NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561471 | 2m6q | 5844 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 14.492 1.471 -6.219 2 H2 MET 1 2H MET 1 14.565 1.830 -4.569 3 H3 MET 1 3H MET 1 14.723 3.068 -5.710 4 HA MET 1 HA MET 1 12.558 3.087 -4.682 5 HB2 MET 1 2HB MET 1 12.570 2.332 -7.636 6 HB3 MET 1 1HB MET 1 11.191 3.049 -6.812 7 HG2 MET 1 2HG MET 1 12.566 5.051 -6.303 8 HG3 MET 1 1HG MET 1 13.905 4.330 -7.201 9 HE1 MET 1 3HE MET 1 12.605 7.274 -7.811 10 HE2 MET 1 1HE MET 1 12.621 7.235 -9.572 11 HE3 MET 1 2HE MET 1 14.002 6.616 -8.668 12 H LYS 2 H LYS 2 12.352 1.367 -3.173 13 HA LYS 2 HA LYS 2 10.258 -0.479 -3.777 14 HB2 LYS 2 2HB LYS 2 11.386 -2.599 -3.306 15 HB3 LYS 2 1HB LYS 2 12.154 -1.828 -4.689 16 HG2 LYS 2 2HG LYS 2 14.111 -1.287 -3.460 17 HG3 LYS 2 1HG LYS 2 13.310 -1.511 -1.906 18 HD2 LYS 2 2HD LYS 2 14.881 -3.359 -2.401 19 HD3 LYS 2 1HD LYS 2 13.220 -3.933 -2.244 20 HE2 LYS 2 2HE LYS 2 13.033 -3.987 -4.720 21 HE3 LYS 2 1HE LYS 2 14.718 -3.461 -4.836 22 HZ1 LYS 2 3HZ LYS 2 13.811 -5.961 -3.500 23 HZ2 LYS 2 1HZ LYS 2 15.414 -5.474 -3.724 24 HZ3 LYS 2 2HZ LYS 2 14.458 -5.884 -5.057 25 H ILE 3 H ILE 3 9.954 -2.037 -1.811 26 HA ILE 3 HA ILE 3 9.974 -0.662 0.702 27 HB ILE 3 HB ILE 3 9.475 -3.619 0.062 28 HG12 ILE 3 2HG1 ILE 3 7.499 -1.328 0.510 29 HG13 ILE 3 1HG1 ILE 3 7.819 -2.150 -1.010 30 HG21 ILE 3 1HG2 ILE 3 8.903 -2.129 2.657 31 HG22 ILE 3 2HG2 ILE 3 10.141 -3.361 2.414 32 HG23 ILE 3 3HG2 ILE 3 8.438 -3.795 2.303 33 HD11 ILE 3 3HD1 ILE 3 5.725 -2.876 -0.065 34 HD12 ILE 3 1HD1 ILE 3 6.524 -3.371 1.427 35 HD13 ILE 3 2HD1 ILE 3 6.870 -4.215 -0.085 36 H ILE 4 H ILE 4 11.856 -0.349 1.793 37 HA ILE 4 HA ILE 4 14.062 -2.253 1.711 38 HB ILE 4 HB ILE 4 13.675 0.377 3.205 39 HG12 ILE 4 2HG1 ILE 4 14.017 0.605 0.780 40 HG13 ILE 4 1HG1 ILE 4 15.422 1.209 1.645 41 HG21 ILE 4 1HG2 ILE 4 16.141 -1.403 3.247 42 HG22 ILE 4 2HG2 ILE 4 15.095 -1.026 4.616 43 HG23 ILE 4 3HG2 ILE 4 16.065 0.246 3.876 44 HD11 ILE 4 3HD1 ILE 4 16.628 -0.873 1.104 45 HD12 ILE 4 1HD1 ILE 4 16.073 -0.020 -0.336 46 HD13 ILE 4 2HD1 ILE 4 15.210 -1.451 0.224 47 H SER 5 H SER 5 11.647 -1.090 4.072 48 HA SER 5 HA SER 5 11.774 -3.610 5.513 49 HB2 SER 5 2HB SER 5 12.267 -2.488 7.725 50 HB3 SER 5 1HB SER 5 13.623 -2.458 6.601 51 HG SER 5 HG SER 5 11.813 -0.323 7.109 52 H ILE 6 H ILE 6 9.786 -4.138 6.229 53 HA ILE 6 HA ILE 6 7.592 -2.248 6.340 54 HB ILE 6 HB ILE 6 7.732 -5.130 7.375 55 HG12 ILE 6 2HG1 ILE 6 8.179 -4.955 4.895 56 HG13 ILE 6 1HG1 ILE 6 6.730 -5.873 5.277 57 HG21 ILE 6 1HG2 ILE 6 5.297 -3.389 6.810 58 HG22 ILE 6 2HG2 ILE 6 5.878 -3.895 8.397 59 HG23 ILE 6 3HG2 ILE 6 5.253 -5.096 7.269 60 HD11 ILE 6 3HD1 ILE 6 6.432 -4.440 3.340 61 HD12 ILE 6 1HD1 ILE 6 6.802 -3.017 4.311 62 HD13 ILE 6 2HD1 ILE 6 5.349 -3.964 4.647 63 H SER 7 H SER 7 7.690 -0.754 7.957 64 HA SER 7 HA SER 7 9.107 -1.219 10.439 65 HB2 SER 7 2HB SER 7 9.217 0.963 9.287 66 HB3 SER 7 1HB SER 7 7.478 1.176 9.487 67 HG SER 7 HG SER 7 9.500 1.164 11.462 68 H GLU 8 H GLU 8 8.069 -0.730 12.587 69 HA GLU 8 HA GLU 8 5.837 -2.481 12.978 70 HB2 GLU 8 2HB GLU 8 7.258 -0.675 14.979 71 HB3 GLU 8 1HB GLU 8 6.135 -1.960 15.386 72 HG2 GLU 8 2HG GLU 8 8.869 -2.281 14.128 73 HG3 GLU 8 1HG GLU 8 8.419 -2.677 15.783 74 H THR 9 H THR 9 3.977 -1.863 14.370 75 HA THR 9 HA THR 9 2.978 0.856 14.240 76 HB THR 9 HB THR 9 2.404 0.089 11.970 77 HG1 THR 9 HG1 THR 9 -0.031 0.168 12.309 78 HG21 THR 9 3HG2 THR 9 0.857 -1.805 11.581 79 HG22 THR 9 1HG2 THR 9 0.896 -2.192 13.303 80 HG23 THR 9 2HG2 THR 9 2.359 -2.352 12.329 81 HA PRO 10 HA PRO 10 0.718 -0.970 17.760 82 HB2 PRO 10 2HB PRO 10 -0.647 1.199 18.618 83 HB3 PRO 10 1HB PRO 10 1.127 1.139 18.742 84 HG2 PRO 10 2HG PRO 10 -0.574 2.529 16.689 85 HG3 PRO 10 1HG PRO 10 0.874 3.119 17.538 86 HD2 PRO 10 2HD PRO 10 0.909 2.045 14.975 87 HD3 PRO 10 1HD PRO 10 2.318 2.079 16.059 88 H ASN 11 H ASN 11 -0.664 0.182 14.855 89 HA ASN 11 HA ASN 11 -3.351 -0.913 15.474 90 HB2 ASN 11 2HB ASN 11 -3.216 1.609 15.002 91 HB3 ASN 11 1HB ASN 11 -2.680 1.208 13.376 92 HD21 ASN 11 1HD2 ASN 11 -5.008 2.721 14.061 93 HD22 ASN 11 2HD2 ASN 11 -6.387 1.854 13.481 94 H HIS 12 H HIS 12 -3.617 -2.811 14.492 95 HA HIS 12 HA HIS 12 -1.804 -3.919 12.606 96 HB2 HIS 12 2HB HIS 12 -3.034 -5.246 14.319 97 HB3 HIS 12 1HB HIS 12 -4.544 -4.932 13.477 98 HD1 HIS 12 HD1 HIS 12 -5.250 -7.008 12.328 99 HD2 HIS 12 HD2 HIS 12 -1.124 -6.539 12.176 100 HE1 HIS 12 HE1 HIS 12 -4.389 -8.983 11.051 101 HE2 HIS 12 HE2 HIS 12 -1.884 -8.738 11.061 102 H ASN 13 H ASN 13 -4.656 -2.012 12.206 103 HA ASN 13 HA ASN 13 -5.552 -2.906 9.662 104 HB2 ASN 13 2HB ASN 13 -6.953 -1.540 11.206 105 HB3 ASN 13 1HB ASN 13 -5.896 -0.159 10.941 106 HD21 ASN 13 1HD2 ASN 13 -8.360 -2.195 9.545 107 HD22 ASN 13 2HD2 ASN 13 -8.724 -1.176 8.196 108 H THR 14 H THR 14 -3.806 0.131 10.467 109 HA THR 14 HA THR 14 -2.652 0.124 7.740 110 HB THR 14 HB THR 14 -3.968 2.112 8.047 111 HG1 THR 14 HG1 THR 14 -2.399 3.056 7.019 112 HG21 THR 14 3HG2 THR 14 -3.549 3.770 9.828 113 HG22 THR 14 1HG2 THR 14 -2.331 2.716 10.553 114 HG23 THR 14 2HG2 THR 14 -4.024 2.221 10.528 115 H MET 15 H MET 15 -0.552 -0.209 7.513 116 HA MET 15 HA MET 15 1.239 0.128 9.853 117 HB2 MET 15 2HB MET 15 2.536 -1.797 9.146 118 HB3 MET 15 1HB MET 15 0.860 -2.270 9.370 119 HG2 MET 15 2HG MET 15 0.510 -2.326 6.963 120 HG3 MET 15 1HG MET 15 2.150 -1.723 6.687 121 HE1 MET 15 3HE MET 15 2.795 -3.701 5.094 122 HE2 MET 15 1HE MET 15 1.139 -4.295 5.230 123 HE3 MET 15 2HE MET 15 2.494 -5.396 5.472 124 H LYS 16 H LYS 16 3.228 0.962 9.501 125 HA LYS 16 HA LYS 16 3.528 2.607 7.109 126 HB2 LYS 16 2HB LYS 16 5.401 3.678 8.438 127 HB3 LYS 16 1HB LYS 16 3.796 3.816 9.147 128 HG2 LYS 16 2HG LYS 16 4.301 2.003 10.722 129 HG3 LYS 16 1HG LYS 16 5.899 1.803 10.002 130 HD2 LYS 16 2HD LYS 16 4.904 4.308 11.417 131 HD3 LYS 16 1HD LYS 16 5.967 3.091 12.126 132 HE2 LYS 16 2HE LYS 16 7.648 3.594 10.356 133 HE3 LYS 16 1HE LYS 16 6.595 4.876 9.754 134 HZ1 LYS 16 3HZ LYS 16 7.702 4.771 12.509 135 HZ2 LYS 16 1HZ LYS 16 6.815 6.032 11.820 136 HZ3 LYS 16 2HZ LYS 16 8.360 5.678 11.243 137 H ILE 17 H ILE 17 5.268 2.556 5.744 138 HA ILE 17 HA ILE 17 7.000 0.154 5.756 139 HB ILE 17 HB ILE 17 5.354 1.221 3.401 140 HG12 ILE 17 2HG1 ILE 17 5.184 -1.473 4.839 141 HG13 ILE 17 1HG1 ILE 17 4.055 -0.144 5.040 142 HG21 ILE 17 1HG2 ILE 17 7.364 -1.059 3.438 143 HG22 ILE 17 2HG2 ILE 17 7.559 0.494 2.623 144 HG23 ILE 17 3HG2 ILE 17 6.320 -0.634 2.077 145 HD11 ILE 17 3HD1 ILE 17 3.133 -1.857 3.606 146 HD12 ILE 17 1HD1 ILE 17 4.505 -1.721 2.505 147 HD13 ILE 17 2HD1 ILE 17 3.381 -0.372 2.691 148 H THR 18 H THR 18 9.007 0.902 5.811 149 HA THR 18 HA THR 18 9.894 3.473 4.937 150 HB THR 18 HB THR 18 11.514 0.977 5.612 151 HG1 THR 18 HG1 THR 18 10.828 3.186 7.279 152 HG21 THR 18 3HG2 THR 18 12.393 3.887 5.544 153 HG22 THR 18 1HG2 THR 18 12.884 2.635 4.397 154 HG23 THR 18 2HG2 THR 18 13.375 2.526 6.088 155 H LEU 19 H LEU 19 10.163 4.026 2.849 156 HA LEU 19 HA LEU 19 10.778 2.086 0.753 157 HB2 LEU 19 2HB LEU 19 10.358 5.098 0.689 158 HB3 LEU 19 1HB LEU 19 10.739 4.142 -0.736 159 HG LEU 19 HG LEU 19 8.208 3.942 0.941 160 HD11 LEU 19 1HD1 LEU 19 8.628 4.973 -1.881 161 HD12 LEU 19 2HD1 LEU 19 8.268 5.944 -0.451 162 HD13 LEU 19 3HD1 LEU 19 7.071 4.805 -1.061 163 HD21 LEU 19 3HD2 LEU 19 8.985 2.336 -1.525 164 HD22 LEU 19 1HD2 LEU 19 7.395 2.335 -0.754 165 HD23 LEU 19 2HD2 LEU 19 8.792 1.714 0.117 166 H SER 20 H SER 20 12.531 2.708 -0.830 167 HA SER 20 HA SER 20 15.083 2.999 0.462 168 HB2 SER 20 2HB SER 20 15.944 2.807 -1.911 169 HB3 SER 20 1HB SER 20 14.876 1.489 -1.427 170 HG SER 20 HG SER 20 14.104 3.780 -2.921 171 H GLU 21 H GLU 21 12.836 5.050 -1.177 172 HA GLU 21 HA GLU 21 14.659 7.270 -1.564 173 HB2 GLU 21 2HB GLU 21 11.625 7.253 -1.850 174 HB3 GLU 21 1HB GLU 21 12.755 8.413 -2.543 175 HG2 GLU 21 2HG GLU 21 12.333 5.523 -3.353 176 HG3 GLU 21 1HG GLU 21 11.995 6.968 -4.303 177 H SER 22 H SER 22 14.954 8.917 -0.113 178 HA SER 22 HA SER 22 13.120 9.439 2.074 179 HB2 SER 22 2HB SER 22 14.908 9.025 3.835 180 HB3 SER 22 1HB SER 22 14.311 7.563 3.054 181 HG SER 22 HG SER 22 16.174 7.697 1.669 182 H ARG 23 H ARG 23 13.999 11.135 3.539 183 HA ARG 23 HA ARG 23 14.600 13.223 3.965 184 HB2 ARG 23 2HB ARG 23 16.770 12.669 1.925 185 HB3 ARG 23 1HB ARG 23 16.616 14.252 2.681 186 HG2 ARG 23 2HG ARG 23 17.084 11.634 4.158 187 HG3 ARG 23 1HG ARG 23 18.316 12.847 3.794 188 HD2 ARG 23 2HD ARG 23 16.983 14.506 5.144 189 HD3 ARG 23 1HD ARG 23 15.900 13.190 5.612 190 HE ARG 23 HE ARG 23 18.502 12.394 6.237 191 HH11 ARG 23 1HH1 ARG 23 16.221 14.861 7.295 192 HH12 ARG 23 2HH1 ARG 23 16.875 14.937 8.900 193 HH21 ARG 23 1HH2 ARG 23 19.348 12.527 8.339 194 HH22 ARG 23 2HH2 ARG 23 18.641 13.620 9.490 195 H GLU 24 H GLU 24 14.442 15.395 3.280 196 HA GLU 24 HA GLU 24 13.524 17.167 2.295 197 HB2 GLU 24 2HB GLU 24 13.679 15.549 -0.287 198 HB3 GLU 24 1HB GLU 24 13.244 17.256 -0.204 199 HG2 GLU 24 2HG GLU 24 15.465 17.796 0.712 200 HG3 GLU 24 1HG GLU 24 15.900 16.087 0.685 201 H GLY 25 H GLY 25 11.873 14.672 0.346 202 HA2 GLY 25 2HA GLY 25 9.727 13.915 1.632 203 HA3 GLY 25 1HA GLY 25 9.268 15.590 1.367 204 H MET 26 H MET 26 9.098 12.526 0.129 205 HA MET 26 HA MET 26 8.700 13.078 -2.664 206 HB2 MET 26 2HB MET 26 7.668 10.732 -1.000 207 HB3 MET 26 1HB MET 26 7.760 10.791 -2.754 208 HG2 MET 26 2HG MET 26 10.199 10.783 -2.648 209 HG3 MET 26 1HG MET 26 10.141 10.823 -0.884 210 HE1 MET 26 3HE MET 26 9.814 8.616 -4.096 211 HE2 MET 26 1HE MET 26 8.115 8.742 -3.631 212 HE3 MET 26 2HE MET 26 8.954 7.197 -3.498 213 H THR 27 H THR 27 6.247 11.966 -3.289 214 HA THR 27 HA THR 27 4.360 13.996 -2.910 215 HB THR 27 HB THR 27 2.692 12.359 -3.834 216 HG1 THR 27 HG1 THR 27 4.319 10.344 -4.483 217 HG21 THR 27 3HG2 THR 27 4.136 13.614 -5.410 218 HG22 THR 27 1HG2 THR 27 3.798 11.992 -6.021 219 HG23 THR 27 2HG2 THR 27 5.365 12.353 -5.299 220 H SER 28 H SER 28 3.417 14.558 -1.041 221 HA SER 28 HA SER 28 2.858 12.588 1.075 222 HB2 SER 28 2HB SER 28 2.345 14.696 2.446 223 HB3 SER 28 1HB SER 28 4.017 14.505 1.927 224 HG SER 28 HG SER 28 2.171 16.011 0.399 225 H ASP 29 H ASP 29 1.114 11.536 0.160 226 HA ASP 29 HA ASP 29 -1.442 12.963 -0.111 227 HB2 ASP 29 2HB ASP 29 -0.010 11.512 -2.367 228 HB3 ASP 29 1HB ASP 29 -1.764 11.591 -2.347 229 H THR 30 H THR 30 -3.176 11.755 0.408 230 HA THR 30 HA THR 30 -2.869 8.947 1.174 231 HB THR 30 HB THR 30 -5.391 10.679 1.270 232 HG1 THR 30 HG1 THR 30 -3.523 11.447 2.549 233 HG21 THR 30 3HG2 THR 30 -4.666 8.120 2.768 234 HG22 THR 30 1HG2 THR 30 -5.827 8.231 1.439 235 HG23 THR 30 2HG2 THR 30 -6.155 9.041 2.970 236 H TYR 31 H TYR 31 -2.838 7.622 -0.577 237 HA TYR 31 HA TYR 31 -4.347 8.109 -2.978 238 HB2 TYR 31 2HB TYR 31 -2.885 5.529 -2.277 239 HB3 TYR 31 1HB TYR 31 -3.310 6.118 -3.880 240 HD1 TYR 31 HD1 TYR 31 -2.283 8.959 -3.714 241 HD2 TYR 31 HD2 TYR 31 -0.538 5.290 -2.393 242 HE1 TYR 31 HE1 TYR 31 -0.044 9.927 -3.969 243 HE2 TYR 31 HE2 TYR 31 1.697 6.258 -2.635 244 HH TYR 31 HH TYR 31 2.195 9.617 -3.177 245 H THR 32 H THR 32 -6.505 7.888 -2.770 246 HA THR 32 HA THR 32 -7.667 5.446 -1.649 247 HB THR 32 HB THR 32 -7.486 6.871 0.319 248 HG1 THR 32 HG1 THR 32 -9.648 5.739 -0.416 249 HG21 THR 32 3HG2 THR 32 -7.356 9.088 -0.739 250 HG22 THR 32 1HG2 THR 32 -8.621 9.059 0.492 251 HG23 THR 32 2HG2 THR 32 -9.052 8.978 -1.216 252 H LYS 33 H LYS 33 -8.022 8.398 -3.555 253 HA LYS 33 HA LYS 33 -10.864 7.895 -4.064 254 HB2 LYS 33 2HB LYS 33 -10.970 10.124 -4.995 255 HB3 LYS 33 1HB LYS 33 -10.016 10.210 -3.517 256 HG2 LYS 33 2HG LYS 33 -7.954 10.010 -5.062 257 HG3 LYS 33 1HG LYS 33 -9.061 10.371 -6.382 258 HD2 LYS 33 2HD LYS 33 -9.608 12.540 -5.369 259 HD3 LYS 33 1HD LYS 33 -8.621 12.154 -3.955 260 HE2 LYS 33 2HE LYS 33 -6.610 12.065 -5.400 261 HE3 LYS 33 1HE LYS 33 -7.604 12.507 -6.791 262 HZ1 LYS 33 3HZ LYS 33 -8.117 14.603 -5.711 263 HZ2 LYS 33 1HZ LYS 33 -6.442 14.411 -5.861 264 HZ3 LYS 33 2HZ LYS 33 -7.192 14.171 -4.365 265 H VAL 34 H VAL 34 -8.266 6.589 -5.278 266 HA VAL 34 HA VAL 34 -7.546 5.542 -7.113 267 HB VAL 34 HB VAL 34 -10.376 5.999 -8.145 268 HG11 VAL 34 1HG1 VAL 34 -8.255 4.106 -9.236 269 HG12 VAL 34 2HG1 VAL 34 -8.873 5.551 -10.037 270 HG13 VAL 34 3HG1 VAL 34 -9.940 4.174 -9.767 271 HG21 VAL 34 3HG2 VAL 34 -9.158 3.554 -6.797 272 HG22 VAL 34 1HG2 VAL 34 -10.799 3.657 -7.443 273 HG23 VAL 34 2HG2 VAL 34 -10.322 4.667 -6.079 274 H ASP 35 H ASP 35 -6.171 6.268 -8.557 275 HA ASP 35 HA ASP 35 -5.054 7.442 -10.103 276 HB2 ASP 35 2HB ASP 35 -7.142 7.310 -11.478 277 HB3 ASP 35 1HB ASP 35 -7.704 8.810 -10.751 278 H ASP 36 H ASP 36 -4.800 8.055 -7.588 279 HA ASP 36 HA ASP 36 -4.898 10.907 -7.026 280 HB2 ASP 36 2HB ASP 36 -3.492 8.676 -5.486 281 HB3 ASP 36 1HB ASP 36 -3.879 10.283 -4.881 282 H SER 37 H SER 37 -3.517 10.647 -9.339 283 HA SER 37 HA SER 37 -1.679 10.915 -10.565 284 HB2 SER 37 2HB SER 37 0.048 12.454 -9.792 285 HB3 SER 37 1HB SER 37 -1.524 13.022 -9.243 286 HG SER 37 HG SER 37 -0.307 11.408 -7.410 287 H GLN 38 H GLN 38 -1.855 8.413 -8.870 288 HA GLN 38 HA GLN 38 0.980 7.614 -8.856 289 HB2 GLN 38 2HB GLN 38 -0.179 5.544 -7.515 290 HB3 GLN 38 1HB GLN 38 0.420 6.975 -6.734 291 HG2 GLN 38 2HG GLN 38 -1.652 6.508 -5.738 292 HG3 GLN 38 1HG GLN 38 -1.909 7.907 -6.774 293 HE21 GLN 38 1HE2 GLN 38 -2.693 4.573 -6.221 294 HE22 GLN 38 2HE2 GLN 38 -3.934 4.465 -7.408 295 HA PRO 39 HA PRO 39 0.554 5.007 -12.462 296 HB2 PRO 39 2HB PRO 39 1.977 2.918 -10.799 297 HB3 PRO 39 1HB PRO 39 2.361 3.508 -12.433 298 HG2 PRO 39 2HG PRO 39 3.798 4.302 -10.342 299 HG3 PRO 39 1HG PRO 39 3.388 5.439 -11.646 300 HD2 PRO 39 2HD PRO 39 2.212 5.242 -8.888 301 HD3 PRO 39 1HD PRO 39 2.497 6.673 -9.895 302 H ALA 40 H ALA 40 -0.546 3.192 -13.278 303 HA ALA 40 HA ALA 40 -2.945 2.431 -12.117 304 HB1 ALA 40 3HB ALA 40 -2.476 2.284 -14.530 305 HB2 ALA 40 1HB ALA 40 -3.117 0.760 -13.912 306 HB3 ALA 40 2HB ALA 40 -1.390 0.924 -14.246 307 H PHE 41 H PHE 41 0.193 0.892 -11.860 308 HA PHE 41 HA PHE 41 -0.406 -1.583 -10.732 309 HB2 PHE 41 2HB PHE 41 1.949 0.265 -10.153 310 HB3 PHE 41 1HB PHE 41 1.889 -1.440 -9.727 311 HD1 PHE 41 HD2 PHE 41 2.143 0.962 -12.548 312 HD2 PHE 41 HD1 PHE 41 2.285 -3.163 -11.404 313 HE1 PHE 41 HE2 PHE 41 3.114 0.383 -14.732 314 HE2 PHE 41 HE1 PHE 41 3.257 -3.728 -13.591 315 HZ PHE 41 HZ PHE 41 3.674 -1.960 -15.256 316 H ILE 42 H ILE 42 0.057 1.574 -9.131 317 HA ILE 42 HA ILE 42 -0.405 0.658 -6.449 318 HB ILE 42 HB ILE 42 -0.571 3.517 -7.539 319 HG12 ILE 42 2HG1 ILE 42 1.646 2.450 -7.968 320 HG13 ILE 42 1HG1 ILE 42 1.768 3.789 -6.835 321 HG21 ILE 42 1HG2 ILE 42 -0.222 2.544 -4.670 322 HG22 ILE 42 2HG2 ILE 42 -1.647 3.342 -5.338 323 HG23 ILE 42 3HG2 ILE 42 -0.131 4.230 -5.194 324 HD11 ILE 42 3HD1 ILE 42 3.181 1.925 -6.173 325 HD12 ILE 42 1HD1 ILE 42 1.788 0.848 -6.120 326 HD13 ILE 42 2HD1 ILE 42 1.919 2.183 -4.971 327 H ASN 43 H ASN 43 -2.438 1.757 -9.105 328 HA ASN 43 HA ASN 43 -4.812 2.299 -7.558 329 HB2 ASN 43 2HB ASN 43 -4.279 1.914 -10.527 330 HB3 ASN 43 1HB ASN 43 -5.916 2.099 -9.917 331 HD21 ASN 43 1HD2 ASN 43 -2.818 3.687 -10.265 332 HD22 ASN 43 2HD2 ASN 43 -3.374 5.293 -9.976 333 H ASP 44 H ASP 44 -3.397 -0.465 -9.153 334 HA ASP 44 HA ASP 44 -5.582 -2.243 -9.088 335 HB2 ASP 44 2HB ASP 44 -3.584 -2.675 -10.469 336 HB3 ASP 44 1HB ASP 44 -2.589 -2.831 -9.025 337 H ILE 45 H ILE 45 -2.959 -1.531 -6.791 338 HA ILE 45 HA ILE 45 -3.563 -3.402 -4.785 339 HB ILE 45 HB ILE 45 -2.430 -0.609 -4.267 340 HG12 ILE 45 2HG1 ILE 45 -0.853 -3.147 -4.935 341 HG13 ILE 45 1HG1 ILE 45 -1.107 -1.798 -6.040 342 HG21 ILE 45 1HG2 ILE 45 -1.369 -1.668 -2.286 343 HG22 ILE 45 2HG2 ILE 45 -2.140 -3.204 -2.689 344 HG23 ILE 45 3HG2 ILE 45 -3.127 -1.816 -2.230 345 HD11 ILE 45 3HD1 ILE 45 1.096 -1.718 -5.026 346 HD12 ILE 45 1HD1 ILE 45 0.382 -1.659 -3.416 347 HD13 ILE 45 2HD1 ILE 45 0.134 -0.323 -4.545 348 H LEU 46 H LEU 46 -4.708 -0.036 -5.264 349 HA LEU 46 HA LEU 46 -6.410 0.198 -3.035 350 HB2 LEU 46 2HB LEU 46 -6.743 1.470 -5.789 351 HB3 LEU 46 1HB LEU 46 -7.607 1.974 -4.343 352 HG LEU 46 HG LEU 46 -4.609 2.204 -4.810 353 HD11 LEU 46 1HD1 LEU 46 -6.725 4.373 -4.649 354 HD12 LEU 46 2HD1 LEU 46 -5.889 3.835 -6.108 355 HD13 LEU 46 3HD1 LEU 46 -4.984 4.627 -4.821 356 HD21 LEU 46 3HD2 LEU 46 -6.230 3.047 -2.385 357 HD22 LEU 46 1HD2 LEU 46 -4.527 3.421 -2.668 358 HD23 LEU 46 2HD2 LEU 46 -5.034 1.749 -2.451 359 H LYS 47 H LYS 47 -6.956 -1.284 -6.191 360 HA LYS 47 HA LYS 47 -9.788 -1.752 -5.821 361 HB2 LYS 47 2HB LYS 47 -7.860 -2.826 -7.912 362 HB3 LYS 47 1HB LYS 47 -9.613 -3.012 -7.963 363 HG2 LYS 47 2HG LYS 47 -9.900 -0.598 -8.193 364 HG3 LYS 47 1HG LYS 47 -8.159 -0.348 -8.028 365 HD2 LYS 47 2HD LYS 47 -7.817 -1.702 -10.117 366 HD3 LYS 47 1HD LYS 47 -9.572 -1.806 -10.294 367 HE2 LYS 47 2HE LYS 47 -9.670 0.670 -10.437 368 HE3 LYS 47 1HE LYS 47 -7.909 0.730 -10.332 369 HZ1 LYS 47 3HZ LYS 47 -7.773 -0.522 -12.384 370 HZ2 LYS 47 1HZ LYS 47 -8.695 0.879 -12.617 371 HZ3 LYS 47 2HZ LYS 47 -9.460 -0.624 -12.477 372 H VAL 48 H VAL 48 -6.875 -3.461 -4.962 373 HA VAL 48 HA VAL 48 -7.807 -6.125 -4.929 374 HB VAL 48 HB VAL 48 -5.676 -4.788 -3.191 375 HG11 VAL 48 1HG1 VAL 48 -4.921 -7.065 -2.521 376 HG12 VAL 48 2HG1 VAL 48 -6.338 -7.762 -3.311 377 HG13 VAL 48 3HG1 VAL 48 -6.538 -6.704 -1.914 378 HG21 VAL 48 3HG2 VAL 48 -4.083 -6.027 -4.633 379 HG22 VAL 48 1HG2 VAL 48 -5.108 -4.950 -5.579 380 HG23 VAL 48 2HG2 VAL 48 -5.431 -6.682 -5.566 381 H GLU 49 H GLU 49 -9.372 -7.003 -3.796 382 HA GLU 49 HA GLU 49 -10.893 -5.750 -1.779 383 HB2 GLU 49 2HB GLU 49 -10.742 -8.696 -2.556 384 HB3 GLU 49 1HB GLU 49 -12.003 -7.983 -1.549 385 HG2 GLU 49 2HG GLU 49 -12.790 -6.620 -3.407 386 HG3 GLU 49 1HG GLU 49 -11.446 -7.148 -4.415 387 H GLY 50 H GLY 50 -9.567 -5.090 -0.149 388 HA2 GLY 50 2HA GLY 50 -9.104 -6.433 2.131 389 HA3 GLY 50 1HA GLY 50 -7.672 -6.820 1.182 390 H VAL 51 H VAL 51 -7.666 -4.216 -0.191 391 HA VAL 51 HA VAL 51 -6.314 -2.638 1.889 392 HB VAL 51 HB VAL 51 -6.446 -2.180 -1.132 393 HG11 VAL 51 1HG1 VAL 51 -5.909 -0.107 0.063 394 HG12 VAL 51 2HG1 VAL 51 -4.502 -0.683 -0.830 395 HG13 VAL 51 3HG1 VAL 51 -4.592 -0.913 0.920 396 HG21 VAL 51 3HG2 VAL 51 -4.229 -3.490 0.485 397 HG22 VAL 51 1HG2 VAL 51 -4.190 -3.152 -1.248 398 HG23 VAL 51 2HG2 VAL 51 -5.344 -4.317 -0.604 399 H LYS 52 H LYS 52 -7.197 -0.842 2.748 400 HA LYS 52 HA LYS 52 -9.748 0.223 1.809 401 HB2 LYS 52 2HB LYS 52 -9.283 -0.085 4.259 402 HB3 LYS 52 1HB LYS 52 -8.004 1.120 4.147 403 HG2 LYS 52 2HG LYS 52 -9.698 2.820 3.498 404 HG3 LYS 52 1HG LYS 52 -10.964 1.600 3.667 405 HD2 LYS 52 2HD LYS 52 -10.304 1.344 6.085 406 HD3 LYS 52 1HD LYS 52 -9.166 2.678 5.875 407 HE2 LYS 52 2HE LYS 52 -12.182 2.830 5.536 408 HE3 LYS 52 1HE LYS 52 -11.260 3.453 6.903 409 HZ1 LYS 52 3HZ LYS 52 -10.220 5.057 5.492 410 HZ2 LYS 52 1HZ LYS 52 -11.890 5.165 5.261 411 HZ3 LYS 52 2HZ LYS 52 -10.926 4.399 4.103 412 H SER 53 H SER 53 -6.443 1.405 2.416 413 HA SER 53 HA SER 53 -6.375 3.081 0.091 414 HB2 SER 53 2HB SER 53 -6.059 5.250 1.355 415 HB3 SER 53 1HB SER 53 -7.694 4.601 1.489 416 HG SER 53 HG SER 53 -5.654 4.191 3.419 417 H ILE 54 H ILE 54 -4.313 4.458 0.153 418 HA ILE 54 HA ILE 54 -2.091 3.197 1.644 419 HB ILE 54 HB ILE 54 -2.041 4.008 -1.310 420 HG12 ILE 54 2HG1 ILE 54 -1.829 1.186 -0.151 421 HG13 ILE 54 1HG1 ILE 54 -3.263 1.852 -0.928 422 HG21 ILE 54 1HG2 ILE 54 0.256 3.098 -1.371 423 HG22 ILE 54 2HG2 ILE 54 0.170 2.761 0.360 424 HG23 ILE 54 3HG2 ILE 54 0.115 4.426 -0.217 425 HD11 ILE 54 3HD1 ILE 54 -1.979 2.108 -3.018 426 HD12 ILE 54 1HD1 ILE 54 -2.078 0.442 -2.461 427 HD13 ILE 54 2HD1 ILE 54 -0.589 1.353 -2.232 428 H PHE 55 H PHE 55 -1.786 4.978 3.061 429 HA PHE 55 HA PHE 55 -1.680 7.696 2.012 430 HB2 PHE 55 2HB PHE 55 -2.527 7.313 4.294 431 HB3 PHE 55 1HB PHE 55 -0.996 6.586 4.766 432 HD1 PHE 55 HD1 PHE 55 -1.895 9.774 2.962 433 HD2 PHE 55 HD2 PHE 55 0.112 7.999 6.298 434 HE1 PHE 55 HE1 PHE 55 -1.114 11.993 3.669 435 HE2 PHE 55 HE2 PHE 55 0.889 10.226 6.998 436 HZ PHE 55 HZ PHE 55 0.282 12.222 5.687 437 H HIS 56 H HIS 56 0.236 8.930 1.689 438 HA HIS 56 HA HIS 56 2.833 7.596 2.218 439 HB2 HIS 56 2HB HIS 56 2.191 7.351 -0.217 440 HB3 HIS 56 1HB HIS 56 2.150 9.102 -0.354 441 HD1 HIS 56 HD1 HIS 56 3.998 8.995 -2.176 442 HD2 HIS 56 HD2 HIS 56 5.200 7.536 1.535 443 HE1 HIS 56 HE1 HIS 56 6.485 8.718 -2.325 444 HE2 HIS 56 HE2 HIS 56 7.207 7.915 -0.048 445 H VAL 57 H VAL 57 4.322 8.924 3.110 446 HA VAL 57 HA VAL 57 4.068 11.832 3.014 447 HB VAL 57 HB VAL 57 2.688 11.405 4.941 448 HG11 VAL 57 1HG1 VAL 57 3.376 10.067 6.873 449 HG12 VAL 57 2HG1 VAL 57 4.854 9.605 6.026 450 HG13 VAL 57 3HG1 VAL 57 3.283 9.104 5.396 451 HG21 VAL 57 3HG2 VAL 57 4.247 13.290 5.209 452 HG22 VAL 57 1HG2 VAL 57 5.441 12.218 5.947 453 HG23 VAL 57 2HG2 VAL 57 3.906 12.529 6.763 454 H MET 58 H MET 58 5.976 12.658 2.709 455 HA MET 58 HA MET 58 8.152 13.039 2.480 456 HB2 MET 58 2HB MET 58 7.961 13.373 4.922 457 HB3 MET 58 1HB MET 58 8.403 11.694 5.196 458 HG2 MET 58 2HG MET 58 10.626 12.076 4.292 459 HG3 MET 58 1HG MET 58 10.191 13.719 3.818 460 HE1 MET 58 3HE MET 58 9.730 15.436 7.338 461 HE2 MET 58 1HE MET 58 8.467 14.634 6.406 462 HE3 MET 58 2HE MET 58 9.645 15.666 5.592 463 H ASP 59 H ASP 59 8.715 9.957 4.206 464 HA ASP 59 HA ASP 59 9.962 8.868 1.746 465 HB2 ASP 59 2HB ASP 59 11.609 7.726 3.151 466 HB3 ASP 59 1HB ASP 59 11.652 9.453 3.469 467 H PHE 60 H PHE 60 7.990 8.234 4.603 468 HA PHE 60 HA PHE 60 7.897 5.360 3.975 469 HB2 PHE 60 2HB PHE 60 7.159 4.984 6.268 470 HB3 PHE 60 1HB PHE 60 8.627 5.948 6.266 471 HD1 PHE 60 HD2 PHE 60 8.349 8.537 6.547 472 HD2 PHE 60 HD1 PHE 60 5.276 5.722 7.541 473 HE1 PHE 60 HE2 PHE 60 7.274 10.210 7.987 474 HE2 PHE 60 HE1 PHE 60 4.208 7.408 8.980 475 HZ PHE 60 HZ PHE 60 5.193 9.660 9.187 476 H ILE 61 H ILE 61 6.119 4.344 3.479 477 HA ILE 61 HA ILE 61 3.626 5.725 2.889 478 HB ILE 61 HB ILE 61 4.489 2.803 2.530 479 HG12 ILE 61 2HG1 ILE 61 4.385 5.102 0.517 480 HG13 ILE 61 1HG1 ILE 61 5.832 4.309 1.131 481 HG21 ILE 61 1HG2 ILE 61 2.565 2.533 1.019 482 HG22 ILE 61 2HG2 ILE 61 2.045 4.184 1.369 483 HG23 ILE 61 3HG2 ILE 61 2.040 2.968 2.645 484 HD11 ILE 61 3HD1 ILE 61 3.727 3.076 -0.641 485 HD12 ILE 61 1HD1 ILE 61 5.128 2.227 0.021 486 HD13 ILE 61 2HD1 ILE 61 5.357 3.567 -1.100 487 H SER 62 H SER 62 1.561 4.791 3.779 488 HA SER 62 HA SER 62 1.669 3.083 6.137 489 HB2 SER 62 2HB SER 62 0.175 5.755 6.104 490 HB3 SER 62 1HB SER 62 0.133 4.568 7.407 491 HG SER 62 HG SER 62 2.671 5.085 6.987 492 H VAL 63 H VAL 63 0.824 1.483 4.745 493 HA VAL 63 HA VAL 63 -1.528 1.981 3.105 494 HB VAL 63 HB VAL 63 -0.205 -0.724 3.670 495 HG11 VAL 63 1HG1 VAL 63 -2.091 0.122 1.428 496 HG12 VAL 63 2HG1 VAL 63 -2.491 -0.933 2.783 497 HG13 VAL 63 3HG1 VAL 63 -1.318 -1.462 1.578 498 HG21 VAL 63 3HG2 VAL 63 0.992 -0.445 1.533 499 HG22 VAL 63 1HG2 VAL 63 1.428 0.823 2.679 500 HG23 VAL 63 2HG2 VAL 63 0.317 1.178 1.355 501 H ASP 64 H ASP 64 -3.463 2.074 4.021 502 HA ASP 64 HA ASP 64 -4.175 0.678 6.480 503 HB2 ASP 64 2HB ASP 64 -6.094 2.295 4.769 504 HB3 ASP 64 1HB ASP 64 -6.185 1.986 6.486 505 H LYS 65 H LYS 65 -5.253 -1.258 6.488 506 HA LYS 65 HA LYS 65 -6.404 -2.314 3.971 507 HB2 LYS 65 2HB LYS 65 -6.249 -4.524 4.930 508 HB3 LYS 65 1HB LYS 65 -4.707 -3.729 5.230 509 HG2 LYS 65 2HG LYS 65 -5.361 -3.291 7.553 510 HG3 LYS 65 1HG LYS 65 -6.941 -4.014 7.265 511 HD2 LYS 65 2HD LYS 65 -5.815 -6.193 6.780 512 HD3 LYS 65 1HD LYS 65 -4.261 -5.447 7.172 513 HE2 LYS 65 2HE LYS 65 -5.085 -6.701 9.100 514 HE3 LYS 65 1HE LYS 65 -5.098 -4.975 9.469 515 HZ1 LYS 65 3HZ LYS 65 -7.491 -4.963 8.921 516 HZ2 LYS 65 1HZ LYS 65 -7.129 -5.980 10.224 517 HZ3 LYS 65 2HZ LYS 65 -7.438 -6.636 8.699 518 H GLU 66 H GLU 66 -8.359 -3.941 4.715 519 HA GLU 66 HA GLU 66 -10.393 -2.329 6.075 520 HB2 GLU 66 2HB GLU 66 -10.639 -5.089 4.795 521 HB3 GLU 66 1HB GLU 66 -11.968 -4.040 5.291 522 HG2 GLU 66 2HG GLU 66 -11.339 -2.404 3.562 523 HG3 GLU 66 1HG GLU 66 -9.972 -3.410 3.088 524 H ASN 67 H ASN 67 -11.794 -3.512 7.730 525 HA ASN 67 HA ASN 67 -10.171 -4.039 9.956 526 HB2 ASN 67 2HB ASN 67 -12.266 -4.480 11.202 527 HB3 ASN 67 1HB ASN 67 -12.376 -3.027 10.222 528 HD21 ASN 67 1HD2 ASN 67 -14.494 -4.742 11.319 529 HD22 ASN 67 2HD2 ASN 67 -15.455 -5.230 9.968 530 H ASP 68 H ASP 68 -12.125 -6.350 8.027 531 HA ASP 68 HA ASP 68 -11.334 -8.643 9.627 532 HB2 ASP 68 2HB ASP 68 -13.579 -8.546 8.631 533 HB3 ASP 68 1HB ASP 68 -12.895 -8.457 7.013 534 H ALA 69 H ALA 69 -10.388 -7.162 6.604 535 HA ALA 69 HA ALA 69 -9.161 -9.162 5.174 536 HB1 ALA 69 3HB ALA 69 -9.544 -6.881 4.338 537 HB2 ALA 69 1HB ALA 69 -7.875 -7.382 4.063 538 HB3 ALA 69 2HB ALA 69 -8.260 -6.265 5.379 539 H ASN 70 H ASN 70 -7.130 -10.098 5.084 540 HA ASN 70 HA ASN 70 -5.345 -9.763 7.426 541 HB2 ASN 70 2HB ASN 70 -5.882 -12.168 5.631 542 HB3 ASN 70 1HB ASN 70 -4.572 -12.125 6.810 543 HD21 ASN 70 1HD2 ASN 70 -5.069 -12.238 9.001 544 HD22 ASN 70 2HD2 ASN 70 -6.631 -12.705 9.579 545 H TRP 71 H TRP 71 -3.325 -8.995 7.043 546 HA TRP 71 HA TRP 71 -2.249 -8.331 4.536 547 HB2 TRP 71 2HB TRP 71 -0.855 -8.809 7.192 548 HB3 TRP 71 1HB TRP 71 -0.029 -8.183 5.773 549 HD1 TRP 71 HD1 TRP 71 -1.721 -6.992 8.805 550 HE1 TRP 71 HE1 TRP 71 -2.203 -4.475 8.640 551 HE3 TRP 71 HE3 TRP 71 -0.989 -6.325 3.781 552 HZ2 TRP 71 HZ2 TRP 71 -2.273 -2.479 6.677 553 HZ3 TRP 71 HZ3 TRP 71 -1.292 -4.070 2.842 554 HH2 TRP 71 HH2 TRP 71 -1.925 -2.186 4.266 555 H GLU 72 H GLU 72 -2.379 -11.391 6.123 556 HA GLU 72 HA GLU 72 -0.279 -12.811 4.962 557 HB2 GLU 72 2HB GLU 72 -3.076 -13.741 5.748 558 HB3 GLU 72 1HB GLU 72 -1.835 -14.849 5.184 559 HG2 GLU 72 2HG GLU 72 -1.926 -14.944 7.588 560 HG3 GLU 72 1HG GLU 72 -0.399 -14.213 7.105 561 H THR 73 H THR 73 -3.441 -11.916 3.600 562 HA THR 73 HA THR 73 -2.650 -13.016 0.978 563 HB THR 73 HB THR 73 -4.890 -13.711 1.646 564 HG1 THR 73 HG1 THR 73 -6.031 -12.761 -0.234 565 HG21 THR 73 3HG2 THR 73 -6.777 -12.130 1.844 566 HG22 THR 73 1HG2 THR 73 -5.659 -10.770 1.706 567 HG23 THR 73 2HG2 THR 73 -5.576 -11.842 3.106 568 H VAL 74 H VAL 74 -3.487 -9.962 2.583 569 HA VAL 74 HA VAL 74 -3.787 -8.394 0.226 570 HB VAL 74 HB VAL 74 -3.494 -7.578 3.148 571 HG11 VAL 74 1HG1 VAL 74 -4.328 -5.831 0.808 572 HG12 VAL 74 2HG1 VAL 74 -2.852 -5.674 1.760 573 HG13 VAL 74 3HG1 VAL 74 -4.417 -5.368 2.512 574 HG21 VAL 74 3HG2 VAL 74 -5.977 -7.801 1.400 575 HG22 VAL 74 1HG2 VAL 74 -5.946 -7.265 3.084 576 HG23 VAL 74 2HG2 VAL 74 -5.503 -8.923 2.676 577 H LEU 75 H LEU 75 -1.077 -8.658 2.598 578 HA LEU 75 HA LEU 75 0.437 -6.503 1.596 579 HB2 LEU 75 2HB LEU 75 0.899 -7.295 3.817 580 HB3 LEU 75 1HB LEU 75 1.302 -8.897 3.237 581 HG LEU 75 HG LEU 75 3.386 -8.068 2.235 582 HD11 LEU 75 1HD1 LEU 75 4.183 -5.753 2.574 583 HD12 LEU 75 2HD1 LEU 75 2.601 -5.314 3.221 584 HD13 LEU 75 3HD1 LEU 75 2.754 -5.837 1.546 585 HD21 LEU 75 3HD2 LEU 75 4.634 -7.522 4.275 586 HD22 LEU 75 1HD2 LEU 75 3.462 -8.803 4.579 587 HD23 LEU 75 2HD2 LEU 75 3.130 -7.157 5.123 588 HA PRO 76 HA PRO 76 2.816 -9.978 -1.239 589 HB2 PRO 76 2HB PRO 76 0.144 -11.292 -1.823 590 HB3 PRO 76 1HB PRO 76 1.784 -11.971 -1.954 591 HG2 PRO 76 2HG PRO 76 0.284 -12.566 0.149 592 HG3 PRO 76 1HG PRO 76 2.019 -12.228 0.355 593 HD2 PRO 76 2HD PRO 76 -0.328 -10.512 1.062 594 HD3 PRO 76 1HD PRO 76 1.269 -10.613 1.831 595 H LYS 77 H LYS 77 -0.468 -8.632 -1.633 596 HA LYS 77 HA LYS 77 -0.197 -8.072 -4.450 597 HB2 LYS 77 2HB LYS 77 -2.269 -7.365 -2.351 598 HB3 LYS 77 1HB LYS 77 -2.321 -6.585 -3.925 599 HG2 LYS 77 2HG LYS 77 -3.855 -8.462 -3.875 600 HG3 LYS 77 1HG LYS 77 -2.555 -8.770 -5.023 601 HD2 LYS 77 2HD LYS 77 -1.438 -10.212 -3.320 602 HD3 LYS 77 1HD LYS 77 -2.800 -9.937 -2.231 603 HE2 LYS 77 2HE LYS 77 -3.023 -12.096 -3.361 604 HE3 LYS 77 1HE LYS 77 -4.312 -11.006 -3.874 605 HZ1 LYS 77 3HZ LYS 77 -3.369 -12.202 -5.743 606 HZ2 LYS 77 1HZ LYS 77 -1.831 -11.594 -5.399 607 HZ3 LYS 77 2HZ LYS 77 -3.059 -10.547 -5.900 608 H VAL 78 H VAL 78 0.112 -6.176 -1.463 609 HA VAL 78 HA VAL 78 0.455 -3.610 -2.649 610 HB VAL 78 HB VAL 78 1.562 -4.572 0.043 611 HG11 VAL 78 1HG1 VAL 78 1.464 -2.199 0.726 612 HG12 VAL 78 2HG1 VAL 78 0.908 -1.749 -0.888 613 HG13 VAL 78 3HG1 VAL 78 2.522 -2.426 -0.668 614 HG21 VAL 78 3HG2 VAL 78 -1.174 -3.348 -0.508 615 HG22 VAL 78 1HG2 VAL 78 -0.514 -3.722 1.088 616 HG23 VAL 78 2HG2 VAL 78 -0.856 -5.023 -0.053 617 H GLU 79 H GLU 79 2.766 -5.884 -1.240 618 HA GLU 79 HA GLU 79 5.171 -4.602 -1.772 619 HB2 GLU 79 2HB GLU 79 4.819 -6.386 -0.087 620 HB3 GLU 79 1HB GLU 79 4.598 -7.566 -1.375 621 HG2 GLU 79 2HG GLU 79 6.946 -7.187 -2.092 622 HG3 GLU 79 1HG GLU 79 7.153 -6.039 -0.769 623 H ALA 80 H ALA 80 3.233 -6.715 -3.793 624 HA ALA 80 HA ALA 80 5.043 -7.756 -5.612 625 HB1 ALA 80 3HB ALA 80 2.186 -6.887 -6.189 626 HB2 ALA 80 1HB ALA 80 2.681 -8.438 -5.511 627 HB3 ALA 80 2HB ALA 80 3.144 -8.015 -7.157 628 H VAL 81 H VAL 81 3.663 -4.503 -5.520 629 HA VAL 81 HA VAL 81 4.432 -3.761 -8.208 630 HB VAL 81 HB VAL 81 3.469 -2.088 -5.840 631 HG11 VAL 81 1HG1 VAL 81 4.770 -0.633 -7.311 632 HG12 VAL 81 2HG1 VAL 81 3.055 -0.261 -7.482 633 HG13 VAL 81 3HG1 VAL 81 3.881 -1.205 -8.725 634 HG21 VAL 81 3HG2 VAL 81 2.005 -3.067 -8.329 635 HG22 VAL 81 1HG2 VAL 81 1.316 -2.036 -7.071 636 HG23 VAL 81 2HG2 VAL 81 1.801 -3.687 -6.689 637 H PHE 82 H PHE 82 5.615 -2.920 -4.946 638 HA PHE 82 HA PHE 82 7.896 -1.428 -5.800 639 HB2 PHE 82 2HB PHE 82 7.535 -2.833 -3.116 640 HB3 PHE 82 1HB PHE 82 8.517 -1.405 -3.452 641 HD1 PHE 82 HD2 PHE 82 7.302 0.754 -4.180 642 HD2 PHE 82 HD1 PHE 82 5.248 -2.601 -2.494 643 HE1 PHE 82 HE2 PHE 82 5.345 2.166 -3.714 644 HE2 PHE 82 HE1 PHE 82 3.301 -1.183 -2.042 645 HZ PHE 82 HZ PHE 82 3.348 1.186 -2.659 646 H GLU 83 H GLU 83 7.302 -4.808 -5.446 647 HA GLU 83 HA GLU 83 10.159 -5.472 -5.836 648 HB2 GLU 83 2HB GLU 83 9.217 -6.036 -3.517 649 HB3 GLU 83 1HB GLU 83 8.147 -7.181 -4.308 650 HG2 GLU 83 2HG GLU 83 10.025 -8.384 -3.415 651 HG3 GLU 83 1HG GLU 83 10.150 -8.407 -5.174 652 H LEU 84 H LEU 84 9.491 -5.227 -8.104 653 HA LEU 84 HA LEU 84 8.978 -7.877 -9.172 654 HB2 LEU 84 2HB LEU 84 7.552 -6.998 -11.031 655 HB3 LEU 84 1HB LEU 84 6.790 -6.910 -9.460 656 HG LEU 84 HG LEU 84 7.432 -4.384 -9.477 657 HD11 LEU 84 1HD1 LEU 84 7.761 -4.905 -12.445 658 HD12 LEU 84 2HD1 LEU 84 9.012 -4.361 -11.326 659 HD13 LEU 84 3HD1 LEU 84 7.641 -3.315 -11.681 660 HD21 LEU 84 3HD2 LEU 84 5.401 -3.775 -10.723 661 HD22 LEU 84 1HD2 LEU 84 5.124 -5.183 -9.701 662 HD23 LEU 84 2HD2 LEU 84 5.341 -5.387 -11.441 663 H GLU 85 H GLU 85 9.674 -7.942 -11.488 664 HA GLU 85 HA GLU 85 12.298 -6.891 -11.815 665 HB2 GLU 85 2HB GLU 85 11.625 -9.055 -12.788 666 HB3 GLU 85 1HB GLU 85 10.462 -8.255 -13.832 667 HG2 GLU 85 2HG GLU 85 12.447 -8.883 -15.094 668 HG3 GLU 85 1HG GLU 85 12.293 -7.129 -15.039 669 H HIS 86 H HIS 86 12.402 -4.711 -11.883 670 HA HIS 86 HA HIS 86 10.513 -3.079 -13.367 671 HB2 HIS 86 2HB HIS 86 12.899 -2.411 -11.601 672 HB3 HIS 86 1HB HIS 86 12.040 -1.171 -12.509 673 HD1 HIS 86 HD1 HIS 86 11.635 -3.482 -9.555 674 HD2 HIS 86 HD2 HIS 86 9.517 -0.462 -11.488 675 HE1 HIS 86 HE1 HIS 86 9.754 -2.866 -8.007 676 HE2 HIS 86 HE2 HIS 86 8.528 -0.996 -9.162 677 H HIS 87 H HIS 87 10.770 -3.291 -15.539 678 HA HIS 87 HA HIS 87 13.131 -1.914 -16.652 679 HB2 HIS 87 2HB HIS 87 11.837 -4.407 -17.848 680 HB3 HIS 87 1HB HIS 87 12.886 -3.336 -18.767 681 HD1 HIS 87 HD1 HIS 87 15.404 -3.081 -17.671 682 HD2 HIS 87 HD2 HIS 87 13.189 -6.432 -16.625 683 HE1 HIS 87 HE1 HIS 87 17.064 -4.741 -16.793 684 HE2 HIS 87 HE2 HIS 87 15.673 -6.675 -15.985 685 H HIS 88 H HIS 88 12.661 -0.728 -18.589 686 HA HIS 88 HA HIS 88 10.044 0.491 -18.622 687 HB2 HIS 88 2HB HIS 88 12.121 1.825 -18.935 688 HB3 HIS 88 1HB HIS 88 12.471 0.948 -20.420 689 HD1 HIS 88 HD1 HIS 88 10.158 3.562 -19.000 690 HD2 HIS 88 HD2 HIS 88 11.062 1.854 -22.680 691 HE1 HIS 88 HE1 HIS 88 8.988 4.973 -20.710 692 HE2 HIS 88 HE2 HIS 88 9.581 3.944 -22.929 693 H HIS 89 H HIS 89 8.535 0.402 -20.272 694 HA HIS 89 HA HIS 89 8.837 -1.657 -22.376 695 HB2 HIS 89 2HB HIS 89 6.325 -1.003 -20.771 696 HB3 HIS 89 1HB HIS 89 6.402 -2.146 -22.110 697 HD1 HIS 89 HD1 HIS 89 7.047 -1.822 -18.480 698 HD2 HIS 89 HD2 HIS 89 7.819 -4.580 -21.491 699 HE1 HIS 89 HE1 HIS 89 7.705 -3.936 -17.308 700 HE2 HIS 89 HE2 HIS 89 8.197 -5.584 -19.144 701 H HIS 90 H HIS 90 8.773 -0.742 -24.335 702 HA HIS 90 HA HIS 90 6.777 1.266 -25.016 703 HB2 HIS 90 2HB HIS 90 8.710 2.646 -24.253 704 HB3 HIS 90 1HB HIS 90 9.756 1.835 -25.417 705 HD1 HIS 90 HD1 HIS 90 6.783 4.179 -25.272 706 HD2 HIS 90 HD2 HIS 90 9.709 2.953 -27.967 707 HE1 HIS 90 HE1 HIS 90 6.523 5.661 -27.281 708 HE2 HIS 90 HE2 HIS 90 8.228 4.837 -28.928 709 H HIS 91 H HIS 91 9.610 -0.598 -26.064 710 HA HIS 91 HA HIS 91 10.201 -1.719 -27.911 711 HB2 HIS 91 2HB HIS 91 8.085 -2.949 -27.789 712 HB3 HIS 91 1HB HIS 91 7.229 -1.642 -28.599 713 HD1 HIS 91 HD1 HIS 91 7.494 -1.436 -31.153 714 HD2 HIS 91 HD2 HIS 91 9.586 -4.631 -29.516 715 HE1 HIS 91 HE1 HIS 91 8.211 -2.846 -33.097 716 HE2 HIS 91 HE2 HIS 91 9.618 -4.672 -32.096 Start of MODEL 2 1 H1 MET 1 1H MET 1 13.646 -0.090 -3.903 2 H2 MET 1 2H MET 1 13.203 1.395 -4.569 3 H3 MET 1 3H MET 1 12.397 -0.010 -5.034 4 HA MET 1 HA MET 1 12.374 1.200 -2.341 5 HB2 MET 1 2HB MET 1 10.194 1.054 -4.470 6 HB3 MET 1 1HB MET 1 9.920 1.580 -2.811 7 HG2 MET 1 2HG MET 1 10.111 3.504 -4.277 8 HG3 MET 1 1HG MET 1 11.481 3.468 -3.163 9 HE1 MET 1 3HE MET 1 13.078 5.062 -4.545 10 HE2 MET 1 1HE MET 1 11.685 5.376 -5.585 11 HE3 MET 1 2HE MET 1 13.246 4.967 -6.297 12 H LYS 2 H LYS 2 11.928 -0.212 -0.731 13 HA LYS 2 HA LYS 2 10.492 -2.724 -1.242 14 HB2 LYS 2 2HB LYS 2 12.876 -3.261 -1.674 15 HB3 LYS 2 1HB LYS 2 13.324 -2.620 -0.102 16 HG2 LYS 2 2HG LYS 2 13.300 -5.095 -0.148 17 HG3 LYS 2 1HG LYS 2 12.166 -4.436 1.033 18 HD2 LYS 2 2HD LYS 2 11.155 -6.334 -0.177 19 HD3 LYS 2 1HD LYS 2 10.288 -4.838 -0.526 20 HE2 LYS 2 2HE LYS 2 10.517 -6.029 -2.599 21 HE3 LYS 2 1HE LYS 2 11.625 -4.664 -2.667 22 HZ1 LYS 2 3HZ LYS 2 13.434 -6.160 -2.112 23 HZ2 LYS 2 1HZ LYS 2 12.630 -6.677 -3.508 24 HZ3 LYS 2 2HZ LYS 2 12.367 -7.464 -2.032 25 H ILE 3 H ILE 3 9.479 -3.563 0.575 26 HA ILE 3 HA ILE 3 8.941 -1.764 2.739 27 HB ILE 3 HB ILE 3 8.096 -4.696 2.592 28 HG12 ILE 3 2HG1 ILE 3 6.619 -2.311 1.366 29 HG13 ILE 3 1HG1 ILE 3 7.461 -3.554 0.450 30 HG21 ILE 3 1HG2 ILE 3 6.194 -3.965 3.988 31 HG22 ILE 3 2HG2 ILE 3 6.808 -2.310 3.976 32 HG23 ILE 3 3HG2 ILE 3 7.732 -3.589 4.769 33 HD11 ILE 3 3HD1 ILE 3 5.869 -5.227 1.309 34 HD12 ILE 3 1HD1 ILE 3 5.084 -3.929 0.409 35 HD13 ILE 3 2HD1 ILE 3 5.014 -3.944 2.170 36 H ILE 4 H ILE 4 10.786 -1.462 3.935 37 HA ILE 4 HA ILE 4 12.413 -3.635 4.966 38 HB ILE 4 HB ILE 4 12.543 -0.643 5.575 39 HG12 ILE 4 2HG1 ILE 4 12.887 -1.043 3.171 40 HG13 ILE 4 1HG1 ILE 4 14.392 -0.543 3.923 41 HG21 ILE 4 1HG2 ILE 4 14.858 -1.062 6.344 42 HG22 ILE 4 2HG2 ILE 4 14.630 -2.796 6.100 43 HG23 ILE 4 3HG2 ILE 4 13.677 -1.942 7.317 44 HD11 ILE 4 3HD1 ILE 4 14.786 -2.285 2.292 45 HD12 ILE 4 1HD1 ILE 4 13.650 -3.359 3.110 46 HD13 ILE 4 2HD1 ILE 4 15.157 -2.891 3.904 47 H SER 5 H SER 5 9.934 -1.402 6.175 48 HA SER 5 HA SER 5 9.678 -3.050 8.621 49 HB2 SER 5 2HB SER 5 10.870 -1.013 9.297 50 HB3 SER 5 1HB SER 5 9.648 -0.004 8.538 51 HG SER 5 HG SER 5 9.054 -1.825 10.629 52 H ILE 6 H ILE 6 7.662 -3.337 9.396 53 HA ILE 6 HA ILE 6 5.294 -2.141 8.069 54 HB ILE 6 HB ILE 6 5.665 -5.039 8.995 55 HG12 ILE 6 2HG1 ILE 6 5.169 -3.937 6.193 56 HG13 ILE 6 1HG1 ILE 6 6.688 -4.600 6.785 57 HG21 ILE 6 1HG2 ILE 6 3.390 -4.264 9.546 58 HG22 ILE 6 2HG2 ILE 6 3.350 -5.475 8.266 59 HG23 ILE 6 3HG2 ILE 6 3.143 -3.769 7.869 60 HD11 ILE 6 3HD1 ILE 6 4.111 -6.096 6.352 61 HD12 ILE 6 1HD1 ILE 6 5.576 -6.792 7.055 62 HD13 ILE 6 2HD1 ILE 6 5.588 -6.201 5.395 63 H SER 7 H SER 7 3.804 -1.320 9.558 64 HA SER 7 HA SER 7 4.451 -1.570 12.425 65 HB2 SER 7 2HB SER 7 3.104 0.475 12.731 66 HB3 SER 7 1HB SER 7 4.344 0.730 11.502 67 HG SER 7 HG SER 7 1.586 0.181 11.056 68 H GLU 8 H GLU 8 3.341 -3.863 11.596 69 HA GLU 8 HA GLU 8 0.540 -3.814 12.480 70 HB2 GLU 8 2HB GLU 8 2.197 -5.778 10.910 71 HB3 GLU 8 1HB GLU 8 0.758 -6.330 11.743 72 HG2 GLU 8 2HG GLU 8 0.822 -4.123 9.671 73 HG3 GLU 8 1HG GLU 8 0.373 -5.797 9.351 74 H THR 9 H THR 9 3.595 -4.600 13.548 75 HA THR 9 HA THR 9 2.722 -6.250 15.783 76 HB THR 9 HB THR 9 5.574 -5.277 15.255 77 HG1 THR 9 HG1 THR 9 5.731 -7.552 14.467 78 HG21 THR 9 3HG2 THR 9 6.210 -7.185 16.703 79 HG22 THR 9 1HG2 THR 9 4.505 -7.577 16.950 80 HG23 THR 9 2HG2 THR 9 5.165 -6.065 17.578 81 HA PRO 10 HA PRO 10 3.901 -2.293 18.234 82 HB2 PRO 10 2HB PRO 10 4.907 -0.050 17.132 83 HB3 PRO 10 1HB PRO 10 5.939 -1.478 17.378 84 HG2 PRO 10 2HG PRO 10 4.592 -0.536 14.866 85 HG3 PRO 10 1HG PRO 10 6.253 -1.129 15.095 86 HD2 PRO 10 2HD PRO 10 4.177 -2.703 14.166 87 HD3 PRO 10 1HD PRO 10 5.616 -3.342 14.989 88 H ASN 11 H ASN 11 2.068 -2.090 15.385 89 HA ASN 11 HA ASN 11 0.011 -0.413 16.616 90 HB2 ASN 11 2HB ASN 11 1.693 0.975 15.091 91 HB3 ASN 11 1HB ASN 11 0.842 0.221 13.754 92 HD21 ASN 11 1HD2 ASN 11 1.025 3.039 14.432 93 HD22 ASN 11 2HD2 ASN 11 -0.593 3.596 14.671 94 H HIS 12 H HIS 12 -1.647 -0.409 14.204 95 HA HIS 12 HA HIS 12 -1.860 -3.014 13.037 96 HB2 HIS 12 2HB HIS 12 -2.594 -3.575 15.365 97 HB3 HIS 12 1HB HIS 12 -3.841 -2.338 15.278 98 HD1 HIS 12 HD1 HIS 12 -5.937 -3.668 15.339 99 HD2 HIS 12 HD2 HIS 12 -3.197 -5.270 12.656 100 HE1 HIS 12 HE1 HIS 12 -7.135 -5.558 14.213 101 HE2 HIS 12 HE2 HIS 12 -5.391 -6.634 12.762 102 H ASN 13 H ASN 13 -3.392 -3.082 11.436 103 HA ASN 13 HA ASN 13 -4.898 -2.479 9.895 104 HB2 ASN 13 2HB ASN 13 -5.876 -0.513 11.995 105 HB3 ASN 13 1HB ASN 13 -6.702 -0.801 10.463 106 HD21 ASN 13 1HD2 ASN 13 -7.514 -1.305 13.300 107 HD22 ASN 13 2HD2 ASN 13 -7.982 -2.971 13.330 108 H THR 14 H THR 14 -2.252 -1.154 10.301 109 HA THR 14 HA THR 14 -2.380 0.441 7.929 110 HB THR 14 HB THR 14 -2.958 2.197 9.605 111 HG1 THR 14 HG1 THR 14 -1.854 3.484 8.361 112 HG21 THR 14 3HG2 THR 14 -1.285 2.961 11.270 113 HG22 THR 14 1HG2 THR 14 -0.234 1.610 10.839 114 HG23 THR 14 2HG2 THR 14 -1.796 1.304 11.603 115 H MET 15 H MET 15 -0.381 0.423 6.887 116 HA MET 15 HA MET 15 1.905 -0.786 8.338 117 HB2 MET 15 2HB MET 15 1.266 -0.938 5.360 118 HB3 MET 15 1HB MET 15 2.773 -1.493 6.083 119 HG2 MET 15 2HG MET 15 1.419 -3.080 7.481 120 HG3 MET 15 1HG MET 15 0.016 -2.606 6.531 121 HE1 MET 15 3HE MET 15 1.605 -2.231 3.607 122 HE2 MET 15 1HE MET 15 -0.007 -2.934 3.752 123 HE3 MET 15 2HE MET 15 1.264 -3.808 2.899 124 H LYS 16 H LYS 16 3.085 0.856 8.949 125 HA LYS 16 HA LYS 16 3.887 3.085 7.305 126 HB2 LYS 16 2HB LYS 16 4.087 3.576 9.606 127 HB3 LYS 16 1HB LYS 16 4.605 1.962 10.024 128 HG2 LYS 16 2HG LYS 16 6.415 3.425 10.514 129 HG3 LYS 16 1HG LYS 16 6.877 2.506 9.086 130 HD2 LYS 16 2HD LYS 16 6.371 4.456 7.661 131 HD3 LYS 16 1HD LYS 16 5.861 5.374 9.080 132 HE2 LYS 16 2HE LYS 16 8.158 5.197 10.012 133 HE3 LYS 16 1HE LYS 16 8.665 4.286 8.593 134 HZ1 LYS 16 3HZ LYS 16 7.707 7.102 8.577 135 HZ2 LYS 16 1HZ LYS 16 8.245 6.231 7.229 136 HZ3 LYS 16 2HZ LYS 16 9.317 6.607 8.472 137 H ILE 17 H ILE 17 4.413 2.000 5.377 138 HA ILE 17 HA ILE 17 6.427 -0.080 5.295 139 HB ILE 17 HB ILE 17 5.074 1.541 3.080 140 HG12 ILE 17 2HG1 ILE 17 4.744 -1.381 3.925 141 HG13 ILE 17 1HG1 ILE 17 3.597 -0.081 4.233 142 HG21 ILE 17 1HG2 ILE 17 6.095 -0.004 1.426 143 HG22 ILE 17 2HG2 ILE 17 7.040 -0.749 2.715 144 HG23 ILE 17 3HG2 ILE 17 7.314 0.939 2.286 145 HD11 ILE 17 3HD1 ILE 17 2.851 -1.470 2.403 146 HD12 ILE 17 1HD1 ILE 17 4.357 -1.191 1.529 147 HD13 ILE 17 2HD1 ILE 17 3.234 0.144 1.808 148 H THR 18 H THR 18 8.184 0.733 6.265 149 HA THR 18 HA THR 18 9.418 3.244 5.477 150 HB THR 18 HB THR 18 10.630 0.937 7.078 151 HG1 THR 18 HG1 THR 18 8.755 1.768 8.086 152 HG21 THR 18 3HG2 THR 18 12.156 2.658 7.987 153 HG22 THR 18 1HG2 THR 18 11.435 3.871 6.923 154 HG23 THR 18 2HG2 THR 18 12.336 2.514 6.239 155 H LEU 19 H LEU 19 10.390 3.395 3.553 156 HA LEU 19 HA LEU 19 11.451 1.084 2.125 157 HB2 LEU 19 2HB LEU 19 11.405 4.055 1.414 158 HB3 LEU 19 1HB LEU 19 11.832 2.750 0.316 159 HG LEU 19 HG LEU 19 9.075 3.137 1.569 160 HD11 LEU 19 1HD1 LEU 19 9.963 3.729 -1.273 161 HD12 LEU 19 2HD1 LEU 19 9.539 4.920 -0.041 162 HD13 LEU 19 3HD1 LEU 19 8.308 3.825 -0.661 163 HD21 LEU 19 3HD2 LEU 19 8.312 1.401 -0.022 164 HD22 LEU 19 1HD2 LEU 19 9.512 0.772 1.106 165 HD23 LEU 19 2HD2 LEU 19 9.978 1.151 -0.553 166 H SER 20 H SER 20 13.695 2.640 0.918 167 HA SER 20 HA SER 20 15.749 2.267 2.910 168 HB2 SER 20 2HB SER 20 17.248 3.131 1.049 169 HB3 SER 20 1HB SER 20 16.253 1.747 0.602 170 HG SER 20 HG SER 20 16.249 4.293 -0.386 171 H GLU 21 H GLU 21 13.584 4.492 3.120 172 HA GLU 21 HA GLU 21 13.256 6.480 4.018 173 HB2 GLU 21 2HB GLU 21 16.222 6.408 4.673 174 HB3 GLU 21 1HB GLU 21 15.102 7.637 5.259 175 HG2 GLU 21 2HG GLU 21 13.829 5.923 6.471 176 HG3 GLU 21 1HG GLU 21 14.912 4.667 5.859 177 H SER 22 H SER 22 12.612 7.408 2.123 178 HA SER 22 HA SER 22 14.373 8.813 0.343 179 HB2 SER 22 2HB SER 22 12.118 8.069 -0.386 180 HB3 SER 22 1HB SER 22 11.371 9.146 0.790 181 HG SER 22 HG SER 22 13.066 9.990 -1.331 182 H ARG 23 H ARG 23 15.157 10.853 0.553 183 HA ARG 23 HA ARG 23 14.904 12.260 3.059 184 HB2 ARG 23 2HB ARG 23 16.326 13.141 0.502 185 HB3 ARG 23 1HB ARG 23 16.535 13.849 2.105 186 HG2 ARG 23 2HG ARG 23 17.442 11.630 2.889 187 HG3 ARG 23 1HG ARG 23 17.354 11.059 1.218 188 HD2 ARG 23 2HD ARG 23 19.631 11.779 1.707 189 HD3 ARG 23 1HD ARG 23 18.912 12.901 0.552 190 HE ARG 23 HE ARG 23 18.887 14.564 2.162 191 HH11 ARG 23 1HH1 ARG 23 20.073 11.584 3.604 192 HH12 ARG 23 2HH1 ARG 23 20.667 12.373 5.026 193 HH21 ARG 23 1HH2 ARG 23 19.633 15.575 4.066 194 HH22 ARG 23 2HH2 ARG 23 20.419 14.621 5.285 195 H GLU 24 H GLU 24 12.564 12.563 2.911 196 HA GLU 24 HA GLU 24 10.729 13.890 2.798 197 HB2 GLU 24 2HB GLU 24 12.448 15.588 3.548 198 HB3 GLU 24 1HB GLU 24 12.671 16.056 1.868 199 HG2 GLU 24 2HG GLU 24 10.327 16.858 1.782 200 HG3 GLU 24 1HG GLU 24 10.105 16.360 3.465 201 H GLY 25 H GLY 25 11.880 12.502 0.283 202 HA2 GLY 25 2HA GLY 25 11.138 14.097 -1.999 203 HA3 GLY 25 1HA GLY 25 11.679 12.423 -2.005 204 H MET 26 H MET 26 9.569 11.656 -0.048 205 HA MET 26 HA MET 26 7.429 11.107 -1.932 206 HB2 MET 26 2HB MET 26 7.626 10.397 1.037 207 HB3 MET 26 1HB MET 26 6.485 9.726 -0.123 208 HG2 MET 26 2HG MET 26 9.483 9.335 -0.134 209 HG3 MET 26 1HG MET 26 8.267 8.142 0.332 210 HE1 MET 26 3HE MET 26 9.748 6.770 -3.090 211 HE2 MET 26 1HE MET 26 9.548 6.448 -1.367 212 HE3 MET 26 2HE MET 26 10.656 7.709 -1.906 213 H THR 27 H THR 27 6.070 12.807 -2.332 214 HA THR 27 HA THR 27 5.415 14.821 -0.381 215 HB THR 27 HB THR 27 3.769 15.614 -2.164 216 HG1 THR 27 HG1 THR 27 3.322 13.744 -3.283 217 HG21 THR 27 3HG2 THR 27 6.631 15.205 -3.110 218 HG22 THR 27 1HG2 THR 27 6.073 16.523 -2.075 219 HG23 THR 27 2HG2 THR 27 5.493 16.400 -3.737 220 H SER 28 H SER 28 3.277 15.280 0.463 221 HA SER 28 HA SER 28 1.924 12.986 1.481 222 HB2 SER 28 2HB SER 28 0.364 14.675 2.531 223 HB3 SER 28 1HB SER 28 2.067 14.963 2.879 224 HG SER 28 HG SER 28 0.307 16.617 1.772 225 H ASP 29 H ASP 29 1.010 11.777 -0.090 226 HA ASP 29 HA ASP 29 -1.195 12.905 -1.700 227 HB2 ASP 29 2HB ASP 29 0.512 10.469 -2.358 228 HB3 ASP 29 1HB ASP 29 -0.761 11.155 -3.360 229 H THR 30 H THR 30 -3.065 12.358 -0.708 230 HA THR 30 HA THR 30 -3.328 9.791 0.695 231 HB THR 30 HB THR 30 -5.452 11.962 0.388 232 HG1 THR 30 HG1 THR 30 -3.180 12.256 1.603 233 HG21 THR 30 3HG2 THR 30 -6.312 9.765 1.143 234 HG22 THR 30 1HG2 THR 30 -6.397 10.959 2.442 235 HG23 THR 30 2HG2 THR 30 -5.119 9.742 2.445 236 H TYR 31 H TYR 31 -3.423 8.245 -0.883 237 HA TYR 31 HA TYR 31 -5.084 8.462 -3.241 238 HB2 TYR 31 2HB TYR 31 -3.610 6.016 -2.165 239 HB3 TYR 31 1HB TYR 31 -4.257 6.217 -3.790 240 HD1 TYR 31 HD1 TYR 31 -3.296 8.853 -4.640 241 HD2 TYR 31 HD2 TYR 31 -1.276 5.873 -2.337 242 HE1 TYR 31 HE1 TYR 31 -1.129 9.714 -5.415 243 HE2 TYR 31 HE2 TYR 31 0.886 6.736 -3.115 244 HH TYR 31 HH TYR 31 1.219 9.716 -4.725 245 H THR 32 H THR 32 -7.191 8.413 -2.841 246 HA THR 32 HA THR 32 -8.419 6.581 -0.884 247 HB THR 32 HB THR 32 -10.455 8.040 -1.127 248 HG1 THR 32 HG1 THR 32 -8.786 9.721 -2.715 249 HG21 THR 32 3HG2 THR 32 -8.829 8.602 0.651 250 HG22 THR 32 1HG2 THR 32 -9.574 10.063 -0.005 251 HG23 THR 32 2HG2 THR 32 -7.933 9.620 -0.480 252 H LYS 33 H LYS 33 -7.443 5.349 -2.950 253 HA LYS 33 HA LYS 33 -7.645 3.897 -4.563 254 HB2 LYS 33 2HB LYS 33 -9.607 2.404 -4.664 255 HB3 LYS 33 1HB LYS 33 -8.994 2.659 -3.045 256 HG2 LYS 33 2HG LYS 33 -11.248 2.698 -2.614 257 HG3 LYS 33 1HG LYS 33 -10.976 4.414 -2.899 258 HD2 LYS 33 2HD LYS 33 -11.680 3.942 -5.348 259 HD3 LYS 33 1HD LYS 33 -12.235 2.374 -4.766 260 HE2 LYS 33 2HE LYS 33 -14.076 4.037 -4.879 261 HE3 LYS 33 1HE LYS 33 -13.805 3.475 -3.227 262 HZ1 LYS 33 3HZ LYS 33 -14.112 5.910 -3.426 263 HZ2 LYS 33 1HZ LYS 33 -12.688 5.998 -4.328 264 HZ3 LYS 33 2HZ LYS 33 -12.636 5.485 -2.721 265 H VAL 34 H VAL 34 -7.192 4.716 -6.429 266 HA VAL 34 HA VAL 34 -7.254 5.649 -8.481 267 HB VAL 34 HB VAL 34 -10.030 4.416 -8.660 268 HG11 VAL 34 1HG1 VAL 34 -7.994 4.991 -10.855 269 HG12 VAL 34 2HG1 VAL 34 -9.514 5.849 -10.588 270 HG13 VAL 34 3HG1 VAL 34 -9.535 4.155 -11.078 271 HG21 VAL 34 3HG2 VAL 34 -7.351 3.040 -9.112 272 HG22 VAL 34 1HG2 VAL 34 -8.937 2.330 -9.429 273 HG23 VAL 34 2HG2 VAL 34 -8.469 2.741 -7.779 274 H ASP 35 H ASP 35 -7.226 7.872 -7.879 275 HA ASP 35 HA ASP 35 -9.726 9.375 -8.019 276 HB2 ASP 35 2HB ASP 35 -9.487 10.289 -5.709 277 HB3 ASP 35 1HB ASP 35 -9.783 8.555 -5.715 278 H ASP 36 H ASP 36 -6.250 9.549 -7.166 279 HA ASP 36 HA ASP 36 -6.244 12.411 -7.896 280 HB2 ASP 36 2HB ASP 36 -5.647 11.860 -5.552 281 HB3 ASP 36 1HB ASP 36 -4.331 10.836 -6.117 282 H SER 37 H SER 37 -3.305 10.486 -7.671 283 HA SER 37 HA SER 37 -2.834 10.223 -10.482 284 HB2 SER 37 2HB SER 37 -2.500 12.706 -10.163 285 HB3 SER 37 1HB SER 37 -1.248 12.357 -8.970 286 HG SER 37 HG SER 37 -1.246 11.796 -11.748 287 H GLN 38 H GLN 38 -2.464 8.139 -9.789 288 HA GLN 38 HA GLN 38 0.148 7.597 -8.599 289 HB2 GLN 38 2HB GLN 38 -0.805 5.712 -7.264 290 HB3 GLN 38 1HB GLN 38 -1.361 7.267 -6.704 291 HG2 GLN 38 2HG GLN 38 -3.093 5.744 -8.614 292 HG3 GLN 38 1HG GLN 38 -2.975 5.158 -6.960 293 HE21 GLN 38 1HE2 GLN 38 -5.176 5.568 -6.681 294 HE22 GLN 38 2HE2 GLN 38 -5.769 7.150 -6.397 295 HA PRO 39 HA PRO 39 0.508 4.790 -12.131 296 HB2 PRO 39 2HB PRO 39 1.910 3.004 -10.118 297 HB3 PRO 39 1HB PRO 39 2.439 3.514 -11.739 298 HG2 PRO 39 2HG PRO 39 3.509 4.630 -9.583 299 HG3 PRO 39 1HG PRO 39 3.127 5.615 -11.015 300 HD2 PRO 39 2HD PRO 39 1.642 5.432 -8.408 301 HD3 PRO 39 1HD PRO 39 1.921 6.837 -9.458 302 H ALA 40 H ALA 40 -0.464 2.905 -12.902 303 HA ALA 40 HA ALA 40 -2.846 2.011 -11.812 304 HB1 ALA 40 3HB ALA 40 -2.766 0.208 -13.491 305 HB2 ALA 40 1HB ALA 40 -1.051 0.526 -13.767 306 HB3 ALA 40 2HB ALA 40 -2.258 1.750 -14.182 307 H PHE 41 H PHE 41 0.391 0.761 -11.415 308 HA PHE 41 HA PHE 41 -0.026 -1.674 -10.139 309 HB2 PHE 41 2HB PHE 41 2.213 0.350 -9.694 310 HB3 PHE 41 1HB PHE 41 2.280 -1.357 -9.257 311 HD1 PHE 41 HD1 PHE 41 2.266 -3.106 -11.069 312 HD2 PHE 41 HD2 PHE 41 2.646 1.053 -11.981 313 HE1 PHE 41 HE1 PHE 41 3.087 -3.672 -13.317 314 HE2 PHE 41 HE2 PHE 41 3.474 0.477 -14.228 315 HZ PHE 41 HZ PHE 41 3.689 -1.884 -14.901 316 H ILE 42 H ILE 42 0.304 1.590 -8.673 317 HA ILE 42 HA ILE 42 -0.192 0.807 -5.965 318 HB ILE 42 HB ILE 42 -0.516 3.548 -7.283 319 HG12 ILE 42 2HG1 ILE 42 1.813 2.674 -7.380 320 HG13 ILE 42 1HG1 ILE 42 1.703 4.080 -6.330 321 HG21 ILE 42 1HG2 ILE 42 -1.841 3.495 -5.219 322 HG22 ILE 42 2HG2 ILE 42 -0.423 4.519 -4.996 323 HG23 ILE 42 3HG2 ILE 42 -0.452 2.893 -4.309 324 HD11 ILE 42 3HD1 ILE 42 3.173 2.390 -5.387 325 HD12 ILE 42 1HD1 ILE 42 1.874 1.200 -5.424 326 HD13 ILE 42 2HD1 ILE 42 1.757 2.604 -4.360 327 H ASN 43 H ASN 43 -2.255 1.607 -8.686 328 HA ASN 43 HA ASN 43 -4.680 2.075 -7.227 329 HB2 ASN 43 2HB ASN 43 -4.026 1.652 -10.163 330 HB3 ASN 43 1HB ASN 43 -5.695 1.716 -9.622 331 HD21 ASN 43 1HD2 ASN 43 -3.490 3.589 -11.038 332 HD22 ASN 43 2HD2 ASN 43 -3.944 5.135 -10.423 333 H ASP 44 H ASP 44 -3.129 -0.756 -8.649 334 HA ASP 44 HA ASP 44 -5.291 -2.569 -8.385 335 HB2 ASP 44 2HB ASP 44 -2.300 -2.878 -8.742 336 HB3 ASP 44 1HB ASP 44 -3.243 -4.296 -8.291 337 H ILE 45 H ILE 45 -2.695 -1.601 -6.148 338 HA ILE 45 HA ILE 45 -3.260 -3.371 -4.004 339 HB ILE 45 HB ILE 45 -2.241 -0.494 -3.768 340 HG12 ILE 45 2HG1 ILE 45 -0.582 -3.046 -4.034 341 HG13 ILE 45 1HG1 ILE 45 -0.850 -1.885 -5.329 342 HG21 ILE 45 1HG2 ILE 45 -1.210 -1.229 -1.628 343 HG22 ILE 45 2HG2 ILE 45 -1.959 -2.816 -1.815 344 HG23 ILE 45 3HG2 ILE 45 -2.967 -1.384 -1.595 345 HD11 ILE 45 3HD1 ILE 45 1.331 -1.589 -4.331 346 HD12 ILE 45 1HD1 ILE 45 0.608 -1.346 -2.742 347 HD13 ILE 45 2HD1 ILE 45 0.330 -0.170 -4.030 348 H LEU 46 H LEU 46 -4.409 -0.151 -4.762 349 HA LEU 46 HA LEU 46 -6.229 0.289 -2.672 350 HB2 LEU 46 2HB LEU 46 -6.049 1.355 -5.508 351 HB3 LEU 46 1HB LEU 46 -7.206 1.969 -4.343 352 HG LEU 46 HG LEU 46 -4.209 2.022 -3.824 353 HD11 LEU 46 1HD1 LEU 46 -4.198 4.385 -4.499 354 HD12 LEU 46 2HD1 LEU 46 -5.871 4.247 -5.046 355 HD13 LEU 46 3HD1 LEU 46 -4.599 3.324 -5.848 356 HD21 LEU 46 3HD2 LEU 46 -5.635 2.217 -1.818 357 HD22 LEU 46 1HD2 LEU 46 -6.486 3.585 -2.543 358 HD23 LEU 46 2HD2 LEU 46 -4.773 3.720 -2.135 359 H LYS 47 H LYS 47 -6.578 -1.394 -5.752 360 HA LYS 47 HA LYS 47 -9.443 -1.804 -5.507 361 HB2 LYS 47 2HB LYS 47 -7.395 -2.819 -7.510 362 HB3 LYS 47 1HB LYS 47 -9.096 -3.278 -7.568 363 HG2 LYS 47 2HG LYS 47 -9.739 -0.925 -7.886 364 HG3 LYS 47 1HG LYS 47 -8.041 -0.438 -7.799 365 HD2 LYS 47 2HD LYS 47 -7.536 -1.706 -9.836 366 HD3 LYS 47 1HD LYS 47 -9.192 -2.323 -9.902 367 HE2 LYS 47 2HE LYS 47 -8.375 0.591 -10.177 368 HE3 LYS 47 1HE LYS 47 -8.845 -0.482 -11.496 369 HZ1 LYS 47 3HZ LYS 47 -10.595 0.309 -9.228 370 HZ2 LYS 47 1HZ LYS 47 -11.037 -0.680 -10.525 371 HZ3 LYS 47 2HZ LYS 47 -10.665 0.946 -10.790 372 H VAL 48 H VAL 48 -6.706 -3.397 -4.176 373 HA VAL 48 HA VAL 48 -7.851 -6.029 -3.963 374 HB VAL 48 HB VAL 48 -5.790 -4.738 -2.095 375 HG11 VAL 48 1HG1 VAL 48 -5.237 -7.064 -1.418 376 HG12 VAL 48 2HG1 VAL 48 -6.556 -7.670 -2.423 377 HG13 VAL 48 3HG1 VAL 48 -6.906 -6.649 -1.026 378 HG21 VAL 48 3HG2 VAL 48 -4.909 -4.836 -4.376 379 HG22 VAL 48 1HG2 VAL 48 -5.340 -6.543 -4.504 380 HG23 VAL 48 2HG2 VAL 48 -4.087 -6.029 -3.371 381 H GLU 49 H GLU 49 -9.799 -6.246 -3.091 382 HA GLU 49 HA GLU 49 -11.070 -4.343 -1.419 383 HB2 GLU 49 2HB GLU 49 -11.873 -7.204 -2.089 384 HB3 GLU 49 1HB GLU 49 -12.934 -5.998 -1.362 385 HG2 GLU 49 2HG GLU 49 -12.805 -4.623 -3.380 386 HG3 GLU 49 1HG GLU 49 -11.651 -5.743 -4.104 387 H GLY 50 H GLY 50 -10.066 -4.006 0.461 388 HA2 GLY 50 2HA GLY 50 -10.384 -5.341 2.810 389 HA3 GLY 50 1HA GLY 50 -8.925 -6.074 2.134 390 H VAL 51 H VAL 51 -7.927 -3.835 0.771 391 HA VAL 51 HA VAL 51 -6.804 -2.118 2.789 392 HB VAL 51 HB VAL 51 -6.760 -1.849 -0.264 393 HG11 VAL 51 1HG1 VAL 51 -4.811 -0.356 0.037 394 HG12 VAL 51 2HG1 VAL 51 -4.992 -0.462 1.790 395 HG13 VAL 51 3HG1 VAL 51 -6.251 0.303 0.817 396 HG21 VAL 51 3HG2 VAL 51 -4.513 -2.863 -0.177 397 HG22 VAL 51 1HG2 VAL 51 -5.734 -3.964 0.466 398 HG23 VAL 51 2HG2 VAL 51 -4.668 -3.087 1.568 399 H LYS 52 H LYS 52 -7.674 -0.231 3.541 400 HA LYS 52 HA LYS 52 -10.154 0.824 2.498 401 HB2 LYS 52 2HB LYS 52 -9.672 0.858 4.942 402 HB3 LYS 52 1HB LYS 52 -8.302 1.927 4.659 403 HG2 LYS 52 2HG LYS 52 -9.881 3.648 3.763 404 HG3 LYS 52 1HG LYS 52 -11.231 2.587 4.167 405 HD2 LYS 52 2HD LYS 52 -9.244 3.674 6.210 406 HD3 LYS 52 1HD LYS 52 -10.780 4.445 5.827 407 HE2 LYS 52 2HE LYS 52 -11.074 3.177 7.849 408 HE3 LYS 52 1HE LYS 52 -11.947 2.348 6.566 409 HZ1 LYS 52 3HZ LYS 52 -10.313 0.683 6.458 410 HZ2 LYS 52 1HZ LYS 52 -10.632 0.909 8.098 411 HZ3 LYS 52 2HZ LYS 52 -9.220 1.546 7.417 412 H SER 53 H SER 53 -6.812 2.088 2.884 413 HA SER 53 HA SER 53 -6.827 3.477 0.365 414 HB2 SER 53 2HB SER 53 -6.590 5.813 1.430 415 HB3 SER 53 1HB SER 53 -8.215 5.128 1.454 416 HG SER 53 HG SER 53 -6.882 4.392 3.685 417 H ILE 54 H ILE 54 -4.854 5.115 0.384 418 HA ILE 54 HA ILE 54 -2.571 4.046 1.937 419 HB ILE 54 HB ILE 54 -2.562 4.669 -1.060 420 HG12 ILE 54 2HG1 ILE 54 -2.102 2.004 0.365 421 HG13 ILE 54 1HG1 ILE 54 -3.557 2.440 -0.521 422 HG21 ILE 54 1HG2 ILE 54 -0.462 5.416 -0.023 423 HG22 ILE 54 2HG2 ILE 54 -0.176 4.001 -1.034 424 HG23 ILE 54 3HG2 ILE 54 -0.242 3.828 0.720 425 HD11 ILE 54 3HD1 ILE 54 -2.244 2.556 -2.592 426 HD12 ILE 54 1HD1 ILE 54 -2.157 0.974 -1.820 427 HD13 ILE 54 2HD1 ILE 54 -0.799 2.088 -1.689 428 H PHE 55 H PHE 55 -1.836 5.737 3.126 429 HA PHE 55 HA PHE 55 -1.877 8.476 2.038 430 HB2 PHE 55 2HB PHE 55 -2.955 8.143 4.253 431 HB3 PHE 55 1HB PHE 55 -1.440 7.532 4.907 432 HD1 PHE 55 HD1 PHE 55 -2.658 10.547 3.004 433 HD2 PHE 55 HD2 PHE 55 -0.194 9.084 6.177 434 HE1 PHE 55 HE1 PHE 55 -2.010 12.849 3.569 435 HE2 PHE 55 HE2 PHE 55 0.442 11.396 6.739 436 HZ PHE 55 HZ PHE 55 -0.464 13.278 5.434 437 H HIS 56 H HIS 56 -0.130 8.584 0.789 438 HA HIS 56 HA HIS 56 2.512 7.564 1.529 439 HB2 HIS 56 2HB HIS 56 1.767 7.209 -0.737 440 HB3 HIS 56 1HB HIS 56 1.260 8.881 -0.919 441 HD1 HIS 56 HD1 HIS 56 2.781 10.243 -2.269 442 HD2 HIS 56 HD2 HIS 56 4.796 7.092 -0.464 443 HE1 HIS 56 HE1 HIS 56 5.074 10.267 -3.258 444 HE2 HIS 56 HE2 HIS 56 6.209 8.244 -2.301 445 H VAL 57 H VAL 57 4.139 8.875 2.426 446 HA VAL 57 HA VAL 57 4.496 11.622 1.800 447 HB VAL 57 HB VAL 57 2.503 11.901 3.303 448 HG11 VAL 57 1HG1 VAL 57 4.257 10.844 5.520 449 HG12 VAL 57 2HG1 VAL 57 2.852 10.035 4.820 450 HG13 VAL 57 3HG1 VAL 57 2.648 11.544 5.713 451 HG21 VAL 57 3HG2 VAL 57 3.383 13.742 4.699 452 HG22 VAL 57 1HG2 VAL 57 4.097 13.775 3.084 453 HG23 VAL 57 2HG2 VAL 57 5.030 13.156 4.449 454 H MET 58 H MET 58 6.373 12.547 2.717 455 HA MET 58 HA MET 58 8.372 12.818 3.650 456 HB2 MET 58 2HB MET 58 7.165 12.423 5.774 457 HB3 MET 58 1HB MET 58 7.513 10.703 5.665 458 HG2 MET 58 2HG MET 58 9.910 11.153 5.909 459 HG3 MET 58 1HG MET 58 9.596 12.892 5.919 460 HE1 MET 58 3HE MET 58 10.636 12.188 9.648 461 HE2 MET 58 1HE MET 58 10.951 13.170 8.218 462 HE3 MET 58 2HE MET 58 11.301 11.440 8.195 463 H ASP 59 H ASP 59 8.276 9.355 4.431 464 HA ASP 59 HA ASP 59 10.414 8.786 2.450 465 HB2 ASP 59 2HB ASP 59 11.649 7.488 4.108 466 HB3 ASP 59 1HB ASP 59 11.406 9.110 4.748 467 H PHE 60 H PHE 60 7.393 7.994 3.722 468 HA PHE 60 HA PHE 60 7.671 5.094 3.248 469 HB2 PHE 60 2HB PHE 60 6.353 4.653 5.240 470 HB3 PHE 60 1HB PHE 60 7.737 5.644 5.673 471 HD1 PHE 60 HD2 PHE 60 7.379 8.125 6.135 472 HD2 PHE 60 HD1 PHE 60 4.109 5.404 5.701 473 HE1 PHE 60 HE2 PHE 60 5.891 9.724 7.260 474 HE2 PHE 60 HE1 PHE 60 2.632 7.018 6.831 475 HZ PHE 60 HZ PHE 60 3.514 9.179 7.595 476 H ILE 61 H ILE 61 5.587 3.988 3.210 477 HA ILE 61 HA ILE 61 3.410 5.488 1.865 478 HB ILE 61 HB ILE 61 4.438 2.667 1.214 479 HG12 ILE 61 2HG1 ILE 61 4.627 5.230 -0.450 480 HG13 ILE 61 1HG1 ILE 61 5.971 4.440 0.365 481 HG21 ILE 61 1HG2 ILE 61 2.808 2.648 -0.629 482 HG22 ILE 61 2HG2 ILE 61 2.215 4.236 -0.139 483 HG23 ILE 61 3HG2 ILE 61 1.996 2.847 0.924 484 HD11 ILE 61 3HD1 ILE 61 5.692 2.493 -1.113 485 HD12 ILE 61 1HD1 ILE 61 6.020 3.984 -1.994 486 HD13 ILE 61 2HD1 ILE 61 4.383 3.334 -1.947 487 H SER 62 H SER 62 1.898 5.581 3.522 488 HA SER 62 HA SER 62 1.625 3.393 5.426 489 HB2 SER 62 2HB SER 62 1.569 5.732 6.245 490 HB3 SER 62 1HB SER 62 0.096 6.019 5.325 491 HG SER 62 HG SER 62 0.234 3.887 7.174 492 H VAL 63 H VAL 63 0.773 1.704 4.200 493 HA VAL 63 HA VAL 63 -1.780 2.078 2.789 494 HB VAL 63 HB VAL 63 -0.204 -0.526 3.129 495 HG11 VAL 63 1HG1 VAL 63 -2.570 -0.845 2.484 496 HG12 VAL 63 2HG1 VAL 63 -1.479 -1.317 1.184 497 HG13 VAL 63 3HG1 VAL 63 -2.342 0.219 1.092 498 HG21 VAL 63 3HG2 VAL 63 0.749 -0.128 0.891 499 HG22 VAL 63 1HG2 VAL 63 1.216 1.153 2.011 500 HG23 VAL 63 2HG2 VAL 63 -0.048 1.447 0.813 501 H ASP 64 H ASP 64 -3.543 2.157 4.114 502 HA ASP 64 HA ASP 64 -3.632 0.425 6.518 503 HB2 ASP 64 2HB ASP 64 -5.116 1.995 7.543 504 HB3 ASP 64 1HB ASP 64 -3.792 2.924 6.864 505 H LYS 65 H LYS 65 -5.834 -0.343 7.146 506 HA LYS 65 HA LYS 65 -7.296 -1.438 4.823 507 HB2 LYS 65 2HB LYS 65 -6.889 -3.741 5.651 508 HB3 LYS 65 1HB LYS 65 -5.369 -2.938 5.257 509 HG2 LYS 65 2HG LYS 65 -4.850 -2.562 7.572 510 HG3 LYS 65 1HG LYS 65 -6.472 -3.038 8.083 511 HD2 LYS 65 2HD LYS 65 -6.028 -5.353 7.388 512 HD3 LYS 65 1HD LYS 65 -4.412 -4.891 6.836 513 HE2 LYS 65 2HE LYS 65 -3.830 -4.223 9.154 514 HE3 LYS 65 1HE LYS 65 -5.437 -4.726 9.693 515 HZ1 LYS 65 3HZ LYS 65 -3.451 -6.512 8.422 516 HZ2 LYS 65 1HZ LYS 65 -4.936 -6.963 9.093 517 HZ3 LYS 65 2HZ LYS 65 -3.698 -6.378 10.086 518 H GLU 66 H GLU 66 -8.785 -3.323 5.933 519 HA GLU 66 HA GLU 66 -10.441 -2.133 8.011 520 HB2 GLU 66 2HB GLU 66 -10.745 -4.784 6.533 521 HB3 GLU 66 1HB GLU 66 -11.956 -4.041 7.577 522 HG2 GLU 66 2HG GLU 66 -10.982 -3.071 4.876 523 HG3 GLU 66 1HG GLU 66 -12.598 -3.631 5.306 524 H ASN 67 H ASN 67 -11.154 -3.519 9.847 525 HA ASN 67 HA ASN 67 -8.887 -4.075 11.448 526 HB2 ASN 67 2HB ASN 67 -10.487 -4.493 13.258 527 HB3 ASN 67 1HB ASN 67 -10.962 -3.074 12.337 528 HD21 ASN 67 1HD2 ASN 67 -11.826 -6.269 13.293 529 HD22 ASN 67 2HD2 ASN 67 -13.397 -6.301 12.574 530 H ASP 68 H ASP 68 -10.960 -6.174 9.614 531 HA ASP 68 HA ASP 68 -9.845 -8.610 10.828 532 HB2 ASP 68 2HB ASP 68 -12.172 -8.192 8.927 533 HB3 ASP 68 1HB ASP 68 -11.555 -9.789 9.338 534 H ALA 69 H ALA 69 -9.649 -6.704 7.918 535 HA ALA 69 HA ALA 69 -8.811 -8.476 5.973 536 HB1 ALA 69 3HB ALA 69 -9.285 -6.098 5.545 537 HB2 ALA 69 1HB ALA 69 -7.712 -6.554 4.884 538 HB3 ALA 69 2HB ALA 69 -7.805 -5.638 6.390 539 H ASN 70 H ASN 70 -6.997 -9.641 5.533 540 HA ASN 70 HA ASN 70 -4.724 -9.513 7.443 541 HB2 ASN 70 2HB ASN 70 -5.760 -11.761 5.670 542 HB3 ASN 70 1HB ASN 70 -4.224 -11.852 6.529 543 HD21 ASN 70 1HD2 ASN 70 -4.222 -12.148 8.749 544 HD22 ASN 70 2HD2 ASN 70 -5.642 -12.562 9.643 545 H TRP 71 H TRP 71 -2.798 -8.792 6.747 546 HA TRP 71 HA TRP 71 -2.336 -8.009 4.032 547 HB2 TRP 71 2HB TRP 71 -0.419 -8.167 6.385 548 HB3 TRP 71 1HB TRP 71 0.013 -7.512 4.808 549 HD1 TRP 71 HD1 TRP 71 -0.933 -6.325 8.056 550 HE1 TRP 71 HE1 TRP 71 -1.853 -3.928 8.001 551 HE3 TRP 71 HE3 TRP 71 -1.914 -5.975 3.053 552 HZ2 TRP 71 HZ2 TRP 71 -2.853 -2.133 6.084 553 HZ3 TRP 71 HZ3 TRP 71 -2.865 -3.877 2.192 554 HH2 TRP 71 HH2 TRP 71 -3.326 -1.997 3.680 555 H GLU 72 H GLU 72 -1.910 -10.999 5.692 556 HA GLU 72 HA GLU 72 0.312 -12.092 4.369 557 HB2 GLU 72 2HB GLU 72 -0.855 -13.111 6.341 558 HB3 GLU 72 1HB GLU 72 -2.186 -13.583 5.291 559 HG2 GLU 72 2HG GLU 72 -0.593 -15.003 3.991 560 HG3 GLU 72 1HG GLU 72 0.679 -14.578 5.137 561 H THR 73 H THR 73 -3.029 -11.765 3.355 562 HA THR 73 HA THR 73 -2.758 -13.278 0.901 563 HB THR 73 HB THR 73 -5.031 -11.465 1.829 564 HG1 THR 73 HG1 THR 73 -4.609 -14.267 2.213 565 HG21 THR 73 3HG2 THR 73 -6.444 -12.829 0.322 566 HG22 THR 73 1HG2 THR 73 -5.023 -13.735 -0.201 567 HG23 THR 73 2HG2 THR 73 -5.165 -12.018 -0.583 568 H VAL 74 H VAL 74 -2.939 -9.871 1.900 569 HA VAL 74 HA VAL 74 -3.273 -8.783 -0.732 570 HB VAL 74 HB VAL 74 -2.565 -7.336 1.861 571 HG11 VAL 74 1HG1 VAL 74 -3.761 -6.214 -0.710 572 HG12 VAL 74 2HG1 VAL 74 -2.130 -5.921 -0.108 573 HG13 VAL 74 3HG1 VAL 74 -3.516 -5.319 0.794 574 HG21 VAL 74 3HG2 VAL 74 -4.972 -6.900 2.113 575 HG22 VAL 74 1HG2 VAL 74 -4.645 -8.635 2.103 576 HG23 VAL 74 2HG2 VAL 74 -5.316 -7.856 0.669 577 H LEU 75 H LEU 75 -0.522 -9.209 1.418 578 HA LEU 75 HA LEU 75 1.158 -7.176 0.491 579 HB2 LEU 75 2HB LEU 75 1.261 -8.613 2.687 580 HB3 LEU 75 1HB LEU 75 2.294 -9.676 1.766 581 HG LEU 75 HG LEU 75 2.908 -6.733 2.296 582 HD11 LEU 75 1HD1 LEU 75 4.504 -7.519 4.009 583 HD12 LEU 75 2HD1 LEU 75 3.958 -9.180 3.761 584 HD13 LEU 75 3HD1 LEU 75 2.846 -7.970 4.405 585 HD21 LEU 75 3HD2 LEU 75 5.226 -7.284 1.630 586 HD22 LEU 75 1HD2 LEU 75 4.094 -7.566 0.311 587 HD23 LEU 75 2HD2 LEU 75 4.727 -8.931 1.233 588 HA PRO 76 HA PRO 76 3.370 -10.738 -2.357 589 HB2 PRO 76 2HB PRO 76 0.680 -11.910 -3.145 590 HB3 PRO 76 1HB PRO 76 2.289 -12.673 -3.142 591 HG2 PRO 76 2HG PRO 76 0.609 -13.208 -1.187 592 HG3 PRO 76 1HG PRO 76 2.327 -12.922 -0.821 593 HD2 PRO 76 2HD PRO 76 -0.022 -11.100 -0.390 594 HD3 PRO 76 1HD PRO 76 1.433 -11.315 0.603 595 H LYS 77 H LYS 77 0.250 -9.143 -2.879 596 HA LYS 77 HA LYS 77 0.713 -8.587 -5.698 597 HB2 LYS 77 2HB LYS 77 -1.510 -7.688 -3.811 598 HB3 LYS 77 1HB LYS 77 -1.452 -7.284 -5.521 599 HG2 LYS 77 2HG LYS 77 -2.978 -9.104 -5.318 600 HG3 LYS 77 1HG LYS 77 -1.505 -9.769 -6.027 601 HD2 LYS 77 2HD LYS 77 -0.854 -10.617 -3.753 602 HD3 LYS 77 1HD LYS 77 -2.392 -10.024 -3.121 603 HE2 LYS 77 2HE LYS 77 -2.090 -12.122 -5.303 604 HE3 LYS 77 1HE LYS 77 -2.418 -12.465 -3.606 605 HZ1 LYS 77 3HZ LYS 77 -4.497 -11.251 -3.805 606 HZ2 LYS 77 1HZ LYS 77 -4.425 -12.517 -4.920 607 HZ3 LYS 77 2HZ LYS 77 -4.177 -10.928 -5.431 608 H VAL 78 H VAL 78 0.717 -6.801 -2.630 609 HA VAL 78 HA VAL 78 1.370 -4.203 -3.589 610 HB VAL 78 HB VAL 78 2.067 -5.468 -0.886 611 HG11 VAL 78 1HG1 VAL 78 2.060 -3.171 0.022 612 HG12 VAL 78 2HG1 VAL 78 1.796 -2.525 -1.599 613 HG13 VAL 78 3HG1 VAL 78 3.293 -3.377 -1.222 614 HG21 VAL 78 3HG2 VAL 78 -0.455 -3.954 -1.662 615 HG22 VAL 78 1HG2 VAL 78 -0.053 -4.521 -0.037 616 HG23 VAL 78 2HG2 VAL 78 -0.336 -5.685 -1.334 617 H GLU 79 H GLU 79 3.251 -6.991 -2.729 618 HA GLU 79 HA GLU 79 5.887 -6.000 -2.628 619 HB2 GLU 79 2HB GLU 79 5.174 -8.173 -1.662 620 HB3 GLU 79 1HB GLU 79 4.776 -8.784 -3.260 621 HG2 GLU 79 2HG GLU 79 6.824 -9.792 -2.660 622 HG3 GLU 79 1HG GLU 79 7.234 -8.548 -3.842 623 H ALA 80 H ALA 80 3.990 -7.627 -5.102 624 HA ALA 80 HA ALA 80 5.758 -7.778 -7.239 625 HB1 ALA 80 3HB ALA 80 3.600 -8.965 -7.136 626 HB2 ALA 80 1HB ALA 80 3.745 -8.051 -8.641 627 HB3 ALA 80 2HB ALA 80 2.739 -7.437 -7.326 628 H VAL 81 H VAL 81 3.885 -5.049 -6.061 629 HA VAL 81 HA VAL 81 4.058 -3.376 -8.379 630 HB VAL 81 HB VAL 81 3.477 -2.775 -5.451 631 HG11 VAL 81 1HG1 VAL 81 3.320 -0.800 -7.754 632 HG12 VAL 81 2HG1 VAL 81 4.377 -0.706 -6.347 633 HG13 VAL 81 3HG1 VAL 81 2.634 -0.539 -6.150 634 HG21 VAL 81 3HG2 VAL 81 1.141 -2.555 -6.208 635 HG22 VAL 81 1HG2 VAL 81 1.792 -4.148 -6.591 636 HG23 VAL 81 2HG2 VAL 81 1.629 -2.931 -7.860 637 H PHE 82 H PHE 82 5.789 -3.247 -5.227 638 HA PHE 82 HA PHE 82 7.725 -1.341 -6.009 639 HB2 PHE 82 2HB PHE 82 7.985 -3.460 -3.837 640 HB3 PHE 82 1HB PHE 82 8.883 -1.944 -3.937 641 HD1 PHE 82 HD1 PHE 82 6.861 0.044 -4.610 642 HD2 PHE 82 HD2 PHE 82 6.578 -3.289 -1.943 643 HE1 PHE 82 HE1 PHE 82 5.055 1.172 -3.386 644 HE2 PHE 82 HE2 PHE 82 4.778 -2.140 -0.728 645 HZ PHE 82 HZ PHE 82 4.010 0.064 -1.470 646 H GLU 83 H GLU 83 7.672 -4.825 -6.450 647 HA GLU 83 HA GLU 83 10.467 -5.074 -7.150 648 HB2 GLU 83 2HB GLU 83 8.115 -6.993 -7.314 649 HB3 GLU 83 1HB GLU 83 9.719 -7.426 -7.901 650 HG2 GLU 83 2HG GLU 83 9.164 -6.551 -5.053 651 HG3 GLU 83 1HG GLU 83 9.142 -8.234 -5.580 652 H LEU 84 H LEU 84 7.441 -4.618 -8.889 653 HA LEU 84 HA LEU 84 6.753 -4.839 -11.039 654 HB2 LEU 84 2HB LEU 84 9.541 -3.731 -11.588 655 HB3 LEU 84 1HB LEU 84 8.281 -3.861 -12.809 656 HG LEU 84 HG LEU 84 8.204 -2.093 -10.326 657 HD11 LEU 84 1HD1 LEU 84 8.383 -1.319 -13.258 658 HD12 LEU 84 2HD1 LEU 84 9.692 -1.228 -12.074 659 HD13 LEU 84 3HD1 LEU 84 8.267 -0.213 -11.885 660 HD21 LEU 84 3HD2 LEU 84 6.067 -1.211 -11.179 661 HD22 LEU 84 1HD2 LEU 84 5.948 -2.931 -10.811 662 HD23 LEU 84 2HD2 LEU 84 6.086 -2.397 -12.489 663 H GLU 85 H GLU 85 7.499 -7.152 -9.868 664 HA GLU 85 HA GLU 85 8.397 -9.222 -9.933 665 HB2 GLU 85 2HB GLU 85 7.890 -8.850 -12.919 666 HB3 GLU 85 1HB GLU 85 8.299 -10.390 -12.192 667 HG2 GLU 85 2HG GLU 85 5.945 -10.367 -12.589 668 HG3 GLU 85 1HG GLU 85 6.189 -10.265 -10.846 669 H HIS 86 H HIS 86 10.100 -10.121 -12.446 670 HA HIS 86 HA HIS 86 12.447 -8.338 -12.085 671 HB2 HIS 86 2HB HIS 86 12.416 -11.312 -12.792 672 HB3 HIS 86 1HB HIS 86 13.854 -10.296 -12.835 673 HD1 HIS 86 HD1 HIS 86 14.385 -9.113 -10.382 674 HD2 HIS 86 HD2 HIS 86 12.087 -12.573 -10.399 675 HE1 HIS 86 HE1 HIS 86 14.512 -10.018 -8.041 676 HE2 HIS 86 HE2 HIS 86 12.912 -11.955 -8.034 677 H HIS 87 H HIS 87 10.502 -7.454 -13.691 678 HA HIS 87 HA HIS 87 11.141 -8.021 -16.485 679 HB2 HIS 87 2HB HIS 87 9.324 -5.987 -15.122 680 HB3 HIS 87 1HB HIS 87 9.594 -5.981 -16.862 681 HD1 HIS 87 HD1 HIS 87 8.723 -8.109 -18.196 682 HD2 HIS 87 HD2 HIS 87 7.461 -7.835 -14.242 683 HE1 HIS 87 HE1 HIS 87 6.789 -9.702 -17.989 684 HE2 HIS 87 HE2 HIS 87 6.171 -9.648 -15.552 685 H HIS 88 H HIS 88 11.226 -5.495 -17.642 686 HA HIS 88 HA HIS 88 13.914 -4.656 -17.104 687 HB2 HIS 88 2HB HIS 88 13.594 -2.991 -18.901 688 HB3 HIS 88 1HB HIS 88 13.067 -4.586 -19.409 689 HD1 HIS 88 HD1 HIS 88 11.930 -1.103 -19.082 690 HD2 HIS 88 HD2 HIS 88 10.163 -4.827 -19.633 691 HE1 HIS 88 HE1 HIS 88 9.600 -0.633 -19.904 692 HE2 HIS 88 HE2 HIS 88 8.589 -2.896 -20.310 693 H HIS 89 H HIS 89 13.769 -4.167 -14.921 694 HA HIS 89 HA HIS 89 12.374 -1.698 -14.074 695 HB2 HIS 89 2HB HIS 89 12.029 -3.931 -12.853 696 HB3 HIS 89 1HB HIS 89 13.715 -3.856 -12.358 697 HD1 HIS 89 HD1 HIS 89 12.438 -4.026 -9.946 698 HD2 HIS 89 HD2 HIS 89 12.123 -0.391 -11.957 699 HE1 HIS 89 HE1 HIS 89 11.727 -2.349 -8.214 700 HE2 HIS 89 HE2 HIS 89 11.751 -0.142 -9.410 701 H HIS 90 H HIS 90 14.886 -1.959 -15.710 702 HA HIS 90 HA HIS 90 16.918 -1.056 -16.043 703 HB2 HIS 90 2HB HIS 90 16.271 0.648 -13.605 704 HB3 HIS 90 1HB HIS 90 17.602 0.957 -14.720 705 HD1 HIS 90 HD1 HIS 90 17.001 1.960 -17.039 706 HD2 HIS 90 HD2 HIS 90 13.699 1.318 -14.591 707 HE1 HIS 90 HE1 HIS 90 15.080 3.117 -18.177 708 HE2 HIS 90 HE2 HIS 90 13.111 2.769 -16.645 709 H HIS 91 H HIS 91 16.355 -3.185 -13.848 710 HA HIS 91 HA HIS 91 18.870 -4.129 -13.267 711 HB2 HIS 91 2HB HIS 91 19.151 -2.099 -11.827 712 HB3 HIS 91 1HB HIS 91 17.698 -2.525 -10.933 713 HD1 HIS 91 HD1 HIS 91 21.218 -3.788 -11.559 714 HD2 HIS 91 HD2 HIS 91 18.136 -4.249 -8.798 715 HE1 HIS 91 HE1 HIS 91 22.198 -5.127 -9.671 716 HE2 HIS 91 HE2 HIS 91 20.268 -5.557 -8.118 Start of MODEL 3 1 H1 MET 1 1H MET 1 13.402 2.163 -5.957 2 H2 MET 1 2H MET 1 13.048 3.809 -5.848 3 H3 MET 1 3H MET 1 11.990 2.770 -6.656 4 HA MET 1 HA MET 1 12.610 2.723 -3.767 5 HB2 MET 1 2HB MET 1 10.024 3.482 -5.192 6 HB3 MET 1 1HB MET 1 10.253 3.418 -3.450 7 HG2 MET 1 2HG MET 1 11.833 5.281 -3.571 8 HG3 MET 1 1HG MET 1 11.659 5.336 -5.325 9 HE1 MET 1 3HE MET 1 8.397 4.736 -5.531 10 HE2 MET 1 1HE MET 1 9.284 5.883 -6.538 11 HE3 MET 1 2HE MET 1 7.849 6.407 -5.657 12 H LYS 2 H LYS 2 12.416 0.741 -2.942 13 HA LYS 2 HA LYS 2 10.298 -1.079 -3.933 14 HB2 LYS 2 2HB LYS 2 13.072 -1.907 -2.938 15 HB3 LYS 2 1HB LYS 2 11.777 -3.015 -3.377 16 HG2 LYS 2 2HG LYS 2 11.881 -2.084 -5.725 17 HG3 LYS 2 1HG LYS 2 13.303 -1.164 -5.233 18 HD2 LYS 2 2HD LYS 2 13.040 -4.199 -5.327 19 HD3 LYS 2 1HD LYS 2 14.009 -3.190 -6.401 20 HE2 LYS 2 2HE LYS 2 14.472 -3.612 -3.433 21 HE3 LYS 2 1HE LYS 2 15.435 -4.286 -4.744 22 HZ1 LYS 2 3HZ LYS 2 15.141 -1.389 -4.159 23 HZ2 LYS 2 1HZ LYS 2 16.123 -2.066 -5.356 24 HZ3 LYS 2 2HZ LYS 2 16.463 -2.339 -3.724 25 H ILE 3 H ILE 3 10.097 -2.898 -2.029 26 HA ILE 3 HA ILE 3 9.461 -1.570 0.459 27 HB ILE 3 HB ILE 3 9.605 -4.574 -0.120 28 HG12 ILE 3 2HG1 ILE 3 7.163 -2.734 -0.167 29 HG13 ILE 3 1HG1 ILE 3 7.952 -3.403 -1.587 30 HG21 ILE 3 1HG2 ILE 3 8.263 -3.115 2.199 31 HG22 ILE 3 2HG2 ILE 3 9.740 -4.075 2.297 32 HG23 ILE 3 3HG2 ILE 3 8.208 -4.856 1.908 33 HD11 ILE 3 3HD1 ILE 3 5.916 -4.597 -1.091 34 HD12 ILE 3 1HD1 ILE 3 6.486 -4.966 0.536 35 HD13 ILE 3 2HD1 ILE 3 7.303 -5.662 -0.865 36 H ILE 4 H ILE 4 11.143 -0.852 1.650 37 HA ILE 4 HA ILE 4 13.733 -2.176 1.728 38 HB ILE 4 HB ILE 4 12.615 0.431 2.782 39 HG12 ILE 4 2HG1 ILE 4 14.563 1.437 1.680 40 HG13 ILE 4 1HG1 ILE 4 15.244 -0.144 1.357 41 HG21 ILE 4 1HG2 ILE 4 14.643 0.939 4.100 42 HG22 ILE 4 2HG2 ILE 4 15.188 -0.728 3.900 43 HG23 ILE 4 3HG2 ILE 4 13.709 -0.384 4.800 44 HD11 ILE 4 3HD1 ILE 4 13.437 -0.607 -0.210 45 HD12 ILE 4 1HD1 ILE 4 14.309 0.867 -0.626 46 HD13 ILE 4 2HD1 ILE 4 12.728 0.971 0.145 47 H SER 5 H SER 5 11.149 -1.373 4.049 48 HA SER 5 HA SER 5 11.331 -3.922 5.358 49 HB2 SER 5 2HB SER 5 11.878 -3.012 7.640 50 HB3 SER 5 1HB SER 5 13.221 -2.845 6.507 51 HG SER 5 HG SER 5 12.909 -0.925 7.668 52 H ILE 6 H ILE 6 9.485 -4.391 6.539 53 HA ILE 6 HA ILE 6 7.318 -2.413 6.659 54 HB ILE 6 HB ILE 6 7.310 -5.288 7.707 55 HG12 ILE 6 2HG1 ILE 6 6.256 -4.328 5.002 56 HG13 ILE 6 1HG1 ILE 6 7.752 -5.227 5.224 57 HG21 ILE 6 1HG2 ILE 6 4.840 -5.063 7.635 58 HG22 ILE 6 2HG2 ILE 6 5.004 -3.396 7.081 59 HG23 ILE 6 3HG2 ILE 6 5.567 -3.850 8.691 60 HD11 ILE 6 3HD1 ILE 6 6.470 -7.152 6.050 61 HD12 ILE 6 1HD1 ILE 6 5.959 -6.661 4.434 62 HD13 ILE 6 2HD1 ILE 6 4.972 -6.243 5.832 63 H SER 7 H SER 7 7.859 -0.952 8.196 64 HA SER 7 HA SER 7 9.254 -1.679 10.635 65 HB2 SER 7 2HB SER 7 9.133 0.886 10.959 66 HB3 SER 7 1HB SER 7 10.072 0.286 9.592 67 HG SER 7 HG SER 7 7.354 0.881 9.223 68 H GLU 8 H GLU 8 8.184 0.303 12.390 69 HA GLU 8 HA GLU 8 6.551 -1.401 13.858 70 HB2 GLU 8 2HB GLU 8 6.853 1.591 14.269 71 HB3 GLU 8 1HB GLU 8 6.343 0.425 15.471 72 HG2 GLU 8 2HG GLU 8 9.086 0.545 14.202 73 HG3 GLU 8 1HG GLU 8 8.667 1.151 15.803 74 H THR 9 H THR 9 4.483 -1.166 14.667 75 HA THR 9 HA THR 9 2.510 0.637 13.582 76 HB THR 9 HB THR 9 2.383 -0.924 11.781 77 HG1 THR 9 HG1 THR 9 0.340 -0.390 12.428 78 HG21 THR 9 3HG2 THR 9 3.599 -2.834 12.714 79 HG22 THR 9 1HG2 THR 9 2.060 -3.363 12.035 80 HG23 THR 9 2HG2 THR 9 2.243 -3.200 13.784 81 HA PRO 10 HA PRO 10 2.089 -0.974 18.017 82 HB2 PRO 10 2HB PRO 10 2.212 1.426 19.320 83 HB3 PRO 10 1HB PRO 10 3.671 0.546 18.817 84 HG2 PRO 10 2HG PRO 10 2.304 2.838 17.444 85 HG3 PRO 10 1HG PRO 10 4.035 2.601 17.781 86 HD2 PRO 10 2HD PRO 10 2.970 2.052 15.348 87 HD3 PRO 10 1HD PRO 10 4.315 1.105 16.018 88 H ASN 11 H ASN 11 0.374 1.225 15.992 89 HA ASN 11 HA ASN 11 -1.982 1.453 17.702 90 HB2 ASN 11 2HB ASN 11 -1.346 3.337 16.196 91 HB3 ASN 11 1HB ASN 11 -1.569 2.301 14.794 92 HD21 ASN 11 1HD2 ASN 11 -3.196 4.028 17.379 93 HD22 ASN 11 2HD2 ASN 11 -4.777 3.978 16.681 94 H HIS 12 H HIS 12 -0.776 -0.510 15.078 95 HA HIS 12 HA HIS 12 -1.489 -2.284 13.892 96 HB2 HIS 12 2HB HIS 12 -2.316 -3.106 16.185 97 HB3 HIS 12 1HB HIS 12 -3.912 -2.531 15.732 98 HD1 HIS 12 HD1 HIS 12 -1.376 -5.183 14.893 99 HD2 HIS 12 HD2 HIS 12 -5.314 -4.252 13.989 100 HE1 HIS 12 HE1 HIS 12 -2.288 -7.197 13.727 101 HE2 HIS 12 HE2 HIS 12 -4.727 -6.709 13.429 102 H ASN 13 H ASN 13 -3.339 -3.011 12.414 103 HA ASN 13 HA ASN 13 -4.840 -2.673 10.781 104 HB2 ASN 13 2HB ASN 13 -5.631 -0.176 12.322 105 HB3 ASN 13 1HB ASN 13 -6.307 -0.531 10.735 106 HD21 ASN 13 1HD2 ASN 13 -8.397 -0.674 11.647 107 HD22 ASN 13 2HD2 ASN 13 -8.897 -2.038 12.579 108 H THR 14 H THR 14 -3.112 0.375 11.506 109 HA THR 14 HA THR 14 -2.440 0.593 8.639 110 HB THR 14 HB THR 14 -3.490 2.607 9.281 111 HG1 THR 14 HG1 THR 14 -1.957 3.583 8.261 112 HG21 THR 14 3HG2 THR 14 -1.677 2.738 11.739 113 HG22 THR 14 1HG2 THR 14 -3.407 2.382 11.740 114 HG23 THR 14 2HG2 THR 14 -2.835 3.976 11.245 115 H MET 15 H MET 15 -0.575 -0.321 8.119 116 HA MET 15 HA MET 15 1.677 -0.328 10.035 117 HB2 MET 15 2HB MET 15 1.364 -1.886 7.435 118 HB3 MET 15 1HB MET 15 2.754 -1.971 8.507 119 HG2 MET 15 2HG MET 15 1.123 -2.771 10.310 120 HG3 MET 15 1HG MET 15 -0.037 -2.979 9.000 121 HE1 MET 15 3HE MET 15 2.042 -5.567 6.729 122 HE2 MET 15 1HE MET 15 2.338 -3.829 6.689 123 HE3 MET 15 2HE MET 15 0.684 -4.442 6.736 124 H LYS 16 H LYS 16 3.584 0.569 9.596 125 HA LYS 16 HA LYS 16 3.767 2.607 7.504 126 HB2 LYS 16 2HB LYS 16 4.399 3.275 9.756 127 HB3 LYS 16 1HB LYS 16 5.487 1.903 9.919 128 HG2 LYS 16 2HG LYS 16 6.924 2.903 8.120 129 HG3 LYS 16 1HG LYS 16 5.877 4.325 8.127 130 HD2 LYS 16 2HD LYS 16 6.562 4.961 10.321 131 HD3 LYS 16 1HD LYS 16 7.217 3.360 10.679 132 HE2 LYS 16 2HE LYS 16 9.043 4.927 10.336 133 HE3 LYS 16 1HE LYS 16 9.026 3.760 9.016 134 HZ1 LYS 16 3HZ LYS 16 8.043 5.366 7.599 135 HZ2 LYS 16 1HZ LYS 16 9.390 6.077 8.319 136 HZ3 LYS 16 2HZ LYS 16 7.836 6.469 8.858 137 H ILE 17 H ILE 17 4.453 1.889 5.577 138 HA ILE 17 HA ILE 17 6.489 -0.204 5.309 139 HB ILE 17 HB ILE 17 4.942 1.332 3.165 140 HG12 ILE 17 2HG1 ILE 17 4.574 -1.527 4.174 141 HG13 ILE 17 1HG1 ILE 17 3.507 -0.177 4.529 142 HG21 ILE 17 1HG2 ILE 17 5.831 -0.338 1.554 143 HG22 ILE 17 2HG2 ILE 17 6.806 -1.060 2.836 144 HG23 ILE 17 3HG2 ILE 17 7.132 0.590 2.303 145 HD11 ILE 17 3HD1 ILE 17 2.559 -1.611 2.828 146 HD12 ILE 17 1HD1 ILE 17 3.987 -1.406 1.815 147 HD13 ILE 17 2HD1 ILE 17 2.930 -0.030 2.140 148 H THR 18 H THR 18 8.481 0.491 5.592 149 HA THR 18 HA THR 18 9.427 3.160 5.054 150 HB THR 18 HB THR 18 10.920 0.598 5.790 151 HG1 THR 18 HG1 THR 18 9.520 1.321 7.404 152 HG21 THR 18 3HG2 THR 18 11.954 3.460 5.877 153 HG22 THR 18 1HG2 THR 18 12.467 2.226 4.721 154 HG23 THR 18 2HG2 THR 18 12.811 2.023 6.439 155 H LEU 19 H LEU 19 10.037 3.888 3.117 156 HA LEU 19 HA LEU 19 10.755 2.032 0.935 157 HB2 LEU 19 2HB LEU 19 9.976 4.977 0.849 158 HB3 LEU 19 1HB LEU 19 10.352 3.988 -0.552 159 HG LEU 19 HG LEU 19 7.952 3.649 1.293 160 HD11 LEU 19 1HD1 LEU 19 7.731 5.567 -0.210 161 HD12 LEU 19 2HD1 LEU 19 6.619 4.283 -0.677 162 HD13 LEU 19 3HD1 LEU 19 8.097 4.545 -1.605 163 HD21 LEU 19 3HD2 LEU 19 8.710 1.987 -1.140 164 HD22 LEU 19 1HD2 LEU 19 7.179 1.889 -0.265 165 HD23 LEU 19 2HD2 LEU 19 8.681 1.435 0.536 166 H SER 20 H SER 20 12.309 3.523 -0.662 167 HA SER 20 HA SER 20 14.846 3.723 0.656 168 HB2 SER 20 2HB SER 20 15.644 4.324 -1.651 169 HB3 SER 20 1HB SER 20 14.683 2.845 -1.607 170 HG SER 20 HG SER 20 13.978 5.396 -2.575 171 H GLU 21 H GLU 21 12.438 5.884 0.932 172 HA GLU 21 HA GLU 21 12.185 8.070 1.423 173 HB2 GLU 21 2HB GLU 21 15.210 7.957 1.752 174 HB3 GLU 21 1HB GLU 21 14.274 9.405 2.105 175 HG2 GLU 21 2HG GLU 21 13.043 8.212 3.846 176 HG3 GLU 21 1HG GLU 21 13.916 6.730 3.470 177 H SER 22 H SER 22 13.354 10.382 0.842 178 HA SER 22 HA SER 22 14.353 10.550 -1.881 179 HB2 SER 22 2HB SER 22 11.815 10.600 -2.081 180 HB3 SER 22 1HB SER 22 11.806 12.036 -1.062 181 HG SER 22 HG SER 22 12.304 11.798 -3.710 182 H ARG 23 H ARG 23 14.101 13.391 -2.068 183 HA ARG 23 HA ARG 23 16.203 14.286 -0.360 184 HB2 ARG 23 2HB ARG 23 14.352 15.959 -2.114 185 HB3 ARG 23 1HB ARG 23 15.939 16.437 -1.518 186 HG2 ARG 23 2HG ARG 23 15.404 14.183 -3.476 187 HG3 ARG 23 1HG ARG 23 15.953 15.800 -3.911 188 HD2 ARG 23 2HD ARG 23 18.064 15.445 -2.742 189 HD3 ARG 23 1HD ARG 23 17.496 13.887 -2.130 190 HE ARG 23 HE ARG 23 17.906 12.921 -4.174 191 HH11 ARG 23 1HH1 ARG 23 18.235 16.415 -4.565 192 HH12 ARG 23 2HH1 ARG 23 18.930 16.273 -6.150 193 HH21 ARG 23 1HH2 ARG 23 18.811 12.790 -6.251 194 HH22 ARG 23 2HH2 ARG 23 19.254 14.248 -7.094 195 H GLU 24 H GLU 24 15.556 14.098 1.753 196 HA GLU 24 HA GLU 24 14.613 14.457 3.749 197 HB2 GLU 24 2HB GLU 24 13.509 17.006 2.510 198 HB3 GLU 24 1HB GLU 24 13.442 16.625 4.227 199 HG2 GLU 24 2HG GLU 24 15.909 16.621 4.320 200 HG3 GLU 24 1HG GLU 24 15.971 17.010 2.602 201 H GLY 25 H GLY 25 12.011 15.764 1.710 202 HA2 GLY 25 2HA GLY 25 10.336 13.389 2.158 203 HA3 GLY 25 1HA GLY 25 9.735 14.937 2.743 204 H MET 26 H MET 26 8.700 13.136 0.654 205 HA MET 26 HA MET 26 8.467 15.061 -1.575 206 HB2 MET 26 2HB MET 26 8.394 13.168 -3.198 207 HB3 MET 26 1HB MET 26 9.943 13.246 -2.371 208 HG2 MET 26 2HG MET 26 9.283 11.395 -0.912 209 HG3 MET 26 1HG MET 26 7.698 11.330 -1.685 210 HE1 MET 26 3HE MET 26 9.658 8.054 -2.853 211 HE2 MET 26 1HE MET 26 8.229 8.638 -2.004 212 HE3 MET 26 2HE MET 26 9.831 8.878 -1.305 213 H THR 27 H THR 27 6.445 15.592 -1.922 214 HA THR 27 HA THR 27 4.233 15.821 -1.824 215 HB THR 27 HB THR 27 4.454 14.512 -3.842 216 HG1 THR 27 HG1 THR 27 2.187 13.229 -3.217 217 HG21 THR 27 3HG2 THR 27 4.057 12.100 -3.971 218 HG22 THR 27 1HG2 THR 27 3.942 12.005 -2.213 219 HG23 THR 27 2HG2 THR 27 5.471 12.448 -2.976 220 H SER 28 H SER 28 1.978 14.658 -1.280 221 HA SER 28 HA SER 28 1.975 13.153 1.193 222 HB2 SER 28 2HB SER 28 0.647 14.998 2.404 223 HB3 SER 28 1HB SER 28 2.372 15.296 2.197 224 HG SER 28 HG SER 28 1.686 16.479 0.224 225 H ASP 29 H ASP 29 0.643 11.655 0.402 226 HA ASP 29 HA ASP 29 -1.843 12.413 -1.022 227 HB2 ASP 29 2HB ASP 29 -0.301 9.791 -1.304 228 HB3 ASP 29 1HB ASP 29 -1.628 10.367 -2.307 229 H THR 30 H THR 30 -3.662 11.009 -0.713 230 HA THR 30 HA THR 30 -3.390 8.712 1.093 231 HB THR 30 HB THR 30 -5.881 10.498 1.218 232 HG1 THR 30 HG1 THR 30 -3.839 11.427 2.134 233 HG21 THR 30 3HG2 THR 30 -4.920 8.229 3.018 234 HG22 THR 30 1HG2 THR 30 -6.230 8.123 1.835 235 HG23 THR 30 2HG2 THR 30 -6.397 9.170 3.244 236 H TYR 31 H TYR 31 -3.438 7.313 -0.586 237 HA TYR 31 HA TYR 31 -5.279 7.539 -2.818 238 HB2 TYR 31 2HB TYR 31 -3.460 5.196 -2.080 239 HB3 TYR 31 1HB TYR 31 -4.191 5.509 -3.644 240 HD1 TYR 31 HD1 TYR 31 -3.492 8.010 -4.597 241 HD2 TYR 31 HD2 TYR 31 -1.154 5.609 -1.956 242 HE1 TYR 31 HE1 TYR 31 -1.456 9.150 -5.357 243 HE2 TYR 31 HE2 TYR 31 0.886 6.747 -2.714 244 HH TYR 31 HH TYR 31 0.850 9.605 -4.502 245 H THR 32 H THR 32 -7.397 7.001 -2.423 246 HA THR 32 HA THR 32 -8.003 4.615 -0.760 247 HB THR 32 HB THR 32 -10.216 5.783 -0.224 248 HG1 THR 32 HG1 THR 32 -10.089 8.142 -0.462 249 HG21 THR 32 3HG2 THR 32 -9.276 7.238 1.536 250 HG22 THR 32 1HG2 THR 32 -7.694 7.172 0.755 251 HG23 THR 32 2HG2 THR 32 -8.399 5.710 1.446 252 H LYS 33 H LYS 33 -9.840 6.716 -3.001 253 HA LYS 33 HA LYS 33 -10.701 4.309 -4.514 254 HB2 LYS 33 2HB LYS 33 -12.695 5.697 -5.187 255 HB3 LYS 33 1HB LYS 33 -12.619 5.369 -3.463 256 HG2 LYS 33 2HG LYS 33 -11.902 7.622 -2.986 257 HG3 LYS 33 1HG LYS 33 -11.692 7.974 -4.702 258 HD2 LYS 33 2HD LYS 33 -14.137 7.733 -5.051 259 HD3 LYS 33 1HD LYS 33 -14.346 7.376 -3.333 260 HE2 LYS 33 2HE LYS 33 -14.914 9.729 -3.885 261 HE3 LYS 33 1HE LYS 33 -13.577 9.625 -2.740 262 HZ1 LYS 33 3HZ LYS 33 -12.042 10.011 -4.583 263 HZ2 LYS 33 1HZ LYS 33 -13.147 11.280 -4.432 264 HZ3 LYS 33 2HZ LYS 33 -13.334 10.134 -5.660 265 H VAL 34 H VAL 34 -8.265 5.192 -5.088 266 HA VAL 34 HA VAL 34 -6.811 5.801 -6.667 267 HB VAL 34 HB VAL 34 -9.266 5.980 -8.459 268 HG11 VAL 34 1HG1 VAL 34 -7.528 7.432 -9.452 269 HG12 VAL 34 2HG1 VAL 34 -7.727 5.969 -10.415 270 HG13 VAL 34 3HG1 VAL 34 -6.345 6.125 -9.328 271 HG21 VAL 34 3HG2 VAL 34 -8.744 3.715 -7.635 272 HG22 VAL 34 1HG2 VAL 34 -7.092 3.864 -8.243 273 HG23 VAL 34 2HG2 VAL 34 -8.451 3.830 -9.372 274 H ASP 35 H ASP 35 -5.714 7.551 -6.435 275 HA ASP 35 HA ASP 35 -6.526 10.200 -6.127 276 HB2 ASP 35 2HB ASP 35 -4.330 9.590 -5.424 277 HB3 ASP 35 1HB ASP 35 -3.932 8.869 -6.972 278 H ASP 36 H ASP 36 -4.638 9.224 -8.984 279 HA ASP 36 HA ASP 36 -6.269 9.553 -11.136 280 HB2 ASP 36 2HB ASP 36 -6.868 11.845 -10.461 281 HB3 ASP 36 1HB ASP 36 -5.176 12.286 -10.307 282 H SER 37 H SER 37 -3.263 11.207 -10.130 283 HA SER 37 HA SER 37 -1.948 10.484 -12.645 284 HB2 SER 37 2HB SER 37 -1.969 12.853 -11.880 285 HB3 SER 37 1HB SER 37 -1.083 12.394 -10.428 286 HG SER 37 HG SER 37 -0.012 11.733 -12.939 287 H GLN 38 H GLN 38 -2.146 9.159 -9.586 288 HA GLN 38 HA GLN 38 0.435 8.199 -9.050 289 HB2 GLN 38 2HB GLN 38 -0.721 6.453 -7.699 290 HB3 GLN 38 1HB GLN 38 -1.376 8.057 -7.398 291 HG2 GLN 38 2HG GLN 38 -3.318 7.588 -8.749 292 HG3 GLN 38 1HG GLN 38 -2.648 6.042 -9.265 293 HE21 GLN 38 1HE2 GLN 38 -1.699 5.349 -6.552 294 HE22 GLN 38 2HE2 GLN 38 -3.109 4.945 -5.655 295 HA PRO 39 HA PRO 39 1.307 4.978 -12.153 296 HB2 PRO 39 2HB PRO 39 2.124 3.327 -9.746 297 HB3 PRO 39 1HB PRO 39 3.017 3.655 -11.249 298 HG2 PRO 39 2HG PRO 39 3.678 4.910 -9.010 299 HG3 PRO 39 1HG PRO 39 3.685 5.770 -10.567 300 HD2 PRO 39 2HD PRO 39 1.674 5.935 -8.337 301 HD3 PRO 39 1HD PRO 39 2.271 7.205 -9.425 302 H ALA 40 H ALA 40 0.365 3.153 -13.013 303 HA ALA 40 HA ALA 40 -2.200 2.317 -12.303 304 HB1 ALA 40 3HB ALA 40 -1.268 2.053 -14.569 305 HB2 ALA 40 1HB ALA 40 -1.902 0.518 -13.966 306 HB3 ALA 40 2HB ALA 40 -0.160 0.812 -13.983 307 H PHE 41 H PHE 41 0.944 0.941 -11.458 308 HA PHE 41 HA PHE 41 0.078 -1.474 -10.299 309 HB2 PHE 41 2HB PHE 41 2.522 0.218 -9.674 310 HB3 PHE 41 1HB PHE 41 2.271 -1.418 -9.080 311 HD1 PHE 41 HD1 PHE 41 1.337 -2.970 -11.277 312 HD2 PHE 41 HD2 PHE 41 4.188 0.209 -11.326 313 HE1 PHE 41 HE1 PHE 41 2.358 -3.917 -13.295 314 HE2 PHE 41 HE2 PHE 41 5.199 -0.741 -13.353 315 HZ PHE 41 HZ PHE 41 4.287 -2.802 -14.339 316 H ILE 42 H ILE 42 0.315 1.792 -8.916 317 HA ILE 42 HA ILE 42 -0.258 0.930 -6.211 318 HB ILE 42 HB ILE 42 -0.483 3.779 -7.291 319 HG12 ILE 42 2HG1 ILE 42 1.777 2.910 -7.823 320 HG13 ILE 42 1HG1 ILE 42 1.868 4.134 -6.567 321 HG21 ILE 42 1HG2 ILE 42 -1.500 3.468 -5.067 322 HG22 ILE 42 2HG2 ILE 42 -0.037 4.447 -4.937 323 HG23 ILE 42 3HG2 ILE 42 -0.005 2.746 -4.462 324 HD11 ILE 42 3HD1 ILE 42 2.046 1.148 -6.145 325 HD12 ILE 42 1HD1 ILE 42 2.136 2.372 -4.877 326 HD13 ILE 42 2HD1 ILE 42 3.386 2.293 -6.119 327 H ASN 43 H ASN 43 -2.105 1.840 -9.046 328 HA ASN 43 HA ASN 43 -4.669 2.211 -7.802 329 HB2 ASN 43 2HB ASN 43 -3.928 1.367 -10.641 330 HB3 ASN 43 1HB ASN 43 -5.556 1.747 -10.115 331 HD21 ASN 43 1HD2 ASN 43 -5.091 4.021 -8.576 332 HD22 ASN 43 2HD2 ASN 43 -4.569 5.280 -9.632 333 H ASP 44 H ASP 44 -2.811 -0.511 -9.053 334 HA ASP 44 HA ASP 44 -4.822 -2.511 -8.953 335 HB2 ASP 44 2HB ASP 44 -2.735 -2.749 -10.280 336 HB3 ASP 44 1HB ASP 44 -1.783 -2.786 -8.800 337 H ILE 45 H ILE 45 -2.395 -1.375 -6.613 338 HA ILE 45 HA ILE 45 -2.950 -3.277 -4.574 339 HB ILE 45 HB ILE 45 -1.893 -0.455 -4.071 340 HG12 ILE 45 2HG1 ILE 45 -0.241 -2.941 -4.726 341 HG13 ILE 45 1HG1 ILE 45 -0.521 -1.606 -5.835 342 HG21 ILE 45 1HG2 ILE 45 -2.552 -1.700 -2.039 343 HG22 ILE 45 2HG2 ILE 45 -0.805 -1.481 -2.091 344 HG23 ILE 45 3HG2 ILE 45 -1.510 -3.046 -2.506 345 HD11 ILE 45 3HD1 ILE 45 1.677 -1.452 -4.838 346 HD12 ILE 45 1HD1 ILE 45 0.981 -1.456 -3.219 347 HD13 ILE 45 2HD1 ILE 45 0.683 -0.096 -4.306 348 H LEU 46 H LEU 46 -4.358 -0.126 -5.382 349 HA LEU 46 HA LEU 46 -6.109 0.121 -3.168 350 HB2 LEU 46 2HB LEU 46 -6.286 1.207 -5.990 351 HB3 LEU 46 1HB LEU 46 -7.458 1.611 -4.744 352 HG LEU 46 HG LEU 46 -4.478 2.188 -4.542 353 HD11 LEU 46 1HD1 LEU 46 -6.732 4.129 -5.128 354 HD12 LEU 46 2HD1 LEU 46 -5.526 3.569 -6.289 355 HD13 LEU 46 3HD1 LEU 46 -5.026 4.527 -4.900 356 HD21 LEU 46 3HD2 LEU 46 -5.089 3.522 -2.575 357 HD22 LEU 46 1HD2 LEU 46 -5.552 1.836 -2.360 358 HD23 LEU 46 2HD2 LEU 46 -6.779 3.043 -2.754 359 H LYS 47 H LYS 47 -6.406 -1.591 -6.210 360 HA LYS 47 HA LYS 47 -9.159 -2.354 -5.915 361 HB2 LYS 47 2HB LYS 47 -6.932 -3.493 -7.653 362 HB3 LYS 47 1HB LYS 47 -8.644 -3.891 -7.824 363 HG2 LYS 47 2HG LYS 47 -9.188 -1.639 -8.487 364 HG3 LYS 47 1HG LYS 47 -7.575 -1.064 -8.056 365 HD2 LYS 47 2HD LYS 47 -6.631 -2.502 -9.880 366 HD3 LYS 47 1HD LYS 47 -8.280 -2.927 -10.350 367 HE2 LYS 47 2HE LYS 47 -8.758 -0.533 -10.791 368 HE3 LYS 47 1HE LYS 47 -7.101 -0.126 -10.337 369 HZ1 LYS 47 3HZ LYS 47 -6.319 -1.497 -12.177 370 HZ2 LYS 47 1HZ LYS 47 -7.342 -0.262 -12.716 371 HZ3 LYS 47 2HZ LYS 47 -7.912 -1.844 -12.613 372 H VAL 48 H VAL 48 -6.183 -3.505 -4.550 373 HA VAL 48 HA VAL 48 -7.101 -6.081 -3.687 374 HB VAL 48 HB VAL 48 -5.014 -4.283 -2.343 375 HG11 VAL 48 1HG1 VAL 48 -5.483 -7.272 -2.019 376 HG12 VAL 48 2HG1 VAL 48 -5.791 -6.030 -0.804 377 HG13 VAL 48 3HG1 VAL 48 -4.138 -6.367 -1.318 378 HG21 VAL 48 3HG2 VAL 48 -3.317 -5.614 -3.538 379 HG22 VAL 48 1HG2 VAL 48 -4.382 -4.771 -4.666 380 HG23 VAL 48 2HG2 VAL 48 -4.594 -6.499 -4.377 381 H GLU 49 H GLU 49 -9.089 -6.011 -2.820 382 HA GLU 49 HA GLU 49 -10.165 -4.029 -1.116 383 HB2 GLU 49 2HB GLU 49 -11.020 -6.912 -1.578 384 HB3 GLU 49 1HB GLU 49 -12.001 -5.689 -0.773 385 HG2 GLU 49 2HG GLU 49 -12.160 -4.387 -2.810 386 HG3 GLU 49 1HG GLU 49 -11.018 -5.453 -3.632 387 H GLY 50 H GLY 50 -8.717 -3.667 0.513 388 HA2 GLY 50 2HA GLY 50 -8.902 -4.892 2.973 389 HA3 GLY 50 1HA GLY 50 -7.563 -5.698 2.161 390 H VAL 51 H VAL 51 -7.134 -2.903 0.737 391 HA VAL 51 HA VAL 51 -5.107 -2.036 2.629 392 HB VAL 51 HB VAL 51 -4.339 -0.559 0.814 393 HG11 VAL 51 1HG1 VAL 51 -3.489 -2.831 0.888 394 HG12 VAL 51 2HG1 VAL 51 -3.667 -2.316 -0.789 395 HG13 VAL 51 3HG1 VAL 51 -4.854 -3.409 -0.074 396 HG21 VAL 51 3HG2 VAL 51 -6.492 0.040 -0.220 397 HG22 VAL 51 1HG2 VAL 51 -6.700 -1.619 -0.788 398 HG23 VAL 51 2HG2 VAL 51 -5.395 -0.620 -1.432 399 H LYS 52 H LYS 52 -8.205 -0.902 1.598 400 HA LYS 52 HA LYS 52 -9.454 0.932 1.673 401 HB2 LYS 52 2HB LYS 52 -9.679 0.177 3.965 402 HB3 LYS 52 1HB LYS 52 -8.217 1.028 4.423 403 HG2 LYS 52 2HG LYS 52 -9.369 3.192 3.861 404 HG3 LYS 52 1HG LYS 52 -10.851 2.274 3.604 405 HD2 LYS 52 2HD LYS 52 -9.292 2.429 6.216 406 HD3 LYS 52 1HD LYS 52 -10.777 3.311 5.848 407 HE2 LYS 52 2HE LYS 52 -10.469 0.304 6.090 408 HE3 LYS 52 1HE LYS 52 -11.315 1.375 7.206 409 HZ1 LYS 52 3HZ LYS 52 -12.810 1.942 5.300 410 HZ2 LYS 52 1HZ LYS 52 -12.930 0.355 5.859 411 HZ3 LYS 52 2HZ LYS 52 -12.092 0.680 4.435 412 H SER 53 H SER 53 -6.682 2.125 3.507 413 HA SER 53 HA SER 53 -6.601 4.558 1.807 414 HB2 SER 53 2HB SER 53 -6.334 4.430 4.843 415 HB3 SER 53 1HB SER 53 -6.159 5.889 3.863 416 HG SER 53 HG SER 53 -8.470 4.741 3.222 417 H ILE 54 H ILE 54 -4.798 3.930 0.649 418 HA ILE 54 HA ILE 54 -2.273 3.294 1.949 419 HB ILE 54 HB ILE 54 -2.907 3.939 -0.973 420 HG12 ILE 54 2HG1 ILE 54 -2.490 1.243 0.378 421 HG13 ILE 54 1HG1 ILE 54 -4.032 1.874 -0.191 422 HG21 ILE 54 1HG2 ILE 54 -0.364 2.737 0.177 423 HG22 ILE 54 2HG2 ILE 54 -0.528 4.376 -0.452 424 HG23 ILE 54 3HG2 ILE 54 -0.705 2.996 -1.537 425 HD11 ILE 54 3HD1 ILE 54 -1.656 1.127 -1.880 426 HD12 ILE 54 1HD1 ILE 54 -3.144 1.853 -2.495 427 HD13 ILE 54 2HD1 ILE 54 -3.185 0.262 -1.737 428 H PHE 55 H PHE 55 -2.160 5.102 3.302 429 HA PHE 55 HA PHE 55 -2.098 7.814 2.280 430 HB2 PHE 55 2HB PHE 55 -3.014 7.335 4.527 431 HB3 PHE 55 1HB PHE 55 -1.488 6.632 5.037 432 HD1 PHE 55 HD1 PHE 55 -3.071 9.834 3.957 433 HD2 PHE 55 HD2 PHE 55 0.205 8.020 6.003 434 HE1 PHE 55 HE1 PHE 55 -2.360 12.037 4.771 435 HE2 PHE 55 HE2 PHE 55 0.909 10.225 6.818 436 HZ PHE 55 HZ PHE 55 -0.369 12.237 6.204 437 H HIS 56 H HIS 56 -0.252 9.033 1.984 438 HA HIS 56 HA HIS 56 2.398 7.809 2.428 439 HB2 HIS 56 2HB HIS 56 1.874 7.300 0.078 440 HB3 HIS 56 1HB HIS 56 1.427 8.974 -0.231 441 HD1 HIS 56 HD1 HIS 56 3.220 10.200 -1.452 442 HD2 HIS 56 HD2 HIS 56 4.792 7.259 1.039 443 HE1 HIS 56 HE1 HIS 56 5.723 10.335 -1.726 444 HE2 HIS 56 HE2 HIS 56 6.644 8.650 -0.097 445 H VAL 57 H VAL 57 3.791 9.244 3.282 446 HA VAL 57 HA VAL 57 3.782 12.012 2.450 447 HB VAL 57 HB VAL 57 2.138 11.964 4.399 448 HG11 VAL 57 1HG1 VAL 57 2.947 11.723 6.687 449 HG12 VAL 57 2HG1 VAL 57 4.548 11.289 6.085 450 HG13 VAL 57 3HG1 VAL 57 3.171 10.232 5.767 451 HG21 VAL 57 3HG2 VAL 57 3.289 14.063 3.804 452 HG22 VAL 57 1HG2 VAL 57 4.636 13.634 4.864 453 HG23 VAL 57 2HG2 VAL 57 3.040 13.957 5.547 454 H MET 58 H MET 58 5.757 12.928 2.631 455 HA MET 58 HA MET 58 7.950 13.210 2.852 456 HB2 MET 58 2HB MET 58 7.442 13.257 5.263 457 HB3 MET 58 1HB MET 58 7.643 11.511 5.361 458 HG2 MET 58 2HG MET 58 10.016 11.735 4.825 459 HG3 MET 58 1HG MET 58 9.820 13.476 4.612 460 HE1 MET 58 3HE MET 58 11.956 13.199 7.915 461 HE2 MET 58 1HE MET 58 11.913 13.798 6.256 462 HE3 MET 58 2HE MET 58 12.034 12.065 6.568 463 H ASP 59 H ASP 59 7.918 9.869 4.121 464 HA ASP 59 HA ASP 59 9.520 8.972 1.790 465 HB2 ASP 59 2HB ASP 59 10.945 7.675 3.365 466 HB3 ASP 59 1HB ASP 59 11.053 9.408 3.653 467 H PHE 60 H PHE 60 7.172 8.193 4.312 468 HA PHE 60 HA PHE 60 7.267 5.310 3.633 469 HB2 PHE 60 2HB PHE 60 6.341 4.888 5.872 470 HB3 PHE 60 1HB PHE 60 7.812 5.843 5.979 471 HD1 PHE 60 HD1 PHE 60 7.622 8.344 6.390 472 HD2 PHE 60 HD2 PHE 60 4.273 5.717 6.832 473 HE1 PHE 60 HE1 PHE 60 6.450 10.049 7.699 474 HE2 PHE 60 HE2 PHE 60 3.106 7.439 8.147 475 HZ PHE 60 HZ PHE 60 4.187 9.614 8.559 476 H ILE 61 H ILE 61 5.283 4.083 3.924 477 HA ILE 61 HA ILE 61 2.858 5.521 3.017 478 HB ILE 61 HB ILE 61 3.785 2.715 2.248 479 HG12 ILE 61 2HG1 ILE 61 3.486 5.231 0.538 480 HG13 ILE 61 1HG1 ILE 61 5.010 4.503 1.028 481 HG21 ILE 61 1HG2 ILE 61 1.246 4.186 1.449 482 HG22 ILE 61 2HG2 ILE 61 1.344 2.786 2.518 483 HG23 ILE 61 3HG2 ILE 61 1.768 2.621 0.815 484 HD11 ILE 61 3HD1 ILE 61 2.961 3.277 -0.818 485 HD12 ILE 61 1HD1 ILE 61 4.467 2.507 -0.310 486 HD13 ILE 61 2HD1 ILE 61 4.510 3.982 -1.274 487 H SER 62 H SER 62 1.530 5.601 4.730 488 HA SER 62 HA SER 62 1.252 3.433 6.654 489 HB2 SER 62 2HB SER 62 -0.266 6.067 6.368 490 HB3 SER 62 1HB SER 62 -0.418 4.941 7.719 491 HG SER 62 HG SER 62 1.196 6.911 7.643 492 H VAL 63 H VAL 63 0.384 1.672 5.456 493 HA VAL 63 HA VAL 63 -2.093 2.011 3.947 494 HB VAL 63 HB VAL 63 -0.632 -0.588 4.628 495 HG11 VAL 63 1HG1 VAL 63 -2.831 -0.047 2.588 496 HG12 VAL 63 2HG1 VAL 63 -3.006 -0.967 4.085 497 HG13 VAL 63 3HG1 VAL 63 -1.973 -1.579 2.794 498 HG21 VAL 63 3HG2 VAL 63 0.793 0.874 3.242 499 HG22 VAL 63 1HG2 VAL 63 -0.513 1.057 2.067 500 HG23 VAL 63 2HG2 VAL 63 0.240 -0.521 2.316 501 H ASP 64 H ASP 64 -3.712 2.531 5.243 502 HA ASP 64 HA ASP 64 -4.305 1.291 7.811 503 HB2 ASP 64 2HB ASP 64 -5.843 3.333 6.178 504 HB3 ASP 64 1HB ASP 64 -6.315 2.802 7.771 505 H LYS 65 H LYS 65 -4.959 -0.851 7.447 506 HA LYS 65 HA LYS 65 -6.363 -1.687 5.141 507 HB2 LYS 65 2HB LYS 65 -6.488 -3.884 6.145 508 HB3 LYS 65 1HB LYS 65 -4.894 -3.207 6.436 509 HG2 LYS 65 2HG LYS 65 -5.412 -2.798 8.760 510 HG3 LYS 65 1HG LYS 65 -7.106 -3.225 8.512 511 HD2 LYS 65 2HD LYS 65 -6.462 -5.542 7.972 512 HD3 LYS 65 1HD LYS 65 -4.761 -5.133 8.166 513 HE2 LYS 65 2HE LYS 65 -5.071 -4.757 10.538 514 HE3 LYS 65 1HE LYS 65 -6.822 -4.933 10.381 515 HZ1 LYS 65 3HZ LYS 65 -5.793 -6.942 11.236 516 HZ2 LYS 65 1HZ LYS 65 -4.830 -7.074 9.857 517 HZ3 LYS 65 2HZ LYS 65 -6.510 -7.233 9.736 518 H GLU 66 H GLU 66 -8.415 -3.147 5.430 519 HA GLU 66 HA GLU 66 -10.670 -1.569 6.130 520 HB2 GLU 66 2HB GLU 66 -10.386 -4.538 5.546 521 HB3 GLU 66 1HB GLU 66 -11.942 -3.783 5.836 522 HG2 GLU 66 2HG GLU 66 -10.052 -2.980 3.605 523 HG3 GLU 66 1HG GLU 66 -11.392 -4.113 3.422 524 H ASN 67 H ASN 67 -12.498 -2.882 7.523 525 HA ASN 67 HA ASN 67 -11.861 -2.448 10.237 526 HB2 ASN 67 2HB ASN 67 -14.097 -3.352 10.758 527 HB3 ASN 67 1HB ASN 67 -14.178 -2.274 9.371 528 HD21 ASN 67 1HD2 ASN 67 -14.629 -3.161 7.313 529 HD22 ASN 67 2HD2 ASN 67 -15.252 -4.760 7.113 530 H ASP 68 H ASP 68 -11.633 -5.309 8.262 531 HA ASP 68 HA ASP 68 -10.338 -6.728 10.508 532 HB2 ASP 68 2HB ASP 68 -12.564 -7.754 10.176 533 HB3 ASP 68 1HB ASP 68 -12.248 -7.944 8.456 534 H ALA 69 H ALA 69 -10.869 -6.889 6.967 535 HA ALA 69 HA ALA 69 -9.601 -7.491 5.197 536 HB1 ALA 69 3HB ALA 69 -8.746 -5.218 5.603 537 HB2 ALA 69 1HB ALA 69 -7.501 -6.258 4.915 538 HB3 ALA 69 2HB ALA 69 -7.481 -5.874 6.633 539 H ASN 70 H ASN 70 -6.885 -8.074 4.792 540 HA ASN 70 HA ASN 70 -5.927 -9.971 6.761 541 HB2 ASN 70 2HB ASN 70 -7.622 -11.251 5.348 542 HB3 ASN 70 1HB ASN 70 -6.579 -10.995 3.956 543 HD21 ASN 70 1HD2 ASN 70 -7.464 -13.475 5.262 544 HD22 ASN 70 2HD2 ASN 70 -6.013 -14.331 5.652 545 H TRP 71 H TRP 71 -3.832 -9.381 6.903 546 HA TRP 71 HA TRP 71 -2.438 -7.921 4.887 547 HB2 TRP 71 2HB TRP 71 -1.531 -9.163 7.499 548 HB3 TRP 71 1HB TRP 71 -0.412 -8.324 6.433 549 HD1 TRP 71 HD1 TRP 71 -2.155 -7.596 9.477 550 HE1 TRP 71 HE1 TRP 71 -2.552 -5.068 9.796 551 HE3 TRP 71 HE3 TRP 71 -1.440 -6.032 4.653 552 HZ2 TRP 71 HZ2 TRP 71 -2.539 -2.747 8.220 553 HZ3 TRP 71 HZ3 TRP 71 -1.657 -3.641 4.148 554 HH2 TRP 71 HH2 TRP 71 -2.200 -2.030 5.896 555 H GLU 72 H GLU 72 -2.632 -11.346 5.659 556 HA GLU 72 HA GLU 72 -0.346 -12.198 4.159 557 HB2 GLU 72 2HB GLU 72 -1.498 -13.586 5.936 558 HB3 GLU 72 1HB GLU 72 -2.837 -13.839 4.822 559 HG2 GLU 72 2HG GLU 72 -1.343 -15.020 3.269 560 HG3 GLU 72 1HG GLU 72 0.027 -14.716 4.328 561 H THR 73 H THR 73 -3.549 -11.240 3.276 562 HA THR 73 HA THR 73 -3.403 -12.262 0.554 563 HB THR 73 HB THR 73 -5.396 -10.300 1.788 564 HG1 THR 73 HG1 THR 73 -5.070 -13.023 2.049 565 HG21 THR 73 3HG2 THR 73 -5.434 -10.284 -0.688 566 HG22 THR 73 1HG2 THR 73 -6.897 -11.029 -0.038 567 HG23 THR 73 2HG2 THR 73 -5.613 -12.040 -0.703 568 H VAL 74 H VAL 74 -3.110 -9.150 2.258 569 HA VAL 74 HA VAL 74 -3.051 -7.471 -0.021 570 HB VAL 74 HB VAL 74 -2.211 -6.947 2.858 571 HG11 VAL 74 1HG1 VAL 74 -0.987 -5.346 1.461 572 HG12 VAL 74 2HG1 VAL 74 -2.279 -4.514 2.326 573 HG13 VAL 74 3HG1 VAL 74 -2.474 -4.904 0.616 574 HG21 VAL 74 3HG2 VAL 74 -4.341 -5.710 3.015 575 HG22 VAL 74 1HG2 VAL 74 -4.622 -7.389 2.550 576 HG23 VAL 74 2HG2 VAL 74 -4.712 -6.111 1.335 577 H LEU 75 H LEU 75 -0.355 -8.492 2.150 578 HA LEU 75 HA LEU 75 1.591 -6.869 0.968 579 HB2 LEU 75 2HB LEU 75 1.768 -9.202 2.850 580 HB3 LEU 75 1HB LEU 75 3.249 -8.673 2.075 581 HG LEU 75 HG LEU 75 3.084 -7.638 4.262 582 HD11 LEU 75 1HD1 LEU 75 2.559 -5.547 2.133 583 HD12 LEU 75 2HD1 LEU 75 4.118 -6.293 2.495 584 HD13 LEU 75 3HD1 LEU 75 3.329 -5.284 3.703 585 HD21 LEU 75 3HD2 LEU 75 0.435 -6.469 3.381 586 HD22 LEU 75 1HD2 LEU 75 1.282 -6.119 4.891 587 HD23 LEU 75 2HD2 LEU 75 0.673 -7.742 4.583 588 HA PRO 76 HA PRO 76 3.159 -10.793 -1.702 589 HB2 PRO 76 2HB PRO 76 0.364 -11.838 -2.251 590 HB3 PRO 76 1HB PRO 76 1.909 -12.720 -2.203 591 HG2 PRO 76 2HG PRO 76 0.271 -12.910 -0.158 592 HG3 PRO 76 1HG PRO 76 2.014 -12.697 0.132 593 HD2 PRO 76 2HD PRO 76 -0.198 -10.660 0.352 594 HD3 PRO 76 1HD PRO 76 1.220 -10.900 1.397 595 H LYS 77 H LYS 77 0.110 -9.087 -2.174 596 HA LYS 77 HA LYS 77 0.345 -8.799 -5.047 597 HB2 LYS 77 2HB LYS 77 -1.526 -7.405 -3.084 598 HB3 LYS 77 1HB LYS 77 -1.711 -7.444 -4.839 599 HG2 LYS 77 2HG LYS 77 -1.996 -9.913 -4.747 600 HG3 LYS 77 1HG LYS 77 -1.831 -9.855 -2.989 601 HD2 LYS 77 2HD LYS 77 -3.869 -8.422 -2.882 602 HD3 LYS 77 1HD LYS 77 -4.046 -8.572 -4.631 603 HE2 LYS 77 2HE LYS 77 -4.332 -11.025 -4.380 604 HE3 LYS 77 1HE LYS 77 -4.160 -10.863 -2.630 605 HZ1 LYS 77 3HZ LYS 77 -6.149 -9.417 -2.662 606 HZ2 LYS 77 1HZ LYS 77 -6.468 -10.989 -3.200 607 HZ3 LYS 77 2HZ LYS 77 -6.329 -9.728 -4.310 608 H VAL 78 H VAL 78 0.886 -6.748 -2.203 609 HA VAL 78 HA VAL 78 1.698 -4.369 -3.528 610 HB VAL 78 HB VAL 78 2.605 -5.378 -0.783 611 HG11 VAL 78 1HG1 VAL 78 2.998 -2.991 -0.241 612 HG12 VAL 78 2HG1 VAL 78 2.579 -2.546 -1.897 613 HG13 VAL 78 3HG1 VAL 78 4.013 -3.527 -1.583 614 HG21 VAL 78 3HG2 VAL 78 0.771 -4.035 0.175 615 HG22 VAL 78 1HG2 VAL 78 0.142 -5.286 -0.899 616 HG23 VAL 78 2HG2 VAL 78 0.217 -3.610 -1.445 617 H GLU 79 H GLU 79 3.454 -7.244 -2.448 618 HA GLU 79 HA GLU 79 6.087 -6.455 -3.073 619 HB2 GLU 79 2HB GLU 79 4.791 -9.199 -2.812 620 HB3 GLU 79 1HB GLU 79 6.509 -9.000 -3.151 621 HG2 GLU 79 2HG GLU 79 6.828 -7.822 -1.043 622 HG3 GLU 79 1HG GLU 79 5.101 -7.924 -0.696 623 H ALA 80 H ALA 80 3.524 -7.967 -4.976 624 HA ALA 80 HA ALA 80 4.983 -8.741 -7.254 625 HB1 ALA 80 3HB ALA 80 2.090 -7.840 -7.112 626 HB2 ALA 80 1HB ALA 80 2.681 -9.474 -6.810 627 HB3 ALA 80 2HB ALA 80 2.819 -8.772 -8.424 628 H VAL 81 H VAL 81 3.817 -5.596 -6.262 629 HA VAL 81 HA VAL 81 3.982 -4.208 -8.740 630 HB VAL 81 HB VAL 81 3.984 -3.304 -5.839 631 HG11 VAL 81 1HG1 VAL 81 3.567 -0.967 -6.617 632 HG12 VAL 81 2HG1 VAL 81 3.982 -1.469 -8.258 633 HG13 VAL 81 3HG1 VAL 81 5.197 -1.539 -6.981 634 HG21 VAL 81 3HG2 VAL 81 1.691 -2.545 -6.357 635 HG22 VAL 81 1HG2 VAL 81 1.886 -4.273 -6.662 636 HG23 VAL 81 2HG2 VAL 81 1.865 -3.131 -8.010 637 H PHE 82 H PHE 82 6.231 -4.080 -5.942 638 HA PHE 82 HA PHE 82 8.314 -2.724 -7.382 639 HB2 PHE 82 2HB PHE 82 8.552 -4.230 -4.740 640 HB3 PHE 82 1HB PHE 82 9.583 -2.918 -5.313 641 HD1 PHE 82 HD1 PHE 82 8.629 -0.569 -5.488 642 HD2 PHE 82 HD2 PHE 82 6.460 -3.766 -3.663 643 HE1 PHE 82 HE1 PHE 82 7.084 1.050 -4.468 644 HE2 PHE 82 HE2 PHE 82 4.935 -2.145 -2.645 645 HZ PHE 82 HZ PHE 82 5.235 0.246 -3.058 646 H GLU 83 H GLU 83 7.812 -6.049 -6.350 647 HA GLU 83 HA GLU 83 10.138 -7.055 -7.838 648 HB2 GLU 83 2HB GLU 83 8.251 -8.678 -6.070 649 HB3 GLU 83 1HB GLU 83 9.872 -9.114 -6.579 650 HG2 GLU 83 2HG GLU 83 9.185 -6.885 -4.652 651 HG3 GLU 83 1HG GLU 83 9.716 -8.497 -4.187 652 H LEU 84 H LEU 84 8.819 -6.276 -9.753 653 HA LEU 84 HA LEU 84 6.525 -7.518 -10.762 654 HB2 LEU 84 2HB LEU 84 8.966 -6.455 -12.225 655 HB3 LEU 84 1HB LEU 84 7.487 -6.931 -13.042 656 HG LEU 84 HG LEU 84 7.696 -4.671 -11.007 657 HD11 LEU 84 1HD1 LEU 84 8.877 -4.090 -13.070 658 HD12 LEU 84 2HD1 LEU 84 7.394 -3.152 -12.922 659 HD13 LEU 84 3HD1 LEU 84 7.459 -4.523 -14.032 660 HD21 LEU 84 3HD2 LEU 84 5.357 -5.509 -12.761 661 HD22 LEU 84 1HD2 LEU 84 5.415 -4.076 -11.727 662 HD23 LEU 84 2HD2 LEU 84 5.461 -5.683 -11.006 663 H GLU 85 H GLU 85 9.839 -8.574 -10.694 664 HA GLU 85 HA GLU 85 9.041 -11.313 -11.356 665 HB2 GLU 85 2HB GLU 85 11.429 -11.441 -12.531 666 HB3 GLU 85 1HB GLU 85 10.024 -10.892 -13.427 667 HG2 GLU 85 2HG GLU 85 12.048 -9.543 -13.886 668 HG3 GLU 85 1HG GLU 85 10.721 -8.580 -13.232 669 H HIS 86 H HIS 86 10.622 -12.896 -10.569 670 HA HIS 86 HA HIS 86 11.757 -12.268 -7.980 671 HB2 HIS 86 2HB HIS 86 11.913 -14.805 -9.673 672 HB3 HIS 86 1HB HIS 86 12.444 -14.671 -7.995 673 HD1 HIS 86 HD1 HIS 86 9.396 -14.976 -10.111 674 HD2 HIS 86 HD2 HIS 86 10.329 -14.549 -6.085 675 HE1 HIS 86 HE1 HIS 86 7.258 -15.420 -8.875 676 HE2 HIS 86 HE2 HIS 86 7.798 -14.927 -6.467 677 H HIS 87 H HIS 87 13.639 -11.201 -7.868 678 HA HIS 87 HA HIS 87 15.182 -10.458 -10.074 679 HB2 HIS 87 2HB HIS 87 15.958 -10.365 -7.127 680 HB3 HIS 87 1HB HIS 87 16.731 -9.449 -8.418 681 HD1 HIS 87 HD1 HIS 87 13.501 -8.960 -9.502 682 HD2 HIS 87 HD2 HIS 87 15.462 -7.728 -6.053 683 HE1 HIS 87 HE1 HIS 87 12.214 -6.977 -8.666 684 HE2 HIS 87 HE2 HIS 87 13.270 -6.431 -6.452 685 H HIS 88 H HIS 88 15.968 -12.189 -11.242 686 HA HIS 88 HA HIS 88 18.478 -13.327 -10.565 687 HB2 HIS 88 2HB HIS 88 16.938 -14.733 -9.089 688 HB3 HIS 88 1HB HIS 88 16.147 -15.317 -10.545 689 HD1 HIS 88 HD1 HIS 88 17.347 -17.171 -11.860 690 HD2 HIS 88 HD2 HIS 88 19.558 -15.740 -8.655 691 HE1 HIS 88 HE1 HIS 88 19.240 -18.790 -11.583 692 HE2 HIS 88 HE2 HIS 88 20.684 -17.773 -9.786 693 H HIS 89 H HIS 89 18.261 -11.986 -12.662 694 HA HIS 89 HA HIS 89 17.368 -13.484 -15.019 695 HB2 HIS 89 2HB HIS 89 18.778 -10.788 -14.774 696 HB3 HIS 89 1HB HIS 89 18.226 -11.489 -16.293 697 HD1 HIS 89 HD1 HIS 89 15.753 -11.224 -16.873 698 HD2 HIS 89 HD2 HIS 89 16.671 -9.900 -13.042 699 HE1 HIS 89 HE1 HIS 89 13.722 -9.990 -16.079 700 HE2 HIS 89 HE2 HIS 89 14.225 -9.408 -13.685 701 H HIS 90 H HIS 90 20.385 -12.291 -13.590 702 HA HIS 90 HA HIS 90 21.814 -14.687 -14.561 703 HB2 HIS 90 2HB HIS 90 22.836 -11.826 -14.791 704 HB3 HIS 90 1HB HIS 90 23.897 -13.228 -14.871 705 HD1 HIS 90 HD1 HIS 90 21.791 -11.102 -16.968 706 HD2 HIS 90 HD2 HIS 90 23.340 -14.951 -17.163 707 HE1 HIS 90 HE1 HIS 90 21.628 -11.766 -19.381 708 HE2 HIS 90 HE2 HIS 90 22.763 -14.007 -19.499 709 H HIS 91 H HIS 91 23.822 -15.084 -13.235 710 HA HIS 91 HA HIS 91 24.748 -15.623 -11.263 711 HB2 HIS 91 2HB HIS 91 25.367 -13.262 -11.066 712 HB3 HIS 91 1HB HIS 91 23.791 -12.858 -10.401 713 HD1 HIS 91 HD1 HIS 91 27.060 -14.492 -9.506 714 HD2 HIS 91 HD2 HIS 91 23.542 -13.280 -7.635 715 HE1 HIS 91 HE1 HIS 91 27.532 -14.601 -7.035 716 HE2 HIS 91 HE2 HIS 91 25.425 -13.790 -5.923 Start of MODEL 4 1 H1 MET 1 1H MET 1 14.508 0.580 -6.052 2 H2 MET 1 2H MET 1 15.041 0.366 -4.463 3 H3 MET 1 3H MET 1 15.029 1.911 -5.147 4 HA MET 1 HA MET 1 13.227 1.663 -3.633 5 HB2 MET 1 2HB MET 1 12.939 3.119 -5.604 6 HB3 MET 1 1HB MET 1 12.329 1.767 -6.549 7 HG2 MET 1 2HG MET 1 10.376 1.615 -5.044 8 HG3 MET 1 1HG MET 1 11.004 2.973 -4.105 9 HE1 MET 1 3HE MET 1 8.614 4.229 -4.445 10 HE2 MET 1 1HE MET 1 8.036 2.858 -5.394 11 HE3 MET 1 2HE MET 1 7.895 4.496 -6.032 12 H LYS 2 H LYS 2 12.655 -0.075 -2.486 13 HA LYS 2 HA LYS 2 10.679 -1.923 -3.621 14 HB2 LYS 2 2HB LYS 2 11.689 -3.903 -2.571 15 HB3 LYS 2 1HB LYS 2 12.841 -3.191 -3.691 16 HG2 LYS 2 2HG LYS 2 14.210 -2.344 -1.927 17 HG3 LYS 2 1HG LYS 2 12.943 -2.578 -0.722 18 HD2 LYS 2 2HD LYS 2 13.178 -5.083 -1.084 19 HD3 LYS 2 1HD LYS 2 14.579 -4.745 -2.106 20 HE2 LYS 2 2HE LYS 2 15.760 -3.751 -0.219 21 HE3 LYS 2 1HE LYS 2 14.333 -3.908 0.807 22 HZ1 LYS 2 3HZ LYS 2 14.511 -6.315 0.605 23 HZ2 LYS 2 1HZ LYS 2 15.926 -5.657 1.262 24 HZ3 LYS 2 2HZ LYS 2 15.892 -6.155 -0.354 25 H ILE 3 H ILE 3 9.899 -3.350 -1.467 26 HA ILE 3 HA ILE 3 9.322 -1.547 0.723 27 HB ILE 3 HB ILE 3 9.008 -4.585 0.574 28 HG12 ILE 3 2HG1 ILE 3 6.935 -2.369 0.199 29 HG13 ILE 3 1HG1 ILE 3 7.553 -3.438 -1.054 30 HG21 ILE 3 1HG2 ILE 3 7.582 -4.383 2.583 31 HG22 ILE 3 2HG2 ILE 3 7.928 -2.656 2.666 32 HG23 ILE 3 3HG2 ILE 3 9.225 -3.828 2.908 33 HD11 ILE 3 3HD1 ILE 3 6.495 -5.345 0.068 34 HD12 ILE 3 1HD1 ILE 3 5.337 -4.091 -0.369 35 HD13 ILE 3 2HD1 ILE 3 5.858 -4.259 1.307 36 H ILE 4 H ILE 4 10.888 -0.977 2.159 37 HA ILE 4 HA ILE 4 13.267 -2.615 2.589 38 HB ILE 4 HB ILE 4 12.406 0.117 3.636 39 HG12 ILE 4 2HG1 ILE 4 14.471 0.915 2.491 40 HG13 ILE 4 1HG1 ILE 4 14.842 -0.730 1.999 41 HG21 ILE 4 1HG2 ILE 4 14.887 -1.392 4.543 42 HG22 ILE 4 2HG2 ILE 4 13.508 -0.941 5.548 43 HG23 ILE 4 3HG2 ILE 4 14.552 0.311 4.877 44 HD11 ILE 4 3HD1 ILE 4 13.938 0.667 0.193 45 HD12 ILE 4 1HD1 ILE 4 12.435 0.845 1.093 46 HD13 ILE 4 2HD1 ILE 4 12.932 -0.745 0.512 47 H SER 5 H SER 5 10.552 -1.362 4.571 48 HA SER 5 HA SER 5 10.430 -3.789 6.141 49 HB2 SER 5 2HB SER 5 12.300 -2.588 7.280 50 HB3 SER 5 1HB SER 5 11.258 -1.187 7.527 51 HG SER 5 HG SER 5 10.440 -3.710 8.464 52 H ILE 6 H ILE 6 8.306 -4.149 6.469 53 HA ILE 6 HA ILE 6 6.376 -1.938 6.569 54 HB ILE 6 HB ILE 6 5.992 -4.965 6.434 55 HG12 ILE 6 2HG1 ILE 6 5.382 -2.738 4.438 56 HG13 ILE 6 1HG1 ILE 6 6.673 -3.922 4.316 57 HG21 ILE 6 1HG2 ILE 6 3.807 -2.858 6.580 58 HG22 ILE 6 2HG2 ILE 6 4.191 -4.036 7.834 59 HG23 ILE 6 3HG2 ILE 6 3.559 -4.582 6.284 60 HD11 ILE 6 3HD1 ILE 6 4.882 -4.460 2.812 61 HD12 ILE 6 1HD1 ILE 6 3.717 -4.481 4.136 62 HD13 ILE 6 2HD1 ILE 6 4.995 -5.697 4.062 63 H SER 7 H SER 7 6.972 -1.041 8.579 64 HA SER 7 HA SER 7 6.638 -0.577 10.778 65 HB2 SER 7 2HB SER 7 4.471 -2.707 10.582 66 HB3 SER 7 1HB SER 7 4.540 -1.381 11.747 67 HG SER 7 HG SER 7 4.364 -1.080 8.932 68 H GLU 8 H GLU 8 5.901 -2.137 13.027 69 HA GLU 8 HA GLU 8 8.133 -3.923 13.410 70 HB2 GLU 8 2HB GLU 8 5.915 -3.010 15.247 71 HB3 GLU 8 1HB GLU 8 7.124 -4.182 15.732 72 HG2 GLU 8 2HG GLU 8 7.572 -1.280 14.983 73 HG3 GLU 8 1HG GLU 8 7.756 -2.004 16.579 74 H THR 9 H THR 9 4.793 -4.113 12.869 75 HA THR 9 HA THR 9 4.912 -7.029 12.520 76 HB THR 9 HB THR 9 3.729 -6.611 14.660 77 HG1 THR 9 HG1 THR 9 1.788 -7.758 14.106 78 HG21 THR 9 3HG2 THR 9 2.777 -4.376 14.257 79 HG22 THR 9 1HG2 THR 9 1.513 -5.517 14.723 80 HG23 THR 9 2HG2 THR 9 1.694 -5.042 13.034 81 HA PRO 10 HA PRO 10 3.248 -6.059 8.406 82 HB2 PRO 10 2HB PRO 10 2.210 -8.886 8.651 83 HB3 PRO 10 1HB PRO 10 3.121 -8.131 7.325 84 HG2 PRO 10 2HG PRO 10 4.348 -9.801 8.981 85 HG3 PRO 10 1HG PRO 10 5.166 -8.324 8.419 86 HD2 PRO 10 2HD PRO 10 3.890 -8.855 11.094 87 HD3 PRO 10 1HD PRO 10 5.383 -7.975 10.711 88 H ASN 11 H ASN 11 1.145 -8.035 10.596 89 HA ASN 11 HA ASN 11 -1.251 -6.862 9.431 90 HB2 ASN 11 2HB ASN 11 -1.242 -9.267 10.080 91 HB3 ASN 11 1HB ASN 11 -1.089 -8.799 11.769 92 HD21 ASN 11 1HD2 ASN 11 -3.073 -9.612 12.464 93 HD22 ASN 11 2HD2 ASN 11 -4.598 -8.997 11.933 94 H HIS 12 H HIS 12 -2.245 -5.202 10.147 95 HA HIS 12 HA HIS 12 -2.662 -4.297 12.789 96 HB2 HIS 12 2HB HIS 12 -0.176 -3.692 12.392 97 HB3 HIS 12 1HB HIS 12 -0.724 -2.583 11.143 98 HD1 HIS 12 HD1 HIS 12 -0.436 -2.997 14.832 99 HD2 HIS 12 HD2 HIS 12 -1.928 -0.200 12.141 100 HE1 HIS 12 HE1 HIS 12 -0.803 -0.907 16.162 101 HE2 HIS 12 HE2 HIS 12 -1.779 0.748 14.541 102 H ASN 13 H ASN 13 -3.862 -1.967 12.518 103 HA ASN 13 HA ASN 13 -5.698 -2.243 10.324 104 HB2 ASN 13 2HB ASN 13 -5.436 0.110 12.214 105 HB3 ASN 13 1HB ASN 13 -6.789 -0.211 11.148 106 HD21 ASN 13 1HD2 ASN 13 -8.408 -0.559 12.583 107 HD22 ASN 13 2HD2 ASN 13 -8.412 -1.808 13.776 108 H THR 14 H THR 14 -2.779 -0.425 10.760 109 HA THR 14 HA THR 14 -2.824 0.267 7.908 110 HB THR 14 HB THR 14 -3.401 2.376 9.105 111 HG1 THR 14 HG1 THR 14 -2.261 2.771 7.278 112 HG21 THR 14 3HG2 THR 14 -1.768 3.502 10.560 113 HG22 THR 14 1HG2 THR 14 -0.706 2.095 10.478 114 HG23 THR 14 2HG2 THR 14 -2.281 1.968 11.266 115 H MET 15 H MET 15 -0.569 0.652 7.087 116 HA MET 15 HA MET 15 1.550 -0.586 8.728 117 HB2 MET 15 2HB MET 15 2.338 -1.901 6.779 118 HB3 MET 15 1HB MET 15 0.745 -2.396 7.322 119 HG2 MET 15 2HG MET 15 -0.303 -1.378 5.454 120 HG3 MET 15 1HG MET 15 1.153 -0.514 4.999 121 HE1 MET 15 3HE MET 15 1.729 -4.243 6.114 122 HE2 MET 15 1HE MET 15 1.026 -5.098 4.750 123 HE3 MET 15 2HE MET 15 0.002 -4.139 5.806 124 H LYS 16 H LYS 16 3.207 0.686 8.791 125 HA LYS 16 HA LYS 16 3.823 2.752 6.870 126 HB2 LYS 16 2HB LYS 16 4.295 3.155 9.245 127 HB3 LYS 16 1HB LYS 16 5.332 1.734 9.323 128 HG2 LYS 16 2HG LYS 16 6.940 2.808 7.790 129 HG3 LYS 16 1HG LYS 16 5.892 4.222 7.671 130 HD2 LYS 16 2HD LYS 16 6.240 4.711 10.059 131 HD3 LYS 16 1HD LYS 16 7.211 3.247 10.236 132 HE2 LYS 16 2HE LYS 16 8.872 4.188 8.640 133 HE3 LYS 16 1HE LYS 16 7.907 5.663 8.529 134 HZ1 LYS 16 3HZ LYS 16 8.251 6.002 10.903 135 HZ2 LYS 16 1HZ LYS 16 9.726 5.928 10.079 136 HZ3 LYS 16 2HZ LYS 16 9.196 4.605 10.986 137 H ILE 17 H ILE 17 4.148 1.618 4.919 138 HA ILE 17 HA ILE 17 6.275 -0.337 4.601 139 HB ILE 17 HB ILE 17 4.726 1.247 2.483 140 HG12 ILE 17 2HG1 ILE 17 4.296 -1.618 3.456 141 HG13 ILE 17 1HG1 ILE 17 3.284 -0.242 3.873 142 HG21 ILE 17 1HG2 ILE 17 6.517 -1.192 2.125 143 HG22 ILE 17 2HG2 ILE 17 6.872 0.449 1.579 144 HG23 ILE 17 3HG2 ILE 17 5.536 -0.447 0.858 145 HD11 ILE 17 3HD1 ILE 17 2.250 -1.610 2.165 146 HD12 ILE 17 1HD1 ILE 17 3.648 -1.410 1.110 147 HD13 ILE 17 2HD1 ILE 17 2.637 -0.020 1.515 148 H THR 18 H THR 18 8.193 0.528 5.186 149 HA THR 18 HA THR 18 8.825 3.321 4.737 150 HB THR 18 HB THR 18 10.660 1.240 5.994 151 HG1 THR 18 HG1 THR 18 8.460 1.335 6.955 152 HG21 THR 18 3HG2 THR 18 10.359 4.230 6.454 153 HG22 THR 18 1HG2 THR 18 11.666 3.464 5.544 154 HG23 THR 18 2HG2 THR 18 11.503 3.168 7.279 155 H LEU 19 H LEU 19 10.405 4.130 3.387 156 HA LEU 19 HA LEU 19 11.676 2.301 1.430 157 HB2 LEU 19 2HB LEU 19 11.008 5.250 1.070 158 HB3 LEU 19 1HB LEU 19 11.716 4.197 -0.148 159 HG LEU 19 HG LEU 19 8.888 3.998 0.979 160 HD11 LEU 19 1HD1 LEU 19 8.120 4.668 -1.253 161 HD12 LEU 19 2HD1 LEU 19 9.793 4.862 -1.788 162 HD13 LEU 19 3HD1 LEU 19 9.140 5.910 -0.525 163 HD21 LEU 19 3HD2 LEU 19 9.724 1.760 0.455 164 HD22 LEU 19 1HD2 LEU 19 10.181 2.282 -1.171 165 HD23 LEU 19 2HD2 LEU 19 8.480 2.242 -0.694 166 H SER 20 H SER 20 13.763 3.077 0.578 167 HA SER 20 HA SER 20 15.601 3.557 2.742 168 HB2 SER 20 2HB SER 20 17.321 3.226 0.875 169 HB3 SER 20 1HB SER 20 16.197 1.886 1.105 170 HG SER 20 HG SER 20 16.634 3.281 -1.103 171 H GLU 21 H GLU 21 13.984 5.575 0.512 172 HA GLU 21 HA GLU 21 16.049 7.617 0.335 173 HB2 GLU 21 2HB GLU 21 14.570 6.973 -1.615 174 HB3 GLU 21 1HB GLU 21 13.205 7.682 -0.758 175 HG2 GLU 21 2HG GLU 21 14.432 9.890 -0.785 176 HG3 GLU 21 1HG GLU 21 15.676 9.137 -1.779 177 H SER 22 H SER 22 15.811 7.537 2.844 178 HA SER 22 HA SER 22 13.675 9.208 3.940 179 HB2 SER 22 2HB SER 22 16.052 7.925 5.354 180 HB3 SER 22 1HB SER 22 14.575 8.540 6.103 181 HG SER 22 HG SER 22 13.453 6.872 4.859 182 H ARG 23 H ARG 23 14.565 10.979 2.452 183 HA ARG 23 HA ARG 23 16.312 12.777 3.918 184 HB2 ARG 23 2HB ARG 23 17.840 11.272 2.459 185 HB3 ARG 23 1HB ARG 23 17.109 12.057 1.062 186 HG2 ARG 23 2HG ARG 23 17.903 14.268 1.988 187 HG3 ARG 23 1HG ARG 23 18.753 13.374 3.246 188 HD2 ARG 23 2HD ARG 23 20.402 13.848 1.613 189 HD3 ARG 23 1HD ARG 23 19.972 12.156 1.337 190 HE ARG 23 HE ARG 23 18.337 13.301 -0.395 191 HH11 ARG 23 1HH1 ARG 23 21.721 14.136 0.186 192 HH12 ARG 23 2HH1 ARG 23 21.967 14.703 -1.434 193 HH21 ARG 23 1HH2 ARG 23 18.690 14.104 -2.487 194 HH22 ARG 23 2HH2 ARG 23 20.265 14.687 -2.945 195 H GLU 24 H GLU 24 14.781 12.202 0.742 196 HA GLU 24 HA GLU 24 14.668 14.923 -0.025 197 HB2 GLU 24 2HB GLU 24 13.147 12.540 -1.146 198 HB3 GLU 24 1HB GLU 24 13.227 14.128 -1.912 199 HG2 GLU 24 2HG GLU 24 15.578 12.274 -1.399 200 HG3 GLU 24 1HG GLU 24 14.773 12.514 -2.947 201 H GLY 25 H GLY 25 12.498 13.081 1.954 202 HA2 GLY 25 2HA GLY 25 10.610 13.673 3.116 203 HA3 GLY 25 1HA GLY 25 10.981 15.345 2.716 204 H MET 26 H MET 26 9.858 12.402 1.125 205 HA MET 26 HA MET 26 8.530 13.339 -1.066 206 HB2 MET 26 2HB MET 26 7.744 10.953 0.667 207 HB3 MET 26 1HB MET 26 7.209 11.212 -0.991 208 HG2 MET 26 2HG MET 26 9.473 10.952 -1.816 209 HG3 MET 26 1HG MET 26 10.106 10.858 -0.167 210 HE1 MET 26 3HE MET 26 11.393 8.585 -0.900 211 HE2 MET 26 1HE MET 26 10.684 8.688 -2.514 212 HE3 MET 26 2HE MET 26 10.558 7.192 -1.590 213 H THR 27 H THR 27 6.334 13.705 -1.599 214 HA THR 27 HA THR 27 5.063 15.596 0.085 215 HB THR 27 HB THR 27 3.273 15.585 -1.747 216 HG1 THR 27 HG1 THR 27 3.277 13.710 -2.780 217 HG21 THR 27 3HG2 THR 27 4.742 16.548 -3.487 218 HG22 THR 27 1HG2 THR 27 6.157 15.869 -2.681 219 HG23 THR 27 2HG2 THR 27 5.203 17.125 -1.886 220 H SER 28 H SER 28 3.032 15.539 1.100 221 HA SER 28 HA SER 28 2.130 12.932 2.068 222 HB2 SER 28 2HB SER 28 0.697 14.416 3.590 223 HB3 SER 28 1HB SER 28 2.439 14.605 3.764 224 HG SER 28 HG SER 28 1.050 16.271 1.975 225 H ASP 29 H ASP 29 0.753 11.883 0.696 226 HA ASP 29 HA ASP 29 -1.635 13.267 -0.310 227 HB2 ASP 29 2HB ASP 29 0.233 11.585 -2.032 228 HB3 ASP 29 1HB ASP 29 -1.401 12.034 -2.522 229 H THR 30 H THR 30 -3.445 12.100 -0.299 230 HA THR 30 HA THR 30 -3.364 9.336 0.720 231 HB THR 30 HB THR 30 -5.677 11.329 0.723 232 HG1 THR 30 HG1 THR 30 -3.732 11.693 2.143 233 HG21 THR 30 3HG2 THR 30 -6.737 9.763 2.317 234 HG22 THR 30 1HG2 THR 30 -5.392 8.640 2.113 235 HG23 THR 30 2HG2 THR 30 -6.468 8.984 0.756 236 H TYR 31 H TYR 31 -3.152 8.144 -1.090 237 HA TYR 31 HA TYR 31 -4.700 8.489 -3.506 238 HB2 TYR 31 2HB TYR 31 -2.808 6.245 -2.661 239 HB3 TYR 31 1HB TYR 31 -3.406 6.531 -4.290 240 HD1 TYR 31 HD1 TYR 31 -3.022 9.414 -4.676 241 HD2 TYR 31 HD2 TYR 31 -0.448 6.619 -2.713 242 HE1 TYR 31 HE1 TYR 31 -1.100 10.841 -5.171 243 HE2 TYR 31 HE2 TYR 31 1.484 8.062 -3.218 244 HH TYR 31 HH TYR 31 1.128 11.275 -4.317 245 H THR 32 H THR 32 -6.776 7.737 -3.642 246 HA THR 32 HA THR 32 -7.562 5.243 -2.264 247 HB THR 32 HB THR 32 -9.774 6.374 -1.617 248 HG1 THR 32 HG1 THR 32 -8.469 8.855 -1.631 249 HG21 THR 32 3HG2 THR 32 -7.260 7.397 -0.248 250 HG22 THR 32 1HG2 THR 32 -8.108 5.892 0.114 251 HG23 THR 32 2HG2 THR 32 -8.887 7.442 0.435 252 H LYS 33 H LYS 33 -9.295 7.742 -4.227 253 HA LYS 33 HA LYS 33 -10.939 5.585 -5.347 254 HB2 LYS 33 2HB LYS 33 -12.533 7.353 -5.946 255 HB3 LYS 33 1HB LYS 33 -12.059 7.510 -4.258 256 HG2 LYS 33 2HG LYS 33 -10.667 9.414 -4.720 257 HG3 LYS 33 1HG LYS 33 -10.770 9.155 -6.465 258 HD2 LYS 33 2HD LYS 33 -13.217 9.676 -6.354 259 HD3 LYS 33 1HD LYS 33 -13.042 10.024 -4.632 260 HE2 LYS 33 2HE LYS 33 -11.576 11.895 -5.112 261 HE3 LYS 33 1HE LYS 33 -11.536 11.485 -6.827 262 HZ1 LYS 33 3HZ LYS 33 -13.896 11.956 -6.955 263 HZ2 LYS 33 1HZ LYS 33 -13.046 13.308 -6.397 264 HZ3 LYS 33 2HZ LYS 33 -13.935 12.361 -5.317 265 H VAL 34 H VAL 34 -8.202 6.266 -6.451 266 HA VAL 34 HA VAL 34 -7.033 6.642 -8.327 267 HB VAL 34 HB VAL 34 -9.608 5.907 -9.779 268 HG11 VAL 34 1HG1 VAL 34 -6.762 5.975 -10.864 269 HG12 VAL 34 2HG1 VAL 34 -8.067 7.082 -11.299 270 HG13 VAL 34 3HG1 VAL 34 -8.176 5.378 -11.740 271 HG21 VAL 34 3HG2 VAL 34 -7.259 4.140 -8.973 272 HG22 VAL 34 1HG2 VAL 34 -8.634 3.619 -9.953 273 HG23 VAL 34 2HG2 VAL 34 -8.880 4.105 -8.275 274 H ASP 35 H ASP 35 -6.572 8.791 -8.066 275 HA ASP 35 HA ASP 35 -7.871 10.819 -9.649 276 HB2 ASP 35 2HB ASP 35 -9.420 10.568 -7.657 277 HB3 ASP 35 1HB ASP 35 -8.085 10.999 -6.601 278 H ASP 36 H ASP 36 -6.705 12.798 -9.642 279 HA ASP 36 HA ASP 36 -5.051 14.283 -9.469 280 HB2 ASP 36 2HB ASP 36 -5.511 14.144 -7.005 281 HB3 ASP 36 1HB ASP 36 -4.264 12.912 -6.865 282 H SER 37 H SER 37 -3.210 11.607 -7.955 283 HA SER 37 HA SER 37 -1.694 11.066 -10.374 284 HB2 SER 37 2HB SER 37 -0.531 13.099 -9.519 285 HB3 SER 37 1HB SER 37 -0.271 12.308 -7.964 286 HG SER 37 HG SER 37 1.436 11.422 -8.800 287 H GLN 38 H GLN 38 -3.030 9.147 -9.641 288 HA GLN 38 HA GLN 38 -1.504 7.420 -7.783 289 HB2 GLN 38 2HB GLN 38 -4.334 7.088 -8.872 290 HB3 GLN 38 1HB GLN 38 -3.527 5.974 -7.769 291 HG2 GLN 38 2HG GLN 38 -3.405 7.787 -6.080 292 HG3 GLN 38 1HG GLN 38 -4.274 8.853 -7.177 293 HE21 GLN 38 1HE2 GLN 38 -5.029 5.436 -6.782 294 HE22 GLN 38 2HE2 GLN 38 -6.538 5.672 -5.984 295 HA PRO 39 HA PRO 39 0.034 5.622 -11.791 296 HB2 PRO 39 2HB PRO 39 1.518 3.994 -9.720 297 HB3 PRO 39 1HB PRO 39 2.140 4.764 -11.195 298 HG2 PRO 39 2HG PRO 39 2.658 5.851 -8.836 299 HG3 PRO 39 1HG PRO 39 2.232 6.888 -10.218 300 HD2 PRO 39 2HD PRO 39 0.508 6.060 -7.892 301 HD3 PRO 39 1HD PRO 39 0.616 7.633 -8.713 302 H ALA 40 H ALA 40 -0.351 3.576 -12.758 303 HA ALA 40 HA ALA 40 -2.673 2.194 -12.147 304 HB1 ALA 40 3HB ALA 40 -1.909 0.522 -13.792 305 HB2 ALA 40 1HB ALA 40 -0.265 1.167 -13.696 306 HB3 ALA 40 2HB ALA 40 -1.569 2.160 -14.347 307 H PHE 41 H PHE 41 0.611 1.515 -11.178 308 HA PHE 41 HA PHE 41 0.347 -1.069 -10.094 309 HB2 PHE 41 2HB PHE 41 2.309 1.118 -9.289 310 HB3 PHE 41 1HB PHE 41 2.524 -0.616 -9.078 311 HD1 PHE 41 HD1 PHE 41 2.722 -2.086 -11.177 312 HD2 PHE 41 HD2 PHE 41 3.026 2.182 -11.324 313 HE1 PHE 41 HE1 PHE 41 3.842 -2.234 -13.363 314 HE2 PHE 41 HE2 PHE 41 4.149 2.019 -13.512 315 HZ PHE 41 HZ PHE 41 4.555 -0.188 -14.533 316 H ILE 42 H ILE 42 0.015 2.160 -8.661 317 HA ILE 42 HA ILE 42 -0.520 1.315 -5.961 318 HB ILE 42 HB ILE 42 -0.943 4.004 -7.342 319 HG12 ILE 42 2HG1 ILE 42 1.421 3.343 -7.250 320 HG13 ILE 42 1HG1 ILE 42 1.141 4.696 -6.166 321 HG21 ILE 42 1HG2 ILE 42 -2.441 3.905 -5.407 322 HG22 ILE 42 2HG2 ILE 42 -1.121 5.034 -5.095 323 HG23 ILE 42 3HG2 ILE 42 -1.100 3.429 -4.360 324 HD11 ILE 42 3HD1 ILE 42 1.472 1.797 -5.360 325 HD12 ILE 42 1HD1 ILE 42 1.158 3.135 -4.248 326 HD13 ILE 42 2HD1 ILE 42 2.656 3.089 -5.176 327 H ASN 43 H ASN 43 -2.451 1.866 -8.862 328 HA ASN 43 HA ASN 43 -5.030 2.164 -7.646 329 HB2 ASN 43 2HB ASN 43 -4.173 1.294 -10.444 330 HB3 ASN 43 1HB ASN 43 -5.857 1.426 -9.976 331 HD21 ASN 43 1HD2 ASN 43 -3.449 3.760 -8.870 332 HD22 ASN 43 2HD2 ASN 43 -4.030 5.054 -9.846 333 H ASP 44 H ASP 44 -3.120 -0.512 -8.884 334 HA ASP 44 HA ASP 44 -4.871 -2.657 -8.664 335 HB2 ASP 44 2HB ASP 44 -2.753 -2.845 -9.846 336 HB3 ASP 44 1HB ASP 44 -1.844 -2.516 -8.376 337 H ILE 45 H ILE 45 -2.530 -1.399 -6.254 338 HA ILE 45 HA ILE 45 -2.933 -3.280 -4.216 339 HB ILE 45 HB ILE 45 -2.209 -0.335 -3.840 340 HG12 ILE 45 2HG1 ILE 45 -0.346 -2.730 -4.213 341 HG13 ILE 45 1HG1 ILE 45 -0.682 -1.507 -5.434 342 HG21 ILE 45 1HG2 ILE 45 -2.861 -1.388 -1.709 343 HG22 ILE 45 2HG2 ILE 45 -1.130 -1.058 -1.722 344 HG23 ILE 45 3HG2 ILE 45 -1.715 -2.703 -1.983 345 HD11 ILE 45 3HD1 ILE 45 0.708 -1.042 -2.792 346 HD12 ILE 45 1HD1 ILE 45 0.352 0.198 -4.001 347 HD13 ILE 45 2HD1 ILE 45 1.458 -1.119 -4.387 348 H LEU 46 H LEU 46 -4.536 -0.138 -4.754 349 HA LEU 46 HA LEU 46 -6.360 -0.180 -2.592 350 HB2 LEU 46 2HB LEU 46 -6.422 1.183 -5.299 351 HB3 LEU 46 1HB LEU 46 -7.678 1.459 -4.096 352 HG LEU 46 HG LEU 46 -4.767 1.911 -3.401 353 HD11 LEU 46 1HD1 LEU 46 -6.541 3.973 -4.714 354 HD12 LEU 46 2HD1 LEU 46 -5.098 3.231 -5.406 355 HD13 LEU 46 3HD1 LEU 46 -4.957 4.273 -3.993 356 HD21 LEU 46 3HD2 LEU 46 -7.323 3.127 -2.296 357 HD22 LEU 46 1HD2 LEU 46 -5.681 3.455 -1.732 358 HD23 LEU 46 2HD2 LEU 46 -6.369 1.846 -1.540 359 H LYS 47 H LYS 47 -6.575 -1.558 -5.830 360 HA LYS 47 HA LYS 47 -9.346 -2.337 -5.630 361 HB2 LYS 47 2HB LYS 47 -7.185 -3.033 -7.655 362 HB3 LYS 47 1HB LYS 47 -8.859 -3.573 -7.792 363 HG2 LYS 47 2HG LYS 47 -9.630 -1.250 -7.966 364 HG3 LYS 47 1HG LYS 47 -7.980 -0.660 -7.727 365 HD2 LYS 47 2HD LYS 47 -7.309 -1.821 -9.847 366 HD3 LYS 47 1HD LYS 47 -8.997 -2.290 -10.093 367 HE2 LYS 47 2HE LYS 47 -9.637 0.085 -10.205 368 HE3 LYS 47 1HE LYS 47 -7.956 0.560 -9.935 369 HZ1 LYS 47 3HZ LYS 47 -7.371 -0.586 -11.996 370 HZ2 LYS 47 1HZ LYS 47 -8.493 0.649 -12.269 371 HZ3 LYS 47 2HZ LYS 47 -8.996 -0.964 -12.262 372 H VAL 48 H VAL 48 -6.367 -3.709 -4.503 373 HA VAL 48 HA VAL 48 -7.244 -6.445 -4.335 374 HB VAL 48 HB VAL 48 -5.149 -5.034 -2.602 375 HG11 VAL 48 1HG1 VAL 48 -5.980 -7.061 -1.487 376 HG12 VAL 48 2HG1 VAL 48 -4.324 -7.306 -2.038 377 HG13 VAL 48 3HG1 VAL 48 -5.666 -8.020 -2.937 378 HG21 VAL 48 3HG2 VAL 48 -3.458 -6.095 -4.073 379 HG22 VAL 48 1HG2 VAL 48 -4.505 -4.996 -4.970 380 HG23 VAL 48 2HG2 VAL 48 -4.747 -6.737 -5.095 381 H GLU 49 H GLU 49 -8.598 -7.328 -2.964 382 HA GLU 49 HA GLU 49 -10.446 -5.821 -1.482 383 HB2 GLU 49 2HB GLU 49 -9.949 -8.827 -1.545 384 HB3 GLU 49 1HB GLU 49 -11.389 -8.066 -0.868 385 HG2 GLU 49 2HG GLU 49 -12.113 -7.291 -3.024 386 HG3 GLU 49 1HG GLU 49 -10.556 -7.662 -3.757 387 H GLY 50 H GLY 50 -9.475 -4.667 0.108 388 HA2 GLY 50 2HA GLY 50 -9.407 -5.411 2.703 389 HA3 GLY 50 1HA GLY 50 -7.776 -5.799 2.156 390 H VAL 51 H VAL 51 -7.193 -3.814 0.411 391 HA VAL 51 HA VAL 51 -6.325 -1.767 2.192 392 HB VAL 51 HB VAL 51 -6.188 -1.929 -0.855 393 HG11 VAL 51 1HG1 VAL 51 -4.422 -0.182 -0.744 394 HG12 VAL 51 2HG1 VAL 51 -4.770 0.041 0.974 395 HG13 VAL 51 3HG1 VAL 51 -6.001 0.419 -0.230 396 HG21 VAL 51 3HG2 VAL 51 -3.864 -2.640 -0.516 397 HG22 VAL 51 1HG2 VAL 51 -4.970 -3.728 0.323 398 HG23 VAL 51 2HG2 VAL 51 -4.057 -2.523 1.236 399 H LYS 52 H LYS 52 -7.377 -0.020 2.839 400 HA LYS 52 HA LYS 52 -9.818 0.882 1.474 401 HB2 LYS 52 2HB LYS 52 -9.894 0.360 3.926 402 HB3 LYS 52 1HB LYS 52 -8.742 1.658 4.224 403 HG2 LYS 52 2HG LYS 52 -10.337 3.323 3.480 404 HG3 LYS 52 1HG LYS 52 -11.460 2.081 2.940 405 HD2 LYS 52 2HD LYS 52 -12.341 2.901 5.000 406 HD3 LYS 52 1HD LYS 52 -11.642 1.327 5.368 407 HE2 LYS 52 2HE LYS 52 -10.149 3.922 5.853 408 HE3 LYS 52 1HE LYS 52 -11.221 3.208 7.050 409 HZ1 LYS 52 3HZ LYS 52 -8.748 1.995 5.943 410 HZ2 LYS 52 1HZ LYS 52 -9.824 1.201 6.985 411 HZ3 LYS 52 2HZ LYS 52 -8.992 2.575 7.507 412 H SER 53 H SER 53 -6.778 2.256 2.848 413 HA SER 53 HA SER 53 -6.798 4.354 0.771 414 HB2 SER 53 2HB SER 53 -7.925 5.467 2.597 415 HB3 SER 53 1HB SER 53 -6.762 4.864 3.774 416 HG SER 53 HG SER 53 -5.423 6.397 3.259 417 H ILE 54 H ILE 54 -4.781 5.325 0.387 418 HA ILE 54 HA ILE 54 -2.367 3.981 1.478 419 HB ILE 54 HB ILE 54 -3.015 4.705 -1.423 420 HG12 ILE 54 2HG1 ILE 54 -2.294 2.054 -0.104 421 HG13 ILE 54 1HG1 ILE 54 -3.861 2.509 -0.764 422 HG21 ILE 54 1HG2 ILE 54 -0.747 4.078 -2.101 423 HG22 ILE 54 2HG2 ILE 54 -0.303 3.802 -0.418 424 HG23 ILE 54 3HG2 ILE 54 -0.695 5.431 -0.966 425 HD11 ILE 54 3HD1 ILE 54 -1.322 2.006 -2.311 426 HD12 ILE 54 1HD1 ILE 54 -2.834 2.591 -3.014 427 HD13 ILE 54 2HD1 ILE 54 -2.771 1.003 -2.255 428 H PHE 55 H PHE 55 -1.854 5.676 2.914 429 HA PHE 55 HA PHE 55 -1.658 8.419 1.858 430 HB2 PHE 55 2HB PHE 55 -2.848 8.132 3.997 431 HB3 PHE 55 1HB PHE 55 -1.414 7.407 4.715 432 HD1 PHE 55 HD1 PHE 55 -1.921 10.507 2.624 433 HD2 PHE 55 HD2 PHE 55 -0.558 8.894 6.352 434 HE1 PHE 55 HE1 PHE 55 -1.172 12.744 3.324 435 HE2 PHE 55 HE2 PHE 55 0.182 11.140 7.039 436 HZ PHE 55 HZ PHE 55 -0.118 13.063 5.528 437 H HIS 56 H HIS 56 0.175 8.564 0.689 438 HA HIS 56 HA HIS 56 2.735 7.502 1.650 439 HB2 HIS 56 2HB HIS 56 2.154 7.240 -0.733 440 HB3 HIS 56 1HB HIS 56 1.974 8.977 -0.904 441 HD1 HIS 56 HD1 HIS 56 3.810 9.440 -2.556 442 HD2 HIS 56 HD2 HIS 56 5.159 7.231 0.690 443 HE1 HIS 56 HE1 HIS 56 6.296 9.308 -2.812 444 HE2 HIS 56 HE2 HIS 56 7.074 7.859 -0.918 445 H VAL 57 H VAL 57 4.266 8.781 2.656 446 HA VAL 57 HA VAL 57 4.352 11.649 2.465 447 HB VAL 57 HB VAL 57 2.467 11.522 4.011 448 HG11 VAL 57 1HG1 VAL 57 4.138 9.748 5.778 449 HG12 VAL 57 2HG1 VAL 57 2.733 9.266 4.827 450 HG13 VAL 57 3HG1 VAL 57 2.540 10.391 6.175 451 HG21 VAL 57 3HG2 VAL 57 4.951 12.286 5.586 452 HG22 VAL 57 1HG2 VAL 57 3.295 12.789 5.950 453 HG23 VAL 57 2HG2 VAL 57 4.078 13.330 4.464 454 H MET 58 H MET 58 6.311 12.437 3.044 455 HA MET 58 HA MET 58 8.381 12.738 3.797 456 HB2 MET 58 2HB MET 58 7.458 12.431 6.036 457 HB3 MET 58 1HB MET 58 7.655 10.687 5.914 458 HG2 MET 58 2HG MET 58 10.105 10.966 5.829 459 HG3 MET 58 1HG MET 58 9.904 12.717 5.935 460 HE1 MET 58 3HE MET 58 11.389 11.460 9.433 461 HE2 MET 58 1HE MET 58 11.745 12.416 7.997 462 HE3 MET 58 2HE MET 58 11.647 10.655 7.885 463 H ASP 59 H ASP 59 8.202 9.185 4.388 464 HA ASP 59 HA ASP 59 10.017 8.622 2.178 465 HB2 ASP 59 2HB ASP 59 11.841 7.711 3.497 466 HB3 ASP 59 1HB ASP 59 11.537 9.343 4.070 467 H PHE 60 H PHE 60 7.339 7.846 3.618 468 HA PHE 60 HA PHE 60 7.566 4.945 3.251 469 HB2 PHE 60 2HB PHE 60 6.513 4.479 5.434 470 HB3 PHE 60 1HB PHE 60 8.043 5.317 5.651 471 HD1 PHE 60 HD1 PHE 60 8.048 7.757 6.323 472 HD2 PHE 60 HD2 PHE 60 4.430 5.462 6.209 473 HE1 PHE 60 HE1 PHE 60 6.915 9.460 7.686 474 HE2 PHE 60 HE2 PHE 60 3.313 7.172 7.574 475 HZ PHE 60 HZ PHE 60 4.539 9.185 8.287 476 H ILE 61 H ILE 61 5.409 3.907 3.329 477 HA ILE 61 HA ILE 61 3.214 5.699 2.481 478 HB ILE 61 HB ILE 61 3.477 2.818 1.483 479 HG12 ILE 61 2HG1 ILE 61 4.071 3.980 -0.818 480 HG13 ILE 61 1HG1 ILE 61 4.622 5.320 0.177 481 HG21 ILE 61 1HG2 ILE 61 1.836 5.179 0.503 482 HG22 ILE 61 2HG2 ILE 61 1.238 3.819 1.454 483 HG23 ILE 61 3HG2 ILE 61 1.820 3.553 -0.189 484 HD11 ILE 61 3HD1 ILE 61 6.449 3.879 -0.523 485 HD12 ILE 61 1HD1 ILE 61 5.687 2.497 0.264 486 HD13 ILE 61 2HD1 ILE 61 6.271 3.855 1.230 487 H SER 62 H SER 62 2.051 5.778 4.384 488 HA SER 62 HA SER 62 1.545 3.414 5.985 489 HB2 SER 62 2HB SER 62 0.082 5.035 7.315 490 HB3 SER 62 1HB SER 62 1.790 5.457 7.216 491 HG SER 62 HG SER 62 -0.010 6.506 5.326 492 H VAL 63 H VAL 63 0.500 2.026 4.587 493 HA VAL 63 HA VAL 63 -2.011 2.757 3.274 494 HB VAL 63 HB VAL 63 -0.620 0.034 3.359 495 HG11 VAL 63 1HG1 VAL 63 -2.738 1.064 1.447 496 HG12 VAL 63 2HG1 VAL 63 -2.993 -0.096 2.750 497 HG13 VAL 63 3HG1 VAL 63 -1.961 -0.522 1.384 498 HG21 VAL 63 3HG2 VAL 63 -0.348 2.168 1.206 499 HG22 VAL 63 1HG2 VAL 63 0.328 0.535 1.145 500 HG23 VAL 63 2HG2 VAL 63 0.904 1.683 2.354 501 H ASP 64 H ASP 64 -3.851 2.679 4.489 502 HA ASP 64 HA ASP 64 -4.078 0.725 6.702 503 HB2 ASP 64 2HB ASP 64 -6.055 2.055 7.445 504 HB3 ASP 64 1HB ASP 64 -4.569 2.989 7.391 505 H LYS 65 H LYS 65 -6.256 -0.250 7.040 506 HA LYS 65 HA LYS 65 -7.561 -1.048 4.515 507 HB2 LYS 65 2HB LYS 65 -7.401 -3.466 5.196 508 HB3 LYS 65 1HB LYS 65 -5.868 -2.727 4.785 509 HG2 LYS 65 2HG LYS 65 -5.291 -4.014 6.628 510 HG3 LYS 65 1HG LYS 65 -5.547 -2.437 7.368 511 HD2 LYS 65 2HD LYS 65 -7.731 -3.134 8.199 512 HD3 LYS 65 1HD LYS 65 -7.636 -4.647 7.302 513 HE2 LYS 65 2HE LYS 65 -5.845 -3.859 9.625 514 HE3 LYS 65 1HE LYS 65 -7.192 -4.997 9.699 515 HZ1 LYS 65 3HZ LYS 65 -6.021 -6.413 8.133 516 HZ2 LYS 65 1HZ LYS 65 -5.079 -6.139 9.510 517 HZ3 LYS 65 2HZ LYS 65 -4.730 -5.321 8.068 518 H GLU 66 H GLU 66 -9.522 -2.422 4.936 519 HA GLU 66 HA GLU 66 -11.087 -1.562 7.245 520 HB2 GLU 66 2HB GLU 66 -11.730 -3.550 5.018 521 HB3 GLU 66 1HB GLU 66 -12.881 -2.972 6.230 522 HG2 GLU 66 2HG GLU 66 -12.633 -0.672 5.349 523 HG3 GLU 66 1HG GLU 66 -11.485 -1.260 4.146 524 H ASN 67 H ASN 67 -11.233 -2.757 9.112 525 HA ASN 67 HA ASN 67 -9.137 -4.462 9.772 526 HB2 ASN 67 2HB ASN 67 -10.434 -2.976 11.333 527 HB3 ASN 67 1HB ASN 67 -11.735 -4.153 11.331 528 HD21 ASN 67 1HD2 ASN 67 -11.481 -6.071 12.529 529 HD22 ASN 67 2HD2 ASN 67 -10.179 -6.308 13.636 530 H ASP 68 H ASP 68 -12.204 -5.327 8.453 531 HA ASP 68 HA ASP 68 -12.601 -7.986 9.074 532 HB2 ASP 68 2HB ASP 68 -12.924 -6.696 6.327 533 HB3 ASP 68 1HB ASP 68 -13.682 -8.201 6.849 534 H ALA 69 H ALA 69 -10.490 -6.658 6.544 535 HA ALA 69 HA ALA 69 -9.499 -9.288 5.747 536 HB1 ALA 69 3HB ALA 69 -10.027 -7.651 4.008 537 HB2 ALA 69 1HB ALA 69 -8.312 -8.063 3.973 538 HB3 ALA 69 2HB ALA 69 -8.842 -6.528 4.673 539 H ASN 70 H ASN 70 -7.649 -10.158 6.472 540 HA ASN 70 HA ASN 70 -5.738 -8.658 8.087 541 HB2 ASN 70 2HB ASN 70 -5.679 -11.549 7.123 542 HB3 ASN 70 1HB ASN 70 -4.559 -10.846 8.283 543 HD21 ASN 70 1HD2 ASN 70 -5.278 -10.413 10.399 544 HD22 ASN 70 2HD2 ASN 70 -6.757 -11.059 11.014 545 H TRP 71 H TRP 71 -3.417 -8.618 7.521 546 HA TRP 71 HA TRP 71 -3.141 -7.635 4.833 547 HB2 TRP 71 2HB TRP 71 -1.310 -7.682 7.224 548 HB3 TRP 71 1HB TRP 71 -0.675 -7.246 5.643 549 HD1 TRP 71 HD1 TRP 71 -1.978 -5.629 8.606 550 HE1 TRP 71 HE1 TRP 71 -2.652 -3.209 8.123 551 HE3 TRP 71 HE3 TRP 71 -2.203 -5.830 3.497 552 HZ2 TRP 71 HZ2 TRP 71 -3.181 -1.595 5.932 553 HZ3 TRP 71 HZ3 TRP 71 -2.813 -3.770 2.284 554 HH2 TRP 71 HH2 TRP 71 -3.293 -1.696 3.491 555 H GLU 72 H GLU 72 -2.165 -10.631 6.410 556 HA GLU 72 HA GLU 72 0.134 -11.274 4.966 557 HB2 GLU 72 2HB GLU 72 -0.576 -13.769 5.563 558 HB3 GLU 72 1HB GLU 72 -0.054 -12.645 6.800 559 HG2 GLU 72 2HG GLU 72 -1.941 -13.917 7.593 560 HG3 GLU 72 1HG GLU 72 -2.387 -12.224 7.431 561 H THR 73 H THR 73 -3.167 -11.618 3.907 562 HA THR 73 HA THR 73 -2.567 -13.279 1.612 563 HB THR 73 HB THR 73 -4.763 -13.508 2.721 564 HG1 THR 73 HG1 THR 73 -4.353 -13.233 0.112 565 HG21 THR 73 3HG2 THR 73 -5.392 -10.691 1.743 566 HG22 THR 73 1HG2 THR 73 -5.154 -11.162 3.427 567 HG23 THR 73 2HG2 THR 73 -6.529 -11.797 2.520 568 H VAL 74 H VAL 74 -3.142 -9.883 2.318 569 HA VAL 74 HA VAL 74 -3.240 -8.885 -0.352 570 HB VAL 74 HB VAL 74 -2.677 -7.371 2.243 571 HG11 VAL 74 1HG1 VAL 74 -3.513 -5.361 1.070 572 HG12 VAL 74 2HG1 VAL 74 -3.670 -6.293 -0.421 573 HG13 VAL 74 3HG1 VAL 74 -2.079 -6.026 0.287 574 HG21 VAL 74 3HG2 VAL 74 -5.358 -7.884 0.894 575 HG22 VAL 74 1HG2 VAL 74 -5.100 -6.871 2.321 576 HG23 VAL 74 2HG2 VAL 74 -4.797 -8.608 2.404 577 H LEU 75 H LEU 75 -0.629 -9.406 1.968 578 HA LEU 75 HA LEU 75 1.294 -7.586 1.235 579 HB2 LEU 75 2HB LEU 75 1.606 -10.346 2.431 580 HB3 LEU 75 1HB LEU 75 2.987 -9.293 2.185 581 HG LEU 75 HG LEU 75 0.601 -8.672 3.971 582 HD11 LEU 75 1HD1 LEU 75 2.128 -8.966 5.857 583 HD12 LEU 75 2HD1 LEU 75 3.430 -9.429 4.756 584 HD13 LEU 75 3HD1 LEU 75 1.999 -10.451 4.915 585 HD21 LEU 75 3HD2 LEU 75 1.928 -6.731 4.723 586 HD22 LEU 75 1HD2 LEU 75 1.510 -6.630 3.014 587 HD23 LEU 75 2HD2 LEU 75 3.146 -7.090 3.495 588 HA PRO 76 HA PRO 76 3.386 -10.804 -1.906 589 HB2 PRO 76 2HB PRO 76 0.880 -12.153 -2.905 590 HB3 PRO 76 1HB PRO 76 2.519 -12.814 -2.698 591 HG2 PRO 76 2HG PRO 76 0.638 -13.451 -0.953 592 HG3 PRO 76 1HG PRO 76 2.280 -13.065 -0.386 593 HD2 PRO 76 2HD PRO 76 -0.181 -11.326 -0.340 594 HD3 PRO 76 1HD PRO 76 1.060 -11.559 0.914 595 H LYS 77 H LYS 77 0.212 -9.374 -2.362 596 HA LYS 77 HA LYS 77 0.566 -8.775 -5.170 597 HB2 LYS 77 2HB LYS 77 -1.659 -8.115 -3.199 598 HB3 LYS 77 1HB LYS 77 -1.673 -7.553 -4.864 599 HG2 LYS 77 2HG LYS 77 -3.075 -9.503 -4.755 600 HG3 LYS 77 1HG LYS 77 -1.606 -9.949 -5.627 601 HD2 LYS 77 2HD LYS 77 -0.756 -10.882 -3.367 602 HD3 LYS 77 1HD LYS 77 -2.414 -10.697 -2.791 603 HE2 LYS 77 2HE LYS 77 -1.546 -12.385 -5.169 604 HE3 LYS 77 1HE LYS 77 -1.929 -13.004 -3.563 605 HZ1 LYS 77 3HZ LYS 77 -3.836 -11.586 -5.350 606 HZ2 LYS 77 1HZ LYS 77 -4.191 -12.254 -3.836 607 HZ3 LYS 77 2HZ LYS 77 -3.758 -13.260 -5.123 608 H VAL 78 H VAL 78 0.646 -6.953 -2.090 609 HA VAL 78 HA VAL 78 1.088 -4.376 -3.224 610 HB VAL 78 HB VAL 78 1.962 -5.393 -0.472 611 HG11 VAL 78 1HG1 VAL 78 3.117 -3.313 -1.063 612 HG12 VAL 78 2HG1 VAL 78 1.938 -3.013 0.215 613 HG13 VAL 78 3HG1 VAL 78 1.579 -2.536 -1.448 614 HG21 VAL 78 3HG2 VAL 78 -0.143 -4.403 0.382 615 HG22 VAL 78 1HG2 VAL 78 -0.453 -5.690 -0.785 616 HG23 VAL 78 2HG2 VAL 78 -0.624 -4.002 -1.269 617 H GLU 79 H GLU 79 3.305 -6.860 -1.959 618 HA GLU 79 HA GLU 79 5.752 -5.509 -2.365 619 HB2 GLU 79 2HB GLU 79 5.409 -7.436 -0.822 620 HB3 GLU 79 1HB GLU 79 5.203 -8.498 -2.211 621 HG2 GLU 79 2HG GLU 79 7.544 -7.992 -2.906 622 HG3 GLU 79 1HG GLU 79 7.732 -6.989 -1.467 623 H ALA 80 H ALA 80 3.774 -7.536 -4.448 624 HA ALA 80 HA ALA 80 5.520 -8.150 -6.544 625 HB1 ALA 80 3HB ALA 80 2.531 -7.624 -6.730 626 HB2 ALA 80 1HB ALA 80 3.286 -9.169 -6.332 627 HB3 ALA 80 2HB ALA 80 3.511 -8.468 -7.935 628 H VAL 81 H VAL 81 3.706 -5.187 -5.859 629 HA VAL 81 HA VAL 81 4.003 -3.785 -8.281 630 HB VAL 81 HB VAL 81 3.770 -2.809 -5.406 631 HG11 VAL 81 1HG1 VAL 81 3.174 -0.539 -6.290 632 HG12 VAL 81 2HG1 VAL 81 3.733 -1.052 -7.883 633 HG13 VAL 81 3HG1 VAL 81 4.867 -0.976 -6.538 634 HG21 VAL 81 3HG2 VAL 81 1.429 -2.316 -6.037 635 HG22 VAL 81 1HG2 VAL 81 1.830 -4.020 -6.263 636 HG23 VAL 81 2HG2 VAL 81 1.737 -2.940 -7.658 637 H PHE 82 H PHE 82 6.098 -3.834 -5.410 638 HA PHE 82 HA PHE 82 8.178 -2.204 -6.645 639 HB2 PHE 82 2HB PHE 82 8.301 -3.642 -3.966 640 HB3 PHE 82 1HB PHE 82 9.179 -2.196 -4.457 641 HD1 PHE 82 HD2 PHE 82 7.884 -0.014 -4.763 642 HD2 PHE 82 HD1 PHE 82 6.130 -3.493 -2.997 643 HE1 PHE 82 HE2 PHE 82 6.040 1.348 -3.868 644 HE2 PHE 82 HE1 PHE 82 4.294 -2.126 -2.118 645 HZ PHE 82 HZ PHE 82 4.248 0.276 -2.569 646 H GLU 83 H GLU 83 7.566 -5.135 -7.617 647 HA GLU 83 HA GLU 83 10.348 -5.915 -7.964 648 HB2 GLU 83 2HB GLU 83 9.583 -6.830 -5.687 649 HB3 GLU 83 1HB GLU 83 8.500 -7.901 -6.568 650 HG2 GLU 83 2HG GLU 83 10.416 -8.986 -7.654 651 HG3 GLU 83 1HG GLU 83 11.527 -7.855 -6.881 652 H LEU 84 H LEU 84 7.388 -5.576 -9.338 653 HA LEU 84 HA LEU 84 7.202 -7.964 -10.928 654 HB2 LEU 84 2HB LEU 84 5.604 -6.503 -12.398 655 HB3 LEU 84 1HB LEU 84 5.116 -6.986 -10.789 656 HG LEU 84 HG LEU 84 5.764 -4.664 -9.975 657 HD11 LEU 84 1HD1 LEU 84 5.908 -2.814 -11.564 658 HD12 LEU 84 2HD1 LEU 84 5.913 -3.954 -12.912 659 HD13 LEU 84 3HD1 LEU 84 7.249 -3.942 -11.761 660 HD21 LEU 84 3HD2 LEU 84 3.439 -5.329 -10.341 661 HD22 LEU 84 1HD2 LEU 84 3.536 -4.816 -12.030 662 HD23 LEU 84 2HD2 LEU 84 3.678 -3.628 -10.729 663 H GLU 85 H GLU 85 8.813 -4.906 -11.289 664 HA GLU 85 HA GLU 85 10.267 -4.033 -12.763 665 HB2 GLU 85 2HB GLU 85 10.996 -6.970 -12.855 666 HB3 GLU 85 1HB GLU 85 11.930 -5.781 -13.763 667 HG2 GLU 85 2HG GLU 85 11.488 -5.766 -10.751 668 HG3 GLU 85 1HG GLU 85 12.956 -6.301 -11.576 669 H HIS 86 H HIS 86 7.787 -4.150 -13.819 670 HA HIS 86 HA HIS 86 7.876 -5.007 -16.580 671 HB2 HIS 86 2HB HIS 86 5.732 -4.980 -15.290 672 HB3 HIS 86 1HB HIS 86 5.838 -3.228 -15.161 673 HD1 HIS 86 HD1 HIS 86 4.584 -1.995 -16.938 674 HD2 HIS 86 HD2 HIS 86 5.629 -5.823 -18.166 675 HE1 HIS 86 HE1 HIS 86 3.559 -2.278 -19.210 676 HE2 HIS 86 HE2 HIS 86 4.269 -4.572 -19.959 677 H HIS 87 H HIS 87 9.908 -3.866 -16.885 678 HA HIS 87 HA HIS 87 9.608 -1.642 -18.559 679 HB2 HIS 87 2HB HIS 87 11.075 0.027 -17.410 680 HB3 HIS 87 1HB HIS 87 9.577 -0.225 -16.544 681 HD1 HIS 87 HD1 HIS 87 12.992 0.286 -15.872 682 HD2 HIS 87 HD2 HIS 87 10.125 -2.268 -14.298 683 HE1 HIS 87 HE1 HIS 87 13.848 -0.379 -13.617 684 HE2 HIS 87 HE2 HIS 87 12.023 -1.783 -12.624 685 H HIS 88 H HIS 88 10.926 -2.266 -20.137 686 HA HIS 88 HA HIS 88 12.973 -4.231 -19.809 687 HB2 HIS 88 2HB HIS 88 13.399 -3.873 -22.273 688 HB3 HIS 88 1HB HIS 88 11.730 -4.240 -21.876 689 HD1 HIS 88 HD1 HIS 88 9.967 -2.559 -22.560 690 HD2 HIS 88 HD2 HIS 88 13.829 -1.126 -23.069 691 HE1 HIS 88 HE1 HIS 88 9.730 -0.412 -23.821 692 HE2 HIS 88 HE2 HIS 88 12.083 0.317 -24.299 693 H HIS 89 H HIS 89 13.057 -0.696 -20.192 694 HA HIS 89 HA HIS 89 15.923 -0.447 -20.002 695 HB2 HIS 89 2HB HIS 89 13.613 1.480 -19.570 696 HB3 HIS 89 1HB HIS 89 15.223 1.937 -19.039 697 HD1 HIS 89 HD1 HIS 89 16.954 2.544 -20.826 698 HD2 HIS 89 HD2 HIS 89 13.268 1.445 -22.405 699 HE1 HIS 89 HE1 HIS 89 17.006 3.271 -23.227 700 HE2 HIS 89 HE2 HIS 89 14.866 2.386 -24.202 701 H HIS 90 H HIS 90 17.136 0.110 -18.118 702 HA HIS 90 HA HIS 90 16.124 -1.015 -15.622 703 HB2 HIS 90 2HB HIS 90 18.873 0.187 -16.164 704 HB3 HIS 90 1HB HIS 90 18.417 -0.862 -14.821 705 HD1 HIS 90 HD1 HIS 90 17.244 -3.280 -15.988 706 HD2 HIS 90 HD2 HIS 90 20.326 -1.278 -17.937 707 HE1 HIS 90 HE1 HIS 90 18.242 -4.944 -17.579 708 HE2 HIS 90 HE2 HIS 90 19.989 -3.664 -18.847 709 H HIS 91 H HIS 91 15.709 0.165 -13.768 710 HA HIS 91 HA HIS 91 15.160 1.840 -12.390 711 HB2 HIS 91 2HB HIS 91 17.043 3.577 -14.053 712 HB3 HIS 91 1HB HIS 91 16.297 4.081 -12.543 713 HD1 HIS 91 HD1 HIS 91 18.685 4.407 -11.547 714 HD2 HIS 91 HD2 HIS 91 17.781 0.488 -12.577 715 HE1 HIS 91 HE1 HIS 91 20.447 2.991 -10.458 716 HE2 HIS 91 HE2 HIS 91 19.944 0.641 -11.192 Start of MODEL 5 1 H1 MET 1 1H MET 1 12.628 2.774 -6.242 2 H2 MET 1 2H MET 1 13.117 3.183 -4.681 3 H3 MET 1 3H MET 1 12.537 4.380 -5.717 4 HA MET 1 HA MET 1 10.885 3.833 -4.105 5 HB2 MET 1 2HB MET 1 10.192 2.812 -6.891 6 HB3 MET 1 1HB MET 1 9.014 3.269 -5.665 7 HG2 MET 1 2HG MET 1 9.912 5.582 -5.699 8 HG3 MET 1 1HG MET 1 11.022 5.108 -6.991 9 HE1 MET 1 3HE MET 1 10.145 6.985 -8.687 10 HE2 MET 1 1HE MET 1 9.134 7.591 -7.371 11 HE3 MET 1 2HE MET 1 8.430 7.300 -8.963 12 H LYS 2 H LYS 2 12.838 1.651 -3.873 13 HA LYS 2 HA LYS 2 11.130 -0.723 -3.590 14 HB2 LYS 2 2HB LYS 2 14.087 -0.463 -2.878 15 HB3 LYS 2 1HB LYS 2 13.161 -1.950 -3.034 16 HG2 LYS 2 2HG LYS 2 14.037 -0.078 -5.251 17 HG3 LYS 2 1HG LYS 2 14.566 -1.736 -4.973 18 HD2 LYS 2 2HD LYS 2 11.753 -0.895 -5.797 19 HD3 LYS 2 1HD LYS 2 12.982 -1.542 -6.882 20 HE2 LYS 2 2HE LYS 2 11.819 -3.043 -4.514 21 HE3 LYS 2 1HE LYS 2 11.282 -3.226 -6.180 22 HZ1 LYS 2 3HZ LYS 2 14.002 -3.831 -5.162 23 HZ2 LYS 2 1HZ LYS 2 13.502 -3.991 -6.765 24 HZ3 LYS 2 2HZ LYS 2 12.821 -4.966 -5.568 25 H ILE 3 H ILE 3 11.052 -1.853 -1.512 26 HA ILE 3 HA ILE 3 10.403 -0.044 0.640 27 HB ILE 3 HB ILE 3 10.442 -3.097 0.784 28 HG12 ILE 3 2HG1 ILE 3 8.077 -1.325 -0.014 29 HG13 ILE 3 1HG1 ILE 3 9.001 -2.334 -1.121 30 HG21 ILE 3 1HG2 ILE 3 10.324 -1.969 2.977 31 HG22 ILE 3 2HG2 ILE 3 8.811 -2.802 2.628 32 HG23 ILE 3 3HG2 ILE 3 8.913 -1.047 2.451 33 HD11 ILE 3 3HD1 ILE 3 8.244 -4.340 0.054 34 HD12 ILE 3 1HD1 ILE 3 6.887 -3.369 -0.516 35 HD13 ILE 3 2HD1 ILE 3 7.333 -3.339 1.189 36 H ILE 4 H ILE 4 11.691 0.529 2.276 37 HA ILE 4 HA ILE 4 14.310 -0.669 2.721 38 HB ILE 4 HB ILE 4 12.922 1.694 4.083 39 HG12 ILE 4 2HG1 ILE 4 13.464 2.166 1.731 40 HG13 ILE 4 1HG1 ILE 4 14.511 3.106 2.785 41 HG21 ILE 4 1HG2 ILE 4 15.797 0.747 4.433 42 HG22 ILE 4 2HG2 ILE 4 14.521 0.713 5.652 43 HG23 ILE 4 3HG2 ILE 4 15.133 2.259 5.067 44 HD11 ILE 4 3HD1 ILE 4 15.742 2.251 0.888 45 HD12 ILE 4 1HD1 ILE 4 15.277 0.597 1.286 46 HD13 ILE 4 2HD1 ILE 4 16.336 1.503 2.369 47 H SER 5 H SER 5 11.261 -0.168 4.536 48 HA SER 5 HA SER 5 11.831 -2.514 6.203 49 HB2 SER 5 2HB SER 5 11.152 -1.212 8.275 50 HB3 SER 5 1HB SER 5 12.687 -0.696 7.577 51 HG SER 5 HG SER 5 10.259 0.645 7.735 52 H ILE 6 H ILE 6 10.066 -3.761 6.416 53 HA ILE 6 HA ILE 6 7.500 -2.850 5.326 54 HB ILE 6 HB ILE 6 8.251 -5.677 6.249 55 HG12 ILE 6 2HG1 ILE 6 8.205 -6.129 3.660 56 HG13 ILE 6 1HG1 ILE 6 8.436 -4.395 3.491 57 HG21 ILE 6 1HG2 ILE 6 5.888 -4.716 4.591 58 HG22 ILE 6 2HG2 ILE 6 5.824 -5.281 6.262 59 HG23 ILE 6 3HG2 ILE 6 6.260 -6.402 4.971 60 HD11 ILE 6 3HD1 ILE 6 10.511 -5.621 3.279 61 HD12 ILE 6 1HD1 ILE 6 10.299 -6.309 4.889 62 HD13 ILE 6 2HD1 ILE 6 10.554 -4.572 4.695 63 H SER 7 H SER 7 7.009 -1.448 7.047 64 HA SER 7 HA SER 7 5.748 -0.773 8.752 65 HB2 SER 7 2HB SER 7 3.920 -2.224 9.564 66 HB3 SER 7 1HB SER 7 4.068 -2.301 7.813 67 HG SER 7 HG SER 7 5.465 -4.236 9.223 68 H GLU 8 H GLU 8 5.106 -1.160 11.145 69 HA GLU 8 HA GLU 8 7.184 -2.605 12.673 70 HB2 GLU 8 2HB GLU 8 5.394 -0.309 13.604 71 HB3 GLU 8 1HB GLU 8 6.718 -1.037 14.488 72 HG2 GLU 8 2HG GLU 8 8.325 -0.151 12.871 73 HG3 GLU 8 1HG GLU 8 7.008 0.537 11.922 74 H THR 9 H THR 9 5.707 -2.718 15.129 75 HA THR 9 HA THR 9 3.930 -4.920 14.456 76 HB THR 9 HB THR 9 3.958 -5.328 16.956 77 HG1 THR 9 HG1 THR 9 4.963 -3.963 18.227 78 HG21 THR 9 3HG2 THR 9 6.245 -6.234 17.014 79 HG22 THR 9 1HG2 THR 9 6.692 -5.244 15.621 80 HG23 THR 9 2HG2 THR 9 5.513 -6.546 15.440 81 HA PRO 10 HA PRO 10 0.965 -2.504 17.365 82 HB2 PRO 10 2HB PRO 10 1.154 0.151 17.869 83 HB3 PRO 10 1HB PRO 10 2.203 -1.018 18.701 84 HG2 PRO 10 2HG PRO 10 2.828 0.709 16.326 85 HG3 PRO 10 1HG PRO 10 3.801 0.410 17.785 86 HD2 PRO 10 2HD PRO 10 4.220 -0.921 15.418 87 HD3 PRO 10 1HD PRO 10 4.600 -1.622 17.005 88 H ASN 11 H ASN 11 1.885 -1.351 14.346 89 HA ASN 11 HA ASN 11 -0.629 0.048 13.712 90 HB2 ASN 11 2HB ASN 11 0.616 0.809 11.697 91 HB3 ASN 11 1HB ASN 11 1.403 1.281 13.187 92 HD21 ASN 11 1HD2 ASN 11 1.641 -0.717 10.326 93 HD22 ASN 11 2HD2 ASN 11 3.290 -1.172 10.556 94 H HIS 12 H HIS 12 -1.115 -2.507 14.098 95 HA HIS 12 HA HIS 12 -0.745 -4.332 11.967 96 HB2 HIS 12 2HB HIS 12 -1.308 -5.026 14.269 97 HB3 HIS 12 1HB HIS 12 -2.886 -4.261 14.139 98 HD1 HIS 12 HD1 HIS 12 -4.663 -5.962 13.797 99 HD2 HIS 12 HD2 HIS 12 -1.076 -7.108 12.031 100 HE1 HIS 12 HE1 HIS 12 -5.110 -8.210 12.755 101 HE2 HIS 12 HE2 HIS 12 -2.867 -8.958 11.884 102 H ASN 13 H ASN 13 -3.098 -1.786 12.475 103 HA ASN 13 HA ASN 13 -4.740 -2.701 10.197 104 HB2 ASN 13 2HB ASN 13 -5.391 -0.631 12.331 105 HB3 ASN 13 1HB ASN 13 -6.467 -1.116 11.026 106 HD21 ASN 13 1HD2 ASN 13 -6.850 -1.298 13.929 107 HD22 ASN 13 2HD2 ASN 13 -7.183 -2.960 14.259 108 H THR 14 H THR 14 -2.078 -0.942 10.442 109 HA THR 14 HA THR 14 -2.548 0.440 7.962 110 HB THR 14 HB THR 14 -3.425 2.220 9.290 111 HG1 THR 14 HG1 THR 14 -2.219 3.356 7.975 112 HG21 THR 14 3HG2 THR 14 -1.018 2.057 11.133 113 HG22 THR 14 1HG2 THR 14 -2.662 1.544 11.530 114 HG23 THR 14 2HG2 THR 14 -2.316 3.248 11.226 115 H MET 15 H MET 15 -0.846 -0.646 6.999 116 HA MET 15 HA MET 15 1.598 -1.158 8.502 117 HB2 MET 15 2HB MET 15 0.617 -2.060 5.775 118 HB3 MET 15 1HB MET 15 2.271 -2.350 6.294 119 HG2 MET 15 2HG MET 15 1.383 -3.576 8.279 120 HG3 MET 15 1HG MET 15 -0.241 -3.380 7.618 121 HE1 MET 15 3HE MET 15 3.076 -5.746 5.409 122 HE2 MET 15 1HE MET 15 3.350 -4.939 6.951 123 HE3 MET 15 2HE MET 15 3.046 -3.985 5.499 124 H LYS 16 H LYS 16 3.368 -0.033 8.441 125 HA LYS 16 HA LYS 16 3.717 2.335 6.837 126 HB2 LYS 16 2HB LYS 16 4.331 2.256 9.242 127 HB3 LYS 16 1HB LYS 16 5.521 1.002 8.915 128 HG2 LYS 16 2HG LYS 16 6.760 2.654 7.470 129 HG3 LYS 16 1HG LYS 16 5.618 3.895 7.992 130 HD2 LYS 16 2HD LYS 16 7.546 2.336 9.767 131 HD3 LYS 16 1HD LYS 16 7.685 4.035 9.309 132 HE2 LYS 16 2HE LYS 16 5.479 2.831 11.016 133 HE3 LYS 16 1HE LYS 16 6.834 3.787 11.609 134 HZ1 LYS 16 3HZ LYS 16 6.013 5.683 10.396 135 HZ2 LYS 16 1HZ LYS 16 4.793 5.083 11.395 136 HZ3 LYS 16 2HZ LYS 16 4.755 4.778 9.735 137 H ILE 17 H ILE 17 3.962 1.489 4.675 138 HA ILE 17 HA ILE 17 6.274 -0.173 4.031 139 HB ILE 17 HB ILE 17 4.292 1.244 2.181 140 HG12 ILE 17 2HG1 ILE 17 4.372 -1.692 3.033 141 HG13 ILE 17 1HG1 ILE 17 3.263 -0.494 3.685 142 HG21 ILE 17 1HG2 ILE 17 6.338 -0.917 1.510 143 HG22 ILE 17 2HG2 ILE 17 6.428 0.778 1.031 144 HG23 ILE 17 3HG2 ILE 17 5.142 -0.245 0.396 145 HD11 ILE 17 3HD1 ILE 17 2.161 -1.870 2.048 146 HD12 ILE 17 1HD1 ILE 17 3.374 -1.466 0.835 147 HD13 ILE 17 2HD1 ILE 17 2.285 -0.219 1.443 148 H THR 18 H THR 18 8.067 0.958 4.567 149 HA THR 18 HA THR 18 8.433 3.764 4.001 150 HB THR 18 HB THR 18 10.465 1.677 4.924 151 HG1 THR 18 HG1 THR 18 9.962 2.724 7.010 152 HG21 THR 18 3HG2 THR 18 11.735 3.625 5.775 153 HG22 THR 18 1HG2 THR 18 10.545 4.721 5.066 154 HG23 THR 18 2HG2 THR 18 11.551 3.710 4.024 155 H LEU 19 H LEU 19 9.109 4.602 2.104 156 HA LEU 19 HA LEU 19 10.176 2.891 -0.013 157 HB2 LEU 19 2HB LEU 19 9.465 5.849 0.010 158 HB3 LEU 19 1HB LEU 19 10.034 4.977 -1.408 159 HG LEU 19 HG LEU 19 7.419 4.498 0.073 160 HD11 LEU 19 1HD1 LEU 19 7.896 5.593 -2.717 161 HD12 LEU 19 2HD1 LEU 19 7.389 6.527 -1.306 162 HD13 LEU 19 3HD1 LEU 19 6.326 5.285 -1.963 163 HD21 LEU 19 3HD2 LEU 19 6.864 2.857 -1.679 164 HD22 LEU 19 1HD2 LEU 19 8.270 2.352 -0.744 165 HD23 LEU 19 2HD2 LEU 19 8.484 3.023 -2.363 166 H SER 20 H SER 20 12.036 3.691 -1.301 167 HA SER 20 HA SER 20 14.332 4.066 0.382 168 HB2 SER 20 2HB SER 20 15.522 3.958 -1.921 169 HB3 SER 20 1HB SER 20 14.633 2.531 -1.399 170 HG SER 20 HG SER 20 13.480 4.521 -3.051 171 H GLU 21 H GLU 21 12.270 6.186 -1.400 172 HA GLU 21 HA GLU 21 14.231 8.374 -1.447 173 HB2 GLU 21 2HB GLU 21 11.415 8.247 -2.618 174 HB3 GLU 21 1HB GLU 21 12.457 9.662 -2.694 175 HG2 GLU 21 2HG GLU 21 12.501 8.548 -4.821 176 HG3 GLU 21 1HG GLU 21 14.080 8.360 -4.055 177 H SER 22 H SER 22 14.403 9.126 0.603 178 HA SER 22 HA SER 22 12.143 9.715 2.296 179 HB2 SER 22 2HB SER 22 14.351 9.038 3.231 180 HB3 SER 22 1HB SER 22 15.069 10.516 2.597 181 HG SER 22 HG SER 22 12.895 10.452 4.432 182 H ARG 23 H ARG 23 10.820 11.298 1.627 183 HA ARG 23 HA ARG 23 9.957 13.199 0.786 184 HB2 ARG 23 2HB ARG 23 10.666 15.275 1.936 185 HB3 ARG 23 1HB ARG 23 10.440 13.924 3.036 186 HG2 ARG 23 2HG ARG 23 12.892 13.630 3.162 187 HG3 ARG 23 1HG ARG 23 13.105 14.996 2.068 188 HD2 ARG 23 2HD ARG 23 11.970 16.465 3.758 189 HD3 ARG 23 1HD ARG 23 11.903 15.077 4.858 190 HE ARG 23 HE ARG 23 14.540 15.753 3.824 191 HH11 ARG 23 1HH1 ARG 23 12.304 16.226 6.502 192 HH12 ARG 23 2HH1 ARG 23 13.556 16.692 7.605 193 HH21 ARG 23 1HH2 ARG 23 16.158 16.306 5.320 194 HH22 ARG 23 2HH2 ARG 23 15.719 16.736 6.946 195 H GLU 24 H GLU 24 11.320 15.822 0.246 196 HA GLU 24 HA GLU 24 12.090 16.978 -1.529 197 HB2 GLU 24 2HB GLU 24 14.219 14.898 -1.081 198 HB3 GLU 24 1HB GLU 24 14.343 15.877 -2.536 199 HG2 GLU 24 2HG GLU 24 15.698 16.850 -0.779 200 HG3 GLU 24 1HG GLU 24 14.369 17.931 -1.176 201 H GLY 25 H GLY 25 9.959 15.460 -2.180 202 HA2 GLY 25 2HA GLY 25 9.434 15.538 -4.758 203 HA3 GLY 25 1HA GLY 25 10.449 14.099 -4.747 204 H MET 26 H MET 26 9.529 13.258 -2.103 205 HA MET 26 HA MET 26 7.053 11.908 -2.908 206 HB2 MET 26 2HB MET 26 8.990 11.474 -0.600 207 HB3 MET 26 1HB MET 26 7.509 10.548 -0.805 208 HG2 MET 26 2HG MET 26 9.762 10.638 -2.821 209 HG3 MET 26 1HG MET 26 9.524 9.367 -1.617 210 HE1 MET 26 3HE MET 26 9.773 8.666 -4.721 211 HE2 MET 26 1HE MET 26 8.442 7.532 -4.923 212 HE3 MET 26 2HE MET 26 9.462 7.444 -3.485 213 H THR 27 H THR 27 5.306 13.156 -2.580 214 HA THR 27 HA THR 27 5.024 15.071 -0.415 215 HB THR 27 HB THR 27 2.956 14.189 -2.490 216 HG1 THR 27 HG1 THR 27 4.676 14.927 -3.654 217 HG21 THR 27 3HG2 THR 27 3.160 16.839 -1.004 218 HG22 THR 27 1HG2 THR 27 1.967 15.573 -0.680 219 HG23 THR 27 2HG2 THR 27 1.963 16.418 -2.228 220 H SER 28 H SER 28 3.032 15.071 0.991 221 HA SER 28 HA SER 28 2.303 12.489 2.099 222 HB2 SER 28 2HB SER 28 0.932 13.867 3.693 223 HB3 SER 28 1HB SER 28 2.623 14.364 3.646 224 HG SER 28 HG SER 28 0.345 15.657 2.614 225 H ASP 29 H ASP 29 1.471 11.741 0.032 226 HA ASP 29 HA ASP 29 -1.090 12.711 -0.964 227 HB2 ASP 29 2HB ASP 29 0.471 10.226 -1.808 228 HB3 ASP 29 1HB ASP 29 -0.806 11.032 -2.712 229 H THR 30 H THR 30 -3.004 11.439 -0.978 230 HA THR 30 HA THR 30 -3.055 8.966 0.637 231 HB THR 30 HB THR 30 -4.101 10.609 2.060 232 HG1 THR 30 HG1 THR 30 -5.156 8.579 1.908 233 HG21 THR 30 3HG2 THR 30 -6.066 11.954 1.435 234 HG22 THR 30 1HG2 THR 30 -5.954 11.373 -0.228 235 HG23 THR 30 2HG2 THR 30 -4.667 12.379 0.445 236 H TYR 31 H TYR 31 -3.118 7.518 -0.971 237 HA TYR 31 HA TYR 31 -4.777 7.877 -3.362 238 HB2 TYR 31 2HB TYR 31 -3.081 5.468 -2.553 239 HB3 TYR 31 1HB TYR 31 -3.677 5.851 -4.165 240 HD1 TYR 31 HD1 TYR 31 -2.839 8.335 -5.020 241 HD2 TYR 31 HD2 TYR 31 -0.807 5.878 -2.176 242 HE1 TYR 31 HE1 TYR 31 -0.722 9.475 -5.536 243 HE2 TYR 31 HE2 TYR 31 1.302 7.014 -2.695 244 HH TYR 31 HH TYR 31 1.455 9.910 -4.434 245 H THR 32 H THR 32 -6.894 7.170 -3.352 246 HA THR 32 HA THR 32 -7.713 5.143 -1.336 247 HB THR 32 HB THR 32 -9.942 6.268 -1.285 248 HG1 THR 32 HG1 THR 32 -8.687 8.350 -2.782 249 HG21 THR 32 3HG2 THR 32 -9.266 8.270 -0.001 250 HG22 THR 32 1HG2 THR 32 -7.622 8.119 -0.627 251 HG23 THR 32 2HG2 THR 32 -8.284 6.870 0.431 252 H LYS 33 H LYS 33 -8.735 6.497 -4.553 253 HA LYS 33 HA LYS 33 -10.370 4.015 -4.906 254 HB2 LYS 33 2HB LYS 33 -12.232 5.419 -5.654 255 HB3 LYS 33 1HB LYS 33 -11.722 5.913 -4.044 256 HG2 LYS 33 2HG LYS 33 -10.367 7.767 -5.157 257 HG3 LYS 33 1HG LYS 33 -11.161 7.325 -6.668 258 HD2 LYS 33 2HD LYS 33 -12.491 9.098 -5.937 259 HD3 LYS 33 1HD LYS 33 -13.395 7.716 -5.320 260 HE2 LYS 33 2HE LYS 33 -11.481 9.462 -3.728 261 HE3 LYS 33 1HE LYS 33 -13.239 9.511 -3.645 262 HZ1 LYS 33 3HZ LYS 33 -13.170 7.197 -2.827 263 HZ2 LYS 33 1HZ LYS 33 -12.387 8.285 -1.805 264 HZ3 LYS 33 2HZ LYS 33 -11.484 7.275 -2.803 265 H VAL 34 H VAL 34 -7.812 4.663 -6.164 266 HA VAL 34 HA VAL 34 -6.671 4.987 -8.081 267 HB VAL 34 HB VAL 34 -9.273 4.119 -9.437 268 HG11 VAL 34 1HG1 VAL 34 -7.874 5.329 -11.055 269 HG12 VAL 34 2HG1 VAL 34 -7.887 3.607 -11.441 270 HG13 VAL 34 3HG1 VAL 34 -6.482 4.323 -10.643 271 HG21 VAL 34 3HG2 VAL 34 -8.186 1.891 -9.629 272 HG22 VAL 34 1HG2 VAL 34 -8.395 2.384 -7.948 273 HG23 VAL 34 2HG2 VAL 34 -6.805 2.494 -8.709 274 H ASP 35 H ASP 35 -6.385 7.076 -7.728 275 HA ASP 35 HA ASP 35 -8.497 9.009 -7.815 276 HB2 ASP 35 2HB ASP 35 -5.584 9.328 -6.981 277 HB3 ASP 35 1HB ASP 35 -6.917 10.420 -6.598 278 H ASP 36 H ASP 36 -5.091 9.480 -8.935 279 HA ASP 36 HA ASP 36 -5.783 10.044 -11.644 280 HB2 ASP 36 2HB ASP 36 -6.790 12.074 -10.537 281 HB3 ASP 36 1HB ASP 36 -5.195 12.518 -9.942 282 H SER 37 H SER 37 -3.451 11.668 -9.443 283 HA SER 37 HA SER 37 -1.296 11.211 -11.367 284 HB2 SER 37 2HB SER 37 -1.362 12.959 -8.867 285 HB3 SER 37 1HB SER 37 -0.090 12.950 -10.091 286 HG SER 37 HG SER 37 -2.735 13.402 -10.892 287 H GLN 38 H GLN 38 -1.509 8.889 -10.688 288 HA GLN 38 HA GLN 38 0.692 8.213 -8.927 289 HB2 GLN 38 2HB GLN 38 -0.665 6.470 -7.761 290 HB3 GLN 38 1HB GLN 38 -1.261 8.095 -7.433 291 HG2 GLN 38 2HG GLN 38 -3.079 7.769 -9.056 292 HG3 GLN 38 1HG GLN 38 -2.483 6.150 -9.422 293 HE21 GLN 38 1HE2 GLN 38 -1.839 5.563 -6.649 294 HE22 GLN 38 2HE2 GLN 38 -3.333 5.317 -5.834 295 HA PRO 39 HA PRO 39 1.251 5.015 -12.116 296 HB2 PRO 39 2HB PRO 39 2.389 3.278 -9.953 297 HB3 PRO 39 1HB PRO 39 3.157 3.887 -11.434 298 HG2 PRO 39 2HG PRO 39 3.832 4.838 -9.027 299 HG3 PRO 39 1HG PRO 39 3.789 5.888 -10.464 300 HD2 PRO 39 2HD PRO 39 1.738 5.626 -8.266 301 HD3 PRO 39 1HD PRO 39 2.361 7.085 -9.062 302 H ALA 40 H ALA 40 0.192 3.178 -12.811 303 HA ALA 40 HA ALA 40 -2.132 2.139 -11.629 304 HB1 ALA 40 3HB ALA 40 -1.631 1.943 -14.033 305 HB2 ALA 40 1HB ALA 40 -1.999 0.364 -13.334 306 HB3 ALA 40 2HB ALA 40 -0.325 0.811 -13.676 307 H PHE 41 H PHE 41 1.190 1.328 -11.201 308 HA PHE 41 HA PHE 41 1.355 -1.079 -9.918 309 HB2 PHE 41 2HB PHE 41 2.692 1.586 -9.285 310 HB3 PHE 41 1HB PHE 41 3.178 0.089 -8.520 311 HD1 PHE 41 HD2 PHE 41 2.736 1.569 -11.959 312 HD2 PHE 41 HD1 PHE 41 4.933 -1.144 -9.489 313 HE1 PHE 41 HE2 PHE 41 4.307 1.163 -13.799 314 HE2 PHE 41 HE1 PHE 41 6.505 -1.536 -11.333 315 HZ PHE 41 HZ PHE 41 6.199 -0.386 -13.490 316 H ILE 42 H ILE 42 0.491 2.047 -8.440 317 HA ILE 42 HA ILE 42 -0.048 0.999 -5.817 318 HB ILE 42 HB ILE 42 -0.762 3.713 -7.032 319 HG12 ILE 42 2HG1 ILE 42 1.685 3.331 -7.069 320 HG13 ILE 42 1HG1 ILE 42 1.278 4.575 -5.893 321 HG21 ILE 42 1HG2 ILE 42 -0.948 4.534 -4.701 322 HG22 ILE 42 2HG2 ILE 42 -0.690 2.894 -4.099 323 HG23 ILE 42 3HG2 ILE 42 -2.131 3.273 -5.046 324 HD11 ILE 42 3HD1 ILE 42 1.529 2.930 -4.086 325 HD12 ILE 42 1HD1 ILE 42 3.002 3.101 -5.043 326 HD13 ILE 42 2HD1 ILE 42 1.957 1.701 -5.278 327 H ASN 43 H ASN 43 -1.928 1.480 -8.736 328 HA ASN 43 HA ASN 43 -4.522 1.690 -7.568 329 HB2 ASN 43 2HB ASN 43 -3.630 1.014 -10.392 330 HB3 ASN 43 1HB ASN 43 -5.312 1.213 -9.928 331 HD21 ASN 43 1HD2 ASN 43 -4.776 3.435 -8.070 332 HD22 ASN 43 2HD2 ASN 43 -4.460 4.794 -9.070 333 H ASP 44 H ASP 44 -2.562 -1.050 -8.651 334 HA ASP 44 HA ASP 44 -4.526 -3.072 -8.624 335 HB2 ASP 44 2HB ASP 44 -2.282 -3.488 -9.539 336 HB3 ASP 44 1HB ASP 44 -1.555 -3.257 -7.953 337 H ILE 45 H ILE 45 -2.443 -1.822 -6.042 338 HA ILE 45 HA ILE 45 -3.302 -3.573 -3.977 339 HB ILE 45 HB ILE 45 -2.144 -0.775 -3.597 340 HG12 ILE 45 2HG1 ILE 45 -0.568 -3.374 -3.901 341 HG13 ILE 45 1HG1 ILE 45 -0.732 -2.158 -5.163 342 HG21 ILE 45 1HG2 ILE 45 -2.051 -3.221 -1.775 343 HG22 ILE 45 2HG2 ILE 45 -3.032 -1.773 -1.525 344 HG23 ILE 45 3HG2 ILE 45 -1.274 -1.668 -1.456 345 HD11 ILE 45 3HD1 ILE 45 0.443 -0.533 -3.737 346 HD12 ILE 45 1HD1 ILE 45 1.408 -1.975 -4.053 347 HD13 ILE 45 2HD1 ILE 45 0.620 -1.773 -2.490 348 H LEU 46 H LEU 46 -4.373 -0.358 -5.038 349 HA LEU 46 HA LEU 46 -6.167 0.278 -2.960 350 HB2 LEU 46 2HB LEU 46 -6.155 1.095 -5.890 351 HB3 LEU 46 1HB LEU 46 -7.291 1.763 -4.725 352 HG LEU 46 HG LEU 46 -4.263 2.054 -4.613 353 HD11 LEU 46 1HD1 LEU 46 -6.384 4.135 -5.235 354 HD12 LEU 46 2HD1 LEU 46 -5.245 3.430 -6.387 355 HD13 LEU 46 3HD1 LEU 46 -4.651 4.428 -5.063 356 HD21 LEU 46 3HD2 LEU 46 -4.664 3.582 -2.721 357 HD22 LEU 46 1HD2 LEU 46 -5.185 1.938 -2.362 358 HD23 LEU 46 2HD2 LEU 46 -6.382 3.175 -2.754 359 H LYS 47 H LYS 47 -6.604 -1.614 -5.896 360 HA LYS 47 HA LYS 47 -9.485 -1.895 -5.515 361 HB2 LYS 47 2HB LYS 47 -7.639 -3.063 -7.635 362 HB3 LYS 47 1HB LYS 47 -9.396 -3.217 -7.622 363 HG2 LYS 47 2HG LYS 47 -9.517 -0.673 -7.721 364 HG3 LYS 47 1HG LYS 47 -7.770 -0.685 -7.984 365 HD2 LYS 47 2HD LYS 47 -8.885 -0.512 -10.134 366 HD3 LYS 47 1HD LYS 47 -8.120 -2.100 -10.022 367 HE2 LYS 47 2HE LYS 47 -10.360 -3.042 -9.324 368 HE3 LYS 47 1HE LYS 47 -11.070 -1.461 -9.657 369 HZ1 LYS 47 3HZ LYS 47 -11.348 -2.961 -11.508 370 HZ2 LYS 47 1HZ LYS 47 -9.683 -3.198 -11.622 371 HZ3 LYS 47 2HZ LYS 47 -10.344 -1.683 -11.955 372 H VAL 48 H VAL 48 -6.921 -3.406 -4.066 373 HA VAL 48 HA VAL 48 -8.048 -6.075 -3.893 374 HB VAL 48 HB VAL 48 -6.023 -4.755 -2.004 375 HG11 VAL 48 1HG1 VAL 48 -7.131 -6.717 -0.999 376 HG12 VAL 48 2HG1 VAL 48 -5.432 -7.052 -1.328 377 HG13 VAL 48 3HG1 VAL 48 -6.683 -7.705 -2.393 378 HG21 VAL 48 3HG2 VAL 48 -5.119 -4.782 -4.275 379 HG22 VAL 48 1HG2 VAL 48 -5.485 -6.501 -4.440 380 HG23 VAL 48 2HG2 VAL 48 -4.271 -5.960 -3.276 381 H GLU 49 H GLU 49 -9.758 -6.602 -2.672 382 HA GLU 49 HA GLU 49 -11.389 -4.827 -1.321 383 HB2 GLU 49 2HB GLU 49 -11.167 -7.851 -1.107 384 HB3 GLU 49 1HB GLU 49 -12.399 -6.952 -0.235 385 HG2 GLU 49 2HG GLU 49 -13.320 -7.928 -2.261 386 HG3 GLU 49 1HG GLU 49 -13.363 -6.172 -2.359 387 H GLY 50 H GLY 50 -11.422 -3.952 0.686 388 HA2 GLY 50 2HA GLY 50 -11.186 -4.038 3.047 389 HA3 GLY 50 1HA GLY 50 -9.838 -5.146 2.877 390 H VAL 51 H VAL 51 -8.534 -3.497 0.778 391 HA VAL 51 HA VAL 51 -6.941 -1.800 2.438 392 HB VAL 51 HB VAL 51 -7.076 -1.890 -0.622 393 HG11 VAL 51 1HG1 VAL 51 -6.019 0.208 0.143 394 HG12 VAL 51 2HG1 VAL 51 -4.820 -0.858 -0.589 395 HG13 VAL 51 3HG1 VAL 51 -4.908 -0.704 1.168 396 HG21 VAL 51 3HG2 VAL 51 -5.088 -3.349 -0.480 397 HG22 VAL 51 1HG2 VAL 51 -6.471 -4.072 0.346 398 HG23 VAL 51 2HG2 VAL 51 -5.178 -3.317 1.283 399 H LYS 52 H LYS 52 -7.647 0.059 3.269 400 HA LYS 52 HA LYS 52 -9.977 1.420 2.242 401 HB2 LYS 52 2HB LYS 52 -9.680 1.067 4.659 402 HB3 LYS 52 1HB LYS 52 -8.189 2.004 4.639 403 HG2 LYS 52 2HG LYS 52 -9.385 4.042 4.148 404 HG3 LYS 52 1HG LYS 52 -10.900 3.166 3.910 405 HD2 LYS 52 2HD LYS 52 -9.385 3.347 6.552 406 HD3 LYS 52 1HD LYS 52 -10.782 4.336 6.117 407 HE2 LYS 52 2HE LYS 52 -10.764 1.311 6.398 408 HE3 LYS 52 1HE LYS 52 -11.455 2.458 7.549 409 HZ1 LYS 52 3HZ LYS 52 -12.984 3.192 5.799 410 HZ2 LYS 52 1HZ LYS 52 -13.180 1.555 6.157 411 HZ3 LYS 52 2HZ LYS 52 -12.368 2.022 4.753 412 H SER 53 H SER 53 -6.613 2.430 3.000 413 HA SER 53 HA SER 53 -6.433 3.962 0.563 414 HB2 SER 53 2HB SER 53 -7.631 5.571 2.032 415 HB3 SER 53 1HB SER 53 -6.354 5.434 3.238 416 HG SER 53 HG SER 53 -6.054 6.412 0.582 417 H ILE 54 H ILE 54 -4.350 4.786 0.216 418 HA ILE 54 HA ILE 54 -2.115 3.523 1.660 419 HB ILE 54 HB ILE 54 -2.460 4.215 -1.308 420 HG12 ILE 54 2HG1 ILE 54 -2.139 1.516 0.076 421 HG13 ILE 54 1HG1 ILE 54 -3.618 2.137 -0.647 422 HG21 ILE 54 1HG2 ILE 54 -0.138 4.669 -0.636 423 HG22 ILE 54 2HG2 ILE 54 -0.230 3.291 -1.730 424 HG23 ILE 54 3HG2 ILE 54 0.006 3.028 -0.000 425 HD11 ILE 54 3HD1 ILE 54 -2.626 0.517 -2.092 426 HD12 ILE 54 1HD1 ILE 54 -1.087 1.375 -2.092 427 HD13 ILE 54 2HD1 ILE 54 -2.505 2.100 -2.855 428 H PHE 55 H PHE 55 -1.944 5.287 3.093 429 HA PHE 55 HA PHE 55 -1.818 8.023 2.103 430 HB2 PHE 55 2HB PHE 55 -2.979 7.479 4.250 431 HB3 PHE 55 1HB PHE 55 -1.447 6.961 4.941 432 HD1 PHE 55 HD1 PHE 55 -2.917 9.961 3.208 433 HD2 PHE 55 HD2 PHE 55 -0.305 8.538 6.273 434 HE1 PHE 55 HE1 PHE 55 -2.484 12.271 3.912 435 HE2 PHE 55 HE2 PHE 55 0.125 10.853 6.974 436 HZ PHE 55 HZ PHE 55 -0.962 12.726 5.795 437 H HIS 56 H HIS 56 0.003 8.117 0.881 438 HA HIS 56 HA HIS 56 2.622 7.244 1.803 439 HB2 HIS 56 2HB HIS 56 2.158 6.982 -0.543 440 HB3 HIS 56 1HB HIS 56 1.537 8.620 -0.691 441 HD1 HIS 56 HD1 HIS 56 3.051 9.848 -2.152 442 HD2 HIS 56 HD2 HIS 56 5.161 7.395 0.455 443 HE1 HIS 56 HE1 HIS 56 5.464 10.291 -2.633 444 HE2 HIS 56 HE2 HIS 56 6.717 8.647 -1.188 445 H VAL 57 H VAL 57 3.829 8.532 3.160 446 HA VAL 57 HA VAL 57 3.613 11.465 2.957 447 HB VAL 57 HB VAL 57 1.956 11.014 4.639 448 HG11 VAL 57 1HG1 VAL 57 2.319 9.685 6.667 449 HG12 VAL 57 2HG1 VAL 57 3.935 9.259 6.096 450 HG13 VAL 57 3HG1 VAL 57 2.515 8.710 5.203 451 HG21 VAL 57 3HG2 VAL 57 2.836 12.143 6.636 452 HG22 VAL 57 1HG2 VAL 57 3.416 12.918 5.157 453 HG23 VAL 57 2HG2 VAL 57 4.486 11.858 6.078 454 H MET 58 H MET 58 5.500 12.390 3.003 455 HA MET 58 HA MET 58 7.693 12.841 3.066 456 HB2 MET 58 2HB MET 58 7.395 12.700 5.532 457 HB3 MET 58 1HB MET 58 7.772 10.984 5.486 458 HG2 MET 58 2HG MET 58 10.049 11.500 4.723 459 HG3 MET 58 1HG MET 58 9.663 13.225 4.722 460 HE1 MET 58 3HE MET 58 11.861 13.642 6.309 461 HE2 MET 58 1HE MET 58 12.175 11.906 6.281 462 HE3 MET 58 2HE MET 58 12.117 12.765 7.819 463 H ASP 59 H ASP 59 7.855 9.456 4.129 464 HA ASP 59 HA ASP 59 8.618 8.486 1.476 465 HB2 ASP 59 2HB ASP 59 10.566 7.187 2.474 466 HB3 ASP 59 1HB ASP 59 10.803 8.921 2.351 467 H PHE 60 H PHE 60 7.572 7.964 4.756 468 HA PHE 60 HA PHE 60 7.240 5.097 4.462 469 HB2 PHE 60 2HB PHE 60 6.588 5.123 6.819 470 HB3 PHE 60 1HB PHE 60 8.079 6.016 6.601 471 HD1 PHE 60 HD2 PHE 60 7.969 8.590 6.601 472 HD2 PHE 60 HD1 PHE 60 4.712 6.145 7.881 473 HE1 PHE 60 HE2 PHE 60 6.974 10.514 7.764 474 HE2 PHE 60 HE1 PHE 60 3.720 8.066 9.042 475 HZ PHE 60 HZ PHE 60 4.834 10.262 8.962 476 H ILE 61 H ILE 61 5.342 4.145 3.941 477 HA ILE 61 HA ILE 61 3.053 5.917 3.367 478 HB ILE 61 HB ILE 61 3.508 3.084 2.322 479 HG12 ILE 61 2HG1 ILE 61 4.052 5.737 0.890 480 HG13 ILE 61 1HG1 ILE 61 5.280 4.598 1.433 481 HG21 ILE 61 1HG2 ILE 61 1.156 3.819 2.397 482 HG22 ILE 61 2HG2 ILE 61 1.720 3.654 0.737 483 HG23 ILE 61 3HG2 ILE 61 1.564 5.257 1.456 484 HD11 ILE 61 3HD1 ILE 61 4.424 2.925 -0.149 485 HD12 ILE 61 1HD1 ILE 61 4.908 4.416 -0.958 486 HD13 ILE 61 2HD1 ILE 61 3.200 4.075 -0.695 487 H SER 62 H SER 62 1.632 5.926 4.969 488 HA SER 62 HA SER 62 1.094 3.702 6.718 489 HB2 SER 62 2HB SER 62 -0.460 6.319 6.424 490 HB3 SER 62 1HB SER 62 -0.429 5.239 7.823 491 HG SER 62 HG SER 62 1.115 7.306 7.381 492 H VAL 63 H VAL 63 0.452 2.134 5.035 493 HA VAL 63 HA VAL 63 -1.949 2.612 3.487 494 HB VAL 63 HB VAL 63 -0.492 -0.044 3.918 495 HG11 VAL 63 1HG1 VAL 63 -1.666 -0.776 1.856 496 HG12 VAL 63 2HG1 VAL 63 -2.539 0.759 1.803 497 HG13 VAL 63 3HG1 VAL 63 -2.807 -0.365 3.138 498 HG21 VAL 63 3HG2 VAL 63 -0.197 1.968 1.653 499 HG22 VAL 63 1HG2 VAL 63 0.545 0.366 1.708 500 HG23 VAL 63 2HG2 VAL 63 1.013 1.595 2.883 501 H ASP 64 H ASP 64 -3.569 3.045 4.887 502 HA ASP 64 HA ASP 64 -4.204 1.334 7.149 503 HB2 ASP 64 2HB ASP 64 -6.100 2.950 7.495 504 HB3 ASP 64 1HB ASP 64 -4.514 3.706 7.454 505 H LYS 65 H LYS 65 -6.206 0.260 7.409 506 HA LYS 65 HA LYS 65 -7.571 -0.616 4.930 507 HB2 LYS 65 2HB LYS 65 -7.318 -2.979 5.606 508 HB3 LYS 65 1HB LYS 65 -5.731 -2.241 5.386 509 HG2 LYS 65 2HG LYS 65 -5.270 -2.215 7.697 510 HG3 LYS 65 1HG LYS 65 -6.974 -2.333 8.139 511 HD2 LYS 65 2HD LYS 65 -6.958 -4.688 7.201 512 HD3 LYS 65 1HD LYS 65 -5.203 -4.544 7.045 513 HE2 LYS 65 2HE LYS 65 -4.955 -4.270 9.437 514 HE3 LYS 65 1HE LYS 65 -6.702 -4.153 9.658 515 HZ1 LYS 65 3HZ LYS 65 -5.292 -6.559 8.659 516 HZ2 LYS 65 1HZ LYS 65 -6.937 -6.426 9.020 517 HZ3 LYS 65 2HZ LYS 65 -5.791 -6.320 10.255 518 H GLU 66 H GLU 66 -9.381 -2.193 5.583 519 HA GLU 66 HA GLU 66 -10.910 -1.413 7.935 520 HB2 GLU 66 2HB GLU 66 -11.344 -3.615 5.857 521 HB3 GLU 66 1HB GLU 66 -12.504 -3.147 7.102 522 HG2 GLU 66 2HG GLU 66 -12.782 -0.951 6.095 523 HG3 GLU 66 1HG GLU 66 -11.502 -1.289 4.928 524 H ASN 67 H ASN 67 -11.172 -2.778 9.765 525 HA ASN 67 HA ASN 67 -8.805 -3.849 10.737 526 HB2 ASN 67 2HB ASN 67 -10.963 -3.018 11.971 527 HB3 ASN 67 1HB ASN 67 -11.489 -4.687 11.880 528 HD21 ASN 67 1HD2 ASN 67 -8.674 -5.732 12.377 529 HD22 ASN 67 2HD2 ASN 67 -8.389 -5.432 14.045 530 H ASP 68 H ASP 68 -11.527 -5.552 9.255 531 HA ASP 68 HA ASP 68 -10.765 -8.216 9.918 532 HB2 ASP 68 2HB ASP 68 -12.669 -7.080 7.839 533 HB3 ASP 68 1HB ASP 68 -12.421 -8.813 8.029 534 H ALA 69 H ALA 69 -9.913 -6.112 7.236 535 HA ALA 69 HA ALA 69 -9.210 -7.935 5.241 536 HB1 ALA 69 3HB ALA 69 -9.448 -5.521 4.832 537 HB2 ALA 69 1HB ALA 69 -7.894 -6.114 4.238 538 HB3 ALA 69 2HB ALA 69 -7.976 -5.204 5.750 539 H ASN 70 H ASN 70 -7.785 -9.581 5.401 540 HA ASN 70 HA ASN 70 -5.581 -9.539 7.296 541 HB2 ASN 70 2HB ASN 70 -6.432 -11.655 5.267 542 HB3 ASN 70 1HB ASN 70 -5.200 -11.877 6.509 543 HD21 ASN 70 1HD2 ASN 70 -5.850 -12.109 8.670 544 HD22 ASN 70 2HD2 ASN 70 -7.484 -12.457 9.105 545 H TRP 71 H TRP 71 -3.559 -8.941 6.824 546 HA TRP 71 HA TRP 71 -2.808 -7.965 4.248 547 HB2 TRP 71 2HB TRP 71 -1.180 -8.446 6.768 548 HB3 TRP 71 1HB TRP 71 -0.535 -7.671 5.321 549 HD1 TRP 71 HD1 TRP 71 -2.259 -6.832 8.515 550 HE1 TRP 71 HE1 TRP 71 -2.942 -4.358 8.512 551 HE3 TRP 71 HE3 TRP 71 -1.591 -5.761 3.542 552 HZ2 TRP 71 HZ2 TRP 71 -3.187 -2.245 6.696 553 HZ3 TRP 71 HZ3 TRP 71 -2.083 -3.476 2.760 554 HH2 TRP 71 HH2 TRP 71 -2.866 -1.758 4.313 555 H GLU 72 H GLU 72 -2.751 -11.109 5.563 556 HA GLU 72 HA GLU 72 -0.459 -12.254 4.407 557 HB2 GLU 72 2HB GLU 72 -1.621 -14.421 4.704 558 HB3 GLU 72 1HB GLU 72 -1.795 -13.391 6.123 559 HG2 GLU 72 2HG GLU 72 -4.065 -12.746 5.368 560 HG3 GLU 72 1HG GLU 72 -3.895 -13.810 3.976 561 H THR 73 H THR 73 -3.549 -11.404 3.003 562 HA THR 73 HA THR 73 -2.973 -12.796 0.482 563 HB THR 73 HB THR 73 -5.237 -13.095 1.424 564 HG1 THR 73 HG1 THR 73 -6.083 -11.822 -0.769 565 HG21 THR 73 3HG2 THR 73 -6.920 -11.288 1.325 566 HG22 THR 73 1HG2 THR 73 -5.666 -10.131 0.875 567 HG23 THR 73 2HG2 THR 73 -5.635 -10.892 2.468 568 H VAL 74 H VAL 74 -3.446 -9.528 1.753 569 HA VAL 74 HA VAL 74 -3.393 -8.085 -0.696 570 HB VAL 74 HB VAL 74 -2.619 -7.046 2.079 571 HG11 VAL 74 1HG1 VAL 74 -3.596 -5.535 -0.379 572 HG12 VAL 74 2HG1 VAL 74 -1.954 -5.518 0.262 573 HG13 VAL 74 3HG1 VAL 74 -3.270 -4.821 1.207 574 HG21 VAL 74 3HG2 VAL 74 -5.379 -7.092 0.792 575 HG22 VAL 74 1HG2 VAL 74 -4.967 -6.316 2.326 576 HG23 VAL 74 2HG2 VAL 74 -4.862 -8.070 2.166 577 H LEU 75 H LEU 75 -0.863 -8.878 1.661 578 HA LEU 75 HA LEU 75 1.145 -7.154 0.744 579 HB2 LEU 75 2HB LEU 75 0.940 -8.427 2.993 580 HB3 LEU 75 1HB LEU 75 1.753 -9.752 2.193 581 HG LEU 75 HG LEU 75 3.015 -6.980 2.417 582 HD11 LEU 75 1HD1 LEU 75 3.352 -9.282 4.377 583 HD12 LEU 75 2HD1 LEU 75 2.536 -7.749 4.696 584 HD13 LEU 75 3HD1 LEU 75 4.269 -7.769 4.385 585 HD21 LEU 75 3HD2 LEU 75 4.082 -8.422 0.737 586 HD22 LEU 75 1HD2 LEU 75 4.295 -9.701 1.939 587 HD23 LEU 75 2HD2 LEU 75 5.156 -8.169 2.108 588 HA PRO 76 HA PRO 76 2.859 -11.153 -1.946 589 HB2 PRO 76 2HB PRO 76 -0.007 -11.791 -2.757 590 HB3 PRO 76 1HB PRO 76 1.422 -12.854 -2.755 591 HG2 PRO 76 2HG PRO 76 -0.338 -13.025 -0.802 592 HG3 PRO 76 1HG PRO 76 1.404 -13.113 -0.444 593 HD2 PRO 76 2HD PRO 76 -0.511 -10.862 0.051 594 HD3 PRO 76 1HD PRO 76 0.921 -11.343 0.978 595 H LYS 77 H LYS 77 -0.073 -9.224 -2.670 596 HA LYS 77 HA LYS 77 0.709 -8.599 -5.385 597 HB2 LYS 77 2HB LYS 77 -1.521 -7.641 -3.571 598 HB3 LYS 77 1HB LYS 77 -1.200 -6.811 -5.092 599 HG2 LYS 77 2HG LYS 77 -1.536 -8.941 -6.317 600 HG3 LYS 77 1HG LYS 77 -1.932 -9.743 -4.795 601 HD2 LYS 77 2HD LYS 77 -3.983 -8.592 -4.568 602 HD3 LYS 77 1HD LYS 77 -3.479 -7.278 -5.635 603 HE2 LYS 77 2HE LYS 77 -4.102 -10.108 -6.553 604 HE3 LYS 77 1HE LYS 77 -5.196 -8.728 -6.669 605 HZ1 LYS 77 3HZ LYS 77 -3.447 -7.605 -8.010 606 HZ2 LYS 77 1HZ LYS 77 -4.122 -8.968 -8.751 607 HZ3 LYS 77 2HZ LYS 77 -2.594 -9.060 -8.046 608 H VAL 78 H VAL 78 0.847 -6.912 -2.271 609 HA VAL 78 HA VAL 78 1.663 -4.361 -3.158 610 HB VAL 78 HB VAL 78 2.254 -5.760 -0.508 611 HG11 VAL 78 1HG1 VAL 78 2.711 -3.518 0.429 612 HG12 VAL 78 2HG1 VAL 78 2.554 -2.807 -1.179 613 HG13 VAL 78 3HG1 VAL 78 3.863 -3.942 -0.838 614 HG21 VAL 78 3HG2 VAL 78 0.069 -3.761 -1.215 615 HG22 VAL 78 1HG2 VAL 78 0.369 -4.441 0.388 616 HG23 VAL 78 2HG2 VAL 78 -0.152 -5.489 -0.929 617 H GLU 79 H GLU 79 3.646 -7.016 -1.853 618 HA GLU 79 HA GLU 79 6.157 -5.895 -2.348 619 HB2 GLU 79 2HB GLU 79 5.714 -7.852 -0.841 620 HB3 GLU 79 1HB GLU 79 5.409 -8.854 -2.257 621 HG2 GLU 79 2HG GLU 79 7.749 -8.490 -2.999 622 HG3 GLU 79 1HG GLU 79 8.044 -7.520 -1.554 623 H ALA 80 H ALA 80 4.039 -7.926 -4.371 624 HA ALA 80 HA ALA 80 5.759 -8.407 -6.555 625 HB1 ALA 80 3HB ALA 80 3.718 -8.908 -7.850 626 HB2 ALA 80 1HB ALA 80 2.729 -8.158 -6.590 627 HB3 ALA 80 2HB ALA 80 3.640 -9.627 -6.242 628 H VAL 81 H VAL 81 3.765 -5.601 -5.752 629 HA VAL 81 HA VAL 81 3.815 -4.232 -8.218 630 HB VAL 81 HB VAL 81 3.494 -3.331 -5.341 631 HG11 VAL 81 1HG1 VAL 81 4.614 -1.417 -6.316 632 HG12 VAL 81 2HG1 VAL 81 2.906 -1.029 -6.104 633 HG13 VAL 81 3HG1 VAL 81 3.528 -1.434 -7.706 634 HG21 VAL 81 3HG2 VAL 81 1.183 -2.827 -6.063 635 HG22 VAL 81 1HG2 VAL 81 1.611 -4.507 -6.390 636 HG23 VAL 81 2HG2 VAL 81 1.576 -3.331 -7.705 637 H PHE 82 H PHE 82 6.037 -3.945 -5.432 638 HA PHE 82 HA PHE 82 7.948 -2.310 -6.814 639 HB2 PHE 82 2HB PHE 82 8.379 -3.987 -4.303 640 HB3 PHE 82 1HB PHE 82 9.316 -2.578 -4.812 641 HD1 PHE 82 HD1 PHE 82 8.044 -0.323 -5.044 642 HD2 PHE 82 HD2 PHE 82 6.475 -3.684 -2.928 643 HE1 PHE 82 HE1 PHE 82 6.412 1.136 -3.926 644 HE2 PHE 82 HE2 PHE 82 4.858 -2.219 -1.806 645 HZ PHE 82 HZ PHE 82 4.816 0.172 -2.322 646 H GLU 83 H GLU 83 7.490 -5.794 -6.592 647 HA GLU 83 HA GLU 83 10.216 -6.303 -7.648 648 HB2 GLU 83 2HB GLU 83 8.327 -8.232 -6.244 649 HB3 GLU 83 1HB GLU 83 9.970 -8.591 -6.759 650 HG2 GLU 83 2HG GLU 83 9.122 -6.669 -4.580 651 HG3 GLU 83 1HG GLU 83 9.904 -8.230 -4.362 652 H LEU 84 H LEU 84 7.568 -5.644 -9.190 653 HA LEU 84 HA LEU 84 7.285 -8.027 -10.861 654 HB2 LEU 84 2HB LEU 84 5.612 -6.792 -12.152 655 HB3 LEU 84 1HB LEU 84 5.281 -6.732 -10.439 656 HG LEU 84 HG LEU 84 6.369 -4.343 -10.534 657 HD11 LEU 84 1HD1 LEU 84 5.659 -4.671 -13.466 658 HD12 LEU 84 2HD1 LEU 84 7.272 -4.416 -12.800 659 HD13 LEU 84 3HD1 LEU 84 6.059 -3.147 -12.667 660 HD21 LEU 84 3HD2 LEU 84 4.008 -4.761 -10.027 661 HD22 LEU 84 1HD2 LEU 84 3.632 -4.859 -11.750 662 HD23 LEU 84 2HD2 LEU 84 4.181 -3.335 -11.046 663 H GLU 85 H GLU 85 9.713 -5.948 -10.639 664 HA GLU 85 HA GLU 85 10.316 -4.949 -13.138 665 HB2 GLU 85 2HB GLU 85 11.775 -5.385 -10.661 666 HB3 GLU 85 1HB GLU 85 12.783 -5.983 -11.967 667 HG2 GLU 85 2HG GLU 85 11.769 -3.173 -11.524 668 HG3 GLU 85 1HG GLU 85 13.437 -3.745 -11.631 669 H HIS 86 H HIS 86 11.694 -5.738 -14.831 670 HA HIS 86 HA HIS 86 10.758 -8.037 -16.049 671 HB2 HIS 86 2HB HIS 86 13.407 -6.613 -16.561 672 HB3 HIS 86 1HB HIS 86 12.649 -7.759 -17.666 673 HD1 HIS 86 HD1 HIS 86 10.867 -6.849 -19.226 674 HD2 HIS 86 HD2 HIS 86 11.988 -4.095 -16.324 675 HE1 HIS 86 HE1 HIS 86 9.760 -4.695 -19.887 676 HE2 HIS 86 HE2 HIS 86 10.564 -3.015 -18.191 677 H HIS 87 H HIS 87 10.972 -10.075 -15.419 678 HA HIS 87 HA HIS 87 12.646 -10.916 -13.334 679 HB2 HIS 87 2HB HIS 87 10.510 -12.020 -13.787 680 HB3 HIS 87 1HB HIS 87 11.073 -12.566 -15.361 681 HD1 HIS 87 HD1 HIS 87 12.430 -14.722 -15.433 682 HD2 HIS 87 HD2 HIS 87 11.671 -13.448 -11.556 683 HE1 HIS 87 HE1 HIS 87 13.142 -16.615 -13.961 684 HE2 HIS 87 HE2 HIS 87 12.440 -15.918 -11.651 685 H HIS 88 H HIS 88 12.858 -11.515 -16.829 686 HA HIS 88 HA HIS 88 14.453 -12.216 -18.243 687 HB2 HIS 88 2HB HIS 88 16.441 -11.588 -16.017 688 HB3 HIS 88 1HB HIS 88 16.878 -11.970 -17.678 689 HD1 HIS 88 HD1 HIS 88 15.997 -10.164 -19.506 690 HD2 HIS 88 HD2 HIS 88 16.000 -8.924 -15.545 691 HE1 HIS 88 HE1 HIS 88 15.839 -7.659 -19.590 692 HE2 HIS 88 HE2 HIS 88 15.930 -6.927 -17.187 693 H HIS 89 H HIS 89 15.511 -14.126 -18.881 694 HA HIS 89 HA HIS 89 15.457 -16.390 -17.047 695 HB2 HIS 89 2HB HIS 89 16.279 -16.088 -19.955 696 HB3 HIS 89 1HB HIS 89 16.590 -17.581 -19.064 697 HD1 HIS 89 HD1 HIS 89 14.531 -18.977 -18.320 698 HD2 HIS 89 HD2 HIS 89 13.589 -15.656 -20.636 699 HE1 HIS 89 HE1 HIS 89 12.138 -19.299 -19.015 700 HE2 HIS 89 HE2 HIS 89 11.551 -17.220 -20.316 701 H HIS 90 H HIS 90 17.660 -13.902 -17.833 702 HA HIS 90 HA HIS 90 20.002 -15.105 -16.657 703 HB2 HIS 90 2HB HIS 90 20.154 -13.132 -18.180 704 HB3 HIS 90 1HB HIS 90 19.253 -12.158 -17.022 705 HD1 HIS 90 HD1 HIS 90 22.505 -14.162 -17.091 706 HD2 HIS 90 HD2 HIS 90 20.898 -10.738 -15.363 707 HE1 HIS 90 HE1 HIS 90 24.383 -13.121 -15.785 708 HE2 HIS 90 HE2 HIS 90 23.417 -10.995 -14.838 709 H HIS 91 H HIS 91 18.846 -16.115 -14.923 710 HA HIS 91 HA HIS 91 18.872 -14.730 -12.433 711 HB2 HIS 91 2HB HIS 91 16.673 -13.893 -13.172 712 HB3 HIS 91 1HB HIS 91 16.146 -15.518 -13.590 713 HD1 HIS 91 HD1 HIS 91 15.046 -16.851 -11.780 714 HD2 HIS 91 HD2 HIS 91 16.965 -13.475 -10.304 715 HE1 HIS 91 HE1 HIS 91 14.365 -16.701 -9.369 716 HE2 HIS 91 HE2 HIS 91 15.654 -14.736 -8.462 Start of MODEL 6 1 H1 MET 1 1H MET 1 13.125 3.917 -5.472 2 H2 MET 1 2H MET 1 11.799 3.054 -6.068 3 H3 MET 1 3H MET 1 13.212 2.237 -5.630 4 HA MET 1 HA MET 1 12.934 2.786 -3.363 5 HB2 MET 1 2HB MET 1 10.519 4.332 -4.361 6 HB3 MET 1 1HB MET 1 10.682 3.856 -2.674 7 HG2 MET 1 2HG MET 1 11.376 6.162 -3.001 8 HG3 MET 1 1HG MET 1 12.743 5.169 -2.495 9 HE1 MET 1 3HE MET 1 14.509 6.987 -3.251 10 HE2 MET 1 1HE MET 1 13.170 8.056 -3.674 11 HE3 MET 1 2HE MET 1 14.478 7.778 -4.826 12 H LYS 2 H LYS 2 12.567 0.824 -2.602 13 HA LYS 2 HA LYS 2 10.013 -0.564 -3.217 14 HB2 LYS 2 2HB LYS 2 11.119 -2.697 -3.127 15 HB3 LYS 2 1HB LYS 2 12.048 -1.693 -4.232 16 HG2 LYS 2 2HG LYS 2 13.832 -1.432 -2.659 17 HG3 LYS 2 1HG LYS 2 12.848 -2.046 -1.328 18 HD2 LYS 2 2HD LYS 2 12.778 -4.280 -2.538 19 HD3 LYS 2 1HD LYS 2 13.973 -3.631 -3.666 20 HE2 LYS 2 2HE LYS 2 15.569 -3.316 -1.821 21 HE3 LYS 2 1HE LYS 2 14.361 -3.879 -0.660 22 HZ1 LYS 2 3HZ LYS 2 14.364 -6.026 -1.761 23 HZ2 LYS 2 1HZ LYS 2 15.912 -5.617 -1.224 24 HZ3 LYS 2 2HZ LYS 2 15.525 -5.486 -2.861 25 H ILE 3 H ILE 3 9.731 -2.401 -1.416 26 HA ILE 3 HA ILE 3 9.473 -1.088 1.128 27 HB ILE 3 HB ILE 3 9.145 -4.068 0.522 28 HG12 ILE 3 2HG1 ILE 3 7.079 -1.823 0.405 29 HG13 ILE 3 1HG1 ILE 3 7.648 -2.795 -0.941 30 HG21 ILE 3 1HG2 ILE 3 9.392 -3.580 2.939 31 HG22 ILE 3 2HG2 ILE 3 7.766 -4.151 2.571 32 HG23 ILE 3 3HG2 ILE 3 8.050 -2.434 2.855 33 HD11 ILE 3 3HD1 ILE 3 5.430 -3.459 -0.263 34 HD12 ILE 3 1HD1 ILE 3 5.991 -3.769 1.381 35 HD13 ILE 3 2HD1 ILE 3 6.573 -4.765 0.045 36 H ILE 4 H ILE 4 11.369 -0.608 2.119 37 HA ILE 4 HA ILE 4 13.611 -2.458 2.259 38 HB ILE 4 HB ILE 4 13.183 0.282 3.542 39 HG12 ILE 4 2HG1 ILE 4 13.322 0.404 1.092 40 HG13 ILE 4 1HG1 ILE 4 14.780 1.087 1.796 41 HG21 ILE 4 1HG2 ILE 4 15.617 0.293 4.041 42 HG22 ILE 4 2HG2 ILE 4 15.737 -1.377 3.485 43 HG23 ILE 4 3HG2 ILE 4 14.773 -0.992 4.911 44 HD11 ILE 4 3HD1 ILE 4 15.977 -1.007 1.278 45 HD12 ILE 4 1HD1 ILE 4 15.310 -0.225 -0.155 46 HD13 ILE 4 2HD1 ILE 4 14.508 -1.637 0.528 47 H SER 5 H SER 5 11.253 -1.014 4.522 48 HA SER 5 HA SER 5 11.303 -3.353 6.230 49 HB2 SER 5 2HB SER 5 11.890 -2.008 8.302 50 HB3 SER 5 1HB SER 5 13.231 -2.184 7.170 51 HG SER 5 HG SER 5 11.544 0.093 7.456 52 H ILE 6 H ILE 6 9.218 -3.690 6.730 53 HA ILE 6 HA ILE 6 7.257 -1.564 6.974 54 HB ILE 6 HB ILE 6 7.014 -4.530 7.702 55 HG12 ILE 6 2HG1 ILE 6 6.160 -3.143 5.108 56 HG13 ILE 6 1HG1 ILE 6 7.587 -4.156 5.277 57 HG21 ILE 6 1HG2 ILE 6 4.819 -2.469 7.230 58 HG22 ILE 6 2HG2 ILE 6 5.277 -3.152 8.790 59 HG23 ILE 6 3HG2 ILE 6 4.561 -4.186 7.554 60 HD11 ILE 6 3HD1 ILE 6 6.145 -6.090 5.764 61 HD12 ILE 6 1HD1 ILE 6 5.794 -5.364 4.195 62 HD13 ILE 6 2HD1 ILE 6 4.723 -5.064 5.560 63 H SER 7 H SER 7 6.197 -1.045 9.010 64 HA SER 7 HA SER 7 7.963 -0.692 11.204 65 HB2 SER 7 2HB SER 7 6.190 0.920 10.742 66 HB3 SER 7 1HB SER 7 4.944 -0.295 11.034 67 HG SER 7 HG SER 7 6.147 1.326 12.779 68 H GLU 8 H GLU 8 7.257 -1.209 13.485 69 HA GLU 8 HA GLU 8 7.251 -3.937 14.088 70 HB2 GLU 8 2HB GLU 8 6.621 -1.478 15.727 71 HB3 GLU 8 1HB GLU 8 6.653 -3.077 16.438 72 HG2 GLU 8 2HG GLU 8 8.732 -1.883 16.892 73 HG3 GLU 8 1HG GLU 8 9.042 -3.295 15.892 74 H THR 9 H THR 9 4.755 -1.752 13.545 75 HA THR 9 HA THR 9 2.654 -3.778 13.942 76 HB THR 9 HB THR 9 2.065 -1.756 15.095 77 HG1 THR 9 HG1 THR 9 0.521 -1.551 12.721 78 HG21 THR 9 3HG2 THR 9 2.493 -0.214 12.513 79 HG22 THR 9 1HG2 THR 9 3.492 -0.097 13.961 80 HG23 THR 9 2HG2 THR 9 1.812 0.448 13.998 81 HA PRO 10 HA PRO 10 2.887 -3.859 9.335 82 HB2 PRO 10 2HB PRO 10 2.848 -6.525 8.980 83 HB3 PRO 10 1HB PRO 10 4.317 -5.723 9.577 84 HG2 PRO 10 2HG PRO 10 2.278 -7.291 11.110 85 HG3 PRO 10 1HG PRO 10 4.045 -7.263 11.292 86 HD2 PRO 10 2HD PRO 10 2.218 -5.796 12.859 87 HD3 PRO 10 1HD PRO 10 3.964 -5.487 12.747 88 H ASN 11 H ASN 11 0.552 -4.057 11.514 89 HA ASN 11 HA ASN 11 -1.631 -4.595 9.686 90 HB2 ASN 11 2HB ASN 11 -2.623 -6.146 11.485 91 HB3 ASN 11 1HB ASN 11 -1.329 -6.821 10.513 92 HD21 ASN 11 1HD2 ASN 11 -0.913 -8.380 12.123 93 HD22 ASN 11 2HD2 ASN 11 -0.109 -7.988 13.601 94 H HIS 12 H HIS 12 -3.612 -4.681 11.746 95 HA HIS 12 HA HIS 12 -4.923 -3.454 13.099 96 HB2 HIS 12 2HB HIS 12 -2.325 -2.148 14.042 97 HB3 HIS 12 1HB HIS 12 -3.882 -2.012 14.854 98 HD1 HIS 12 HD1 HIS 12 -1.841 -3.022 16.629 99 HD2 HIS 12 HD2 HIS 12 -3.790 -5.598 14.033 100 HE1 HIS 12 HE1 HIS 12 -1.533 -5.318 17.599 101 HE2 HIS 12 HE2 HIS 12 -2.594 -6.867 15.937 102 H ASN 13 H ASN 13 -5.729 -2.661 11.100 103 HA ASN 13 HA ASN 13 -6.700 -1.135 9.792 104 HB2 ASN 13 2HB ASN 13 -5.488 0.899 11.677 105 HB3 ASN 13 1HB ASN 13 -6.490 1.357 10.311 106 HD21 ASN 13 1HD2 ASN 13 -8.406 -0.711 10.460 107 HD22 ASN 13 2HD2 ASN 13 -9.348 -0.452 11.884 108 H THR 14 H THR 14 -3.421 0.110 10.525 109 HA THR 14 HA THR 14 -2.842 0.184 7.654 110 HB THR 14 HB THR 14 -3.740 2.405 8.000 111 HG1 THR 14 HG1 THR 14 -2.182 3.209 6.882 112 HG21 THR 14 3HG2 THR 14 -2.804 4.005 9.635 113 HG22 THR 14 1HG2 THR 14 -1.751 2.749 10.286 114 HG23 THR 14 2HG2 THR 14 -3.502 2.605 10.455 115 H MET 15 H MET 15 -0.804 -0.289 7.149 116 HA MET 15 HA MET 15 1.219 -0.592 9.312 117 HB2 MET 15 2HB MET 15 2.461 -2.065 7.783 118 HB3 MET 15 1HB MET 15 0.820 -2.656 7.974 119 HG2 MET 15 2HG MET 15 0.251 -2.182 5.787 120 HG3 MET 15 1HG MET 15 1.411 -0.881 5.641 121 HE1 MET 15 3HE MET 15 2.617 -5.346 5.453 122 HE2 MET 15 1HE MET 15 0.966 -4.805 5.752 123 HE3 MET 15 2HE MET 15 2.213 -4.550 6.974 124 H LYS 16 H LYS 16 3.302 0.247 8.988 125 HA LYS 16 HA LYS 16 3.593 2.468 7.062 126 HB2 LYS 16 2HB LYS 16 4.254 3.069 9.295 127 HB3 LYS 16 1HB LYS 16 5.169 1.590 9.502 128 HG2 LYS 16 2HG LYS 16 6.772 2.445 7.720 129 HG3 LYS 16 1HG LYS 16 5.925 3.989 7.806 130 HD2 LYS 16 2HD LYS 16 7.403 2.607 10.079 131 HD3 LYS 16 1HD LYS 16 7.950 4.036 9.201 132 HE2 LYS 16 2HE LYS 16 6.057 5.328 10.097 133 HE3 LYS 16 1HE LYS 16 5.447 3.891 10.919 134 HZ1 LYS 16 3HZ LYS 16 7.567 3.845 12.164 135 HZ2 LYS 16 1HZ LYS 16 6.612 5.203 12.480 136 HZ3 LYS 16 2HZ LYS 16 7.965 5.337 11.480 137 H ILE 17 H ILE 17 4.631 2.103 5.197 138 HA ILE 17 HA ILE 17 6.598 -0.105 4.967 139 HB ILE 17 HB ILE 17 4.785 1.148 2.856 140 HG12 ILE 17 2HG1 ILE 17 5.079 -1.716 3.877 141 HG13 ILE 17 1HG1 ILE 17 3.748 -0.623 4.226 142 HG21 ILE 17 1HG2 ILE 17 7.075 -0.793 2.351 143 HG22 ILE 17 2HG2 ILE 17 6.999 0.888 1.825 144 HG23 ILE 17 3HG2 ILE 17 5.877 -0.293 1.155 145 HD11 ILE 17 3HD1 ILE 17 3.133 -0.673 1.828 146 HD12 ILE 17 1HD1 ILE 17 3.077 -2.256 2.602 147 HD13 ILE 17 2HD1 ILE 17 4.430 -1.839 1.554 148 H THR 18 H THR 18 8.373 0.954 5.621 149 HA THR 18 HA THR 18 9.211 3.544 4.764 150 HB THR 18 HB THR 18 10.953 1.271 5.841 151 HG1 THR 18 HG1 THR 18 9.559 3.304 7.291 152 HG21 THR 18 3HG2 THR 18 11.344 4.295 5.943 153 HG22 THR 18 1HG2 THR 18 12.247 3.177 4.918 154 HG23 THR 18 2HG2 THR 18 12.408 3.090 6.671 155 H LEU 19 H LEU 19 9.699 3.981 2.686 156 HA LEU 19 HA LEU 19 10.570 1.947 0.803 157 HB2 LEU 19 2HB LEU 19 10.173 4.944 0.468 158 HB3 LEU 19 1HB LEU 19 10.535 3.831 -0.840 159 HG LEU 19 HG LEU 19 7.981 3.883 0.819 160 HD11 LEU 19 1HD1 LEU 19 6.874 4.531 -1.273 161 HD12 LEU 19 2HD1 LEU 19 8.429 4.551 -2.108 162 HD13 LEU 19 3HD1 LEU 19 8.106 5.707 -0.814 163 HD21 LEU 19 3HD2 LEU 19 8.510 1.558 0.261 164 HD22 LEU 19 1HD2 LEU 19 8.730 1.984 -1.438 165 HD23 LEU 19 2HD2 LEU 19 7.134 2.110 -0.691 166 H SER 20 H SER 20 12.402 2.783 -0.791 167 HA SER 20 HA SER 20 14.882 3.121 0.602 168 HB2 SER 20 2HB SER 20 14.396 3.474 -2.387 169 HB3 SER 20 1HB SER 20 15.911 3.031 -1.593 170 HG SER 20 HG SER 20 15.240 1.031 -1.390 171 H GLU 21 H GLU 21 12.517 5.320 0.107 172 HA GLU 21 HA GLU 21 13.641 7.643 -0.937 173 HB2 GLU 21 2HB GLU 21 11.140 6.886 -0.167 174 HB3 GLU 21 1HB GLU 21 11.555 7.846 1.237 175 HG2 GLU 21 2HG GLU 21 11.632 8.894 -1.603 176 HG3 GLU 21 1HG GLU 21 10.229 9.001 -0.560 177 H SER 22 H SER 22 14.965 9.133 -0.112 178 HA SER 22 HA SER 22 16.588 8.727 2.121 179 HB2 SER 22 2HB SER 22 17.287 9.962 0.083 180 HB3 SER 22 1HB SER 22 16.182 11.271 0.513 181 HG SER 22 HG SER 22 17.415 11.587 2.414 182 H ARG 23 H ARG 23 13.709 10.355 1.700 183 HA ARG 23 HA ARG 23 12.132 11.131 3.159 184 HB2 ARG 23 2HB ARG 23 13.349 10.573 5.261 185 HB3 ARG 23 1HB ARG 23 14.305 12.043 5.083 186 HG2 ARG 23 2HG ARG 23 12.242 13.407 5.243 187 HG3 ARG 23 1HG ARG 23 11.281 11.936 5.415 188 HD2 ARG 23 2HD ARG 23 12.580 11.432 7.526 189 HD3 ARG 23 1HD ARG 23 13.324 13.033 7.379 190 HE ARG 23 HE ARG 23 11.192 14.042 7.726 191 HH11 ARG 23 1HH1 ARG 23 11.079 10.544 8.160 192 HH12 ARG 23 2HH1 ARG 23 9.592 10.590 9.048 193 HH21 ARG 23 1HH2 ARG 23 9.206 14.045 8.860 194 HH22 ARG 23 2HH2 ARG 23 8.539 12.553 9.442 195 H GLU 24 H GLU 24 11.158 12.951 2.703 196 HA GLU 24 HA GLU 24 10.656 15.087 2.295 197 HB2 GLU 24 2HB GLU 24 12.545 15.709 3.884 198 HB3 GLU 24 1HB GLU 24 13.592 15.868 2.481 199 HG2 GLU 24 2HG GLU 24 12.187 17.686 1.610 200 HG3 GLU 24 1HG GLU 24 11.065 17.486 2.953 201 H GLY 25 H GLY 25 12.472 13.099 0.380 202 HA2 GLY 25 2HA GLY 25 12.778 14.745 -1.963 203 HA3 GLY 25 1HA GLY 25 12.881 12.991 -1.881 204 H MET 26 H MET 26 10.338 12.562 -0.688 205 HA MET 26 HA MET 26 8.433 13.255 -2.856 206 HB2 MET 26 2HB MET 26 8.398 10.969 -0.836 207 HB3 MET 26 1HB MET 26 7.122 11.282 -2.003 208 HG2 MET 26 2HG MET 26 8.638 10.785 -3.845 209 HG3 MET 26 1HG MET 26 9.980 10.581 -2.712 210 HE1 MET 26 3HE MET 26 9.094 8.308 -4.906 211 HE2 MET 26 1HE MET 26 9.224 6.857 -3.914 212 HE3 MET 26 2HE MET 26 10.462 8.110 -3.809 213 H THR 27 H THR 27 6.055 13.088 -1.783 214 HA THR 27 HA THR 27 5.985 14.854 0.602 215 HB THR 27 HB THR 27 5.491 16.113 -1.542 216 HG1 THR 27 HG1 THR 27 4.277 17.333 -0.323 217 HG21 THR 27 3HG2 THR 27 3.289 15.830 -2.629 218 HG22 THR 27 1HG2 THR 27 2.950 14.436 -1.595 219 HG23 THR 27 2HG2 THR 27 4.247 14.357 -2.789 220 H SER 28 H SER 28 3.587 15.014 1.339 221 HA SER 28 HA SER 28 2.615 12.337 2.008 222 HB2 SER 28 2HB SER 28 1.124 13.653 3.591 223 HB3 SER 28 1HB SER 28 2.852 13.886 3.853 224 HG SER 28 HG SER 28 1.440 15.644 2.158 225 H ASP 29 H ASP 29 0.818 11.442 1.160 226 HA ASP 29 HA ASP 29 -1.400 12.982 0.100 227 HB2 ASP 29 2HB ASP 29 0.374 12.561 -1.809 228 HB3 ASP 29 1HB ASP 29 -0.168 10.898 -1.761 229 H THR 30 H THR 30 -3.309 11.567 -0.214 230 HA THR 30 HA THR 30 -3.030 8.813 0.814 231 HB THR 30 HB THR 30 -3.957 10.001 2.690 232 HG1 THR 30 HG1 THR 30 -6.054 8.946 2.808 233 HG21 THR 30 3HG2 THR 30 -6.129 11.093 0.872 234 HG22 THR 30 1HG2 THR 30 -4.824 12.029 1.601 235 HG23 THR 30 2HG2 THR 30 -6.060 11.291 2.623 236 H TYR 31 H TYR 31 -3.247 7.718 -1.008 237 HA TYR 31 HA TYR 31 -5.148 8.393 -3.105 238 HB2 TYR 31 2HB TYR 31 -3.297 5.973 -2.819 239 HB3 TYR 31 1HB TYR 31 -4.154 6.451 -4.286 240 HD1 TYR 31 HD1 TYR 31 -3.630 8.862 -5.200 241 HD2 TYR 31 HD2 TYR 31 -1.071 6.781 -2.477 242 HE1 TYR 31 HE1 TYR 31 -1.765 10.316 -5.840 243 HE2 TYR 31 HE2 TYR 31 0.799 8.238 -3.130 244 HH TYR 31 HH TYR 31 0.347 11.108 -4.871 245 H THR 32 H THR 32 -7.225 7.898 -2.756 246 HA THR 32 HA THR 32 -7.937 5.610 -1.006 247 HB THR 32 HB THR 32 -10.037 6.946 -0.507 248 HG1 THR 32 HG1 THR 32 -9.791 9.277 -1.027 249 HG21 THR 32 3HG2 THR 32 -8.138 7.008 1.072 250 HG22 THR 32 1HG2 THR 32 -8.950 8.572 1.008 251 HG23 THR 32 2HG2 THR 32 -7.415 8.340 0.165 252 H LYS 33 H LYS 33 -9.546 7.608 -3.533 253 HA LYS 33 HA LYS 33 -11.192 5.265 -4.247 254 HB2 LYS 33 2HB LYS 33 -11.673 8.199 -4.896 255 HB3 LYS 33 1HB LYS 33 -12.819 6.881 -5.094 256 HG2 LYS 33 2HG LYS 33 -12.994 6.620 -2.663 257 HG3 LYS 33 1HG LYS 33 -11.760 7.859 -2.418 258 HD2 LYS 33 2HD LYS 33 -14.488 8.303 -3.696 259 HD3 LYS 33 1HD LYS 33 -14.045 8.759 -2.051 260 HE2 LYS 33 2HE LYS 33 -12.367 10.346 -2.944 261 HE3 LYS 33 1HE LYS 33 -12.787 9.871 -4.590 262 HZ1 LYS 33 3HZ LYS 33 -14.596 11.183 -2.643 263 HZ2 LYS 33 1HZ LYS 33 -15.019 10.719 -4.210 264 HZ3 LYS 33 2HZ LYS 33 -13.859 11.926 -3.970 265 H VAL 34 H VAL 34 -8.432 5.903 -5.301 266 HA VAL 34 HA VAL 34 -7.228 5.504 -7.169 267 HB VAL 34 HB VAL 34 -9.917 4.728 -8.390 268 HG11 VAL 34 1HG1 VAL 34 -8.651 3.392 -10.056 269 HG12 VAL 34 2HG1 VAL 34 -7.138 4.051 -9.428 270 HG13 VAL 34 3HG1 VAL 34 -8.308 5.119 -10.202 271 HG21 VAL 34 3HG2 VAL 34 -7.807 2.962 -7.089 272 HG22 VAL 34 1HG2 VAL 34 -9.297 2.386 -7.849 273 HG23 VAL 34 2HG2 VAL 34 -9.371 3.388 -6.398 274 H ASP 35 H ASP 35 -6.607 6.372 -9.196 275 HA ASP 35 HA ASP 35 -6.161 7.887 -10.752 276 HB2 ASP 35 2HB ASP 35 -8.321 7.412 -11.703 277 HB3 ASP 35 1HB ASP 35 -9.125 8.483 -10.569 278 H ASP 36 H ASP 36 -4.736 8.997 -9.479 279 HA ASP 36 HA ASP 36 -5.165 11.797 -9.429 280 HB2 ASP 36 2HB ASP 36 -6.263 11.346 -7.256 281 HB3 ASP 36 1HB ASP 36 -4.835 10.485 -6.690 282 H SER 37 H SER 37 -3.485 11.198 -10.952 283 HA SER 37 HA SER 37 -1.367 10.967 -11.729 284 HB2 SER 37 2HB SER 37 0.289 12.541 -10.673 285 HB3 SER 37 1HB SER 37 -1.279 13.285 -10.990 286 HG SER 37 HG SER 37 -1.071 12.167 -8.481 287 H GLN 38 H GLN 38 -1.932 8.657 -10.573 288 HA GLN 38 HA GLN 38 0.509 7.795 -9.185 289 HB2 GLN 38 2HB GLN 38 -1.070 6.252 -7.771 290 HB3 GLN 38 1HB GLN 38 -0.874 7.927 -7.309 291 HG2 GLN 38 2HG GLN 38 -3.136 7.888 -7.150 292 HG3 GLN 38 1HG GLN 38 -3.069 8.183 -8.876 293 HE21 GLN 38 1HE2 GLN 38 -2.512 5.150 -7.087 294 HE22 GLN 38 2HE2 GLN 38 -3.828 4.309 -7.828 295 HA PRO 39 HA PRO 39 0.666 5.006 -12.677 296 HB2 PRO 39 2HB PRO 39 2.187 3.283 -10.701 297 HB3 PRO 39 1HB PRO 39 2.623 3.758 -12.360 298 HG2 PRO 39 2HG PRO 39 3.779 4.954 -10.300 299 HG3 PRO 39 1HG PRO 39 3.290 5.895 -11.730 300 HD2 PRO 39 2HD PRO 39 1.972 5.747 -9.031 301 HD3 PRO 39 1HD PRO 39 2.144 7.127 -10.137 302 H ALA 40 H ALA 40 -0.092 3.005 -13.414 303 HA ALA 40 HA ALA 40 -2.521 2.076 -12.488 304 HB1 ALA 40 3HB ALA 40 -1.692 1.739 -14.783 305 HB2 ALA 40 1HB ALA 40 -2.267 0.225 -14.083 306 HB3 ALA 40 2HB ALA 40 -0.534 0.544 -14.198 307 H PHE 41 H PHE 41 0.677 0.915 -11.683 308 HA PHE 41 HA PHE 41 0.101 -1.528 -10.424 309 HB2 PHE 41 2HB PHE 41 2.337 0.413 -9.700 310 HB3 PHE 41 1HB PHE 41 2.325 -1.327 -9.433 311 HD1 PHE 41 HD1 PHE 41 2.189 -2.842 -11.542 312 HD2 PHE 41 HD2 PHE 41 3.294 1.285 -11.692 313 HE1 PHE 41 HE1 PHE 41 3.231 -3.192 -13.734 314 HE2 PHE 41 HE2 PHE 41 4.337 0.922 -13.886 315 HZ PHE 41 HZ PHE 41 4.305 -1.317 -14.911 316 H ILE 42 H ILE 42 0.202 1.776 -9.158 317 HA ILE 42 HA ILE 42 -0.308 1.159 -6.404 318 HB ILE 42 HB ILE 42 -0.729 3.807 -7.887 319 HG12 ILE 42 2HG1 ILE 42 1.600 3.030 -8.195 320 HG13 ILE 42 1HG1 ILE 42 1.569 4.431 -7.134 321 HG21 ILE 42 1HG2 ILE 42 -0.443 4.886 -5.668 322 HG22 ILE 42 2HG2 ILE 42 -0.345 3.296 -4.908 323 HG23 ILE 42 3HG2 ILE 42 -1.838 3.805 -5.695 324 HD11 ILE 42 3HD1 ILE 42 1.899 1.556 -6.283 325 HD12 ILE 42 1HD1 ILE 42 1.834 2.943 -5.194 326 HD13 ILE 42 2HD1 ILE 42 3.158 2.789 -6.347 327 H ASN 43 H ASN 43 -2.300 1.648 -9.263 328 HA ASN 43 HA ASN 43 -4.821 2.104 -7.968 329 HB2 ASN 43 2HB ASN 43 -4.171 1.100 -10.779 330 HB3 ASN 43 1HB ASN 43 -5.790 1.462 -10.221 331 HD21 ASN 43 1HD2 ASN 43 -2.802 3.313 -9.659 332 HD22 ASN 43 2HD2 ASN 43 -3.361 4.745 -10.436 333 H ASP 44 H ASP 44 -3.034 -0.758 -9.049 334 HA ASP 44 HA ASP 44 -5.015 -2.727 -8.583 335 HB2 ASP 44 2HB ASP 44 -1.985 -2.815 -8.721 336 HB3 ASP 44 1HB ASP 44 -2.901 -4.260 -8.300 337 H ILE 45 H ILE 45 -2.456 -1.392 -6.459 338 HA ILE 45 HA ILE 45 -2.944 -3.028 -4.211 339 HB ILE 45 HB ILE 45 -1.963 -0.142 -4.136 340 HG12 ILE 45 2HG1 ILE 45 -0.299 -2.699 -4.330 341 HG13 ILE 45 1HG1 ILE 45 -0.578 -1.578 -5.656 342 HG21 ILE 45 1HG2 ILE 45 -1.641 -2.375 -2.082 343 HG22 ILE 45 2HG2 ILE 45 -2.619 -0.918 -1.903 344 HG23 ILE 45 3HG2 ILE 45 -0.864 -0.794 -1.986 345 HD11 ILE 45 3HD1 ILE 45 1.615 -1.240 -4.721 346 HD12 ILE 45 1HD1 ILE 45 0.939 -0.996 -3.111 347 HD13 ILE 45 2HD1 ILE 45 0.618 0.177 -4.391 348 H LEU 46 H LEU 46 -4.411 0.009 -5.243 349 HA LEU 46 HA LEU 46 -6.197 0.404 -3.094 350 HB2 LEU 46 2HB LEU 46 -6.284 1.270 -5.998 351 HB3 LEU 46 1HB LEU 46 -7.502 1.768 -4.834 352 HG LEU 46 HG LEU 46 -4.530 2.344 -4.523 353 HD11 LEU 46 1HD1 LEU 46 -5.020 4.672 -5.092 354 HD12 LEU 46 2HD1 LEU 46 -6.694 4.248 -5.464 355 HD13 LEU 46 3HD1 LEU 46 -5.376 3.597 -6.443 356 HD21 LEU 46 3HD2 LEU 46 -5.739 2.201 -2.395 357 HD22 LEU 46 1HD2 LEU 46 -6.918 3.385 -2.965 358 HD23 LEU 46 2HD2 LEU 46 -5.232 3.854 -2.723 359 H LYS 47 H LYS 47 -6.443 -1.605 -5.976 360 HA LYS 47 HA LYS 47 -9.194 -2.408 -5.411 361 HB2 LYS 47 2HB LYS 47 -7.431 -2.469 -7.761 362 HB3 LYS 47 1HB LYS 47 -8.197 -4.032 -7.522 363 HG2 LYS 47 2HG LYS 47 -9.460 -2.516 -9.049 364 HG3 LYS 47 1HG LYS 47 -10.402 -3.066 -7.660 365 HD2 LYS 47 2HD LYS 47 -10.056 -0.917 -6.529 366 HD3 LYS 47 1HD LYS 47 -9.019 -0.357 -7.841 367 HE2 LYS 47 2HE LYS 47 -10.950 -0.470 -9.390 368 HE3 LYS 47 1HE LYS 47 -11.981 -1.011 -8.063 369 HZ1 LYS 47 3HZ LYS 47 -12.249 1.328 -8.416 370 HZ2 LYS 47 1HZ LYS 47 -10.586 1.598 -8.267 371 HZ3 LYS 47 2HZ LYS 47 -11.483 1.089 -6.925 372 H VAL 48 H VAL 48 -6.266 -3.352 -4.131 373 HA VAL 48 HA VAL 48 -6.761 -6.165 -3.871 374 HB VAL 48 HB VAL 48 -5.034 -4.344 -2.129 375 HG11 VAL 48 1HG1 VAL 48 -5.627 -6.355 -0.853 376 HG12 VAL 48 2HG1 VAL 48 -3.933 -6.434 -1.332 377 HG13 VAL 48 3HG1 VAL 48 -5.138 -7.390 -2.197 378 HG21 VAL 48 3HG2 VAL 48 -3.131 -5.292 -3.388 379 HG22 VAL 48 1HG2 VAL 48 -4.255 -4.456 -4.457 380 HG23 VAL 48 2HG2 VAL 48 -4.247 -6.217 -4.394 381 H GLU 49 H GLU 49 -8.106 -7.169 -2.579 382 HA GLU 49 HA GLU 49 -10.170 -5.915 -1.202 383 HB2 GLU 49 2HB GLU 49 -10.777 -8.167 -0.339 384 HB3 GLU 49 1HB GLU 49 -10.507 -8.142 -2.070 385 HG2 GLU 49 2HG GLU 49 -8.454 -9.122 -0.074 386 HG3 GLU 49 1HG GLU 49 -9.631 -10.175 -0.847 387 H GLY 50 H GLY 50 -10.535 -5.347 0.842 388 HA2 GLY 50 2HA GLY 50 -10.117 -5.252 3.193 389 HA3 GLY 50 1HA GLY 50 -8.443 -5.722 2.909 390 H VAL 51 H VAL 51 -7.798 -3.977 0.814 391 HA VAL 51 HA VAL 51 -6.811 -1.825 2.369 392 HB VAL 51 HB VAL 51 -6.706 -2.163 -0.663 393 HG11 VAL 51 1HG1 VAL 51 -5.004 -0.363 1.128 394 HG12 VAL 51 2HG1 VAL 51 -6.207 0.181 -0.041 395 HG13 VAL 51 3HG1 VAL 51 -4.742 -0.624 -0.600 396 HG21 VAL 51 3HG2 VAL 51 -4.668 -2.963 1.461 397 HG22 VAL 51 1HG2 VAL 51 -4.435 -3.096 -0.286 398 HG23 VAL 51 2HG2 VAL 51 -5.669 -4.068 0.517 399 H LYS 52 H LYS 52 -7.317 0.262 2.524 400 HA LYS 52 HA LYS 52 -9.860 1.246 1.372 401 HB2 LYS 52 2HB LYS 52 -9.971 0.893 3.802 402 HB3 LYS 52 1HB LYS 52 -8.504 1.834 4.042 403 HG2 LYS 52 2HG LYS 52 -9.679 3.872 3.303 404 HG3 LYS 52 1HG LYS 52 -11.145 2.931 3.022 405 HD2 LYS 52 2HD LYS 52 -11.252 4.157 5.164 406 HD3 LYS 52 1HD LYS 52 -11.311 2.412 5.419 407 HE2 LYS 52 2HE LYS 52 -9.863 3.488 7.088 408 HE3 LYS 52 1HE LYS 52 -8.913 2.429 6.045 409 HZ1 LYS 52 3HZ LYS 52 -9.109 5.387 5.829 410 HZ2 LYS 52 1HZ LYS 52 -8.219 4.396 4.788 411 HZ3 LYS 52 2HZ LYS 52 -7.787 4.517 6.419 412 H SER 53 H SER 53 -6.563 2.169 2.403 413 HA SER 53 HA SER 53 -6.499 4.374 0.482 414 HB2 SER 53 2HB SER 53 -5.883 4.881 3.425 415 HB3 SER 53 1HB SER 53 -5.914 6.071 2.123 416 HG SER 53 HG SER 53 -8.224 5.394 1.923 417 H ILE 54 H ILE 54 -4.409 5.180 0.107 418 HA ILE 54 HA ILE 54 -2.076 3.693 1.149 419 HB ILE 54 HB ILE 54 -2.540 4.780 -1.682 420 HG12 ILE 54 2HG1 ILE 54 -2.062 1.916 -0.745 421 HG13 ILE 54 1HG1 ILE 54 -3.614 2.578 -1.247 422 HG21 ILE 54 1HG2 ILE 54 -0.284 4.008 -2.284 423 HG22 ILE 54 2HG2 ILE 54 0.002 3.491 -0.624 424 HG23 ILE 54 3HG2 ILE 54 -0.199 5.203 -0.987 425 HD11 ILE 54 3HD1 ILE 54 -1.183 2.168 -2.971 426 HD12 ILE 54 1HD1 ILE 54 -2.668 2.965 -3.501 427 HD13 ILE 54 2HD1 ILE 54 -2.699 1.272 -3.016 428 H PHE 55 H PHE 55 -2.038 5.289 2.808 429 HA PHE 55 HA PHE 55 -1.808 8.103 2.116 430 HB2 PHE 55 2HB PHE 55 -3.028 7.448 4.172 431 HB3 PHE 55 1HB PHE 55 -1.573 6.695 4.816 432 HD1 PHE 55 HD1 PHE 55 -2.302 10.039 3.235 433 HD2 PHE 55 HD2 PHE 55 -0.732 7.957 6.620 434 HE1 PHE 55 HE1 PHE 55 -1.711 12.179 4.274 435 HE2 PHE 55 HE2 PHE 55 -0.138 10.104 7.654 436 HZ PHE 55 HZ PHE 55 -0.627 12.219 6.484 437 H HIS 56 H HIS 56 0.014 8.173 0.852 438 HA HIS 56 HA HIS 56 2.569 7.133 1.821 439 HB2 HIS 56 2HB HIS 56 2.167 6.868 -0.561 440 HB3 HIS 56 1HB HIS 56 1.774 8.572 -0.749 441 HD1 HIS 56 HD1 HIS 56 3.593 9.238 -2.333 442 HD2 HIS 56 HD2 HIS 56 5.101 7.344 1.042 443 HE1 HIS 56 HE1 HIS 56 6.066 9.565 -2.434 444 HE2 HIS 56 HE2 HIS 56 6.933 8.612 -0.281 445 H VAL 57 H VAL 57 2.837 8.359 3.652 446 HA VAL 57 HA VAL 57 2.980 11.275 3.447 447 HB VAL 57 HB VAL 57 1.795 10.681 5.389 448 HG11 VAL 57 1HG1 VAL 57 3.907 8.630 6.081 449 HG12 VAL 57 2HG1 VAL 57 2.283 8.301 5.477 450 HG13 VAL 57 3HG1 VAL 57 2.500 9.022 7.073 451 HG21 VAL 57 3HG2 VAL 57 3.492 12.425 5.856 452 HG22 VAL 57 1HG2 VAL 57 4.621 11.181 6.396 453 HG23 VAL 57 2HG2 VAL 57 3.131 11.473 7.297 454 H MET 58 H MET 58 4.772 11.868 2.479 455 HA MET 58 HA MET 58 6.872 12.577 2.237 456 HB2 MET 58 2HB MET 58 6.662 12.959 4.745 457 HB3 MET 58 1HB MET 58 7.464 11.415 4.996 458 HG2 MET 58 2HG MET 58 9.108 13.123 5.269 459 HG3 MET 58 1HG MET 58 9.437 12.351 3.717 460 HE1 MET 58 3HE MET 58 6.584 15.003 4.588 461 HE2 MET 58 1HE MET 58 7.406 16.500 4.147 462 HE3 MET 58 2HE MET 58 7.980 15.552 5.517 463 H ASP 59 H ASP 59 7.931 9.799 4.191 464 HA ASP 59 HA ASP 59 9.411 8.775 1.825 465 HB2 ASP 59 2HB ASP 59 11.219 8.160 3.396 466 HB3 ASP 59 1HB ASP 59 10.881 9.885 3.451 467 H PHE 60 H PHE 60 6.972 8.035 3.970 468 HA PHE 60 HA PHE 60 7.333 5.132 3.627 469 HB2 PHE 60 2HB PHE 60 6.570 4.725 5.950 470 HB3 PHE 60 1HB PHE 60 8.095 5.587 5.887 471 HD1 PHE 60 HD2 PHE 60 7.907 8.236 6.094 472 HD2 PHE 60 HD1 PHE 60 4.907 5.513 7.452 473 HE1 PHE 60 HE2 PHE 60 7.062 9.940 7.641 474 HE2 PHE 60 HE1 PHE 60 4.066 7.222 9.006 475 HZ PHE 60 HZ PHE 60 5.135 9.443 9.095 476 H ILE 61 H ILE 61 5.552 4.015 3.137 477 HA ILE 61 HA ILE 61 3.075 5.487 2.611 478 HB ILE 61 HB ILE 61 3.822 2.637 1.805 479 HG12 ILE 61 2HG1 ILE 61 3.999 5.207 0.154 480 HG13 ILE 61 1HG1 ILE 61 5.358 4.246 0.722 481 HG21 ILE 61 1HG2 ILE 61 1.390 3.026 1.901 482 HG22 ILE 61 2HG2 ILE 61 1.923 2.801 0.237 483 HG23 ILE 61 3HG2 ILE 61 1.555 4.422 0.831 484 HD11 ILE 61 3HD1 ILE 61 4.643 2.389 -0.719 485 HD12 ILE 61 1HD1 ILE 61 4.946 3.865 -1.635 486 HD13 ILE 61 2HD1 ILE 61 3.290 3.366 -1.296 487 H SER 62 H SER 62 1.886 5.580 4.418 488 HA SER 62 HA SER 62 1.420 3.355 6.194 489 HB2 SER 62 2HB SER 62 1.432 5.816 6.903 490 HB3 SER 62 1HB SER 62 -0.083 6.010 6.031 491 HG SER 62 HG SER 62 -0.131 3.891 7.756 492 H VAL 63 H VAL 63 0.557 1.722 4.868 493 HA VAL 63 HA VAL 63 -1.628 2.186 3.020 494 HB VAL 63 HB VAL 63 -0.491 -0.489 3.966 495 HG11 VAL 63 1HG1 VAL 63 -2.190 0.146 1.514 496 HG12 VAL 63 2HG1 VAL 63 -2.714 -0.745 2.943 497 HG13 VAL 63 3HG1 VAL 63 -1.479 -1.427 1.887 498 HG21 VAL 63 3HG2 VAL 63 0.881 -0.506 1.916 499 HG22 VAL 63 1HG2 VAL 63 1.291 0.871 2.941 500 HG23 VAL 63 2HG2 VAL 63 0.302 1.108 1.498 501 H ASP 64 H ASP 64 -3.429 2.837 4.095 502 HA ASP 64 HA ASP 64 -4.442 1.565 6.486 503 HB2 ASP 64 2HB ASP 64 -5.722 3.599 4.648 504 HB3 ASP 64 1HB ASP 64 -6.415 3.075 6.164 505 H LYS 65 H LYS 65 -6.300 0.344 6.662 506 HA LYS 65 HA LYS 65 -7.892 -0.386 4.349 507 HB2 LYS 65 2HB LYS 65 -7.581 -2.806 4.641 508 HB3 LYS 65 1HB LYS 65 -6.054 -2.040 4.233 509 HG2 LYS 65 2HG LYS 65 -5.088 -2.554 6.244 510 HG3 LYS 65 1HG LYS 65 -6.597 -2.405 7.141 511 HD2 LYS 65 2HD LYS 65 -5.713 -4.713 7.103 512 HD3 LYS 65 1HD LYS 65 -7.322 -4.592 6.396 513 HE2 LYS 65 2HE LYS 65 -6.378 -4.730 4.143 514 HE3 LYS 65 1HE LYS 65 -4.736 -4.708 4.799 515 HZ1 LYS 65 3HZ LYS 65 -6.751 -6.795 5.381 516 HZ2 LYS 65 1HZ LYS 65 -5.128 -6.796 5.851 517 HZ3 LYS 65 2HZ LYS 65 -5.536 -6.939 4.215 518 H GLU 66 H GLU 66 -9.279 -2.500 5.540 519 HA GLU 66 HA GLU 66 -10.932 -1.467 7.562 520 HB2 GLU 66 2HB GLU 66 -10.386 -4.352 6.747 521 HB3 GLU 66 1HB GLU 66 -11.714 -3.853 7.789 522 HG2 GLU 66 2HG GLU 66 -11.327 -3.071 4.886 523 HG3 GLU 66 1HG GLU 66 -12.490 -4.239 5.508 524 H ASN 67 H ASN 67 -11.250 -3.068 9.616 525 HA ASN 67 HA ASN 67 -9.358 -2.481 11.535 526 HB2 ASN 67 2HB ASN 67 -10.499 -4.244 12.928 527 HB3 ASN 67 1HB ASN 67 -11.603 -3.117 12.156 528 HD21 ASN 67 1HD2 ASN 67 -12.142 -5.798 13.171 529 HD22 ASN 67 2HD2 ASN 67 -12.762 -6.706 11.838 530 H ASP 68 H ASP 68 -9.619 -5.480 9.629 531 HA ASP 68 HA ASP 68 -6.760 -5.849 9.702 532 HB2 ASP 68 2HB ASP 68 -6.797 -8.183 10.588 533 HB3 ASP 68 1HB ASP 68 -7.261 -6.994 11.795 534 H ALA 69 H ALA 69 -9.938 -7.209 8.838 535 HA ALA 69 HA ALA 69 -10.670 -8.627 7.250 536 HB1 ALA 69 3HB ALA 69 -10.363 -6.602 5.856 537 HB2 ALA 69 1HB ALA 69 -10.083 -8.074 4.920 538 HB3 ALA 69 2HB ALA 69 -8.716 -7.110 5.481 539 H ASN 70 H ASN 70 -7.746 -8.813 5.365 540 HA ASN 70 HA ASN 70 -6.223 -10.410 7.205 541 HB2 ASN 70 2HB ASN 70 -5.864 -12.330 5.650 542 HB3 ASN 70 1HB ASN 70 -7.542 -12.227 6.169 543 HD21 ASN 70 1HD2 ASN 70 -6.359 -13.500 3.794 544 HD22 ASN 70 2HD2 ASN 70 -7.192 -12.816 2.442 545 H TRP 71 H TRP 71 -4.152 -9.677 6.993 546 HA TRP 71 HA TRP 71 -3.289 -8.207 4.624 547 HB2 TRP 71 2HB TRP 71 -1.861 -8.973 7.197 548 HB3 TRP 71 1HB TRP 71 -1.038 -8.173 5.866 549 HD1 TRP 71 HD1 TRP 71 -3.405 -7.446 8.765 550 HE1 TRP 71 HE1 TRP 71 -3.690 -4.899 8.983 551 HE3 TRP 71 HE3 TRP 71 -1.230 -5.996 4.367 552 HZ2 TRP 71 HZ2 TRP 71 -3.071 -2.572 7.482 553 HZ3 TRP 71 HZ3 TRP 71 -1.143 -3.598 3.822 554 HH2 TRP 71 HH2 TRP 71 -2.051 -1.923 5.349 555 H GLU 72 H GLU 72 -3.383 -11.464 5.612 556 HA GLU 72 HA GLU 72 -1.224 -12.731 4.496 557 HB2 GLU 72 2HB GLU 72 -2.978 -13.900 5.779 558 HB3 GLU 72 1HB GLU 72 -4.135 -13.633 4.481 559 HG2 GLU 72 2HG GLU 72 -2.747 -15.064 2.981 560 HG3 GLU 72 1HG GLU 72 -1.647 -15.375 4.319 561 H THR 73 H THR 73 -4.210 -11.723 2.810 562 HA THR 73 HA THR 73 -3.332 -12.617 0.220 563 HB THR 73 HB THR 73 -5.745 -12.510 0.775 564 HG1 THR 73 HG1 THR 73 -6.232 -11.113 -1.241 565 HG21 THR 73 3HG2 THR 73 -5.464 -9.480 0.647 566 HG22 THR 73 1HG2 THR 73 -5.819 -10.413 2.103 567 HG23 THR 73 2HG2 THR 73 -6.981 -10.372 0.775 568 H VAL 74 H VAL 74 -3.261 -9.565 1.999 569 HA VAL 74 HA VAL 74 -3.127 -7.837 -0.219 570 HB VAL 74 HB VAL 74 -2.439 -7.306 2.700 571 HG11 VAL 74 1HG1 VAL 74 -2.888 -5.286 0.461 572 HG12 VAL 74 2HG1 VAL 74 -1.375 -5.575 1.321 573 HG13 VAL 74 3HG1 VAL 74 -2.755 -4.891 2.177 574 HG21 VAL 74 3HG2 VAL 74 -4.704 -6.306 2.800 575 HG22 VAL 74 1HG2 VAL 74 -4.772 -8.012 2.361 576 HG23 VAL 74 2HG2 VAL 74 -4.993 -6.772 1.123 577 H LEU 75 H LEU 75 -0.517 -8.954 1.986 578 HA LEU 75 HA LEU 75 1.502 -7.289 1.026 579 HB2 LEU 75 2HB LEU 75 1.564 -9.879 2.543 580 HB3 LEU 75 1HB LEU 75 3.074 -9.286 1.875 581 HG LEU 75 HG LEU 75 2.801 -7.161 3.161 582 HD11 LEU 75 1HD1 LEU 75 0.363 -8.480 4.381 583 HD12 LEU 75 2HD1 LEU 75 0.382 -7.052 3.343 584 HD13 LEU 75 3HD1 LEU 75 1.114 -6.987 4.943 585 HD21 LEU 75 3HD2 LEU 75 3.336 -8.048 5.382 586 HD22 LEU 75 1HD2 LEU 75 4.142 -8.993 4.132 587 HD23 LEU 75 2HD2 LEU 75 2.704 -9.633 4.931 588 HA PRO 76 HA PRO 76 2.827 -11.009 -2.182 589 HB2 PRO 76 2HB PRO 76 -0.123 -11.543 -2.685 590 HB3 PRO 76 1HB PRO 76 1.272 -12.612 -2.974 591 HG2 PRO 76 2HG PRO 76 -0.218 -12.964 -0.823 592 HG3 PRO 76 1HG PRO 76 1.554 -13.090 -0.702 593 HD2 PRO 76 2HD PRO 76 -0.257 -10.910 0.253 594 HD3 PRO 76 1HD PRO 76 1.303 -11.449 0.908 595 H LYS 77 H LYS 77 -0.125 -8.981 -2.453 596 HA LYS 77 HA LYS 77 0.275 -8.375 -5.260 597 HB2 LYS 77 2HB LYS 77 -1.648 -7.249 -3.186 598 HB3 LYS 77 1HB LYS 77 -1.593 -6.663 -4.840 599 HG2 LYS 77 2HG LYS 77 -3.432 -8.180 -4.655 600 HG3 LYS 77 1HG LYS 77 -2.192 -8.950 -5.643 601 HD2 LYS 77 2HD LYS 77 -1.533 -10.381 -3.786 602 HD3 LYS 77 1HD LYS 77 -2.610 -9.520 -2.687 603 HE2 LYS 77 2HE LYS 77 -3.527 -11.166 -5.075 604 HE3 LYS 77 1HE LYS 77 -3.513 -11.727 -3.404 605 HZ1 LYS 77 3HZ LYS 77 -5.076 -9.409 -4.397 606 HZ2 LYS 77 1HZ LYS 77 -5.102 -10.033 -2.827 607 HZ3 LYS 77 2HZ LYS 77 -5.697 -10.953 -4.116 608 H VAL 78 H VAL 78 0.676 -6.622 -2.195 609 HA VAL 78 HA VAL 78 1.299 -4.066 -3.269 610 HB VAL 78 HB VAL 78 1.987 -5.207 -0.517 611 HG11 VAL 78 1HG1 VAL 78 3.394 -3.241 -0.992 612 HG12 VAL 78 2HG1 VAL 78 2.195 -2.846 0.238 613 HG13 VAL 78 3HG1 VAL 78 1.967 -2.294 -1.423 614 HG21 VAL 78 3HG2 VAL 78 -0.380 -3.489 -1.359 615 HG22 VAL 78 1HG2 VAL 78 -0.024 -4.033 0.280 616 HG23 VAL 78 2HG2 VAL 78 -0.445 -5.208 -0.965 617 H GLU 79 H GLU 79 3.373 -6.597 -1.878 618 HA GLU 79 HA GLU 79 5.858 -5.366 -2.231 619 HB2 GLU 79 2HB GLU 79 5.163 -8.328 -2.163 620 HB3 GLU 79 1HB GLU 79 6.796 -7.685 -2.007 621 HG2 GLU 79 2HG GLU 79 6.178 -6.530 0.056 622 HG3 GLU 79 1HG GLU 79 4.514 -7.087 -0.107 623 H ALA 80 H ALA 80 3.899 -7.304 -4.448 624 HA ALA 80 HA ALA 80 5.784 -7.907 -6.448 625 HB1 ALA 80 3HB ALA 80 3.844 -8.293 -7.919 626 HB2 ALA 80 1HB ALA 80 2.797 -7.447 -6.768 627 HB3 ALA 80 2HB ALA 80 3.564 -8.966 -6.314 628 H VAL 81 H VAL 81 3.860 -4.999 -5.902 629 HA VAL 81 HA VAL 81 4.444 -3.609 -8.319 630 HB VAL 81 HB VAL 81 3.614 -2.643 -5.549 631 HG11 VAL 81 1HG1 VAL 81 3.009 -0.454 -6.579 632 HG12 VAL 81 2HG1 VAL 81 3.794 -0.956 -8.077 633 HG13 VAL 81 3HG1 VAL 81 4.749 -0.752 -6.610 634 HG21 VAL 81 3HG2 VAL 81 1.382 -2.364 -6.591 635 HG22 VAL 81 1HG2 VAL 81 1.943 -4.033 -6.712 636 HG23 VAL 81 2HG2 VAL 81 2.013 -2.971 -8.121 637 H PHE 82 H PHE 82 5.981 -3.547 -5.102 638 HA PHE 82 HA PHE 82 8.288 -2.029 -5.996 639 HB2 PHE 82 2HB PHE 82 7.868 -3.554 -3.388 640 HB3 PHE 82 1HB PHE 82 9.045 -2.271 -3.679 641 HD1 PHE 82 HD1 PHE 82 8.204 0.091 -4.157 642 HD2 PHE 82 HD2 PHE 82 5.617 -3.032 -2.807 643 HE1 PHE 82 HE1 PHE 82 6.477 1.749 -3.596 644 HE2 PHE 82 HE2 PHE 82 3.914 -1.374 -2.241 645 HZ PHE 82 HZ PHE 82 4.335 0.989 -2.656 646 H GLU 83 H GLU 83 7.545 -5.060 -6.870 647 HA GLU 83 HA GLU 83 10.335 -6.037 -6.850 648 HB2 GLU 83 2HB GLU 83 8.945 -7.168 -5.053 649 HB3 GLU 83 1HB GLU 83 7.886 -7.785 -6.307 650 HG2 GLU 83 2HG GLU 83 9.878 -9.006 -7.265 651 HG3 GLU 83 1HG GLU 83 10.801 -8.485 -5.857 652 H LEU 84 H LEU 84 9.534 -4.656 -8.920 653 HA LEU 84 HA LEU 84 8.268 -6.293 -10.985 654 HB2 LEU 84 2HB LEU 84 9.321 -3.444 -11.047 655 HB3 LEU 84 1HB LEU 84 8.539 -4.228 -12.410 656 HG LEU 84 HG LEU 84 7.224 -3.623 -9.726 657 HD11 LEU 84 1HD1 LEU 84 7.613 -1.594 -11.066 658 HD12 LEU 84 2HD1 LEU 84 5.896 -1.954 -10.907 659 HD13 LEU 84 3HD1 LEU 84 6.736 -2.316 -12.418 660 HD21 LEU 84 3HD2 LEU 84 6.283 -5.670 -10.697 661 HD22 LEU 84 1HD2 LEU 84 5.981 -4.832 -12.222 662 HD23 LEU 84 2HD2 LEU 84 5.110 -4.359 -10.760 663 H GLU 85 H GLU 85 10.979 -7.058 -9.914 664 HA GLU 85 HA GLU 85 12.784 -7.007 -12.134 665 HB2 GLU 85 2HB GLU 85 13.560 -7.524 -9.837 666 HB3 GLU 85 1HB GLU 85 12.563 -8.973 -9.806 667 HG2 GLU 85 2HG GLU 85 13.936 -9.861 -11.736 668 HG3 GLU 85 1HG GLU 85 14.996 -8.464 -11.554 669 H HIS 86 H HIS 86 12.105 -7.804 -14.051 670 HA HIS 86 HA HIS 86 10.224 -10.062 -14.199 671 HB2 HIS 86 2HB HIS 86 11.262 -8.309 -16.473 672 HB3 HIS 86 1HB HIS 86 9.881 -9.404 -16.525 673 HD1 HIS 86 HD1 HIS 86 10.511 -5.957 -16.390 674 HD2 HIS 86 HD2 HIS 86 7.911 -8.456 -14.333 675 HE1 HIS 86 HE1 HIS 86 8.722 -4.457 -15.479 676 HE2 HIS 86 HE2 HIS 86 7.084 -6.006 -14.364 677 H HIS 87 H HIS 87 13.472 -9.099 -15.193 678 HA HIS 87 HA HIS 87 14.442 -11.811 -15.317 679 HB2 HIS 87 2HB HIS 87 13.459 -11.696 -17.580 680 HB3 HIS 87 1HB HIS 87 14.303 -10.189 -17.905 681 HD1 HIS 87 HD1 HIS 87 16.221 -10.563 -19.420 682 HD2 HIS 87 HD2 HIS 87 15.621 -13.831 -16.924 683 HE1 HIS 87 HE1 HIS 87 17.988 -12.230 -20.057 684 HE2 HIS 87 HE2 HIS 87 17.492 -14.261 -18.661 685 H HIS 88 H HIS 88 14.972 -8.412 -16.123 686 HA HIS 88 HA HIS 88 17.838 -8.504 -15.559 687 HB2 HIS 88 2HB HIS 88 16.894 -7.180 -17.488 688 HB3 HIS 88 1HB HIS 88 16.052 -6.145 -16.347 689 HD1 HIS 88 HD1 HIS 88 17.465 -4.345 -15.132 690 HD2 HIS 88 HD2 HIS 88 19.681 -6.757 -17.689 691 HE1 HIS 88 HE1 HIS 88 19.688 -3.210 -15.372 692 HE2 HIS 88 HE2 HIS 88 21.060 -4.757 -16.798 693 H HIS 89 H HIS 89 18.736 -7.838 -13.668 694 HA HIS 89 HA HIS 89 17.124 -7.291 -11.341 695 HB2 HIS 89 2HB HIS 89 20.158 -7.124 -11.682 696 HB3 HIS 89 1HB HIS 89 19.301 -7.115 -10.145 697 HD1 HIS 89 HD1 HIS 89 20.621 -9.384 -12.768 698 HD2 HIS 89 HD2 HIS 89 18.303 -9.650 -9.327 699 HE1 HIS 89 HE1 HIS 89 20.567 -11.825 -12.176 700 HE2 HIS 89 HE2 HIS 89 19.100 -11.974 -10.137 701 H HIS 90 H HIS 90 17.063 -5.324 -10.125 702 HA HIS 90 HA HIS 90 18.439 -2.951 -11.208 703 HB2 HIS 90 2HB HIS 90 16.127 -2.844 -12.118 704 HB3 HIS 90 1HB HIS 90 15.468 -2.974 -10.488 705 HD1 HIS 90 HD1 HIS 90 15.134 -0.803 -9.251 706 HD2 HIS 90 HD2 HIS 90 17.667 -0.353 -12.517 707 HE1 HIS 90 HE1 HIS 90 15.585 1.666 -9.421 708 HE2 HIS 90 HE2 HIS 90 17.155 1.909 -11.374 709 H HIS 91 H HIS 91 19.862 -2.886 -9.527 710 HA HIS 91 HA HIS 91 18.930 -1.643 -7.094 711 HB2 HIS 91 2HB HIS 91 18.762 -4.009 -6.388 712 HB3 HIS 91 1HB HIS 91 20.415 -4.313 -6.911 713 HD1 HIS 91 HD1 HIS 91 18.572 -2.124 -4.402 714 HD2 HIS 91 HD2 HIS 91 22.255 -3.997 -4.909 715 HE1 HIS 91 HE1 HIS 91 19.848 -1.689 -2.283 716 HE2 HIS 91 HE2 HIS 91 22.064 -2.838 -2.597 Start of MODEL 7 1 H1 MET 1 1H MET 1 12.774 1.269 -2.136 2 H2 MET 1 2H MET 1 12.707 2.623 -3.130 3 H3 MET 1 3H MET 1 12.670 1.078 -3.805 4 HA MET 1 HA MET 1 10.611 2.209 -2.012 5 HB2 MET 1 2HB MET 1 10.577 1.833 -5.043 6 HB3 MET 1 1HB MET 1 9.193 2.342 -4.080 7 HG2 MET 1 2HG MET 1 10.338 4.395 -3.446 8 HG3 MET 1 1HG MET 1 11.800 3.870 -4.286 9 HE1 MET 1 3HE MET 1 11.965 6.117 -5.664 10 HE2 MET 1 1HE MET 1 10.548 6.738 -4.817 11 HE3 MET 1 2HE MET 1 10.628 6.812 -6.578 12 H LYS 2 H LYS 2 12.188 -0.546 -2.615 13 HA LYS 2 HA LYS 2 9.957 -2.345 -3.213 14 HB2 LYS 2 2HB LYS 2 11.721 -4.085 -3.338 15 HB3 LYS 2 1HB LYS 2 12.105 -2.700 -4.356 16 HG2 LYS 2 2HG LYS 2 13.745 -1.898 -2.783 17 HG3 LYS 2 1HG LYS 2 13.245 -3.077 -1.569 18 HD2 LYS 2 2HD LYS 2 14.078 -4.910 -3.019 19 HD3 LYS 2 1HD LYS 2 14.589 -3.721 -4.224 20 HE2 LYS 2 2HE LYS 2 16.215 -2.780 -2.669 21 HE3 LYS 2 1HE LYS 2 15.627 -3.813 -1.366 22 HZ1 LYS 2 3HZ LYS 2 17.659 -4.668 -2.313 23 HZ2 LYS 2 1HZ LYS 2 16.961 -4.735 -3.850 24 HZ3 LYS 2 2HZ LYS 2 16.387 -5.738 -2.619 25 H ILE 3 H ILE 3 9.604 -1.064 -0.755 26 HA ILE 3 HA ILE 3 9.164 -1.295 1.435 27 HB ILE 3 HB ILE 3 8.903 -4.243 0.745 28 HG12 ILE 3 2HG1 ILE 3 6.817 -2.016 0.613 29 HG13 ILE 3 1HG1 ILE 3 7.528 -2.851 -0.760 30 HG21 ILE 3 1HG2 ILE 3 7.668 -2.676 3.050 31 HG22 ILE 3 2HG2 ILE 3 8.962 -3.865 3.184 32 HG23 ILE 3 3HG2 ILE 3 7.351 -4.377 2.685 33 HD11 ILE 3 3HD1 ILE 3 5.282 -3.624 -0.321 34 HD12 ILE 3 1HD1 ILE 3 5.728 -4.075 1.325 35 HD13 ILE 3 2HD1 ILE 3 6.440 -4.923 -0.050 36 H ILE 4 H ILE 4 10.861 -0.800 2.682 37 HA ILE 4 HA ILE 4 13.208 -2.459 2.995 38 HB ILE 4 HB ILE 4 12.369 0.220 4.159 39 HG12 ILE 4 2HG1 ILE 4 13.040 0.236 1.792 40 HG13 ILE 4 1HG1 ILE 4 14.210 1.111 2.768 41 HG21 ILE 4 1HG2 ILE 4 14.987 -1.204 4.752 42 HG22 ILE 4 2HG2 ILE 4 13.708 -0.840 5.909 43 HG23 ILE 4 3HG2 ILE 4 14.622 0.474 5.168 44 HD11 ILE 4 3HD1 ILE 4 15.702 -0.852 2.689 45 HD12 ILE 4 1HD1 ILE 4 15.331 -0.198 1.094 46 HD13 ILE 4 2HD1 ILE 4 14.534 -1.670 1.646 47 H SER 5 H SER 5 10.530 -1.342 5.080 48 HA SER 5 HA SER 5 10.904 -3.630 6.839 49 HB2 SER 5 2HB SER 5 12.468 -1.758 7.635 50 HB3 SER 5 1HB SER 5 11.024 -0.831 8.033 51 HG SER 5 HG SER 5 11.957 -3.245 9.144 52 H ILE 6 H ILE 6 9.147 -4.049 8.166 53 HA ILE 6 HA ILE 6 6.600 -2.974 7.165 54 HB ILE 6 HB ILE 6 7.272 -5.525 8.693 55 HG12 ILE 6 2HG1 ILE 6 7.933 -5.506 6.283 56 HG13 ILE 6 1HG1 ILE 6 6.692 -6.700 6.622 57 HG21 ILE 6 1HG2 ILE 6 4.532 -4.623 7.732 58 HG22 ILE 6 2HG2 ILE 6 5.047 -4.794 9.411 59 HG23 ILE 6 3HG2 ILE 6 4.913 -6.220 8.382 60 HD11 ILE 6 3HD1 ILE 6 6.306 -5.580 4.505 61 HD12 ILE 6 1HD1 ILE 6 6.242 -4.014 5.313 62 HD13 ILE 6 2HD1 ILE 6 5.001 -5.228 5.637 63 H SER 7 H SER 7 6.084 -1.239 8.265 64 HA SER 7 HA SER 7 4.950 -0.033 9.736 65 HB2 SER 7 2HB SER 7 3.713 -2.170 10.097 66 HB3 SER 7 1HB SER 7 4.743 -2.483 11.493 67 HG SER 7 HG SER 7 3.116 -1.441 12.399 68 H GLU 8 H GLU 8 5.353 1.425 11.239 69 HA GLU 8 HA GLU 8 7.344 0.968 13.367 70 HB2 GLU 8 2HB GLU 8 6.598 3.399 11.751 71 HB3 GLU 8 1HB GLU 8 7.196 3.611 13.375 72 HG2 GLU 8 2HG GLU 8 8.699 2.183 11.166 73 HG3 GLU 8 1HG GLU 8 8.925 3.875 11.595 74 H THR 9 H THR 9 4.207 1.121 12.741 75 HA THR 9 HA THR 9 3.253 2.471 15.169 76 HB THR 9 HB THR 9 1.612 1.632 12.725 77 HG1 THR 9 HG1 THR 9 3.014 4.079 13.206 78 HG21 THR 9 3HG2 THR 9 0.033 3.365 13.491 79 HG22 THR 9 1HG2 THR 9 1.101 3.764 14.841 80 HG23 THR 9 2HG2 THR 9 0.310 2.188 14.777 81 HA PRO 10 HA PRO 10 2.318 -1.783 16.556 82 HB2 PRO 10 2HB PRO 10 1.011 -1.209 18.898 83 HB3 PRO 10 1HB PRO 10 2.770 -1.024 18.726 84 HG2 PRO 10 2HG PRO 10 0.629 1.085 18.529 85 HG3 PRO 10 1HG PRO 10 2.176 1.129 19.408 86 HD2 PRO 10 2HD PRO 10 1.883 2.299 16.967 87 HD3 PRO 10 1HD PRO 10 3.422 1.573 17.486 88 H ASN 11 H ASN 11 0.109 0.531 15.484 89 HA ASN 11 HA ASN 11 -2.352 -0.909 15.873 90 HB2 ASN 11 2HB ASN 11 -2.377 1.548 15.673 91 HB3 ASN 11 1HB ASN 11 -1.681 1.453 14.059 92 HD21 ASN 11 1HD2 ASN 11 -3.397 2.536 13.111 93 HD22 ASN 11 2HD2 ASN 11 -4.980 1.863 12.952 94 H HIS 12 H HIS 12 -2.985 -2.608 14.711 95 HA HIS 12 HA HIS 12 -1.464 -3.628 12.490 96 HB2 HIS 12 2HB HIS 12 -3.066 -5.530 12.562 97 HB3 HIS 12 1HB HIS 12 -2.410 -5.160 14.149 98 HD1 HIS 12 HD1 HIS 12 -4.078 -4.692 15.988 99 HD2 HIS 12 HD2 HIS 12 -5.821 -4.690 12.222 100 HE1 HIS 12 HE1 HIS 12 -6.548 -4.504 16.389 101 HE2 HIS 12 HE2 HIS 12 -7.579 -4.426 14.084 102 H ASN 13 H ASN 13 -4.206 -1.551 12.741 103 HA ASN 13 HA ASN 13 -5.603 -2.186 10.341 104 HB2 ASN 13 2HB ASN 13 -5.459 0.527 11.732 105 HB3 ASN 13 1HB ASN 13 -6.666 0.028 10.551 106 HD21 ASN 13 1HD2 ASN 13 -8.306 0.501 12.055 107 HD22 ASN 13 2HD2 ASN 13 -8.654 -0.552 13.380 108 H THR 14 H THR 14 -3.262 0.434 11.078 109 HA THR 14 HA THR 14 -2.608 0.562 8.197 110 HB THR 14 HB THR 14 -3.726 2.626 8.880 111 HG1 THR 14 HG1 THR 14 -2.327 3.163 7.390 112 HG21 THR 14 3HG2 THR 14 -3.136 2.678 11.298 113 HG22 THR 14 1HG2 THR 14 -2.724 4.197 10.498 114 HG23 THR 14 2HG2 THR 14 -1.459 3.028 10.880 115 H MET 15 H MET 15 -0.609 0.027 7.636 116 HA MET 15 HA MET 15 1.527 -0.011 9.703 117 HB2 MET 15 2HB MET 15 1.276 -1.666 7.160 118 HB3 MET 15 1HB MET 15 2.716 -1.634 8.172 119 HG2 MET 15 2HG MET 15 1.208 -2.424 10.085 120 HG3 MET 15 1HG MET 15 -0.000 -2.756 8.843 121 HE1 MET 15 3HE MET 15 2.274 -5.259 6.591 122 HE2 MET 15 1HE MET 15 2.504 -3.513 6.539 123 HE3 MET 15 2HE MET 15 0.877 -4.188 6.535 124 H LYS 16 H LYS 16 3.276 1.094 9.444 125 HA LYS 16 HA LYS 16 3.685 3.022 7.323 126 HB2 LYS 16 2HB LYS 16 4.133 3.509 9.724 127 HB3 LYS 16 1HB LYS 16 5.324 2.232 9.791 128 HG2 LYS 16 2HG LYS 16 5.724 4.611 7.973 129 HG3 LYS 16 1HG LYS 16 6.083 4.722 9.691 130 HD2 LYS 16 2HD LYS 16 7.591 2.667 9.341 131 HD3 LYS 16 1HD LYS 16 7.407 2.955 7.611 132 HE2 LYS 16 2HE LYS 16 8.505 5.001 9.575 133 HE3 LYS 16 1HE LYS 16 9.509 3.910 8.628 134 HZ1 LYS 16 3HZ LYS 16 8.632 4.935 6.610 135 HZ2 LYS 16 1HZ LYS 16 9.382 6.074 7.608 136 HZ3 LYS 16 2HZ LYS 16 7.701 5.993 7.541 137 H ILE 17 H ILE 17 4.061 1.772 5.411 138 HA ILE 17 HA ILE 17 6.108 -0.276 5.358 139 HB ILE 17 HB ILE 17 4.560 1.087 3.107 140 HG12 ILE 17 2HG1 ILE 17 4.408 -1.724 4.308 141 HG13 ILE 17 1HG1 ILE 17 3.228 -0.437 4.519 142 HG21 ILE 17 1HG2 ILE 17 6.565 -1.190 2.838 143 HG22 ILE 17 2HG2 ILE 17 6.765 0.451 2.222 144 HG23 ILE 17 3HG2 ILE 17 5.513 -0.591 1.553 145 HD11 ILE 17 3HD1 ILE 17 2.410 -2.076 2.955 146 HD12 ILE 17 1HD1 ILE 17 3.853 -1.903 1.955 147 HD13 ILE 17 2HD1 ILE 17 2.713 -0.564 2.100 148 H THR 18 H THR 18 7.988 0.520 5.970 149 HA THR 18 HA THR 18 9.056 3.071 5.507 150 HB THR 18 HB THR 18 10.668 0.546 6.083 151 HG1 THR 18 HG1 THR 18 10.150 0.903 8.266 152 HG21 THR 18 3HG2 THR 18 12.130 2.077 7.350 153 HG22 THR 18 1HG2 THR 18 11.099 3.442 6.910 154 HG23 THR 18 2HG2 THR 18 12.015 2.590 5.665 155 H LEU 19 H LEU 19 10.060 3.915 3.730 156 HA LEU 19 HA LEU 19 11.309 2.092 1.755 157 HB2 LEU 19 2HB LEU 19 10.241 4.907 1.278 158 HB3 LEU 19 1HB LEU 19 10.965 3.851 0.072 159 HG LEU 19 HG LEU 19 8.263 3.513 1.436 160 HD11 LEU 19 1HD1 LEU 19 7.354 3.653 -0.832 161 HD12 LEU 19 2HD1 LEU 19 8.981 3.896 -1.476 162 HD13 LEU 19 3HD1 LEU 19 8.265 5.103 -0.403 163 HD21 LEU 19 3HD2 LEU 19 7.940 1.456 0.101 164 HD22 LEU 19 1HD2 LEU 19 9.243 1.280 1.277 165 HD23 LEU 19 2HD2 LEU 19 9.622 1.537 -0.427 166 H SER 20 H SER 20 13.361 2.722 0.922 167 HA SER 20 HA SER 20 15.098 3.892 2.919 168 HB2 SER 20 2HB SER 20 15.707 1.890 1.503 169 HB3 SER 20 1HB SER 20 15.802 2.951 0.103 170 HG SER 20 HG SER 20 17.453 2.860 2.387 171 H GLU 21 H GLU 21 13.296 5.093 0.343 172 HA GLU 21 HA GLU 21 15.044 7.326 -0.351 173 HB2 GLU 21 2HB GLU 21 12.295 6.574 -1.443 174 HB3 GLU 21 1HB GLU 21 13.365 7.806 -2.094 175 HG2 GLU 21 2HG GLU 21 13.459 5.861 -3.517 176 HG3 GLU 21 1HG GLU 21 15.007 6.037 -2.694 177 H SER 22 H SER 22 14.720 7.752 2.068 178 HA SER 22 HA SER 22 12.335 9.175 2.863 179 HB2 SER 22 2HB SER 22 15.075 8.956 4.198 180 HB3 SER 22 1HB SER 22 13.593 9.535 4.956 181 HG SER 22 HG SER 22 13.294 7.083 3.804 182 H ARG 23 H ARG 23 13.275 11.436 4.124 183 HA ARG 23 HA ARG 23 13.656 13.652 3.844 184 HB2 ARG 23 2HB ARG 23 15.207 12.948 1.304 185 HB3 ARG 23 1HB ARG 23 15.186 14.521 2.096 186 HG2 ARG 23 2HG ARG 23 16.406 13.638 3.996 187 HG3 ARG 23 1HG ARG 23 16.293 11.995 3.360 188 HD2 ARG 23 2HD ARG 23 17.687 12.612 1.444 189 HD3 ARG 23 1HD ARG 23 17.739 14.288 2.001 190 HE ARG 23 HE ARG 23 18.715 12.648 4.053 191 HH11 ARG 23 1HH1 ARG 23 19.696 13.637 0.824 192 HH12 ARG 23 2HH1 ARG 23 21.388 13.466 1.160 193 HH21 ARG 23 1HH2 ARG 23 20.947 12.467 4.478 194 HH22 ARG 23 2HH2 ARG 23 22.095 12.806 3.226 195 H GLU 24 H GLU 24 13.154 15.483 2.253 196 HA GLU 24 HA GLU 24 11.947 16.622 0.756 197 HB2 GLU 24 2HB GLU 24 12.940 15.130 -0.950 198 HB3 GLU 24 1HB GLU 24 11.644 13.964 -0.707 199 HG2 GLU 24 2HG GLU 24 10.006 15.644 -1.530 200 HG3 GLU 24 1HG GLU 24 11.329 16.774 -1.828 201 H GLY 25 H GLY 25 10.137 13.547 0.681 202 HA2 GLY 25 2HA GLY 25 8.026 13.977 2.317 203 HA3 GLY 25 1HA GLY 25 7.600 14.904 0.882 204 H MET 26 H MET 26 9.155 12.921 -0.762 205 HA MET 26 HA MET 26 8.523 11.398 -2.315 206 HB2 MET 26 2HB MET 26 9.774 10.125 -0.616 207 HB3 MET 26 1HB MET 26 8.281 9.757 0.231 208 HG2 MET 26 2HG MET 26 9.154 7.863 -1.122 209 HG3 MET 26 1HG MET 26 7.525 8.351 -1.583 210 HE1 MET 26 3HE MET 26 11.290 9.377 -4.081 211 HE2 MET 26 1HE MET 26 11.346 8.375 -2.632 212 HE3 MET 26 2HE MET 26 10.968 10.093 -2.502 213 H THR 27 H THR 27 6.622 12.693 -2.765 214 HA THR 27 HA THR 27 4.478 13.298 -2.993 215 HB THR 27 HB THR 27 2.880 11.544 -3.736 216 HG1 THR 27 HG1 THR 27 4.115 9.907 -2.280 217 HG21 THR 27 3HG2 THR 27 4.461 12.526 -5.372 218 HG22 THR 27 1HG2 THR 27 4.095 10.843 -5.753 219 HG23 THR 27 2HG2 THR 27 5.634 11.260 -4.996 220 H SER 28 H SER 28 3.608 14.241 -1.273 221 HA SER 28 HA SER 28 2.792 12.740 1.110 222 HB2 SER 28 2HB SER 28 2.370 15.041 2.066 223 HB3 SER 28 1HB SER 28 4.034 14.795 1.545 224 HG SER 28 HG SER 28 2.185 15.916 -0.248 225 H ASP 29 H ASP 29 1.175 11.613 -0.193 226 HA ASP 29 HA ASP 29 -1.288 13.155 -0.777 227 HB2 ASP 29 2HB ASP 29 0.087 10.997 -2.408 228 HB3 ASP 29 1HB ASP 29 -1.642 11.267 -2.580 229 H THR 30 H THR 30 -3.211 11.800 -0.951 230 HA THR 30 HA THR 30 -3.279 9.520 0.930 231 HB THR 30 HB THR 30 -5.529 11.564 0.612 232 HG1 THR 30 HG1 THR 30 -3.190 11.779 2.022 233 HG21 THR 30 3HG2 THR 30 -6.342 10.636 2.749 234 HG22 THR 30 1HG2 THR 30 -4.976 9.506 2.793 235 HG23 THR 30 2HG2 THR 30 -6.205 9.368 1.536 236 H TYR 31 H TYR 31 -3.338 7.951 -0.605 237 HA TYR 31 HA TYR 31 -4.911 8.121 -3.038 238 HB2 TYR 31 2HB TYR 31 -3.323 5.760 -1.934 239 HB3 TYR 31 1HB TYR 31 -3.912 5.949 -3.579 240 HD1 TYR 31 HD2 TYR 31 -1.440 7.226 -1.104 241 HD2 TYR 31 HD1 TYR 31 -2.612 7.178 -5.211 242 HE1 TYR 31 HE2 TYR 31 0.697 8.208 -1.746 243 HE2 TYR 31 HE1 TYR 31 -0.449 8.156 -5.830 244 HH TYR 31 HH TYR 31 1.378 9.517 -4.752 245 H THR 32 H THR 32 -7.066 8.047 -2.507 246 HA THR 32 HA THR 32 -8.111 5.705 -1.022 247 HB THR 32 HB THR 32 -10.033 7.266 -0.360 248 HG1 THR 32 HG1 THR 32 -9.718 9.464 -0.640 249 HG21 THR 32 3HG2 THR 32 -8.839 8.386 1.478 250 HG22 THR 32 1HG2 THR 32 -7.294 8.072 0.680 251 HG23 THR 32 2HG2 THR 32 -8.264 6.728 1.284 252 H LYS 33 H LYS 33 -9.191 8.304 -3.242 253 HA LYS 33 HA LYS 33 -11.424 6.707 -4.115 254 HB2 LYS 33 2HB LYS 33 -12.131 8.737 -5.352 255 HB3 LYS 33 1HB LYS 33 -11.759 9.082 -3.664 256 HG2 LYS 33 2HG LYS 33 -9.545 9.971 -4.324 257 HG3 LYS 33 1HG LYS 33 -9.915 9.628 -6.016 258 HD2 LYS 33 2HD LYS 33 -11.450 11.560 -4.231 259 HD3 LYS 33 1HD LYS 33 -10.236 12.021 -5.427 260 HE2 LYS 33 2HE LYS 33 -11.652 11.088 -7.221 261 HE3 LYS 33 1HE LYS 33 -12.865 10.619 -6.031 262 HZ1 LYS 33 3HZ LYS 33 -13.416 12.674 -7.151 263 HZ2 LYS 33 1HZ LYS 33 -11.998 13.400 -6.585 264 HZ3 LYS 33 2HZ LYS 33 -13.201 12.925 -5.495 265 H VAL 34 H VAL 34 -8.344 6.691 -5.093 266 HA VAL 34 HA VAL 34 -7.104 6.027 -6.865 267 HB VAL 34 HB VAL 34 -9.720 4.932 -7.997 268 HG11 VAL 34 1HG1 VAL 34 -8.330 3.190 -9.082 269 HG12 VAL 34 2HG1 VAL 34 -6.879 3.947 -8.419 270 HG13 VAL 34 3HG1 VAL 34 -7.858 4.811 -9.602 271 HG21 VAL 34 3HG2 VAL 34 -9.504 4.148 -5.683 272 HG22 VAL 34 1HG2 VAL 34 -7.871 3.567 -6.010 273 HG23 VAL 34 2HG2 VAL 34 -9.253 2.804 -6.800 274 H ASP 35 H ASP 35 -6.735 6.396 -9.279 275 HA ASP 35 HA ASP 35 -6.608 7.647 -11.153 276 HB2 ASP 35 2HB ASP 35 -9.497 8.416 -10.516 277 HB3 ASP 35 1HB ASP 35 -8.672 8.833 -12.013 278 H ASP 36 H ASP 36 -5.018 9.087 -10.550 279 HA ASP 36 HA ASP 36 -5.853 11.855 -10.207 280 HB2 ASP 36 2HB ASP 36 -5.660 11.091 -7.840 281 HB3 ASP 36 1HB ASP 36 -4.014 10.543 -8.137 282 H SER 37 H SER 37 -2.792 10.118 -9.646 283 HA SER 37 HA SER 37 -1.623 10.722 -12.179 284 HB2 SER 37 2HB SER 37 -1.586 13.001 -11.034 285 HB3 SER 37 1HB SER 37 -0.519 12.311 -9.815 286 HG SER 37 HG SER 37 -0.033 12.838 -12.534 287 H GLN 38 H GLN 38 -2.067 8.531 -10.199 288 HA GLN 38 HA GLN 38 0.698 7.758 -9.552 289 HB2 GLN 38 2HB GLN 38 -0.134 6.359 -7.778 290 HB3 GLN 38 1HB GLN 38 -0.824 7.957 -7.578 291 HG2 GLN 38 2HG GLN 38 -2.312 5.587 -8.752 292 HG3 GLN 38 1HG GLN 38 -2.365 6.049 -7.056 293 HE21 GLN 38 1HE2 GLN 38 -3.449 7.976 -6.474 294 HE22 GLN 38 2HE2 GLN 38 -4.626 8.689 -7.514 295 HA PRO 39 HA PRO 39 0.789 4.600 -12.729 296 HB2 PRO 39 2HB PRO 39 1.902 2.915 -10.466 297 HB3 PRO 39 1HB PRO 39 2.499 3.100 -12.131 298 HG2 PRO 39 2HG PRO 39 3.701 4.390 -10.154 299 HG3 PRO 39 1HG PRO 39 3.432 5.186 -11.723 300 HD2 PRO 39 2HD PRO 39 1.995 5.620 -9.127 301 HD3 PRO 39 1HD PRO 39 2.362 6.776 -10.425 302 H ALA 40 H ALA 40 -0.376 2.868 -13.459 303 HA ALA 40 HA ALA 40 -2.829 2.127 -12.377 304 HB1 ALA 40 3HB ALA 40 -2.252 1.828 -14.768 305 HB2 ALA 40 1HB ALA 40 -2.867 0.326 -14.070 306 HB3 ALA 40 2HB ALA 40 -1.134 0.533 -14.339 307 H PHE 41 H PHE 41 0.340 0.671 -12.005 308 HA PHE 41 HA PHE 41 -0.100 -1.657 -10.591 309 HB2 PHE 41 2HB PHE 41 2.078 0.419 -10.086 310 HB3 PHE 41 1HB PHE 41 2.125 -1.253 -9.550 311 HD1 PHE 41 HD2 PHE 41 2.335 0.976 -12.505 312 HD2 PHE 41 HD1 PHE 41 2.751 -3.042 -11.083 313 HE1 PHE 41 HE2 PHE 41 3.479 0.356 -14.586 314 HE2 PHE 41 HE1 PHE 41 3.901 -3.649 -13.168 315 HZ PHE 41 HZ PHE 41 4.268 -1.955 -14.921 316 H ILE 42 H ILE 42 0.161 1.650 -9.312 317 HA ILE 42 HA ILE 42 -0.361 0.992 -6.576 318 HB ILE 42 HB ILE 42 -0.549 3.696 -7.986 319 HG12 ILE 42 2HG1 ILE 42 1.715 2.735 -8.269 320 HG13 ILE 42 1HG1 ILE 42 1.768 4.120 -7.185 321 HG21 ILE 42 1HG2 ILE 42 -0.208 4.704 -5.744 322 HG22 ILE 42 2HG2 ILE 42 -0.265 3.097 -5.015 323 HG23 ILE 42 3HG2 ILE 42 -1.693 3.751 -5.817 324 HD11 ILE 42 3HD1 ILE 42 3.213 2.354 -6.406 325 HD12 ILE 42 1HD1 ILE 42 1.863 1.217 -6.375 326 HD13 ILE 42 2HD1 ILE 42 1.887 2.592 -5.270 327 H ASN 43 H ASN 43 -2.365 1.809 -9.383 328 HA ASN 43 HA ASN 43 -4.749 2.526 -7.942 329 HB2 ASN 43 2HB ASN 43 -4.281 1.653 -10.822 330 HB3 ASN 43 1HB ASN 43 -5.885 1.990 -10.196 331 HD21 ASN 43 1HD2 ASN 43 -2.891 3.784 -9.522 332 HD22 ASN 43 2HD2 ASN 43 -3.424 5.250 -10.255 333 H ASP 44 H ASP 44 -3.366 -0.430 -9.264 334 HA ASP 44 HA ASP 44 -5.540 -2.181 -8.837 335 HB2 ASP 44 2HB ASP 44 -3.679 -2.767 -10.347 336 HB3 ASP 44 1HB ASP 44 -2.557 -2.783 -8.993 337 H ILE 45 H ILE 45 -2.712 -1.281 -6.837 338 HA ILE 45 HA ILE 45 -3.125 -2.977 -4.640 339 HB ILE 45 HB ILE 45 -2.000 -0.135 -4.514 340 HG12 ILE 45 2HG1 ILE 45 -0.498 -2.782 -4.821 341 HG13 ILE 45 1HG1 ILE 45 -0.722 -1.591 -6.096 342 HG21 ILE 45 1HG2 ILE 45 -0.878 -0.874 -2.420 343 HG22 ILE 45 2HG2 ILE 45 -1.692 -2.436 -2.537 344 HG23 ILE 45 3HG2 ILE 45 -2.635 -0.967 -2.281 345 HD11 ILE 45 3HD1 ILE 45 1.511 -1.462 -5.158 346 HD12 ILE 45 1HD1 ILE 45 0.853 -1.186 -3.545 347 HD13 ILE 45 2HD1 ILE 45 0.626 0.023 -4.814 348 H LEU 46 H LEU 46 -4.366 0.301 -5.249 349 HA LEU 46 HA LEU 46 -5.898 0.633 -2.914 350 HB2 LEU 46 2HB LEU 46 -6.353 1.780 -5.695 351 HB3 LEU 46 1HB LEU 46 -7.119 2.373 -4.224 352 HG LEU 46 HG LEU 46 -4.127 2.422 -4.777 353 HD11 LEU 46 1HD1 LEU 46 -4.355 4.845 -4.996 354 HD12 LEU 46 2HD1 LEU 46 -6.108 4.710 -4.823 355 HD13 LEU 46 3HD1 LEU 46 -5.300 3.999 -6.224 356 HD21 LEU 46 3HD2 LEU 46 -3.957 3.782 -2.750 357 HD22 LEU 46 1HD2 LEU 46 -4.631 2.194 -2.384 358 HD23 LEU 46 2HD2 LEU 46 -5.689 3.607 -2.463 359 H LYS 47 H LYS 47 -6.627 -0.919 -5.988 360 HA LYS 47 HA LYS 47 -9.425 -1.404 -5.382 361 HB2 LYS 47 2HB LYS 47 -7.692 -2.301 -7.718 362 HB3 LYS 47 1HB LYS 47 -9.420 -2.627 -7.581 363 HG2 LYS 47 2HG LYS 47 -9.909 -0.228 -7.636 364 HG3 LYS 47 1HG LYS 47 -8.184 0.146 -7.679 365 HD2 LYS 47 2HD LYS 47 -8.032 -1.062 -9.874 366 HD3 LYS 47 1HD LYS 47 -9.781 -1.303 -9.825 367 HE2 LYS 47 2HE LYS 47 -8.381 1.398 -9.880 368 HE3 LYS 47 1HE LYS 47 -9.120 0.610 -11.272 369 HZ1 LYS 47 3HZ LYS 47 -11.262 0.702 -10.070 370 HZ2 LYS 47 1HZ LYS 47 -10.618 2.234 -10.400 371 HZ3 LYS 47 2HZ LYS 47 -10.521 1.592 -8.842 372 H VAL 48 H VAL 48 -6.475 -3.019 -4.588 373 HA VAL 48 HA VAL 48 -7.422 -5.710 -4.419 374 HB VAL 48 HB VAL 48 -5.333 -4.353 -2.629 375 HG11 VAL 48 1HG1 VAL 48 -5.889 -7.335 -2.976 376 HG12 VAL 48 2HG1 VAL 48 -6.218 -6.385 -1.525 377 HG13 VAL 48 3HG1 VAL 48 -4.555 -6.640 -2.050 378 HG21 VAL 48 3HG2 VAL 48 -3.653 -5.501 -4.039 379 HG22 VAL 48 1HG2 VAL 48 -4.628 -4.370 -4.975 380 HG23 VAL 48 2HG2 VAL 48 -4.941 -6.102 -5.086 381 H GLU 49 H GLU 49 -9.301 -6.145 -3.431 382 HA GLU 49 HA GLU 49 -10.566 -4.683 -1.432 383 HB2 GLU 49 2HB GLU 49 -11.916 -6.808 -1.041 384 HB3 GLU 49 1HB GLU 49 -11.887 -6.205 -2.694 385 HG2 GLU 49 2HG GLU 49 -10.251 -7.911 -3.324 386 HG3 GLU 49 1HG GLU 49 -10.171 -8.488 -1.661 387 H GLY 50 H GLY 50 -9.793 -4.207 0.483 388 HA2 GLY 50 2HA GLY 50 -9.294 -5.460 2.712 389 HA3 GLY 50 1HA GLY 50 -7.849 -5.966 1.838 390 H VAL 51 H VAL 51 -7.391 -3.609 0.387 391 HA VAL 51 HA VAL 51 -5.574 -2.376 2.133 392 HB VAL 51 HB VAL 51 -6.488 -1.717 -0.688 393 HG11 VAL 51 1HG1 VAL 51 -4.243 -0.285 0.792 394 HG12 VAL 51 2HG1 VAL 51 -5.751 0.440 0.236 395 HG13 VAL 51 3HG1 VAL 51 -4.577 -0.156 -0.936 396 HG21 VAL 51 3HG2 VAL 51 -3.893 -2.882 0.410 397 HG22 VAL 51 1HG2 VAL 51 -4.248 -2.577 -1.295 398 HG23 VAL 51 2HG2 VAL 51 -5.181 -3.776 -0.405 399 H LYS 52 H LYS 52 -8.677 -1.205 0.977 400 HA LYS 52 HA LYS 52 -10.109 0.419 1.449 401 HB2 LYS 52 2HB LYS 52 -10.054 -0.332 3.745 402 HB3 LYS 52 1HB LYS 52 -8.541 0.509 4.039 403 HG2 LYS 52 2HG LYS 52 -9.768 2.700 3.675 404 HG3 LYS 52 1HG LYS 52 -11.270 1.774 3.598 405 HD2 LYS 52 2HD LYS 52 -9.365 1.872 5.977 406 HD3 LYS 52 1HD LYS 52 -10.872 2.784 5.839 407 HE2 LYS 52 2HE LYS 52 -12.154 0.697 5.795 408 HE3 LYS 52 1HE LYS 52 -10.665 -0.247 5.842 409 HZ1 LYS 52 3HZ LYS 52 -11.619 1.585 7.963 410 HZ2 LYS 52 1HZ LYS 52 -10.197 0.676 8.012 411 HZ3 LYS 52 2HZ LYS 52 -11.698 -0.101 7.996 412 H SER 53 H SER 53 -7.099 1.719 2.901 413 HA SER 53 HA SER 53 -7.033 3.918 0.937 414 HB2 SER 53 2HB SER 53 -6.895 5.599 2.817 415 HB3 SER 53 1HB SER 53 -8.470 4.820 2.673 416 HG SER 53 HG SER 53 -7.303 3.288 4.336 417 H ILE 54 H ILE 54 -5.049 5.062 0.907 418 HA ILE 54 HA ILE 54 -2.779 4.000 2.471 419 HB ILE 54 HB ILE 54 -2.891 4.482 -0.541 420 HG12 ILE 54 2HG1 ILE 54 -1.977 2.068 1.096 421 HG13 ILE 54 1HG1 ILE 54 -3.482 2.202 0.195 422 HG21 ILE 54 1HG2 ILE 54 -0.428 4.191 -0.655 423 HG22 ILE 54 2HG2 ILE 54 -0.350 4.215 1.108 424 HG23 ILE 54 3HG2 ILE 54 -0.888 5.647 0.231 425 HD11 ILE 54 3HD1 ILE 54 -1.885 0.822 -0.982 426 HD12 ILE 54 1HD1 ILE 54 -0.702 2.131 -0.975 427 HD13 ILE 54 2HD1 ILE 54 -2.196 2.294 -1.900 428 H PHE 55 H PHE 55 -1.671 5.613 3.450 429 HA PHE 55 HA PHE 55 -1.888 8.382 2.428 430 HB2 PHE 55 2HB PHE 55 -2.969 8.018 4.676 431 HB3 PHE 55 1HB PHE 55 -1.403 7.527 5.312 432 HD1 PHE 55 HD1 PHE 55 -3.124 10.371 3.615 433 HD2 PHE 55 HD2 PHE 55 0.071 9.189 6.194 434 HE1 PHE 55 HE1 PHE 55 -2.608 12.725 4.055 435 HE2 PHE 55 HE2 PHE 55 0.580 11.552 6.626 436 HZ PHE 55 HZ PHE 55 -0.759 13.320 5.559 437 H HIS 56 H HIS 56 -0.078 8.683 1.273 438 HA HIS 56 HA HIS 56 2.498 7.571 2.168 439 HB2 HIS 56 2HB HIS 56 1.558 7.312 -0.226 440 HB3 HIS 56 1HB HIS 56 1.910 9.016 -0.444 441 HD1 HIS 56 HD1 HIS 56 3.259 7.591 -2.440 442 HD2 HIS 56 HD2 HIS 56 4.905 7.709 1.377 443 HE1 HIS 56 HE1 HIS 56 5.642 6.844 -2.708 444 HE2 HIS 56 HE2 HIS 56 6.624 6.941 -0.386 445 H VAL 57 H VAL 57 3.933 8.864 3.191 446 HA VAL 57 HA VAL 57 4.388 11.601 2.429 447 HB VAL 57 HB VAL 57 2.389 11.844 3.997 448 HG11 VAL 57 1HG1 VAL 57 2.878 10.064 5.595 449 HG12 VAL 57 2HG1 VAL 57 2.692 11.613 6.419 450 HG13 VAL 57 3HG1 VAL 57 4.304 10.940 6.161 451 HG21 VAL 57 3HG2 VAL 57 4.940 13.202 4.946 452 HG22 VAL 57 1HG2 VAL 57 3.294 13.750 5.284 453 HG23 VAL 57 2HG2 VAL 57 3.903 13.752 3.630 454 H MET 58 H MET 58 6.333 12.431 3.314 455 HA MET 58 HA MET 58 8.433 12.467 4.066 456 HB2 MET 58 2HB MET 58 7.514 11.921 6.290 457 HB3 MET 58 1HB MET 58 7.578 10.203 5.926 458 HG2 MET 58 2HG MET 58 9.423 10.846 7.382 459 HG3 MET 58 1HG MET 58 10.034 10.319 5.812 460 HE1 MET 58 3HE MET 58 8.424 13.831 6.843 461 HE2 MET 58 1HE MET 58 9.892 14.744 7.194 462 HE3 MET 58 2HE MET 58 9.433 13.386 8.221 463 H ASP 59 H ASP 59 7.784 8.989 4.241 464 HA ASP 59 HA ASP 59 9.172 8.438 1.745 465 HB2 ASP 59 2HB ASP 59 10.592 6.681 2.730 466 HB3 ASP 59 1HB ASP 59 10.947 8.241 3.456 467 H PHE 60 H PHE 60 6.978 7.499 4.308 468 HA PHE 60 HA PHE 60 6.895 4.719 3.477 469 HB2 PHE 60 2HB PHE 60 5.666 4.323 5.557 470 HB3 PHE 60 1HB PHE 60 7.163 5.193 5.843 471 HD1 PHE 60 HD2 PHE 60 7.124 7.562 6.592 472 HD2 PHE 60 HD1 PHE 60 3.471 5.406 6.025 473 HE1 PHE 60 HE2 PHE 60 5.904 9.267 7.859 474 HE2 PHE 60 HE1 PHE 60 2.265 7.130 7.300 475 HZ PHE 60 HZ PHE 60 3.477 9.072 8.200 476 H ILE 61 H ILE 61 5.158 3.552 3.010 477 HA ILE 61 HA ILE 61 2.741 4.883 1.979 478 HB ILE 61 HB ILE 61 3.788 2.022 1.626 479 HG12 ILE 61 2HG1 ILE 61 3.852 4.361 -0.348 480 HG13 ILE 61 1HG1 ILE 61 5.241 3.749 0.541 481 HG21 ILE 61 1HG2 ILE 61 1.507 3.400 0.160 482 HG22 ILE 61 2HG2 ILE 61 1.333 2.146 1.389 483 HG23 ILE 61 3HG2 ILE 61 2.107 1.769 -0.149 484 HD11 ILE 61 3HD1 ILE 61 5.038 1.605 -0.668 485 HD12 ILE 61 1HD1 ILE 61 5.277 2.980 -1.747 486 HD13 ILE 61 2HD1 ILE 61 3.675 2.268 -1.574 487 H SER 62 H SER 62 1.490 5.219 3.810 488 HA SER 62 HA SER 62 1.254 3.233 5.923 489 HB2 SER 62 2HB SER 62 1.387 5.697 6.386 490 HB3 SER 62 1HB SER 62 -0.173 5.911 5.611 491 HG SER 62 HG SER 62 0.017 4.065 7.694 492 H VAL 63 H VAL 63 0.264 1.474 4.886 493 HA VAL 63 HA VAL 63 -2.229 1.816 3.402 494 HB VAL 63 HB VAL 63 -0.867 -0.792 4.224 495 HG11 VAL 63 1HG1 VAL 63 -2.197 -1.811 2.382 496 HG12 VAL 63 2HG1 VAL 63 -2.989 -0.259 2.099 497 HG13 VAL 63 3HG1 VAL 63 -3.239 -1.110 3.623 498 HG21 VAL 63 3HG2 VAL 63 -0.607 0.744 1.608 499 HG22 VAL 63 1HG2 VAL 63 0.090 -0.845 1.943 500 HG23 VAL 63 2HG2 VAL 63 0.651 0.572 2.833 501 H ASP 64 H ASP 64 -3.924 2.358 4.648 502 HA ASP 64 HA ASP 64 -4.420 1.111 7.265 503 HB2 ASP 64 2HB ASP 64 -4.586 3.572 7.066 504 HB3 ASP 64 1HB ASP 64 -5.822 3.402 5.850 505 H LYS 65 H LYS 65 -5.175 -0.882 6.851 506 HA LYS 65 HA LYS 65 -7.103 -1.441 4.751 507 HB2 LYS 65 2HB LYS 65 -6.728 -3.794 5.324 508 HB3 LYS 65 1HB LYS 65 -5.190 -2.964 5.121 509 HG2 LYS 65 2HG LYS 65 -4.738 -2.993 7.454 510 HG3 LYS 65 1HG LYS 65 -6.407 -3.382 7.860 511 HD2 LYS 65 2HD LYS 65 -6.088 -5.607 6.739 512 HD3 LYS 65 1HD LYS 65 -4.382 -5.213 6.535 513 HE2 LYS 65 2HE LYS 65 -4.813 -6.644 8.527 514 HE3 LYS 65 1HE LYS 65 -4.071 -5.103 8.942 515 HZ1 LYS 65 3HZ LYS 65 -5.864 -5.737 10.453 516 HZ2 LYS 65 1HZ LYS 65 -6.964 -5.709 9.175 517 HZ3 LYS 65 2HZ LYS 65 -6.207 -4.280 9.659 518 H GLU 66 H GLU 66 -8.775 -3.311 5.527 519 HA GLU 66 HA GLU 66 -10.701 -2.387 7.333 520 HB2 GLU 66 2HB GLU 66 -10.117 -5.042 6.033 521 HB3 GLU 66 1HB GLU 66 -11.235 -5.056 7.383 522 HG2 GLU 66 2HG GLU 66 -12.472 -4.959 5.320 523 HG3 GLU 66 1HG GLU 66 -12.708 -3.460 6.208 524 H ASN 67 H ASN 67 -11.433 -3.666 9.306 525 HA ASN 67 HA ASN 67 -9.760 -3.103 11.436 526 HB2 ASN 67 2HB ASN 67 -12.106 -5.042 11.328 527 HB3 ASN 67 1HB ASN 67 -11.329 -4.538 12.823 528 HD21 ASN 67 1HD2 ASN 67 -13.278 -3.651 13.599 529 HD22 ASN 67 2HD2 ASN 67 -13.933 -2.175 12.978 530 H ASP 68 H ASP 68 -10.659 -6.498 10.576 531 HA ASP 68 HA ASP 68 -8.148 -7.399 11.823 532 HB2 ASP 68 2HB ASP 68 -9.130 -9.671 11.771 533 HB3 ASP 68 1HB ASP 68 -10.183 -8.526 12.587 534 H ALA 69 H ALA 69 -9.963 -8.029 8.781 535 HA ALA 69 HA ALA 69 -9.363 -8.983 6.801 536 HB1 ALA 69 3HB ALA 69 -7.847 -7.506 5.526 537 HB2 ALA 69 1HB ALA 69 -7.323 -6.762 7.037 538 HB3 ALA 69 2HB ALA 69 -8.992 -6.588 6.505 539 H ASN 70 H ASN 70 -6.822 -9.116 5.451 540 HA ASN 70 HA ASN 70 -4.997 -10.642 7.177 541 HB2 ASN 70 2HB ASN 70 -6.230 -11.718 4.602 542 HB3 ASN 70 1HB ASN 70 -4.672 -12.296 5.182 543 HD21 ASN 70 1HD2 ASN 70 -8.122 -12.221 5.834 544 HD22 ASN 70 2HD2 ASN 70 -8.124 -13.512 6.981 545 H TRP 71 H TRP 71 -3.294 -9.278 7.112 546 HA TRP 71 HA TRP 71 -2.258 -7.898 4.867 547 HB2 TRP 71 2HB TRP 71 -0.940 -8.931 7.403 548 HB3 TRP 71 1HB TRP 71 0.004 -8.135 6.157 549 HD1 TRP 71 HD1 TRP 71 -1.312 -7.258 9.349 550 HE1 TRP 71 HE1 TRP 71 -1.796 -4.736 9.544 551 HE3 TRP 71 HE3 TRP 71 -1.317 -6.009 4.371 552 HZ2 TRP 71 HZ2 TRP 71 -2.141 -2.525 7.842 553 HZ3 TRP 71 HZ3 TRP 71 -1.732 -3.666 3.751 554 HH2 TRP 71 HH2 TRP 71 -2.135 -1.964 5.452 555 H GLU 72 H GLU 72 -1.986 -11.206 5.947 556 HA GLU 72 HA GLU 72 0.252 -12.058 4.491 557 HB2 GLU 72 2HB GLU 72 -0.988 -13.209 6.455 558 HB3 GLU 72 1HB GLU 72 -2.084 -13.843 5.240 559 HG2 GLU 72 2HG GLU 72 -0.403 -15.506 5.791 560 HG3 GLU 72 1HG GLU 72 -0.196 -14.976 4.120 561 H THR 73 H THR 73 -3.007 -11.457 3.489 562 HA THR 73 HA THR 73 -2.759 -12.873 0.940 563 HB THR 73 HB THR 73 -5.068 -11.196 2.015 564 HG1 THR 73 HG1 THR 73 -4.191 -13.757 2.561 565 HG21 THR 73 3HG2 THR 73 -6.449 -12.402 0.363 566 HG22 THR 73 1HG2 THR 73 -5.019 -13.271 -0.214 567 HG23 THR 73 2HG2 THR 73 -5.152 -11.530 -0.453 568 H VAL 74 H VAL 74 -2.988 -9.558 2.189 569 HA VAL 74 HA VAL 74 -3.241 -8.270 -0.367 570 HB VAL 74 HB VAL 74 -2.645 -7.136 2.409 571 HG11 VAL 74 1HG1 VAL 74 -1.851 -5.541 0.717 572 HG12 VAL 74 2HG1 VAL 74 -3.303 -4.916 1.498 573 HG13 VAL 74 3HG1 VAL 74 -3.406 -5.620 -0.118 574 HG21 VAL 74 3HG2 VAL 74 -5.039 -6.459 2.406 575 HG22 VAL 74 1HG2 VAL 74 -4.862 -8.210 2.263 576 HG23 VAL 74 2HG2 VAL 74 -5.260 -7.243 0.841 577 H LEU 75 H LEU 75 -0.554 -8.454 1.994 578 HA LEU 75 HA LEU 75 1.195 -6.708 0.734 579 HB2 LEU 75 2HB LEU 75 1.837 -8.992 2.609 580 HB3 LEU 75 1HB LEU 75 3.029 -7.815 2.076 581 HG LEU 75 HG LEU 75 0.538 -7.206 3.725 582 HD11 LEU 75 1HD1 LEU 75 2.085 -6.711 5.544 583 HD12 LEU 75 2HD1 LEU 75 3.458 -7.164 4.534 584 HD13 LEU 75 3HD1 LEU 75 2.268 -8.379 5.008 585 HD21 LEU 75 3HD2 LEU 75 1.080 -5.317 2.246 586 HD22 LEU 75 1HD2 LEU 75 2.747 -5.322 2.829 587 HD23 LEU 75 2HD2 LEU 75 1.422 -4.918 3.928 588 HA PRO 76 HA PRO 76 3.168 -10.866 -1.570 589 HB2 PRO 76 2HB PRO 76 0.280 -11.523 -2.258 590 HB3 PRO 76 1HB PRO 76 1.705 -12.590 -2.287 591 HG2 PRO 76 2HG PRO 76 0.026 -12.650 -0.231 592 HG3 PRO 76 1HG PRO 76 1.779 -12.790 0.021 593 HD2 PRO 76 2HD PRO 76 -0.022 -10.521 0.681 594 HD3 PRO 76 1HD PRO 76 1.564 -10.942 1.367 595 H LYS 77 H LYS 77 0.213 -9.054 -2.433 596 HA LYS 77 HA LYS 77 0.940 -8.710 -5.196 597 HB2 LYS 77 2HB LYS 77 -1.205 -7.340 -3.530 598 HB3 LYS 77 1HB LYS 77 -1.027 -7.184 -5.277 599 HG2 LYS 77 2HG LYS 77 -1.312 -9.776 -5.315 600 HG3 LYS 77 1HG LYS 77 -1.919 -9.589 -3.666 601 HD2 LYS 77 2HD LYS 77 -3.797 -9.599 -5.226 602 HD3 LYS 77 1HD LYS 77 -3.649 -7.994 -4.508 603 HE2 LYS 77 2HE LYS 77 -2.408 -7.243 -6.568 604 HE3 LYS 77 1HE LYS 77 -2.711 -8.825 -7.286 605 HZ1 LYS 77 3HZ LYS 77 -4.256 -7.045 -7.978 606 HZ2 LYS 77 1HZ LYS 77 -4.834 -6.964 -6.394 607 HZ3 LYS 77 2HZ LYS 77 -5.038 -8.380 -7.288 608 H VAL 78 H VAL 78 1.003 -6.665 -2.292 609 HA VAL 78 HA VAL 78 1.665 -4.193 -3.489 610 HB VAL 78 HB VAL 78 2.379 -5.154 -0.673 611 HG11 VAL 78 1HG1 VAL 78 2.402 -2.745 -0.063 612 HG12 VAL 78 2HG1 VAL 78 2.127 -2.317 -1.753 613 HG13 VAL 78 3HG1 VAL 78 3.627 -3.115 -1.281 614 HG21 VAL 78 3HG2 VAL 78 0.281 -4.065 0.054 615 HG22 VAL 78 1HG2 VAL 78 -0.048 -5.357 -1.102 616 HG23 VAL 78 2HG2 VAL 78 -0.108 -3.670 -1.622 617 H GLU 79 H GLU 79 3.744 -6.644 -1.970 618 HA GLU 79 HA GLU 79 6.269 -5.579 -2.446 619 HB2 GLU 79 2HB GLU 79 5.455 -8.515 -2.372 620 HB3 GLU 79 1HB GLU 79 7.103 -7.913 -2.188 621 HG2 GLU 79 2HG GLU 79 6.518 -6.826 -0.100 622 HG3 GLU 79 1HG GLU 79 4.823 -7.267 -0.297 623 H ALA 80 H ALA 80 4.262 -7.708 -4.448 624 HA ALA 80 HA ALA 80 6.033 -8.304 -6.530 625 HB1 ALA 80 3HB ALA 80 4.045 -8.968 -7.807 626 HB2 ALA 80 1HB ALA 80 3.011 -8.102 -6.661 627 HB3 ALA 80 2HB ALA 80 3.927 -9.512 -6.133 628 H VAL 81 H VAL 81 4.054 -5.438 -6.004 629 HA VAL 81 HA VAL 81 4.096 -4.317 -8.607 630 HB VAL 81 HB VAL 81 3.866 -3.053 -5.840 631 HG11 VAL 81 1HG1 VAL 81 2.985 -0.995 -6.961 632 HG12 VAL 81 2HG1 VAL 81 3.517 -1.652 -8.512 633 HG13 VAL 81 3HG1 VAL 81 4.703 -1.273 -7.266 634 HG21 VAL 81 3HG2 VAL 81 1.475 -2.842 -6.420 635 HG22 VAL 81 1HG2 VAL 81 2.005 -4.521 -6.482 636 HG23 VAL 81 2HG2 VAL 81 1.775 -3.611 -7.977 637 H PHE 82 H PHE 82 6.207 -3.769 -5.804 638 HA PHE 82 HA PHE 82 8.094 -2.120 -7.244 639 HB2 PHE 82 2HB PHE 82 8.544 -3.475 -4.561 640 HB3 PHE 82 1HB PHE 82 9.261 -1.976 -5.154 641 HD1 PHE 82 HD1 PHE 82 7.367 -0.151 -5.879 642 HD2 PHE 82 HD2 PHE 82 6.871 -3.229 -2.954 643 HE1 PHE 82 HE1 PHE 82 5.523 1.106 -4.864 644 HE2 PHE 82 HE2 PHE 82 5.032 -1.965 -1.944 645 HZ PHE 82 HZ PHE 82 4.352 0.184 -2.908 646 H GLU 83 H GLU 83 7.749 -5.524 -6.571 647 HA GLU 83 HA GLU 83 10.490 -6.189 -7.378 648 HB2 GLU 83 2HB GLU 83 9.524 -7.308 -5.344 649 HB3 GLU 83 1HB GLU 83 8.274 -8.030 -6.346 650 HG2 GLU 83 2HG GLU 83 9.962 -9.315 -7.579 651 HG3 GLU 83 1HG GLU 83 11.250 -8.530 -6.676 652 H LEU 84 H LEU 84 9.802 -5.211 -9.465 653 HA LEU 84 HA LEU 84 8.349 -6.914 -11.329 654 HB2 LEU 84 2HB LEU 84 9.980 -4.379 -11.740 655 HB3 LEU 84 1HB LEU 84 9.102 -5.199 -13.021 656 HG LEU 84 HG LEU 84 7.851 -3.874 -10.580 657 HD11 LEU 84 1HD1 LEU 84 6.939 -2.238 -12.174 658 HD12 LEU 84 2HD1 LEU 84 7.829 -3.011 -13.488 659 HD13 LEU 84 3HD1 LEU 84 8.703 -2.223 -12.173 660 HD21 LEU 84 3HD2 LEU 84 6.526 -5.811 -11.268 661 HD22 LEU 84 1HD2 LEU 84 6.511 -5.240 -12.940 662 HD23 LEU 84 2HD2 LEU 84 5.683 -4.321 -11.679 663 H GLU 85 H GLU 85 10.139 -8.502 -10.237 664 HA GLU 85 HA GLU 85 12.236 -9.489 -10.252 665 HB2 GLU 85 2HB GLU 85 12.196 -11.170 -12.174 666 HB3 GLU 85 1HB GLU 85 10.776 -11.123 -11.137 667 HG2 GLU 85 2HG GLU 85 9.600 -9.759 -12.843 668 HG3 GLU 85 1HG GLU 85 11.012 -9.868 -13.893 669 H HIS 86 H HIS 86 13.722 -7.804 -10.302 670 HA HIS 86 HA HIS 86 14.393 -6.244 -12.544 671 HB2 HIS 86 2HB HIS 86 15.990 -6.701 -9.981 672 HB3 HIS 86 1HB HIS 86 16.294 -5.412 -11.138 673 HD1 HIS 86 HD1 HIS 86 14.381 -6.205 -8.141 674 HD2 HIS 86 HD2 HIS 86 14.069 -3.470 -11.257 675 HE1 HIS 86 HE1 HIS 86 12.801 -4.432 -7.329 676 HE2 HIS 86 HE2 HIS 86 12.761 -2.705 -9.164 677 H HIS 87 H HIS 87 14.805 -7.706 -14.241 678 HA HIS 87 HA HIS 87 17.428 -9.078 -14.226 679 HB2 HIS 87 2HB HIS 87 15.574 -10.582 -14.764 680 HB3 HIS 87 1HB HIS 87 14.969 -9.474 -15.988 681 HD1 HIS 87 HD1 HIS 87 15.346 -10.614 -18.178 682 HD2 HIS 87 HD2 HIS 87 18.596 -11.045 -15.631 683 HE1 HIS 87 HE1 HIS 87 17.113 -11.785 -19.526 684 HE2 HIS 87 HE2 HIS 87 19.047 -12.103 -17.943 685 H HIS 88 H HIS 88 15.305 -6.943 -16.136 686 HA HIS 88 HA HIS 88 17.263 -6.099 -18.002 687 HB2 HIS 88 2HB HIS 88 15.752 -4.330 -18.612 688 HB3 HIS 88 1HB HIS 88 14.767 -5.737 -18.261 689 HD1 HIS 88 HD1 HIS 88 15.502 -2.282 -17.062 690 HD2 HIS 88 HD2 HIS 88 13.057 -5.467 -16.006 691 HE1 HIS 88 HE1 HIS 88 13.858 -1.347 -15.416 692 HE2 HIS 88 HE2 HIS 88 12.285 -3.255 -14.930 693 H HIS 89 H HIS 89 18.219 -3.881 -18.050 694 HA HIS 89 HA HIS 89 19.656 -3.355 -15.603 695 HB2 HIS 89 2HB HIS 89 19.713 -1.885 -18.276 696 HB3 HIS 89 1HB HIS 89 20.880 -1.688 -16.969 697 HD1 HIS 89 HD1 HIS 89 21.058 -3.029 -20.073 698 HD2 HIS 89 HD2 HIS 89 21.633 -4.777 -16.350 699 HE1 HIS 89 HE1 HIS 89 22.426 -5.093 -20.493 700 HE2 HIS 89 HE2 HIS 89 22.563 -6.247 -18.258 701 H HIS 90 H HIS 90 19.873 -0.435 -15.756 702 HA HIS 90 HA HIS 90 17.650 0.279 -14.132 703 HB2 HIS 90 2HB HIS 90 18.573 2.491 -13.998 704 HB3 HIS 90 1HB HIS 90 19.940 1.387 -14.019 705 HD1 HIS 90 HD1 HIS 90 18.227 4.029 -16.083 706 HD2 HIS 90 HD2 HIS 90 21.633 1.635 -16.269 707 HE1 HIS 90 HE1 HIS 90 19.585 4.929 -17.997 708 HE2 HIS 90 HE2 HIS 90 21.584 3.400 -18.160 709 H HIS 91 H HIS 91 15.689 1.226 -14.652 710 HA HIS 91 HA HIS 91 15.110 1.882 -17.448 711 HB2 HIS 91 2HB HIS 91 13.361 0.691 -16.182 712 HB3 HIS 91 1HB HIS 91 13.318 1.972 -14.971 713 HD1 HIS 91 HD1 HIS 91 11.418 3.544 -15.318 714 HD2 HIS 91 HD2 HIS 91 12.682 1.858 -18.905 715 HE1 HIS 91 HE1 HIS 91 9.929 4.520 -17.092 716 HE2 HIS 91 HE2 HIS 91 10.590 3.338 -19.218 Start of MODEL 8 1 H1 MET 1 1H MET 1 10.624 3.945 -6.612 2 H2 MET 1 2H MET 1 9.737 2.513 -6.747 3 H3 MET 1 3H MET 1 11.401 2.498 -7.015 4 HA MET 1 HA MET 1 11.854 3.008 -4.753 5 HB2 MET 1 2HB MET 1 8.835 2.914 -4.321 6 HB3 MET 1 1HB MET 1 10.055 3.186 -3.082 7 HG2 MET 1 2HG MET 1 9.123 5.309 -3.539 8 HG3 MET 1 1HG MET 1 10.677 5.310 -4.374 9 HE1 MET 1 3HE MET 1 7.187 3.633 -5.404 10 HE2 MET 1 1HE MET 1 6.559 4.905 -6.451 11 HE3 MET 1 2HE MET 1 6.773 5.209 -4.727 12 H LYS 2 H LYS 2 12.030 1.365 -3.179 13 HA LYS 2 HA LYS 2 10.893 -1.304 -3.806 14 HB2 LYS 2 2HB LYS 2 13.641 -0.465 -2.813 15 HB3 LYS 2 1HB LYS 2 13.022 -2.054 -2.388 16 HG2 LYS 2 2HG LYS 2 13.388 -1.048 -5.230 17 HG3 LYS 2 1HG LYS 2 14.525 -2.087 -4.359 18 HD2 LYS 2 2HD LYS 2 12.687 -3.794 -4.105 19 HD3 LYS 2 1HD LYS 2 11.648 -2.775 -5.105 20 HE2 LYS 2 2HE LYS 2 13.235 -3.024 -6.988 21 HE3 LYS 2 1HE LYS 2 14.266 -4.048 -5.981 22 HZ1 LYS 2 3HZ LYS 2 11.450 -4.650 -6.673 23 HZ2 LYS 2 1HZ LYS 2 12.512 -5.655 -5.828 24 HZ3 LYS 2 2HZ LYS 2 12.791 -5.305 -7.462 25 H ILE 3 H ILE 3 11.197 -2.692 -1.653 26 HA ILE 3 HA ILE 3 10.013 -1.221 0.626 27 HB ILE 3 HB ILE 3 10.278 -4.244 0.192 28 HG12 ILE 3 2HG1 ILE 3 7.771 -2.508 -0.072 29 HG13 ILE 3 1HG1 ILE 3 8.677 -3.180 -1.422 30 HG21 ILE 3 1HG2 ILE 3 8.752 -2.699 2.335 31 HG22 ILE 3 2HG2 ILE 3 10.248 -3.605 2.575 32 HG23 ILE 3 3HG2 ILE 3 8.769 -4.454 2.137 33 HD11 ILE 3 3HD1 ILE 3 7.188 -4.750 0.680 34 HD12 ILE 3 1HD1 ILE 3 8.126 -5.448 -0.645 35 HD13 ILE 3 2HD1 ILE 3 6.692 -4.480 -0.990 36 H ILE 4 H ILE 4 11.673 -0.414 1.859 37 HA ILE 4 HA ILE 4 14.133 -1.906 2.348 38 HB ILE 4 HB ILE 4 13.141 0.724 3.560 39 HG12 ILE 4 2HG1 ILE 4 13.579 0.886 1.127 40 HG13 ILE 4 1HG1 ILE 4 14.759 1.818 2.036 41 HG21 ILE 4 1HG2 ILE 4 15.479 1.061 4.357 42 HG22 ILE 4 2HG2 ILE 4 15.898 -0.560 3.801 43 HG23 ILE 4 3HG2 ILE 4 14.726 -0.350 5.103 44 HD11 ILE 4 3HD1 ILE 4 15.206 -0.877 0.756 45 HD12 ILE 4 1HD1 ILE 4 16.399 0.009 1.710 46 HD13 ILE 4 2HD1 ILE 4 15.806 0.681 0.193 47 H SER 5 H SER 5 11.240 -0.887 4.173 48 HA SER 5 HA SER 5 11.514 -3.182 5.980 49 HB2 SER 5 2HB SER 5 11.201 -0.338 7.052 50 HB3 SER 5 1HB SER 5 11.254 -1.815 8.013 51 HG SER 5 HG SER 5 13.426 -2.018 6.792 52 H ILE 6 H ILE 6 9.534 -4.163 6.032 53 HA ILE 6 HA ILE 6 7.053 -2.626 5.738 54 HB ILE 6 HB ILE 6 7.376 -5.599 6.431 55 HG12 ILE 6 2HG1 ILE 6 6.858 -4.323 3.703 56 HG13 ILE 6 1HG1 ILE 6 8.378 -5.045 4.212 57 HG21 ILE 6 1HG2 ILE 6 5.175 -4.691 7.079 58 HG22 ILE 6 2HG2 ILE 6 5.007 -5.809 5.727 59 HG23 ILE 6 3HG2 ILE 6 4.929 -4.068 5.444 60 HD11 ILE 6 3HD1 ILE 6 7.155 -6.510 2.738 61 HD12 ILE 6 1HD1 ILE 6 5.768 -6.502 3.825 62 HD13 ILE 6 2HD1 ILE 6 7.290 -7.232 4.340 63 H SER 7 H SER 7 7.661 -1.247 7.521 64 HA SER 7 HA SER 7 7.839 -2.274 10.207 65 HB2 SER 7 2HB SER 7 7.810 0.256 10.761 66 HB3 SER 7 1HB SER 7 9.151 -0.326 9.779 67 HG SER 7 HG SER 7 6.881 0.560 8.444 68 H GLU 8 H GLU 8 5.976 -3.379 10.575 69 HA GLU 8 HA GLU 8 3.323 -2.429 10.119 70 HB2 GLU 8 2HB GLU 8 2.648 -4.475 11.306 71 HB3 GLU 8 1HB GLU 8 3.927 -4.841 10.160 72 HG2 GLU 8 2HG GLU 8 5.576 -4.791 12.034 73 HG3 GLU 8 1HG GLU 8 4.249 -4.521 13.160 74 H THR 9 H THR 9 1.830 -2.780 12.201 75 HA THR 9 HA THR 9 2.775 -1.211 14.503 76 HB THR 9 HB THR 9 0.586 0.106 14.397 77 HG1 THR 9 HG1 THR 9 -0.725 -0.121 12.712 78 HG21 THR 9 3HG2 THR 9 1.303 1.720 12.674 79 HG22 THR 9 1HG2 THR 9 2.423 0.530 12.005 80 HG23 THR 9 2HG2 THR 9 2.685 1.178 13.626 81 HA PRO 10 HA PRO 10 0.380 -4.337 16.791 82 HB2 PRO 10 2HB PRO 10 -0.607 -2.749 18.889 83 HB3 PRO 10 1HB PRO 10 1.020 -3.458 18.851 84 HG2 PRO 10 2HG PRO 10 0.154 -0.680 18.116 85 HG3 PRO 10 1HG PRO 10 1.587 -1.210 19.030 86 HD2 PRO 10 2HD PRO 10 1.785 -0.500 16.448 87 HD3 PRO 10 1HD PRO 10 2.748 -1.850 17.087 88 H ASN 11 H ASN 11 -1.157 -1.158 16.334 89 HA ASN 11 HA ASN 11 -3.781 -2.227 15.768 90 HB2 ASN 11 2HB ASN 11 -4.275 0.136 15.042 91 HB3 ASN 11 1HB ASN 11 -3.703 0.009 16.694 92 HD21 ASN 11 1HD2 ASN 11 -3.656 2.153 14.503 93 HD22 ASN 11 2HD2 ASN 11 -2.034 2.748 14.547 94 H HIS 12 H HIS 12 -3.064 -3.812 14.248 95 HA HIS 12 HA HIS 12 -1.453 -3.126 11.949 96 HB2 HIS 12 2HB HIS 12 -1.619 -5.586 11.433 97 HB3 HIS 12 1HB HIS 12 -1.017 -5.232 13.047 98 HD1 HIS 12 HD1 HIS 12 -2.622 -5.743 15.047 99 HD2 HIS 12 HD2 HIS 12 -3.992 -7.089 11.360 100 HE1 HIS 12 HE1 HIS 12 -4.505 -7.317 15.565 101 HE2 HIS 12 HE2 HIS 12 -5.420 -7.976 13.321 102 H ASN 13 H ASN 13 -4.385 -2.149 12.179 103 HA ASN 13 HA ASN 13 -5.742 -2.831 9.839 104 HB2 ASN 13 2HB ASN 13 -6.687 -1.284 11.498 105 HB3 ASN 13 1HB ASN 13 -5.408 -0.119 11.204 106 HD21 ASN 13 1HD2 ASN 13 -8.394 -1.444 10.046 107 HD22 ASN 13 2HD2 ASN 13 -8.684 -0.271 8.814 108 H THR 14 H THR 14 -2.878 -0.850 10.405 109 HA THR 14 HA THR 14 -2.476 -0.469 7.494 110 HB THR 14 HB THR 14 -3.136 1.663 8.628 111 HG1 THR 14 HG1 THR 14 -1.927 2.400 7.077 112 HG21 THR 14 3HG2 THR 14 -1.586 2.797 10.174 113 HG22 THR 14 1HG2 THR 14 -0.533 1.380 10.183 114 HG23 THR 14 2HG2 THR 14 -2.155 1.279 10.873 115 H MET 15 H MET 15 -0.284 -0.365 6.799 116 HA MET 15 HA MET 15 1.883 -1.012 8.707 117 HB2 MET 15 2HB MET 15 1.566 -2.285 5.946 118 HB3 MET 15 1HB MET 15 3.014 -2.399 6.935 119 HG2 MET 15 2HG MET 15 1.694 -3.620 8.651 120 HG3 MET 15 1HG MET 15 0.311 -3.586 7.557 121 HE1 MET 15 3HE MET 15 2.027 -5.579 4.465 122 HE2 MET 15 1HE MET 15 2.373 -3.880 4.776 123 HE3 MET 15 2HE MET 15 0.719 -4.477 4.886 124 H LYS 16 H LYS 16 3.750 0.075 8.288 125 HA LYS 16 HA LYS 16 3.728 2.193 6.242 126 HB2 LYS 16 2HB LYS 16 5.619 1.663 8.569 127 HB3 LYS 16 1HB LYS 16 5.723 3.040 7.472 128 HG2 LYS 16 2HG LYS 16 3.624 3.928 8.298 129 HG3 LYS 16 1HG LYS 16 3.351 2.485 9.282 130 HD2 LYS 16 2HD LYS 16 4.211 4.471 10.575 131 HD3 LYS 16 1HD LYS 16 5.204 3.022 10.735 132 HE2 LYS 16 2HE LYS 16 6.841 3.921 9.152 133 HE3 LYS 16 1HE LYS 16 5.814 5.317 8.832 134 HZ1 LYS 16 3HZ LYS 16 7.095 4.661 11.423 135 HZ2 LYS 16 1HZ LYS 16 6.114 6.006 11.122 136 HZ3 LYS 16 2HZ LYS 16 7.602 5.849 10.335 137 H ILE 17 H ILE 17 4.591 1.618 4.329 138 HA ILE 17 HA ILE 17 6.812 -0.277 4.104 139 HB ILE 17 HB ILE 17 5.344 1.296 1.931 140 HG12 ILE 17 2HG1 ILE 17 4.987 -1.644 2.689 141 HG13 ILE 17 1HG1 ILE 17 3.916 -0.357 3.232 142 HG21 ILE 17 1HG2 ILE 17 7.284 -1.047 1.651 143 HG22 ILE 17 2HG2 ILE 17 7.601 0.629 1.196 144 HG23 ILE 17 3HG2 ILE 17 6.379 -0.299 0.330 145 HD11 ILE 17 3HD1 ILE 17 2.970 -1.554 1.365 146 HD12 ILE 17 1HD1 ILE 17 4.380 -1.186 0.374 147 HD13 ILE 17 2HD1 ILE 17 3.311 0.114 0.909 148 H THR 18 H THR 18 8.513 0.764 5.007 149 HA THR 18 HA THR 18 9.291 3.456 4.605 150 HB THR 18 HB THR 18 11.000 1.063 5.441 151 HG1 THR 18 HG1 THR 18 9.072 1.686 6.758 152 HG21 THR 18 3HG2 THR 18 11.513 4.040 5.860 153 HG22 THR 18 1HG2 THR 18 12.385 3.005 4.726 154 HG23 THR 18 2HG2 THR 18 12.515 2.718 6.460 155 H LEU 19 H LEU 19 10.072 4.330 2.787 156 HA LEU 19 HA LEU 19 11.057 2.679 0.581 157 HB2 LEU 19 2HB LEU 19 10.567 5.684 0.748 158 HB3 LEU 19 1HB LEU 19 10.931 4.780 -0.717 159 HG LEU 19 HG LEU 19 8.402 4.552 0.966 160 HD11 LEU 19 1HD1 LEU 19 8.804 5.622 -1.836 161 HD12 LEU 19 2HD1 LEU 19 8.450 6.567 -0.387 162 HD13 LEU 19 3HD1 LEU 19 7.254 5.435 -1.012 163 HD21 LEU 19 3HD2 LEU 19 7.569 2.969 -0.751 164 HD22 LEU 19 1HD2 LEU 19 8.962 2.331 0.118 165 HD23 LEU 19 2HD2 LEU 19 9.158 2.968 -1.515 166 H SER 20 H SER 20 12.823 4.783 -0.506 167 HA SER 20 HA SER 20 15.221 3.566 0.426 168 HB2 SER 20 2HB SER 20 14.857 5.886 -1.512 169 HB3 SER 20 1HB SER 20 16.301 4.885 -1.356 170 HG SER 20 HG SER 20 14.915 4.246 -3.088 171 H GLU 21 H GLU 21 13.656 5.877 2.077 172 HA GLU 21 HA GLU 21 14.101 7.281 3.751 173 HB2 GLU 21 2HB GLU 21 16.972 6.298 3.476 174 HB3 GLU 21 1HB GLU 21 16.375 7.298 4.797 175 HG2 GLU 21 2HG GLU 21 14.846 5.473 5.480 176 HG3 GLU 21 1HG GLU 21 15.472 4.470 4.167 177 H SER 22 H SER 22 13.789 9.345 3.191 178 HA SER 22 HA SER 22 15.882 10.879 1.816 179 HB2 SER 22 2HB SER 22 12.980 10.748 0.865 180 HB3 SER 22 1HB SER 22 14.232 11.800 0.200 181 HG SER 22 HG SER 22 15.356 9.561 -0.008 182 H ARG 23 H ARG 23 15.210 13.279 1.727 183 HA ARG 23 HA ARG 23 14.668 14.363 4.245 184 HB2 ARG 23 2HB ARG 23 14.666 15.519 1.451 185 HB3 ARG 23 1HB ARG 23 14.000 16.492 2.748 186 HG2 ARG 23 2HG ARG 23 16.305 17.121 2.352 187 HG3 ARG 23 1HG ARG 23 16.148 16.402 3.954 188 HD2 ARG 23 2HD ARG 23 17.118 14.304 3.134 189 HD3 ARG 23 1HD ARG 23 17.195 14.963 1.493 190 HE ARG 23 HE ARG 23 18.634 16.770 2.855 191 HH11 ARG 23 1HH1 ARG 23 18.884 13.264 2.859 192 HH12 ARG 23 2HH1 ARG 23 20.584 13.277 3.202 193 HH21 ARG 23 1HH2 ARG 23 20.866 16.737 3.227 194 HH22 ARG 23 2HH2 ARG 23 21.693 15.224 3.404 195 H GLU 24 H GLU 24 12.842 14.997 5.286 196 HA GLU 24 HA GLU 24 10.566 13.437 4.990 197 HB2 GLU 24 2HB GLU 24 10.929 16.010 6.572 198 HB3 GLU 24 1HB GLU 24 9.575 14.899 6.772 199 HG2 GLU 24 2HG GLU 24 11.040 13.143 7.562 200 HG3 GLU 24 1HG GLU 24 12.472 14.108 7.195 201 H GLY 25 H GLY 25 9.700 13.590 2.982 202 HA2 GLY 25 2HA GLY 25 7.582 15.511 2.624 203 HA3 GLY 25 1HA GLY 25 8.860 15.641 1.413 204 H MET 26 H MET 26 9.491 13.627 0.297 205 HA MET 26 HA MET 26 9.058 11.918 -1.126 206 HB2 MET 26 2HB MET 26 9.323 10.760 1.080 207 HB3 MET 26 1HB MET 26 7.581 10.794 1.293 208 HG2 MET 26 2HG MET 26 8.300 8.584 0.610 209 HG3 MET 26 1HG MET 26 7.333 9.305 -0.671 210 HE1 MET 26 3HE MET 26 11.183 9.678 0.353 211 HE2 MET 26 1HE MET 26 11.896 8.597 -0.847 212 HE3 MET 26 2HE MET 26 10.832 7.947 0.400 213 H THR 27 H THR 27 7.075 14.113 -1.107 214 HA THR 27 HA THR 27 5.092 14.819 -1.861 215 HB THR 27 HB THR 27 4.335 12.082 -2.918 216 HG1 THR 27 HG1 THR 27 6.530 12.536 -3.544 217 HG21 THR 27 3HG2 THR 27 3.295 13.369 -4.750 218 HG22 THR 27 1HG2 THR 27 3.875 14.875 -4.030 219 HG23 THR 27 2HG2 THR 27 2.672 13.896 -3.188 220 H SER 28 H SER 28 3.126 15.105 -0.954 221 HA SER 28 HA SER 28 2.351 13.369 1.315 222 HB2 SER 28 2HB SER 28 1.112 15.420 2.133 223 HB3 SER 28 1HB SER 28 2.856 15.653 2.015 224 HG SER 28 HG SER 28 0.883 16.526 0.165 225 H ASP 29 H ASP 29 0.643 12.100 0.949 226 HA ASP 29 HA ASP 29 -1.451 12.783 -0.997 227 HB2 ASP 29 2HB ASP 29 0.018 10.096 -0.997 228 HB3 ASP 29 1HB ASP 29 -1.283 10.579 -2.081 229 H THR 30 H THR 30 -3.330 11.536 -0.773 230 HA THR 30 HA THR 30 -3.624 9.523 1.286 231 HB THR 30 HB THR 30 -4.156 11.399 2.678 232 HG1 THR 30 HG1 THR 30 -6.684 11.134 2.616 233 HG21 THR 30 3HG2 THR 30 -4.444 13.165 0.982 234 HG22 THR 30 1HG2 THR 30 -5.795 13.163 2.120 235 HG23 THR 30 2HG2 THR 30 -5.998 12.475 0.508 236 H TYR 31 H TYR 31 -4.080 8.059 -0.270 237 HA TYR 31 HA TYR 31 -5.938 8.640 -2.456 238 HB2 TYR 31 2HB TYR 31 -4.029 6.312 -2.000 239 HB3 TYR 31 1HB TYR 31 -5.062 6.488 -3.414 240 HD1 TYR 31 HD1 TYR 31 -4.703 9.419 -4.013 241 HD2 TYR 31 HD2 TYR 31 -1.834 6.433 -2.921 242 HE1 TYR 31 HE1 TYR 31 -2.961 10.645 -5.233 243 HE2 TYR 31 HE2 TYR 31 -0.092 7.670 -4.136 244 HH TYR 31 HH TYR 31 -0.466 10.847 -5.154 245 H THR 32 H THR 32 -7.947 8.502 -1.357 246 HA THR 32 HA THR 32 -8.740 5.934 -0.146 247 HB THR 32 HB THR 32 -10.905 7.066 0.360 248 HG1 THR 32 HG1 THR 32 -10.280 9.609 -0.222 249 HG21 THR 32 3HG2 THR 32 -10.084 8.773 1.955 250 HG22 THR 32 1HG2 THR 32 -8.509 8.771 1.159 251 HG23 THR 32 2HG2 THR 32 -9.072 7.330 2.008 252 H LYS 33 H LYS 33 -8.928 7.696 -3.074 253 HA LYS 33 HA LYS 33 -10.837 5.834 -4.334 254 HB2 LYS 33 2HB LYS 33 -11.210 8.413 -4.284 255 HB3 LYS 33 1HB LYS 33 -9.872 8.525 -5.416 256 HG2 LYS 33 2HG LYS 33 -11.148 7.182 -7.055 257 HG3 LYS 33 1HG LYS 33 -12.477 7.036 -5.904 258 HD2 LYS 33 2HD LYS 33 -11.464 9.658 -7.078 259 HD3 LYS 33 1HD LYS 33 -12.876 8.769 -7.655 260 HE2 LYS 33 2HE LYS 33 -12.539 10.011 -4.902 261 HE3 LYS 33 1HE LYS 33 -13.574 10.606 -6.201 262 HZ1 LYS 33 3HZ LYS 33 -14.875 9.396 -4.607 263 HZ2 LYS 33 1HZ LYS 33 -13.881 8.035 -4.740 264 HZ3 LYS 33 2HZ LYS 33 -14.836 8.515 -6.049 265 H VAL 34 H VAL 34 -9.876 6.306 -7.018 266 HA VAL 34 HA VAL 34 -7.103 5.427 -7.209 267 HB VAL 34 HB VAL 34 -9.393 3.742 -8.404 268 HG11 VAL 34 1HG1 VAL 34 -7.374 3.731 -9.797 269 HG12 VAL 34 2HG1 VAL 34 -7.628 2.143 -9.076 270 HG13 VAL 34 3HG1 VAL 34 -6.396 3.226 -8.420 271 HG21 VAL 34 3HG2 VAL 34 -7.581 2.963 -6.087 272 HG22 VAL 34 1HG2 VAL 34 -8.740 1.897 -6.889 273 HG23 VAL 34 2HG2 VAL 34 -9.308 3.302 -5.988 274 H ASP 35 H ASP 35 -6.865 7.434 -8.229 275 HA ASP 35 HA ASP 35 -7.670 7.806 -10.942 276 HB2 ASP 35 2HB ASP 35 -9.806 8.338 -9.465 277 HB3 ASP 35 1HB ASP 35 -8.949 9.806 -9.013 278 H ASP 36 H ASP 36 -7.565 10.911 -10.193 279 HA ASP 36 HA ASP 36 -6.112 12.582 -10.155 280 HB2 ASP 36 2HB ASP 36 -5.636 11.907 -7.863 281 HB3 ASP 36 1HB ASP 36 -4.521 10.660 -8.401 282 H SER 37 H SER 37 -3.401 10.353 -10.067 283 HA SER 37 HA SER 37 -3.074 9.820 -12.821 284 HB2 SER 37 2HB SER 37 -0.987 11.244 -13.172 285 HB3 SER 37 1HB SER 37 -2.480 12.176 -13.069 286 HG SER 37 HG SER 37 -1.895 12.368 -10.736 287 H GLN 38 H GLN 38 -2.926 8.714 -10.020 288 HA GLN 38 HA GLN 38 -0.273 8.140 -9.249 289 HB2 GLN 38 2HB GLN 38 -1.327 6.516 -7.683 290 HB3 GLN 38 1HB GLN 38 -2.149 8.074 -7.652 291 HG2 GLN 38 2HG GLN 38 -3.944 7.197 -9.056 292 HG3 GLN 38 1HG GLN 38 -3.107 5.659 -9.201 293 HE21 GLN 38 1HE2 GLN 38 -4.808 4.486 -8.366 294 HE22 GLN 38 2HE2 GLN 38 -5.307 4.578 -6.718 295 HA PRO 39 HA PRO 39 1.071 4.914 -12.101 296 HB2 PRO 39 2HB PRO 39 2.009 3.491 -9.593 297 HB3 PRO 39 1HB PRO 39 2.901 3.849 -11.090 298 HG2 PRO 39 2HG PRO 39 3.326 5.290 -8.899 299 HG3 PRO 39 1HG PRO 39 3.292 6.059 -10.503 300 HD2 PRO 39 2HD PRO 39 1.206 6.130 -8.339 301 HD3 PRO 39 1HD PRO 39 1.663 7.377 -9.519 302 H ALA 40 H ALA 40 0.254 3.047 -12.953 303 HA ALA 40 HA ALA 40 -2.236 2.037 -12.155 304 HB1 ALA 40 3HB ALA 40 -1.941 0.367 -13.937 305 HB2 ALA 40 1HB ALA 40 -0.221 0.761 -14.031 306 HB3 ALA 40 2HB ALA 40 -1.427 1.966 -14.479 307 H PHE 41 H PHE 41 1.011 0.903 -11.466 308 HA PHE 41 HA PHE 41 0.391 -1.612 -10.323 309 HB2 PHE 41 2HB PHE 41 2.746 0.218 -9.683 310 HB3 PHE 41 1HB PHE 41 2.662 -1.516 -9.384 311 HD1 PHE 41 HD1 PHE 41 2.332 -3.062 -11.477 312 HD2 PHE 41 HD2 PHE 41 3.661 0.998 -11.729 313 HE1 PHE 41 HE1 PHE 41 3.272 -3.499 -13.709 314 HE2 PHE 41 HE2 PHE 41 4.598 0.550 -13.954 315 HZ PHE 41 HZ PHE 41 4.407 -1.695 -14.949 316 H ILE 42 H ILE 42 0.531 1.663 -8.957 317 HA ILE 42 HA ILE 42 -0.035 0.917 -6.227 318 HB ILE 42 HB ILE 42 -0.339 3.628 -7.618 319 HG12 ILE 42 2HG1 ILE 42 1.999 2.833 -7.728 320 HG13 ILE 42 1HG1 ILE 42 1.878 4.197 -6.627 321 HG21 ILE 42 1HG2 ILE 42 -0.262 3.022 -4.633 322 HG22 ILE 42 2HG2 ILE 42 -1.661 3.580 -5.549 323 HG23 ILE 42 3HG2 ILE 42 -0.265 4.636 -5.349 324 HD11 ILE 42 3HD1 ILE 42 3.379 2.521 -5.761 325 HD12 ILE 42 1HD1 ILE 42 2.117 1.291 -5.854 326 HD13 ILE 42 2HD1 ILE 42 1.958 2.638 -4.725 327 H ASN 43 H ASN 43 -1.949 1.522 -9.129 328 HA ASN 43 HA ASN 43 -4.499 2.005 -7.943 329 HB2 ASN 43 2HB ASN 43 -3.730 0.811 -10.644 330 HB3 ASN 43 1HB ASN 43 -5.393 1.052 -10.160 331 HD21 ASN 43 1HD2 ASN 43 -2.823 3.380 -9.426 332 HD22 ASN 43 2HD2 ASN 43 -3.395 4.588 -10.518 333 H ASP 44 H ASP 44 -2.700 -0.892 -8.899 334 HA ASP 44 HA ASP 44 -4.614 -2.879 -8.461 335 HB2 ASP 44 2HB ASP 44 -2.465 -3.304 -9.611 336 HB3 ASP 44 1HB ASP 44 -1.589 -3.060 -8.103 337 H ILE 45 H ILE 45 -2.218 -1.496 -6.186 338 HA ILE 45 HA ILE 45 -2.671 -3.125 -3.956 339 HB ILE 45 HB ILE 45 -1.998 -0.141 -3.863 340 HG12 ILE 45 2HG1 ILE 45 -0.093 -2.528 -3.977 341 HG13 ILE 45 1HG1 ILE 45 -0.405 -1.413 -5.302 342 HG21 ILE 45 1HG2 ILE 45 -2.680 -0.992 -1.659 343 HG22 ILE 45 2HG2 ILE 45 -0.950 -0.658 -1.660 344 HG23 ILE 45 3HG2 ILE 45 -1.527 -2.321 -1.782 345 HD11 ILE 45 3HD1 ILE 45 0.912 -0.731 -2.672 346 HD12 ILE 45 1HD1 ILE 45 0.579 0.413 -3.977 347 HD13 ILE 45 2HD1 ILE 45 1.703 -0.921 -4.234 348 H LEU 46 H LEU 46 -4.185 -0.031 -4.818 349 HA LEU 46 HA LEU 46 -6.078 0.038 -2.710 350 HB2 LEU 46 2HB LEU 46 -5.887 1.438 -5.384 351 HB3 LEU 46 1HB LEU 46 -7.213 1.753 -4.268 352 HG LEU 46 HG LEU 46 -4.306 2.065 -3.422 353 HD11 LEU 46 1HD1 LEU 46 -4.479 4.458 -3.794 354 HD12 LEU 46 2HD1 LEU 46 -6.077 4.258 -4.515 355 HD13 LEU 46 3HD1 LEU 46 -4.655 3.573 -5.307 356 HD21 LEU 46 3HD2 LEU 46 -5.248 3.456 -1.628 357 HD22 LEU 46 1HD2 LEU 46 -5.943 1.836 -1.602 358 HD23 LEU 46 2HD2 LEU 46 -6.878 3.185 -2.251 359 H LYS 47 H LYS 47 -6.200 -1.470 -5.897 360 HA LYS 47 HA LYS 47 -8.999 -2.107 -5.921 361 HB2 LYS 47 2HB LYS 47 -6.667 -3.257 -7.489 362 HB3 LYS 47 1HB LYS 47 -8.337 -3.757 -7.747 363 HG2 LYS 47 2HG LYS 47 -8.947 -1.527 -8.476 364 HG3 LYS 47 1HG LYS 47 -7.333 -0.918 -8.092 365 HD2 LYS 47 2HD LYS 47 -6.381 -2.488 -9.803 366 HD3 LYS 47 1HD LYS 47 -8.026 -2.981 -10.223 367 HE2 LYS 47 2HE LYS 47 -6.906 -0.169 -10.482 368 HE3 LYS 47 1HE LYS 47 -7.131 -1.313 -11.807 369 HZ1 LYS 47 3HZ LYS 47 -9.495 -1.287 -11.390 370 HZ2 LYS 47 1HZ LYS 47 -8.934 0.279 -11.679 371 HZ3 LYS 47 2HZ LYS 47 -9.294 -0.210 -10.104 372 H VAL 48 H VAL 48 -6.267 -3.534 -4.298 373 HA VAL 48 HA VAL 48 -7.094 -6.229 -4.162 374 HB VAL 48 HB VAL 48 -5.521 -4.688 -2.041 375 HG11 VAL 48 1HG1 VAL 48 -4.692 -6.909 -1.299 376 HG12 VAL 48 2HG1 VAL 48 -5.773 -7.699 -2.448 377 HG13 VAL 48 3HG1 VAL 48 -6.440 -6.769 -1.103 378 HG21 VAL 48 3HG2 VAL 48 -4.361 -4.620 -4.200 379 HG22 VAL 48 1HG2 VAL 48 -4.493 -6.374 -4.363 380 HG23 VAL 48 2HG2 VAL 48 -3.496 -5.673 -3.086 381 H GLU 49 H GLU 49 -8.941 -6.988 -3.372 382 HA GLU 49 HA GLU 49 -10.800 -5.676 -1.750 383 HB2 GLU 49 2HB GLU 49 -10.364 -8.616 -2.383 384 HB3 GLU 49 1HB GLU 49 -11.618 -8.130 -1.253 385 HG2 GLU 49 2HG GLU 49 -12.528 -8.527 -3.495 386 HG3 GLU 49 1HG GLU 49 -12.762 -6.858 -2.983 387 H GLY 50 H GLY 50 -10.220 -4.851 0.119 388 HA2 GLY 50 2HA GLY 50 -9.833 -5.795 2.541 389 HA3 GLY 50 1HA GLY 50 -8.227 -6.081 1.861 390 H VAL 51 H VAL 51 -7.694 -3.981 0.326 391 HA VAL 51 HA VAL 51 -6.835 -2.047 2.210 392 HB VAL 51 HB VAL 51 -6.789 -1.903 -0.837 393 HG11 VAL 51 1HG1 VAL 51 -6.511 0.368 0.122 394 HG12 VAL 51 2HG1 VAL 51 -5.002 -0.196 -0.591 395 HG13 VAL 51 3HG1 VAL 51 -5.209 -0.214 1.164 396 HG21 VAL 51 3HG2 VAL 51 -4.438 -2.644 -0.608 397 HG22 VAL 51 1HG2 VAL 51 -5.557 -3.835 0.054 398 HG23 VAL 51 2HG2 VAL 51 -4.645 -2.784 1.140 399 H LYS 52 H LYS 52 -7.697 -0.205 2.890 400 HA LYS 52 HA LYS 52 -10.315 0.660 1.923 401 HB2 LYS 52 2HB LYS 52 -10.062 0.255 4.354 402 HB3 LYS 52 1HB LYS 52 -8.742 1.418 4.433 403 HG2 LYS 52 2HG LYS 52 -10.255 3.251 3.929 404 HG3 LYS 52 1HG LYS 52 -11.577 2.129 3.624 405 HD2 LYS 52 2HD LYS 52 -11.985 3.073 5.769 406 HD3 LYS 52 1HD LYS 52 -11.429 1.428 6.062 407 HE2 LYS 52 2HE LYS 52 -9.558 3.813 6.214 408 HE3 LYS 52 1HE LYS 52 -10.514 3.288 7.595 409 HZ1 LYS 52 3HZ LYS 52 -8.345 2.348 7.732 410 HZ2 LYS 52 1HZ LYS 52 -8.442 1.716 6.168 411 HZ3 LYS 52 2HZ LYS 52 -9.429 1.096 7.390 412 H SER 53 H SER 53 -7.032 1.917 2.639 413 HA SER 53 HA SER 53 -7.007 3.603 0.334 414 HB2 SER 53 2HB SER 53 -6.773 5.797 1.638 415 HB3 SER 53 1HB SER 53 -8.395 5.117 1.574 416 HG SER 53 HG SER 53 -7.109 4.152 3.708 417 H ILE 54 H ILE 54 -5.005 5.210 0.549 418 HA ILE 54 HA ILE 54 -2.762 3.955 2.027 419 HB ILE 54 HB ILE 54 -2.709 4.927 -0.880 420 HG12 ILE 54 2HG1 ILE 54 -2.121 2.155 0.277 421 HG13 ILE 54 1HG1 ILE 54 -3.580 2.607 -0.599 422 HG21 ILE 54 1HG2 ILE 54 -0.356 4.034 0.841 423 HG22 ILE 54 2HG2 ILE 54 -0.653 5.665 0.239 424 HG23 ILE 54 3HG2 ILE 54 -0.283 4.367 -0.893 425 HD11 ILE 54 3HD1 ILE 54 -0.778 2.479 -1.711 426 HD12 ILE 54 1HD1 ILE 54 -2.195 3.033 -2.610 427 HD13 ILE 54 2HD1 ILE 54 -2.108 1.370 -2.034 428 H PHE 55 H PHE 55 -2.314 5.510 3.533 429 HA PHE 55 HA PHE 55 -2.123 8.347 2.799 430 HB2 PHE 55 2HB PHE 55 -3.051 7.666 5.044 431 HB3 PHE 55 1HB PHE 55 -1.488 6.965 5.455 432 HD1 PHE 55 HD1 PHE 55 -2.874 10.224 4.170 433 HD2 PHE 55 HD2 PHE 55 -0.081 8.308 6.790 434 HE1 PHE 55 HE1 PHE 55 -2.165 12.413 5.024 435 HE2 PHE 55 HE2 PHE 55 0.621 10.507 7.636 436 HZ PHE 55 HZ PHE 55 -0.421 12.560 6.757 437 H HIS 56 H HIS 56 -0.215 9.255 2.179 438 HA HIS 56 HA HIS 56 2.327 7.736 2.437 439 HB2 HIS 56 2HB HIS 56 1.384 7.241 0.222 440 HB3 HIS 56 1HB HIS 56 1.119 8.949 -0.100 441 HD1 HIS 56 HD1 HIS 56 2.604 9.284 -2.067 442 HD2 HIS 56 HD2 HIS 56 4.579 7.361 1.034 443 HE1 HIS 56 HE1 HIS 56 4.976 9.039 -2.837 444 HE2 HIS 56 HE2 HIS 56 6.166 7.934 -0.916 445 H VAL 57 H VAL 57 3.909 9.048 3.276 446 HA VAL 57 HA VAL 57 4.263 11.785 2.517 447 HB VAL 57 HB VAL 57 2.235 11.938 4.075 448 HG11 VAL 57 1HG1 VAL 57 4.202 11.189 6.253 449 HG12 VAL 57 2HG1 VAL 57 2.842 10.211 5.696 450 HG13 VAL 57 3HG1 VAL 57 2.546 11.753 6.500 451 HG21 VAL 57 3HG2 VAL 57 4.699 13.480 4.969 452 HG22 VAL 57 1HG2 VAL 57 3.029 13.923 5.333 453 HG23 VAL 57 2HG2 VAL 57 3.601 13.938 3.665 454 H MET 58 H MET 58 6.053 12.771 3.596 455 HA MET 58 HA MET 58 8.110 13.023 4.248 456 HB2 MET 58 2HB MET 58 8.810 12.332 6.483 457 HB3 MET 58 1HB MET 58 7.183 12.981 6.469 458 HG2 MET 58 2HG MET 58 6.248 10.775 6.721 459 HG3 MET 58 1HG MET 58 7.845 10.038 6.586 460 HE1 MET 58 3HE MET 58 9.562 11.110 9.909 461 HE2 MET 58 1HE MET 58 9.676 11.952 8.365 462 HE3 MET 58 2HE MET 58 9.700 10.188 8.412 463 H ASP 59 H ASP 59 7.784 9.480 4.774 464 HA ASP 59 HA ASP 59 9.740 8.997 2.682 465 HB2 ASP 59 2HB ASP 59 11.228 7.637 4.033 466 HB3 ASP 59 1HB ASP 59 11.092 9.221 4.789 467 H PHE 60 H PHE 60 7.180 7.879 4.803 468 HA PHE 60 HA PHE 60 7.418 5.093 3.885 469 HB2 PHE 60 2HB PHE 60 5.930 4.536 5.772 470 HB3 PHE 60 1HB PHE 60 7.326 5.456 6.317 471 HD1 PHE 60 HD1 PHE 60 3.652 5.625 5.725 472 HD2 PHE 60 HD2 PHE 60 7.044 7.658 7.353 473 HE1 PHE 60 HE1 PHE 60 2.164 7.232 6.830 474 HE2 PHE 60 HE2 PHE 60 5.533 9.254 8.456 475 HZ PHE 60 HZ PHE 60 3.098 9.054 8.183 476 H ILE 61 H ILE 61 5.667 3.911 3.100 477 HA ILE 61 HA ILE 61 3.278 5.376 2.126 478 HB ILE 61 HB ILE 61 4.317 2.626 1.249 479 HG12 ILE 61 2HG1 ILE 61 4.517 5.305 -0.197 480 HG13 ILE 61 1HG1 ILE 61 5.856 4.362 0.444 481 HG21 ILE 61 1HG2 ILE 61 2.077 4.297 0.044 482 HG22 ILE 61 2HG2 ILE 61 1.864 2.854 1.036 483 HG23 ILE 61 3HG2 ILE 61 2.638 2.728 -0.542 484 HD11 ILE 61 3HD1 ILE 61 4.075 3.616 -1.877 485 HD12 ILE 61 1HD1 ILE 61 5.347 2.588 -1.208 486 HD13 ILE 61 2HD1 ILE 61 5.758 4.135 -1.945 487 H SER 62 H SER 62 2.067 5.318 4.030 488 HA SER 62 HA SER 62 1.711 2.870 5.554 489 HB2 SER 62 2HB SER 62 1.811 5.157 6.636 490 HB3 SER 62 1HB SER 62 0.263 5.537 5.890 491 HG SER 62 HG SER 62 0.332 3.173 7.322 492 H VAL 63 H VAL 63 0.794 1.496 4.015 493 HA VAL 63 HA VAL 63 -1.743 2.085 2.726 494 HB VAL 63 HB VAL 63 -0.297 -0.607 3.004 495 HG11 VAL 63 1HG1 VAL 63 -1.687 -1.326 1.071 496 HG12 VAL 63 2HG1 VAL 63 -2.521 0.231 1.086 497 HG13 VAL 63 3HG1 VAL 63 -2.691 -0.875 2.451 498 HG21 VAL 63 3HG2 VAL 63 0.565 -0.224 0.716 499 HG22 VAL 63 1HG2 VAL 63 1.131 1.028 1.823 500 HG23 VAL 63 2HG2 VAL 63 -0.177 1.378 0.692 501 H ASP 64 H ASP 64 -3.656 1.932 3.815 502 HA ASP 64 HA ASP 64 -3.855 0.117 6.151 503 HB2 ASP 64 2HB ASP 64 -5.623 1.560 7.038 504 HB3 ASP 64 1HB ASP 64 -4.163 2.497 6.758 505 H LYS 65 H LYS 65 -5.895 -0.940 6.466 506 HA LYS 65 HA LYS 65 -7.473 -1.391 4.017 507 HB2 LYS 65 2HB LYS 65 -7.348 -3.813 4.337 508 HB3 LYS 65 1HB LYS 65 -5.741 -3.132 4.117 509 HG2 LYS 65 2HG LYS 65 -5.388 -3.261 6.571 510 HG3 LYS 65 1HG LYS 65 -6.966 -4.029 6.742 511 HD2 LYS 65 2HD LYS 65 -6.127 -5.822 5.124 512 HD3 LYS 65 1HD LYS 65 -4.526 -5.092 5.287 513 HE2 LYS 65 2HE LYS 65 -6.162 -6.552 7.348 514 HE3 LYS 65 1HE LYS 65 -4.496 -6.836 6.852 515 HZ1 LYS 65 3HZ LYS 65 -3.930 -4.706 7.913 516 HZ2 LYS 65 1HZ LYS 65 -4.540 -5.847 8.999 517 HZ3 LYS 65 2HZ LYS 65 -5.518 -4.582 8.471 518 H GLU 66 H GLU 66 -9.135 -3.390 5.086 519 HA GLU 66 HA GLU 66 -11.077 -1.968 6.511 520 HB2 GLU 66 2HB GLU 66 -10.669 -4.968 6.212 521 HB3 GLU 66 1HB GLU 66 -12.124 -4.237 6.886 522 HG2 GLU 66 2HG GLU 66 -12.574 -3.111 4.755 523 HG3 GLU 66 1HG GLU 66 -11.094 -3.780 4.069 524 H ASN 67 H ASN 67 -12.017 -2.869 8.655 525 HA ASN 67 HA ASN 67 -10.701 -1.483 10.539 526 HB2 ASN 67 2HB ASN 67 -12.143 -2.598 12.285 527 HB3 ASN 67 1HB ASN 67 -13.007 -1.988 10.882 528 HD21 ASN 67 1HD2 ASN 67 -13.743 -4.074 12.851 529 HD22 ASN 67 2HD2 ASN 67 -14.099 -5.483 11.915 530 H ASP 68 H ASP 68 -10.371 -5.050 10.296 531 HA ASP 68 HA ASP 68 -7.776 -4.758 11.716 532 HB2 ASP 68 2HB ASP 68 -9.554 -5.720 13.253 533 HB3 ASP 68 1HB ASP 68 -9.724 -7.079 12.146 534 H ALA 69 H ALA 69 -9.716 -7.244 10.048 535 HA ALA 69 HA ALA 69 -9.399 -8.649 8.321 536 HB1 ALA 69 3HB ALA 69 -9.708 -6.486 7.181 537 HB2 ALA 69 1HB ALA 69 -8.674 -7.568 6.244 538 HB3 ALA 69 2HB ALA 69 -7.961 -6.243 7.163 539 H ASN 70 H ASN 70 -7.276 -8.979 6.401 540 HA ASN 70 HA ASN 70 -4.983 -9.910 8.060 541 HB2 ASN 70 2HB ASN 70 -6.420 -11.529 5.906 542 HB3 ASN 70 1HB ASN 70 -4.896 -12.004 6.658 543 HD21 ASN 70 1HD2 ASN 70 -4.922 -12.515 8.936 544 HD22 ASN 70 2HD2 ASN 70 -6.374 -13.065 9.690 545 H TRP 71 H TRP 71 -3.156 -8.998 7.365 546 HA TRP 71 HA TRP 71 -2.720 -7.999 4.702 547 HB2 TRP 71 2HB TRP 71 -0.841 -8.382 7.069 548 HB3 TRP 71 1HB TRP 71 -0.272 -7.790 5.513 549 HD1 TRP 71 HD1 TRP 71 -1.513 -6.494 8.737 550 HE1 TRP 71 HE1 TRP 71 -2.123 -4.000 8.536 551 HE3 TRP 71 HE3 TRP 71 -1.552 -6.029 3.627 552 HZ2 TRP 71 HZ2 TRP 71 -2.570 -2.112 6.527 553 HZ3 TRP 71 HZ3 TRP 71 -2.086 -3.826 2.659 554 HH2 TRP 71 HH2 TRP 71 -2.584 -1.912 4.083 555 H GLU 72 H GLU 72 -2.630 -11.119 6.013 556 HA GLU 72 HA GLU 72 -0.514 -12.379 4.633 557 HB2 GLU 72 2HB GLU 72 -3.193 -13.488 5.593 558 HB3 GLU 72 1HB GLU 72 -1.896 -14.495 4.960 559 HG2 GLU 72 2HG GLU 72 -1.907 -14.576 7.389 560 HG3 GLU 72 1HG GLU 72 -0.427 -13.815 6.813 561 H THR 73 H THR 73 -3.632 -11.307 3.645 562 HA THR 73 HA THR 73 -3.687 -12.748 1.111 563 HB THR 73 HB THR 73 -5.710 -10.694 2.122 564 HG1 THR 73 HG1 THR 73 -5.301 -13.397 2.907 565 HG21 THR 73 3HG2 THR 73 -6.024 -13.176 0.378 566 HG22 THR 73 1HG2 THR 73 -6.017 -11.512 -0.206 567 HG23 THR 73 2HG2 THR 73 -7.317 -12.070 0.845 568 H VAL 74 H VAL 74 -3.394 -9.439 2.364 569 HA VAL 74 HA VAL 74 -3.524 -8.173 -0.235 570 HB VAL 74 HB VAL 74 -2.874 -6.951 2.487 571 HG11 VAL 74 1HG1 VAL 74 -3.693 -5.608 -0.123 572 HG12 VAL 74 2HG1 VAL 74 -2.110 -5.515 0.652 573 HG13 VAL 74 3HG1 VAL 74 -3.513 -4.792 1.433 574 HG21 VAL 74 3HG2 VAL 74 -5.558 -7.083 1.041 575 HG22 VAL 74 1HG2 VAL 74 -5.242 -6.238 2.559 576 HG23 VAL 74 2HG2 VAL 74 -5.119 -7.996 2.486 577 H LEU 75 H LEU 75 -0.985 -8.587 2.228 578 HA LEU 75 HA LEU 75 0.962 -6.880 1.309 579 HB2 LEU 75 2HB LEU 75 0.854 -8.137 3.523 580 HB3 LEU 75 1HB LEU 75 1.570 -9.510 2.714 581 HG LEU 75 HG LEU 75 2.983 -6.810 2.927 582 HD11 LEU 75 1HD1 LEU 75 3.267 -9.165 4.826 583 HD12 LEU 75 2HD1 LEU 75 2.514 -7.612 5.198 584 HD13 LEU 75 3HD1 LEU 75 4.237 -7.688 4.841 585 HD21 LEU 75 3HD2 LEU 75 5.058 -8.114 2.548 586 HD22 LEU 75 1HD2 LEU 75 3.943 -8.262 1.192 587 HD23 LEU 75 2HD2 LEU 75 4.103 -9.584 2.347 588 HA PRO 76 HA PRO 76 3.040 -10.610 -1.347 589 HB2 PRO 76 2HB PRO 76 1.009 -12.135 -2.624 590 HB3 PRO 76 1HB PRO 76 2.020 -12.686 -1.273 591 HG2 PRO 76 2HG PRO 76 -0.740 -11.510 -1.212 592 HG3 PRO 76 1HG PRO 76 -0.074 -12.877 -0.287 593 HD2 PRO 76 2HD PRO 76 -0.356 -10.508 0.896 594 HD3 PRO 76 1HD PRO 76 1.120 -11.460 1.189 595 H LYS 77 H LYS 77 -0.152 -9.233 -2.172 596 HA LYS 77 HA LYS 77 0.418 -8.776 -4.949 597 HB2 LYS 77 2HB LYS 77 -1.754 -7.644 -3.136 598 HB3 LYS 77 1HB LYS 77 -1.672 -7.351 -4.874 599 HG2 LYS 77 2HG LYS 77 -1.837 -9.820 -5.254 600 HG3 LYS 77 1HG LYS 77 -2.055 -10.039 -3.512 601 HD2 LYS 77 2HD LYS 77 -4.147 -8.826 -3.542 602 HD3 LYS 77 1HD LYS 77 -3.885 -8.292 -5.204 603 HE2 LYS 77 2HE LYS 77 -4.104 -10.631 -5.986 604 HE3 LYS 77 1HE LYS 77 -4.370 -11.160 -4.324 605 HZ1 LYS 77 3HZ LYS 77 -6.361 -9.795 -4.249 606 HZ2 LYS 77 1HZ LYS 77 -6.442 -10.914 -5.515 607 HZ3 LYS 77 2HZ LYS 77 -6.103 -9.292 -5.845 608 H VAL 78 H VAL 78 0.551 -6.760 -2.038 609 HA VAL 78 HA VAL 78 1.194 -4.285 -3.292 610 HB VAL 78 HB VAL 78 1.941 -5.175 -0.460 611 HG11 VAL 78 1HG1 VAL 78 1.572 -2.380 -1.616 612 HG12 VAL 78 2HG1 VAL 78 3.109 -3.121 -1.163 613 HG13 VAL 78 3HG1 VAL 78 1.911 -2.756 0.077 614 HG21 VAL 78 3HG2 VAL 78 -0.185 -4.132 0.273 615 HG22 VAL 78 1HG2 VAL 78 -0.474 -5.485 -0.822 616 HG23 VAL 78 2HG2 VAL 78 -0.621 -3.829 -1.410 617 H GLU 79 H GLU 79 3.118 -6.918 -1.999 618 HA GLU 79 HA GLU 79 5.725 -5.950 -2.224 619 HB2 GLU 79 2HB GLU 79 5.158 -7.982 -0.988 620 HB3 GLU 79 1HB GLU 79 4.591 -8.767 -2.454 621 HG2 GLU 79 2HG GLU 79 6.938 -8.729 -3.329 622 HG3 GLU 79 1HG GLU 79 7.466 -8.053 -1.785 623 H ALA 80 H ALA 80 3.689 -7.718 -4.539 624 HA ALA 80 HA ALA 80 5.420 -8.140 -6.675 625 HB1 ALA 80 3HB ALA 80 3.397 -8.370 -8.056 626 HB2 ALA 80 1HB ALA 80 2.438 -7.561 -6.810 627 HB3 ALA 80 2HB ALA 80 3.166 -9.132 -6.483 628 H VAL 81 H VAL 81 3.756 -5.219 -5.734 629 HA VAL 81 HA VAL 81 3.910 -3.753 -8.165 630 HB VAL 81 HB VAL 81 3.554 -2.935 -5.252 631 HG11 VAL 81 1HG1 VAL 81 3.224 -1.130 -7.671 632 HG12 VAL 81 2HG1 VAL 81 4.436 -0.964 -6.407 633 HG13 VAL 81 3HG1 VAL 81 2.731 -0.733 -6.025 634 HG21 VAL 81 3HG2 VAL 81 1.759 -4.333 -6.167 635 HG22 VAL 81 1HG2 VAL 81 1.562 -3.235 -7.537 636 HG23 VAL 81 2HG2 VAL 81 1.171 -2.694 -5.906 637 H PHE 82 H PHE 82 5.909 -3.536 -5.181 638 HA PHE 82 HA PHE 82 7.924 -1.871 -6.343 639 HB2 PHE 82 2HB PHE 82 8.147 -3.633 -3.861 640 HB3 PHE 82 1HB PHE 82 9.172 -2.252 -4.264 641 HD1 PHE 82 HD1 PHE 82 8.232 0.070 -4.194 642 HD2 PHE 82 HD2 PHE 82 5.940 -3.317 -2.944 643 HE1 PHE 82 HE1 PHE 82 6.596 1.559 -3.125 644 HE2 PHE 82 HE2 PHE 82 4.322 -1.828 -1.877 645 HZ PHE 82 HZ PHE 82 4.640 0.589 -1.983 646 H GLU 83 H GLU 83 7.478 -5.349 -6.348 647 HA GLU 83 HA GLU 83 10.250 -5.964 -6.931 648 HB2 GLU 83 2HB GLU 83 7.747 -7.690 -6.958 649 HB3 GLU 83 1HB GLU 83 9.361 -8.308 -7.303 650 HG2 GLU 83 2HG GLU 83 8.536 -6.989 -4.695 651 HG3 GLU 83 1HG GLU 83 8.601 -8.729 -4.966 652 H LEU 84 H LEU 84 7.295 -6.627 -8.816 653 HA LEU 84 HA LEU 84 6.748 -6.658 -10.984 654 HB2 LEU 84 2HB LEU 84 9.279 -5.051 -11.496 655 HB3 LEU 84 1HB LEU 84 8.051 -5.392 -12.707 656 HG LEU 84 HG LEU 84 7.703 -3.688 -10.208 657 HD11 LEU 84 1HD1 LEU 84 7.655 -2.904 -13.135 658 HD12 LEU 84 2HD1 LEU 84 8.932 -2.540 -11.971 659 HD13 LEU 84 3HD1 LEU 84 7.331 -1.833 -11.767 660 HD21 LEU 84 3HD2 LEU 84 5.618 -4.428 -12.288 661 HD22 LEU 84 1HD2 LEU 84 5.409 -3.221 -11.015 662 HD23 LEU 84 2HD2 LEU 84 5.633 -4.915 -10.591 663 H GLU 85 H GLU 85 10.220 -7.303 -10.592 664 HA GLU 85 HA GLU 85 10.608 -9.315 -12.474 665 HB2 GLU 85 2HB GLU 85 12.226 -8.069 -10.674 666 HB3 GLU 85 1HB GLU 85 11.948 -9.541 -9.766 667 HG2 GLU 85 2HG GLU 85 13.267 -9.267 -12.485 668 HG3 GLU 85 1HG GLU 85 14.029 -9.711 -10.962 669 H HIS 86 H HIS 86 10.281 -11.573 -12.413 670 HA HIS 86 HA HIS 86 8.259 -12.636 -10.676 671 HB2 HIS 86 2HB HIS 86 8.807 -14.857 -11.796 672 HB3 HIS 86 1HB HIS 86 8.262 -13.572 -12.858 673 HD1 HIS 86 HD1 HIS 86 11.781 -14.688 -11.730 674 HD2 HIS 86 HD2 HIS 86 9.650 -13.743 -15.162 675 HE1 HIS 86 HE1 HIS 86 13.364 -15.073 -13.618 676 HE2 HIS 86 HE2 HIS 86 12.111 -14.314 -15.658 677 H HIS 87 H HIS 87 9.267 -12.092 -8.661 678 HA HIS 87 HA HIS 87 11.806 -13.075 -7.859 679 HB2 HIS 87 2HB HIS 87 11.191 -12.200 -5.594 680 HB3 HIS 87 1HB HIS 87 10.986 -11.022 -6.877 681 HD1 HIS 87 HD1 HIS 87 8.498 -10.427 -7.542 682 HD2 HIS 87 HD2 HIS 87 8.895 -12.762 -4.128 683 HE1 HIS 87 HE1 HIS 87 6.279 -10.306 -6.377 684 HE2 HIS 87 HE2 HIS 87 6.601 -11.588 -4.239 685 H HIS 88 H HIS 88 12.198 -15.127 -7.606 686 HA HIS 88 HA HIS 88 10.175 -16.990 -6.525 687 HB2 HIS 88 2HB HIS 88 12.743 -17.578 -8.077 688 HB3 HIS 88 1HB HIS 88 11.556 -18.773 -7.560 689 HD1 HIS 88 HD1 HIS 88 12.548 -17.511 -10.544 690 HD2 HIS 88 HD2 HIS 88 8.817 -17.534 -8.709 691 HE1 HIS 88 HE1 HIS 88 10.880 -17.266 -12.404 692 HE2 HIS 88 HE2 HIS 88 8.636 -17.508 -11.287 693 H HIS 89 H HIS 89 10.749 -18.416 -4.853 694 HA HIS 89 HA HIS 89 12.490 -17.431 -2.834 695 HB2 HIS 89 2HB HIS 89 10.434 -18.715 -2.324 696 HB3 HIS 89 1HB HIS 89 11.125 -20.148 -3.079 697 HD1 HIS 89 HD1 HIS 89 12.384 -21.682 -1.542 698 HD2 HIS 89 HD2 HIS 89 11.926 -17.885 0.090 699 HE1 HIS 89 HE1 HIS 89 13.299 -21.834 0.789 700 HE2 HIS 89 HE2 HIS 89 13.138 -19.496 1.705 701 H HIS 90 H HIS 90 12.920 -19.701 -5.446 702 HA HIS 90 HA HIS 90 15.735 -20.183 -4.618 703 HB2 HIS 90 2HB HIS 90 15.707 -22.320 -5.670 704 HB3 HIS 90 1HB HIS 90 14.179 -22.251 -4.810 705 HD1 HIS 90 HD1 HIS 90 15.521 -23.200 -7.972 706 HD2 HIS 90 HD2 HIS 90 11.985 -21.388 -6.760 707 HE1 HIS 90 HE1 HIS 90 13.928 -23.495 -9.884 708 HE2 HIS 90 HE2 HIS 90 11.879 -22.202 -9.205 709 H HIS 91 H HIS 91 17.333 -20.023 -6.304 710 HA HIS 91 HA HIS 91 16.562 -18.368 -8.611 711 HB2 HIS 91 2HB HIS 91 18.554 -17.687 -7.286 712 HB3 HIS 91 1HB HIS 91 19.331 -19.227 -7.642 713 HD1 HIS 91 HD1 HIS 91 20.761 -19.272 -9.688 714 HD2 HIS 91 HD2 HIS 91 18.110 -16.079 -9.732 715 HE1 HIS 91 HE1 HIS 91 21.366 -17.922 -11.720 716 HE2 HIS 91 HE2 HIS 91 19.889 -15.881 -11.592 Start of MODEL 9 1 H1 MET 1 1H MET 1 11.725 4.464 -4.336 2 H2 MET 1 2H MET 1 11.364 3.187 -5.379 3 H3 MET 1 3H MET 1 12.102 2.881 -3.896 4 HA MET 1 HA MET 1 10.176 3.676 -2.720 5 HB2 MET 1 2HB MET 1 8.960 3.908 -5.505 6 HB3 MET 1 1HB MET 1 8.056 4.047 -4.003 7 HG2 MET 1 2HG MET 1 9.370 6.046 -3.404 8 HG3 MET 1 1HG MET 1 10.250 5.915 -4.930 9 HE1 MET 1 3HE MET 1 7.906 9.059 -5.470 10 HE2 MET 1 1HE MET 1 9.572 8.482 -5.488 11 HE3 MET 1 2HE MET 1 8.684 8.576 -3.965 12 H LYS 2 H LYS 2 10.517 1.612 -1.929 13 HA LYS 2 HA LYS 2 8.566 -0.353 -2.700 14 HB2 LYS 2 2HB LYS 2 10.078 -2.227 -3.118 15 HB3 LYS 2 1HB LYS 2 10.373 -0.956 -4.295 16 HG2 LYS 2 2HG LYS 2 12.410 -0.286 -3.094 17 HG3 LYS 2 1HG LYS 2 12.095 -1.507 -1.855 18 HD2 LYS 2 2HD LYS 2 12.288 -3.290 -3.577 19 HD3 LYS 2 1HD LYS 2 12.634 -2.066 -4.800 20 HE2 LYS 2 2HE LYS 2 14.705 -1.455 -3.589 21 HE3 LYS 2 1HE LYS 2 14.346 -2.673 -2.365 22 HZ1 LYS 2 3HZ LYS 2 14.915 -3.170 -5.232 23 HZ2 LYS 2 1HZ LYS 2 14.457 -4.363 -4.126 24 HZ3 LYS 2 2HZ LYS 2 15.917 -3.536 -3.924 25 H ILE 3 H ILE 3 8.695 -2.298 -1.179 26 HA ILE 3 HA ILE 3 8.836 -1.408 1.518 27 HB ILE 3 HB ILE 3 8.676 -4.295 0.526 28 HG12 ILE 3 2HG1 ILE 3 6.415 -2.378 1.286 29 HG13 ILE 3 1HG1 ILE 3 6.791 -2.920 -0.342 30 HG21 ILE 3 1HG2 ILE 3 7.995 -3.142 3.266 31 HG22 ILE 3 2HG2 ILE 3 9.382 -4.164 2.886 32 HG23 ILE 3 3HG2 ILE 3 7.751 -4.820 2.768 33 HD11 ILE 3 3HD1 ILE 3 4.860 -4.080 0.520 34 HD12 ILE 3 1HD1 ILE 3 5.777 -4.636 1.921 35 HD13 ILE 3 2HD1 ILE 3 6.190 -5.219 0.307 36 H ILE 4 H ILE 4 10.832 -0.691 2.045 37 HA ILE 4 HA ILE 4 13.216 -2.389 1.792 38 HB ILE 4 HB ILE 4 12.819 0.493 2.722 39 HG12 ILE 4 2HG1 ILE 4 12.559 0.067 0.274 40 HG13 ILE 4 1HG1 ILE 4 13.923 1.114 0.631 41 HG21 ILE 4 1HG2 ILE 4 15.457 -1.014 2.505 42 HG22 ILE 4 2HG2 ILE 4 14.716 -0.403 3.985 43 HG23 ILE 4 3HG2 ILE 4 15.297 0.727 2.763 44 HD11 ILE 4 3HD1 ILE 4 14.076 -1.818 -0.068 45 HD12 ILE 4 1HD1 ILE 4 15.450 -0.773 0.296 46 HD13 ILE 4 2HD1 ILE 4 14.459 -0.461 -1.127 47 H SER 5 H SER 5 11.137 -0.907 4.246 48 HA SER 5 HA SER 5 11.894 -2.931 6.190 49 HB2 SER 5 2HB SER 5 13.544 -1.004 6.465 50 HB3 SER 5 1HB SER 5 12.179 0.023 6.901 51 HG SER 5 HG SER 5 13.429 -2.004 8.322 52 H ILE 6 H ILE 6 10.416 -2.927 8.037 53 HA ILE 6 HA ILE 6 7.758 -1.726 7.467 54 HB ILE 6 HB ILE 6 8.450 -4.430 8.732 55 HG12 ILE 6 2HG1 ILE 6 8.495 -4.402 6.244 56 HG13 ILE 6 1HG1 ILE 6 7.203 -5.422 6.857 57 HG21 ILE 6 1HG2 ILE 6 5.681 -3.165 8.518 58 HG22 ILE 6 2HG2 ILE 6 6.580 -3.480 10.005 59 HG23 ILE 6 3HG2 ILE 6 6.013 -4.825 9.018 60 HD11 ILE 6 3HD1 ILE 6 5.581 -3.649 6.363 61 HD12 ILE 6 1HD1 ILE 6 6.468 -4.158 4.928 62 HD13 ILE 6 2HD1 ILE 6 6.881 -2.642 5.726 63 H SER 7 H SER 7 6.920 -0.512 9.045 64 HA SER 7 HA SER 7 8.001 -0.627 11.802 65 HB2 SER 7 2HB SER 7 6.699 1.824 10.524 66 HB3 SER 7 1HB SER 7 7.584 1.744 12.048 67 HG SER 7 HG SER 7 8.553 1.675 9.405 68 H GLU 8 H GLU 8 6.520 -2.335 12.127 69 HA GLU 8 HA GLU 8 3.674 -1.982 11.925 70 HB2 GLU 8 2HB GLU 8 3.497 -4.238 12.717 71 HB3 GLU 8 1HB GLU 8 4.851 -4.190 11.621 72 HG2 GLU 8 2HG GLU 8 5.003 -4.284 14.641 73 HG3 GLU 8 1HG GLU 8 5.324 -5.619 13.543 74 H THR 9 H THR 9 2.500 -2.883 14.072 75 HA THR 9 HA THR 9 3.372 -1.718 16.556 76 HB THR 9 HB THR 9 2.703 0.393 15.645 77 HG1 THR 9 HG1 THR 9 1.014 0.992 16.975 78 HG21 THR 9 3HG2 THR 9 0.557 0.857 14.533 79 HG22 THR 9 1HG2 THR 9 0.119 -0.847 14.654 80 HG23 THR 9 2HG2 THR 9 1.479 -0.358 13.647 81 HA PRO 10 HA PRO 10 0.364 -4.800 18.094 82 HB2 PRO 10 2HB PRO 10 -0.483 -3.585 20.449 83 HB3 PRO 10 1HB PRO 10 1.052 -4.461 20.291 84 HG2 PRO 10 2HG PRO 10 0.552 -1.506 20.121 85 HG3 PRO 10 1HG PRO 10 1.835 -2.384 20.990 86 HD2 PRO 10 2HD PRO 10 2.351 -1.238 18.627 87 HD3 PRO 10 1HD PRO 10 3.050 -2.824 19.027 88 H ASN 11 H ASN 11 -0.458 -1.440 17.578 89 HA ASN 11 HA ASN 11 -3.321 -1.840 17.354 90 HB2 ASN 11 2HB ASN 11 -2.355 0.393 17.904 91 HB3 ASN 11 1HB ASN 11 -1.535 0.431 16.346 92 HD21 ASN 11 1HD2 ASN 11 -2.582 2.328 15.741 93 HD22 ASN 11 2HD2 ASN 11 -4.251 2.383 15.304 94 H HIS 12 H HIS 12 -4.462 -1.838 15.273 95 HA HIS 12 HA HIS 12 -2.841 -3.253 13.210 96 HB2 HIS 12 2HB HIS 12 -5.658 -3.892 14.192 97 HB3 HIS 12 1HB HIS 12 -4.825 -4.729 12.882 98 HD1 HIS 12 HD1 HIS 12 -5.739 -5.699 15.950 99 HD2 HIS 12 HD2 HIS 12 -1.928 -5.234 14.352 100 HE1 HIS 12 HE1 HIS 12 -4.230 -7.126 17.368 101 HE2 HIS 12 HE2 HIS 12 -1.932 -6.833 16.385 102 H ASN 13 H ASN 13 -4.635 -3.606 11.278 103 HA ASN 13 HA ASN 13 -5.649 -2.792 9.451 104 HB2 ASN 13 2HB ASN 13 -6.079 -0.201 10.996 105 HB3 ASN 13 1HB ASN 13 -6.703 -0.519 9.383 106 HD21 ASN 13 1HD2 ASN 13 -8.423 -1.973 9.132 107 HD22 ASN 13 2HD2 ASN 13 -9.413 -2.449 10.469 108 H THR 14 H THR 14 -3.765 -0.076 10.814 109 HA THR 14 HA THR 14 -2.473 0.229 8.176 110 HB THR 14 HB THR 14 -3.706 2.227 8.784 111 HG1 THR 14 HG1 THR 14 -1.766 2.566 7.703 112 HG21 THR 14 3HG2 THR 14 -3.729 2.027 11.254 113 HG22 THR 14 1HG2 THR 14 -3.136 3.614 10.754 114 HG23 THR 14 2HG2 THR 14 -2.001 2.383 11.308 115 H MET 15 H MET 15 -0.341 -0.044 7.926 116 HA MET 15 HA MET 15 1.446 0.285 10.270 117 HB2 MET 15 2HB MET 15 2.869 -1.557 9.650 118 HB3 MET 15 1HB MET 15 1.231 -2.182 9.756 119 HG2 MET 15 2HG MET 15 1.059 -2.391 7.391 120 HG3 MET 15 1HG MET 15 2.489 -1.402 7.121 121 HE1 MET 15 3HE MET 15 2.244 -4.240 9.883 122 HE2 MET 15 1HE MET 15 2.763 -5.648 8.958 123 HE3 MET 15 2HE MET 15 1.222 -4.871 8.591 124 H LYS 16 H LYS 16 3.513 1.042 9.793 125 HA LYS 16 HA LYS 16 3.578 2.909 7.535 126 HB2 LYS 16 2HB LYS 16 3.910 3.836 9.743 127 HB3 LYS 16 1HB LYS 16 5.138 2.641 10.139 128 HG2 LYS 16 2HG LYS 16 6.654 3.672 8.471 129 HG3 LYS 16 1HG LYS 16 5.415 4.879 8.115 130 HD2 LYS 16 2HD LYS 16 5.523 5.706 10.431 131 HD3 LYS 16 1HD LYS 16 6.711 4.465 10.839 132 HE2 LYS 16 2HE LYS 16 8.307 5.480 9.248 133 HE3 LYS 16 1HE LYS 16 7.115 6.712 8.833 134 HZ1 LYS 16 3HZ LYS 16 7.164 7.418 11.174 135 HZ2 LYS 16 1HZ LYS 16 8.654 7.593 10.397 136 HZ3 LYS 16 2HZ LYS 16 8.408 6.313 11.468 137 H ILE 17 H ILE 17 4.305 1.769 5.734 138 HA ILE 17 HA ILE 17 6.613 0.021 5.800 139 HB ILE 17 HB ILE 17 5.077 1.168 3.416 140 HG12 ILE 17 2HG1 ILE 17 4.968 -1.584 4.736 141 HG13 ILE 17 1HG1 ILE 17 3.725 -0.353 4.838 142 HG21 ILE 17 1HG2 ILE 17 6.252 -0.549 2.047 143 HG22 ILE 17 2HG2 ILE 17 7.222 -1.008 3.449 144 HG23 ILE 17 3HG2 ILE 17 7.384 0.605 2.754 145 HD11 ILE 17 3HD1 ILE 17 3.348 -0.579 2.407 146 HD12 ILE 17 1HD1 ILE 17 3.087 -2.087 3.288 147 HD13 ILE 17 2HD1 ILE 17 4.570 -1.853 2.366 148 H THR 18 H THR 18 8.541 0.867 6.094 149 HA THR 18 HA THR 18 9.333 3.540 5.392 150 HB THR 18 HB THR 18 10.981 1.163 6.376 151 HG1 THR 18 HG1 THR 18 10.756 2.205 8.393 152 HG21 THR 18 3HG2 THR 18 11.751 4.113 6.295 153 HG22 THR 18 1HG2 THR 18 12.441 2.850 5.270 154 HG23 THR 18 2HG2 THR 18 12.703 2.815 7.014 155 H LEU 19 H LEU 19 10.259 4.237 3.556 156 HA LEU 19 HA LEU 19 11.142 2.327 1.477 157 HB2 LEU 19 2HB LEU 19 10.656 5.320 1.173 158 HB3 LEU 19 1HB LEU 19 10.839 4.133 -0.111 159 HG LEU 19 HG LEU 19 8.473 4.373 1.795 160 HD11 LEU 19 1HD1 LEU 19 8.621 4.901 -1.181 161 HD12 LEU 19 2HD1 LEU 19 8.466 6.112 0.095 162 HD13 LEU 19 3HD1 LEU 19 7.164 4.961 -0.186 163 HD21 LEU 19 3HD2 LEU 19 8.865 2.353 -0.440 164 HD22 LEU 19 1HD2 LEU 19 7.377 2.594 0.482 165 HD23 LEU 19 2HD2 LEU 19 8.827 2.006 1.292 166 H SER 20 H SER 20 13.101 3.193 0.165 167 HA SER 20 HA SER 20 15.296 3.418 2.024 168 HB2 SER 20 2HB SER 20 15.425 1.946 0.012 169 HB3 SER 20 1HB SER 20 15.359 3.370 -1.028 170 HG SER 20 HG SER 20 17.383 3.855 -0.513 171 H GLU 21 H GLU 21 13.530 5.630 0.005 172 HA GLU 21 HA GLU 21 15.631 7.614 -0.157 173 HB2 GLU 21 2HB GLU 21 12.724 7.819 -1.028 174 HB3 GLU 21 1HB GLU 21 13.980 8.993 -1.385 175 HG2 GLU 21 2HG GLU 21 13.613 7.730 -3.369 176 HG3 GLU 21 1HG GLU 21 15.166 7.219 -2.717 177 H SER 22 H SER 22 15.859 7.688 2.189 178 HA SER 22 HA SER 22 13.937 9.288 3.693 179 HB2 SER 22 2HB SER 22 15.230 7.411 4.772 180 HB3 SER 22 1HB SER 22 16.712 8.323 4.513 181 HG SER 22 HG SER 22 14.478 9.113 6.078 182 H ARG 23 H ARG 23 14.942 11.235 4.912 183 HA ARG 23 HA ARG 23 15.528 13.415 4.816 184 HB2 ARG 23 2HB ARG 23 17.561 12.598 2.684 185 HB3 ARG 23 1HB ARG 23 17.519 14.150 3.508 186 HG2 ARG 23 2HG ARG 23 18.018 11.484 4.875 187 HG3 ARG 23 1HG ARG 23 19.275 12.619 4.379 188 HD2 ARG 23 2HD ARG 23 17.080 13.192 6.397 189 HD3 ARG 23 1HD ARG 23 18.756 12.799 6.790 190 HE ARG 23 HE ARG 23 19.056 14.945 5.196 191 HH11 ARG 23 1HH1 ARG 23 16.978 14.465 7.982 192 HH12 ARG 23 2HH1 ARG 23 17.018 16.139 8.436 193 HH21 ARG 23 1HH2 ARG 23 19.100 17.119 5.821 194 HH22 ARG 23 2HH2 ARG 23 18.207 17.630 7.226 195 H GLU 24 H GLU 24 15.758 15.323 3.117 196 HA GLU 24 HA GLU 24 14.566 16.713 1.816 197 HB2 GLU 24 2HB GLU 24 14.533 14.286 -0.017 198 HB3 GLU 24 1HB GLU 24 13.880 15.844 -0.500 199 HG2 GLU 24 2HG GLU 24 16.084 15.610 -1.429 200 HG3 GLU 24 1HG GLU 24 16.128 16.863 -0.192 201 H GLY 25 H GLY 25 12.684 13.844 0.874 202 HA2 GLY 25 2HA GLY 25 10.587 13.366 2.160 203 HA3 GLY 25 1HA GLY 25 10.238 15.085 2.017 204 H MET 26 H MET 26 8.902 12.574 0.966 205 HA MET 26 HA MET 26 8.790 13.113 -1.907 206 HB2 MET 26 2HB MET 26 7.356 11.066 -0.154 207 HB3 MET 26 1HB MET 26 7.190 11.170 -1.903 208 HG2 MET 26 2HG MET 26 9.563 10.636 -2.180 209 HG3 MET 26 1HG MET 26 9.764 10.575 -0.425 210 HE1 MET 26 3HE MET 26 10.076 6.812 -1.334 211 HE2 MET 26 1HE MET 26 10.754 8.146 -0.403 212 HE3 MET 26 2HE MET 26 10.744 8.215 -2.167 213 H THR 27 H THR 27 6.094 12.692 -2.432 214 HA THR 27 HA THR 27 4.840 15.137 -1.415 215 HB THR 27 HB THR 27 3.738 13.191 -3.480 216 HG1 THR 27 HG1 THR 27 5.923 14.811 -3.626 217 HG21 THR 27 3HG2 THR 27 2.531 15.146 -4.352 218 HG22 THR 27 1HG2 THR 27 3.245 16.173 -3.110 219 HG23 THR 27 2HG2 THR 27 2.115 14.893 -2.655 220 H SER 28 H SER 28 2.750 15.140 -0.505 221 HA SER 28 HA SER 28 2.094 12.832 1.163 222 HB2 SER 28 2HB SER 28 0.429 14.417 2.200 223 HB3 SER 28 1HB SER 28 2.096 14.981 2.291 224 HG SER 28 HG SER 28 -0.034 16.166 1.165 225 H ASP 29 H ASP 29 0.980 11.309 0.157 226 HA ASP 29 HA ASP 29 -1.237 11.976 -1.687 227 HB2 ASP 29 2HB ASP 29 0.788 9.704 -1.887 228 HB3 ASP 29 1HB ASP 29 -0.612 9.897 -2.932 229 H THR 30 H THR 30 -2.889 11.682 -0.175 230 HA THR 30 HA THR 30 -3.142 9.103 1.195 231 HB THR 30 HB THR 30 -5.152 11.405 1.156 232 HG1 THR 30 HG1 THR 30 -2.717 11.454 2.146 233 HG21 THR 30 3HG2 THR 30 -5.915 10.453 3.302 234 HG22 THR 30 1HG2 THR 30 -4.726 9.156 3.175 235 HG23 THR 30 2HG2 THR 30 -6.056 9.256 2.016 236 H TYR 31 H TYR 31 -3.214 7.786 -0.673 237 HA TYR 31 HA TYR 31 -5.248 8.104 -2.716 238 HB2 TYR 31 2HB TYR 31 -3.237 5.876 -2.196 239 HB3 TYR 31 1HB TYR 31 -4.317 5.930 -3.581 240 HD1 TYR 31 HD1 TYR 31 -4.140 8.758 -4.448 241 HD2 TYR 31 HD2 TYR 31 -1.065 6.109 -3.101 242 HE1 TYR 31 HE1 TYR 31 -2.490 9.985 -5.793 243 HE2 TYR 31 HE2 TYR 31 0.580 7.341 -4.443 244 HH TYR 31 HH TYR 31 -0.023 10.365 -5.799 245 H THR 32 H THR 32 -7.280 7.578 -2.240 246 HA THR 32 HA THR 32 -7.893 5.259 -0.483 247 HB THR 32 HB THR 32 -9.992 6.612 0.129 248 HG1 THR 32 HG1 THR 32 -8.672 8.974 -0.568 249 HG21 THR 32 3HG2 THR 32 -8.828 8.068 1.768 250 HG22 THR 32 1HG2 THR 32 -7.306 7.824 0.907 251 HG23 THR 32 2HG2 THR 32 -8.095 6.464 1.709 252 H LYS 33 H LYS 33 -8.868 7.222 -3.263 253 HA LYS 33 HA LYS 33 -10.371 4.970 -4.403 254 HB2 LYS 33 2HB LYS 33 -11.909 6.531 -3.063 255 HB3 LYS 33 1HB LYS 33 -11.552 7.780 -4.245 256 HG2 LYS 33 2HG LYS 33 -13.658 6.899 -4.874 257 HG3 LYS 33 1HG LYS 33 -12.521 6.199 -6.017 258 HD2 LYS 33 2HD LYS 33 -13.425 4.681 -3.540 259 HD3 LYS 33 1HD LYS 33 -14.375 4.663 -5.022 260 HE2 LYS 33 2HE LYS 33 -12.518 3.635 -6.241 261 HE3 LYS 33 1HE LYS 33 -11.487 3.736 -4.814 262 HZ1 LYS 33 3HZ LYS 33 -13.103 2.262 -3.683 263 HZ2 LYS 33 1HZ LYS 33 -12.311 1.545 -4.996 264 HZ3 LYS 33 2HZ LYS 33 -13.907 2.071 -5.158 265 H VAL 34 H VAL 34 -7.824 5.927 -5.023 266 HA VAL 34 HA VAL 34 -6.464 6.212 -6.781 267 HB VAL 34 HB VAL 34 -9.031 5.887 -8.378 268 HG11 VAL 34 1HG1 VAL 34 -7.630 5.481 -10.395 269 HG12 VAL 34 2HG1 VAL 34 -6.191 5.961 -9.492 270 HG13 VAL 34 3HG1 VAL 34 -7.468 7.138 -9.810 271 HG21 VAL 34 3HG2 VAL 34 -8.155 3.607 -8.835 272 HG22 VAL 34 1HG2 VAL 34 -8.342 3.895 -7.104 273 HG23 VAL 34 2HG2 VAL 34 -6.739 3.950 -7.837 274 H ASP 35 H ASP 35 -5.378 7.999 -7.290 275 HA ASP 35 HA ASP 35 -6.776 10.514 -7.878 276 HB2 ASP 35 2HB ASP 35 -4.905 10.592 -6.253 277 HB3 ASP 35 1HB ASP 35 -3.798 9.970 -7.470 278 H ASP 36 H ASP 36 -3.712 9.394 -9.311 279 HA ASP 36 HA ASP 36 -4.320 8.824 -11.925 280 HB2 ASP 36 2HB ASP 36 -5.508 10.939 -12.196 281 HB3 ASP 36 1HB ASP 36 -4.186 11.849 -11.487 282 H SER 37 H SER 37 -2.312 10.839 -9.830 283 HA SER 37 HA SER 37 0.037 10.984 -11.395 284 HB2 SER 37 2HB SER 37 1.094 11.697 -9.167 285 HB3 SER 37 1HB SER 37 -0.321 12.624 -9.668 286 HG SER 37 HG SER 37 -1.343 11.952 -7.965 287 H GLN 38 H GLN 38 -0.945 8.783 -8.826 288 HA GLN 38 HA GLN 38 1.300 7.149 -8.635 289 HB2 GLN 38 2HB GLN 38 -0.304 5.417 -7.768 290 HB3 GLN 38 1HB GLN 38 -0.510 6.993 -7.020 291 HG2 GLN 38 2HG GLN 38 -2.430 7.420 -8.578 292 HG3 GLN 38 1HG GLN 38 -2.266 5.767 -9.161 293 HE21 GLN 38 1HE2 GLN 38 -1.691 4.711 -6.455 294 HE22 GLN 38 2HE2 GLN 38 -3.189 4.732 -5.611 295 HA PRO 39 HA PRO 39 1.425 4.649 -12.491 296 HB2 PRO 39 2HB PRO 39 2.226 2.543 -10.456 297 HB3 PRO 39 1HB PRO 39 2.964 2.940 -12.027 298 HG2 PRO 39 2HG PRO 39 4.106 3.751 -9.774 299 HG3 PRO 39 1HG PRO 39 4.067 4.805 -11.207 300 HD2 PRO 39 2HD PRO 39 2.438 4.992 -8.691 301 HD3 PRO 39 1HD PRO 39 3.057 6.284 -9.741 302 H ALA 40 H ALA 40 0.229 3.000 -13.443 303 HA ALA 40 HA ALA 40 -2.388 2.435 -12.636 304 HB1 ALA 40 3HB ALA 40 -2.409 0.772 -14.463 305 HB2 ALA 40 1HB ALA 40 -0.646 0.846 -14.557 306 HB3 ALA 40 2HB ALA 40 -1.612 2.262 -14.974 307 H PHE 41 H PHE 41 0.597 0.742 -12.053 308 HA PHE 41 HA PHE 41 -0.324 -1.730 -11.068 309 HB2 PHE 41 2HB PHE 41 2.223 -0.257 -10.265 310 HB3 PHE 41 1HB PHE 41 1.935 -1.991 -10.171 311 HD1 PHE 41 HD1 PHE 41 1.651 -3.304 -12.369 312 HD2 PHE 41 HD2 PHE 41 3.105 0.721 -12.259 313 HE1 PHE 41 HE1 PHE 41 2.614 -3.581 -14.616 314 HE2 PHE 41 HE2 PHE 41 4.064 0.433 -14.503 315 HZ PHE 41 HZ PHE 41 3.823 -1.716 -15.686 316 H ILE 42 H ILE 42 0.103 1.421 -9.492 317 HA ILE 42 HA ILE 42 -0.371 0.439 -6.800 318 HB ILE 42 HB ILE 42 -0.430 3.358 -7.698 319 HG12 ILE 42 2HG1 ILE 42 1.732 2.233 -8.407 320 HG13 ILE 42 1HG1 ILE 42 1.954 3.546 -7.264 321 HG21 ILE 42 1HG2 ILE 42 0.144 2.092 -4.979 322 HG22 ILE 42 2HG2 ILE 42 -1.309 2.985 -5.432 323 HG23 ILE 42 3HG2 ILE 42 0.240 3.819 -5.339 324 HD11 ILE 42 3HD1 ILE 42 3.410 1.642 -6.799 325 HD12 ILE 42 1HD1 ILE 42 1.993 0.614 -6.574 326 HD13 ILE 42 2HD1 ILE 42 2.297 1.954 -5.468 327 H ASN 43 H ASN 43 -2.318 1.612 -9.473 328 HA ASN 43 HA ASN 43 -4.718 2.235 -8.027 329 HB2 ASN 43 2HB ASN 43 -4.328 1.363 -10.923 330 HB3 ASN 43 1HB ASN 43 -5.840 1.948 -10.252 331 HD21 ASN 43 1HD2 ASN 43 -4.730 4.095 -8.677 332 HD22 ASN 43 2HD2 ASN 43 -4.190 5.296 -9.792 333 H ASP 44 H ASP 44 -3.320 -0.674 -9.470 334 HA ASP 44 HA ASP 44 -5.414 -2.507 -9.054 335 HB2 ASP 44 2HB ASP 44 -3.487 -3.092 -10.436 336 HB3 ASP 44 1HB ASP 44 -2.397 -2.911 -9.068 337 H ILE 45 H ILE 45 -2.777 -1.451 -6.915 338 HA ILE 45 HA ILE 45 -3.203 -3.116 -4.710 339 HB ILE 45 HB ILE 45 -2.252 -0.212 -4.654 340 HG12 ILE 45 2HG1 ILE 45 -0.653 -2.803 -4.852 341 HG13 ILE 45 1HG1 ILE 45 -0.827 -1.586 -6.110 342 HG21 ILE 45 1HG2 ILE 45 -1.171 -0.750 -2.501 343 HG22 ILE 45 2HG2 ILE 45 -1.870 -2.370 -2.547 344 HG23 ILE 45 3HG2 ILE 45 -2.920 -0.961 -2.411 345 HD11 ILE 45 3HD1 ILE 45 0.402 0.021 -4.696 346 HD12 ILE 45 1HD1 ILE 45 1.342 -1.423 -5.073 347 HD13 ILE 45 2HD1 ILE 45 0.614 -1.243 -3.479 348 H LEU 46 H LEU 46 -4.633 0.077 -5.426 349 HA LEU 46 HA LEU 46 -6.309 0.223 -3.145 350 HB2 LEU 46 2HB LEU 46 -6.511 1.546 -5.869 351 HB3 LEU 46 1HB LEU 46 -7.583 1.937 -4.531 352 HG LEU 46 HG LEU 46 -4.556 2.286 -4.469 353 HD11 LEU 46 1HD1 LEU 46 -5.622 3.875 -6.026 354 HD12 LEU 46 2HD1 LEU 46 -4.932 4.668 -4.619 355 HD13 LEU 46 3HD1 LEU 46 -6.677 4.436 -4.725 356 HD21 LEU 46 3HD2 LEU 46 -6.666 3.141 -2.451 357 HD22 LEU 46 1HD2 LEU 46 -4.942 3.520 -2.366 358 HD23 LEU 46 2HD2 LEU 46 -5.481 1.848 -2.238 359 H LYS 47 H LYS 47 -6.830 -1.248 -6.325 360 HA LYS 47 HA LYS 47 -9.629 -1.854 -5.839 361 HB2 LYS 47 2HB LYS 47 -7.723 -2.310 -8.124 362 HB3 LYS 47 1HB LYS 47 -9.135 -3.356 -8.028 363 HG2 LYS 47 2HG LYS 47 -9.550 -1.448 -9.498 364 HG3 LYS 47 1HG LYS 47 -10.626 -1.425 -8.099 365 HD2 LYS 47 2HD LYS 47 -9.162 0.291 -7.032 366 HD3 LYS 47 1HD LYS 47 -8.133 0.287 -8.468 367 HE2 LYS 47 2HE LYS 47 -11.054 1.105 -8.342 368 HE3 LYS 47 1HE LYS 47 -9.669 2.180 -8.545 369 HZ1 LYS 47 3HZ LYS 47 -10.600 0.117 -10.465 370 HZ2 LYS 47 1HZ LYS 47 -9.183 1.023 -10.645 371 HZ3 LYS 47 2HZ LYS 47 -10.683 1.792 -10.652 372 H VAL 48 H VAL 48 -6.788 -3.265 -4.735 373 HA VAL 48 HA VAL 48 -7.725 -5.939 -4.363 374 HB VAL 48 HB VAL 48 -5.755 -4.291 -2.699 375 HG11 VAL 48 1HG1 VAL 48 -6.304 -7.283 -2.533 376 HG12 VAL 48 2HG1 VAL 48 -6.664 -6.080 -1.291 377 HG13 VAL 48 3HG1 VAL 48 -4.990 -6.437 -1.711 378 HG21 VAL 48 3HG2 VAL 48 -5.216 -6.426 -4.803 379 HG22 VAL 48 1HG2 VAL 48 -3.995 -5.595 -3.838 380 HG23 VAL 48 2HG2 VAL 48 -4.964 -4.690 -4.999 381 H GLU 49 H GLU 49 -9.640 -6.325 -3.359 382 HA GLU 49 HA GLU 49 -10.817 -4.808 -1.272 383 HB2 GLU 49 2HB GLU 49 -11.127 -7.765 -1.960 384 HB3 GLU 49 1HB GLU 49 -12.125 -6.913 -0.787 385 HG2 GLU 49 2HG GLU 49 -11.976 -6.350 -3.764 386 HG3 GLU 49 1HG GLU 49 -13.297 -7.152 -2.911 387 H GLY 50 H GLY 50 -9.291 -4.267 0.209 388 HA2 GLY 50 2HA GLY 50 -8.609 -5.786 2.380 389 HA3 GLY 50 1HA GLY 50 -7.331 -6.108 1.212 390 H VAL 51 H VAL 51 -7.009 -3.658 -0.010 391 HA VAL 51 HA VAL 51 -5.133 -2.617 1.891 392 HB VAL 51 HB VAL 51 -5.795 -1.738 -0.951 393 HG11 VAL 51 1HG1 VAL 51 -3.463 -0.808 0.793 394 HG12 VAL 51 2HG1 VAL 51 -4.814 0.197 0.261 395 HG13 VAL 51 3HG1 VAL 51 -3.675 -0.444 -0.920 396 HG21 VAL 51 3HG2 VAL 51 -3.700 -2.914 -1.522 397 HG22 VAL 51 1HG2 VAL 51 -4.832 -4.010 -0.728 398 HG23 VAL 51 2HG2 VAL 51 -3.463 -3.351 0.171 399 H LYS 52 H LYS 52 -8.072 -1.263 0.469 400 HA LYS 52 HA LYS 52 -9.536 0.325 1.014 401 HB2 LYS 52 2HB LYS 52 -9.488 -0.663 3.281 402 HB3 LYS 52 1HB LYS 52 -8.120 0.353 3.698 403 HG2 LYS 52 2HG LYS 52 -9.893 2.289 2.993 404 HG3 LYS 52 1HG LYS 52 -11.024 1.049 3.525 405 HD2 LYS 52 2HD LYS 52 -8.781 2.304 5.150 406 HD3 LYS 52 1HD LYS 52 -10.512 2.550 5.375 407 HE2 LYS 52 2HE LYS 52 -10.792 0.263 6.121 408 HE3 LYS 52 1HE LYS 52 -9.114 -0.119 5.735 409 HZ1 LYS 52 3HZ LYS 52 -8.430 1.495 7.422 410 HZ2 LYS 52 1HZ LYS 52 -9.362 0.246 8.074 411 HZ3 LYS 52 2HZ LYS 52 -10.050 1.765 7.823 412 H SER 53 H SER 53 -6.625 1.467 2.735 413 HA SER 53 HA SER 53 -6.601 3.938 1.104 414 HB2 SER 53 2HB SER 53 -7.814 4.396 3.221 415 HB3 SER 53 1HB SER 53 -6.432 3.815 4.148 416 HG SER 53 HG SER 53 -5.228 5.556 3.348 417 H ILE 54 H ILE 54 -4.637 4.979 0.955 418 HA ILE 54 HA ILE 54 -2.164 3.693 1.951 419 HB ILE 54 HB ILE 54 -2.713 4.798 -0.858 420 HG12 ILE 54 2HG1 ILE 54 -1.810 2.017 0.022 421 HG13 ILE 54 1HG1 ILE 54 -3.430 2.442 -0.513 422 HG21 ILE 54 1HG2 ILE 54 -0.015 3.949 0.265 423 HG22 ILE 54 2HG2 ILE 54 -0.500 5.594 -0.145 424 HG23 ILE 54 3HG2 ILE 54 -0.337 4.385 -1.414 425 HD11 ILE 54 3HD1 ILE 54 -2.255 1.315 -2.271 426 HD12 ILE 54 1HD1 ILE 54 -0.918 2.459 -2.178 427 HD13 ILE 54 2HD1 ILE 54 -2.501 2.996 -2.743 428 H PHE 55 H PHE 55 -1.543 5.199 3.459 429 HA PHE 55 HA PHE 55 -1.747 8.077 2.837 430 HB2 PHE 55 2HB PHE 55 -2.681 7.325 5.022 431 HB3 PHE 55 1HB PHE 55 -1.100 6.706 5.489 432 HD1 PHE 55 HD1 PHE 55 -2.741 9.886 4.333 433 HD2 PHE 55 HD2 PHE 55 0.327 8.125 6.740 434 HE1 PHE 55 HE1 PHE 55 -2.159 12.103 5.213 435 HE2 PHE 55 HE2 PHE 55 0.903 10.347 7.620 436 HZ PHE 55 HZ PHE 55 -0.339 12.337 6.862 437 H HIS 56 H HIS 56 -0.075 8.272 1.415 438 HA HIS 56 HA HIS 56 2.675 7.532 2.153 439 HB2 HIS 56 2HB HIS 56 1.969 6.974 -0.109 440 HB3 HIS 56 1HB HIS 56 1.379 8.606 -0.399 441 HD1 HIS 56 HD1 HIS 56 2.908 9.934 -1.814 442 HD2 HIS 56 HD2 HIS 56 4.980 7.091 0.402 443 HE1 HIS 56 HE1 HIS 56 5.293 10.110 -2.568 444 HE2 HIS 56 HE2 HIS 56 6.500 8.299 -1.301 445 H VAL 57 H VAL 57 4.150 9.030 2.862 446 HA VAL 57 HA VAL 57 4.212 11.748 2.062 447 HB VAL 57 HB VAL 57 2.302 11.914 3.710 448 HG11 VAL 57 1HG1 VAL 57 2.965 10.187 5.303 449 HG12 VAL 57 2HG1 VAL 57 2.667 11.726 6.111 450 HG13 VAL 57 3HG1 VAL 57 4.323 11.181 5.832 451 HG21 VAL 57 3HG2 VAL 57 3.112 13.893 4.947 452 HG22 VAL 57 1HG2 VAL 57 3.661 13.918 3.267 453 HG23 VAL 57 2HG2 VAL 57 4.778 13.462 4.557 454 H MET 58 H MET 58 6.074 12.860 2.915 455 HA MET 58 HA MET 58 8.293 12.911 2.894 456 HB2 MET 58 2HB MET 58 9.383 12.504 5.128 457 HB3 MET 58 1HB MET 58 7.989 13.564 5.135 458 HG2 MET 58 2HG MET 58 6.619 11.844 6.130 459 HG3 MET 58 1HG MET 58 7.924 10.667 5.981 460 HE1 MET 58 3HE MET 58 8.307 14.462 7.054 461 HE2 MET 58 1HE MET 58 8.173 14.342 8.809 462 HE3 MET 58 2HE MET 58 6.769 14.014 7.794 463 H ASP 59 H ASP 59 8.303 9.735 4.654 464 HA ASP 59 HA ASP 59 9.959 8.637 2.469 465 HB2 ASP 59 2HB ASP 59 11.777 8.019 3.927 466 HB3 ASP 59 1HB ASP 59 11.479 9.733 4.163 467 H PHE 60 H PHE 60 7.212 8.112 3.685 468 HA PHE 60 HA PHE 60 7.506 5.209 3.846 469 HB2 PHE 60 2HB PHE 60 6.301 4.965 5.944 470 HB3 PHE 60 1HB PHE 60 7.716 5.972 6.191 471 HD1 PHE 60 HD2 PHE 60 7.465 8.409 6.662 472 HD2 PHE 60 HD1 PHE 60 4.047 5.868 6.265 473 HE1 PHE 60 HE2 PHE 60 6.067 10.088 7.774 474 HE2 PHE 60 HE1 PHE 60 2.662 7.563 7.373 475 HZ PHE 60 HZ PHE 60 3.668 9.676 8.118 476 H ILE 61 H ILE 61 5.450 4.062 3.979 477 HA ILE 61 HA ILE 61 3.106 5.391 2.764 478 HB ILE 61 HB ILE 61 4.258 2.651 1.969 479 HG12 ILE 61 2HG1 ILE 61 4.005 5.215 0.309 480 HG13 ILE 61 1HG1 ILE 61 5.506 4.549 0.937 481 HG21 ILE 61 1HG2 ILE 61 1.738 4.036 0.955 482 HG22 ILE 61 2HG2 ILE 61 1.798 2.603 1.983 483 HG23 ILE 61 3HG2 ILE 61 2.399 2.524 0.329 484 HD11 ILE 61 3HD1 ILE 61 5.277 4.091 -1.421 485 HD12 ILE 61 1HD1 ILE 61 3.732 3.287 -1.150 486 HD13 ILE 61 2HD1 ILE 61 5.218 2.580 -0.513 487 H SER 62 H SER 62 1.857 5.352 4.624 488 HA SER 62 HA SER 62 1.629 3.004 6.297 489 HB2 SER 62 2HB SER 62 0.108 5.640 6.350 490 HB3 SER 62 1HB SER 62 -0.054 4.356 7.555 491 HG SER 62 HG SER 62 2.500 5.307 6.946 492 H VAL 63 H VAL 63 0.793 1.355 5.094 493 HA VAL 63 HA VAL 63 -1.567 1.672 3.430 494 HB VAL 63 HB VAL 63 -0.054 -0.861 4.251 495 HG11 VAL 63 1HG1 VAL 63 -2.390 -1.427 3.693 496 HG12 VAL 63 2HG1 VAL 63 -1.307 -2.013 2.433 497 HG13 VAL 63 3HG1 VAL 63 -2.263 -0.552 2.164 498 HG21 VAL 63 3HG2 VAL 63 0.001 0.690 1.627 499 HG22 VAL 63 1HG2 VAL 63 0.864 -0.816 1.954 500 HG23 VAL 63 2HG2 VAL 63 1.290 0.653 2.832 501 H ASP 64 H ASP 64 -3.380 2.045 4.475 502 HA ASP 64 HA ASP 64 -4.006 0.851 7.075 503 HB2 ASP 64 2HB ASP 64 -4.323 3.271 6.890 504 HB3 ASP 64 1HB ASP 64 -5.361 3.065 5.497 505 H LYS 65 H LYS 65 -4.386 -1.268 6.362 506 HA LYS 65 HA LYS 65 -6.325 -1.856 4.329 507 HB2 LYS 65 2HB LYS 65 -5.885 -4.168 4.721 508 HB3 LYS 65 1HB LYS 65 -4.340 -3.340 4.867 509 HG2 LYS 65 2HG LYS 65 -4.304 -3.592 7.228 510 HG3 LYS 65 1HG LYS 65 -6.008 -4.029 7.291 511 HD2 LYS 65 2HD LYS 65 -5.427 -6.132 5.999 512 HD3 LYS 65 1HD LYS 65 -3.723 -5.702 6.203 513 HE2 LYS 65 2HE LYS 65 -4.441 -7.315 7.912 514 HE3 LYS 65 1HE LYS 65 -3.986 -5.781 8.649 515 HZ1 LYS 65 3HZ LYS 65 -6.342 -5.220 8.796 516 HZ2 LYS 65 1HZ LYS 65 -6.000 -6.651 9.623 517 HZ3 LYS 65 2HZ LYS 65 -6.755 -6.704 8.118 518 H GLU 66 H GLU 66 -8.064 -3.557 4.927 519 HA GLU 66 HA GLU 66 -9.954 -2.316 6.697 520 HB2 GLU 66 2HB GLU 66 -10.143 -4.967 5.210 521 HB3 GLU 66 1HB GLU 66 -11.486 -4.052 5.896 522 HG2 GLU 66 2HG GLU 66 -11.104 -2.242 4.299 523 HG3 GLU 66 1HG GLU 66 -9.713 -3.096 3.631 524 H ASN 67 H ASN 67 -11.311 -3.981 8.124 525 HA ASN 67 HA ASN 67 -9.586 -4.739 10.276 526 HB2 ASN 67 2HB ASN 67 -12.575 -5.206 9.897 527 HB3 ASN 67 1HB ASN 67 -11.695 -5.546 11.384 528 HD21 ASN 67 1HD2 ASN 67 -13.165 -3.095 9.455 529 HD22 ASN 67 2HD2 ASN 67 -12.862 -1.770 10.522 530 H ASP 68 H ASP 68 -11.907 -6.732 8.364 531 HA ASP 68 HA ASP 68 -10.959 -9.186 9.487 532 HB2 ASP 68 2HB ASP 68 -13.313 -8.757 8.642 533 HB3 ASP 68 1HB ASP 68 -12.695 -8.847 6.997 534 H ALA 69 H ALA 69 -10.538 -7.607 6.341 535 HA ALA 69 HA ALA 69 -9.181 -9.557 4.879 536 HB1 ALA 69 3HB ALA 69 -10.059 -7.471 3.885 537 HB2 ALA 69 1HB ALA 69 -8.358 -7.704 3.479 538 HB3 ALA 69 2HB ALA 69 -8.817 -6.542 4.725 539 H ASN 70 H ASN 70 -7.194 -10.439 5.060 540 HA ASN 70 HA ASN 70 -5.531 -9.582 7.344 541 HB2 ASN 70 2HB ASN 70 -6.483 -11.919 7.194 542 HB3 ASN 70 1HB ASN 70 -5.511 -12.188 5.753 543 HD21 ASN 70 1HD2 ASN 70 -4.493 -13.959 6.771 544 HD22 ASN 70 2HD2 ASN 70 -3.288 -13.729 7.992 545 H TRP 71 H TRP 71 -3.173 -9.525 7.187 546 HA TRP 71 HA TRP 71 -2.145 -8.197 4.906 547 HB2 TRP 71 2HB TRP 71 -0.724 -9.460 7.278 548 HB3 TRP 71 1HB TRP 71 0.149 -8.613 6.004 549 HD1 TRP 71 HD1 TRP 71 -1.461 -7.951 9.275 550 HE1 TRP 71 HE1 TRP 71 -1.724 -5.422 9.666 551 HE3 TRP 71 HE3 TRP 71 -0.475 -6.257 4.535 552 HZ2 TRP 71 HZ2 TRP 71 -1.533 -3.037 8.196 553 HZ3 TRP 71 HZ3 TRP 71 -0.536 -3.830 4.121 554 HH2 TRP 71 HH2 TRP 71 -1.053 -2.252 5.915 555 H GLU 72 H GLU 72 -2.424 -11.609 5.528 556 HA GLU 72 HA GLU 72 -0.385 -12.502 3.740 557 HB2 GLU 72 2HB GLU 72 -2.879 -13.996 4.615 558 HB3 GLU 72 1HB GLU 72 -1.416 -14.712 3.947 559 HG2 GLU 72 2HG GLU 72 -1.705 -13.330 6.634 560 HG3 GLU 72 1HG GLU 72 -1.482 -15.053 6.349 561 H THR 73 H THR 73 -3.609 -11.298 3.232 562 HA THR 73 HA THR 73 -3.572 -11.964 0.372 563 HB THR 73 HB THR 73 -5.629 -10.393 2.002 564 HG1 THR 73 HG1 THR 73 -5.312 -13.125 1.334 565 HG21 THR 73 3HG2 THR 73 -5.726 -9.841 -0.428 566 HG22 THR 73 1HG2 THR 73 -7.147 -10.755 0.085 567 HG23 THR 73 2HG2 THR 73 -5.856 -11.558 -0.810 568 H VAL 74 H VAL 74 -3.424 -9.134 2.521 569 HA VAL 74 HA VAL 74 -3.519 -7.146 0.472 570 HB VAL 74 HB VAL 74 -2.711 -6.885 3.409 571 HG11 VAL 74 1HG1 VAL 74 -1.882 -4.948 2.132 572 HG12 VAL 74 2HG1 VAL 74 -3.217 -4.469 3.179 573 HG13 VAL 74 3HG1 VAL 74 -3.489 -4.688 1.449 574 HG21 VAL 74 3HG2 VAL 74 -5.021 -6.102 3.783 575 HG22 VAL 74 1HG2 VAL 74 -5.013 -7.741 3.131 576 HG23 VAL 74 2HG2 VAL 74 -5.406 -6.376 2.082 577 H LEU 75 H LEU 75 -0.858 -8.101 2.667 578 HA LEU 75 HA LEU 75 1.043 -6.264 1.783 579 HB2 LEU 75 2HB LEU 75 0.999 -7.583 3.954 580 HB3 LEU 75 1HB LEU 75 1.661 -8.947 3.081 581 HG LEU 75 HG LEU 75 3.139 -6.283 3.304 582 HD11 LEU 75 1HD1 LEU 75 2.740 -7.110 5.585 583 HD12 LEU 75 2HD1 LEU 75 4.445 -7.235 5.158 584 HD13 LEU 75 3HD1 LEU 75 3.428 -8.678 5.156 585 HD21 LEU 75 3HD2 LEU 75 3.997 -7.721 1.508 586 HD22 LEU 75 1HD2 LEU 75 4.158 -9.075 2.628 587 HD23 LEU 75 2HD2 LEU 75 5.157 -7.635 2.827 588 HA PRO 76 HA PRO 76 3.156 -9.848 -0.956 589 HB2 PRO 76 2HB PRO 76 1.379 -11.643 -2.147 590 HB3 PRO 76 1HB PRO 76 2.286 -11.985 -0.658 591 HG2 PRO 76 2HG PRO 76 -0.526 -10.975 -0.953 592 HG3 PRO 76 1HG PRO 76 0.099 -12.274 0.097 593 HD2 PRO 76 2HD PRO 76 -0.375 -9.860 1.129 594 HD3 PRO 76 1HD PRO 76 1.088 -10.751 1.609 595 H LYS 77 H LYS 77 -0.085 -8.625 -1.666 596 HA LYS 77 HA LYS 77 0.232 -8.387 -4.512 597 HB2 LYS 77 2HB LYS 77 -1.774 -7.174 -2.571 598 HB3 LYS 77 1HB LYS 77 -1.871 -6.974 -4.321 599 HG2 LYS 77 2HG LYS 77 -2.131 -9.376 -4.631 600 HG3 LYS 77 1HG LYS 77 -1.914 -9.656 -2.900 601 HD2 LYS 77 2HD LYS 77 -3.999 -8.554 -2.385 602 HD3 LYS 77 1HD LYS 77 -4.168 -7.979 -4.044 603 HE2 LYS 77 2HE LYS 77 -4.254 -10.891 -3.202 604 HE3 LYS 77 1HE LYS 77 -5.662 -9.883 -3.548 605 HZ1 LYS 77 3HZ LYS 77 -4.703 -9.538 -5.801 606 HZ2 LYS 77 1HZ LYS 77 -5.174 -11.128 -5.481 607 HZ3 LYS 77 2HZ LYS 77 -3.540 -10.708 -5.442 608 H VAL 78 H VAL 78 0.550 -6.151 -1.781 609 HA VAL 78 HA VAL 78 1.158 -3.787 -3.258 610 HB VAL 78 HB VAL 78 2.047 -4.511 -0.416 611 HG11 VAL 78 1HG1 VAL 78 1.792 -1.775 -1.731 612 HG12 VAL 78 2HG1 VAL 78 3.298 -2.584 -1.292 613 HG13 VAL 78 3HG1 VAL 78 2.180 -2.061 -0.031 614 HG21 VAL 78 3HG2 VAL 78 -0.405 -4.692 -0.624 615 HG22 VAL 78 1HG2 VAL 78 -0.484 -3.059 -1.293 616 HG23 VAL 78 2HG2 VAL 78 0.037 -3.307 0.375 617 H GLU 79 H GLU 79 3.169 -6.241 -1.692 618 HA GLU 79 HA GLU 79 5.726 -5.285 -2.343 619 HB2 GLU 79 2HB GLU 79 5.263 -7.027 -0.633 620 HB3 GLU 79 1HB GLU 79 4.791 -8.153 -1.899 621 HG2 GLU 79 2HG GLU 79 7.152 -7.987 -2.801 622 HG3 GLU 79 1HG GLU 79 7.566 -7.045 -1.371 623 H ALA 80 H ALA 80 3.493 -7.392 -4.093 624 HA ALA 80 HA ALA 80 5.204 -8.318 -6.148 625 HB1 ALA 80 3HB ALA 80 3.151 -9.019 -7.302 626 HB2 ALA 80 1HB ALA 80 2.183 -8.037 -6.193 627 HB3 ALA 80 2HB ALA 80 3.085 -9.427 -5.587 628 H VAL 81 H VAL 81 3.388 -5.347 -5.779 629 HA VAL 81 HA VAL 81 3.508 -4.481 -8.505 630 HB VAL 81 HB VAL 81 3.024 -3.051 -5.870 631 HG11 VAL 81 1HG1 VAL 81 4.046 -1.347 -7.258 632 HG12 VAL 81 2HG1 VAL 81 2.311 -1.044 -7.194 633 HG13 VAL 81 3HG1 VAL 81 3.027 -1.778 -8.630 634 HG21 VAL 81 3HG2 VAL 81 1.240 -4.543 -6.624 635 HG22 VAL 81 1HG2 VAL 81 1.207 -3.763 -8.209 636 HG23 VAL 81 2HG2 VAL 81 0.711 -2.871 -6.774 637 H PHE 82 H PHE 82 5.580 -3.885 -5.662 638 HA PHE 82 HA PHE 82 7.588 -2.426 -7.062 639 HB2 PHE 82 2HB PHE 82 7.955 -4.113 -4.557 640 HB3 PHE 82 1HB PHE 82 8.939 -2.740 -5.071 641 HD1 PHE 82 HD2 PHE 82 7.161 -0.613 -5.734 642 HD2 PHE 82 HD1 PHE 82 6.691 -3.555 -2.667 643 HE1 PHE 82 HE2 PHE 82 5.645 0.891 -4.520 644 HE2 PHE 82 HE1 PHE 82 5.170 -2.048 -1.471 645 HZ PHE 82 HZ PHE 82 4.645 0.156 -2.402 646 H GLU 83 H GLU 83 7.130 -5.888 -6.453 647 HA GLU 83 HA GLU 83 9.514 -6.552 -8.074 648 HB2 GLU 83 2HB GLU 83 9.351 -7.191 -5.480 649 HB3 GLU 83 1HB GLU 83 8.306 -8.476 -6.056 650 HG2 GLU 83 2HG GLU 83 11.213 -8.036 -6.791 651 HG3 GLU 83 1HG GLU 83 10.572 -9.283 -5.733 652 H LEU 84 H LEU 84 8.115 -6.302 -9.886 653 HA LEU 84 HA LEU 84 5.731 -7.901 -10.298 654 HB2 LEU 84 2HB LEU 84 7.376 -6.063 -12.084 655 HB3 LEU 84 1HB LEU 84 5.915 -6.862 -12.639 656 HG LEU 84 HG LEU 84 5.940 -4.939 -10.280 657 HD11 LEU 84 1HD1 LEU 84 6.664 -3.696 -12.260 658 HD12 LEU 84 2HD1 LEU 84 5.030 -3.227 -11.801 659 HD13 LEU 84 3HD1 LEU 84 5.282 -4.303 -13.177 660 HD21 LEU 84 3HD2 LEU 84 3.657 -6.001 -11.980 661 HD22 LEU 84 1HD2 LEU 84 3.508 -4.827 -10.667 662 HD23 LEU 84 2HD2 LEU 84 4.026 -6.475 -10.322 663 H GLU 85 H GLU 85 7.935 -9.630 -9.756 664 HA GLU 85 HA GLU 85 9.035 -11.479 -10.434 665 HB2 GLU 85 2HB GLU 85 6.874 -12.102 -11.507 666 HB3 GLU 85 1HB GLU 85 7.308 -11.194 -12.944 667 HG2 GLU 85 2HG GLU 85 7.505 -13.586 -13.319 668 HG3 GLU 85 1HG GLU 85 9.074 -12.802 -13.462 669 H HIS 86 H HIS 86 10.726 -12.229 -12.251 670 HA HIS 86 HA HIS 86 12.261 -9.923 -13.160 671 HB2 HIS 86 2HB HIS 86 13.289 -12.107 -12.286 672 HB3 HIS 86 1HB HIS 86 12.799 -12.862 -13.803 673 HD1 HIS 86 HD1 HIS 86 14.712 -12.965 -15.381 674 HD2 HIS 86 HD2 HIS 86 14.872 -9.560 -13.002 675 HE1 HIS 86 HE1 HIS 86 16.775 -11.734 -16.113 676 HE2 HIS 86 HE2 HIS 86 16.960 -9.786 -14.517 677 H HIS 87 H HIS 87 10.266 -9.243 -14.305 678 HA HIS 87 HA HIS 87 10.146 -9.696 -17.093 679 HB2 HIS 87 2HB HIS 87 9.064 -11.834 -16.460 680 HB3 HIS 87 1HB HIS 87 7.959 -11.000 -15.379 681 HD1 HIS 87 HD1 HIS 87 5.845 -10.038 -16.397 682 HD2 HIS 87 HD2 HIS 87 8.470 -11.536 -19.249 683 HE1 HIS 87 HE1 HIS 87 4.550 -10.072 -18.545 684 HE2 HIS 87 HE2 HIS 87 6.094 -11.146 -20.214 685 H HIS 88 H HIS 88 10.223 -7.471 -17.105 686 HA HIS 88 HA HIS 88 8.675 -5.733 -15.449 687 HB2 HIS 88 2HB HIS 88 10.913 -5.165 -16.406 688 HB3 HIS 88 1HB HIS 88 10.211 -5.135 -18.018 689 HD1 HIS 88 HD1 HIS 88 9.670 -2.834 -18.802 690 HD2 HIS 88 HD2 HIS 88 9.512 -3.108 -14.656 691 HE1 HIS 88 HE1 HIS 88 9.203 -0.507 -17.993 692 HE2 HIS 88 HE2 HIS 88 8.908 -0.744 -15.503 693 H HIS 89 H HIS 89 7.920 -7.424 -18.301 694 HA HIS 89 HA HIS 89 5.951 -7.875 -19.257 695 HB2 HIS 89 2HB HIS 89 4.674 -7.281 -17.270 696 HB3 HIS 89 1HB HIS 89 4.802 -5.567 -17.646 697 HD1 HIS 89 HD1 HIS 89 2.689 -4.680 -18.560 698 HD2 HIS 89 HD2 HIS 89 3.239 -8.651 -19.638 699 HE1 HIS 89 HE1 HIS 89 0.666 -5.290 -19.919 700 HE2 HIS 89 HE2 HIS 89 1.093 -7.656 -20.677 701 H HIS 90 H HIS 90 6.244 -4.317 -19.094 702 HA HIS 90 HA HIS 90 6.055 -2.655 -20.586 703 HB2 HIS 90 2HB HIS 90 7.607 -2.677 -22.466 704 HB3 HIS 90 1HB HIS 90 8.358 -3.422 -21.065 705 HD1 HIS 90 HD1 HIS 90 9.180 -5.824 -21.333 706 HD2 HIS 90 HD2 HIS 90 7.041 -4.471 -24.635 707 HE1 HIS 90 HE1 HIS 90 9.532 -7.558 -23.125 708 HE2 HIS 90 HE2 HIS 90 8.318 -6.668 -25.144 709 H HIS 91 H HIS 91 5.827 -2.430 -23.369 710 HA HIS 91 HA HIS 91 3.902 -4.334 -24.397 711 HB2 HIS 91 2HB HIS 91 2.115 -2.720 -24.927 712 HB3 HIS 91 1HB HIS 91 2.382 -2.773 -23.193 713 HD1 HIS 91 HD1 HIS 91 2.697 -0.524 -26.164 714 HD2 HIS 91 HD2 HIS 91 3.319 -0.366 -22.056 715 HE1 HIS 91 HE1 HIS 91 3.000 1.907 -25.623 716 HE2 HIS 91 HE2 HIS 91 3.489 1.974 -23.155 Start of MODEL 10 1 H1 MET 1 1H MET 1 13.502 1.879 -4.090 2 H2 MET 1 2H MET 1 13.121 2.061 -2.461 3 H3 MET 1 3H MET 1 13.088 3.402 -3.484 4 HA MET 1 HA MET 1 10.862 2.687 -3.025 5 HB2 MET 1 2HB MET 1 11.752 2.006 -5.869 6 HB3 MET 1 1HB MET 1 10.090 2.335 -5.385 7 HG2 MET 1 2HG MET 1 10.697 4.619 -4.761 8 HG3 MET 1 1HG MET 1 12.382 4.300 -5.168 9 HE1 MET 1 3HE MET 1 12.466 6.445 -6.731 10 HE2 MET 1 1HE MET 1 10.787 6.810 -6.307 11 HE3 MET 1 2HE MET 1 11.286 6.767 -7.998 12 H LYS 2 H LYS 2 11.810 0.797 -1.593 13 HA LYS 2 HA LYS 2 10.542 -1.713 -2.503 14 HB2 LYS 2 2HB LYS 2 13.335 -1.495 -1.289 15 HB3 LYS 2 1HB LYS 2 12.446 -3.009 -1.410 16 HG2 LYS 2 2HG LYS 2 12.407 -2.724 -3.893 17 HG3 LYS 2 1HG LYS 2 13.418 -1.294 -3.712 18 HD2 LYS 2 2HD LYS 2 14.266 -4.042 -2.716 19 HD3 LYS 2 1HD LYS 2 14.599 -3.476 -4.351 20 HE2 LYS 2 2HE LYS 2 16.574 -3.098 -3.037 21 HE3 LYS 2 1HE LYS 2 15.838 -1.528 -3.350 22 HZ1 LYS 2 3HZ LYS 2 15.534 -3.068 -0.828 23 HZ2 LYS 2 1HZ LYS 2 14.953 -1.507 -1.136 24 HZ3 LYS 2 2HZ LYS 2 16.614 -1.788 -1.066 25 H ILE 3 H ILE 3 10.659 -3.298 -0.397 26 HA ILE 3 HA ILE 3 9.510 -1.819 1.876 27 HB ILE 3 HB ILE 3 9.794 -4.850 1.595 28 HG12 ILE 3 2HG1 ILE 3 7.347 -3.158 0.875 29 HG13 ILE 3 1HG1 ILE 3 8.425 -3.904 -0.296 30 HG21 ILE 3 1HG2 ILE 3 7.995 -3.170 3.397 31 HG22 ILE 3 2HG2 ILE 3 9.439 -4.047 3.907 32 HG23 ILE 3 3HG2 ILE 3 8.028 -4.936 3.333 33 HD11 ILE 3 3HD1 ILE 3 7.763 -6.123 0.520 34 HD12 ILE 3 1HD1 ILE 3 6.388 -5.178 -0.050 35 HD13 ILE 3 2HD1 ILE 3 6.672 -5.360 1.680 36 H ILE 4 H ILE 4 11.294 -0.839 2.802 37 HA ILE 4 HA ILE 4 13.673 -2.380 3.552 38 HB ILE 4 HB ILE 4 13.020 0.585 3.898 39 HG12 ILE 4 2HG1 ILE 4 13.288 -0.044 1.531 40 HG13 ILE 4 1HG1 ILE 4 14.647 0.945 2.050 41 HG21 ILE 4 1HG2 ILE 4 15.422 0.922 4.433 42 HG22 ILE 4 2HG2 ILE 4 15.661 -0.827 4.441 43 HG23 ILE 4 3HG2 ILE 4 14.606 -0.075 5.639 44 HD11 ILE 4 3HD1 ILE 4 14.675 -2.060 1.726 45 HD12 ILE 4 1HD1 ILE 4 16.040 -1.064 2.237 46 HD13 ILE 4 2HD1 ILE 4 15.371 -0.881 0.616 47 H SER 5 H SER 5 11.023 -0.599 5.084 48 HA SER 5 HA SER 5 11.187 -2.304 7.462 49 HB2 SER 5 2HB SER 5 11.040 0.748 7.620 50 HB3 SER 5 1HB SER 5 10.923 -0.364 8.990 51 HG SER 5 HG SER 5 13.104 -1.116 7.998 52 H ILE 6 H ILE 6 9.147 -2.336 8.643 53 HA ILE 6 HA ILE 6 6.806 -1.671 6.970 54 HB ILE 6 HB ILE 6 7.173 -3.967 8.925 55 HG12 ILE 6 2HG1 ILE 6 6.862 -3.927 5.886 56 HG13 ILE 6 1HG1 ILE 6 8.325 -4.331 6.774 57 HG21 ILE 6 1HG2 ILE 6 4.904 -4.726 8.279 58 HG22 ILE 6 2HG2 ILE 6 4.683 -3.261 7.322 59 HG23 ILE 6 3HG2 ILE 6 4.860 -3.153 9.075 60 HD11 ILE 6 3HD1 ILE 6 7.198 -6.330 7.665 61 HD12 ILE 6 1HD1 ILE 6 7.290 -6.311 5.903 62 HD13 ILE 6 2HD1 ILE 6 5.771 -5.923 6.707 63 H SER 7 H SER 7 7.195 -2.508 10.364 64 HA SER 7 HA SER 7 6.335 -1.735 12.300 65 HB2 SER 7 2HB SER 7 7.940 0.131 11.895 66 HB3 SER 7 1HB SER 7 6.682 1.024 11.039 67 HG SER 7 HG SER 7 7.046 0.597 13.759 68 H GLU 8 H GLU 8 4.344 -2.711 11.977 69 HA GLU 8 HA GLU 8 2.120 -1.292 10.783 70 HB2 GLU 8 2HB GLU 8 0.881 -3.335 11.055 71 HB3 GLU 8 1HB GLU 8 2.473 -3.782 10.494 72 HG2 GLU 8 2HG GLU 8 1.565 -3.969 13.382 73 HG3 GLU 8 1HG GLU 8 1.500 -5.304 12.242 74 H THR 9 H THR 9 0.011 -1.969 12.310 75 HA THR 9 HA THR 9 0.382 -0.723 14.948 76 HB THR 9 HB THR 9 -2.056 -0.135 14.769 77 HG1 THR 9 HG1 THR 9 -3.207 -0.580 12.993 78 HG21 THR 9 3HG2 THR 9 -0.407 0.963 12.462 79 HG22 THR 9 1HG2 THR 9 -0.375 1.564 14.122 80 HG23 THR 9 2HG2 THR 9 -1.845 1.713 13.159 81 HA PRO 10 HA PRO 10 -0.630 -4.694 16.715 82 HB2 PRO 10 2HB PRO 10 -2.445 -3.299 18.674 83 HB3 PRO 10 1HB PRO 10 -1.040 -4.341 18.986 84 HG2 PRO 10 2HG PRO 10 -0.889 -1.700 19.320 85 HG3 PRO 10 1HG PRO 10 0.487 -2.628 18.680 86 HD2 PRO 10 2HD PRO 10 -1.457 -0.875 17.190 87 HD3 PRO 10 1HD PRO 10 0.290 -1.088 16.954 88 H ASN 11 H ASN 11 -3.404 -2.563 16.137 89 HA ASN 11 HA ASN 11 -5.372 -4.680 15.990 90 HB2 ASN 11 2HB ASN 11 -6.907 -2.872 15.261 91 HB3 ASN 11 1HB ASN 11 -6.055 -2.443 16.731 92 HD21 ASN 11 1HD2 ASN 11 -7.368 -0.740 14.717 93 HD22 ASN 11 2HD2 ASN 11 -6.164 0.376 14.181 94 H HIS 12 H HIS 12 -3.031 -3.420 13.890 95 HA HIS 12 HA HIS 12 -2.278 -4.001 11.869 96 HB2 HIS 12 2HB HIS 12 -4.284 -6.276 12.141 97 HB3 HIS 12 1HB HIS 12 -3.104 -6.163 10.836 98 HD1 HIS 12 HD1 HIS 12 -3.512 -7.665 14.057 99 HD2 HIS 12 HD2 HIS 12 -0.321 -6.015 11.972 100 HE1 HIS 12 HE1 HIS 12 -1.452 -8.578 15.161 101 HE2 HIS 12 HE2 HIS 12 0.450 -7.715 13.755 102 H ASN 13 H ASN 13 -4.492 -2.066 12.083 103 HA ASN 13 HA ASN 13 -6.031 -2.379 9.651 104 HB2 ASN 13 2HB ASN 13 -5.670 -0.009 11.520 105 HB3 ASN 13 1HB ASN 13 -6.665 0.058 10.067 106 HD21 ASN 13 1HD2 ASN 13 -8.544 0.452 11.306 107 HD22 ASN 13 2HD2 ASN 13 -9.298 -0.782 12.250 108 H THR 14 H THR 14 -3.195 -0.361 10.608 109 HA THR 14 HA THR 14 -2.530 -0.142 7.728 110 HB THR 14 HB THR 14 -3.397 2.056 8.375 111 HG1 THR 14 HG1 THR 14 -1.414 1.791 7.021 112 HG21 THR 14 3HG2 THR 14 -2.271 3.467 10.070 113 HG22 THR 14 1HG2 THR 14 -1.212 2.119 10.502 114 HG23 THR 14 2HG2 THR 14 -2.945 2.017 10.813 115 H MET 15 H MET 15 -0.488 -0.498 7.157 116 HA MET 15 HA MET 15 1.694 -0.351 9.140 117 HB2 MET 15 2HB MET 15 2.865 -2.208 8.048 118 HB3 MET 15 1HB MET 15 1.297 -2.743 8.622 119 HG2 MET 15 2HG MET 15 0.419 -2.844 6.400 120 HG3 MET 15 1HG MET 15 1.811 -1.987 5.741 121 HE1 MET 15 3HE MET 15 0.758 -5.308 7.667 122 HE2 MET 15 1HE MET 15 2.233 -4.824 8.504 123 HE3 MET 15 2HE MET 15 2.226 -6.269 7.494 124 H LYS 16 H LYS 16 3.650 0.441 8.307 125 HA LYS 16 HA LYS 16 3.353 2.187 5.953 126 HB2 LYS 16 2HB LYS 16 5.494 2.118 8.132 127 HB3 LYS 16 1HB LYS 16 5.350 3.340 6.870 128 HG2 LYS 16 2HG LYS 16 3.241 4.128 7.800 129 HG3 LYS 16 1HG LYS 16 3.246 2.832 9.003 130 HD2 LYS 16 2HD LYS 16 5.239 3.785 10.076 131 HD3 LYS 16 1HD LYS 16 5.357 5.023 8.819 132 HE2 LYS 16 2HE LYS 16 4.373 5.941 10.866 133 HE3 LYS 16 1HE LYS 16 3.202 5.975 9.547 134 HZ1 LYS 16 3HZ LYS 16 3.313 3.975 11.740 135 HZ2 LYS 16 1HZ LYS 16 2.204 3.961 10.468 136 HZ3 LYS 16 2HZ LYS 16 2.186 5.223 11.588 137 H ILE 17 H ILE 17 5.109 2.279 4.365 138 HA ILE 17 HA ILE 17 6.929 -0.061 4.277 139 HB ILE 17 HB ILE 17 5.297 1.002 1.911 140 HG12 ILE 17 2HG1 ILE 17 5.224 -1.758 3.225 141 HG13 ILE 17 1HG1 ILE 17 4.031 -0.496 3.483 142 HG21 ILE 17 1HG2 ILE 17 7.413 -1.197 1.899 143 HG22 ILE 17 2HG2 ILE 17 7.572 0.400 1.165 144 HG23 ILE 17 3HG2 ILE 17 6.393 -0.745 0.529 145 HD11 ILE 17 3HD1 ILE 17 3.438 -0.614 1.094 146 HD12 ILE 17 1HD1 ILE 17 3.193 -2.137 1.948 147 HD13 ILE 17 2HD1 ILE 17 4.593 -1.934 0.900 148 H THR 18 H THR 18 8.639 1.145 4.945 149 HA THR 18 HA THR 18 9.499 3.658 4.017 150 HB THR 18 HB THR 18 11.119 1.327 5.151 151 HG1 THR 18 HG1 THR 18 9.381 2.845 6.282 152 HG21 THR 18 3HG2 THR 18 12.880 2.985 5.693 153 HG22 THR 18 1HG2 THR 18 11.993 4.232 4.827 154 HG23 THR 18 2HG2 THR 18 12.659 2.853 3.945 155 H LEU 19 H LEU 19 9.852 4.154 1.935 156 HA LEU 19 HA LEU 19 10.592 2.165 -0.045 157 HB2 LEU 19 2HB LEU 19 10.137 5.167 -0.277 158 HB3 LEU 19 1HB LEU 19 10.482 4.112 -1.642 159 HG LEU 19 HG LEU 19 7.988 4.080 0.099 160 HD11 LEU 19 1HD1 LEU 19 6.814 4.648 -1.984 161 HD12 LEU 19 2HD1 LEU 19 8.349 4.695 -2.854 162 HD13 LEU 19 3HD1 LEU 19 8.019 5.866 -1.573 163 HD21 LEU 19 3HD2 LEU 19 8.536 1.753 -0.414 164 HD22 LEU 19 1HD2 LEU 19 8.703 2.137 -2.132 165 HD23 LEU 19 2HD2 LEU 19 7.130 2.266 -1.341 166 H SER 20 H SER 20 12.138 4.673 1.735 167 HA SER 20 HA SER 20 14.284 4.709 2.480 168 HB2 SER 20 2HB SER 20 16.235 3.723 1.467 169 HB3 SER 20 1HB SER 20 14.940 2.526 1.380 170 HG SER 20 HG SER 20 14.837 3.929 -0.860 171 H GLU 21 H GLU 21 12.874 6.172 -0.152 172 HA GLU 21 HA GLU 21 15.088 8.006 -0.732 173 HB2 GLU 21 2HB GLU 21 12.249 7.859 -1.850 174 HB3 GLU 21 1HB GLU 21 13.408 9.098 -2.312 175 HG2 GLU 21 2HG GLU 21 13.319 7.413 -4.035 176 HG3 GLU 21 1HG GLU 21 14.895 7.332 -3.247 177 H SER 22 H SER 22 14.899 8.461 1.775 178 HA SER 22 HA SER 22 12.809 10.091 2.785 179 HB2 SER 22 2HB SER 22 15.669 9.748 3.759 180 HB3 SER 22 1HB SER 22 14.417 10.614 4.652 181 HG SER 22 HG SER 22 13.191 8.574 4.435 182 H ARG 23 H ARG 23 12.450 11.644 1.208 183 HA ARG 23 HA ARG 23 14.461 13.788 0.845 184 HB2 ARG 23 2HB ARG 23 13.393 12.518 -1.153 185 HB3 ARG 23 1HB ARG 23 11.902 13.362 -0.760 186 HG2 ARG 23 2HG ARG 23 12.945 15.518 -1.238 187 HG3 ARG 23 1HG ARG 23 14.512 14.736 -1.485 188 HD2 ARG 23 2HD ARG 23 12.024 14.341 -3.193 189 HD3 ARG 23 1HD ARG 23 13.475 15.238 -3.645 190 HE ARG 23 HE ARG 23 14.445 12.772 -3.072 191 HH11 ARG 23 1HH1 ARG 23 11.890 13.835 -5.251 192 HH12 ARG 23 2HH1 ARG 23 12.129 12.518 -6.351 193 HH21 ARG 23 1HH2 ARG 23 14.719 11.052 -4.537 194 HH22 ARG 23 2HH2 ARG 23 13.715 10.962 -5.948 195 H GLU 24 H GLU 24 12.106 13.024 2.920 196 HA GLU 24 HA GLU 24 10.870 14.039 4.470 197 HB2 GLU 24 2HB GLU 24 12.398 16.503 3.574 198 HB3 GLU 24 1HB GLU 24 11.217 16.563 4.877 199 HG2 GLU 24 2HG GLU 24 13.494 16.397 5.753 200 HG3 GLU 24 1HG GLU 24 12.533 14.988 6.192 201 H GLY 25 H GLY 25 10.802 16.589 1.984 202 HA2 GLY 25 2HA GLY 25 7.876 16.591 1.904 203 HA3 GLY 25 1HA GLY 25 8.966 17.686 1.067 204 H MET 26 H MET 26 8.554 14.120 1.063 205 HA MET 26 HA MET 26 8.509 14.080 -1.897 206 HB2 MET 26 2HB MET 26 10.000 12.500 -0.575 207 HB3 MET 26 1HB MET 26 8.557 11.734 0.066 208 HG2 MET 26 2HG MET 26 7.924 11.133 -2.305 209 HG3 MET 26 1HG MET 26 9.495 11.756 -2.818 210 HE1 MET 26 3HE MET 26 9.916 7.819 -3.087 211 HE2 MET 26 1HE MET 26 10.056 9.347 -3.960 212 HE3 MET 26 2HE MET 26 8.472 8.767 -3.442 213 H THR 27 H THR 27 6.407 15.358 -0.897 214 HA THR 27 HA THR 27 4.202 15.652 -0.979 215 HB THR 27 HB THR 27 3.818 12.858 -2.128 216 HG1 THR 27 HG1 THR 27 4.997 13.471 -3.763 217 HG21 THR 27 3HG2 THR 27 2.331 15.462 -2.643 218 HG22 THR 27 1HG2 THR 27 1.753 14.144 -1.619 219 HG23 THR 27 2HG2 THR 27 1.953 13.891 -3.354 220 H SER 28 H SER 28 2.236 15.163 0.118 221 HA SER 28 HA SER 28 2.187 12.969 2.079 222 HB2 SER 28 2HB SER 28 1.217 14.609 3.766 223 HB3 SER 28 1HB SER 28 2.921 14.867 3.397 224 HG SER 28 HG SER 28 1.062 16.266 1.858 225 H ASP 29 H ASP 29 0.761 11.939 0.603 226 HA ASP 29 HA ASP 29 -1.779 13.324 -0.085 227 HB2 ASP 29 2HB ASP 29 0.033 13.163 -1.928 228 HB3 ASP 29 1HB ASP 29 -0.284 11.443 -1.960 229 H THR 30 H THR 30 -3.605 12.099 -0.174 230 HA THR 30 HA THR 30 -3.502 9.353 0.903 231 HB THR 30 HB THR 30 -4.941 10.886 2.169 232 HG1 THR 30 HG1 THR 30 -6.717 9.196 0.714 233 HG21 THR 30 3HG2 THR 30 -7.000 11.850 1.179 234 HG22 THR 30 1HG2 THR 30 -6.508 11.272 -0.409 235 HG23 THR 30 2HG2 THR 30 -5.545 12.502 0.418 236 H TYR 31 H TYR 31 -4.664 7.715 -0.079 237 HA TYR 31 HA TYR 31 -5.667 8.011 -2.823 238 HB2 TYR 31 2HB TYR 31 -3.580 5.928 -2.007 239 HB3 TYR 31 1HB TYR 31 -4.331 6.077 -3.593 240 HD1 TYR 31 HD1 TYR 31 -4.011 8.516 -4.706 241 HD2 TYR 31 HD2 TYR 31 -1.411 6.825 -1.772 242 HE1 TYR 31 HE1 TYR 31 -2.200 9.986 -5.453 243 HE2 TYR 31 HE2 TYR 31 0.401 8.294 -2.531 244 HH TYR 31 HH TYR 31 -0.143 10.950 -4.567 245 H THR 32 H THR 32 -7.680 7.164 -2.667 246 HA THR 32 HA THR 32 -8.168 4.666 -1.146 247 HB THR 32 HB THR 32 -10.372 5.622 -0.334 248 HG1 THR 32 HG1 THR 32 -9.325 7.925 -1.581 249 HG21 THR 32 3HG2 THR 32 -8.455 5.579 1.220 250 HG22 THR 32 1HG2 THR 32 -9.483 6.983 1.502 251 HG23 THR 32 2HG2 THR 32 -7.950 7.173 0.649 252 H LYS 33 H LYS 33 -9.181 6.956 -3.627 253 HA LYS 33 HA LYS 33 -11.411 5.203 -4.478 254 HB2 LYS 33 2HB LYS 33 -12.402 7.324 -5.368 255 HB3 LYS 33 1HB LYS 33 -12.134 7.368 -3.629 256 HG2 LYS 33 2HG LYS 33 -10.035 8.671 -4.012 257 HG3 LYS 33 1HG LYS 33 -10.389 8.682 -5.741 258 HD2 LYS 33 2HD LYS 33 -12.458 9.958 -5.328 259 HD3 LYS 33 1HD LYS 33 -12.164 9.899 -3.587 260 HE2 LYS 33 2HE LYS 33 -10.072 11.206 -3.917 261 HE3 LYS 33 1HE LYS 33 -10.414 11.293 -5.647 262 HZ1 LYS 33 3HZ LYS 33 -12.170 12.385 -3.513 263 HZ2 LYS 33 1HZ LYS 33 -12.408 12.536 -5.181 264 HZ3 LYS 33 2HZ LYS 33 -11.090 13.292 -4.442 265 H VAL 34 H VAL 34 -8.699 4.770 -5.386 266 HA VAL 34 HA VAL 34 -7.356 4.479 -7.195 267 HB VAL 34 HB VAL 34 -10.032 4.415 -8.677 268 HG11 VAL 34 1HG1 VAL 34 -8.182 4.633 -10.292 269 HG12 VAL 34 2HG1 VAL 34 -8.890 3.020 -10.384 270 HG13 VAL 34 3HG1 VAL 34 -7.351 3.261 -9.555 271 HG21 VAL 34 3HG2 VAL 34 -9.931 1.961 -8.349 272 HG22 VAL 34 1HG2 VAL 34 -9.962 2.821 -6.808 273 HG23 VAL 34 2HG2 VAL 34 -8.446 2.144 -7.412 274 H ASP 35 H ASP 35 -6.734 6.654 -6.593 275 HA ASP 35 HA ASP 35 -7.772 8.997 -7.859 276 HB2 ASP 35 2HB ASP 35 -5.264 8.597 -6.164 277 HB3 ASP 35 1HB ASP 35 -5.939 10.159 -6.618 278 H ASP 36 H ASP 36 -7.046 10.074 -9.646 279 HA ASP 36 HA ASP 36 -4.979 8.956 -11.335 280 HB2 ASP 36 2HB ASP 36 -6.981 9.958 -12.351 281 HB3 ASP 36 1HB ASP 36 -6.643 11.502 -11.589 282 H SER 37 H SER 37 -3.071 9.070 -10.205 283 HA SER 37 HA SER 37 -1.420 11.334 -10.367 284 HB2 SER 37 2HB SER 37 -1.114 11.698 -7.830 285 HB3 SER 37 1HB SER 37 -2.617 12.323 -8.512 286 HG SER 37 HG SER 37 -3.586 11.121 -7.091 287 H GLN 38 H GLN 38 -1.944 8.752 -8.000 288 HA GLN 38 HA GLN 38 0.633 7.722 -7.786 289 HB2 GLN 38 2HB GLN 38 -0.550 5.694 -6.832 290 HB3 GLN 38 1HB GLN 38 -1.099 7.218 -6.141 291 HG2 GLN 38 2HG GLN 38 -3.017 7.185 -7.760 292 HG3 GLN 38 1HG GLN 38 -2.514 5.570 -8.248 293 HE21 GLN 38 1HE2 GLN 38 -4.985 6.575 -7.045 294 HE22 GLN 38 2HE2 GLN 38 -5.234 5.649 -5.614 295 HA PRO 39 HA PRO 39 1.361 5.042 -11.476 296 HB2 PRO 39 2HB PRO 39 2.262 3.100 -9.320 297 HB3 PRO 39 1HB PRO 39 3.070 3.555 -10.838 298 HG2 PRO 39 2HG PRO 39 3.911 4.545 -8.526 299 HG3 PRO 39 1HG PRO 39 3.868 5.561 -9.985 300 HD2 PRO 39 2HD PRO 39 2.030 5.587 -7.615 301 HD3 PRO 39 1HD PRO 39 2.564 6.925 -8.653 302 H ALA 40 H ALA 40 0.350 3.252 -12.456 303 HA ALA 40 HA ALA 40 -2.256 2.587 -11.752 304 HB1 ALA 40 3HB ALA 40 -2.120 0.833 -13.479 305 HB2 ALA 40 1HB ALA 40 -0.357 0.956 -13.476 306 HB3 ALA 40 2HB ALA 40 -1.335 2.316 -14.025 307 H PHE 41 H PHE 41 0.738 0.963 -11.002 308 HA PHE 41 HA PHE 41 -0.057 -1.472 -9.926 309 HB2 PHE 41 2HB PHE 41 2.272 0.275 -9.025 310 HB3 PHE 41 1HB PHE 41 2.123 -1.457 -8.759 311 HD1 PHE 41 HD1 PHE 41 2.383 -3.045 -10.667 312 HD2 PHE 41 HD2 PHE 41 2.992 1.155 -11.190 313 HE1 PHE 41 HE1 PHE 41 3.531 -3.469 -12.797 314 HE2 PHE 41 HE2 PHE 41 4.142 0.718 -13.318 315 HZ PHE 41 HZ PHE 41 4.409 -1.593 -14.129 316 H ILE 42 H ILE 42 0.148 1.709 -8.379 317 HA ILE 42 HA ILE 42 -0.422 0.784 -5.706 318 HB ILE 42 HB ILE 42 -0.570 3.668 -6.706 319 HG12 ILE 42 2HG1 ILE 42 1.637 2.660 -7.328 320 HG13 ILE 42 1HG1 ILE 42 1.810 3.930 -6.124 321 HG21 ILE 42 1HG2 ILE 42 -0.014 4.253 -4.357 322 HG22 ILE 42 2HG2 ILE 42 -0.033 2.541 -3.923 323 HG23 ILE 42 3HG2 ILE 42 -1.515 3.332 -4.459 324 HD11 ILE 42 3HD1 ILE 42 3.266 2.030 -5.658 325 HD12 ILE 42 1HD1 ILE 42 1.864 0.964 -5.572 326 HD13 ILE 42 2HD1 ILE 42 2.076 2.243 -4.374 327 H ASN 43 H ASN 43 -2.294 1.957 -8.442 328 HA ASN 43 HA ASN 43 -4.781 2.348 -7.054 329 HB2 ASN 43 2HB ASN 43 -4.168 1.876 -10.005 330 HB3 ASN 43 1HB ASN 43 -5.778 2.207 -9.386 331 HD21 ASN 43 1HD2 ASN 43 -2.708 3.574 -10.172 332 HD22 ASN 43 2HD2 ASN 43 -3.146 5.219 -9.904 333 H ASP 44 H ASP 44 -3.179 -0.359 -8.676 334 HA ASP 44 HA ASP 44 -5.304 -2.229 -8.545 335 HB2 ASP 44 2HB ASP 44 -2.290 -2.598 -8.717 336 HB3 ASP 44 1HB ASP 44 -3.392 -3.972 -8.657 337 H ILE 45 H ILE 45 -2.795 -1.302 -6.233 338 HA ILE 45 HA ILE 45 -3.302 -3.232 -4.238 339 HB ILE 45 HB ILE 45 -2.406 -0.342 -3.790 340 HG12 ILE 45 2HG1 ILE 45 -0.686 -2.854 -4.072 341 HG13 ILE 45 1HG1 ILE 45 -0.899 -1.641 -5.327 342 HG21 ILE 45 1HG2 ILE 45 -1.471 -1.149 -1.630 343 HG22 ILE 45 2HG2 ILE 45 -2.176 -2.740 -1.922 344 HG23 ILE 45 3HG2 ILE 45 -3.224 -1.341 -1.696 345 HD11 ILE 45 3HD1 ILE 45 1.219 -1.360 -4.211 346 HD12 ILE 45 1HD1 ILE 45 0.418 -1.216 -2.647 347 HD13 ILE 45 2HD1 ILE 45 0.182 0.027 -3.880 348 H LEU 46 H LEU 46 -4.737 0.011 -4.722 349 HA LEU 46 HA LEU 46 -6.695 -0.108 -2.693 350 HB2 LEU 46 2HB LEU 46 -6.721 1.321 -5.369 351 HB3 LEU 46 1HB LEU 46 -7.948 1.566 -4.135 352 HG LEU 46 HG LEU 46 -4.987 2.178 -3.787 353 HD11 LEU 46 1HD1 LEU 46 -7.307 4.088 -4.213 354 HD12 LEU 46 2HD1 LEU 46 -6.022 3.726 -5.371 355 HD13 LEU 46 3HD1 LEU 46 -5.637 4.539 -3.857 356 HD21 LEU 46 3HD2 LEU 46 -7.325 2.742 -1.920 357 HD22 LEU 46 1HD2 LEU 46 -5.656 3.267 -1.677 358 HD23 LEU 46 2HD2 LEU 46 -6.047 1.551 -1.656 359 H LYS 47 H LYS 47 -6.712 -1.406 -5.975 360 HA LYS 47 HA LYS 47 -9.478 -2.226 -5.953 361 HB2 LYS 47 2HB LYS 47 -7.180 -2.927 -7.828 362 HB3 LYS 47 1HB LYS 47 -8.845 -3.458 -8.073 363 HG2 LYS 47 2HG LYS 47 -9.591 -1.126 -8.273 364 HG3 LYS 47 1HG LYS 47 -7.950 -0.558 -7.953 365 HD2 LYS 47 2HD LYS 47 -7.169 -1.629 -10.051 366 HD3 LYS 47 1HD LYS 47 -8.812 -2.205 -10.367 367 HE2 LYS 47 2HE LYS 47 -9.603 0.155 -10.456 368 HE3 LYS 47 1HE LYS 47 -7.949 0.706 -10.184 369 HZ1 LYS 47 3HZ LYS 47 -8.911 -0.846 -12.527 370 HZ2 LYS 47 1HZ LYS 47 -7.311 -0.359 -12.272 371 HZ3 LYS 47 2HZ LYS 47 -8.521 0.797 -12.508 372 H VAL 48 H VAL 48 -6.579 -3.587 -4.633 373 HA VAL 48 HA VAL 48 -7.446 -6.308 -4.410 374 HB VAL 48 HB VAL 48 -5.585 -4.706 -2.575 375 HG11 VAL 48 1HG1 VAL 48 -6.499 -6.593 -1.308 376 HG12 VAL 48 2HG1 VAL 48 -4.795 -6.877 -1.662 377 HG13 VAL 48 3HG1 VAL 48 -6.040 -7.716 -2.592 378 HG21 VAL 48 3HG2 VAL 48 -4.670 -4.936 -4.836 379 HG22 VAL 48 1HG2 VAL 48 -4.902 -6.685 -4.781 380 HG23 VAL 48 2HG2 VAL 48 -3.737 -5.912 -3.702 381 H GLU 49 H GLU 49 -9.366 -6.807 -3.516 382 HA GLU 49 HA GLU 49 -10.951 -5.125 -1.939 383 HB2 GLU 49 2HB GLU 49 -11.120 -8.149 -2.270 384 HB3 GLU 49 1HB GLU 49 -12.387 -7.139 -1.578 385 HG2 GLU 49 2HG GLU 49 -12.550 -5.921 -3.740 386 HG3 GLU 49 1HG GLU 49 -11.356 -7.020 -4.427 387 H GLY 50 H GLY 50 -10.361 -4.396 -0.025 388 HA2 GLY 50 2HA GLY 50 -10.349 -5.407 2.406 389 HA3 GLY 50 1HA GLY 50 -8.790 -6.021 1.858 390 H VAL 51 H VAL 51 -7.919 -3.943 0.284 391 HA VAL 51 HA VAL 51 -6.842 -2.112 2.206 392 HB VAL 51 HB VAL 51 -6.642 -2.018 -0.841 393 HG11 VAL 51 1HG1 VAL 51 -4.912 -0.625 1.251 394 HG12 VAL 51 2HG1 VAL 51 -6.057 0.160 0.161 395 HG13 VAL 51 3HG1 VAL 51 -4.621 -0.625 -0.494 396 HG21 VAL 51 3HG2 VAL 51 -5.789 -4.146 0.053 397 HG22 VAL 51 1HG2 VAL 51 -4.742 -3.276 1.180 398 HG23 VAL 51 2HG2 VAL 51 -4.464 -3.155 -0.560 399 H LYS 52 H LYS 52 -7.640 -0.238 2.849 400 HA LYS 52 HA LYS 52 -10.098 0.811 1.601 401 HB2 LYS 52 2HB LYS 52 -10.402 -0.063 3.861 402 HB3 LYS 52 1HB LYS 52 -9.063 0.902 4.468 403 HG2 LYS 52 2HG LYS 52 -10.312 2.936 4.243 404 HG3 LYS 52 1HG LYS 52 -11.587 2.130 3.324 405 HD2 LYS 52 2HD LYS 52 -12.236 2.598 5.699 406 HD3 LYS 52 1HD LYS 52 -12.306 0.884 5.290 407 HE2 LYS 52 2HE LYS 52 -11.340 1.220 7.509 408 HE3 LYS 52 1HE LYS 52 -10.146 0.525 6.413 409 HZ1 LYS 52 3HZ LYS 52 -10.338 3.381 7.173 410 HZ2 LYS 52 1HZ LYS 52 -9.179 2.708 6.145 411 HZ3 LYS 52 2HZ LYS 52 -9.217 2.273 7.772 412 H SER 53 H SER 53 -6.860 1.671 2.693 413 HA SER 53 HA SER 53 -7.014 4.234 1.325 414 HB2 SER 53 2HB SER 53 -7.883 4.769 3.612 415 HB3 SER 53 1HB SER 53 -6.397 4.137 4.319 416 HG SER 53 HG SER 53 -6.794 6.572 3.634 417 H ILE 54 H ILE 54 -4.945 5.285 1.173 418 HA ILE 54 HA ILE 54 -2.481 3.908 1.972 419 HB ILE 54 HB ILE 54 -3.185 4.548 -0.948 420 HG12 ILE 54 2HG1 ILE 54 -2.174 1.938 0.266 421 HG13 ILE 54 1HG1 ILE 54 -3.847 2.269 -0.163 422 HG21 ILE 54 1HG2 ILE 54 -0.417 3.906 0.131 423 HG22 ILE 54 2HG2 ILE 54 -0.945 5.447 -0.548 424 HG23 ILE 54 3HG2 ILE 54 -0.846 4.021 -1.577 425 HD11 ILE 54 3HD1 ILE 54 -2.844 0.916 -1.849 426 HD12 ILE 54 1HD1 ILE 54 -1.509 2.048 -2.048 427 HD13 ILE 54 2HD1 ILE 54 -3.143 2.514 -2.528 428 H PHE 55 H PHE 55 -1.378 5.549 2.977 429 HA PHE 55 HA PHE 55 -1.601 8.314 1.909 430 HB2 PHE 55 2HB PHE 55 -2.734 8.046 4.106 431 HB3 PHE 55 1HB PHE 55 -1.237 7.447 4.817 432 HD1 PHE 55 HD1 PHE 55 -2.424 10.430 2.840 433 HD2 PHE 55 HD2 PHE 55 -0.011 9.017 6.066 434 HE1 PHE 55 HE1 PHE 55 -1.802 12.738 3.387 435 HE2 PHE 55 HE2 PHE 55 0.607 11.331 6.612 436 HZ PHE 55 HZ PHE 55 -0.287 13.197 5.276 437 H HIS 56 H HIS 56 0.240 8.806 0.870 438 HA HIS 56 HA HIS 56 2.819 7.624 1.724 439 HB2 HIS 56 2HB HIS 56 2.237 7.456 -0.678 440 HB3 HIS 56 1HB HIS 56 2.070 9.205 -0.781 441 HD1 HIS 56 HD1 HIS 56 4.010 10.030 -2.099 442 HD2 HIS 56 HD2 HIS 56 5.143 7.091 0.584 443 HE1 HIS 56 HE1 HIS 56 6.478 9.752 -2.432 444 HE2 HIS 56 HE2 HIS 56 7.160 8.000 -0.759 445 H VAL 57 H VAL 57 4.093 8.793 3.053 446 HA VAL 57 HA VAL 57 4.394 11.676 2.709 447 HB VAL 57 HB VAL 57 2.509 11.474 4.324 448 HG11 VAL 57 1HG1 VAL 57 3.062 9.320 5.320 449 HG12 VAL 57 2HG1 VAL 57 2.778 10.552 6.551 450 HG13 VAL 57 3HG1 VAL 57 4.428 10.060 6.159 451 HG21 VAL 57 3HG2 VAL 57 5.014 12.572 5.640 452 HG22 VAL 57 1HG2 VAL 57 3.354 12.972 6.093 453 HG23 VAL 57 2HG2 VAL 57 3.977 13.445 4.511 454 H MET 58 H MET 58 6.297 12.527 3.579 455 HA MET 58 HA MET 58 8.499 12.632 4.020 456 HB2 MET 58 2HB MET 58 8.035 11.623 6.212 457 HB3 MET 58 1HB MET 58 8.111 10.008 5.520 458 HG2 MET 58 2HG MET 58 10.504 10.346 5.017 459 HG3 MET 58 1HG MET 58 10.412 11.968 5.710 460 HE1 MET 58 3HE MET 58 12.540 9.740 6.602 461 HE2 MET 58 1HE MET 58 12.501 9.872 8.358 462 HE3 MET 58 2HE MET 58 12.499 11.331 7.365 463 H ASP 59 H ASP 59 8.158 9.135 3.653 464 HA ASP 59 HA ASP 59 8.810 9.122 0.857 465 HB2 ASP 59 2HB ASP 59 10.766 7.678 0.952 466 HB3 ASP 59 1HB ASP 59 11.106 9.144 1.855 467 H PHE 60 H PHE 60 7.667 7.610 3.771 468 HA PHE 60 HA PHE 60 7.543 4.934 2.677 469 HB2 PHE 60 2HB PHE 60 6.585 4.297 4.887 470 HB3 PHE 60 1HB PHE 60 8.122 5.133 5.029 471 HD1 PHE 60 HD1 PHE 60 4.464 5.442 5.558 472 HD2 PHE 60 HD2 PHE 60 8.279 7.258 6.191 473 HE1 PHE 60 HE1 PHE 60 3.446 7.039 7.117 474 HE2 PHE 60 HE2 PHE 60 7.257 8.851 7.755 475 HZ PHE 60 HZ PHE 60 4.830 8.763 8.197 476 H ILE 61 H ILE 61 5.749 3.829 2.056 477 HA ILE 61 HA ILE 61 3.235 5.281 1.626 478 HB ILE 61 HB ILE 61 4.129 2.499 0.711 479 HG12 ILE 61 2HG1 ILE 61 3.888 5.110 -0.865 480 HG13 ILE 61 1HG1 ILE 61 5.388 4.300 -0.430 481 HG21 ILE 61 1HG2 ILE 61 1.614 4.024 -0.062 482 HG22 ILE 61 2HG2 ILE 61 1.681 2.604 0.979 483 HG23 ILE 61 3HG2 ILE 61 2.124 2.466 -0.722 484 HD11 ILE 61 3HD1 ILE 61 4.848 3.927 -2.753 485 HD12 ILE 61 1HD1 ILE 61 3.280 3.248 -2.317 486 HD13 ILE 61 2HD1 ILE 61 4.765 2.405 -1.866 487 H SER 62 H SER 62 2.107 5.343 3.528 488 HA SER 62 HA SER 62 1.988 3.072 5.341 489 HB2 SER 62 2HB SER 62 2.047 5.471 6.163 490 HB3 SER 62 1HB SER 62 0.426 5.691 5.505 491 HG SER 62 HG SER 62 -0.315 4.092 6.944 492 H VAL 63 H VAL 63 1.024 1.476 4.102 493 HA VAL 63 HA VAL 63 -1.482 1.851 2.708 494 HB VAL 63 HB VAL 63 -0.085 -0.783 3.422 495 HG11 VAL 63 1HG1 VAL 63 -1.403 -1.770 1.571 496 HG12 VAL 63 2HG1 VAL 63 -2.229 -0.228 1.331 497 HG13 VAL 63 3HG1 VAL 63 -2.443 -1.119 2.840 498 HG21 VAL 63 3HG2 VAL 63 0.169 0.820 0.841 499 HG22 VAL 63 1HG2 VAL 63 0.884 -0.767 1.151 500 HG23 VAL 63 2HG2 VAL 63 1.420 0.639 2.072 501 H ASP 64 H ASP 64 -3.426 1.682 3.586 502 HA ASP 64 HA ASP 64 -3.830 0.390 6.220 503 HB2 ASP 64 2HB ASP 64 -4.044 2.746 6.597 504 HB3 ASP 64 1HB ASP 64 -4.970 2.997 5.137 505 H LYS 65 H LYS 65 -5.769 -0.673 6.545 506 HA LYS 65 HA LYS 65 -7.549 -1.236 4.298 507 HB2 LYS 65 2HB LYS 65 -7.393 -3.658 4.665 508 HB3 LYS 65 1HB LYS 65 -5.817 -3.011 4.228 509 HG2 LYS 65 2HG LYS 65 -4.971 -3.259 6.435 510 HG3 LYS 65 1HG LYS 65 -6.578 -3.496 7.122 511 HD2 LYS 65 2HD LYS 65 -6.733 -5.637 5.780 512 HD3 LYS 65 1HD LYS 65 -5.035 -5.418 5.345 513 HE2 LYS 65 2HE LYS 65 -5.285 -6.971 7.240 514 HE3 LYS 65 1HE LYS 65 -4.407 -5.520 7.726 515 HZ1 LYS 65 3HZ LYS 65 -6.024 -6.121 9.390 516 HZ2 LYS 65 1HZ LYS 65 -7.282 -6.090 8.257 517 HZ3 LYS 65 2HZ LYS 65 -6.482 -4.662 8.675 518 H GLU 66 H GLU 66 -9.327 -2.804 5.226 519 HA GLU 66 HA GLU 66 -10.481 -1.620 7.588 520 HB2 GLU 66 2HB GLU 66 -11.376 -3.415 5.420 521 HB3 GLU 66 1HB GLU 66 -12.020 -3.900 6.977 522 HG2 GLU 66 2HG GLU 66 -12.329 -1.160 5.715 523 HG3 GLU 66 1HG GLU 66 -13.561 -2.419 5.782 524 H ASN 67 H ASN 67 -11.381 -3.058 9.314 525 HA ASN 67 HA ASN 67 -9.270 -4.292 10.752 526 HB2 ASN 67 2HB ASN 67 -12.278 -4.450 11.269 527 HB3 ASN 67 1HB ASN 67 -11.012 -4.868 12.421 528 HD21 ASN 67 1HD2 ASN 67 -11.843 -3.405 13.914 529 HD22 ASN 67 2HD2 ASN 67 -11.658 -1.694 13.736 530 H ASP 68 H ASP 68 -12.132 -5.533 9.065 531 HA ASP 68 HA ASP 68 -11.950 -8.217 9.928 532 HB2 ASP 68 2HB ASP 68 -13.669 -8.699 8.246 533 HB3 ASP 68 1HB ASP 68 -14.055 -7.233 9.136 534 H ALA 69 H ALA 69 -10.573 -6.572 7.155 535 HA ALA 69 HA ALA 69 -9.790 -8.842 5.622 536 HB1 ALA 69 3HB ALA 69 -10.036 -6.593 4.645 537 HB2 ALA 69 1HB ALA 69 -8.429 -7.252 4.337 538 HB3 ALA 69 2HB ALA 69 -8.656 -6.022 5.584 539 H ASN 70 H ASN 70 -7.527 -9.470 5.154 540 HA ASN 70 HA ASN 70 -5.737 -9.358 7.532 541 HB2 ASN 70 2HB ASN 70 -6.098 -11.645 5.531 542 HB3 ASN 70 1HB ASN 70 -4.863 -11.595 6.783 543 HD21 ASN 70 1HD2 ASN 70 -6.943 -13.587 6.393 544 HD22 ASN 70 2HD2 ASN 70 -7.872 -13.610 7.852 545 H TRP 71 H TRP 71 -3.563 -8.987 7.183 546 HA TRP 71 HA TRP 71 -2.661 -7.783 4.750 547 HB2 TRP 71 2HB TRP 71 -1.143 -8.733 7.210 548 HB3 TRP 71 1HB TRP 71 -0.360 -7.930 5.853 549 HD1 TRP 71 HD1 TRP 71 -1.628 -7.076 9.159 550 HE1 TRP 71 HE1 TRP 71 -2.118 -4.561 9.356 551 HE3 TRP 71 HE3 TRP 71 -1.612 -5.789 4.194 552 HZ2 TRP 71 HZ2 TRP 71 -2.435 -2.344 7.681 553 HZ3 TRP 71 HZ3 TRP 71 -2.028 -3.443 3.590 554 HH2 TRP 71 HH2 TRP 71 -2.436 -1.758 5.304 555 H GLU 72 H GLU 72 -2.883 -11.033 5.809 556 HA GLU 72 HA GLU 72 -0.924 -12.338 4.256 557 HB2 GLU 72 2HB GLU 72 -3.677 -13.339 5.105 558 HB3 GLU 72 1HB GLU 72 -2.346 -14.357 4.568 559 HG2 GLU 72 2HG GLU 72 -2.302 -12.612 7.052 560 HG3 GLU 72 1HG GLU 72 -2.638 -14.340 7.036 561 H THR 73 H THR 73 -3.984 -10.947 3.378 562 HA THR 73 HA THR 73 -4.105 -12.084 0.703 563 HB THR 73 HB THR 73 -5.705 -9.824 1.995 564 HG1 THR 73 HG1 THR 73 -6.206 -12.621 1.713 565 HG21 THR 73 3HG2 THR 73 -6.291 -11.399 -0.546 566 HG22 THR 73 1HG2 THR 73 -5.816 -9.701 -0.473 567 HG23 THR 73 2HG2 THR 73 -7.364 -10.214 0.203 568 H VAL 74 H VAL 74 -3.256 -9.035 2.260 569 HA VAL 74 HA VAL 74 -3.135 -7.469 -0.131 570 HB VAL 74 HB VAL 74 -2.178 -6.795 2.685 571 HG11 VAL 74 1HG1 VAL 74 -1.198 -5.261 1.039 572 HG12 VAL 74 2HG1 VAL 74 -2.426 -4.422 1.988 573 HG13 VAL 74 3HG1 VAL 74 -2.791 -4.948 0.344 574 HG21 VAL 74 3HG2 VAL 74 -4.563 -7.416 2.654 575 HG22 VAL 74 1HG2 VAL 74 -4.868 -6.237 1.374 576 HG23 VAL 74 2HG2 VAL 74 -4.367 -5.692 2.977 577 H LEU 75 H LEU 75 -0.592 -8.398 2.223 578 HA LEU 75 HA LEU 75 1.568 -7.136 1.093 579 HB2 LEU 75 2HB LEU 75 1.277 -9.330 3.085 580 HB3 LEU 75 1HB LEU 75 2.860 -9.233 2.337 581 HG LEU 75 HG LEU 75 2.723 -8.000 4.509 582 HD11 LEU 75 1HD1 LEU 75 3.259 -6.192 2.132 583 HD12 LEU 75 2HD1 LEU 75 4.397 -7.338 2.842 584 HD13 LEU 75 3HD1 LEU 75 3.847 -5.955 3.782 585 HD21 LEU 75 3HD2 LEU 75 0.384 -7.248 4.336 586 HD22 LEU 75 1HD2 LEU 75 0.837 -6.119 3.058 587 HD23 LEU 75 2HD2 LEU 75 1.480 -5.917 4.690 588 HA PRO 76 HA PRO 76 2.951 -11.238 -1.389 589 HB2 PRO 76 2HB PRO 76 0.167 -12.137 -2.164 590 HB3 PRO 76 1HB PRO 76 1.629 -13.111 -1.873 591 HG2 PRO 76 2HG PRO 76 -0.276 -13.049 -0.057 592 HG3 PRO 76 1HG PRO 76 1.429 -12.967 0.449 593 HD2 PRO 76 2HD PRO 76 -0.593 -10.734 0.264 594 HD3 PRO 76 1HD PRO 76 0.631 -11.044 1.515 595 H LYS 77 H LYS 77 0.062 -9.359 -2.165 596 HA LYS 77 HA LYS 77 0.547 -9.235 -5.034 597 HB2 LYS 77 2HB LYS 77 -1.428 -7.707 -3.278 598 HB3 LYS 77 1HB LYS 77 -1.458 -7.776 -5.040 599 HG2 LYS 77 2HG LYS 77 -1.942 -10.170 -4.984 600 HG3 LYS 77 1HG LYS 77 -1.808 -10.182 -3.222 601 HD2 LYS 77 2HD LYS 77 -3.767 -8.706 -3.036 602 HD3 LYS 77 1HD LYS 77 -3.877 -8.592 -4.795 603 HE2 LYS 77 2HE LYS 77 -5.540 -10.150 -3.885 604 HE3 LYS 77 1HE LYS 77 -4.393 -10.996 -4.926 605 HZ1 LYS 77 3HZ LYS 77 -4.425 -10.963 -1.962 606 HZ2 LYS 77 1HZ LYS 77 -3.204 -11.676 -2.888 607 HZ3 LYS 77 2HZ LYS 77 -4.780 -12.268 -2.970 608 H VAL 78 H VAL 78 0.865 -7.138 -2.231 609 HA VAL 78 HA VAL 78 1.537 -4.734 -3.658 610 HB VAL 78 HB VAL 78 1.658 -5.403 -0.682 611 HG11 VAL 78 1HG1 VAL 78 1.688 -2.960 -0.274 612 HG12 VAL 78 2HG1 VAL 78 1.839 -2.671 -2.010 613 HG13 VAL 78 3HG1 VAL 78 3.131 -3.493 -1.135 614 HG21 VAL 78 3HG2 VAL 78 -0.452 -3.930 -2.305 615 HG22 VAL 78 1HG2 VAL 78 -0.480 -4.177 -0.557 616 HG23 VAL 78 2HG2 VAL 78 -0.600 -5.561 -1.644 617 H GLU 79 H GLU 79 3.365 -7.291 -2.121 618 HA GLU 79 HA GLU 79 5.935 -6.187 -1.979 619 HB2 GLU 79 2HB GLU 79 5.294 -8.366 -0.984 620 HB3 GLU 79 1HB GLU 79 5.086 -9.053 -2.590 621 HG2 GLU 79 2HG GLU 79 7.517 -8.722 -3.014 622 HG3 GLU 79 1HG GLU 79 7.697 -8.110 -1.369 623 H ALA 80 H ALA 80 4.237 -7.780 -4.628 624 HA ALA 80 HA ALA 80 6.268 -7.945 -6.560 625 HB1 ALA 80 3HB ALA 80 4.133 -9.179 -6.705 626 HB2 ALA 80 1HB ALA 80 4.436 -8.263 -8.181 627 HB3 ALA 80 2HB ALA 80 3.270 -7.667 -6.996 628 H VAL 81 H VAL 81 4.191 -5.270 -5.636 629 HA VAL 81 HA VAL 81 4.493 -3.582 -7.895 630 HB VAL 81 HB VAL 81 3.832 -2.930 -4.981 631 HG11 VAL 81 1HG1 VAL 81 4.655 -0.874 -6.009 632 HG12 VAL 81 2HG1 VAL 81 2.911 -0.768 -5.777 633 HG13 VAL 81 3HG1 VAL 81 3.568 -1.088 -7.384 634 HG21 VAL 81 3HG2 VAL 81 2.013 -3.260 -7.401 635 HG22 VAL 81 1HG2 VAL 81 1.492 -2.827 -5.768 636 HG23 VAL 81 2HG2 VAL 81 2.202 -4.413 -6.076 637 H PHE 82 H PHE 82 6.397 -3.829 -4.866 638 HA PHE 82 HA PHE 82 8.279 -1.750 -5.721 639 HB2 PHE 82 2HB PHE 82 8.447 -3.506 -3.239 640 HB3 PHE 82 1HB PHE 82 9.215 -1.938 -3.504 641 HD1 PHE 82 HD1 PHE 82 7.448 0.001 -4.189 642 HD2 PHE 82 HD2 PHE 82 6.543 -3.496 -1.910 643 HE1 PHE 82 HE1 PHE 82 5.424 1.086 -3.315 644 HE2 PHE 82 HE2 PHE 82 4.547 -2.395 -1.034 645 HZ PHE 82 HZ PHE 82 3.978 -0.136 -1.759 646 H GLU 83 H GLU 83 8.208 -4.384 -7.249 647 HA GLU 83 HA GLU 83 11.105 -4.908 -7.181 648 HB2 GLU 83 2HB GLU 83 9.051 -7.154 -6.938 649 HB3 GLU 83 1HB GLU 83 10.769 -7.390 -7.211 650 HG2 GLU 83 2HG GLU 83 11.256 -6.429 -5.006 651 HG3 GLU 83 1HG GLU 83 9.531 -6.190 -4.723 652 H LEU 84 H LEU 84 8.071 -6.051 -8.593 653 HA LEU 84 HA LEU 84 7.323 -6.592 -10.624 654 HB2 LEU 84 2HB LEU 84 9.369 -4.590 -11.667 655 HB3 LEU 84 1HB LEU 84 8.092 -5.306 -12.627 656 HG LEU 84 HG LEU 84 7.223 -3.198 -12.149 657 HD11 LEU 84 1HD1 LEU 84 5.568 -4.890 -11.587 658 HD12 LEU 84 2HD1 LEU 84 5.351 -3.427 -10.631 659 HD13 LEU 84 3HD1 LEU 84 6.089 -4.854 -9.902 660 HD21 LEU 84 3HD2 LEU 84 8.952 -2.425 -10.619 661 HD22 LEU 84 1HD2 LEU 84 8.220 -3.344 -9.301 662 HD23 LEU 84 2HD2 LEU 84 7.346 -1.994 -10.032 663 H GLU 85 H GLU 85 9.357 -8.142 -9.414 664 HA GLU 85 HA GLU 85 11.244 -9.109 -11.334 665 HB2 GLU 85 2HB GLU 85 10.300 -10.135 -8.637 666 HB3 GLU 85 1HB GLU 85 11.516 -10.976 -9.587 667 HG2 GLU 85 2HG GLU 85 11.799 -8.101 -8.665 668 HG3 GLU 85 1HG GLU 85 12.407 -9.491 -7.767 669 H HIS 86 H HIS 86 10.187 -9.742 -13.176 670 HA HIS 86 HA HIS 86 8.371 -12.098 -13.031 671 HB2 HIS 86 2HB HIS 86 8.533 -9.883 -15.140 672 HB3 HIS 86 1HB HIS 86 7.555 -11.339 -15.309 673 HD1 HIS 86 HD1 HIS 86 7.626 -8.012 -13.665 674 HD2 HIS 86 HD2 HIS 86 5.223 -11.401 -13.691 675 HE1 HIS 86 HE1 HIS 86 5.470 -7.308 -12.585 676 HE2 HIS 86 HE2 HIS 86 4.005 -9.360 -12.659 677 H HIS 87 H HIS 87 9.223 -13.937 -13.822 678 HA HIS 87 HA HIS 87 10.562 -15.455 -14.840 679 HB2 HIS 87 2HB HIS 87 10.824 -13.300 -16.987 680 HB3 HIS 87 1HB HIS 87 11.330 -14.975 -17.185 681 HD1 HIS 87 HD1 HIS 87 9.654 -16.361 -18.377 682 HD2 HIS 87 HD2 HIS 87 7.861 -13.225 -16.327 683 HE1 HIS 87 HE1 HIS 87 7.197 -16.544 -18.887 684 HE2 HIS 87 HE2 HIS 87 6.166 -14.523 -17.774 685 H HIS 88 H HIS 88 11.734 -13.682 -12.898 686 HA HIS 88 HA HIS 88 14.339 -12.804 -13.761 687 HB2 HIS 88 2HB HIS 88 14.660 -12.008 -11.464 688 HB3 HIS 88 1HB HIS 88 13.082 -11.520 -12.054 689 HD1 HIS 88 HD1 HIS 88 14.232 -12.036 -9.000 690 HD2 HIS 88 HD2 HIS 88 11.373 -14.214 -11.090 691 HE1 HIS 88 HE1 HIS 88 12.808 -13.123 -7.240 692 HE2 HIS 88 HE2 HIS 88 11.202 -14.578 -8.529 693 H HIS 89 H HIS 89 16.124 -13.980 -13.854 694 HA HIS 89 HA HIS 89 16.540 -16.290 -12.036 695 HB2 HIS 89 2HB HIS 89 17.238 -16.070 -14.998 696 HB3 HIS 89 1HB HIS 89 17.992 -17.256 -13.941 697 HD1 HIS 89 HD1 HIS 89 16.853 -19.433 -13.804 698 HD2 HIS 89 HD2 HIS 89 14.290 -16.453 -15.122 699 HE1 HIS 89 HE1 HIS 89 14.728 -20.612 -14.405 700 HE2 HIS 89 HE2 HIS 89 13.275 -18.812 -15.410 701 H HIS 90 H HIS 90 17.668 -15.026 -10.584 702 HA HIS 90 HA HIS 90 20.130 -13.644 -11.409 703 HB2 HIS 90 2HB HIS 90 18.720 -13.814 -8.706 704 HB3 HIS 90 1HB HIS 90 20.243 -12.969 -8.969 705 HD1 HIS 90 HD1 HIS 90 20.026 -10.554 -9.522 706 HD2 HIS 90 HD2 HIS 90 16.530 -12.639 -10.361 707 HE1 HIS 90 HE1 HIS 90 18.353 -8.804 -10.188 708 HE2 HIS 90 HE2 HIS 90 16.186 -10.069 -10.439 709 H HIS 91 H HIS 91 19.297 -15.855 -8.707 710 HA HIS 91 HA HIS 91 21.187 -17.851 -9.462 711 HB2 HIS 91 2HB HIS 91 22.633 -17.697 -7.386 712 HB3 HIS 91 1HB HIS 91 22.882 -16.397 -8.545 713 HD1 HIS 91 HD1 HIS 91 21.734 -17.066 -5.066 714 HD2 HIS 91 HD2 HIS 91 22.055 -13.830 -7.643 715 HE1 HIS 91 HE1 HIS 91 21.396 -15.039 -3.633 716 HE2 HIS 91 HE2 HIS 91 21.817 -13.096 -5.175
Contact the webmaster for help, if required. Sunday, May 19, 2024 3:01:57 PM GMT (wattos1)