 HB1 ALA 56 HB1 ALA 56 5.236 -7.644 -9.820 414 HB2 ALA 56 HB2 ALA 56 6.716 -8.220 -9.052 415 HB3 ALA 56 HB3 ALA 56 5.994 -6.695 -8.542 416 H GLU 57 HN GLU 57 6.163 -10.597 -7.350 417 HA GLU 57 HA GLU 57 5.093 -12.210 -9.429 418 HB2 GLU 57 HB2 GLU 57 6.635 -12.903 -6.930 419 HB3 GLU 57 HB1 GLU 57 6.187 -14.085 -8.151 420 HG2 GLU 57 HG2 GLU 57 7.536 -13.010 -9.794 421 HG3 GLU 57 HG1 GLU 57 7.837 -11.641 -8.728 422 H ASP 58 HN ASP 58 4.056 -11.490 -6.211 423 HA ASP 58 HA ASP 58 2.032 -13.635 -6.370 424 HB2 ASP 58 HB2 ASP 58 3.556 -12.558 -4.006 425 HB3 ASP 58 HB1 ASP 58 2.027 -13.396 -3.801 426 H MET 59 HN MET 59 2.069 -10.719 -7.201 427 HA MET 59 HA MET 59 0.667 -9.205 -5.271 428 HB2 MET 59 HB2 MET 59 2.068 -8.408 -7.313 429 HB3 MET 59 HB1 MET 59 0.551 -8.564 -8.198 430 HG2 MET 59 HG2 MET 59 0.839 -6.293 -7.448 431 HG3 MET 59 HG1 MET 59 -0.517 -7.039 -6.599 432 HE1 MET 59 HE1 MET 59 0.908 -4.696 -3.821 433 HE2 MET 59 HE2 MET 59 -0.540 -5.226 -4.677 434 HE3 MET 59 HE3 MET 59 0.732 -4.363 -5.544 435 H ASP 60 HN ASP 60 -0.408 -11.047 -8.103 436 HA ASP 60 HA ASP 60 -3.110 -10.208 -7.980 437 HB2 ASP 60 HB2 ASP 60 -1.731 -12.536 -9.275 438 HB3 ASP 60 HB1 ASP 60 -3.489 -12.452 -9.245 439 H GLY 61 HN GLY 61 -1.331 -12.837 -6.501 440 HA2 GLY 61 HA2 GLY 61 -3.526 -14.206 -5.378 441 HA3 GLY 61 HA1 GLY 61 -1.871 -14.269 -4.793 442 H VAL 62 HN VAL 62 -1.762 -11.362 -4.375 443 HA VAL 62 HA VAL 62 -2.649 -11.271 -1.697 444 HB VAL 62 HB VAL 62 -1.827 -9.008 -3.534 445 HG11 VAL 62 HG11 VAL 62 -1.487 -7.694 -1.504 446 HG12 VAL 62 HG12 VAL 62 -2.109 -9.025 -0.527 447 HG13 VAL 62 HG13 VAL 62 -3.174 -8.187 -1.657 448 HG21 VAL 62 HG21 VAL 62 -0.282 -10.526 -1.431 449 HG22 VAL 62 HG22 VAL 62 0.318 -9.148 -2.354 450 HG23 VAL 62 HG23 VAL 62 -0.066 -10.660 -3.177 451 H PHE 63 HN PHE 63 -3.966 -9.886 -4.687 452 HA PHE 63 HA PHE 63 -6.161 -8.594 -3.413 453 HB2 PHE 63 HB2 PHE 63 -5.934 -9.474 -6.306 454 HB3 PHE 63 HB1 PHE 63 -7.064 -8.283 -5.659 455 HD1 PHE 63 HD1 PHE 63 -5.746 -6.397 -4.200 456 HD2 PHE 63 HD2 PHE 63 -4.177 -8.599 -7.480 457 HE1 PHE 63 HE1 PHE 63 -4.107 -4.611 -4.608 458 HE2 PHE 63 HE2 PHE 63 -2.531 -6.821 -7.894 459 HZ PHE 63 HZ PHE 63 -2.496 -4.822 -6.458 460 H LYS 64 HN LYS 64 -5.642 -11.753 -4.819 461 HA LYS 64 HA LYS 64 -8.327 -12.607 -4.910 462 HB2 LYS 64 HB2 LYS 64 -6.408 -13.663 -6.113 463 HB3 LYS 64 HB1 LYS 64 -5.838 -14.290 -4.575 464 HG2 LYS 64 HG2 LYS 64 -7.894 -15.591 -4.345 465 HG3 LYS 64 HG1 LYS 64 -8.451 -14.972 -5.902 466 HD2 LYS 64 HD2 LYS 64 -6.444 -15.956 -6.965 467 HD3 LYS 64 HD1 LYS 64 -5.994 -16.652 -5.409 468 HE2 LYS 64 HE2 LYS 64 -7.098 -18.330 -6.730 469 HE3 LYS 64 HE1 LYS 64 -8.144 -17.876 -5.385 470 HZ1 LYS 64 HZ1 LYS 64 -9.381 -16.443 -6.895 471 HZ2 LYS 64 HZ2 LYS 64 -9.393 -18.044 -7.432 472 HZ3 LYS 64 HZ3 LYS 64 -8.387 -16.908 -8.180 473 H ASP 65 HN ASP 65 -5.782 -13.069 -2.471 474 HA ASP 65 HA ASP 65 -7.551 -14.437 -0.660 475 HB2 ASP 65 HB2 ASP 65 -4.736 -13.391 -0.423 476 HB3 ASP 65 HB1 ASP 65 -5.594 -14.048 0.965 477 H GLY 66 HN GLY 66 -6.900 -11.190 -1.399 478 HA2 GLY 66 HA2 GLY 66 -7.276 -10.046 1.177 479 HA3 GLY 66 HA1 GLY 66 -7.349 -9.191 -0.357 480 H VAL 67 HN VAL 67 -9.442 -10.870 -1.444 481 HA VAL 67 HA VAL 67 -11.676 -9.387 -0.635 482 HB VAL 67 HB VAL 67 -11.672 -12.053 -2.064 483 HG11 VAL 67 HG11 VAL 67 -13.876 -11.422 -1.239 484 HG12 VAL 67 HG12 VAL 67 -13.808 -11.313 -2.998 485 HG13 VAL 67 HG13 VAL 67 -13.729 -9.848 -2.021 486 HG21 VAL 67 HG21 VAL 67 -11.499 -9.250 -3.165 487 HG22 VAL 67 HG22 VAL 67 -11.738 -10.707 -4.131 488 HG23 VAL 67 HG23 VAL 67 -10.240 -10.484 -3.226 489 H GLY 68 HN GLY 68 -10.410 -12.457 0.450 490 HA2 GLY 68 HA2 GLY 68 -12.794 -13.066 1.996 491 HA3 GLY 68 HA1 GLY 68 -11.349 -14.059 1.874 492 H ALA 69 HN ALA 69 -10.597 -10.833 2.520 493 HA ALA 69 HA ALA 69 -10.443 -11.390 5.412 494 HB1 ALA 69 HB1 ALA 69 -8.234 -11.560 4.363 495 HB2 ALA 69 HB2 ALA 69 -8.321 -10.207 5.490 496 HB3 ALA 69 HB3 ALA 69 -8.404 -9.915 3.754 497 H ALA 70 HN ALA 70 -12.595 -10.100 4.216 498 HA ALA 70 HA ALA 70 -12.387 -7.307 4.019 499 HB1 ALA 70 HB1 ALA 70 -14.241 -8.611 3.076 500 HB2 ALA 70 HB2 ALA 70 -14.812 -7.291 4.097 501 HB3 ALA 70 HB3 ALA 70 -14.822 -8.945 4.708 502 H ASP 71 HN ASP 71 -12.761 -9.396 6.765 503 HA ASP 71 HA ASP 71 -13.786 -7.364 8.511 504 HB2 ASP 71 HB2 ASP 71 -13.641 -9.031 10.255 505 HB3 ASP 71 HB1 ASP 71 -14.303 -9.776 8.806 506 H THR 72 HN THR 72 -10.648 -8.324 7.487 507 HA THR 72 HA THR 72 -9.393 -7.119 9.826 508 HB THR 72 HB THR 72 -7.989 -8.385 7.471 509 HG1 THR 72 HG1 THR 72 -8.616 -10.250 8.252 510 HG21 THR 72 HG21 THR 72 -7.131 -7.897 10.330 511 HG22 THR 72 HG22 THR 72 -6.582 -6.992 8.919 512 HG23 THR 72 HG23 THR 72 -6.168 -8.699 9.089 513 H ASP 73 HN ASP 73 -8.450 -6.940 6.408 514 HA ASP 73 HA ASP 73 -9.023 -4.177 6.122 515 HB2 ASP 73 HB2 ASP 73 -6.761 -3.281 6.021 516 HB3 ASP 73 HB1 ASP 73 -7.049 -3.975 7.609 517 H TYR 74 HN TYR 74 -9.316 -6.761 4.821 518 HA TYR 74 HA TYR 74 -9.286 -7.727 2.790 519 HB2 TYR 74 HB2 TYR 74 -8.575 -4.925 1.918 520 HB3 TYR 74 HB1 TYR 74 -8.877 -6.245 0.785 521 HD1 TYR 74 HD1 TYR 74 -11.154 -7.524 1.199 522 HD2 TYR 74 HD2 TYR 74 -10.336 -3.563 2.501 523 HE1 TYR 74 HE1 TYR 74 -13.567 -7.064 1.288 524 HE2 TYR 74 HE2 TYR 74 -12.746 -3.090 2.603 525 HH TYR 74 HH TYR 74 -15.100 -5.475 2.518 526 H VAL 75 HN VAL 75 -6.872 -7.536 4.479 527 HA VAL 75 HA VAL 75 -5.071 -8.680 2.461 528 HB VAL 75 HB VAL 75 -4.260 -7.133 4.936 529 HG11 VAL 75 HG11 VAL 75 -2.547 -8.583 2.918 530 HG12 VAL 75 HG12 VAL 75 -2.796 -9.048 4.600 531 HG13 VAL 75 HG13 VAL 75 -1.947 -7.552 4.216 532 HG21 VAL 75 HG21 VAL 75 -4.921 -5.698 3.085 533 HG22 VAL 75 HG22 VAL 75 -3.814 -6.553 2.010 534 HG23 VAL 75 HG23 VAL 75 -3.182 -5.604 3.357 535 H LYS 76 HN LYS 76 -4.581 -10.770 2.883 536 HA LYS 76 HA LYS 76 -5.814 -12.075 5.077 537 HB2 LYS 76 HB2 LYS 76 -5.280 -13.134 2.834 538 HB3 LYS 76 HB1 LYS 76 -3.604 -13.227 3.370 539 HG2 LYS 76 HG2 LYS 76 -4.180 -14.688 5.162 540 HG3 LYS 76 HG1 LYS 76 -5.902 -14.448 4.878 541 HD2 LYS 76 HD2 LYS 76 -5.311 -16.573 3.983 542 HD3 LYS 76 HD1 LYS 76 -5.591 -15.486 2.625 543 HE2 LYS 76 HE2 LYS 76 -3.183 -15.172 2.374 544 HE3 LYS 76 HE1 LYS 76 -2.894 -16.230 3.756 545 HZ1 LYS 76 HZ1 LYS 76 -4.213 -17.031 1.214 546 HZ2 LYS 76 HZ2 LYS 76 -3.901 -18.047 2.532 547 HZ3 LYS 76 HZ3 LYS 76 -2.616 -17.394 1.651 548 HA PRO 77 HA PRO 77 -2.821 -10.843 8.044 549 HB2 PRO 77 HB2 PRO 77 -3.778 -12.280 10.138 550 HB3 PRO 77 HB1 PRO 77 -4.550 -10.808 9.535 551 HG2 PRO 77 HG2 PRO 77 -5.251 -13.670 9.018 552 HG3 PRO 77 HG1 PRO 77 -6.324 -12.297 9.350 553 HD2 PRO 77 HD2 PRO 77 -5.902 -13.259 6.850 554 HD3 PRO 77 HD1 PRO 77 -6.232 -11.541 7.170 555 H ASP 78 HN ASP 78 -2.437 -13.460 6.388 556 HA ASP 78 HA ASP 78 -0.702 -14.979 8.117 557 HB2 ASP 78 HB2 ASP 78 -1.195 -14.972 5.138 558 HB3 ASP 78 HB1 ASP 78 0.075 -15.948 5.866 559 H ASP 79 HN ASP 79 -0.503 -12.289 5.917 560 HA ASP 79 HA ASP 79 1.184 -10.896 5.280 561 HB2 ASP 79 HB2 ASP 79 2.080 -11.526 8.097 562 HB3 ASP 79 HB1 ASP 79 2.738 -10.225 7.113 563 H ALA 80 HN ALA 80 1.634 -13.089 4.021 564 HA ALA 80 HA ALA 80 4.478 -13.729 4.406 565 HB1 ALA 80 HB1 ALA 80 4.072 -15.754 3.106 566 HB2 ALA 80 HB2 ALA 80 2.385 -15.290 2.891 567 HB3 ALA 80 HB3 ALA 80 2.995 -15.677 4.501 568 H ARG 81 HN ARG 81 2.033 -13.084 1.914 569 HA ARG 81 HA ARG 81 4.024 -12.529 -0.099 570 HB2 ARG 81 HB2 ARG 81 1.021 -12.183 -0.046 571 HB3 ARG 81 HB1 ARG 81 2.018 -11.782 -1.436 572 HG2 ARG 81 HG2 ARG 81 2.690 -14.080 -1.684 573 HG3 ARG 81 HG1 ARG 81 1.835 -14.522 -0.202 574 HD2 ARG 81 HD2 ARG 81 -0.277 -14.084 -1.180 575 HD3 ARG 81 HD1 ARG 81 0.450 -13.269 -2.561 576 HE ARG 81 HE ARG 81 1.461 -15.695 -2.871 577 HH11 ARG 81 HH11 ARG 81 -1.798 -14.728 -2.029 578 HH12 ARG 81 HH12 ARG 81 -2.548 -16.078 -2.814 579 HH21 ARG 81 HH21 ARG 81 0.472 -17.490 -3.904 580 HH22 ARG 81 HH22 ARG 81 -1.259 -17.652 -3.871 581 H VAL 82 HN VAL 82 2.074 -10.783 2.169 582 HA VAL 82 HA VAL 82 2.799 -8.206 1.012 583 HB VAL 82 HB VAL 82 0.966 -8.851 3.330 584 HG11 VAL 82 HG11 VAL 82 0.168 -6.557 3.082 585 HG12 VAL 82 HG12 VAL 82 1.359 -6.273 1.813 586 HG13 VAL 82 HG13 VAL 82 1.888 -6.596 3.465 587 HG21 VAL 82 HG21 VAL 82 -0.858 -8.342 1.756 588 HG22 VAL 82 HG22 VAL 82 0.083 -9.746 1.255 589 HG23 VAL 82 HG23 VAL 82 0.321 -8.193 0.456 590 H VAL 83 HN VAL 83 4.327 -6.953 1.843 591 HA VAL 83 HA VAL 83 5.801 -7.876 4.169 592 HB VAL 83 HB VAL 83 6.314 -5.542 2.309 593 HG11 VAL 83 HG11 VAL 83 8.091 -6.735 4.438 594 HG12 VAL 83 HG12 VAL 83 7.292 -5.165 4.517 595 HG13 VAL 83 HG13 VAL 83 8.544 -5.458 3.308 596 HG21 VAL 83 HG21 VAL 83 6.525 -7.668 1.170 597 HG22 VAL 83 HG22 VAL 83 7.568 -8.281 2.453 598 HG23 VAL 83 HG23 VAL 83 8.121 -6.962 1.422 599 H ALA 84 HN ALA 84 3.955 -5.050 3.132 600 HA ALA 84 HA ALA 84 3.355 -4.430 5.909 601 HB1 ALA 84 HB1 ALA 84 3.987 -2.085 5.691 602 HB2 ALA 84 HB2 ALA 84 4.585 -2.386 4.058 603 HB3 ALA 84 HB3 ALA 84 5.385 -3.131 5.443 604 H HIS 85 HN HIS 85 1.466 -3.151 6.151 605 HA HIS 85 HA HIS 85 0.022 -2.263 3.832 606 HB2 HIS 85 HB2 HIS 85 -1.980 -3.707 4.245 607 HB3 HIS 85 HB1 HIS 85 -0.588 -4.580 3.625 608 HD1 HIS 85 HD1 HIS 85 -3.187 -4.921 6.019 609 HD2 HIS 85 HD2 HIS 85 0.881 -5.851 5.979 610 HE1 HIS 85 HE1 HIS 85 -2.856 -6.665 7.804 611 HE2 HIS 85 HE2 HIS 85 -0.454 -7.403 7.551 612 H THR 86 HN THR 86 -1.403 -0.711 4.309 613 HA THR 86 HA THR 86 -1.602 0.172 7.060 614 HB THR 86 HB THR 86 -2.868 2.076 6.115 615 HG1 THR 86 HG1 THR 86 -3.877 1.003 4.381 616 HG21 THR 86 HG21 THR 86 -1.083 3.121 4.919 617 HG22 THR 86 HG22 THR 86 -0.413 1.565 4.447 618 HG23 THR 86 HG23 THR 86 -0.355 2.071 6.136 619 H LYS 87 HN LYS 87 -3.679 0.600 8.080 620 HA LYS 87 HA LYS 87 -5.591 -1.462 7.777 621 HB2 LYS 87 HB2 LYS 87 -5.740 1.197 9.206 622 HB3 LYS 87 HB1 LYS 87 -7.012 -0.012 9.273 623 HG2 LYS 87 HG2 LYS 87 -5.432 -1.605 10.268 624 HG3 LYS 87 HG1 LYS 87 -4.177 -0.365 10.225 625 HD2 LYS 87 HD2 LYS 87 -5.201 -0.541 12.445 626 HD3 LYS 87 HD1 LYS 87 -5.485 1.039 11.719 627 HE2 LYS 87 HE2 LYS 87 -7.492 0.177 12.820 628 HE3 LYS 87 HE1 LYS 87 -7.735 0.365 11.086 629 HZ1 LYS 87 HZ1 LYS 87 -7.171 -2.183 12.507 630 HZ2 LYS 87 HZ2 LYS 87 -7.346 -2.023 10.832 631 HZ3 LYS 87 HZ3 LYS 87 -8.657 -1.710 11.849 632 H LEU 88 HN LEU 88 -7.711 -1.365 6.983 633 HA LEU 88 HA LEU 88 -8.009 0.136 4.576 634 HB2 LEU 88 HB2 LEU 88 -8.896 -2.214 5.135 635 HB3 LEU 88 HB1 LEU 88 -10.174 -1.401 6.009 636 HG LEU 88 HG LEU 88 -10.754 -2.191 3.692 637 HD11 LEU 88 HD11 LEU 88 -12.131 -0.540 4.774 638 HD12 LEU 88 HD12 LEU 88 -11.970 -0.156 3.061 639 HD13 LEU 88 HD13 LEU 88 -11.044 0.749 4.259 640 HD21 LEU 88 HD21 LEU 88 -10.000 -0.890 1.791 641 HD22 LEU 88 HD22 LEU 88 -8.619 -1.600 2.624 642 HD23 LEU 88 HD23 LEU 88 -8.997 0.107 2.841 643 H ILE 89 HN ILE 89 -8.349 2.265 4.705 644 HA ILE 89 HA ILE 89 -9.866 3.300 6.991 645 HB ILE 89 HB ILE 89 -8.842 5.502 6.379 646 HG12 ILE 89 HG12 ILE 89 -7.106 3.795 4.578 647 HG13 ILE 89 HG11 ILE 89 -8.317 4.943 4.019 648 HG21 ILE 89 HG21 ILE 89 -6.651 4.947 7.341 649 HG22 ILE 89 HG22 ILE 89 -6.977 3.236 7.065 650 HG23 ILE 89 HG23 ILE 89 -7.976 4.154 8.193 651 HD11 ILE 89 HD11 ILE 89 -5.822 5.588 5.570 652 HD12 ILE 89 HD12 ILE 89 -7.044 6.758 5.075 653 HD13 ILE 89 HD13 ILE 89 -6.107 5.894 3.857 654 H GLY 90 HN GLY 90 -11.506 4.730 6.791 655 HA2 GLY 90 HA2 GLY 90 -12.790 4.872 4.168 656 HA3 GLY 90 HA1 GLY 90 -13.548 5.226 5.716 657 H GLY 91 HN GLY 91 -14.346 7.182 4.818 658 HA2 GLY 91 HA2 GLY 91 -12.575 9.115 3.673 659 HA3 GLY 91 HA1 GLY 91 -14.265 9.362 4.079 660 H GLY 92 HN GLY 92 -11.305 10.495 4.674 661 HA2 GLY 92 HA2 GLY 92 -10.896 12.304 6.114 662 HA3 GLY 92 HA1 GLY 92 -12.254 11.792 7.109 663 H GLU 93 HN GLU 93 -10.498 9.082 6.468 664 HA GLU 93 HA GLU 93 -9.078 9.346 9.030 665 HB2 GLU 93 HB2 GLU 93 -10.167 6.893 7.644 666 HB3 GLU 93 HB1 GLU 93 -9.185 6.848 9.104 667 HG2 GLU 93 HG2 GLU 93 -11.848 8.236 8.861 668 HG3 GLU 93 HG1 GLU 93 -11.602 6.630 9.538 669 H GLU 94 HN GLU 94 -7.123 7.850 9.172 670 HA GLU 94 HA GLU 94 -5.647 7.622 6.684 671 HB2 GLU 94 HB2 GLU 94 -3.779 9.020 7.522 672 HB3 GLU 94 HB1 GLU 94 -5.256 9.948 7.287 673 HG2 GLU 94 HG2 GLU 94 -5.690 9.736 9.730 674 HG3 GLU 94 HG1 GLU 94 -4.099 8.989 9.889 675 H SER 95 HN SER 95 -3.613 6.473 6.957 676 HA SER 95 HA SER 95 -3.097 5.225 9.520 677 HB2 SER 95 HB2 SER 95 -4.851 3.780 8.485 678 HB3 SER 95 HB1 SER 95 -3.780 3.515 7.109 679 HG SER 95 HG SER 95 -3.503 2.647 9.779 680 H SER 96 HN SER 96 -1.055 3.939 9.441 681 HA SER 96 HA SER 96 0.680 4.687 7.200 682 HB2 SER 96 HB2 SER 96 1.379 5.146 10.116 683 HB3 SER 96 HB1 SER 96 2.432 5.459 8.736 684 HG SER 96 HG SER 96 -0.108 6.680 9.019 685 H LEU 97 HN LEU 97 2.582 3.408 7.009 686 HA LEU 97 HA LEU 97 2.746 1.066 8.769 687 HB2 LEU 97 HB2 LEU 97 3.238 -0.384 6.846 688 HB3 LEU 97 HB1 LEU 97 1.622 0.284 6.779 689 HG LEU 97 HG LEU 97 2.649 2.050 5.174 690 HD11 LEU 97 HD11 LEU 97 4.722 -0.129 4.942 691 HD12 LEU 97 HD12 LEU 97 4.999 1.496 5.562 692 HD13 LEU 97 HD13 LEU 97 4.555 1.260 3.871 693 HD21 LEU 97 HD21 LEU 97 1.056 0.278 4.532 694 HD22 LEU 97 HD22 LEU 97 2.413 -0.813 4.262 695 HD23 LEU 97 HD23 LEU 97 2.230 0.630 3.266 696 H THR 98 HN THR 98 4.865 0.063 8.784 697 HA THR 98 HA THR 98 7.021 1.760 7.732 698 HB THR 98 HB THR 98 8.310 0.941 9.834 699 HG1 THR 98 HG1 THR 98 7.075 -0.254 11.067 700 HG21 THR 98 HG21 THR 98 7.557 2.898 11.120 701 HG22 THR 98 HG22 THR 98 6.168 3.055 10.043 702 HG23 THR 98 HG23 THR 98 7.803 3.277 9.415 703 H LEU 99 HN LEU 99 8.767 0.677 6.901 704 HA LEU 99 HA LEU 99 8.906 -2.218 7.204 705 HB2 LEU 99 HB2 LEU 99 9.056 -2.561 4.765 706 HB3 LEU 99 HB1 LEU 99 7.486 -1.968 5.272 707 HG LEU 99 HG LEU 99 8.528 0.371 4.618 708 HD11 LEU 99 HD11 LEU 99 10.086 -1.556 2.900 709 HD12 LEU 99 HD12 LEU 99 10.757 -0.460 4.106 710 HD13 LEU 99 HD13 LEU 99 9.987 0.187 2.657 711 HD21 LEU 99 HD21 LEU 99 6.542 -0.544 3.620 712 HD22 LEU 99 HD22 LEU 99 7.499 -1.669 2.657 713 HD23 LEU 99 HD23 LEU 99 7.603 0.065 2.349 714 H ASP 100 HN ASP 100 10.900 -3.125 6.335 715 HA ASP 100 HA ASP 100 13.133 -1.290 6.717 716 HB2 ASP 100 HB2 ASP 100 12.948 -3.547 7.886 717 HB3 ASP 100 HB1 ASP 100 13.266 -4.279 6.318 718 HA PRO 101 HA PRO 101 13.501 -0.825 2.292 719 HB2 PRO 101 HB2 PRO 101 16.233 0.071 2.996 720 HB3 PRO 101 HB1 PRO 101 14.981 0.900 2.068 721 HG2 PRO 101 HG2 PRO 101 15.574 1.649 4.560 722 HG3 PRO 101 HG1 PRO 101 13.902 1.680 3.959 723 HD2 PRO 101 HD2 PRO 101 15.243 -0.288 5.774 724 HD3 PRO 101 HD1 PRO 101 13.582 0.347 5.821 725 H ALA 102 HN ALA 102 15.780 -2.614 4.270 726 HA ALA 102 HA ALA 102 17.353 -3.560 2.067 727 HB1 ALA 102 HB1 ALA 102 17.165 -4.635 4.876 728 HB2 ALA 102 HB2 ALA 102 18.280 -3.386 4.324 729 HB3 ALA 102 HB3 ALA 102 18.412 -5.026 3.691 730 H LYS 103 HN LYS 103 14.352 -4.418 3.417 731 HA LYS 103 HA LYS 103 14.360 -7.165 2.557 732 HB2 LYS 103 HB2 LYS 103 12.131 -5.332 3.455 733 HB3 LYS 103 HB1 LYS 103 11.905 -7.029 3.063 734 HG2 LYS 103 HG2 LYS 103 13.765 -6.035 5.209 735 HG3 LYS 103 HG1 LYS 103 12.097 -6.539 5.494 736 HD2 LYS 103 HD2 LYS 103 12.647 -8.762 4.569 737 HD3 LYS 103 HD1 LYS 103 14.326 -8.247 4.386 738 HE2 LYS 103 HE2 LYS 103 14.515 -7.925 6.783 739 HE3 LYS 103 HE1 LYS 103 12.814 -8.336 6.994 740 HZ1 LYS 103 HZ1 LYS 103 14.916 -10.159 5.965 741 HZ2 LYS 103 HZ2 LYS 103 13.287 -10.556 6.164 742 HZ3 LYS 103 HZ3 LYS 103 14.243 -10.208 7.514 743 H LEU 104 HN LEU 104 13.802 -4.112 1.125 744 HA LEU 104 HA LEU 104 12.064 -5.126 -0.956 745 HB2 LEU 104 HB2 LEU 104 13.351 -2.414 -0.660 746 HB3 LEU 104 HB1 LEU 104 12.106 -2.836 -1.825 747 HG LEU 104 HG LEU 104 11.821 -2.636 1.175 748 HD11 LEU 104 HD11 LEU 104 10.510 -1.147 -1.095 749 HD12 LEU 104 HD12 LEU 104 11.765 -0.525 -0.025 750 HD13 LEU 104 HD13 LEU 104 10.175 -0.922 0.622 751 HD21 LEU 104 HD21 LEU 104 10.555 -4.571 0.454 752 HD22 LEU 104 HD22 LEU 104 9.817 -3.639 -0.847 753 HD23 LEU 104 HD23 LEU 104 9.455 -3.247 0.833 754 H ALA 105 HN ALA 105 15.311 -5.186 -0.381 755 HA ALA 105 HA ALA 105 16.137 -4.854 -3.150 756 HB1 ALA 105 HB1 ALA 105 18.404 -5.224 -2.301 757 HB2 ALA 105 HB2 ALA 105 17.746 -5.570 -0.701 758 HB3 ALA 105 HB3 ALA 105 17.574 -3.958 -1.395 759 H ASP 106 HN ASP 106 14.634 -7.208 -1.540 760 HA ASP 106 HA ASP 106 16.215 -9.415 -2.633 761 HB2 ASP 106 HB2 ASP 106 15.537 -9.572 -0.273 762 HB3 ASP 106 HB1 ASP 106 13.846 -9.466 -0.748 763 H GLY 107 HN GLY 107 13.608 -7.494 -3.519 764 HA2 GLY 107 HA2 GLY 107 12.893 -9.303 -5.640 765 HA3 GLY 107 HA1 GLY 107 11.628 -9.110 -4.436 766 H ASP 108 HN ASP 108 10.664 -8.425 -6.594 767 HA ASP 108 HA ASP 108 10.976 -5.516 -6.926 768 HB2 ASP 108 HB2 ASP 108 11.314 -6.760 -9.005 769 HB3 ASP 108 HB1 ASP 108 9.776 -7.587 -8.782 770 H TYR 109 HN TYR 109 9.500 -4.395 -5.841 771 HA TYR 109 HA TYR 109 7.093 -5.832 -4.978 772 HB2 TYR 109 HB2 TYR 109 8.577 -3.530 -3.702 773 HB3 TYR 109 HB1 TYR 109 7.055 -4.175 -3.100 774 HD1 TYR 109 HD1 TYR 109 10.599 -5.007 -3.735 775 HD2 TYR 109 HD2 TYR 109 7.006 -6.126 -1.759 776 HE1 TYR 109 HE1 TYR 109 11.842 -6.674 -2.425 777 HE2 TYR 109 HE2 TYR 109 8.234 -7.793 -0.448 778 HH TYR 109 HH TYR 109 10.362 -9.139 -0.712 779 H LYS 110 HN LYS 110 5.114 -4.938 -5.020 780 HA LYS 110 HA LYS 110 4.806 -2.387 -6.469 781 HB2 LYS 110 HB2 LYS 110 3.027 -4.837 -6.432 782 HB3 LYS 110 HB1 LYS 110 2.500 -3.279 -7.053 783 HG2 LYS 110 HG2 LYS 110 4.240 -3.367 -8.761 784 HG3 LYS 110 HG1 LYS 110 4.777 -4.932 -8.135 785 HD2 LYS 110 HD2 LYS 110 2.650 -5.926 -8.673 786 HD3 LYS 110 HD1 LYS 110 1.992 -4.357 -9.144 787 HE2 LYS 110 HE2 LYS 110 3.614 -4.239 -10.975 788 HE3 LYS 110 HE1 LYS 110 4.249 -5.817 -10.508 789 HZ1 LYS 110 HZ1 LYS 110 2.709 -6.045 -12.327 790 HZ2 LYS 110 HZ2 LYS 110 1.497 -5.246 -11.461 791 HZ3 LYS 110 HZ3 LYS 110 2.044 -6.758 -10.946 792 H PHE 111 HN PHE 111 3.187 -0.975 -5.690 793 HA PHE 111 HA PHE 111 2.011 -1.761 -3.112 794 HB2 PHE 111 HB2 PHE 111 1.967 0.516 -2.396 795 HB3 PHE 111 HB1 PHE 111 3.591 0.212 -2.990 796 HD1 PHE 111 HD2 PHE 111 4.367 1.244 -5.057 797 HD2 PHE 111 HD1 PHE 111 0.490 2.053 -3.495 798 HE1 PHE 111 HE2 PHE 111 4.188 3.214 -6.519 799 HE2 PHE 111 HE1 PHE 111 0.308 4.027 -4.954 800 HZ PHE 111 HZ PHE 111 2.159 4.608 -6.466 801 H ALA 112 HN ALA 112 -0.194 -1.504 -2.865 802 HA ALA 112 HA ALA 112 -1.761 -0.367 -5.001 803 HB1 ALA 112 HB1 ALA 112 -1.843 -3.352 -4.596 804 HB2 ALA 112 HB2 ALA 112 -1.059 -2.540 -5.950 805 HB3 ALA 112 HB3 ALA 112 -2.807 -2.415 -5.736 806 H CYS 113 HN CYS 113 -4.069 -0.731 -4.686 807 HA CYS 113 HA CYS 113 -4.792 -0.933 -1.851 808 HB2 CYS 113 HB2 CYS 113 -5.494 1.063 -3.270 809 HB3 CYS 113 HB1 CYS 113 -6.516 -0.042 -4.181 810 H THR 114 HN THR 114 -5.777 -2.767 -1.140 811 HA THR 114 HA THR 114 -6.296 -4.797 -3.185 812 HB THR 114 HB THR 114 -6.286 -6.424 -1.298 813 HG1 THR 114 HG1 THR 114 -6.266 -5.717 0.688 814 HG21 THR 114 HG21 THR 114 -3.863 -6.290 -0.865 815 HG22 THR 114 HG22 THR 114 -3.849 -4.659 -1.535 816 HG23 THR 114 HG23 THR 114 -4.249 -6.032 -2.566 817 H PHE 115 HN PHE 115 -8.103 -2.526 -2.007 818 HA PHE 115 HA PHE 115 -10.411 -3.817 -1.018 819 HB2 PHE 115 HB2 PHE 115 -9.946 -1.335 -0.952 820 HB3 PHE 115 HB1 PHE 115 -10.311 -1.279 -2.672 821 HD1 PHE 115 HD1 PHE 115 -11.688 -1.722 0.683 822 HD2 PHE 115 HD2 PHE 115 -12.588 -1.473 -3.466 823 HE1 PHE 115 HE1 PHE 115 -14.066 -1.422 1.222 824 HE2 PHE 115 HE2 PHE 115 -14.971 -1.177 -2.935 825 HZ PHE 115 HZ PHE 115 -15.711 -1.147 -0.586 826 HA PRO 116 HA PRO 116 -11.741 -6.171 -4.537 827 HB2 PRO 116 HB2 PRO 116 -14.455 -5.378 -3.581 828 HB3 PRO 116 HB1 PRO 116 -13.824 -6.984 -3.968 829 HG2 PRO 116 HG2 PRO 116 -14.125 -6.231 -1.440 830 HG3 PRO 116 HG1 PRO 116 -12.715 -7.183 -1.943 831 HD2 PRO 116 HD2 PRO 116 -12.907 -4.273 -1.294 832 HD3 PRO 116 HD1 PRO 116 -11.580 -5.418 -0.993 833 H GLY 117 HN GLY 117 -11.383 -5.166 -6.433 834 HA2 GLY 117 HA2 GLY 117 -12.448 -4.238 -8.383 835 HA3 GLY 117 HA1 GLY 117 -13.423 -3.231 -7.318 836 H HIS 118 HN HIS 118 -10.589 -2.980 -5.884 837 HA HIS 118 HA HIS 118 -9.879 -0.576 -7.415 838 HB2 HIS 118 HB2 HIS 118 -9.302 -1.383 -4.559 839 HB3 HIS 118 HB1 HIS 118 -8.615 0.043 -5.320 840 HD2 HIS 118 HD2 HIS 118 -12.267 -0.334 -6.301 841 HE1 HIS 118 HE1 HIS 118 -12.115 2.287 -2.980 842 HE2 HIS 118 HE2 HIS 118 -13.510 1.492 -4.944 843 H GLY 119 HN GLY 119 -8.775 -3.725 -6.736 844 HA2 GLY 119 HA2 GLY 119 -6.025 -3.275 -6.336 845 HA3 GLY 119 HA1 GLY 119 -6.757 -4.804 -6.793 846 H ALA 120 HN ALA 120 -7.819 -3.849 -9.333 847 HA ALA 120 HA ALA 120 -5.366 -4.269 -10.807 848 HB1 ALA 120 HB1 ALA 120 -7.382 -5.541 -11.372 849 HB2 ALA 120 HB2 ALA 120 -6.798 -4.595 -12.741 850 HB3 ALA 120 HB3 ALA 120 -8.195 -4.042 -11.820 851 H LEU 121 HN LEU 121 -7.150 -1.606 -9.807 852 HA LEU 121 HA LEU 121 -6.219 0.036 -12.057 853 HB2 LEU 121 HB2 LEU 121 -8.626 0.124 -11.577 854 HB3 LEU 121 HB1 LEU 121 -8.282 0.635 -9.932 855 HG LEU 121 HG LEU 121 -7.180 2.685 -10.913 856 HD11 LEU 121 HD11 LEU 121 -6.788 1.891 -13.158 857 HD12 LEU 121 HD12 LEU 121 -7.851 3.297 -13.199 858 HD13 LEU 121 HD13 LEU 121 -8.520 1.680 -13.416 859 HD21 LEU 121 HD21 LEU 121 -9.397 2.755 -9.917 860 HD22 LEU 121 HD22 LEU 121 -10.116 2.265 -11.451 861 HD23 LEU 121 HD23 LEU 121 -9.306 3.825 -11.315 862 H MET 122 HN MET 122 -6.337 -0.042 -8.507 863 HA MET 122 HA MET 122 -4.625 2.323 -8.403 864 HB2 MET 122 HB2 MET 122 -5.858 0.849 -6.073 865 HB3 MET 122 HB1 MET 122 -5.242 2.498 -6.096 866 HG2 MET 122 HG2 MET 122 -7.033 3.102 -7.676 867 HG3 MET 122 HG1 MET 122 -7.673 1.470 -7.535 868 HE1 MET 122 HE1 MET 122 -10.436 3.233 -5.656 869 HE2 MET 122 HE2 MET 122 -9.966 2.083 -6.904 870 HE3 MET 122 HE3 MET 122 -9.611 3.797 -7.105 871 H ASN 123 HN ASN 123 -2.761 1.226 -9.190 872 HA ASN 123 HA ASN 123 -1.221 0.100 -7.019 873 HB2 ASN 123 HB2 ASN 123 -0.385 -1.793 -8.452 874 HB3 ASN 123 HB1 ASN 123 -2.064 -1.951 -7.939 875 HD21 ASN 123 HD21 ASN 123 -3.675 -1.893 -9.443 876 HD22 ASN 123 HD22 ASN 123 -3.378 -1.927 -11.148 877 H GLY 124 HN GLY 124 1.038 0.051 -7.430 878 HA2 GLY 124 HA2 GLY 124 2.103 1.170 -9.870 879 HA3 GLY 124 HA1 GLY 124 2.221 2.250 -8.481 880 H LYS 125 HN LYS 125 4.604 1.935 -8.993 881 HA LYS 125 HA LYS 125 5.587 -0.640 -7.964 882 HB2 LYS 125 HB2 LYS 125 6.974 1.402 -9.702 883 HB3 LYS 125 HB1 LYS 125 7.725 -0.061 -9.088 884 HG2 LYS 125 HG2 LYS 125 5.437 0.127 -11.031 885 HG3 LYS 125 HG1 LYS 125 7.080 -0.422 -11.360 886 HD2 LYS 125 HD2 LYS 125 5.064 -1.779 -9.573 887 HD3 LYS 125 HD1 LYS 125 5.566 -2.316 -11.174 888 HE2 LYS 125 HE2 LYS 125 7.376 -2.077 -8.772 889 HE3 LYS 125 HE1 LYS 125 6.658 -3.576 -9.351 890 HZ1 LYS 125 HZ1 LYS 125 8.580 -1.867 -10.834 891 HZ2 LYS 125 HZ2 LYS 125 7.849 -3.261 -11.451 892 HZ3 LYS 125 HZ3 LYS 125 8.908 -3.375 -10.131 893 H VAL 126 HN VAL 126 7.003 -0.755 -6.293 894 HA VAL 126 HA VAL 126 7.486 1.718 -4.800 895 HB VAL 126 HB VAL 126 7.874 -1.169 -3.972 896 HG11 VAL 126 HG11 VAL 126 9.459 0.311 -2.844 897 HG12 VAL 126 HG12 VAL 126 8.239 -0.282 -1.717 898 HG13 VAL 126 HG13 VAL 126 8.133 1.362 -2.345 899 HG21 VAL 126 HG21 VAL 126 5.770 0.851 -3.208 900 HG22 VAL 126 HG22 VAL 126 5.959 -0.745 -2.481 901 HG23 VAL 126 HG23 VAL 126 5.530 -0.597 -4.185 902 H THR 127 HN THR 127 9.321 2.720 -5.283 903 HA THR 127 HA THR 127 11.470 1.178 -6.521 904 HB THR 127 HB THR 127 11.243 4.181 -6.319 905 HG1 THR 127 HG1 THR 127 9.938 2.341 -7.949 906 HG21 THR 127 HG21 THR 127 12.771 2.380 -8.204 907 HG22 THR 127 HG22 THR 127 13.467 3.306 -6.875 908 HG23 THR 127 HG23 THR 127 12.749 4.143 -8.252 909 H LEU 128 HN LEU 128 12.928 0.423 -5.138 910 HA LEU 128 HA LEU 128 13.686 1.817 -2.745 911 HB2 LEU 128 HB2 LEU 128 13.753 -0.668 -2.970 912 HB3 LEU 128 HB1 LEU 128 15.038 -0.495 -4.151 913 HG LEU 128 HG LEU 128 16.458 0.548 -2.389 914 HD11 LEU 128 HD11 LEU 128 15.771 0.239 -0.041 915 HD12 LEU 128 HD12 LEU 128 14.171 -0.245 -0.597 916 HD13 LEU 128 HD13 LEU 128 14.755 1.389 -0.905 917 HD21 LEU 128 HD21 LEU 128 16.662 -1.815 -2.927 918 HD22 LEU 128 HD22 LEU 128 15.385 -2.200 -1.774 919 HD23 LEU 128 HD23 LEU 128 16.918 -1.540 -1.204 920 H VAL 129 HN VAL 129 15.055 3.473 -2.680 921 HA VAL 129 HA VAL 129 16.835 3.861 -4.995 922 HB VAL 129 HB VAL 129 16.675 6.280 -4.649 923 HG11 VAL 129 HG11 VAL 129 15.173 5.272 -6.250 924 HG12 VAL 129 HG12 VAL 129 14.347 6.587 -5.410 925 HG13 VAL 129 HG13 VAL 129 14.008 4.911 -4.975 926 HG21 VAL 129 HG21 VAL 129 16.201 6.296 -2.257 927 HG22 VAL 129 HG22 VAL 129 14.600 5.618 -2.559 928 HG23 VAL 129 HG23 VAL 129 15.001 7.232 -3.147 929 H ASP 130 HN ASP 130 18.801 4.996 -4.595 930 HA ASP 130 HA ASP 130 19.791 4.682 -1.838 931 HB2 ASP 130 HB2 ASP 130 20.842 3.017 -3.244 932 HB3 ASP 130 HB1 ASP 130 21.253 4.236 -4.450 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 18.323 15.719 -1.620 2 H2 ALA 1 HT2 ALA 1 18.733 14.499 -2.713 3 H3 ALA 1 HT3 ALA 1 19.192 14.369 -1.093 4 HA ALA 1 HA ALA 1 16.935 14.156 -0.391 5 HB1 ALA 1 HB1 ALA 1 15.941 15.624 -2.065 6 HB2 ALA 1 HB2 ALA 1 15.120 14.063 -2.030 7 HB3 ALA 1 HB3 ALA 1 16.266 14.429 -3.320 8 H THR 2 HN THR 2 19.149 12.489 -0.884 9 HA THR 2 HA THR 2 18.137 10.204 -2.383 10 HB THR 2 HB THR 2 20.420 9.234 -1.799 11 HG1 THR 2 HG1 THR 2 21.698 10.398 -0.578 12 HG21 THR 2 HG21 THR 2 19.896 10.210 -3.992 13 HG22 THR 2 HG22 THR 2 21.560 10.549 -3.517 14 HG23 THR 2 HG23 THR 2 20.332 11.806 -3.382 15 H ALA 3 HN ALA 3 19.370 10.903 0.894 16 HA ALA 3 HA ALA 3 17.801 8.589 1.843 17 HB1 ALA 3 HB1 ALA 3 19.521 8.104 3.480 18 HB2 ALA 3 HB2 ALA 3 20.472 9.483 2.929 19 HB3 ALA 3 HB3 ALA 3 20.220 8.105 1.860 20 H GLY 4 HN GLY 4 17.855 11.810 1.833 21 HA2 GLY 4 HA2 GLY 4 17.394 12.253 4.676 22 HA3 GLY 4 HA1 GLY 4 17.437 13.484 3.421 23 H ASN 5 HN ASN 5 15.534 10.508 3.620 24 HA ASN 5 HA ASN 5 13.109 11.861 4.284 25 HB2 ASN 5 HB2 ASN 5 13.452 12.398 1.807 26 HB3 ASN 5 HB1 ASN 5 13.202 10.681 1.505 27 HD21 ASN 5 HD21 ASN 5 11.313 11.014 0.333 28 HD22 ASN 5 HD22 ASN 5 9.840 11.514 1.091 29 H CYS 6 HN CYS 6 12.732 10.346 5.818 30 HA CYS 6 HA CYS 6 12.742 7.524 5.002 31 HB2 CYS 6 HB2 CYS 6 12.799 8.757 7.765 32 HB3 CYS 6 HB1 CYS 6 12.816 7.027 7.428 33 H ALA 7 HN ALA 7 10.602 9.708 4.710 34 HA ALA 7 HA ALA 7 8.378 8.004 5.396 35 HB1 ALA 7 HB1 ALA 7 8.584 10.761 6.607 36 HB2 ALA 7 HB2 ALA 7 8.692 9.237 7.486 37 HB3 ALA 7 HB3 ALA 7 7.182 9.695 6.697 38 H ALA 8 HN ALA 8 6.539 8.461 4.194 39 HA ALA 8 HA ALA 8 6.543 10.827 2.485 40 HB1 ALA 8 HB1 ALA 8 7.723 9.140 1.164 41 HB2 ALA 8 HB2 ALA 8 6.158 9.531 0.451 42 HB3 ALA 8 HB3 ALA 8 6.364 8.032 1.359 43 H THR 9 HN THR 9 4.497 11.486 1.884 44 HA THR 9 HA THR 9 2.299 9.978 3.113 45 HB THR 9 HB THR 9 2.232 12.872 2.254 46 HG1 THR 9 HG1 THR 9 3.599 11.841 4.267 47 HG21 THR 9 HG21 THR 9 0.484 11.274 4.130 48 HG22 THR 9 HG22 THR 9 0.052 11.773 2.495 49 HG23 THR 9 HG23 THR 9 0.298 12.985 3.751 50 H VAL 10 HN VAL 10 0.786 9.114 1.881 51 HA VAL 10 HA VAL 10 0.565 10.002 -0.926 52 HB VAL 10 HB VAL 10 0.068 7.220 0.166 53 HG11 VAL 10 HG11 VAL 10 -0.057 8.257 -2.666 54 HG12 VAL 10 HG12 VAL 10 -1.436 7.788 -1.672 55 HG13 VAL 10 HG13 VAL 10 -0.257 6.575 -2.172 56 HG21 VAL 10 HG21 VAL 10 2.006 6.553 -1.168 57 HG22 VAL 10 HG22 VAL 10 2.450 7.745 0.052 58 HG23 VAL 10 HG23 VAL 10 2.269 8.233 -1.632 59 H GLU 11 HN GLU 11 -1.442 10.602 -1.573 60 HA GLU 11 HA GLU 11 -3.583 10.298 0.405 61 HB2 GLU 11 HB2 GLU 11 -3.361 12.304 -1.847 62 HB3 GLU 11 HB1 GLU 11 -4.675 12.210 -0.683 63 HG2 GLU 11 HG2 GLU 11 -3.096 12.705 1.128 64 HG3 GLU 11 HG1 GLU 11 -1.795 12.841 -0.055 65 H SER 12 HN SER 12 -5.496 9.443 -0.111 66 HA SER 12 HA SER 12 -5.916 8.537 -2.875 67 HB2 SER 12 HB2 SER 12 -7.317 6.684 -1.758 68 HB3 SER 12 HB1 SER 12 -5.566 6.531 -1.639 69 HG SER 12 HG SER 12 -5.857 6.495 0.431 70 H ASN 13 HN ASN 13 -7.948 8.945 -3.723 71 HA ASN 13 HA ASN 13 -9.658 10.620 -2.009 72 HB2 ASN 13 HB2 ASN 13 -10.011 12.132 -3.872 73 HB3 ASN 13 HB1 ASN 13 -8.285 11.962 -3.586 74 HD21 ASN 13 HD21 ASN 13 -9.342 12.926 -5.945 75 HD22 ASN 13 HD22 ASN 13 -8.976 11.809 -7.217 76 H ASP 14 HN ASP 14 -11.771 11.111 -3.458 77 HA ASP 14 HA ASP 14 -13.130 8.586 -3.493 78 HB2 ASP 14 HB2 ASP 14 -15.133 9.943 -3.947 79 HB3 ASP 14 HB1 ASP 14 -14.205 10.598 -2.602 80 H ASN 15 HN ASN 15 -11.209 9.916 -5.744 81 HA ASN 15 HA ASN 15 -12.856 9.077 -8.018 82 HB2 ASN 15 HB2 ASN 15 -10.219 10.562 -7.980 83 HB3 ASN 15 HB1 ASN 15 -11.128 10.147 -9.429 84 HD21 ASN 15 HD21 ASN 15 -13.716 10.712 -8.183 85 HD22 ASN 15 HD22 ASN 15 -13.825 12.435 -8.085 86 H MET 16 HN MET 16 -10.978 7.671 -5.877 87 HA MET 16 HA MET 16 -9.840 5.719 -5.739 88 HB2 MET 16 HB2 MET 16 -10.945 5.314 -8.523 89 HB3 MET 16 HB1 MET 16 -10.142 4.069 -7.583 90 HG2 MET 16 HG2 MET 16 -11.893 4.236 -5.881 91 HG3 MET 16 HG1 MET 16 -12.705 5.459 -6.855 92 HE1 MET 16 HE1 MET 16 -13.679 3.388 -10.053 93 HE2 MET 16 HE2 MET 16 -12.144 4.226 -9.830 94 HE3 MET 16 HE3 MET 16 -13.646 4.982 -9.300 95 H GLN 17 HN GLN 17 -8.288 7.907 -6.358 96 HA GLN 17 HA GLN 17 -6.275 6.717 -8.132 97 HB2 GLN 17 HB2 GLN 17 -7.551 8.444 -9.371 98 HB3 GLN 17 HB1 GLN 17 -7.098 9.624 -8.151 99 HG2 GLN 17 HG2 GLN 17 -5.705 9.861 -10.103 100 HG3 GLN 17 HG1 GLN 17 -4.746 9.316 -8.727 101 HE21 GLN 17 HE21 GLN 17 -6.870 7.210 -10.547 102 HE22 GLN 17 HE22 GLN 17 -5.618 6.266 -11.275 103 H PHE 18 HN PHE 18 -4.367 6.574 -7.191 104 HA PHE 18 HA PHE 18 -3.736 7.878 -4.722 105 HB2 PHE 18 HB2 PHE 18 -2.117 6.215 -6.657 106 HB3 PHE 18 HB1 PHE 18 -1.403 6.934 -5.222 107 HD1 PHE 18 HD2 PHE 18 -3.196 6.484 -3.099 108 HD2 PHE 18 HD1 PHE 18 -2.378 3.952 -6.421 109 HE1 PHE 18 HE2 PHE 18 -3.932 4.539 -1.790 110 HE2 PHE 18 HE1 PHE 18 -3.121 2.000 -5.120 111 HZ PHE 18 HZ PHE 18 -3.722 2.249 -2.773 112 H ASN 19 HN ASN 19 -2.346 9.583 -4.364 113 HA ASN 19 HA ASN 19 -2.020 11.595 -6.269 114 HB2 ASN 19 HB2 ASN 19 -0.642 11.001 -3.668 115 HB3 ASN 19 HB1 ASN 19 -0.101 12.339 -4.679 116 HD21 ASN 19 HD21 ASN 19 -0.665 13.788 -3.043 117 HD22 ASN 19 HD22 ASN 19 -2.313 14.223 -2.744 118 H THR 20 HN THR 20 -0.072 8.797 -5.609 119 HA THR 20 HA THR 20 1.625 9.458 -7.876 120 HB THR 20 HB THR 20 2.899 10.309 -5.977 121 HG1 THR 20 HG1 THR 20 4.686 8.572 -6.180 122 HG21 THR 20 HG21 THR 20 1.914 8.959 -4.194 123 HG22 THR 20 HG22 THR 20 3.671 8.808 -4.192 124 HG23 THR 20 HG23 THR 20 2.675 7.513 -4.856 125 H LYS 21 HN LYS 21 2.633 7.633 -8.816 126 HA LYS 21 HA LYS 21 1.563 5.054 -7.883 127 HB2 LYS 21 HB2 LYS 21 2.128 5.968 -10.708 128 HB3 LYS 21 HB1 LYS 21 1.714 4.314 -10.266 129 HG2 LYS 21 HG2 LYS 21 -0.440 5.081 -9.396 130 HG3 LYS 21 HG1 LYS 21 -0.028 6.739 -9.838 131 HD2 LYS 21 HD2 LYS 21 -1.490 5.735 -11.505 132 HD3 LYS 21 HD1 LYS 21 0.098 6.072 -12.193 133 HE2 LYS 21 HE2 LYS 21 0.726 3.752 -11.996 134 HE3 LYS 21 HE1 LYS 21 -0.777 3.379 -11.155 135 HZ1 LYS 21 HZ1 LYS 21 -1.997 3.957 -13.154 136 HZ2 LYS 21 HZ2 LYS 21 -0.873 2.739 -13.477 137 HZ3 LYS 21 HZ3 LYS 21 -0.557 4.328 -13.958 138 H ASP 22 HN ASP 22 4.165 6.749 -7.633 139 HA ASP 22 HA ASP 22 5.896 4.398 -7.665 140 HB2 ASP 22 HB2 ASP 22 6.606 5.333 -9.708 141 HB3 ASP 22 HB1 ASP 22 6.456 6.979 -9.109 142 H ILE 23 HN ILE 23 6.989 4.227 -5.829 143 HA ILE 23 HA ILE 23 7.405 6.657 -4.207 144 HB ILE 23 HB ILE 23 6.679 3.887 -3.229 145 HG12 ILE 23 HG12 ILE 23 5.272 6.539 -2.818 146 HG13 ILE 23 HG11 ILE 23 4.810 5.354 -4.039 147 HG21 ILE 23 HG21 ILE 23 7.417 6.320 -1.602 148 HG22 ILE 23 HG22 ILE 23 8.411 4.880 -1.812 149 HG23 ILE 23 HG23 ILE 23 6.871 4.768 -0.963 150 HD11 ILE 23 HD11 ILE 23 3.364 5.151 -2.141 151 HD12 ILE 23 HD12 ILE 23 4.740 5.003 -1.052 152 HD13 ILE 23 HD13 ILE 23 4.396 3.724 -2.218 153 H GLN 24 HN GLN 24 9.462 7.028 -3.702 154 HA GLN 24 HA GLN 24 11.423 4.970 -4.370 155 HB2 GLN 24 HB2 GLN 24 11.705 7.927 -3.861 156 HB3 GLN 24 HB1 GLN 24 13.077 6.849 -4.076 157 HG2 GLN 24 HG2 GLN 24 12.214 6.254 -6.311 158 HG3 GLN 24 HG1 GLN 24 10.926 7.440 -6.097 159 HE21 GLN 24 HE21 GLN 24 12.726 9.256 -4.630 160 HE22 GLN 24 HE22 GLN 24 13.728 9.985 -5.833 161 H VAL 25 HN VAL 25 11.861 3.651 -2.767 162 HA VAL 25 HA VAL 25 12.013 4.679 -0.031 163 HB VAL 25 HB VAL 25 12.088 1.844 -1.085 164 HG11 VAL 25 HG11 VAL 25 13.480 2.065 0.913 165 HG12 VAL 25 HG12 VAL 25 12.016 1.144 1.261 166 HG13 VAL 25 HG13 VAL 25 12.142 2.828 1.767 167 HG21 VAL 25 HG21 VAL 25 9.889 2.906 -1.195 168 HG22 VAL 25 HG22 VAL 25 9.999 3.321 0.516 169 HG23 VAL 25 HG23 VAL 25 9.920 1.630 0.020 170 H SER 26 HN SER 26 13.896 5.309 0.715 171 HA SER 26 HA SER 26 16.313 4.770 -0.724 172 HB2 SER 26 HB2 SER 26 15.825 6.952 0.441 173 HB3 SER 26 HB1 SER 26 16.017 6.108 1.976 174 HG SER 26 HG SER 26 17.897 7.135 0.389 175 H LYS 27 HN LYS 27 17.493 3.049 -0.505 176 HA LYS 27 HA LYS 27 17.119 1.142 1.583 177 HB2 LYS 27 HB2 LYS 27 18.910 -0.096 0.500 178 HB3 LYS 27 HB1 LYS 27 17.792 0.518 -0.710 179 HG2 LYS 27 HG2 LYS 27 19.367 2.404 -1.110 180 HG3 LYS 27 HG1 LYS 27 20.509 1.610 -0.025 181 HD2 LYS 27 HD2 LYS 27 19.387 0.467 -2.579 182 HD3 LYS 27 HD1 LYS 27 21.018 1.098 -2.350 183 HE2 LYS 27 HE2 LYS 27 21.416 -0.642 -0.646 184 HE3 LYS 27 HE1 LYS 27 19.807 -1.289 -0.960 185 HZ1 LYS 27 HZ1 LYS 27 21.477 -2.528 -2.158 186 HZ2 LYS 27 HZ2 LYS 27 22.028 -1.127 -2.920 187 HZ3 LYS 27 HZ3 LYS 27 20.477 -1.713 -3.248 188 H ALA 28 HN ALA 28 18.827 4.013 1.384 189 HA ALA 28 HA ALA 28 20.939 3.303 3.227 190 HB1 ALA 28 HB1 ALA 28 21.518 5.684 3.120 191 HB2 ALA 28 HB2 ALA 28 20.066 5.989 2.169 192 HB3 ALA 28 HB3 ALA 28 21.355 4.980 1.511 193 H CYS 29 HN CYS 29 17.687 4.039 3.447 194 HA CYS 29 HA CYS 29 17.836 5.316 6.054 195 HB2 CYS 29 HB2 CYS 29 15.495 4.450 4.342 196 HB3 CYS 29 HB1 CYS 29 15.327 5.228 5.912 197 H LYS 30 HN LYS 30 17.048 4.371 7.959 198 HA LYS 30 HA LYS 30 17.507 1.521 8.092 199 HB2 LYS 30 HB2 LYS 30 16.726 3.441 10.296 200 HB3 LYS 30 HB1 LYS 30 17.359 1.814 10.505 201 HG2 LYS 30 HG2 LYS 30 18.836 4.161 9.326 202 HG3 LYS 30 HG1 LYS 30 19.085 3.461 10.924 203 HD2 LYS 30 HD2 LYS 30 19.456 1.945 8.346 204 HD3 LYS 30 HD1 LYS 30 20.761 2.759 9.204 205 HE2 LYS 30 HE2 LYS 30 19.021 0.602 10.389 206 HE3 LYS 30 HE1 LYS 30 20.610 0.323 9.679 207 HZ1 LYS 30 HZ1 LYS 30 21.557 1.821 11.334 208 HZ2 LYS 30 HZ2 LYS 30 20.764 0.521 12.070 209 HZ3 LYS 30 HZ3 LYS 30 20.031 2.044 12.031 210 H GLU 31 HN GLU 31 14.819 3.713 8.163 211 HA GLU 31 HA GLU 31 13.022 1.508 7.721 212 HB2 GLU 31 HB2 GLU 31 11.464 2.086 9.506 213 HB3 GLU 31 HB1 GLU 31 13.024 1.643 10.180 214 HG2 GLU 31 HG2 GLU 31 13.559 3.996 10.507 215 HG3 GLU 31 HG1 GLU 31 12.006 4.450 9.807 216 H PHE 32 HN PHE 32 11.063 2.179 6.737 217 HA PHE 32 HA PHE 32 10.983 5.039 6.029 218 HB2 PHE 32 HB2 PHE 32 11.851 3.446 4.209 219 HB3 PHE 32 HB1 PHE 32 10.200 2.840 4.121 220 HD1 PHE 32 HD2 PHE 32 12.401 5.689 3.440 221 HD2 PHE 32 HD1 PHE 32 8.437 4.171 3.186 222 HE1 PHE 32 HE2 PHE 32 11.806 7.510 1.898 223 HE2 PHE 32 HE1 PHE 32 7.834 5.990 1.645 224 HZ PHE 32 HZ PHE 32 9.575 7.649 0.965 225 H THR 33 HN THR 33 9.101 5.971 6.460 226 HA THR 33 HA THR 33 6.828 4.217 7.102 227 HB THR 33 HB THR 33 7.439 7.002 8.113 228 HG1 THR 33 HG1 THR 33 8.676 5.849 9.403 229 HG21 THR 33 HG21 THR 33 5.571 6.625 9.667 230 HG22 THR 33 HG22 THR 33 5.226 5.087 8.874 231 HG23 THR 33 HG23 THR 33 5.029 6.599 7.988 232 H ILE 34 HN ILE 34 5.001 4.397 6.010 233 HA ILE 34 HA ILE 34 4.706 6.664 4.153 234 HB ILE 34 HB ILE 34 3.686 3.834 3.838 235 HG12 ILE 34 HG12 ILE 34 5.740 5.383 2.240 236 HG13 ILE 34 HG11 ILE 34 6.114 4.135 3.421 237 HG21 ILE 34 HG21 ILE 34 2.082 5.433 2.957 238 HG22 ILE 34 HG22 ILE 34 2.872 4.571 1.639 239 HG23 ILE 34 HG23 ILE 34 3.351 6.224 2.023 240 HD11 ILE 34 HD11 ILE 34 4.572 3.728 0.869 241 HD12 ILE 34 HD12 ILE 34 4.975 2.480 2.048 242 HD13 ILE 34 HD13 ILE 34 6.257 3.290 1.148 243 H THR 35 HN THR 35 3.052 7.955 4.545 244 HA THR 35 HA THR 35 0.906 6.998 6.311 245 HB THR 35 HB THR 35 1.843 9.817 5.730 246 HG1 THR 35 HG1 THR 35 1.898 8.258 8.124 247 HG21 THR 35 HG21 THR 35 -0.582 9.780 6.065 248 HG22 THR 35 HG22 THR 35 0.231 10.526 7.443 249 HG23 THR 35 HG23 THR 35 -0.368 8.872 7.562 250 H LEU 36 HN LEU 36 -1.042 6.683 5.461 251 HA LEU 36 HA LEU 36 -1.580 7.730 2.769 252 HB2 LEU 36 HB2 LEU 36 -1.699 5.262 3.173 253 HB3 LEU 36 HB1 LEU 36 -3.018 5.551 4.288 254 HG LEU 36 HG LEU 36 -4.294 6.577 2.365 255 HD11 LEU 36 HD11 LEU 36 -2.453 7.074 0.886 256 HD12 LEU 36 HD12 LEU 36 -3.559 5.948 0.103 257 HD13 LEU 36 HD13 LEU 36 -2.040 5.365 0.778 258 HD21 LEU 36 HD21 LEU 36 -4.913 4.411 1.399 259 HD22 LEU 36 HD22 LEU 36 -4.769 4.325 3.153 260 HD23 LEU 36 HD23 LEU 36 -3.486 3.679 2.131 261 H LYS 37 HN LYS 37 -3.048 9.274 2.487 262 HA LYS 37 HA LYS 37 -4.944 9.831 4.683 263 HB2 LYS 37 HB2 LYS 37 -3.805 11.753 2.635 264 HB3 LYS 37 HB1 LYS 37 -5.007 12.172 3.842 265 HG2 LYS 37 HG2 LYS 37 -2.197 11.258 4.427 266 HG3 LYS 37 HG1 LYS 37 -2.757 12.931 4.437 267 HD2 LYS 37 HD2 LYS 37 -4.425 12.254 6.190 268 HD3 LYS 37 HD1 LYS 37 -3.602 10.694 6.266 269 HE2 LYS 37 HE2 LYS 37 -2.725 12.045 8.018 270 HE3 LYS 37 HE1 LYS 37 -1.488 11.932 6.767 271 HZ1 LYS 37 HZ1 LYS 37 -1.642 14.179 7.533 272 HZ2 LYS 37 HZ2 LYS 37 -3.308 14.225 7.255 273 HZ3 LYS 37 HZ3 LYS 37 -2.238 14.121 5.952 274 H HIS 38 HN HIS 38 -6.922 9.108 4.154 275 HA HIS 38 HA HIS 38 -7.683 9.099 1.321 276 HB2 HIS 38 HB2 HIS 38 -8.073 7.015 2.570 277 HB3 HIS 38 HB1 HIS 38 -9.111 7.880 3.697 278 HD1 HIS 38 HD1 HIS 38 -9.952 9.196 0.470 279 HD2 HIS 38 HD2 HIS 38 -10.814 5.681 2.522 280 HE1 HIS 38 HE1 HIS 38 -12.037 8.282 -0.595 281 HE2 HIS 38 HE2 HIS 38 -12.444 6.074 0.560 282 H THR 39 HN THR 39 -8.103 11.201 0.918 283 HA THR 39 HA THR 39 -9.963 12.711 2.506 284 HB THR 39 HB THR 39 -8.145 13.831 1.264 285 HG1 THR 39 HG1 THR 39 -10.173 14.928 1.710 286 HG21 THR 39 HG21 THR 39 -8.018 12.450 -0.714 287 HG22 THR 39 HG22 THR 39 -8.353 14.114 -1.190 288 HG23 THR 39 HG23 THR 39 -9.649 12.920 -1.188 289 H GLY 40 HN GLY 40 -12.094 13.238 1.923 290 HA2 GLY 40 HA2 GLY 40 -13.773 12.999 0.023 291 HA3 GLY 40 HA1 GLY 40 -13.306 11.298 0.063 292 H THR 41 HN THR 41 -15.923 11.810 0.401 293 HA THR 41 HA THR 41 -16.342 11.591 3.311 294 HB THR 41 HB THR 41 -18.711 12.396 2.751 295 HG1 THR 41 HG1 THR 41 -18.130 13.928 0.711 296 HG21 THR 41 HG21 THR 41 -17.088 13.777 3.937 297 HG22 THR 41 HG22 THR 41 -18.024 14.756 2.808 298 HG23 THR 41 HG23 THR 41 -16.376 14.280 2.404 299 H GLN 42 HN GLN 42 -15.900 9.513 1.126 300 HA GLN 42 HA GLN 42 -18.428 8.060 1.325 301 HB2 GLN 42 HB2 GLN 42 -15.979 7.639 -0.382 302 HB3 GLN 42 HB1 GLN 42 -17.268 6.449 -0.270 303 HG2 GLN 42 HG2 GLN 42 -18.867 8.079 -1.116 304 HG3 GLN 42 HG1 GLN 42 -17.595 9.296 -1.200 305 HE21 GLN 42 HE21 GLN 42 -18.953 6.459 -2.637 306 HE22 GLN 42 HE22 GLN 42 -18.017 6.497 -4.090 307 HA PRO 43 HA PRO 43 -16.745 5.762 4.705 308 HB2 PRO 43 HB2 PRO 43 -18.739 3.947 4.940 309 HB3 PRO 43 HB1 PRO 43 -18.912 5.628 5.459 310 HG2 PRO 43 HG2 PRO 43 -19.844 4.316 2.935 311 HG3 PRO 43 HG1 PRO 43 -20.697 5.473 3.979 312 HD2 PRO 43 HD2 PRO 43 -19.456 6.199 1.667 313 HD3 PRO 43 HD1 PRO 43 -19.603 7.292 3.063 314 H LYS 44 HN LYS 44 -16.181 3.444 5.228 315 HA LYS 44 HA LYS 44 -14.437 2.566 3.267 316 HB2 LYS 44 HB2 LYS 44 -14.083 0.553 4.636 317 HB3 LYS 44 HB1 LYS 44 -14.072 2.025 5.593 318 HG2 LYS 44 HG2 LYS 44 -16.241 1.559 6.468 319 HG3 LYS 44 HG1 LYS 44 -16.463 0.214 5.349 320 HD2 LYS 44 HD2 LYS 44 -15.898 -0.595 7.579 321 HD3 LYS 44 HD1 LYS 44 -14.618 -0.984 6.430 322 HE2 LYS 44 HE2 LYS 44 -13.343 0.962 7.220 323 HE3 LYS 44 HE1 LYS 44 -14.617 1.313 8.383 324 HZ1 LYS 44 HZ1 LYS 44 -12.942 -1.138 8.320 325 HZ2 LYS 44 HZ2 LYS 44 -14.189 -0.840 9.418 326 HZ3 LYS 44 HZ3 LYS 44 -12.806 0.134 9.427 327 H ALA 45 HN ALA 45 -17.671 1.317 3.989 328 HA ALA 45 HA ALA 45 -17.475 -0.938 2.283 329 HB1 ALA 45 HB1 ALA 45 -19.089 -0.791 4.119 330 HB2 ALA 45 HB2 ALA 45 -19.873 -1.152 2.581 331 HB3 ALA 45 HB3 ALA 45 -19.954 0.477 3.250 332 H SER 46 HN SER 46 -18.049 2.387 1.656 333 HA SER 46 HA SER 46 -19.256 1.839 -0.948 334 HB2 SER 46 HB2 SER 46 -18.630 4.499 0.359 335 HB3 SER 46 HB1 SER 46 -19.593 4.250 -1.097 336 HG SER 46 HG SER 46 -20.708 2.718 0.659 337 H MET 47 HN MET 47 -16.366 3.304 0.487 338 HA MET 47 HA MET 47 -14.762 2.458 -1.714 339 HB2 MET 47 HB2 MET 47 -15.752 4.447 -2.746 340 HB3 MET 47 HB1 MET 47 -15.214 5.434 -1.395 341 HG2 MET 47 HG2 MET 47 -12.883 4.956 -1.970 342 HG3 MET 47 HG1 MET 47 -13.423 3.948 -3.314 343 HE1 MET 47 HE1 MET 47 -15.907 5.668 -4.420 344 HE2 MET 47 HE2 MET 47 -14.698 4.849 -5.407 345 HE3 MET 47 HE3 MET 47 -15.070 6.547 -5.698 346 H GLY 48 HN GLY 48 -13.806 1.464 0.120 347 HA2 GLY 48 HA2 GLY 48 -12.246 3.229 1.857 348 HA3 GLY 48 HA1 GLY 48 -12.426 1.485 2.041 349 H HIS 49 HN HIS 49 -9.947 2.913 2.092 350 HA HIS 49 HA HIS 49 -8.670 1.635 -0.225 351 HB2 HIS 49 HB2 HIS 49 -8.014 4.419 0.778 352 HB3 HIS 49 HB1 HIS 49 -7.086 3.540 -0.428 353 HD2 HIS 49 HD2 HIS 49 -9.370 6.314 -0.430 354 HE1 HIS 49 HE1 HIS 49 -10.355 4.208 -3.961 355 HE2 HIS 49 HE2 HIS 49 -10.350 6.472 -2.828 356 H ASN 50 HN ASN 50 -6.533 0.958 0.111 357 HA ASN 50 HA ASN 50 -5.234 1.636 2.622 358 HB2 ASN 50 HB2 ASN 50 -4.548 -0.689 3.082 359 HB3 ASN 50 HB1 ASN 50 -6.292 -0.508 3.172 360 HD21 ASN 50 HD21 ASN 50 -6.463 -2.765 2.928 361 HD22 ASN 50 HD22 ASN 50 -6.287 -3.519 1.377 362 H LEU 51 HN LEU 51 -2.889 0.904 2.545 363 HA LEU 51 HA LEU 51 -1.970 0.711 -0.240 364 HB2 LEU 51 HB2 LEU 51 -1.513 2.949 0.782 365 HB3 LEU 51 HB1 LEU 51 -0.522 2.148 1.990 366 HG LEU 51 HG LEU 51 0.169 1.670 -0.865 367 HD11 LEU 51 HD11 LEU 51 -0.262 4.066 -0.848 368 HD12 LEU 51 HD12 LEU 51 1.469 3.745 -0.962 369 HD13 LEU 51 HD13 LEU 51 0.766 4.254 0.572 370 HD21 LEU 51 HD21 LEU 51 1.407 0.612 0.979 371 HD22 LEU 51 HD22 LEU 51 1.826 2.209 1.600 372 HD23 LEU 51 HD23 LEU 51 2.427 1.689 0.026 373 H VAL 52 HN VAL 52 -1.305 -1.257 -0.527 374 HA VAL 52 HA VAL 52 0.118 -2.631 1.653 375 HB VAL 52 HB VAL 52 -1.481 -3.825 -0.618 376 HG11 VAL 52 HG11 VAL 52 -0.097 -5.160 1.701 377 HG12 VAL 52 HG12 VAL 52 0.354 -5.275 0.000 378 HG13 VAL 52 HG13 VAL 52 -1.172 -5.962 0.557 379 HG21 VAL 52 HG21 VAL 52 -2.103 -3.605 2.324 380 HG22 VAL 52 HG22 VAL 52 -3.043 -4.534 1.159 381 HG23 VAL 52 HG23 VAL 52 -2.934 -2.780 1.006 382 H ILE 53 HN ILE 53 2.148 -3.247 1.305 383 HA ILE 53 HA ILE 53 3.166 -3.164 -1.459 384 HB ILE 53 HB ILE 53 4.676 -2.735 1.127 385 HG12 ILE 53 HG12 ILE 53 3.984 -0.868 -1.157 386 HG13 ILE 53 HG11 ILE 53 3.320 -0.810 0.472 387 HG21 ILE 53 HG21 ILE 53 6.632 -2.309 -0.273 388 HG22 ILE 53 HG22 ILE 53 5.694 -2.687 -1.716 389 HG23 ILE 53 HG23 ILE 53 6.028 -3.946 -0.526 390 HD11 ILE 53 HD11 ILE 53 6.192 -0.326 -0.276 391 HD12 ILE 53 HD12 ILE 53 5.515 -0.243 1.350 392 HD13 ILE 53 HD13 ILE 53 4.998 0.910 0.120 393 H ALA 54 HN ALA 54 3.611 -5.048 -2.308 394 HA ALA 54 HA ALA 54 4.536 -7.238 -0.613 395 HB1 ALA 54 HB1 ALA 54 2.089 -7.440 -0.686 396 HB2 ALA 54 HB2 ALA 54 2.880 -8.785 -1.511 397 HB3 ALA 54 HB3 ALA 54 2.151 -7.480 -2.448 398 H LYS 55 HN LYS 55 5.222 -9.115 -1.909 399 HA LYS 55 HA LYS 55 7.045 -8.371 -3.921 400 HB2 LYS 55 HB2 LYS 55 7.280 -10.337 -2.426 401 HB3 LYS 55 HB1 LYS 55 5.929 -11.106 -3.245 402 HG2 LYS 55 HG2 LYS 55 7.222 -11.141 -5.326 403 HG3 LYS 55 HG1 LYS 55 8.585 -10.402 -4.479 404 HD2 LYS 55 HD2 LYS 55 8.751 -12.310 -3.000 405 HD3 LYS 55 HD1 LYS 55 7.305 -13.031 -3.722 406 HE2 LYS 55 HE2 LYS 55 8.526 -13.094 -5.901 407 HE3 LYS 55 HE1 LYS 55 9.972 -12.563 -5.047 408 HZ1 LYS 55 HZ1 LYS 55 9.835 -14.557 -3.673 409 HZ2 LYS 55 HZ2 LYS 55 9.956 -14.954 -5.309 410 HZ3 LYS 55 HZ3 LYS 55 8.465 -15.068 -4.520 411 H ALA 56 HN ALA 56 6.841 -8.219 -6.080 412 HA ALA 56 HA ALA 56 4.304 -7.884 -7.207 413 HB1 ALA 56 HB1 ALA 56 6.318 -6.750 -8.002 414 HB2 ALA 56 HB2 ALA 56 5.455 -7.557 -9.312 415 HB3 ALA 56 HB3 ALA 56 6.919 -8.279 -8.642 416 H GLU 57 HN GLU 57 6.311 -10.705 -7.029 417 HA GLU 57 HA GLU 57 4.948 -12.118 -9.137 418 HB2 GLU 57 HB2 GLU 57 6.888 -13.082 -7.032 419 HB3 GLU 57 HB1 GLU 57 6.291 -14.057 -8.366 420 HG2 GLU 57 HG2 GLU 57 7.338 -12.559 -9.960 421 HG3 GLU 57 HG1 GLU 57 7.897 -11.527 -8.646 422 H ASP 58 HN ASP 58 4.273 -11.426 -5.922 423 HA ASP 58 HA ASP 58 2.363 -13.667 -5.776 424 HB2 ASP 58 HB2 ASP 58 3.943 -12.372 -3.547 425 HB3 ASP 58 HB1 ASP 58 2.575 -13.438 -3.270 426 H MET 59 HN MET 59 2.436 -10.638 -6.554 427 HA MET 59 HA MET 59 0.877 -9.274 -4.616 428 HB2 MET 59 HB2 MET 59 2.404 -8.276 -6.434 429 HB3 MET 59 HB1 MET 59 1.041 -8.510 -7.526 430 HG2 MET 59 HG2 MET 59 1.027 -6.255 -6.738 431 HG3 MET 59 HG1 MET 59 -0.341 -7.113 -6.028 432 HE1 MET 59 HE1 MET 59 0.706 -4.315 -4.901 433 HE2 MET 59 HE2 MET 59 0.658 -4.627 -3.165 434 HE3 MET 59 HE3 MET 59 -0.646 -5.205 -4.201 435 H ASP 60 HN ASP 60 0.145 -11.026 -7.559 436 HA ASP 60 HA ASP 60 -2.557 -10.343 -7.834 437 HB2 ASP 60 HB2 ASP 60 -1.247 -11.499 -9.574 438 HB3 ASP 60 HB1 ASP 60 -1.180 -12.936 -8.563 439 H GLY 61 HN GLY 61 -0.949 -12.838 -5.942 440 HA2 GLY 61 HA2 GLY 61 -3.301 -14.168 -5.071 441 HA3 GLY 61 HA1 GLY 61 -1.715 -14.280 -4.326 442 H VAL 62 HN VAL 62 -1.663 -11.305 -4.013 443 HA VAL 62 HA VAL 62 -2.810 -11.222 -1.407 444 HB VAL 62 HB VAL 62 -1.629 -8.991 -3.081 445 HG11 VAL 62 HG11 VAL 62 -1.411 -7.762 -0.981 446 HG12 VAL 62 HG12 VAL 62 -2.217 -9.072 -0.120 447 HG13 VAL 62 HG13 VAL 62 -3.102 -8.130 -1.320 448 HG21 VAL 62 HG21 VAL 62 0.368 -9.319 -1.695 449 HG22 VAL 62 HG22 VAL 62 -0.031 -10.775 -2.607 450 HG23 VAL 62 HG23 VAL 62 -0.416 -10.676 -0.889 451 H PHE 63 HN PHE 63 -3.749 -10.011 -4.574 452 HA PHE 63 HA PHE 63 -5.906 -8.407 -3.591 453 HB2 PHE 63 HB2 PHE 63 -5.345 -9.428 -6.386 454 HB3 PHE 63 HB1 PHE 63 -6.605 -8.268 -5.975 455 HD1 PHE 63 HD1 PHE 63 -5.585 -6.270 -4.407 456 HD2 PHE 63 HD2 PHE 63 -3.485 -8.518 -7.345 457 HE1 PHE 63 HE1 PHE 63 -3.987 -4.423 -4.672 458 HE2 PHE 63 HE2 PHE 63 -1.883 -6.678 -7.616 459 HZ PHE 63 HZ PHE 63 -2.132 -4.626 -6.280 460 H LYS 64 HN LYS 64 -5.741 -11.581 -5.202 461 HA LYS 64 HA LYS 64 -8.530 -11.987 -5.264 462 HB2 LYS 64 HB2 LYS 64 -7.925 -14.403 -5.632 463 HB3 LYS 64 HB1 LYS 64 -7.207 -13.263 -6.758 464 HG2 LYS 64 HG2 LYS 64 -5.110 -13.352 -5.487 465 HG3 LYS 64 HG1 LYS 64 -5.837 -14.536 -4.400 466 HD2 LYS 64 HD2 LYS 64 -5.638 -14.952 -7.373 467 HD3 LYS 64 HD1 LYS 64 -4.375 -15.457 -6.251 468 HE2 LYS 64 HE2 LYS 64 -7.253 -16.322 -6.040 469 HE3 LYS 64 HE1 LYS 64 -6.013 -17.245 -6.886 470 HZ1 LYS 64 HZ1 LYS 64 -6.401 -17.990 -4.585 471 HZ2 LYS 64 HZ2 LYS 64 -5.863 -16.488 -4.012 472 HZ3 LYS 64 HZ3 LYS 64 -4.804 -17.504 -4.855 473 H ASP 65 HN ASP 65 -6.077 -13.142 -2.961 474 HA ASP 65 HA ASP 65 -8.074 -14.415 -1.324 475 HB2 ASP 65 HB2 ASP 65 -5.129 -13.894 -0.891 476 HB3 ASP 65 HB1 ASP 65 -6.149 -14.719 0.283 477 H GLY 66 HN GLY 66 -6.893 -11.273 -1.696 478 HA2 GLY 66 HA2 GLY 66 -7.215 -10.294 0.952 479 HA3 GLY 66 HA1 GLY 66 -7.188 -9.323 -0.516 480 H VAL 67 HN VAL 67 -9.400 -10.806 -1.720 481 HA VAL 67 HA VAL 67 -11.556 -9.235 -0.830 482 HB VAL 67 HB VAL 67 -11.672 -11.792 -2.446 483 HG11 VAL 67 HG11 VAL 67 -13.648 -9.520 -2.228 484 HG12 VAL 67 HG12 VAL 67 -13.848 -11.139 -1.558 485 HG13 VAL 67 HG13 VAL 67 -13.787 -10.910 -3.305 486 HG21 VAL 67 HG21 VAL 67 -11.667 -10.331 -4.413 487 HG22 VAL 67 HG22 VAL 67 -10.181 -10.171 -3.477 488 HG23 VAL 67 HG23 VAL 67 -11.430 -8.930 -3.368 489 H GLY 68 HN GLY 68 -10.537 -12.510 -0.092 490 HA2 GLY 68 HA2 GLY 68 -12.908 -13.107 1.445 491 HA3 GLY 68 HA1 GLY 68 -11.483 -14.126 1.284 492 H ALA 69 HN ALA 69 -10.487 -11.068 2.077 493 HA ALA 69 HA ALA 69 -10.359 -11.765 4.935 494 HB1 ALA 69 HB1 ALA 69 -8.182 -11.758 3.789 495 HB2 ALA 69 HB2 ALA 69 -8.281 -10.522 5.042 496 HB3 ALA 69 HB3 ALA 69 -8.437 -10.070 3.345 497 H ALA 70 HN ALA 70 -12.565 -10.436 3.744 498 HA ALA 70 HA ALA 70 -12.463 -7.634 3.847 499 HB1 ALA 70 HB1 ALA 70 -14.250 -8.894 2.734 500 HB2 ALA 70 HB2 ALA 70 -14.893 -7.722 3.883 501 HB3 ALA 70 HB3 ALA 70 -14.839 -9.433 4.306 502 H ASP 71 HN ASP 71 -12.837 -10.019 6.337 503 HA ASP 71 HA ASP 71 -13.820 -8.125 8.284 504 HB2 ASP 71 HB2 ASP 71 -13.044 -11.035 8.476 505 HB3 ASP 71 HB1 ASP 71 -13.587 -10.089 9.859 506 H THR 72 HN THR 72 -10.880 -8.495 6.979 507 HA THR 72 HA THR 72 -9.621 -7.391 9.352 508 HB THR 72 HB THR 72 -9.085 -9.735 9.573 509 HG1 THR 72 HG1 THR 72 -7.069 -7.908 8.918 510 HG21 THR 72 HG21 THR 72 -9.356 -10.459 7.264 511 HG22 THR 72 HG22 THR 72 -7.778 -10.946 7.885 512 HG23 THR 72 HG23 THR 72 -7.911 -9.561 6.800 513 H ASP 73 HN ASP 73 -10.364 -5.858 7.352 514 HA ASP 73 HA ASP 73 -9.583 -4.058 6.224 515 HB2 ASP 73 HB2 ASP 73 -6.920 -5.066 7.222 516 HB3 ASP 73 HB1 ASP 73 -7.114 -3.558 6.337 517 H TYR 74 HN TYR 74 -9.694 -6.829 4.989 518 HA TYR 74 HA TYR 74 -9.399 -7.786 2.964 519 HB2 TYR 74 HB2 TYR 74 -8.789 -4.941 2.157 520 HB3 TYR 74 HB1 TYR 74 -8.960 -6.271 1.012 521 HD1 TYR 74 HD1 TYR 74 -11.206 -7.620 1.225 522 HD2 TYR 74 HD2 TYR 74 -10.634 -3.657 2.654 523 HE1 TYR 74 HE1 TYR 74 -13.634 -7.258 1.165 524 HE2 TYR 74 HE2 TYR 74 -13.064 -3.282 2.600 525 HH TYR 74 HH TYR 74 -15.062 -4.292 1.280 526 H VAL 75 HN VAL 75 -7.148 -7.608 4.819 527 HA VAL 75 HA VAL 75 -5.051 -8.147 2.837 528 HB VAL 75 HB VAL 75 -3.348 -7.588 4.575 529 HG11 VAL 75 HG11 VAL 75 -3.854 -5.988 2.837 530 HG12 VAL 75 HG12 VAL 75 -3.570 -5.141 4.358 531 HG13 VAL 75 HG13 VAL 75 -5.216 -5.365 3.769 532 HG21 VAL 75 HG21 VAL 75 -3.960 -6.277 6.513 533 HG22 VAL 75 HG22 VAL 75 -4.799 -7.828 6.551 534 HG23 VAL 75 HG23 VAL 75 -5.665 -6.368 6.071 535 H LYS 76 HN LYS 76 -4.401 -10.163 2.798 536 HA LYS 76 HA LYS 76 -5.495 -12.128 4.509 537 HB2 LYS 76 HB2 LYS 76 -4.566 -12.308 2.064 538 HB3 LYS 76 HB1 LYS 76 -3.023 -12.578 2.859 539 HG2 LYS 76 HG2 LYS 76 -3.978 -14.692 2.316 540 HG3 LYS 76 HG1 LYS 76 -4.046 -14.492 4.069 541 HD2 LYS 76 HD2 LYS 76 -6.380 -13.944 3.977 542 HD3 LYS 76 HD1 LYS 76 -6.347 -13.888 2.217 543 HE2 LYS 76 HE2 LYS 76 -7.357 -15.960 3.000 544 HE3 LYS 76 HE1 LYS 76 -5.851 -16.277 2.145 545 HZ1 LYS 76 HZ1 LYS 76 -4.731 -16.542 4.264 546 HZ2 LYS 76 HZ2 LYS 76 -6.049 -17.598 4.161 547 HZ3 LYS 76 HZ3 LYS 76 -6.166 -16.199 5.097 548 HA PRO 77 HA PRO 77 -2.604 -11.646 7.868 549 HB2 PRO 77 HB2 PRO 77 -3.161 -13.965 9.195 550 HB3 PRO 77 HB1 PRO 77 -4.174 -12.518 9.279 551 HG2 PRO 77 HG2 PRO 77 -4.530 -14.994 7.645 552 HG3 PRO 77 HG1 PRO 77 -5.748 -14.034 8.505 553 HD2 PRO 77 HD2 PRO 77 -5.360 -13.870 5.825 554 HD3 PRO 77 HD1 PRO 77 -5.910 -12.488 6.797 555 H ASP 78 HN ASP 78 -2.111 -13.428 5.308 556 HA ASP 78 HA ASP 78 -0.160 -15.323 5.907 557 HB2 ASP 78 HB2 ASP 78 -1.016 -15.149 3.671 558 HB3 ASP 78 HB1 ASP 78 -0.548 -13.458 3.557 559 H ASP 79 HN ASP 79 0.259 -11.905 5.006 560 HA ASP 79 HA ASP 79 1.910 -10.390 5.384 561 HB2 ASP 79 HB2 ASP 79 1.952 -11.881 8.003 562 HB3 ASP 79 HB1 ASP 79 2.881 -10.416 7.721 563 H ALA 80 HN ALA 80 2.709 -13.094 4.250 564 HA ALA 80 HA ALA 80 5.595 -12.853 4.800 565 HB1 ALA 80 HB1 ALA 80 4.727 -15.083 5.229 566 HB2 ALA 80 HB2 ALA 80 5.803 -15.108 3.832 567 HB3 ALA 80 HB3 ALA 80 4.055 -15.156 3.601 568 H ARG 81 HN ARG 81 3.160 -13.165 2.263 569 HA ARG 81 HA ARG 81 4.952 -12.464 0.122 570 HB2 ARG 81 HB2 ARG 81 1.937 -12.189 0.185 571 HB3 ARG 81 HB1 ARG 81 2.960 -12.293 -1.239 572 HG2 ARG 81 HG2 ARG 81 3.479 -14.597 -0.754 573 HG3 ARG 81 HG1 ARG 81 2.588 -14.509 0.767 574 HD2 ARG 81 HD2 ARG 81 0.544 -13.941 -0.571 575 HD3 ARG 81 HD1 ARG 81 1.474 -14.296 -2.024 576 HE ARG 81 HE ARG 81 1.041 -16.308 0.087 577 HH11 ARG 81 HH11 ARG 81 1.028 -15.369 -3.295 578 HH12 ARG 81 HH12 ARG 81 0.537 -16.932 -3.850 579 HH21 ARG 81 HH21 ARG 81 0.411 -18.356 -0.649 580 HH22 ARG 81 HH22 ARG 81 0.200 -18.637 -2.349 581 H VAL 82 HN VAL 82 3.071 -10.866 2.482 582 HA VAL 82 HA VAL 82 3.326 -8.251 1.203 583 HB VAL 82 HB VAL 82 1.751 -9.040 3.663 584 HG11 VAL 82 HG11 VAL 82 1.707 -6.508 2.027 585 HG12 VAL 82 HG12 VAL 82 2.350 -6.686 3.659 586 HG13 VAL 82 HG13 VAL 82 0.622 -6.884 3.364 587 HG21 VAL 82 HG21 VAL 82 0.797 -8.600 0.833 588 HG22 VAL 82 HG22 VAL 82 -0.237 -8.877 2.235 589 HG23 VAL 82 HG23 VAL 82 0.860 -10.144 1.685 590 H VAL 83 HN VAL 83 4.525 -6.642 2.092 591 HA VAL 83 HA VAL 83 6.250 -7.399 4.335 592 HB VAL 83 HB VAL 83 6.542 -5.202 2.282 593 HG11 VAL 83 HG11 VAL 83 7.505 -4.537 4.434 594 HG12 VAL 83 HG12 VAL 83 8.759 -4.818 3.225 595 HG13 VAL 83 HG13 VAL 83 8.447 -6.026 4.472 596 HG21 VAL 83 HG21 VAL 83 6.906 -7.443 1.395 597 HG22 VAL 83 HG22 VAL 83 8.064 -7.774 2.684 598 HG23 VAL 83 HG23 VAL 83 8.421 -6.545 1.472 599 H ALA 84 HN ALA 84 4.090 -4.841 3.216 600 HA ALA 84 HA ALA 84 3.557 -4.093 5.961 601 HB1 ALA 84 HB1 ALA 84 4.068 -1.745 5.667 602 HB2 ALA 84 HB2 ALA 84 4.594 -2.041 4.009 603 HB3 ALA 84 HB3 ALA 84 5.511 -2.713 5.358 604 H HIS 85 HN HIS 85 1.583 -3.047 6.225 605 HA HIS 85 HA HIS 85 0.062 -2.204 3.913 606 HB2 HIS 85 HB2 HIS 85 -1.880 -3.719 4.512 607 HB3 HIS 85 HB1 HIS 85 -0.505 -4.514 3.761 608 HD1 HIS 85 HD1 HIS 85 -2.598 -4.539 6.795 609 HD2 HIS 85 HD2 HIS 85 1.046 -6.120 5.578 610 HE1 HIS 85 HE1 HIS 85 -2.077 -6.376 8.427 611 HE2 HIS 85 HE2 HIS 85 0.042 -7.441 7.556 612 H THR 86 HN THR 86 -1.485 -0.730 4.406 613 HA THR 86 HA THR 86 -1.583 0.230 7.144 614 HB THR 86 HB THR 86 -2.975 2.059 6.209 615 HG1 THR 86 HG1 THR 86 -4.034 1.241 4.499 616 HG21 THR 86 HG21 THR 86 -1.258 3.157 4.946 617 HG22 THR 86 HG22 THR 86 -0.518 1.616 4.523 618 HG23 THR 86 HG23 THR 86 -0.475 2.184 6.192 619 H LYS 87 HN LYS 87 -3.796 0.878 8.016 620 HA LYS 87 HA LYS 87 -5.606 -1.344 7.972 621 HB2 LYS 87 HB2 LYS 87 -5.235 0.187 9.951 622 HB3 LYS 87 HB1 LYS 87 -6.095 1.439 9.068 623 HG2 LYS 87 HG2 LYS 87 -8.075 -0.049 8.984 624 HG3 LYS 87 HG1 LYS 87 -7.206 -1.196 10.001 625 HD2 LYS 87 HD2 LYS 87 -8.560 0.039 11.474 626 HD3 LYS 87 HD1 LYS 87 -6.940 0.714 11.658 627 HE2 LYS 87 HE2 LYS 87 -8.529 2.514 11.557 628 HE3 LYS 87 HE1 LYS 87 -7.565 2.520 10.082 629 HZ1 LYS 87 HZ1 LYS 87 -9.382 1.446 8.918 630 HZ2 LYS 87 HZ2 LYS 87 -9.928 2.875 9.645 631 HZ3 LYS 87 HZ3 LYS 87 -10.295 1.378 10.342 632 H LEU 88 HN LEU 88 -7.798 -1.309 7.197 633 HA LEU 88 HA LEU 88 -8.115 0.066 4.700 634 HB2 LEU 88 HB2 LEU 88 -9.033 -2.247 5.396 635 HB3 LEU 88 HB1 LEU 88 -10.287 -1.361 6.232 636 HG LEU 88 HG LEU 88 -10.893 -2.262 3.957 637 HD11 LEU 88 HD11 LEU 88 -12.231 -0.529 4.974 638 HD12 LEU 88 HD12 LEU 88 -12.088 -0.244 3.242 639 HD13 LEU 88 HD13 LEU 88 -11.132 0.711 4.373 640 HD21 LEU 88 HD21 LEU 88 -10.134 -1.055 1.994 641 HD22 LEU 88 HD22 LEU 88 -8.761 -1.755 2.844 642 HD23 LEU 88 HD23 LEU 88 -9.104 -0.033 2.991 643 H ILE 89 HN ILE 89 -8.591 2.152 4.613 644 HA ILE 89 HA ILE 89 -10.074 3.314 6.873 645 HB ILE 89 HB ILE 89 -8.916 5.447 6.310 646 HG12 ILE 89 HG12 ILE 89 -7.173 3.686 4.571 647 HG13 ILE 89 HG11 ILE 89 -8.331 4.864 3.962 648 HG21 ILE 89 HG21 ILE 89 -6.807 4.824 7.364 649 HG22 ILE 89 HG22 ILE 89 -7.131 3.126 7.014 650 HG23 ILE 89 HG23 ILE 89 -8.170 4.010 8.133 651 HD11 ILE 89 HD11 ILE 89 -7.052 6.653 5.050 652 HD12 ILE 89 HD12 ILE 89 -6.084 5.751 3.885 653 HD13 ILE 89 HD13 ILE 89 -5.884 5.458 5.612 654 H GLY 90 HN GLY 90 -11.813 4.548 6.535 655 HA2 GLY 90 HA2 GLY 90 -12.826 4.767 3.801 656 HA3 GLY 90 HA1 GLY 90 -13.723 5.106 5.278 657 H GLY 91 HN GLY 91 -14.342 7.002 3.865 658 HA2 GLY 91 HA2 GLY 91 -12.479 9.021 3.224 659 HA3 GLY 91 HA1 GLY 91 -14.215 9.244 3.381 660 H GLY 92 HN GLY 92 -11.350 10.301 4.510 661 HA2 GLY 92 HA2 GLY 92 -11.212 12.025 6.132 662 HA3 GLY 92 HA1 GLY 92 -12.643 11.366 6.917 663 H GLU 93 HN GLU 93 -10.546 8.898 6.099 664 HA GLU 93 HA GLU 93 -9.447 8.850 8.828 665 HB2 GLU 93 HB2 GLU 93 -10.170 6.665 6.896 666 HB3 GLU 93 HB1 GLU 93 -9.098 6.364 8.259 667 HG2 GLU 93 HG2 GLU 93 -10.923 7.130 9.765 668 HG3 GLU 93 HG1 GLU 93 -11.979 7.239 8.356 669 H GLU 94 HN GLU 94 -7.298 7.918 9.087 670 HA GLU 94 HA GLU 94 -5.649 7.808 6.693 671 HB2 GLU 94 HB2 GLU 94 -3.932 9.266 7.556 672 HB3 GLU 94 HB1 GLU 94 -5.454 10.143 7.542 673 HG2 GLU 94 HG2 GLU 94 -4.290 8.839 9.988 674 HG3 GLU 94 HG1 GLU 94 -4.009 10.520 9.539 675 H SER 95 HN SER 95 -3.779 6.556 6.918 676 HA SER 95 HA SER 95 -3.235 5.281 9.470 677 HB2 SER 95 HB2 SER 95 -5.002 3.860 8.443 678 HB3 SER 95 HB1 SER 95 -3.969 3.628 7.032 679 HG SER 95 HG SER 95 -3.358 2.863 9.705 680 H SER 96 HN SER 96 -1.168 4.168 9.459 681 HA SER 96 HA SER 96 0.545 4.889 7.190 682 HB2 SER 96 HB2 SER 96 1.198 5.479 10.092 683 HB3 SER 96 HB1 SER 96 2.244 5.801 8.708 684 HG SER 96 HG SER 96 -0.295 6.966 9.233 685 H LEU 97 HN LEU 97 2.536 3.723 7.101 686 HA LEU 97 HA LEU 97 2.791 1.441 8.915 687 HB2 LEU 97 HB2 LEU 97 3.306 -0.059 7.022 688 HB3 LEU 97 HB1 LEU 97 1.652 0.515 7.010 689 HG LEU 97 HG LEU 97 2.507 2.284 5.305 690 HD11 LEU 97 HD11 LEU 97 4.671 0.202 5.009 691 HD12 LEU 97 HD12 LEU 97 4.903 1.839 5.616 692 HD13 LEU 97 HD13 LEU 97 4.394 1.581 3.947 693 HD21 LEU 97 HD21 LEU 97 0.985 0.401 4.807 694 HD22 LEU 97 HD22 LEU 97 2.390 -0.613 4.485 695 HD23 LEU 97 HD23 LEU 97 2.064 0.790 3.469 696 H THR 98 HN THR 98 4.941 0.537 8.955 697 HA THR 98 HA THR 98 6.992 2.255 7.737 698 HB THR 98 HB THR 98 7.144 0.975 10.474 699 HG1 THR 98 HG1 THR 98 7.120 3.754 9.800 700 HG21 THR 98 HG21 THR 98 9.267 2.164 10.694 701 HG22 THR 98 HG22 THR 98 9.107 2.764 9.043 702 HG23 THR 98 HG23 THR 98 9.311 1.037 9.339 703 H LEU 99 HN LEU 99 8.422 1.184 6.527 704 HA LEU 99 HA LEU 99 8.355 -1.756 6.675 705 HB2 LEU 99 HB2 LEU 99 8.730 -1.723 4.210 706 HB3 LEU 99 HB1 LEU 99 7.180 -1.075 4.716 707 HG LEU 99 HG LEU 99 8.459 1.230 4.566 708 HD11 LEU 99 HD11 LEU 99 10.063 1.243 2.704 709 HD12 LEU 99 HD12 LEU 99 10.017 -0.518 2.669 710 HD13 LEU 99 HD13 LEU 99 10.650 0.319 4.085 711 HD21 LEU 99 HD21 LEU 99 7.722 1.404 2.209 712 HD22 LEU 99 HD22 LEU 99 6.503 0.707 3.274 713 HD23 LEU 99 HD23 LEU 99 7.439 -0.336 2.204 714 H ASP 100 HN ASP 100 10.248 -2.857 5.896 715 HA ASP 100 HA ASP 100 12.706 -1.416 6.546 716 HB2 ASP 100 HB2 ASP 100 12.346 -3.477 7.774 717 HB3 ASP 100 HB1 ASP 100 12.101 -4.367 6.275 718 HA PRO 101 HA PRO 101 13.506 -0.997 2.163 719 HB2 PRO 101 HB2 PRO 101 16.274 -0.499 3.091 720 HB3 PRO 101 HB1 PRO 101 15.224 0.513 2.096 721 HG2 PRO 101 HG2 PRO 101 15.744 1.132 4.640 722 HG3 PRO 101 HG1 PRO 101 14.144 1.420 3.925 723 HD2 PRO 101 HD2 PRO 101 15.039 -0.757 5.778 724 HD3 PRO 101 HD1 PRO 101 13.498 0.128 5.734 725 H ALA 102 HN ALA 102 15.479 -2.973 4.304 726 HA ALA 102 HA ALA 102 16.988 -4.189 2.211 727 HB1 ALA 102 HB1 ALA 102 17.770 -5.732 3.944 728 HB2 ALA 102 HB2 ALA 102 16.567 -5.086 5.060 729 HB3 ALA 102 HB3 ALA 102 17.872 -4.053 4.475 730 H LYS 103 HN LYS 103 14.011 -4.939 3.904 731 HA LYS 103 HA LYS 103 13.650 -7.557 2.900 732 HB2 LYS 103 HB2 LYS 103 11.673 -5.474 3.836 733 HB3 LYS 103 HB1 LYS 103 11.188 -7.088 3.340 734 HG2 LYS 103 HG2 LYS 103 13.145 -6.527 5.556 735 HG3 LYS 103 HG1 LYS 103 11.416 -6.773 5.797 736 HD2 LYS 103 HD2 LYS 103 13.266 -8.777 4.503 737 HD3 LYS 103 HD1 LYS 103 12.782 -8.811 6.198 738 HE2 LYS 103 HE2 LYS 103 10.425 -8.994 5.492 739 HE3 LYS 103 HE1 LYS 103 10.948 -9.029 3.810 740 HZ1 LYS 103 HZ1 LYS 103 11.666 -11.032 5.883 741 HZ2 LYS 103 HZ2 LYS 103 12.163 -11.067 4.268 742 HZ3 LYS 103 HZ3 LYS 103 10.528 -11.250 4.651 743 H LEU 104 HN LEU 104 12.957 -4.379 1.600 744 HA LEU 104 HA LEU 104 11.447 -5.411 -0.628 745 HB2 LEU 104 HB2 LEU 104 12.607 -2.655 -0.233 746 HB3 LEU 104 HB1 LEU 104 11.417 -3.114 -1.436 747 HG LEU 104 HG LEU 104 11.033 -2.943 1.550 748 HD11 LEU 104 HD11 LEU 104 9.773 -1.493 -0.771 749 HD12 LEU 104 HD12 LEU 104 10.923 -0.826 0.388 750 HD13 LEU 104 HD13 LEU 104 9.313 -1.309 0.920 751 HD21 LEU 104 HD21 LEU 104 8.710 -3.645 1.133 752 HD22 LEU 104 HD22 LEU 104 9.873 -4.921 0.778 753 HD23 LEU 104 HD23 LEU 104 9.135 -4.011 -0.538 754 H ALA 105 HN ALA 105 14.680 -5.209 0.133 755 HA ALA 105 HA ALA 105 15.632 -4.800 -2.565 756 HB1 ALA 105 HB1 ALA 105 17.149 -5.547 -0.067 757 HB2 ALA 105 HB2 ALA 105 16.919 -3.912 -0.686 758 HB3 ALA 105 HB3 ALA 105 17.862 -5.079 -1.611 759 H ASP 106 HN ASP 106 14.320 -7.343 -0.895 760 HA ASP 106 HA ASP 106 16.023 -9.383 -2.107 761 HB2 ASP 106 HB2 ASP 106 13.864 -9.501 -0.014 762 HB3 ASP 106 HB1 ASP 106 14.451 -10.957 -0.806 763 H GLY 107 HN GLY 107 14.075 -7.650 -3.602 764 HA2 GLY 107 HA2 GLY 107 13.407 -9.344 -5.628 765 HA3 GLY 107 HA1 GLY 107 12.033 -9.441 -4.531 766 H ASP 108 HN ASP 108 11.043 -8.578 -6.611 767 HA ASP 108 HA ASP 108 11.211 -5.643 -6.603 768 HB2 ASP 108 HB2 ASP 108 11.643 -6.607 -8.807 769 HB3 ASP 108 HB1 ASP 108 10.119 -7.490 -8.734 770 H TYR 109 HN TYR 109 9.618 -4.589 -5.682 771 HA TYR 109 HA TYR 109 7.220 -6.123 -4.977 772 HB2 TYR 109 HB2 TYR 109 8.591 -3.839 -3.556 773 HB3 TYR 109 HB1 TYR 109 7.033 -4.499 -3.066 774 HD1 TYR 109 HD1 TYR 109 10.582 -5.437 -3.630 775 HD2 TYR 109 HD2 TYR 109 6.930 -6.396 -1.678 776 HE1 TYR 109 HE1 TYR 109 11.745 -7.133 -2.290 777 HE2 TYR 109 HE2 TYR 109 8.081 -8.099 -0.343 778 HH TYR 109 HH TYR 109 10.165 -9.515 -0.560 779 H LYS 110 HN LYS 110 5.210 -5.035 -4.799 780 HA LYS 110 HA LYS 110 4.969 -2.550 -6.374 781 HB2 LYS 110 HB2 LYS 110 3.186 -4.993 -6.354 782 HB3 LYS 110 HB1 LYS 110 2.598 -3.424 -6.883 783 HG2 LYS 110 HG2 LYS 110 4.305 -3.402 -8.654 784 HG3 LYS 110 HG1 LYS 110 4.837 -5.009 -8.137 785 HD2 LYS 110 HD2 LYS 110 2.761 -5.986 -8.719 786 HD3 LYS 110 HD1 LYS 110 1.983 -4.413 -8.899 787 HE2 LYS 110 HE2 LYS 110 2.344 -5.209 -11.087 788 HE3 LYS 110 HE1 LYS 110 3.583 -3.990 -10.810 789 HZ1 LYS 110 HZ1 LYS 110 3.963 -6.930 -10.645 790 HZ2 LYS 110 HZ2 LYS 110 5.160 -5.774 -10.347 791 HZ3 LYS 110 HZ3 LYS 110 4.503 -5.924 -11.893 792 H PHE 111 HN PHE 111 3.213 -1.153 -5.667 793 HA PHE 111 HA PHE 111 2.065 -1.912 -3.065 794 HB2 PHE 111 HB2 PHE 111 2.149 0.300 -2.242 795 HB3 PHE 111 HB1 PHE 111 3.734 0.029 -2.945 796 HD1 PHE 111 HD1 PHE 111 0.584 1.855 -3.220 797 HD2 PHE 111 HD2 PHE 111 4.427 1.223 -4.933 798 HE1 PHE 111 HE1 PHE 111 0.330 3.916 -4.535 799 HE2 PHE 111 HE2 PHE 111 4.179 3.282 -6.251 800 HZ PHE 111 HZ PHE 111 2.130 4.634 -6.047 801 H ALA 112 HN ALA 112 -0.133 -1.479 -2.782 802 HA ALA 112 HA ALA 112 -1.666 -0.231 -4.864 803 HB1 ALA 112 HB1 ALA 112 -1.030 -2.367 -5.939 804 HB2 ALA 112 HB2 ALA 112 -2.772 -2.202 -5.715 805 HB3 ALA 112 HB3 ALA 112 -1.835 -3.232 -4.632 806 H CYS 113 HN CYS 113 -4.017 -0.640 -4.578 807 HA CYS 113 HA CYS 113 -4.726 -0.886 -1.743 808 HB2 CYS 113 HB2 CYS 113 -5.493 1.128 -3.035 809 HB3 CYS 113 HB1 CYS 113 -6.412 0.058 -4.088 810 H THR 114 HN THR 114 -5.648 -2.744 -1.035 811 HA THR 114 HA THR 114 -6.132 -4.792 -3.063 812 HB THR 114 HB THR 114 -6.137 -6.395 -1.164 813 HG1 THR 114 HG1 THR 114 -6.153 -5.689 0.835 814 HG21 THR 114 HG21 THR 114 -3.742 -4.561 -1.347 815 HG22 THR 114 HG22 THR 114 -4.066 -5.968 -2.360 816 HG23 THR 114 HG23 THR 114 -3.726 -6.177 -0.642 817 H PHE 115 HN PHE 115 -8.048 -2.550 -1.919 818 HA PHE 115 HA PHE 115 -10.315 -3.931 -0.946 819 HB2 PHE 115 HB2 PHE 115 -9.934 -1.432 -0.855 820 HB3 PHE 115 HB1 PHE 115 -10.296 -1.371 -2.575 821 HD1 PHE 115 HD2 PHE 115 -12.560 -1.764 -3.378 822 HD2 PHE 115 HD1 PHE 115 -11.673 -1.739 0.780 823 HE1 PHE 115 HE2 PHE 115 -14.956 -1.550 -2.875 824 HE2 PHE 115 HE1 PHE 115 -14.068 -1.524 1.293 825 HZ PHE 115 HZ PHE 115 -15.705 -1.414 -0.502 826 HA PRO 116 HA PRO 116 -11.548 -6.252 -4.520 827 HB2 PRO 116 HB2 PRO 116 -14.330 -5.600 -3.693 828 HB3 PRO 116 HB1 PRO 116 -13.584 -7.175 -3.997 829 HG2 PRO 116 HG2 PRO 116 -14.080 -6.346 -1.511 830 HG3 PRO 116 HG1 PRO 116 -12.621 -7.274 -1.900 831 HD2 PRO 116 HD2 PRO 116 -12.926 -4.351 -1.357 832 HD3 PRO 116 HD1 PRO 116 -11.594 -5.451 -0.936 833 H GLY 117 HN GLY 117 -11.378 -5.406 -6.491 834 HA2 GLY 117 HA2 GLY 117 -12.228 -4.378 -8.421 835 HA3 GLY 117 HA1 GLY 117 -13.416 -3.546 -7.425 836 H HIS 118 HN HIS 118 -10.450 -3.226 -5.977 837 HA HIS 118 HA HIS 118 -10.067 -0.576 -7.194 838 HB2 HIS 118 HB2 HIS 118 -9.587 -1.641 -4.429 839 HB3 HIS 118 HB1 HIS 118 -8.720 -0.219 -4.991 840 HD2 HIS 118 HD2 HIS 118 -12.463 -0.600 -5.968 841 HE1 HIS 118 HE1 HIS 118 -12.105 2.390 -2.996 842 HE2 HIS 118 HE2 HIS 118 -13.722 1.100 -4.466 843 H GLY 119 HN GLY 119 -8.608 -3.638 -6.880 844 HA2 GLY 119 HA2 GLY 119 -5.904 -2.852 -6.550 845 HA3 GLY 119 HA1 GLY 119 -6.467 -4.443 -7.035 846 H ALA 120 HN ALA 120 -7.869 -3.192 -9.418 847 HA ALA 120 HA ALA 120 -5.603 -3.550 -11.156 848 HB1 ALA 120 HB1 ALA 120 -7.199 -3.505 -12.967 849 HB2 ALA 120 HB2 ALA 120 -8.457 -2.919 -11.882 850 HB3 ALA 120 HB3 ALA 120 -7.794 -4.540 -11.671 851 H LEU 121 HN LEU 121 -7.522 -0.869 -10.024 852 HA LEU 121 HA LEU 121 -6.268 0.923 -11.963 853 HB2 LEU 121 HB2 LEU 121 -8.695 1.110 -11.595 854 HB3 LEU 121 HB1 LEU 121 -8.410 1.463 -9.898 855 HG LEU 121 HG LEU 121 -7.178 3.527 -10.604 856 HD11 LEU 121 HD11 LEU 121 -6.586 2.882 -12.861 857 HD12 LEU 121 HD12 LEU 121 -7.560 4.351 -12.887 858 HD13 LEU 121 HD13 LEU 121 -8.289 2.802 -13.311 859 HD21 LEU 121 HD21 LEU 121 -9.201 4.796 -11.119 860 HD22 LEU 121 HD22 LEU 121 -9.492 3.611 -9.846 861 HD23 LEU 121 HD23 LEU 121 -10.052 3.297 -11.489 862 H MET 122 HN MET 122 -6.415 0.300 -8.503 863 HA MET 122 HA MET 122 -4.582 2.528 -8.003 864 HB2 MET 122 HB2 MET 122 -6.448 0.928 -6.301 865 HB3 MET 122 HB1 MET 122 -5.073 1.720 -5.547 866 HG2 MET 122 HG2 MET 122 -5.912 3.799 -5.868 867 HG3 MET 122 HG1 MET 122 -6.763 3.350 -7.347 868 HE1 MET 122 HE1 MET 122 -8.678 1.033 -6.760 869 HE2 MET 122 HE2 MET 122 -9.009 2.566 -7.560 870 HE3 MET 122 HE3 MET 122 -10.079 1.990 -6.280 871 H ASN 123 HN ASN 123 -2.769 1.495 -8.939 872 HA ASN 123 HA ASN 123 -1.294 -0.007 -6.960 873 HB2 ASN 123 HB2 ASN 123 -0.515 -1.714 -8.614 874 HB3 ASN 123 HB1 ASN 123 -2.229 -1.859 -8.223 875 HD21 ASN 123 HD21 ASN 123 -3.734 -1.506 -9.781 876 HD22 ASN 123 HD22 ASN 123 -3.342 -1.273 -11.452 877 H GLY 124 HN GLY 124 1.001 -0.034 -7.403 878 HA2 GLY 124 HA2 GLY 124 2.042 1.395 -9.664 879 HA3 GLY 124 HA1 GLY 124 2.091 2.352 -8.187 880 H LYS 125 HN LYS 125 4.434 2.236 -8.752 881 HA LYS 125 HA LYS 125 5.660 -0.325 -7.991 882 HB2 LYS 125 HB2 LYS 125 6.275 0.309 -10.218 883 HB3 LYS 125 HB1 LYS 125 6.656 1.945 -9.710 884 HG2 LYS 125 HG2 LYS 125 8.666 0.631 -10.146 885 HG3 LYS 125 HG1 LYS 125 8.575 1.148 -8.463 886 HD2 LYS 125 HD2 LYS 125 9.320 -1.152 -8.579 887 HD3 LYS 125 HD1 LYS 125 7.715 -1.079 -7.851 888 HE2 LYS 125 HE2 LYS 125 6.757 -1.628 -10.076 889 HE3 LYS 125 HE1 LYS 125 8.394 -1.848 -10.683 890 HZ1 LYS 125 HZ1 LYS 125 8.734 -3.617 -9.108 891 HZ2 LYS 125 HZ2 LYS 125 7.352 -3.939 -10.028 892 HZ3 LYS 125 HZ3 LYS 125 7.196 -3.375 -8.439 893 H VAL 126 HN VAL 126 6.798 -0.444 -6.174 894 HA VAL 126 HA VAL 126 7.724 2.034 -4.921 895 HB VAL 126 HB VAL 126 6.483 0.617 -3.403 896 HG11 VAL 126 HG11 VAL 126 8.456 -1.546 -4.104 897 HG12 VAL 126 HG12 VAL 126 6.724 -1.533 -4.441 898 HG13 VAL 126 HG13 VAL 126 7.300 -1.631 -2.777 899 HG21 VAL 126 HG21 VAL 126 8.134 0.325 -1.625 900 HG22 VAL 126 HG22 VAL 126 8.353 1.857 -2.474 901 HG23 VAL 126 HG23 VAL 126 9.433 0.502 -2.806 902 H THR 127 HN THR 127 9.772 2.600 -5.157 903 HA THR 127 HA THR 127 11.537 0.674 -6.514 904 HB THR 127 HB THR 127 11.639 3.695 -6.614 905 HG1 THR 127 HG1 THR 127 9.980 3.454 -7.921 906 HG21 THR 127 HG21 THR 127 12.978 1.598 -8.329 907 HG22 THR 127 HG22 THR 127 13.775 2.594 -7.110 908 HG23 THR 127 HG23 THR 127 13.091 3.343 -8.554 909 H LEU 128 HN LEU 128 13.554 0.286 -5.755 910 HA LEU 128 HA LEU 128 14.288 1.392 -3.164 911 HB2 LEU 128 HB2 LEU 128 15.293 -0.868 -4.867 912 HB3 LEU 128 HB1 LEU 128 16.326 -0.210 -3.616 913 HG LEU 128 HG LEU 128 15.129 -2.243 -2.905 914 HD11 LEU 128 HD11 LEU 128 14.401 -1.439 -0.760 915 HD12 LEU 128 HD12 LEU 128 14.225 0.197 -1.390 916 HD13 LEU 128 HD13 LEU 128 15.825 -0.534 -1.268 917 HD21 LEU 128 HD21 LEU 128 12.646 -0.562 -3.220 918 HD22 LEU 128 HD22 LEU 128 12.726 -2.147 -2.454 919 HD23 LEU 128 HD23 LEU 128 13.078 -1.983 -4.173 920 H VAL 129 HN VAL 129 15.499 3.157 -3.024 921 HA VAL 129 HA VAL 129 17.417 3.698 -5.201 922 HB VAL 129 HB VAL 129 17.130 6.091 -4.839 923 HG11 VAL 129 HG11 VAL 129 14.868 6.345 -5.755 924 HG12 VAL 129 HG12 VAL 129 14.512 4.674 -5.314 925 HG13 VAL 129 HG13 VAL 129 15.747 5.022 -6.524 926 HG21 VAL 129 HG21 VAL 129 14.988 5.311 -2.863 927 HG22 VAL 129 HG22 VAL 129 15.320 6.952 -3.422 928 HG23 VAL 129 HG23 VAL 129 16.533 6.078 -2.486 929 H ASP 130 HN ASP 130 19.299 4.964 -4.536 930 HA ASP 130 HA ASP 130 20.159 4.150 -1.850 931 HB2 ASP 130 HB2 ASP 130 22.436 4.332 -2.652 932 HB3 ASP 130 HB1 ASP 130 21.510 3.370 -3.800 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 15.276 11.656 -6.589 2 H2 ALA 1 HT2 ALA 1 16.477 12.841 -6.676 3 H3 ALA 1 HT3 ALA 1 15.325 12.894 -5.440 4 HA ALA 1 HA ALA 1 17.354 10.775 -5.815 5 HB1 ALA 1 HB1 ALA 1 18.339 12.903 -5.109 6 HB2 ALA 1 HB2 ALA 1 18.437 11.683 -3.839 7 HB3 ALA 1 HB3 ALA 1 17.225 12.960 -3.742 8 H THR 2 HN THR 2 15.538 12.195 -3.095 9 HA THR 2 HA THR 2 14.326 11.263 -1.422 10 HB THR 2 HB THR 2 13.762 8.980 -3.332 11 HG1 THR 2 HG1 THR 2 13.289 11.486 -3.778 12 HG21 THR 2 HG21 THR 2 12.155 10.132 -1.039 13 HG22 THR 2 HG22 THR 2 13.018 8.594 -1.019 14 HG23 THR 2 HG23 THR 2 11.641 8.819 -2.099 15 H ALA 3 HN ALA 3 16.984 10.928 -1.227 16 HA ALA 3 HA ALA 3 17.389 8.151 -0.347 17 HB1 ALA 3 HB1 ALA 3 19.421 10.341 -0.792 18 HB2 ALA 3 HB2 ALA 3 19.069 9.014 -1.899 19 HB3 ALA 3 HB3 ALA 3 19.778 8.680 -0.319 20 H GLY 4 HN GLY 4 16.790 11.305 0.767 21 HA2 GLY 4 HA2 GLY 4 17.691 10.601 3.486 22 HA3 GLY 4 HA1 GLY 4 17.420 12.240 2.907 23 H ASN 5 HN ASN 5 15.019 10.375 1.670 24 HA ASN 5 HA ASN 5 13.104 11.397 3.597 25 HB2 ASN 5 HB2 ASN 5 12.713 9.921 0.982 26 HB3 ASN 5 HB1 ASN 5 11.401 10.509 1.994 27 HD21 ASN 5 HD21 ASN 5 10.952 12.696 2.062 28 HD22 ASN 5 HD22 ASN 5 11.641 13.817 0.937 29 H CYS 6 HN CYS 6 12.720 10.246 5.344 30 HA CYS 6 HA CYS 6 12.824 7.319 5.193 31 HB2 CYS 6 HB2 CYS 6 12.708 9.133 7.614 32 HB3 CYS 6 HB1 CYS 6 12.912 7.382 7.643 33 H ALA 7 HN ALA 7 10.631 9.597 4.690 34 HA ALA 7 HA ALA 7 8.420 7.892 5.463 35 HB1 ALA 7 HB1 ALA 7 8.729 9.320 7.430 36 HB2 ALA 7 HB2 ALA 7 7.213 9.679 6.605 37 HB3 ALA 7 HB3 ALA 7 8.597 10.752 6.411 38 H ALA 8 HN ALA 8 6.554 8.281 4.250 39 HA ALA 8 HA ALA 8 6.606 10.446 2.293 40 HB1 ALA 8 HB1 ALA 8 7.750 8.579 1.180 41 HB2 ALA 8 HB2 ALA 8 6.211 8.962 0.407 42 HB3 ALA 8 HB3 ALA 8 6.342 7.558 1.463 43 H THR 9 HN THR 9 4.585 11.101 1.663 44 HA THR 9 HA THR 9 2.350 9.753 3.007 45 HB THR 9 HB THR 9 2.531 12.624 2.069 46 HG1 THR 9 HG1 THR 9 2.200 12.248 4.736 47 HG21 THR 9 HG21 THR 9 0.237 11.735 2.032 48 HG22 THR 9 HG22 THR 9 0.442 12.950 3.294 49 HG23 THR 9 HG23 THR 9 0.408 11.238 3.715 50 H VAL 10 HN VAL 10 0.806 8.863 1.847 51 HA VAL 10 HA VAL 10 0.621 9.515 -1.022 52 HB VAL 10 HB VAL 10 0.108 6.849 0.312 53 HG11 VAL 10 HG11 VAL 10 -0.164 7.664 -2.580 54 HG12 VAL 10 HG12 VAL 10 -1.476 7.229 -1.487 55 HG13 VAL 10 HG13 VAL 10 -0.292 6.016 -1.970 56 HG21 VAL 10 HG21 VAL 10 1.989 6.050 -1.018 57 HG22 VAL 10 HG22 VAL 10 2.487 7.366 0.045 58 HG23 VAL 10 HG23 VAL 10 2.228 7.669 -1.673 59 H GLU 11 HN GLU 11 -1.286 10.315 -1.622 60 HA GLU 11 HA GLU 11 -3.524 10.036 0.250 61 HB2 GLU 11 HB2 GLU 11 -3.078 12.083 -1.926 62 HB3 GLU 11 HB1 GLU 11 -4.470 12.029 -0.859 63 HG2 GLU 11 HG2 GLU 11 -2.997 12.398 1.066 64 HG3 GLU 11 HG1 GLU 11 -1.613 12.476 -0.025 65 H SER 12 HN SER 12 -5.492 9.340 -0.416 66 HA SER 12 HA SER 12 -5.851 8.709 -3.253 67 HB2 SER 12 HB2 SER 12 -5.368 6.594 -1.985 68 HB3 SER 12 HB1 SER 12 -6.789 6.911 -0.994 69 HG SER 12 HG SER 12 -7.371 5.537 -2.668 70 H ASN 13 HN ASN 13 -7.913 9.149 -4.012 71 HA ASN 13 HA ASN 13 -9.513 10.721 -2.104 72 HB2 ASN 13 HB2 ASN 13 -9.954 12.303 -4.016 73 HB3 ASN 13 HB1 ASN 13 -8.292 12.291 -3.434 74 HD21 ASN 13 HD21 ASN 13 -6.668 11.614 -4.778 75 HD22 ASN 13 HD22 ASN 13 -6.922 11.214 -6.444 76 H ASP 14 HN ASP 14 -11.502 11.540 -3.816 77 HA ASP 14 HA ASP 14 -13.193 9.233 -3.727 78 HB2 ASP 14 HB2 ASP 14 -14.950 10.798 -4.450 79 HB3 ASP 14 HB1 ASP 14 -14.012 11.467 -3.117 80 H ASN 15 HN ASN 15 -11.236 10.673 -6.155 81 HA ASN 15 HA ASN 15 -12.867 9.775 -8.367 82 HB2 ASN 15 HB2 ASN 15 -11.353 11.848 -8.376 83 HB3 ASN 15 HB1 ASN 15 -10.006 10.725 -8.549 84 HD21 ASN 15 HD21 ASN 15 -13.195 10.322 -9.982 85 HD22 ASN 15 HD22 ASN 15 -12.668 10.465 -11.621 86 H MET 16 HN MET 16 -11.203 8.169 -6.208 87 HA MET 16 HA MET 16 -10.487 6.037 -6.025 88 HB2 MET 16 HB2 MET 16 -11.761 5.871 -8.755 89 HB3 MET 16 HB1 MET 16 -11.078 4.471 -7.941 90 HG2 MET 16 HG2 MET 16 -12.627 4.769 -6.093 91 HG3 MET 16 HG1 MET 16 -13.294 6.203 -6.873 92 HE1 MET 16 HE1 MET 16 -16.161 3.535 -7.179 93 HE2 MET 16 HE2 MET 16 -15.732 5.145 -6.602 94 HE3 MET 16 HE3 MET 16 -15.024 3.718 -5.843 95 H GLN 17 HN GLN 17 -8.423 7.475 -6.281 96 HA GLN 17 HA GLN 17 -6.597 5.924 -7.863 97 HB2 GLN 17 HB2 GLN 17 -5.684 7.820 -9.133 98 HB3 GLN 17 HB1 GLN 17 -7.363 7.521 -9.552 99 HG2 GLN 17 HG2 GLN 17 -8.098 9.399 -8.325 100 HG3 GLN 17 HG1 GLN 17 -6.521 9.596 -7.558 101 HE21 GLN 17 HE21 GLN 17 -4.812 10.451 -8.759 102 HE22 GLN 17 HE22 GLN 17 -5.080 11.338 -10.216 103 H PHE 18 HN PHE 18 -4.478 6.143 -7.208 104 HA PHE 18 HA PHE 18 -3.959 7.591 -4.762 105 HB2 PHE 18 HB2 PHE 18 -2.231 5.860 -6.544 106 HB3 PHE 18 HB1 PHE 18 -1.610 6.679 -5.117 107 HD1 PHE 18 HD2 PHE 18 -3.378 6.262 -3.006 108 HD2 PHE 18 HD1 PHE 18 -2.534 3.630 -6.244 109 HE1 PHE 18 HE2 PHE 18 -4.034 4.343 -1.614 110 HE2 PHE 18 HE1 PHE 18 -3.185 1.710 -4.860 111 HZ PHE 18 HZ PHE 18 -3.934 2.064 -2.537 112 H ASN 19 HN ASN 19 -2.681 9.382 -4.558 113 HA ASN 19 HA ASN 19 -2.523 11.155 -6.760 114 HB2 ASN 19 HB2 ASN 19 -1.301 11.265 -4.000 115 HB3 ASN 19 HB1 ASN 19 -1.150 12.568 -5.176 116 HD21 ASN 19 HD21 ASN 19 -2.225 13.956 -3.745 117 HD22 ASN 19 HD22 ASN 19 -3.941 13.882 -3.535 118 H THR 20 HN THR 20 -0.391 8.714 -5.617 119 HA THR 20 HA THR 20 1.558 9.546 -7.643 120 HB THR 20 HB THR 20 2.518 10.141 -5.456 121 HG1 THR 20 HG1 THR 20 4.339 8.368 -5.697 122 HG21 THR 20 HG21 THR 20 1.359 8.529 -4.049 123 HG22 THR 20 HG22 THR 20 3.104 8.390 -3.838 124 HG23 THR 20 HG23 THR 20 2.236 7.205 -4.816 125 H LYS 21 HN LYS 21 2.551 7.876 -8.749 126 HA LYS 21 HA LYS 21 1.280 5.245 -8.405 127 HB2 LYS 21 HB2 LYS 21 0.882 6.457 -10.552 128 HB3 LYS 21 HB1 LYS 21 2.614 6.415 -10.859 129 HG2 LYS 21 HG2 LYS 21 2.492 3.926 -10.808 130 HG3 LYS 21 HG1 LYS 21 0.736 4.067 -10.694 131 HD2 LYS 21 HD2 LYS 21 0.690 5.275 -12.815 132 HD3 LYS 21 HD1 LYS 21 2.449 5.167 -12.922 133 HE2 LYS 21 HE2 LYS 21 2.232 2.689 -12.905 134 HE3 LYS 21 HE1 LYS 21 0.481 2.884 -12.968 135 HZ1 LYS 21 HZ1 LYS 21 1.381 2.497 -15.160 136 HZ2 LYS 21 HZ2 LYS 21 2.414 3.826 -15.015 137 HZ3 LYS 21 HZ3 LYS 21 0.739 4.061 -15.075 138 H ASP 22 HN ASP 22 4.105 6.859 -7.798 139 HA ASP 22 HA ASP 22 5.678 4.386 -7.868 140 HB2 ASP 22 HB2 ASP 22 6.224 5.694 -9.906 141 HB3 ASP 22 HB1 ASP 22 6.681 7.055 -8.885 142 H ILE 23 HN ILE 23 6.760 4.041 -6.046 143 HA ILE 23 HA ILE 23 7.270 6.324 -4.251 144 HB ILE 23 HB ILE 23 6.508 3.504 -3.469 145 HG12 ILE 23 HG12 ILE 23 5.043 6.132 -3.128 146 HG13 ILE 23 HG11 ILE 23 4.597 4.833 -4.232 147 HG21 ILE 23 HG21 ILE 23 7.165 5.860 -1.704 148 HG22 ILE 23 HG22 ILE 23 8.167 4.431 -1.942 149 HG23 ILE 23 HG23 ILE 23 6.597 4.283 -1.157 150 HD11 ILE 23 HD11 ILE 23 4.541 4.763 -1.228 151 HD12 ILE 23 HD12 ILE 23 4.266 3.360 -2.258 152 HD13 ILE 23 HD13 ILE 23 3.165 4.736 -2.331 153 H GLN 24 HN GLN 24 9.304 6.549 -3.602 154 HA GLN 24 HA GLN 24 11.187 4.378 -4.207 155 HB2 GLN 24 HB2 GLN 24 11.634 7.354 -3.980 156 HB3 GLN 24 HB1 GLN 24 12.939 6.179 -4.096 157 HG2 GLN 24 HG2 GLN 24 12.038 5.427 -6.258 158 HG3 GLN 24 HG1 GLN 24 10.797 6.675 -6.154 159 HE21 GLN 24 HE21 GLN 24 12.644 8.592 -4.925 160 HE22 GLN 24 HE22 GLN 24 13.668 9.140 -6.204 161 H VAL 25 HN VAL 25 12.106 3.362 -2.612 162 HA VAL 25 HA VAL 25 11.932 4.521 0.089 163 HB VAL 25 HB VAL 25 12.263 1.625 -0.724 164 HG11 VAL 25 HG11 VAL 25 11.949 1.124 1.650 165 HG12 VAL 25 HG12 VAL 25 11.879 2.849 2.008 166 HG13 VAL 25 HG13 VAL 25 13.372 2.137 1.397 167 HG21 VAL 25 HG21 VAL 25 9.988 1.335 0.135 168 HG22 VAL 25 HG22 VAL 25 10.027 2.480 -1.207 169 HG23 VAL 25 HG23 VAL 25 9.885 3.066 0.451 170 H SER 26 HN SER 26 13.755 5.192 0.970 171 HA SER 26 HA SER 26 16.253 4.784 -0.375 172 HB2 SER 26 HB2 SER 26 15.763 6.953 0.642 173 HB3 SER 26 HB1 SER 26 15.608 6.197 2.226 174 HG SER 26 HG SER 26 17.689 7.191 1.791 175 H LYS 27 HN LYS 27 17.563 3.161 -0.086 176 HA LYS 27 HA LYS 27 17.309 1.242 1.997 177 HB2 LYS 27 HB2 LYS 27 18.261 0.768 -0.259 178 HB3 LYS 27 HB1 LYS 27 19.657 1.755 0.151 179 HG2 LYS 27 HG2 LYS 27 20.059 0.183 2.075 180 HG3 LYS 27 HG1 LYS 27 18.824 -0.860 1.370 181 HD2 LYS 27 HD2 LYS 27 21.372 0.039 0.027 182 HD3 LYS 27 HD1 LYS 27 21.057 -1.566 0.689 183 HE2 LYS 27 HE2 LYS 27 19.176 -1.795 -0.915 184 HE3 LYS 27 HE1 LYS 27 19.639 -0.247 -1.621 185 HZ1 LYS 27 HZ1 LYS 27 21.821 -1.215 -2.131 186 HZ2 LYS 27 HZ2 LYS 27 20.565 -2.041 -2.898 187 HZ3 LYS 27 HZ3 LYS 27 21.301 -2.706 -1.530 188 H ALA 28 HN ALA 28 18.862 4.271 1.739 189 HA ALA 28 HA ALA 28 20.907 3.815 3.699 190 HB1 ALA 28 HB1 ALA 28 21.197 5.476 1.934 191 HB2 ALA 28 HB2 ALA 28 21.303 6.216 3.529 192 HB3 ALA 28 HB3 ALA 28 19.835 6.397 2.570 193 H CYS 29 HN CYS 29 17.598 4.289 3.839 194 HA CYS 29 HA CYS 29 17.664 5.561 6.469 195 HB2 CYS 29 HB2 CYS 29 15.370 4.838 4.631 196 HB3 CYS 29 HB1 CYS 29 15.169 5.581 6.216 197 H LYS 30 HN LYS 30 16.997 4.534 8.311 198 HA LYS 30 HA LYS 30 17.152 1.666 8.311 199 HB2 LYS 30 HB2 LYS 30 18.171 2.900 10.131 200 HB3 LYS 30 HB1 LYS 30 16.641 3.672 10.515 201 HG2 LYS 30 HG2 LYS 30 17.113 1.950 12.123 202 HG3 LYS 30 HG1 LYS 30 15.718 1.481 11.150 203 HD2 LYS 30 HD2 LYS 30 17.149 0.038 9.792 204 HD3 LYS 30 HD1 LYS 30 18.551 0.517 10.751 205 HE2 LYS 30 HE2 LYS 30 17.788 -1.605 11.547 206 HE3 LYS 30 HE1 LYS 30 17.401 -0.389 12.761 207 HZ1 LYS 30 HZ1 LYS 30 15.509 -1.736 12.561 208 HZ2 LYS 30 HZ2 LYS 30 15.558 -1.727 10.877 209 HZ3 LYS 30 HZ3 LYS 30 15.116 -0.323 11.711 210 H GLU 31 HN GLU 31 14.668 4.090 9.004 211 HA GLU 31 HA GLU 31 12.645 1.965 8.738 212 HB2 GLU 31 HB2 GLU 31 12.448 4.425 10.496 213 HB3 GLU 31 HB1 GLU 31 11.239 3.162 10.340 214 HG2 GLU 31 HG2 GLU 31 14.003 2.775 11.459 215 HG3 GLU 31 HG1 GLU 31 12.545 3.017 12.416 216 H PHE 32 HN PHE 32 11.180 2.318 7.182 217 HA PHE 32 HA PHE 32 10.880 5.075 6.194 218 HB2 PHE 32 HB2 PHE 32 11.980 3.419 4.602 219 HB3 PHE 32 HB1 PHE 32 10.426 2.589 4.543 220 HD1 PHE 32 HD2 PHE 32 12.203 5.691 3.711 221 HD2 PHE 32 HD1 PHE 32 8.604 3.467 3.262 222 HE1 PHE 32 HE2 PHE 32 11.482 7.227 1.934 223 HE2 PHE 32 HE1 PHE 32 7.883 5.002 1.477 224 HZ PHE 32 HZ PHE 32 9.320 6.882 0.815 225 H THR 33 HN THR 33 8.984 5.890 6.667 226 HA THR 33 HA THR 33 6.738 4.051 7.166 227 HB THR 33 HB THR 33 7.202 6.822 8.292 228 HG1 THR 33 HG1 THR 33 7.243 4.337 9.686 229 HG21 THR 33 HG21 THR 33 5.074 4.771 8.927 230 HG22 THR 33 HG22 THR 33 4.822 6.300 8.085 231 HG23 THR 33 HG23 THR 33 5.315 6.297 9.778 232 H ILE 34 HN ILE 34 4.964 4.227 5.979 233 HA ILE 34 HA ILE 34 4.725 6.547 4.183 234 HB ILE 34 HB ILE 34 3.639 3.755 3.777 235 HG12 ILE 34 HG12 ILE 34 5.886 5.219 2.372 236 HG13 ILE 34 HG11 ILE 34 6.084 3.890 3.507 237 HG21 ILE 34 HG21 ILE 34 2.995 4.549 1.547 238 HG22 ILE 34 HG22 ILE 34 3.546 6.171 1.969 239 HG23 ILE 34 HG23 ILE 34 2.179 5.453 2.823 240 HD11 ILE 34 HD11 ILE 34 6.334 3.101 1.244 241 HD12 ILE 34 HD12 ILE 34 4.752 3.749 0.813 242 HD13 ILE 34 HD13 ILE 34 4.875 2.417 1.959 243 H THR 35 HN THR 35 3.060 7.842 4.529 244 HA THR 35 HA THR 35 0.883 6.891 6.253 245 HB THR 35 HB THR 35 1.693 9.723 5.562 246 HG1 THR 35 HG1 THR 35 1.997 8.176 7.952 247 HG21 THR 35 HG21 THR 35 -0.709 9.552 6.001 248 HG22 THR 35 HG22 THR 35 0.111 10.387 7.320 249 HG23 THR 35 HG23 THR 35 -0.381 8.704 7.513 250 H LEU 36 HN LEU 36 -1.019 6.487 5.386 251 HA LEU 36 HA LEU 36 -1.606 7.450 2.680 252 HB2 LEU 36 HB2 LEU 36 -1.757 5.009 3.144 253 HB3 LEU 36 HB1 LEU 36 -2.996 5.337 4.337 254 HG LEU 36 HG LEU 36 -4.379 6.344 2.469 255 HD11 LEU 36 HD11 LEU 36 -3.826 5.643 0.191 256 HD12 LEU 36 HD12 LEU 36 -2.290 4.999 0.769 257 HD13 LEU 36 HD13 LEU 36 -2.611 6.730 0.861 258 HD21 LEU 36 HD21 LEU 36 -5.101 4.151 1.622 259 HD22 LEU 36 HD22 LEU 36 -4.869 4.148 3.369 260 HD23 LEU 36 HD23 LEU 36 -3.656 3.420 2.317 261 H LYS 37 HN LYS 37 -3.147 8.938 2.346 262 HA LYS 37 HA LYS 37 -4.961 9.551 4.585 263 HB2 LYS 37 HB2 LYS 37 -3.076 11.221 4.294 264 HB3 LYS 37 HB1 LYS 37 -3.779 11.625 2.733 265 HG2 LYS 37 HG2 LYS 37 -5.740 12.484 3.732 266 HG3 LYS 37 HG1 LYS 37 -5.314 11.813 5.306 267 HD2 LYS 37 HD2 LYS 37 -3.329 13.301 5.345 268 HD3 LYS 37 HD1 LYS 37 -3.889 14.032 3.840 269 HE2 LYS 37 HE2 LYS 37 -5.474 13.967 6.408 270 HE3 LYS 37 HE1 LYS 37 -4.488 15.329 5.880 271 HZ1 LYS 37 HZ1 LYS 37 -5.877 15.558 3.935 272 HZ2 LYS 37 HZ2 LYS 37 -6.836 15.609 5.326 273 HZ3 LYS 37 HZ3 LYS 37 -6.793 14.210 4.380 274 H HIS 38 HN HIS 38 -6.987 9.209 4.022 275 HA HIS 38 HA HIS 38 -7.660 9.215 1.163 276 HB2 HIS 38 HB2 HIS 38 -8.136 7.118 2.334 277 HB3 HIS 38 HB1 HIS 38 -9.130 7.983 3.507 278 HD1 HIS 38 HD1 HIS 38 -9.728 9.172 0.082 279 HD2 HIS 38 HD2 HIS 38 -11.156 6.133 2.539 280 HE1 HIS 38 HE1 HIS 38 -11.913 8.446 -0.932 281 HE2 HIS 38 HE2 HIS 38 -12.620 6.446 0.441 282 H THR 39 HN THR 39 -8.102 11.291 0.717 283 HA THR 39 HA THR 39 -9.965 12.797 2.316 284 HB THR 39 HB THR 39 -8.176 13.986 1.145 285 HG1 THR 39 HG1 THR 39 -9.697 15.440 -0.112 286 HG21 THR 39 HG21 THR 39 -8.265 14.250 -1.316 287 HG22 THR 39 HG22 THR 39 -9.519 13.014 -1.377 288 HG23 THR 39 HG23 THR 39 -7.899 12.599 -0.816 289 H GLY 40 HN GLY 40 -12.065 13.358 1.698 290 HA2 GLY 40 HA2 GLY 40 -13.726 13.073 -0.231 291 HA3 GLY 40 HA1 GLY 40 -13.306 11.367 -0.079 292 H THR 41 HN THR 41 -15.935 12.166 0.231 293 HA THR 41 HA THR 41 -16.345 12.054 3.145 294 HB THR 41 HB THR 41 -18.684 12.840 2.583 295 HG1 THR 41 HG1 THR 41 -19.117 13.486 0.540 296 HG21 THR 41 HG21 THR 41 -18.018 15.180 2.260 297 HG22 THR 41 HG22 THR 41 -16.398 14.656 1.799 298 HG23 THR 41 HG23 THR 41 -16.981 14.379 3.440 299 H GLN 42 HN GLN 42 -15.842 9.840 1.145 300 HA GLN 42 HA GLN 42 -18.390 8.416 1.252 301 HB2 GLN 42 HB2 GLN 42 -15.875 7.837 -0.323 302 HB3 GLN 42 HB1 GLN 42 -17.311 6.827 -0.343 303 HG2 GLN 42 HG2 GLN 42 -17.470 8.130 -2.274 304 HG3 GLN 42 HG1 GLN 42 -18.571 8.893 -1.131 305 HE21 GLN 42 HE21 GLN 42 -15.068 9.181 -1.113 306 HE22 GLN 42 HE22 GLN 42 -15.024 10.863 -1.510 307 HA PRO 43 HA PRO 43 -16.974 5.976 4.654 308 HB2 PRO 43 HB2 PRO 43 -18.863 4.035 4.529 309 HB3 PRO 43 HB1 PRO 43 -19.211 5.669 5.106 310 HG2 PRO 43 HG2 PRO 43 -19.694 4.473 2.399 311 HG3 PRO 43 HG1 PRO 43 -20.778 5.474 3.391 312 HD2 PRO 43 HD2 PRO 43 -19.336 6.491 1.342 313 HD3 PRO 43 HD1 PRO 43 -19.697 7.438 2.803 314 H LYS 44 HN LYS 44 -16.140 3.859 5.141 315 HA LYS 44 HA LYS 44 -14.438 2.992 3.026 316 HB2 LYS 44 HB2 LYS 44 -13.458 1.466 4.681 317 HB3 LYS 44 HB1 LYS 44 -13.603 3.097 5.310 318 HG2 LYS 44 HG2 LYS 44 -15.520 2.467 6.629 319 HG3 LYS 44 HG1 LYS 44 -15.525 0.858 5.909 320 HD2 LYS 44 HD2 LYS 44 -14.522 0.832 8.136 321 HD3 LYS 44 HD1 LYS 44 -13.341 0.402 6.901 322 HE2 LYS 44 HE2 LYS 44 -12.325 1.897 8.495 323 HE3 LYS 44 HE1 LYS 44 -12.495 2.721 6.950 324 HZ1 LYS 44 HZ1 LYS 44 -14.171 3.083 9.370 325 HZ2 LYS 44 HZ2 LYS 44 -14.564 3.729 7.860 326 HZ3 LYS 44 HZ3 LYS 44 -13.146 4.223 8.643 327 H ALA 45 HN ALA 45 -17.500 1.973 4.083 328 HA ALA 45 HA ALA 45 -17.331 -0.758 3.305 329 HB1 ALA 45 HB1 ALA 45 -19.762 -0.759 3.476 330 HB2 ALA 45 HB2 ALA 45 -19.765 1.001 3.574 331 HB3 ALA 45 HB3 ALA 45 -19.036 0.048 4.865 332 H SER 46 HN SER 46 -17.804 2.203 1.589 333 HA SER 46 HA SER 46 -18.560 0.706 -0.827 334 HB2 SER 46 HB2 SER 46 -19.337 3.001 -1.636 335 HB3 SER 46 HB1 SER 46 -20.279 2.270 -0.335 336 HG SER 46 HG SER 46 -19.522 4.596 -0.174 337 H MET 47 HN MET 47 -16.656 3.512 0.269 338 HA MET 47 HA MET 47 -14.735 2.911 -1.883 339 HB2 MET 47 HB2 MET 47 -16.041 4.933 -2.439 340 HB3 MET 47 HB1 MET 47 -15.550 5.665 -0.920 341 HG2 MET 47 HG2 MET 47 -13.179 5.518 -1.693 342 HG3 MET 47 HG1 MET 47 -13.776 4.967 -3.259 343 HE1 MET 47 HE1 MET 47 -15.763 8.061 -4.550 344 HE2 MET 47 HE2 MET 47 -16.423 6.707 -3.636 345 HE3 MET 47 HE3 MET 47 -15.223 6.419 -4.894 346 H GLY 48 HN GLY 48 -14.005 1.638 0.084 347 HA2 GLY 48 HA2 GLY 48 -12.416 3.251 1.938 348 HA3 GLY 48 HA1 GLY 48 -12.668 1.506 2.026 349 H HIS 49 HN HIS 49 -10.140 2.929 2.161 350 HA HIS 49 HA HIS 49 -8.867 1.646 -0.156 351 HB2 HIS 49 HB2 HIS 49 -8.177 4.406 0.883 352 HB3 HIS 49 HB1 HIS 49 -7.236 3.520 -0.308 353 HD2 HIS 49 HD2 HIS 49 -9.526 6.305 -0.325 354 HE1 HIS 49 HE1 HIS 49 -10.420 4.245 -3.901 355 HE2 HIS 49 HE2 HIS 49 -10.414 6.496 -2.755 356 H ASN 50 HN ASN 50 -6.842 0.795 0.196 357 HA ASN 50 HA ASN 50 -5.487 1.417 2.698 358 HB2 ASN 50 HB2 ASN 50 -4.952 -0.919 3.185 359 HB3 ASN 50 HB1 ASN 50 -6.692 -0.698 3.160 360 HD21 ASN 50 HD21 ASN 50 -6.984 -2.915 2.861 361 HD22 ASN 50 HD22 ASN 50 -6.685 -3.680 1.336 362 H LEU 51 HN LEU 51 -3.159 0.528 2.572 363 HA LEU 51 HA LEU 51 -2.269 0.380 -0.219 364 HB2 LEU 51 HB2 LEU 51 -1.934 2.681 0.706 365 HB3 LEU 51 HB1 LEU 51 -0.886 1.991 1.933 366 HG LEU 51 HG LEU 51 -0.200 1.478 -0.923 367 HD11 LEU 51 HD11 LEU 51 0.304 4.100 0.482 368 HD12 LEU 51 HD12 LEU 51 -0.743 3.858 -0.916 369 HD13 LEU 51 HD13 LEU 51 0.997 3.611 -1.062 370 HD21 LEU 51 HD21 LEU 51 1.132 0.485 0.866 371 HD22 LEU 51 HD22 LEU 51 1.419 2.085 1.552 372 HD23 LEU 51 HD23 LEU 51 2.078 1.675 -0.029 373 H VAL 52 HN VAL 52 -1.448 -1.554 -0.450 374 HA VAL 52 HA VAL 52 0.108 -2.727 1.756 375 HB VAL 52 HB VAL 52 -0.351 -4.907 0.826 376 HG11 VAL 52 HG11 VAL 52 -2.786 -5.008 1.072 377 HG12 VAL 52 HG12 VAL 52 -2.866 -3.251 0.941 378 HG13 VAL 52 HG13 VAL 52 -2.043 -3.997 2.309 379 HG21 VAL 52 HG21 VAL 52 -1.828 -3.483 -1.386 380 HG22 VAL 52 HG22 VAL 52 -1.744 -5.230 -1.154 381 HG23 VAL 52 HG23 VAL 52 -0.285 -4.320 -1.545 382 H ILE 53 HN ILE 53 2.124 -3.653 1.319 383 HA ILE 53 HA ILE 53 3.193 -3.159 -1.380 384 HB ILE 53 HB ILE 53 4.644 -2.823 1.251 385 HG12 ILE 53 HG12 ILE 53 3.951 -0.872 -0.959 386 HG13 ILE 53 HG11 ILE 53 3.208 -0.935 0.636 387 HG21 ILE 53 HG21 ILE 53 6.614 -2.238 -0.090 388 HG22 ILE 53 HG22 ILE 53 5.724 -2.623 -1.564 389 HG23 ILE 53 HG23 ILE 53 6.097 -3.896 -0.400 390 HD11 ILE 53 HD11 ILE 53 5.326 -0.312 1.650 391 HD12 ILE 53 HD12 ILE 53 4.817 0.877 0.449 392 HD13 ILE 53 HD13 ILE 53 6.087 -0.282 0.060 393 H ALA 54 HN ALA 54 3.760 -4.936 -2.375 394 HA ALA 54 HA ALA 54 4.762 -7.231 -0.888 395 HB1 ALA 54 HB1 ALA 54 3.085 -8.749 -1.772 396 HB2 ALA 54 HB2 ALA 54 2.293 -7.417 -2.611 397 HB3 ALA 54 HB3 ALA 54 2.307 -7.463 -0.849 398 H LYS 55 HN LYS 55 5.066 -9.105 -2.557 399 HA LYS 55 HA LYS 55 6.916 -8.230 -4.513 400 HB2 LYS 55 HB2 LYS 55 5.574 -10.915 -4.103 401 HB3 LYS 55 HB1 LYS 55 6.905 -10.637 -5.212 402 HG2 LYS 55 HG2 LYS 55 7.166 -9.996 -2.298 403 HG3 LYS 55 HG1 LYS 55 7.398 -11.637 -2.897 404 HD2 LYS 55 HD2 LYS 55 8.901 -9.236 -3.946 405 HD3 LYS 55 HD1 LYS 55 9.503 -10.294 -2.667 406 HE2 LYS 55 HE2 LYS 55 8.792 -11.163 -5.469 407 HE3 LYS 55 HE1 LYS 55 10.422 -10.884 -4.867 408 HZ1 LYS 55 HZ1 LYS 55 10.120 -12.672 -3.286 409 HZ2 LYS 55 HZ2 LYS 55 9.833 -13.234 -4.853 410 HZ3 LYS 55 HZ3 LYS 55 8.535 -12.923 -3.819 411 H ALA 56 HN ALA 56 6.658 -7.716 -6.573 412 HA ALA 56 HA ALA 56 4.142 -7.102 -7.632 413 HB1 ALA 56 HB1 ALA 56 6.271 -6.001 -8.250 414 HB2 ALA 56 HB2 ALA 56 5.310 -6.496 -9.642 415 HB3 ALA 56 HB3 ALA 56 6.715 -7.445 -9.157 416 H GLU 57 HN GLU 57 6.096 -9.974 -7.912 417 HA GLU 57 HA GLU 57 4.704 -10.946 -10.237 418 HB2 GLU 57 HB2 GLU 57 6.717 -12.277 -8.423 419 HB3 GLU 57 HB1 GLU 57 6.086 -12.983 -9.905 420 HG2 GLU 57 HG2 GLU 57 7.682 -10.437 -9.694 421 HG3 GLU 57 HG1 GLU 57 8.272 -11.994 -10.270 422 H ASP 58 HN ASP 58 4.084 -10.986 -6.910 423 HA ASP 58 HA ASP 58 2.133 -13.171 -7.303 424 HB2 ASP 58 HB2 ASP 58 4.120 -13.576 -5.671 425 HB3 ASP 58 HB1 ASP 58 3.267 -12.468 -4.603 426 H MET 59 HN MET 59 2.182 -10.126 -7.510 427 HA MET 59 HA MET 59 0.781 -9.020 -5.326 428 HB2 MET 59 HB2 MET 59 2.141 -7.845 -7.206 429 HB3 MET 59 HB1 MET 59 0.623 -7.884 -8.099 430 HG2 MET 59 HG2 MET 59 0.841 -5.766 -7.004 431 HG3 MET 59 HG1 MET 59 -0.463 -6.680 -6.244 432 HE1 MET 59 HE1 MET 59 1.037 -4.687 -3.221 433 HE2 MET 59 HE2 MET 59 -0.436 -5.101 -4.096 434 HE3 MET 59 HE3 MET 59 0.813 -4.133 -4.880 435 H ASP 60 HN ASP 60 -0.269 -10.473 -8.344 436 HA ASP 60 HA ASP 60 -2.986 -9.785 -8.204 437 HB2 ASP 60 HB2 ASP 60 -2.113 -10.685 -10.249 438 HB3 ASP 60 HB1 ASP 60 -1.612 -12.167 -9.445 439 H GLY 61 HN GLY 61 -1.153 -12.441 -6.808 440 HA2 GLY 61 HA2 GLY 61 -3.338 -13.865 -5.717 441 HA3 GLY 61 HA1 GLY 61 -1.672 -13.951 -5.159 442 H VAL 62 HN VAL 62 -1.510 -11.094 -4.628 443 HA VAL 62 HA VAL 62 -2.360 -11.016 -1.953 444 HB VAL 62 HB VAL 62 -1.702 -8.683 -3.771 445 HG11 VAL 62 HG11 VAL 62 -1.210 -7.463 -1.706 446 HG12 VAL 62 HG12 VAL 62 -1.731 -8.853 -0.755 447 HG13 VAL 62 HG13 VAL 62 -2.896 -7.982 -1.753 448 HG21 VAL 62 HG21 VAL 62 0.542 -8.816 -2.866 449 HG22 VAL 62 HG22 VAL 62 0.106 -10.355 -3.609 450 HG23 VAL 62 HG23 VAL 62 0.080 -10.183 -1.855 451 H PHE 63 HN PHE 63 -3.801 -9.743 -4.921 452 HA PHE 63 HA PHE 63 -5.984 -8.461 -3.598 453 HB2 PHE 63 HB2 PHE 63 -5.775 -9.321 -6.497 454 HB3 PHE 63 HB1 PHE 63 -6.938 -8.176 -5.832 455 HD1 PHE 63 HD1 PHE 63 -5.523 -6.345 -4.252 456 HD2 PHE 63 HD2 PHE 63 -4.220 -8.287 -7.804 457 HE1 PHE 63 HE1 PHE 63 -3.971 -4.491 -4.688 458 HE2 PHE 63 HE2 PHE 63 -2.663 -6.441 -8.247 459 HZ PHE 63 HZ PHE 63 -2.502 -4.557 -6.652 460 H LYS 64 HN LYS 64 -5.388 -11.659 -4.835 461 HA LYS 64 HA LYS 64 -8.113 -12.485 -4.930 462 HB2 LYS 64 HB2 LYS 64 -6.247 -13.566 -6.207 463 HB3 LYS 64 HB1 LYS 64 -5.644 -14.214 -4.689 464 HG2 LYS 64 HG2 LYS 64 -6.902 -15.895 -5.878 465 HG3 LYS 64 HG1 LYS 64 -7.744 -15.446 -4.391 466 HD2 LYS 64 HD2 LYS 64 -9.217 -13.973 -5.679 467 HD3 LYS 64 HD1 LYS 64 -8.378 -14.428 -7.161 468 HE2 LYS 64 HE2 LYS 64 -9.066 -16.752 -6.831 469 HE3 LYS 64 HE1 LYS 64 -9.903 -16.291 -5.350 470 HZ1 LYS 64 HZ1 LYS 64 -10.547 -15.280 -8.065 471 HZ2 LYS 64 HZ2 LYS 64 -11.364 -14.884 -6.641 472 HZ3 LYS 64 HZ3 LYS 64 -11.416 -16.465 -7.229 473 H ASP 65 HN ASP 65 -5.471 -13.051 -2.616 474 HA ASP 65 HA ASP 65 -7.205 -14.362 -0.742 475 HB2 ASP 65 HB2 ASP 65 -4.363 -13.368 -0.544 476 HB3 ASP 65 HB1 ASP 65 -5.200 -14.126 0.805 477 H GLY 66 HN GLY 66 -6.521 -11.143 -1.516 478 HA2 GLY 66 HA2 GLY 66 -6.812 -9.962 1.058 479 HA3 GLY 66 HA1 GLY 66 -6.924 -9.129 -0.487 480 H VAL 67 HN VAL 67 -9.070 -10.365 -1.667 481 HA VAL 67 HA VAL 67 -11.210 -8.991 -0.473 482 HB VAL 67 HB VAL 67 -11.296 -11.173 -2.566 483 HG11 VAL 67 HG11 VAL 67 -13.394 -9.150 -1.784 484 HG12 VAL 67 HG12 VAL 67 -13.484 -10.893 -1.541 485 HG13 VAL 67 HG13 VAL 67 -13.486 -10.229 -3.174 486 HG21 VAL 67 HG21 VAL 67 -11.480 -9.292 -4.149 487 HG22 VAL 67 HG22 VAL 67 -9.952 -9.288 -3.271 488 HG23 VAL 67 HG23 VAL 67 -11.235 -8.168 -2.812 489 H GLY 68 HN GLY 68 -10.095 -12.278 -0.162 490 HA2 GLY 68 HA2 GLY 68 -12.459 -13.128 1.289 491 HA3 GLY 68 HA1 GLY 68 -11.031 -14.098 0.960 492 H ALA 69 HN ALA 69 -10.337 -11.020 2.228 493 HA ALA 69 HA ALA 69 -10.162 -12.099 4.966 494 HB1 ALA 69 HB1 ALA 69 -7.940 -12.071 3.904 495 HB2 ALA 69 HB2 ALA 69 -8.039 -10.957 5.267 496 HB3 ALA 69 HB3 ALA 69 -8.112 -10.339 3.618 497 H ALA 70 HN ALA 70 -12.367 -10.800 4.401 498 HA ALA 70 HA ALA 70 -12.325 -7.997 4.298 499 HB1 ALA 70 HB1 ALA 70 -14.503 -9.792 5.354 500 HB2 ALA 70 HB2 ALA 70 -14.264 -9.353 3.663 501 HB3 ALA 70 HB3 ALA 70 -14.690 -8.114 4.845 502 H ASP 71 HN ASP 71 -12.366 -10.215 7.038 503 HA ASP 71 HA ASP 71 -12.910 -8.116 8.934 504 HB2 ASP 71 HB2 ASP 71 -12.764 -9.805 10.638 505 HB3 ASP 71 HB1 ASP 71 -13.661 -10.470 9.278 506 H THR 72 HN THR 72 -10.194 -8.852 7.242 507 HA THR 72 HA THR 72 -8.548 -7.605 9.332 508 HB THR 72 HB THR 72 -6.571 -8.810 8.274 509 HG1 THR 72 HG1 THR 72 -7.171 -9.816 6.495 510 HG21 THR 72 HG21 THR 72 -6.940 -10.851 9.580 511 HG22 THR 72 HG22 THR 72 -8.657 -10.468 9.693 512 HG23 THR 72 HG23 THR 72 -7.468 -9.421 10.466 513 H ASP 73 HN ASP 73 -9.980 -6.157 7.482 514 HA ASP 73 HA ASP 73 -9.752 -4.358 6.120 515 HB2 ASP 73 HB2 ASP 73 -6.838 -4.641 6.879 516 HB3 ASP 73 HB1 ASP 73 -7.528 -3.245 6.056 517 H TYR 74 HN TYR 74 -9.495 -7.071 5.008 518 HA TYR 74 HA TYR 74 -9.191 -8.090 3.027 519 HB2 TYR 74 HB2 TYR 74 -8.843 -5.253 2.052 520 HB3 TYR 74 HB1 TYR 74 -8.871 -6.649 0.979 521 HD1 TYR 74 HD1 TYR 74 -10.992 -8.290 1.679 522 HD2 TYR 74 HD2 TYR 74 -10.800 -4.061 2.049 523 HE1 TYR 74 HE1 TYR 74 -13.447 -8.177 1.582 524 HE2 TYR 74 HE2 TYR 74 -13.252 -3.933 1.956 525 HH TYR 74 HH TYR 74 -15.253 -6.637 2.303 526 H VAL 75 HN VAL 75 -6.934 -7.704 4.821 527 HA VAL 75 HA VAL 75 -4.848 -8.280 2.834 528 HB VAL 75 HB VAL 75 -3.125 -7.234 4.145 529 HG11 VAL 75 HG11 VAL 75 -5.465 -5.366 3.827 530 HG12 VAL 75 HG12 VAL 75 -4.259 -5.762 2.605 531 HG13 VAL 75 HG13 VAL 75 -3.790 -4.870 4.050 532 HG21 VAL 75 HG21 VAL 75 -5.250 -6.481 6.147 533 HG22 VAL 75 HG22 VAL 75 -3.552 -6.009 6.205 534 HG23 VAL 75 HG23 VAL 75 -4.002 -7.706 6.373 535 H LYS 76 HN LYS 76 -3.277 -9.822 3.511 536 HA LYS 76 HA LYS 76 -4.121 -11.479 5.787 537 HB2 LYS 76 HB2 LYS 76 -2.417 -12.187 3.390 538 HB3 LYS 76 HB1 LYS 76 -2.790 -13.280 4.713 539 HG2 LYS 76 HG2 LYS 76 -4.805 -12.049 2.845 540 HG3 LYS 76 HG1 LYS 76 -4.177 -13.693 2.741 541 HD2 LYS 76 HD2 LYS 76 -5.702 -12.559 5.085 542 HD3 LYS 76 HD1 LYS 76 -6.395 -13.579 3.822 543 HE2 LYS 76 HE2 LYS 76 -4.793 -15.363 4.445 544 HE3 LYS 76 HE1 LYS 76 -4.212 -14.345 5.761 545 HZ1 LYS 76 HZ1 LYS 76 -6.433 -14.378 6.712 546 HZ2 LYS 76 HZ2 LYS 76 -5.836 -15.949 6.540 547 HZ3 LYS 76 HZ3 LYS 76 -6.987 -15.356 5.451 548 HA PRO 77 HA PRO 77 -0.394 -9.283 7.315 549 HB2 PRO 77 HB2 PRO 77 -1.466 -10.121 9.930 550 HB3 PRO 77 HB1 PRO 77 -1.044 -8.503 9.354 551 HG2 PRO 77 HG2 PRO 77 -3.604 -9.241 9.686 552 HG3 PRO 77 HG1 PRO 77 -3.104 -8.172 8.360 553 HD2 PRO 77 HD2 PRO 77 -3.721 -11.108 8.297 554 HD3 PRO 77 HD1 PRO 77 -4.169 -9.839 7.133 555 H ASP 78 HN ASP 78 -1.494 -12.524 7.830 556 HA ASP 78 HA ASP 78 0.997 -13.261 9.176 557 HB2 ASP 78 HB2 ASP 78 -1.496 -14.888 8.643 558 HB3 ASP 78 HB1 ASP 78 -0.075 -15.479 9.493 559 H ASP 79 HN ASP 79 0.399 -12.683 6.154 560 HA ASP 79 HA ASP 79 1.499 -15.189 5.092 561 HB2 ASP 79 HB2 ASP 79 -0.591 -14.142 4.066 562 HB3 ASP 79 HB1 ASP 79 0.465 -12.865 3.468 563 H ALA 80 HN ALA 80 3.304 -15.101 3.644 564 HA ALA 80 HA ALA 80 5.251 -13.190 4.644 565 HB1 ALA 80 HB1 ALA 80 5.635 -15.646 2.941 566 HB2 ALA 80 HB2 ALA 80 5.789 -15.568 4.696 567 HB3 ALA 80 HB3 ALA 80 6.916 -14.679 3.671 568 H ARG 81 HN ARG 81 3.243 -13.381 1.955 569 HA ARG 81 HA ARG 81 5.100 -12.287 0.038 570 HB2 ARG 81 HB2 ARG 81 3.324 -12.246 -1.491 571 HB3 ARG 81 HB1 ARG 81 2.967 -13.635 -0.479 572 HG2 ARG 81 HG2 ARG 81 1.453 -12.109 0.853 573 HG3 ARG 81 HG1 ARG 81 1.663 -10.931 -0.445 574 HD2 ARG 81 HD2 ARG 81 -0.307 -12.062 -1.009 575 HD3 ARG 81 HD1 ARG 81 0.928 -12.822 -2.015 576 HE ARG 81 HE ARG 81 0.843 -14.341 0.260 577 HH11 ARG 81 HH11 ARG 81 -1.474 -13.380 -2.180 578 HH12 ARG 81 HH12 ARG 81 -2.486 -14.778 -1.963 579 HH21 ARG 81 HH21 ARG 81 -0.469 -16.182 0.539 580 HH22 ARG 81 HH22 ARG 81 -1.893 -16.382 -0.438 581 H VAL 82 HN VAL 82 3.202 -11.092 2.588 582 HA VAL 82 HA VAL 82 3.111 -8.371 1.538 583 HB VAL 82 HB VAL 82 1.979 -9.505 4.107 584 HG11 VAL 82 HG11 VAL 82 2.466 -7.118 4.290 585 HG12 VAL 82 HG12 VAL 82 0.726 -7.407 4.257 586 HG13 VAL 82 HG13 VAL 82 1.548 -6.810 2.816 587 HG21 VAL 82 HG21 VAL 82 0.613 -8.808 1.506 588 HG22 VAL 82 HG22 VAL 82 -0.200 -9.306 2.989 589 HG23 VAL 82 HG23 VAL 82 0.869 -10.430 2.151 590 H VAL 83 HN VAL 83 4.597 -6.920 2.049 591 HA VAL 83 HA VAL 83 6.494 -7.485 4.191 592 HB VAL 83 HB VAL 83 6.465 -5.271 2.128 593 HG11 VAL 83 HG11 VAL 83 8.746 -4.802 2.835 594 HG12 VAL 83 HG12 VAL 83 8.636 -6.058 4.070 595 HG13 VAL 83 HG13 VAL 83 7.627 -4.616 4.185 596 HG21 VAL 83 HG21 VAL 83 8.303 -6.512 1.091 597 HG22 VAL 83 HG22 VAL 83 6.821 -7.467 1.142 598 HG23 VAL 83 HG23 VAL 83 8.117 -7.787 2.294 599 H ALA 84 HN ALA 84 4.164 -5.023 3.199 600 HA ALA 84 HA ALA 84 3.726 -4.270 5.953 601 HB1 ALA 84 HB1 ALA 84 5.635 -2.860 5.333 602 HB2 ALA 84 HB2 ALA 84 4.184 -1.902 5.626 603 HB3 ALA 84 HB3 ALA 84 4.714 -2.220 3.972 604 H HIS 85 HN HIS 85 1.825 -2.916 6.202 605 HA HIS 85 HA HIS 85 0.214 -2.334 3.879 606 HB2 HIS 85 HB2 HIS 85 -1.647 -3.767 4.395 607 HB3 HIS 85 HB1 HIS 85 -0.216 -4.787 4.307 608 HD1 HIS 85 HD1 HIS 85 -2.847 -3.561 6.642 609 HD2 HIS 85 HD2 HIS 85 0.606 -5.883 6.809 610 HE1 HIS 85 HE1 HIS 85 -2.904 -4.707 8.880 611 HE2 HIS 85 HE2 HIS 85 -0.698 -5.910 9.040 612 H THR 86 HN THR 86 -1.508 -0.938 4.345 613 HA THR 86 HA THR 86 -1.618 0.114 7.070 614 HB THR 86 HB THR 86 -3.070 1.864 6.141 615 HG1 THR 86 HG1 THR 86 -4.158 1.319 4.419 616 HG21 THR 86 HG21 THR 86 -0.577 2.075 5.974 617 HG22 THR 86 HG22 THR 86 -1.475 3.008 4.779 618 HG23 THR 86 HG23 THR 86 -0.704 1.495 4.313 619 H LYS 87 HN LYS 87 -4.058 0.717 7.654 620 HA LYS 87 HA LYS 87 -5.687 -1.691 7.299 621 HB2 LYS 87 HB2 LYS 87 -6.013 0.656 9.186 622 HB3 LYS 87 HB1 LYS 87 -7.066 -0.748 9.132 623 HG2 LYS 87 HG2 LYS 87 -5.211 -2.185 9.788 624 HG3 LYS 87 HG1 LYS 87 -4.133 -0.789 9.814 625 HD2 LYS 87 HD2 LYS 87 -6.604 -1.050 11.520 626 HD3 LYS 87 HD1 LYS 87 -4.981 -1.483 12.060 627 HE2 LYS 87 HE2 LYS 87 -4.229 0.784 11.795 628 HE3 LYS 87 HE1 LYS 87 -5.758 1.253 11.054 629 HZ1 LYS 87 HZ1 LYS 87 -5.621 1.921 13.380 630 HZ2 LYS 87 HZ2 LYS 87 -5.434 0.309 13.852 631 HZ3 LYS 87 HZ3 LYS 87 -6.878 0.818 13.133 632 H LEU 88 HN LEU 88 -8.112 -1.227 7.085 633 HA LEU 88 HA LEU 88 -8.523 0.350 4.732 634 HB2 LEU 88 HB2 LEU 88 -10.340 -1.204 6.542 635 HB3 LEU 88 HB1 LEU 88 -11.002 -0.159 5.303 636 HG LEU 88 HG LEU 88 -9.203 -2.541 4.835 637 HD11 LEU 88 HD11 LEU 88 -11.170 -3.580 3.912 638 HD12 LEU 88 HD12 LEU 88 -12.116 -2.119 4.184 639 HD13 LEU 88 HD13 LEU 88 -11.519 -3.052 5.556 640 HD21 LEU 88 HD21 LEU 88 -9.661 -2.153 2.458 641 HD22 LEU 88 HD22 LEU 88 -8.818 -0.781 3.173 642 HD23 LEU 88 HD23 LEU 88 -10.550 -0.686 2.863 643 H ILE 89 HN ILE 89 -8.854 2.444 4.647 644 HA ILE 89 HA ILE 89 -10.143 3.743 6.956 645 HB ILE 89 HB ILE 89 -8.910 5.818 6.313 646 HG12 ILE 89 HG12 ILE 89 -7.250 3.930 4.626 647 HG13 ILE 89 HG11 ILE 89 -8.375 5.122 3.984 648 HG21 ILE 89 HG21 ILE 89 -7.215 3.450 7.095 649 HG22 ILE 89 HG22 ILE 89 -8.202 4.426 8.183 650 HG23 ILE 89 HG23 ILE 89 -6.812 5.145 7.371 651 HD11 ILE 89 HD11 ILE 89 -6.101 5.930 3.855 652 HD12 ILE 89 HD12 ILE 89 -5.895 5.699 5.590 653 HD13 ILE 89 HD13 ILE 89 -7.030 6.907 4.990 654 H GLY 90 HN GLY 90 -11.736 5.208 6.581 655 HA2 GLY 90 HA2 GLY 90 -12.786 5.268 3.832 656 HA3 GLY 90 HA1 GLY 90 -13.699 5.640 5.295 657 H GLY 91 HN GLY 91 -14.316 7.509 3.881 658 HA2 GLY 91 HA2 GLY 91 -12.435 9.527 3.249 659 HA3 GLY 91 HA1 GLY 91 -14.175 9.742 3.362 660 H GLY 92 HN GLY 92 -11.293 10.694 4.617 661 HA2 GLY 92 HA2 GLY 92 -11.179 12.425 6.251 662 HA3 GLY 92 HA1 GLY 92 -12.641 11.780 6.990 663 H GLU 93 HN GLU 93 -10.224 9.503 6.086 664 HA GLU 93 HA GLU 93 -9.195 9.445 8.838 665 HB2 GLU 93 HB2 GLU 93 -10.083 7.097 7.164 666 HB3 GLU 93 HB1 GLU 93 -9.155 6.943 8.652 667 HG2 GLU 93 HG2 GLU 93 -10.986 8.015 9.883 668 HG3 GLU 93 HG1 GLU 93 -11.913 8.124 8.387 669 H GLU 94 HN GLU 94 -7.127 8.441 9.084 670 HA GLU 94 HA GLU 94 -5.538 8.256 6.617 671 HB2 GLU 94 HB2 GLU 94 -4.506 9.493 9.179 672 HB3 GLU 94 HB1 GLU 94 -3.712 9.465 7.612 673 HG2 GLU 94 HG2 GLU 94 -4.474 11.559 7.456 674 HG3 GLU 94 HG1 GLU 94 -5.992 10.784 6.997 675 H SER 95 HN SER 95 -3.735 6.837 6.752 676 HA SER 95 HA SER 95 -3.426 5.298 9.221 677 HB2 SER 95 HB2 SER 95 -3.350 3.177 7.820 678 HB3 SER 95 HB1 SER 95 -4.949 3.893 8.027 679 HG SER 95 HG SER 95 -5.049 4.074 5.948 680 H SER 96 HN SER 96 -1.406 3.808 8.988 681 HA SER 96 HA SER 96 0.519 4.782 7.055 682 HB2 SER 96 HB2 SER 96 0.914 5.197 10.030 683 HB3 SER 96 HB1 SER 96 2.182 5.391 8.818 684 HG SER 96 HG SER 96 -0.108 6.755 8.202 685 H LEU 97 HN LEU 97 2.434 3.548 6.947 686 HA LEU 97 HA LEU 97 2.567 1.148 8.612 687 HB2 LEU 97 HB2 LEU 97 3.115 -0.250 6.668 688 HB3 LEU 97 HB1 LEU 97 1.491 0.406 6.568 689 HG LEU 97 HG LEU 97 2.554 2.216 5.035 690 HD11 LEU 97 HD11 LEU 97 4.638 0.050 4.771 691 HD12 LEU 97 HD12 LEU 97 4.901 1.634 5.495 692 HD13 LEU 97 HD13 LEU 97 4.506 1.502 3.782 693 HD21 LEU 97 HD21 LEU 97 2.311 -0.642 4.108 694 HD22 LEU 97 HD22 LEU 97 2.256 0.787 3.079 695 HD23 LEU 97 HD23 LEU 97 0.988 0.511 4.269 696 H THR 98 HN THR 98 4.728 0.198 8.637 697 HA THR 98 HA THR 98 6.838 1.952 7.607 698 HB THR 98 HB THR 98 6.921 0.759 10.386 699 HG1 THR 98 HG1 THR 98 5.382 2.475 10.267 700 HG21 THR 98 HG21 THR 98 9.113 1.075 9.373 701 HG22 THR 98 HG22 THR 98 8.861 2.251 10.661 702 HG23 THR 98 HG23 THR 98 8.706 2.745 8.976 703 H LEU 99 HN LEU 99 8.496 0.844 6.692 704 HA LEU 99 HA LEU 99 8.555 -2.062 7.112 705 HB2 LEU 99 HB2 LEU 99 8.847 -2.410 4.701 706 HB3 LEU 99 HB1 LEU 99 7.298 -1.682 5.081 707 HG LEU 99 HG LEU 99 8.664 0.551 4.540 708 HD11 LEU 99 HD11 LEU 99 9.992 -1.567 2.854 709 HD12 LEU 99 HD12 LEU 99 10.768 -0.576 4.088 710 HD13 LEU 99 HD13 LEU 99 10.142 0.175 2.620 711 HD21 LEU 99 HD21 LEU 99 6.597 -0.092 3.473 712 HD22 LEU 99 HD22 LEU 99 7.438 -1.308 2.510 713 HD23 LEU 99 HD23 LEU 99 7.768 0.406 2.251 714 H ASP 100 HN ASP 100 10.527 -3.085 6.518 715 HA ASP 100 HA ASP 100 12.849 -1.412 7.031 716 HB2 ASP 100 HB2 ASP 100 12.676 -4.419 6.701 717 HB3 ASP 100 HB1 ASP 100 14.041 -3.516 7.347 718 HA PRO 101 HA PRO 101 13.402 -0.921 2.610 719 HB2 PRO 101 HB2 PRO 101 16.139 -0.181 3.506 720 HB3 PRO 101 HB1 PRO 101 15.027 0.691 2.448 721 HG2 PRO 101 HG2 PRO 101 15.423 1.477 4.965 722 HG3 PRO 101 HG1 PRO 101 13.816 1.567 4.215 723 HD2 PRO 101 HD2 PRO 101 14.879 -0.378 6.217 724 HD3 PRO 101 HD1 PRO 101 13.241 0.289 6.050 725 H ALA 102 HN ALA 102 15.649 -2.713 4.651 726 HA ALA 102 HA ALA 102 17.149 -3.850 2.531 727 HB1 ALA 102 HB1 ALA 102 18.039 -3.736 4.784 728 HB2 ALA 102 HB2 ALA 102 17.992 -5.408 4.228 729 HB3 ALA 102 HB3 ALA 102 16.774 -4.820 5.358 730 H LYS 103 HN LYS 103 14.019 -4.499 3.735 731 HA LYS 103 HA LYS 103 13.952 -7.275 2.945 732 HB2 LYS 103 HB2 LYS 103 11.800 -5.345 3.813 733 HB3 LYS 103 HB1 LYS 103 11.462 -7.003 3.341 734 HG2 LYS 103 HG2 LYS 103 13.246 -6.172 5.623 735 HG3 LYS 103 HG1 LYS 103 11.576 -6.721 5.772 736 HD2 LYS 103 HD2 LYS 103 12.357 -8.836 4.563 737 HD3 LYS 103 HD1 LYS 103 13.994 -8.280 4.908 738 HE2 LYS 103 HE2 LYS 103 11.836 -8.834 6.942 739 HE3 LYS 103 HE1 LYS 103 13.225 -9.862 6.599 740 HZ1 LYS 103 HZ1 LYS 103 13.591 -8.529 8.564 741 HZ2 LYS 103 HZ2 LYS 103 13.333 -7.106 7.695 742 HZ3 LYS 103 HZ3 LYS 103 14.676 -8.073 7.349 743 H LEU 104 HN LEU 104 13.799 -4.336 1.328 744 HA LEU 104 HA LEU 104 12.014 -5.327 -0.758 745 HB2 LEU 104 HB2 LEU 104 13.375 -2.650 -0.476 746 HB3 LEU 104 HB1 LEU 104 12.194 -3.069 -1.705 747 HG LEU 104 HG LEU 104 11.723 -2.790 1.265 748 HD11 LEU 104 HD11 LEU 104 11.831 -0.696 0.055 749 HD12 LEU 104 HD12 LEU 104 10.177 -1.029 0.565 750 HD13 LEU 104 HD13 LEU 104 10.650 -1.285 -1.115 751 HD21 LEU 104 HD21 LEU 104 9.832 -3.758 -0.878 752 HD22 LEU 104 HD22 LEU 104 9.354 -3.293 0.753 753 HD23 LEU 104 HD23 LEU 104 10.422 -4.674 0.508 754 H ALA 105 HN ALA 105 15.107 -5.780 -0.047 755 HA ALA 105 HA ALA 105 16.181 -5.408 -2.731 756 HB1 ALA 105 HB1 ALA 105 17.586 -4.760 -0.842 757 HB2 ALA 105 HB2 ALA 105 18.325 -6.075 -1.756 758 HB3 ALA 105 HB3 ALA 105 17.524 -6.407 -0.220 759 H ASP 106 HN ASP 106 14.085 -7.237 -2.514 760 HA ASP 106 HA ASP 106 15.485 -9.738 -3.179 761 HB2 ASP 106 HB2 ASP 106 12.946 -9.408 -1.585 762 HB3 ASP 106 HB1 ASP 106 13.371 -10.924 -2.371 763 H GLY 107 HN GLY 107 14.094 -7.306 -4.601 764 HA2 GLY 107 HA2 GLY 107 13.644 -8.078 -7.030 765 HA3 GLY 107 HA1 GLY 107 12.270 -8.875 -6.276 766 H ASP 108 HN ASP 108 11.148 -7.517 -7.895 767 HA ASP 108 HA ASP 108 11.014 -4.677 -7.280 768 HB2 ASP 108 HB2 ASP 108 11.113 -5.554 -9.648 769 HB3 ASP 108 HB1 ASP 108 9.498 -6.212 -9.398 770 H TYR 109 HN TYR 109 9.527 -3.848 -5.996 771 HA TYR 109 HA TYR 109 7.262 -5.545 -5.204 772 HB2 TYR 109 HB2 TYR 109 8.709 -3.328 -3.757 773 HB3 TYR 109 HB1 TYR 109 7.165 -3.965 -3.206 774 HD1 TYR 109 HD1 TYR 109 10.662 -4.925 -3.956 775 HD2 TYR 109 HD2 TYR 109 7.073 -5.932 -1.912 776 HE1 TYR 109 HE1 TYR 109 11.849 -6.711 -2.761 777 HE2 TYR 109 HE2 TYR 109 8.248 -7.720 -0.711 778 HH TYR 109 HH TYR 109 10.330 -9.178 -1.151 779 H LYS 110 HN LYS 110 5.196 -4.631 -4.934 780 HA LYS 110 HA LYS 110 4.794 -2.028 -6.255 781 HB2 LYS 110 HB2 LYS 110 2.944 -4.426 -6.386 782 HB3 LYS 110 HB1 LYS 110 2.608 -2.838 -7.062 783 HG2 LYS 110 HG2 LYS 110 4.619 -3.132 -8.525 784 HG3 LYS 110 HG1 LYS 110 4.710 -4.796 -7.946 785 HD2 LYS 110 HD2 LYS 110 3.535 -4.689 -10.081 786 HD3 LYS 110 HD1 LYS 110 2.447 -5.214 -8.793 787 HE2 LYS 110 HE2 LYS 110 1.459 -3.024 -8.663 788 HE3 LYS 110 HE1 LYS 110 2.645 -2.374 -9.792 789 HZ1 LYS 110 HZ1 LYS 110 0.619 -4.446 -10.443 790 HZ2 LYS 110 HZ2 LYS 110 1.718 -3.758 -11.526 791 HZ3 LYS 110 HZ3 LYS 110 0.495 -2.807 -10.842 792 H PHE 111 HN PHE 111 3.039 -0.785 -5.477 793 HA PHE 111 HA PHE 111 1.922 -1.707 -2.917 794 HB2 PHE 111 HB2 PHE 111 1.673 0.567 -2.196 795 HB3 PHE 111 HB1 PHE 111 3.329 0.380 -2.745 796 HD1 PHE 111 HD1 PHE 111 0.088 1.936 -3.414 797 HD2 PHE 111 HD2 PHE 111 4.119 1.528 -4.720 798 HE1 PHE 111 HE1 PHE 111 -0.205 3.858 -4.917 799 HE2 PHE 111 HE2 PHE 111 3.833 3.462 -6.218 800 HZ PHE 111 HZ PHE 111 1.687 4.685 -6.244 801 H ALA 112 HN ALA 112 -0.329 -1.447 -2.622 802 HA ALA 112 HA ALA 112 -1.930 -0.428 -4.784 803 HB1 ALA 112 HB1 ALA 112 -1.159 -2.620 -5.657 804 HB2 ALA 112 HB2 ALA 112 -2.911 -2.503 -5.487 805 HB3 ALA 112 HB3 ALA 112 -1.966 -3.398 -4.297 806 H CYS 113 HN CYS 113 -4.203 -0.712 -4.443 807 HA CYS 113 HA CYS 113 -4.947 -0.987 -1.619 808 HB2 CYS 113 HB2 CYS 113 -5.642 1.071 -2.888 809 HB3 CYS 113 HB1 CYS 113 -6.583 0.043 -3.961 810 H THR 114 HN THR 114 -5.834 -2.880 -0.989 811 HA THR 114 HA THR 114 -6.410 -4.836 -3.076 812 HB THR 114 HB THR 114 -6.472 -6.490 -1.223 813 HG1 THR 114 HG1 THR 114 -6.287 -5.866 0.831 814 HG21 THR 114 HG21 THR 114 -4.372 -6.072 -2.384 815 HG22 THR 114 HG22 THR 114 -4.068 -6.366 -0.671 816 HG23 THR 114 HG23 THR 114 -4.026 -4.721 -1.306 817 H PHE 115 HN PHE 115 -8.250 -2.564 -2.085 818 HA PHE 115 HA PHE 115 -10.552 -3.857 -1.021 819 HB2 PHE 115 HB2 PHE 115 -10.000 -1.368 -0.922 820 HB3 PHE 115 HB1 PHE 115 -10.503 -1.279 -2.605 821 HD1 PHE 115 HD1 PHE 115 -11.633 -1.831 0.848 822 HD2 PHE 115 HD2 PHE 115 -12.809 -1.368 -3.213 823 HE1 PHE 115 HE1 PHE 115 -13.969 -1.528 1.561 824 HE2 PHE 115 HE2 PHE 115 -15.144 -1.063 -2.508 825 HZ PHE 115 HZ PHE 115 -15.713 -1.126 -0.079 826 HA PRO 116 HA PRO 116 -12.042 -6.065 -4.569 827 HB2 PRO 116 HB2 PRO 116 -14.711 -5.101 -3.635 828 HB3 PRO 116 HB1 PRO 116 -14.189 -6.741 -4.046 829 HG2 PRO 116 HG2 PRO 116 -14.454 -6.022 -1.506 830 HG3 PRO 116 HG1 PRO 116 -13.095 -7.041 -2.018 831 HD2 PRO 116 HD2 PRO 116 -13.134 -4.132 -1.328 832 HD3 PRO 116 HD1 PRO 116 -11.877 -5.354 -1.022 833 H GLY 117 HN GLY 117 -11.667 -5.160 -6.481 834 HA2 GLY 117 HA2 GLY 117 -12.512 -4.162 -8.455 835 HA3 GLY 117 HA1 GLY 117 -13.570 -3.163 -7.466 836 H HIS 118 HN HIS 118 -10.804 -2.919 -5.864 837 HA HIS 118 HA HIS 118 -10.068 -0.461 -7.282 838 HB2 HIS 118 HB2 HIS 118 -9.568 -1.407 -4.460 839 HB3 HIS 118 HB1 HIS 118 -8.803 0.024 -5.132 840 HD2 HIS 118 HD2 HIS 118 -12.459 -0.235 -6.196 841 HE1 HIS 118 HE1 HIS 118 -12.267 2.336 -2.838 842 HE2 HIS 118 HE2 HIS 118 -13.787 1.325 -4.605 843 H GLY 119 HN GLY 119 -8.828 -3.586 -6.416 844 HA2 GLY 119 HA2 GLY 119 -6.116 -3.081 -6.147 845 HA3 GLY 119 HA1 GLY 119 -6.798 -4.615 -6.661 846 H ALA 120 HN ALA 120 -7.822 -3.988 -9.141 847 HA ALA 120 HA ALA 120 -5.438 -4.170 -10.670 848 HB1 ALA 120 HB1 ALA 120 -6.897 -4.382 -12.596 849 HB2 ALA 120 HB2 ALA 120 -8.271 -3.819 -11.644 850 HB3 ALA 120 HB3 ALA 120 -7.504 -5.360 -11.259 851 H LEU 121 HN LEU 121 -7.357 -1.521 -9.683 852 HA LEU 121 HA LEU 121 -6.355 0.181 -11.843 853 HB2 LEU 121 HB2 LEU 121 -8.718 0.368 -11.495 854 HB3 LEU 121 HB1 LEU 121 -8.505 0.586 -9.766 855 HG LEU 121 HG LEU 121 -7.390 2.770 -10.228 856 HD11 LEU 121 HD11 LEU 121 -7.697 3.772 -12.449 857 HD12 LEU 121 HD12 LEU 121 -8.289 2.224 -13.050 858 HD13 LEU 121 HD13 LEU 121 -6.626 2.372 -12.484 859 HD21 LEU 121 HD21 LEU 121 -9.456 3.965 -10.766 860 HD22 LEU 121 HD22 LEU 121 -9.745 2.662 -9.613 861 HD23 LEU 121 HD23 LEU 121 -10.190 2.456 -11.307 862 H MET 122 HN MET 122 -6.364 -0.090 -8.315 863 HA MET 122 HA MET 122 -4.700 2.316 -8.149 864 HB2 MET 122 HB2 MET 122 -5.974 0.805 -5.863 865 HB3 MET 122 HB1 MET 122 -5.334 2.444 -5.838 866 HG2 MET 122 HG2 MET 122 -7.091 3.107 -7.434 867 HG3 MET 122 HG1 MET 122 -7.760 1.484 -7.326 868 HE1 MET 122 HE1 MET 122 -10.517 3.237 -5.461 869 HE2 MET 122 HE2 MET 122 -10.010 2.196 -6.790 870 HE3 MET 122 HE3 MET 122 -9.643 3.921 -6.829 871 H ASN 123 HN ASN 123 -2.823 1.252 -8.922 872 HA ASN 123 HA ASN 123 -1.308 0.107 -6.757 873 HB2 ASN 123 HB2 ASN 123 -0.517 -1.845 -8.037 874 HB3 ASN 123 HB1 ASN 123 -2.254 -1.923 -7.750 875 HD21 ASN 123 HD21 ASN 123 -3.650 -1.807 -9.464 876 HD22 ASN 123 HD22 ASN 123 -3.122 -1.881 -11.111 877 H GLY 124 HN GLY 124 0.932 0.179 -7.093 878 HA2 GLY 124 HA2 GLY 124 1.957 1.328 -9.563 879 HA3 GLY 124 HA1 GLY 124 2.091 2.351 -8.134 880 H LYS 125 HN LYS 125 4.441 2.176 -8.513 881 HA LYS 125 HA LYS 125 5.517 -0.467 -7.794 882 HB2 LYS 125 HB2 LYS 125 6.753 1.815 -9.324 883 HB3 LYS 125 HB1 LYS 125 7.676 0.435 -8.752 884 HG2 LYS 125 HG2 LYS 125 5.441 0.439 -10.764 885 HG3 LYS 125 HG1 LYS 125 7.142 0.067 -11.039 886 HD2 LYS 125 HD2 LYS 125 6.810 -1.831 -9.354 887 HD3 LYS 125 HD1 LYS 125 5.081 -1.549 -9.574 888 HE2 LYS 125 HE2 LYS 125 5.657 -3.279 -11.075 889 HE3 LYS 125 HE1 LYS 125 5.480 -1.822 -12.053 890 HZ1 LYS 125 HZ1 LYS 125 7.442 -3.019 -12.711 891 HZ2 LYS 125 HZ2 LYS 125 8.035 -3.024 -11.123 892 HZ3 LYS 125 HZ3 LYS 125 7.907 -1.568 -11.979 893 H VAL 126 HN VAL 126 6.818 -0.751 -6.090 894 HA VAL 126 HA VAL 126 7.678 1.627 -4.570 895 HB VAL 126 HB VAL 126 7.217 -1.185 -3.540 896 HG11 VAL 126 HG11 VAL 126 8.045 1.303 -2.046 897 HG12 VAL 126 HG12 VAL 126 9.094 -0.061 -2.429 898 HG13 VAL 126 HG13 VAL 126 7.726 -0.281 -1.337 899 HG21 VAL 126 HG21 VAL 126 5.699 1.368 -3.034 900 HG22 VAL 126 HG22 VAL 126 5.425 -0.163 -2.206 901 HG23 VAL 126 HG23 VAL 126 5.127 -0.034 -3.938 902 H THR 127 HN THR 127 9.712 2.012 -5.192 903 HA THR 127 HA THR 127 11.414 -0.308 -5.809 904 HB THR 127 HB THR 127 11.669 2.526 -6.821 905 HG1 THR 127 HG1 THR 127 10.064 0.484 -7.568 906 HG21 THR 127 HG21 THR 127 13.266 1.566 -8.414 907 HG22 THR 127 HG22 THR 127 13.081 -0.013 -7.650 908 HG23 THR 127 HG23 THR 127 13.804 1.322 -6.753 909 H LEU 128 HN LEU 128 13.269 -0.612 -4.774 910 HA LEU 128 HA LEU 128 13.962 1.118 -2.561 911 HB2 LEU 128 HB2 LEU 128 13.998 -1.349 -2.354 912 HB3 LEU 128 HB1 LEU 128 15.253 -1.419 -3.577 913 HG LEU 128 HG LEU 128 16.739 -0.119 -2.047 914 HD11 LEU 128 HD11 LEU 128 16.116 -0.020 0.328 915 HD12 LEU 128 HD12 LEU 128 14.503 -0.590 -0.085 916 HD13 LEU 128 HD13 LEU 128 15.066 0.970 -0.682 917 HD21 LEU 128 HD21 LEU 128 17.158 -2.012 -0.516 918 HD22 LEU 128 HD22 LEU 128 16.957 -2.513 -2.194 919 HD23 LEU 128 HD23 LEU 128 15.639 -2.739 -1.042 920 H VAL 129 HN VAL 129 15.409 2.700 -2.677 921 HA VAL 129 HA VAL 129 17.221 2.731 -4.997 922 HB VAL 129 HB VAL 129 17.287 5.173 -4.814 923 HG11 VAL 129 HG11 VAL 129 15.679 4.184 -6.326 924 HG12 VAL 129 HG12 VAL 129 14.996 5.634 -5.590 925 HG13 VAL 129 HG13 VAL 129 14.501 4.040 -5.021 926 HG21 VAL 129 HG21 VAL 129 16.845 5.393 -2.422 927 HG22 VAL 129 HG22 VAL 129 15.188 4.841 -2.669 928 HG23 VAL 129 HG23 VAL 129 15.722 6.370 -3.367 929 H ASP 130 HN ASP 130 19.313 3.645 -4.683 930 HA ASP 130 HA ASP 130 20.289 3.615 -1.918 931 HB2 ASP 130 HB2 ASP 130 20.691 1.373 -2.889 932 HB3 ASP 130 HB1 ASP 130 21.582 2.120 -4.214 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 14.135 13.534 -5.219 2 H2 ALA 1 HT2 ALA 1 15.790 13.811 -5.408 3 H3 ALA 1 HT3 ALA 1 14.829 14.947 -4.603 4 HA ALA 1 HA ALA 1 16.123 13.672 -3.036 5 HB1 ALA 1 HB1 ALA 1 13.922 14.488 -2.353 6 HB2 ALA 1 HB2 ALA 1 14.283 12.936 -1.598 7 HB3 ALA 1 HB3 ALA 1 13.177 13.013 -2.970 8 H THR 2 HN THR 2 16.949 11.721 -2.375 9 HA THR 2 HA THR 2 15.953 9.305 -3.703 10 HB THR 2 HB THR 2 18.900 9.967 -3.621 11 HG1 THR 2 HG1 THR 2 18.644 11.016 -5.440 12 HG21 THR 2 HG21 THR 2 19.076 8.128 -5.235 13 HG22 THR 2 HG22 THR 2 17.335 7.872 -5.139 14 HG23 THR 2 HG23 THR 2 18.348 7.577 -3.726 15 H ALA 3 HN ALA 3 18.578 10.367 -1.502 16 HA ALA 3 HA ALA 3 18.233 7.850 -0.045 17 HB1 ALA 3 HB1 ALA 3 20.423 8.259 0.885 18 HB2 ALA 3 HB2 ALA 3 20.460 9.873 0.178 19 HB3 ALA 3 HB3 ALA 3 20.480 8.452 -0.867 20 H GLY 4 HN GLY 4 17.409 11.131 0.259 21 HA2 GLY 4 HA2 GLY 4 17.461 11.051 3.189 22 HA3 GLY 4 HA1 GLY 4 17.186 12.477 2.199 23 H ASN 5 HN ASN 5 15.553 9.365 1.873 24 HA ASN 5 HA ASN 5 13.065 10.691 2.721 25 HB2 ASN 5 HB2 ASN 5 13.462 8.706 0.475 26 HB3 ASN 5 HB1 ASN 5 11.884 9.151 1.110 27 HD21 ASN 5 HD21 ASN 5 12.643 11.936 1.550 28 HD22 ASN 5 HD22 ASN 5 12.693 12.667 -0.015 29 H CYS 6 HN CYS 6 12.613 9.900 4.668 30 HA CYS 6 HA CYS 6 12.831 6.989 5.065 31 HB2 CYS 6 HB2 CYS 6 12.731 9.186 7.146 32 HB3 CYS 6 HB1 CYS 6 12.898 7.461 7.475 33 H ALA 7 HN ALA 7 10.685 9.445 4.481 34 HA ALA 7 HA ALA 7 8.422 7.796 5.240 35 HB1 ALA 7 HB1 ALA 7 7.279 9.598 6.418 36 HB2 ALA 7 HB2 ALA 7 8.686 10.642 6.215 37 HB3 ALA 7 HB3 ALA 7 8.799 9.198 7.220 38 H ALA 8 HN ALA 8 6.531 8.296 4.096 39 HA ALA 8 HA ALA 8 6.619 10.471 2.150 40 HB1 ALA 8 HB1 ALA 8 6.192 7.596 1.344 41 HB2 ALA 8 HB2 ALA 8 7.604 8.579 0.961 42 HB3 ALA 8 HB3 ALA 8 6.028 8.999 0.288 43 H THR 9 HN THR 9 4.534 10.967 1.260 44 HA THR 9 HA THR 9 2.301 9.821 2.797 45 HB THR 9 HB THR 9 2.481 12.691 1.876 46 HG1 THR 9 HG1 THR 9 3.750 12.933 3.548 47 HG21 THR 9 HG21 THR 9 0.623 11.314 3.820 48 HG22 THR 9 HG22 THR 9 0.207 11.826 2.185 49 HG23 THR 9 HG23 THR 9 0.605 13.030 3.410 50 H VAL 10 HN VAL 10 0.711 9.019 1.626 51 HA VAL 10 HA VAL 10 0.519 9.789 -1.215 52 HB VAL 10 HB VAL 10 -0.208 7.136 0.045 53 HG11 VAL 10 HG11 VAL 10 -0.313 8.012 -2.842 54 HG12 VAL 10 HG12 VAL 10 -1.701 7.707 -1.797 55 HG13 VAL 10 HG13 VAL 10 -0.629 6.382 -2.249 56 HG21 VAL 10 HG21 VAL 10 2.206 7.441 -0.140 57 HG22 VAL 10 HG22 VAL 10 2.033 7.845 -1.848 58 HG23 VAL 10 HG23 VAL 10 1.633 6.224 -1.280 59 H GLU 11 HN GLU 11 -1.369 10.596 -1.878 60 HA GLU 11 HA GLU 11 -3.577 10.636 0.054 61 HB2 GLU 11 HB2 GLU 11 -3.048 12.387 -2.354 62 HB3 GLU 11 HB1 GLU 11 -4.481 12.491 -1.346 63 HG2 GLU 11 HG2 GLU 11 -3.160 13.146 0.555 64 HG3 GLU 11 HG1 GLU 11 -1.668 12.917 -0.361 65 H SER 12 HN SER 12 -5.356 9.516 -0.316 66 HA SER 12 HA SER 12 -5.873 8.594 -3.060 67 HB2 SER 12 HB2 SER 12 -7.091 6.667 -1.955 68 HB3 SER 12 HB1 SER 12 -5.348 6.672 -1.703 69 HG SER 12 HG SER 12 -6.160 6.350 0.283 70 H ASN 13 HN ASN 13 -7.909 8.970 -3.879 71 HA ASN 13 HA ASN 13 -9.669 10.541 -2.117 72 HB2 ASN 13 HB2 ASN 13 -10.197 11.985 -4.063 73 HB3 ASN 13 HB1 ASN 13 -8.501 12.064 -3.608 74 HD21 ASN 13 HD21 ASN 13 -7.840 12.767 -5.608 75 HD22 ASN 13 HD22 ASN 13 -7.831 11.748 -7.009 76 H ASP 14 HN ASP 14 -11.710 10.978 -3.982 77 HA ASP 14 HA ASP 14 -12.956 8.355 -3.821 78 HB2 ASP 14 HB2 ASP 14 -15.049 9.545 -4.179 79 HB3 ASP 14 HB1 ASP 14 -14.118 10.330 -2.908 80 H ASN 15 HN ASN 15 -11.113 9.731 -6.092 81 HA ASN 15 HA ASN 15 -12.808 9.020 -8.371 82 HB2 ASN 15 HB2 ASN 15 -10.094 10.351 -8.251 83 HB3 ASN 15 HB1 ASN 15 -10.919 9.932 -9.749 84 HD21 ASN 15 HD21 ASN 15 -12.786 11.073 -10.333 85 HD22 ASN 15 HD22 ASN 15 -13.156 12.615 -9.636 86 H MET 16 HN MET 16 -11.156 7.330 -6.315 87 HA MET 16 HA MET 16 -10.177 5.293 -6.273 88 HB2 MET 16 HB2 MET 16 -11.242 5.236 -9.094 89 HB3 MET 16 HB1 MET 16 -10.429 3.864 -8.360 90 HG2 MET 16 HG2 MET 16 -12.136 3.810 -6.603 91 HG3 MET 16 HG1 MET 16 -12.961 5.160 -7.383 92 HE1 MET 16 HE1 MET 16 -14.275 2.393 -6.607 93 HE2 MET 16 HE2 MET 16 -15.210 1.955 -8.034 94 HE3 MET 16 HE3 MET 16 -15.241 3.613 -7.436 95 H GLN 17 HN GLN 17 -8.337 7.116 -6.341 96 HA GLN 17 HA GLN 17 -6.247 6.007 -8.004 97 HB2 GLN 17 HB2 GLN 17 -5.624 8.185 -8.979 98 HB3 GLN 17 HB1 GLN 17 -7.231 7.684 -9.494 99 HG2 GLN 17 HG2 GLN 17 -8.235 9.173 -7.867 100 HG3 GLN 17 HG1 GLN 17 -6.637 9.644 -7.291 101 HE21 GLN 17 HE21 GLN 17 -7.376 9.123 -10.661 102 HE22 GLN 17 HE22 GLN 17 -7.252 10.778 -11.141 103 H PHE 18 HN PHE 18 -4.178 6.525 -7.298 104 HA PHE 18 HA PHE 18 -3.945 7.982 -4.764 105 HB2 PHE 18 HB2 PHE 18 -1.867 6.394 -6.309 106 HB3 PHE 18 HB1 PHE 18 -1.627 7.124 -4.729 107 HD1 PHE 18 HD2 PHE 18 -3.449 6.354 -2.928 108 HD2 PHE 18 HD1 PHE 18 -2.290 4.143 -6.379 109 HE1 PHE 18 HE2 PHE 18 -4.258 4.288 -1.869 110 HE2 PHE 18 HE1 PHE 18 -3.107 2.075 -5.330 111 HZ PHE 18 HZ PHE 18 -3.913 2.115 -3.012 112 H ASN 19 HN ASN 19 -2.354 9.716 -4.621 113 HA ASN 19 HA ASN 19 -2.310 11.319 -7.008 114 HB2 ASN 19 HB2 ASN 19 -1.294 13.050 -5.658 115 HB3 ASN 19 HB1 ASN 19 -2.632 12.332 -4.766 116 HD21 ASN 19 HD21 ASN 19 -0.276 13.817 -3.837 117 HD22 ASN 19 HD22 ASN 19 0.516 12.777 -2.705 118 H THR 20 HN THR 20 -0.471 8.800 -6.105 119 HA THR 20 HA THR 20 1.555 9.495 -8.022 120 HB THR 20 HB THR 20 2.576 10.418 -6.002 121 HG1 THR 20 HG1 THR 20 4.298 8.422 -5.998 122 HG21 THR 20 HG21 THR 20 2.265 7.642 -4.856 123 HG22 THR 20 HG22 THR 20 1.440 9.101 -4.306 124 HG23 THR 20 HG23 THR 20 3.188 8.951 -4.116 125 H LYS 21 HN LYS 21 2.216 7.726 -9.109 126 HA LYS 21 HA LYS 21 1.342 5.108 -8.100 127 HB2 LYS 21 HB2 LYS 21 1.946 6.095 -10.887 128 HB3 LYS 21 HB1 LYS 21 1.765 4.387 -10.511 129 HG2 LYS 21 HG2 LYS 21 -0.516 4.742 -9.794 130 HG3 LYS 21 HG1 LYS 21 -0.347 6.483 -10.023 131 HD2 LYS 21 HD2 LYS 21 -1.528 5.529 -11.904 132 HD3 LYS 21 HD1 LYS 21 0.055 6.098 -12.428 133 HE2 LYS 21 HE2 LYS 21 -0.312 3.984 -13.456 134 HE3 LYS 21 HE1 LYS 21 0.882 3.745 -12.183 135 HZ1 LYS 21 HZ1 LYS 21 -0.886 2.894 -10.753 136 HZ2 LYS 21 HZ2 LYS 21 -0.754 1.985 -12.173 137 HZ3 LYS 21 HZ3 LYS 21 -2.009 3.102 -12.002 138 H ASP 22 HN ASP 22 3.839 6.787 -7.553 139 HA ASP 22 HA ASP 22 5.665 4.515 -7.685 140 HB2 ASP 22 HB2 ASP 22 6.304 5.830 -9.630 141 HB3 ASP 22 HB1 ASP 22 6.387 7.293 -8.650 142 H ILE 23 HN ILE 23 6.784 4.248 -5.857 143 HA ILE 23 HA ILE 23 7.009 6.526 -4.004 144 HB ILE 23 HB ILE 23 6.319 3.666 -3.307 145 HG12 ILE 23 HG12 ILE 23 4.917 6.278 -2.676 146 HG13 ILE 23 HG11 ILE 23 4.444 5.168 -3.961 147 HG21 ILE 23 HG21 ILE 23 8.038 4.488 -1.770 148 HG22 ILE 23 HG22 ILE 23 6.485 4.299 -0.958 149 HG23 ILE 23 HG23 ILE 23 7.048 5.905 -1.418 150 HD11 ILE 23 HD11 ILE 23 4.053 3.433 -2.231 151 HD12 ILE 23 HD12 ILE 23 3.010 4.843 -2.079 152 HD13 ILE 23 HD13 ILE 23 4.389 4.649 -0.999 153 H GLN 24 HN GLN 24 8.983 6.850 -3.189 154 HA GLN 24 HA GLN 24 11.092 4.992 -4.032 155 HB2 GLN 24 HB2 GLN 24 11.310 7.877 -3.158 156 HB3 GLN 24 HB1 GLN 24 12.625 6.874 -3.759 157 HG2 GLN 24 HG2 GLN 24 11.531 6.712 -5.925 158 HG3 GLN 24 HG1 GLN 24 10.188 7.688 -5.330 159 HE21 GLN 24 HE21 GLN 24 13.488 8.300 -4.429 160 HE22 GLN 24 HE22 GLN 24 13.665 9.784 -5.297 161 H VAL 25 HN VAL 25 11.839 3.680 -2.532 162 HA VAL 25 HA VAL 25 11.734 4.531 0.288 163 HB VAL 25 HB VAL 25 11.989 1.741 -0.855 164 HG11 VAL 25 HG11 VAL 25 13.151 2.001 1.291 165 HG12 VAL 25 HG12 VAL 25 11.729 0.966 1.437 166 HG13 VAL 25 HG13 VAL 25 11.669 2.633 2.010 167 HG21 VAL 25 HG21 VAL 25 9.767 2.661 -1.193 168 HG22 VAL 25 HG22 VAL 25 9.673 3.107 0.510 169 HG23 VAL 25 HG23 VAL 25 9.727 1.407 0.046 170 H SER 26 HN SER 26 13.584 5.102 1.193 171 HA SER 26 HA SER 26 16.067 4.792 -0.207 172 HB2 SER 26 HB2 SER 26 15.544 6.854 1.036 173 HB3 SER 26 HB1 SER 26 15.479 5.937 2.538 174 HG SER 26 HG SER 26 17.494 6.921 2.315 175 H LYS 27 HN LYS 27 17.364 3.119 -0.085 176 HA LYS 27 HA LYS 27 17.025 1.034 1.844 177 HB2 LYS 27 HB2 LYS 27 18.876 -0.063 0.713 178 HB3 LYS 27 HB1 LYS 27 17.754 0.590 -0.473 179 HG2 LYS 27 HG2 LYS 27 19.261 2.535 -0.761 180 HG3 LYS 27 HG1 LYS 27 20.407 1.760 0.333 181 HD2 LYS 27 HD2 LYS 27 19.411 0.582 -2.261 182 HD3 LYS 27 HD1 LYS 27 20.959 1.401 -2.047 183 HE2 LYS 27 HE2 LYS 27 21.602 -0.286 -0.383 184 HE3 LYS 27 HE1 LYS 27 20.069 -1.114 -0.642 185 HZ1 LYS 27 HZ1 LYS 27 20.694 -1.521 -2.926 186 HZ2 LYS 27 HZ2 LYS 27 21.884 -2.127 -1.890 187 HZ3 LYS 27 HZ3 LYS 27 22.146 -0.677 -2.718 188 H ALA 28 HN ALA 28 18.884 3.914 1.688 189 HA ALA 28 HA ALA 28 20.906 3.213 3.565 190 HB1 ALA 28 HB1 ALA 28 21.273 5.625 3.770 191 HB2 ALA 28 HB2 ALA 28 19.778 5.930 2.886 192 HB3 ALA 28 HB3 ALA 28 21.135 5.143 2.079 193 H CYS 29 HN CYS 29 17.596 4.071 3.776 194 HA CYS 29 HA CYS 29 17.678 4.585 6.629 195 HB2 CYS 29 HB2 CYS 29 15.352 4.330 4.702 196 HB3 CYS 29 HB1 CYS 29 15.216 4.814 6.390 197 H LYS 30 HN LYS 30 16.837 3.182 8.181 198 HA LYS 30 HA LYS 30 16.964 0.389 7.379 199 HB2 LYS 30 HB2 LYS 30 16.911 1.726 10.087 200 HB3 LYS 30 HB1 LYS 30 16.836 -0.017 9.886 201 HG2 LYS 30 HG2 LYS 30 19.092 0.603 10.387 202 HG3 LYS 30 HG1 LYS 30 19.021 0.070 8.708 203 HD2 LYS 30 HD2 LYS 30 18.842 2.488 8.054 204 HD3 LYS 30 HD1 LYS 30 19.169 2.897 9.737 205 HE2 LYS 30 HE2 LYS 30 21.321 1.828 9.630 206 HE3 LYS 30 HE1 LYS 30 20.988 1.235 8.005 207 HZ1 LYS 30 HZ1 LYS 30 22.391 3.173 7.911 208 HZ2 LYS 30 HZ2 LYS 30 21.279 4.081 8.804 209 HZ3 LYS 30 HZ3 LYS 30 20.879 3.549 7.247 210 H GLU 31 HN GLU 31 14.654 2.757 8.313 211 HA GLU 31 HA GLU 31 12.534 0.818 7.810 212 HB2 GLU 31 HB2 GLU 31 12.621 2.668 10.199 213 HB3 GLU 31 HB1 GLU 31 11.188 1.802 9.676 214 HG2 GLU 31 HG2 GLU 31 12.310 -0.318 10.063 215 HG3 GLU 31 HG1 GLU 31 13.768 0.538 10.561 216 H PHE 32 HN PHE 32 10.823 1.645 6.701 217 HA PHE 32 HA PHE 32 10.933 4.530 6.076 218 HB2 PHE 32 HB2 PHE 32 11.623 2.952 4.206 219 HB3 PHE 32 HB1 PHE 32 9.963 2.362 4.205 220 HD1 PHE 32 HD2 PHE 32 12.053 5.371 3.660 221 HD2 PHE 32 HD1 PHE 32 8.265 3.521 3.101 222 HE1 PHE 32 HE2 PHE 32 11.389 7.190 2.142 223 HE2 PHE 32 HE1 PHE 32 7.598 5.336 1.582 224 HZ PHE 32 HZ PHE 32 9.222 7.169 1.073 225 H THR 33 HN THR 33 9.081 5.648 6.307 226 HA THR 33 HA THR 33 6.713 4.114 7.160 227 HB THR 33 HB THR 33 7.568 6.902 7.969 228 HG1 THR 33 HG1 THR 33 8.714 5.745 9.331 229 HG21 THR 33 HG21 THR 33 5.224 5.248 8.921 230 HG22 THR 33 HG22 THR 33 5.121 6.672 7.886 231 HG23 THR 33 HG23 THR 33 5.700 6.829 9.543 232 H ILE 34 HN ILE 34 4.844 4.406 6.126 233 HA ILE 34 HA ILE 34 4.672 6.603 4.169 234 HB ILE 34 HB ILE 34 3.476 3.837 3.915 235 HG12 ILE 34 HG12 ILE 34 5.674 5.176 2.325 236 HG13 ILE 34 HG11 ILE 34 5.918 3.915 3.526 237 HG21 ILE 34 HG21 ILE 34 2.747 4.566 1.689 238 HG22 ILE 34 HG22 ILE 34 3.362 6.185 2.022 239 HG23 ILE 34 HG23 ILE 34 2.019 5.541 2.966 240 HD11 ILE 34 HD11 ILE 34 4.654 2.351 2.148 241 HD12 ILE 34 HD12 ILE 34 6.023 3.027 1.266 242 HD13 ILE 34 HD13 ILE 34 4.392 3.616 0.949 243 H THR 35 HN THR 35 2.983 7.922 4.398 244 HA THR 35 HA THR 35 0.820 7.088 6.214 245 HB THR 35 HB THR 35 1.708 9.887 5.481 246 HG1 THR 35 HG1 THR 35 1.991 8.357 7.880 247 HG21 THR 35 HG21 THR 35 0.165 10.606 7.261 248 HG22 THR 35 HG22 THR 35 -0.379 8.940 7.452 249 HG23 THR 35 HG23 THR 35 -0.688 9.801 5.944 250 H LEU 36 HN LEU 36 -1.136 6.803 5.382 251 HA LEU 36 HA LEU 36 -1.634 7.699 2.629 252 HB2 LEU 36 HB2 LEU 36 -1.830 5.265 3.164 253 HB3 LEU 36 HB1 LEU 36 -3.125 5.652 4.279 254 HG LEU 36 HG LEU 36 -4.416 6.589 2.334 255 HD11 LEU 36 HD11 LEU 36 -2.170 5.332 0.773 256 HD12 LEU 36 HD12 LEU 36 -2.637 7.033 0.789 257 HD13 LEU 36 HD13 LEU 36 -3.715 5.829 0.085 258 HD21 LEU 36 HD21 LEU 36 -3.627 3.679 2.207 259 HD22 LEU 36 HD22 LEU 36 -5.051 4.387 1.450 260 HD23 LEU 36 HD23 LEU 36 -4.900 4.376 3.207 261 H LYS 37 HN LYS 37 -2.979 9.335 2.302 262 HA LYS 37 HA LYS 37 -4.834 10.085 4.470 263 HB2 LYS 37 HB2 LYS 37 -3.561 11.822 2.337 264 HB3 LYS 37 HB1 LYS 37 -4.762 12.384 3.490 265 HG2 LYS 37 HG2 LYS 37 -2.056 11.287 4.232 266 HG3 LYS 37 HG1 LYS 37 -2.439 12.999 4.070 267 HD2 LYS 37 HD2 LYS 37 -4.239 12.635 5.806 268 HD3 LYS 37 HD1 LYS 37 -3.542 11.034 6.069 269 HE2 LYS 37 HE2 LYS 37 -2.657 12.564 7.707 270 HE3 LYS 37 HE1 LYS 37 -1.376 12.105 6.587 271 HZ1 LYS 37 HZ1 LYS 37 -1.646 14.193 5.437 272 HZ2 LYS 37 HZ2 LYS 37 -1.375 14.486 7.080 273 HZ3 LYS 37 HZ3 LYS 37 -2.935 14.627 6.443 274 H HIS 38 HN HIS 38 -6.801 9.319 3.972 275 HA HIS 38 HA HIS 38 -7.654 9.236 1.187 276 HB2 HIS 38 HB2 HIS 38 -8.181 7.325 2.685 277 HB3 HIS 38 HB1 HIS 38 -9.168 8.400 3.677 278 HD1 HIS 38 HD1 HIS 38 -9.567 9.074 0.095 279 HD2 HIS 38 HD2 HIS 38 -11.247 6.517 2.909 280 HE1 HIS 38 HE1 HIS 38 -11.753 8.317 -0.893 281 HE2 HIS 38 HE2 HIS 38 -12.586 6.548 0.708 282 H THR 39 HN THR 39 -7.931 11.310 0.574 283 HA THR 39 HA THR 39 -9.368 13.200 2.210 284 HB THR 39 HB THR 39 -8.993 14.706 0.198 285 HG1 THR 39 HG1 THR 39 -7.164 13.679 -1.129 286 HG21 THR 39 HG21 THR 39 -7.500 14.703 2.146 287 HG22 THR 39 HG22 THR 39 -6.599 14.967 0.653 288 HG23 THR 39 HG23 THR 39 -6.573 13.384 1.432 289 H GLY 40 HN GLY 40 -11.133 11.336 1.935 290 HA2 GLY 40 HA2 GLY 40 -13.119 12.535 0.143 291 HA3 GLY 40 HA1 GLY 40 -12.846 10.795 0.029 292 H THR 41 HN THR 41 -15.338 11.923 0.741 293 HA THR 41 HA THR 41 -15.479 11.589 3.659 294 HB THR 41 HB THR 41 -17.799 12.624 3.323 295 HG1 THR 41 HG1 THR 41 -17.664 12.279 0.947 296 HG21 THR 41 HG21 THR 41 -15.337 14.254 2.678 297 HG22 THR 41 HG22 THR 41 -15.919 13.848 4.292 298 HG23 THR 41 HG23 THR 41 -16.875 14.901 3.251 299 H GLN 42 HN GLN 42 -15.499 9.466 1.466 300 HA GLN 42 HA GLN 42 -18.141 8.306 1.920 301 HB2 GLN 42 HB2 GLN 42 -15.987 7.738 -0.108 302 HB3 GLN 42 HB1 GLN 42 -17.334 6.639 0.141 303 HG2 GLN 42 HG2 GLN 42 -17.868 8.002 -1.723 304 HG3 GLN 42 HG1 GLN 42 -18.874 8.545 -0.387 305 HE21 GLN 42 HE21 GLN 42 -16.260 9.324 -2.501 306 HE22 GLN 42 HE22 GLN 42 -16.167 11.006 -2.100 307 HA PRO 43 HA PRO 43 -16.600 5.625 5.026 308 HB2 PRO 43 HB2 PRO 43 -18.488 3.668 4.869 309 HB3 PRO 43 HB1 PRO 43 -18.787 5.250 5.594 310 HG2 PRO 43 HG2 PRO 43 -19.445 4.276 2.836 311 HG3 PRO 43 HG1 PRO 43 -20.462 5.194 3.970 312 HD2 PRO 43 HD2 PRO 43 -19.180 6.397 1.939 313 HD3 PRO 43 HD1 PRO 43 -19.370 7.197 3.517 314 H LYS 44 HN LYS 44 -15.605 3.606 5.371 315 HA LYS 44 HA LYS 44 -14.046 2.820 3.145 316 HB2 LYS 44 HB2 LYS 44 -12.885 1.341 4.651 317 HB3 LYS 44 HB1 LYS 44 -13.196 2.856 5.479 318 HG2 LYS 44 HG2 LYS 44 -15.026 1.844 6.704 319 HG3 LYS 44 HG1 LYS 44 -14.809 0.336 5.815 320 HD2 LYS 44 HD2 LYS 44 -12.568 0.097 6.754 321 HD3 LYS 44 HD1 LYS 44 -12.762 1.618 7.626 322 HE2 LYS 44 HE2 LYS 44 -14.644 0.651 8.868 323 HE3 LYS 44 HE1 LYS 44 -14.427 -0.869 8.001 324 HZ1 LYS 44 HZ1 LYS 44 -12.215 -1.056 8.965 325 HZ2 LYS 44 HZ2 LYS 44 -13.391 -0.948 10.174 326 HZ3 LYS 44 HZ3 LYS 44 -12.437 0.395 9.806 327 H ALA 45 HN ALA 45 -17.000 1.644 4.395 328 HA ALA 45 HA ALA 45 -16.798 -1.001 3.310 329 HB1 ALA 45 HB1 ALA 45 -18.244 -0.507 5.217 330 HB2 ALA 45 HB2 ALA 45 -19.161 -1.192 3.874 331 HB3 ALA 45 HB3 ALA 45 -19.232 0.541 4.198 332 H SER 46 HN SER 46 -17.239 2.016 1.913 333 HA SER 46 HA SER 46 -18.509 0.802 -0.452 334 HB2 SER 46 HB2 SER 46 -20.014 2.416 0.678 335 HB3 SER 46 HB1 SER 46 -18.789 3.670 0.492 336 HG SER 46 HG SER 46 -19.771 2.247 -1.740 337 H MET 47 HN MET 47 -16.492 3.572 0.559 338 HA MET 47 HA MET 47 -14.772 3.023 -1.767 339 HB2 MET 47 HB2 MET 47 -16.108 5.040 -2.218 340 HB3 MET 47 HB1 MET 47 -15.557 5.754 -0.713 341 HG2 MET 47 HG2 MET 47 -14.338 6.721 -2.534 342 HG3 MET 47 HG1 MET 47 -13.241 5.720 -1.583 343 HE1 MET 47 HE1 MET 47 -15.242 6.102 -4.897 344 HE2 MET 47 HE2 MET 47 -15.930 4.601 -4.278 345 HE3 MET 47 HE3 MET 47 -14.919 4.578 -5.719 346 H GLY 48 HN GLY 48 -13.850 1.729 0.044 347 HA2 GLY 48 HA2 GLY 48 -12.263 3.305 1.929 348 HA3 GLY 48 HA1 GLY 48 -12.501 1.559 1.976 349 H HIS 49 HN HIS 49 -10.007 3.037 2.108 350 HA HIS 49 HA HIS 49 -8.720 1.768 -0.205 351 HB2 HIS 49 HB2 HIS 49 -8.066 4.527 0.859 352 HB3 HIS 49 HB1 HIS 49 -7.089 3.654 -0.317 353 HD2 HIS 49 HD2 HIS 49 -9.424 6.399 -0.378 354 HE1 HIS 49 HE1 HIS 49 -10.276 4.279 -3.933 355 HE2 HIS 49 HE2 HIS 49 -10.352 6.536 -2.799 356 H ASN 50 HN ASN 50 -6.666 0.988 0.138 357 HA ASN 50 HA ASN 50 -5.365 1.505 2.678 358 HB2 ASN 50 HB2 ASN 50 -4.976 -0.844 3.189 359 HB3 ASN 50 HB1 ASN 50 -6.702 -0.546 3.087 360 HD21 ASN 50 HD21 ASN 50 -7.184 -2.689 2.724 361 HD22 ASN 50 HD22 ASN 50 -6.818 -3.493 1.230 362 H LEU 51 HN LEU 51 -3.078 0.553 2.598 363 HA LEU 51 HA LEU 51 -2.146 0.327 -0.173 364 HB2 LEU 51 HB2 LEU 51 -1.805 2.643 0.749 365 HB3 LEU 51 HB1 LEU 51 -0.741 1.946 1.957 366 HG LEU 51 HG LEU 51 -0.131 1.452 -0.927 367 HD11 LEU 51 HD11 LEU 51 -0.597 3.845 -0.842 368 HD12 LEU 51 HD12 LEU 51 1.130 3.548 -1.034 369 HD13 LEU 51 HD13 LEU 51 0.486 4.018 0.537 370 HD21 LEU 51 HD21 LEU 51 1.186 0.383 0.860 371 HD22 LEU 51 HD22 LEU 51 1.599 1.978 1.492 372 HD23 LEU 51 HD23 LEU 51 2.157 1.494 -0.108 373 H VAL 52 HN VAL 52 -1.222 -1.561 -0.403 374 HA VAL 52 HA VAL 52 0.335 -2.669 1.842 375 HB VAL 52 HB VAL 52 -1.730 -3.983 1.200 376 HG11 VAL 52 HG11 VAL 52 -1.723 -3.639 -1.182 377 HG12 VAL 52 HG12 VAL 52 -1.604 -5.365 -0.835 378 HG13 VAL 52 HG13 VAL 52 -0.170 -4.462 -1.327 379 HG21 VAL 52 HG21 VAL 52 -0.633 -6.161 1.249 380 HG22 VAL 52 HG22 VAL 52 0.137 -5.042 2.373 381 HG23 VAL 52 HG23 VAL 52 0.904 -5.407 0.828 382 H ILE 53 HN ILE 53 2.344 -3.546 1.372 383 HA ILE 53 HA ILE 53 3.306 -3.151 -1.381 384 HB ILE 53 HB ILE 53 4.773 -2.681 1.215 385 HG12 ILE 53 HG12 ILE 53 4.134 -0.916 -1.164 386 HG13 ILE 53 HG11 ILE 53 3.418 -0.809 0.443 387 HG21 ILE 53 HG21 ILE 53 5.901 -2.795 -1.580 388 HG22 ILE 53 HG22 ILE 53 6.271 -3.892 -0.250 389 HG23 ILE 53 HG23 ILE 53 6.768 -2.202 -0.164 390 HD11 ILE 53 HD11 ILE 53 6.311 -0.310 -0.216 391 HD12 ILE 53 HD12 ILE 53 5.554 -0.139 1.368 392 HD13 ILE 53 HD13 ILE 53 5.086 0.931 0.046 393 H ALA 54 HN ALA 54 3.948 -4.925 -2.364 394 HA ALA 54 HA ALA 54 5.145 -7.108 -0.854 395 HB1 ALA 54 HB1 ALA 54 2.687 -7.511 -2.556 396 HB2 ALA 54 HB2 ALA 54 2.746 -7.597 -0.795 397 HB3 ALA 54 HB3 ALA 54 3.620 -8.782 -1.765 398 H LYS 55 HN LYS 55 5.699 -8.938 -2.488 399 HA LYS 55 HA LYS 55 7.365 -7.759 -4.491 400 HB2 LYS 55 HB2 LYS 55 7.993 -9.731 -3.102 401 HB3 LYS 55 HB1 LYS 55 6.766 -10.674 -3.933 402 HG2 LYS 55 HG2 LYS 55 7.954 -10.540 -5.996 403 HG3 LYS 55 HG1 LYS 55 9.098 -9.375 -5.324 404 HD2 LYS 55 HD2 LYS 55 9.960 -11.033 -3.795 405 HD3 LYS 55 HD1 LYS 55 8.733 -12.196 -4.312 406 HE2 LYS 55 HE2 LYS 55 9.702 -12.258 -6.540 407 HE3 LYS 55 HE1 LYS 55 10.885 -11.036 -6.081 408 HZ1 LYS 55 HZ1 LYS 55 11.796 -13.290 -6.014 409 HZ2 LYS 55 HZ2 LYS 55 10.658 -13.726 -4.847 410 HZ3 LYS 55 HZ3 LYS 55 11.833 -12.557 -4.487 411 H ALA 56 HN ALA 56 7.007 -7.561 -6.605 412 HA ALA 56 HA ALA 56 4.391 -7.356 -7.506 413 HB1 ALA 56 HB1 ALA 56 6.860 -7.543 -9.209 414 HB2 ALA 56 HB2 ALA 56 6.319 -6.091 -8.368 415 HB3 ALA 56 HB3 ALA 56 5.324 -6.794 -9.644 416 H GLU 57 HN GLU 57 6.616 -10.034 -7.846 417 HA GLU 57 HA GLU 57 5.108 -11.266 -9.959 418 HB2 GLU 57 HB2 GLU 57 7.422 -12.269 -8.304 419 HB3 GLU 57 HB1 GLU 57 6.716 -13.145 -9.657 420 HG2 GLU 57 HG2 GLU 57 8.006 -10.428 -9.808 421 HG3 GLU 57 HG1 GLU 57 8.743 -11.949 -10.304 422 H ASP 58 HN ASP 58 4.755 -11.108 -6.633 423 HA ASP 58 HA ASP 58 2.954 -13.443 -6.710 424 HB2 ASP 58 HB2 ASP 58 4.925 -13.820 -5.249 425 HB3 ASP 58 HB1 ASP 58 4.483 -12.401 -4.314 426 H MET 59 HN MET 59 2.906 -10.328 -7.010 427 HA MET 59 HA MET 59 1.383 -9.276 -4.876 428 HB2 MET 59 HB2 MET 59 2.739 -8.001 -6.619 429 HB3 MET 59 HB1 MET 59 1.381 -8.244 -7.714 430 HG2 MET 59 HG2 MET 59 1.227 -6.067 -6.741 431 HG3 MET 59 HG1 MET 59 -0.073 -7.071 -6.098 432 HE1 MET 59 HE1 MET 59 0.953 -4.281 -4.856 433 HE2 MET 59 HE2 MET 59 0.932 -4.652 -3.133 434 HE3 MET 59 HE3 MET 59 -0.393 -5.188 -4.166 435 H ASP 60 HN ASP 60 0.524 -10.831 -7.893 436 HA ASP 60 HA ASP 60 -2.208 -10.184 -7.932 437 HB2 ASP 60 HB2 ASP 60 -0.651 -12.476 -9.111 438 HB3 ASP 60 HB1 ASP 60 -2.389 -12.322 -9.331 439 H GLY 61 HN GLY 61 -0.408 -12.727 -6.325 440 HA2 GLY 61 HA2 GLY 61 -2.665 -14.221 -5.453 441 HA3 GLY 61 HA1 GLY 61 -1.044 -14.306 -4.778 442 H VAL 62 HN VAL 62 -1.026 -11.403 -4.272 443 HA VAL 62 HA VAL 62 -1.961 -11.467 -1.607 444 HB VAL 62 HB VAL 62 -1.219 -9.030 -3.243 445 HG11 VAL 62 HG11 VAL 62 -1.227 -9.467 -0.257 446 HG12 VAL 62 HG12 VAL 62 -2.400 -8.511 -1.163 447 HG13 VAL 62 HG13 VAL 62 -0.713 -8.001 -1.092 448 HG21 VAL 62 HG21 VAL 62 0.612 -10.599 -3.312 449 HG22 VAL 62 HG22 VAL 62 0.508 -10.858 -1.573 450 HG23 VAL 62 HG23 VAL 62 1.023 -9.294 -2.202 451 H PHE 63 HN PHE 63 -3.243 -10.036 -4.578 452 HA PHE 63 HA PHE 63 -5.483 -8.784 -3.359 453 HB2 PHE 63 HB2 PHE 63 -5.133 -9.707 -6.224 454 HB3 PHE 63 HB1 PHE 63 -6.407 -8.633 -5.646 455 HD1 PHE 63 HD1 PHE 63 -5.415 -6.557 -4.235 456 HD2 PHE 63 HD2 PHE 63 -3.370 -8.710 -7.282 457 HE1 PHE 63 HE1 PHE 63 -3.960 -4.615 -4.625 458 HE2 PHE 63 HE2 PHE 63 -1.907 -6.776 -7.676 459 HZ PHE 63 HZ PHE 63 -2.201 -4.724 -6.347 460 H LYS 64 HN LYS 64 -4.856 -12.002 -4.547 461 HA LYS 64 HA LYS 64 -7.568 -12.873 -4.626 462 HB2 LYS 64 HB2 LYS 64 -5.031 -14.500 -4.339 463 HB3 LYS 64 HB1 LYS 64 -6.618 -15.149 -4.724 464 HG2 LYS 64 HG2 LYS 64 -6.635 -13.917 -6.823 465 HG3 LYS 64 HG1 LYS 64 -5.064 -13.214 -6.434 466 HD2 LYS 64 HD2 LYS 64 -4.727 -15.040 -7.950 467 HD3 LYS 64 HD1 LYS 64 -4.124 -15.516 -6.364 468 HE2 LYS 64 HE2 LYS 64 -6.163 -16.769 -5.946 469 HE3 LYS 64 HE1 LYS 64 -6.819 -16.256 -7.499 470 HZ1 LYS 64 HZ1 LYS 64 -4.396 -17.928 -7.110 471 HZ2 LYS 64 HZ2 LYS 64 -5.025 -17.438 -8.599 472 HZ3 LYS 64 HZ3 LYS 64 -5.912 -18.486 -7.615 473 H ASP 65 HN ASP 65 -5.005 -13.000 -2.201 474 HA ASP 65 HA ASP 65 -6.589 -14.370 -0.256 475 HB2 ASP 65 HB2 ASP 65 -4.032 -12.781 -0.071 476 HB3 ASP 65 HB1 ASP 65 -4.808 -13.470 1.346 477 H GLY 66 HN GLY 66 -6.191 -11.095 -1.250 478 HA2 GLY 66 HA2 GLY 66 -7.033 -9.854 1.165 479 HA3 GLY 66 HA1 GLY 66 -6.904 -9.082 -0.407 480 H VAL 67 HN VAL 67 -8.724 -10.625 -1.858 481 HA VAL 67 HA VAL 67 -11.097 -9.262 -1.178 482 HB VAL 67 HB VAL 67 -10.507 -9.884 -3.491 483 HG11 VAL 67 HG11 VAL 67 -11.242 -12.685 -2.667 484 HG12 VAL 67 HG12 VAL 67 -9.627 -12.115 -3.083 485 HG13 VAL 67 HG13 VAL 67 -10.894 -12.146 -4.309 486 HG21 VAL 67 HG21 VAL 67 -13.163 -10.966 -2.558 487 HG22 VAL 67 HG22 VAL 67 -12.756 -10.550 -4.223 488 HG23 VAL 67 HG23 VAL 67 -12.807 -9.293 -2.987 489 H GLY 68 HN GLY 68 -9.851 -12.281 -0.139 490 HA2 GLY 68 HA2 GLY 68 -12.490 -13.105 0.860 491 HA3 GLY 68 HA1 GLY 68 -11.068 -14.135 0.768 492 H ALA 69 HN ALA 69 -10.506 -10.973 1.956 493 HA ALA 69 HA ALA 69 -10.631 -11.949 4.727 494 HB1 ALA 69 HB1 ALA 69 -8.327 -12.149 3.840 495 HB2 ALA 69 HB2 ALA 69 -8.458 -11.050 5.213 496 HB3 ALA 69 HB3 ALA 69 -8.315 -10.404 3.579 497 H ALA 70 HN ALA 70 -12.629 -10.426 3.772 498 HA ALA 70 HA ALA 70 -12.324 -7.641 3.878 499 HB1 ALA 70 HB1 ALA 70 -14.299 -8.748 2.948 500 HB2 ALA 70 HB2 ALA 70 -14.743 -7.556 4.169 501 HB3 ALA 70 HB3 ALA 70 -14.765 -9.275 4.563 502 H ASP 71 HN ASP 71 -12.738 -10.012 6.400 503 HA ASP 71 HA ASP 71 -13.536 -8.235 8.463 504 HB2 ASP 71 HB2 ASP 71 -13.124 -10.081 9.983 505 HB3 ASP 71 HB1 ASP 71 -13.922 -10.686 8.536 506 H THR 72 HN THR 72 -10.526 -8.743 6.977 507 HA THR 72 HA THR 72 -9.220 -7.340 9.183 508 HB THR 72 HB THR 72 -8.477 -9.564 9.504 509 HG1 THR 72 HG1 THR 72 -6.472 -8.185 8.017 510 HG21 THR 72 HG21 THR 72 -7.829 -9.653 6.562 511 HG22 THR 72 HG22 THR 72 -9.122 -10.535 7.379 512 HG23 THR 72 HG23 THR 72 -7.435 -10.913 7.731 513 H ASP 73 HN ASP 73 -10.167 -5.884 7.272 514 HA ASP 73 HA ASP 73 -9.660 -4.190 5.862 515 HB2 ASP 73 HB2 ASP 73 -6.871 -4.714 6.899 516 HB3 ASP 73 HB1 ASP 73 -7.338 -3.299 5.962 517 H TYR 74 HN TYR 74 -9.580 -6.937 4.815 518 HA TYR 74 HA TYR 74 -9.258 -7.991 2.860 519 HB2 TYR 74 HB2 TYR 74 -8.728 -5.172 1.941 520 HB3 TYR 74 HB1 TYR 74 -8.708 -6.545 0.835 521 HD1 TYR 74 HD1 TYR 74 -10.893 -8.138 1.208 522 HD2 TYR 74 HD2 TYR 74 -10.667 -3.964 1.979 523 HE1 TYR 74 HE1 TYR 74 -13.332 -7.963 0.945 524 HE2 TYR 74 HE2 TYR 74 -13.100 -3.776 1.723 525 HH TYR 74 HH TYR 74 -15.160 -6.451 1.687 526 H VAL 75 HN VAL 75 -7.084 -7.968 4.686 527 HA VAL 75 HA VAL 75 -5.107 -8.879 2.736 528 HB VAL 75 HB VAL 75 -3.232 -8.192 4.259 529 HG11 VAL 75 HG11 VAL 75 -3.133 -5.891 3.444 530 HG12 VAL 75 HG12 VAL 75 -4.848 -5.959 3.041 531 HG13 VAL 75 HG13 VAL 75 -3.700 -6.995 2.192 532 HG21 VAL 75 HG21 VAL 75 -3.601 -6.369 5.834 533 HG22 VAL 75 HG22 VAL 75 -4.539 -7.793 6.282 534 HG23 VAL 75 HG23 VAL 75 -5.334 -6.423 5.507 535 H LYS 76 HN LYS 76 -4.566 -10.920 3.107 536 HA LYS 76 HA LYS 76 -5.539 -12.300 5.403 537 HB2 LYS 76 HB2 LYS 76 -5.310 -13.384 3.191 538 HB3 LYS 76 HB1 LYS 76 -3.563 -13.219 3.302 539 HG2 LYS 76 HG2 LYS 76 -3.555 -14.676 5.266 540 HG3 LYS 76 HG1 LYS 76 -5.306 -14.848 5.139 541 HD2 LYS 76 HD2 LYS 76 -5.035 -15.839 2.910 542 HD3 LYS 76 HD1 LYS 76 -3.284 -15.689 3.065 543 HE2 LYS 76 HE2 LYS 76 -3.326 -17.173 5.004 544 HE3 LYS 76 HE1 LYS 76 -5.077 -17.315 4.865 545 HZ1 LYS 76 HZ1 LYS 76 -3.938 -19.204 3.884 546 HZ2 LYS 76 HZ2 LYS 76 -3.112 -18.184 2.817 547 HZ3 LYS 76 HZ3 LYS 76 -4.794 -18.342 2.708 548 HA PRO 77 HA PRO 77 -2.069 -11.392 8.061 549 HB2 PRO 77 HB2 PRO 77 -2.892 -13.770 9.585 550 HB3 PRO 77 HB1 PRO 77 -2.825 -12.080 10.096 551 HG2 PRO 77 HG2 PRO 77 -5.162 -13.337 9.689 552 HG3 PRO 77 HG1 PRO 77 -4.944 -11.619 9.307 553 HD2 PRO 77 HD2 PRO 77 -4.945 -13.988 7.463 554 HD3 PRO 77 HD1 PRO 77 -5.688 -12.385 7.243 555 H ASP 78 HN ASP 78 -1.260 -12.678 5.814 556 HA ASP 78 HA ASP 78 0.140 -15.113 6.527 557 HB2 ASP 78 HB2 ASP 78 -0.722 -15.012 4.288 558 HB3 ASP 78 HB1 ASP 78 0.047 -13.454 4.002 559 H ASP 79 HN ASP 79 0.737 -11.721 6.189 560 HA ASP 79 HA ASP 79 2.388 -10.382 6.946 561 HB2 ASP 79 HB2 ASP 79 3.190 -12.934 8.244 562 HB3 ASP 79 HB1 ASP 79 4.364 -11.623 8.196 563 H ALA 80 HN ALA 80 3.522 -13.287 5.268 564 HA ALA 80 HA ALA 80 5.938 -12.042 4.372 565 HB1 ALA 80 HB1 ALA 80 5.777 -14.465 4.536 566 HB2 ALA 80 HB2 ALA 80 6.155 -13.972 2.887 567 HB3 ALA 80 HB3 ALA 80 4.518 -14.475 3.302 568 H ARG 81 HN ARG 81 2.729 -12.571 2.996 569 HA ARG 81 HA ARG 81 3.363 -11.168 0.561 570 HB2 ARG 81 HB2 ARG 81 0.843 -12.295 1.736 571 HB3 ARG 81 HB1 ARG 81 0.777 -11.233 0.339 572 HG2 ARG 81 HG2 ARG 81 2.325 -12.770 -0.835 573 HG3 ARG 81 HG1 ARG 81 2.217 -13.862 0.543 574 HD2 ARG 81 HD2 ARG 81 -0.014 -14.374 0.119 575 HD3 ARG 81 HD1 ARG 81 -0.258 -12.923 -0.857 576 HE ARG 81 HE ARG 81 1.614 -14.301 -2.247 577 HH11 ARG 81 HH11 ARG 81 -1.574 -15.168 -1.020 578 HH12 ARG 81 HH12 ARG 81 -1.870 -16.296 -2.311 579 HH21 ARG 81 HH21 ARG 81 1.198 -15.751 -3.918 580 HH22 ARG 81 HH22 ARG 81 -0.306 -16.634 -3.950 581 H VAL 82 HN VAL 82 2.977 -10.116 3.625 582 HA VAL 82 HA VAL 82 1.982 -7.507 2.717 583 HB VAL 82 HB VAL 82 1.331 -8.745 5.401 584 HG11 VAL 82 HG11 VAL 82 -0.182 -6.849 5.662 585 HG12 VAL 82 HG12 VAL 82 0.326 -6.221 4.095 586 HG13 VAL 82 HG13 VAL 82 1.480 -6.305 5.425 587 HG21 VAL 82 HG21 VAL 82 -0.459 -8.378 2.997 588 HG22 VAL 82 HG22 VAL 82 -0.975 -8.937 4.589 589 HG23 VAL 82 HG23 VAL 82 0.134 -9.915 3.627 590 H VAL 83 HN VAL 83 4.205 -6.906 2.542 591 HA VAL 83 HA VAL 83 6.055 -7.032 4.667 592 HB VAL 83 HB VAL 83 5.885 -5.053 2.380 593 HG11 VAL 83 HG11 VAL 83 7.237 -4.174 4.222 594 HG12 VAL 83 HG12 VAL 83 8.228 -4.563 2.816 595 HG13 VAL 83 HG13 VAL 83 8.210 -5.646 4.208 596 HG21 VAL 83 HG21 VAL 83 6.141 -7.308 1.577 597 HG22 VAL 83 HG22 VAL 83 7.447 -7.608 2.723 598 HG23 VAL 83 HG23 VAL 83 7.677 -6.460 1.405 599 H ALA 84 HN ALA 84 3.673 -4.661 3.707 600 HA ALA 84 HA ALA 84 3.339 -3.740 6.387 601 HB1 ALA 84 HB1 ALA 84 3.862 -1.385 5.954 602 HB2 ALA 84 HB2 ALA 84 4.450 -1.812 4.346 603 HB3 ALA 84 HB3 ALA 84 5.288 -2.405 5.780 604 H HIS 85 HN HIS 85 1.411 -2.442 6.587 605 HA HIS 85 HA HIS 85 -0.163 -1.963 4.208 606 HB2 HIS 85 HB2 HIS 85 -0.503 -4.369 4.577 607 HB3 HIS 85 HB1 HIS 85 -1.033 -4.047 6.219 608 HD1 HIS 85 HD1 HIS 85 -3.473 -4.049 6.469 609 HD2 HIS 85 HD2 HIS 85 -2.329 -2.887 2.649 610 HE1 HIS 85 HE1 HIS 85 -5.610 -3.756 5.185 611 HE2 HIS 85 HE2 HIS 85 -4.885 -3.238 2.831 612 H THR 86 HN THR 86 -1.473 -0.290 4.509 613 HA THR 86 HA THR 86 -1.988 0.718 7.184 614 HB THR 86 HB THR 86 -3.221 2.532 5.938 615 HG1 THR 86 HG1 THR 86 -3.129 2.559 3.730 616 HG21 THR 86 HG21 THR 86 -0.782 2.657 6.585 617 HG22 THR 86 HG22 THR 86 -1.269 3.686 5.240 618 HG23 THR 86 HG23 THR 86 -0.406 2.184 4.928 619 H LYS 87 HN LYS 87 -4.032 0.840 8.116 620 HA LYS 87 HA LYS 87 -5.881 -1.213 7.475 621 HB2 LYS 87 HB2 LYS 87 -6.290 1.198 9.260 622 HB3 LYS 87 HB1 LYS 87 -7.230 -0.288 9.282 623 HG2 LYS 87 HG2 LYS 87 -5.339 -1.542 10.061 624 HG3 LYS 87 HG1 LYS 87 -4.287 -0.138 9.882 625 HD2 LYS 87 HD2 LYS 87 -4.866 -0.425 12.206 626 HD3 LYS 87 HD1 LYS 87 -5.626 1.042 11.589 627 HE2 LYS 87 HE2 LYS 87 -7.736 -0.123 11.353 628 HE3 LYS 87 HE1 LYS 87 -6.987 -1.629 11.876 629 HZ1 LYS 87 HZ1 LYS 87 -8.187 -0.599 13.681 630 HZ2 LYS 87 HZ2 LYS 87 -7.292 0.826 13.518 631 HZ3 LYS 87 HZ3 LYS 87 -6.530 -0.598 14.022 632 H LEU 88 HN LEU 88 -8.091 -0.988 6.831 633 HA LEU 88 HA LEU 88 -8.524 0.688 4.606 634 HB2 LEU 88 HB2 LEU 88 -10.385 -0.922 6.334 635 HB3 LEU 88 HB1 LEU 88 -10.991 0.066 5.022 636 HG LEU 88 HG LEU 88 -9.079 -2.257 4.733 637 HD11 LEU 88 HD11 LEU 88 -11.957 -2.008 3.872 638 HD12 LEU 88 HD12 LEU 88 -11.438 -2.813 5.351 639 HD13 LEU 88 HD13 LEU 88 -10.930 -3.438 3.788 640 HD21 LEU 88 HD21 LEU 88 -9.394 -1.960 2.337 641 HD22 LEU 88 HD22 LEU 88 -8.713 -0.498 3.047 642 HD23 LEU 88 HD23 LEU 88 -10.423 -0.560 2.627 643 H ILE 89 HN ILE 89 -8.789 2.796 4.628 644 HA ILE 89 HA ILE 89 -10.029 4.014 6.998 645 HB ILE 89 HB ILE 89 -8.914 6.134 6.208 646 HG12 ILE 89 HG12 ILE 89 -7.373 4.184 4.477 647 HG13 ILE 89 HG11 ILE 89 -8.450 5.448 3.892 648 HG21 ILE 89 HG21 ILE 89 -7.166 3.811 7.001 649 HG22 ILE 89 HG22 ILE 89 -8.108 4.825 8.093 650 HG23 ILE 89 HG23 ILE 89 -6.759 5.516 7.190 651 HD11 ILE 89 HD11 ILE 89 -6.154 6.134 3.663 652 HD12 ILE 89 HD12 ILE 89 -5.864 5.842 5.377 653 HD13 ILE 89 HD13 ILE 89 -6.953 7.134 4.874 654 H GLY 90 HN GLY 90 -11.760 5.246 6.849 655 HA2 GLY 90 HA2 GLY 90 -13.089 5.350 4.231 656 HA3 GLY 90 HA1 GLY 90 -13.875 5.479 5.798 657 H GLY 91 HN GLY 91 -14.896 7.378 5.670 658 HA2 GLY 91 HA2 GLY 91 -13.913 9.583 4.181 659 HA3 GLY 91 HA1 GLY 91 -15.310 9.589 5.244 660 H GLY 92 HN GLY 92 -12.164 10.706 4.803 661 HA2 GLY 92 HA2 GLY 92 -11.091 12.364 6.002 662 HA3 GLY 92 HA1 GLY 92 -12.386 12.284 7.190 663 H GLU 93 HN GLU 93 -10.570 9.447 6.257 664 HA GLU 93 HA GLU 93 -9.321 9.507 8.920 665 HB2 GLU 93 HB2 GLU 93 -10.175 7.131 7.266 666 HB3 GLU 93 HB1 GLU 93 -9.263 7.017 8.766 667 HG2 GLU 93 HG2 GLU 93 -11.165 8.190 9.898 668 HG3 GLU 93 HG1 GLU 93 -12.072 8.025 8.395 669 H GLU 94 HN GLU 94 -7.270 8.373 9.100 670 HA GLU 94 HA GLU 94 -5.703 8.194 6.642 671 HB2 GLU 94 HB2 GLU 94 -3.881 9.551 7.616 672 HB3 GLU 94 HB1 GLU 94 -5.353 10.496 7.412 673 HG2 GLU 94 HG2 GLU 94 -5.827 10.404 9.738 674 HG3 GLU 94 HG1 GLU 94 -4.546 9.221 10.009 675 H SER 95 HN SER 95 -3.792 6.920 6.887 676 HA SER 95 HA SER 95 -3.300 5.701 9.476 677 HB2 SER 95 HB2 SER 95 -3.340 3.389 8.399 678 HB3 SER 95 HB1 SER 95 -4.913 4.141 8.666 679 HG SER 95 HG SER 95 -5.150 3.658 6.618 680 H SER 96 HN SER 96 -1.245 4.634 9.594 681 HA SER 96 HA SER 96 0.533 5.197 7.325 682 HB2 SER 96 HB2 SER 96 1.138 5.652 10.261 683 HB3 SER 96 HB1 SER 96 2.308 5.812 8.951 684 HG SER 96 HG SER 96 -0.113 7.294 9.108 685 H LEU 97 HN LEU 97 2.425 3.880 7.232 686 HA LEU 97 HA LEU 97 2.466 1.518 8.959 687 HB2 LEU 97 HB2 LEU 97 2.936 0.062 7.021 688 HB3 LEU 97 HB1 LEU 97 1.327 0.751 6.979 689 HG LEU 97 HG LEU 97 2.327 2.508 5.365 690 HD11 LEU 97 HD11 LEU 97 4.420 0.359 5.059 691 HD12 LEU 97 HD12 LEU 97 4.693 1.943 5.775 692 HD13 LEU 97 HD13 LEU 97 4.250 1.809 4.075 693 HD21 LEU 97 HD21 LEU 97 1.889 1.113 3.465 694 HD22 LEU 97 HD22 LEU 97 0.769 0.667 4.750 695 HD23 LEU 97 HD23 LEU 97 2.171 -0.344 4.412 696 H THR 98 HN THR 98 4.567 0.433 8.929 697 HA THR 98 HA THR 98 6.749 2.040 7.809 698 HB THR 98 HB THR 98 6.790 0.848 10.592 699 HG1 THR 98 HG1 THR 98 6.784 3.617 9.901 700 HG21 THR 98 HG21 THR 98 8.895 2.076 10.837 701 HG22 THR 98 HG22 THR 98 8.768 2.629 9.167 702 HG23 THR 98 HG23 THR 98 8.986 0.912 9.514 703 H LEU 99 HN LEU 99 8.281 0.821 6.813 704 HA LEU 99 HA LEU 99 8.096 -2.099 7.152 705 HB2 LEU 99 HB2 LEU 99 8.281 -2.390 4.742 706 HB3 LEU 99 HB1 LEU 99 6.860 -1.448 5.150 707 HG LEU 99 HG LEU 99 8.610 0.551 4.668 708 HD11 LEU 99 HD11 LEU 99 10.435 -0.935 4.056 709 HD12 LEU 99 HD12 LEU 99 9.893 -0.014 2.651 710 HD13 LEU 99 HD13 LEU 99 9.420 -1.702 2.834 711 HD21 LEU 99 HD21 LEU 99 6.413 0.384 3.694 712 HD22 LEU 99 HD22 LEU 99 6.938 -0.947 2.661 713 HD23 LEU 99 HD23 LEU 99 7.597 0.670 2.417 714 H ASP 100 HN ASP 100 9.967 -3.286 6.484 715 HA ASP 100 HA ASP 100 12.444 -1.783 6.824 716 HB2 ASP 100 HB2 ASP 100 11.727 -4.696 7.021 717 HB3 ASP 100 HB1 ASP 100 13.405 -4.206 6.831 718 HA PRO 101 HA PRO 101 12.576 -1.697 2.360 719 HB2 PRO 101 HB2 PRO 101 15.007 -0.464 2.152 720 HB3 PRO 101 HB1 PRO 101 13.493 0.384 2.475 721 HG2 PRO 101 HG2 PRO 101 15.626 -0.482 4.379 722 HG3 PRO 101 HG1 PRO 101 14.704 1.037 4.334 723 HD2 PRO 101 HD2 PRO 101 14.119 -0.940 6.067 724 HD3 PRO 101 HD1 PRO 101 12.858 0.092 5.358 725 H ALA 102 HN ALA 102 14.947 -3.181 4.387 726 HA ALA 102 HA ALA 102 16.686 -4.227 2.457 727 HB1 ALA 102 HB1 ALA 102 15.924 -5.370 5.140 728 HB2 ALA 102 HB2 ALA 102 17.216 -4.209 4.833 729 HB3 ALA 102 HB3 ALA 102 17.325 -5.846 4.182 730 H LYS 103 HN LYS 103 13.464 -5.061 3.297 731 HA LYS 103 HA LYS 103 13.582 -7.747 2.257 732 HB2 LYS 103 HB2 LYS 103 11.245 -6.021 3.095 733 HB3 LYS 103 HB1 LYS 103 11.117 -7.711 2.621 734 HG2 LYS 103 HG2 LYS 103 12.406 -8.415 4.493 735 HG3 LYS 103 HG1 LYS 103 12.833 -6.753 4.896 736 HD2 LYS 103 HD2 LYS 103 11.125 -7.542 6.402 737 HD3 LYS 103 HD1 LYS 103 10.458 -6.286 5.362 738 HE2 LYS 103 HE2 LYS 103 9.327 -7.911 4.020 739 HE3 LYS 103 HE1 LYS 103 10.147 -9.239 4.842 740 HZ1 LYS 103 HZ1 LYS 103 9.000 -8.652 6.874 741 HZ2 LYS 103 HZ2 LYS 103 7.880 -8.942 5.646 742 HZ3 LYS 103 HZ3 LYS 103 8.233 -7.354 6.111 743 H LEU 104 HN LEU 104 13.042 -4.590 1.020 744 HA LEU 104 HA LEU 104 11.619 -5.480 -1.340 745 HB2 LEU 104 HB2 LEU 104 12.617 -2.834 -0.348 746 HB3 LEU 104 HB1 LEU 104 12.208 -3.021 -2.044 747 HG LEU 104 HG LEU 104 9.902 -3.603 -1.446 748 HD11 LEU 104 HD11 LEU 104 10.768 -3.127 1.401 749 HD12 LEU 104 HD12 LEU 104 10.289 -4.674 0.702 750 HD13 LEU 104 HD13 LEU 104 9.109 -3.371 0.853 751 HD21 LEU 104 HD21 LEU 104 10.459 -1.272 -1.837 752 HD22 LEU 104 HD22 LEU 104 10.885 -1.074 -0.137 753 HD23 LEU 104 HD23 LEU 104 9.216 -1.415 -0.595 754 H ALA 105 HN ALA 105 14.763 -5.494 -0.309 755 HA ALA 105 HA ALA 105 16.089 -4.871 -2.769 756 HB1 ALA 105 HB1 ALA 105 18.103 -5.665 -1.651 757 HB2 ALA 105 HB2 ALA 105 17.127 -6.318 -0.334 758 HB3 ALA 105 HB3 ALA 105 17.193 -4.575 -0.602 759 H ASP 106 HN ASP 106 14.231 -7.427 -1.826 760 HA ASP 106 HA ASP 106 15.767 -9.594 -2.864 761 HB2 ASP 106 HB2 ASP 106 14.045 -9.944 -1.141 762 HB3 ASP 106 HB1 ASP 106 12.801 -9.457 -2.289 763 H GLY 107 HN GLY 107 13.441 -7.358 -4.230 764 HA2 GLY 107 HA2 GLY 107 14.137 -7.930 -6.868 765 HA3 GLY 107 HA1 GLY 107 12.735 -8.913 -6.476 766 H ASP 108 HN ASP 108 11.345 -7.915 -7.857 767 HA ASP 108 HA ASP 108 11.065 -5.027 -7.836 768 HB2 ASP 108 HB2 ASP 108 10.960 -6.471 -9.933 769 HB3 ASP 108 HB1 ASP 108 9.393 -7.028 -9.361 770 H TYR 109 HN TYR 109 9.826 -4.084 -6.378 771 HA TYR 109 HA TYR 109 7.552 -5.582 -5.290 772 HB2 TYR 109 HB2 TYR 109 9.391 -3.541 -4.112 773 HB3 TYR 109 HB1 TYR 109 7.761 -3.697 -3.467 774 HD1 TYR 109 HD1 TYR 109 10.615 -5.899 -4.449 775 HD2 TYR 109 HD2 TYR 109 7.470 -5.136 -1.689 776 HE1 TYR 109 HE1 TYR 109 11.373 -7.781 -3.070 777 HE2 TYR 109 HE2 TYR 109 8.219 -7.019 -0.306 778 HH TYR 109 HH TYR 109 9.541 -9.195 -0.714 779 H LYS 110 HN LYS 110 5.559 -4.548 -4.948 780 HA LYS 110 HA LYS 110 5.176 -1.963 -6.278 781 HB2 LYS 110 HB2 LYS 110 3.608 -4.493 -6.821 782 HB3 LYS 110 HB1 LYS 110 3.020 -2.890 -7.254 783 HG2 LYS 110 HG2 LYS 110 4.845 -2.557 -8.761 784 HG3 LYS 110 HG1 LYS 110 5.629 -4.044 -8.222 785 HD2 LYS 110 HD2 LYS 110 4.564 -4.469 -10.323 786 HD3 LYS 110 HD1 LYS 110 3.654 -5.306 -9.065 787 HE2 LYS 110 HE2 LYS 110 1.977 -3.560 -9.070 788 HE3 LYS 110 HE1 LYS 110 2.912 -2.627 -10.239 789 HZ1 LYS 110 HZ1 LYS 110 1.109 -3.852 -11.300 790 HZ2 LYS 110 HZ2 LYS 110 1.737 -5.310 -10.728 791 HZ3 LYS 110 HZ3 LYS 110 2.612 -4.399 -11.848 792 H PHE 111 HN PHE 111 3.171 -0.910 -5.667 793 HA PHE 111 HA PHE 111 2.054 -1.926 -3.142 794 HB2 PHE 111 HB2 PHE 111 1.847 0.292 -2.271 795 HB3 PHE 111 HB1 PHE 111 3.503 0.123 -2.827 796 HD1 PHE 111 HD2 PHE 111 4.276 1.329 -4.806 797 HD2 PHE 111 HD1 PHE 111 0.322 1.823 -3.310 798 HE1 PHE 111 HE2 PHE 111 4.026 3.378 -6.144 799 HE2 PHE 111 HE1 PHE 111 0.067 3.873 -4.647 800 HZ PHE 111 HZ PHE 111 1.918 4.655 -6.061 801 H ALA 112 HN ALA 112 -0.187 -1.520 -2.820 802 HA ALA 112 HA ALA 112 -1.766 -0.299 -4.867 803 HB1 ALA 112 HB1 ALA 112 -2.865 -2.277 -5.719 804 HB2 ALA 112 HB2 ALA 112 -1.885 -3.306 -4.675 805 HB3 ALA 112 HB3 ALA 112 -1.126 -2.407 -5.987 806 H CYS 113 HN CYS 113 -4.055 -0.530 -4.487 807 HA CYS 113 HA CYS 113 -4.747 -0.895 -1.671 808 HB2 CYS 113 HB2 CYS 113 -5.516 1.127 -2.974 809 HB3 CYS 113 HB1 CYS 113 -6.463 0.053 -3.990 810 H THR 114 HN THR 114 -5.627 -2.787 -0.992 811 HA THR 114 HA THR 114 -6.114 -4.806 -3.033 812 HB THR 114 HB THR 114 -6.212 -6.408 -1.133 813 HG1 THR 114 HG1 THR 114 -6.166 -5.720 0.884 814 HG21 THR 114 HG21 THR 114 -4.106 -6.000 -2.281 815 HG22 THR 114 HG22 THR 114 -3.825 -6.259 -0.560 816 HG23 THR 114 HG23 THR 114 -3.779 -4.627 -1.225 817 H PHE 115 HN PHE 115 -8.042 -2.553 -2.106 818 HA PHE 115 HA PHE 115 -10.360 -3.908 -1.162 819 HB2 PHE 115 HB2 PHE 115 -9.883 -1.400 -1.061 820 HB3 PHE 115 HB1 PHE 115 -10.293 -1.342 -2.769 821 HD1 PHE 115 HD2 PHE 115 -12.576 -1.669 -3.511 822 HD2 PHE 115 HD1 PHE 115 -11.586 -1.712 0.626 823 HE1 PHE 115 HE2 PHE 115 -14.956 -1.430 -2.944 824 HE2 PHE 115 HE1 PHE 115 -13.965 -1.473 1.201 825 HZ PHE 115 HZ PHE 115 -15.637 -1.271 -0.539 826 HA PRO 116 HA PRO 116 -11.356 -6.212 -4.824 827 HB2 PRO 116 HB2 PRO 116 -14.171 -5.778 -3.954 828 HB3 PRO 116 HB1 PRO 116 -13.327 -7.289 -4.329 829 HG2 PRO 116 HG2 PRO 116 -13.839 -6.607 -1.807 830 HG3 PRO 116 HG1 PRO 116 -12.312 -7.392 -2.253 831 HD2 PRO 116 HD2 PRO 116 -12.853 -4.522 -1.603 832 HD3 PRO 116 HD1 PRO 116 -11.437 -5.526 -1.215 833 H GLY 117 HN GLY 117 -11.192 -5.263 -6.732 834 HA2 GLY 117 HA2 GLY 117 -12.280 -4.256 -8.620 835 HA3 GLY 117 HA1 GLY 117 -13.215 -3.266 -7.501 836 H HIS 118 HN HIS 118 -10.861 -2.687 -5.854 837 HA HIS 118 HA HIS 118 -9.949 -0.392 -7.337 838 HB2 HIS 118 HB2 HIS 118 -9.393 -1.370 -4.531 839 HB3 HIS 118 HB1 HIS 118 -8.630 0.060 -5.207 840 HD2 HIS 118 HD2 HIS 118 -12.345 -0.334 -6.097 841 HE1 HIS 118 HE1 HIS 118 -12.046 2.483 -2.956 842 HE2 HIS 118 HE2 HIS 118 -13.630 1.276 -4.524 843 H GLY 119 HN GLY 119 -8.549 -3.369 -6.051 844 HA2 GLY 119 HA2 GLY 119 -5.853 -2.786 -6.402 845 HA3 GLY 119 HA1 GLY 119 -6.535 -4.404 -6.378 846 H ALA 120 HN ALA 120 -8.155 -3.397 -8.856 847 HA ALA 120 HA ALA 120 -6.322 -4.545 -10.741 848 HB1 ALA 120 HB1 ALA 120 -8.713 -5.046 -10.809 849 HB2 ALA 120 HB2 ALA 120 -8.151 -4.351 -12.328 850 HB3 ALA 120 HB3 ALA 120 -9.055 -3.357 -11.186 851 H LEU 121 HN LEU 121 -7.429 -1.323 -9.947 852 HA LEU 121 HA LEU 121 -5.820 -0.280 -12.185 853 HB2 LEU 121 HB2 LEU 121 -7.476 1.594 -12.325 854 HB3 LEU 121 HB1 LEU 121 -8.091 0.024 -12.810 855 HG LEU 121 HG LEU 121 -8.938 -0.055 -10.308 856 HD11 LEU 121 HD11 LEU 121 -8.835 2.906 -10.854 857 HD12 LEU 121 HD12 LEU 121 -7.895 2.049 -9.634 858 HD13 LEU 121 HD13 LEU 121 -9.652 2.124 -9.501 859 HD21 LEU 121 HD21 LEU 121 -11.074 0.836 -11.063 860 HD22 LEU 121 HD22 LEU 121 -10.338 -0.191 -12.294 861 HD23 LEU 121 HD23 LEU 121 -10.283 1.564 -12.460 862 H MET 122 HN MET 122 -6.139 -0.402 -8.901 863 HA MET 122 HA MET 122 -5.053 2.304 -8.484 864 HB2 MET 122 HB2 MET 122 -7.246 1.211 -7.356 865 HB3 MET 122 HB1 MET 122 -6.034 0.683 -6.202 866 HG2 MET 122 HG2 MET 122 -5.446 2.896 -5.655 867 HG3 MET 122 HG1 MET 122 -6.338 3.546 -7.032 868 HE1 MET 122 HE1 MET 122 -8.932 3.233 -7.308 869 HE2 MET 122 HE2 MET 122 -10.038 2.812 -6.004 870 HE3 MET 122 HE3 MET 122 -9.027 1.569 -6.733 871 H ASN 123 HN ASN 123 -3.003 1.406 -9.188 872 HA ASN 123 HA ASN 123 -1.556 0.097 -7.026 873 HB2 ASN 123 HB2 ASN 123 -0.513 -1.491 -8.683 874 HB3 ASN 123 HB1 ASN 123 -2.223 -1.786 -8.370 875 HD21 ASN 123 HD21 ASN 123 -2.577 -2.835 -10.293 876 HD22 ASN 123 HD22 ASN 123 -2.561 -2.028 -11.823 877 H GLY 124 HN GLY 124 0.831 0.069 -7.489 878 HA2 GLY 124 HA2 GLY 124 1.829 1.776 -9.574 879 HA3 GLY 124 HA1 GLY 124 1.903 2.527 -7.983 880 H LYS 125 HN LYS 125 4.246 2.422 -8.827 881 HA LYS 125 HA LYS 125 5.482 -0.168 -8.186 882 HB2 LYS 125 HB2 LYS 125 6.593 2.234 -9.655 883 HB3 LYS 125 HB1 LYS 125 7.471 0.743 -9.347 884 HG2 LYS 125 HG2 LYS 125 4.892 0.778 -10.876 885 HG3 LYS 125 HG1 LYS 125 6.451 1.054 -11.654 886 HD2 LYS 125 HD2 LYS 125 5.844 -1.374 -9.978 887 HD3 LYS 125 HD1 LYS 125 5.601 -1.320 -11.724 888 HE2 LYS 125 HE2 LYS 125 8.020 -0.673 -11.939 889 HE3 LYS 125 HE1 LYS 125 8.193 -1.006 -10.217 890 HZ1 LYS 125 HZ1 LYS 125 7.594 -3.289 -10.594 891 HZ2 LYS 125 HZ2 LYS 125 8.855 -2.877 -11.642 892 HZ3 LYS 125 HZ3 LYS 125 7.276 -2.984 -12.230 893 H VAL 126 HN VAL 126 6.712 -0.365 -6.389 894 HA VAL 126 HA VAL 126 7.525 2.122 -5.059 895 HB VAL 126 HB VAL 126 6.087 0.894 -3.580 896 HG11 VAL 126 HG11 VAL 126 7.905 -1.459 -4.031 897 HG12 VAL 126 HG12 VAL 126 6.211 -1.316 -4.501 898 HG13 VAL 126 HG13 VAL 126 6.651 -1.379 -2.796 899 HG21 VAL 126 HG21 VAL 126 7.971 2.004 -2.539 900 HG22 VAL 126 HG22 VAL 126 8.965 0.564 -2.757 901 HG23 VAL 126 HG23 VAL 126 7.578 0.522 -1.670 902 H THR 127 HN THR 127 9.565 2.599 -5.212 903 HA THR 127 HA THR 127 11.354 0.538 -6.300 904 HB THR 127 HB THR 127 11.629 3.543 -6.474 905 HG1 THR 127 HG1 THR 127 9.832 3.065 -7.660 906 HG21 THR 127 HG21 THR 127 12.957 1.311 -8.014 907 HG22 THR 127 HG22 THR 127 13.723 2.321 -6.789 908 HG23 THR 127 HG23 THR 127 13.180 3.036 -8.308 909 H LEU 128 HN LEU 128 13.126 -0.049 -5.206 910 HA LEU 128 HA LEU 128 13.744 1.277 -2.705 911 HB2 LEU 128 HB2 LEU 128 13.783 -1.235 -2.989 912 HB3 LEU 128 HB1 LEU 128 15.207 -1.028 -3.998 913 HG LEU 128 HG LEU 128 16.364 0.035 -2.062 914 HD11 LEU 128 HD11 LEU 128 14.513 0.832 -0.780 915 HD12 LEU 128 HD12 LEU 128 15.366 -0.372 0.182 916 HD13 LEU 128 HD13 LEU 128 13.856 -0.796 -0.621 917 HD21 LEU 128 HD21 LEU 128 15.304 -2.749 -1.624 918 HD22 LEU 128 HD22 LEU 128 16.701 -2.048 -0.809 919 HD23 LEU 128 HD23 LEU 128 16.735 -2.304 -2.554 920 H VAL 129 HN VAL 129 14.994 2.982 -2.685 921 HA VAL 129 HA VAL 129 16.942 3.321 -4.867 922 HB VAL 129 HB VAL 129 16.660 5.750 -4.621 923 HG11 VAL 129 HG11 VAL 129 15.312 4.553 -6.269 924 HG12 VAL 129 HG12 VAL 129 14.434 5.932 -5.610 925 HG13 VAL 129 HG13 VAL 129 14.053 4.300 -5.061 926 HG21 VAL 129 HG21 VAL 129 14.452 5.059 -2.685 927 HG22 VAL 129 HG22 VAL 129 14.855 6.674 -3.270 928 HG23 VAL 129 HG23 VAL 129 16.000 5.790 -2.263 929 H ASP 130 HN ASP 130 18.668 4.988 -4.199 930 HA ASP 130 HA ASP 130 20.218 3.871 -2.169 931 HB2 ASP 130 HB2 ASP 130 20.410 6.618 -3.419 932 HB3 ASP 130 HB1 ASP 130 21.656 5.890 -2.410 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 13.881 15.333 -2.969 2 H2 ALA 1 HT2 ALA 1 15.534 15.585 -3.213 3 H3 ALA 1 HT3 ALA 1 14.750 16.320 -1.909 4 HA ALA 1 HA ALA 1 16.058 14.442 -1.184 5 HB1 ALA 1 HB1 ALA 1 13.097 13.916 -0.993 6 HB2 ALA 1 HB2 ALA 1 13.990 15.060 0.009 7 HB3 ALA 1 HB3 ALA 1 14.344 13.334 0.111 8 H THR 2 HN THR 2 17.156 13.062 -2.491 9 HA THR 2 HA THR 2 15.635 11.240 -4.205 10 HB THR 2 HB THR 2 17.919 10.640 -5.109 11 HG1 THR 2 HG1 THR 2 19.613 11.468 -4.155 12 HG21 THR 2 HG21 THR 2 18.150 12.745 -6.387 13 HG22 THR 2 HG22 THR 2 17.030 13.523 -5.269 14 HG23 THR 2 HG23 THR 2 16.477 12.197 -6.290 15 H ALA 3 HN ALA 3 18.481 10.964 -2.056 16 HA ALA 3 HA ALA 3 17.658 8.191 -1.490 17 HB1 ALA 3 HB1 ALA 3 19.969 7.801 -0.806 18 HB2 ALA 3 HB2 ALA 3 20.353 9.497 -1.100 19 HB3 ALA 3 HB3 ALA 3 19.900 8.449 -2.445 20 H GLY 4 HN GLY 4 16.917 10.951 -0.244 21 HA2 GLY 4 HA2 GLY 4 17.429 10.163 2.554 22 HA3 GLY 4 HA1 GLY 4 17.215 11.824 2.022 23 H ASN 5 HN ASN 5 15.287 9.054 1.012 24 HA ASN 5 HA ASN 5 12.927 10.391 2.141 25 HB2 ASN 5 HB2 ASN 5 13.134 8.184 0.073 26 HB3 ASN 5 HB1 ASN 5 11.620 8.821 0.701 27 HD21 ASN 5 HD21 ASN 5 14.348 9.426 -1.353 28 HD22 ASN 5 HD22 ASN 5 13.703 10.836 -2.126 29 H CYS 6 HN CYS 6 12.553 9.755 4.163 30 HA CYS 6 HA CYS 6 12.796 6.889 4.789 31 HB2 CYS 6 HB2 CYS 6 12.707 9.248 6.681 32 HB3 CYS 6 HB1 CYS 6 12.927 7.563 7.143 33 H ALA 7 HN ALA 7 10.602 9.283 4.087 34 HA ALA 7 HA ALA 7 8.380 7.658 4.958 35 HB1 ALA 7 HB1 ALA 7 8.819 9.037 6.937 36 HB2 ALA 7 HB2 ALA 7 7.277 9.452 6.190 37 HB3 ALA 7 HB3 ALA 7 8.681 10.492 5.953 38 H ALA 8 HN ALA 8 6.411 8.252 3.951 39 HA ALA 8 HA ALA 8 6.471 10.407 1.997 40 HB1 ALA 8 HB1 ALA 8 5.926 7.550 1.194 41 HB2 ALA 8 HB2 ALA 8 7.353 8.490 0.758 42 HB3 ALA 8 HB3 ALA 8 5.765 8.966 0.156 43 H THR 9 HN THR 9 4.460 11.220 1.550 44 HA THR 9 HA THR 9 2.241 10.005 3.043 45 HB THR 9 HB THR 9 2.453 12.869 2.100 46 HG1 THR 9 HG1 THR 9 3.786 11.726 4.064 47 HG21 THR 9 HG21 THR 9 0.616 13.243 3.687 48 HG22 THR 9 HG22 THR 9 0.590 11.520 4.061 49 HG23 THR 9 HG23 THR 9 0.164 12.078 2.444 50 H VAL 10 HN VAL 10 0.856 8.950 1.820 51 HA VAL 10 HA VAL 10 0.527 9.782 -0.983 52 HB VAL 10 HB VAL 10 -0.077 7.094 0.269 53 HG11 VAL 10 HG11 VAL 10 -1.568 7.628 -1.594 54 HG12 VAL 10 HG12 VAL 10 -0.452 6.334 -2.025 55 HG13 VAL 10 HG13 VAL 10 -0.174 7.971 -2.618 56 HG21 VAL 10 HG21 VAL 10 2.147 7.904 -1.604 57 HG22 VAL 10 HG22 VAL 10 1.825 6.271 -1.022 58 HG23 VAL 10 HG23 VAL 10 2.327 7.527 0.110 59 H GLU 11 HN GLU 11 -1.308 10.715 -1.479 60 HA GLU 11 HA GLU 11 -3.535 10.622 0.395 61 HB2 GLU 11 HB2 GLU 11 -3.277 12.280 -2.119 62 HB3 GLU 11 HB1 GLU 11 -4.422 12.510 -0.807 63 HG2 GLU 11 HG2 GLU 11 -2.669 13.175 0.690 64 HG3 GLU 11 HG1 GLU 11 -1.439 12.793 -0.516 65 H SER 12 HN SER 12 -5.526 9.797 -0.115 66 HA SER 12 HA SER 12 -5.905 8.744 -2.826 67 HB2 SER 12 HB2 SER 12 -7.107 6.779 -1.769 68 HB3 SER 12 HB1 SER 12 -5.367 6.806 -1.495 69 HG SER 12 HG SER 12 -5.955 6.600 0.515 70 H ASN 13 HN ASN 13 -7.959 9.064 -3.657 71 HA ASN 13 HA ASN 13 -9.806 10.518 -1.882 72 HB2 ASN 13 HB2 ASN 13 -10.355 12.001 -3.819 73 HB3 ASN 13 HB1 ASN 13 -8.705 12.177 -3.244 74 HD21 ASN 13 HD21 ASN 13 -8.133 13.086 -5.232 75 HD22 ASN 13 HD22 ASN 13 -7.887 12.108 -6.639 76 H ASP 14 HN ASP 14 -11.959 10.885 -3.394 77 HA ASP 14 HA ASP 14 -12.937 8.176 -3.691 78 HB2 ASP 14 HB2 ASP 14 -14.410 10.796 -4.046 79 HB3 ASP 14 HB1 ASP 14 -15.146 9.204 -3.958 80 H ASN 15 HN ASN 15 -11.264 10.102 -5.664 81 HA ASN 15 HA ASN 15 -12.816 9.692 -8.088 82 HB2 ASN 15 HB2 ASN 15 -10.133 11.000 -7.609 83 HB3 ASN 15 HB1 ASN 15 -10.869 10.839 -9.200 84 HD21 ASN 15 HD21 ASN 15 -10.152 13.221 -7.625 85 HD22 ASN 15 HD22 ASN 15 -11.610 14.144 -7.494 86 H MET 16 HN MET 16 -11.031 7.775 -6.249 87 HA MET 16 HA MET 16 -10.200 5.689 -6.533 88 HB2 MET 16 HB2 MET 16 -11.144 6.060 -9.384 89 HB3 MET 16 HB1 MET 16 -10.583 4.538 -8.708 90 HG2 MET 16 HG2 MET 16 -12.427 4.439 -7.204 91 HG3 MET 16 HG1 MET 16 -12.918 6.083 -7.611 92 HE1 MET 16 HE1 MET 16 -13.177 2.552 -10.576 93 HE2 MET 16 HE2 MET 16 -12.498 2.421 -8.953 94 HE3 MET 16 HE3 MET 16 -11.664 3.369 -10.184 95 H GLN 17 HN GLN 17 -8.288 7.447 -6.340 96 HA GLN 17 HA GLN 17 -6.199 6.409 -8.025 97 HB2 GLN 17 HB2 GLN 17 -5.516 8.424 -9.065 98 HB3 GLN 17 HB1 GLN 17 -7.251 8.341 -9.316 99 HG2 GLN 17 HG2 GLN 17 -7.635 9.938 -7.567 100 HG3 GLN 17 HG1 GLN 17 -5.919 9.952 -7.158 101 HE21 GLN 17 HE21 GLN 17 -5.661 12.129 -7.552 102 HE22 GLN 17 HE22 GLN 17 -5.712 12.800 -9.145 103 H PHE 18 HN PHE 18 -4.053 7.496 -7.424 104 HA PHE 18 HA PHE 18 -4.063 8.125 -4.548 105 HB2 PHE 18 HB2 PHE 18 -1.982 6.689 -6.203 106 HB3 PHE 18 HB1 PHE 18 -1.675 7.288 -4.579 107 HD1 PHE 18 HD2 PHE 18 -3.571 6.508 -2.831 108 HD2 PHE 18 HD1 PHE 18 -2.474 4.467 -6.404 109 HE1 PHE 18 HE2 PHE 18 -4.384 4.396 -1.871 110 HE2 PHE 18 HE1 PHE 18 -3.286 2.351 -5.450 111 HZ PHE 18 HZ PHE 18 -4.237 2.316 -3.180 112 H ASN 19 HN ASN 19 -2.064 9.357 -3.880 113 HA ASN 19 HA ASN 19 -1.756 11.777 -5.302 114 HB2 ASN 19 HB2 ASN 19 -1.369 11.684 -2.908 115 HB3 ASN 19 HB1 ASN 19 -0.065 10.520 -3.126 116 HD21 ASN 19 HD21 ASN 19 -1.003 13.850 -3.325 117 HD22 ASN 19 HD22 ASN 19 0.591 14.481 -3.548 118 H THR 20 HN THR 20 -0.008 8.758 -5.328 119 HA THR 20 HA THR 20 1.571 9.659 -7.589 120 HB THR 20 HB THR 20 2.979 10.243 -5.663 121 HG1 THR 20 HG1 THR 20 4.742 8.595 -6.236 122 HG21 THR 20 HG21 THR 20 2.795 7.315 -4.948 123 HG22 THR 20 HG22 THR 20 2.096 8.652 -4.036 124 HG23 THR 20 HG23 THR 20 3.847 8.498 -4.172 125 H LYS 21 HN LYS 21 2.646 7.865 -8.673 126 HA LYS 21 HA LYS 21 1.411 5.264 -8.047 127 HB2 LYS 21 HB2 LYS 21 0.646 6.428 -10.176 128 HB3 LYS 21 HB1 LYS 21 2.274 6.180 -10.794 129 HG2 LYS 21 HG2 LYS 21 2.006 3.774 -10.612 130 HG3 LYS 21 HG1 LYS 21 0.406 3.987 -9.903 131 HD2 LYS 21 HD2 LYS 21 1.186 4.947 -12.654 132 HD3 LYS 21 HD1 LYS 21 0.384 3.410 -12.332 133 HE2 LYS 21 HE2 LYS 21 -1.508 4.603 -11.346 134 HE3 LYS 21 HE1 LYS 21 -0.701 6.141 -11.647 135 HZ1 LYS 21 HZ1 LYS 21 -1.518 4.209 -13.748 136 HZ2 LYS 21 HZ2 LYS 21 -0.815 5.724 -14.004 137 HZ3 LYS 21 HZ3 LYS 21 -2.364 5.613 -13.336 138 H ASP 22 HN ASP 22 4.097 6.878 -7.658 139 HA ASP 22 HA ASP 22 5.770 4.476 -7.843 140 HB2 ASP 22 HB2 ASP 22 6.474 7.216 -8.888 141 HB3 ASP 22 HB1 ASP 22 7.723 6.082 -8.386 142 H ILE 23 HN ILE 23 6.949 4.121 -6.037 143 HA ILE 23 HA ILE 23 7.318 6.364 -4.165 144 HB ILE 23 HB ILE 23 6.477 3.543 -3.485 145 HG12 ILE 23 HG12 ILE 23 5.276 6.235 -2.775 146 HG13 ILE 23 HG11 ILE 23 4.687 5.176 -4.053 147 HG21 ILE 23 HG21 ILE 23 8.301 4.246 -1.996 148 HG22 ILE 23 HG22 ILE 23 6.768 4.094 -1.139 149 HG23 ILE 23 HG23 ILE 23 7.385 5.691 -1.569 150 HD11 ILE 23 HD11 ILE 23 3.304 4.962 -2.097 151 HD12 ILE 23 HD12 ILE 23 4.711 4.594 -1.102 152 HD13 ILE 23 HD13 ILE 23 4.195 3.462 -2.351 153 H GLN 24 HN GLN 24 9.335 6.637 -3.476 154 HA GLN 24 HA GLN 24 11.320 4.624 -4.287 155 HB2 GLN 24 HB2 GLN 24 11.578 7.604 -3.873 156 HB3 GLN 24 HB1 GLN 24 12.944 6.531 -4.164 157 HG2 GLN 24 HG2 GLN 24 12.162 5.985 -6.337 158 HG3 GLN 24 HG1 GLN 24 10.617 6.785 -6.049 159 HE21 GLN 24 HE21 GLN 24 13.613 8.167 -4.969 160 HE22 GLN 24 HE22 GLN 24 13.659 9.462 -6.110 161 H VAL 25 HN VAL 25 12.038 3.417 -2.692 162 HA VAL 25 HA VAL 25 12.010 4.493 0.040 163 HB VAL 25 HB VAL 25 12.369 1.639 -0.899 164 HG11 VAL 25 HG11 VAL 25 13.507 2.076 1.223 165 HG12 VAL 25 HG12 VAL 25 12.103 1.032 1.452 166 HG13 VAL 25 HG13 VAL 25 12.015 2.739 1.888 167 HG21 VAL 25 HG21 VAL 25 10.117 2.484 -1.306 168 HG22 VAL 25 HG22 VAL 25 9.998 2.994 0.378 169 HG23 VAL 25 HG23 VAL 25 10.117 1.280 -0.017 170 H SER 26 HN SER 26 13.830 5.262 0.833 171 HA SER 26 HA SER 26 16.339 4.777 -0.498 172 HB2 SER 26 HB2 SER 26 15.735 6.375 2.004 173 HB3 SER 26 HB1 SER 26 17.226 6.444 1.060 174 HG SER 26 HG SER 26 15.009 6.833 -0.474 175 H LYS 27 HN LYS 27 17.719 3.238 -0.020 176 HA LYS 27 HA LYS 27 17.148 1.254 1.887 177 HB2 LYS 27 HB2 LYS 27 19.305 0.279 1.252 178 HB3 LYS 27 HB1 LYS 27 18.382 0.781 -0.156 179 HG2 LYS 27 HG2 LYS 27 19.749 2.719 -0.448 180 HG3 LYS 27 HG1 LYS 27 20.580 2.421 1.078 181 HD2 LYS 27 HD2 LYS 27 21.944 1.733 -0.828 182 HD3 LYS 27 HD1 LYS 27 21.505 0.351 0.176 183 HE2 LYS 27 HE2 LYS 27 19.759 -0.265 -1.386 184 HE3 LYS 27 HE1 LYS 27 20.094 1.165 -2.360 185 HZ1 LYS 27 HZ1 LYS 27 21.107 -0.803 -3.306 186 HZ2 LYS 27 HZ2 LYS 27 21.975 -1.079 -1.878 187 HZ3 LYS 27 HZ3 LYS 27 22.300 0.296 -2.812 188 H ALA 28 HN ALA 28 18.981 4.162 2.150 189 HA ALA 28 HA ALA 28 20.586 3.304 4.372 190 HB1 ALA 28 HB1 ALA 28 21.367 5.610 4.440 191 HB2 ALA 28 HB2 ALA 28 20.117 6.074 3.286 192 HB3 ALA 28 HB3 ALA 28 21.408 4.980 2.794 193 H CYS 29 HN CYS 29 17.434 3.717 4.255 194 HA CYS 29 HA CYS 29 17.199 5.238 6.743 195 HB2 CYS 29 HB2 CYS 29 15.100 4.317 4.770 196 HB3 CYS 29 HB1 CYS 29 14.761 5.227 6.240 197 H LYS 30 HN LYS 30 16.419 4.357 8.591 198 HA LYS 30 HA LYS 30 16.703 1.584 9.022 199 HB2 LYS 30 HB2 LYS 30 15.297 3.675 10.697 200 HB3 LYS 30 HB1 LYS 30 15.751 2.069 11.252 201 HG2 LYS 30 HG2 LYS 30 18.028 2.570 11.222 202 HG3 LYS 30 HG1 LYS 30 17.798 3.976 10.180 203 HD2 LYS 30 HD2 LYS 30 18.278 4.651 12.472 204 HD3 LYS 30 HD1 LYS 30 16.651 5.136 11.997 205 HE2 LYS 30 HE2 LYS 30 15.762 3.140 13.152 206 HE3 LYS 30 HE1 LYS 30 17.396 2.757 13.691 207 HZ1 LYS 30 HZ1 LYS 30 15.876 5.216 14.357 208 HZ2 LYS 30 HZ2 LYS 30 17.455 4.879 14.857 209 HZ3 LYS 30 HZ3 LYS 30 16.176 3.920 15.402 210 H GLU 31 HN GLU 31 13.833 3.655 8.862 211 HA GLU 31 HA GLU 31 12.293 1.379 7.863 212 HB2 GLU 31 HB2 GLU 31 11.467 3.175 10.150 213 HB3 GLU 31 HB1 GLU 31 10.328 2.192 9.246 214 HG2 GLU 31 HG2 GLU 31 11.543 0.178 9.926 215 HG3 GLU 31 HG1 GLU 31 12.654 1.178 10.861 216 H PHE 32 HN PHE 32 10.641 1.946 6.447 217 HA PHE 32 HA PHE 32 10.626 4.781 5.651 218 HB2 PHE 32 HB2 PHE 32 11.288 2.967 3.964 219 HB3 PHE 32 HB1 PHE 32 9.595 2.477 3.996 220 HD1 PHE 32 HD2 PHE 32 11.855 5.299 3.259 221 HD2 PHE 32 HD1 PHE 32 7.987 3.627 2.728 222 HE1 PHE 32 HE2 PHE 32 11.350 7.017 1.579 223 HE2 PHE 32 HE1 PHE 32 7.472 5.346 1.044 224 HZ PHE 32 HZ PHE 32 9.157 7.044 0.469 225 H THR 33 HN THR 33 8.928 5.888 6.303 226 HA THR 33 HA THR 33 6.567 4.420 7.225 227 HB THR 33 HB THR 33 7.270 7.320 7.705 228 HG1 THR 33 HG1 THR 33 8.820 6.250 8.811 229 HG21 THR 33 HG21 THR 33 4.888 6.744 7.972 230 HG22 THR 33 HG22 THR 33 5.639 7.171 9.510 231 HG23 THR 33 HG23 THR 33 5.334 5.478 9.117 232 H ILE 34 HN ILE 34 5.058 4.185 5.730 233 HA ILE 34 HA ILE 34 4.532 6.382 3.860 234 HB ILE 34 HB ILE 34 3.521 3.532 3.813 235 HG12 ILE 34 HG12 ILE 34 5.557 4.937 2.070 236 HG13 ILE 34 HG11 ILE 34 5.928 3.752 3.316 237 HG21 ILE 34 HG21 ILE 34 2.659 4.085 1.580 238 HG22 ILE 34 HG22 ILE 34 3.156 5.761 1.811 239 HG23 ILE 34 HG23 ILE 34 1.904 5.064 2.838 240 HD11 ILE 34 HD11 ILE 34 6.018 2.769 1.095 241 HD12 ILE 34 HD12 ILE 34 4.339 3.230 0.813 242 HD13 ILE 34 HD13 ILE 34 4.730 2.044 2.057 243 H THR 35 HN THR 35 2.934 7.724 4.318 244 HA THR 35 HA THR 35 0.798 6.799 6.115 245 HB THR 35 HB THR 35 1.787 9.598 5.548 246 HG1 THR 35 HG1 THR 35 1.808 7.957 7.894 247 HG21 THR 35 HG21 THR 35 -0.485 8.698 7.326 248 HG22 THR 35 HG22 THR 35 -0.647 9.602 5.821 249 HG23 THR 35 HG23 THR 35 0.143 10.342 7.213 250 H LEU 36 HN LEU 36 -1.108 6.439 5.240 251 HA LEU 36 HA LEU 36 -1.732 7.616 2.628 252 HB2 LEU 36 HB2 LEU 36 -1.882 5.145 2.906 253 HB3 LEU 36 HB1 LEU 36 -3.118 5.387 4.121 254 HG LEU 36 HG LEU 36 -4.496 6.541 2.334 255 HD11 LEU 36 HD11 LEU 36 -3.942 5.972 0.007 256 HD12 LEU 36 HD12 LEU 36 -2.397 5.318 0.550 257 HD13 LEU 36 HD13 LEU 36 -2.747 7.035 0.745 258 HD21 LEU 36 HD21 LEU 36 -5.234 4.421 1.336 259 HD22 LEU 36 HD22 LEU 36 -4.994 4.287 3.076 260 HD23 LEU 36 HD23 LEU 36 -3.791 3.631 1.968 261 H LYS 37 HN LYS 37 -3.143 9.228 2.498 262 HA LYS 37 HA LYS 37 -5.028 9.602 4.736 263 HB2 LYS 37 HB2 LYS 37 -3.777 11.775 3.034 264 HB3 LYS 37 HB1 LYS 37 -4.949 12.024 4.323 265 HG2 LYS 37 HG2 LYS 37 -3.284 11.001 5.899 266 HG3 LYS 37 HG1 LYS 37 -2.114 11.047 4.580 267 HD2 LYS 37 HD2 LYS 37 -2.379 13.468 4.418 268 HD3 LYS 37 HD1 LYS 37 -3.575 13.429 5.714 269 HE2 LYS 37 HE2 LYS 37 -1.835 12.491 7.218 270 HE3 LYS 37 HE1 LYS 37 -0.657 12.690 5.922 271 HZ1 LYS 37 HZ1 LYS 37 -2.221 14.880 7.180 272 HZ2 LYS 37 HZ2 LYS 37 -1.073 15.067 5.955 273 HZ3 LYS 37 HZ3 LYS 37 -0.593 14.534 7.486 274 H HIS 38 HN HIS 38 -6.972 9.010 4.068 275 HA HIS 38 HA HIS 38 -7.670 9.176 1.257 276 HB2 HIS 38 HB2 HIS 38 -8.282 7.172 2.574 277 HB3 HIS 38 HB1 HIS 38 -9.306 8.169 3.600 278 HD1 HIS 38 HD1 HIS 38 -9.682 9.240 0.152 279 HD2 HIS 38 HD2 HIS 38 -11.252 6.211 2.529 280 HE1 HIS 38 HE1 HIS 38 -11.816 8.527 -0.974 281 HE2 HIS 38 HE2 HIS 38 -12.615 6.541 0.366 282 H THR 39 HN THR 39 -7.819 11.312 0.827 283 HA THR 39 HA THR 39 -9.482 13.085 2.373 284 HB THR 39 HB THR 39 -8.239 13.625 -0.327 285 HG1 THR 39 HG1 THR 39 -7.113 13.531 2.267 286 HG21 THR 39 HG21 THR 39 -9.864 15.286 0.464 287 HG22 THR 39 HG22 THR 39 -8.229 15.947 0.459 288 HG23 THR 39 HG23 THR 39 -8.971 15.441 1.977 289 H GLY 40 HN GLY 40 -11.392 11.761 2.118 290 HA2 GLY 40 HA2 GLY 40 -12.983 12.720 -0.121 291 HA3 GLY 40 HA1 GLY 40 -12.855 10.968 0.055 292 H THR 41 HN THR 41 -15.313 11.543 0.256 293 HA THR 41 HA THR 41 -15.858 11.791 3.146 294 HB THR 41 HB THR 41 -18.141 12.698 2.416 295 HG1 THR 41 HG1 THR 41 -18.386 12.804 0.324 296 HG21 THR 41 HG21 THR 41 -15.660 14.364 1.979 297 HG22 THR 41 HG22 THR 41 -16.470 14.084 3.519 298 HG23 THR 41 HG23 THR 41 -17.282 15.000 2.249 299 H GLN 42 HN GLN 42 -15.575 9.537 1.028 300 HA GLN 42 HA GLN 42 -18.181 8.267 1.317 301 HB2 GLN 42 HB2 GLN 42 -15.735 7.652 -0.310 302 HB3 GLN 42 HB1 GLN 42 -16.993 6.445 -0.080 303 HG2 GLN 42 HG2 GLN 42 -17.448 9.187 -1.236 304 HG3 GLN 42 HG1 GLN 42 -17.215 7.719 -2.185 305 HE21 GLN 42 HE21 GLN 42 -18.842 6.204 -2.276 306 HE22 GLN 42 HE22 GLN 42 -20.449 6.523 -1.726 307 HA PRO 43 HA PRO 43 -16.883 5.886 4.814 308 HB2 PRO 43 HB2 PRO 43 -18.862 4.031 4.753 309 HB3 PRO 43 HB1 PRO 43 -19.124 5.690 5.303 310 HG2 PRO 43 HG2 PRO 43 -19.722 4.459 2.639 311 HG3 PRO 43 HG1 PRO 43 -20.718 5.560 3.615 312 HD2 PRO 43 HD2 PRO 43 -19.238 6.402 1.501 313 HD3 PRO 43 HD1 PRO 43 -19.545 7.429 2.920 314 H LYS 44 HN LYS 44 -16.046 3.792 5.313 315 HA LYS 44 HA LYS 44 -14.416 2.884 3.189 316 HB2 LYS 44 HB2 LYS 44 -13.476 1.304 4.814 317 HB3 LYS 44 HB1 LYS 44 -13.564 2.935 5.452 318 HG2 LYS 44 HG2 LYS 44 -15.580 2.309 6.716 319 HG3 LYS 44 HG1 LYS 44 -15.429 0.662 6.099 320 HD2 LYS 44 HD2 LYS 44 -13.274 0.420 7.168 321 HD3 LYS 44 HD1 LYS 44 -13.314 2.100 7.700 322 HE2 LYS 44 HE2 LYS 44 -13.899 0.707 9.553 323 HE3 LYS 44 HE1 LYS 44 -15.343 1.566 9.027 324 HZ1 LYS 44 HZ1 LYS 44 -15.764 -0.775 9.515 325 HZ2 LYS 44 HZ2 LYS 44 -14.676 -1.234 8.306 326 HZ3 LYS 44 HZ3 LYS 44 -16.092 -0.406 7.899 327 H ALA 45 HN ALA 45 -17.499 1.852 4.224 328 HA ALA 45 HA ALA 45 -17.302 -0.797 3.114 329 HB1 ALA 45 HB1 ALA 45 -19.750 0.794 3.871 330 HB2 ALA 45 HB2 ALA 45 -18.867 -0.303 4.933 331 HB3 ALA 45 HB3 ALA 45 -19.701 -0.932 3.512 332 H SER 46 HN SER 46 -17.622 2.291 1.811 333 HA SER 46 HA SER 46 -18.895 1.240 -0.626 334 HB2 SER 46 HB2 SER 46 -20.181 3.052 0.397 335 HB3 SER 46 HB1 SER 46 -18.757 4.091 0.393 336 HG SER 46 HG SER 46 -20.422 3.326 -1.707 337 H MET 47 HN MET 47 -16.517 3.698 0.399 338 HA MET 47 HA MET 47 -14.831 2.888 -1.868 339 HB2 MET 47 HB2 MET 47 -16.106 4.975 -2.430 340 HB3 MET 47 HB1 MET 47 -15.341 5.760 -1.060 341 HG2 MET 47 HG2 MET 47 -14.143 6.439 -2.970 342 HG3 MET 47 HG1 MET 47 -13.123 5.273 -2.129 343 HE1 MET 47 HE1 MET 47 -15.357 4.537 -6.088 344 HE2 MET 47 HE2 MET 47 -15.318 6.060 -5.201 345 HE3 MET 47 HE3 MET 47 -16.242 4.696 -4.572 346 H GLY 48 HN GLY 48 -13.930 1.710 0.012 347 HA2 GLY 48 HA2 GLY 48 -12.312 3.383 1.793 348 HA3 GLY 48 HA1 GLY 48 -12.587 1.650 1.967 349 H HIS 49 HN HIS 49 -10.045 3.066 1.993 350 HA HIS 49 HA HIS 49 -8.801 1.653 -0.266 351 HB2 HIS 49 HB2 HIS 49 -8.075 4.462 0.612 352 HB3 HIS 49 HB1 HIS 49 -7.191 3.513 -0.576 353 HD2 HIS 49 HD2 HIS 49 -9.464 6.318 -0.617 354 HE1 HIS 49 HE1 HIS 49 -10.521 4.109 -4.061 355 HE2 HIS 49 HE2 HIS 49 -10.469 6.407 -3.007 356 H ASN 50 HN ASN 50 -6.707 0.908 0.094 357 HA ASN 50 HA ASN 50 -5.371 1.667 2.567 358 HB2 ASN 50 HB2 ASN 50 -4.723 -0.634 3.118 359 HB3 ASN 50 HB1 ASN 50 -6.469 -0.460 3.159 360 HD21 ASN 50 HD21 ASN 50 -6.599 -2.732 2.993 361 HD22 ASN 50 HD22 ASN 50 -6.393 -3.529 1.469 362 H LEU 51 HN LEU 51 -3.045 0.675 2.479 363 HA LEU 51 HA LEU 51 -2.137 0.478 -0.298 364 HB2 LEU 51 HB2 LEU 51 -1.780 2.800 0.577 365 HB3 LEU 51 HB1 LEU 51 -0.736 2.123 1.815 366 HG LEU 51 HG LEU 51 -0.089 1.567 -1.048 367 HD11 LEU 51 HD11 LEU 51 -0.544 3.963 -1.014 368 HD12 LEU 51 HD12 LEU 51 1.184 3.653 -1.185 369 HD13 LEU 51 HD13 LEU 51 0.528 4.157 0.371 370 HD21 LEU 51 HD21 LEU 51 1.594 2.106 1.402 371 HD22 LEU 51 HD22 LEU 51 2.197 1.639 -0.186 372 HD23 LEU 51 HD23 LEU 51 1.209 0.515 0.746 373 H VAL 52 HN VAL 52 -1.273 -1.444 -0.497 374 HA VAL 52 HA VAL 52 0.193 -2.586 1.783 375 HB VAL 52 HB VAL 52 -0.235 -4.790 0.855 376 HG11 VAL 52 HG11 VAL 52 -2.666 -4.888 1.123 377 HG12 VAL 52 HG12 VAL 52 -2.753 -3.134 0.967 378 HG13 VAL 52 HG13 VAL 52 -1.921 -3.857 2.342 379 HG21 VAL 52 HG21 VAL 52 -1.723 -3.370 -1.352 380 HG22 VAL 52 HG22 VAL 52 -1.635 -5.116 -1.116 381 HG23 VAL 52 HG23 VAL 52 -0.179 -4.207 -1.516 382 H ILE 53 HN ILE 53 2.178 -3.582 1.436 383 HA ILE 53 HA ILE 53 3.501 -2.900 -1.114 384 HB ILE 53 HB ILE 53 4.710 -3.146 1.652 385 HG12 ILE 53 HG12 ILE 53 3.422 -1.040 1.193 386 HG13 ILE 53 HG11 ILE 53 5.129 -0.775 1.538 387 HG21 ILE 53 HG21 ILE 53 6.045 -2.509 -0.978 388 HG22 ILE 53 HG22 ILE 53 6.242 -3.989 -0.039 389 HG23 ILE 53 HG23 ILE 53 6.819 -2.451 0.606 390 HD11 ILE 53 HD11 ILE 53 5.563 -0.513 -0.849 391 HD12 ILE 53 HD12 ILE 53 4.360 0.642 -0.275 392 HD13 ILE 53 HD13 ILE 53 3.853 -0.779 -1.186 393 H ALA 54 HN ALA 54 3.859 -4.665 -2.320 394 HA ALA 54 HA ALA 54 4.934 -7.056 -1.057 395 HB1 ALA 54 HB1 ALA 54 3.308 -8.557 -2.047 396 HB2 ALA 54 HB2 ALA 54 2.454 -7.195 -2.771 397 HB3 ALA 54 HB3 ALA 54 2.485 -7.383 -1.019 398 H LYS 55 HN LYS 55 5.429 -8.732 -2.844 399 HA LYS 55 HA LYS 55 7.033 -7.398 -4.808 400 HB2 LYS 55 HB2 LYS 55 6.485 -10.335 -4.342 401 HB3 LYS 55 HB1 LYS 55 7.610 -9.722 -5.545 402 HG2 LYS 55 HG2 LYS 55 8.976 -8.729 -3.814 403 HG3 LYS 55 HG1 LYS 55 7.821 -9.238 -2.581 404 HD2 LYS 55 HD2 LYS 55 9.775 -10.733 -2.697 405 HD3 LYS 55 HD1 LYS 55 8.269 -11.574 -3.087 406 HE2 LYS 55 HE2 LYS 55 8.762 -11.373 -5.468 407 HE3 LYS 55 HE1 LYS 55 10.245 -10.500 -5.103 408 HZ1 LYS 55 HZ1 LYS 55 10.697 -12.810 -5.579 409 HZ2 LYS 55 HZ2 LYS 55 9.648 -13.309 -4.353 410 HZ3 LYS 55 HZ3 LYS 55 11.067 -12.478 -3.964 411 H ALA 56 HN ALA 56 6.882 -7.628 -7.093 412 HA ALA 56 HA ALA 56 4.372 -7.095 -8.132 413 HB1 ALA 56 HB1 ALA 56 6.497 -6.517 -9.225 414 HB2 ALA 56 HB2 ALA 56 5.370 -7.313 -10.323 415 HB3 ALA 56 HB3 ALA 56 6.726 -8.214 -9.644 416 H GLU 57 HN GLU 57 6.180 -10.140 -8.310 417 HA GLU 57 HA GLU 57 4.210 -11.525 -9.811 418 HB2 GLU 57 HB2 GLU 57 6.565 -12.147 -9.863 419 HB3 GLU 57 HB1 GLU 57 6.522 -12.536 -8.151 420 HG2 GLU 57 HG2 GLU 57 4.875 -14.318 -8.654 421 HG3 GLU 57 HG1 GLU 57 5.093 -13.977 -10.370 422 H ASP 58 HN ASP 58 4.651 -10.981 -6.416 423 HA ASP 58 HA ASP 58 2.880 -13.208 -5.729 424 HB2 ASP 58 HB2 ASP 58 4.569 -11.405 -3.986 425 HB3 ASP 58 HB1 ASP 58 3.535 -12.690 -3.379 426 H MET 59 HN MET 59 2.534 -10.117 -6.621 427 HA MET 59 HA MET 59 0.892 -8.992 -4.616 428 HB2 MET 59 HB2 MET 59 2.108 -7.909 -6.685 429 HB3 MET 59 HB1 MET 59 0.578 -8.245 -7.494 430 HG2 MET 59 HG2 MET 59 0.512 -6.014 -6.689 431 HG3 MET 59 HG1 MET 59 -0.575 -6.984 -5.692 432 HE1 MET 59 HE1 MET 59 0.942 -4.302 -3.215 433 HE2 MET 59 HE2 MET 59 -0.555 -4.993 -3.838 434 HE3 MET 59 HE3 MET 59 0.515 -4.090 -4.912 435 H ASP 60 HN ASP 60 0.247 -11.006 -7.403 436 HA ASP 60 HA ASP 60 -2.514 -10.614 -7.635 437 HB2 ASP 60 HB2 ASP 60 -0.847 -13.049 -8.283 438 HB3 ASP 60 HB1 ASP 60 -2.518 -12.827 -8.784 439 H GLY 61 HN GLY 61 -0.651 -12.886 -5.667 440 HA2 GLY 61 HA2 GLY 61 -2.887 -14.337 -4.685 441 HA3 GLY 61 HA1 GLY 61 -1.281 -14.306 -3.972 442 H VAL 62 HN VAL 62 -1.314 -11.386 -3.719 443 HA VAL 62 HA VAL 62 -2.387 -11.199 -1.112 444 HB VAL 62 HB VAL 62 -1.480 -9.000 -2.986 445 HG11 VAL 62 HG11 VAL 62 -2.939 -8.112 -1.240 446 HG12 VAL 62 HG12 VAL 62 -1.268 -7.615 -0.973 447 HG13 VAL 62 HG13 VAL 62 -1.967 -8.914 -0.006 448 HG21 VAL 62 HG21 VAL 62 0.282 -10.601 -2.474 449 HG22 VAL 62 HG22 VAL 62 -0.045 -10.430 -0.750 450 HG23 VAL 62 HG23 VAL 62 0.592 -9.064 -1.665 451 H PHE 63 HN PHE 63 -3.479 -9.903 -4.243 452 HA PHE 63 HA PHE 63 -5.785 -8.610 -3.232 453 HB2 PHE 63 HB2 PHE 63 -5.264 -9.692 -6.015 454 HB3 PHE 63 HB1 PHE 63 -6.594 -8.622 -5.581 455 HD1 PHE 63 HD1 PHE 63 -5.618 -6.506 -4.104 456 HD2 PHE 63 HD2 PHE 63 -3.586 -8.652 -7.166 457 HE1 PHE 63 HE1 PHE 63 -4.196 -4.547 -4.529 458 HE2 PHE 63 HE2 PHE 63 -2.159 -6.698 -7.593 459 HZ PHE 63 HZ PHE 63 -2.464 -4.643 -6.275 460 H LYS 64 HN LYS 64 -5.217 -11.848 -4.487 461 HA LYS 64 HA LYS 64 -7.879 -12.703 -4.658 462 HB2 LYS 64 HB2 LYS 64 -5.943 -13.875 -5.674 463 HB3 LYS 64 HB1 LYS 64 -5.415 -14.355 -4.071 464 HG2 LYS 64 HG2 LYS 64 -7.553 -15.590 -3.797 465 HG3 LYS 64 HG1 LYS 64 -7.935 -15.203 -5.478 466 HD2 LYS 64 HD2 LYS 64 -5.835 -16.325 -6.164 467 HD3 LYS 64 HD1 LYS 64 -5.569 -16.791 -4.484 468 HE2 LYS 64 HE2 LYS 64 -6.541 -18.648 -5.643 469 HE3 LYS 64 HE1 LYS 64 -7.745 -17.991 -4.536 470 HZ1 LYS 64 HZ1 LYS 64 -8.822 -16.890 -6.360 471 HZ2 LYS 64 HZ2 LYS 64 -8.638 -18.522 -6.749 472 HZ3 LYS 64 HZ3 LYS 64 -7.610 -17.372 -7.435 473 H ASP 65 HN ASP 65 -5.504 -13.067 -2.029 474 HA ASP 65 HA ASP 65 -7.351 -14.422 -0.315 475 HB2 ASP 65 HB2 ASP 65 -4.774 -14.494 -0.221 476 HB3 ASP 65 HB1 ASP 65 -4.892 -12.962 0.639 477 H GLY 66 HN GLY 66 -6.464 -11.130 -0.923 478 HA2 GLY 66 HA2 GLY 66 -7.403 -9.912 1.416 479 HA3 GLY 66 HA1 GLY 66 -7.264 -9.128 -0.152 480 H VAL 67 HN VAL 67 -9.090 -10.848 -1.527 481 HA VAL 67 HA VAL 67 -11.505 -9.504 -1.050 482 HB VAL 67 HB VAL 67 -11.064 -12.115 -2.520 483 HG11 VAL 67 HG11 VAL 67 -13.154 -11.582 -3.687 484 HG12 VAL 67 HG12 VAL 67 -13.378 -10.182 -2.640 485 HG13 VAL 67 HG13 VAL 67 -13.411 -11.808 -1.957 486 HG21 VAL 67 HG21 VAL 67 -11.136 -9.271 -3.520 487 HG22 VAL 67 HG22 VAL 67 -11.048 -10.708 -4.538 488 HG23 VAL 67 HG23 VAL 67 -9.721 -10.319 -3.443 489 H GLY 68 HN GLY 68 -10.302 -12.617 0.053 490 HA2 GLY 68 HA2 GLY 68 -12.822 -13.219 1.393 491 HA3 GLY 68 HA1 GLY 68 -11.415 -14.271 1.300 492 H ALA 69 HN ALA 69 -10.516 -11.146 2.116 493 HA ALA 69 HA ALA 69 -10.445 -11.857 4.976 494 HB1 ALA 69 HB1 ALA 69 -8.453 -10.122 3.531 495 HB2 ALA 69 HB2 ALA 69 -8.229 -11.846 3.814 496 HB3 ALA 69 HB3 ALA 69 -8.343 -10.736 5.178 497 H ALA 70 HN ALA 70 -12.644 -10.588 3.918 498 HA ALA 70 HA ALA 70 -12.606 -7.790 3.871 499 HB1 ALA 70 HB1 ALA 70 -14.899 -9.583 4.662 500 HB2 ALA 70 HB2 ALA 70 -14.446 -9.184 3.005 501 HB3 ALA 70 HB3 ALA 70 -15.013 -7.917 4.093 502 H ASP 71 HN ASP 71 -12.668 -10.025 6.513 503 HA ASP 71 HA ASP 71 -13.603 -8.111 8.445 504 HB2 ASP 71 HB2 ASP 71 -12.513 -10.908 8.701 505 HB3 ASP 71 HB1 ASP 71 -12.988 -9.935 10.091 506 H THR 72 HN THR 72 -10.613 -8.684 7.001 507 HA THR 72 HA THR 72 -9.326 -7.210 9.181 508 HB THR 72 HB THR 72 -8.548 -9.450 9.492 509 HG1 THR 72 HG1 THR 72 -6.528 -7.991 8.107 510 HG21 THR 72 HG21 THR 72 -7.354 -10.697 7.743 511 HG22 THR 72 HG22 THR 72 -7.739 -9.422 6.585 512 HG23 THR 72 HG23 THR 72 -9.033 -10.387 7.297 513 H ASP 73 HN ASP 73 -10.334 -5.836 7.202 514 HA ASP 73 HA ASP 73 -9.809 -4.069 5.893 515 HB2 ASP 73 HB2 ASP 73 -6.991 -4.716 6.771 516 HB3 ASP 73 HB1 ASP 73 -7.452 -3.259 5.895 517 H TYR 74 HN TYR 74 -9.745 -6.882 4.843 518 HA TYR 74 HA TYR 74 -9.533 -7.905 2.842 519 HB2 TYR 74 HB2 TYR 74 -9.112 -5.069 1.891 520 HB3 TYR 74 HB1 TYR 74 -9.291 -6.451 0.810 521 HD1 TYR 74 HD1 TYR 74 -11.452 -7.855 1.095 522 HD2 TYR 74 HD2 TYR 74 -10.976 -3.908 2.606 523 HE1 TYR 74 HE1 TYR 74 -13.893 -7.600 1.178 524 HE2 TYR 74 HE2 TYR 74 -13.416 -3.642 2.697 525 HH TYR 74 HH TYR 74 -15.567 -6.265 2.346 526 H VAL 75 HN VAL 75 -7.234 -7.740 4.520 527 HA VAL 75 HA VAL 75 -5.281 -8.531 2.553 528 HB VAL 75 HB VAL 75 -4.811 -6.139 2.727 529 HG11 VAL 75 HG11 VAL 75 -4.016 -5.155 4.829 530 HG12 VAL 75 HG12 VAL 75 -4.417 -6.652 5.668 531 HG13 VAL 75 HG13 VAL 75 -5.694 -5.686 4.929 532 HG21 VAL 75 HG21 VAL 75 -2.719 -7.837 4.087 533 HG22 VAL 75 HG22 VAL 75 -2.434 -6.272 3.325 534 HG23 VAL 75 HG23 VAL 75 -2.943 -7.648 2.348 535 H LYS 76 HN LYS 76 -4.003 -10.134 3.310 536 HA LYS 76 HA LYS 76 -4.656 -11.237 5.890 537 HB2 LYS 76 HB2 LYS 76 -4.404 -12.676 3.900 538 HB3 LYS 76 HB1 LYS 76 -2.712 -12.210 3.784 539 HG2 LYS 76 HG2 LYS 76 -2.237 -13.265 5.905 540 HG3 LYS 76 HG1 LYS 76 -3.942 -13.654 6.117 541 HD2 LYS 76 HD2 LYS 76 -3.866 -15.080 4.129 542 HD3 LYS 76 HD1 LYS 76 -2.156 -14.691 3.918 543 HE2 LYS 76 HE2 LYS 76 -1.644 -15.705 6.076 544 HE3 LYS 76 HE1 LYS 76 -3.353 -16.056 6.331 545 HZ1 LYS 76 HZ1 LYS 76 -2.132 -17.993 5.550 546 HZ2 LYS 76 HZ2 LYS 76 -1.681 -17.173 4.144 547 HZ3 LYS 76 HZ3 LYS 76 -3.307 -17.529 4.428 548 HA PRO 77 HA PRO 77 -1.232 -8.889 7.702 549 HB2 PRO 77 HB2 PRO 77 -2.199 -10.172 10.173 550 HB3 PRO 77 HB1 PRO 77 -1.994 -8.456 9.802 551 HG2 PRO 77 HG2 PRO 77 -4.432 -9.553 9.977 552 HG3 PRO 77 HG1 PRO 77 -4.065 -8.284 8.790 553 HD2 PRO 77 HD2 PRO 77 -4.286 -11.247 8.383 554 HD3 PRO 77 HD1 PRO 77 -4.881 -9.922 7.357 555 H ASP 78 HN ASP 78 -1.961 -12.286 8.050 556 HA ASP 78 HA ASP 78 0.707 -12.806 9.141 557 HB2 ASP 78 HB2 ASP 78 -1.656 -14.665 8.807 558 HB3 ASP 78 HB1 ASP 78 -0.116 -15.108 9.528 559 H ASP 79 HN ASP 79 0.120 -12.051 6.309 560 HA ASP 79 HA ASP 79 1.092 -14.467 4.959 561 HB2 ASP 79 HB2 ASP 79 -0.901 -13.124 4.060 562 HB3 ASP 79 HB1 ASP 79 0.283 -11.905 3.599 563 H ALA 80 HN ALA 80 3.050 -14.506 3.915 564 HA ALA 80 HA ALA 80 4.978 -12.615 4.952 565 HB1 ALA 80 HB1 ALA 80 5.472 -14.992 5.059 566 HB2 ALA 80 HB2 ALA 80 6.654 -14.158 4.053 567 HB3 ALA 80 HB3 ALA 80 5.372 -15.108 3.304 568 H ARG 81 HN ARG 81 3.218 -13.024 2.056 569 HA ARG 81 HA ARG 81 5.164 -11.946 0.256 570 HB2 ARG 81 HB2 ARG 81 2.163 -12.221 0.039 571 HB3 ARG 81 HB1 ARG 81 3.186 -11.631 -1.263 572 HG2 ARG 81 HG2 ARG 81 4.268 -13.722 -1.490 573 HG3 ARG 81 HG1 ARG 81 3.578 -14.320 0.022 574 HD2 ARG 81 HD2 ARG 81 1.944 -13.566 -2.396 575 HD3 ARG 81 HD1 ARG 81 2.485 -15.209 -2.047 576 HE ARG 81 HE ARG 81 1.090 -14.051 0.162 577 HH11 ARG 81 HH11 ARG 81 0.619 -15.567 -2.965 578 HH12 ARG 81 HH12 ARG 81 -0.931 -16.226 -2.558 579 HH21 ARG 81 HH21 ARG 81 -0.948 -14.904 0.704 580 HH22 ARG 81 HH22 ARG 81 -1.841 -15.827 -0.472 581 H VAL 82 HN VAL 82 2.777 -10.651 2.398 582 HA VAL 82 HA VAL 82 3.022 -7.971 1.307 583 HB VAL 82 HB VAL 82 1.510 -8.855 3.769 584 HG11 VAL 82 HG11 VAL 82 0.240 -6.773 3.402 585 HG12 VAL 82 HG12 VAL 82 1.322 -6.368 2.070 586 HG13 VAL 82 HG13 VAL 82 1.950 -6.473 3.714 587 HG21 VAL 82 HG21 VAL 82 -0.497 -8.860 2.356 588 HG22 VAL 82 HG22 VAL 82 0.676 -10.065 1.826 589 HG23 VAL 82 HG23 VAL 82 0.506 -8.550 0.938 590 H VAL 83 HN VAL 83 4.610 -6.706 1.894 591 HA VAL 83 HA VAL 83 6.344 -7.323 4.092 592 HB VAL 83 HB VAL 83 6.243 -4.865 2.326 593 HG11 VAL 83 HG11 VAL 83 7.444 -4.448 4.406 594 HG12 VAL 83 HG12 VAL 83 8.549 -4.489 3.031 595 HG13 VAL 83 HG13 VAL 83 8.445 -5.871 4.122 596 HG21 VAL 83 HG21 VAL 83 6.610 -6.862 1.017 597 HG22 VAL 83 HG22 VAL 83 7.892 -7.378 2.112 598 HG23 VAL 83 HG23 VAL 83 8.105 -5.932 1.123 599 H ALA 84 HN ALA 84 3.946 -4.852 3.373 600 HA ALA 84 HA ALA 84 3.381 -4.424 6.150 601 HB1 ALA 84 HB1 ALA 84 5.357 -3.006 5.928 602 HB2 ALA 84 HB2 ALA 84 3.911 -2.024 6.156 603 HB3 ALA 84 HB3 ALA 84 4.625 -2.185 4.551 604 H HIS 85 HN HIS 85 1.492 -3.034 6.425 605 HA HIS 85 HA HIS 85 0.101 -2.217 4.013 606 HB2 HIS 85 HB2 HIS 85 -1.864 -3.564 4.366 607 HB3 HIS 85 HB1 HIS 85 -0.478 -4.643 4.299 608 HD1 HIS 85 HD1 HIS 85 -3.235 -3.511 6.491 609 HD2 HIS 85 HD2 HIS 85 0.204 -5.827 6.831 610 HE1 HIS 85 HE1 HIS 85 -3.483 -4.784 8.645 611 HE2 HIS 85 HE2 HIS 85 -1.291 -5.988 8.931 612 H THR 86 HN THR 86 -1.520 -0.723 4.383 613 HA THR 86 HA THR 86 -1.753 0.334 7.086 614 HB THR 86 HB THR 86 -3.148 2.083 6.066 615 HG1 THR 86 HG1 THR 86 -4.221 1.292 4.386 616 HG21 THR 86 HG21 THR 86 -0.664 2.291 5.993 617 HG22 THR 86 HG22 THR 86 -1.488 3.163 4.701 618 HG23 THR 86 HG23 THR 86 -0.703 1.622 4.361 619 H LYS 87 HN LYS 87 -4.168 0.915 7.677 620 HA LYS 87 HA LYS 87 -5.744 -1.514 7.358 621 HB2 LYS 87 HB2 LYS 87 -7.290 -0.434 8.997 622 HB3 LYS 87 HB1 LYS 87 -5.657 -0.659 9.603 623 HG2 LYS 87 HG2 LYS 87 -5.158 1.665 9.276 624 HG3 LYS 87 HG1 LYS 87 -6.719 1.927 8.498 625 HD2 LYS 87 HD2 LYS 87 -6.758 2.698 10.809 626 HD3 LYS 87 HD1 LYS 87 -7.857 1.341 10.577 627 HE2 LYS 87 HE2 LYS 87 -6.651 1.078 12.655 628 HE3 LYS 87 HE1 LYS 87 -6.159 -0.171 11.516 629 HZ1 LYS 87 HZ1 LYS 87 -4.272 0.783 12.689 630 HZ2 LYS 87 HZ2 LYS 87 -4.649 2.319 12.090 631 HZ3 LYS 87 HZ3 LYS 87 -4.169 1.095 11.030 632 H LEU 88 HN LEU 88 -8.123 -1.219 6.921 633 HA LEU 88 HA LEU 88 -8.348 0.179 4.404 634 HB2 LEU 88 HB2 LEU 88 -9.235 -2.168 5.031 635 HB3 LEU 88 HB1 LEU 88 -10.535 -1.321 5.836 636 HG LEU 88 HG LEU 88 -11.045 -2.198 3.532 637 HD11 LEU 88 HD11 LEU 88 -11.353 0.764 3.967 638 HD12 LEU 88 HD12 LEU 88 -12.440 -0.500 4.541 639 HD13 LEU 88 HD13 LEU 88 -12.264 -0.207 2.813 640 HD21 LEU 88 HD21 LEU 88 -9.233 0.055 2.679 641 HD22 LEU 88 HD22 LEU 88 -10.253 -0.912 1.618 642 HD23 LEU 88 HD23 LEU 88 -8.913 -1.665 2.478 643 H ILE 89 HN ILE 89 -8.606 2.316 4.577 644 HA ILE 89 HA ILE 89 -10.225 3.360 6.794 645 HB ILE 89 HB ILE 89 -9.079 5.533 6.316 646 HG12 ILE 89 HG12 ILE 89 -7.291 3.819 4.572 647 HG13 ILE 89 HG11 ILE 89 -8.435 5.016 3.975 648 HG21 ILE 89 HG21 ILE 89 -7.300 3.208 7.022 649 HG22 ILE 89 HG22 ILE 89 -8.377 4.062 8.126 650 HG23 ILE 89 HG23 ILE 89 -6.996 4.900 7.414 651 HD11 ILE 89 HD11 ILE 89 -6.035 5.571 5.705 652 HD12 ILE 89 HD12 ILE 89 -7.181 6.774 5.120 653 HD13 ILE 89 HD13 ILE 89 -6.174 5.887 3.976 654 H GLY 90 HN GLY 90 -11.789 4.875 6.508 655 HA2 GLY 90 HA2 GLY 90 -12.819 5.187 3.778 656 HA3 GLY 90 HA1 GLY 90 -13.714 5.502 5.264 657 H GLY 91 HN GLY 91 -14.208 7.474 3.903 658 HA2 GLY 91 HA2 GLY 91 -12.179 9.384 3.378 659 HA3 GLY 91 HA1 GLY 91 -13.908 9.688 3.382 660 H GLY 92 HN GLY 92 -11.018 10.374 4.895 661 HA2 GLY 92 HA2 GLY 92 -11.148 12.273 6.450 662 HA3 GLY 92 HA1 GLY 92 -12.480 11.431 7.234 663 H GLU 93 HN GLU 93 -10.555 8.965 6.569 664 HA GLU 93 HA GLU 93 -9.151 9.222 9.138 665 HB2 GLU 93 HB2 GLU 93 -10.226 6.840 7.660 666 HB3 GLU 93 HB1 GLU 93 -9.009 6.658 8.919 667 HG2 GLU 93 HG2 GLU 93 -11.745 7.870 9.240 668 HG3 GLU 93 HG1 GLU 93 -11.228 6.280 9.800 669 H GLU 94 HN GLU 94 -7.051 8.334 9.353 670 HA GLU 94 HA GLU 94 -5.538 8.121 6.837 671 HB2 GLU 94 HB2 GLU 94 -4.612 9.356 9.449 672 HB3 GLU 94 HB1 GLU 94 -3.598 9.116 8.035 673 HG2 GLU 94 HG2 GLU 94 -4.153 11.351 7.930 674 HG3 GLU 94 HG1 GLU 94 -5.296 10.606 6.816 675 H SER 95 HN SER 95 -3.661 6.732 6.938 676 HA SER 95 HA SER 95 -3.267 5.100 9.302 677 HB2 SER 95 HB2 SER 95 -5.074 3.885 8.143 678 HB3 SER 95 HB1 SER 95 -4.102 3.836 6.671 679 HG SER 95 HG SER 95 -3.139 2.759 9.101 680 H SER 96 HN SER 96 -1.196 4.236 9.392 681 HA SER 96 HA SER 96 0.543 4.822 7.093 682 HB2 SER 96 HB2 SER 96 1.212 5.354 10.004 683 HB3 SER 96 HB1 SER 96 2.269 5.653 8.623 684 HG SER 96 HG SER 96 -0.112 6.980 9.364 685 H LEU 97 HN LEU 97 2.569 3.631 7.105 686 HA LEU 97 HA LEU 97 2.693 1.305 8.866 687 HB2 LEU 97 HB2 LEU 97 3.135 -0.208 6.981 688 HB3 LEU 97 HB1 LEU 97 1.522 0.472 6.917 689 HG LEU 97 HG LEU 97 2.579 2.198 5.266 690 HD11 LEU 97 HD11 LEU 97 4.913 1.518 5.631 691 HD12 LEU 97 HD12 LEU 97 4.425 1.338 3.948 692 HD13 LEU 97 HD13 LEU 97 4.538 -0.079 4.987 693 HD21 LEU 97 HD21 LEU 97 2.048 0.773 3.397 694 HD22 LEU 97 HD22 LEU 97 0.896 0.484 4.699 695 HD23 LEU 97 HD23 LEU 97 2.201 -0.663 4.405 696 H THR 98 HN THR 98 4.826 0.312 8.886 697 HA THR 98 HA THR 98 6.925 1.965 7.669 698 HB THR 98 HB THR 98 8.359 1.284 9.667 699 HG1 THR 98 HG1 THR 98 7.435 0.280 11.282 700 HG21 THR 98 HG21 THR 98 7.518 3.127 11.067 701 HG22 THR 98 HG22 THR 98 6.044 3.171 10.100 702 HG23 THR 98 HG23 THR 98 7.596 3.566 9.360 703 H LEU 99 HN LEU 99 8.201 0.854 6.367 704 HA LEU 99 HA LEU 99 8.424 -2.056 6.777 705 HB2 LEU 99 HB2 LEU 99 8.581 -2.340 4.361 706 HB3 LEU 99 HB1 LEU 99 7.075 -1.553 4.793 707 HG LEU 99 HG LEU 99 8.520 0.631 4.252 708 HD11 LEU 99 HD11 LEU 99 9.731 -1.518 2.516 709 HD12 LEU 99 HD12 LEU 99 10.572 -0.549 3.726 710 HD13 LEU 99 HD13 LEU 99 9.928 0.217 2.273 711 HD21 LEU 99 HD21 LEU 99 6.404 0.106 3.222 712 HD22 LEU 99 HD22 LEU 99 7.160 -1.145 2.233 713 HD23 LEU 99 HD23 LEU 99 7.568 0.550 1.971 714 H ASP 100 HN ASP 100 10.461 -3.003 6.172 715 HA ASP 100 HA ASP 100 12.651 -1.111 6.502 716 HB2 ASP 100 HB2 ASP 100 14.052 -3.008 7.051 717 HB3 ASP 100 HB1 ASP 100 12.567 -3.102 7.986 718 HA PRO 101 HA PRO 101 13.571 -1.230 2.176 719 HB2 PRO 101 HB2 PRO 101 16.321 -0.500 2.904 720 HB3 PRO 101 HB1 PRO 101 15.134 0.408 1.964 721 HG2 PRO 101 HG2 PRO 101 15.854 1.145 4.448 722 HG3 PRO 101 HG1 PRO 101 14.206 1.386 3.829 723 HD2 PRO 101 HD2 PRO 101 15.256 -0.720 5.684 724 HD3 PRO 101 HD1 PRO 101 13.717 0.170 5.734 725 H ALA 102 HN ALA 102 15.127 -3.169 4.501 726 HA ALA 102 HA ALA 102 17.057 -4.426 2.837 727 HB1 ALA 102 HB1 ALA 102 17.264 -4.442 5.262 728 HB2 ALA 102 HB2 ALA 102 17.218 -6.087 4.629 729 HB3 ALA 102 HB3 ALA 102 15.789 -5.396 5.395 730 H LYS 103 HN LYS 103 13.704 -5.092 3.668 731 HA LYS 103 HA LYS 103 13.564 -7.646 2.462 732 HB2 LYS 103 HB2 LYS 103 11.913 -6.788 4.093 733 HB3 LYS 103 HB1 LYS 103 11.345 -5.636 2.896 734 HG2 LYS 103 HG2 LYS 103 9.821 -7.463 2.958 735 HG3 LYS 103 HG1 LYS 103 10.716 -7.554 1.441 736 HD2 LYS 103 HD2 LYS 103 12.156 -9.276 2.365 737 HD3 LYS 103 HD1 LYS 103 11.349 -9.143 3.927 738 HE2 LYS 103 HE2 LYS 103 10.437 -11.049 2.849 739 HE3 LYS 103 HE1 LYS 103 9.216 -9.782 2.762 740 HZ1 LYS 103 HZ1 LYS 103 9.344 -10.860 0.662 741 HZ2 LYS 103 HZ2 LYS 103 11.022 -10.674 0.586 742 HZ3 LYS 103 HZ3 LYS 103 10.017 -9.317 0.471 743 H LEU 104 HN LEU 104 13.304 -4.401 1.193 744 HA LEU 104 HA LEU 104 12.202 -5.287 -1.325 745 HB2 LEU 104 HB2 LEU 104 12.985 -2.644 -0.186 746 HB3 LEU 104 HB1 LEU 104 12.851 -2.804 -1.928 747 HG LEU 104 HG LEU 104 10.500 -3.479 -1.703 748 HD11 LEU 104 HD11 LEU 104 10.595 -4.571 0.467 749 HD12 LEU 104 HD12 LEU 104 9.357 -3.315 0.452 750 HD13 LEU 104 HD13 LEU 104 10.902 -3.022 1.250 751 HD21 LEU 104 HD21 LEU 104 9.605 -1.336 -0.972 752 HD22 LEU 104 HD22 LEU 104 11.045 -1.116 -1.967 753 HD23 LEU 104 HD23 LEU 104 11.146 -0.940 -0.214 754 H ALA 105 HN ALA 105 15.280 -4.951 0.049 755 HA ALA 105 HA ALA 105 16.736 -4.612 -2.405 756 HB1 ALA 105 HB1 ALA 105 17.707 -5.491 0.316 757 HB2 ALA 105 HB2 ALA 105 17.658 -3.830 -0.272 758 HB3 ALA 105 HB3 ALA 105 18.725 -5.005 -1.040 759 H ASP 106 HN ASP 106 15.264 -6.486 -3.227 760 HA ASP 106 HA ASP 106 16.904 -8.786 -3.561 761 HB2 ASP 106 HB2 ASP 106 16.127 -9.413 -1.377 762 HB3 ASP 106 HB1 ASP 106 14.459 -9.058 -1.811 763 H GLY 107 HN GLY 107 13.759 -7.239 -3.965 764 HA2 GLY 107 HA2 GLY 107 13.556 -8.548 -6.569 765 HA3 GLY 107 HA1 GLY 107 12.253 -8.834 -5.431 766 H ASP 108 HN ASP 108 11.198 -7.922 -7.440 767 HA ASP 108 HA ASP 108 11.183 -5.000 -7.502 768 HB2 ASP 108 HB2 ASP 108 11.279 -6.208 -9.657 769 HB3 ASP 108 HB1 ASP 108 9.761 -7.009 -9.266 770 H TYR 109 HN TYR 109 9.782 -3.961 -6.277 771 HA TYR 109 HA TYR 109 7.450 -5.429 -5.291 772 HB2 TYR 109 HB2 TYR 109 9.117 -3.230 -4.094 773 HB3 TYR 109 HB1 TYR 109 7.514 -3.606 -3.472 774 HD1 TYR 109 HD1 TYR 109 10.798 -5.167 -4.223 775 HD2 TYR 109 HD2 TYR 109 7.247 -5.306 -1.888 776 HE1 TYR 109 HE1 TYR 109 11.777 -6.942 -2.842 777 HE2 TYR 109 HE2 TYR 109 8.220 -7.085 -0.505 778 HH TYR 109 HH TYR 109 9.942 -8.801 -0.644 779 H LYS 110 HN LYS 110 5.453 -4.378 -5.048 780 HA LYS 110 HA LYS 110 5.136 -1.776 -6.328 781 HB2 LYS 110 HB2 LYS 110 3.186 -2.556 -7.623 782 HB3 LYS 110 HB1 LYS 110 4.661 -3.384 -8.116 783 HG2 LYS 110 HG2 LYS 110 4.011 -5.323 -6.769 784 HG3 LYS 110 HG1 LYS 110 2.524 -4.493 -6.306 785 HD2 LYS 110 HD2 LYS 110 3.284 -5.110 -9.160 786 HD3 LYS 110 HD1 LYS 110 2.285 -6.169 -8.166 787 HE2 LYS 110 HE2 LYS 110 0.668 -4.981 -9.274 788 HE3 LYS 110 HE1 LYS 110 0.857 -3.990 -7.830 789 HZ1 LYS 110 HZ1 LYS 110 2.260 -2.484 -9.065 790 HZ2 LYS 110 HZ2 LYS 110 0.800 -2.684 -9.894 791 HZ3 LYS 110 HZ3 LYS 110 2.191 -3.473 -10.431 792 H PHE 111 HN PHE 111 3.147 -0.713 -5.685 793 HA PHE 111 HA PHE 111 2.046 -1.839 -3.191 794 HB2 PHE 111 HB2 PHE 111 1.738 0.393 -2.336 795 HB3 PHE 111 HB1 PHE 111 3.408 0.236 -2.852 796 HD1 PHE 111 HD2 PHE 111 4.207 1.416 -4.842 797 HD2 PHE 111 HD1 PHE 111 0.230 1.909 -3.409 798 HE1 PHE 111 HE2 PHE 111 3.966 3.447 -6.208 799 HE2 PHE 111 HE1 PHE 111 -0.016 3.941 -4.773 800 HZ PHE 111 HZ PHE 111 1.855 4.712 -6.170 801 H ALA 112 HN ALA 112 -0.218 -1.390 -2.771 802 HA ALA 112 HA ALA 112 -1.849 -0.330 -4.874 803 HB1 ALA 112 HB1 ALA 112 -1.966 -3.309 -4.456 804 HB2 ALA 112 HB2 ALA 112 -1.176 -2.523 -5.821 805 HB3 ALA 112 HB3 ALA 112 -2.917 -2.354 -5.594 806 H CYS 113 HN CYS 113 -4.125 -0.601 -4.491 807 HA CYS 113 HA CYS 113 -4.851 -0.882 -1.669 808 HB2 CYS 113 HB2 CYS 113 -5.640 1.103 -2.981 809 HB3 CYS 113 HB1 CYS 113 -6.513 0.015 -4.050 810 H THR 114 HN THR 114 -5.801 -2.741 -0.958 811 HA THR 114 HA THR 114 -6.223 -4.816 -2.973 812 HB THR 114 HB THR 114 -6.323 -6.380 -1.032 813 HG1 THR 114 HG1 THR 114 -6.360 -5.621 0.942 814 HG21 THR 114 HG21 THR 114 -3.879 -4.613 -1.181 815 HG22 THR 114 HG22 THR 114 -4.219 -6.008 -2.203 816 HG23 THR 114 HG23 THR 114 -3.931 -6.229 -0.477 817 H PHE 115 HN PHE 115 -8.172 -2.554 -1.934 818 HA PHE 115 HA PHE 115 -10.459 -3.892 -0.957 819 HB2 PHE 115 HB2 PHE 115 -10.055 -1.396 -0.947 820 HB3 PHE 115 HB1 PHE 115 -10.413 -1.393 -2.668 821 HD1 PHE 115 HD1 PHE 115 -11.818 -1.831 0.699 822 HD2 PHE 115 HD2 PHE 115 -12.660 -1.604 -3.464 823 HE1 PHE 115 HE1 PHE 115 -14.215 -1.600 1.199 824 HE2 PHE 115 HE2 PHE 115 -15.056 -1.380 -2.972 825 HZ PHE 115 HZ PHE 115 -15.822 -1.301 -0.607 826 HA PRO 116 HA PRO 116 -11.632 -6.440 -4.359 827 HB2 PRO 116 HB2 PRO 116 -14.408 -5.649 -3.595 828 HB3 PRO 116 HB1 PRO 116 -13.725 -7.263 -3.847 829 HG2 PRO 116 HG2 PRO 116 -14.158 -6.359 -1.389 830 HG3 PRO 116 HG1 PRO 116 -12.701 -7.297 -1.768 831 HD2 PRO 116 HD2 PRO 116 -13.002 -4.358 -1.321 832 HD3 PRO 116 HD1 PRO 116 -11.663 -5.442 -0.880 833 H GLY 117 HN GLY 117 -11.145 -5.521 -6.262 834 HA2 GLY 117 HA2 GLY 117 -12.128 -4.841 -8.353 835 HA3 GLY 117 HA1 GLY 117 -13.198 -3.774 -7.450 836 H HIS 118 HN HIS 118 -10.851 -2.967 -5.741 837 HA HIS 118 HA HIS 118 -10.149 -0.683 -7.351 838 HB2 HIS 118 HB2 HIS 118 -9.504 -1.494 -4.519 839 HB3 HIS 118 HB1 HIS 118 -8.808 -0.064 -5.261 840 HD2 HIS 118 HD2 HIS 118 -12.458 -0.424 -6.265 841 HE1 HIS 118 HE1 HIS 118 -12.298 2.178 -2.926 842 HE2 HIS 118 HE2 HIS 118 -13.814 1.087 -4.644 843 H GLY 119 HN GLY 119 -8.567 -3.595 -6.208 844 HA2 GLY 119 HA2 GLY 119 -5.901 -2.812 -6.363 845 HA3 GLY 119 HA1 GLY 119 -6.471 -4.466 -6.508 846 H ALA 120 HN ALA 120 -8.024 -3.810 -8.945 847 HA ALA 120 HA ALA 120 -5.984 -4.518 -10.785 848 HB1 ALA 120 HB1 ALA 120 -8.278 -5.347 -10.964 849 HB2 ALA 120 HB2 ALA 120 -7.755 -4.546 -12.445 850 HB3 ALA 120 HB3 ALA 120 -8.835 -3.715 -11.329 851 H LEU 121 HN LEU 121 -7.180 -1.499 -9.727 852 HA LEU 121 HA LEU 121 -5.925 -0.170 -12.041 853 HB2 LEU 121 HB2 LEU 121 -8.327 0.200 -12.055 854 HB3 LEU 121 HB1 LEU 121 -8.283 0.746 -10.387 855 HG LEU 121 HG LEU 121 -6.783 2.639 -11.190 856 HD11 LEU 121 HD11 LEU 121 -6.981 3.228 -13.563 857 HD12 LEU 121 HD12 LEU 121 -7.798 1.695 -13.864 858 HD13 LEU 121 HD13 LEU 121 -6.121 1.708 -13.321 859 HD21 LEU 121 HD21 LEU 121 -8.673 3.983 -11.939 860 HD22 LEU 121 HD22 LEU 121 -9.133 2.948 -10.586 861 HD23 LEU 121 HD23 LEU 121 -9.612 2.520 -12.229 862 H MET 122 HN MET 122 -6.420 -0.129 -8.550 863 HA MET 122 HA MET 122 -4.765 2.255 -8.278 864 HB2 MET 122 HB2 MET 122 -6.053 0.646 -6.068 865 HB3 MET 122 HB1 MET 122 -5.449 2.295 -5.976 866 HG2 MET 122 HG2 MET 122 -7.191 2.941 -7.633 867 HG3 MET 122 HG1 MET 122 -7.848 1.314 -7.489 868 HE1 MET 122 HE1 MET 122 -9.753 3.727 -7.039 869 HE2 MET 122 HE2 MET 122 -10.597 3.128 -5.614 870 HE3 MET 122 HE3 MET 122 -10.137 2.013 -6.894 871 H ASN 123 HN ASN 123 -2.928 0.988 -9.160 872 HA ASN 123 HA ASN 123 -1.358 0.057 -6.906 873 HB2 ASN 123 HB2 ASN 123 -0.514 -1.928 -8.090 874 HB3 ASN 123 HB1 ASN 123 -2.253 -2.038 -7.826 875 HD21 ASN 123 HD21 ASN 123 -3.626 -2.011 -9.569 876 HD22 ASN 123 HD22 ASN 123 -3.067 -2.138 -11.203 877 H GLY 124 HN GLY 124 0.862 0.270 -7.189 878 HA2 GLY 124 HA2 GLY 124 1.812 1.453 -9.691 879 HA3 GLY 124 HA1 GLY 124 1.929 2.446 -8.242 880 H LYS 125 HN LYS 125 4.255 2.365 -8.818 881 HA LYS 125 HA LYS 125 5.544 -0.207 -8.213 882 HB2 LYS 125 HB2 LYS 125 6.590 2.260 -9.612 883 HB3 LYS 125 HB1 LYS 125 7.541 0.819 -9.291 884 HG2 LYS 125 HG2 LYS 125 5.015 0.772 -10.914 885 HG3 LYS 125 HG1 LYS 125 6.607 1.056 -11.620 886 HD2 LYS 125 HD2 LYS 125 5.833 -1.379 -10.012 887 HD3 LYS 125 HD1 LYS 125 5.887 -1.304 -11.775 888 HE2 LYS 125 HE2 LYS 125 8.298 -0.666 -11.591 889 HE3 LYS 125 HE1 LYS 125 8.191 -0.972 -9.859 890 HZ1 LYS 125 HZ1 LYS 125 9.072 -2.877 -11.043 891 HZ2 LYS 125 HZ2 LYS 125 7.674 -2.966 -11.991 892 HZ3 LYS 125 HZ3 LYS 125 7.589 -3.256 -10.328 893 H VAL 126 HN VAL 126 6.985 -0.407 -6.552 894 HA VAL 126 HA VAL 126 7.858 2.052 -5.219 895 HB VAL 126 HB VAL 126 6.255 1.166 -3.695 896 HG11 VAL 126 HG11 VAL 126 6.388 -1.131 -2.799 897 HG12 VAL 126 HG12 VAL 126 7.641 -1.489 -3.988 898 HG13 VAL 126 HG13 VAL 126 6.011 -1.076 -4.519 899 HG21 VAL 126 HG21 VAL 126 8.310 1.974 -2.674 900 HG22 VAL 126 HG22 VAL 126 9.009 0.358 -2.776 901 HG23 VAL 126 HG23 VAL 126 7.619 0.652 -1.730 902 H THR 127 HN THR 127 9.954 2.254 -5.381 903 HA THR 127 HA THR 127 11.534 -0.171 -5.953 904 HB THR 127 HB THR 127 11.986 2.616 -7.044 905 HG1 THR 127 HG1 THR 127 10.154 1.719 -8.004 906 HG21 THR 127 HG21 THR 127 13.279 -0.024 -7.750 907 HG22 THR 127 HG22 THR 127 14.044 1.298 -6.869 908 HG23 THR 127 HG23 THR 127 13.577 1.516 -8.556 909 H LEU 128 HN LEU 128 13.459 -0.435 -4.952 910 HA LEU 128 HA LEU 128 14.127 1.263 -2.718 911 HB2 LEU 128 HB2 LEU 128 14.393 -1.219 -2.671 912 HB3 LEU 128 HB1 LEU 128 15.633 -1.076 -3.905 913 HG LEU 128 HG LEU 128 16.874 0.423 -2.233 914 HD11 LEU 128 HD11 LEU 128 14.912 -0.912 -0.382 915 HD12 LEU 128 HD12 LEU 128 15.052 0.816 -0.699 916 HD13 LEU 128 HD13 LEU 128 16.357 -0.037 0.119 917 HD21 LEU 128 HD21 LEU 128 16.492 -2.511 -1.669 918 HD22 LEU 128 HD22 LEU 128 17.838 -1.525 -1.101 919 HD23 LEU 128 HD23 LEU 128 17.618 -1.806 -2.828 920 H VAL 129 HN VAL 129 15.485 2.943 -2.791 921 HA VAL 129 HA VAL 129 17.125 3.234 -5.218 922 HB VAL 129 HB VAL 129 17.114 5.660 -4.833 923 HG11 VAL 129 HG11 VAL 129 14.360 4.440 -4.965 924 HG12 VAL 129 HG12 VAL 129 15.467 4.650 -6.321 925 HG13 VAL 129 HG13 VAL 129 14.800 6.061 -5.502 926 HG21 VAL 129 HG21 VAL 129 15.565 6.658 -3.223 927 HG22 VAL 129 HG22 VAL 129 16.790 5.680 -2.416 928 HG23 VAL 129 HG23 VAL 129 15.154 5.052 -2.619 929 H ASP 130 HN ASP 130 19.168 4.253 -5.008 930 HA ASP 130 HA ASP 130 20.475 3.562 -2.460 931 HB2 ASP 130 HB2 ASP 130 21.091 2.126 -4.387 932 HB3 ASP 130 HB1 ASP 130 21.631 3.556 -5.259 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 13.407 11.365 -3.218 2 H2 ALA 1 HT2 ALA 1 13.762 11.208 -4.862 3 H3 ALA 1 HT3 ALA 1 13.347 12.718 -4.230 4 HA ALA 1 HA ALA 1 15.733 12.499 -4.650 5 HB1 ALA 1 HB1 ALA 1 16.459 13.388 -2.519 6 HB2 ALA 1 HB2 ALA 1 15.018 12.744 -1.732 7 HB3 ALA 1 HB3 ALA 1 14.869 14.031 -2.928 8 H THR 2 HN THR 2 17.212 10.971 -4.951 9 HA THR 2 HA THR 2 17.197 8.433 -3.742 10 HB THR 2 HB THR 2 19.687 8.461 -4.553 11 HG1 THR 2 HG1 THR 2 19.907 10.099 -6.250 12 HG21 THR 2 HG21 THR 2 17.365 8.748 -6.466 13 HG22 THR 2 HG22 THR 2 17.912 7.255 -5.705 14 HG23 THR 2 HG23 THR 2 18.941 8.075 -6.878 15 H ALA 3 HN ALA 3 17.607 7.951 -1.706 16 HA ALA 3 HA ALA 3 18.380 7.993 0.423 17 HB1 ALA 3 HB1 ALA 3 20.545 7.586 -0.654 18 HB2 ALA 3 HB2 ALA 3 20.719 8.571 0.798 19 HB3 ALA 3 HB3 ALA 3 20.802 9.325 -0.793 20 H GLY 4 HN GLY 4 16.617 10.013 -0.296 21 HA2 GLY 4 HA2 GLY 4 17.420 12.080 1.622 22 HA3 GLY 4 HA1 GLY 4 16.914 12.588 0.018 23 H ASN 5 HN ASN 5 15.522 9.870 1.754 24 HA ASN 5 HA ASN 5 13.305 11.380 2.762 25 HB2 ASN 5 HB2 ASN 5 11.546 10.331 1.446 26 HB3 ASN 5 HB1 ASN 5 12.647 11.203 0.391 27 HD21 ASN 5 HD21 ASN 5 10.790 9.016 -0.173 28 HD22 ASN 5 HD22 ASN 5 11.738 7.747 -0.869 29 H CYS 6 HN CYS 6 12.368 10.372 4.429 30 HA CYS 6 HA CYS 6 13.030 7.535 4.861 31 HB2 CYS 6 HB2 CYS 6 12.656 9.691 6.952 32 HB3 CYS 6 HB1 CYS 6 13.027 7.997 7.273 33 H ALA 7 HN ALA 7 10.590 9.860 4.517 34 HA ALA 7 HA ALA 7 8.556 7.860 5.086 35 HB1 ALA 7 HB1 ALA 7 7.218 9.382 6.433 36 HB2 ALA 7 HB2 ALA 7 8.470 10.617 6.307 37 HB3 ALA 7 HB3 ALA 7 8.793 9.123 7.184 38 H ALA 8 HN ALA 8 6.664 8.156 3.925 39 HA ALA 8 HA ALA 8 6.657 10.393 2.017 40 HB1 ALA 8 HB1 ALA 8 5.978 8.917 0.222 41 HB2 ALA 8 HB2 ALA 8 6.030 7.532 1.311 42 HB3 ALA 8 HB3 ALA 8 7.518 8.382 0.896 43 H THR 9 HN THR 9 4.697 11.276 1.583 44 HA THR 9 HA THR 9 2.416 10.198 3.088 45 HB THR 9 HB THR 9 2.687 12.965 1.899 46 HG1 THR 9 HG1 THR 9 3.920 11.930 4.044 47 HG21 THR 9 HG21 THR 9 0.824 11.861 4.007 48 HG22 THR 9 HG22 THR 9 0.386 12.221 2.337 49 HG23 THR 9 HG23 THR 9 0.860 13.525 3.425 50 H VAL 10 HN VAL 10 0.860 9.223 1.982 51 HA VAL 10 HA VAL 10 0.504 9.926 -0.860 52 HB VAL 10 HB VAL 10 0.086 7.203 0.396 53 HG11 VAL 10 HG11 VAL 10 -1.497 7.640 -1.397 54 HG12 VAL 10 HG12 VAL 10 -0.306 6.444 -1.908 55 HG13 VAL 10 HG13 VAL 10 -0.179 8.110 -2.470 56 HG21 VAL 10 HG21 VAL 10 2.195 8.105 -1.567 57 HG22 VAL 10 HG22 VAL 10 1.980 6.469 -0.942 58 HG23 VAL 10 HG23 VAL 10 2.464 7.771 0.144 59 H GLU 11 HN GLU 11 -1.489 10.567 -1.391 60 HA GLU 11 HA GLU 11 -3.630 10.112 0.567 61 HB2 GLU 11 HB2 GLU 11 -3.442 12.319 -1.495 62 HB3 GLU 11 HB1 GLU 11 -4.706 12.127 -0.290 63 HG2 GLU 11 HG2 GLU 11 -3.078 12.482 1.493 64 HG3 GLU 11 HG1 GLU 11 -1.800 12.667 0.292 65 H SER 12 HN SER 12 -5.538 9.269 -0.113 66 HA SER 12 HA SER 12 -5.772 8.608 -2.971 67 HB2 SER 12 HB2 SER 12 -7.122 6.596 -2.130 68 HB3 SER 12 HB1 SER 12 -5.384 6.535 -1.857 69 HG SER 12 HG SER 12 -6.332 5.983 0.056 70 H ASN 13 HN ASN 13 -7.748 9.071 -3.919 71 HA ASN 13 HA ASN 13 -9.485 10.712 -2.189 72 HB2 ASN 13 HB2 ASN 13 -9.943 12.065 -4.251 73 HB3 ASN 13 HB1 ASN 13 -8.270 12.131 -3.707 74 HD21 ASN 13 HD21 ASN 13 -7.565 12.743 -5.745 75 HD22 ASN 13 HD22 ASN 13 -7.467 11.620 -7.057 76 H ASP 14 HN ASP 14 -11.542 11.257 -3.838 77 HA ASP 14 HA ASP 14 -12.979 8.745 -3.827 78 HB2 ASP 14 HB2 ASP 14 -14.952 10.120 -4.271 79 HB3 ASP 14 HB1 ASP 14 -14.017 10.803 -2.943 80 H ASN 15 HN ASN 15 -10.932 9.956 -5.984 81 HA ASN 15 HA ASN 15 -12.550 9.379 -8.359 82 HB2 ASN 15 HB2 ASN 15 -9.810 10.603 -8.014 83 HB3 ASN 15 HB1 ASN 15 -10.410 10.083 -9.581 84 HD21 ASN 15 HD21 ASN 15 -12.503 11.491 -7.154 85 HD22 ASN 15 HD22 ASN 15 -12.768 12.984 -7.985 86 H MET 16 HN MET 16 -11.058 7.656 -6.178 87 HA MET 16 HA MET 16 -10.199 5.576 -6.020 88 HB2 MET 16 HB2 MET 16 -11.328 5.365 -8.815 89 HB3 MET 16 HB1 MET 16 -10.699 3.998 -7.905 90 HG2 MET 16 HG2 MET 16 -12.385 4.381 -6.175 91 HG3 MET 16 HG1 MET 16 -13.022 5.736 -7.105 92 HE1 MET 16 HE1 MET 16 -15.804 2.997 -7.459 93 HE2 MET 16 HE2 MET 16 -15.472 4.677 -7.038 94 HE3 MET 16 HE3 MET 16 -14.811 3.374 -6.052 95 H GLN 17 HN GLN 17 -8.273 7.305 -6.341 96 HA GLN 17 HA GLN 17 -6.268 5.799 -7.764 97 HB2 GLN 17 HB2 GLN 17 -5.440 7.790 -9.017 98 HB3 GLN 17 HB1 GLN 17 -7.010 7.225 -9.563 99 HG2 GLN 17 HG2 GLN 17 -8.090 9.000 -8.275 100 HG3 GLN 17 HG1 GLN 17 -6.503 9.573 -7.758 101 HE21 GLN 17 HE21 GLN 17 -8.694 9.238 -10.442 102 HE22 GLN 17 HE22 GLN 17 -7.907 10.376 -11.481 103 H PHE 18 HN PHE 18 -4.143 6.346 -7.149 104 HA PHE 18 HA PHE 18 -3.946 7.747 -4.598 105 HB2 PHE 18 HB2 PHE 18 -1.918 6.133 -6.167 106 HB3 PHE 18 HB1 PHE 18 -1.579 6.912 -4.631 107 HD1 PHE 18 HD2 PHE 18 -3.513 6.291 -2.791 108 HD2 PHE 18 HD1 PHE 18 -2.245 3.876 -6.058 109 HE1 PHE 18 HE2 PHE 18 -4.327 4.292 -1.618 110 HE2 PHE 18 HE1 PHE 18 -3.063 1.870 -4.894 111 HZ PHE 18 HZ PHE 18 -3.972 2.057 -2.616 112 H ASN 19 HN ASN 19 -2.386 9.399 -4.248 113 HA ASN 19 HA ASN 19 -2.185 11.387 -6.207 114 HB2 ASN 19 HB2 ASN 19 -0.721 10.916 -3.625 115 HB3 ASN 19 HB1 ASN 19 -0.291 12.263 -4.674 116 HD21 ASN 19 HD21 ASN 19 -0.879 13.684 -3.016 117 HD22 ASN 19 HD22 ASN 19 -2.540 14.033 -2.666 118 H THR 20 HN THR 20 -0.283 8.558 -5.779 119 HA THR 20 HA THR 20 1.614 9.548 -7.769 120 HB THR 20 HB THR 20 2.691 9.897 -5.600 121 HG1 THR 20 HG1 THR 20 4.589 8.758 -6.091 122 HG21 THR 20 HG21 THR 20 1.526 8.192 -4.299 123 HG22 THR 20 HG22 THR 20 3.273 7.993 -4.168 124 HG23 THR 20 HG23 THR 20 2.340 6.923 -5.214 125 H LYS 21 HN LYS 21 2.861 7.872 -8.782 126 HA LYS 21 HA LYS 21 1.495 5.263 -8.842 127 HB2 LYS 21 HB2 LYS 21 2.520 7.060 -10.965 128 HB3 LYS 21 HB1 LYS 21 2.801 5.339 -11.204 129 HG2 LYS 21 HG2 LYS 21 0.081 6.422 -10.555 130 HG3 LYS 21 HG1 LYS 21 0.689 6.341 -12.212 131 HD2 LYS 21 HD2 LYS 21 1.030 3.935 -11.973 132 HD3 LYS 21 HD1 LYS 21 0.455 4.010 -10.308 133 HE2 LYS 21 HE2 LYS 21 -1.734 4.712 -11.064 134 HE3 LYS 21 HE1 LYS 21 -1.174 4.754 -12.733 135 HZ1 LYS 21 HZ1 LYS 21 -2.424 2.724 -12.145 136 HZ2 LYS 21 HZ2 LYS 21 -1.198 2.311 -11.052 137 HZ3 LYS 21 HZ3 LYS 21 -0.860 2.405 -12.707 138 H ASP 22 HN ASP 22 4.258 6.822 -7.894 139 HA ASP 22 HA ASP 22 5.786 4.337 -7.877 140 HB2 ASP 22 HB2 ASP 22 7.784 5.346 -8.787 141 HB3 ASP 22 HB1 ASP 22 6.467 5.602 -9.926 142 H ILE 23 HN ILE 23 6.915 4.049 -6.048 143 HA ILE 23 HA ILE 23 7.435 6.390 -4.335 144 HB ILE 23 HB ILE 23 6.425 3.677 -3.456 145 HG12 ILE 23 HG12 ILE 23 5.350 6.458 -2.912 146 HG13 ILE 23 HG11 ILE 23 4.746 5.398 -4.183 147 HG21 ILE 23 HG21 ILE 23 8.260 4.382 -1.997 148 HG22 ILE 23 HG22 ILE 23 6.714 4.424 -1.151 149 HG23 ILE 23 HG23 ILE 23 7.450 5.924 -1.717 150 HD11 ILE 23 HD11 ILE 23 3.294 5.303 -2.268 151 HD12 ILE 23 HD12 ILE 23 4.648 4.893 -1.218 152 HD13 ILE 23 HD13 ILE 23 4.115 3.753 -2.453 153 H GLN 24 HN GLN 24 9.483 6.559 -3.671 154 HA GLN 24 HA GLN 24 11.273 4.299 -4.251 155 HB2 GLN 24 HB2 GLN 24 11.898 7.248 -4.048 156 HB3 GLN 24 HB1 GLN 24 13.082 5.980 -4.347 157 HG2 GLN 24 HG2 GLN 24 11.979 5.417 -6.438 158 HG3 GLN 24 HG1 GLN 24 10.755 6.651 -6.140 159 HE21 GLN 24 HE21 GLN 24 12.576 6.421 -8.379 160 HE22 GLN 24 HE22 GLN 24 13.512 7.873 -8.397 161 H VAL 25 HN VAL 25 12.189 3.295 -2.617 162 HA VAL 25 HA VAL 25 11.998 4.513 0.052 163 HB VAL 25 HB VAL 25 12.421 1.617 -0.715 164 HG11 VAL 25 HG11 VAL 25 11.983 2.839 2.010 165 HG12 VAL 25 HG12 VAL 25 13.518 2.217 1.407 166 HG13 VAL 25 HG13 VAL 25 12.157 1.121 1.652 167 HG21 VAL 25 HG21 VAL 25 10.014 3.019 0.442 168 HG22 VAL 25 HG22 VAL 25 10.155 1.286 0.152 169 HG23 VAL 25 HG23 VAL 25 10.168 2.411 -1.206 170 H SER 26 HN SER 26 13.771 5.384 0.826 171 HA SER 26 HA SER 26 16.336 4.953 -0.352 172 HB2 SER 26 HB2 SER 26 15.696 7.147 0.560 173 HB3 SER 26 HB1 SER 26 15.545 6.441 2.167 174 HG SER 26 HG SER 26 17.541 7.355 2.068 175 H LYS 27 HN LYS 27 17.762 3.433 0.135 176 HA LYS 27 HA LYS 27 17.341 1.643 2.339 177 HB2 LYS 27 HB2 LYS 27 19.357 0.511 1.588 178 HB3 LYS 27 HB1 LYS 27 18.326 0.872 0.212 179 HG2 LYS 27 HG2 LYS 27 19.722 2.685 -0.448 180 HG3 LYS 27 HG1 LYS 27 20.676 2.554 1.028 181 HD2 LYS 27 HD2 LYS 27 21.878 1.561 -0.819 182 HD3 LYS 27 HD1 LYS 27 21.405 0.309 0.326 183 HE2 LYS 27 HE2 LYS 27 19.514 -0.284 -1.108 184 HE3 LYS 27 HE1 LYS 27 19.987 0.973 -2.252 185 HZ1 LYS 27 HZ1 LYS 27 21.586 -1.421 -1.521 186 HZ2 LYS 27 HZ2 LYS 27 22.099 -0.194 -2.563 187 HZ3 LYS 27 HZ3 LYS 27 20.780 -1.162 -2.986 188 H ALA 28 HN ALA 28 18.733 4.671 2.051 189 HA ALA 28 HA ALA 28 20.767 4.435 4.056 190 HB1 ALA 28 HB1 ALA 28 20.812 6.884 4.000 191 HB2 ALA 28 HB2 ALA 28 19.363 6.888 2.995 192 HB3 ALA 28 HB3 ALA 28 20.864 6.203 2.375 193 H CYS 29 HN CYS 29 17.525 4.160 4.220 194 HA CYS 29 HA CYS 29 17.368 5.281 6.934 195 HB2 CYS 29 HB2 CYS 29 15.157 4.594 4.982 196 HB3 CYS 29 HB1 CYS 29 14.917 5.254 6.598 197 H LYS 30 HN LYS 30 16.899 3.944 8.599 198 HA LYS 30 HA LYS 30 17.108 1.116 8.205 199 HB2 LYS 30 HB2 LYS 30 18.013 2.230 10.205 200 HB3 LYS 30 HB1 LYS 30 16.390 2.716 10.672 201 HG2 LYS 30 HG2 LYS 30 15.763 0.381 10.961 202 HG3 LYS 30 HG1 LYS 30 17.384 -0.118 10.471 203 HD2 LYS 30 HD2 LYS 30 18.329 1.096 12.373 204 HD3 LYS 30 HD1 LYS 30 16.708 1.587 12.864 205 HE2 LYS 30 HE2 LYS 30 17.507 -0.323 14.171 206 HE3 LYS 30 HE1 LYS 30 16.088 -0.737 13.212 207 HZ1 LYS 30 HZ1 LYS 30 17.522 -1.792 11.592 208 HZ2 LYS 30 HZ2 LYS 30 17.780 -2.463 13.121 209 HZ3 LYS 30 HZ3 LYS 30 18.898 -1.369 12.481 210 H GLU 31 HN GLU 31 14.552 3.417 8.738 211 HA GLU 31 HA GLU 31 12.584 1.317 8.175 212 HB2 GLU 31 HB2 GLU 31 12.389 3.441 10.319 213 HB3 GLU 31 HB1 GLU 31 11.021 2.495 9.758 214 HG2 GLU 31 HG2 GLU 31 12.041 0.465 10.549 215 HG3 GLU 31 HG1 GLU 31 13.501 1.343 11.008 216 H PHE 32 HN PHE 32 10.997 1.928 6.761 217 HA PHE 32 HA PHE 32 10.972 4.772 5.985 218 HB2 PHE 32 HB2 PHE 32 11.804 3.101 4.237 219 HB3 PHE 32 HB1 PHE 32 10.153 2.486 4.190 220 HD1 PHE 32 HD2 PHE 32 12.237 5.474 3.605 221 HD2 PHE 32 HD1 PHE 32 8.473 3.599 2.960 222 HE1 PHE 32 HE2 PHE 32 11.651 7.221 1.978 223 HE2 PHE 32 HE1 PHE 32 7.882 5.344 1.330 224 HZ PHE 32 HZ PHE 32 9.472 7.158 0.839 225 H THR 33 HN THR 33 9.127 5.801 6.333 226 HA THR 33 HA THR 33 6.797 4.179 7.107 227 HB THR 33 HB THR 33 7.399 7.045 7.865 228 HG1 THR 33 HG1 THR 33 7.570 4.808 9.602 229 HG21 THR 33 HG21 THR 33 5.016 6.476 7.931 230 HG22 THR 33 HG22 THR 33 5.656 6.704 9.559 231 HG23 THR 33 HG23 THR 33 5.374 5.075 8.943 232 H ILE 34 HN ILE 34 4.949 4.371 6.018 233 HA ILE 34 HA ILE 34 4.689 6.604 4.114 234 HB ILE 34 HB ILE 34 3.630 3.788 3.797 235 HG12 ILE 34 HG12 ILE 34 5.745 5.305 2.251 236 HG13 ILE 34 HG11 ILE 34 6.044 3.979 3.367 237 HG21 ILE 34 HG21 ILE 34 3.346 6.182 1.979 238 HG22 ILE 34 HG22 ILE 34 2.061 5.428 2.920 239 HG23 ILE 34 HG23 ILE 34 2.825 4.539 1.602 240 HD11 ILE 34 HD11 ILE 34 6.174 3.223 1.074 241 HD12 ILE 34 HD12 ILE 34 4.537 3.803 0.769 242 HD13 ILE 34 HD13 ILE 34 4.803 2.473 1.893 243 H THR 35 HN THR 35 3.060 7.913 4.551 244 HA THR 35 HA THR 35 0.910 6.945 6.303 245 HB THR 35 HB THR 35 1.765 9.783 5.689 246 HG1 THR 35 HG1 THR 35 2.128 8.061 7.928 247 HG21 THR 35 HG21 THR 35 -0.645 9.637 6.131 248 HG22 THR 35 HG22 THR 35 0.198 10.437 7.458 249 HG23 THR 35 HG23 THR 35 -0.319 8.759 7.627 250 H LEU 36 HN LEU 36 -0.964 6.508 5.388 251 HA LEU 36 HA LEU 36 -1.597 7.719 2.782 252 HB2 LEU 36 HB2 LEU 36 -1.504 5.262 2.817 253 HB3 LEU 36 HB1 LEU 36 -2.691 5.231 4.104 254 HG LEU 36 HG LEU 36 -4.280 6.387 2.467 255 HD11 LEU 36 HD11 LEU 36 -3.791 6.027 0.093 256 HD12 LEU 36 HD12 LEU 36 -2.173 5.476 0.521 257 HD13 LEU 36 HD13 LEU 36 -2.654 7.140 0.851 258 HD21 LEU 36 HD21 LEU 36 -3.324 3.580 1.912 259 HD22 LEU 36 HD22 LEU 36 -4.847 4.261 1.346 260 HD23 LEU 36 HD23 LEU 36 -4.559 4.062 3.075 261 H LYS 37 HN LYS 37 -3.237 9.131 2.671 262 HA LYS 37 HA LYS 37 -5.249 9.038 4.806 263 HB2 LYS 37 HB2 LYS 37 -3.660 10.940 5.165 264 HB3 LYS 37 HB1 LYS 37 -4.175 11.599 3.614 265 HG2 LYS 37 HG2 LYS 37 -6.291 12.136 4.394 266 HG3 LYS 37 HG1 LYS 37 -6.189 11.005 5.746 267 HD2 LYS 37 HD2 LYS 37 -4.474 12.423 6.783 268 HD3 LYS 37 HD1 LYS 37 -4.613 13.560 5.442 269 HE2 LYS 37 HE2 LYS 37 -6.877 12.803 7.285 270 HE3 LYS 37 HE1 LYS 37 -5.874 14.239 7.479 271 HZ1 LYS 37 HZ1 LYS 37 -7.912 14.789 6.349 272 HZ2 LYS 37 HZ2 LYS 37 -7.624 13.623 5.162 273 HZ3 LYS 37 HZ3 LYS 37 -6.617 14.973 5.278 274 H HIS 38 HN HIS 38 -7.262 8.990 4.145 275 HA HIS 38 HA HIS 38 -7.718 8.932 1.275 276 HB2 HIS 38 HB2 HIS 38 -8.602 7.118 2.692 277 HB3 HIS 38 HB1 HIS 38 -9.577 8.282 3.583 278 HD1 HIS 38 HD1 HIS 38 -9.734 9.126 0.059 279 HD2 HIS 38 HD2 HIS 38 -11.589 6.368 2.554 280 HE1 HIS 38 HE1 HIS 38 -11.851 8.447 -1.125 281 HE2 HIS 38 HE2 HIS 38 -12.790 6.576 0.287 282 H THR 39 HN THR 39 -7.884 10.905 0.449 283 HA THR 39 HA THR 39 -9.251 13.060 1.768 284 HB THR 39 HB THR 39 -8.829 14.191 -0.509 285 HG1 THR 39 HG1 THR 39 -6.995 12.980 -1.576 286 HG21 THR 39 HG21 THR 39 -7.443 14.587 1.468 287 HG22 THR 39 HG22 THR 39 -6.453 14.530 0.010 288 HG23 THR 39 HG23 THR 39 -6.496 13.145 1.101 289 H GLY 40 HN GLY 40 -11.074 11.225 1.740 290 HA2 GLY 40 HA2 GLY 40 -13.072 12.207 -0.115 291 HA3 GLY 40 HA1 GLY 40 -12.684 10.494 -0.262 292 H THR 41 HN THR 41 -14.996 12.304 0.884 293 HA THR 41 HA THR 41 -15.107 11.430 3.635 294 HB THR 41 HB THR 41 -15.903 13.675 3.041 295 HG1 THR 41 HG1 THR 41 -17.135 13.359 4.719 296 HG21 THR 41 HG21 THR 41 -17.989 12.193 1.445 297 HG22 THR 41 HG22 THR 41 -16.774 13.312 0.831 298 HG23 THR 41 HG23 THR 41 -18.081 13.903 1.855 299 H GLN 42 HN GLN 42 -15.461 9.720 1.019 300 HA GLN 42 HA GLN 42 -18.048 8.546 1.445 301 HB2 GLN 42 HB2 GLN 42 -15.765 7.791 -0.380 302 HB3 GLN 42 HB1 GLN 42 -17.283 6.906 -0.307 303 HG2 GLN 42 HG2 GLN 42 -16.860 9.757 -1.170 304 HG3 GLN 42 HG1 GLN 42 -17.407 8.398 -2.152 305 HE21 GLN 42 HE21 GLN 42 -19.531 7.683 -1.953 306 HE22 GLN 42 HE22 GLN 42 -20.748 8.626 -1.162 307 HA PRO 43 HA PRO 43 -16.860 5.880 4.698 308 HB2 PRO 43 HB2 PRO 43 -18.932 4.114 4.496 309 HB3 PRO 43 HB1 PRO 43 -19.088 5.725 5.199 310 HG2 PRO 43 HG2 PRO 43 -19.786 4.779 2.448 311 HG3 PRO 43 HG1 PRO 43 -20.701 5.849 3.531 312 HD2 PRO 43 HD2 PRO 43 -19.225 6.801 1.486 313 HD3 PRO 43 HD1 PRO 43 -19.388 7.690 3.018 314 H LYS 44 HN LYS 44 -16.245 3.688 5.147 315 HA LYS 44 HA LYS 44 -14.556 2.748 3.061 316 HB2 LYS 44 HB2 LYS 44 -13.779 1.093 4.703 317 HB3 LYS 44 HB1 LYS 44 -13.814 2.714 5.379 318 HG2 LYS 44 HG2 LYS 44 -15.973 2.157 6.468 319 HG3 LYS 44 HG1 LYS 44 -15.804 0.508 5.867 320 HD2 LYS 44 HD2 LYS 44 -13.773 0.211 7.131 321 HD3 LYS 44 HD1 LYS 44 -13.796 1.901 7.633 322 HE2 LYS 44 HE2 LYS 44 -14.594 0.507 9.433 323 HE3 LYS 44 HE1 LYS 44 -15.914 1.495 8.817 324 HZ1 LYS 44 HZ1 LYS 44 -16.585 -0.804 9.225 325 HZ2 LYS 44 HZ2 LYS 44 -15.445 -1.348 8.104 326 HZ3 LYS 44 HZ3 LYS 44 -16.743 -0.394 7.595 327 H ALA 45 HN ALA 45 -17.719 1.897 4.029 328 HA ALA 45 HA ALA 45 -17.702 -0.727 2.861 329 HB1 ALA 45 HB1 ALA 45 -19.258 -0.117 4.666 330 HB2 ALA 45 HB2 ALA 45 -20.101 -0.696 3.230 331 HB3 ALA 45 HB3 ALA 45 -20.045 1.031 3.583 332 H SER 46 HN SER 46 -17.990 2.473 1.693 333 HA SER 46 HA SER 46 -19.275 1.561 -0.785 334 HB2 SER 46 HB2 SER 46 -18.899 4.392 0.224 335 HB3 SER 46 HB1 SER 46 -19.832 3.898 -1.189 336 HG SER 46 HG SER 46 -21.435 3.744 0.149 337 H MET 47 HN MET 47 -16.581 3.535 0.426 338 HA MET 47 HA MET 47 -14.965 2.734 -1.842 339 HB2 MET 47 HB2 MET 47 -16.116 4.733 -2.696 340 HB3 MET 47 HB1 MET 47 -15.563 5.655 -1.305 341 HG2 MET 47 HG2 MET 47 -13.206 5.179 -2.056 342 HG3 MET 47 HG1 MET 47 -13.897 4.503 -3.534 343 HE1 MET 47 HE1 MET 47 -15.272 5.886 -5.286 344 HE2 MET 47 HE2 MET 47 -15.634 7.605 -5.135 345 HE3 MET 47 HE3 MET 47 -16.388 6.445 -4.042 346 H GLY 48 HN GLY 48 -13.913 1.692 -0.064 347 HA2 GLY 48 HA2 GLY 48 -12.413 3.485 1.714 348 HA3 GLY 48 HA1 GLY 48 -12.613 1.750 1.934 349 H HIS 49 HN HIS 49 -10.113 3.090 2.025 350 HA HIS 49 HA HIS 49 -8.864 1.841 -0.323 351 HB2 HIS 49 HB2 HIS 49 -8.131 4.544 0.821 352 HB3 HIS 49 HB1 HIS 49 -7.167 3.677 -0.369 353 HD2 HIS 49 HD2 HIS 49 -9.399 6.497 -0.409 354 HE1 HIS 49 HE1 HIS 49 -10.346 4.449 -3.985 355 HE2 HIS 49 HE2 HIS 49 -10.334 6.696 -2.825 356 H ASN 50 HN ASN 50 -6.794 1.048 -0.047 357 HA ASN 50 HA ASN 50 -5.536 1.102 2.575 358 HB2 ASN 50 HB2 ASN 50 -7.078 -0.782 2.797 359 HB3 ASN 50 HB1 ASN 50 -6.536 -1.442 1.259 360 HD21 ASN 50 HD21 ASN 50 -5.916 -3.373 2.122 361 HD22 ASN 50 HD22 ASN 50 -4.543 -3.542 3.157 362 H LEU 51 HN LEU 51 -3.311 0.931 2.358 363 HA LEU 51 HA LEU 51 -2.359 0.399 -0.378 364 HB2 LEU 51 HB2 LEU 51 -2.047 2.734 0.505 365 HB3 LEU 51 HB1 LEU 51 -0.977 2.069 1.728 366 HG LEU 51 HG LEU 51 -0.382 1.595 -1.174 367 HD11 LEU 51 HD11 LEU 51 0.316 4.085 0.379 368 HD12 LEU 51 HD12 LEU 51 -0.766 3.992 -1.011 369 HD13 LEU 51 HD13 LEU 51 0.953 3.652 -1.207 370 HD21 LEU 51 HD21 LEU 51 0.921 0.419 0.561 371 HD22 LEU 51 HD22 LEU 51 1.390 1.977 1.243 372 HD23 LEU 51 HD23 LEU 51 1.913 1.532 -0.381 373 H VAL 52 HN VAL 52 -1.445 -1.500 -0.568 374 HA VAL 52 HA VAL 52 0.112 -2.558 1.697 375 HB VAL 52 HB VAL 52 -0.294 -4.799 0.863 376 HG11 VAL 52 HG11 VAL 52 -1.952 -3.851 2.380 377 HG12 VAL 52 HG12 VAL 52 -2.700 -4.965 1.239 378 HG13 VAL 52 HG13 VAL 52 -2.861 -3.225 1.007 379 HG21 VAL 52 HG21 VAL 52 -0.345 -4.304 -1.530 380 HG22 VAL 52 HG22 VAL 52 -1.905 -3.505 -1.337 381 HG23 VAL 52 HG23 VAL 52 -1.758 -5.237 -1.041 382 H ILE 53 HN ILE 53 2.153 -3.377 1.322 383 HA ILE 53 HA ILE 53 3.227 -2.963 -1.389 384 HB ILE 53 HB ILE 53 4.633 -2.776 1.278 385 HG12 ILE 53 HG12 ILE 53 4.211 -0.771 -0.954 386 HG13 ILE 53 HG11 ILE 53 3.362 -0.785 0.591 387 HG21 ILE 53 HG21 ILE 53 5.836 -2.675 -1.491 388 HG22 ILE 53 HG22 ILE 53 6.079 -3.951 -0.298 389 HG23 ILE 53 HG23 ILE 53 6.692 -2.326 0.010 390 HD11 ILE 53 HD11 ILE 53 6.320 -0.374 0.226 391 HD12 ILE 53 HD12 ILE 53 5.436 -0.321 1.752 392 HD13 ILE 53 HD13 ILE 53 5.130 0.894 0.510 393 H ALA 54 HN ALA 54 3.637 -4.740 -2.449 394 HA ALA 54 HA ALA 54 4.615 -7.106 -1.058 395 HB1 ALA 54 HB1 ALA 54 2.136 -7.182 -2.775 396 HB2 ALA 54 HB2 ALA 54 2.167 -7.321 -1.018 397 HB3 ALA 54 HB3 ALA 54 2.923 -8.565 -2.014 398 H LYS 55 HN LYS 55 4.968 -8.897 -2.769 399 HA LYS 55 HA LYS 55 6.870 -7.842 -4.601 400 HB2 LYS 55 HB2 LYS 55 6.780 -10.103 -3.283 401 HB3 LYS 55 HB1 LYS 55 5.865 -10.668 -4.671 402 HG2 LYS 55 HG2 LYS 55 7.706 -10.266 -6.135 403 HG3 LYS 55 HG1 LYS 55 8.616 -9.462 -4.853 404 HD2 LYS 55 HD2 LYS 55 8.638 -11.565 -3.576 405 HD3 LYS 55 HD1 LYS 55 7.775 -12.364 -4.895 406 HE2 LYS 55 HE2 LYS 55 10.151 -12.858 -5.016 407 HE3 LYS 55 HE1 LYS 55 9.659 -11.879 -6.396 408 HZ1 LYS 55 HZ1 LYS 55 11.767 -11.163 -5.382 409 HZ2 LYS 55 HZ2 LYS 55 10.948 -10.792 -3.954 410 HZ3 LYS 55 HZ3 LYS 55 10.593 -9.950 -5.378 411 H ALA 56 HN ALA 56 6.801 -7.731 -6.837 412 HA ALA 56 HA ALA 56 4.520 -6.786 -7.992 413 HB1 ALA 56 HB1 ALA 56 6.785 -6.493 -8.889 414 HB2 ALA 56 HB2 ALA 56 5.625 -6.973 -10.128 415 HB3 ALA 56 HB3 ALA 56 6.754 -8.157 -9.471 416 H GLU 57 HN GLU 57 5.792 -10.074 -8.593 417 HA GLU 57 HA GLU 57 3.393 -10.725 -10.079 418 HB2 GLU 57 HB2 GLU 57 5.843 -12.371 -9.449 419 HB3 GLU 57 HB1 GLU 57 4.514 -12.909 -10.466 420 HG2 GLU 57 HG2 GLU 57 4.973 -10.928 -11.932 421 HG3 GLU 57 HG1 GLU 57 6.438 -10.664 -10.991 422 H ASP 58 HN ASP 58 3.995 -10.622 -6.888 423 HA ASP 58 HA ASP 58 2.551 -13.106 -6.283 424 HB2 ASP 58 HB2 ASP 58 4.716 -12.461 -5.070 425 HB3 ASP 58 HB1 ASP 58 3.758 -11.226 -4.259 426 H MET 59 HN MET 59 2.015 -9.887 -6.841 427 HA MET 59 HA MET 59 0.172 -9.056 -4.954 428 HB2 MET 59 HB2 MET 59 0.665 -8.371 -7.803 429 HB3 MET 59 HB1 MET 59 -0.861 -7.852 -7.100 430 HG2 MET 59 HG2 MET 59 1.878 -7.210 -6.033 431 HG3 MET 59 HG1 MET 59 0.837 -6.118 -6.947 432 HE1 MET 59 HE1 MET 59 2.053 -5.236 -4.210 433 HE2 MET 59 HE2 MET 59 0.657 -4.550 -3.382 434 HE3 MET 59 HE3 MET 59 0.908 -4.233 -5.098 435 H ASP 60 HN ASP 60 -0.325 -11.165 -7.728 436 HA ASP 60 HA ASP 60 -3.103 -11.238 -7.779 437 HB2 ASP 60 HB2 ASP 60 -1.734 -12.339 -9.486 438 HB3 ASP 60 HB1 ASP 60 -1.180 -13.517 -8.299 439 H GLY 61 HN GLY 61 -0.845 -13.135 -5.814 440 HA2 GLY 61 HA2 GLY 61 -2.888 -14.644 -4.502 441 HA3 GLY 61 HA1 GLY 61 -1.203 -14.528 -4.015 442 H VAL 62 HN VAL 62 -1.257 -11.625 -3.904 443 HA VAL 62 HA VAL 62 -2.071 -11.304 -1.209 444 HB VAL 62 HB VAL 62 -1.310 -9.196 -3.245 445 HG11 VAL 62 HG11 VAL 62 -1.482 -9.015 -0.238 446 HG12 VAL 62 HG12 VAL 62 -2.570 -8.238 -1.388 447 HG13 VAL 62 HG13 VAL 62 -0.875 -7.755 -1.315 448 HG21 VAL 62 HG21 VAL 62 0.338 -10.548 -1.104 449 HG22 VAL 62 HG22 VAL 62 0.888 -9.259 -2.174 450 HG23 VAL 62 HG23 VAL 62 0.467 -10.837 -2.838 451 H PHE 63 HN PHE 63 -3.407 -10.090 -4.287 452 HA PHE 63 HA PHE 63 -5.645 -8.810 -3.119 453 HB2 PHE 63 HB2 PHE 63 -5.258 -9.909 -5.912 454 HB3 PHE 63 HB1 PHE 63 -6.664 -8.972 -5.412 455 HD1 PHE 63 HD1 PHE 63 -5.729 -6.769 -3.947 456 HD2 PHE 63 HD2 PHE 63 -3.863 -8.690 -7.256 457 HE1 PHE 63 HE1 PHE 63 -4.555 -4.680 -4.494 458 HE2 PHE 63 HE2 PHE 63 -2.686 -6.605 -7.806 459 HZ PHE 63 HZ PHE 63 -3.030 -4.598 -6.427 460 H LYS 64 HN LYS 64 -5.141 -12.082 -4.343 461 HA LYS 64 HA LYS 64 -7.784 -12.971 -4.287 462 HB2 LYS 64 HB2 LYS 64 -5.979 -14.234 -5.353 463 HB3 LYS 64 HB1 LYS 64 -5.241 -14.529 -3.786 464 HG2 LYS 64 HG2 LYS 64 -7.136 -15.870 -3.107 465 HG3 LYS 64 HG1 LYS 64 -7.954 -15.525 -4.631 466 HD2 LYS 64 HD2 LYS 64 -6.977 -17.701 -4.794 467 HD3 LYS 64 HD1 LYS 64 -6.047 -16.610 -5.819 468 HE2 LYS 64 HE2 LYS 64 -4.551 -18.061 -4.597 469 HE3 LYS 64 HE1 LYS 64 -4.365 -16.404 -4.032 470 HZ1 LYS 64 HZ1 LYS 64 -4.526 -18.298 -2.323 471 HZ2 LYS 64 HZ2 LYS 64 -6.188 -18.245 -2.627 472 HZ3 LYS 64 HZ3 LYS 64 -5.388 -16.873 -2.035 473 H ASP 65 HN ASP 65 -5.268 -13.359 -1.793 474 HA ASP 65 HA ASP 65 -7.161 -14.403 0.098 475 HB2 ASP 65 HB2 ASP 65 -4.258 -13.634 0.288 476 HB3 ASP 65 HB1 ASP 65 -5.184 -14.116 1.705 477 H GLY 66 HN GLY 66 -6.223 -11.302 -0.881 478 HA2 GLY 66 HA2 GLY 66 -6.725 -9.945 1.597 479 HA3 GLY 66 HA1 GLY 66 -6.533 -9.196 0.016 480 H VAL 67 HN VAL 67 -8.522 -10.283 -1.457 481 HA VAL 67 HA VAL 67 -10.844 -8.940 -0.595 482 HB VAL 67 HB VAL 67 -10.530 -11.097 -2.694 483 HG11 VAL 67 HG11 VAL 67 -12.847 -9.230 -2.190 484 HG12 VAL 67 HG12 VAL 67 -12.852 -10.982 -2.001 485 HG13 VAL 67 HG13 VAL 67 -12.668 -10.268 -3.603 486 HG21 VAL 67 HG21 VAL 67 -9.221 -9.107 -3.167 487 HG22 VAL 67 HG22 VAL 67 -10.640 -8.091 -2.913 488 HG23 VAL 67 HG23 VAL 67 -10.590 -9.212 -4.273 489 H GLY 68 HN GLY 68 -9.719 -12.222 -0.240 490 HA2 GLY 68 HA2 GLY 68 -12.189 -13.142 0.955 491 HA3 GLY 68 HA1 GLY 68 -10.698 -14.063 0.796 492 H ALA 69 HN ALA 69 -10.306 -10.945 2.124 493 HA ALA 69 HA ALA 69 -10.502 -11.963 4.873 494 HB1 ALA 69 HB1 ALA 69 -8.399 -10.937 5.472 495 HB2 ALA 69 HB2 ALA 69 -8.197 -10.320 3.833 496 HB3 ALA 69 HB3 ALA 69 -8.142 -12.056 4.133 497 H ALA 70 HN ALA 70 -12.444 -10.500 3.640 498 HA ALA 70 HA ALA 70 -12.255 -7.715 3.778 499 HB1 ALA 70 HB1 ALA 70 -14.680 -7.709 3.718 500 HB2 ALA 70 HB2 ALA 70 -14.714 -9.416 4.156 501 HB3 ALA 70 HB3 ALA 70 -14.045 -8.917 2.602 502 H ASP 71 HN ASP 71 -12.850 -10.087 6.258 503 HA ASP 71 HA ASP 71 -13.972 -8.271 8.155 504 HB2 ASP 71 HB2 ASP 71 -14.415 -10.704 8.196 505 HB3 ASP 71 HB1 ASP 71 -12.730 -10.990 8.616 506 H THR 72 HN THR 72 -10.823 -8.717 7.059 507 HA THR 72 HA THR 72 -9.792 -7.319 9.414 508 HB THR 72 HB THR 72 -9.112 -9.548 9.846 509 HG1 THR 72 HG1 THR 72 -6.961 -8.101 8.660 510 HG21 THR 72 HG21 THR 72 -7.868 -10.928 8.250 511 HG22 THR 72 HG22 THR 72 -8.039 -9.667 7.030 512 HG23 THR 72 HG23 THR 72 -9.465 -10.509 7.633 513 H ASP 73 HN ASP 73 -10.415 -5.803 7.450 514 HA ASP 73 HA ASP 73 -9.608 -4.044 6.272 515 HB2 ASP 73 HB2 ASP 73 -7.004 -4.992 7.459 516 HB3 ASP 73 HB1 ASP 73 -7.153 -3.518 6.511 517 H TYR 74 HN TYR 74 -9.598 -6.851 5.090 518 HA TYR 74 HA TYR 74 -9.159 -7.819 3.094 519 HB2 TYR 74 HB2 TYR 74 -8.483 -4.976 2.318 520 HB3 TYR 74 HB1 TYR 74 -8.549 -6.312 1.170 521 HD1 TYR 74 HD1 TYR 74 -10.807 -7.657 1.169 522 HD2 TYR 74 HD2 TYR 74 -10.372 -3.702 2.663 523 HE1 TYR 74 HE1 TYR 74 -13.221 -7.295 0.890 524 HE2 TYR 74 HE2 TYR 74 -12.787 -3.327 2.389 525 HH TYR 74 HH TYR 74 -14.651 -4.256 1.003 526 H VAL 75 HN VAL 75 -7.100 -7.709 5.118 527 HA VAL 75 HA VAL 75 -4.850 -8.359 3.345 528 HB VAL 75 HB VAL 75 -3.236 -7.660 5.049 529 HG11 VAL 75 HG11 VAL 75 -3.503 -5.225 4.864 530 HG12 VAL 75 HG12 VAL 75 -5.155 -5.464 4.298 531 HG13 VAL 75 HG13 VAL 75 -3.800 -6.051 3.335 532 HG21 VAL 75 HG21 VAL 75 -5.581 -6.545 6.579 533 HG22 VAL 75 HG22 VAL 75 -3.879 -6.398 7.012 534 HG23 VAL 75 HG23 VAL 75 -4.658 -7.979 7.026 535 H LYS 76 HN LYS 76 -3.818 -10.277 3.828 536 HA LYS 76 HA LYS 76 -5.260 -12.029 5.617 537 HB2 LYS 76 HB2 LYS 76 -4.475 -12.780 3.367 538 HB3 LYS 76 HB1 LYS 76 -2.818 -12.640 3.944 539 HG2 LYS 76 HG2 LYS 76 -3.260 -14.328 5.648 540 HG3 LYS 76 HG1 LYS 76 -4.926 -14.464 5.083 541 HD2 LYS 76 HD2 LYS 76 -4.044 -15.123 2.851 542 HD3 LYS 76 HD1 LYS 76 -2.424 -15.134 3.544 543 HE2 LYS 76 HE2 LYS 76 -3.019 -16.893 5.058 544 HE3 LYS 76 HE1 LYS 76 -4.714 -16.790 4.584 545 HZ1 LYS 76 HZ1 LYS 76 -4.064 -17.473 2.339 546 HZ2 LYS 76 HZ2 LYS 76 -3.667 -18.644 3.499 547 HZ3 LYS 76 HZ3 LYS 76 -2.459 -17.651 2.857 548 HA PRO 77 HA PRO 77 -2.464 -11.185 9.059 549 HB2 PRO 77 HB2 PRO 77 -3.901 -13.603 10.043 550 HB3 PRO 77 HB1 PRO 77 -3.619 -12.057 10.857 551 HG2 PRO 77 HG2 PRO 77 -6.025 -12.639 9.887 552 HG3 PRO 77 HG1 PRO 77 -5.364 -11.000 9.734 553 HD2 PRO 77 HD2 PRO 77 -5.560 -13.165 7.670 554 HD3 PRO 77 HD1 PRO 77 -5.821 -11.413 7.499 555 H ASP 78 HN ASP 78 -0.495 -11.783 8.381 556 HA ASP 78 HA ASP 78 0.579 -14.352 8.705 557 HB2 ASP 78 HB2 ASP 78 -0.650 -15.131 6.832 558 HB3 ASP 78 HB1 ASP 78 -0.373 -13.645 5.930 559 H ASP 79 HN ASP 79 0.718 -11.647 6.442 560 HA ASP 79 HA ASP 79 2.208 -9.984 6.090 561 HB2 ASP 79 HB2 ASP 79 3.247 -10.792 8.807 562 HB3 ASP 79 HB1 ASP 79 3.742 -9.345 7.940 563 H ALA 80 HN ALA 80 2.954 -12.935 5.489 564 HA ALA 80 HA ALA 80 5.854 -12.611 5.315 565 HB1 ALA 80 HB1 ALA 80 5.879 -14.911 4.495 566 HB2 ALA 80 HB2 ALA 80 4.116 -14.936 4.500 567 HB3 ALA 80 HB3 ALA 80 5.000 -14.784 6.018 568 H ARG 81 HN ARG 81 3.016 -12.822 3.240 569 HA ARG 81 HA ARG 81 4.633 -12.387 0.856 570 HB2 ARG 81 HB2 ARG 81 2.545 -12.583 -0.385 571 HB3 ARG 81 HB1 ARG 81 2.712 -13.926 0.735 572 HG2 ARG 81 HG2 ARG 81 1.164 -12.850 2.277 573 HG3 ARG 81 HG1 ARG 81 1.016 -11.478 1.177 574 HD2 ARG 81 HD2 ARG 81 -0.878 -12.993 0.933 575 HD3 ARG 81 HD1 ARG 81 0.093 -12.957 -0.544 576 HE ARG 81 HE ARG 81 1.025 -15.071 1.001 577 HH11 ARG 81 HH11 ARG 81 -1.920 -14.149 -0.640 578 HH12 ARG 81 HH12 ARG 81 -2.438 -15.779 -0.918 579 HH21 ARG 81 HH21 ARG 81 0.376 -17.221 0.615 580 HH22 ARG 81 HH22 ARG 81 -1.117 -17.533 -0.211 581 H VAL 82 HN VAL 82 3.578 -10.509 3.268 582 HA VAL 82 HA VAL 82 3.286 -8.151 1.538 583 HB VAL 82 HB VAL 82 1.879 -8.531 4.189 584 HG11 VAL 82 HG11 VAL 82 0.626 -6.531 3.526 585 HG12 VAL 82 HG12 VAL 82 1.601 -6.410 2.062 586 HG13 VAL 82 HG13 VAL 82 2.357 -6.212 3.644 587 HG21 VAL 82 HG21 VAL 82 0.762 -8.780 1.397 588 HG22 VAL 82 HG22 VAL 82 -0.206 -8.707 2.870 589 HG23 VAL 82 HG23 VAL 82 0.894 -10.060 2.605 590 H VAL 83 HN VAL 83 4.836 -6.715 1.896 591 HA VAL 83 HA VAL 83 6.696 -7.053 4.055 592 HB VAL 83 HB VAL 83 6.466 -4.872 1.969 593 HG11 VAL 83 HG11 VAL 83 8.747 -4.254 2.589 594 HG12 VAL 83 HG12 VAL 83 8.731 -5.460 3.877 595 HG13 VAL 83 HG13 VAL 83 7.647 -4.071 3.956 596 HG21 VAL 83 HG21 VAL 83 6.936 -7.063 1.025 597 HG22 VAL 83 HG22 VAL 83 8.279 -7.275 2.148 598 HG23 VAL 83 HG23 VAL 83 8.354 -6.021 0.909 599 H ALA 84 HN ALA 84 4.202 -4.726 3.191 600 HA ALA 84 HA ALA 84 3.788 -4.017 5.944 601 HB1 ALA 84 HB1 ALA 84 4.774 -1.903 4.028 602 HB2 ALA 84 HB2 ALA 84 5.678 -2.559 5.394 603 HB3 ALA 84 HB3 ALA 84 4.208 -1.627 5.675 604 H HIS 85 HN HIS 85 1.826 -2.834 6.241 605 HA HIS 85 HA HIS 85 0.220 -2.191 3.928 606 HB2 HIS 85 HB2 HIS 85 -1.665 -3.693 4.643 607 HB3 HIS 85 HB1 HIS 85 -0.273 -4.542 3.989 608 HD1 HIS 85 HD1 HIS 85 -2.375 -4.236 7.023 609 HD2 HIS 85 HD2 HIS 85 1.244 -5.990 5.952 610 HE1 HIS 85 HE1 HIS 85 -1.850 -5.884 8.847 611 HE2 HIS 85 HE2 HIS 85 0.347 -6.944 8.176 612 H THR 86 HN THR 86 -1.298 -0.699 4.354 613 HA THR 86 HA THR 86 -1.513 0.363 7.039 614 HB THR 86 HB THR 86 -3.127 1.968 5.942 615 HG1 THR 86 HG1 THR 86 -3.440 0.255 4.154 616 HG21 THR 86 HG21 THR 86 -1.439 3.219 4.765 617 HG22 THR 86 HG22 THR 86 -0.468 1.771 4.537 618 HG23 THR 86 HG23 THR 86 -0.686 2.435 6.154 619 H LYS 87 HN LYS 87 -3.970 0.975 7.601 620 HA LYS 87 HA LYS 87 -5.529 -1.496 7.322 621 HB2 LYS 87 HB2 LYS 87 -5.690 0.726 9.366 622 HB3 LYS 87 HB1 LYS 87 -6.845 -0.599 9.268 623 HG2 LYS 87 HG2 LYS 87 -5.078 -2.207 9.693 624 HG3 LYS 87 HG1 LYS 87 -3.883 -0.912 9.721 625 HD2 LYS 87 HD2 LYS 87 -6.219 -1.094 11.613 626 HD3 LYS 87 HD1 LYS 87 -4.607 -1.713 11.972 627 HE2 LYS 87 HE2 LYS 87 -5.287 1.150 11.321 628 HE3 LYS 87 HE1 LYS 87 -4.972 0.512 12.932 629 HZ1 LYS 87 HZ1 LYS 87 -3.029 0.526 10.687 630 HZ2 LYS 87 HZ2 LYS 87 -2.733 -0.037 12.251 631 HZ3 LYS 87 HZ3 LYS 87 -3.029 1.606 11.987 632 H LEU 88 HN LEU 88 -7.862 -1.266 7.014 633 HA LEU 88 HA LEU 88 -8.288 0.286 4.680 634 HB2 LEU 88 HB2 LEU 88 -9.332 -1.914 5.092 635 HB3 LEU 88 HB1 LEU 88 -10.295 -1.203 6.375 636 HG LEU 88 HG LEU 88 -11.306 0.324 4.655 637 HD11 LEU 88 HD11 LEU 88 -9.595 0.231 2.962 638 HD12 LEU 88 HD12 LEU 88 -11.103 -0.390 2.291 639 HD13 LEU 88 HD13 LEU 88 -9.826 -1.506 2.770 640 HD21 LEU 88 HD21 LEU 88 -12.504 -1.641 5.436 641 HD22 LEU 88 HD22 LEU 88 -11.667 -2.645 4.254 642 HD23 LEU 88 HD23 LEU 88 -12.788 -1.397 3.712 643 H ILE 89 HN ILE 89 -8.753 2.347 4.581 644 HA ILE 89 HA ILE 89 -10.045 3.607 6.907 645 HB ILE 89 HB ILE 89 -8.915 5.717 6.109 646 HG12 ILE 89 HG12 ILE 89 -7.280 3.758 4.481 647 HG13 ILE 89 HG11 ILE 89 -8.420 4.920 3.814 648 HG21 ILE 89 HG21 ILE 89 -7.147 3.433 6.970 649 HG22 ILE 89 HG22 ILE 89 -8.143 4.424 8.035 650 HG23 ILE 89 HG23 ILE 89 -6.791 5.150 7.164 651 HD11 ILE 89 HD11 ILE 89 -7.043 6.744 4.714 652 HD12 ILE 89 HD12 ILE 89 -6.163 5.723 3.578 653 HD13 ILE 89 HD13 ILE 89 -5.890 5.552 5.311 654 H GLY 90 HN GLY 90 -11.776 4.896 6.640 655 HA2 GLY 90 HA2 GLY 90 -12.553 5.650 3.909 656 HA3 GLY 90 HA1 GLY 90 -13.704 4.787 4.915 657 H GLY 91 HN GLY 91 -14.265 7.288 3.861 658 HA2 GLY 91 HA2 GLY 91 -15.272 9.225 4.537 659 HA3 GLY 91 HA1 GLY 91 -15.249 8.563 6.160 660 H GLY 92 HN GLY 92 -12.185 8.997 4.600 661 HA2 GLY 92 HA2 GLY 92 -10.876 11.010 4.567 662 HA3 GLY 92 HA1 GLY 92 -11.885 11.633 5.863 663 H GLU 93 HN GLU 93 -11.149 8.464 6.545 664 HA GLU 93 HA GLU 93 -9.452 9.161 8.710 665 HB2 GLU 93 HB2 GLU 93 -10.153 6.493 7.494 666 HB3 GLU 93 HB1 GLU 93 -9.158 6.664 8.931 667 HG2 GLU 93 HG2 GLU 93 -11.012 7.683 10.114 668 HG3 GLU 93 HG1 GLU 93 -12.008 7.597 8.659 669 H GLU 94 HN GLU 94 -7.321 8.094 9.084 670 HA GLU 94 HA GLU 94 -5.763 7.757 6.633 671 HB2 GLU 94 HB2 GLU 94 -3.860 8.979 7.902 672 HB3 GLU 94 HB1 GLU 94 -5.116 9.938 7.136 673 HG2 GLU 94 HG2 GLU 94 -4.637 10.882 9.255 674 HG3 GLU 94 HG1 GLU 94 -6.230 10.137 9.344 675 H SER 95 HN SER 95 -3.774 6.581 6.912 676 HA SER 95 HA SER 95 -3.316 5.201 9.409 677 HB2 SER 95 HB2 SER 95 -5.103 3.831 8.294 678 HB3 SER 95 HB1 SER 95 -4.002 3.576 6.939 679 HG SER 95 HG SER 95 -3.414 2.878 9.628 680 H SER 96 HN SER 96 -1.259 4.106 9.412 681 HA SER 96 HA SER 96 0.467 4.866 7.160 682 HB2 SER 96 HB2 SER 96 1.165 5.220 10.089 683 HB3 SER 96 HB1 SER 96 2.178 5.657 8.710 684 HG SER 96 HG SER 96 -0.354 6.773 9.375 685 H LEU 97 HN LEU 97 2.417 3.638 6.976 686 HA LEU 97 HA LEU 97 2.555 1.221 8.626 687 HB2 LEU 97 HB2 LEU 97 3.121 -0.136 6.655 688 HB3 LEU 97 HB1 LEU 97 1.496 0.509 6.578 689 HG LEU 97 HG LEU 97 2.509 2.350 5.063 690 HD11 LEU 97 HD11 LEU 97 4.872 1.825 5.530 691 HD12 LEU 97 HD12 LEU 97 4.488 1.724 3.812 692 HD13 LEU 97 HD13 LEU 97 4.658 0.252 4.764 693 HD21 LEU 97 HD21 LEU 97 2.216 0.975 3.091 694 HD22 LEU 97 HD22 LEU 97 1.003 0.556 4.300 695 HD23 LEU 97 HD23 LEU 97 2.399 -0.489 4.055 696 H THR 98 HN THR 98 4.679 0.235 8.638 697 HA THR 98 HA THR 98 6.845 1.990 7.725 698 HB THR 98 HB THR 98 6.845 0.595 10.409 699 HG1 THR 98 HG1 THR 98 5.339 2.298 10.458 700 HG21 THR 98 HG21 THR 98 9.055 0.991 9.412 701 HG22 THR 98 HG22 THR 98 8.801 1.978 10.850 702 HG23 THR 98 HG23 THR 98 8.666 2.705 9.248 703 H LEU 99 HN LEU 99 8.343 0.891 6.588 704 HA LEU 99 HA LEU 99 8.162 -2.050 6.679 705 HB2 LEU 99 HB2 LEU 99 8.541 -2.104 4.296 706 HB3 LEU 99 HB1 LEU 99 7.168 -1.070 4.648 707 HG LEU 99 HG LEU 99 9.305 0.693 4.584 708 HD11 LEU 99 HD11 LEU 99 10.424 0.213 2.447 709 HD12 LEU 99 HD12 LEU 99 9.618 -1.356 2.393 710 HD13 LEU 99 HD13 LEU 99 10.777 -1.002 3.676 711 HD21 LEU 99 HD21 LEU 99 7.376 -0.055 2.389 712 HD22 LEU 99 HD22 LEU 99 8.322 1.430 2.458 713 HD23 LEU 99 HD23 LEU 99 7.091 1.114 3.680 714 H ASP 100 HN ASP 100 10.034 -3.241 6.153 715 HA ASP 100 HA ASP 100 12.537 -1.922 6.871 716 HB2 ASP 100 HB2 ASP 100 11.984 -3.998 8.049 717 HB3 ASP 100 HB1 ASP 100 11.826 -4.849 6.517 718 HA PRO 101 HA PRO 101 13.136 -1.490 2.480 719 HB2 PRO 101 HB2 PRO 101 15.658 -0.407 2.633 720 HB3 PRO 101 HB1 PRO 101 14.158 0.507 2.810 721 HG2 PRO 101 HG2 PRO 101 16.020 -0.515 4.898 722 HG3 PRO 101 HG1 PRO 101 15.091 0.998 4.855 723 HD2 PRO 101 HD2 PRO 101 14.370 -1.157 6.352 724 HD3 PRO 101 HD1 PRO 101 13.191 -0.009 5.683 725 H ALA 102 HN ALA 102 15.032 -3.480 4.540 726 HA ALA 102 HA ALA 102 16.872 -4.417 2.577 727 HB1 ALA 102 HB1 ALA 102 17.328 -6.240 4.146 728 HB2 ALA 102 HB2 ALA 102 15.949 -5.736 5.123 729 HB3 ALA 102 HB3 ALA 102 17.342 -4.670 4.948 730 H LYS 103 HN LYS 103 13.583 -5.158 3.374 731 HA LYS 103 HA LYS 103 13.415 -7.687 2.102 732 HB2 LYS 103 HB2 LYS 103 11.377 -5.598 2.827 733 HB3 LYS 103 HB1 LYS 103 10.920 -7.040 1.937 734 HG2 LYS 103 HG2 LYS 103 12.274 -7.069 4.626 735 HG3 LYS 103 HG1 LYS 103 10.530 -7.178 4.380 736 HD2 LYS 103 HD2 LYS 103 10.954 -9.188 2.941 737 HD3 LYS 103 HD1 LYS 103 12.639 -9.123 3.459 738 HE2 LYS 103 HE2 LYS 103 11.435 -10.724 4.807 739 HE3 LYS 103 HE1 LYS 103 11.897 -9.344 5.799 740 HZ1 LYS 103 HZ1 LYS 103 9.208 -9.803 4.625 741 HZ2 LYS 103 HZ2 LYS 103 9.650 -8.482 5.583 742 HZ3 LYS 103 HZ3 LYS 103 9.631 -10.034 6.244 743 H LEU 104 HN LEU 104 13.334 -4.411 0.936 744 HA LEU 104 HA LEU 104 12.170 -5.154 -1.612 745 HB2 LEU 104 HB2 LEU 104 12.974 -2.577 -0.336 746 HB3 LEU 104 HB1 LEU 104 12.792 -2.644 -2.080 747 HG LEU 104 HG LEU 104 10.445 -3.313 -1.833 748 HD11 LEU 104 HD11 LEU 104 10.917 -3.035 1.132 749 HD12 LEU 104 HD12 LEU 104 10.601 -4.540 0.266 750 HD13 LEU 104 HD13 LEU 104 9.357 -3.292 0.349 751 HD21 LEU 104 HD21 LEU 104 10.953 -0.954 -1.980 752 HD22 LEU 104 HD22 LEU 104 11.200 -0.873 -0.235 753 HD23 LEU 104 HD23 LEU 104 9.596 -1.213 -0.883 754 H ALA 105 HN ALA 105 15.122 -5.534 -0.371 755 HA ALA 105 HA ALA 105 16.671 -4.681 -2.656 756 HB1 ALA 105 HB1 ALA 105 17.485 -6.346 -0.277 757 HB2 ALA 105 HB2 ALA 105 17.656 -4.597 -0.417 758 HB3 ALA 105 HB3 ALA 105 18.575 -5.661 -1.482 759 H ASP 106 HN ASP 106 14.775 -7.340 -1.830 760 HA ASP 106 HA ASP 106 16.141 -9.032 -3.815 761 HB2 ASP 106 HB2 ASP 106 14.581 -9.858 -1.363 762 HB3 ASP 106 HB1 ASP 106 15.072 -10.979 -2.628 763 H GLY 107 HN GLY 107 14.690 -7.531 -5.173 764 HA2 GLY 107 HA2 GLY 107 13.175 -8.618 -6.869 765 HA3 GLY 107 HA1 GLY 107 12.094 -8.886 -5.509 766 H ASP 108 HN ASP 108 11.064 -7.638 -7.582 767 HA ASP 108 HA ASP 108 11.113 -4.778 -6.984 768 HB2 ASP 108 HB2 ASP 108 10.110 -6.375 -9.329 769 HB3 ASP 108 HB1 ASP 108 9.578 -4.719 -9.068 770 H TYR 109 HN TYR 109 9.614 -3.953 -5.743 771 HA TYR 109 HA TYR 109 7.229 -5.566 -5.192 772 HB2 TYR 109 HB2 TYR 109 8.672 -3.509 -3.512 773 HB3 TYR 109 HB1 TYR 109 7.112 -4.196 -3.073 774 HD1 TYR 109 HD1 TYR 109 10.633 -5.139 -3.845 775 HD2 TYR 109 HD2 TYR 109 6.988 -6.229 -1.945 776 HE1 TYR 109 HE1 TYR 109 11.750 -7.072 -2.828 777 HE2 TYR 109 HE2 TYR 109 8.098 -8.165 -0.919 778 HH TYR 109 HH TYR 109 11.469 -8.540 -0.868 779 H LYS 110 HN LYS 110 5.213 -4.495 -4.891 780 HA LYS 110 HA LYS 110 5.055 -1.826 -6.110 781 HB2 LYS 110 HB2 LYS 110 3.035 -4.009 -6.662 782 HB3 LYS 110 HB1 LYS 110 3.148 -2.430 -7.430 783 HG2 LYS 110 HG2 LYS 110 5.441 -3.221 -8.273 784 HG3 LYS 110 HG1 LYS 110 4.889 -4.835 -7.821 785 HD2 LYS 110 HD2 LYS 110 3.601 -2.956 -9.797 786 HD3 LYS 110 HD1 LYS 110 4.423 -4.476 -10.150 787 HE2 LYS 110 HE2 LYS 110 2.693 -5.676 -8.865 788 HE3 LYS 110 HE1 LYS 110 1.860 -4.144 -8.596 789 HZ1 LYS 110 HZ1 LYS 110 2.374 -5.396 -11.240 790 HZ2 LYS 110 HZ2 LYS 110 1.585 -3.921 -10.991 791 HZ3 LYS 110 HZ3 LYS 110 0.887 -5.355 -10.438 792 H PHE 111 HN PHE 111 3.011 -0.726 -5.597 793 HA PHE 111 HA PHE 111 1.867 -1.671 -3.054 794 HB2 PHE 111 HB2 PHE 111 1.511 0.629 -2.370 795 HB3 PHE 111 HB1 PHE 111 3.207 0.411 -2.766 796 HD1 PHE 111 HD2 PHE 111 4.153 1.429 -4.778 797 HD2 PHE 111 HD1 PHE 111 0.109 2.094 -3.637 798 HE1 PHE 111 HE2 PHE 111 4.041 3.348 -6.318 799 HE2 PHE 111 HE1 PHE 111 -0.013 4.009 -5.175 800 HZ PHE 111 HZ PHE 111 1.966 4.688 -6.456 801 H ALA 112 HN ALA 112 -0.379 -1.507 -2.819 802 HA ALA 112 HA ALA 112 -1.968 -0.522 -5.020 803 HB1 ALA 112 HB1 ALA 112 -1.919 -3.485 -4.470 804 HB2 ALA 112 HB2 ALA 112 -1.179 -2.700 -5.865 805 HB3 ALA 112 HB3 ALA 112 -2.929 -2.649 -5.649 806 H CYS 113 HN CYS 113 -4.256 -0.792 -4.677 807 HA CYS 113 HA CYS 113 -4.980 -0.904 -1.840 808 HB2 CYS 113 HB2 CYS 113 -5.699 1.024 -3.358 809 HB3 CYS 113 HB1 CYS 113 -6.751 -0.126 -4.174 810 H THR 114 HN THR 114 -5.834 -2.738 -1.035 811 HA THR 114 HA THR 114 -6.367 -4.901 -2.895 812 HB THR 114 HB THR 114 -6.560 -6.307 -0.826 813 HG1 THR 114 HG1 THR 114 -6.366 -5.412 1.116 814 HG21 THR 114 HG21 THR 114 -4.036 -4.678 -1.151 815 HG22 THR 114 HG22 THR 114 -4.451 -6.147 -2.034 816 HG23 THR 114 HG23 THR 114 -4.152 -6.217 -0.298 817 H PHE 115 HN PHE 115 -8.254 -2.510 -2.007 818 HA PHE 115 HA PHE 115 -10.620 -3.821 -1.132 819 HB2 PHE 115 HB2 PHE 115 -10.117 -1.328 -0.992 820 HB3 PHE 115 HB1 PHE 115 -10.461 -1.243 -2.715 821 HD1 PHE 115 HD2 PHE 115 -12.743 -1.534 -3.539 822 HD2 PHE 115 HD1 PHE 115 -11.859 -1.630 0.620 823 HE1 PHE 115 HE2 PHE 115 -15.132 -1.245 -3.028 824 HE2 PHE 115 HE1 PHE 115 -14.243 -1.335 1.138 825 HZ PHE 115 HZ PHE 115 -15.885 -1.143 -0.685 826 HA PRO 116 HA PRO 116 -11.596 -6.076 -4.810 827 HB2 PRO 116 HB2 PRO 116 -14.422 -5.552 -4.043 828 HB3 PRO 116 HB1 PRO 116 -13.610 -7.087 -4.376 829 HG2 PRO 116 HG2 PRO 116 -14.189 -6.376 -1.877 830 HG3 PRO 116 HG1 PRO 116 -12.669 -7.204 -2.262 831 HD2 PRO 116 HD2 PRO 116 -13.158 -4.314 -1.660 832 HD3 PRO 116 HD1 PRO 116 -11.786 -5.353 -1.203 833 H GLY 117 HN GLY 117 -11.351 -5.161 -6.723 834 HA2 GLY 117 HA2 GLY 117 -12.266 -4.179 -8.677 835 HA3 GLY 117 HA1 GLY 117 -13.381 -3.268 -7.665 836 H HIS 118 HN HIS 118 -10.751 -2.835 -5.980 837 HA HIS 118 HA HIS 118 -10.202 -0.283 -7.267 838 HB2 HIS 118 HB2 HIS 118 -9.722 -1.392 -4.525 839 HB3 HIS 118 HB1 HIS 118 -8.820 0.013 -5.072 840 HD2 HIS 118 HD2 HIS 118 -12.579 -0.301 -6.029 841 HE1 HIS 118 HE1 HIS 118 -12.136 2.722 -3.103 842 HE2 HIS 118 HE2 HIS 118 -13.789 1.468 -4.566 843 H GLY 119 HN GLY 119 -8.653 -3.331 -6.702 844 HA2 GLY 119 HA2 GLY 119 -5.969 -2.667 -6.706 845 HA3 GLY 119 HA1 GLY 119 -6.616 -4.167 -7.355 846 H ALA 120 HN ALA 120 -8.099 -3.077 -9.496 847 HA ALA 120 HA ALA 120 -6.045 -2.953 -11.443 848 HB1 ALA 120 HB1 ALA 120 -8.989 -2.389 -11.745 849 HB2 ALA 120 HB2 ALA 120 -8.227 -3.975 -11.864 850 HB3 ALA 120 HB3 ALA 120 -7.853 -2.726 -13.050 851 H LEU 121 HN LEU 121 -7.816 -0.504 -9.729 852 HA LEU 121 HA LEU 121 -6.959 1.547 -11.647 853 HB2 LEU 121 HB2 LEU 121 -8.901 1.742 -9.339 854 HB3 LEU 121 HB1 LEU 121 -8.550 3.019 -10.490 855 HG LEU 121 HG LEU 121 -9.843 0.378 -11.176 856 HD11 LEU 121 HD11 LEU 121 -11.876 1.714 -11.485 857 HD12 LEU 121 HD12 LEU 121 -11.027 3.136 -10.880 858 HD13 LEU 121 HD13 LEU 121 -11.308 1.759 -9.815 859 HD21 LEU 121 HD21 LEU 121 -10.320 1.469 -13.331 860 HD22 LEU 121 HD22 LEU 121 -8.593 1.272 -13.047 861 HD23 LEU 121 HD23 LEU 121 -9.345 2.851 -12.829 862 H MET 122 HN MET 122 -6.169 0.243 -8.625 863 HA MET 122 HA MET 122 -4.538 2.599 -7.975 864 HB2 MET 122 HB2 MET 122 -6.453 1.087 -6.243 865 HB3 MET 122 HB1 MET 122 -5.032 1.822 -5.515 866 HG2 MET 122 HG2 MET 122 -5.808 3.925 -5.787 867 HG3 MET 122 HG1 MET 122 -6.643 3.541 -7.291 868 HE1 MET 122 HE1 MET 122 -8.637 1.375 -6.889 869 HE2 MET 122 HE2 MET 122 -9.036 2.969 -7.523 870 HE3 MET 122 HE3 MET 122 -10.039 2.244 -6.266 871 H ASN 123 HN ASN 123 -2.859 1.389 -9.028 872 HA ASN 123 HA ASN 123 -1.372 -0.097 -7.050 873 HB2 ASN 123 HB2 ASN 123 -0.763 -1.940 -8.550 874 HB3 ASN 123 HB1 ASN 123 -2.506 -1.911 -8.294 875 HD21 ASN 123 HD21 ASN 123 -3.854 -1.454 -9.998 876 HD22 ASN 123 HD22 ASN 123 -3.298 -1.368 -11.637 877 H GLY 124 HN GLY 124 0.830 0.134 -7.278 878 HA2 GLY 124 HA2 GLY 124 1.907 1.391 -9.674 879 HA3 GLY 124 HA1 GLY 124 1.940 2.384 -8.220 880 H LYS 125 HN LYS 125 4.329 2.176 -8.902 881 HA LYS 125 HA LYS 125 5.488 -0.378 -8.032 882 HB2 LYS 125 HB2 LYS 125 6.074 0.284 -10.300 883 HB3 LYS 125 HB1 LYS 125 6.645 1.843 -9.726 884 HG2 LYS 125 HG2 LYS 125 8.524 0.425 -10.188 885 HG3 LYS 125 HG1 LYS 125 8.411 0.689 -8.446 886 HD2 LYS 125 HD2 LYS 125 7.209 -1.503 -8.282 887 HD3 LYS 125 HD1 LYS 125 7.583 -1.766 -9.987 888 HE2 LYS 125 HE2 LYS 125 9.594 -1.348 -7.778 889 HE3 LYS 125 HE1 LYS 125 9.186 -2.891 -8.521 890 HZ1 LYS 125 HZ1 LYS 125 9.912 -1.817 -10.679 891 HZ2 LYS 125 HZ2 LYS 125 11.130 -2.202 -9.572 892 HZ3 LYS 125 HZ3 LYS 125 10.607 -0.598 -9.730 893 H VAL 126 HN VAL 126 6.814 -0.502 -6.300 894 HA VAL 126 HA VAL 126 7.845 2.015 -5.192 895 HB VAL 126 HB VAL 126 6.186 1.280 -3.632 896 HG11 VAL 126 HG11 VAL 126 7.537 -1.411 -3.667 897 HG12 VAL 126 HG12 VAL 126 5.926 -1.026 -4.274 898 HG13 VAL 126 HG13 VAL 126 6.265 -0.928 -2.546 899 HG21 VAL 126 HG21 VAL 126 8.247 2.143 -2.662 900 HG22 VAL 126 HG22 VAL 126 8.912 0.510 -2.605 901 HG23 VAL 126 HG23 VAL 126 7.514 0.928 -1.615 902 H THR 127 HN THR 127 9.969 2.125 -5.210 903 HA THR 127 HA THR 127 11.462 -0.386 -5.631 904 HB THR 127 HB THR 127 12.089 2.268 -6.934 905 HG1 THR 127 HG1 THR 127 10.470 1.780 -8.209 906 HG21 THR 127 HG21 THR 127 13.492 0.890 -8.414 907 HG22 THR 127 HG22 THR 127 13.064 -0.541 -7.476 908 HG23 THR 127 HG23 THR 127 13.994 0.759 -6.729 909 H LEU 128 HN LEU 128 13.401 -0.602 -4.615 910 HA LEU 128 HA LEU 128 14.076 1.228 -2.501 911 HB2 LEU 128 HB2 LEU 128 14.340 -1.235 -2.313 912 HB3 LEU 128 HB1 LEU 128 15.569 -1.177 -3.563 913 HG LEU 128 HG LEU 128 16.867 0.368 -2.004 914 HD11 LEU 128 HD11 LEU 128 16.354 0.139 0.373 915 HD12 LEU 128 HD12 LEU 128 14.891 -0.758 -0.027 916 HD13 LEU 128 HD13 LEU 128 15.046 0.935 -0.498 917 HD21 LEU 128 HD21 LEU 128 17.473 -1.954 -2.441 918 HD22 LEU 128 HD22 LEU 128 16.375 -2.482 -1.166 919 HD23 LEU 128 HD23 LEU 128 17.790 -1.510 -0.767 920 H VAL 129 HN VAL 129 15.563 2.813 -2.547 921 HA VAL 129 HA VAL 129 17.271 3.005 -4.944 922 HB VAL 129 HB VAL 129 17.176 5.459 -4.752 923 HG11 VAL 129 HG11 VAL 129 14.878 5.751 -5.580 924 HG12 VAL 129 HG12 VAL 129 14.488 4.123 -5.022 925 HG13 VAL 129 HG13 VAL 129 15.681 4.356 -6.299 926 HG21 VAL 129 HG21 VAL 129 16.675 5.661 -2.383 927 HG22 VAL 129 HG22 VAL 129 15.082 4.948 -2.640 928 HG23 VAL 129 HG23 VAL 129 15.470 6.520 -3.341 929 H ASP 130 HN ASP 130 19.288 4.065 -4.663 930 HA ASP 130 HA ASP 130 20.379 3.689 -1.959 931 HB2 ASP 130 HB2 ASP 130 21.420 2.272 -3.656 932 HB3 ASP 130 HB1 ASP 130 21.771 3.685 -4.648 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 16.049 14.805 -1.197 2 H2 ALA 1 HT2 ALA 1 16.117 15.106 -2.857 3 H3 ALA 1 HT3 ALA 1 17.300 15.746 -1.835 4 HA ALA 1 HA ALA 1 18.151 13.855 -3.051 5 HB1 ALA 1 HB1 ALA 1 19.008 14.336 -0.806 6 HB2 ALA 1 HB2 ALA 1 19.012 12.605 -1.144 7 HB3 ALA 1 HB3 ALA 1 17.763 13.298 -0.111 8 H THR 2 HN THR 2 17.341 12.321 -4.309 9 HA THR 2 HA THR 2 14.833 11.072 -3.766 10 HB THR 2 HB THR 2 15.572 11.581 -6.067 11 HG1 THR 2 HG1 THR 2 14.734 9.076 -5.213 12 HG21 THR 2 HG21 THR 2 17.236 10.158 -7.171 13 HG22 THR 2 HG22 THR 2 17.551 9.335 -5.644 14 HG23 THR 2 HG23 THR 2 17.954 11.041 -5.825 15 H ALA 3 HN ALA 3 18.062 10.332 -2.962 16 HA ALA 3 HA ALA 3 17.316 7.560 -2.284 17 HB1 ALA 3 HB1 ALA 3 19.159 7.715 -3.894 18 HB2 ALA 3 HB2 ALA 3 19.702 7.033 -2.361 19 HB3 ALA 3 HB3 ALA 3 20.069 8.710 -2.759 20 H GLY 4 HN GLY 4 16.636 9.845 -0.686 21 HA2 GLY 4 HA2 GLY 4 17.942 9.015 1.781 22 HA3 GLY 4 HA1 GLY 4 18.130 10.704 1.338 23 H ASN 5 HN ASN 5 15.202 8.910 0.635 24 HA ASN 5 HA ASN 5 13.800 10.647 2.543 25 HB2 ASN 5 HB2 ASN 5 11.756 10.196 1.291 26 HB3 ASN 5 HB1 ASN 5 13.007 10.791 0.210 27 HD21 ASN 5 HD21 ASN 5 10.597 9.243 -0.366 28 HD22 ASN 5 HD22 ASN 5 11.134 7.785 -1.144 29 H CYS 6 HN CYS 6 12.665 9.847 4.220 30 HA CYS 6 HA CYS 6 12.873 6.938 4.633 31 HB2 CYS 6 HB2 CYS 6 12.868 9.133 6.713 32 HB3 CYS 6 HB1 CYS 6 13.043 7.407 7.028 33 H ALA 7 HN ALA 7 10.695 9.422 4.148 34 HA ALA 7 HA ALA 7 8.479 7.762 5.005 35 HB1 ALA 7 HB1 ALA 7 7.425 9.522 6.333 36 HB2 ALA 7 HB2 ALA 7 8.840 10.550 6.105 37 HB3 ALA 7 HB3 ALA 7 8.978 9.051 7.023 38 H ALA 8 HN ALA 8 6.526 8.301 4.006 39 HA ALA 8 HA ALA 8 6.509 10.557 2.152 40 HB1 ALA 8 HB1 ALA 8 5.978 7.729 1.245 41 HB2 ALA 8 HB2 ALA 8 7.411 8.678 0.853 42 HB3 ALA 8 HB3 ALA 8 5.828 9.184 0.261 43 H THR 9 HN THR 9 4.437 11.250 1.583 44 HA THR 9 HA THR 9 2.259 10.017 3.138 45 HB THR 9 HB THR 9 2.358 12.890 2.214 46 HG1 THR 9 HG1 THR 9 4.088 12.411 3.692 47 HG21 THR 9 HG21 THR 9 0.717 11.487 4.330 48 HG22 THR 9 HG22 THR 9 0.134 12.022 2.755 49 HG23 THR 9 HG23 THR 9 0.651 13.209 3.953 50 H VAL 10 HN VAL 10 0.612 9.201 2.002 51 HA VAL 10 HA VAL 10 0.386 9.983 -0.833 52 HB VAL 10 HB VAL 10 -0.223 7.282 0.385 53 HG11 VAL 10 HG11 VAL 10 -0.382 8.214 -2.481 54 HG12 VAL 10 HG12 VAL 10 -1.747 7.816 -1.438 55 HG13 VAL 10 HG13 VAL 10 -0.614 6.556 -1.926 56 HG21 VAL 10 HG21 VAL 10 1.657 6.476 -0.955 57 HG22 VAL 10 HG22 VAL 10 2.177 7.708 0.195 58 HG23 VAL 10 HG23 VAL 10 1.974 8.121 -1.507 59 H GLU 11 HN GLU 11 -1.505 10.773 -1.459 60 HA GLU 11 HA GLU 11 -3.722 10.711 0.448 61 HB2 GLU 11 HB2 GLU 11 -3.034 12.932 -0.224 62 HB3 GLU 11 HB1 GLU 11 -3.176 12.505 -1.919 63 HG2 GLU 11 HG2 GLU 11 -5.613 12.143 -1.549 64 HG3 GLU 11 HG1 GLU 11 -5.398 12.798 0.078 65 H SER 12 HN SER 12 -5.516 9.600 0.047 66 HA SER 12 HA SER 12 -5.985 8.651 -2.699 67 HB2 SER 12 HB2 SER 12 -7.346 6.813 -1.516 68 HB3 SER 12 HB1 SER 12 -5.593 6.699 -1.403 69 HG SER 12 HG SER 12 -6.087 6.527 0.655 70 H ASN 13 HN ASN 13 -7.984 8.992 -3.574 71 HA ASN 13 HA ASN 13 -9.853 10.573 -1.932 72 HB2 ASN 13 HB2 ASN 13 -10.372 11.873 -4.017 73 HB3 ASN 13 HB1 ASN 13 -8.746 12.114 -3.403 74 HD21 ASN 13 HD21 ASN 13 -9.662 9.220 -5.183 75 HD22 ASN 13 HD22 ASN 13 -8.760 9.600 -6.607 76 H ASP 14 HN ASP 14 -12.079 10.724 -3.085 77 HA ASP 14 HA ASP 14 -12.953 7.996 -3.330 78 HB2 ASP 14 HB2 ASP 14 -15.239 8.960 -3.458 79 HB3 ASP 14 HB1 ASP 14 -14.335 9.490 -2.045 80 H ASN 15 HN ASN 15 -11.644 9.975 -5.568 81 HA ASN 15 HA ASN 15 -13.318 9.076 -7.771 82 HB2 ASN 15 HB2 ASN 15 -10.865 10.832 -7.677 83 HB3 ASN 15 HB1 ASN 15 -11.589 10.291 -9.187 84 HD21 ASN 15 HD21 ASN 15 -14.314 10.456 -8.213 85 HD22 ASN 15 HD22 ASN 15 -14.687 12.142 -8.098 86 H MET 16 HN MET 16 -11.301 7.539 -5.925 87 HA MET 16 HA MET 16 -10.182 5.582 -6.069 88 HB2 MET 16 HB2 MET 16 -11.445 5.565 -8.810 89 HB3 MET 16 HB1 MET 16 -10.535 4.212 -8.158 90 HG2 MET 16 HG2 MET 16 -12.117 3.971 -6.352 91 HG3 MET 16 HG1 MET 16 -12.998 5.394 -6.901 92 HE1 MET 16 HE1 MET 16 -11.844 1.779 -7.825 93 HE2 MET 16 HE2 MET 16 -11.438 2.650 -9.303 94 HE3 MET 16 HE3 MET 16 -12.741 1.462 -9.310 95 H GLN 17 HN GLN 17 -8.285 7.165 -6.017 96 HA GLN 17 HA GLN 17 -6.379 6.180 -7.919 97 HB2 GLN 17 HB2 GLN 17 -5.788 8.111 -9.054 98 HB3 GLN 17 HB1 GLN 17 -7.530 8.300 -8.943 99 HG2 GLN 17 HG2 GLN 17 -7.301 9.840 -7.119 100 HG3 GLN 17 HG1 GLN 17 -5.567 9.557 -7.043 101 HE21 GLN 17 HE21 GLN 17 -7.083 12.026 -7.450 102 HE22 GLN 17 HE22 GLN 17 -6.516 12.684 -8.946 103 H PHE 18 HN PHE 18 -4.216 6.632 -7.330 104 HA PHE 18 HA PHE 18 -3.849 7.561 -4.575 105 HB2 PHE 18 HB2 PHE 18 -2.086 6.031 -6.494 106 HB3 PHE 18 HB1 PHE 18 -1.444 6.745 -5.022 107 HD1 PHE 18 HD2 PHE 18 -3.186 6.175 -2.930 108 HD2 PHE 18 HD1 PHE 18 -2.380 3.774 -6.350 109 HE1 PHE 18 HE2 PHE 18 -3.882 4.175 -1.685 110 HE2 PHE 18 HE1 PHE 18 -3.084 1.767 -5.115 111 HZ PHE 18 HZ PHE 18 -3.712 1.944 -2.744 112 H ASN 19 HN ASN 19 -2.497 9.295 -4.098 113 HA ASN 19 HA ASN 19 -2.407 11.419 -5.926 114 HB2 ASN 19 HB2 ASN 19 -2.289 11.571 -3.403 115 HB3 ASN 19 HB1 ASN 19 -0.596 11.102 -3.529 116 HD21 ASN 19 HD21 ASN 19 -2.940 13.590 -4.198 117 HD22 ASN 19 HD22 ASN 19 -1.796 14.861 -4.459 118 H THR 20 HN THR 20 -0.114 8.887 -5.213 119 HA THR 20 HA THR 20 1.575 9.903 -7.389 120 HB THR 20 HB THR 20 2.737 10.199 -5.224 121 HG1 THR 20 HG1 THR 20 4.493 8.452 -5.930 122 HG21 THR 20 HG21 THR 20 3.478 8.217 -3.963 123 HG22 THR 20 HG22 THR 20 2.494 7.195 -5.011 124 HG23 THR 20 HG23 THR 20 1.722 8.382 -3.960 125 H LYS 21 HN LYS 21 2.562 8.292 -8.688 126 HA LYS 21 HA LYS 21 1.037 5.784 -8.694 127 HB2 LYS 21 HB2 LYS 21 0.929 7.256 -10.700 128 HB3 LYS 21 HB1 LYS 21 2.659 7.043 -10.913 129 HG2 LYS 21 HG2 LYS 21 1.476 5.598 -12.428 130 HG3 LYS 21 HG1 LYS 21 2.308 4.628 -11.214 131 HD2 LYS 21 HD2 LYS 21 0.105 3.722 -11.575 132 HD3 LYS 21 HD1 LYS 21 0.175 4.437 -9.966 133 HE2 LYS 21 HE2 LYS 21 -1.919 4.985 -11.098 134 HE3 LYS 21 HE1 LYS 21 -0.963 6.431 -10.789 135 HZ1 LYS 21 HZ1 LYS 21 -1.126 4.991 -13.382 136 HZ2 LYS 21 HZ2 LYS 21 -0.227 6.393 -13.089 137 HZ3 LYS 21 HZ3 LYS 21 -1.914 6.438 -13.010 138 H ASP 22 HN ASP 22 4.106 7.053 -8.055 139 HA ASP 22 HA ASP 22 5.248 4.349 -7.965 140 HB2 ASP 22 HB2 ASP 22 6.635 6.790 -9.106 141 HB3 ASP 22 HB1 ASP 22 7.439 5.266 -8.747 142 H ILE 23 HN ILE 23 6.569 3.966 -6.225 143 HA ILE 23 HA ILE 23 7.166 6.254 -4.466 144 HB ILE 23 HB ILE 23 6.141 3.534 -3.651 145 HG12 ILE 23 HG12 ILE 23 5.164 6.321 -2.975 146 HG13 ILE 23 HG11 ILE 23 4.478 5.304 -4.240 147 HG21 ILE 23 HG21 ILE 23 7.283 5.667 -1.847 148 HG22 ILE 23 HG22 ILE 23 8.052 4.130 -2.236 149 HG23 ILE 23 HG23 ILE 23 6.540 4.153 -1.330 150 HD11 ILE 23 HD11 ILE 23 3.881 3.638 -2.524 151 HD12 ILE 23 HD12 ILE 23 3.111 5.202 -2.263 152 HD13 ILE 23 HD13 ILE 23 4.501 4.730 -1.288 153 H GLN 24 HN GLN 24 9.221 6.412 -3.903 154 HA GLN 24 HA GLN 24 11.007 4.161 -4.518 155 HB2 GLN 24 HB2 GLN 24 11.589 7.121 -4.379 156 HB3 GLN 24 HB1 GLN 24 12.802 5.876 -4.650 157 HG2 GLN 24 HG2 GLN 24 11.815 5.268 -6.735 158 HG3 GLN 24 HG1 GLN 24 10.428 6.315 -6.447 159 HE21 GLN 24 HE21 GLN 24 12.079 8.467 -5.358 160 HE22 GLN 24 HE22 GLN 24 12.879 9.184 -6.712 161 H VAL 25 HN VAL 25 11.974 3.179 -2.903 162 HA VAL 25 HA VAL 25 11.891 4.444 -0.241 163 HB VAL 25 HB VAL 25 11.981 1.511 -0.976 164 HG11 VAL 25 HG11 VAL 25 13.238 1.924 1.063 165 HG12 VAL 25 HG12 VAL 25 11.726 1.089 1.428 166 HG13 VAL 25 HG13 VAL 25 11.875 2.819 1.740 167 HG21 VAL 25 HG21 VAL 25 9.743 1.424 0.017 168 HG22 VAL 25 HG22 VAL 25 9.802 2.520 -1.364 169 HG23 VAL 25 HG23 VAL 25 9.796 3.167 0.276 170 H SER 26 HN SER 26 13.772 5.091 0.533 171 HA SER 26 HA SER 26 16.234 4.325 -0.749 172 HB2 SER 26 HB2 SER 26 15.700 6.147 1.610 173 HB3 SER 26 HB1 SER 26 17.256 5.968 0.803 174 HG SER 26 HG SER 26 14.836 6.989 -0.285 175 H LYS 27 HN LYS 27 17.423 2.651 -0.208 176 HA LYS 27 HA LYS 27 16.844 0.991 2.015 177 HB2 LYS 27 HB2 LYS 27 18.714 -0.347 1.304 178 HB3 LYS 27 HB1 LYS 27 17.834 0.192 -0.117 179 HG2 LYS 27 HG2 LYS 27 19.496 1.908 -0.531 180 HG3 LYS 27 HG1 LYS 27 20.368 1.438 0.927 181 HD2 LYS 27 HD2 LYS 27 19.882 -0.324 -1.476 182 HD3 LYS 27 HD1 LYS 27 21.394 0.507 -1.103 183 HE2 LYS 27 HE2 LYS 27 21.541 -0.750 1.004 184 HE3 LYS 27 HE1 LYS 27 20.056 -1.599 0.588 185 HZ1 LYS 27 HZ1 LYS 27 21.189 -2.464 -1.392 186 HZ2 LYS 27 HZ2 LYS 27 21.944 -2.948 0.041 187 HZ3 LYS 27 HZ3 LYS 27 22.621 -1.716 -0.895 188 H ALA 28 HN ALA 28 18.791 3.757 1.657 189 HA ALA 28 HA ALA 28 20.699 3.282 3.693 190 HB1 ALA 28 HB1 ALA 28 19.650 5.908 2.657 191 HB2 ALA 28 HB2 ALA 28 20.988 4.991 1.967 192 HB3 ALA 28 HB3 ALA 28 21.127 5.669 3.587 193 H CYS 29 HN CYS 29 17.408 3.703 3.863 194 HA CYS 29 HA CYS 29 17.457 4.950 6.506 195 HB2 CYS 29 HB2 CYS 29 15.140 4.197 4.705 196 HB3 CYS 29 HB1 CYS 29 14.998 5.047 6.241 197 H LYS 30 HN LYS 30 16.833 3.894 8.332 198 HA LYS 30 HA LYS 30 17.112 1.055 8.369 199 HB2 LYS 30 HB2 LYS 30 17.868 2.483 10.225 200 HB3 LYS 30 HB1 LYS 30 16.207 2.965 10.532 201 HG2 LYS 30 HG2 LYS 30 15.643 0.652 11.095 202 HG3 LYS 30 HG1 LYS 30 17.320 0.183 10.808 203 HD2 LYS 30 HD2 LYS 30 18.037 1.723 12.581 204 HD3 LYS 30 HD1 LYS 30 16.351 2.145 12.882 205 HE2 LYS 30 HE2 LYS 30 17.167 0.486 14.487 206 HE3 LYS 30 HE1 LYS 30 15.861 -0.153 13.493 207 HZ1 LYS 30 HZ1 LYS 30 17.446 -1.339 12.168 208 HZ2 LYS 30 HZ2 LYS 30 17.713 -1.720 13.790 209 HZ3 LYS 30 HZ3 LYS 30 18.746 -0.643 12.995 210 H GLU 31 HN GLU 31 14.441 3.297 8.420 211 HA GLU 31 HA GLU 31 12.639 1.127 7.787 212 HB2 GLU 31 HB2 GLU 31 11.018 1.618 9.485 213 HB3 GLU 31 HB1 GLU 31 12.556 1.330 10.277 214 HG2 GLU 31 HG2 GLU 31 11.413 4.053 9.712 215 HG3 GLU 31 HG1 GLU 31 11.259 3.196 11.243 216 H PHE 32 HN PHE 32 10.894 1.768 6.570 217 HA PHE 32 HA PHE 32 10.836 4.629 5.852 218 HB2 PHE 32 HB2 PHE 32 11.639 2.997 4.064 219 HB3 PHE 32 HB1 PHE 32 10.002 2.345 4.056 220 HD1 PHE 32 HD2 PHE 32 12.073 5.272 3.298 221 HD2 PHE 32 HD1 PHE 32 8.206 3.527 2.987 222 HE1 PHE 32 HE2 PHE 32 11.428 7.004 1.677 223 HE2 PHE 32 HE1 PHE 32 7.559 5.257 1.360 224 HZ PHE 32 HZ PHE 32 9.167 6.997 0.707 225 H THR 33 HN THR 33 8.947 5.648 6.129 226 HA THR 33 HA THR 33 6.633 3.989 6.889 227 HB THR 33 HB THR 33 7.393 6.725 7.938 228 HG1 THR 33 HG1 THR 33 7.278 4.256 9.363 229 HG21 THR 33 HG21 THR 33 5.117 4.894 8.717 230 HG22 THR 33 HG22 THR 33 4.965 6.428 7.862 231 HG23 THR 33 HG23 THR 33 5.546 6.401 9.527 232 H ILE 34 HN ILE 34 4.750 4.349 5.912 233 HA ILE 34 HA ILE 34 4.526 6.679 4.124 234 HB ILE 34 HB ILE 34 3.389 3.916 3.651 235 HG12 ILE 34 HG12 ILE 34 5.576 5.392 2.173 236 HG13 ILE 34 HG11 ILE 34 5.841 4.070 3.302 237 HG21 ILE 34 HG21 ILE 34 1.935 5.698 2.824 238 HG22 ILE 34 HG22 ILE 34 2.658 4.795 1.493 239 HG23 ILE 34 HG23 ILE 34 3.284 6.387 1.922 240 HD11 ILE 34 HD11 ILE 34 5.967 3.325 0.987 241 HD12 ILE 34 HD12 ILE 34 4.316 3.883 0.715 242 HD13 ILE 34 HD13 ILE 34 4.625 2.561 1.837 243 H THR 35 HN THR 35 2.870 7.969 4.613 244 HA THR 35 HA THR 35 0.726 6.873 6.298 245 HB THR 35 HB THR 35 1.506 9.767 5.902 246 HG1 THR 35 HG1 THR 35 1.976 9.249 8.324 247 HG21 THR 35 HG21 THR 35 -0.875 9.481 6.431 248 HG22 THR 35 HG22 THR 35 -0.006 10.201 7.785 249 HG23 THR 35 HG23 THR 35 -0.447 8.495 7.830 250 H LEU 36 HN LEU 36 -1.176 6.545 5.420 251 HA LEU 36 HA LEU 36 -1.754 7.708 2.799 252 HB2 LEU 36 HB2 LEU 36 -1.916 5.232 3.200 253 HB3 LEU 36 HB1 LEU 36 -3.236 5.551 4.306 254 HG LEU 36 HG LEU 36 -4.472 6.610 2.374 255 HD11 LEU 36 HD11 LEU 36 -3.710 5.891 0.114 256 HD12 LEU 36 HD12 LEU 36 -2.180 5.405 0.843 257 HD13 LEU 36 HD13 LEU 36 -2.679 7.096 0.883 258 HD21 LEU 36 HD21 LEU 36 -5.132 4.460 1.401 259 HD22 LEU 36 HD22 LEU 36 -5.000 4.367 3.157 260 HD23 LEU 36 HD23 LEU 36 -3.725 3.696 2.139 261 H LYS 37 HN LYS 37 -3.099 9.365 2.627 262 HA LYS 37 HA LYS 37 -4.980 9.875 4.840 263 HB2 LYS 37 HB2 LYS 37 -3.175 11.596 4.594 264 HB3 LYS 37 HB1 LYS 37 -3.754 11.917 2.964 265 HG2 LYS 37 HG2 LYS 37 -4.563 13.594 4.510 266 HG3 LYS 37 HG1 LYS 37 -5.905 12.647 3.867 267 HD2 LYS 37 HD2 LYS 37 -6.012 11.346 5.905 268 HD3 LYS 37 HD1 LYS 37 -4.592 12.177 6.545 269 HE2 LYS 37 HE2 LYS 37 -5.823 14.287 6.540 270 HE3 LYS 37 HE1 LYS 37 -7.236 13.469 5.875 271 HZ1 LYS 37 HZ1 LYS 37 -5.993 12.845 8.505 272 HZ2 LYS 37 HZ2 LYS 37 -7.411 12.162 7.874 273 HZ3 LYS 37 HZ3 LYS 37 -7.376 13.799 8.284 274 H HIS 38 HN HIS 38 -6.950 9.293 4.250 275 HA HIS 38 HA HIS 38 -7.674 9.355 1.418 276 HB2 HIS 38 HB2 HIS 38 -8.134 7.288 2.672 277 HB3 HIS 38 HB1 HIS 38 -9.155 8.191 3.790 278 HD1 HIS 38 HD1 HIS 38 -9.800 9.369 0.420 279 HD2 HIS 38 HD2 HIS 38 -11.037 6.156 2.750 280 HE1 HIS 38 HE1 HIS 38 -11.933 8.551 -0.628 281 HE2 HIS 38 HE2 HIS 38 -12.517 6.459 0.661 282 H THR 39 HN THR 39 -8.150 11.408 0.914 283 HA THR 39 HA THR 39 -9.904 13.022 2.520 284 HB THR 39 HB THR 39 -8.166 14.078 1.133 285 HG1 THR 39 HG1 THR 39 -9.940 15.373 1.546 286 HG21 THR 39 HG21 THR 39 -8.137 12.547 -0.755 287 HG22 THR 39 HG22 THR 39 -8.431 14.193 -1.314 288 HG23 THR 39 HG23 THR 39 -9.765 13.044 -1.210 289 H GLY 40 HN GLY 40 -12.059 13.562 2.018 290 HA2 GLY 40 HA2 GLY 40 -13.797 13.280 0.166 291 HA3 GLY 40 HA1 GLY 40 -13.394 11.568 0.306 292 H THR 41 HN THR 41 -15.792 11.543 0.713 293 HA THR 41 HA THR 41 -16.312 11.905 3.587 294 HB THR 41 HB THR 41 -18.315 12.302 1.356 295 HG1 THR 41 HG1 THR 41 -17.052 14.220 3.063 296 HG21 THR 41 HG21 THR 41 -19.752 13.207 3.134 297 HG22 THR 41 HG22 THR 41 -18.530 12.780 4.330 298 HG23 THR 41 HG23 THR 41 -19.351 11.513 3.420 299 H GLN 42 HN GLN 42 -16.540 9.853 0.809 300 HA GLN 42 HA GLN 42 -18.581 8.121 1.621 301 HB2 GLN 42 HB2 GLN 42 -16.264 7.822 -0.254 302 HB3 GLN 42 HB1 GLN 42 -17.283 6.438 0.120 303 HG2 GLN 42 HG2 GLN 42 -18.193 9.047 -1.087 304 HG3 GLN 42 HG1 GLN 42 -18.017 7.505 -1.925 305 HE21 GLN 42 HE21 GLN 42 -19.540 5.893 -1.596 306 HE22 GLN 42 HE22 GLN 42 -21.055 6.196 -0.818 307 HA PRO 43 HA PRO 43 -16.732 5.866 4.938 308 HB2 PRO 43 HB2 PRO 43 -18.532 3.862 5.082 309 HB3 PRO 43 HB1 PRO 43 -18.915 5.509 5.593 310 HG2 PRO 43 HG2 PRO 43 -19.564 4.127 3.016 311 HG3 PRO 43 HG1 PRO 43 -20.608 5.141 4.034 312 HD2 PRO 43 HD2 PRO 43 -19.368 6.070 1.802 313 HD3 PRO 43 HD1 PRO 43 -19.708 7.101 3.212 314 H LYS 44 HN LYS 44 -15.856 3.753 5.424 315 HA LYS 44 HA LYS 44 -14.063 3.075 3.371 316 HB2 LYS 44 HB2 LYS 44 -13.125 1.463 4.958 317 HB3 LYS 44 HB1 LYS 44 -13.418 3.019 5.717 318 HG2 LYS 44 HG2 LYS 44 -15.401 2.165 6.795 319 HG3 LYS 44 HG1 LYS 44 -15.233 0.628 5.949 320 HD2 LYS 44 HD2 LYS 44 -13.127 0.210 7.090 321 HD3 LYS 44 HD1 LYS 44 -13.236 1.773 7.899 322 HE2 LYS 44 HE2 LYS 44 -15.265 -0.439 8.188 323 HE3 LYS 44 HE1 LYS 44 -13.933 -0.165 9.308 324 HZ1 LYS 44 HZ1 LYS 44 -15.982 0.833 10.102 325 HZ2 LYS 44 HZ2 LYS 44 -16.100 1.774 8.702 326 HZ3 LYS 44 HZ3 LYS 44 -14.823 2.025 9.784 327 H ALA 45 HN ALA 45 -17.057 1.588 4.323 328 HA ALA 45 HA ALA 45 -16.491 -0.928 3.052 329 HB1 ALA 45 HB1 ALA 45 -18.808 -1.477 3.523 330 HB2 ALA 45 HB2 ALA 45 -19.135 0.200 3.957 331 HB3 ALA 45 HB3 ALA 45 -18.041 -0.769 4.946 332 H SER 46 HN SER 46 -17.536 2.133 1.987 333 HA SER 46 HA SER 46 -18.745 1.018 -0.443 334 HB2 SER 46 HB2 SER 46 -20.106 2.691 0.726 335 HB3 SER 46 HB1 SER 46 -18.782 3.850 0.644 336 HG SER 46 HG SER 46 -20.550 3.010 -1.330 337 H MET 47 HN MET 47 -16.433 3.516 0.580 338 HA MET 47 HA MET 47 -14.865 2.977 -1.840 339 HB2 MET 47 HB2 MET 47 -16.272 4.996 -2.243 340 HB3 MET 47 HB1 MET 47 -15.546 5.754 -0.837 341 HG2 MET 47 HG2 MET 47 -14.468 6.633 -2.758 342 HG3 MET 47 HG1 MET 47 -13.323 5.550 -1.966 343 HE1 MET 47 HE1 MET 47 -15.588 4.610 -5.872 344 HE2 MET 47 HE2 MET 47 -15.599 6.182 -5.073 345 HE3 MET 47 HE3 MET 47 -16.411 4.806 -4.325 346 H GLY 48 HN GLY 48 -13.927 1.751 0.056 347 HA2 GLY 48 HA2 GLY 48 -12.291 3.398 1.824 348 HA3 GLY 48 HA1 GLY 48 -12.513 1.653 1.930 349 H HIS 49 HN HIS 49 -10.021 3.030 2.037 350 HA HIS 49 HA HIS 49 -8.757 1.806 -0.309 351 HB2 HIS 49 HB2 HIS 49 -8.074 4.557 0.768 352 HB3 HIS 49 HB1 HIS 49 -7.145 3.695 -0.453 353 HD2 HIS 49 HD2 HIS 49 -9.502 6.446 -0.369 354 HE1 HIS 49 HE1 HIS 49 -10.384 4.440 -3.983 355 HE2 HIS 49 HE2 HIS 49 -10.455 6.656 -2.772 356 H ASN 50 HN ASN 50 -6.776 0.902 0.053 357 HA ASN 50 HA ASN 50 -5.385 1.562 2.528 358 HB2 ASN 50 HB2 ASN 50 -4.789 -0.780 2.975 359 HB3 ASN 50 HB1 ASN 50 -6.528 -0.552 3.051 360 HD21 ASN 50 HD21 ASN 50 -6.809 -2.780 2.777 361 HD22 ASN 50 HD22 ASN 50 -6.614 -3.539 1.232 362 H LEU 51 HN LEU 51 -3.073 0.776 2.397 363 HA LEU 51 HA LEU 51 -2.185 0.574 -0.392 364 HB2 LEU 51 HB2 LEU 51 -1.877 2.894 0.565 365 HB3 LEU 51 HB1 LEU 51 -0.764 2.193 1.729 366 HG LEU 51 HG LEU 51 -0.248 1.791 -1.191 367 HD11 LEU 51 HD11 LEU 51 1.033 3.878 -1.241 368 HD12 LEU 51 HD12 LEU 51 0.428 4.284 0.364 369 HD13 LEU 51 HD13 LEU 51 -0.688 4.174 -0.998 370 HD21 LEU 51 HD21 LEU 51 1.568 2.195 1.185 371 HD22 LEU 51 HD22 LEU 51 2.065 1.776 -0.454 372 HD23 LEU 51 HD23 LEU 51 1.118 0.633 0.499 373 H VAL 52 HN VAL 52 -1.405 -1.388 -0.563 374 HA VAL 52 HA VAL 52 0.147 -2.492 1.678 375 HB VAL 52 HB VAL 52 -0.338 -4.704 0.843 376 HG11 VAL 52 HG11 VAL 52 -2.850 -3.037 0.869 377 HG12 VAL 52 HG12 VAL 52 -2.019 -3.677 2.285 378 HG13 VAL 52 HG13 VAL 52 -2.760 -4.779 1.126 379 HG21 VAL 52 HG21 VAL 52 -1.832 -3.378 -1.418 380 HG22 VAL 52 HG22 VAL 52 -1.720 -5.113 -1.116 381 HG23 VAL 52 HG23 VAL 52 -0.277 -4.199 -1.556 382 H ILE 53 HN ILE 53 2.190 -3.274 1.337 383 HA ILE 53 HA ILE 53 3.266 -2.961 -1.387 384 HB ILE 53 HB ILE 53 4.649 -2.426 1.242 385 HG12 ILE 53 HG12 ILE 53 4.031 -0.707 -1.174 386 HG13 ILE 53 HG11 ILE 53 3.304 -0.574 0.424 387 HG21 ILE 53 HG21 ILE 53 6.154 -3.672 -0.238 388 HG22 ILE 53 HG22 ILE 53 6.688 -2.003 -0.043 389 HG23 ILE 53 HG23 ILE 53 5.866 -2.499 -1.522 390 HD11 ILE 53 HD11 ILE 53 5.439 0.118 1.350 391 HD12 ILE 53 HD12 ILE 53 4.956 1.170 0.018 392 HD13 ILE 53 HD13 ILE 53 6.194 -0.060 -0.234 393 H ALA 54 HN ALA 54 3.953 -4.736 -2.288 394 HA ALA 54 HA ALA 54 4.992 -6.929 -0.677 395 HB1 ALA 54 HB1 ALA 54 2.648 -7.312 -2.534 396 HB2 ALA 54 HB2 ALA 54 2.548 -7.290 -0.775 397 HB3 ALA 54 HB3 ALA 54 3.456 -8.562 -1.592 398 H LYS 55 HN LYS 55 5.934 -8.620 -1.998 399 HA LYS 55 HA LYS 55 7.495 -7.601 -4.139 400 HB2 LYS 55 HB2 LYS 55 8.263 -9.340 -2.564 401 HB3 LYS 55 HB1 LYS 55 7.040 -10.439 -3.180 402 HG2 LYS 55 HG2 LYS 55 8.131 -10.541 -5.314 403 HG3 LYS 55 HG1 LYS 55 9.301 -9.313 -4.816 404 HD2 LYS 55 HD2 LYS 55 10.286 -10.760 -3.220 405 HD3 LYS 55 HD1 LYS 55 8.950 -11.914 -3.337 406 HE2 LYS 55 HE2 LYS 55 10.973 -11.291 -5.486 407 HE3 LYS 55 HE1 LYS 55 10.914 -12.752 -4.499 408 HZ1 LYS 55 HZ1 LYS 55 8.594 -13.053 -5.445 409 HZ2 LYS 55 HZ2 LYS 55 9.893 -13.327 -6.499 410 HZ3 LYS 55 HZ3 LYS 55 9.026 -11.882 -6.594 411 H ALA 56 HN ALA 56 7.040 -7.565 -6.276 412 HA ALA 56 HA ALA 56 4.456 -7.609 -7.168 413 HB1 ALA 56 HB1 ALA 56 5.335 -7.481 -9.416 414 HB2 ALA 56 HB2 ALA 56 6.896 -8.090 -8.865 415 HB3 ALA 56 HB3 ALA 56 6.322 -6.516 -8.318 416 H GLU 57 HN GLU 57 6.837 -10.166 -7.756 417 HA GLU 57 HA GLU 57 5.259 -11.858 -9.297 418 HB2 GLU 57 HB2 GLU 57 7.640 -12.132 -9.162 419 HB3 GLU 57 HB1 GLU 57 7.560 -12.425 -7.434 420 HG2 GLU 57 HG2 GLU 57 6.263 -14.493 -7.924 421 HG3 GLU 57 HG1 GLU 57 6.599 -14.226 -9.634 422 H ASP 58 HN ASP 58 5.383 -11.452 -5.834 423 HA ASP 58 HA ASP 58 3.739 -13.855 -5.451 424 HB2 ASP 58 HB2 ASP 58 5.292 -12.209 -3.438 425 HB3 ASP 58 HB1 ASP 58 4.365 -13.657 -3.066 426 H MET 59 HN MET 59 3.411 -10.623 -5.883 427 HA MET 59 HA MET 59 1.582 -9.959 -3.792 428 HB2 MET 59 HB2 MET 59 3.059 -8.315 -4.978 429 HB3 MET 59 HB1 MET 59 2.026 -8.493 -6.393 430 HG2 MET 59 HG2 MET 59 0.138 -7.630 -5.176 431 HG3 MET 59 HG1 MET 59 1.090 -7.548 -3.696 432 HE1 MET 59 HE1 MET 59 0.762 -3.775 -4.379 433 HE2 MET 59 HE2 MET 59 0.806 -5.028 -3.139 434 HE3 MET 59 HE3 MET 59 -0.439 -5.067 -4.388 435 H ASP 60 HN ASP 60 1.305 -11.336 -6.945 436 HA ASP 60 HA ASP 60 -1.365 -10.775 -7.540 437 HB2 ASP 60 HB2 ASP 60 0.232 -11.849 -9.107 438 HB3 ASP 60 HB1 ASP 60 0.168 -13.315 -8.137 439 H GLY 61 HN GLY 61 0.102 -13.358 -5.645 440 HA2 GLY 61 HA2 GLY 61 -2.317 -14.659 -4.934 441 HA3 GLY 61 HA1 GLY 61 -0.773 -14.823 -4.111 442 H VAL 62 HN VAL 62 -0.836 -11.766 -3.833 443 HA VAL 62 HA VAL 62 -1.935 -11.764 -1.195 444 HB VAL 62 HB VAL 62 -0.794 -9.524 -2.880 445 HG11 VAL 62 HG11 VAL 62 -1.598 -9.462 0.033 446 HG12 VAL 62 HG12 VAL 62 -2.416 -8.615 -1.281 447 HG13 VAL 62 HG13 VAL 62 -0.766 -8.175 -0.838 448 HG21 VAL 62 HG21 VAL 62 0.816 -11.232 -2.181 449 HG22 VAL 62 HG22 VAL 62 0.317 -11.019 -0.504 450 HG23 VAL 62 HG23 VAL 62 1.114 -9.700 -1.359 451 H PHE 63 HN PHE 63 -2.841 -10.240 -4.275 452 HA PHE 63 HA PHE 63 -5.117 -8.886 -3.319 453 HB2 PHE 63 HB2 PHE 63 -4.503 -9.950 -6.089 454 HB3 PHE 63 HB1 PHE 63 -5.876 -8.911 -5.713 455 HD1 PHE 63 HD1 PHE 63 -5.332 -6.631 -4.624 456 HD2 PHE 63 HD2 PHE 63 -2.480 -9.026 -6.684 457 HE1 PHE 63 HE1 PHE 63 -3.913 -4.652 -4.950 458 HE2 PHE 63 HE2 PHE 63 -1.055 -7.050 -7.013 459 HZ PHE 63 HZ PHE 63 -1.797 -4.842 -6.159 460 H LYS 64 HN LYS 64 -4.764 -12.062 -4.842 461 HA LYS 64 HA LYS 64 -7.497 -12.726 -4.854 462 HB2 LYS 64 HB2 LYS 64 -5.007 -14.434 -4.927 463 HB3 LYS 64 HB1 LYS 64 -6.628 -15.087 -5.128 464 HG2 LYS 64 HG2 LYS 64 -6.928 -14.063 -7.184 465 HG3 LYS 64 HG1 LYS 64 -5.683 -12.854 -6.879 466 HD2 LYS 64 HD2 LYS 64 -4.974 -14.519 -8.539 467 HD3 LYS 64 HD1 LYS 64 -3.953 -14.540 -7.103 468 HE2 LYS 64 HE2 LYS 64 -5.181 -16.481 -6.264 469 HE3 LYS 64 HE1 LYS 64 -6.204 -16.454 -7.698 470 HZ1 LYS 64 HZ1 LYS 64 -3.271 -16.911 -7.658 471 HZ2 LYS 64 HZ2 LYS 64 -4.224 -16.836 -9.053 472 HZ3 LYS 64 HZ3 LYS 64 -4.457 -18.082 -7.937 473 H ASP 65 HN ASP 65 -4.952 -13.282 -2.483 474 HA ASP 65 HA ASP 65 -6.568 -14.866 -0.742 475 HB2 ASP 65 HB2 ASP 65 -4.118 -15.009 -0.711 476 HB3 ASP 65 HB1 ASP 65 -4.017 -13.331 -0.197 477 H GLY 66 HN GLY 66 -5.758 -11.458 -0.995 478 HA2 GLY 66 HA2 GLY 66 -6.706 -10.669 1.548 479 HA3 GLY 66 HA1 GLY 66 -6.411 -9.604 0.182 480 H VAL 67 HN VAL 67 -8.322 -11.024 -1.544 481 HA VAL 67 HA VAL 67 -10.625 -9.526 -0.994 482 HB VAL 67 HB VAL 67 -10.305 -11.971 -2.747 483 HG11 VAL 67 HG11 VAL 67 -12.654 -11.677 -2.157 484 HG12 VAL 67 HG12 VAL 67 -12.377 -11.264 -3.849 485 HG13 VAL 67 HG13 VAL 67 -12.578 -9.987 -2.650 486 HG21 VAL 67 HG21 VAL 67 -10.243 -10.328 -4.573 487 HG22 VAL 67 HG22 VAL 67 -8.925 -10.087 -3.427 488 HG23 VAL 67 HG23 VAL 67 -10.332 -9.023 -3.391 489 H GLY 68 HN GLY 68 -9.706 -12.777 -0.076 490 HA2 GLY 68 HA2 GLY 68 -12.296 -13.501 0.931 491 HA3 GLY 68 HA1 GLY 68 -10.794 -14.376 1.192 492 H ALA 69 HN ALA 69 -9.963 -11.398 2.064 493 HA ALA 69 HA ALA 69 -10.622 -11.918 4.883 494 HB1 ALA 69 HB1 ALA 69 -8.339 -10.313 3.741 495 HB2 ALA 69 HB2 ALA 69 -8.231 -11.977 4.315 496 HB3 ALA 69 HB3 ALA 69 -8.612 -10.678 5.444 497 H ALA 70 HN ALA 70 -12.648 -10.766 3.629 498 HA ALA 70 HA ALA 70 -12.594 -7.995 3.213 499 HB1 ALA 70 HB1 ALA 70 -14.346 -9.476 2.343 500 HB2 ALA 70 HB2 ALA 70 -15.020 -8.114 3.237 501 HB3 ALA 70 HB3 ALA 70 -14.951 -9.710 3.984 502 H ASP 71 HN ASP 71 -13.040 -9.877 6.113 503 HA ASP 71 HA ASP 71 -14.098 -7.677 7.637 504 HB2 ASP 71 HB2 ASP 71 -13.184 -10.439 8.441 505 HB3 ASP 71 HB1 ASP 71 -13.827 -9.261 9.579 506 H THR 72 HN THR 72 -10.964 -8.709 6.778 507 HA THR 72 HA THR 72 -9.845 -7.141 9.002 508 HB THR 72 HB THR 72 -7.727 -8.480 8.617 509 HG1 THR 72 HG1 THR 72 -7.894 -9.615 6.814 510 HG21 THR 72 HG21 THR 72 -9.181 -8.877 10.537 511 HG22 THR 72 HG22 THR 72 -8.523 -10.398 9.936 512 HG23 THR 72 HG23 THR 72 -10.188 -9.951 9.568 513 H ASP 73 HN ASP 73 -10.651 -5.700 6.930 514 HA ASP 73 HA ASP 73 -9.966 -3.987 5.615 515 HB2 ASP 73 HB2 ASP 73 -7.227 -4.654 6.713 516 HB3 ASP 73 HB1 ASP 73 -7.647 -3.178 5.850 517 H TYR 74 HN TYR 74 -9.873 -6.823 4.647 518 HA TYR 74 HA TYR 74 -9.371 -7.994 2.794 519 HB2 TYR 74 HB2 TYR 74 -8.872 -5.221 1.728 520 HB3 TYR 74 HB1 TYR 74 -8.752 -6.662 0.719 521 HD1 TYR 74 HD1 TYR 74 -10.860 -8.248 0.810 522 HD2 TYR 74 HD2 TYR 74 -10.890 -4.127 1.855 523 HE1 TYR 74 HE1 TYR 74 -13.287 -8.169 0.407 524 HE2 TYR 74 HE2 TYR 74 -13.313 -4.036 1.462 525 HH TYR 74 HH TYR 74 -15.224 -6.820 1.097 526 H VAL 75 HN VAL 75 -7.350 -7.549 4.796 527 HA VAL 75 HA VAL 75 -5.116 -8.535 3.175 528 HB VAL 75 HB VAL 75 -3.474 -7.540 4.710 529 HG11 VAL 75 HG11 VAL 75 -5.344 -5.511 3.502 530 HG12 VAL 75 HG12 VAL 75 -3.994 -6.310 2.697 531 HG13 VAL 75 HG13 VAL 75 -3.691 -5.187 4.023 532 HG21 VAL 75 HG21 VAL 75 -5.807 -6.098 5.961 533 HG22 VAL 75 HG22 VAL 75 -4.104 -5.861 6.348 534 HG23 VAL 75 HG23 VAL 75 -4.882 -7.402 6.706 535 H LYS 76 HN LYS 76 -4.027 -10.287 4.124 536 HA LYS 76 HA LYS 76 -5.588 -11.633 6.159 537 HB2 LYS 76 HB2 LYS 76 -4.778 -12.849 4.148 538 HB3 LYS 76 HB1 LYS 76 -3.125 -12.588 4.689 539 HG2 LYS 76 HG2 LYS 76 -3.416 -13.985 6.571 540 HG3 LYS 76 HG1 LYS 76 -5.165 -14.043 6.344 541 HD2 LYS 76 HD2 LYS 76 -4.145 -16.114 5.595 542 HD3 LYS 76 HD1 LYS 76 -4.840 -15.243 4.231 543 HE2 LYS 76 HE2 LYS 76 -2.589 -14.364 3.700 544 HE3 LYS 76 HE1 LYS 76 -1.930 -15.346 5.007 545 HZ1 LYS 76 HZ1 LYS 76 -2.725 -17.325 3.864 546 HZ2 LYS 76 HZ2 LYS 76 -1.677 -16.443 2.877 547 HZ3 LYS 76 HZ3 LYS 76 -3.348 -16.374 2.605 548 HA PRO 77 HA PRO 77 -2.847 -10.303 9.433 549 HB2 PRO 77 HB2 PRO 77 -3.842 -11.947 11.361 550 HB3 PRO 77 HB1 PRO 77 -4.652 -10.456 10.856 551 HG2 PRO 77 HG2 PRO 77 -5.211 -13.287 10.050 552 HG3 PRO 77 HG1 PRO 77 -6.354 -11.995 10.466 553 HD2 PRO 77 HD2 PRO 77 -5.812 -12.685 7.903 554 HD3 PRO 77 HD1 PRO 77 -6.199 -11.014 8.375 555 H ASP 78 HN ASP 78 -1.277 -11.470 7.965 556 HA ASP 78 HA ASP 78 0.011 -13.644 9.385 557 HB2 ASP 78 HB2 ASP 78 -1.641 -14.790 7.927 558 HB3 ASP 78 HB1 ASP 78 -0.942 -13.987 6.528 559 H ASP 79 HN ASP 79 -0.126 -11.767 6.384 560 HA ASP 79 HA ASP 79 1.414 -10.567 5.242 561 HB2 ASP 79 HB2 ASP 79 2.434 -10.172 8.054 562 HB3 ASP 79 HB1 ASP 79 3.024 -9.265 6.664 563 H ALA 80 HN ALA 80 1.989 -13.048 4.752 564 HA ALA 80 HA ALA 80 4.798 -13.535 5.302 565 HB1 ALA 80 HB1 ALA 80 3.205 -15.414 5.310 566 HB2 ALA 80 HB2 ALA 80 4.494 -15.629 4.128 567 HB3 ALA 80 HB3 ALA 80 2.887 -15.130 3.600 568 H ARG 81 HN ARG 81 2.703 -12.569 2.654 569 HA ARG 81 HA ARG 81 5.060 -12.198 0.937 570 HB2 ARG 81 HB2 ARG 81 2.115 -12.091 0.251 571 HB3 ARG 81 HB1 ARG 81 3.434 -11.897 -0.893 572 HG2 ARG 81 HG2 ARG 81 4.154 -14.182 -0.495 573 HG3 ARG 81 HG1 ARG 81 2.881 -14.387 0.712 574 HD2 ARG 81 HD2 ARG 81 1.181 -14.030 -0.984 575 HD3 ARG 81 HD1 ARG 81 2.425 -13.734 -2.198 576 HE ARG 81 HE ARG 81 2.491 -16.320 -0.867 577 HH11 ARG 81 HH11 ARG 81 1.587 -14.439 -3.671 578 HH12 ARG 81 HH12 ARG 81 1.357 -15.826 -4.691 579 HH21 ARG 81 HH21 ARG 81 2.184 -18.156 -2.206 580 HH22 ARG 81 HH22 ARG 81 1.695 -17.938 -3.857 581 H VAL 82 HN VAL 82 2.682 -10.541 2.767 582 HA VAL 82 HA VAL 82 3.113 -7.986 1.476 583 HB VAL 82 HB VAL 82 1.502 -8.670 3.945 584 HG11 VAL 82 HG11 VAL 82 1.524 -6.165 2.263 585 HG12 VAL 82 HG12 VAL 82 2.176 -6.325 3.893 586 HG13 VAL 82 HG13 VAL 82 0.442 -6.491 3.617 587 HG21 VAL 82 HG21 VAL 82 -0.455 -8.508 2.499 588 HG22 VAL 82 HG22 VAL 82 0.640 -9.769 1.934 589 HG23 VAL 82 HG23 VAL 82 0.585 -8.213 1.107 590 H VAL 83 HN VAL 83 4.555 -6.527 2.103 591 HA VAL 83 HA VAL 83 6.249 -7.090 4.389 592 HB VAL 83 HB VAL 83 6.371 -4.796 2.420 593 HG11 VAL 83 HG11 VAL 83 7.498 -4.289 4.515 594 HG12 VAL 83 HG12 VAL 83 8.673 -4.524 3.221 595 HG13 VAL 83 HG13 VAL 83 8.404 -5.797 4.409 596 HG21 VAL 83 HG21 VAL 83 7.877 -7.408 2.471 597 HG22 VAL 83 HG22 VAL 83 8.207 -6.060 1.383 598 HG23 VAL 83 HG23 VAL 83 6.669 -6.916 1.284 599 H ALA 84 HN ALA 84 3.917 -4.680 3.330 600 HA ALA 84 HA ALA 84 3.360 -3.938 6.053 601 HB1 ALA 84 HB1 ALA 84 4.503 -1.881 4.167 602 HB2 ALA 84 HB2 ALA 84 5.295 -2.527 5.604 603 HB3 ALA 84 HB3 ALA 84 3.833 -1.556 5.766 604 H HIS 85 HN HIS 85 1.414 -2.745 6.257 605 HA HIS 85 HA HIS 85 -0.095 -2.073 3.883 606 HB2 HIS 85 HB2 HIS 85 -2.018 -3.562 4.519 607 HB3 HIS 85 HB1 HIS 85 -0.606 -4.425 3.923 608 HD1 HIS 85 HD1 HIS 85 -2.856 -4.151 6.835 609 HD2 HIS 85 HD2 HIS 85 0.866 -5.795 5.990 610 HE1 HIS 85 HE1 HIS 85 -2.386 -5.766 8.701 611 HE2 HIS 85 HE2 HIS 85 -0.263 -6.941 8.004 612 H THR 86 HN THR 86 -1.672 -0.598 4.278 613 HA THR 86 HA THR 86 -2.019 0.325 7.019 614 HB THR 86 HB THR 86 -3.374 2.139 6.004 615 HG1 THR 86 HG1 THR 86 -4.221 1.532 4.149 616 HG21 THR 86 HG21 THR 86 -1.584 3.338 4.984 617 HG22 THR 86 HG22 THR 86 -0.769 1.848 4.524 618 HG23 THR 86 HG23 THR 86 -0.869 2.307 6.223 619 H LYS 87 HN LYS 87 -4.312 0.835 7.689 620 HA LYS 87 HA LYS 87 -6.021 -1.458 7.119 621 HB2 LYS 87 HB2 LYS 87 -6.207 0.717 9.217 622 HB3 LYS 87 HB1 LYS 87 -7.325 -0.634 9.075 623 HG2 LYS 87 HG2 LYS 87 -5.584 -2.207 9.564 624 HG3 LYS 87 HG1 LYS 87 -4.365 -0.935 9.526 625 HD2 LYS 87 HD2 LYS 87 -6.665 -0.956 11.467 626 HD3 LYS 87 HD1 LYS 87 -5.100 -1.694 11.817 627 HE2 LYS 87 HE2 LYS 87 -5.589 1.205 11.142 628 HE3 LYS 87 HE1 LYS 87 -5.238 0.558 12.743 629 HZ1 LYS 87 HZ1 LYS 87 -3.091 -0.240 11.835 630 HZ2 LYS 87 HZ2 LYS 87 -3.242 1.442 11.825 631 HZ3 LYS 87 HZ3 LYS 87 -3.426 0.573 10.391 632 H LEU 88 HN LEU 88 -8.387 -1.057 6.845 633 HA LEU 88 HA LEU 88 -8.797 0.697 4.652 634 HB2 LEU 88 HB2 LEU 88 -10.635 -0.981 6.320 635 HB3 LEU 88 HB1 LEU 88 -11.284 0.142 5.144 636 HG LEU 88 HG LEU 88 -9.551 -2.268 4.610 637 HD11 LEU 88 HD11 LEU 88 -11.470 -3.055 3.377 638 HD12 LEU 88 HD12 LEU 88 -12.328 -1.549 3.687 639 HD13 LEU 88 HD13 LEU 88 -11.962 -2.644 5.019 640 HD21 LEU 88 HD21 LEU 88 -8.796 -0.516 3.126 641 HD22 LEU 88 HD22 LEU 88 -10.456 -0.114 2.700 642 HD23 LEU 88 HD23 LEU 88 -9.774 -1.665 2.213 643 H ILE 89 HN ILE 89 -9.009 2.770 4.724 644 HA ILE 89 HA ILE 89 -10.208 3.995 7.114 645 HB ILE 89 HB ILE 89 -8.923 6.056 6.433 646 HG12 ILE 89 HG12 ILE 89 -7.416 4.082 4.699 647 HG13 ILE 89 HG11 ILE 89 -8.475 5.351 4.092 648 HG21 ILE 89 HG21 ILE 89 -8.239 4.632 8.285 649 HG22 ILE 89 HG22 ILE 89 -6.832 5.270 7.433 650 HG23 ILE 89 HG23 ILE 89 -7.338 3.602 7.174 651 HD11 ILE 89 HD11 ILE 89 -5.920 5.739 5.634 652 HD12 ILE 89 HD12 ILE 89 -6.988 7.032 5.092 653 HD13 ILE 89 HD13 ILE 89 -6.163 6.016 3.911 654 H GLY 90 HN GLY 90 -11.862 5.380 6.901 655 HA2 GLY 90 HA2 GLY 90 -13.133 5.569 4.290 656 HA3 GLY 90 HA1 GLY 90 -13.814 6.078 5.832 657 H GLY 91 HN GLY 91 -14.425 7.883 4.260 658 HA2 GLY 91 HA2 GLY 91 -12.476 9.696 3.322 659 HA3 GLY 91 HA1 GLY 91 -14.180 10.050 3.546 660 H GLY 92 HN GLY 92 -11.076 10.738 4.570 661 HA2 GLY 92 HA2 GLY 92 -10.852 12.754 5.939 662 HA3 GLY 92 HA1 GLY 92 -12.147 12.125 6.952 663 H GLU 93 HN GLU 93 -10.712 9.401 6.463 664 HA GLU 93 HA GLU 93 -9.244 9.591 8.960 665 HB2 GLU 93 HB2 GLU 93 -10.130 7.275 7.256 666 HB3 GLU 93 HB1 GLU 93 -9.089 7.066 8.659 667 HG2 GLU 93 HG2 GLU 93 -10.832 8.045 10.080 668 HG3 GLU 93 HG1 GLU 93 -11.874 8.217 8.666 669 H GLU 94 HN GLU 94 -7.248 8.172 9.133 670 HA GLU 94 HA GLU 94 -5.566 8.072 6.783 671 HB2 GLU 94 HB2 GLU 94 -3.775 9.444 7.834 672 HB3 GLU 94 HB1 GLU 94 -5.218 10.378 7.456 673 HG2 GLU 94 HG2 GLU 94 -5.913 10.247 9.791 674 HG3 GLU 94 HG1 GLU 94 -4.460 9.318 10.164 675 H SER 95 HN SER 95 -3.790 6.704 7.051 676 HA SER 95 HA SER 95 -3.121 5.694 9.673 677 HB2 SER 95 HB2 SER 95 -5.081 4.278 8.898 678 HB3 SER 95 HB1 SER 95 -4.052 3.709 7.581 679 HG SER 95 HG SER 95 -3.342 3.514 10.322 680 H SER 96 HN SER 96 -1.094 4.597 9.672 681 HA SER 96 HA SER 96 0.422 4.982 7.181 682 HB2 SER 96 HB2 SER 96 2.370 5.543 8.733 683 HB3 SER 96 HB1 SER 96 1.084 6.750 8.640 684 HG SER 96 HG SER 96 1.329 6.530 10.759 685 H LEU 97 HN LEU 97 2.316 3.666 6.948 686 HA LEU 97 HA LEU 97 2.380 1.264 8.635 687 HB2 LEU 97 HB2 LEU 97 2.876 -0.097 6.637 688 HB3 LEU 97 HB1 LEU 97 1.272 0.601 6.606 689 HG LEU 97 HG LEU 97 2.299 2.429 5.093 690 HD11 LEU 97 HD11 LEU 97 4.238 1.798 3.802 691 HD12 LEU 97 HD12 LEU 97 4.384 0.288 4.694 692 HD13 LEU 97 HD13 LEU 97 4.662 1.822 5.513 693 HD21 LEU 97 HD21 LEU 97 2.115 -0.389 4.043 694 HD22 LEU 97 HD22 LEU 97 1.918 1.098 3.117 695 HD23 LEU 97 HD23 LEU 97 0.740 0.667 4.354 696 H THR 98 HN THR 98 4.496 0.122 8.494 697 HA THR 98 HA THR 98 6.701 1.843 7.635 698 HB THR 98 HB THR 98 6.554 0.606 10.392 699 HG1 THR 98 HG1 THR 98 5.235 2.514 10.095 700 HG21 THR 98 HG21 THR 98 8.628 1.844 10.810 701 HG22 THR 98 HG22 THR 98 8.640 2.387 9.132 702 HG23 THR 98 HG23 THR 98 8.828 0.673 9.506 703 H LEU 99 HN LEU 99 8.354 0.726 6.738 704 HA LEU 99 HA LEU 99 8.431 -2.188 7.090 705 HB2 LEU 99 HB2 LEU 99 8.724 -2.444 4.626 706 HB3 LEU 99 HB1 LEU 99 7.130 -1.903 5.112 707 HG LEU 99 HG LEU 99 8.137 0.481 4.601 708 HD11 LEU 99 HD11 LEU 99 10.401 -0.279 4.134 709 HD12 LEU 99 HD12 LEU 99 9.667 0.433 2.697 710 HD13 LEU 99 HD13 LEU 99 9.798 -1.319 2.844 711 HD21 LEU 99 HD21 LEU 99 7.226 -1.484 2.513 712 HD22 LEU 99 HD22 LEU 99 7.304 0.263 2.289 713 HD23 LEU 99 HD23 LEU 99 6.211 -0.425 3.491 714 H ASP 100 HN ASP 100 10.427 -3.177 6.298 715 HA ASP 100 HA ASP 100 12.724 -1.407 6.686 716 HB2 ASP 100 HB2 ASP 100 12.540 -3.496 8.041 717 HB3 ASP 100 HB1 ASP 100 12.627 -4.431 6.555 718 HA PRO 101 HA PRO 101 13.164 -1.182 2.216 719 HB2 PRO 101 HB2 PRO 101 15.839 -0.227 3.083 720 HB3 PRO 101 HB1 PRO 101 14.698 0.507 1.953 721 HG2 PRO 101 HG2 PRO 101 15.024 1.488 4.413 722 HG3 PRO 101 HG1 PRO 101 13.427 1.449 3.640 723 HD2 PRO 101 HD2 PRO 101 14.536 -0.284 5.798 724 HD3 PRO 101 HD1 PRO 101 12.871 0.274 5.535 725 H ALA 102 HN ALA 102 15.363 -2.746 4.449 726 HA ALA 102 HA ALA 102 17.181 -3.835 2.616 727 HB1 ALA 102 HB1 ALA 102 17.566 -3.773 5.036 728 HB2 ALA 102 HB2 ALA 102 17.777 -5.397 4.381 729 HB3 ALA 102 HB3 ALA 102 16.305 -4.984 5.262 730 H LYS 103 HN LYS 103 13.971 -4.815 3.543 731 HA LYS 103 HA LYS 103 14.203 -7.481 2.502 732 HB2 LYS 103 HB2 LYS 103 12.660 -6.859 4.352 733 HB3 LYS 103 HB1 LYS 103 11.719 -5.909 3.212 734 HG2 LYS 103 HG2 LYS 103 11.218 -7.931 1.939 735 HG3 LYS 103 HG1 LYS 103 12.160 -8.884 3.088 736 HD2 LYS 103 HD2 LYS 103 10.636 -8.166 4.887 737 HD3 LYS 103 HD1 LYS 103 9.677 -7.285 3.699 738 HE2 LYS 103 HE2 LYS 103 8.673 -9.447 4.198 739 HE3 LYS 103 HE1 LYS 103 9.211 -9.371 2.520 740 HZ1 LYS 103 HZ1 LYS 103 9.787 -11.479 3.554 741 HZ2 LYS 103 HZ2 LYS 103 10.686 -10.678 4.743 742 HZ3 LYS 103 HZ3 LYS 103 11.181 -10.623 3.130 743 H LEU 104 HN LEU 104 13.406 -4.375 1.226 744 HA LEU 104 HA LEU 104 11.945 -5.433 -1.044 745 HB2 LEU 104 HB2 LEU 104 12.677 -2.689 -0.103 746 HB3 LEU 104 HB1 LEU 104 12.185 -2.926 -1.770 747 HG LEU 104 HG LEU 104 10.012 -3.799 -1.012 748 HD11 LEU 104 HD11 LEU 104 9.354 -3.638 1.327 749 HD12 LEU 104 HD12 LEU 104 10.990 -3.146 1.765 750 HD13 LEU 104 HD13 LEU 104 10.697 -4.762 1.121 751 HD21 LEU 104 HD21 LEU 104 10.763 -1.136 0.182 752 HD22 LEU 104 HD22 LEU 104 9.119 -1.696 -0.122 753 HD23 LEU 104 HD23 LEU 104 10.222 -1.431 -1.472 754 H ALA 105 HN ALA 105 15.119 -5.157 -0.228 755 HA ALA 105 HA ALA 105 16.190 -4.284 -2.739 756 HB1 ALA 105 HB1 ALA 105 17.559 -5.605 -0.399 757 HB2 ALA 105 HB2 ALA 105 17.383 -3.869 -0.652 758 HB3 ALA 105 HB3 ALA 105 18.363 -4.827 -1.762 759 H ASP 106 HN ASP 106 14.714 -7.087 -1.862 760 HA ASP 106 HA ASP 106 16.525 -8.920 -3.189 761 HB2 ASP 106 HB2 ASP 106 13.839 -9.341 -1.878 762 HB3 ASP 106 HB1 ASP 106 14.729 -10.622 -2.689 763 H GLY 107 HN GLY 107 13.919 -6.923 -4.153 764 HA2 GLY 107 HA2 GLY 107 14.032 -7.749 -6.832 765 HA3 GLY 107 HA1 GLY 107 12.687 -8.581 -6.066 766 H ASP 108 HN ASP 108 11.370 -7.449 -7.627 767 HA ASP 108 HA ASP 108 11.093 -4.586 -7.185 768 HB2 ASP 108 HB2 ASP 108 9.635 -4.607 -9.171 769 HB3 ASP 108 HB1 ASP 108 11.223 -5.282 -9.511 770 H TYR 109 HN TYR 109 9.658 -3.808 -5.883 771 HA TYR 109 HA TYR 109 7.431 -5.517 -5.036 772 HB2 TYR 109 HB2 TYR 109 8.909 -3.294 -3.626 773 HB3 TYR 109 HB1 TYR 109 7.356 -3.890 -3.054 774 HD1 TYR 109 HD1 TYR 109 10.621 -5.316 -4.190 775 HD2 TYR 109 HD2 TYR 109 7.441 -5.463 -1.371 776 HE1 TYR 109 HE1 TYR 109 11.789 -7.100 -2.970 777 HE2 TYR 109 HE2 TYR 109 8.596 -7.246 -0.146 778 HH TYR 109 HH TYR 109 10.337 -9.060 -0.748 779 H LYS 110 HN LYS 110 5.362 -4.540 -4.690 780 HA LYS 110 HA LYS 110 4.955 -2.068 -6.243 781 HB2 LYS 110 HB2 LYS 110 2.957 -4.327 -6.146 782 HB3 LYS 110 HB1 LYS 110 2.969 -2.933 -7.220 783 HG2 LYS 110 HG2 LYS 110 4.957 -3.826 -8.345 784 HG3 LYS 110 HG1 LYS 110 4.923 -5.225 -7.271 785 HD2 LYS 110 HD2 LYS 110 3.902 -5.763 -9.416 786 HD3 LYS 110 HD1 LYS 110 2.703 -5.823 -8.120 787 HE2 LYS 110 HE2 LYS 110 1.895 -3.614 -8.749 788 HE3 LYS 110 HE1 LYS 110 3.124 -3.508 -10.007 789 HZ1 LYS 110 HZ1 LYS 110 0.984 -4.135 -10.913 790 HZ2 LYS 110 HZ2 LYS 110 0.918 -5.490 -9.905 791 HZ3 LYS 110 HZ3 LYS 110 2.097 -5.391 -11.112 792 H PHE 111 HN PHE 111 2.989 -0.913 -5.681 793 HA PHE 111 HA PHE 111 1.903 -1.616 -3.042 794 HB2 PHE 111 HB2 PHE 111 1.752 0.674 -2.380 795 HB3 PHE 111 HB1 PHE 111 3.398 0.427 -2.940 796 HD1 PHE 111 HD2 PHE 111 4.139 1.406 -5.070 797 HD2 PHE 111 HD1 PHE 111 0.255 2.152 -3.499 798 HE1 PHE 111 HE2 PHE 111 3.900 3.330 -6.581 799 HE2 PHE 111 HE1 PHE 111 0.011 4.081 -5.009 800 HZ PHE 111 HZ PHE 111 1.835 4.672 -6.549 801 H ALA 112 HN ALA 112 -0.327 -1.364 -2.824 802 HA ALA 112 HA ALA 112 -1.891 -0.270 -4.969 803 HB1 ALA 112 HB1 ALA 112 -1.934 -3.261 -4.608 804 HB2 ALA 112 HB2 ALA 112 -1.141 -2.422 -5.940 805 HB3 ALA 112 HB3 ALA 112 -2.892 -2.319 -5.750 806 H CYS 113 HN CYS 113 -4.194 -0.653 -4.664 807 HA CYS 113 HA CYS 113 -4.937 -0.904 -1.837 808 HB2 CYS 113 HB2 CYS 113 -5.621 1.119 -3.233 809 HB3 CYS 113 HB1 CYS 113 -6.637 0.031 -4.169 810 H THR 114 HN THR 114 -5.801 -2.818 -1.186 811 HA THR 114 HA THR 114 -6.232 -4.833 -3.241 812 HB THR 114 HB THR 114 -6.410 -6.433 -1.337 813 HG1 THR 114 HG1 THR 114 -6.235 -5.736 0.719 814 HG21 THR 114 HG21 THR 114 -3.960 -4.665 -1.323 815 HG22 THR 114 HG22 THR 114 -4.258 -6.008 -2.426 816 HG23 THR 114 HG23 THR 114 -4.042 -6.313 -0.701 817 H PHE 115 HN PHE 115 -8.190 -2.582 -2.066 818 HA PHE 115 HA PHE 115 -10.533 -3.969 -1.317 819 HB2 PHE 115 HB2 PHE 115 -10.030 -1.484 -1.046 820 HB3 PHE 115 HB1 PHE 115 -10.407 -1.304 -2.753 821 HD1 PHE 115 HD2 PHE 115 -12.712 -1.625 -3.549 822 HD2 PHE 115 HD1 PHE 115 -11.730 -1.787 0.586 823 HE1 PHE 115 HE2 PHE 115 -15.086 -1.337 -2.978 824 HE2 PHE 115 HE1 PHE 115 -14.103 -1.497 1.164 825 HZ PHE 115 HZ PHE 115 -15.785 -1.273 -0.619 826 HA PRO 116 HA PRO 116 -11.401 -6.019 -5.186 827 HB2 PRO 116 HB2 PRO 116 -14.208 -5.850 -4.199 828 HB3 PRO 116 HB1 PRO 116 -13.299 -7.257 -4.771 829 HG2 PRO 116 HG2 PRO 116 -13.749 -6.902 -2.175 830 HG3 PRO 116 HG1 PRO 116 -12.191 -7.526 -2.751 831 HD2 PRO 116 HD2 PRO 116 -12.894 -4.790 -1.765 832 HD3 PRO 116 HD1 PRO 116 -11.400 -5.729 -1.535 833 H GLY 117 HN GLY 117 -11.335 -4.854 -6.979 834 HA2 GLY 117 HA2 GLY 117 -12.547 -3.745 -8.735 835 HA3 GLY 117 HA1 GLY 117 -13.535 -2.966 -7.504 836 H HIS 118 HN HIS 118 -10.554 -2.827 -6.255 837 HA HIS 118 HA HIS 118 -10.127 -0.135 -7.356 838 HB2 HIS 118 HB2 HIS 118 -9.570 -1.333 -4.655 839 HB3 HIS 118 HB1 HIS 118 -8.762 0.139 -5.179 840 HD2 HIS 118 HD2 HIS 118 -12.541 -0.405 -5.975 841 HE1 HIS 118 HE1 HIS 118 -12.148 2.622 -3.045 842 HE2 HIS 118 HE2 HIS 118 -13.717 1.530 -4.716 843 H GLY 119 HN GLY 119 -8.592 -3.218 -6.832 844 HA2 GLY 119 HA2 GLY 119 -5.904 -2.349 -6.929 845 HA3 GLY 119 HA1 GLY 119 -6.464 -3.995 -7.180 846 H ALA 120 HN ALA 120 -8.186 -2.687 -9.461 847 HA ALA 120 HA ALA 120 -6.342 -3.435 -11.510 848 HB1 ALA 120 HB1 ALA 120 -9.081 -2.205 -11.743 849 HB2 ALA 120 HB2 ALA 120 -8.714 -3.929 -11.723 850 HB3 ALA 120 HB3 ALA 120 -8.158 -2.925 -13.061 851 H LEU 121 HN LEU 121 -7.535 -0.392 -10.238 852 HA LEU 121 HA LEU 121 -5.873 1.027 -12.209 853 HB2 LEU 121 HB2 LEU 121 -8.217 1.710 -12.179 854 HB3 LEU 121 HB1 LEU 121 -8.118 2.039 -10.457 855 HG LEU 121 HG LEU 121 -6.489 3.847 -10.919 856 HD11 LEU 121 HD11 LEU 121 -6.259 4.647 -13.240 857 HD12 LEU 121 HD12 LEU 121 -7.100 3.201 -13.797 858 HD13 LEU 121 HD13 LEU 121 -5.540 3.058 -12.989 859 HD21 LEU 121 HD21 LEU 121 -8.846 4.366 -10.667 860 HD22 LEU 121 HD22 LEU 121 -9.114 4.061 -12.384 861 HD23 LEU 121 HD23 LEU 121 -8.107 5.416 -11.877 862 H MET 122 HN MET 122 -6.584 0.759 -8.765 863 HA MET 122 HA MET 122 -4.545 2.674 -8.043 864 HB2 MET 122 HB2 MET 122 -6.612 1.085 -6.611 865 HB3 MET 122 HB1 MET 122 -5.207 1.596 -5.687 866 HG2 MET 122 HG2 MET 122 -5.740 3.818 -5.843 867 HG3 MET 122 HG1 MET 122 -6.656 3.603 -7.334 868 HE1 MET 122 HE1 MET 122 -10.086 2.441 -6.257 869 HE2 MET 122 HE2 MET 122 -8.770 1.484 -6.936 870 HE3 MET 122 HE3 MET 122 -9.061 3.120 -7.521 871 H ASN 123 HN ASN 123 -2.860 1.458 -9.174 872 HA ASN 123 HA ASN 123 -1.420 -0.149 -7.243 873 HB2 ASN 123 HB2 ASN 123 -0.860 -1.930 -8.855 874 HB3 ASN 123 HB1 ASN 123 -2.594 -1.874 -8.543 875 HD21 ASN 123 HD21 ASN 123 -3.981 -1.321 -10.175 876 HD22 ASN 123 HD22 ASN 123 -3.480 -1.156 -11.824 877 H GLY 124 HN GLY 124 0.773 0.022 -7.435 878 HA2 GLY 124 HA2 GLY 124 1.953 1.197 -9.815 879 HA3 GLY 124 HA1 GLY 124 2.019 2.205 -8.371 880 H LYS 125 HN LYS 125 4.410 1.825 -9.034 881 HA LYS 125 HA LYS 125 5.366 -0.736 -7.973 882 HB2 LYS 125 HB2 LYS 125 6.628 1.228 -9.875 883 HB3 LYS 125 HB1 LYS 125 7.514 -0.111 -9.160 884 HG2 LYS 125 HG2 LYS 125 5.036 -0.402 -10.848 885 HG3 LYS 125 HG1 LYS 125 6.689 -0.577 -11.439 886 HD2 LYS 125 HD2 LYS 125 5.558 -2.221 -9.186 887 HD3 LYS 125 HD1 LYS 125 5.499 -2.728 -10.873 888 HE2 LYS 125 HE2 LYS 125 8.058 -2.008 -9.457 889 HE3 LYS 125 HE1 LYS 125 7.416 -3.647 -9.505 890 HZ1 LYS 125 HZ1 LYS 125 8.038 -2.042 -11.924 891 HZ2 LYS 125 HZ2 LYS 125 7.605 -3.674 -11.868 892 HZ3 LYS 125 HZ3 LYS 125 9.091 -3.174 -11.240 893 H VAL 126 HN VAL 126 6.779 -0.870 -6.344 894 HA VAL 126 HA VAL 126 7.640 1.635 -5.063 895 HB VAL 126 HB VAL 126 7.447 -1.151 -3.883 896 HG11 VAL 126 HG11 VAL 126 8.174 1.465 -2.566 897 HG12 VAL 126 HG12 VAL 126 9.291 0.150 -2.932 898 HG13 VAL 126 HG13 VAL 126 7.999 -0.090 -1.755 899 HG21 VAL 126 HG21 VAL 126 5.781 1.310 -3.374 900 HG22 VAL 126 HG22 VAL 126 5.649 -0.219 -2.506 901 HG23 VAL 126 HG23 VAL 126 5.258 -0.143 -4.223 902 H THR 127 HN THR 127 9.654 2.153 -5.556 903 HA THR 127 HA THR 127 11.432 0.044 -6.551 904 HB THR 127 HB THR 127 11.782 3.031 -6.796 905 HG1 THR 127 HG1 THR 127 9.846 1.866 -7.835 906 HG21 THR 127 HG21 THR 127 13.304 2.445 -8.617 907 HG22 THR 127 HG22 THR 127 13.000 0.732 -8.330 908 HG23 THR 127 HG23 THR 127 13.823 1.698 -7.106 909 H LEU 128 HN LEU 128 13.057 -0.639 -5.347 910 HA LEU 128 HA LEU 128 13.731 0.730 -2.886 911 HB2 LEU 128 HB2 LEU 128 13.495 -1.836 -3.331 912 HB3 LEU 128 HB1 LEU 128 15.124 -1.705 -3.962 913 HG LEU 128 HG LEU 128 14.867 -2.483 -1.553 914 HD11 LEU 128 HD11 LEU 128 16.813 -1.287 -0.783 915 HD12 LEU 128 HD12 LEU 128 16.591 -0.068 -2.039 916 HD13 LEU 128 HD13 LEU 128 16.998 -1.728 -2.481 917 HD21 LEU 128 HD21 LEU 128 14.518 -0.845 0.147 918 HD22 LEU 128 HD22 LEU 128 13.148 -0.790 -0.963 919 HD23 LEU 128 HD23 LEU 128 14.405 0.446 -1.046 920 H VAL 129 HN VAL 129 15.076 2.407 -3.015 921 HA VAL 129 HA VAL 129 17.163 2.362 -5.091 922 HB VAL 129 HB VAL 129 17.189 4.790 -5.029 923 HG11 VAL 129 HG11 VAL 129 14.968 5.251 -5.952 924 HG12 VAL 129 HG12 VAL 129 14.381 3.721 -5.300 925 HG13 VAL 129 HG13 VAL 129 15.619 3.728 -6.556 926 HG21 VAL 129 HG21 VAL 129 15.539 6.059 -3.720 927 HG22 VAL 129 HG22 VAL 129 16.654 5.159 -2.691 928 HG23 VAL 129 HG23 VAL 129 15.014 4.561 -2.949 929 H ASP 130 HN ASP 130 19.070 3.848 -4.440 930 HA ASP 130 HA ASP 130 20.274 2.688 -2.137 931 HB2 ASP 130 HB2 ASP 130 21.161 4.859 -4.033 932 HB3 ASP 130 HB1 ASP 130 22.133 4.372 -2.648 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 16.392 12.871 -1.760 2 H2 ALA 1 HT2 ALA 1 16.034 13.463 -0.221 3 H3 ALA 1 HT3 ALA 1 14.922 13.651 -1.479 4 HA ALA 1 HA ALA 1 14.214 11.906 -0.008 5 HB1 ALA 1 HB1 ALA 1 13.705 11.741 -2.405 6 HB2 ALA 1 HB2 ALA 1 13.902 10.155 -1.660 7 HB3 ALA 1 HB3 ALA 1 15.197 10.831 -2.649 8 H THR 2 HN THR 2 17.250 10.978 -1.634 9 HA THR 2 HA THR 2 17.695 8.615 -0.225 10 HB THR 2 HB THR 2 19.837 10.420 -1.357 11 HG1 THR 2 HG1 THR 2 18.881 10.085 -3.211 12 HG21 THR 2 HG21 THR 2 20.659 8.500 -0.065 13 HG22 THR 2 HG22 THR 2 21.009 8.305 -1.784 14 HG23 THR 2 HG23 THR 2 19.676 7.415 -1.049 15 H ALA 3 HN ALA 3 18.067 8.308 1.851 16 HA ALA 3 HA ALA 3 18.814 8.510 3.982 17 HB1 ALA 3 HB1 ALA 3 20.981 9.528 4.370 18 HB2 ALA 3 HB2 ALA 3 20.916 10.322 2.797 19 HB3 ALA 3 HB3 ALA 3 21.019 8.564 2.894 20 H GLY 4 HN GLY 4 16.958 10.583 2.723 21 HA2 GLY 4 HA2 GLY 4 17.212 12.545 4.919 22 HA3 GLY 4 HA1 GLY 4 16.757 13.032 3.292 23 H ASN 5 HN ASN 5 15.008 10.996 2.624 24 HA ASN 5 HA ASN 5 12.739 11.667 4.337 25 HB2 ASN 5 HB2 ASN 5 12.909 10.458 1.572 26 HB3 ASN 5 HB1 ASN 5 11.403 10.575 2.471 27 HD21 ASN 5 HD21 ASN 5 12.015 13.145 3.654 28 HD22 ASN 5 HD22 ASN 5 11.876 14.307 2.381 29 H CYS 6 HN CYS 6 12.416 10.318 5.977 30 HA CYS 6 HA CYS 6 12.741 7.439 5.494 31 HB2 CYS 6 HB2 CYS 6 12.459 8.951 8.105 32 HB3 CYS 6 HB1 CYS 6 12.660 7.206 7.958 33 H ALA 7 HN ALA 7 10.507 9.549 4.959 34 HA ALA 7 HA ALA 7 8.321 7.740 5.558 35 HB1 ALA 7 HB1 ALA 7 6.936 9.482 6.564 36 HB2 ALA 7 HB2 ALA 7 8.278 10.621 6.461 37 HB3 ALA 7 HB3 ALA 7 8.396 9.215 7.517 38 H ALA 8 HN ALA 8 6.389 8.268 4.359 39 HA ALA 8 HA ALA 8 6.609 10.342 2.319 40 HB1 ALA 8 HB1 ALA 8 6.078 7.453 1.625 41 HB2 ALA 8 HB2 ALA 8 7.553 8.345 1.254 42 HB3 ALA 8 HB3 ALA 8 6.025 8.814 0.507 43 H THR 9 HN THR 9 4.630 11.161 1.712 44 HA THR 9 HA THR 9 2.314 10.026 3.127 45 HB THR 9 HB THR 9 2.695 12.880 2.203 46 HG1 THR 9 HG1 THR 9 4.007 11.939 4.070 47 HG21 THR 9 HG21 THR 9 0.745 13.337 3.629 48 HG22 THR 9 HG22 THR 9 0.599 11.614 3.974 49 HG23 THR 9 HG23 THR 9 0.349 12.209 2.333 50 H VAL 10 HN VAL 10 0.881 9.069 1.898 51 HA VAL 10 HA VAL 10 0.644 9.876 -0.930 52 HB VAL 10 HB VAL 10 -0.074 7.225 0.345 53 HG11 VAL 10 HG11 VAL 10 -0.118 8.081 -2.548 54 HG12 VAL 10 HG12 VAL 10 -1.522 7.737 -1.537 55 HG13 VAL 10 HG13 VAL 10 -0.402 6.443 -1.962 56 HG21 VAL 10 HG21 VAL 10 2.354 7.611 0.209 57 HG22 VAL 10 HG22 VAL 10 2.197 7.893 -1.526 58 HG23 VAL 10 HG23 VAL 10 1.821 6.307 -0.851 59 H GLU 11 HN GLU 11 -1.380 10.358 -1.732 60 HA GLU 11 HA GLU 11 -3.517 10.511 0.287 61 HB2 GLU 11 HB2 GLU 11 -3.055 12.316 -2.092 62 HB3 GLU 11 HB1 GLU 11 -4.386 12.449 -0.955 63 HG2 GLU 11 HG2 GLU 11 -2.910 13.038 0.824 64 HG3 GLU 11 HG1 GLU 11 -1.492 12.692 -0.170 65 H SER 12 HN SER 12 -5.394 9.570 -0.127 66 HA SER 12 HA SER 12 -5.917 8.634 -2.869 67 HB2 SER 12 HB2 SER 12 -7.367 6.869 -1.669 68 HB3 SER 12 HB1 SER 12 -5.620 6.658 -1.585 69 HG SER 12 HG SER 12 -5.811 6.753 0.493 70 H ASN 13 HN ASN 13 -7.903 9.102 -3.728 71 HA ASN 13 HA ASN 13 -9.605 10.843 -2.064 72 HB2 ASN 13 HB2 ASN 13 -10.228 11.958 -4.263 73 HB3 ASN 13 HB1 ASN 13 -8.584 12.230 -3.705 74 HD21 ASN 13 HD21 ASN 13 -9.519 9.172 -5.139 75 HD22 ASN 13 HD22 ASN 13 -8.640 9.395 -6.614 76 H ASP 14 HN ASP 14 -11.877 11.074 -3.059 77 HA ASP 14 HA ASP 14 -13.092 8.499 -3.044 78 HB2 ASP 14 HB2 ASP 14 -14.245 11.221 -3.678 79 HB3 ASP 14 HB1 ASP 14 -15.205 9.757 -3.523 80 H ASN 15 HN ASN 15 -11.529 10.099 -5.477 81 HA ASN 15 HA ASN 15 -13.300 9.236 -7.612 82 HB2 ASN 15 HB2 ASN 15 -10.687 10.759 -7.743 83 HB3 ASN 15 HB1 ASN 15 -11.718 10.395 -9.121 84 HD21 ASN 15 HD21 ASN 15 -12.111 12.507 -9.649 85 HD22 ASN 15 HD22 ASN 15 -13.066 13.567 -8.667 86 H MET 16 HN MET 16 -11.492 7.551 -5.788 87 HA MET 16 HA MET 16 -10.469 5.541 -5.902 88 HB2 MET 16 HB2 MET 16 -11.689 5.541 -8.661 89 HB3 MET 16 HB1 MET 16 -10.958 4.138 -7.900 90 HG2 MET 16 HG2 MET 16 -12.619 4.230 -6.122 91 HG3 MET 16 HG1 MET 16 -13.346 5.649 -6.875 92 HE1 MET 16 HE1 MET 16 -12.545 1.856 -7.225 93 HE2 MET 16 HE2 MET 16 -11.885 2.475 -8.738 94 HE3 MET 16 HE3 MET 16 -13.311 1.440 -8.756 95 H GLN 17 HN GLN 17 -8.529 7.202 -6.025 96 HA GLN 17 HA GLN 17 -6.615 5.854 -7.613 97 HB2 GLN 17 HB2 GLN 17 -5.840 7.654 -9.029 98 HB3 GLN 17 HB1 GLN 17 -7.537 7.348 -9.355 99 HG2 GLN 17 HG2 GLN 17 -8.216 9.319 -8.304 100 HG3 GLN 17 HG1 GLN 17 -6.660 9.521 -7.491 101 HE21 GLN 17 HE21 GLN 17 -8.161 11.340 -9.278 102 HE22 GLN 17 HE22 GLN 17 -7.072 11.717 -10.567 103 H PHE 18 HN PHE 18 -4.485 6.412 -7.149 104 HA PHE 18 HA PHE 18 -4.073 7.876 -4.664 105 HB2 PHE 18 HB2 PHE 18 -2.176 6.271 -6.408 106 HB3 PHE 18 HB1 PHE 18 -1.723 7.038 -4.893 107 HD1 PHE 18 HD2 PHE 18 -3.375 6.354 -2.871 108 HD2 PHE 18 HD1 PHE 18 -2.581 4.030 -6.348 109 HE1 PHE 18 HE2 PHE 18 -3.997 4.316 -1.644 110 HE2 PHE 18 HE1 PHE 18 -3.199 1.984 -5.130 111 HZ PHE 18 HZ PHE 18 -3.910 2.127 -2.772 112 H ASN 19 HN ASN 19 -2.551 9.635 -4.552 113 HA ASN 19 HA ASN 19 -2.626 11.320 -6.875 114 HB2 ASN 19 HB2 ASN 19 -1.546 12.997 -5.500 115 HB3 ASN 19 HB1 ASN 19 -2.838 12.234 -4.579 116 HD21 ASN 19 HD21 ASN 19 -0.396 13.677 -3.736 117 HD22 ASN 19 HD22 ASN 19 0.443 12.589 -2.683 118 H THR 20 HN THR 20 -0.622 8.834 -6.001 119 HA THR 20 HA THR 20 1.311 9.620 -8.010 120 HB THR 20 HB THR 20 2.362 10.498 -5.994 121 HG1 THR 20 HG1 THR 20 4.268 8.983 -6.019 122 HG21 THR 20 HG21 THR 20 3.015 9.002 -4.148 123 HG22 THR 20 HG22 THR 20 2.101 7.696 -4.902 124 HG23 THR 20 HG23 THR 20 1.264 9.133 -4.312 125 H LYS 21 HN LYS 21 2.387 7.864 -8.941 126 HA LYS 21 HA LYS 21 1.426 5.214 -8.089 127 HB2 LYS 21 HB2 LYS 21 2.225 6.163 -10.844 128 HB3 LYS 21 HB1 LYS 21 1.855 4.493 -10.441 129 HG2 LYS 21 HG2 LYS 21 -0.422 5.287 -9.716 130 HG3 LYS 21 HG1 LYS 21 -0.012 6.850 -10.432 131 HD2 LYS 21 HD2 LYS 21 0.400 5.718 -12.588 132 HD3 LYS 21 HD1 LYS 21 -0.093 4.190 -11.858 133 HE2 LYS 21 HE2 LYS 21 -1.967 5.024 -13.051 134 HE3 LYS 21 HE1 LYS 21 -2.303 5.268 -11.341 135 HZ1 LYS 21 HZ1 LYS 21 -1.353 7.330 -13.253 136 HZ2 LYS 21 HZ2 LYS 21 -1.600 7.581 -11.601 137 HZ3 LYS 21 HZ3 LYS 21 -2.908 7.208 -12.600 138 H ASP 22 HN ASP 22 3.957 7.036 -7.605 139 HA ASP 22 HA ASP 22 5.859 4.811 -7.878 140 HB2 ASP 22 HB2 ASP 22 6.354 7.691 -8.649 141 HB3 ASP 22 HB1 ASP 22 7.657 6.545 -8.354 142 H ILE 23 HN ILE 23 6.794 4.322 -6.021 143 HA ILE 23 HA ILE 23 7.387 6.485 -4.120 144 HB ILE 23 HB ILE 23 6.272 3.763 -3.413 145 HG12 ILE 23 HG12 ILE 23 5.279 6.539 -2.716 146 HG13 ILE 23 HG11 ILE 23 4.637 5.561 -4.033 147 HG21 ILE 23 HG21 ILE 23 6.596 4.358 -1.072 148 HG22 ILE 23 HG22 ILE 23 7.350 5.880 -1.547 149 HG23 ILE 23 HG23 ILE 23 8.140 4.350 -1.927 150 HD11 ILE 23 HD11 ILE 23 4.544 4.918 -1.095 151 HD12 ILE 23 HD12 ILE 23 3.985 3.847 -2.378 152 HD13 ILE 23 HD13 ILE 23 3.194 5.400 -2.121 153 H GLN 24 HN GLN 24 9.460 6.553 -3.627 154 HA GLN 24 HA GLN 24 11.105 4.192 -4.218 155 HB2 GLN 24 HB2 GLN 24 11.876 7.109 -4.072 156 HB3 GLN 24 HB1 GLN 24 13.005 5.786 -4.336 157 HG2 GLN 24 HG2 GLN 24 11.900 5.212 -6.409 158 HG3 GLN 24 HG1 GLN 24 10.701 6.478 -6.146 159 HE21 GLN 24 HE21 GLN 24 12.709 8.326 -5.061 160 HE22 GLN 24 HE22 GLN 24 13.607 8.894 -6.424 161 H VAL 25 HN VAL 25 11.951 3.133 -2.588 162 HA VAL 25 HA VAL 25 11.992 4.421 0.055 163 HB VAL 25 HB VAL 25 12.168 1.481 -0.645 164 HG11 VAL 25 HG11 VAL 25 13.385 1.997 1.403 165 HG12 VAL 25 HG12 VAL 25 11.906 1.106 1.768 166 HG13 VAL 25 HG13 VAL 25 11.977 2.847 2.039 167 HG21 VAL 25 HG21 VAL 25 9.954 2.379 -1.076 168 HG22 VAL 25 HG22 VAL 25 9.910 3.100 0.531 169 HG23 VAL 25 HG23 VAL 25 9.920 1.347 0.353 170 H SER 26 HN SER 26 13.874 5.150 0.731 171 HA SER 26 HA SER 26 16.276 4.527 -0.721 172 HB2 SER 26 HB2 SER 26 15.691 6.827 0.160 173 HB3 SER 26 HB1 SER 26 16.013 6.214 1.780 174 HG SER 26 HG SER 26 17.831 6.417 -0.390 175 H LYS 27 HN LYS 27 17.624 2.942 -0.274 176 HA LYS 27 HA LYS 27 17.338 1.314 2.060 177 HB2 LYS 27 HB2 LYS 27 19.176 0.006 1.167 178 HB3 LYS 27 HB1 LYS 27 18.048 0.398 -0.122 179 HG2 LYS 27 HG2 LYS 27 19.523 2.126 -0.940 180 HG3 LYS 27 HG1 LYS 27 20.633 1.849 0.403 181 HD2 LYS 27 HD2 LYS 27 21.463 0.768 -1.601 182 HD3 LYS 27 HD1 LYS 27 21.003 -0.449 -0.410 183 HE2 LYS 27 HE2 LYS 27 18.887 -0.801 -1.582 184 HE3 LYS 27 HE1 LYS 27 19.325 0.437 -2.758 185 HZ1 LYS 27 HZ1 LYS 27 21.220 -0.937 -3.410 186 HZ2 LYS 27 HZ2 LYS 27 19.758 -1.755 -3.630 187 HZ3 LYS 27 HZ3 LYS 27 20.745 -2.132 -2.310 188 H ALA 28 HN ALA 28 18.716 4.260 1.661 189 HA ALA 28 HA ALA 28 20.978 3.908 3.421 190 HB1 ALA 28 HB1 ALA 28 19.693 6.429 2.375 191 HB2 ALA 28 HB2 ALA 28 21.055 5.585 1.639 192 HB3 ALA 28 HB3 ALA 28 21.232 6.330 3.227 193 H CYS 29 HN CYS 29 17.722 3.986 3.823 194 HA CYS 29 HA CYS 29 17.884 5.186 6.505 195 HB2 CYS 29 HB2 CYS 29 15.452 4.710 4.756 196 HB3 CYS 29 HB1 CYS 29 15.444 5.487 6.336 197 H LYS 30 HN LYS 30 17.082 3.994 8.259 198 HA LYS 30 HA LYS 30 17.064 1.118 7.825 199 HB2 LYS 30 HB2 LYS 30 18.448 2.039 9.624 200 HB3 LYS 30 HB1 LYS 30 17.024 2.741 10.378 201 HG2 LYS 30 HG2 LYS 30 16.123 0.506 10.770 202 HG3 LYS 30 HG1 LYS 30 17.546 -0.202 10.004 203 HD2 LYS 30 HD2 LYS 30 17.661 1.589 12.419 204 HD3 LYS 30 HD1 LYS 30 17.595 -0.171 12.510 205 HE2 LYS 30 HE2 LYS 30 19.730 1.432 11.106 206 HE3 LYS 30 HE1 LYS 30 19.891 0.695 12.697 207 HZ1 LYS 30 HZ1 LYS 30 19.517 -1.478 11.651 208 HZ2 LYS 30 HZ2 LYS 30 20.890 -0.706 11.039 209 HZ3 LYS 30 HZ3 LYS 30 19.466 -0.739 10.132 210 H GLU 31 HN GLU 31 14.865 3.686 8.636 211 HA GLU 31 HA GLU 31 12.670 1.736 8.604 212 HB2 GLU 31 HB2 GLU 31 12.955 4.048 10.535 213 HB3 GLU 31 HB1 GLU 31 11.491 3.101 10.329 214 HG2 GLU 31 HG2 GLU 31 12.600 1.127 11.129 215 HG3 GLU 31 HG1 GLU 31 14.138 1.984 11.214 216 H PHE 32 HN PHE 32 11.159 2.240 7.167 217 HA PHE 32 HA PHE 32 10.916 5.053 6.329 218 HB2 PHE 32 HB2 PHE 32 12.017 3.464 4.651 219 HB3 PHE 32 HB1 PHE 32 10.442 2.692 4.513 220 HD1 PHE 32 HD2 PHE 32 12.368 5.745 3.820 221 HD2 PHE 32 HD1 PHE 32 8.642 3.744 3.352 222 HE1 PHE 32 HE2 PHE 32 11.691 7.403 2.136 223 HE2 PHE 32 HE1 PHE 32 7.960 5.400 1.668 224 HZ PHE 32 HZ PHE 32 9.555 7.224 1.024 225 H THR 33 HN THR 33 8.966 5.862 6.683 226 HA THR 33 HA THR 33 6.747 3.989 7.179 227 HB THR 33 HB THR 33 7.123 6.804 8.223 228 HG1 THR 33 HG1 THR 33 7.224 4.322 9.640 229 HG21 THR 33 HG21 THR 33 4.761 6.222 7.945 230 HG22 THR 33 HG22 THR 33 5.192 6.311 9.652 231 HG23 THR 33 HG23 THR 33 5.012 4.741 8.870 232 H ILE 34 HN ILE 34 4.990 4.094 5.953 233 HA ILE 34 HA ILE 34 4.718 6.374 4.112 234 HB ILE 34 HB ILE 34 3.605 3.576 3.802 235 HG12 ILE 34 HG12 ILE 34 5.859 4.967 2.330 236 HG13 ILE 34 HG11 ILE 34 6.057 3.683 3.515 237 HG21 ILE 34 HG21 ILE 34 2.170 5.287 2.809 238 HG22 ILE 34 HG22 ILE 34 2.940 4.305 1.564 239 HG23 ILE 34 HG23 ILE 34 3.542 5.927 1.907 240 HD11 ILE 34 HD11 ILE 34 4.851 2.149 2.037 241 HD12 ILE 34 HD12 ILE 34 6.286 2.824 1.267 242 HD13 ILE 34 HD13 ILE 34 4.688 3.437 0.845 243 H THR 35 HN THR 35 3.082 7.698 4.497 244 HA THR 35 HA THR 35 0.909 6.769 6.244 245 HB THR 35 HB THR 35 1.921 9.575 5.740 246 HG1 THR 35 HG1 THR 35 1.960 7.947 8.091 247 HG21 THR 35 HG21 THR 35 0.340 10.252 7.500 248 HG22 THR 35 HG22 THR 35 -0.298 8.609 7.553 249 HG23 THR 35 HG23 THR 35 -0.497 9.587 6.097 250 H LEU 36 HN LEU 36 -1.041 6.549 5.392 251 HA LEU 36 HA LEU 36 -1.543 7.682 2.730 252 HB2 LEU 36 HB2 LEU 36 -1.739 5.219 3.043 253 HB3 LEU 36 HB1 LEU 36 -3.023 5.497 4.199 254 HG LEU 36 HG LEU 36 -4.342 6.595 2.367 255 HD11 LEU 36 HD11 LEU 36 -3.647 6.067 0.046 256 HD12 LEU 36 HD12 LEU 36 -2.088 5.538 0.675 257 HD13 LEU 36 HD13 LEU 36 -2.590 7.218 0.860 258 HD21 LEU 36 HD21 LEU 36 -4.767 4.284 3.027 259 HD22 LEU 36 HD22 LEU 36 -3.522 3.725 1.911 260 HD23 LEU 36 HD23 LEU 36 -4.982 4.492 1.289 261 H LYS 37 HN LYS 37 -2.825 9.377 2.577 262 HA LYS 37 HA LYS 37 -4.763 9.902 4.737 263 HB2 LYS 37 HB2 LYS 37 -3.567 11.838 2.729 264 HB3 LYS 37 HB1 LYS 37 -4.721 12.262 3.985 265 HG2 LYS 37 HG2 LYS 37 -1.953 11.182 4.484 266 HG3 LYS 37 HG1 LYS 37 -2.397 12.887 4.520 267 HD2 LYS 37 HD2 LYS 37 -4.025 12.365 6.327 268 HD3 LYS 37 HD1 LYS 37 -3.423 10.706 6.332 269 HE2 LYS 37 HE2 LYS 37 -2.331 11.909 8.094 270 HE3 LYS 37 HE1 LYS 37 -1.154 11.591 6.823 271 HZ1 LYS 37 HZ1 LYS 37 -1.512 13.870 6.023 272 HZ2 LYS 37 HZ2 LYS 37 -0.928 13.835 7.607 273 HZ3 LYS 37 HZ3 LYS 37 -2.561 14.156 7.317 274 H HIS 38 HN HIS 38 -6.723 9.159 4.150 275 HA HIS 38 HA HIS 38 -7.473 9.183 1.338 276 HB2 HIS 38 HB2 HIS 38 -8.084 7.229 2.730 277 HB3 HIS 38 HB1 HIS 38 -9.075 8.273 3.747 278 HD1 HIS 38 HD1 HIS 38 -9.767 9.498 0.501 279 HD2 HIS 38 HD2 HIS 38 -10.831 6.041 2.550 280 HE1 HIS 38 HE1 HIS 38 -11.872 8.679 -0.598 281 HE2 HIS 38 HE2 HIS 38 -12.376 6.478 0.531 282 H THR 39 HN THR 39 -7.588 11.315 0.874 283 HA THR 39 HA THR 39 -9.287 13.129 2.289 284 HB THR 39 HB THR 39 -8.917 14.550 0.205 285 HG1 THR 39 HG1 THR 39 -8.390 12.485 -1.022 286 HG21 THR 39 HG21 THR 39 -6.569 15.009 0.748 287 HG22 THR 39 HG22 THR 39 -6.479 13.492 1.643 288 HG23 THR 39 HG23 THR 39 -7.532 14.789 2.209 289 H GLY 40 HN GLY 40 -11.440 13.152 2.149 290 HA2 GLY 40 HA2 GLY 40 -13.078 13.230 0.029 291 HA3 GLY 40 HA1 GLY 40 -12.760 11.502 0.174 292 H THR 41 HN THR 41 -15.226 11.758 0.431 293 HA THR 41 HA THR 41 -15.794 11.804 3.315 294 HB THR 41 HB THR 41 -18.062 12.892 2.637 295 HG1 THR 41 HG1 THR 41 -16.338 13.704 0.508 296 HG21 THR 41 HG21 THR 41 -15.506 14.499 2.740 297 HG22 THR 41 HG22 THR 41 -16.451 13.952 4.125 298 HG23 THR 41 HG23 THR 41 -17.126 15.139 3.010 299 H GLN 42 HN GLN 42 -15.502 9.692 1.214 300 HA GLN 42 HA GLN 42 -18.219 8.586 1.235 301 HB2 GLN 42 HB2 GLN 42 -15.781 7.943 -0.413 302 HB3 GLN 42 HB1 GLN 42 -17.195 6.899 -0.384 303 HG2 GLN 42 HG2 GLN 42 -17.181 9.793 -1.220 304 HG3 GLN 42 HG1 GLN 42 -17.191 8.408 -2.312 305 HE21 GLN 42 HE21 GLN 42 -19.066 7.221 -2.558 306 HE22 GLN 42 HE22 GLN 42 -20.600 7.779 -1.993 307 HA PRO 43 HA PRO 43 -17.202 5.713 4.399 308 HB2 PRO 43 HB2 PRO 43 -19.002 3.763 3.899 309 HB3 PRO 43 HB1 PRO 43 -19.481 5.354 4.505 310 HG2 PRO 43 HG2 PRO 43 -19.520 4.315 1.689 311 HG3 PRO 43 HG1 PRO 43 -20.781 5.208 2.567 312 HD2 PRO 43 HD2 PRO 43 -19.096 6.416 0.825 313 HD3 PRO 43 HD1 PRO 43 -19.713 7.244 2.273 314 H LYS 44 HN LYS 44 -16.134 3.807 4.831 315 HA LYS 44 HA LYS 44 -14.333 2.990 2.796 316 HB2 LYS 44 HB2 LYS 44 -13.288 1.635 4.495 317 HB3 LYS 44 HB1 LYS 44 -13.752 3.170 5.213 318 HG2 LYS 44 HG2 LYS 44 -15.772 2.066 6.139 319 HG3 LYS 44 HG1 LYS 44 -15.169 0.533 5.512 320 HD2 LYS 44 HD2 LYS 44 -13.130 0.811 6.877 321 HD3 LYS 44 HD1 LYS 44 -13.802 2.302 7.539 322 HE2 LYS 44 HE2 LYS 44 -15.726 1.001 8.394 323 HE3 LYS 44 HE1 LYS 44 -14.952 -0.472 7.816 324 HZ1 LYS 44 HZ1 LYS 44 -14.527 -0.151 10.153 325 HZ2 LYS 44 HZ2 LYS 44 -13.870 1.379 9.870 326 HZ3 LYS 44 HZ3 LYS 44 -13.082 0.004 9.292 327 H ALA 45 HN ALA 45 -17.410 1.907 3.584 328 HA ALA 45 HA ALA 45 -17.194 -0.861 3.142 329 HB1 ALA 45 HB1 ALA 45 -19.575 0.929 2.687 330 HB2 ALA 45 HB2 ALA 45 -19.127 0.187 4.222 331 HB3 ALA 45 HB3 ALA 45 -19.609 -0.825 2.861 332 H SER 46 HN SER 46 -17.430 1.842 0.953 333 HA SER 46 HA SER 46 -17.361 -0.053 -1.293 334 HB2 SER 46 HB2 SER 46 -19.617 0.972 -1.071 335 HB3 SER 46 HB1 SER 46 -18.885 2.559 -1.270 336 HG SER 46 HG SER 46 -18.102 0.894 -3.249 337 H MET 47 HN MET 47 -16.454 3.104 -0.017 338 HA MET 47 HA MET 47 -14.431 3.281 -2.151 339 HB2 MET 47 HB2 MET 47 -16.224 5.077 -2.148 340 HB3 MET 47 HB1 MET 47 -15.578 5.607 -0.604 341 HG2 MET 47 HG2 MET 47 -14.730 6.977 -2.425 342 HG3 MET 47 HG1 MET 47 -13.427 6.085 -1.634 343 HE1 MET 47 HE1 MET 47 -16.031 4.575 -4.225 344 HE2 MET 47 HE2 MET 47 -15.199 4.925 -5.737 345 HE3 MET 47 HE3 MET 47 -15.802 6.246 -4.737 346 H GLY 48 HN GLY 48 -13.884 1.732 -0.062 347 HA2 GLY 48 HA2 GLY 48 -12.288 3.276 1.834 348 HA3 GLY 48 HA1 GLY 48 -12.549 1.529 1.865 349 H HIS 49 HN HIS 49 -10.019 2.983 2.031 350 HA HIS 49 HA HIS 49 -8.758 1.732 -0.305 351 HB2 HIS 49 HB2 HIS 49 -8.028 4.457 0.799 352 HB3 HIS 49 HB1 HIS 49 -7.110 3.591 -0.428 353 HD2 HIS 49 HD2 HIS 49 -9.428 6.377 -0.337 354 HE1 HIS 49 HE1 HIS 49 -10.387 4.384 -3.941 355 HE2 HIS 49 HE2 HIS 49 -10.453 6.593 -2.711 356 H ASN 50 HN ASN 50 -6.727 0.893 0.013 357 HA ASN 50 HA ASN 50 -5.458 1.106 2.628 358 HB2 ASN 50 HB2 ASN 50 -6.890 -0.813 2.971 359 HB3 ASN 50 HB1 ASN 50 -6.427 -1.497 1.418 360 HD21 ASN 50 HD21 ASN 50 -5.755 -3.407 2.323 361 HD22 ASN 50 HD22 ASN 50 -4.310 -3.530 3.262 362 H LEU 51 HN LEU 51 -3.259 1.019 2.440 363 HA LEU 51 HA LEU 51 -2.227 0.471 -0.258 364 HB2 LEU 51 HB2 LEU 51 -1.933 2.786 0.688 365 HB3 LEU 51 HB1 LEU 51 -0.907 2.087 1.929 366 HG LEU 51 HG LEU 51 -0.192 1.616 -0.936 367 HD11 LEU 51 HD11 LEU 51 0.375 4.170 0.570 368 HD12 LEU 51 HD12 LEU 51 -0.666 4.009 -0.845 369 HD13 LEU 51 HD13 LEU 51 1.066 3.713 -0.985 370 HD21 LEU 51 HD21 LEU 51 1.423 2.090 1.572 371 HD22 LEU 51 HD22 LEU 51 2.076 1.696 -0.017 372 HD23 LEU 51 HD23 LEU 51 1.080 0.522 0.842 373 H VAL 52 HN VAL 52 -1.384 -1.467 -0.425 374 HA VAL 52 HA VAL 52 0.044 -2.608 1.882 375 HB VAL 52 HB VAL 52 -1.934 -3.901 1.065 376 HG11 VAL 52 HG11 VAL 52 -1.875 -3.436 -1.276 377 HG12 VAL 52 HG12 VAL 52 -1.674 -5.175 -1.054 378 HG13 VAL 52 HG13 VAL 52 -0.278 -4.166 -1.429 379 HG21 VAL 52 HG21 VAL 52 0.712 -5.304 0.706 380 HG22 VAL 52 HG22 VAL 52 -0.840 -6.084 1.007 381 HG23 VAL 52 HG23 VAL 52 -0.122 -5.045 2.236 382 H ILE 53 HN ILE 53 2.081 -3.478 1.609 383 HA ILE 53 HA ILE 53 3.414 -2.826 -0.940 384 HB ILE 53 HB ILE 53 4.630 -3.074 1.822 385 HG12 ILE 53 HG12 ILE 53 3.273 -0.997 1.417 386 HG13 ILE 53 HG11 ILE 53 4.975 -0.690 1.757 387 HG21 ILE 53 HG21 ILE 53 6.697 -2.245 0.744 388 HG22 ILE 53 HG22 ILE 53 5.904 -2.380 -0.824 389 HG23 ILE 53 HG23 ILE 53 6.196 -3.825 0.142 390 HD11 ILE 53 HD11 ILE 53 4.141 0.740 -0.023 391 HD12 ILE 53 HD12 ILE 53 3.688 -0.680 -0.964 392 HD13 ILE 53 HD13 ILE 53 5.386 -0.355 -0.621 393 H ALA 54 HN ALA 54 3.902 -4.531 -2.136 394 HA ALA 54 HA ALA 54 5.006 -6.932 -0.964 395 HB1 ALA 54 HB1 ALA 54 2.612 -7.372 -0.740 396 HB2 ALA 54 HB2 ALA 54 3.335 -8.444 -1.940 397 HB3 ALA 54 HB3 ALA 54 2.384 -7.053 -2.459 398 H LYS 55 HN LYS 55 5.520 -8.547 -2.774 399 HA LYS 55 HA LYS 55 6.891 -7.166 -4.845 400 HB2 LYS 55 HB2 LYS 55 6.377 -10.099 -4.371 401 HB3 LYS 55 HB1 LYS 55 7.285 -9.508 -5.753 402 HG2 LYS 55 HG2 LYS 55 8.886 -8.442 -4.219 403 HG3 LYS 55 HG1 LYS 55 7.995 -9.119 -2.855 404 HD2 LYS 55 HD2 LYS 55 9.992 -10.447 -3.452 405 HD3 LYS 55 HD1 LYS 55 8.491 -11.371 -3.599 406 HE2 LYS 55 HE2 LYS 55 8.511 -11.191 -5.967 407 HE3 LYS 55 HE1 LYS 55 9.789 -9.979 -5.935 408 HZ1 LYS 55 HZ1 LYS 55 10.601 -12.179 -6.574 409 HZ2 LYS 55 HZ2 LYS 55 10.103 -12.808 -5.089 410 HZ3 LYS 55 HZ3 LYS 55 11.326 -11.640 -5.145 411 H ALA 56 HN ALA 56 6.506 -7.121 -7.060 412 HA ALA 56 HA ALA 56 3.914 -6.674 -7.898 413 HB1 ALA 56 HB1 ALA 56 6.246 -7.540 -9.600 414 HB2 ALA 56 HB2 ALA 56 5.888 -5.887 -9.105 415 HB3 ALA 56 HB3 ALA 56 4.782 -6.747 -10.176 416 H GLU 57 HN GLU 57 5.881 -9.571 -8.497 417 HA GLU 57 HA GLU 57 3.822 -10.977 -9.852 418 HB2 GLU 57 HB2 GLU 57 5.309 -12.902 -9.716 419 HB3 GLU 57 HB1 GLU 57 6.200 -11.464 -10.195 420 HG2 GLU 57 HG2 GLU 57 7.160 -11.244 -8.030 421 HG3 GLU 57 HG1 GLU 57 6.098 -12.487 -7.372 422 H ASP 58 HN ASP 58 4.278 -10.353 -6.565 423 HA ASP 58 HA ASP 58 3.012 -12.865 -5.734 424 HB2 ASP 58 HB2 ASP 58 5.157 -12.015 -4.650 425 HB3 ASP 58 HB1 ASP 58 4.175 -10.744 -3.932 426 H MET 59 HN MET 59 2.264 -9.731 -6.517 427 HA MET 59 HA MET 59 0.333 -8.976 -4.651 428 HB2 MET 59 HB2 MET 59 0.849 -8.287 -7.505 429 HB3 MET 59 HB1 MET 59 -0.691 -7.812 -6.797 430 HG2 MET 59 HG2 MET 59 2.022 -7.091 -5.716 431 HG3 MET 59 HG1 MET 59 0.980 -6.034 -6.668 432 HE1 MET 59 HE1 MET 59 2.171 -5.174 -3.902 433 HE2 MET 59 HE2 MET 59 0.780 -4.489 -3.067 434 HE3 MET 59 HE3 MET 59 1.045 -4.133 -4.773 435 H ASP 60 HN ASP 60 0.146 -11.182 -7.352 436 HA ASP 60 HA ASP 60 -2.625 -11.394 -7.598 437 HB2 ASP 60 HB2 ASP 60 -0.432 -13.409 -8.078 438 HB3 ASP 60 HB1 ASP 60 -2.122 -13.741 -8.442 439 H GLY 61 HN GLY 61 -0.379 -13.113 -5.468 440 HA2 GLY 61 HA2 GLY 61 -2.387 -14.743 -4.257 441 HA3 GLY 61 HA1 GLY 61 -0.767 -14.460 -3.638 442 H VAL 62 HN VAL 62 -1.112 -11.552 -3.630 443 HA VAL 62 HA VAL 62 -2.191 -11.285 -1.013 444 HB VAL 62 HB VAL 62 -1.408 -9.126 -2.987 445 HG11 VAL 62 HG11 VAL 62 -1.250 -7.667 -1.025 446 HG12 VAL 62 HG12 VAL 62 -1.851 -8.973 -0.005 447 HG13 VAL 62 HG13 VAL 62 -2.892 -8.274 -1.245 448 HG21 VAL 62 HG21 VAL 62 0.453 -10.613 -2.439 449 HG22 VAL 62 HG22 VAL 62 0.149 -10.372 -0.719 450 HG23 VAL 62 HG23 VAL 62 0.685 -9.022 -1.718 451 H PHE 63 HN PHE 63 -3.305 -10.228 -4.232 452 HA PHE 63 HA PHE 63 -5.693 -9.029 -3.286 453 HB2 PHE 63 HB2 PHE 63 -5.006 -10.112 -6.028 454 HB3 PHE 63 HB1 PHE 63 -6.479 -9.218 -5.664 455 HD1 PHE 63 HD1 PHE 63 -5.668 -7.013 -4.053 456 HD2 PHE 63 HD2 PHE 63 -3.605 -8.822 -7.309 457 HE1 PHE 63 HE1 PHE 63 -4.482 -4.901 -4.471 458 HE2 PHE 63 HE2 PHE 63 -2.418 -6.709 -7.733 459 HZ PHE 63 HZ PHE 63 -2.880 -4.740 -6.345 460 H LYS 64 HN LYS 64 -4.979 -12.279 -4.511 461 HA LYS 64 HA LYS 64 -7.614 -13.204 -4.684 462 HB2 LYS 64 HB2 LYS 64 -5.804 -14.422 -5.717 463 HB3 LYS 64 HB1 LYS 64 -5.044 -14.705 -4.158 464 HG2 LYS 64 HG2 LYS 64 -6.942 -16.097 -3.489 465 HG3 LYS 64 HG1 LYS 64 -7.689 -15.827 -5.061 466 HD2 LYS 64 HD2 LYS 64 -4.991 -17.105 -4.646 467 HD3 LYS 64 HD1 LYS 64 -6.492 -17.996 -4.887 468 HE2 LYS 64 HE2 LYS 64 -5.266 -16.043 -6.830 469 HE3 LYS 64 HE1 LYS 64 -5.206 -17.797 -6.961 470 HZ1 LYS 64 HZ1 LYS 64 -6.939 -16.855 -8.352 471 HZ2 LYS 64 HZ2 LYS 64 -7.680 -16.154 -7.007 472 HZ3 LYS 64 HZ3 LYS 64 -7.611 -17.836 -7.151 473 H ASP 65 HN ASP 65 -5.265 -13.686 -2.043 474 HA ASP 65 HA ASP 65 -7.257 -14.853 -0.338 475 HB2 ASP 65 HB2 ASP 65 -4.394 -14.027 0.060 476 HB3 ASP 65 HB1 ASP 65 -5.394 -14.517 1.424 477 H GLY 66 HN GLY 66 -6.359 -11.704 -1.144 478 HA2 GLY 66 HA2 GLY 66 -6.918 -10.432 1.347 479 HA3 GLY 66 HA1 GLY 66 -6.751 -9.640 -0.214 480 H VAL 67 HN VAL 67 -8.763 -10.956 -1.629 481 HA VAL 67 HA VAL 67 -11.009 -9.433 -0.972 482 HB VAL 67 HB VAL 67 -10.914 -11.961 -2.633 483 HG11 VAL 67 HG11 VAL 67 -13.195 -11.350 -1.974 484 HG12 VAL 67 HG12 VAL 67 -12.938 -11.128 -3.704 485 HG13 VAL 67 HG13 VAL 67 -12.948 -9.731 -2.628 486 HG21 VAL 67 HG21 VAL 67 -10.748 -10.417 -4.550 487 HG22 VAL 67 HG22 VAL 67 -9.358 -10.307 -3.471 488 HG23 VAL 67 HG23 VAL 67 -10.610 -9.066 -3.424 489 H GLY 68 HN GLY 68 -10.030 -12.609 0.073 490 HA2 GLY 68 HA2 GLY 68 -12.623 -13.150 1.290 491 HA3 GLY 68 HA1 GLY 68 -11.240 -14.236 1.262 492 H ALA 69 HN ALA 69 -10.289 -11.144 2.175 493 HA ALA 69 HA ALA 69 -10.547 -11.828 5.036 494 HB1 ALA 69 HB1 ALA 69 -8.175 -10.496 3.737 495 HB2 ALA 69 HB2 ALA 69 -8.249 -12.195 4.200 496 HB3 ALA 69 HB3 ALA 69 -8.337 -10.939 5.436 497 H ALA 70 HN ALA 70 -12.513 -10.380 4.149 498 HA ALA 70 HA ALA 70 -12.183 -7.662 3.634 499 HB1 ALA 70 HB1 ALA 70 -14.548 -7.435 4.157 500 HB2 ALA 70 HB2 ALA 70 -14.539 -9.010 4.949 501 HB3 ALA 70 HB3 ALA 70 -14.261 -8.896 3.211 502 H ASP 71 HN ASP 71 -12.469 -9.364 6.691 503 HA ASP 71 HA ASP 71 -12.807 -6.986 8.252 504 HB2 ASP 71 HB2 ASP 71 -12.720 -8.423 10.166 505 HB3 ASP 71 HB1 ASP 71 -13.648 -9.250 8.924 506 H THR 72 HN THR 72 -10.109 -8.558 6.888 507 HA THR 72 HA THR 72 -8.309 -7.251 8.813 508 HB THR 72 HB THR 72 -7.461 -9.491 6.989 509 HG1 THR 72 HG1 THR 72 -9.167 -9.620 9.149 510 HG21 THR 72 HG21 THR 72 -6.470 -8.509 9.674 511 HG22 THR 72 HG22 THR 72 -5.704 -8.201 8.115 512 HG23 THR 72 HG23 THR 72 -5.779 -9.844 8.753 513 H ASP 73 HN ASP 73 -9.369 -5.666 6.916 514 HA ASP 73 HA ASP 73 -8.810 -4.060 5.425 515 HB2 ASP 73 HB2 ASP 73 -5.954 -4.918 5.905 516 HB3 ASP 73 HB1 ASP 73 -6.490 -3.375 5.249 517 H TYR 74 HN TYR 74 -9.074 -6.939 4.556 518 HA TYR 74 HA TYR 74 -8.944 -8.191 2.690 519 HB2 TYR 74 HB2 TYR 74 -8.482 -5.475 1.459 520 HB3 TYR 74 HB1 TYR 74 -8.606 -6.947 0.493 521 HD1 TYR 74 HD1 TYR 74 -10.753 -8.400 1.000 522 HD2 TYR 74 HD2 TYR 74 -10.401 -4.248 1.836 523 HE1 TYR 74 HE1 TYR 74 -13.202 -8.201 0.998 524 HE2 TYR 74 HE2 TYR 74 -12.854 -4.035 1.842 525 HH TYR 74 HH TYR 74 -14.814 -5.189 0.965 526 H VAL 75 HN VAL 75 -6.625 -8.019 4.311 527 HA VAL 75 HA VAL 75 -4.674 -8.811 2.252 528 HB VAL 75 HB VAL 75 -2.823 -8.206 3.705 529 HG11 VAL 75 HG11 VAL 75 -3.558 -6.517 2.159 530 HG12 VAL 75 HG12 VAL 75 -3.041 -5.754 3.661 531 HG13 VAL 75 HG13 VAL 75 -4.759 -5.937 3.312 532 HG21 VAL 75 HG21 VAL 75 -4.860 -7.086 5.622 533 HG22 VAL 75 HG22 VAL 75 -3.106 -6.997 5.784 534 HG23 VAL 75 HG23 VAL 75 -3.922 -8.559 5.868 535 H LYS 76 HN LYS 76 -3.512 -10.707 2.685 536 HA LYS 76 HA LYS 76 -4.895 -12.653 4.203 537 HB2 LYS 76 HB2 LYS 76 -3.550 -13.134 2.146 538 HB3 LYS 76 HB1 LYS 76 -2.091 -12.848 3.087 539 HG2 LYS 76 HG2 LYS 76 -2.647 -14.708 4.550 540 HG3 LYS 76 HG1 LYS 76 -4.143 -14.979 3.656 541 HD2 LYS 76 HD2 LYS 76 -2.815 -15.429 1.628 542 HD3 LYS 76 HD1 LYS 76 -1.339 -15.222 2.571 543 HE2 LYS 76 HE2 LYS 76 -1.900 -17.587 2.297 544 HE3 LYS 76 HE1 LYS 76 -1.964 -17.101 3.989 545 HZ1 LYS 76 HZ1 LYS 76 -4.353 -16.991 3.861 546 HZ2 LYS 76 HZ2 LYS 76 -3.841 -18.512 3.331 547 HZ3 LYS 76 HZ3 LYS 76 -4.331 -17.349 2.204 548 HA PRO 77 HA PRO 77 -3.250 -11.693 8.224 549 HB2 PRO 77 HB2 PRO 77 -4.026 -14.495 8.807 550 HB3 PRO 77 HB1 PRO 77 -4.495 -13.001 9.628 551 HG2 PRO 77 HG2 PRO 77 -6.213 -14.288 8.046 552 HG3 PRO 77 HG1 PRO 77 -6.152 -12.516 8.080 553 HD2 PRO 77 HD2 PRO 77 -5.050 -14.416 6.042 554 HD3 PRO 77 HD1 PRO 77 -5.850 -12.846 5.809 555 H ASP 78 HN ASP 78 -2.118 -14.206 6.195 556 HA ASP 78 HA ASP 78 0.101 -14.857 7.953 557 HB2 ASP 78 HB2 ASP 78 -0.663 -15.814 5.193 558 HB3 ASP 78 HB1 ASP 78 0.864 -16.246 5.955 559 H ASP 79 HN ASP 79 1.674 -13.428 8.108 560 HA ASP 79 HA ASP 79 2.073 -11.396 6.127 561 HB2 ASP 79 HB2 ASP 79 3.708 -12.026 8.591 562 HB3 ASP 79 HB1 ASP 79 3.860 -10.578 7.608 563 H ALA 80 HN ALA 80 2.487 -13.702 4.809 564 HA ALA 80 HA ALA 80 5.404 -13.940 4.555 565 HB1 ALA 80 HB1 ALA 80 3.231 -15.677 3.387 566 HB2 ALA 80 HB2 ALA 80 4.180 -16.042 4.828 567 HB3 ALA 80 HB3 ALA 80 4.966 -15.957 3.251 568 H ARG 81 HN ARG 81 2.521 -12.902 2.942 569 HA ARG 81 HA ARG 81 4.024 -12.281 0.499 570 HB2 ARG 81 HB2 ARG 81 1.050 -12.264 1.050 571 HB3 ARG 81 HB1 ARG 81 1.788 -11.865 -0.495 572 HG2 ARG 81 HG2 ARG 81 2.620 -14.101 -0.743 573 HG3 ARG 81 HG1 ARG 81 2.083 -14.523 0.883 574 HD2 ARG 81 HD2 ARG 81 -0.244 -14.138 0.201 575 HD3 ARG 81 HD1 ARG 81 0.309 -13.744 -1.430 576 HE ARG 81 HE ARG 81 1.335 -16.223 -0.967 577 HH11 ARG 81 HH11 ARG 81 -1.867 -14.848 -0.785 578 HH12 ARG 81 HH12 ARG 81 -2.678 -16.310 -1.248 579 HH21 ARG 81 HH21 ARG 81 0.294 -18.159 -1.610 580 HH22 ARG 81 HH22 ARG 81 -1.435 -18.193 -1.745 581 H VAL 82 HN VAL 82 2.435 -10.859 3.213 582 HA VAL 82 HA VAL 82 2.637 -8.180 2.051 583 HB VAL 82 HB VAL 82 1.183 -9.114 4.536 584 HG11 VAL 82 HG11 VAL 82 0.156 -6.879 4.518 585 HG12 VAL 82 HG12 VAL 82 1.218 -6.416 3.189 586 HG13 VAL 82 HG13 VAL 82 1.901 -6.812 4.766 587 HG21 VAL 82 HG21 VAL 82 0.146 -9.946 2.493 588 HG22 VAL 82 HG22 VAL 82 0.111 -8.312 1.831 589 HG23 VAL 82 HG23 VAL 82 -0.860 -8.710 3.249 590 H VAL 83 HN VAL 83 4.393 -7.035 2.567 591 HA VAL 83 HA VAL 83 5.885 -7.723 4.970 592 HB VAL 83 HB VAL 83 7.094 -7.341 2.820 593 HG11 VAL 83 HG11 VAL 83 6.276 -4.473 3.226 594 HG12 VAL 83 HG12 VAL 83 5.779 -5.532 1.906 595 HG13 VAL 83 HG13 VAL 83 7.467 -5.043 2.057 596 HG21 VAL 83 HG21 VAL 83 8.293 -7.174 4.908 597 HG22 VAL 83 HG22 VAL 83 7.794 -5.493 5.095 598 HG23 VAL 83 HG23 VAL 83 8.885 -5.947 3.787 599 H ALA 84 HN ALA 84 3.732 -5.299 3.773 600 HA ALA 84 HA ALA 84 3.331 -4.227 6.377 601 HB1 ALA 84 HB1 ALA 84 4.030 -1.938 5.959 602 HB2 ALA 84 HB2 ALA 84 4.601 -2.383 4.352 603 HB3 ALA 84 HB3 ALA 84 5.403 -3.030 5.784 604 H HIS 85 HN HIS 85 1.444 -2.965 6.500 605 HA HIS 85 HA HIS 85 0.105 -2.130 4.081 606 HB2 HIS 85 HB2 HIS 85 -1.873 -3.468 4.301 607 HB3 HIS 85 HB1 HIS 85 -0.502 -4.567 4.292 608 HD1 HIS 85 HD1 HIS 85 -3.334 -3.388 6.392 609 HD2 HIS 85 HD2 HIS 85 0.004 -5.848 6.803 610 HE1 HIS 85 HE1 HIS 85 -3.731 -4.731 8.479 611 HE2 HIS 85 HE2 HIS 85 -1.752 -6.282 8.648 612 H THR 86 HN THR 86 -1.577 -0.681 4.457 613 HA THR 86 HA THR 86 -1.707 0.435 7.138 614 HB THR 86 HB THR 86 -3.203 2.134 6.042 615 HG1 THR 86 HG1 THR 86 -3.546 0.391 4.227 616 HG21 THR 86 HG21 THR 86 -1.452 3.281 4.872 617 HG22 THR 86 HG22 THR 86 -0.584 1.775 4.597 618 HG23 THR 86 HG23 THR 86 -0.725 2.422 6.231 619 H LYS 87 HN LYS 87 -4.138 1.203 7.647 620 HA LYS 87 HA LYS 87 -5.799 -1.205 7.589 621 HB2 LYS 87 HB2 LYS 87 -6.243 1.411 9.053 622 HB3 LYS 87 HB1 LYS 87 -7.168 -0.065 9.266 623 HG2 LYS 87 HG2 LYS 87 -4.244 0.258 9.907 624 HG3 LYS 87 HG1 LYS 87 -5.560 0.317 11.078 625 HD2 LYS 87 HD2 LYS 87 -4.905 -2.053 9.325 626 HD3 LYS 87 HD1 LYS 87 -4.421 -1.877 11.010 627 HE2 LYS 87 HE2 LYS 87 -6.727 -1.856 11.718 628 HE3 LYS 87 HE1 LYS 87 -7.279 -1.875 10.045 629 HZ1 LYS 87 HZ1 LYS 87 -6.297 -4.050 9.763 630 HZ2 LYS 87 HZ2 LYS 87 -7.390 -4.070 11.060 631 HZ3 LYS 87 HZ3 LYS 87 -5.727 -4.037 11.359 632 H LEU 88 HN LEU 88 -7.935 -1.185 6.811 633 HA LEU 88 HA LEU 88 -8.529 0.397 4.559 634 HB2 LEU 88 HB2 LEU 88 -10.144 -1.366 6.343 635 HB3 LEU 88 HB1 LEU 88 -10.982 -0.323 5.214 636 HG LEU 88 HG LEU 88 -8.983 -2.469 4.494 637 HD11 LEU 88 HD11 LEU 88 -11.960 -2.311 4.039 638 HD12 LEU 88 HD12 LEU 88 -11.188 -3.264 5.304 639 HD13 LEU 88 HD13 LEU 88 -10.897 -3.649 3.611 640 HD21 LEU 88 HD21 LEU 88 -10.636 -0.675 2.712 641 HD22 LEU 88 HD22 LEU 88 -9.598 -1.997 2.180 642 HD23 LEU 88 HD23 LEU 88 -8.892 -0.572 2.935 643 H ILE 89 HN ILE 89 -8.757 2.514 4.595 644 HA ILE 89 HA ILE 89 -10.101 3.723 6.916 645 HB ILE 89 HB ILE 89 -8.905 5.834 6.210 646 HG12 ILE 89 HG12 ILE 89 -7.233 3.879 4.614 647 HG13 ILE 89 HG11 ILE 89 -8.325 5.070 3.916 648 HG21 ILE 89 HG21 ILE 89 -7.251 3.481 7.107 649 HG22 ILE 89 HG22 ILE 89 -8.243 4.510 8.140 650 HG23 ILE 89 HG23 ILE 89 -6.828 5.180 7.326 651 HD11 ILE 89 HD11 ILE 89 -6.966 6.859 4.908 652 HD12 ILE 89 HD12 ILE 89 -6.042 5.840 3.804 653 HD13 ILE 89 HD13 ILE 89 -5.861 5.642 5.547 654 H GLY 90 HN GLY 90 -11.816 4.987 6.669 655 HA2 GLY 90 HA2 GLY 90 -13.019 5.225 4.038 656 HA3 GLY 90 HA1 GLY 90 -13.744 5.705 5.570 657 H GLY 91 HN GLY 91 -14.326 7.545 4.022 658 HA2 GLY 91 HA2 GLY 91 -12.372 9.374 3.146 659 HA3 GLY 91 HA1 GLY 91 -14.073 9.733 3.382 660 H GLY 92 HN GLY 92 -11.093 10.690 4.249 661 HA2 GLY 92 HA2 GLY 92 -10.741 12.526 5.697 662 HA3 GLY 92 HA1 GLY 92 -12.171 12.051 6.608 663 H GLU 93 HN GLU 93 -10.438 9.311 6.018 664 HA GLU 93 HA GLU 93 -9.223 9.445 8.688 665 HB2 GLU 93 HB2 GLU 93 -10.397 7.225 7.066 666 HB3 GLU 93 HB1 GLU 93 -9.185 6.854 8.291 667 HG2 GLU 93 HG2 GLU 93 -11.720 8.383 8.829 668 HG3 GLU 93 HG1 GLU 93 -11.531 6.647 9.073 669 H GLU 94 HN GLU 94 -7.257 8.044 8.968 670 HA GLU 94 HA GLU 94 -5.538 7.978 6.609 671 HB2 GLU 94 HB2 GLU 94 -3.741 9.196 7.787 672 HB3 GLU 94 HB1 GLU 94 -5.168 10.203 7.561 673 HG2 GLU 94 HG2 GLU 94 -5.815 9.844 9.869 674 HG3 GLU 94 HG1 GLU 94 -4.436 8.767 10.102 675 H SER 95 HN SER 95 -3.669 6.657 6.877 676 HA SER 95 HA SER 95 -3.283 5.249 9.368 677 HB2 SER 95 HB2 SER 95 -5.101 3.954 8.260 678 HB3 SER 95 HB1 SER 95 -4.041 3.699 6.874 679 HG SER 95 HG SER 95 -3.615 2.812 9.544 680 H SER 96 HN SER 96 -1.253 4.133 9.420 681 HA SER 96 HA SER 96 0.523 4.786 7.173 682 HB2 SER 96 HB2 SER 96 1.111 5.294 10.105 683 HB3 SER 96 HB1 SER 96 2.247 5.535 8.776 684 HG SER 96 HG SER 96 -0.178 6.922 9.274 685 H LEU 97 HN LEU 97 2.459 3.541 7.079 686 HA LEU 97 HA LEU 97 2.625 1.219 8.857 687 HB2 LEU 97 HB2 LEU 97 3.115 -0.261 6.955 688 HB3 LEU 97 HB1 LEU 97 1.492 0.393 6.881 689 HG LEU 97 HG LEU 97 2.554 2.164 5.272 690 HD11 LEU 97 HD11 LEU 97 4.519 -0.101 4.951 691 HD12 LEU 97 HD12 LEU 97 4.887 1.468 5.660 692 HD13 LEU 97 HD13 LEU 97 4.420 1.355 3.964 693 HD21 LEU 97 HD21 LEU 97 0.879 0.471 4.650 694 HD22 LEU 97 HD22 LEU 97 2.177 -0.687 4.372 695 HD23 LEU 97 HD23 LEU 97 2.056 0.758 3.370 696 H THR 98 HN THR 98 4.784 0.307 8.960 697 HA THR 98 HA THR 98 6.869 1.994 7.760 698 HB THR 98 HB THR 98 7.016 0.902 10.575 699 HG1 THR 98 HG1 THR 98 5.456 2.650 10.284 700 HG21 THR 98 HG21 THR 98 8.771 2.832 9.054 701 HG22 THR 98 HG22 THR 98 9.188 1.181 9.513 702 HG23 THR 98 HG23 THR 98 8.958 2.411 10.755 703 H LEU 99 HN LEU 99 8.510 0.866 6.847 704 HA LEU 99 HA LEU 99 8.584 -2.027 7.337 705 HB2 LEU 99 HB2 LEU 99 8.835 -2.388 4.887 706 HB3 LEU 99 HB1 LEU 99 7.259 -1.784 5.366 707 HG LEU 99 HG LEU 99 8.341 0.553 4.746 708 HD11 LEU 99 HD11 LEU 99 9.835 0.370 2.820 709 HD12 LEU 99 HD12 LEU 99 9.894 -1.379 3.033 710 HD13 LEU 99 HD13 LEU 99 10.564 -0.319 4.272 711 HD21 LEU 99 HD21 LEU 99 7.323 -1.448 2.736 712 HD22 LEU 99 HD22 LEU 99 7.443 0.289 2.466 713 HD23 LEU 99 HD23 LEU 99 6.355 -0.338 3.704 714 H ASP 100 HN ASP 100 10.537 -3.069 6.830 715 HA ASP 100 HA ASP 100 12.904 -1.412 7.013 716 HB2 ASP 100 HB2 ASP 100 12.519 -4.414 6.923 717 HB3 ASP 100 HB1 ASP 100 14.093 -3.639 7.041 718 HA PRO 101 HA PRO 101 13.093 -0.941 2.592 719 HB2 PRO 101 HB2 PRO 101 15.962 -0.435 3.208 720 HB3 PRO 101 HB1 PRO 101 14.825 0.536 2.268 721 HG2 PRO 101 HG2 PRO 101 15.511 1.268 4.729 722 HG3 PRO 101 HG1 PRO 101 13.841 1.457 4.155 723 HD2 PRO 101 HD2 PRO 101 14.999 -0.583 6.008 724 HD3 PRO 101 HD1 PRO 101 13.403 0.201 6.042 725 H ALA 102 HN ALA 102 15.451 -2.923 4.320 726 HA ALA 102 HA ALA 102 16.560 -4.140 2.007 727 HB1 ALA 102 HB1 ALA 102 17.765 -4.099 4.110 728 HB2 ALA 102 HB2 ALA 102 17.526 -5.762 3.572 729 HB3 ALA 102 HB3 ALA 102 16.523 -5.100 4.861 730 H LYS 103 HN LYS 103 13.577 -4.515 3.545 731 HA LYS 103 HA LYS 103 13.176 -7.277 2.767 732 HB2 LYS 103 HB2 LYS 103 11.350 -5.208 3.992 733 HB3 LYS 103 HB1 LYS 103 10.822 -6.828 3.568 734 HG2 LYS 103 HG2 LYS 103 13.050 -6.224 5.498 735 HG3 LYS 103 HG1 LYS 103 11.378 -6.538 5.964 736 HD2 LYS 103 HD2 LYS 103 13.175 -8.441 4.462 737 HD3 LYS 103 HD1 LYS 103 12.772 -8.544 6.176 738 HE2 LYS 103 HE2 LYS 103 10.389 -8.790 5.565 739 HE3 LYS 103 HE1 LYS 103 10.845 -8.766 3.862 740 HZ1 LYS 103 HZ1 LYS 103 12.200 -10.751 4.270 741 HZ2 LYS 103 HZ2 LYS 103 10.564 -11.016 4.597 742 HZ3 LYS 103 HZ3 LYS 103 11.654 -10.793 5.871 743 H LEU 104 HN LEU 104 13.296 -4.462 1.128 744 HA LEU 104 HA LEU 104 11.276 -5.330 -0.831 745 HB2 LEU 104 HB2 LEU 104 12.308 -2.639 -0.053 746 HB3 LEU 104 HB1 LEU 104 11.818 -2.891 -1.720 747 HG LEU 104 HG LEU 104 9.555 -3.497 -0.975 748 HD11 LEU 104 HD11 LEU 104 10.581 -2.875 1.789 749 HD12 LEU 104 HD12 LEU 104 10.064 -4.451 1.191 750 HD13 LEU 104 HD13 LEU 104 8.894 -3.143 1.357 751 HD21 LEU 104 HD21 LEU 104 8.876 -1.275 -0.191 752 HD22 LEU 104 HD22 LEU 104 10.034 -1.183 -1.518 753 HD23 LEU 104 HD23 LEU 104 10.563 -0.883 0.137 754 H ALA 105 HN ALA 105 14.152 -6.146 -0.349 755 HA ALA 105 HA ALA 105 15.408 -5.241 -2.826 756 HB1 ALA 105 HB1 ALA 105 16.728 -5.177 -0.755 757 HB2 ALA 105 HB2 ALA 105 17.445 -6.239 -1.967 758 HB3 ALA 105 HB3 ALA 105 16.557 -6.926 -0.606 759 H ASP 106 HN ASP 106 13.292 -7.574 -2.072 760 HA ASP 106 HA ASP 106 14.607 -9.785 -3.415 761 HB2 ASP 106 HB2 ASP 106 11.896 -9.511 -2.123 762 HB3 ASP 106 HB1 ASP 106 12.360 -10.938 -3.040 763 H GLY 107 HN GLY 107 13.684 -7.173 -4.793 764 HA2 GLY 107 HA2 GLY 107 13.647 -7.613 -7.288 765 HA3 GLY 107 HA1 GLY 107 12.196 -8.539 -6.939 766 H ASP 108 HN ASP 108 10.909 -7.301 -8.261 767 HA ASP 108 HA ASP 108 10.700 -4.448 -7.815 768 HB2 ASP 108 HB2 ASP 108 9.623 -6.373 -9.817 769 HB3 ASP 108 HB1 ASP 108 8.721 -4.888 -9.537 770 H TYR 109 HN TYR 109 9.388 -3.585 -6.401 771 HA TYR 109 HA TYR 109 7.184 -5.214 -5.370 772 HB2 TYR 109 HB2 TYR 109 8.829 -3.020 -4.120 773 HB3 TYR 109 HB1 TYR 109 7.286 -3.517 -3.433 774 HD1 TYR 109 HD1 TYR 109 10.332 -5.237 -4.780 775 HD2 TYR 109 HD2 TYR 109 7.467 -4.938 -1.652 776 HE1 TYR 109 HE1 TYR 109 11.469 -7.048 -3.569 777 HE2 TYR 109 HE2 TYR 109 8.588 -6.740 -0.436 778 HH TYR 109 HH TYR 109 11.664 -7.999 -1.441 779 H LYS 110 HN LYS 110 5.173 -4.241 -4.970 780 HA LYS 110 HA LYS 110 4.731 -1.679 -6.342 781 HB2 LYS 110 HB2 LYS 110 2.837 -4.041 -6.442 782 HB3 LYS 110 HB1 LYS 110 2.606 -2.480 -7.217 783 HG2 LYS 110 HG2 LYS 110 4.659 -2.956 -8.580 784 HG3 LYS 110 HG1 LYS 110 4.631 -4.590 -7.910 785 HD2 LYS 110 HD2 LYS 110 3.535 -4.654 -10.035 786 HD3 LYS 110 HD1 LYS 110 2.301 -4.828 -8.785 787 HE2 LYS 110 HE2 LYS 110 1.703 -2.488 -9.012 788 HE3 LYS 110 HE1 LYS 110 2.991 -2.252 -10.192 789 HZ1 LYS 110 HZ1 LYS 110 0.612 -3.994 -10.533 790 HZ2 LYS 110 HZ2 LYS 110 1.857 -3.816 -11.660 791 HZ3 LYS 110 HZ3 LYS 110 0.868 -2.498 -11.282 792 H PHE 111 HN PHE 111 2.976 -0.471 -5.517 793 HA PHE 111 HA PHE 111 1.901 -1.468 -2.970 794 HB2 PHE 111 HB2 PHE 111 1.603 0.812 -2.217 795 HB3 PHE 111 HB1 PHE 111 3.283 0.587 -2.672 796 HD1 PHE 111 HD2 PHE 111 4.143 1.611 -4.746 797 HD2 PHE 111 HD1 PHE 111 0.203 2.367 -3.327 798 HE1 PHE 111 HE2 PHE 111 4.005 3.594 -6.193 799 HE2 PHE 111 HE1 PHE 111 0.059 4.354 -4.770 800 HZ PHE 111 HZ PHE 111 1.962 4.972 -6.199 801 H ALA 112 HN ALA 112 -0.298 -1.497 -2.777 802 HA ALA 112 HA ALA 112 -1.900 -0.450 -4.959 803 HB1 ALA 112 HB1 ALA 112 -1.787 -3.419 -4.435 804 HB2 ALA 112 HB2 ALA 112 -1.044 -2.605 -5.811 805 HB3 ALA 112 HB3 ALA 112 -2.798 -2.596 -5.622 806 H CYS 113 HN CYS 113 -4.150 -0.689 -4.635 807 HA CYS 113 HA CYS 113 -4.911 -0.882 -1.823 808 HB2 CYS 113 HB2 CYS 113 -5.632 1.057 -3.310 809 HB3 CYS 113 HB1 CYS 113 -6.643 -0.094 -4.178 810 H THR 114 HN THR 114 -5.631 -2.786 -1.085 811 HA THR 114 HA THR 114 -6.135 -4.906 -2.986 812 HB THR 114 HB THR 114 -6.353 -6.307 -0.861 813 HG1 THR 114 HG1 THR 114 -6.097 -5.333 1.021 814 HG21 THR 114 HG21 THR 114 -3.915 -6.305 -0.480 815 HG22 THR 114 HG22 THR 114 -3.790 -4.798 -1.387 816 HG23 THR 114 HG23 THR 114 -4.315 -6.274 -2.197 817 H PHE 115 HN PHE 115 -8.084 -2.589 -2.047 818 HA PHE 115 HA PHE 115 -10.397 -3.951 -1.124 819 HB2 PHE 115 HB2 PHE 115 -9.912 -1.443 -1.005 820 HB3 PHE 115 HB1 PHE 115 -10.359 -1.371 -2.703 821 HD1 PHE 115 HD1 PHE 115 -11.553 -1.835 0.707 822 HD2 PHE 115 HD2 PHE 115 -12.672 -1.660 -3.392 823 HE1 PHE 115 HE1 PHE 115 -13.907 -1.594 1.366 824 HE2 PHE 115 HE2 PHE 115 -15.032 -1.422 -2.740 825 HZ PHE 115 HZ PHE 115 -15.651 -1.387 -0.360 826 HA PRO 116 HA PRO 116 -11.417 -6.254 -4.761 827 HB2 PRO 116 HB2 PRO 116 -14.228 -5.757 -3.895 828 HB3 PRO 116 HB1 PRO 116 -13.422 -7.286 -4.282 829 HG2 PRO 116 HG2 PRO 116 -13.901 -6.617 -1.757 830 HG3 PRO 116 HG1 PRO 116 -12.381 -7.409 -2.212 831 HD2 PRO 116 HD2 PRO 116 -12.905 -4.537 -1.556 832 HD3 PRO 116 HD1 PRO 116 -11.494 -5.549 -1.169 833 H GLY 117 HN GLY 117 -11.181 -5.285 -6.658 834 HA2 GLY 117 HA2 GLY 117 -12.233 -4.383 -8.606 835 HA3 GLY 117 HA1 GLY 117 -13.296 -3.450 -7.556 836 H HIS 118 HN HIS 118 -10.803 -2.842 -5.897 837 HA HIS 118 HA HIS 118 -10.201 -0.382 -7.295 838 HB2 HIS 118 HB2 HIS 118 -9.556 -1.431 -4.547 839 HB3 HIS 118 HB1 HIS 118 -8.784 0.019 -5.171 840 HD2 HIS 118 HD2 HIS 118 -12.576 -0.564 -5.847 841 HE1 HIS 118 HE1 HIS 118 -12.129 2.566 -3.031 842 HE2 HIS 118 HE2 HIS 118 -13.791 1.173 -4.348 843 H GLY 119 HN GLY 119 -8.526 -3.322 -6.322 844 HA2 GLY 119 HA2 GLY 119 -5.891 -2.464 -6.733 845 HA3 GLY 119 HA1 GLY 119 -6.431 -4.136 -6.754 846 H ALA 120 HN ALA 120 -8.280 -3.323 -9.067 847 HA ALA 120 HA ALA 120 -6.579 -4.213 -11.136 848 HB1 ALA 120 HB1 ALA 120 -8.471 -3.812 -12.617 849 HB2 ALA 120 HB2 ALA 120 -9.280 -2.890 -11.349 850 HB3 ALA 120 HB3 ALA 120 -8.991 -4.616 -11.135 851 H LEU 121 HN LEU 121 -7.375 -1.052 -9.954 852 HA LEU 121 HA LEU 121 -5.817 0.123 -12.163 853 HB2 LEU 121 HB2 LEU 121 -8.170 0.759 -12.333 854 HB3 LEU 121 HB1 LEU 121 -8.149 1.344 -10.678 855 HG LEU 121 HG LEU 121 -6.447 3.045 -11.381 856 HD11 LEU 121 HD11 LEU 121 -6.258 3.531 -13.778 857 HD12 LEU 121 HD12 LEU 121 -7.171 2.064 -14.135 858 HD13 LEU 121 HD13 LEU 121 -5.591 1.953 -13.360 859 HD21 LEU 121 HD21 LEU 121 -9.124 3.112 -12.768 860 HD22 LEU 121 HD22 LEU 121 -8.082 4.505 -12.482 861 HD23 LEU 121 HD23 LEU 121 -8.786 3.637 -11.118 862 H MET 122 HN MET 122 -6.628 0.266 -8.738 863 HA MET 122 HA MET 122 -4.771 2.400 -8.196 864 HB2 MET 122 HB2 MET 122 -6.823 0.897 -6.724 865 HB3 MET 122 HB1 MET 122 -5.431 1.357 -5.756 866 HG2 MET 122 HG2 MET 122 -5.819 3.626 -6.047 867 HG3 MET 122 HG1 MET 122 -6.831 3.363 -7.468 868 HE1 MET 122 HE1 MET 122 -9.292 3.101 -7.471 869 HE2 MET 122 HE2 MET 122 -10.225 2.396 -6.150 870 HE3 MET 122 HE3 MET 122 -8.980 1.443 -6.957 871 H ASN 123 HN ASN 123 -2.922 1.299 -9.108 872 HA ASN 123 HA ASN 123 -1.417 0.072 -6.975 873 HB2 ASN 123 HB2 ASN 123 -0.572 -1.790 -8.386 874 HB3 ASN 123 HB1 ASN 123 -2.297 -1.932 -8.052 875 HD21 ASN 123 HD21 ASN 123 -3.756 -1.719 -9.718 876 HD22 ASN 123 HD22 ASN 123 -3.277 -1.713 -11.380 877 H GLY 124 HN GLY 124 0.775 0.404 -7.155 878 HA2 GLY 124 HA2 GLY 124 1.782 1.705 -9.583 879 HA3 GLY 124 HA1 GLY 124 1.885 2.601 -8.070 880 H LYS 125 HN LYS 125 4.234 2.476 -8.768 881 HA LYS 125 HA LYS 125 5.433 -0.129 -8.115 882 HB2 LYS 125 HB2 LYS 125 6.575 2.232 -9.619 883 HB3 LYS 125 HB1 LYS 125 7.437 0.738 -9.289 884 HG2 LYS 125 HG2 LYS 125 4.861 0.814 -10.832 885 HG3 LYS 125 HG1 LYS 125 6.439 0.988 -11.596 886 HD2 LYS 125 HD2 LYS 125 5.630 -1.365 -9.890 887 HD3 LYS 125 HD1 LYS 125 5.522 -1.331 -11.651 888 HE2 LYS 125 HE2 LYS 125 7.963 -0.879 -11.738 889 HE3 LYS 125 HE1 LYS 125 8.023 -1.066 -9.988 890 HZ1 LYS 125 HZ1 LYS 125 7.225 -3.155 -11.944 891 HZ2 LYS 125 HZ2 LYS 125 7.207 -3.341 -10.265 892 HZ3 LYS 125 HZ3 LYS 125 8.678 -3.102 -11.070 893 H VAL 126 HN VAL 126 6.579 -0.356 -6.304 894 HA VAL 126 HA VAL 126 7.716 2.063 -5.086 895 HB VAL 126 HB VAL 126 5.977 1.327 -3.594 896 HG11 VAL 126 HG11 VAL 126 5.999 -0.914 -2.561 897 HG12 VAL 126 HG12 VAL 126 7.272 -1.388 -3.686 898 HG13 VAL 126 HG13 VAL 126 5.676 -0.952 -4.293 899 HG21 VAL 126 HG21 VAL 126 8.016 2.124 -2.545 900 HG22 VAL 126 HG22 VAL 126 8.675 0.488 -2.548 901 HG23 VAL 126 HG23 VAL 126 7.263 0.868 -1.560 902 H THR 127 HN THR 127 9.840 2.059 -5.116 903 HA THR 127 HA THR 127 11.177 -0.525 -5.588 904 HB THR 127 HB THR 127 11.954 2.125 -6.810 905 HG1 THR 127 HG1 THR 127 10.107 0.187 -7.566 906 HG21 THR 127 HG21 THR 127 13.789 0.515 -6.619 907 HG22 THR 127 HG22 THR 127 13.317 0.733 -8.304 908 HG23 THR 127 HG23 THR 127 12.808 -0.708 -7.425 909 H LEU 128 HN LEU 128 12.973 -0.953 -4.473 910 HA LEU 128 HA LEU 128 13.872 0.830 -2.411 911 HB2 LEU 128 HB2 LEU 128 13.895 -1.636 -2.148 912 HB3 LEU 128 HB1 LEU 128 15.082 -1.746 -3.436 913 HG LEU 128 HG LEU 128 16.643 -0.391 -2.027 914 HD11 LEU 128 HD11 LEU 128 14.498 -0.823 0.039 915 HD12 LEU 128 HD12 LEU 128 15.074 0.721 -0.590 916 HD13 LEU 128 HD13 LEU 128 16.139 -0.284 0.392 917 HD21 LEU 128 HD21 LEU 128 15.655 -2.983 -0.852 918 HD22 LEU 128 HD22 LEU 128 17.218 -2.236 -0.525 919 HD23 LEU 128 HD23 LEU 128 16.838 -2.809 -2.148 920 H VAL 129 HN VAL 129 15.248 2.438 -2.710 921 HA VAL 129 HA VAL 129 17.035 2.337 -5.053 922 HB VAL 129 HB VAL 129 16.869 4.756 -5.251 923 HG11 VAL 129 HG11 VAL 129 15.302 3.401 -6.523 924 HG12 VAL 129 HG12 VAL 129 14.556 4.924 -6.038 925 HG13 VAL 129 HG13 VAL 129 14.160 3.436 -5.178 926 HG21 VAL 129 HG21 VAL 129 15.251 6.042 -3.944 927 HG22 VAL 129 HG22 VAL 129 16.474 5.306 -2.908 928 HG23 VAL 129 HG23 VAL 129 14.860 4.600 -3.005 929 H ASP 130 HN ASP 130 18.963 3.699 -4.855 930 HA ASP 130 HA ASP 130 19.918 3.873 -2.073 931 HB2 ASP 130 HB2 ASP 130 22.094 3.164 -2.743 932 HB3 ASP 130 HB1 ASP 130 20.962 2.026 -3.465 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 15.416 13.927 -3.667 2 H2 ALA 1 HT2 ALA 1 14.099 13.795 -2.617 3 H3 ALA 1 HT3 ALA 1 14.181 15.081 -3.711 4 HA ALA 1 HA ALA 1 12.607 13.442 -4.459 5 HB1 ALA 1 HB1 ALA 1 13.459 13.132 -6.706 6 HB2 ALA 1 HB2 ALA 1 15.097 13.477 -6.156 7 HB3 ALA 1 HB3 ALA 1 13.870 14.741 -6.113 8 H THR 2 HN THR 2 15.905 12.089 -4.252 9 HA THR 2 HA THR 2 14.706 9.500 -3.640 10 HB THR 2 HB THR 2 15.124 9.519 -6.090 11 HG1 THR 2 HG1 THR 2 15.304 7.484 -5.523 12 HG21 THR 2 HG21 THR 2 17.455 9.449 -6.897 13 HG22 THR 2 HG22 THR 2 18.014 9.841 -5.269 14 HG23 THR 2 HG23 THR 2 17.048 11.006 -6.176 15 H ALA 3 HN ALA 3 16.203 8.002 -2.690 16 HA ALA 3 HA ALA 3 17.965 7.269 -1.478 17 HB1 ALA 3 HB1 ALA 3 19.422 8.257 -3.178 18 HB2 ALA 3 HB2 ALA 3 20.123 8.368 -1.562 19 HB3 ALA 3 HB3 ALA 3 19.393 9.791 -2.307 20 H GLY 4 HN GLY 4 16.540 10.344 -0.869 21 HA2 GLY 4 HA2 GLY 4 17.493 10.187 1.924 22 HA3 GLY 4 HA1 GLY 4 17.116 11.696 1.108 23 H ASN 5 HN ASN 5 15.116 8.865 0.707 24 HA ASN 5 HA ASN 5 12.951 10.325 2.039 25 HB2 ASN 5 HB2 ASN 5 12.917 8.074 0.032 26 HB3 ASN 5 HB1 ASN 5 11.490 8.527 0.950 27 HD21 ASN 5 HD21 ASN 5 13.682 9.457 -1.562 28 HD22 ASN 5 HD22 ASN 5 12.748 10.783 -2.159 29 H CYS 6 HN CYS 6 12.683 9.854 4.086 30 HA CYS 6 HA CYS 6 12.996 7.067 4.964 31 HB2 CYS 6 HB2 CYS 6 12.793 9.589 6.629 32 HB3 CYS 6 HB1 CYS 6 13.094 7.963 7.242 33 H ALA 7 HN ALA 7 10.736 9.514 4.291 34 HA ALA 7 HA ALA 7 8.544 7.793 5.066 35 HB1 ALA 7 HB1 ALA 7 8.765 10.591 6.173 36 HB2 ALA 7 HB2 ALA 7 8.945 9.104 7.102 37 HB3 ALA 7 HB3 ALA 7 7.393 9.502 6.366 38 H ALA 8 HN ALA 8 6.702 8.169 3.884 39 HA ALA 8 HA ALA 8 6.694 10.439 2.031 40 HB1 ALA 8 HB1 ALA 8 6.328 7.572 1.159 41 HB2 ALA 8 HB2 ALA 8 7.731 8.583 0.814 42 HB3 ALA 8 HB3 ALA 8 6.156 8.997 0.135 43 H THR 9 HN THR 9 4.628 11.023 1.304 44 HA THR 9 HA THR 9 2.407 9.686 2.692 45 HB THR 9 HB THR 9 2.652 12.643 2.079 46 HG1 THR 9 HG1 THR 9 3.973 11.877 3.841 47 HG21 THR 9 HG21 THR 9 0.331 11.864 2.000 48 HG22 THR 9 HG22 THR 9 0.609 12.875 3.420 49 HG23 THR 9 HG23 THR 9 0.520 11.121 3.588 50 H VAL 10 HN VAL 10 0.637 9.196 1.525 51 HA VAL 10 HA VAL 10 0.455 10.203 -1.223 52 HB VAL 10 HB VAL 10 1.364 8.019 -1.521 53 HG11 VAL 10 HG11 VAL 10 -0.766 7.022 0.359 54 HG12 VAL 10 HG12 VAL 10 0.969 7.088 0.669 55 HG13 VAL 10 HG13 VAL 10 0.334 6.000 -0.565 56 HG21 VAL 10 HG21 VAL 10 -0.393 6.863 -2.744 57 HG22 VAL 10 HG22 VAL 10 -0.491 8.601 -3.024 58 HG23 VAL 10 HG23 VAL 10 -1.619 7.822 -1.916 59 H GLU 11 HN GLU 11 -1.537 10.757 -1.863 60 HA GLU 11 HA GLU 11 -3.666 10.521 0.136 61 HB2 GLU 11 HB2 GLU 11 -3.009 12.796 -0.482 62 HB3 GLU 11 HB1 GLU 11 -3.327 12.441 -2.169 63 HG2 GLU 11 HG2 GLU 11 -5.706 12.088 -1.606 64 HG3 GLU 11 HG1 GLU 11 -5.347 12.572 0.055 65 H SER 12 HN SER 12 -5.620 9.680 -0.358 66 HA SER 12 HA SER 12 -6.045 8.732 -3.108 67 HB2 SER 12 HB2 SER 12 -7.290 6.795 -2.071 68 HB3 SER 12 HB1 SER 12 -5.558 6.790 -1.752 69 HG SER 12 HG SER 12 -6.428 6.452 0.201 70 H ASN 13 HN ASN 13 -8.050 9.122 -3.963 71 HA ASN 13 HA ASN 13 -9.853 10.709 -2.258 72 HB2 ASN 13 HB2 ASN 13 -10.446 12.002 -4.296 73 HB3 ASN 13 HB1 ASN 13 -8.750 12.155 -3.866 74 HD21 ASN 13 HD21 ASN 13 -8.202 12.780 -5.935 75 HD22 ASN 13 HD22 ASN 13 -8.164 11.668 -7.261 76 H ASP 14 HN ASP 14 -12.031 10.957 -3.858 77 HA ASP 14 HA ASP 14 -13.120 8.284 -3.638 78 HB2 ASP 14 HB2 ASP 14 -15.275 9.290 -3.806 79 HB3 ASP 14 HB1 ASP 14 -14.305 10.360 -2.800 80 H ASN 15 HN ASN 15 -11.354 9.499 -5.956 81 HA ASN 15 HA ASN 15 -13.102 8.702 -8.179 82 HB2 ASN 15 HB2 ASN 15 -10.475 10.209 -8.212 83 HB3 ASN 15 HB1 ASN 15 -11.417 9.790 -9.640 84 HD21 ASN 15 HD21 ASN 15 -13.978 10.308 -8.323 85 HD22 ASN 15 HD22 ASN 15 -14.113 12.028 -8.210 86 H MET 16 HN MET 16 -11.309 7.160 -6.158 87 HA MET 16 HA MET 16 -10.254 5.162 -6.114 88 HB2 MET 16 HB2 MET 16 -11.349 5.024 -8.922 89 HB3 MET 16 HB1 MET 16 -10.530 3.684 -8.141 90 HG2 MET 16 HG2 MET 16 -12.238 3.625 -6.413 91 HG3 MET 16 HG1 MET 16 -13.051 5.001 -7.160 92 HE1 MET 16 HE1 MET 16 -14.472 2.258 -6.445 93 HE2 MET 16 HE2 MET 16 -15.431 1.943 -7.892 94 HE3 MET 16 HE3 MET 16 -15.344 3.575 -7.228 95 H GLN 17 HN GLN 17 -8.475 7.094 -6.315 96 HA GLN 17 HA GLN 17 -6.385 5.847 -7.887 97 HB2 GLN 17 HB2 GLN 17 -5.750 7.786 -9.125 98 HB3 GLN 17 HB1 GLN 17 -7.476 7.569 -9.384 99 HG2 GLN 17 HG2 GLN 17 -7.993 9.318 -7.839 100 HG3 GLN 17 HG1 GLN 17 -6.298 9.462 -7.371 101 HE21 GLN 17 HE21 GLN 17 -6.135 11.601 -7.950 102 HE22 GLN 17 HE22 GLN 17 -6.162 12.135 -9.595 103 H PHE 18 HN PHE 18 -4.288 6.463 -7.256 104 HA PHE 18 HA PHE 18 -4.077 7.978 -4.744 105 HB2 PHE 18 HB2 PHE 18 -1.994 6.308 -6.193 106 HB3 PHE 18 HB1 PHE 18 -1.766 7.103 -4.642 107 HD1 PHE 18 HD2 PHE 18 -3.706 6.429 -2.873 108 HD2 PHE 18 HD1 PHE 18 -2.335 4.055 -6.131 109 HE1 PHE 18 HE2 PHE 18 -4.449 4.397 -1.703 110 HE2 PHE 18 HE1 PHE 18 -3.072 2.020 -4.967 111 HZ PHE 18 HZ PHE 18 -4.129 2.190 -2.746 112 H ASN 19 HN ASN 19 -2.495 9.728 -4.655 113 HA ASN 19 HA ASN 19 -2.345 11.142 -7.177 114 HB2 ASN 19 HB2 ASN 19 -1.462 11.928 -4.401 115 HB3 ASN 19 HB1 ASN 19 -1.293 12.968 -5.812 116 HD21 ASN 19 HD21 ASN 19 -2.742 13.654 -3.534 117 HD22 ASN 19 HD22 ASN 19 -4.418 13.774 -3.954 118 H THR 20 HN THR 20 -0.657 8.689 -6.433 119 HA THR 20 HA THR 20 1.533 9.477 -8.059 120 HB THR 20 HB THR 20 2.423 10.348 -5.950 121 HG1 THR 20 HG1 THR 20 4.180 8.420 -5.888 122 HG21 THR 20 HG21 THR 20 2.935 8.828 -4.079 123 HG22 THR 20 HG22 THR 20 2.077 7.533 -4.912 124 HG23 THR 20 HG23 THR 20 1.202 8.963 -4.369 125 H LYS 21 HN LYS 21 2.456 7.721 -9.043 126 HA LYS 21 HA LYS 21 1.465 5.084 -8.178 127 HB2 LYS 21 HB2 LYS 21 2.344 6.026 -10.912 128 HB3 LYS 21 HB1 LYS 21 1.971 4.353 -10.520 129 HG2 LYS 21 HG2 LYS 21 -0.328 5.119 -9.865 130 HG3 LYS 21 HG1 LYS 21 0.086 6.699 -10.539 131 HD2 LYS 21 HD2 LYS 21 0.598 5.585 -12.698 132 HD3 LYS 21 HD1 LYS 21 0.046 4.062 -12.006 133 HE2 LYS 21 HE2 LYS 21 -1.724 5.032 -13.324 134 HE3 LYS 21 HE1 LYS 21 -2.171 5.074 -11.620 135 HZ1 LYS 21 HZ1 LYS 21 -1.491 7.404 -11.558 136 HZ2 LYS 21 HZ2 LYS 21 -2.715 7.148 -12.690 137 HZ3 LYS 21 HZ3 LYS 21 -1.116 7.355 -13.204 138 H ASP 22 HN ASP 22 3.993 6.897 -7.685 139 HA ASP 22 HA ASP 22 5.864 4.638 -7.777 140 HB2 ASP 22 HB2 ASP 22 6.308 7.404 -8.843 141 HB3 ASP 22 HB1 ASP 22 7.667 6.510 -8.167 142 H ILE 23 HN ILE 23 6.726 4.221 -5.884 143 HA ILE 23 HA ILE 23 7.280 6.441 -4.041 144 HB ILE 23 HB ILE 23 6.118 3.741 -3.326 145 HG12 ILE 23 HG12 ILE 23 5.207 6.548 -2.633 146 HG13 ILE 23 HG11 ILE 23 4.539 5.582 -3.946 147 HG21 ILE 23 HG21 ILE 23 7.991 4.252 -1.824 148 HG22 ILE 23 HG22 ILE 23 6.443 4.304 -0.980 149 HG23 ILE 23 HG23 ILE 23 7.251 5.805 -1.435 150 HD11 ILE 23 HD11 ILE 23 3.107 5.522 -1.988 151 HD12 ILE 23 HD12 ILE 23 4.440 4.902 -1.014 152 HD13 ILE 23 HD13 ILE 23 3.772 3.922 -2.320 153 H GLN 24 HN GLN 24 9.342 6.510 -3.446 154 HA GLN 24 HA GLN 24 11.021 4.191 -4.100 155 HB2 GLN 24 HB2 GLN 24 11.787 7.103 -3.860 156 HB3 GLN 24 HB1 GLN 24 12.893 5.787 -4.234 157 HG2 GLN 24 HG2 GLN 24 11.509 5.313 -6.259 158 HG3 GLN 24 HG1 GLN 24 10.608 6.789 -5.910 159 HE21 GLN 24 HE21 GLN 24 11.256 7.758 -7.835 160 HE22 GLN 24 HE22 GLN 24 12.871 8.330 -8.076 161 H VAL 25 HN VAL 25 11.750 3.065 -2.465 162 HA VAL 25 HA VAL 25 11.844 4.294 0.197 163 HB VAL 25 HB VAL 25 12.079 1.381 -0.591 164 HG11 VAL 25 HG11 VAL 25 11.855 0.931 1.813 165 HG12 VAL 25 HG12 VAL 25 11.878 2.664 2.136 166 HG13 VAL 25 HG13 VAL 25 13.304 1.875 1.462 167 HG21 VAL 25 HG21 VAL 25 9.796 2.894 0.675 168 HG22 VAL 25 HG22 VAL 25 9.845 1.155 0.389 169 HG23 VAL 25 HG23 VAL 25 9.842 2.274 -0.974 170 H SER 26 HN SER 26 13.718 4.992 0.931 171 HA SER 26 HA SER 26 16.133 4.375 -0.536 172 HB2 SER 26 HB2 SER 26 15.740 6.205 1.845 173 HB3 SER 26 HB1 SER 26 17.117 6.191 0.742 174 HG SER 26 HG SER 26 14.598 6.491 -0.396 175 H LYS 27 HN LYS 27 17.405 2.739 -0.015 176 HA LYS 27 HA LYS 27 16.998 1.181 2.335 177 HB2 LYS 27 HB2 LYS 27 18.819 -0.201 1.538 178 HB3 LYS 27 HB1 LYS 27 17.785 0.232 0.183 179 HG2 LYS 27 HG2 LYS 27 19.364 1.889 -0.556 180 HG3 LYS 27 HG1 LYS 27 20.375 1.606 0.861 181 HD2 LYS 27 HD2 LYS 27 21.325 0.472 -1.043 182 HD3 LYS 27 HD1 LYS 27 20.717 -0.722 0.105 183 HE2 LYS 27 HE2 LYS 27 18.735 -1.057 -1.240 184 HE3 LYS 27 HE1 LYS 27 19.234 0.223 -2.346 185 HZ1 LYS 27 HZ1 LYS 27 20.679 -2.328 -1.886 186 HZ2 LYS 27 HZ2 LYS 27 21.165 -1.100 -2.942 187 HZ3 LYS 27 HZ3 LYS 27 19.737 -1.957 -3.239 188 H ALA 28 HN ALA 28 18.892 3.927 1.646 189 HA ALA 28 HA ALA 28 20.882 3.543 3.667 190 HB1 ALA 28 HB1 ALA 28 21.475 5.869 3.238 191 HB2 ALA 28 HB2 ALA 28 20.017 6.069 2.267 192 HB3 ALA 28 HB3 ALA 28 21.291 4.975 1.729 193 H CYS 29 HN CYS 29 17.676 3.943 3.929 194 HA CYS 29 HA CYS 29 17.836 5.564 6.371 195 HB2 CYS 29 HB2 CYS 29 15.446 4.760 4.692 196 HB3 CYS 29 HB1 CYS 29 15.357 5.708 6.174 197 H LYS 30 HN LYS 30 17.257 4.714 8.314 198 HA LYS 30 HA LYS 30 17.594 1.944 8.678 199 HB2 LYS 30 HB2 LYS 30 18.148 3.687 10.356 200 HB3 LYS 30 HB1 LYS 30 16.432 3.960 10.605 201 HG2 LYS 30 HG2 LYS 30 16.177 1.671 11.410 202 HG3 LYS 30 HG1 LYS 30 17.901 1.392 11.155 203 HD2 LYS 30 HD2 LYS 30 16.730 3.467 13.005 204 HD3 LYS 30 HD1 LYS 30 17.355 1.897 13.509 205 HE2 LYS 30 HE2 LYS 30 18.929 4.101 12.176 206 HE3 LYS 30 HE1 LYS 30 19.002 3.656 13.879 207 HZ1 LYS 30 HZ1 LYS 30 19.815 1.953 11.585 208 HZ2 LYS 30 HZ2 LYS 30 19.818 1.461 13.202 209 HZ3 LYS 30 HZ3 LYS 30 20.847 2.700 12.696 210 H GLU 31 HN GLU 31 14.706 3.996 8.822 211 HA GLU 31 HA GLU 31 13.063 1.639 8.273 212 HB2 GLU 31 HB2 GLU 31 12.493 3.656 10.457 213 HB3 GLU 31 HB1 GLU 31 11.350 2.447 9.896 214 HG2 GLU 31 HG2 GLU 31 12.979 0.694 10.577 215 HG3 GLU 31 HG1 GLU 31 13.968 1.968 11.287 216 H PHE 32 HN PHE 32 11.116 2.108 7.157 217 HA PHE 32 HA PHE 32 10.992 4.859 6.099 218 HB2 PHE 32 HB2 PHE 32 11.849 3.111 4.480 219 HB3 PHE 32 HB1 PHE 32 10.256 2.364 4.564 220 HD1 PHE 32 HD2 PHE 32 12.106 5.377 3.491 221 HD2 PHE 32 HD1 PHE 32 8.416 3.267 3.408 222 HE1 PHE 32 HE2 PHE 32 11.281 6.882 1.728 223 HE2 PHE 32 HE1 PHE 32 7.594 4.766 1.653 224 HZ PHE 32 HZ PHE 32 9.115 6.605 0.788 225 H THR 33 HN THR 33 9.081 5.857 6.289 226 HA THR 33 HA THR 33 6.779 4.225 7.145 227 HB THR 33 HB THR 33 7.435 7.075 7.919 228 HG1 THR 33 HG1 THR 33 8.751 5.565 8.994 229 HG21 THR 33 HG21 THR 33 5.188 5.272 8.833 230 HG22 THR 33 HG22 THR 33 5.017 6.691 7.800 231 HG23 THR 33 HG23 THR 33 5.547 6.876 9.473 232 H ILE 34 HN ILE 34 4.937 4.386 6.044 233 HA ILE 34 HA ILE 34 4.702 6.517 4.017 234 HB ILE 34 HB ILE 34 3.587 3.706 3.922 235 HG12 ILE 34 HG12 ILE 34 5.658 5.071 2.192 236 HG13 ILE 34 HG11 ILE 34 6.005 3.879 3.438 237 HG21 ILE 34 HG21 ILE 34 2.017 5.297 2.953 238 HG22 ILE 34 HG22 ILE 34 2.743 4.296 1.697 239 HG23 ILE 34 HG23 ILE 34 3.292 5.956 1.930 240 HD11 ILE 34 HD11 ILE 34 6.076 2.876 1.236 241 HD12 ILE 34 HD12 ILE 34 4.425 3.402 0.920 242 HD13 ILE 34 HD13 ILE 34 4.742 2.206 2.173 243 H THR 35 HN THR 35 2.987 7.829 4.195 244 HA THR 35 HA THR 35 0.838 7.028 6.046 245 HB THR 35 HB THR 35 1.693 9.829 5.289 246 HG1 THR 35 HG1 THR 35 2.975 8.310 6.827 247 HG21 THR 35 HG21 THR 35 0.179 10.542 7.079 248 HG22 THR 35 HG22 THR 35 -0.303 8.868 7.347 249 HG23 THR 35 HG23 THR 35 -0.697 9.667 5.824 250 H LEU 36 HN LEU 36 -1.114 6.723 5.220 251 HA LEU 36 HA LEU 36 -1.653 7.663 2.487 252 HB2 LEU 36 HB2 LEU 36 -1.835 5.229 2.926 253 HB3 LEU 36 HB1 LEU 36 -3.055 5.554 4.138 254 HG LEU 36 HG LEU 36 -4.501 6.526 2.339 255 HD11 LEU 36 HD11 LEU 36 -2.344 5.433 0.547 256 HD12 LEU 36 HD12 LEU 36 -2.848 7.115 0.706 257 HD13 LEU 36 HD13 LEU 36 -3.946 5.928 0.009 258 HD21 LEU 36 HD21 LEU 36 -5.138 4.356 1.386 259 HD22 LEU 36 HD22 LEU 36 -4.843 4.249 3.121 260 HD23 LEU 36 HD23 LEU 36 -3.634 3.657 1.982 261 H LYS 37 HN LYS 37 -3.000 9.310 2.219 262 HA LYS 37 HA LYS 37 -4.798 10.033 4.445 263 HB2 LYS 37 HB2 LYS 37 -3.473 11.749 2.336 264 HB3 LYS 37 HB1 LYS 37 -4.774 12.336 3.362 265 HG2 LYS 37 HG2 LYS 37 -2.127 11.298 4.360 266 HG3 LYS 37 HG1 LYS 37 -2.524 12.999 4.123 267 HD2 LYS 37 HD2 LYS 37 -4.504 12.556 5.696 268 HD3 LYS 37 HD1 LYS 37 -3.663 11.063 6.116 269 HE2 LYS 37 HE2 LYS 37 -3.090 12.769 7.714 270 HE3 LYS 37 HE1 LYS 37 -1.676 12.399 6.728 271 HZ1 LYS 37 HZ1 LYS 37 -2.107 14.377 5.421 272 HZ2 LYS 37 HZ2 LYS 37 -1.963 14.782 7.055 273 HZ3 LYS 37 HZ3 LYS 37 -3.489 14.720 6.332 274 H HIS 38 HN HIS 38 -6.837 9.436 4.046 275 HA HIS 38 HA HIS 38 -7.763 9.391 1.264 276 HB2 HIS 38 HB2 HIS 38 -8.194 7.403 2.707 277 HB3 HIS 38 HB1 HIS 38 -9.200 8.414 3.748 278 HD1 HIS 38 HD1 HIS 38 -9.501 8.986 0.088 279 HD2 HIS 38 HD2 HIS 38 -11.378 6.723 3.030 280 HE1 HIS 38 HE1 HIS 38 -11.710 8.287 -0.893 281 HE2 HIS 38 HE2 HIS 38 -12.661 6.670 0.797 282 H THR 39 HN THR 39 -8.200 11.410 0.686 283 HA THR 39 HA THR 39 -9.373 13.322 2.492 284 HB THR 39 HB THR 39 -7.613 13.924 0.835 285 HG1 THR 39 HG1 THR 39 -8.575 15.889 0.264 286 HG21 THR 39 HG21 THR 39 -9.819 13.507 -1.185 287 HG22 THR 39 HG22 THR 39 -8.344 12.554 -1.041 288 HG23 THR 39 HG23 THR 39 -8.254 14.248 -1.518 289 H GLY 40 HN GLY 40 -10.714 10.881 0.789 290 HA2 GLY 40 HA2 GLY 40 -13.010 12.353 -0.246 291 HA3 GLY 40 HA1 GLY 40 -12.689 10.638 -0.476 292 H THR 41 HN THR 41 -14.821 12.617 0.844 293 HA THR 41 HA THR 41 -15.126 11.449 3.461 294 HB THR 41 HB THR 41 -17.110 13.225 2.038 295 HG1 THR 41 HG1 THR 41 -14.665 13.842 3.343 296 HG21 THR 41 HG21 THR 41 -16.460 12.813 4.962 297 HG22 THR 41 HG22 THR 41 -17.876 12.185 4.121 298 HG23 THR 41 HG23 THR 41 -17.669 13.925 4.323 299 H GLN 42 HN GLN 42 -15.202 9.278 2.276 300 HA GLN 42 HA GLN 42 -18.024 8.517 2.041 301 HB2 GLN 42 HB2 GLN 42 -15.775 7.748 0.180 302 HB3 GLN 42 HB1 GLN 42 -17.261 6.816 0.293 303 HG2 GLN 42 HG2 GLN 42 -17.196 9.747 -0.376 304 HG3 GLN 42 HG1 GLN 42 -17.140 8.469 -1.591 305 HE21 GLN 42 HE21 GLN 42 -19.069 9.150 -2.506 306 HE22 GLN 42 HE22 GLN 42 -20.597 8.886 -1.746 307 HA PRO 43 HA PRO 43 -16.931 5.664 5.189 308 HB2 PRO 43 HB2 PRO 43 -18.791 3.715 4.713 309 HB3 PRO 43 HB1 PRO 43 -19.155 5.250 5.510 310 HG2 PRO 43 HG2 PRO 43 -19.557 4.452 2.654 311 HG3 PRO 43 HG1 PRO 43 -20.651 5.346 3.733 312 HD2 PRO 43 HD2 PRO 43 -19.149 6.598 1.884 313 HD3 PRO 43 HD1 PRO 43 -19.477 7.336 3.469 314 H LYS 44 HN LYS 44 -15.946 3.663 5.567 315 HA LYS 44 HA LYS 44 -14.123 3.054 3.488 316 HB2 LYS 44 HB2 LYS 44 -13.044 1.585 5.066 317 HB3 LYS 44 HB1 LYS 44 -13.517 3.063 5.888 318 HG2 LYS 44 HG2 LYS 44 -15.483 1.883 6.802 319 HG3 LYS 44 HG1 LYS 44 -14.912 0.401 6.034 320 HD2 LYS 44 HD2 LYS 44 -12.791 0.634 7.320 321 HD3 LYS 44 HD1 LYS 44 -13.507 2.004 8.167 322 HE2 LYS 44 HE2 LYS 44 -14.566 -0.817 8.156 323 HE3 LYS 44 HE1 LYS 44 -13.676 -0.059 9.470 324 HZ1 LYS 44 HZ1 LYS 44 -16.295 0.881 8.436 325 HZ2 LYS 44 HZ2 LYS 44 -15.450 1.519 9.754 326 HZ3 LYS 44 HZ3 LYS 44 -16.078 -0.048 9.832 327 H ALA 45 HN ALA 45 -17.124 1.657 4.373 328 HA ALA 45 HA ALA 45 -16.584 -0.898 3.137 329 HB1 ALA 45 HB1 ALA 45 -19.181 0.295 4.098 330 HB2 ALA 45 HB2 ALA 45 -18.116 -0.765 5.023 331 HB3 ALA 45 HB3 ALA 45 -18.939 -1.376 3.588 332 H SER 46 HN SER 46 -17.382 2.174 2.020 333 HA SER 46 HA SER 46 -18.617 1.073 -0.415 334 HB2 SER 46 HB2 SER 46 -18.707 3.934 0.566 335 HB3 SER 46 HB1 SER 46 -19.616 3.246 -0.778 336 HG SER 46 HG SER 46 -20.301 1.714 1.103 337 H MET 47 HN MET 47 -16.337 3.532 0.746 338 HA MET 47 HA MET 47 -14.760 3.133 -1.693 339 HB2 MET 47 HB2 MET 47 -16.204 5.173 -1.951 340 HB3 MET 47 HB1 MET 47 -15.405 5.860 -0.548 341 HG2 MET 47 HG2 MET 47 -14.408 6.799 -2.493 342 HG3 MET 47 HG1 MET 47 -13.242 5.698 -1.762 343 HE1 MET 47 HE1 MET 47 -16.393 4.856 -4.075 344 HE2 MET 47 HE2 MET 47 -15.592 4.902 -5.643 345 HE3 MET 47 HE3 MET 47 -15.703 6.366 -4.667 346 H GLY 48 HN GLY 48 -13.891 1.823 0.247 347 HA2 GLY 48 HA2 GLY 48 -12.166 3.421 1.976 348 HA3 GLY 48 HA1 GLY 48 -12.417 1.678 2.075 349 H HIS 49 HN HIS 49 -9.897 3.089 2.064 350 HA HIS 49 HA HIS 49 -8.744 1.783 -0.297 351 HB2 HIS 49 HB2 HIS 49 -7.986 4.547 0.689 352 HB3 HIS 49 HB1 HIS 49 -7.119 3.648 -0.550 353 HD2 HIS 49 HD2 HIS 49 -9.462 6.414 -0.420 354 HE1 HIS 49 HE1 HIS 49 -10.474 4.362 -3.974 355 HE2 HIS 49 HE2 HIS 49 -10.486 6.602 -2.800 356 H ASN 50 HN ASN 50 -6.730 0.902 -0.012 357 HA ASN 50 HA ASN 50 -5.278 1.432 2.454 358 HB2 ASN 50 HB2 ASN 50 -4.962 -0.927 2.983 359 HB3 ASN 50 HB1 ASN 50 -6.676 -0.541 2.985 360 HD21 ASN 50 HD21 ASN 50 -5.501 -3.121 2.734 361 HD22 ASN 50 HD22 ASN 50 -5.968 -3.757 1.193 362 H LEU 51 HN LEU 51 -3.040 0.767 2.318 363 HA LEU 51 HA LEU 51 -2.168 0.438 -0.474 364 HB2 LEU 51 HB2 LEU 51 -1.671 2.666 0.528 365 HB3 LEU 51 HB1 LEU 51 -0.696 1.865 1.748 366 HG LEU 51 HG LEU 51 -0.003 1.396 -1.112 367 HD11 LEU 51 HD11 LEU 51 0.652 3.923 0.397 368 HD12 LEU 51 HD12 LEU 51 -0.367 3.801 -1.036 369 HD13 LEU 51 HD13 LEU 51 1.355 3.439 -1.144 370 HD21 LEU 51 HD21 LEU 51 1.198 0.258 0.704 371 HD22 LEU 51 HD22 LEU 51 1.643 1.823 1.382 372 HD23 LEU 51 HD23 LEU 51 2.255 1.343 -0.200 373 H VAL 52 HN VAL 52 -1.505 -1.537 -0.786 374 HA VAL 52 HA VAL 52 -0.093 -2.956 1.373 375 HB VAL 52 HB VAL 52 -1.563 -4.107 -1.005 376 HG11 VAL 52 HG11 VAL 52 -0.339 -5.483 1.379 377 HG12 VAL 52 HG12 VAL 52 0.274 -5.527 -0.275 378 HG13 VAL 52 HG13 VAL 52 -1.284 -6.262 0.110 379 HG21 VAL 52 HG21 VAL 52 -3.117 -3.104 0.563 380 HG22 VAL 52 HG22 VAL 52 -2.362 -3.969 1.900 381 HG23 VAL 52 HG23 VAL 52 -3.224 -4.861 0.651 382 H ILE 53 HN ILE 53 1.930 -3.700 1.039 383 HA ILE 53 HA ILE 53 3.087 -3.324 -1.649 384 HB ILE 53 HB ILE 53 4.385 -2.995 1.059 385 HG12 ILE 53 HG12 ILE 53 3.988 -1.085 -1.258 386 HG13 ILE 53 HG11 ILE 53 3.100 -1.063 0.262 387 HG21 ILE 53 HG21 ILE 53 5.698 -2.950 -1.657 388 HG22 ILE 53 HG22 ILE 53 5.924 -4.179 -0.414 389 HG23 ILE 53 HG23 ILE 53 6.478 -2.528 -0.133 390 HD11 ILE 53 HD11 ILE 53 6.051 -0.575 -0.057 391 HD12 ILE 53 HD12 ILE 53 5.149 -0.521 1.458 392 HD13 ILE 53 HD13 ILE 53 4.817 0.660 0.189 393 H ALA 54 HN ALA 54 3.697 -5.102 -2.632 394 HA ALA 54 HA ALA 54 4.859 -7.311 -1.119 395 HB1 ALA 54 HB1 ALA 54 2.537 -7.694 -3.011 396 HB2 ALA 54 HB2 ALA 54 2.469 -7.849 -1.256 397 HB3 ALA 54 HB3 ALA 54 3.440 -8.976 -2.203 398 H LYS 55 HN LYS 55 5.792 -8.974 -2.660 399 HA LYS 55 HA LYS 55 7.433 -7.681 -4.575 400 HB2 LYS 55 HB2 LYS 55 6.924 -10.600 -3.997 401 HB3 LYS 55 HB1 LYS 55 8.055 -10.060 -5.227 402 HG2 LYS 55 HG2 LYS 55 9.309 -8.837 -3.495 403 HG3 LYS 55 HG1 LYS 55 8.205 -9.480 -2.278 404 HD2 LYS 55 HD2 LYS 55 10.262 -10.777 -2.355 405 HD3 LYS 55 HD1 LYS 55 8.888 -11.760 -2.876 406 HE2 LYS 55 HE2 LYS 55 9.503 -11.397 -5.210 407 HE3 LYS 55 HE1 LYS 55 10.847 -10.372 -4.710 408 HZ1 LYS 55 HZ1 LYS 55 11.572 -12.610 -5.245 409 HZ2 LYS 55 HZ2 LYS 55 10.544 -13.250 -4.065 410 HZ3 LYS 55 HZ3 LYS 55 11.847 -12.265 -3.607 411 H ALA 56 HN ALA 56 7.429 -7.734 -6.773 412 HA ALA 56 HA ALA 56 4.944 -7.474 -8.015 413 HB1 ALA 56 HB1 ALA 56 6.206 -7.235 -10.089 414 HB2 ALA 56 HB2 ALA 56 7.645 -7.863 -9.286 415 HB3 ALA 56 HB3 ALA 56 6.952 -6.325 -8.773 416 H GLU 57 HN GLU 57 6.977 -10.269 -7.644 417 HA GLU 57 HA GLU 57 5.705 -11.739 -9.766 418 HB2 GLU 57 HB2 GLU 57 7.068 -13.634 -9.014 419 HB3 GLU 57 HB1 GLU 57 8.034 -12.188 -9.253 420 HG2 GLU 57 HG2 GLU 57 8.030 -11.804 -6.828 421 HG3 GLU 57 HG1 GLU 57 7.098 -13.284 -6.612 422 H ASP 58 HN ASP 58 4.932 -11.095 -6.510 423 HA ASP 58 HA ASP 58 3.049 -13.363 -6.514 424 HB2 ASP 58 HB2 ASP 58 4.747 -12.320 -4.268 425 HB3 ASP 58 HB1 ASP 58 3.249 -13.179 -3.943 426 H MET 59 HN MET 59 3.002 -10.304 -7.083 427 HA MET 59 HA MET 59 1.414 -9.120 -5.065 428 HB2 MET 59 HB2 MET 59 2.797 -7.912 -6.815 429 HB3 MET 59 HB1 MET 59 1.511 -8.279 -7.963 430 HG2 MET 59 HG2 MET 59 1.257 -6.039 -7.119 431 HG3 MET 59 HG1 MET 59 -0.075 -7.048 -6.559 432 HE1 MET 59 HE1 MET 59 0.452 -4.574 -3.563 433 HE2 MET 59 HE2 MET 59 -0.710 -5.239 -4.712 434 HE3 MET 59 HE3 MET 59 0.607 -4.212 -5.283 435 H ASP 60 HN ASP 60 0.634 -10.848 -8.027 436 HA ASP 60 HA ASP 60 -2.095 -10.175 -8.147 437 HB2 ASP 60 HB2 ASP 60 -0.925 -11.145 -10.061 438 HB3 ASP 60 HB1 ASP 60 -0.699 -12.649 -9.175 439 H GLY 61 HN GLY 61 -0.381 -12.826 -6.575 440 HA2 GLY 61 HA2 GLY 61 -2.660 -14.251 -5.695 441 HA3 GLY 61 HA1 GLY 61 -1.047 -14.359 -5.001 442 H VAL 62 HN VAL 62 -0.933 -11.504 -4.422 443 HA VAL 62 HA VAL 62 -1.970 -11.525 -1.810 444 HB VAL 62 HB VAL 62 -1.002 -9.215 -3.507 445 HG11 VAL 62 HG11 VAL 62 -2.475 -8.390 -1.740 446 HG12 VAL 62 HG12 VAL 62 -0.796 -7.956 -1.422 447 HG13 VAL 62 HG13 VAL 62 -1.544 -9.285 -0.538 448 HG21 VAL 62 HG21 VAL 62 0.335 -10.822 -1.327 449 HG22 VAL 62 HG22 VAL 62 1.032 -9.418 -2.134 450 HG23 VAL 62 HG23 VAL 62 0.706 -10.890 -3.050 451 H PHE 63 HN PHE 63 -3.157 -10.024 -4.802 452 HA PHE 63 HA PHE 63 -5.413 -8.762 -3.662 453 HB2 PHE 63 HB2 PHE 63 -4.976 -9.776 -6.481 454 HB3 PHE 63 HB1 PHE 63 -6.348 -8.788 -5.984 455 HD1 PHE 63 HD1 PHE 63 -5.700 -6.538 -4.785 456 HD2 PHE 63 HD2 PHE 63 -3.135 -8.736 -7.367 457 HE1 PHE 63 HE1 PHE 63 -4.390 -4.503 -5.200 458 HE2 PHE 63 HE2 PHE 63 -1.818 -6.704 -7.791 459 HZ PHE 63 HZ PHE 63 -2.452 -4.582 -6.722 460 H LYS 64 HN LYS 64 -4.839 -12.018 -4.812 461 HA LYS 64 HA LYS 64 -7.527 -12.872 -4.940 462 HB2 LYS 64 HB2 LYS 64 -5.083 -14.553 -4.358 463 HB3 LYS 64 HB1 LYS 64 -6.636 -15.142 -4.929 464 HG2 LYS 64 HG2 LYS 64 -4.685 -13.414 -6.436 465 HG3 LYS 64 HG1 LYS 64 -5.098 -15.097 -6.759 466 HD2 LYS 64 HD2 LYS 64 -7.385 -14.437 -7.303 467 HD3 LYS 64 HD1 LYS 64 -6.988 -12.753 -6.956 468 HE2 LYS 64 HE2 LYS 64 -5.319 -12.789 -8.753 469 HE3 LYS 64 HE1 LYS 64 -5.747 -14.462 -9.106 470 HZ1 LYS 64 HZ1 LYS 64 -8.015 -13.697 -9.585 471 HZ2 LYS 64 HZ2 LYS 64 -6.871 -13.015 -10.623 472 HZ3 LYS 64 HZ3 LYS 64 -7.518 -12.097 -9.360 473 H ASP 65 HN ASP 65 -5.139 -12.855 -2.357 474 HA ASP 65 HA ASP 65 -6.836 -14.160 -0.449 475 HB2 ASP 65 HB2 ASP 65 -4.421 -12.404 0.037 476 HB3 ASP 65 HB1 ASP 65 -5.174 -13.472 1.212 477 H GLY 66 HN GLY 66 -6.133 -10.882 -1.396 478 HA2 GLY 66 HA2 GLY 66 -7.061 -9.527 0.859 479 HA3 GLY 66 HA1 GLY 66 -6.965 -8.851 -0.759 480 H VAL 67 HN VAL 67 -8.798 -10.280 -2.144 481 HA VAL 67 HA VAL 67 -11.182 -8.973 -1.373 482 HB VAL 67 HB VAL 67 -10.894 -11.227 -3.372 483 HG11 VAL 67 HG11 VAL 67 -13.212 -10.720 -2.778 484 HG12 VAL 67 HG12 VAL 67 -12.859 -10.239 -4.436 485 HG13 VAL 67 HG13 VAL 67 -12.944 -9.021 -3.164 486 HG21 VAL 67 HG21 VAL 67 -10.633 -9.443 -5.056 487 HG22 VAL 67 HG22 VAL 67 -9.304 -9.476 -3.897 488 HG23 VAL 67 HG23 VAL 67 -10.566 -8.252 -3.758 489 H GLY 68 HN GLY 68 -9.832 -11.966 -0.447 490 HA2 GLY 68 HA2 GLY 68 -12.437 -12.990 0.446 491 HA3 GLY 68 HA1 GLY 68 -10.960 -13.933 0.319 492 H ALA 69 HN ALA 69 -10.308 -10.933 1.703 493 HA ALA 69 HA ALA 69 -10.562 -12.077 4.407 494 HB1 ALA 69 HB1 ALA 69 -8.248 -12.257 3.625 495 HB2 ALA 69 HB2 ALA 69 -8.394 -11.160 5.000 496 HB3 ALA 69 HB3 ALA 69 -8.207 -10.512 3.370 497 H ALA 70 HN ALA 70 -12.579 -10.580 3.814 498 HA ALA 70 HA ALA 70 -12.265 -7.778 4.184 499 HB1 ALA 70 HB1 ALA 70 -14.683 -9.512 4.686 500 HB2 ALA 70 HB2 ALA 70 -14.264 -8.746 3.154 501 HB3 ALA 70 HB3 ALA 70 -14.682 -7.755 4.552 502 H ASP 71 HN ASP 71 -12.013 -10.391 6.272 503 HA ASP 71 HA ASP 71 -13.051 -9.546 8.686 504 HB2 ASP 71 HB2 ASP 71 -12.173 -11.790 8.337 505 HB3 ASP 71 HB1 ASP 71 -10.542 -11.151 8.161 506 H THR 72 HN THR 72 -9.858 -8.844 7.307 507 HA THR 72 HA THR 72 -9.297 -7.118 9.606 508 HB THR 72 HB THR 72 -6.942 -7.121 8.658 509 HG1 THR 72 HG1 THR 72 -6.656 -9.090 7.245 510 HG21 THR 72 HG21 THR 72 -7.547 -8.526 10.562 511 HG22 THR 72 HG22 THR 72 -6.428 -9.381 9.498 512 HG23 THR 72 HG23 THR 72 -8.148 -9.773 9.468 513 H ASP 73 HN ASP 73 -7.818 -6.819 6.481 514 HA ASP 73 HA ASP 73 -9.221 -4.325 5.882 515 HB2 ASP 73 HB2 ASP 73 -6.202 -4.541 6.076 516 HB3 ASP 73 HB1 ASP 73 -7.085 -3.142 5.475 517 H TYR 74 HN TYR 74 -9.364 -6.890 4.735 518 HA TYR 74 HA TYR 74 -9.238 -8.040 2.805 519 HB2 TYR 74 HB2 TYR 74 -8.603 -5.308 1.672 520 HB3 TYR 74 HB1 TYR 74 -8.895 -6.742 0.683 521 HD1 TYR 74 HD1 TYR 74 -11.155 -8.001 1.230 522 HD2 TYR 74 HD2 TYR 74 -10.383 -3.921 2.145 523 HE1 TYR 74 HE1 TYR 74 -13.575 -7.562 1.289 524 HE2 TYR 74 HE2 TYR 74 -12.799 -3.472 2.209 525 HH TYR 74 HH TYR 74 -14.887 -4.442 1.282 526 H VAL 75 HN VAL 75 -7.165 -8.276 4.442 527 HA VAL 75 HA VAL 75 -5.061 -9.109 2.624 528 HB VAL 75 HB VAL 75 -3.304 -8.315 4.305 529 HG11 VAL 75 HG11 VAL 75 -3.535 -7.285 2.109 530 HG12 VAL 75 HG12 VAL 75 -3.139 -6.075 3.328 531 HG13 VAL 75 HG13 VAL 75 -4.790 -6.216 2.731 532 HG21 VAL 75 HG21 VAL 75 -3.867 -6.354 5.656 533 HG22 VAL 75 HG22 VAL 75 -4.815 -7.762 6.136 534 HG23 VAL 75 HG23 VAL 75 -5.553 -6.493 5.157 535 H LYS 76 HN LYS 76 -4.361 -11.146 3.226 536 HA LYS 76 HA LYS 76 -5.702 -12.317 5.472 537 HB2 LYS 76 HB2 LYS 76 -4.793 -14.420 4.809 538 HB3 LYS 76 HB1 LYS 76 -5.300 -13.577 3.359 539 HG2 LYS 76 HG2 LYS 76 -3.042 -13.102 2.759 540 HG3 LYS 76 HG1 LYS 76 -2.449 -13.683 4.320 541 HD2 LYS 76 HD2 LYS 76 -3.459 -15.918 3.746 542 HD3 LYS 76 HD1 LYS 76 -3.737 -15.295 2.121 543 HE2 LYS 76 HE2 LYS 76 -1.031 -15.380 3.435 544 HE3 LYS 76 HE1 LYS 76 -1.657 -16.675 2.421 545 HZ1 LYS 76 HZ1 LYS 76 -0.320 -15.313 1.068 546 HZ2 LYS 76 HZ2 LYS 76 -1.043 -13.891 1.624 547 HZ3 LYS 76 HZ3 LYS 76 -1.920 -14.953 0.639 548 HA PRO 77 HA PRO 77 -2.763 -11.169 8.468 549 HB2 PRO 77 HB2 PRO 77 -3.514 -12.786 10.499 550 HB3 PRO 77 HB1 PRO 77 -4.493 -11.415 9.954 551 HG2 PRO 77 HG2 PRO 77 -4.777 -14.326 9.298 552 HG3 PRO 77 HG1 PRO 77 -6.034 -13.154 9.738 553 HD2 PRO 77 HD2 PRO 77 -5.552 -13.880 7.173 554 HD3 PRO 77 HD1 PRO 77 -6.108 -12.248 7.611 555 H ASP 78 HN ASP 78 -1.953 -13.407 6.604 556 HA ASP 78 HA ASP 78 -0.172 -14.948 8.308 557 HB2 ASP 78 HB2 ASP 78 -0.547 -14.843 5.310 558 HB3 ASP 78 HB1 ASP 78 0.684 -15.825 6.093 559 H ASP 79 HN ASP 79 -0.155 -12.200 6.148 560 HA ASP 79 HA ASP 79 1.434 -10.645 5.617 561 HB2 ASP 79 HB2 ASP 79 1.945 -11.154 8.544 562 HB3 ASP 79 HB1 ASP 79 2.758 -9.873 7.653 563 H ALA 80 HN ALA 80 2.301 -13.021 4.625 564 HA ALA 80 HA ALA 80 5.156 -13.077 5.286 565 HB1 ALA 80 HB1 ALA 80 5.267 -15.204 4.147 566 HB2 ALA 80 HB2 ALA 80 3.590 -15.050 3.633 567 HB3 ALA 80 HB3 ALA 80 3.971 -15.235 5.342 568 H ARG 81 HN ARG 81 3.159 -13.360 2.331 569 HA ARG 81 HA ARG 81 5.241 -12.322 0.662 570 HB2 ARG 81 HB2 ARG 81 2.300 -12.818 0.171 571 HB3 ARG 81 HB1 ARG 81 3.384 -12.194 -1.064 572 HG2 ARG 81 HG2 ARG 81 4.729 -14.208 -0.943 573 HG3 ARG 81 HG1 ARG 81 3.706 -14.830 0.354 574 HD2 ARG 81 HD2 ARG 81 1.815 -14.960 -1.123 575 HD3 ARG 81 HD1 ARG 81 2.706 -14.141 -2.404 576 HE ARG 81 HE ARG 81 4.215 -16.335 -1.868 577 HH11 ARG 81 HH11 ARG 81 0.841 -15.868 -2.679 578 HH12 ARG 81 HH12 ARG 81 0.712 -17.367 -3.541 579 HH21 ARG 81 HH21 ARG 81 4.046 -18.308 -3.002 580 HH22 ARG 81 HH22 ARG 81 2.532 -18.759 -3.722 581 H VAL 82 HN VAL 82 2.726 -10.992 2.554 582 HA VAL 82 HA VAL 82 2.859 -8.381 1.293 583 HB VAL 82 HB VAL 82 1.366 -9.253 3.777 584 HG11 VAL 82 HG11 VAL 82 1.122 -6.753 2.105 585 HG12 VAL 82 HG12 VAL 82 1.794 -6.858 3.732 586 HG13 VAL 82 HG13 VAL 82 0.082 -7.186 3.462 587 HG21 VAL 82 HG21 VAL 82 -0.630 -9.277 2.356 588 HG22 VAL 82 HG22 VAL 82 0.570 -10.443 1.798 589 HG23 VAL 82 HG23 VAL 82 0.366 -8.910 0.948 590 H VAL 83 HN VAL 83 4.541 -7.143 1.766 591 HA VAL 83 HA VAL 83 6.105 -7.605 4.139 592 HB VAL 83 HB VAL 83 6.397 -5.535 1.957 593 HG11 VAL 83 HG11 VAL 83 8.641 -5.145 2.855 594 HG12 VAL 83 HG12 VAL 83 8.303 -6.253 4.183 595 HG13 VAL 83 HG13 VAL 83 7.398 -4.747 4.040 596 HG21 VAL 83 HG21 VAL 83 8.300 -6.952 1.260 597 HG22 VAL 83 HG22 VAL 83 6.745 -7.776 1.137 598 HG23 VAL 83 HG23 VAL 83 7.832 -8.135 2.481 599 H ALA 84 HN ALA 84 3.913 -5.138 2.929 600 HA ALA 84 HA ALA 84 3.492 -4.172 5.622 601 HB1 ALA 84 HB1 ALA 84 5.431 -2.858 4.855 602 HB2 ALA 84 HB2 ALA 84 4.006 -1.856 5.130 603 HB3 ALA 84 HB3 ALA 84 4.478 -2.283 3.486 604 H HIS 85 HN HIS 85 1.591 -2.886 5.818 605 HA HIS 85 HA HIS 85 0.003 -2.234 3.529 606 HB2 HIS 85 HB2 HIS 85 -1.916 -3.705 4.065 607 HB3 HIS 85 HB1 HIS 85 -0.500 -4.621 3.571 608 HD1 HIS 85 HD1 HIS 85 -2.965 -4.336 6.252 609 HD2 HIS 85 HD2 HIS 85 0.862 -5.891 5.817 610 HE1 HIS 85 HE1 HIS 85 -2.653 -5.922 8.175 611 HE2 HIS 85 HE2 HIS 85 -0.429 -7.026 7.740 612 H THR 86 HN THR 86 -1.444 -0.671 4.011 613 HA THR 86 HA THR 86 -1.614 0.238 6.762 614 HB THR 86 HB THR 86 -2.948 2.108 5.848 615 HG1 THR 86 HG1 THR 86 -3.956 1.704 4.047 616 HG21 THR 86 HG21 THR 86 -0.453 2.212 5.843 617 HG22 THR 86 HG22 THR 86 -1.214 3.203 4.599 618 HG23 THR 86 HG23 THR 86 -0.483 1.659 4.168 619 H LYS 87 HN LYS 87 -3.678 0.621 7.794 620 HA LYS 87 HA LYS 87 -5.591 -1.483 7.327 621 HB2 LYS 87 HB2 LYS 87 -5.657 0.816 9.297 622 HB3 LYS 87 HB1 LYS 87 -6.706 -0.594 9.322 623 HG2 LYS 87 HG2 LYS 87 -4.853 -2.039 9.800 624 HG3 LYS 87 HG1 LYS 87 -3.712 -0.709 9.599 625 HD2 LYS 87 HD2 LYS 87 -4.764 0.435 11.517 626 HD3 LYS 87 HD1 LYS 87 -5.825 -0.958 11.736 627 HE2 LYS 87 HE2 LYS 87 -3.906 -1.019 13.262 628 HE3 LYS 87 HE1 LYS 87 -3.909 -2.386 12.151 629 HZ1 LYS 87 HZ1 LYS 87 -1.703 -1.405 12.402 630 HZ2 LYS 87 HZ2 LYS 87 -2.278 0.074 11.822 631 HZ3 LYS 87 HZ3 LYS 87 -2.254 -1.281 10.809 632 H LEU 88 HN LEU 88 -7.835 -1.130 6.927 633 HA LEU 88 HA LEU 88 -8.350 0.595 4.773 634 HB2 LEU 88 HB2 LEU 88 -10.140 -0.955 6.614 635 HB3 LEU 88 HB1 LEU 88 -10.810 0.090 5.379 636 HG LEU 88 HG LEU 88 -9.052 -2.322 4.911 637 HD11 LEU 88 HD11 LEU 88 -11.371 -2.797 5.618 638 HD12 LEU 88 HD12 LEU 88 -11.043 -3.308 3.966 639 HD13 LEU 88 HD13 LEU 88 -11.957 -1.830 4.263 640 HD21 LEU 88 HD21 LEU 88 -8.629 -0.562 3.249 641 HD22 LEU 88 HD22 LEU 88 -10.357 -0.462 2.917 642 HD23 LEU 88 HD23 LEU 88 -9.469 -1.936 2.536 643 H ILE 89 HN ILE 89 -8.965 2.630 4.632 644 HA ILE 89 HA ILE 89 -9.957 3.959 7.060 645 HB ILE 89 HB ILE 89 -8.773 6.027 6.278 646 HG12 ILE 89 HG12 ILE 89 -7.265 4.069 4.526 647 HG13 ILE 89 HG11 ILE 89 -8.398 5.282 3.940 648 HG21 ILE 89 HG21 ILE 89 -6.605 5.346 7.197 649 HG22 ILE 89 HG22 ILE 89 -7.072 3.654 7.023 650 HG23 ILE 89 HG23 ILE 89 -7.951 4.702 8.136 651 HD11 ILE 89 HD11 ILE 89 -6.136 6.039 3.634 652 HD12 ILE 89 HD12 ILE 89 -5.788 5.796 5.344 653 HD13 ILE 89 HD13 ILE 89 -6.933 7.040 4.846 654 H GLY 90 HN GLY 90 -11.660 5.253 6.838 655 HA2 GLY 90 HA2 GLY 90 -12.810 5.541 4.147 656 HA3 GLY 90 HA1 GLY 90 -13.698 5.678 5.660 657 H GLY 91 HN GLY 91 -14.581 7.681 5.239 658 HA2 GLY 91 HA2 GLY 91 -13.131 9.838 4.123 659 HA3 GLY 91 HA1 GLY 91 -14.696 9.943 4.911 660 H GLY 92 HN GLY 92 -11.666 11.124 5.039 661 HA2 GLY 92 HA2 GLY 92 -10.759 12.587 6.584 662 HA3 GLY 92 HA1 GLY 92 -12.130 12.258 7.637 663 H GLU 93 HN GLU 93 -10.339 9.584 6.435 664 HA GLU 93 HA GLU 93 -9.120 9.243 9.093 665 HB2 GLU 93 HB2 GLU 93 -10.104 7.142 7.151 666 HB3 GLU 93 HB1 GLU 93 -9.285 6.804 8.672 667 HG2 GLU 93 HG2 GLU 93 -11.893 8.292 8.472 668 HG3 GLU 93 HG1 GLU 93 -11.769 6.551 8.718 669 H GLU 94 HN GLU 94 -7.038 8.253 9.151 670 HA GLU 94 HA GLU 94 -5.655 8.005 6.593 671 HB2 GLU 94 HB2 GLU 94 -3.781 9.362 7.265 672 HB3 GLU 94 HB1 GLU 94 -5.245 10.322 7.415 673 HG2 GLU 94 HG2 GLU 94 -3.918 8.938 9.730 674 HG3 GLU 94 HG1 GLU 94 -3.569 10.597 9.247 675 H SER 95 HN SER 95 -3.884 6.625 6.621 676 HA SER 95 HA SER 95 -3.368 5.219 9.139 677 HB2 SER 95 HB2 SER 95 -3.243 3.091 7.683 678 HB3 SER 95 HB1 SER 95 -4.844 3.707 8.087 679 HG SER 95 HG SER 95 -5.104 3.599 6.002 680 H SER 96 HN SER 96 -1.263 4.255 9.264 681 HA SER 96 HA SER 96 0.580 4.987 7.129 682 HB2 SER 96 HB2 SER 96 2.163 5.952 8.835 683 HB3 SER 96 HB1 SER 96 0.701 6.910 8.582 684 HG SER 96 HG SER 96 -0.155 5.984 10.480 685 H LEU 97 HN LEU 97 2.418 3.737 7.033 686 HA LEU 97 HA LEU 97 2.637 1.571 9.005 687 HB2 LEU 97 HB2 LEU 97 3.218 0.005 7.195 688 HB3 LEU 97 HB1 LEU 97 1.577 0.612 7.055 689 HG LEU 97 HG LEU 97 2.621 2.315 5.368 690 HD11 LEU 97 HD11 LEU 97 4.673 0.109 5.263 691 HD12 LEU 97 HD12 LEU 97 4.962 1.751 5.826 692 HD13 LEU 97 HD13 LEU 97 4.537 1.460 4.139 693 HD21 LEU 97 HD21 LEU 97 1.021 0.509 4.828 694 HD22 LEU 97 HD22 LEU 97 2.382 -0.588 4.606 695 HD23 LEU 97 HD23 LEU 97 2.193 0.805 3.545 696 H THR 98 HN THR 98 4.751 0.779 9.329 697 HA THR 98 HA THR 98 6.885 2.335 8.043 698 HB THR 98 HB THR 98 6.886 1.374 10.913 699 HG1 THR 98 HG1 THR 98 6.939 4.083 10.071 700 HG21 THR 98 HG21 THR 98 8.959 2.667 11.107 701 HG22 THR 98 HG22 THR 98 8.874 3.061 9.389 702 HG23 THR 98 HG23 THR 98 9.114 1.390 9.901 703 H LEU 99 HN LEU 99 8.153 1.074 6.883 704 HA LEU 99 HA LEU 99 8.175 -1.796 7.514 705 HB2 LEU 99 HB2 LEU 99 8.501 -2.169 5.071 706 HB3 LEU 99 HB1 LEU 99 6.947 -1.482 5.499 707 HG LEU 99 HG LEU 99 8.051 0.792 4.881 708 HD11 LEU 99 HD11 LEU 99 9.842 -1.125 3.391 709 HD12 LEU 99 HD12 LEU 99 10.339 -0.020 4.672 710 HD13 LEU 99 HD13 LEU 99 9.755 0.617 3.134 711 HD21 LEU 99 HD21 LEU 99 7.319 -1.282 2.819 712 HD22 LEU 99 HD22 LEU 99 7.428 0.451 2.516 713 HD23 LEU 99 HD23 LEU 99 6.221 -0.172 3.641 714 H ASP 100 HN ASP 100 10.056 -2.975 6.846 715 HA ASP 100 HA ASP 100 12.499 -1.479 7.343 716 HB2 ASP 100 HB2 ASP 100 12.255 -3.468 8.654 717 HB3 ASP 100 HB1 ASP 100 11.851 -4.426 7.236 718 HA PRO 101 HA PRO 101 13.155 -1.148 2.914 719 HB2 PRO 101 HB2 PRO 101 15.882 -0.426 3.823 720 HB3 PRO 101 HB1 PRO 101 14.783 0.451 2.756 721 HG2 PRO 101 HG2 PRO 101 15.218 1.254 5.273 722 HG3 PRO 101 HG1 PRO 101 13.624 1.407 4.506 723 HD2 PRO 101 HD2 PRO 101 14.568 -0.556 6.546 724 HD3 PRO 101 HD1 PRO 101 12.967 0.184 6.341 725 H ALA 102 HN ALA 102 15.099 -3.014 5.138 726 HA ALA 102 HA ALA 102 16.778 -4.191 3.159 727 HB1 ALA 102 HB1 ALA 102 17.489 -5.705 4.929 728 HB2 ALA 102 HB2 ALA 102 16.171 -5.140 5.955 729 HB3 ALA 102 HB3 ALA 102 17.467 -4.036 5.496 730 H LYS 103 HN LYS 103 13.607 -4.880 4.396 731 HA LYS 103 HA LYS 103 13.441 -7.567 3.457 732 HB2 LYS 103 HB2 LYS 103 11.282 -5.532 4.040 733 HB3 LYS 103 HB1 LYS 103 10.961 -7.207 3.617 734 HG2 LYS 103 HG2 LYS 103 12.207 -7.920 5.623 735 HG3 LYS 103 HG1 LYS 103 12.425 -6.222 6.057 736 HD2 LYS 103 HD2 LYS 103 9.984 -5.942 6.132 737 HD3 LYS 103 HD1 LYS 103 9.785 -7.650 5.735 738 HE2 LYS 103 HE2 LYS 103 10.974 -8.252 7.797 739 HE3 LYS 103 HE1 LYS 103 11.135 -6.542 8.193 740 HZ1 LYS 103 HZ1 LYS 103 8.712 -6.389 8.247 741 HZ2 LYS 103 HZ2 LYS 103 9.286 -7.512 9.371 742 HZ3 LYS 103 HZ3 LYS 103 8.588 -8.044 7.926 743 H LEU 104 HN LEU 104 13.223 -4.469 1.972 744 HA LEU 104 HA LEU 104 11.796 -5.457 -0.353 745 HB2 LEU 104 HB2 LEU 104 13.049 -2.754 0.127 746 HB3 LEU 104 HB1 LEU 104 11.957 -3.168 -1.183 747 HG LEU 104 HG LEU 104 11.287 -2.998 1.758 748 HD11 LEU 104 HD11 LEU 104 10.307 -1.426 -0.619 749 HD12 LEU 104 HD12 LEU 104 11.462 -0.862 0.589 750 HD13 LEU 104 HD13 LEU 104 9.799 -1.214 1.057 751 HD21 LEU 104 HD21 LEU 104 9.552 -3.880 -0.549 752 HD22 LEU 104 HD22 LEU 104 8.978 -3.523 1.080 753 HD23 LEU 104 HD23 LEU 104 10.082 -4.871 0.811 754 H ALA 105 HN ALA 105 14.842 -5.737 0.700 755 HA ALA 105 HA ALA 105 16.216 -5.212 -1.797 756 HB1 ALA 105 HB1 ALA 105 18.229 -5.910 -0.612 757 HB2 ALA 105 HB2 ALA 105 17.253 -6.429 0.762 758 HB3 ALA 105 HB3 ALA 105 17.331 -4.721 0.331 759 H ASP 106 HN ASP 106 14.159 -7.068 -2.045 760 HA ASP 106 HA ASP 106 15.712 -9.412 -2.866 761 HB2 ASP 106 HB2 ASP 106 14.519 -9.904 -0.710 762 HB3 ASP 106 HB1 ASP 106 12.996 -9.617 -1.544 763 H GLY 107 HN GLY 107 14.500 -6.994 -4.199 764 HA2 GLY 107 HA2 GLY 107 14.113 -7.671 -6.661 765 HA3 GLY 107 HA1 GLY 107 12.653 -8.392 -6.004 766 H ASP 108 HN ASP 108 11.502 -7.067 -7.475 767 HA ASP 108 HA ASP 108 11.319 -4.247 -6.698 768 HB2 ASP 108 HB2 ASP 108 10.613 -5.705 -9.228 769 HB3 ASP 108 HB1 ASP 108 9.865 -4.157 -8.853 770 H TYR 109 HN TYR 109 9.561 -3.495 -5.747 771 HA TYR 109 HA TYR 109 7.431 -5.433 -5.202 772 HB2 TYR 109 HB2 TYR 109 8.517 -3.137 -3.577 773 HB3 TYR 109 HB1 TYR 109 7.006 -3.948 -3.177 774 HD1 TYR 109 HD1 TYR 109 10.599 -4.650 -3.828 775 HD2 TYR 109 HD2 TYR 109 7.052 -5.835 -1.805 776 HE1 TYR 109 HE1 TYR 109 11.876 -6.333 -2.585 777 HE2 TYR 109 HE2 TYR 109 8.319 -7.525 -0.556 778 HH TYR 109 HH TYR 109 10.566 -8.859 -0.999 779 H LYS 110 HN LYS 110 5.276 -4.722 -5.074 780 HA LYS 110 HA LYS 110 4.720 -2.223 -6.537 781 HB2 LYS 110 HB2 LYS 110 3.248 -4.866 -6.588 782 HB3 LYS 110 HB1 LYS 110 2.562 -3.376 -7.224 783 HG2 LYS 110 HG2 LYS 110 4.224 -3.247 -8.925 784 HG3 LYS 110 HG1 LYS 110 5.156 -4.562 -8.198 785 HD2 LYS 110 HD2 LYS 110 3.384 -6.136 -8.685 786 HD3 LYS 110 HD1 LYS 110 2.349 -4.839 -9.277 787 HE2 LYS 110 HE2 LYS 110 5.008 -5.510 -10.514 788 HE3 LYS 110 HE1 LYS 110 3.494 -6.241 -11.041 789 HZ1 LYS 110 HZ1 LYS 110 4.094 -4.342 -12.403 790 HZ2 LYS 110 HZ2 LYS 110 4.100 -3.334 -11.047 791 HZ3 LYS 110 HZ3 LYS 110 2.654 -4.043 -11.567 792 H PHE 111 HN PHE 111 2.916 -1.004 -5.821 793 HA PHE 111 HA PHE 111 1.730 -1.918 -3.291 794 HB2 PHE 111 HB2 PHE 111 1.658 0.295 -2.410 795 HB3 PHE 111 HB1 PHE 111 3.301 0.041 -2.966 796 HD1 PHE 111 HD1 PHE 111 0.174 1.854 -3.523 797 HD2 PHE 111 HD2 PHE 111 4.186 1.296 -4.829 798 HE1 PHE 111 HE1 PHE 111 0.038 3.943 -4.816 799 HE2 PHE 111 HE2 PHE 111 4.054 3.381 -6.127 800 HZ PHE 111 HZ PHE 111 1.980 4.709 -6.117 801 H ALA 112 HN ALA 112 -0.463 -1.597 -3.061 802 HA ALA 112 HA ALA 112 -1.988 -0.269 -5.106 803 HB1 ALA 112 HB1 ALA 112 -1.341 -2.364 -6.244 804 HB2 ALA 112 HB2 ALA 112 -3.084 -2.229 -6.005 805 HB3 ALA 112 HB3 ALA 112 -2.128 -3.278 -4.958 806 H CYS 113 HN CYS 113 -4.337 -0.684 -4.809 807 HA CYS 113 HA CYS 113 -5.002 -0.961 -1.965 808 HB2 CYS 113 HB2 CYS 113 -5.723 1.089 -3.270 809 HB3 CYS 113 HB1 CYS 113 -6.747 0.037 -4.239 810 H THR 114 HN THR 114 -6.092 -2.751 -1.268 811 HA THR 114 HA THR 114 -6.659 -4.742 -3.351 812 HB THR 114 HB THR 114 -6.528 -6.427 -1.529 813 HG1 THR 114 HG1 THR 114 -6.322 -5.823 0.499 814 HG21 THR 114 HG21 THR 114 -4.081 -6.259 -1.200 815 HG22 THR 114 HG22 THR 114 -4.132 -4.612 -1.827 816 HG23 THR 114 HG23 THR 114 -4.559 -5.967 -2.872 817 H PHE 115 HN PHE 115 -8.392 -2.506 -1.984 818 HA PHE 115 HA PHE 115 -10.648 -3.803 -0.900 819 HB2 PHE 115 HB2 PHE 115 -10.141 -1.327 -0.809 820 HB3 PHE 115 HB1 PHE 115 -10.610 -1.225 -2.500 821 HD1 PHE 115 HD1 PHE 115 -11.779 -1.674 0.927 822 HD2 PHE 115 HD2 PHE 115 -12.941 -1.381 -3.156 823 HE1 PHE 115 HE1 PHE 115 -14.113 -1.331 1.620 824 HE2 PHE 115 HE2 PHE 115 -15.279 -1.040 -2.468 825 HZ PHE 115 HZ PHE 115 -15.867 -1.015 -0.078 826 HA PRO 116 HA PRO 116 -12.231 -6.072 -4.352 827 HB2 PRO 116 HB2 PRO 116 -14.912 -5.226 -3.384 828 HB3 PRO 116 HB1 PRO 116 -14.294 -6.848 -3.715 829 HG2 PRO 116 HG2 PRO 116 -14.581 -5.981 -1.214 830 HG3 PRO 116 HG1 PRO 116 -13.202 -6.995 -1.683 831 HD2 PRO 116 HD2 PRO 116 -13.304 -4.057 -1.149 832 HD3 PRO 116 HD1 PRO 116 -12.013 -5.228 -0.803 833 H GLY 117 HN GLY 117 -12.000 -5.225 -6.299 834 HA2 GLY 117 HA2 GLY 117 -12.972 -4.262 -8.243 835 HA3 GLY 117 HA1 GLY 117 -13.933 -3.210 -7.208 836 H HIS 118 HN HIS 118 -11.218 -2.927 -5.682 837 HA HIS 118 HA HIS 118 -10.478 -0.507 -7.130 838 HB2 HIS 118 HB2 HIS 118 -9.970 -1.513 -4.342 839 HB3 HIS 118 HB1 HIS 118 -9.054 -0.165 -4.998 840 HD2 HIS 118 HD2 HIS 118 -12.858 -0.408 -5.767 841 HE1 HIS 118 HE1 HIS 118 -12.197 2.738 -3.016 842 HE2 HIS 118 HE2 HIS 118 -13.945 1.472 -4.351 843 H GLY 119 HN GLY 119 -9.235 -3.650 -6.374 844 HA2 GLY 119 HA2 GLY 119 -6.479 -3.155 -6.597 845 HA3 GLY 119 HA1 GLY 119 -7.260 -4.713 -6.837 846 H ALA 120 HN ALA 120 -8.860 -3.182 -9.049 847 HA ALA 120 HA ALA 120 -7.003 -3.911 -11.148 848 HB1 ALA 120 HB1 ALA 120 -9.356 -4.600 -11.279 849 HB2 ALA 120 HB2 ALA 120 -8.881 -3.606 -12.655 850 HB3 ALA 120 HB3 ALA 120 -9.837 -2.905 -11.350 851 H LEU 121 HN LEU 121 -7.957 -1.062 -9.524 852 HA LEU 121 HA LEU 121 -7.180 0.602 -11.824 853 HB2 LEU 121 HB2 LEU 121 -8.885 1.326 -9.442 854 HB3 LEU 121 HB1 LEU 121 -8.478 2.401 -10.768 855 HG LEU 121 HG LEU 121 -10.120 -0.123 -11.012 856 HD11 LEU 121 HD11 LEU 121 -11.307 1.612 -9.795 857 HD12 LEU 121 HD12 LEU 121 -11.988 1.416 -11.411 858 HD13 LEU 121 HD13 LEU 121 -10.928 2.780 -11.060 859 HD21 LEU 121 HD21 LEU 121 -9.421 2.009 -13.026 860 HD22 LEU 121 HD22 LEU 121 -10.603 0.726 -13.277 861 HD23 LEU 121 HD23 LEU 121 -8.902 0.323 -13.051 862 H MET 122 HN MET 122 -6.957 0.492 -8.269 863 HA MET 122 HA MET 122 -4.940 2.583 -8.303 864 HB2 MET 122 HB2 MET 122 -6.411 1.106 -6.139 865 HB3 MET 122 HB1 MET 122 -4.985 2.064 -5.760 866 HG2 MET 122 HG2 MET 122 -6.102 3.977 -5.896 867 HG3 MET 122 HG1 MET 122 -6.896 3.509 -7.396 868 HE1 MET 122 HE1 MET 122 -10.116 1.816 -6.335 869 HE2 MET 122 HE2 MET 122 -8.615 1.018 -6.809 870 HE3 MET 122 HE3 MET 122 -9.127 2.491 -7.630 871 H ASN 123 HN ASN 123 -3.151 1.707 -9.251 872 HA ASN 123 HA ASN 123 -1.696 -0.248 -7.635 873 HB2 ASN 123 HB2 ASN 123 -2.101 -0.463 -10.631 874 HB3 ASN 123 HB1 ASN 123 -0.897 -1.378 -9.730 875 HD21 ASN 123 HD21 ASN 123 -4.269 -0.989 -10.427 876 HD22 ASN 123 HD22 ASN 123 -4.793 -2.472 -9.704 877 H GLY 124 HN GLY 124 0.513 0.015 -7.646 878 HA2 GLY 124 HA2 GLY 124 1.792 1.763 -9.571 879 HA3 GLY 124 HA1 GLY 124 1.727 2.408 -7.931 880 H LYS 125 HN LYS 125 4.189 2.175 -8.657 881 HA LYS 125 HA LYS 125 5.097 -0.471 -7.729 882 HB2 LYS 125 HB2 LYS 125 5.737 0.022 -10.067 883 HB3 LYS 125 HB1 LYS 125 6.575 1.468 -9.518 884 HG2 LYS 125 HG2 LYS 125 8.036 0.015 -8.123 885 HG3 LYS 125 HG1 LYS 125 7.263 -1.388 -8.857 886 HD2 LYS 125 HD2 LYS 125 8.038 -0.695 -11.052 887 HD3 LYS 125 HD1 LYS 125 8.752 0.763 -10.360 888 HE2 LYS 125 HE2 LYS 125 10.210 -0.672 -8.961 889 HE3 LYS 125 HE1 LYS 125 9.548 -2.087 -9.776 890 HZ1 LYS 125 HZ1 LYS 125 11.657 -1.425 -10.730 891 HZ2 LYS 125 HZ2 LYS 125 11.053 0.115 -11.084 892 HZ3 LYS 125 HZ3 LYS 125 10.418 -1.244 -11.866 893 H VAL 126 HN VAL 126 6.514 -0.585 -6.068 894 HA VAL 126 HA VAL 126 7.542 1.958 -5.013 895 HB VAL 126 HB VAL 126 5.987 1.189 -3.394 896 HG11 VAL 126 HG11 VAL 126 5.675 -1.086 -4.112 897 HG12 VAL 126 HG12 VAL 126 6.077 -1.062 -2.395 898 HG13 VAL 126 HG13 VAL 126 7.301 -1.511 -3.582 899 HG21 VAL 126 HG21 VAL 126 8.067 2.001 -2.453 900 HG22 VAL 126 HG22 VAL 126 8.756 0.379 -2.523 901 HG23 VAL 126 HG23 VAL 126 7.403 0.716 -1.443 902 H THR 127 HN THR 127 9.635 2.143 -5.233 903 HA THR 127 HA THR 127 11.160 -0.305 -5.844 904 HB THR 127 HB THR 127 11.816 2.512 -6.719 905 HG1 THR 127 HG1 THR 127 9.802 1.731 -7.605 906 HG21 THR 127 HG21 THR 127 13.702 0.942 -6.713 907 HG22 THR 127 HG22 THR 127 13.250 1.396 -8.356 908 HG23 THR 127 HG23 THR 127 12.773 -0.175 -7.713 909 H LEU 128 HN LEU 128 12.957 -0.761 -4.714 910 HA LEU 128 HA LEU 128 13.710 0.925 -2.492 911 HB2 LEU 128 HB2 LEU 128 13.699 -1.561 -2.340 912 HB3 LEU 128 HB1 LEU 128 14.988 -1.614 -3.529 913 HG LEU 128 HG LEU 128 16.415 -0.309 -1.922 914 HD11 LEU 128 HD11 LEU 128 14.134 -0.909 -0.049 915 HD12 LEU 128 HD12 LEU 128 14.709 0.683 -0.542 916 HD13 LEU 128 HD13 LEU 128 15.729 -0.356 0.449 917 HD21 LEU 128 HD21 LEU 128 15.375 -2.977 -0.995 918 HD22 LEU 128 HD22 LEU 128 16.900 -2.239 -0.506 919 HD23 LEU 128 HD23 LEU 128 16.648 -2.711 -2.186 920 H VAL 129 HN VAL 129 15.254 2.425 -2.542 921 HA VAL 129 HA VAL 129 17.142 2.390 -4.804 922 HB VAL 129 HB VAL 129 17.116 4.848 -4.830 923 HG11 VAL 129 HG11 VAL 129 14.395 3.593 -5.171 924 HG12 VAL 129 HG12 VAL 129 15.678 3.657 -6.379 925 HG13 VAL 129 HG13 VAL 129 14.893 5.145 -5.844 926 HG21 VAL 129 HG21 VAL 129 15.353 6.076 -3.631 927 HG22 VAL 129 HG22 VAL 129 16.468 5.274 -2.527 928 HG23 VAL 129 HG23 VAL 129 14.873 4.583 -2.825 929 H ASP 130 HN ASP 130 18.971 4.080 -4.277 930 HA ASP 130 HA ASP 130 20.305 3.056 -1.959 931 HB2 ASP 130 HB2 ASP 130 22.170 4.526 -2.679 932 HB3 ASP 130 HB1 ASP 130 21.572 3.505 -3.985
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