NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26221 | 2kgc | 16201 | 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 HT1 MET 1 -19.993 11.032 2.345 2 H2 MET 1 HT2 MET 1 -19.451 9.844 1.266 3 H3 MET 1 HT3 MET 1 -20.089 11.294 0.670 4 HA MET 1 HA MET 1 -17.733 11.352 0.466 5 HB2 MET 1 HB2 MET 1 -18.786 13.097 2.701 6 HB3 MET 1 HB1 MET 1 -17.226 13.336 1.932 7 HG2 MET 1 HG2 MET 1 -18.757 14.871 0.971 8 HG3 MET 1 HG1 MET 1 -18.408 13.634 -0.235 9 HE1 MET 1 HE1 MET 1 -20.825 15.660 -0.479 10 HE2 MET 1 HE2 MET 1 -22.132 14.596 -0.996 11 HE3 MET 1 HE3 MET 1 -20.514 14.401 -1.674 12 H ALA 2 HN ALA 2 -15.829 10.553 1.106 13 HA ALA 2 HA ALA 2 -15.276 10.108 3.921 14 HB1 ALA 2 HB1 ALA 2 -15.233 7.803 1.972 15 HB2 ALA 2 HB2 ALA 2 -16.408 8.035 3.267 16 HB3 ALA 2 HB3 ALA 2 -14.711 7.755 3.656 17 H THR 3 HN THR 3 -12.991 9.393 4.240 18 HA THR 3 HA THR 3 -11.279 10.913 2.491 19 HB THR 3 HB THR 3 -10.485 9.247 4.854 20 HG1 THR 3 HG1 THR 3 -11.943 11.578 4.710 21 HG21 THR 3 HG21 THR 3 -8.618 10.023 3.472 22 HG22 THR 3 HG22 THR 3 -8.632 10.846 5.032 23 HG23 THR 3 HG23 THR 3 -9.218 11.680 3.592 24 H LEU 4 HN LEU 4 -10.749 9.976 0.603 25 HA LEU 4 HA LEU 4 -10.436 7.125 0.355 26 HB2 LEU 4 HB2 LEU 4 -9.939 9.327 -1.647 27 HB3 LEU 4 HB1 LEU 4 -9.965 7.614 -2.009 28 HG LEU 4 HG LEU 4 -12.318 9.268 -1.081 29 HD11 LEU 4 HD11 LEU 4 -11.686 7.981 -3.729 30 HD12 LEU 4 HD12 LEU 4 -11.706 9.710 -3.381 31 HD13 LEU 4 HD13 LEU 4 -13.204 8.777 -3.313 32 HD21 LEU 4 HD21 LEU 4 -12.454 7.012 -0.192 33 HD22 LEU 4 HD22 LEU 4 -12.148 6.343 -1.795 34 HD23 LEU 4 HD23 LEU 4 -13.634 7.240 -1.481 35 H LEU 5 HN LEU 5 -8.492 6.244 -0.805 36 HA LEU 5 HA LEU 5 -6.083 7.044 0.603 37 HB2 LEU 5 HB2 LEU 5 -7.093 4.646 -0.102 38 HB3 LEU 5 HB1 LEU 5 -6.060 4.929 -1.489 39 HG LEU 5 HG LEU 5 -5.148 4.850 1.392 40 HD11 LEU 5 HD11 LEU 5 -4.101 2.748 0.815 41 HD12 LEU 5 HD12 LEU 5 -4.718 2.859 -0.832 42 HD13 LEU 5 HD13 LEU 5 -5.839 2.659 0.516 43 HD21 LEU 5 HD21 LEU 5 -3.535 5.050 -1.146 44 HD22 LEU 5 HD22 LEU 5 -2.895 4.905 0.492 45 HD23 LEU 5 HD23 LEU 5 -3.788 6.350 0.016 46 H THR 6 HN THR 6 -4.573 8.385 -0.270 47 HA THR 6 HA THR 6 -4.793 8.978 -3.145 48 HB THR 6 HB THR 6 -3.695 11.106 -2.687 49 HG1 THR 6 HG1 THR 6 -3.828 11.015 0.041 50 HG21 THR 6 HG21 THR 6 -6.117 11.063 -2.457 51 HG22 THR 6 HG22 THR 6 -5.416 12.158 -1.264 52 HG23 THR 6 HG23 THR 6 -5.968 10.555 -0.774 53 H THR 7 HN THR 7 -2.611 9.797 -4.097 54 HA THR 7 HA THR 7 -0.738 7.713 -4.132 55 HB THR 7 HB THR 7 0.793 9.538 -5.145 56 HG1 THR 7 HG1 THR 7 -0.944 11.241 -5.931 57 HG21 THR 7 HG21 THR 7 -1.874 8.958 -6.437 58 HG22 THR 7 HG22 THR 7 -0.463 7.895 -6.463 59 HG23 THR 7 HG23 THR 7 -0.401 9.465 -7.264 60 H ASP 8 HN ASP 8 -0.460 10.948 -2.695 61 HA ASP 8 HA ASP 8 2.053 10.517 -1.510 62 HB2 ASP 8 HB2 ASP 8 1.075 12.754 -1.954 63 HB3 ASP 8 HB1 ASP 8 -0.070 12.487 -0.645 64 H ASP 9 HN ASP 9 -1.230 10.098 -0.267 65 HA ASP 9 HA ASP 9 -0.564 9.570 2.415 66 HB2 ASP 9 HB2 ASP 9 -2.911 9.373 0.764 67 HB3 ASP 9 HB1 ASP 9 -2.767 7.925 1.754 68 H LEU 10 HN LEU 10 -0.948 7.382 -0.357 69 HA LEU 10 HA LEU 10 -0.299 4.999 0.990 70 HB2 LEU 10 HB2 LEU 10 -1.311 5.113 -1.272 71 HB3 LEU 10 HB1 LEU 10 0.206 5.723 -1.901 72 HG LEU 10 HG LEU 10 1.300 3.594 -1.272 73 HD11 LEU 10 HD11 LEU 10 -0.151 2.934 0.562 74 HD12 LEU 10 HD12 LEU 10 -0.097 1.674 -0.670 75 HD13 LEU 10 HD13 LEU 10 -1.501 2.735 -0.556 76 HD21 LEU 10 HD21 LEU 10 -1.124 3.341 -3.048 77 HD22 LEU 10 HD22 LEU 10 0.243 2.228 -3.022 78 HD23 LEU 10 HD23 LEU 10 0.479 3.899 -3.532 79 H ARG 11 HN ARG 11 1.686 7.299 -0.816 80 HA ARG 11 HA ARG 11 4.160 6.060 -0.590 81 HB2 ARG 11 HB2 ARG 11 3.838 7.958 -2.044 82 HB3 ARG 11 HB1 ARG 11 3.447 8.995 -0.681 83 HG2 ARG 11 HG2 ARG 11 5.680 8.978 0.091 84 HG3 ARG 11 HG1 ARG 11 6.125 7.671 -1.008 85 HD2 ARG 11 HD2 ARG 11 6.937 9.852 -1.796 86 HD3 ARG 11 HD1 ARG 11 5.791 9.131 -2.923 87 HE ARG 11 HE ARG 11 4.496 10.901 -1.102 88 HH11 ARG 11 HH11 ARG 11 6.462 10.820 -3.998 89 HH12 ARG 11 HH12 ARG 11 5.919 12.366 -4.577 90 HH21 ARG 11 HH21 ARG 11 3.757 12.926 -1.852 91 HH22 ARG 11 HH22 ARG 11 4.353 13.557 -3.372 92 H ARG 12 HN ARG 12 2.527 8.245 1.667 93 HA ARG 12 HA ARG 12 4.671 8.381 3.512 94 HB2 ARG 12 HB2 ARG 12 1.718 8.833 3.973 95 HB3 ARG 12 HB1 ARG 12 2.991 9.229 5.117 96 HG2 ARG 12 HG2 ARG 12 2.570 10.452 2.400 97 HG3 ARG 12 HG1 ARG 12 2.287 11.215 3.965 98 HD2 ARG 12 HD2 ARG 12 4.955 10.273 2.915 99 HD3 ARG 12 HD1 ARG 12 4.400 11.946 2.966 100 HE ARG 12 HE ARG 12 4.284 10.809 5.555 101 HH11 ARG 12 HH11 ARG 12 6.550 12.021 3.190 102 HH12 ARG 12 HH12 ARG 12 7.770 12.425 4.365 103 HH21 ARG 12 HH21 ARG 12 5.855 11.354 7.113 104 HH22 ARG 12 HH22 ARG 12 7.365 12.046 6.603 105 H ALA 13 HN ALA 13 1.839 6.276 3.252 106 HA ALA 13 HA ALA 13 1.994 5.142 5.802 107 HB1 ALA 13 HB1 ALA 13 0.024 4.988 4.353 108 HB2 ALA 13 HB2 ALA 13 0.528 3.411 4.960 109 HB3 ALA 13 HB3 ALA 13 0.899 3.877 3.299 110 H LEU 14 HN LEU 14 3.439 4.078 2.743 111 HA LEU 14 HA LEU 14 4.579 1.693 3.669 112 HB2 LEU 14 HB2 LEU 14 5.185 3.576 1.444 113 HB3 LEU 14 HB1 LEU 14 6.384 2.366 1.847 114 HG LEU 14 HG LEU 14 5.009 1.595 0.014 115 HD11 LEU 14 HD11 LEU 14 5.825 -0.079 1.575 116 HD12 LEU 14 HD12 LEU 14 4.254 -0.537 0.916 117 HD13 LEU 14 HD13 LEU 14 4.367 0.110 2.552 118 HD21 LEU 14 HD21 LEU 14 2.661 1.898 1.879 119 HD22 LEU 14 HD22 LEU 14 2.622 1.179 0.269 120 HD23 LEU 14 HD23 LEU 14 2.994 2.893 0.461 121 H VAL 15 HN VAL 15 5.855 4.996 3.639 122 HA VAL 15 HA VAL 15 8.393 4.350 4.734 123 HB VAL 15 HB VAL 15 6.935 7.002 4.820 124 HG11 VAL 15 HG11 VAL 15 9.150 7.986 5.097 125 HG12 VAL 15 HG12 VAL 15 9.883 6.383 5.062 126 HG13 VAL 15 HG13 VAL 15 8.824 6.838 6.397 127 HG21 VAL 15 HG21 VAL 15 8.215 7.559 2.802 128 HG22 VAL 15 HG22 VAL 15 7.156 6.174 2.531 129 HG23 VAL 15 HG23 VAL 15 8.884 5.926 2.779 130 H GLU 16 HN GLU 16 5.393 5.618 6.170 131 HA GLU 16 HA GLU 16 6.319 6.004 8.774 132 HB2 GLU 16 HB2 GLU 16 3.546 5.250 7.836 133 HB3 GLU 16 HB1 GLU 16 3.932 5.838 9.447 134 HG2 GLU 16 HG2 GLU 16 4.657 7.959 8.529 135 HG3 GLU 16 HG1 GLU 16 4.363 7.369 6.894 136 H SER 17 HN SER 17 5.318 3.075 7.152 137 HA SER 17 HA SER 17 5.115 1.547 9.589 138 HB2 SER 17 HB2 SER 17 5.221 0.575 6.726 139 HB3 SER 17 HB1 SER 17 4.668 -0.340 8.129 140 HG SER 17 HG SER 17 3.441 1.832 6.813 141 H ALA 18 HN ALA 18 7.355 1.551 6.809 142 HA ALA 18 HA ALA 18 9.053 -0.383 8.103 143 HB1 ALA 18 HB1 ALA 18 9.436 1.126 5.520 144 HB2 ALA 18 HB2 ALA 18 8.691 -0.464 5.695 145 HB3 ALA 18 HB3 ALA 18 10.399 -0.245 6.072 146 H GLY 19 HN GLY 19 9.668 2.892 6.816 147 HA2 GLY 19 HA2 GLY 19 10.931 4.568 7.899 148 HA3 GLY 19 HA1 GLY 19 11.515 3.358 9.034 149 H GLU 20 HN GLU 20 11.770 1.874 6.183 150 HA GLU 20 HA GLU 20 14.576 2.113 5.973 151 HB2 GLU 20 HB2 GLU 20 12.742 1.174 3.764 152 HB3 GLU 20 HB1 GLU 20 14.406 0.697 4.060 153 HG2 GLU 20 HG2 GLU 20 12.025 0.000 5.762 154 HG3 GLU 20 HG1 GLU 20 12.875 -1.079 4.656 155 H THR 21 HN THR 21 15.539 3.988 5.375 156 HA THR 21 HA THR 21 14.371 5.427 3.082 157 HB THR 21 HB THR 21 15.815 6.855 5.307 158 HG1 THR 21 HG1 THR 21 13.845 5.597 6.001 159 HG21 THR 21 HG21 THR 21 14.555 8.783 4.482 160 HG22 THR 21 HG22 THR 21 13.729 7.760 3.306 161 HG23 THR 21 HG23 THR 21 15.464 8.039 3.167 162 H ASP 22 HN ASP 22 16.473 3.412 3.162 163 HA ASP 22 HA ASP 22 18.663 5.067 2.113 164 HB2 ASP 22 HB2 ASP 22 20.253 3.331 2.793 165 HB3 ASP 22 HB1 ASP 22 19.371 3.949 4.181 166 H GLY 23 HN GLY 23 18.875 4.894 -0.001 167 HA2 GLY 23 HA2 GLY 23 19.391 3.729 -1.962 168 HA3 GLY 23 HA1 GLY 23 18.825 2.244 -1.212 169 H THR 24 HN THR 24 16.263 3.072 -0.424 170 HA THR 24 HA THR 24 14.965 3.047 -3.037 171 HB THR 24 HB THR 24 14.296 1.263 -1.565 172 HG1 THR 24 HG1 THR 24 12.105 1.537 -1.718 173 HG21 THR 24 HG21 THR 24 13.152 1.697 0.580 174 HG22 THR 24 HG22 THR 24 13.543 3.410 0.415 175 HG23 THR 24 HG23 THR 24 14.835 2.223 0.584 176 H ASP 25 HN ASP 25 14.192 4.841 -3.877 177 HA ASP 25 HA ASP 25 13.240 6.941 -2.051 178 HB2 ASP 25 HB2 ASP 25 14.424 7.186 -4.819 179 HB3 ASP 25 HB1 ASP 25 13.583 8.505 -4.014 180 H LEU 26 HN LEU 26 11.119 6.959 -1.933 181 HA LEU 26 HA LEU 26 9.495 6.103 -4.189 182 HB2 LEU 26 HB2 LEU 26 8.803 6.899 -1.364 183 HB3 LEU 26 HB1 LEU 26 7.581 6.599 -2.582 184 HG LEU 26 HG LEU 26 8.627 4.280 -2.835 185 HD11 LEU 26 HD11 LEU 26 9.842 5.030 -0.185 186 HD12 LEU 26 HD12 LEU 26 10.725 4.742 -1.684 187 HD13 LEU 26 HD13 LEU 26 9.840 3.424 -0.914 188 HD21 LEU 26 HD21 LEU 26 7.384 3.413 -0.915 189 HD22 LEU 26 HD22 LEU 26 6.479 4.658 -1.775 190 HD23 LEU 26 HD23 LEU 26 7.276 5.043 -0.250 191 H SER 27 HN SER 27 11.107 8.710 -3.871 192 HA SER 27 HA SER 27 9.085 10.766 -4.029 193 HB2 SER 27 HB2 SER 27 12.047 10.985 -4.600 194 HB3 SER 27 HB1 SER 27 10.934 12.295 -4.207 195 HG SER 27 HG SER 27 12.184 11.605 -2.403 196 H GLY 28 HN GLY 28 9.681 8.473 -6.107 197 HA2 GLY 28 HA2 GLY 28 9.348 10.248 -8.430 198 HA3 GLY 28 HA1 GLY 28 10.475 8.901 -8.495 199 H ASP 29 HN ASP 29 9.729 7.137 -9.415 200 HA ASP 29 HA ASP 29 6.819 6.772 -9.558 201 HB2 ASP 29 HB2 ASP 29 9.024 5.995 -11.459 202 HB3 ASP 29 HB1 ASP 29 7.425 5.257 -11.544 203 H PHE 30 HN PHE 30 6.119 5.387 -8.139 204 HA PHE 30 HA PHE 30 7.775 3.034 -7.508 205 HB2 PHE 30 HB2 PHE 30 6.976 3.158 -5.198 206 HB3 PHE 30 HB1 PHE 30 7.780 4.651 -5.655 207 HD1 PHE 30 HD2 PHE 30 6.144 6.508 -6.591 208 HD2 PHE 30 HD1 PHE 30 4.975 3.302 -4.057 209 HE1 PHE 30 HE2 PHE 30 4.172 7.794 -5.877 210 HE2 PHE 30 HE1 PHE 30 2.999 4.584 -3.340 211 HZ PHE 30 HZ PHE 30 2.597 6.813 -4.219 212 H LEU 31 HN LEU 31 4.588 4.303 -8.128 213 HA LEU 31 HA LEU 31 3.003 2.163 -7.314 214 HB2 LEU 31 HB2 LEU 31 2.608 4.157 -9.534 215 HB3 LEU 31 HB1 LEU 31 1.375 3.014 -9.035 216 HG LEU 31 HG LEU 31 2.565 5.209 -7.337 217 HD11 LEU 31 HD11 LEU 31 -0.193 4.840 -8.494 218 HD12 LEU 31 HD12 LEU 31 1.009 6.024 -9.010 219 HD13 LEU 31 HD13 LEU 31 0.299 6.131 -7.398 220 HD21 LEU 31 HD21 LEU 31 0.887 4.522 -5.667 221 HD22 LEU 31 HD22 LEU 31 2.096 3.275 -5.963 222 HD23 LEU 31 HD23 LEU 31 0.487 3.126 -6.668 223 H ASP 32 HN ASP 32 4.977 2.492 -10.166 224 HA ASP 32 HA ASP 32 3.633 0.278 -11.496 225 HB2 ASP 32 HB2 ASP 32 5.160 0.786 -13.375 226 HB3 ASP 32 HB1 ASP 32 4.235 2.194 -12.862 227 H LEU 33 HN LEU 33 6.334 0.806 -9.472 228 HA LEU 33 HA LEU 33 7.701 -1.626 -10.284 229 HB2 LEU 33 HB2 LEU 33 8.196 0.312 -8.021 230 HB3 LEU 33 HB1 LEU 33 9.189 -1.095 -8.343 231 HG LEU 33 HG LEU 33 8.816 1.252 -10.205 232 HD11 LEU 33 HD11 LEU 33 10.142 1.773 -8.209 233 HD12 LEU 33 HD12 LEU 33 11.133 1.762 -9.665 234 HD13 LEU 33 HD13 LEU 33 11.191 0.397 -8.551 235 HD21 LEU 33 HD21 LEU 33 10.597 -1.174 -10.419 236 HD22 LEU 33 HD22 LEU 33 10.572 0.195 -11.531 237 HD23 LEU 33 HD23 LEU 33 9.162 -0.856 -11.396 238 H ARG 34 HN ARG 34 7.894 -3.478 -8.934 239 HA ARG 34 HA ARG 34 5.544 -4.067 -7.400 240 HB2 ARG 34 HB2 ARG 34 8.109 -5.645 -7.648 241 HB3 ARG 34 HB1 ARG 34 6.586 -6.245 -7.008 242 HG2 ARG 34 HG2 ARG 34 5.555 -6.156 -9.132 243 HG3 ARG 34 HG1 ARG 34 6.900 -5.238 -9.819 244 HD2 ARG 34 HD2 ARG 34 6.981 -8.083 -8.825 245 HD3 ARG 34 HD1 ARG 34 7.045 -7.554 -10.508 246 HE ARG 34 HE ARG 34 9.136 -6.249 -9.473 247 HH11 ARG 34 HH11 ARG 34 8.169 -9.610 -9.137 248 HH12 ARG 34 HH12 ARG 34 9.797 -10.175 -8.914 249 HH21 ARG 34 HH21 ARG 34 11.244 -6.981 -9.141 250 HH22 ARG 34 HH22 ARG 34 11.552 -8.684 -8.909 251 H PHE 35 HN PHE 35 5.658 -4.864 -5.148 252 HA PHE 35 HA PHE 35 6.688 -2.967 -3.400 253 HB2 PHE 35 HB2 PHE 35 6.042 -5.851 -2.761 254 HB3 PHE 35 HB1 PHE 35 6.142 -4.532 -1.603 255 HD1 PHE 35 HD2 PHE 35 4.582 -2.470 -2.201 256 HD2 PHE 35 HD1 PHE 35 3.980 -6.469 -3.522 257 HE1 PHE 35 HE2 PHE 35 2.200 -1.988 -2.558 258 HE2 PHE 35 HE1 PHE 35 1.596 -5.989 -3.885 259 HZ PHE 35 HZ PHE 35 0.698 -3.750 -3.403 260 H GLU 36 HN GLU 36 8.014 -6.152 -4.233 261 HA GLU 36 HA GLU 36 10.301 -5.925 -2.606 262 HB2 GLU 36 HB2 GLU 36 11.219 -7.763 -4.047 263 HB3 GLU 36 HB1 GLU 36 9.675 -8.095 -3.280 264 HG2 GLU 36 HG2 GLU 36 8.524 -7.629 -5.373 265 HG3 GLU 36 HG1 GLU 36 10.068 -7.271 -6.148 266 H ASP 37 HN ASP 37 9.564 -4.496 -5.668 267 HA ASP 37 HA ASP 37 12.315 -4.150 -6.468 268 HB2 ASP 37 HB2 ASP 37 9.752 -2.941 -7.524 269 HB3 ASP 37 HB1 ASP 37 11.338 -2.563 -8.181 270 H ILE 38 HN ILE 38 9.842 -2.307 -4.800 271 HA ILE 38 HA ILE 38 11.593 0.002 -4.606 272 HB ILE 38 HB ILE 38 9.740 0.959 -3.173 273 HG12 ILE 38 HG12 ILE 38 8.261 -1.469 -4.202 274 HG13 ILE 38 HG11 ILE 38 8.709 -1.188 -2.524 275 HG21 ILE 38 HG21 ILE 38 8.323 1.460 -5.096 276 HG22 ILE 38 HG22 ILE 38 9.054 0.122 -5.983 277 HG23 ILE 38 HG23 ILE 38 10.033 1.517 -5.528 278 HD11 ILE 38 HD11 ILE 38 6.788 0.460 -4.155 279 HD12 ILE 38 HD12 ILE 38 7.250 0.788 -2.485 280 HD13 ILE 38 HD13 ILE 38 6.370 -0.689 -2.885 281 H GLY 39 HN GLY 39 11.875 -2.794 -3.276 282 HA2 GLY 39 HA2 GLY 39 13.235 -3.453 -1.552 283 HA3 GLY 39 HA1 GLY 39 13.443 -1.763 -1.132 284 H TYR 40 HN TYR 40 10.298 -3.345 -1.265 285 HA TYR 40 HA TYR 40 10.181 -3.050 1.652 286 HB2 TYR 40 HB2 TYR 40 8.075 -2.760 -0.460 287 HB3 TYR 40 HB1 TYR 40 7.617 -3.172 1.191 288 HD1 TYR 40 HD1 TYR 40 9.023 -0.564 -0.975 289 HD2 TYR 40 HD2 TYR 40 7.905 -1.581 3.002 290 HE1 TYR 40 HE1 TYR 40 9.183 1.804 -0.329 291 HE2 TYR 40 HE2 TYR 40 8.055 0.782 3.656 292 HH TYR 40 HH TYR 40 9.237 2.839 2.874 293 H ASP 41 HN ASP 41 10.275 -4.784 2.789 294 HA ASP 41 HA ASP 41 10.111 -7.404 1.708 295 HB2 ASP 41 HB2 ASP 41 10.134 -6.456 4.586 296 HB3 ASP 41 HB1 ASP 41 10.252 -8.141 4.093 297 H SER 42 HN SER 42 8.583 -9.028 2.143 298 HA SER 42 HA SER 42 5.913 -8.396 1.811 299 HB2 SER 42 HB2 SER 42 5.526 -10.784 2.600 300 HB3 SER 42 HB1 SER 42 6.685 -10.594 1.277 301 H LEU 43 HN LEU 43 7.626 -9.184 4.814 302 HA LEU 43 HA LEU 43 5.375 -9.135 6.507 303 HB2 LEU 43 HB2 LEU 43 7.766 -10.041 6.913 304 HB3 LEU 43 HB1 LEU 43 8.149 -8.403 7.396 305 HG LEU 43 HG LEU 43 7.647 -9.991 9.274 306 HD11 LEU 43 HD11 LEU 43 7.523 -7.582 9.603 307 HD12 LEU 43 HD12 LEU 43 6.288 -8.418 10.545 308 HD13 LEU 43 HD13 LEU 43 5.847 -7.588 9.054 309 HD21 LEU 43 HD21 LEU 43 5.856 -11.256 8.251 310 HD22 LEU 43 HD22 LEU 43 4.849 -9.810 8.168 311 HD23 LEU 43 HD23 LEU 43 5.285 -10.494 9.734 312 H ALA 44 HN ALA 44 7.811 -6.629 5.802 313 HA ALA 44 HA ALA 44 6.646 -4.614 7.391 314 HB1 ALA 44 HB1 ALA 44 8.941 -4.461 6.579 315 HB2 ALA 44 HB2 ALA 44 8.011 -3.048 6.078 316 HB3 ALA 44 HB3 ALA 44 8.358 -4.333 4.921 317 H LEU 45 HN LEU 45 6.044 -5.720 4.145 318 HA LEU 45 HA LEU 45 4.400 -3.610 3.268 319 HB2 LEU 45 HB2 LEU 45 5.311 -5.135 1.683 320 HB3 LEU 45 HB1 LEU 45 4.603 -6.514 2.498 321 HG LEU 45 HG LEU 45 2.354 -5.733 1.814 322 HD11 LEU 45 HD11 LEU 45 2.134 -3.981 0.149 323 HD12 LEU 45 HD12 LEU 45 3.871 -3.667 0.222 324 HD13 LEU 45 HD13 LEU 45 2.853 -3.342 1.628 325 HD21 LEU 45 HD21 LEU 45 4.322 -6.071 -0.444 326 HD22 LEU 45 HD22 LEU 45 2.582 -6.340 -0.533 327 HD23 LEU 45 HD23 LEU 45 3.587 -7.374 0.485 328 H MET 46 HN MET 46 3.582 -6.718 4.842 329 HA MET 46 HA MET 46 0.793 -6.154 4.805 330 HB2 MET 46 HB2 MET 46 0.473 -8.127 6.094 331 HB3 MET 46 HB1 MET 46 1.760 -8.458 4.948 332 HG2 MET 46 HG2 MET 46 3.420 -8.195 6.685 333 HG3 MET 46 HG1 MET 46 2.164 -7.766 7.845 334 HE1 MET 46 HE1 MET 46 -0.138 -9.849 6.794 335 HE2 MET 46 HE2 MET 46 0.160 -9.482 8.494 336 HE3 MET 46 HE3 MET 46 0.112 -11.157 7.950 337 H GLU 47 HN GLU 47 3.381 -5.403 7.017 338 HA GLU 47 HA GLU 47 1.789 -4.507 9.172 339 HB2 GLU 47 HB2 GLU 47 4.505 -3.606 8.195 340 HB3 GLU 47 HB1 GLU 47 3.758 -2.991 9.664 341 HG2 GLU 47 HG2 GLU 47 3.678 -5.330 10.512 342 HG3 GLU 47 HG1 GLU 47 4.595 -5.820 9.086 343 H THR 48 HN THR 48 2.936 -2.950 6.233 344 HA THR 48 HA THR 48 1.934 -0.370 6.662 345 HB THR 48 HB THR 48 2.223 -1.804 4.010 346 HG1 THR 48 HG1 THR 48 4.176 -1.736 5.343 347 HG21 THR 48 HG21 THR 48 2.260 1.136 4.697 348 HG22 THR 48 HG22 THR 48 0.947 0.285 3.882 349 HG23 THR 48 HG23 THR 48 2.520 0.446 3.096 350 H ALA 49 HN ALA 49 0.471 -3.266 5.272 351 HA ALA 49 HA ALA 49 -1.924 -2.196 4.339 352 HB1 ALA 49 HB1 ALA 49 -1.194 -4.487 3.873 353 HB2 ALA 49 HB2 ALA 49 -2.837 -4.441 4.507 354 HB3 ALA 49 HB3 ALA 49 -1.505 -4.927 5.553 355 H ALA 50 HN ALA 50 -1.063 -3.318 7.574 356 HA ALA 50 HA ALA 50 -3.607 -3.097 8.755 357 HB1 ALA 50 HB1 ALA 50 -2.373 -3.063 10.892 358 HB2 ALA 50 HB2 ALA 50 -0.866 -2.865 9.997 359 HB3 ALA 50 HB3 ALA 50 -1.815 -4.341 9.811 360 H ARG 51 HN ARG 51 -1.068 -0.800 8.110 361 HA ARG 51 HA ARG 51 -2.042 1.312 9.740 362 HB2 ARG 51 HB2 ARG 51 -0.409 1.561 7.213 363 HB3 ARG 51 HB1 ARG 51 -0.502 2.711 8.534 364 HG2 ARG 51 HG2 ARG 51 0.616 -0.065 8.791 365 HG3 ARG 51 HG1 ARG 51 1.585 1.372 8.464 366 HD2 ARG 51 HD2 ARG 51 0.983 2.334 10.575 367 HD3 ARG 51 HD1 ARG 51 -0.193 1.051 10.876 368 HE ARG 51 HE ARG 51 1.722 -0.496 10.992 369 HH11 ARG 51 HH11 ARG 51 2.350 2.928 11.422 370 HH12 ARG 51 HH12 ARG 51 3.806 2.667 12.328 371 HH21 ARG 51 HH21 ARG 51 3.631 -0.830 12.175 372 HH22 ARG 51 HH22 ARG 51 4.534 0.547 12.755 373 H LEU 52 HN LEU 52 -2.533 0.358 6.388 374 HA LEU 52 HA LEU 52 -4.075 2.567 5.556 375 HB2 LEU 52 HB2 LEU 52 -4.278 -0.299 4.617 376 HB3 LEU 52 HB1 LEU 52 -4.880 1.109 3.766 377 HG LEU 52 HG LEU 52 -1.965 0.558 4.334 378 HD11 LEU 52 HD11 LEU 52 -1.797 0.068 1.950 379 HD12 LEU 52 HD12 LEU 52 -3.539 0.274 1.778 380 HD13 LEU 52 HD13 LEU 52 -2.900 -1.051 2.753 381 HD21 LEU 52 HD21 LEU 52 -1.537 2.398 2.811 382 HD22 LEU 52 HD22 LEU 52 -2.529 2.943 4.162 383 HD23 LEU 52 HD23 LEU 52 -3.269 2.645 2.591 384 H GLU 53 HN GLU 53 -5.019 -0.605 6.832 385 HA GLU 53 HA GLU 53 -7.780 -0.231 6.794 386 HB2 GLU 53 HB2 GLU 53 -6.131 -1.855 8.742 387 HB3 GLU 53 HB1 GLU 53 -7.869 -2.003 8.510 388 HG2 GLU 53 HG2 GLU 53 -7.510 -2.715 6.208 389 HG3 GLU 53 HG1 GLU 53 -5.768 -2.544 6.419 390 H SER 54 HN SER 54 -5.391 0.543 9.291 391 HA SER 54 HA SER 54 -7.247 1.343 11.274 392 HB2 SER 54 HB2 SER 54 -4.339 2.102 10.944 393 HB3 SER 54 HB1 SER 54 -5.297 2.319 12.408 394 HG SER 54 HG SER 54 -4.755 -0.165 11.143 395 H ARG 55 HN ARG 55 -5.949 3.005 8.513 396 HA ARG 55 HA ARG 55 -6.537 5.626 9.630 397 HB2 ARG 55 HB2 ARG 55 -4.482 5.288 8.292 398 HB3 ARG 55 HB1 ARG 55 -5.472 4.899 6.893 399 HG2 ARG 55 HG2 ARG 55 -6.353 7.123 6.817 400 HG3 ARG 55 HG1 ARG 55 -5.567 7.537 8.342 401 HD2 ARG 55 HD2 ARG 55 -4.165 6.805 5.769 402 HD3 ARG 55 HD1 ARG 55 -4.342 8.437 6.415 403 HE ARG 55 HE ARG 55 -3.132 6.889 8.387 404 HH11 ARG 55 HH11 ARG 55 -2.388 8.107 5.168 405 HH12 ARG 55 HH12 ARG 55 -0.670 8.063 5.429 406 HH21 ARG 55 HH21 ARG 55 -0.862 6.851 8.711 407 HH22 ARG 55 HH22 ARG 55 0.203 7.356 7.427 408 H TYR 56 HN TYR 56 -7.633 3.590 6.936 409 HA TYR 56 HA TYR 56 -9.679 5.580 6.306 410 HB2 TYR 56 HB2 TYR 56 -8.862 3.106 4.777 411 HB3 TYR 56 HB1 TYR 56 -9.956 4.365 4.208 412 HD1 TYR 56 HD2 TYR 56 -9.002 6.748 4.024 413 HD2 TYR 56 HD1 TYR 56 -6.570 3.279 4.385 414 HE1 TYR 56 HE2 TYR 56 -7.084 8.008 3.136 415 HE2 TYR 56 HE1 TYR 56 -4.648 4.525 3.504 416 HH TYR 56 HH TYR 56 -4.554 7.862 3.264 417 H GLY 57 HN GLY 57 -9.400 2.838 8.154 418 HA2 GLY 57 HA2 GLY 57 -11.008 1.701 9.352 419 HA3 GLY 57 HA1 GLY 57 -12.230 2.708 8.590 420 H VAL 58 HN VAL 58 -9.967 0.933 6.661 421 HA VAL 58 HA VAL 58 -12.194 -0.664 5.635 422 HB VAL 58 HB VAL 58 -10.742 -1.155 3.704 423 HG11 VAL 58 HG11 VAL 58 -10.959 1.781 4.359 424 HG12 VAL 58 HG12 VAL 58 -12.190 0.786 3.580 425 HG13 VAL 58 HG13 VAL 58 -10.665 1.114 2.754 426 HG21 VAL 58 HG21 VAL 58 -8.603 0.026 3.441 427 HG22 VAL 58 HG22 VAL 58 -8.577 -1.079 4.817 428 HG23 VAL 58 HG23 VAL 58 -8.754 0.655 5.083 429 H SER 59 HN SER 59 -11.040 -2.825 4.579 430 HA SER 59 HA SER 59 -9.085 -3.995 6.324 431 HB2 SER 59 HB2 SER 59 -11.366 -4.333 7.461 432 HB3 SER 59 HB1 SER 59 -11.737 -5.425 6.124 433 HG SER 59 HG SER 59 -9.288 -5.846 7.353 434 H ILE 60 HN ILE 60 -7.886 -5.443 5.228 435 HA ILE 60 HA ILE 60 -8.644 -5.868 2.422 436 HB ILE 60 HB ILE 60 -5.950 -6.262 3.731 437 HG12 ILE 60 HG12 ILE 60 -6.935 -3.950 2.037 438 HG13 ILE 60 HG11 ILE 60 -6.796 -3.905 3.790 439 HG21 ILE 60 HG21 ILE 60 -6.777 -6.145 0.834 440 HG22 ILE 60 HG22 ILE 60 -6.219 -7.573 1.705 441 HG23 ILE 60 HG23 ILE 60 -5.114 -6.228 1.414 442 HD11 ILE 60 HD11 ILE 60 -4.528 -4.287 1.850 443 HD12 ILE 60 HD12 ILE 60 -4.392 -4.241 3.609 444 HD13 ILE 60 HD13 ILE 60 -4.917 -2.806 2.730 445 HA PRO 61 HA PRO 61 -9.766 -10.071 3.452 446 HB2 PRO 61 HB2 PRO 61 -9.725 -10.378 0.509 447 HB3 PRO 61 HB1 PRO 61 -11.036 -10.674 1.657 448 HG2 PRO 61 HG2 PRO 61 -11.090 -8.559 0.048 449 HG3 PRO 61 HG1 PRO 61 -11.656 -8.445 1.726 450 HD2 PRO 61 HD2 PRO 61 -9.049 -7.556 0.542 451 HD3 PRO 61 HD1 PRO 61 -10.093 -6.723 1.714 452 H ASP 62 HN ASP 62 -8.979 -12.167 3.258 453 HA ASP 62 HA ASP 62 -6.212 -12.385 3.465 454 HB2 ASP 62 HB2 ASP 62 -7.801 -13.913 4.554 455 HB3 ASP 62 HB1 ASP 62 -8.246 -14.577 2.989 456 H ASP 63 HN ASP 63 -8.277 -13.650 0.825 457 HA ASP 63 HA ASP 63 -6.052 -14.857 -0.479 458 HB2 ASP 63 HB2 ASP 63 -8.828 -14.315 -1.557 459 HB3 ASP 63 HB1 ASP 63 -7.628 -15.349 -2.314 460 H VAL 64 HN VAL 64 -7.838 -11.860 -1.011 461 HA VAL 64 HA VAL 64 -6.639 -11.386 -3.554 462 HB VAL 64 HB VAL 64 -8.874 -10.474 -2.814 463 HG11 VAL 64 HG11 VAL 64 -8.865 -8.329 -1.627 464 HG12 VAL 64 HG12 VAL 64 -7.130 -8.498 -1.370 465 HG13 VAL 64 HG13 VAL 64 -8.245 -9.647 -0.632 466 HG21 VAL 64 HG21 VAL 64 -6.865 -8.538 -3.949 467 HG22 VAL 64 HG22 VAL 64 -8.617 -8.370 -4.054 468 HG23 VAL 64 HG23 VAL 64 -7.810 -9.718 -4.857 469 H ALA 65 HN ALA 65 -5.734 -10.740 -0.285 470 HA ALA 65 HA ALA 65 -4.017 -8.553 -0.646 471 HB1 ALA 65 HB1 ALA 65 -3.851 -10.777 1.380 472 HB2 ALA 65 HB2 ALA 65 -4.746 -9.267 1.557 473 HB3 ALA 65 HB3 ALA 65 -2.984 -9.245 1.472 474 H GLY 66 HN GLY 66 -3.490 -12.005 -0.951 475 HA2 GLY 66 HA2 GLY 66 -0.661 -11.626 -1.504 476 HA3 GLY 66 HA1 GLY 66 -1.508 -13.163 -1.404 477 H ARG 67 HN ARG 67 -3.333 -11.200 -3.339 478 HA ARG 67 HA ARG 67 -2.177 -12.482 -5.703 479 HB2 ARG 67 HB2 ARG 67 -4.927 -11.415 -5.122 480 HB3 ARG 67 HB1 ARG 67 -4.407 -11.818 -6.754 481 HG2 ARG 67 HG2 ARG 67 -3.900 -14.123 -5.943 482 HG3 ARG 67 HG1 ARG 67 -4.625 -13.675 -4.395 483 HD2 ARG 67 HD2 ARG 67 -6.194 -14.865 -5.907 484 HD3 ARG 67 HD1 ARG 67 -6.745 -13.252 -5.456 485 HE ARG 67 HE ARG 67 -5.274 -13.244 -7.909 486 HH11 ARG 67 HH11 ARG 67 -8.419 -13.995 -6.550 487 HH12 ARG 67 HH12 ARG 67 -9.283 -13.573 -7.994 488 HH21 ARG 67 HH21 ARG 67 -6.407 -12.654 -9.795 489 HH22 ARG 67 HH22 ARG 67 -8.144 -12.783 -9.833 490 H VAL 68 HN VAL 68 -1.938 -9.570 -4.219 491 HA VAL 68 HA VAL 68 -1.940 -8.024 -6.687 492 HB VAL 68 HB VAL 68 -1.302 -6.082 -5.272 493 HG11 VAL 68 HG11 VAL 68 -3.757 -7.577 -4.345 494 HG12 VAL 68 HG12 VAL 68 -3.648 -6.549 -5.773 495 HG13 VAL 68 HG13 VAL 68 -3.468 -5.845 -4.168 496 HG21 VAL 68 HG21 VAL 68 -0.149 -7.362 -3.506 497 HG22 VAL 68 HG22 VAL 68 -1.709 -7.983 -2.965 498 HG23 VAL 68 HG23 VAL 68 -1.360 -6.256 -2.862 499 H ASP 69 HN ASP 69 0.056 -6.453 -6.829 500 HA ASP 69 HA ASP 69 2.543 -7.874 -6.317 501 HB2 ASP 69 HB2 ASP 69 1.704 -8.859 -8.414 502 HB3 ASP 69 HB1 ASP 69 1.601 -7.256 -9.130 503 H THR 70 HN THR 70 1.070 -5.130 -8.051 504 HA THR 70 HA THR 70 3.331 -3.476 -7.176 505 HB THR 70 HB THR 70 2.535 -1.878 -8.957 506 HG1 THR 70 HG1 THR 70 1.170 -2.962 -10.583 507 HG21 THR 70 HG21 THR 70 3.285 -4.643 -9.926 508 HG22 THR 70 HG22 THR 70 4.421 -3.434 -9.330 509 HG23 THR 70 HG23 THR 70 3.511 -3.127 -10.808 510 HA PRO 71 HA PRO 71 0.911 -1.055 -4.329 511 HB2 PRO 71 HB2 PRO 71 2.152 1.237 -5.788 512 HB3 PRO 71 HB1 PRO 71 2.060 0.935 -4.051 513 HG2 PRO 71 HG2 PRO 71 4.330 0.501 -5.333 514 HG3 PRO 71 HG1 PRO 71 3.770 -0.665 -4.117 515 HD2 PRO 71 HD2 PRO 71 3.685 -0.847 -7.103 516 HD3 PRO 71 HD1 PRO 71 4.013 -2.115 -5.904 517 H ARG 72 HN ARG 72 0.985 -0.020 -7.727 518 HA ARG 72 HA ARG 72 -1.147 1.764 -7.703 519 HB2 ARG 72 HB2 ARG 72 0.401 1.310 -9.634 520 HB3 ARG 72 HB1 ARG 72 -0.530 -0.146 -9.958 521 HG2 ARG 72 HG2 ARG 72 -2.519 1.662 -9.871 522 HG3 ARG 72 HG1 ARG 72 -1.201 2.682 -10.452 523 HD2 ARG 72 HD2 ARG 72 -2.104 0.086 -11.674 524 HD3 ARG 72 HD1 ARG 72 -2.470 1.690 -12.295 525 HE ARG 72 HE ARG 72 0.021 1.931 -12.551 526 HH11 ARG 72 HH11 ARG 72 -1.474 -1.266 -12.590 527 HH12 ARG 72 HH12 ARG 72 -0.309 -1.920 -13.703 528 HH21 ARG 72 HH21 ARG 72 1.567 1.029 -13.980 529 HH22 ARG 72 HH22 ARG 72 1.428 -0.631 -14.467 530 H GLU 73 HN GLU 73 -1.180 -1.726 -8.350 531 HA GLU 73 HA GLU 73 -3.961 -1.923 -8.762 532 HB2 GLU 73 HB2 GLU 73 -2.137 -4.118 -7.771 533 HB3 GLU 73 HB1 GLU 73 -3.664 -4.311 -8.618 534 HG2 GLU 73 HG2 GLU 73 -1.093 -3.218 -9.742 535 HG3 GLU 73 HG1 GLU 73 -1.853 -4.760 -10.124 536 H LEU 74 HN LEU 74 -1.972 -2.142 -5.867 537 HA LEU 74 HA LEU 74 -3.983 -3.033 -4.079 538 HB2 LEU 74 HB2 LEU 74 -1.316 -2.578 -3.877 539 HB3 LEU 74 HB1 LEU 74 -1.929 -1.150 -3.072 540 HG LEU 74 HG LEU 74 -2.425 -4.019 -2.277 541 HD11 LEU 74 HD11 LEU 74 -1.196 -3.405 -0.268 542 HD12 LEU 74 HD12 LEU 74 -0.964 -1.774 -0.894 543 HD13 LEU 74 HD13 LEU 74 -0.215 -3.144 -1.710 544 HD21 LEU 74 HD21 LEU 74 -3.500 -1.477 -1.057 545 HD22 LEU 74 HD22 LEU 74 -3.634 -3.086 -0.346 546 HD23 LEU 74 HD23 LEU 74 -4.439 -2.725 -1.874 547 H LEU 75 HN LEU 75 -2.795 0.192 -4.938 548 HA LEU 75 HA LEU 75 -4.555 1.719 -3.404 549 HB2 LEU 75 HB2 LEU 75 -2.581 2.620 -4.578 550 HB3 LEU 75 HB1 LEU 75 -3.375 2.347 -6.117 551 HG LEU 75 HG LEU 75 -5.166 3.953 -5.361 552 HD11 LEU 75 HD11 LEU 75 -4.754 3.862 -2.974 553 HD12 LEU 75 HD12 LEU 75 -4.575 5.512 -3.573 554 HD13 LEU 75 HD13 LEU 75 -3.146 4.545 -3.211 555 HD21 LEU 75 HD21 LEU 75 -3.432 4.591 -6.949 556 HD22 LEU 75 HD22 LEU 75 -2.348 4.999 -5.618 557 HD23 LEU 75 HD23 LEU 75 -3.822 5.934 -5.876 558 H ASP 76 HN ASP 76 -4.833 0.613 -6.760 559 HA ASP 76 HA ASP 76 -7.306 1.735 -7.380 560 HB2 ASP 76 HB2 ASP 76 -5.760 0.743 -9.033 561 HB3 ASP 76 HB1 ASP 76 -6.134 -0.858 -8.406 562 H LEU 77 HN LEU 77 -6.520 -1.379 -5.930 563 HA LEU 77 HA LEU 77 -9.086 -2.499 -5.959 564 HB2 LEU 77 HB2 LEU 77 -7.084 -3.818 -5.540 565 HB3 LEU 77 HB1 LEU 77 -6.787 -2.941 -4.053 566 HG LEU 77 HG LEU 77 -8.920 -3.879 -3.143 567 HD11 LEU 77 HD11 LEU 77 -9.913 -5.803 -4.267 568 HD12 LEU 77 HD12 LEU 77 -8.812 -5.584 -5.629 569 HD13 LEU 77 HD13 LEU 77 -10.024 -4.354 -5.267 570 HD21 LEU 77 HD21 LEU 77 -6.886 -5.921 -4.030 571 HD22 LEU 77 HD22 LEU 77 -8.000 -6.071 -2.671 572 HD23 LEU 77 HD23 LEU 77 -6.724 -4.856 -2.634 573 H ILE 78 HN ILE 78 -7.409 -0.730 -3.356 574 HA ILE 78 HA ILE 78 -9.634 -0.917 -1.584 575 HB ILE 78 HB ILE 78 -7.276 0.975 -1.438 576 HG12 ILE 78 HG12 ILE 78 -7.715 -1.771 -0.239 577 HG13 ILE 78 HG11 ILE 78 -6.594 -1.379 -1.534 578 HG21 ILE 78 HG21 ILE 78 -7.798 1.082 0.955 579 HG22 ILE 78 HG22 ILE 78 -9.210 0.058 0.696 580 HG23 ILE 78 HG23 ILE 78 -9.147 1.670 -0.017 581 HD11 ILE 78 HD11 ILE 78 -5.344 0.055 0.027 582 HD12 ILE 78 HD12 ILE 78 -5.406 -1.636 0.526 583 HD13 ILE 78 HD13 ILE 78 -6.439 -0.446 1.320 584 H ASN 79 HN ASN 79 -8.518 1.539 -3.881 585 HA ASN 79 HA ASN 79 -10.380 3.548 -3.189 586 HB2 ASN 79 HB2 ASN 79 -8.851 2.897 -5.681 587 HB3 ASN 79 HB1 ASN 79 -10.154 4.074 -5.769 588 HD21 ASN 79 HD21 ASN 79 -7.998 3.592 -3.019 589 HD22 ASN 79 HD22 ASN 79 -7.223 5.135 -3.139 590 H GLY 80 HN GLY 80 -10.545 0.888 -5.529 591 HA2 GLY 80 HA2 GLY 80 -13.147 1.451 -6.467 592 HA3 GLY 80 HA1 GLY 80 -12.322 -0.096 -6.593 593 H ALA 81 HN ALA 81 -11.988 -0.469 -3.748 594 HA ALA 81 HA ALA 81 -14.479 -1.698 -3.159 595 HB1 ALA 81 HB1 ALA 81 -12.148 -1.176 -1.315 596 HB2 ALA 81 HB2 ALA 81 -12.339 -2.589 -2.352 597 HB3 ALA 81 HB3 ALA 81 -13.472 -2.305 -1.030 598 H LEU 82 HN LEU 82 -12.950 1.309 -2.154 599 HA LEU 82 HA LEU 82 -14.940 2.006 -0.233 600 HB2 LEU 82 HB2 LEU 82 -12.876 3.618 -1.719 601 HB3 LEU 82 HB1 LEU 82 -13.970 4.332 -0.550 602 HG LEU 82 HG LEU 82 -11.976 2.145 0.058 603 HD11 LEU 82 HD11 LEU 82 -10.857 4.247 -0.446 604 HD12 LEU 82 HD12 LEU 82 -10.758 3.886 1.276 605 HD13 LEU 82 HD13 LEU 82 -11.904 5.094 0.697 606 HD21 LEU 82 HD21 LEU 82 -13.713 3.790 1.894 607 HD22 LEU 82 HD22 LEU 82 -12.540 2.566 2.381 608 HD23 LEU 82 HD23 LEU 82 -13.980 2.097 1.477 609 H ALA 83 HN ALA 83 -14.532 2.466 -3.669 610 HA ALA 83 HA ALA 83 -16.544 4.416 -4.052 611 HB1 ALA 83 HB1 ALA 83 -15.442 2.394 -6.003 612 HB2 ALA 83 HB2 ALA 83 -14.811 4.015 -5.711 613 HB3 ALA 83 HB3 ALA 83 -16.411 3.804 -6.423 614 H GLU 84 HN GLU 84 -16.693 1.037 -3.456 615 HA GLU 84 HA GLU 84 -19.322 0.700 -4.610 616 HB2 GLU 84 HB2 GLU 84 -17.707 -1.150 -2.846 617 HB3 GLU 84 HB1 GLU 84 -19.201 -1.570 -3.670 618 HG2 GLU 84 HG2 GLU 84 -18.106 -1.183 -5.831 619 HG3 GLU 84 HG1 GLU 84 -16.601 -0.819 -4.991 620 H ALA 85 HN ALA 85 -18.214 2.187 -1.910 621 HA ALA 85 HA ALA 85 -20.490 1.367 -0.238 622 HB1 ALA 85 HB1 ALA 85 -19.281 2.338 1.640 623 HB2 ALA 85 HB2 ALA 85 -18.000 2.876 0.554 624 HB3 ALA 85 HB3 ALA 85 -18.273 1.152 0.807 625 H ALA 86 HN ALA 86 -21.950 2.865 0.498 626 HA ALA 86 HA ALA 86 -21.615 5.647 -0.367 627 HB1 ALA 86 HB1 ALA 86 -23.953 5.722 -1.106 628 HB2 ALA 86 HB2 ALA 86 -24.106 3.996 -0.781 629 HB3 ALA 86 HB3 ALA 86 -23.011 4.559 -2.043 630 H28 SXO 87 H28B SXO 87 5.967 -11.887 5.010 631 H28A SXO 87 H28A SXO 87 6.745 -13.390 5.512 632 H30 SXO 87 H30A SXO 87 4.101 -11.933 6.403 633 H30A SXO 87 H30C SXO 87 3.214 -13.427 6.720 634 H30B SXO 87 H30B SXO 87 4.894 -13.274 7.235 635 H31 SXO 87 H31A SXO 87 4.017 -13.497 3.081 636 H31A SXO 87 H31B SXO 87 3.556 -12.081 4.028 637 H31B SXO 87 H31C SXO 87 2.690 -13.602 4.235 638 H32 SXO 87 H32A SXO 87 5.314 -15.415 6.056 639 HO33 SXO 87 H33A SXO 87 4.691 -15.969 3.413 640 HN36 SXO 87 H36A SXO 87 3.199 -15.301 7.220 641 H37 SXO 87 H37A SXO 87 0.794 -16.090 5.837 642 H37A SXO 87 H37B SXO 87 1.512 -17.364 6.824 643 H38 SXO 87 H38B SXO 87 1.346 -14.866 8.261 644 H38A SXO 87 H38A SXO 87 0.733 -16.454 8.705 645 HN41 SXO 87 H41A SXO 87 -0.001 -14.396 5.984 646 H42 SXO 87 H42A SXO 87 -2.520 -14.663 5.400 647 H42A SXO 87 H42B SXO 87 -2.694 -13.778 6.919 648 H43 SXO 87 H43B SXO 87 -2.732 -12.305 4.913 649 H43A SXO 87 H43A SXO 87 -1.396 -11.930 6.016 650 H2 SXO 87 H2A SXO 87 1.082 -12.018 2.300 651 H2A SXO 87 H2B SXO 87 1.614 -10.582 3.166 652 H3 SXO 87 H3B SXO 87 1.160 -10.248 0.726 653 H3A SXO 87 H3A SXO 87 -0.544 -10.553 1.063 654 H4 SXO 87 H4A SXO 87 1.060 -8.406 2.443 655 H4A SXO 87 H4B SXO 87 -0.692 -8.627 2.456 656 H5 SXO 87 H5B SXO 87 0.957 -7.957 0.021 657 H5A SXO 87 H5A SXO 87 -0.800 -8.130 0.077 658 H6 SXO 87 H6A SXO 87 0.076 -5.762 0.141 659 H6A SXO 87 H6B SXO 87 0.712 -6.132 1.744 660 H7 SXO 87 H7A SXO 87 -1.407 -5.072 2.052 661 H7A SXO 87 H7B SXO 87 -1.624 -6.791 2.414 662 H8 SXO 87 H8C SXO 87 -3.455 -5.910 1.051 663 H8A SXO 87 H8A SXO 87 -2.542 -7.146 0.184 664 H8B SXO 87 H8B SXO 87 -2.299 -5.440 -0.195 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -17.453 14.533 5.110 2 H2 MET 1 HT2 MET 1 -16.030 13.835 5.710 3 H3 MET 1 HT3 MET 1 -17.388 12.864 5.406 4 HA MET 1 HA MET 1 -17.235 13.338 3.053 5 HB2 MET 1 HB2 MET 1 -14.728 14.811 3.907 6 HB3 MET 1 HB1 MET 1 -15.107 14.394 2.243 7 HG2 MET 1 HG2 MET 1 -16.759 16.182 4.010 8 HG3 MET 1 HG1 MET 1 -15.622 16.724 2.777 9 HE1 MET 1 HE1 MET 1 -17.553 18.209 1.648 10 HE2 MET 1 HE2 MET 1 -18.642 17.666 2.924 11 HE3 MET 1 HE3 MET 1 -19.141 17.563 1.236 12 H ALA 2 HN ALA 2 -16.416 11.634 1.932 13 HA ALA 2 HA ALA 2 -14.893 9.700 3.431 14 HB1 ALA 2 HB1 ALA 2 -15.215 8.244 1.510 15 HB2 ALA 2 HB2 ALA 2 -15.842 9.598 0.570 16 HB3 ALA 2 HB3 ALA 2 -16.736 9.006 1.971 17 H THR 3 HN THR 3 -12.836 10.429 3.739 18 HA THR 3 HA THR 3 -11.234 11.487 1.616 19 HB THR 3 HB THR 3 -9.353 11.117 3.303 20 HG1 THR 3 HG1 THR 3 -10.502 9.452 4.474 21 HG21 THR 3 HG21 THR 3 -10.510 13.273 3.048 22 HG22 THR 3 HG22 THR 3 -10.069 12.963 4.728 23 HG23 THR 3 HG23 THR 3 -11.736 12.741 4.199 24 H LEU 4 HN LEU 4 -10.772 10.176 -0.037 25 HA LEU 4 HA LEU 4 -10.427 7.347 0.324 26 HB2 LEU 4 HB2 LEU 4 -9.875 8.960 -2.157 27 HB3 LEU 4 HB1 LEU 4 -10.183 7.235 -2.054 28 HG LEU 4 HG LEU 4 -12.174 9.450 -1.546 29 HD11 LEU 4 HD11 LEU 4 -12.007 7.367 -3.715 30 HD12 LEU 4 HD12 LEU 4 -11.669 9.088 -3.898 31 HD13 LEU 4 HD13 LEU 4 -13.301 8.547 -3.507 32 HD21 LEU 4 HD21 LEU 4 -12.555 7.563 -0.032 33 HD22 LEU 4 HD22 LEU 4 -12.572 6.462 -1.409 34 HD23 LEU 4 HD23 LEU 4 -13.827 7.691 -1.246 35 H LEU 5 HN LEU 5 -8.464 6.334 -0.901 36 HA LEU 5 HA LEU 5 -6.119 7.236 0.515 37 HB2 LEU 5 HB2 LEU 5 -7.078 4.804 -0.209 38 HB3 LEU 5 HB1 LEU 5 -5.926 5.079 -1.498 39 HG LEU 5 HG LEU 5 -5.298 5.048 1.454 40 HD11 LEU 5 HD11 LEU 5 -5.814 2.844 0.604 41 HD12 LEU 5 HD12 LEU 5 -4.083 2.984 0.904 42 HD13 LEU 5 HD13 LEU 5 -4.702 3.073 -0.745 43 HD21 LEU 5 HD21 LEU 5 -3.445 5.285 -0.912 44 HD22 LEU 5 HD22 LEU 5 -2.976 5.205 0.787 45 HD23 LEU 5 HD23 LEU 5 -3.874 6.597 0.182 46 H THR 6 HN THR 6 -4.585 8.548 -0.336 47 HA THR 6 HA THR 6 -4.778 9.176 -3.194 48 HB THR 6 HB THR 6 -3.658 11.255 -2.708 49 HG1 THR 6 HG1 THR 6 -3.578 11.023 0.040 50 HG21 THR 6 HG21 THR 6 -6.064 11.224 -2.282 51 HG22 THR 6 HG22 THR 6 -5.245 12.302 -1.153 52 HG23 THR 6 HG23 THR 6 -5.774 10.706 -0.622 53 H THR 7 HN THR 7 -2.549 10.003 -4.056 54 HA THR 7 HA THR 7 -0.720 7.909 -4.240 55 HB THR 7 HB THR 7 0.843 9.856 -5.009 56 HG1 THR 7 HG1 THR 7 -0.052 11.710 -4.375 57 HG21 THR 7 HG21 THR 7 -0.295 8.319 -6.535 58 HG22 THR 7 HG22 THR 7 -0.322 9.965 -7.166 59 HG23 THR 7 HG23 THR 7 -1.769 9.284 -6.422 60 H ASP 8 HN ASP 8 -0.454 10.957 -2.472 61 HA ASP 8 HA ASP 8 2.075 10.421 -1.355 62 HB2 ASP 8 HB2 ASP 8 -0.061 12.376 -0.481 63 HB3 ASP 8 HB1 ASP 8 1.615 12.398 0.058 64 H ASP 9 HN ASP 9 -1.212 10.077 -0.054 65 HA ASP 9 HA ASP 9 -0.438 9.369 2.560 66 HB2 ASP 9 HB2 ASP 9 -2.929 8.853 0.964 67 HB3 ASP 9 HB1 ASP 9 -2.732 8.179 2.577 68 H LEU 10 HN LEU 10 -0.792 7.482 -0.374 69 HA LEU 10 HA LEU 10 -0.587 4.923 0.804 70 HB2 LEU 10 HB2 LEU 10 -1.071 5.821 -1.699 71 HB3 LEU 10 HB1 LEU 10 0.609 5.360 -1.873 72 HG LEU 10 HG LEU 10 -1.644 3.544 -1.018 73 HD11 LEU 10 HD11 LEU 10 -0.041 3.648 -3.565 74 HD12 LEU 10 HD12 LEU 10 -1.728 4.131 -3.376 75 HD13 LEU 10 HD13 LEU 10 -1.263 2.445 -3.154 76 HD21 LEU 10 HD21 LEU 10 1.268 2.922 -1.500 77 HD22 LEU 10 HD22 LEU 10 -0.003 1.743 -1.174 78 HD23 LEU 10 HD23 LEU 10 0.448 2.915 0.063 79 H ARG 11 HN ARG 11 1.810 7.017 -0.743 80 HA ARG 11 HA ARG 11 4.096 5.488 -0.281 81 HB2 ARG 11 HB2 ARG 11 3.989 7.441 -1.781 82 HB3 ARG 11 HB1 ARG 11 3.848 8.503 -0.391 83 HG2 ARG 11 HG2 ARG 11 6.080 7.794 0.353 84 HG3 ARG 11 HG1 ARG 11 6.217 6.783 -1.090 85 HD2 ARG 11 HD2 ARG 11 7.352 8.944 -1.382 86 HD3 ARG 11 HD1 ARG 11 6.013 8.745 -2.513 87 HE ARG 11 HE ARG 11 5.800 10.341 -0.030 88 HH11 ARG 11 HH11 ARG 11 5.231 9.931 -3.462 89 HH12 ARG 11 HH12 ARG 11 4.330 11.409 -3.621 90 HH21 ARG 11 HH21 ARG 11 4.613 12.277 -0.244 91 HH22 ARG 11 HH22 ARG 11 3.963 12.731 -1.794 92 H ARG 12 HN ARG 12 2.507 7.870 1.790 93 HA ARG 12 HA ARG 12 4.477 7.972 3.799 94 HB2 ARG 12 HB2 ARG 12 1.508 8.461 3.966 95 HB3 ARG 12 HB1 ARG 12 2.647 8.822 5.258 96 HG2 ARG 12 HG2 ARG 12 3.813 10.387 3.789 97 HG3 ARG 12 HG1 ARG 12 2.659 10.032 2.501 98 HD2 ARG 12 HD2 ARG 12 2.021 12.077 3.582 99 HD3 ARG 12 HD1 ARG 12 0.841 10.828 3.976 100 HE ARG 12 HE ARG 12 2.747 10.834 6.004 101 HH11 ARG 12 HH11 ARG 12 0.277 12.955 4.714 102 HH12 ARG 12 HH12 ARG 12 0.073 13.834 6.202 103 HH21 ARG 12 HH21 ARG 12 2.472 11.979 7.973 104 HH22 ARG 12 HH22 ARG 12 1.303 13.271 8.046 105 H ALA 13 HN ALA 13 1.683 5.855 3.352 106 HA ALA 13 HA ALA 13 1.728 4.627 5.874 107 HB1 ALA 13 HB1 ALA 13 -0.133 4.427 4.273 108 HB2 ALA 13 HB2 ALA 13 0.408 2.867 4.887 109 HB3 ALA 13 HB3 ALA 13 0.872 3.385 3.265 110 H LEU 14 HN LEU 14 3.545 3.986 2.942 111 HA LEU 14 HA LEU 14 4.814 1.606 3.790 112 HB2 LEU 14 HB2 LEU 14 5.413 3.715 1.758 113 HB3 LEU 14 HB1 LEU 14 6.680 2.584 2.185 114 HG LEU 14 HG LEU 14 5.564 1.834 0.186 115 HD11 LEU 14 HD11 LEU 14 4.895 -0.402 0.866 116 HD12 LEU 14 HD12 LEU 14 4.791 0.135 2.543 117 HD13 LEU 14 HD13 LEU 14 6.348 0.125 1.716 118 HD21 LEU 14 HD21 LEU 14 3.422 2.931 0.469 119 HD22 LEU 14 HD22 LEU 14 3.028 1.858 1.812 120 HD23 LEU 14 HD23 LEU 14 3.199 1.206 0.182 121 H VAL 15 HN VAL 15 5.874 4.991 3.886 122 HA VAL 15 HA VAL 15 8.340 4.495 5.170 123 HB VAL 15 HB VAL 15 6.714 7.050 5.078 124 HG11 VAL 15 HG11 VAL 15 9.631 6.628 5.733 125 HG12 VAL 15 HG12 VAL 15 8.370 7.151 6.849 126 HG13 VAL 15 HG13 VAL 15 8.848 8.194 5.510 127 HG21 VAL 15 HG21 VAL 15 7.231 6.229 2.857 128 HG22 VAL 15 HG22 VAL 15 8.932 6.053 3.290 129 HG23 VAL 15 HG23 VAL 15 8.202 7.657 3.216 130 H GLU 16 HN GLU 16 5.147 5.387 6.455 131 HA GLU 16 HA GLU 16 5.970 5.824 9.112 132 HB2 GLU 16 HB2 GLU 16 3.317 5.037 7.917 133 HB3 GLU 16 HB1 GLU 16 3.525 5.292 9.646 134 HG2 GLU 16 HG2 GLU 16 4.168 7.583 9.282 135 HG3 GLU 16 HG1 GLU 16 4.152 7.345 7.536 136 H SER 17 HN SER 17 5.306 2.885 7.355 137 HA SER 17 HA SER 17 5.500 1.237 9.733 138 HB2 SER 17 HB2 SER 17 5.489 0.391 6.824 139 HB3 SER 17 HB1 SER 17 5.195 -0.637 8.229 140 HG SER 17 HG SER 17 3.521 1.190 6.975 141 H ALA 18 HN ALA 18 7.435 2.035 6.893 142 HA ALA 18 HA ALA 18 9.893 1.571 8.337 143 HB1 ALA 18 HB1 ALA 18 10.797 -0.065 6.764 144 HB2 ALA 18 HB2 ALA 18 9.251 -0.103 5.913 145 HB3 ALA 18 HB3 ALA 18 9.361 -0.695 7.572 146 H GLY 19 HN GLY 19 10.753 3.524 7.871 147 HA2 GLY 19 HA2 GLY 19 10.807 4.319 5.030 148 HA3 GLY 19 HA1 GLY 19 10.445 5.469 6.307 149 H GLU 20 HN GLU 20 12.959 3.184 5.276 150 HA GLU 20 HA GLU 20 15.008 4.665 6.669 151 HB2 GLU 20 HB2 GLU 20 15.157 2.211 6.432 152 HB3 GLU 20 HB1 GLU 20 15.244 2.391 4.684 153 HG2 GLU 20 HG2 GLU 20 17.363 3.467 4.826 154 HG3 GLU 20 HG1 GLU 20 17.248 3.578 6.582 155 H THR 21 HN THR 21 15.959 6.432 5.891 156 HA THR 21 HA THR 21 15.493 7.151 3.098 157 HB THR 21 HB THR 21 16.508 9.378 3.940 158 HG1 THR 21 HG1 THR 21 17.279 8.943 5.926 159 HG21 THR 21 HG21 THR 21 14.131 9.031 3.389 160 HG22 THR 21 HG22 THR 21 14.334 10.110 4.768 161 HG23 THR 21 HG23 THR 21 13.851 8.433 5.025 162 H ASP 22 HN ASP 22 17.665 5.332 4.323 163 HA ASP 22 HA ASP 22 20.127 6.657 3.673 164 HB2 ASP 22 HB2 ASP 22 19.492 3.797 4.421 165 HB3 ASP 22 HB1 ASP 22 21.123 4.379 4.102 166 H GLY 23 HN GLY 23 18.239 4.001 2.243 167 HA2 GLY 23 HA2 GLY 23 19.431 4.663 -0.348 168 HA3 GLY 23 HA1 GLY 23 19.646 3.026 0.254 169 H THR 24 HN THR 24 16.698 4.530 1.118 170 HA THR 24 HA THR 24 15.322 2.914 -0.917 171 HB THR 24 HB THR 24 14.213 3.852 1.742 172 HG1 THR 24 HG1 THR 24 14.506 1.236 1.748 173 HG21 THR 24 HG21 THR 24 12.501 3.400 0.058 174 HG22 THR 24 HG22 THR 24 12.475 2.163 1.315 175 HG23 THR 24 HG23 THR 24 13.206 1.813 -0.251 176 H ASP 25 HN ASP 25 15.059 4.351 -2.558 177 HA ASP 25 HA ASP 25 14.084 7.055 -1.945 178 HB2 ASP 25 HB2 ASP 25 16.114 6.728 -3.408 179 HB3 ASP 25 HB1 ASP 25 15.053 5.985 -4.602 180 H LEU 26 HN LEU 26 11.979 7.407 -2.088 181 HA LEU 26 HA LEU 26 10.392 5.791 -3.972 182 HB2 LEU 26 HB2 LEU 26 9.544 7.044 -1.358 183 HB3 LEU 26 HB1 LEU 26 8.471 6.204 -2.461 184 HG LEU 26 HG LEU 26 10.798 4.969 -0.993 185 HD11 LEU 26 HD11 LEU 26 9.053 3.752 0.239 186 HD12 LEU 26 HD12 LEU 26 7.824 4.715 -0.582 187 HD13 LEU 26 HD13 LEU 26 8.975 5.494 0.504 188 HD21 LEU 26 HD21 LEU 26 10.442 3.917 -3.158 189 HD22 LEU 26 HD22 LEU 26 8.730 3.710 -2.791 190 HD23 LEU 26 HD23 LEU 26 9.943 2.845 -1.849 191 H SER 27 HN SER 27 11.796 8.273 -4.569 192 HA SER 27 HA SER 27 9.750 10.346 -4.591 193 HB2 SER 27 HB2 SER 27 12.411 10.595 -5.958 194 HB3 SER 27 HB1 SER 27 11.470 11.828 -5.117 195 HG SER 27 HG SER 27 13.049 9.747 -4.033 196 H GLY 28 HN GLY 28 10.547 7.763 -6.527 197 HA2 GLY 28 HA2 GLY 28 9.914 9.156 -9.033 198 HA3 GLY 28 HA1 GLY 28 10.711 7.598 -8.911 199 H ASP 29 HN ASP 29 9.147 6.934 -10.519 200 HA ASP 29 HA ASP 29 6.355 6.857 -9.910 201 HB2 ASP 29 HB2 ASP 29 7.825 5.212 -11.981 202 HB3 ASP 29 HB1 ASP 29 6.117 5.633 -11.969 203 H PHE 30 HN PHE 30 6.520 5.833 -7.790 204 HA PHE 30 HA PHE 30 7.562 3.182 -7.561 205 HB2 PHE 30 HB2 PHE 30 6.792 3.239 -5.269 206 HB3 PHE 30 HB1 PHE 30 7.538 4.781 -5.662 207 HD1 PHE 30 HD2 PHE 30 5.937 6.710 -6.316 208 HD2 PHE 30 HD1 PHE 30 4.693 3.167 -4.310 209 HE1 PHE 30 HE2 PHE 30 3.908 7.869 -5.540 210 HE2 PHE 30 HE1 PHE 30 2.662 4.317 -3.526 211 HZ PHE 30 HZ PHE 30 2.267 6.670 -4.146 212 H LEU 31 HN LEU 31 4.472 4.536 -8.298 213 HA LEU 31 HA LEU 31 2.750 2.487 -7.558 214 HB2 LEU 31 HB2 LEU 31 2.578 4.427 -9.854 215 HB3 LEU 31 HB1 LEU 31 1.264 3.374 -9.368 216 HG LEU 31 HG LEU 31 2.522 5.469 -7.596 217 HD11 LEU 31 HD11 LEU 31 1.310 6.455 -9.485 218 HD12 LEU 31 HD12 LEU 31 0.491 6.741 -7.949 219 HD13 LEU 31 HD13 LEU 31 -0.114 5.505 -9.053 220 HD21 LEU 31 HD21 LEU 31 0.088 3.720 -7.243 221 HD22 LEU 31 HD22 LEU 31 0.544 5.050 -6.179 222 HD23 LEU 31 HD23 LEU 31 1.587 3.634 -6.320 223 H ASP 32 HN ASP 32 4.879 2.692 -10.322 224 HA ASP 32 HA ASP 32 3.618 0.386 -11.595 225 HB2 ASP 32 HB2 ASP 32 5.751 2.320 -12.478 226 HB3 ASP 32 HB1 ASP 32 5.417 0.840 -13.369 227 H LEU 33 HN LEU 33 6.026 0.955 -9.356 228 HA LEU 33 HA LEU 33 7.703 -1.278 -10.204 229 HB2 LEU 33 HB2 LEU 33 7.936 0.591 -7.845 230 HB3 LEU 33 HB1 LEU 33 9.084 -0.674 -8.233 231 HG LEU 33 HG LEU 33 8.479 1.704 -9.992 232 HD11 LEU 33 HD11 LEU 33 10.721 2.466 -9.340 233 HD12 LEU 33 HD12 LEU 33 10.825 1.132 -8.191 234 HD13 LEU 33 HD13 LEU 33 9.615 2.394 -7.969 235 HD21 LEU 33 HD21 LEU 33 9.183 -0.257 -11.266 236 HD22 LEU 33 HD22 LEU 33 10.587 -0.445 -10.213 237 HD23 LEU 33 HD23 LEU 33 10.446 0.974 -11.252 238 H ARG 34 HN ARG 34 7.782 -3.247 -9.168 239 HA ARG 34 HA ARG 34 5.521 -3.952 -7.552 240 HB2 ARG 34 HB2 ARG 34 8.027 -5.570 -8.024 241 HB3 ARG 34 HB1 ARG 34 6.464 -6.169 -7.496 242 HG2 ARG 34 HG2 ARG 34 5.501 -5.864 -9.615 243 HG3 ARG 34 HG1 ARG 34 6.831 -4.835 -10.157 244 HD2 ARG 34 HD2 ARG 34 6.906 -7.795 -9.611 245 HD3 ARG 34 HD1 ARG 34 7.121 -6.981 -11.162 246 HE ARG 34 HE ARG 34 9.154 -5.938 -10.062 247 HH11 ARG 34 HH11 ARG 34 7.942 -9.109 -9.160 248 HH12 ARG 34 HH12 ARG 34 9.480 -9.665 -8.576 249 HH21 ARG 34 HH21 ARG 34 11.165 -6.649 -9.277 250 HH22 ARG 34 HH22 ARG 34 11.326 -8.281 -8.670 251 H PHE 35 HN PHE 35 5.776 -5.025 -5.420 252 HA PHE 35 HA PHE 35 7.045 -3.375 -3.560 253 HB2 PHE 35 HB2 PHE 35 6.142 -6.238 -3.211 254 HB3 PHE 35 HB1 PHE 35 6.486 -5.103 -1.907 255 HD1 PHE 35 HD2 PHE 35 5.155 -2.873 -1.962 256 HD2 PHE 35 HD1 PHE 35 3.989 -6.401 -4.031 257 HE1 PHE 35 HE2 PHE 35 2.856 -2.014 -2.109 258 HE2 PHE 35 HE1 PHE 35 1.688 -5.547 -4.193 259 HZ PHE 35 HZ PHE 35 1.118 -3.352 -3.234 260 H GLU 36 HN GLU 36 8.173 -6.361 -5.088 261 HA GLU 36 HA GLU 36 10.544 -6.683 -3.626 262 HB2 GLU 36 HB2 GLU 36 9.888 -7.374 -6.485 263 HB3 GLU 36 HB1 GLU 36 11.420 -7.785 -5.731 264 HG2 GLU 36 HG2 GLU 36 9.994 -8.966 -3.953 265 HG3 GLU 36 HG1 GLU 36 8.684 -8.838 -5.129 266 H ASP 37 HN ASP 37 9.724 -4.470 -6.210 267 HA ASP 37 HA ASP 37 12.483 -3.913 -6.876 268 HB2 ASP 37 HB2 ASP 37 9.961 -2.520 -7.811 269 HB3 ASP 37 HB1 ASP 37 11.566 -2.315 -8.499 270 H ILE 38 HN ILE 38 9.971 -2.531 -4.898 271 HA ILE 38 HA ILE 38 11.500 -0.097 -4.490 272 HB ILE 38 HB ILE 38 9.679 0.567 -2.946 273 HG12 ILE 38 HG12 ILE 38 8.419 -2.046 -3.817 274 HG13 ILE 38 HG11 ILE 38 8.998 -1.671 -2.198 275 HG21 ILE 38 HG21 ILE 38 9.602 1.194 -5.288 276 HG22 ILE 38 HG22 ILE 38 7.975 0.872 -4.689 277 HG23 ILE 38 HG23 ILE 38 8.800 -0.325 -5.688 278 HD11 ILE 38 HD11 ILE 38 6.731 -0.290 -3.618 279 HD12 ILE 38 HD12 ILE 38 7.312 0.081 -1.995 280 HD13 ILE 38 HD13 ILE 38 6.581 -1.488 -2.333 281 H GLY 39 HN GLY 39 11.973 -3.073 -3.485 282 HA2 GLY 39 HA2 GLY 39 13.242 -3.981 -1.820 283 HA3 GLY 39 HA1 GLY 39 13.766 -2.343 -1.470 284 H TYR 40 HN TYR 40 10.560 -3.886 -1.161 285 HA TYR 40 HA TYR 40 10.702 -3.243 1.704 286 HB2 TYR 40 HB2 TYR 40 8.493 -3.020 -0.263 287 HB3 TYR 40 HB1 TYR 40 8.062 -3.549 1.362 288 HD1 TYR 40 HD1 TYR 40 9.420 -0.767 -0.635 289 HD2 TYR 40 HD2 TYR 40 8.229 -2.056 3.242 290 HE1 TYR 40 HE1 TYR 40 9.472 1.559 0.152 291 HE2 TYR 40 HE2 TYR 40 8.279 0.270 4.035 292 HH TYR 40 HH TYR 40 9.239 2.383 3.479 293 H ASP 41 HN ASP 41 10.939 -4.875 2.971 294 HA ASP 41 HA ASP 41 10.749 -7.573 2.216 295 HB2 ASP 41 HB2 ASP 41 10.800 -6.296 4.956 296 HB3 ASP 41 HB1 ASP 41 10.932 -8.027 4.676 297 H SER 42 HN SER 42 9.268 -9.169 2.718 298 HA SER 42 HA SER 42 6.566 -8.672 2.520 299 HB2 SER 42 HB2 SER 42 6.316 -11.011 3.451 300 HB3 SER 42 HB1 SER 42 7.463 -10.874 2.110 301 H LEU 43 HN LEU 43 8.486 -9.207 5.447 302 HA LEU 43 HA LEU 43 6.491 -9.111 7.367 303 HB2 LEU 43 HB2 LEU 43 8.843 -9.689 7.798 304 HB3 LEU 43 HB1 LEU 43 9.297 -8.014 7.554 305 HG LEU 43 HG LEU 43 7.809 -7.444 9.524 306 HD11 LEU 43 HD11 LEU 43 6.491 -9.517 9.498 307 HD12 LEU 43 HD12 LEU 43 7.249 -9.234 11.065 308 HD13 LEU 43 HD13 LEU 43 7.929 -10.426 9.957 309 HD21 LEU 43 HD21 LEU 43 9.489 -8.093 11.159 310 HD22 LEU 43 HD22 LEU 43 10.257 -7.544 9.670 311 HD23 LEU 43 HD23 LEU 43 10.159 -9.269 10.029 312 H ALA 44 HN ALA 44 8.430 -6.411 6.102 313 HA ALA 44 HA ALA 44 7.097 -4.394 7.566 314 HB1 ALA 44 HB1 ALA 44 9.330 -4.098 6.591 315 HB2 ALA 44 HB2 ALA 44 8.216 -2.832 6.076 316 HB3 ALA 44 HB3 ALA 44 8.624 -4.148 4.975 317 H LEU 45 HN LEU 45 6.449 -5.971 4.533 318 HA LEU 45 HA LEU 45 4.681 -4.034 3.476 319 HB2 LEU 45 HB2 LEU 45 5.858 -5.773 2.156 320 HB3 LEU 45 HB1 LEU 45 4.807 -6.981 2.865 321 HG LEU 45 HG LEU 45 2.871 -5.996 1.786 322 HD11 LEU 45 HD11 LEU 45 4.803 -3.981 0.649 323 HD12 LEU 45 HD12 LEU 45 3.550 -3.657 1.846 324 HD13 LEU 45 HD13 LEU 45 3.103 -4.143 0.210 325 HD21 LEU 45 HD21 LEU 45 4.145 -7.655 0.549 326 HD22 LEU 45 HD22 LEU 45 5.178 -6.389 -0.112 327 HD23 LEU 45 HD23 LEU 45 3.469 -6.449 -0.546 328 H MET 46 HN MET 46 4.102 -7.031 5.335 329 HA MET 46 HA MET 46 1.276 -6.771 5.226 330 HB2 MET 46 HB2 MET 46 1.150 -8.513 6.865 331 HB3 MET 46 HB1 MET 46 2.444 -8.915 5.748 332 HG2 MET 46 HG2 MET 46 4.107 -8.371 7.336 333 HG3 MET 46 HG1 MET 46 2.934 -7.597 8.401 334 HE1 MET 46 HE1 MET 46 3.490 -8.877 10.577 335 HE2 MET 46 HE2 MET 46 4.883 -9.543 9.726 336 HE3 MET 46 HE3 MET 46 3.819 -10.609 10.643 337 H GLU 47 HN GLU 47 3.736 -5.496 7.355 338 HA GLU 47 HA GLU 47 2.010 -4.426 9.324 339 HB2 GLU 47 HB2 GLU 47 4.780 -3.648 8.412 340 HB3 GLU 47 HB1 GLU 47 3.951 -2.824 9.727 341 HG2 GLU 47 HG2 GLU 47 4.573 -5.764 9.641 342 HG3 GLU 47 HG1 GLU 47 5.511 -4.548 10.512 343 H THR 48 HN THR 48 3.219 -3.218 6.255 344 HA THR 48 HA THR 48 2.210 -0.592 6.414 345 HB THR 48 HB THR 48 2.660 -2.271 3.935 346 HG1 THR 48 HG1 THR 48 4.540 -2.071 5.280 347 HG21 THR 48 HG21 THR 48 2.956 -0.113 2.809 348 HG22 THR 48 HG22 THR 48 2.560 0.724 4.311 349 HG23 THR 48 HG23 THR 48 1.341 -0.261 3.503 350 H ALA 49 HN ALA 49 0.771 -3.627 5.334 351 HA ALA 49 HA ALA 49 -1.546 -2.655 4.128 352 HB1 ALA 49 HB1 ALA 49 -1.227 -5.187 5.730 353 HB2 ALA 49 HB2 ALA 49 -0.829 -4.995 4.023 354 HB3 ALA 49 HB3 ALA 49 -2.503 -4.852 4.562 355 H ALA 50 HN ALA 50 -0.884 -3.410 7.510 356 HA ALA 50 HA ALA 50 -3.488 -3.089 8.511 357 HB1 ALA 50 HB1 ALA 50 -2.439 -2.940 10.707 358 HB2 ALA 50 HB2 ALA 50 -0.866 -2.686 9.950 359 HB3 ALA 50 HB3 ALA 50 -1.702 -4.226 9.750 360 H ARG 51 HN ARG 51 -0.961 -0.831 7.760 361 HA ARG 51 HA ARG 51 -1.814 1.420 9.185 362 HB2 ARG 51 HB2 ARG 51 -0.442 1.190 6.506 363 HB3 ARG 51 HB1 ARG 51 -0.665 2.704 7.359 364 HG2 ARG 51 HG2 ARG 51 0.840 0.347 8.446 365 HG3 ARG 51 HG1 ARG 51 1.580 1.724 7.631 366 HD2 ARG 51 HD2 ARG 51 0.679 3.217 9.344 367 HD3 ARG 51 HD1 ARG 51 -0.049 1.835 10.162 368 HE ARG 51 HE ARG 51 2.676 1.325 9.849 369 HH11 ARG 51 HH11 ARG 51 0.617 3.568 11.570 370 HH12 ARG 51 HH12 ARG 51 1.704 3.726 12.916 371 HH21 ARG 51 HH21 ARG 51 4.109 1.563 11.623 372 HH22 ARG 51 HH22 ARG 51 3.669 2.597 12.939 373 H LEU 52 HN LEU 52 -2.557 0.443 5.845 374 HA LEU 52 HA LEU 52 -4.171 2.664 5.257 375 HB2 LEU 52 HB2 LEU 52 -4.260 -0.088 4.024 376 HB3 LEU 52 HB1 LEU 52 -4.940 1.373 3.333 377 HG LEU 52 HG LEU 52 -2.002 0.887 3.831 378 HD11 LEU 52 HD11 LEU 52 -2.890 -0.500 2.028 379 HD12 LEU 52 HD12 LEU 52 -1.828 0.761 1.403 380 HD13 LEU 52 HD13 LEU 52 -3.577 0.931 1.260 381 HD21 LEU 52 HD21 LEU 52 -1.698 2.947 2.511 382 HD22 LEU 52 HD22 LEU 52 -2.554 3.235 4.026 383 HD23 LEU 52 HD23 LEU 52 -3.446 3.181 2.507 384 H GLU 53 HN GLU 53 -4.996 -0.580 6.402 385 HA GLU 53 HA GLU 53 -7.778 -0.309 6.278 386 HB2 GLU 53 HB2 GLU 53 -6.076 -1.994 8.115 387 HB3 GLU 53 HB1 GLU 53 -7.819 -2.160 7.940 388 HG2 GLU 53 HG2 GLU 53 -7.540 -2.704 5.581 389 HG3 GLU 53 HG1 GLU 53 -5.796 -2.522 5.747 390 H SER 54 HN SER 54 -5.626 0.090 9.109 391 HA SER 54 HA SER 54 -7.679 0.928 10.857 392 HB2 SER 54 HB2 SER 54 -5.493 0.006 11.589 393 HB3 SER 54 HB1 SER 54 -4.702 1.478 11.031 394 HG SER 54 HG SER 54 -6.718 1.337 13.045 395 H ARG 55 HN ARG 55 -5.662 2.650 8.599 396 HA ARG 55 HA ARG 55 -5.897 5.247 9.711 397 HB2 ARG 55 HB2 ARG 55 -4.142 4.400 8.121 398 HB3 ARG 55 HB1 ARG 55 -5.339 4.475 6.845 399 HG2 ARG 55 HG2 ARG 55 -5.402 6.824 6.899 400 HG3 ARG 55 HG1 ARG 55 -4.528 6.891 8.436 401 HD2 ARG 55 HD2 ARG 55 -2.532 6.037 7.413 402 HD3 ARG 55 HD1 ARG 55 -3.381 5.722 5.906 403 HE ARG 55 HE ARG 55 -3.624 8.236 5.782 404 HH11 ARG 55 HH11 ARG 55 -1.034 6.747 7.606 405 HH12 ARG 55 HH12 ARG 55 0.145 7.964 7.202 406 HH21 ARG 55 HH21 ARG 55 -2.054 9.857 5.222 407 HH22 ARG 55 HH22 ARG 55 -0.453 9.724 5.885 408 H TYR 56 HN TYR 56 -7.769 3.496 7.255 409 HA TYR 56 HA TYR 56 -9.545 5.845 7.082 410 HB2 TYR 56 HB2 TYR 56 -8.944 3.775 4.967 411 HB3 TYR 56 HB1 TYR 56 -10.123 5.075 4.800 412 HD1 TYR 56 HD2 TYR 56 -9.255 7.483 5.075 413 HD2 TYR 56 HD1 TYR 56 -6.709 4.145 4.379 414 HE1 TYR 56 HE2 TYR 56 -7.477 9.000 4.319 415 HE2 TYR 56 HE1 TYR 56 -4.922 5.658 3.628 416 HH TYR 56 HH TYR 56 -4.703 7.939 2.713 417 H GLY 57 HN GLY 57 -9.433 2.979 8.523 418 HA2 GLY 57 HA2 GLY 57 -11.065 1.698 9.520 419 HA3 GLY 57 HA1 GLY 57 -12.241 2.868 8.940 420 H VAL 58 HN VAL 58 -10.022 0.960 6.962 421 HA VAL 58 HA VAL 58 -12.375 -0.254 5.677 422 HB VAL 58 HB VAL 58 -10.944 -0.657 3.705 423 HG11 VAL 58 HG11 VAL 58 -10.793 1.660 2.947 424 HG12 VAL 58 HG12 VAL 58 -10.982 2.216 4.611 425 HG13 VAL 58 HG13 VAL 58 -12.300 1.358 3.811 426 HG21 VAL 58 HG21 VAL 58 -8.760 0.428 3.522 427 HG22 VAL 58 HG22 VAL 58 -8.773 -0.777 4.809 428 HG23 VAL 58 HG23 VAL 58 -8.868 0.939 5.207 429 H SER 59 HN SER 59 -11.295 -2.336 4.366 430 HA SER 59 HA SER 59 -9.615 -3.918 6.090 431 HB2 SER 59 HB2 SER 59 -11.340 -5.792 6.111 432 HB3 SER 59 HB1 SER 59 -11.694 -4.421 7.160 433 HG SER 59 HG SER 59 -12.703 -4.655 4.521 434 H ILE 60 HN ILE 60 -8.325 -5.112 4.844 435 HA ILE 60 HA ILE 60 -8.930 -5.239 1.987 436 HB ILE 60 HB ILE 60 -6.398 -6.001 3.458 437 HG12 ILE 60 HG12 ILE 60 -7.081 -3.495 1.896 438 HG13 ILE 60 HG11 ILE 60 -6.939 -3.605 3.649 439 HG21 ILE 60 HG21 ILE 60 -6.889 -5.610 0.504 440 HG22 ILE 60 HG22 ILE 60 -6.639 -7.157 1.313 441 HG23 ILE 60 HG23 ILE 60 -5.336 -5.972 1.263 442 HD11 ILE 60 HD11 ILE 60 -4.723 -4.028 1.656 443 HD12 ILE 60 HD12 ILE 60 -4.569 -4.189 3.406 444 HD13 ILE 60 HD13 ILE 60 -4.952 -2.622 2.693 445 HA PRO 61 HA PRO 61 -10.570 -9.350 2.208 446 HB2 PRO 61 HB2 PRO 61 -9.336 -9.569 -0.496 447 HB3 PRO 61 HB1 PRO 61 -10.986 -9.932 0.022 448 HG2 PRO 61 HG2 PRO 61 -10.447 -7.715 -1.340 449 HG3 PRO 61 HG1 PRO 61 -11.625 -7.708 -0.015 450 HD2 PRO 61 HD2 PRO 61 -8.830 -6.660 -0.067 451 HD3 PRO 61 HD1 PRO 61 -10.258 -6.032 0.781 452 H ASP 62 HN ASP 62 -9.875 -11.272 2.808 453 HA ASP 62 HA ASP 62 -7.320 -11.619 3.786 454 HB2 ASP 62 HB2 ASP 62 -9.271 -12.839 4.593 455 HB3 ASP 62 HB1 ASP 62 -9.370 -13.722 3.076 456 H ASP 63 HN ASP 63 -8.691 -13.177 0.886 457 HA ASP 63 HA ASP 63 -6.175 -14.406 0.242 458 HB2 ASP 63 HB2 ASP 63 -8.236 -15.570 -0.300 459 HB3 ASP 63 HB1 ASP 63 -8.766 -14.230 -1.311 460 H VAL 64 HN VAL 64 -7.980 -11.601 -0.864 461 HA VAL 64 HA VAL 64 -6.457 -11.225 -3.244 462 HB VAL 64 HB VAL 64 -8.201 -9.226 -1.800 463 HG11 VAL 64 HG11 VAL 64 -6.746 -8.179 -3.464 464 HG12 VAL 64 HG12 VAL 64 -8.433 -8.146 -3.978 465 HG13 VAL 64 HG13 VAL 64 -7.321 -9.316 -4.686 466 HG21 VAL 64 HG21 VAL 64 -9.426 -11.265 -2.297 467 HG22 VAL 64 HG22 VAL 64 -8.910 -11.176 -3.982 468 HG23 VAL 64 HG23 VAL 64 -9.973 -9.935 -3.318 469 H ALA 65 HN ALA 65 -5.928 -10.409 0.043 470 HA ALA 65 HA ALA 65 -4.423 -8.064 -0.185 471 HB1 ALA 65 HB1 ALA 65 -4.099 -10.261 1.848 472 HB2 ALA 65 HB2 ALA 65 -5.234 -8.916 1.959 473 HB3 ALA 65 HB3 ALA 65 -3.498 -8.608 1.999 474 H GLY 66 HN GLY 66 -3.437 -11.435 -0.354 475 HA2 GLY 66 HA2 GLY 66 -0.656 -10.634 -0.806 476 HA3 GLY 66 HA1 GLY 66 -1.222 -12.263 -0.471 477 H ARG 67 HN ARG 67 -2.626 -10.133 -2.894 478 HA ARG 67 HA ARG 67 -1.372 -11.774 -4.986 479 HB2 ARG 67 HB2 ARG 67 -4.304 -11.020 -4.949 480 HB3 ARG 67 HB1 ARG 67 -3.483 -11.974 -6.177 481 HG2 ARG 67 HG2 ARG 67 -3.010 -13.700 -4.489 482 HG3 ARG 67 HG1 ARG 67 -3.914 -12.758 -3.304 483 HD2 ARG 67 HD2 ARG 67 -5.436 -14.357 -4.069 484 HD3 ARG 67 HD1 ARG 67 -5.859 -12.891 -4.948 485 HE ARG 67 HE ARG 67 -4.334 -13.969 -6.752 486 HH11 ARG 67 HH11 ARG 67 -6.555 -15.628 -4.615 487 HH12 ARG 67 HH12 ARG 67 -6.810 -16.952 -5.714 488 HH21 ARG 67 HH21 ARG 67 -4.669 -15.704 -8.210 489 HH22 ARG 67 HH22 ARG 67 -5.758 -16.993 -7.767 490 H VAL 68 HN VAL 68 -1.477 -8.851 -3.788 491 HA VAL 68 HA VAL 68 -1.797 -7.411 -6.309 492 HB VAL 68 HB VAL 68 -1.343 -5.369 -4.926 493 HG11 VAL 68 HG11 VAL 68 -3.511 -5.418 -3.751 494 HG12 VAL 68 HG12 VAL 68 -3.595 -7.158 -4.021 495 HG13 VAL 68 HG13 VAL 68 -3.619 -6.051 -5.394 496 HG21 VAL 68 HG21 VAL 68 -0.032 -6.418 -3.146 497 HG22 VAL 68 HG22 VAL 68 -1.457 -7.314 -2.622 498 HG23 VAL 68 HG23 VAL 68 -1.423 -5.556 -2.486 499 H ASP 69 HN ASP 69 -0.111 -6.763 -7.535 500 HA ASP 69 HA ASP 69 2.541 -7.615 -6.622 501 HB2 ASP 69 HB2 ASP 69 1.556 -8.459 -8.784 502 HB3 ASP 69 HB1 ASP 69 1.710 -6.822 -9.414 503 H THR 70 HN THR 70 0.949 -4.816 -8.108 504 HA THR 70 HA THR 70 3.234 -3.179 -7.228 505 HB THR 70 HB THR 70 2.580 -1.564 -8.999 506 HG1 THR 70 HG1 THR 70 0.771 -3.660 -9.721 507 HG21 THR 70 HG21 THR 70 4.347 -3.204 -9.442 508 HG22 THR 70 HG22 THR 70 3.416 -2.870 -10.904 509 HG23 THR 70 HG23 THR 70 3.140 -4.360 -10.002 510 HA PRO 71 HA PRO 71 0.736 -0.629 -4.530 511 HB2 PRO 71 HB2 PRO 71 1.759 1.594 -6.254 512 HB3 PRO 71 HB1 PRO 71 1.691 1.485 -4.491 513 HG2 PRO 71 HG2 PRO 71 3.986 1.085 -5.749 514 HG3 PRO 71 HG1 PRO 71 3.526 0.047 -4.387 515 HD2 PRO 71 HD2 PRO 71 3.514 -0.546 -7.308 516 HD3 PRO 71 HD1 PRO 71 3.852 -1.618 -5.936 517 H ARG 72 HN ARG 72 0.647 0.109 -8.012 518 HA ARG 72 HA ARG 72 -1.675 1.599 -8.175 519 HB2 ARG 72 HB2 ARG 72 -0.269 1.212 -10.109 520 HB3 ARG 72 HB1 ARG 72 -0.640 -0.500 -10.080 521 HG2 ARG 72 HG2 ARG 72 -2.918 -0.094 -10.686 522 HG3 ARG 72 HG1 ARG 72 -2.703 1.650 -10.524 523 HD2 ARG 72 HD2 ARG 72 -1.193 -0.054 -12.488 524 HD3 ARG 72 HD1 ARG 72 -2.689 0.793 -12.873 525 HE ARG 72 HE ARG 72 -1.479 2.880 -12.269 526 HH11 ARG 72 HH11 ARG 72 0.330 0.068 -13.427 527 HH12 ARG 72 HH12 ARG 72 1.705 1.022 -13.893 528 HH21 ARG 72 HH21 ARG 72 0.314 4.082 -12.940 529 HH22 ARG 72 HH22 ARG 72 1.703 3.280 -13.608 530 H GLU 73 HN GLU 73 -1.330 -1.911 -8.330 531 HA GLU 73 HA GLU 73 -4.045 -2.556 -8.639 532 HB2 GLU 73 HB2 GLU 73 -1.840 -4.152 -7.330 533 HB3 GLU 73 HB1 GLU 73 -3.391 -4.799 -7.847 534 HG2 GLU 73 HG2 GLU 73 -2.870 -4.625 -10.084 535 HG3 GLU 73 HG1 GLU 73 -1.630 -3.398 -9.804 536 H LEU 74 HN LEU 74 -2.025 -2.422 -5.732 537 HA LEU 74 HA LEU 74 -3.931 -3.177 -3.846 538 HB2 LEU 74 HB2 LEU 74 -1.308 -2.532 -3.774 539 HB3 LEU 74 HB1 LEU 74 -1.989 -1.074 -3.081 540 HG LEU 74 HG LEU 74 -2.426 -3.867 -2.007 541 HD11 LEU 74 HD11 LEU 74 -0.653 -1.619 -1.070 542 HD12 LEU 74 HD12 LEU 74 -0.140 -3.193 -1.678 543 HD13 LEU 74 HD13 LEU 74 -1.002 -3.079 -0.143 544 HD21 LEU 74 HD21 LEU 74 -3.166 -1.180 -0.854 545 HD22 LEU 74 HD22 LEU 74 -3.418 -2.749 -0.089 546 HD23 LEU 74 HD23 LEU 74 -4.296 -2.333 -1.562 547 H LEU 75 HN LEU 75 -2.973 0.096 -4.873 548 HA LEU 75 HA LEU 75 -4.845 1.537 -3.381 549 HB2 LEU 75 HB2 LEU 75 -2.908 2.532 -4.494 550 HB3 LEU 75 HB1 LEU 75 -3.617 2.182 -6.057 551 HG LEU 75 HG LEU 75 -5.489 3.728 -5.509 552 HD11 LEU 75 HD11 LEU 75 -5.248 5.270 -3.651 553 HD12 LEU 75 HD12 LEU 75 -3.778 4.444 -3.136 554 HD13 LEU 75 HD13 LEU 75 -5.330 3.607 -3.068 555 HD21 LEU 75 HD21 LEU 75 -4.170 5.786 -5.799 556 HD22 LEU 75 HD22 LEU 75 -3.648 4.489 -6.874 557 HD23 LEU 75 HD23 LEU 75 -2.705 4.875 -5.434 558 H ASP 76 HN ASP 76 -5.005 0.451 -6.755 559 HA ASP 76 HA ASP 76 -7.435 1.617 -7.432 560 HB2 ASP 76 HB2 ASP 76 -5.755 0.658 -9.011 561 HB3 ASP 76 HB1 ASP 76 -6.296 -0.950 -8.542 562 H LEU 77 HN LEU 77 -6.785 -1.613 -6.125 563 HA LEU 77 HA LEU 77 -9.429 -2.566 -6.265 564 HB2 LEU 77 HB2 LEU 77 -7.170 -3.322 -4.417 565 HB3 LEU 77 HB1 LEU 77 -8.697 -4.183 -4.494 566 HG LEU 77 HG LEU 77 -6.732 -3.895 -6.767 567 HD11 LEU 77 HD11 LEU 77 -7.441 -6.280 -5.065 568 HD12 LEU 77 HD12 LEU 77 -5.930 -5.376 -4.996 569 HD13 LEU 77 HD13 LEU 77 -6.350 -6.284 -6.449 570 HD21 LEU 77 HD21 LEU 77 -9.290 -5.480 -6.592 571 HD22 LEU 77 HD22 LEU 77 -8.162 -5.463 -7.946 572 HD23 LEU 77 HD23 LEU 77 -9.058 -4.003 -7.529 573 H ILE 78 HN ILE 78 -7.697 -0.871 -3.665 574 HA ILE 78 HA ILE 78 -9.851 -0.968 -1.822 575 HB ILE 78 HB ILE 78 -7.588 1.037 -1.963 576 HG12 ILE 78 HG12 ILE 78 -7.872 -1.531 -0.377 577 HG13 ILE 78 HG11 ILE 78 -6.800 -1.282 -1.752 578 HG21 ILE 78 HG21 ILE 78 -8.077 1.444 0.409 579 HG22 ILE 78 HG22 ILE 78 -9.450 0.341 0.310 580 HG23 ILE 78 HG23 ILE 78 -9.459 1.843 -0.615 581 HD11 ILE 78 HD11 ILE 78 -5.594 -1.177 0.350 582 HD12 ILE 78 HD12 ILE 78 -6.632 0.142 0.892 583 HD13 ILE 78 HD13 ILE 78 -5.551 0.374 -0.482 584 H ASN 79 HN ASN 79 -8.820 1.429 -4.230 585 HA ASN 79 HA ASN 79 -10.781 3.380 -3.710 586 HB2 ASN 79 HB2 ASN 79 -9.418 2.653 -6.311 587 HB3 ASN 79 HB1 ASN 79 -10.455 4.058 -6.111 588 HD21 ASN 79 HD21 ASN 79 -9.456 4.518 -3.363 589 HD22 ASN 79 HD22 ASN 79 -7.889 5.215 -3.568 590 H GLY 80 HN GLY 80 -10.880 0.432 -5.628 591 HA2 GLY 80 HA2 GLY 80 -13.390 0.843 -6.846 592 HA3 GLY 80 HA1 GLY 80 -12.637 -0.718 -6.561 593 H ALA 81 HN ALA 81 -12.487 -0.546 -3.739 594 HA ALA 81 HA ALA 81 -15.121 -1.396 -3.056 595 HB1 ALA 81 HB1 ALA 81 -13.098 -2.385 -2.058 596 HB2 ALA 81 HB2 ALA 81 -14.216 -1.781 -0.836 597 HB3 ALA 81 HB3 ALA 81 -12.771 -0.857 -1.238 598 H LEU 82 HN LEU 82 -13.240 1.515 -2.579 599 HA LEU 82 HA LEU 82 -15.027 2.768 -0.766 600 HB2 LEU 82 HB2 LEU 82 -12.931 3.930 -2.599 601 HB3 LEU 82 HB1 LEU 82 -13.771 4.827 -1.345 602 HG LEU 82 HG LEU 82 -12.015 2.422 -0.839 603 HD11 LEU 82 HD11 LEU 82 -11.434 5.350 -0.432 604 HD12 LEU 82 HD12 LEU 82 -10.705 4.310 -1.657 605 HD13 LEU 82 HD13 LEU 82 -10.398 4.008 0.053 606 HD21 LEU 82 HD21 LEU 82 -13.783 2.740 0.821 607 HD22 LEU 82 HD22 LEU 82 -13.268 4.409 1.055 608 HD23 LEU 82 HD23 LEU 82 -12.194 3.083 1.503 609 H ALA 83 HN ALA 83 -14.671 2.808 -4.289 610 HA ALA 83 HA ALA 83 -16.710 4.726 -4.785 611 HB1 ALA 83 HB1 ALA 83 -15.740 2.509 -6.590 612 HB2 ALA 83 HB2 ALA 83 -15.006 4.107 -6.455 613 HB3 ALA 83 HB3 ALA 83 -16.646 3.939 -7.085 614 H GLU 84 HN GLU 84 -16.696 1.261 -4.290 615 HA GLU 84 HA GLU 84 -19.413 0.796 -5.008 616 HB2 GLU 84 HB2 GLU 84 -17.528 -0.916 -4.820 617 HB3 GLU 84 HB1 GLU 84 -17.749 -0.833 -3.078 618 HG2 GLU 84 HG2 GLU 84 -19.802 -1.878 -3.159 619 HG3 GLU 84 HG1 GLU 84 -20.070 -1.445 -4.850 620 H ALA 85 HN ALA 85 -17.762 1.085 -1.877 621 HA ALA 85 HA ALA 85 -18.291 2.210 0.007 622 HB1 ALA 85 HB1 ALA 85 -20.677 3.281 -1.480 623 HB2 ALA 85 HB2 ALA 85 -19.062 3.987 -1.505 624 HB3 ALA 85 HB3 ALA 85 -19.973 3.929 0.003 625 H ALA 86 HN ALA 86 -21.611 1.515 -1.125 626 HA ALA 86 HA ALA 86 -21.996 0.061 1.400 627 HB1 ALA 86 HB1 ALA 86 -22.870 2.338 1.630 628 HB2 ALA 86 HB2 ALA 86 -24.157 1.135 1.695 629 HB3 ALA 86 HB3 ALA 86 -23.907 2.076 0.226 630 H28 SXO 87 H28B SXO 87 6.406 -11.920 5.646 631 H28A SXO 87 H28A SXO 87 7.475 -13.078 6.438 632 H30 SXO 87 H30A SXO 87 4.627 -12.170 7.066 633 H30A SXO 87 H30C SXO 87 3.953 -13.741 7.509 634 H30B SXO 87 H30B SXO 87 5.547 -13.270 8.098 635 H31 SXO 87 H31A SXO 87 4.196 -12.830 4.655 636 H31A SXO 87 H31B SXO 87 3.625 -14.419 5.167 637 H31B SXO 87 H31C SXO 87 4.953 -14.288 4.011 638 H32 SXO 87 H32A SXO 87 6.491 -15.297 7.297 639 HO33 SXO 87 H33A SXO 87 6.467 -16.523 4.895 640 HN36 SXO 87 H36A SXO 87 4.060 -15.365 8.032 641 H37 SXO 87 H37A SXO 87 3.059 -17.994 7.393 642 H37A SXO 87 H37B SXO 87 2.466 -16.909 8.650 643 H38 SXO 87 H38B SXO 87 0.841 -17.383 6.816 644 H38A SXO 87 H38A SXO 87 1.930 -16.559 5.705 645 HN41 SXO 87 H41A SXO 87 -0.129 -15.392 5.422 646 H42 SXO 87 H42A SXO 87 -1.451 -13.730 7.111 647 H42A SXO 87 H42B SXO 87 -0.006 -12.815 6.675 648 H43 SXO 87 H43B SXO 87 -1.957 -13.999 4.703 649 H43A SXO 87 H43A SXO 87 -1.922 -12.304 5.208 650 H2 SXO 87 H2A SXO 87 1.772 -11.265 2.845 651 H2A SXO 87 H2B SXO 87 2.024 -10.020 4.073 652 H3 SXO 87 H3B SXO 87 -0.146 -10.070 1.980 653 H3A SXO 87 H3A SXO 87 0.018 -8.847 3.238 654 H4 SXO 87 H4A SXO 87 2.092 -9.453 1.137 655 H4A SXO 87 H4B SXO 87 2.167 -8.171 2.348 656 H5 SXO 87 H5B SXO 87 1.471 -7.268 0.201 657 H5A SXO 87 H5A SXO 87 0.141 -8.424 0.125 658 H6 SXO 87 H6A SXO 87 0.486 -6.253 2.198 659 H6A SXO 87 H6B SXO 87 -0.838 -7.417 2.136 660 H7 SXO 87 H7A SXO 87 -1.461 -6.541 -0.091 661 H7A SXO 87 H7B SXO 87 -0.196 -5.310 0.067 662 H8 SXO 87 H8C SXO 87 -2.544 -5.690 1.917 663 H8A SXO 87 H8A SXO 87 -2.384 -4.427 0.697 664 H8B SXO 87 H8B SXO 87 -1.290 -4.463 2.079 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -16.307 10.740 -2.284 2 H2 MET 1 HT2 MET 1 -17.908 10.808 -2.851 3 H3 MET 1 HT3 MET 1 -17.363 9.448 -2.014 4 HA MET 1 HA MET 1 -17.531 12.158 -0.848 5 HB2 MET 1 HB2 MET 1 -19.769 11.318 -1.351 6 HB3 MET 1 HB1 MET 1 -19.398 9.796 -0.555 7 HG2 MET 1 HG2 MET 1 -19.134 10.993 1.573 8 HG3 MET 1 HG1 MET 1 -19.573 12.498 0.763 9 HE1 MET 1 HE1 MET 1 -22.692 11.590 3.025 10 HE2 MET 1 HE2 MET 1 -21.467 12.811 2.677 11 HE3 MET 1 HE3 MET 1 -20.995 11.267 3.383 12 H ALA 2 HN ALA 2 -17.069 8.665 -0.375 13 HA ALA 2 HA ALA 2 -16.320 8.858 2.357 14 HB1 ALA 2 HB1 ALA 2 -17.149 6.778 1.372 15 HB2 ALA 2 HB2 ALA 2 -15.566 6.552 2.115 16 HB3 ALA 2 HB3 ALA 2 -15.708 6.682 0.362 17 H THR 3 HN THR 3 -14.190 8.396 3.234 18 HA THR 3 HA THR 3 -12.157 9.961 1.990 19 HB THR 3 HB THR 3 -12.329 9.996 4.388 20 HG1 THR 3 HG1 THR 3 -10.089 9.538 3.114 21 HG21 THR 3 HG21 THR 3 -11.758 7.034 4.316 22 HG22 THR 3 HG22 THR 3 -13.271 7.799 4.800 23 HG23 THR 3 HG23 THR 3 -11.821 8.026 5.776 24 H LEU 4 HN LEU 4 -11.163 9.224 0.252 25 HA LEU 4 HA LEU 4 -10.723 6.393 -0.160 26 HB2 LEU 4 HB2 LEU 4 -9.961 8.757 -1.879 27 HB3 LEU 4 HB1 LEU 4 -9.830 7.074 -2.348 28 HG LEU 4 HG LEU 4 -12.391 8.572 -1.799 29 HD11 LEU 4 HD11 LEU 4 -11.234 7.447 -4.342 30 HD12 LEU 4 HD12 LEU 4 -11.320 9.156 -3.913 31 HD13 LEU 4 HD13 LEU 4 -12.803 8.235 -4.176 32 HD21 LEU 4 HD21 LEU 4 -13.512 6.528 -2.551 33 HD22 LEU 4 HD22 LEU 4 -12.579 6.252 -1.079 34 HD23 LEU 4 HD23 LEU 4 -11.953 5.708 -2.635 35 H LEU 5 HN LEU 5 -8.597 5.611 -0.909 36 HA LEU 5 HA LEU 5 -6.428 6.644 0.737 37 HB2 LEU 5 HB2 LEU 5 -7.064 4.141 0.159 38 HB3 LEU 5 HB1 LEU 5 -6.144 4.451 -1.298 39 HG LEU 5 HG LEU 5 -5.070 4.675 1.517 40 HD11 LEU 5 HD11 LEU 5 -5.556 2.381 0.961 41 HD12 LEU 5 HD12 LEU 5 -3.814 2.645 0.934 42 HD13 LEU 5 HD13 LEU 5 -4.711 2.543 -0.580 43 HD21 LEU 5 HD21 LEU 5 -3.607 4.781 -1.120 44 HD22 LEU 5 HD22 LEU 5 -2.893 4.895 0.489 45 HD23 LEU 5 HD23 LEU 5 -3.957 6.173 -0.097 46 H THR 6 HN THR 6 -5.073 8.171 -0.060 47 HA THR 6 HA THR 6 -5.082 8.603 -2.954 48 HB THR 6 HB THR 6 -3.915 10.843 -1.921 49 HG1 THR 6 HG1 THR 6 -4.331 10.691 0.188 50 HG21 THR 6 HG21 THR 6 -6.856 10.301 -2.334 51 HG22 THR 6 HG22 THR 6 -5.701 10.777 -3.579 52 HG23 THR 6 HG23 THR 6 -6.107 11.898 -2.279 53 H THR 7 HN THR 7 -3.088 9.458 -3.927 54 HA THR 7 HA THR 7 -1.070 7.562 -3.753 55 HB THR 7 HB THR 7 0.215 9.489 -5.076 56 HG1 THR 7 HG1 THR 7 -1.048 11.217 -5.063 57 HG21 THR 7 HG21 THR 7 -2.193 8.003 -6.131 58 HG22 THR 7 HG22 THR 7 -0.553 7.360 -6.022 59 HG23 THR 7 HG23 THR 7 -0.909 8.703 -7.112 60 H ASP 8 HN ASP 8 -0.975 10.962 -2.617 61 HA ASP 8 HA ASP 8 1.664 10.891 -1.664 62 HB2 ASP 8 HB2 ASP 8 0.579 13.011 -1.883 63 HB3 ASP 8 HB1 ASP 8 -0.706 12.536 -0.776 64 H ASP 9 HN ASP 9 -1.368 10.165 -0.020 65 HA ASP 9 HA ASP 9 -0.255 9.718 2.533 66 HB2 ASP 9 HB2 ASP 9 -2.806 8.605 1.350 67 HB3 ASP 9 HB1 ASP 9 -2.391 8.630 3.064 68 H LEU 10 HN LEU 10 -0.776 7.629 -0.239 69 HA LEU 10 HA LEU 10 0.000 5.207 1.025 70 HB2 LEU 10 HB2 LEU 10 -1.227 5.298 -1.118 71 HB3 LEU 10 HB1 LEU 10 0.186 5.996 -1.885 72 HG LEU 10 HG LEU 10 1.447 3.927 -1.444 73 HD11 LEU 10 HD11 LEU 10 0.250 1.926 -0.675 74 HD12 LEU 10 HD12 LEU 10 -1.182 2.910 -0.371 75 HD13 LEU 10 HD13 LEU 10 0.292 3.185 0.560 76 HD21 LEU 10 HD21 LEU 10 0.305 2.526 -3.078 77 HD22 LEU 10 HD22 LEU 10 0.262 4.221 -3.568 78 HD23 LEU 10 HD23 LEU 10 -1.171 3.467 -2.869 79 H ARG 11 HN ARG 11 1.744 7.643 -0.862 80 HA ARG 11 HA ARG 11 4.293 6.540 -0.850 81 HB2 ARG 11 HB2 ARG 11 3.827 8.489 -2.161 82 HB3 ARG 11 HB1 ARG 11 3.360 9.407 -0.737 83 HG2 ARG 11 HG2 ARG 11 5.625 9.485 0.035 84 HG3 ARG 11 HG1 ARG 11 6.146 8.388 -1.246 85 HD2 ARG 11 HD2 ARG 11 6.719 10.706 -1.771 86 HD3 ARG 11 HD1 ARG 11 5.563 10.051 -2.929 87 HE ARG 11 HE ARG 11 4.217 11.424 -0.841 88 HH11 ARG 11 HH11 ARG 11 6.148 11.997 -3.720 89 HH12 ARG 11 HH12 ARG 11 5.433 13.557 -4.032 90 HH21 ARG 11 HH21 ARG 11 3.290 13.485 -1.260 91 HH22 ARG 11 HH22 ARG 11 3.826 14.388 -2.655 92 H ARG 12 HN ARG 12 2.685 8.523 1.603 93 HA ARG 12 HA ARG 12 4.912 8.674 3.363 94 HB2 ARG 12 HB2 ARG 12 1.957 9.030 3.867 95 HB3 ARG 12 HB1 ARG 12 3.207 9.381 5.051 96 HG2 ARG 12 HG2 ARG 12 4.126 11.096 3.585 97 HG3 ARG 12 HG1 ARG 12 2.890 10.729 2.377 98 HD2 ARG 12 HD2 ARG 12 2.339 12.703 3.774 99 HD3 ARG 12 HD1 ARG 12 1.141 11.415 3.882 100 HE ARG 12 HE ARG 12 3.201 11.395 5.932 101 HH11 ARG 12 HH11 ARG 12 -0.035 12.431 5.035 102 HH12 ARG 12 HH12 ARG 12 -0.567 12.577 6.686 103 HH21 ARG 12 HH21 ARG 12 2.506 11.616 8.078 104 HH22 ARG 12 HH22 ARG 12 0.891 12.149 8.417 105 H ALA 13 HN ALA 13 2.360 6.338 2.917 106 HA ALA 13 HA ALA 13 2.246 5.260 5.492 107 HB1 ALA 13 HB1 ALA 13 1.099 3.372 4.483 108 HB2 ALA 13 HB2 ALA 13 1.650 3.877 2.886 109 HB3 ALA 13 HB3 ALA 13 0.528 4.892 3.793 110 H LEU 14 HN LEU 14 4.163 4.213 2.683 111 HA LEU 14 HA LEU 14 5.277 1.937 3.913 112 HB2 LEU 14 HB2 LEU 14 6.168 3.648 1.609 113 HB3 LEU 14 HB1 LEU 14 7.134 2.298 2.162 114 HG LEU 14 HG LEU 14 5.877 1.583 0.270 115 HD11 LEU 14 HD11 LEU 14 4.615 0.507 2.781 116 HD12 LEU 14 HD12 LEU 14 6.109 -0.059 2.033 117 HD13 LEU 14 HD13 LEU 14 4.571 -0.262 1.193 118 HD21 LEU 14 HD21 LEU 14 4.139 3.267 0.276 119 HD22 LEU 14 HD22 LEU 14 3.414 2.541 1.709 120 HD23 LEU 14 HD23 LEU 14 3.434 1.653 0.186 121 H VAL 15 HN VAL 15 6.288 5.310 3.819 122 HA VAL 15 HA VAL 15 8.849 4.908 5.000 123 HB VAL 15 HB VAL 15 7.165 7.420 4.937 124 HG11 VAL 15 HG11 VAL 15 9.300 8.599 5.204 125 HG12 VAL 15 HG12 VAL 15 10.134 7.052 5.352 126 HG13 VAL 15 HG13 VAL 15 8.963 7.546 6.576 127 HG21 VAL 15 HG21 VAL 15 9.256 6.427 3.001 128 HG22 VAL 15 HG22 VAL 15 8.497 8.019 2.953 129 HG23 VAL 15 HG23 VAL 15 7.526 6.569 2.693 130 H GLU 16 HN GLU 16 5.696 5.944 6.277 131 HA GLU 16 HA GLU 16 6.558 6.351 8.933 132 HB2 GLU 16 HB2 GLU 16 3.801 5.711 7.873 133 HB3 GLU 16 HB1 GLU 16 4.146 6.253 9.510 134 HG2 GLU 16 HG2 GLU 16 5.038 8.348 8.633 135 HG3 GLU 16 HG1 GLU 16 4.698 7.804 6.992 136 H SER 17 HN SER 17 5.503 3.481 7.224 137 HA SER 17 HA SER 17 5.177 1.928 9.620 138 HB2 SER 17 HB2 SER 17 5.369 1.009 6.744 139 HB3 SER 17 HB1 SER 17 4.791 0.050 8.109 140 HG SER 17 HG SER 17 3.595 2.281 6.862 141 H ALA 18 HN ALA 18 7.673 2.289 7.144 142 HA ALA 18 HA ALA 18 9.354 0.228 8.156 143 HB1 ALA 18 HB1 ALA 18 11.057 1.145 6.696 144 HB2 ALA 18 HB2 ALA 18 10.112 2.618 6.482 145 HB3 ALA 18 HB3 ALA 18 9.509 1.087 5.849 146 H GLY 19 HN GLY 19 8.928 3.617 8.855 147 HA2 GLY 19 HA2 GLY 19 9.438 4.550 10.963 148 HA3 GLY 19 HA1 GLY 19 10.612 3.267 11.224 149 H GLU 20 HN GLU 20 9.995 6.012 9.075 150 HA GLU 20 HA GLU 20 11.308 7.679 8.280 151 HB2 GLU 20 HB2 GLU 20 11.750 8.015 10.722 152 HB3 GLU 20 HB1 GLU 20 13.162 6.980 10.573 153 HG2 GLU 20 HG2 GLU 20 13.827 9.288 10.560 154 HG3 GLU 20 HG1 GLU 20 14.138 8.567 8.981 155 H THR 21 HN THR 21 11.743 6.494 6.357 156 HA THR 21 HA THR 21 14.528 5.628 6.106 157 HB THR 21 HB THR 21 13.718 3.719 4.640 158 HG1 THR 21 HG1 THR 21 11.561 4.351 4.425 159 HG21 THR 21 HG21 THR 21 14.658 3.309 6.856 160 HG22 THR 21 HG22 THR 21 13.323 2.199 6.542 161 HG23 THR 21 HG23 THR 21 13.084 3.596 7.593 162 H ASP 22 HN ASP 22 14.640 7.736 5.028 163 HA ASP 22 HA ASP 22 13.359 7.900 2.421 164 HB2 ASP 22 HB2 ASP 22 14.304 10.075 2.229 165 HB3 ASP 22 HB1 ASP 22 13.807 9.928 3.912 166 H GLY 23 HN GLY 23 14.729 8.244 0.467 167 HA2 GLY 23 HA2 GLY 23 17.091 8.068 -0.358 168 HA3 GLY 23 HA1 GLY 23 17.190 6.619 0.633 169 H THR 24 HN THR 24 15.052 5.193 0.122 170 HA THR 24 HA THR 24 15.418 4.117 -2.441 171 HB THR 24 HB THR 24 12.927 3.801 -0.751 172 HG1 THR 24 HG1 THR 24 14.631 1.814 -0.311 173 HG21 THR 24 HG21 THR 24 12.863 2.824 -3.020 174 HG22 THR 24 HG22 THR 24 12.825 1.585 -1.766 175 HG23 THR 24 HG23 THR 24 14.319 1.900 -2.648 176 H ASP 25 HN ASP 25 14.133 4.232 -4.312 177 HA ASP 25 HA ASP 25 12.930 6.752 -4.827 178 HB2 ASP 25 HB2 ASP 25 13.014 4.211 -6.456 179 HB3 ASP 25 HB1 ASP 25 12.295 5.711 -7.031 180 H LEU 26 HN LEU 26 11.363 6.850 -3.221 181 HA LEU 26 HA LEU 26 8.825 5.580 -4.003 182 HB2 LEU 26 HB2 LEU 26 9.764 4.521 -1.963 183 HB3 LEU 26 HB1 LEU 26 9.800 6.090 -1.184 184 HG LEU 26 HG LEU 26 7.282 6.160 -1.474 185 HD11 LEU 26 HD11 LEU 26 6.182 3.965 -1.712 186 HD12 LEU 26 HD12 LEU 26 7.740 3.261 -2.147 187 HD13 LEU 26 HD13 LEU 26 7.007 4.490 -3.179 188 HD21 LEU 26 HD21 LEU 26 8.376 5.688 0.655 189 HD22 LEU 26 HD22 LEU 26 8.464 3.977 0.236 190 HD23 LEU 26 HD23 LEU 26 6.895 4.749 0.474 191 H SER 27 HN SER 27 10.541 8.326 -3.797 192 HA SER 27 HA SER 27 8.647 10.027 -2.434 193 HB2 SER 27 HB2 SER 27 11.143 10.813 -3.956 194 HB3 SER 27 HB1 SER 27 10.277 11.781 -2.761 195 HG SER 27 HG SER 27 11.628 10.895 -1.410 196 H GLY 28 HN GLY 28 9.878 9.643 -5.753 197 HA2 GLY 28 HA2 GLY 28 7.831 11.559 -6.644 198 HA3 GLY 28 HA1 GLY 28 9.268 11.111 -7.546 199 H ASP 29 HN ASP 29 8.803 8.214 -6.977 200 HA ASP 29 HA ASP 29 6.431 7.707 -8.604 201 HB2 ASP 29 HB2 ASP 29 8.776 8.118 -9.906 202 HB3 ASP 29 HB1 ASP 29 8.887 6.387 -9.597 203 H PHE 30 HN PHE 30 5.679 5.554 -8.425 204 HA PHE 30 HA PHE 30 7.206 3.508 -7.185 205 HB2 PHE 30 HB2 PHE 30 5.874 3.370 -5.054 206 HB3 PHE 30 HB1 PHE 30 6.994 4.723 -5.154 207 HD1 PHE 30 HD2 PHE 30 6.173 7.012 -5.331 208 HD2 PHE 30 HD1 PHE 30 3.487 3.724 -5.056 209 HE1 PHE 30 HE2 PHE 30 4.330 8.557 -4.802 210 HE2 PHE 30 HE1 PHE 30 1.642 5.265 -4.542 211 HZ PHE 30 HZ PHE 30 2.084 7.707 -4.388 212 H LEU 31 HN LEU 31 4.116 4.694 -8.294 213 HA LEU 31 HA LEU 31 2.441 2.646 -7.460 214 HB2 LEU 31 HB2 LEU 31 2.262 4.493 -9.808 215 HB3 LEU 31 HB1 LEU 31 1.022 3.302 -9.472 216 HG LEU 31 HG LEU 31 1.862 5.538 -7.624 217 HD11 LEU 31 HD11 LEU 31 -0.645 5.125 -9.238 218 HD12 LEU 31 HD12 LEU 31 0.609 6.328 -9.546 219 HD13 LEU 31 HD13 LEU 31 -0.367 6.426 -8.079 220 HD21 LEU 31 HD21 LEU 31 -0.234 3.392 -7.329 221 HD22 LEU 31 HD22 LEU 31 -0.138 4.833 -6.319 222 HD23 LEU 31 HD23 LEU 31 1.177 3.660 -6.306 223 H ASP 32 HN ASP 32 4.584 2.632 -10.262 224 HA ASP 32 HA ASP 32 3.366 0.090 -11.107 225 HB2 ASP 32 HB2 ASP 32 4.406 0.387 -13.245 226 HB3 ASP 32 HB1 ASP 32 3.614 1.898 -12.813 227 H LEU 33 HN LEU 33 5.710 0.986 -9.071 228 HA LEU 33 HA LEU 33 7.663 -1.015 -9.884 229 HB2 LEU 33 HB2 LEU 33 7.590 0.855 -7.515 230 HB3 LEU 33 HB1 LEU 33 8.888 -0.275 -7.843 231 HG LEU 33 HG LEU 33 8.088 2.000 -9.661 232 HD11 LEU 33 HD11 LEU 33 9.041 2.843 -7.605 233 HD12 LEU 33 HD12 LEU 33 10.194 3.027 -8.926 234 HD13 LEU 33 HD13 LEU 33 10.402 1.729 -7.749 235 HD21 LEU 33 HD21 LEU 33 9.059 0.137 -10.880 236 HD22 LEU 33 HD22 LEU 33 10.416 0.081 -9.757 237 HD23 LEU 33 HD23 LEU 33 10.203 1.479 -10.810 238 H ARG 34 HN ARG 34 7.780 -3.018 -9.073 239 HA ARG 34 HA ARG 34 5.640 -4.034 -7.492 240 HB2 ARG 34 HB2 ARG 34 8.254 -5.310 -8.321 241 HB3 ARG 34 HB1 ARG 34 6.908 -6.167 -7.585 242 HG2 ARG 34 HG2 ARG 34 5.512 -5.715 -9.487 243 HG3 ARG 34 HG1 ARG 34 6.760 -4.695 -10.204 244 HD2 ARG 34 HD2 ARG 34 6.775 -6.859 -11.267 245 HD3 ARG 34 HD1 ARG 34 8.250 -6.644 -10.329 246 HE ARG 34 HE ARG 34 6.264 -7.978 -8.791 247 HH11 ARG 34 HH11 ARG 34 8.617 -8.457 -11.337 248 HH12 ARG 34 HH12 ARG 34 8.702 -10.176 -11.124 249 HH21 ARG 34 HH21 ARG 34 6.438 -10.226 -8.431 250 HH22 ARG 34 HH22 ARG 34 7.496 -11.186 -9.416 251 H PHE 35 HN PHE 35 5.587 -4.621 -5.362 252 HA PHE 35 HA PHE 35 7.151 -3.313 -3.471 253 HB2 PHE 35 HB2 PHE 35 5.609 -5.897 -3.154 254 HB3 PHE 35 HB1 PHE 35 6.234 -4.927 -1.823 255 HD1 PHE 35 HD2 PHE 35 5.549 -2.288 -2.175 256 HD2 PHE 35 HD1 PHE 35 3.354 -5.693 -3.497 257 HE1 PHE 35 HE2 PHE 35 3.482 -0.950 -2.186 258 HE2 PHE 35 HE1 PHE 35 1.290 -4.355 -3.511 259 HZ PHE 35 HZ PHE 35 1.338 -2.000 -2.812 260 H GLU 36 HN GLU 36 7.517 -6.546 -4.827 261 HA GLU 36 HA GLU 36 9.681 -7.440 -3.301 262 HB2 GLU 36 HB2 GLU 36 8.924 -7.993 -6.173 263 HB3 GLU 36 HB1 GLU 36 10.236 -8.824 -5.354 264 HG2 GLU 36 HG2 GLU 36 7.385 -8.827 -4.407 265 HG3 GLU 36 HG1 GLU 36 8.096 -10.077 -5.429 266 H ASP 37 HN ASP 37 9.580 -5.256 -6.048 267 HA ASP 37 HA ASP 37 12.444 -5.418 -6.448 268 HB2 ASP 37 HB2 ASP 37 10.213 -4.017 -7.885 269 HB3 ASP 37 HB1 ASP 37 11.887 -3.566 -8.190 270 H ILE 38 HN ILE 38 10.269 -3.419 -4.691 271 HA ILE 38 HA ILE 38 12.290 -1.321 -4.475 272 HB ILE 38 HB ILE 38 10.588 -0.112 -3.096 273 HG12 ILE 38 HG12 ILE 38 8.765 -2.335 -4.056 274 HG13 ILE 38 HG11 ILE 38 9.272 -2.080 -2.390 275 HG21 ILE 38 HG21 ILE 38 10.921 0.394 -5.434 276 HG22 ILE 38 HG22 ILE 38 9.206 0.506 -5.035 277 HG23 ILE 38 HG23 ILE 38 9.821 -0.903 -5.901 278 HD11 ILE 38 HD11 ILE 38 8.122 0.072 -2.371 279 HD12 ILE 38 HD12 ILE 38 7.023 -1.252 -2.762 280 HD13 ILE 38 HD13 ILE 38 7.616 -0.189 -4.038 281 H GLY 39 HN GLY 39 12.086 -4.180 -3.181 282 HA2 GLY 39 HA2 GLY 39 13.155 -5.115 -1.380 283 HA3 GLY 39 HA1 GLY 39 13.793 -3.522 -1.025 284 H TYR 40 HN TYR 40 10.453 -4.797 -1.014 285 HA TYR 40 HA TYR 40 10.342 -4.065 1.837 286 HB2 TYR 40 HB2 TYR 40 8.364 -3.660 -0.354 287 HB3 TYR 40 HB1 TYR 40 7.758 -3.984 1.268 288 HD1 TYR 40 HD1 TYR 40 9.634 -1.608 -0.818 289 HD2 TYR 40 HD2 TYR 40 8.003 -2.371 3.029 290 HE1 TYR 40 HE1 TYR 40 9.962 0.753 -0.220 291 HE2 TYR 40 HE2 TYR 40 8.324 -0.011 3.642 292 HH TYR 40 HH TYR 40 9.706 1.891 2.977 293 H ASP 41 HN ASP 41 10.326 -5.742 3.081 294 HA ASP 41 HA ASP 41 9.846 -8.390 2.259 295 HB2 ASP 41 HB2 ASP 41 9.750 -7.316 5.089 296 HB3 ASP 41 HB1 ASP 41 10.032 -8.983 4.604 297 H SER 42 HN SER 42 8.175 -9.814 2.843 298 HA SER 42 HA SER 42 5.571 -8.977 2.469 299 HB2 SER 42 HB2 SER 42 4.964 -11.225 3.479 300 HB3 SER 42 HB1 SER 42 6.126 -11.277 2.147 301 H LEU 43 HN LEU 43 7.267 -9.566 5.530 302 HA LEU 43 HA LEU 43 5.051 -9.108 7.209 303 HB2 LEU 43 HB2 LEU 43 7.115 -10.222 7.957 304 HB3 LEU 43 HB1 LEU 43 7.983 -8.706 7.807 305 HG LEU 43 HG LEU 43 6.509 -7.733 9.560 306 HD11 LEU 43 HD11 LEU 43 4.578 -9.179 9.268 307 HD12 LEU 43 HD12 LEU 43 5.161 -9.252 10.932 308 HD13 LEU 43 HD13 LEU 43 5.518 -10.568 9.814 309 HD21 LEU 43 HD21 LEU 43 8.696 -8.612 10.145 310 HD22 LEU 43 HD22 LEU 43 8.011 -10.226 10.340 311 HD23 LEU 43 HD23 LEU 43 7.534 -8.929 11.434 312 H ALA 44 HN ALA 44 7.635 -6.936 6.088 313 HA ALA 44 HA ALA 44 6.711 -4.640 7.437 314 HB1 ALA 44 HB1 ALA 44 8.116 -3.386 5.877 315 HB2 ALA 44 HB2 ALA 44 8.297 -4.832 4.884 316 HB3 ALA 44 HB3 ALA 44 8.958 -4.798 6.517 317 H LEU 45 HN LEU 45 5.768 -6.178 4.477 318 HA LEU 45 HA LEU 45 4.302 -4.009 3.382 319 HB2 LEU 45 HB2 LEU 45 5.140 -5.993 2.114 320 HB3 LEU 45 HB1 LEU 45 3.911 -6.962 2.898 321 HG LEU 45 HG LEU 45 2.158 -5.582 1.838 322 HD11 LEU 45 HD11 LEU 45 4.491 -4.241 0.474 323 HD12 LEU 45 HD12 LEU 45 3.354 -3.493 1.596 324 HD13 LEU 45 HD13 LEU 45 2.799 -4.049 0.016 325 HD21 LEU 45 HD21 LEU 45 2.872 -7.627 0.736 326 HD22 LEU 45 HD22 LEU 45 4.167 -6.755 -0.084 327 HD23 LEU 45 HD23 LEU 45 2.482 -6.387 -0.455 328 H MET 46 HN MET 46 3.368 -6.816 5.376 329 HA MET 46 HA MET 46 0.617 -6.049 5.471 330 HB2 MET 46 HB2 MET 46 0.315 -7.779 7.128 331 HB3 MET 46 HB1 MET 46 1.348 -8.390 5.847 332 HG2 MET 46 HG2 MET 46 3.305 -8.075 7.245 333 HG3 MET 46 HG1 MET 46 2.298 -7.390 8.521 334 HE1 MET 46 HE1 MET 46 0.136 -10.471 9.602 335 HE2 MET 46 HE2 MET 46 -0.267 -9.185 8.464 336 HE3 MET 46 HE3 MET 46 0.565 -8.802 9.969 337 H GLU 47 HN GLU 47 3.442 -5.279 7.360 338 HA GLU 47 HA GLU 47 2.224 -4.030 9.553 339 HB2 GLU 47 HB2 GLU 47 4.807 -3.519 8.089 340 HB3 GLU 47 HB1 GLU 47 4.323 -2.519 9.450 341 HG2 GLU 47 HG2 GLU 47 4.614 -5.511 9.589 342 HG3 GLU 47 HG1 GLU 47 5.897 -4.374 10.001 343 H THR 48 HN THR 48 3.213 -2.709 6.422 344 HA THR 48 HA THR 48 2.233 -0.112 6.780 345 HB THR 48 HB THR 48 2.418 -1.613 4.156 346 HG1 THR 48 HG1 THR 48 4.418 -1.776 5.165 347 HG21 THR 48 HG21 THR 48 1.274 0.566 4.039 348 HG22 THR 48 HG22 THR 48 2.826 0.601 3.203 349 HG23 THR 48 HG23 THR 48 2.671 1.333 4.799 350 H ALA 49 HN ALA 49 0.717 -3.031 5.483 351 HA ALA 49 HA ALA 49 -1.647 -1.975 4.486 352 HB1 ALA 49 HB1 ALA 49 -0.885 -4.295 4.162 353 HB2 ALA 49 HB2 ALA 49 -2.563 -4.199 4.696 354 HB3 ALA 49 HB3 ALA 49 -1.300 -4.645 5.843 355 H ALA 50 HN ALA 50 -0.966 -3.155 7.769 356 HA ALA 50 HA ALA 50 -3.583 -2.932 8.770 357 HB1 ALA 50 HB1 ALA 50 -0.995 -2.751 10.305 358 HB2 ALA 50 HB2 ALA 50 -1.803 -4.251 9.847 359 HB3 ALA 50 HB3 ALA 50 -2.584 -3.133 10.967 360 H ARG 51 HN ARG 51 -0.986 -0.659 8.420 361 HA ARG 51 HA ARG 51 -1.929 1.362 10.154 362 HB2 ARG 51 HB2 ARG 51 -0.296 1.755 7.642 363 HB3 ARG 51 HB1 ARG 51 -0.370 2.817 9.030 364 HG2 ARG 51 HG2 ARG 51 0.853 0.084 8.897 365 HG3 ARG 51 HG1 ARG 51 1.693 1.621 9.086 366 HD2 ARG 51 HD2 ARG 51 0.783 1.922 11.280 367 HD3 ARG 51 HD1 ARG 51 -0.283 0.531 11.080 368 HE ARG 51 HE ARG 51 2.648 0.272 11.114 369 HH11 ARG 51 HH11 ARG 51 -0.525 -0.683 12.267 370 HH12 ARG 51 HH12 ARG 51 0.070 -2.098 13.084 371 HH21 ARG 51 HH21 ARG 51 3.420 -1.581 12.233 372 HH22 ARG 51 HH22 ARG 51 2.298 -2.590 13.087 373 H LEU 52 HN LEU 52 -2.515 0.610 6.774 374 HA LEU 52 HA LEU 52 -3.999 3.038 6.319 375 HB2 LEU 52 HB2 LEU 52 -3.703 0.601 4.571 376 HB3 LEU 52 HB1 LEU 52 -4.365 2.149 4.078 377 HG LEU 52 HG LEU 52 -1.509 1.588 4.886 378 HD11 LEU 52 HD11 LEU 52 -2.017 0.825 2.664 379 HD12 LEU 52 HD12 LEU 52 -1.034 2.290 2.577 380 HD13 LEU 52 HD13 LEU 52 -2.772 2.370 2.274 381 HD21 LEU 52 HD21 LEU 52 -1.082 3.941 4.332 382 HD22 LEU 52 HD22 LEU 52 -2.178 3.779 5.705 383 HD23 LEU 52 HD23 LEU 52 -2.813 4.198 4.113 384 H GLU 53 HN GLU 53 -4.734 -0.364 6.888 385 HA GLU 53 HA GLU 53 -7.498 -0.258 6.447 386 HB2 GLU 53 HB2 GLU 53 -5.950 -1.902 8.465 387 HB3 GLU 53 HB1 GLU 53 -7.640 -2.161 8.049 388 HG2 GLU 53 HG2 GLU 53 -7.001 -2.645 5.743 389 HG3 GLU 53 HG1 GLU 53 -5.306 -2.388 6.156 390 H SER 54 HN SER 54 -5.570 0.454 9.323 391 HA SER 54 HA SER 54 -7.713 1.171 11.011 392 HB2 SER 54 HB2 SER 54 -4.854 2.159 11.083 393 HB3 SER 54 HB1 SER 54 -6.011 2.217 12.412 394 HG SER 54 HG SER 54 -4.795 -0.050 11.225 395 H ARG 55 HN ARG 55 -5.762 3.035 8.722 396 HA ARG 55 HA ARG 55 -6.638 5.582 9.565 397 HB2 ARG 55 HB2 ARG 55 -5.150 4.485 7.249 398 HB3 ARG 55 HB1 ARG 55 -5.853 6.078 7.073 399 HG2 ARG 55 HG2 ARG 55 -4.659 6.778 9.139 400 HG3 ARG 55 HG1 ARG 55 -3.868 5.200 9.149 401 HD2 ARG 55 HD2 ARG 55 -2.871 5.645 6.991 402 HD3 ARG 55 HD1 ARG 55 -3.730 7.181 6.884 403 HE ARG 55 HE ARG 55 -2.280 7.323 9.216 404 HH11 ARG 55 HH11 ARG 55 -1.507 6.879 5.809 405 HH12 ARG 55 HH12 ARG 55 0.066 7.595 5.960 406 HH21 ARG 55 HH21 ARG 55 -0.228 8.263 9.380 407 HH22 ARG 55 HH22 ARG 55 0.808 8.359 7.977 408 H TYR 56 HN TYR 56 -7.581 3.586 6.765 409 HA TYR 56 HA TYR 56 -9.597 5.606 6.108 410 HB2 TYR 56 HB2 TYR 56 -8.749 3.235 4.439 411 HB3 TYR 56 HB1 TYR 56 -9.614 4.675 3.903 412 HD1 TYR 56 HD2 TYR 56 -8.318 6.959 4.343 413 HD2 TYR 56 HD1 TYR 56 -6.463 3.130 4.062 414 HE1 TYR 56 HE2 TYR 56 -6.199 8.036 3.753 415 HE2 TYR 56 HE1 TYR 56 -4.334 4.209 3.466 416 HH TYR 56 HH TYR 56 -3.754 7.499 3.861 417 H GLY 57 HN GLY 57 -9.458 2.854 7.889 418 HA2 GLY 57 HA2 GLY 57 -11.150 1.642 8.884 419 HA3 GLY 57 HA1 GLY 57 -12.299 2.666 8.035 420 H VAL 58 HN VAL 58 -9.805 0.741 6.491 421 HA VAL 58 HA VAL 58 -11.955 -0.706 5.117 422 HB VAL 58 HB VAL 58 -10.382 -1.111 3.288 423 HG11 VAL 58 HG11 VAL 58 -11.769 0.896 3.226 424 HG12 VAL 58 HG12 VAL 58 -10.207 1.176 2.456 425 HG13 VAL 58 HG13 VAL 58 -10.516 1.796 4.078 426 HG21 VAL 58 HG21 VAL 58 -8.297 -1.166 4.558 427 HG22 VAL 58 HG22 VAL 58 -8.441 0.559 4.895 428 HG23 VAL 58 HG23 VAL 58 -8.194 0.001 3.240 429 H SER 59 HN SER 59 -10.757 -2.821 4.075 430 HA SER 59 HA SER 59 -9.097 -4.180 5.992 431 HB2 SER 59 HB2 SER 59 -11.856 -5.213 5.279 432 HB3 SER 59 HB1 SER 59 -10.642 -6.098 6.197 433 HG SER 59 HG SER 59 -10.924 -3.732 7.345 434 H ILE 60 HN ILE 60 -7.624 -5.258 4.862 435 HA ILE 60 HA ILE 60 -8.106 -5.688 2.009 436 HB ILE 60 HB ILE 60 -5.542 -5.971 3.592 437 HG12 ILE 60 HG12 ILE 60 -6.484 -3.743 1.758 438 HG13 ILE 60 HG11 ILE 60 -6.392 -3.651 3.515 439 HG21 ILE 60 HG21 ILE 60 -5.567 -7.357 1.591 440 HG22 ILE 60 HG22 ILE 60 -4.449 -6.007 1.401 441 HG23 ILE 60 HG23 ILE 60 -6.026 -5.963 0.613 442 HD11 ILE 60 HD11 ILE 60 -4.054 -4.056 1.666 443 HD12 ILE 60 HD12 ILE 60 -3.982 -3.895 3.421 444 HD13 ILE 60 HD13 ILE 60 -4.513 -2.535 2.431 445 HA PRO 61 HA PRO 61 -9.212 -9.931 2.924 446 HB2 PRO 61 HB2 PRO 61 -8.827 -10.157 -0.012 447 HB3 PRO 61 HB1 PRO 61 -10.216 -10.610 0.979 448 HG2 PRO 61 HG2 PRO 61 -10.302 -8.439 -0.556 449 HG3 PRO 61 HG1 PRO 61 -11.035 -8.439 1.061 450 HD2 PRO 61 HD2 PRO 61 -8.437 -7.258 0.156 451 HD3 PRO 61 HD1 PRO 61 -9.636 -6.605 1.291 452 H ASP 62 HN ASP 62 -8.039 -11.692 3.346 453 HA ASP 62 HA ASP 62 -5.242 -11.592 3.269 454 HB2 ASP 62 HB2 ASP 62 -6.459 -12.885 4.927 455 HB3 ASP 62 HB1 ASP 62 -7.095 -13.944 3.674 456 H ASP 63 HN ASP 63 -7.536 -13.204 1.134 457 HA ASP 63 HA ASP 63 -5.503 -14.627 -0.307 458 HB2 ASP 63 HB2 ASP 63 -7.606 -15.694 -0.267 459 HB3 ASP 63 HB1 ASP 63 -8.458 -14.224 -0.731 460 H VAL 64 HN VAL 64 -7.373 -11.684 -0.841 461 HA VAL 64 HA VAL 64 -6.388 -11.277 -3.488 462 HB VAL 64 HB VAL 64 -7.629 -9.229 -1.640 463 HG11 VAL 64 HG11 VAL 64 -6.469 -8.262 -3.571 464 HG12 VAL 64 HG12 VAL 64 -8.216 -8.060 -3.711 465 HG13 VAL 64 HG13 VAL 64 -7.393 -9.304 -4.651 466 HG21 VAL 64 HG21 VAL 64 -9.129 -11.116 -1.873 467 HG22 VAL 64 HG22 VAL 64 -8.923 -11.105 -3.625 468 HG23 VAL 64 HG23 VAL 64 -9.742 -9.763 -2.823 469 H ALA 65 HN ALA 65 -5.290 -10.475 -0.294 470 HA ALA 65 HA ALA 65 -3.423 -8.478 -0.933 471 HB1 ALA 65 HB1 ALA 65 -3.281 -10.533 1.264 472 HB2 ALA 65 HB2 ALA 65 -4.119 -8.984 1.361 473 HB3 ALA 65 HB3 ALA 65 -2.365 -9.029 1.187 474 H GLY 66 HN GLY 66 -3.211 -11.981 -0.901 475 HA2 GLY 66 HA2 GLY 66 -0.380 -11.926 -1.553 476 HA3 GLY 66 HA1 GLY 66 -1.352 -13.355 -1.245 477 H ARG 67 HN ARG 67 -2.281 -10.877 -3.564 478 HA ARG 67 HA ARG 67 -1.184 -12.455 -5.749 479 HB2 ARG 67 HB2 ARG 67 -3.330 -12.471 -6.980 480 HB3 ARG 67 HB1 ARG 67 -3.374 -13.433 -5.511 481 HG2 ARG 67 HG2 ARG 67 -4.565 -11.644 -4.367 482 HG3 ARG 67 HG1 ARG 67 -4.501 -10.660 -5.827 483 HD2 ARG 67 HD2 ARG 67 -6.667 -11.676 -5.687 484 HD3 ARG 67 HD1 ARG 67 -5.781 -12.426 -7.014 485 HE ARG 67 HE ARG 67 -5.857 -13.745 -4.384 486 HH11 ARG 67 HH11 ARG 67 -6.759 -13.672 -7.760 487 HH12 ARG 67 HH12 ARG 67 -7.244 -15.337 -7.803 488 HH21 ARG 67 HH21 ARG 67 -6.540 -15.936 -4.405 489 HH22 ARG 67 HH22 ARG 67 -7.118 -16.623 -5.894 490 H VAL 68 HN VAL 68 -1.205 -9.615 -4.387 491 HA VAL 68 HA VAL 68 -1.518 -8.055 -6.849 492 HB VAL 68 HB VAL 68 -1.244 -6.049 -5.486 493 HG11 VAL 68 HG11 VAL 68 -3.306 -6.193 -4.192 494 HG12 VAL 68 HG12 VAL 68 -3.272 -7.952 -4.327 495 HG13 VAL 68 HG13 VAL 68 -3.480 -6.959 -5.771 496 HG21 VAL 68 HG21 VAL 68 -1.125 -6.167 -3.049 497 HG22 VAL 68 HG22 VAL 68 0.285 -6.918 -3.797 498 HG23 VAL 68 HG23 VAL 68 -1.004 -7.925 -3.136 499 H ASP 69 HN ASP 69 0.272 -6.213 -6.977 500 HA ASP 69 HA ASP 69 2.890 -7.164 -6.188 501 HB2 ASP 69 HB2 ASP 69 1.897 -7.834 -8.742 502 HB3 ASP 69 HB1 ASP 69 3.070 -6.543 -8.998 503 H THR 70 HN THR 70 1.205 -4.834 -8.285 504 HA THR 70 HA THR 70 3.181 -2.815 -7.550 505 HB THR 70 HB THR 70 1.906 -1.502 -9.398 506 HG1 THR 70 HG1 THR 70 0.380 -2.587 -10.413 507 HG21 THR 70 HG21 THR 70 3.513 -3.968 -10.075 508 HG22 THR 70 HG22 THR 70 4.168 -2.378 -9.683 509 HG23 THR 70 HG23 THR 70 3.225 -2.607 -11.156 510 HA PRO 71 HA PRO 71 0.601 -0.589 -4.680 511 HB2 PRO 71 HB2 PRO 71 1.706 1.731 -6.213 512 HB3 PRO 71 HB1 PRO 71 1.598 1.498 -4.465 513 HG2 PRO 71 HG2 PRO 71 3.912 1.147 -5.688 514 HG3 PRO 71 HG1 PRO 71 3.396 -0.003 -4.438 515 HD2 PRO 71 HD2 PRO 71 3.395 -0.306 -7.408 516 HD3 PRO 71 HD1 PRO 71 3.749 -1.506 -6.148 517 H ARG 72 HN ARG 72 0.564 0.210 -8.120 518 HA ARG 72 HA ARG 72 -1.644 1.878 -8.268 519 HB2 ARG 72 HB2 ARG 72 -0.190 1.336 -10.194 520 HB3 ARG 72 HB1 ARG 72 -0.890 -0.277 -10.249 521 HG2 ARG 72 HG2 ARG 72 -3.147 0.927 -10.490 522 HG3 ARG 72 HG1 ARG 72 -2.179 2.346 -10.887 523 HD2 ARG 72 HD2 ARG 72 -2.105 -0.305 -12.317 524 HD3 ARG 72 HD1 ARG 72 -2.893 1.160 -12.891 525 HE ARG 72 HE ARG 72 -0.056 1.383 -12.348 526 HH11 ARG 72 HH11 ARG 72 -2.591 0.925 -14.716 527 HH12 ARG 72 HH12 ARG 72 -1.557 1.246 -16.082 528 HH21 ARG 72 HH21 ARG 72 1.309 1.844 -14.153 529 HH22 ARG 72 HH22 ARG 72 0.663 1.737 -15.763 530 H GLU 73 HN GLU 73 -1.590 -1.656 -8.624 531 HA GLU 73 HA GLU 73 -4.361 -1.986 -8.907 532 HB2 GLU 73 HB2 GLU 73 -2.856 -4.145 -7.520 533 HB3 GLU 73 HB1 GLU 73 -3.976 -4.249 -8.866 534 HG2 GLU 73 HG2 GLU 73 -1.087 -3.413 -8.979 535 HG3 GLU 73 HG1 GLU 73 -1.785 -4.914 -9.577 536 H LEU 74 HN LEU 74 -2.268 -2.096 -6.084 537 HA LEU 74 HA LEU 74 -4.146 -2.859 -4.150 538 HB2 LEU 74 HB2 LEU 74 -1.554 -2.618 -4.082 539 HB3 LEU 74 HB1 LEU 74 -1.877 -0.965 -3.608 540 HG LEU 74 HG LEU 74 -1.383 -2.573 -1.739 541 HD11 LEU 74 HD11 LEU 74 -4.057 -1.190 -1.616 542 HD12 LEU 74 HD12 LEU 74 -2.489 -0.422 -1.363 543 HD13 LEU 74 HD13 LEU 74 -3.053 -1.663 -0.244 544 HD21 LEU 74 HD21 LEU 74 -3.186 -4.043 -0.992 545 HD22 LEU 74 HD22 LEU 74 -2.613 -4.492 -2.599 546 HD23 LEU 74 HD23 LEU 74 -4.131 -3.614 -2.418 547 H LEU 75 HN LEU 75 -3.101 0.334 -5.242 548 HA LEU 75 HA LEU 75 -4.668 1.906 -3.541 549 HB2 LEU 75 HB2 LEU 75 -2.777 2.672 -4.985 550 HB3 LEU 75 HB1 LEU 75 -3.834 2.535 -6.375 551 HG LEU 75 HG LEU 75 -5.338 4.230 -5.293 552 HD11 LEU 75 HD11 LEU 75 -2.995 4.484 -3.417 553 HD12 LEU 75 HD12 LEU 75 -4.635 3.986 -2.997 554 HD13 LEU 75 HD13 LEU 75 -4.323 5.636 -3.536 555 HD21 LEU 75 HD21 LEU 75 -3.887 6.137 -5.862 556 HD22 LEU 75 HD22 LEU 75 -3.828 4.859 -7.075 557 HD23 LEU 75 HD23 LEU 75 -2.504 5.042 -5.924 558 H ASP 76 HN ASP 76 -5.320 0.860 -6.886 559 HA ASP 76 HA ASP 76 -7.863 2.145 -7.000 560 HB2 ASP 76 HB2 ASP 76 -6.474 1.676 -9.007 561 HB3 ASP 76 HB1 ASP 76 -6.784 -0.044 -8.792 562 H LEU 77 HN LEU 77 -6.799 -1.030 -6.032 563 HA LEU 77 HA LEU 77 -9.269 -2.380 -6.137 564 HB2 LEU 77 HB2 LEU 77 -7.137 -3.530 -5.849 565 HB3 LEU 77 HB1 LEU 77 -6.913 -2.762 -4.290 566 HG LEU 77 HG LEU 77 -8.937 -3.980 -3.466 567 HD11 LEU 77 HD11 LEU 77 -8.690 -5.419 -6.105 568 HD12 LEU 77 HD12 LEU 77 -10.027 -4.384 -5.602 569 HD13 LEU 77 HD13 LEU 77 -9.723 -5.903 -4.759 570 HD21 LEU 77 HD21 LEU 77 -6.667 -5.655 -4.531 571 HD22 LEU 77 HD22 LEU 77 -7.786 -6.127 -3.252 572 HD23 LEU 77 HD23 LEU 77 -6.686 -4.772 -3.004 573 H ILE 78 HN ILE 78 -7.643 -0.822 -3.372 574 HA ILE 78 HA ILE 78 -9.753 -1.202 -1.547 575 HB ILE 78 HB ILE 78 -7.599 0.928 -1.541 576 HG12 ILE 78 HG12 ILE 78 -7.757 -1.776 -0.185 577 HG13 ILE 78 HG11 ILE 78 -6.716 -1.364 -1.545 578 HG21 ILE 78 HG21 ILE 78 -9.330 -0.044 0.733 579 HG22 ILE 78 HG22 ILE 78 -9.512 1.501 -0.098 580 HG23 ILE 78 HG23 ILE 78 -8.050 1.167 0.830 581 HD11 ILE 78 HD11 ILE 78 -5.501 0.208 -0.147 582 HD12 ILE 78 HD12 ILE 78 -5.498 -1.407 0.560 583 HD13 ILE 78 HD13 ILE 78 -6.565 -0.161 1.211 584 H ASN 79 HN ASN 79 -8.885 1.591 -3.573 585 HA ASN 79 HA ASN 79 -11.070 3.203 -2.764 586 HB2 ASN 79 HB2 ASN 79 -9.326 3.275 -5.224 587 HB3 ASN 79 HB1 ASN 79 -10.580 4.469 -4.903 588 HD21 ASN 79 HD21 ASN 79 -7.743 4.916 -5.150 589 HD22 ASN 79 HD22 ASN 79 -7.204 5.576 -3.643 590 H GLY 80 HN GLY 80 -10.814 0.548 -4.933 591 HA2 GLY 80 HA2 GLY 80 -13.122 1.096 -6.515 592 HA3 GLY 80 HA1 GLY 80 -12.341 -0.469 -6.322 593 H ALA 81 HN ALA 81 -12.584 -0.548 -3.462 594 HA ALA 81 HA ALA 81 -15.260 -1.519 -3.212 595 HB1 ALA 81 HB1 ALA 81 -13.171 -1.073 -1.082 596 HB2 ALA 81 HB2 ALA 81 -13.397 -2.556 -2.009 597 HB3 ALA 81 HB3 ALA 81 -14.655 -2.009 -0.901 598 H LEU 82 HN LEU 82 -13.565 1.403 -2.385 599 HA LEU 82 HA LEU 82 -15.730 2.431 -0.755 600 HB2 LEU 82 HB2 LEU 82 -13.194 3.752 -1.717 601 HB3 LEU 82 HB1 LEU 82 -14.306 4.429 -0.546 602 HG LEU 82 HG LEU 82 -12.721 1.892 -0.155 603 HD11 LEU 82 HD11 LEU 82 -12.295 4.648 0.992 604 HD12 LEU 82 HD12 LEU 82 -11.282 3.854 -0.214 605 HD13 LEU 82 HD13 LEU 82 -11.386 3.195 1.418 606 HD21 LEU 82 HD21 LEU 82 -14.411 3.466 1.784 607 HD22 LEU 82 HD22 LEU 82 -13.467 2.022 2.155 608 HD23 LEU 82 HD23 LEU 82 -14.847 1.918 1.061 609 H ALA 83 HN ALA 83 -15.042 2.273 -4.033 610 HA ALA 83 HA ALA 83 -15.857 4.815 -4.938 611 HB1 ALA 83 HB1 ALA 83 -15.954 2.172 -6.386 612 HB2 ALA 83 HB2 ALA 83 -14.574 3.269 -6.321 613 HB3 ALA 83 HB3 ALA 83 -16.059 3.768 -7.130 614 H GLU 84 HN GLU 84 -17.648 2.127 -3.766 615 HA GLU 84 HA GLU 84 -20.134 2.732 -4.995 616 HB2 GLU 84 HB2 GLU 84 -19.492 1.274 -2.430 617 HB3 GLU 84 HB1 GLU 84 -21.095 1.353 -3.151 618 HG2 GLU 84 HG2 GLU 84 -18.663 0.194 -4.494 619 HG3 GLU 84 HG1 GLU 84 -19.894 -0.744 -3.651 620 H ALA 85 HN ALA 85 -18.333 4.158 -2.478 621 HA ALA 85 HA ALA 85 -20.641 5.786 -1.641 622 HB1 ALA 85 HB1 ALA 85 -18.066 5.213 -0.177 623 HB2 ALA 85 HB2 ALA 85 -19.656 4.544 0.194 624 HB3 ALA 85 HB3 ALA 85 -19.356 6.269 0.399 625 H ALA 86 HN ALA 86 -18.819 6.032 -4.002 626 HA ALA 86 HA ALA 86 -17.322 8.444 -3.524 627 HB1 ALA 86 HB1 ALA 86 -16.600 6.774 -5.204 628 HB2 ALA 86 HB2 ALA 86 -16.809 8.385 -5.889 629 HB3 ALA 86 HB3 ALA 86 -18.036 7.149 -6.160 630 H28 SXO 87 H28B SXO 87 4.972 -12.076 5.617 631 H28A SXO 87 H28A SXO 87 5.266 -13.654 6.354 632 H30 SXO 87 H30A SXO 87 1.667 -13.025 6.754 633 H30A SXO 87 H30C SXO 87 3.187 -13.316 7.597 634 H30B SXO 87 H30B SXO 87 2.921 -11.785 6.759 635 H31 SXO 87 H31A SXO 87 3.193 -13.127 3.355 636 H31A SXO 87 H31B SXO 87 2.813 -11.703 4.323 637 H31B SXO 87 H31C SXO 87 1.647 -13.018 4.197 638 H32 SXO 87 H32A SXO 87 3.293 -15.399 6.384 639 HO33 SXO 87 H33A SXO 87 4.560 -14.910 4.117 640 HN36 SXO 87 H36A SXO 87 0.973 -14.441 6.748 641 H37 SXO 87 H37A SXO 87 -1.061 -14.674 4.820 642 H37A SXO 87 H37B SXO 87 -0.948 -16.169 5.745 643 H38 SXO 87 H38B SXO 87 -1.275 -14.932 7.818 644 H38A SXO 87 H38A SXO 87 -2.612 -14.678 6.698 645 HN41 SXO 87 H41A SXO 87 -1.601 -12.857 5.008 646 H42 SXO 87 H42A SXO 87 -2.257 -10.422 5.800 647 H42A SXO 87 H42B SXO 87 -0.624 -10.530 6.463 648 H43 SXO 87 H43B SXO 87 0.279 -10.918 4.237 649 H43A SXO 87 H43A SXO 87 -1.356 -10.895 3.556 650 H2 SXO 87 H2A SXO 87 0.304 -7.553 0.854 651 H2A SXO 87 H2B SXO 87 0.787 -6.757 2.349 652 H3 SXO 87 H3B SXO 87 -2.056 -7.497 2.181 653 H3A SXO 87 H3A SXO 87 -1.291 -6.034 2.805 654 H4 SXO 87 H4A SXO 87 -2.639 -5.548 0.822 655 H4A SXO 87 H4B SXO 87 -1.708 -6.723 -0.107 656 H5 SXO 87 H5B SXO 87 0.331 -5.363 0.313 657 H5A SXO 87 H5A SXO 87 -0.900 -4.537 -0.644 658 H6 SXO 87 H6A SXO 87 -0.308 -4.148 2.288 659 H6A SXO 87 H6B SXO 87 -1.680 -3.420 1.449 660 H7 SXO 87 H7A SXO 87 -0.160 -2.239 -0.049 661 H7A SXO 87 H7B SXO 87 1.229 -2.985 0.764 662 H8 SXO 87 H8C SXO 87 -0.819 -1.198 2.081 663 H8A SXO 87 H8A SXO 87 0.794 -0.696 1.572 664 H8B SXO 87 H8B SXO 87 0.606 -1.900 2.847 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -16.224 14.678 3.338 2 H2 MET 1 HT2 MET 1 -17.727 15.335 2.919 3 H3 MET 1 HT3 MET 1 -17.103 14.027 2.039 4 HA MET 1 HA MET 1 -17.956 13.999 4.877 5 HB2 MET 1 HB2 MET 1 -19.117 12.724 2.392 6 HB3 MET 1 HB1 MET 1 -19.642 12.353 4.029 7 HG2 MET 1 HG2 MET 1 -20.354 14.654 4.344 8 HG3 MET 1 HG1 MET 1 -19.786 15.061 2.727 9 HE1 MET 1 HE1 MET 1 -20.876 14.156 0.501 10 HE2 MET 1 HE2 MET 1 -22.251 13.054 0.450 11 HE3 MET 1 HE3 MET 1 -20.688 12.488 1.042 12 H ALA 2 HN ALA 2 -16.461 12.289 2.181 13 HA ALA 2 HA ALA 2 -15.040 10.620 4.116 14 HB1 ALA 2 HB1 ALA 2 -15.353 8.614 2.723 15 HB2 ALA 2 HB2 ALA 2 -16.447 9.521 1.678 16 HB3 ALA 2 HB3 ALA 2 -16.883 9.215 3.359 17 H THR 3 HN THR 3 -13.113 9.564 3.049 18 HA THR 3 HA THR 3 -12.193 11.089 0.726 19 HB THR 3 HB THR 3 -11.352 12.223 2.779 20 HG1 THR 3 HG1 THR 3 -9.047 11.130 1.650 21 HG21 THR 3 HG21 THR 3 -9.848 9.641 3.206 22 HG22 THR 3 HG22 THR 3 -11.115 10.290 4.247 23 HG23 THR 3 HG23 THR 3 -9.574 11.139 4.094 24 H LEU 4 HN LEU 4 -10.945 9.986 -0.664 25 HA LEU 4 HA LEU 4 -10.786 7.119 -0.355 26 HB2 LEU 4 HB2 LEU 4 -9.890 8.919 -2.605 27 HB3 LEU 4 HB1 LEU 4 -9.926 7.169 -2.663 28 HG LEU 4 HG LEU 4 -12.334 8.978 -2.413 29 HD11 LEU 4 HD11 LEU 4 -11.347 9.046 -4.631 30 HD12 LEU 4 HD12 LEU 4 -12.872 8.159 -4.662 31 HD13 LEU 4 HD13 LEU 4 -11.341 7.282 -4.702 32 HD21 LEU 4 HD21 LEU 4 -12.678 6.890 -1.221 33 HD22 LEU 4 HD22 LEU 4 -12.145 5.976 -2.632 34 HD23 LEU 4 HD23 LEU 4 -13.637 6.915 -2.703 35 H LEU 5 HN LEU 5 -8.728 6.062 -1.162 36 HA LEU 5 HA LEU 5 -6.427 7.075 0.273 37 HB2 LEU 5 HB2 LEU 5 -6.678 4.750 0.438 38 HB3 LEU 5 HB1 LEU 5 -7.108 4.582 -1.250 39 HG LEU 5 HG LEU 5 -4.780 4.949 -1.901 40 HD11 LEU 5 HD11 LEU 5 -3.021 4.956 -0.160 41 HD12 LEU 5 HD12 LEU 5 -4.280 5.174 1.059 42 HD13 LEU 5 HD13 LEU 5 -4.015 6.412 -0.170 43 HD21 LEU 5 HD21 LEU 5 -5.119 2.841 0.225 44 HD22 LEU 5 HD22 LEU 5 -3.858 2.870 -1.008 45 HD23 LEU 5 HD23 LEU 5 -5.547 2.682 -1.478 46 H THR 6 HN THR 6 -5.041 8.467 -0.649 47 HA THR 6 HA THR 6 -4.993 8.636 -3.563 48 HB THR 6 HB THR 6 -3.585 10.816 -2.499 49 HG1 THR 6 HG1 THR 6 -4.425 10.889 -0.523 50 HG21 THR 6 HG21 THR 6 -5.038 10.794 -4.486 51 HG22 THR 6 HG22 THR 6 -5.471 12.095 -3.376 52 HG23 THR 6 HG23 THR 6 -6.446 10.626 -3.437 53 H THR 7 HN THR 7 -2.842 9.540 -4.409 54 HA THR 7 HA THR 7 -0.910 7.560 -4.292 55 HB THR 7 HB THR 7 0.536 9.539 -5.279 56 HG1 THR 7 HG1 THR 7 -0.564 11.351 -5.631 57 HG21 THR 7 HG21 THR 7 -1.938 8.481 -6.662 58 HG22 THR 7 HG22 THR 7 -0.384 7.654 -6.566 59 HG23 THR 7 HG23 THR 7 -0.521 9.170 -7.454 60 H ASP 8 HN ASP 8 -0.699 10.853 -2.921 61 HA ASP 8 HA ASP 8 1.762 10.487 -1.631 62 HB2 ASP 8 HB2 ASP 8 -0.496 12.408 -1.081 63 HB3 ASP 8 HB1 ASP 8 1.042 12.464 -0.226 64 H ASP 9 HN ASP 9 -1.530 9.962 -0.519 65 HA ASP 9 HA ASP 9 -0.999 9.501 2.188 66 HB2 ASP 9 HB2 ASP 9 -3.179 8.431 0.393 67 HB3 ASP 9 HB1 ASP 9 -3.151 8.183 2.134 68 H LEU 10 HN LEU 10 -1.169 7.223 -0.538 69 HA LEU 10 HA LEU 10 -0.517 4.927 0.964 70 HB2 LEU 10 HB2 LEU 10 -1.432 4.810 -1.314 71 HB3 LEU 10 HB1 LEU 10 0.043 5.518 -1.946 72 HG LEU 10 HG LEU 10 1.288 3.517 -1.069 73 HD11 LEU 10 HD11 LEU 10 -0.338 2.815 0.607 74 HD12 LEU 10 HD12 LEU 10 0.009 1.517 -0.535 75 HD13 LEU 10 HD13 LEU 10 -1.494 2.430 -0.669 76 HD21 LEU 10 HD21 LEU 10 -0.895 2.946 -3.073 77 HD22 LEU 10 HD22 LEU 10 0.621 2.058 -2.898 78 HD23 LEU 10 HD23 LEU 10 0.638 3.740 -3.428 79 H ARG 11 HN ARG 11 1.479 7.218 -0.865 80 HA ARG 11 HA ARG 11 3.955 6.008 -0.541 81 HB2 ARG 11 HB2 ARG 11 3.636 7.866 -2.055 82 HB3 ARG 11 HB1 ARG 11 3.280 8.948 -0.717 83 HG2 ARG 11 HG2 ARG 11 5.500 8.986 -0.004 84 HG3 ARG 11 HG1 ARG 11 5.908 7.532 -0.913 85 HD2 ARG 11 HD2 ARG 11 6.857 9.462 -1.997 86 HD3 ARG 11 HD1 ARG 11 5.592 8.772 -3.005 87 HE ARG 11 HE ARG 11 4.280 10.717 -1.678 88 HH11 ARG 11 HH11 ARG 11 7.304 10.649 -3.419 89 HH12 ARG 11 HH12 ARG 11 7.180 12.293 -3.986 90 HH21 ARG 11 HH21 ARG 11 4.100 12.905 -2.396 91 HH22 ARG 11 HH22 ARG 11 5.358 13.564 -3.400 92 H ARG 12 HN ARG 12 2.169 8.027 1.724 93 HA ARG 12 HA ARG 12 4.313 8.322 3.567 94 HB2 ARG 12 HB2 ARG 12 1.328 8.594 3.892 95 HB3 ARG 12 HB1 ARG 12 2.477 8.942 5.174 96 HG2 ARG 12 HG2 ARG 12 2.456 10.317 2.496 97 HG3 ARG 12 HG1 ARG 12 1.677 10.948 3.948 98 HD2 ARG 12 HD2 ARG 12 3.782 12.028 3.773 99 HD3 ARG 12 HD1 ARG 12 3.925 10.844 5.067 100 HE ARG 12 HE ARG 12 4.791 9.656 2.691 101 HH11 ARG 12 HH11 ARG 12 5.793 12.133 4.959 102 HH12 ARG 12 HH12 ARG 12 7.474 12.002 4.546 103 HH21 ARG 12 HH21 ARG 12 7.010 9.516 2.144 104 HH22 ARG 12 HH22 ARG 12 8.172 10.511 2.966 105 H ALA 13 HN ALA 13 1.839 5.891 3.074 106 HA ALA 13 HA ALA 13 1.960 4.645 5.594 107 HB1 ALA 13 HB1 ALA 13 0.131 4.254 4.054 108 HB2 ALA 13 HB2 ALA 13 0.906 2.725 4.471 109 HB3 ALA 13 HB3 ALA 13 1.228 3.482 2.911 110 H LEU 14 HN LEU 14 3.827 4.138 2.633 111 HA LEU 14 HA LEU 14 5.218 1.831 3.527 112 HB2 LEU 14 HB2 LEU 14 5.840 3.885 1.408 113 HB3 LEU 14 HB1 LEU 14 6.909 2.540 1.739 114 HG LEU 14 HG LEU 14 5.663 1.872 -0.126 115 HD11 LEU 14 HD11 LEU 14 5.773 0.121 1.544 116 HD12 LEU 14 HD12 LEU 14 4.266 0.020 0.634 117 HD13 LEU 14 HD13 LEU 14 4.268 0.691 2.266 118 HD21 LEU 14 HD21 LEU 14 3.180 2.820 1.280 119 HD22 LEU 14 HD22 LEU 14 3.227 2.007 -0.284 120 HD23 LEU 14 HD23 LEU 14 3.970 3.595 -0.093 121 H VAL 15 HN VAL 15 5.567 5.189 4.136 122 HA VAL 15 HA VAL 15 8.303 5.000 5.071 123 HB VAL 15 HB VAL 15 6.373 7.323 5.206 124 HG11 VAL 15 HG11 VAL 15 8.414 8.686 5.523 125 HG12 VAL 15 HG12 VAL 15 9.351 7.198 5.654 126 HG13 VAL 15 HG13 VAL 15 8.119 7.572 6.859 127 HG21 VAL 15 HG21 VAL 15 6.832 6.658 2.915 128 HG22 VAL 15 HG22 VAL 15 8.567 6.710 3.239 129 HG23 VAL 15 HG23 VAL 15 7.617 8.195 3.287 130 H GLU 16 HN GLU 16 5.094 4.853 6.336 131 HA GLU 16 HA GLU 16 5.808 5.225 9.078 132 HB2 GLU 16 HB2 GLU 16 3.395 3.967 7.775 133 HB3 GLU 16 HB1 GLU 16 3.554 4.225 9.507 134 HG2 GLU 16 HG2 GLU 16 3.662 6.610 9.188 135 HG3 GLU 16 HG1 GLU 16 3.648 6.408 7.436 136 H SER 17 HN SER 17 5.554 2.456 6.920 137 HA SER 17 HA SER 17 5.989 0.559 9.047 138 HB2 SER 17 HB2 SER 17 6.142 -1.070 7.106 139 HB3 SER 17 HB1 SER 17 4.620 -0.190 7.246 140 HG SER 17 HG SER 17 5.145 0.030 5.150 141 H ALA 18 HN ALA 18 7.832 1.365 6.095 142 HA ALA 18 HA ALA 18 10.247 0.351 7.427 143 HB1 ALA 18 HB1 ALA 18 9.760 -0.636 5.261 144 HB2 ALA 18 HB2 ALA 18 11.243 0.317 5.180 145 HB3 ALA 18 HB3 ALA 18 9.742 0.962 4.514 146 H GLY 19 HN GLY 19 9.305 3.059 5.305 147 HA2 GLY 19 HA2 GLY 19 9.706 5.337 5.930 148 HA3 GLY 19 HA1 GLY 19 11.060 4.791 6.908 149 H GLU 20 HN GLU 20 11.088 6.870 4.982 150 HA GLU 20 HA GLU 20 12.328 6.010 2.582 151 HB2 GLU 20 HB2 GLU 20 12.408 8.706 3.956 152 HB3 GLU 20 HB1 GLU 20 12.925 8.390 2.304 153 HG2 GLU 20 HG2 GLU 20 10.686 7.816 1.655 154 HG3 GLU 20 HG1 GLU 20 10.125 7.953 3.322 155 H THR 21 HN THR 21 14.177 4.925 2.623 156 HA THR 21 HA THR 21 16.271 5.770 4.500 157 HB THR 21 HB THR 21 17.198 3.418 4.014 158 HG1 THR 21 HG1 THR 21 14.583 2.589 3.570 159 HG21 THR 21 HG21 THR 21 15.736 2.417 5.729 160 HG22 THR 21 HG22 THR 21 14.628 3.778 5.551 161 HG23 THR 21 HG23 THR 21 16.259 4.045 6.164 162 H ASP 22 HN ASP 22 16.997 3.565 1.990 163 HA ASP 22 HA ASP 22 18.208 5.604 0.292 164 HB2 ASP 22 HB2 ASP 22 19.811 4.800 2.207 165 HB3 ASP 22 HB1 ASP 22 19.961 3.345 1.229 166 H GLY 23 HN GLY 23 18.982 4.674 -1.764 167 HA2 GLY 23 HA2 GLY 23 18.927 3.136 -3.503 168 HA3 GLY 23 HA1 GLY 23 18.335 1.932 -2.366 169 H THR 24 HN THR 24 16.020 2.521 -1.547 170 HA THR 24 HA THR 24 14.413 2.827 -3.972 171 HB THR 24 HB THR 24 13.943 0.791 -2.834 172 HG1 THR 24 HG1 THR 24 11.690 1.571 -1.874 173 HG21 THR 24 HG21 THR 24 13.529 2.418 -0.325 174 HG22 THR 24 HG22 THR 24 14.848 1.288 -0.642 175 HG23 THR 24 HG23 THR 24 13.193 0.695 -0.488 176 H ASP 25 HN ASP 25 14.366 5.035 -4.207 177 HA ASP 25 HA ASP 25 13.266 6.642 -2.028 178 HB2 ASP 25 HB2 ASP 25 15.158 7.656 -3.054 179 HB3 ASP 25 HB1 ASP 25 14.524 7.366 -4.670 180 H LEU 26 HN LEU 26 11.289 7.534 -2.054 181 HA LEU 26 HA LEU 26 9.473 6.538 -4.122 182 HB2 LEU 26 HB2 LEU 26 8.971 7.527 -1.314 183 HB3 LEU 26 HB1 LEU 26 7.686 7.151 -2.443 184 HG LEU 26 HG LEU 26 8.643 4.799 -2.558 185 HD11 LEU 26 HD11 LEU 26 10.108 5.721 -0.092 186 HD12 LEU 26 HD12 LEU 26 10.850 5.275 -1.628 187 HD13 LEU 26 HD13 LEU 26 9.997 4.061 -0.674 188 HD21 LEU 26 HD21 LEU 26 7.580 4.142 -0.426 189 HD22 LEU 26 HD22 LEU 26 6.609 5.277 -1.363 190 HD23 LEU 26 HD23 LEU 26 7.522 5.845 0.033 191 H SER 27 HN SER 27 11.226 9.169 -3.814 192 HA SER 27 HA SER 27 9.198 11.198 -4.126 193 HB2 SER 27 HB2 SER 27 12.174 11.422 -4.617 194 HB3 SER 27 HB1 SER 27 11.038 12.746 -4.359 195 HG SER 27 HG SER 27 11.898 10.774 -2.504 196 H GLY 28 HN GLY 28 8.055 10.397 -5.934 197 HA2 GLY 28 HA2 GLY 28 8.192 11.474 -8.302 198 HA3 GLY 28 HA1 GLY 28 9.523 10.334 -8.471 199 H ASP 29 HN ASP 29 9.003 8.515 -9.448 200 HA ASP 29 HA ASP 29 6.209 7.599 -9.339 201 HB2 ASP 29 HB2 ASP 29 6.709 6.303 -11.364 202 HB3 ASP 29 HB1 ASP 29 7.065 8.010 -11.606 203 H PHE 30 HN PHE 30 5.812 5.324 -9.026 204 HA PHE 30 HA PHE 30 7.827 3.551 -8.133 205 HB2 PHE 30 HB2 PHE 30 7.528 3.571 -5.760 206 HB3 PHE 30 HB1 PHE 30 7.828 5.234 -6.246 207 HD1 PHE 30 HD2 PHE 30 5.730 6.743 -6.571 208 HD2 PHE 30 HD1 PHE 30 5.716 3.053 -4.434 209 HE1 PHE 30 HE2 PHE 30 3.679 7.428 -5.393 210 HE2 PHE 30 HE1 PHE 30 3.667 3.738 -3.261 211 HZ PHE 30 HZ PHE 30 2.650 5.926 -3.736 212 H LEU 31 HN LEU 31 4.519 4.486 -8.426 213 HA LEU 31 HA LEU 31 3.172 2.261 -7.446 214 HB2 LEU 31 HB2 LEU 31 2.473 4.008 -9.801 215 HB3 LEU 31 HB1 LEU 31 1.369 2.896 -9.020 216 HG LEU 31 HG LEU 31 2.640 5.270 -7.664 217 HD11 LEU 31 HD11 LEU 31 1.100 5.956 -9.425 218 HD12 LEU 31 HD12 LEU 31 0.446 6.304 -7.825 219 HD13 LEU 31 HD13 LEU 31 -0.149 4.916 -8.736 220 HD21 LEU 31 HD21 LEU 31 0.893 4.841 -5.954 221 HD22 LEU 31 HD22 LEU 31 2.107 3.568 -6.068 222 HD23 LEU 31 HD23 LEU 31 0.513 3.332 -6.784 223 H ASP 32 HN ASP 32 5.137 2.553 -10.250 224 HA ASP 32 HA ASP 32 3.955 0.249 -11.596 225 HB2 ASP 32 HB2 ASP 32 6.319 1.951 -12.427 226 HB3 ASP 32 HB1 ASP 32 5.477 0.776 -13.429 227 H LEU 33 HN LEU 33 6.347 0.921 -9.348 228 HA LEU 33 HA LEU 33 8.138 -1.214 -10.128 229 HB2 LEU 33 HB2 LEU 33 8.138 0.567 -7.689 230 HB3 LEU 33 HB1 LEU 33 9.413 -0.554 -8.132 231 HG LEU 33 HG LEU 33 8.596 1.870 -9.745 232 HD11 LEU 33 HD11 LEU 33 10.990 1.391 -7.974 233 HD12 LEU 33 HD12 LEU 33 9.660 2.503 -7.650 234 HD13 LEU 33 HD13 LEU 33 10.746 2.797 -9.008 235 HD21 LEU 33 HD21 LEU 33 10.890 -0.064 -10.080 236 HD22 LEU 33 HD22 LEU 33 10.631 1.403 -11.023 237 HD23 LEU 33 HD23 LEU 33 9.482 0.071 -11.135 238 H ARG 34 HN ARG 34 7.998 -3.235 -9.405 239 HA ARG 34 HA ARG 34 5.802 -4.091 -7.823 240 HB2 ARG 34 HB2 ARG 34 8.324 -5.625 -8.486 241 HB3 ARG 34 HB1 ARG 34 6.785 -6.310 -7.974 242 HG2 ARG 34 HG2 ARG 34 5.744 -5.625 -10.029 243 HG3 ARG 34 HG1 ARG 34 7.200 -4.752 -10.514 244 HD2 ARG 34 HD2 ARG 34 8.419 -6.949 -10.400 245 HD3 ARG 34 HD1 ARG 34 6.848 -7.728 -10.219 246 HE ARG 34 HE ARG 34 6.272 -6.813 -12.415 247 HH11 ARG 34 HH11 ARG 34 9.661 -6.990 -11.519 248 HH12 ARG 34 HH12 ARG 34 10.221 -6.935 -13.164 249 HH21 ARG 34 HH21 ARG 34 6.997 -6.789 -14.567 250 HH22 ARG 34 HH22 ARG 34 8.704 -6.837 -14.905 251 H PHE 35 HN PHE 35 5.811 -5.025 -5.737 252 HA PHE 35 HA PHE 35 7.229 -3.687 -3.768 253 HB2 PHE 35 HB2 PHE 35 5.921 -6.411 -3.655 254 HB3 PHE 35 HB1 PHE 35 6.535 -5.561 -2.240 255 HD1 PHE 35 HD2 PHE 35 5.635 -3.065 -2.012 256 HD2 PHE 35 HD1 PHE 35 3.696 -6.177 -4.163 257 HE1 PHE 35 HE2 PHE 35 3.494 -1.872 -1.792 258 HE2 PHE 35 HE1 PHE 35 1.547 -4.991 -3.952 259 HZ PHE 35 HZ PHE 35 1.452 -2.816 -2.782 260 H GLU 36 HN GLU 36 8.074 -6.617 -5.500 261 HA GLU 36 HA GLU 36 10.271 -7.476 -4.004 262 HB2 GLU 36 HB2 GLU 36 9.852 -7.609 -7.000 263 HB3 GLU 36 HB1 GLU 36 11.049 -8.534 -6.106 264 HG2 GLU 36 HG2 GLU 36 9.187 -9.591 -4.838 265 HG3 GLU 36 HG1 GLU 36 8.056 -8.752 -5.899 266 H ASP 37 HN ASP 37 9.939 -4.801 -6.218 267 HA ASP 37 HA ASP 37 12.804 -4.521 -6.607 268 HB2 ASP 37 HB2 ASP 37 10.464 -2.891 -7.611 269 HB3 ASP 37 HB1 ASP 37 12.141 -2.521 -7.982 270 H ILE 38 HN ILE 38 10.226 -3.002 -4.780 271 HA ILE 38 HA ILE 38 11.967 -0.811 -4.001 272 HB ILE 38 HB ILE 38 10.011 0.001 -2.677 273 HG12 ILE 38 HG12 ILE 38 8.561 -2.271 -4.062 274 HG13 ILE 38 HG11 ILE 38 8.941 -2.215 -2.345 275 HG21 ILE 38 HG21 ILE 38 9.494 -0.531 -5.603 276 HG22 ILE 38 HG22 ILE 38 10.488 0.772 -4.952 277 HG23 ILE 38 HG23 ILE 38 8.756 0.738 -4.627 278 HD11 ILE 38 HD11 ILE 38 6.620 -1.607 -2.807 279 HD12 ILE 38 HD12 ILE 38 7.180 -0.254 -3.790 280 HD13 ILE 38 HD13 ILE 38 7.518 -0.287 -2.059 281 H GLY 39 HN GLY 39 12.065 -3.804 -3.129 282 HA2 GLY 39 HA2 GLY 39 13.247 -4.768 -1.414 283 HA3 GLY 39 HA1 GLY 39 13.469 -3.164 -0.744 284 H TYR 40 HN TYR 40 10.343 -4.748 -1.310 285 HA TYR 40 HA TYR 40 10.001 -4.756 1.604 286 HB2 TYR 40 HB2 TYR 40 8.053 -4.412 -0.640 287 HB3 TYR 40 HB1 TYR 40 7.496 -5.026 0.917 288 HD1 TYR 40 HD1 TYR 40 9.237 -2.173 -0.695 289 HD2 TYR 40 HD2 TYR 40 7.142 -3.567 2.728 290 HE1 TYR 40 HE1 TYR 40 9.103 0.130 0.156 291 HE2 TYR 40 HE2 TYR 40 7.007 -1.270 3.596 292 HH TYR 40 HH TYR 40 7.730 1.451 1.679 293 H ASP 41 HN ASP 41 10.021 -6.554 2.634 294 HA ASP 41 HA ASP 41 10.434 -9.002 1.209 295 HB2 ASP 41 HB2 ASP 41 10.921 -9.946 3.431 296 HB3 ASP 41 HB1 ASP 41 11.804 -8.453 3.154 297 H SER 42 HN SER 42 8.203 -8.110 3.812 298 HA SER 42 HA SER 42 5.862 -9.221 2.840 299 HB2 SER 42 HB2 SER 42 5.793 -11.388 4.099 300 HB3 SER 42 HB1 SER 42 7.010 -11.392 2.816 301 H LEU 43 HN LEU 43 7.902 -9.229 5.729 302 HA LEU 43 HA LEU 43 5.845 -8.722 7.594 303 HB2 LEU 43 HB2 LEU 43 8.417 -9.430 7.801 304 HB3 LEU 43 HB1 LEU 43 8.604 -7.713 8.088 305 HG LEU 43 HG LEU 43 8.460 -8.968 10.179 306 HD11 LEU 43 HD11 LEU 43 6.674 -7.687 11.256 307 HD12 LEU 43 HD12 LEU 43 6.053 -7.230 9.670 308 HD13 LEU 43 HD13 LEU 43 7.652 -6.689 10.181 309 HD21 LEU 43 HD21 LEU 43 7.115 -10.833 9.432 310 HD22 LEU 43 HD22 LEU 43 5.726 -9.771 9.200 311 HD23 LEU 43 HD23 LEU 43 6.358 -10.056 10.823 312 H ALA 44 HN ALA 44 8.145 -6.588 5.911 313 HA ALA 44 HA ALA 44 7.186 -4.173 7.015 314 HB1 ALA 44 HB1 ALA 44 8.333 -3.071 5.162 315 HB2 ALA 44 HB2 ALA 44 8.514 -4.625 4.349 316 HB3 ALA 44 HB3 ALA 44 9.341 -4.330 5.878 317 H LEU 45 HN LEU 45 5.987 -6.231 4.513 318 HA LEU 45 HA LEU 45 4.337 -4.267 3.244 319 HB2 LEU 45 HB2 LEU 45 5.188 -6.312 2.108 320 HB3 LEU 45 HB1 LEU 45 4.141 -7.279 3.130 321 HG LEU 45 HG LEU 45 2.177 -6.078 2.146 322 HD11 LEU 45 HD11 LEU 45 2.478 -4.834 0.084 323 HD12 LEU 45 HD12 LEU 45 4.226 -5.021 0.208 324 HD13 LEU 45 HD13 LEU 45 3.354 -4.062 1.405 325 HD21 LEU 45 HD21 LEU 45 2.834 -8.284 1.360 326 HD22 LEU 45 HD22 LEU 45 3.966 -7.553 0.222 327 HD23 LEU 45 HD23 LEU 45 2.233 -7.298 0.026 328 H MET 46 HN MET 46 3.771 -6.902 5.580 329 HA MET 46 HA MET 46 0.975 -6.466 5.732 330 HB2 MET 46 HB2 MET 46 0.992 -7.966 7.645 331 HB3 MET 46 HB1 MET 46 1.988 -8.607 6.349 332 HG2 MET 46 HG2 MET 46 3.992 -7.929 7.495 333 HG3 MET 46 HG1 MET 46 3.043 -7.155 8.763 334 HE1 MET 46 HE1 MET 46 0.682 -9.240 9.167 335 HE2 MET 46 HE2 MET 46 1.548 -8.498 10.514 336 HE3 MET 46 HE3 MET 46 1.327 -10.247 10.461 337 H GLU 47 HN GLU 47 3.698 -5.121 7.496 338 HA GLU 47 HA GLU 47 2.228 -3.884 9.559 339 HB2 GLU 47 HB2 GLU 47 4.830 -3.039 8.270 340 HB3 GLU 47 HB1 GLU 47 4.182 -2.357 9.754 341 HG2 GLU 47 HG2 GLU 47 4.996 -5.224 9.335 342 HG3 GLU 47 HG1 GLU 47 5.916 -3.997 10.204 343 H THR 48 HN THR 48 3.053 -2.878 6.295 344 HA THR 48 HA THR 48 2.102 -0.241 6.433 345 HB THR 48 HB THR 48 2.146 -2.030 3.996 346 HG1 THR 48 HG1 THR 48 4.224 -2.040 4.727 347 HG21 THR 48 HG21 THR 48 0.923 0.048 3.649 348 HG22 THR 48 HG22 THR 48 2.454 0.087 2.775 349 HG23 THR 48 HG23 THR 48 2.281 0.973 4.290 350 H ALA 49 HN ALA 49 0.481 -3.292 5.863 351 HA ALA 49 HA ALA 49 -1.915 -2.442 4.745 352 HB1 ALA 49 HB1 ALA 49 -2.852 -4.526 5.516 353 HB2 ALA 49 HB2 ALA 49 -1.558 -4.708 6.702 354 HB3 ALA 49 HB3 ALA 49 -1.193 -4.794 4.981 355 H ALA 50 HN ALA 50 -0.980 -2.665 8.153 356 HA ALA 50 HA ALA 50 -3.514 -2.162 9.267 357 HB1 ALA 50 HB1 ALA 50 -1.712 -3.111 10.581 358 HB2 ALA 50 HB2 ALA 50 -2.285 -1.620 11.327 359 HB3 ALA 50 HB3 ALA 50 -0.778 -1.626 10.412 360 H ARG 51 HN ARG 51 -1.022 -0.086 8.043 361 HA ARG 51 HA ARG 51 -1.894 2.335 9.220 362 HB2 ARG 51 HB2 ARG 51 -0.256 1.811 6.736 363 HB3 ARG 51 HB1 ARG 51 -0.468 3.389 7.472 364 HG2 ARG 51 HG2 ARG 51 0.789 1.013 8.813 365 HG3 ARG 51 HG1 ARG 51 1.666 2.356 8.075 366 HD2 ARG 51 HD2 ARG 51 0.862 3.897 9.666 367 HD3 ARG 51 HD1 ARG 51 -0.386 2.787 10.224 368 HE ARG 51 HE ARG 51 1.596 1.410 11.039 369 HH11 ARG 51 HH11 ARG 51 1.646 4.916 10.824 370 HH12 ARG 51 HH12 ARG 51 2.685 5.096 12.213 371 HH21 ARG 51 HH21 ARG 51 2.947 1.651 12.838 372 HH22 ARG 51 HH22 ARG 51 3.447 3.241 13.348 373 H LEU 52 HN LEU 52 -2.743 0.622 6.292 374 HA LEU 52 HA LEU 52 -4.331 2.817 5.271 375 HB2 LEU 52 HB2 LEU 52 -4.204 -0.047 4.320 376 HB3 LEU 52 HB1 LEU 52 -4.894 1.313 3.452 377 HG LEU 52 HG LEU 52 -1.970 1.063 4.167 378 HD11 LEU 52 HD11 LEU 52 -3.360 0.560 1.540 379 HD12 LEU 52 HD12 LEU 52 -2.629 -0.665 2.579 380 HD13 LEU 52 HD13 LEU 52 -1.617 0.556 1.807 381 HD21 LEU 52 HD21 LEU 52 -1.671 2.918 2.634 382 HD22 LEU 52 HD22 LEU 52 -2.797 3.367 3.915 383 HD23 LEU 52 HD23 LEU 52 -3.405 2.958 2.311 384 H GLU 53 HN GLU 53 -4.905 -0.403 6.632 385 HA GLU 53 HA GLU 53 -7.682 -0.433 6.383 386 HB2 GLU 53 HB2 GLU 53 -5.933 -1.780 8.446 387 HB3 GLU 53 HB1 GLU 53 -7.628 -2.160 8.171 388 HG2 GLU 53 HG2 GLU 53 -7.122 -2.870 5.905 389 HG3 GLU 53 HG1 GLU 53 -5.428 -2.446 6.138 390 H SER 54 HN SER 54 -5.698 0.502 9.194 391 HA SER 54 HA SER 54 -7.912 1.120 10.845 392 HB2 SER 54 HB2 SER 54 -5.608 0.558 11.652 393 HB3 SER 54 HB1 SER 54 -5.079 2.152 11.117 394 HG SER 54 HG SER 54 -7.066 1.576 13.068 395 H ARG 55 HN ARG 55 -6.368 2.864 8.327 396 HA ARG 55 HA ARG 55 -7.056 5.480 9.350 397 HB2 ARG 55 HB2 ARG 55 -5.005 5.152 8.044 398 HB3 ARG 55 HB1 ARG 55 -5.960 4.645 6.659 399 HG2 ARG 55 HG2 ARG 55 -6.903 6.842 6.436 400 HG3 ARG 55 HG1 ARG 55 -6.117 7.374 7.925 401 HD2 ARG 55 HD2 ARG 55 -4.737 6.490 5.394 402 HD3 ARG 55 HD1 ARG 55 -4.882 8.150 5.978 403 HE ARG 55 HE ARG 55 -3.694 6.907 8.045 404 HH11 ARG 55 HH11 ARG 55 -2.935 7.014 4.627 405 HH12 ARG 55 HH12 ARG 55 -1.237 6.769 4.879 406 HH21 ARG 55 HH21 ARG 55 -1.484 6.606 8.371 407 HH22 ARG 55 HH22 ARG 55 -0.399 6.525 7.010 408 H TYR 56 HN TYR 56 -8.135 3.381 6.685 409 HA TYR 56 HA TYR 56 -10.265 5.307 6.103 410 HB2 TYR 56 HB2 TYR 56 -9.330 2.920 4.508 411 HB3 TYR 56 HB1 TYR 56 -10.534 4.096 3.988 412 HD1 TYR 56 HD2 TYR 56 -9.827 6.470 3.574 413 HD2 TYR 56 HD1 TYR 56 -7.004 3.362 4.267 414 HE1 TYR 56 HE2 TYR 56 -8.057 7.866 2.594 415 HE2 TYR 56 HE1 TYR 56 -5.227 4.752 3.284 416 HH TYR 56 HH TYR 56 -4.920 6.612 1.852 417 H GLY 57 HN GLY 57 -9.915 2.771 8.080 418 HA2 GLY 57 HA2 GLY 57 -11.463 1.528 9.245 419 HA3 GLY 57 HA1 GLY 57 -12.720 2.405 8.387 420 H VAL 58 HN VAL 58 -10.177 0.509 6.900 421 HA VAL 58 HA VAL 58 -12.259 -1.240 5.772 422 HB VAL 58 HB VAL 58 -10.804 -1.598 3.853 423 HG11 VAL 58 HG11 VAL 58 -12.363 0.254 3.756 424 HG12 VAL 58 HG12 VAL 58 -10.884 0.645 2.876 425 HG13 VAL 58 HG13 VAL 58 -11.163 1.325 4.479 426 HG21 VAL 58 HG21 VAL 58 -8.737 -0.305 3.558 427 HG22 VAL 58 HG22 VAL 58 -8.636 -1.403 4.936 428 HG23 VAL 58 HG23 VAL 58 -8.903 0.321 5.199 429 H SER 59 HN SER 59 -10.860 -3.262 4.770 430 HA SER 59 HA SER 59 -8.799 -4.218 6.514 431 HB2 SER 59 HB2 SER 59 -10.066 -6.355 6.984 432 HB3 SER 59 HB1 SER 59 -10.643 -4.934 7.851 433 HG SER 59 HG SER 59 -11.859 -5.284 5.419 434 H ILE 60 HN ILE 60 -7.474 -5.566 5.421 435 HA ILE 60 HA ILE 60 -8.144 -5.966 2.596 436 HB ILE 60 HB ILE 60 -5.468 -6.273 3.970 437 HG12 ILE 60 HG12 ILE 60 -6.535 -3.965 2.327 438 HG13 ILE 60 HG11 ILE 60 -6.358 -3.959 4.078 439 HG21 ILE 60 HG21 ILE 60 -6.206 -6.120 1.050 440 HG22 ILE 60 HG22 ILE 60 -5.631 -7.550 1.907 441 HG23 ILE 60 HG23 ILE 60 -4.563 -6.164 1.687 442 HD11 ILE 60 HD11 ILE 60 -4.129 -4.217 2.078 443 HD12 ILE 60 HD12 ILE 60 -3.947 -4.210 3.834 444 HD13 ILE 60 HD13 ILE 60 -4.544 -2.774 3.001 445 HA PRO 61 HA PRO 61 -8.902 -10.302 3.557 446 HB2 PRO 61 HB2 PRO 61 -9.089 -10.506 0.621 447 HB3 PRO 61 HB1 PRO 61 -10.283 -10.923 1.853 448 HG2 PRO 61 HG2 PRO 61 -10.594 -8.778 0.287 449 HG3 PRO 61 HG1 PRO 61 -11.094 -8.764 1.985 450 HD2 PRO 61 HD2 PRO 61 -8.645 -7.595 0.728 451 HD3 PRO 61 HD1 PRO 61 -9.700 -6.916 1.985 452 H ASP 62 HN ASP 62 -7.529 -11.984 3.666 453 HA ASP 62 HA ASP 62 -4.824 -11.598 3.009 454 HB2 ASP 62 HB2 ASP 62 -4.526 -13.926 3.827 455 HB3 ASP 62 HB1 ASP 62 -5.454 -12.916 4.929 456 H ASP 63 HN ASP 63 -7.406 -13.070 1.218 457 HA ASP 63 HA ASP 63 -5.686 -14.454 -0.634 458 HB2 ASP 63 HB2 ASP 63 -7.974 -15.236 -0.368 459 HB3 ASP 63 HB1 ASP 63 -8.602 -13.658 -0.829 460 H VAL 64 HN VAL 64 -7.554 -11.455 -0.695 461 HA VAL 64 HA VAL 64 -6.827 -10.812 -3.366 462 HB VAL 64 HB VAL 64 -7.884 -8.914 -1.278 463 HG11 VAL 64 HG11 VAL 64 -7.086 -7.831 -3.302 464 HG12 VAL 64 HG12 VAL 64 -8.845 -7.742 -3.209 465 HG13 VAL 64 HG13 VAL 64 -8.077 -8.906 -4.288 466 HG21 VAL 64 HG21 VAL 64 -9.309 -10.884 -1.362 467 HG22 VAL 64 HG22 VAL 64 -9.425 -10.746 -3.116 468 HG23 VAL 64 HG23 VAL 64 -10.125 -9.498 -2.086 469 H ALA 65 HN ALA 65 -5.457 -10.152 -0.235 470 HA ALA 65 HA ALA 65 -3.758 -8.010 -0.865 471 HB1 ALA 65 HB1 ALA 65 -2.466 -8.696 1.096 472 HB2 ALA 65 HB2 ALA 65 -3.329 -10.235 1.124 473 HB3 ALA 65 HB3 ALA 65 -4.198 -8.730 1.424 474 H GLY 66 HN GLY 66 -3.449 -11.444 -1.388 475 HA2 GLY 66 HA2 GLY 66 -0.661 -11.183 -2.204 476 HA3 GLY 66 HA1 GLY 66 -1.561 -12.682 -2.052 477 H ARG 67 HN ARG 67 -3.299 -10.330 -3.730 478 HA ARG 67 HA ARG 67 -2.853 -11.773 -6.220 479 HB2 ARG 67 HB2 ARG 67 -4.883 -9.652 -5.498 480 HB3 ARG 67 HB1 ARG 67 -4.820 -10.503 -7.033 481 HG2 ARG 67 HG2 ARG 67 -5.286 -11.797 -4.355 482 HG3 ARG 67 HG1 ARG 67 -6.542 -11.379 -5.519 483 HD2 ARG 67 HD2 ARG 67 -5.629 -12.907 -7.129 484 HD3 ARG 67 HD1 ARG 67 -4.248 -13.241 -6.089 485 HE ARG 67 HE ARG 67 -6.461 -13.906 -4.591 486 HH11 ARG 67 HH11 ARG 67 -5.220 -14.855 -7.723 487 HH12 ARG 67 HH12 ARG 67 -5.755 -16.503 -7.584 488 HH21 ARG 67 HH21 ARG 67 -7.182 -16.072 -4.394 489 HH22 ARG 67 HH22 ARG 67 -6.904 -17.184 -5.705 490 H VAL 68 HN VAL 68 -2.111 -8.741 -4.734 491 HA VAL 68 HA VAL 68 -1.465 -7.512 -7.305 492 HB VAL 68 HB VAL 68 -1.075 -5.446 -6.034 493 HG11 VAL 68 HG11 VAL 68 -3.712 -6.785 -5.455 494 HG12 VAL 68 HG12 VAL 68 -3.286 -5.884 -6.911 495 HG13 VAL 68 HG13 VAL 68 -3.404 -5.049 -5.362 496 HG21 VAL 68 HG21 VAL 68 -1.689 -5.338 -3.647 497 HG22 VAL 68 HG22 VAL 68 -0.291 -6.373 -3.938 498 HG23 VAL 68 HG23 VAL 68 -1.872 -7.093 -3.634 499 H ASP 69 HN ASP 69 0.579 -6.544 -7.703 500 HA ASP 69 HA ASP 69 2.776 -7.359 -5.931 501 HB2 ASP 69 HB2 ASP 69 4.177 -7.933 -7.843 502 HB3 ASP 69 HB1 ASP 69 2.725 -8.919 -7.848 503 H THR 70 HN THR 70 1.196 -4.967 -7.675 504 HA THR 70 HA THR 70 3.486 -3.155 -7.337 505 HB THR 70 HB THR 70 2.525 -1.848 -9.294 506 HG1 THR 70 HG1 THR 70 1.053 -4.276 -9.540 507 HG21 THR 70 HG21 THR 70 3.601 -3.302 -10.969 508 HG22 THR 70 HG22 THR 70 3.615 -4.621 -9.796 509 HG23 THR 70 HG23 THR 70 4.563 -3.162 -9.496 510 HA PRO 71 HA PRO 71 1.134 -0.788 -4.512 511 HB2 PRO 71 HB2 PRO 71 2.249 1.532 -6.021 512 HB3 PRO 71 HB1 PRO 71 2.247 1.226 -4.282 513 HG2 PRO 71 HG2 PRO 71 4.456 0.840 -5.690 514 HG3 PRO 71 HG1 PRO 71 3.989 -0.320 -4.430 515 HD2 PRO 71 HD2 PRO 71 3.783 -0.562 -7.403 516 HD3 PRO 71 HD1 PRO 71 4.159 -1.801 -6.189 517 H ARG 72 HN ARG 72 1.016 0.447 -7.854 518 HA ARG 72 HA ARG 72 -1.133 2.181 -7.594 519 HB2 ARG 72 HB2 ARG 72 0.184 2.174 -9.600 520 HB3 ARG 72 HB1 ARG 72 -0.285 0.522 -9.971 521 HG2 ARG 72 HG2 ARG 72 -2.605 1.259 -10.278 522 HG3 ARG 72 HG1 ARG 72 -2.111 2.917 -9.934 523 HD2 ARG 72 HD2 ARG 72 -1.055 1.232 -12.191 524 HD3 ARG 72 HD1 ARG 72 -2.324 2.442 -12.342 525 HE ARG 72 HE ARG 72 -0.677 4.120 -11.671 526 HH11 ARG 72 HH11 ARG 72 0.580 1.047 -12.881 527 HH12 ARG 72 HH12 ARG 72 2.101 1.743 -13.370 528 HH21 ARG 72 HH21 ARG 72 1.320 4.997 -12.345 529 HH22 ARG 72 HH22 ARG 72 2.533 3.950 -13.039 530 H GLU 73 HN GLU 73 -1.170 -1.271 -8.357 531 HA GLU 73 HA GLU 73 -3.946 -1.420 -8.859 532 HB2 GLU 73 HB2 GLU 73 -2.305 -3.737 -7.872 533 HB3 GLU 73 HB1 GLU 73 -3.663 -3.750 -8.988 534 HG2 GLU 73 HG2 GLU 73 -0.888 -2.722 -9.541 535 HG3 GLU 73 HG1 GLU 73 -1.622 -4.189 -10.180 536 H LEU 74 HN LEU 74 -1.975 -1.893 -5.993 537 HA LEU 74 HA LEU 74 -3.997 -2.886 -4.286 538 HB2 LEU 74 HB2 LEU 74 -1.471 -2.936 -3.965 539 HB3 LEU 74 HB1 LEU 74 -1.584 -1.258 -3.483 540 HG LEU 74 HG LEU 74 -1.435 -2.983 -1.621 541 HD11 LEU 74 HD11 LEU 74 -3.788 -1.099 -1.599 542 HD12 LEU 74 HD12 LEU 74 -2.120 -0.686 -1.196 543 HD13 LEU 74 HD13 LEU 74 -3.019 -1.815 -0.183 544 HD21 LEU 74 HD21 LEU 74 -4.298 -3.470 -2.428 545 HD22 LEU 74 HD22 LEU 74 -3.518 -4.081 -0.969 546 HD23 LEU 74 HD23 LEU 74 -2.973 -4.626 -2.557 547 H LEU 75 HN LEU 75 -2.740 0.365 -4.889 548 HA LEU 75 HA LEU 75 -4.325 1.783 -3.075 549 HB2 LEU 75 HB2 LEU 75 -2.319 2.529 -4.522 550 HB3 LEU 75 HB1 LEU 75 -3.505 2.849 -5.768 551 HG LEU 75 HG LEU 75 -3.730 4.127 -3.053 552 HD11 LEU 75 HD11 LEU 75 -2.224 5.185 -5.443 553 HD12 LEU 75 HD12 LEU 75 -1.493 4.627 -3.939 554 HD13 LEU 75 HD13 LEU 75 -2.533 6.054 -3.941 555 HD21 LEU 75 HD21 LEU 75 -4.990 5.792 -4.238 556 HD22 LEU 75 HD22 LEU 75 -5.665 4.197 -4.575 557 HD23 LEU 75 HD23 LEU 75 -4.657 5.000 -5.780 558 H ASP 76 HN ASP 76 -4.914 1.055 -6.509 559 HA ASP 76 HA ASP 76 -7.436 2.326 -6.667 560 HB2 ASP 76 HB2 ASP 76 -6.057 1.783 -8.641 561 HB3 ASP 76 HB1 ASP 76 -6.317 0.068 -8.345 562 H LEU 77 HN LEU 77 -6.430 -0.886 -5.748 563 HA LEU 77 HA LEU 77 -8.860 -2.246 -5.918 564 HB2 LEU 77 HB2 LEU 77 -6.779 -3.422 -5.645 565 HB3 LEU 77 HB1 LEU 77 -6.465 -2.616 -4.121 566 HG LEU 77 HG LEU 77 -8.463 -3.801 -3.174 567 HD11 LEU 77 HD11 LEU 77 -9.621 -4.313 -5.241 568 HD12 LEU 77 HD12 LEU 77 -9.259 -5.794 -4.353 569 HD13 LEU 77 HD13 LEU 77 -8.285 -5.344 -5.753 570 HD21 LEU 77 HD21 LEU 77 -6.199 -5.496 -4.222 571 HD22 LEU 77 HD22 LEU 77 -7.287 -5.935 -2.906 572 HD23 LEU 77 HD23 LEU 77 -6.198 -4.559 -2.728 573 H ILE 78 HN ILE 78 -7.362 -0.680 -3.079 574 HA ILE 78 HA ILE 78 -9.491 -1.262 -1.320 575 HB ILE 78 HB ILE 78 -7.443 0.951 -1.118 576 HG12 ILE 78 HG12 ILE 78 -7.478 -1.869 -0.023 577 HG13 ILE 78 HG11 ILE 78 -6.415 -1.254 -1.284 578 HG21 ILE 78 HG21 ILE 78 -7.944 0.957 1.267 579 HG22 ILE 78 HG22 ILE 78 -9.178 -0.278 1.022 580 HG23 ILE 78 HG23 ILE 78 -9.388 1.330 0.326 581 HD11 ILE 78 HD11 ILE 78 -6.433 -0.435 1.613 582 HD12 ILE 78 HD12 ILE 78 -5.414 0.282 0.363 583 HD13 ILE 78 HD13 ILE 78 -5.219 -1.417 0.792 584 H ASN 79 HN ASN 79 -8.833 1.487 -3.420 585 HA ASN 79 HA ASN 79 -10.881 3.160 -2.413 586 HB2 ASN 79 HB2 ASN 79 -9.355 3.123 -5.005 587 HB3 ASN 79 HB1 ASN 79 -10.665 4.271 -4.735 588 HD21 ASN 79 HD21 ASN 79 -7.818 4.762 -5.095 589 HD22 ASN 79 HD22 ASN 79 -7.281 5.605 -3.683 590 H GLY 80 HN GLY 80 -10.897 0.509 -4.667 591 HA2 GLY 80 HA2 GLY 80 -13.346 0.968 -5.945 592 HA3 GLY 80 HA1 GLY 80 -12.667 -0.620 -5.614 593 H ALA 81 HN ALA 81 -12.643 -0.430 -2.781 594 HA ALA 81 HA ALA 81 -15.349 -1.189 -2.242 595 HB1 ALA 81 HB1 ALA 81 -14.539 -1.643 0.025 596 HB2 ALA 81 HB2 ALA 81 -13.010 -0.854 -0.364 597 HB3 ALA 81 HB3 ALA 81 -13.474 -2.339 -1.196 598 H LEU 82 HN LEU 82 -13.458 1.687 -1.796 599 HA LEU 82 HA LEU 82 -15.284 2.892 0.085 600 HB2 LEU 82 HB2 LEU 82 -12.988 4.077 -1.479 601 HB3 LEU 82 HB1 LEU 82 -13.874 4.900 -0.212 602 HG LEU 82 HG LEU 82 -12.207 2.408 0.185 603 HD11 LEU 82 HD11 LEU 82 -10.659 3.906 1.363 604 HD12 LEU 82 HD12 LEU 82 -11.641 5.291 0.878 605 HD13 LEU 82 HD13 LEU 82 -10.814 4.325 -0.343 606 HD21 LEU 82 HD21 LEU 82 -13.558 4.225 2.180 607 HD22 LEU 82 HD22 LEU 82 -12.559 2.819 2.555 608 HD23 LEU 82 HD23 LEU 82 -14.103 2.611 1.731 609 H ALA 83 HN ALA 83 -14.655 3.028 -3.366 610 HA ALA 83 HA ALA 83 -16.163 5.346 -3.944 611 HB1 ALA 83 HB1 ALA 83 -15.539 3.035 -5.775 612 HB2 ALA 83 HB2 ALA 83 -14.469 4.399 -5.458 613 HB3 ALA 83 HB3 ALA 83 -16.018 4.661 -6.261 614 H GLU 84 HN GLU 84 -17.072 1.998 -3.521 615 HA GLU 84 HA GLU 84 -19.762 2.519 -4.496 616 HB2 GLU 84 HB2 GLU 84 -18.425 0.024 -3.451 617 HB3 GLU 84 HB1 GLU 84 -20.130 0.095 -3.871 618 HG2 GLU 84 HG2 GLU 84 -19.440 0.824 -6.168 619 HG3 GLU 84 HG1 GLU 84 -17.775 0.468 -5.706 620 H ALA 85 HN ALA 85 -18.201 3.191 -1.720 621 HA ALA 85 HA ALA 85 -20.432 2.488 0.048 622 HB1 ALA 85 HB1 ALA 85 -18.187 1.881 0.819 623 HB2 ALA 85 HB2 ALA 85 -18.931 3.068 1.890 624 HB3 ALA 85 HB3 ALA 85 -17.699 3.575 0.734 625 H ALA 86 HN ALA 86 -18.256 5.307 -0.308 626 HA ALA 86 HA ALA 86 -20.619 7.041 -0.081 627 HB1 ALA 86 HB1 ALA 86 -18.031 7.410 1.426 628 HB2 ALA 86 HB2 ALA 86 -19.576 6.916 2.120 629 HB3 ALA 86 HB3 ALA 86 -19.393 8.527 1.426 630 H28 SXO 87 H28B SXO 87 5.815 -11.712 6.470 631 H28A SXO 87 H28A SXO 87 6.710 -12.798 7.539 632 H30 SXO 87 H30A SXO 87 3.112 -13.171 8.345 633 H30A SXO 87 H30C SXO 87 4.690 -12.804 9.033 634 H30B SXO 87 H30B SXO 87 3.960 -11.698 7.867 635 H31 SXO 87 H31A SXO 87 3.608 -12.499 5.493 636 H31A SXO 87 H31B SXO 87 2.910 -14.019 6.043 637 H31B SXO 87 H31C SXO 87 4.320 -14.033 4.983 638 H32 SXO 87 H32A SXO 87 5.567 -14.925 8.412 639 HO33 SXO 87 H33A SXO 87 6.350 -14.851 5.955 640 HN36 SXO 87 H36A SXO 87 3.113 -14.670 9.032 641 H37 SXO 87 H37A SXO 87 1.863 -17.233 8.687 642 H37A SXO 87 H37B SXO 87 1.301 -15.905 9.703 643 H38 SXO 87 H38B SXO 87 -0.288 -16.398 7.925 644 H38A SXO 87 H38A SXO 87 0.962 -16.128 6.716 645 HN41 SXO 87 H41A SXO 87 -0.626 -14.675 5.875 646 H42 SXO 87 H42A SXO 87 -1.379 -12.247 7.155 647 H42A SXO 87 H42B SXO 87 -0.017 -12.015 6.058 648 H43 SXO 87 H43B SXO 87 -2.707 -13.170 5.325 649 H43A SXO 87 H43A SXO 87 -2.098 -11.567 4.894 650 H2 SXO 87 H2A SXO 87 -1.661 -10.695 3.279 651 H2A SXO 87 H2B SXO 87 -0.371 -10.241 2.168 652 H3 SXO 87 H3B SXO 87 -0.185 -9.955 5.161 653 H3A SXO 87 H3A SXO 87 0.937 -9.328 3.949 654 H4 SXO 87 H4A SXO 87 -0.632 -7.629 4.897 655 H4A SXO 87 H4B SXO 87 -1.960 -8.519 4.153 656 H5 SXO 87 H5B SXO 87 0.280 -7.043 2.801 657 H5A SXO 87 H5A SXO 87 -0.708 -8.233 1.946 658 H6 SXO 87 H6A SXO 87 -1.847 -5.865 3.427 659 H6A SXO 87 H6B SXO 87 -2.698 -6.970 2.351 660 H7 SXO 87 H7A SXO 87 -2.293 -4.955 1.133 661 H7A SXO 87 H7B SXO 87 -1.187 -6.185 0.502 662 H8 SXO 87 H8C SXO 87 -0.066 -4.029 0.827 663 H8A SXO 87 H8A SXO 87 0.612 -5.277 1.875 664 H8B SXO 87 H8B SXO 87 -0.491 -4.070 2.538 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -14.831 16.878 5.838 2 H2 MET 1 HT2 MET 1 -13.293 16.249 5.510 3 H3 MET 1 HT3 MET 1 -14.240 15.572 6.742 4 HA MET 1 HA MET 1 -15.847 14.801 5.162 5 HB2 MET 1 HB2 MET 1 -13.946 15.958 3.111 6 HB3 MET 1 HB1 MET 1 -15.369 14.991 2.748 7 HG2 MET 1 HG2 MET 1 -16.809 16.703 3.675 8 HG3 MET 1 HG1 MET 1 -15.405 17.654 4.151 9 HE1 MET 1 HE1 MET 1 -16.023 15.631 0.820 10 HE2 MET 1 HE2 MET 1 -16.674 16.900 -0.221 11 HE3 MET 1 HE3 MET 1 -17.594 16.353 1.178 12 H ALA 2 HN ALA 2 -15.242 12.956 3.426 13 HA ALA 2 HA ALA 2 -13.255 11.347 4.834 14 HB1 ALA 2 HB1 ALA 2 -15.297 10.607 2.740 15 HB2 ALA 2 HB2 ALA 2 -15.429 10.350 4.479 16 HB3 ALA 2 HB3 ALA 2 -14.218 9.470 3.545 17 H THR 3 HN THR 3 -11.369 10.670 3.971 18 HA THR 3 HA THR 3 -10.805 11.556 1.231 19 HB THR 3 HB THR 3 -9.359 12.646 2.865 20 HG1 THR 3 HG1 THR 3 -7.765 10.688 1.562 21 HG21 THR 3 HG21 THR 3 -8.442 9.865 3.609 22 HG22 THR 3 HG22 THR 3 -9.424 10.926 4.622 23 HG23 THR 3 HG23 THR 3 -7.767 11.379 4.214 24 H LEU 4 HN LEU 4 -10.228 10.128 -0.271 25 HA LEU 4 HA LEU 4 -10.248 7.308 0.346 26 HB2 LEU 4 HB2 LEU 4 -9.726 8.773 -2.243 27 HB3 LEU 4 HB1 LEU 4 -9.886 7.034 -2.088 28 HG LEU 4 HG LEU 4 -12.052 9.067 -1.547 29 HD11 LEU 4 HD11 LEU 4 -13.132 8.019 -3.507 30 HD12 LEU 4 HD12 LEU 4 -11.661 7.082 -3.779 31 HD13 LEU 4 HD13 LEU 4 -11.622 8.841 -3.902 32 HD21 LEU 4 HD21 LEU 4 -13.520 7.119 -1.279 33 HD22 LEU 4 HD22 LEU 4 -12.259 7.171 -0.048 34 HD23 LEU 4 HD23 LEU 4 -12.119 6.054 -1.408 35 H LEU 5 HN LEU 5 -8.396 6.103 -1.083 36 HA LEU 5 HA LEU 5 -5.951 6.797 0.306 37 HB2 LEU 5 HB2 LEU 5 -6.931 4.439 -0.081 38 HB3 LEU 5 HB1 LEU 5 -6.313 4.586 -1.713 39 HG LEU 5 HG LEU 5 -4.556 4.799 0.735 40 HD11 LEU 5 HD11 LEU 5 -5.150 2.385 -0.969 41 HD12 LEU 5 HD12 LEU 5 -5.603 2.611 0.720 42 HD13 LEU 5 HD13 LEU 5 -3.903 2.483 0.272 43 HD21 LEU 5 HD21 LEU 5 -3.929 4.276 -2.168 44 HD22 LEU 5 HD22 LEU 5 -2.764 4.307 -0.844 45 HD23 LEU 5 HD23 LEU 5 -3.627 5.778 -1.294 46 H THR 6 HN THR 6 -4.443 8.078 -0.536 47 HA THR 6 HA THR 6 -4.481 8.547 -3.447 48 HB THR 6 HB THR 6 -3.524 10.739 -3.040 49 HG1 THR 6 HG1 THR 6 -3.826 10.499 -0.243 50 HG21 THR 6 HG21 THR 6 -5.381 11.797 -1.844 51 HG22 THR 6 HG22 THR 6 -5.875 10.223 -1.221 52 HG23 THR 6 HG23 THR 6 -5.954 10.550 -2.952 53 H THR 7 HN THR 7 -2.290 9.163 -4.369 54 HA THR 7 HA THR 7 -0.343 7.240 -3.794 55 HB THR 7 HB THR 7 1.240 8.870 -5.035 56 HG1 THR 7 HG1 THR 7 -0.755 10.521 -4.657 57 HG21 THR 7 HG21 THR 7 0.250 8.245 -7.189 58 HG22 THR 7 HG22 THR 7 -1.247 7.797 -6.369 59 HG23 THR 7 HG23 THR 7 0.238 6.896 -6.052 60 H ASP 8 HN ASP 8 -0.808 10.481 -2.489 61 HA ASP 8 HA ASP 8 1.741 10.582 -1.194 62 HB2 ASP 8 HB2 ASP 8 0.475 12.636 -1.710 63 HB3 ASP 8 HB1 ASP 8 -0.775 12.144 -0.569 64 H ASP 9 HN ASP 9 -1.545 9.769 -0.117 65 HA ASP 9 HA ASP 9 -0.947 9.238 2.565 66 HB2 ASP 9 HB2 ASP 9 -3.071 8.234 0.698 67 HB3 ASP 9 HB1 ASP 9 -2.925 7.554 2.315 68 H LEU 10 HN LEU 10 -1.053 7.027 -0.211 69 HA LEU 10 HA LEU 10 -0.240 4.723 1.165 70 HB2 LEU 10 HB2 LEU 10 -1.209 4.747 -1.113 71 HB3 LEU 10 HB1 LEU 10 0.272 5.462 -1.719 72 HG LEU 10 HG LEU 10 1.510 3.422 -1.069 73 HD11 LEU 10 HD11 LEU 10 -1.212 2.296 -0.408 74 HD12 LEU 10 HD12 LEU 10 0.040 2.702 0.768 75 HD13 LEU 10 HD13 LEU 10 0.318 1.417 -0.408 76 HD21 LEU 10 HD21 LEU 10 -0.886 2.934 -2.830 77 HD22 LEU 10 HD22 LEU 10 0.601 1.985 -2.820 78 HD23 LEU 10 HD23 LEU 10 0.633 3.674 -3.326 79 H ARG 11 HN ARG 11 1.637 7.159 -0.596 80 HA ARG 11 HA ARG 11 4.177 6.095 -0.347 81 HB2 ARG 11 HB2 ARG 11 3.656 8.064 -1.711 82 HB3 ARG 11 HB1 ARG 11 3.348 9.000 -0.255 83 HG2 ARG 11 HG2 ARG 11 5.638 8.908 0.376 84 HG3 ARG 11 HG1 ARG 11 6.002 7.756 -0.912 85 HD2 ARG 11 HD2 ARG 11 6.728 9.982 -1.534 86 HD3 ARG 11 HD1 ARG 11 5.419 9.444 -2.579 87 HE ARG 11 HE ARG 11 4.211 10.881 -0.575 88 HH11 ARG 11 HH11 ARG 11 6.623 11.506 -3.061 89 HH12 ARG 11 HH12 ARG 11 6.241 13.201 -3.164 90 HH21 ARG 11 HH21 ARG 11 3.706 13.113 -0.747 91 HH22 ARG 11 HH22 ARG 11 4.610 14.101 -1.864 92 H ARG 12 HN ARG 12 2.465 8.261 1.903 93 HA ARG 12 HA ARG 12 4.578 8.341 3.799 94 HB2 ARG 12 HB2 ARG 12 1.634 8.945 4.114 95 HB3 ARG 12 HB1 ARG 12 2.850 9.265 5.341 96 HG2 ARG 12 HG2 ARG 12 4.014 10.749 3.722 97 HG3 ARG 12 HG1 ARG 12 2.666 10.512 2.607 98 HD2 ARG 12 HD2 ARG 12 2.354 12.578 3.823 99 HD3 ARG 12 HD1 ARG 12 1.134 11.409 4.329 100 HE ARG 12 HE ARG 12 3.300 11.186 6.067 101 HH11 ARG 12 HH11 ARG 12 0.856 13.538 5.193 102 HH12 ARG 12 HH12 ARG 12 0.852 14.290 6.760 103 HH21 ARG 12 HH21 ARG 12 3.295 12.194 8.134 104 HH22 ARG 12 HH22 ARG 12 2.221 13.534 8.425 105 H ALA 13 HN ALA 13 1.760 6.290 3.381 106 HA ALA 13 HA ALA 13 1.709 5.062 5.886 107 HB1 ALA 13 HB1 ALA 13 0.951 3.891 3.206 108 HB2 ALA 13 HB2 ALA 13 -0.095 4.855 4.255 109 HB3 ALA 13 HB3 ALA 13 0.460 3.267 4.783 110 H LEU 14 HN LEU 14 3.488 4.216 2.954 111 HA LEU 14 HA LEU 14 4.628 1.834 3.962 112 HB2 LEU 14 HB2 LEU 14 5.468 3.689 1.744 113 HB3 LEU 14 HB1 LEU 14 6.247 2.152 2.074 114 HG LEU 14 HG LEU 14 3.337 1.962 1.764 115 HD11 LEU 14 HD11 LEU 14 5.055 2.893 -0.526 116 HD12 LEU 14 HD12 LEU 14 3.618 3.675 0.137 117 HD13 LEU 14 HD13 LEU 14 3.471 2.141 -0.721 118 HD21 LEU 14 HD21 LEU 14 3.957 0.041 0.402 119 HD22 LEU 14 HD22 LEU 14 4.831 0.024 1.931 120 HD23 LEU 14 HD23 LEU 14 5.649 0.530 0.453 121 H VAL 15 HN VAL 15 5.634 5.204 4.016 122 HA VAL 15 HA VAL 15 8.242 4.708 5.075 123 HB VAL 15 HB VAL 15 6.609 7.250 5.171 124 HG11 VAL 15 HG11 VAL 15 9.571 6.809 5.516 125 HG12 VAL 15 HG12 VAL 15 8.433 7.277 6.779 126 HG13 VAL 15 HG13 VAL 15 8.770 8.377 5.442 127 HG21 VAL 15 HG21 VAL 15 8.669 6.345 3.160 128 HG22 VAL 15 HG22 VAL 15 7.873 7.918 3.183 129 HG23 VAL 15 HG23 VAL 15 6.932 6.458 2.882 130 H GLU 16 HN GLU 16 5.094 5.480 6.470 131 HA GLU 16 HA GLU 16 5.863 5.764 9.152 132 HB2 GLU 16 HB2 GLU 16 3.290 4.739 7.936 133 HB3 GLU 16 HB1 GLU 16 3.492 5.062 9.652 134 HG2 GLU 16 HG2 GLU 16 3.744 7.373 9.296 135 HG3 GLU 16 HG1 GLU 16 3.963 7.164 7.560 136 H SER 17 HN SER 17 5.288 2.930 7.185 137 HA SER 17 HA SER 17 5.446 1.094 9.411 138 HB2 SER 17 HB2 SER 17 5.557 0.495 6.449 139 HB3 SER 17 HB1 SER 17 5.144 -0.627 7.748 140 HG SER 17 HG SER 17 3.657 1.561 6.751 141 H ALA 18 HN ALA 18 7.428 1.757 6.525 142 HA ALA 18 HA ALA 18 9.772 0.802 8.025 143 HB1 ALA 18 HB1 ALA 18 9.259 0.422 5.075 144 HB2 ALA 18 HB2 ALA 18 9.112 -0.831 6.309 145 HB3 ALA 18 HB3 ALA 18 10.685 -0.111 5.967 146 H GLY 19 HN GLY 19 10.398 2.855 8.632 147 HA2 GLY 19 HA2 GLY 19 11.075 4.688 6.418 148 HA3 GLY 19 HA1 GLY 19 10.650 5.213 8.041 149 H GLU 20 HN GLU 20 13.116 3.667 6.079 150 HA GLU 20 HA GLU 20 15.044 4.252 8.220 151 HB2 GLU 20 HB2 GLU 20 16.508 2.533 7.121 152 HB3 GLU 20 HB1 GLU 20 15.044 1.904 7.853 153 HG2 GLU 20 HG2 GLU 20 14.976 0.757 5.915 154 HG3 GLU 20 HG1 GLU 20 14.123 2.207 5.392 155 H THR 21 HN THR 21 17.329 4.614 7.239 156 HA THR 21 HA THR 21 16.975 6.731 5.219 157 HB THR 21 HB THR 21 19.190 6.621 7.238 158 HG1 THR 21 HG1 THR 21 16.510 7.212 7.616 159 HG21 THR 21 HG21 THR 21 17.891 8.889 5.719 160 HG22 THR 21 HG22 THR 21 19.476 8.187 5.387 161 HG23 THR 21 HG23 THR 21 19.201 9.068 6.890 162 H ASP 22 HN ASP 22 17.345 4.398 4.077 163 HA ASP 22 HA ASP 22 20.119 4.579 3.139 164 HB2 ASP 22 HB2 ASP 22 19.959 2.637 4.652 165 HB3 ASP 22 HB1 ASP 22 18.640 1.999 3.677 166 H GLY 23 HN GLY 23 17.082 2.818 2.408 167 HA2 GLY 23 HA2 GLY 23 17.467 3.639 -0.412 168 HA3 GLY 23 HA1 GLY 23 17.097 1.975 0.007 169 H THR 24 HN THR 24 15.497 4.101 2.058 170 HA THR 24 HA THR 24 12.969 3.451 0.853 171 HB THR 24 HB THR 24 13.486 5.325 3.168 172 HG1 THR 24 HG1 THR 24 14.365 3.246 3.595 173 HG21 THR 24 HG21 THR 24 11.035 3.723 2.415 174 HG22 THR 24 HG22 THR 24 11.221 5.467 2.225 175 HG23 THR 24 HG23 THR 24 11.205 4.751 3.836 176 H ASP 25 HN ASP 25 13.309 4.552 -1.222 177 HA ASP 25 HA ASP 25 12.669 7.420 -0.989 178 HB2 ASP 25 HB2 ASP 25 14.857 7.131 -2.037 179 HB3 ASP 25 HB1 ASP 25 14.159 6.049 -3.238 180 H LEU 26 HN LEU 26 10.583 7.660 -1.316 181 HA LEU 26 HA LEU 26 9.382 6.330 -3.654 182 HB2 LEU 26 HB2 LEU 26 8.024 7.204 -1.098 183 HB3 LEU 26 HB1 LEU 26 7.206 6.532 -2.494 184 HG LEU 26 HG LEU 26 9.206 5.067 -0.761 185 HD11 LEU 26 HD11 LEU 26 7.256 3.766 -0.046 186 HD12 LEU 26 HD12 LEU 26 6.209 4.832 -0.983 187 HD13 LEU 26 HD13 LEU 26 7.111 5.468 0.394 188 HD21 LEU 26 HD21 LEU 26 8.533 3.092 -2.033 189 HD22 LEU 26 HD22 LEU 26 9.259 4.305 -3.086 190 HD23 LEU 26 HD23 LEU 26 7.508 4.092 -3.060 191 H SER 27 HN SER 27 10.852 8.668 -3.815 192 HA SER 27 HA SER 27 9.582 11.067 -3.297 193 HB2 SER 27 HB2 SER 27 11.112 11.925 -5.187 194 HB3 SER 27 HB1 SER 27 11.875 11.158 -3.793 195 HG SER 27 HG SER 27 12.352 9.403 -4.981 196 H GLY 28 HN GLY 28 9.856 9.657 -6.571 197 HA2 GLY 28 HA2 GLY 28 7.652 11.369 -7.411 198 HA3 GLY 28 HA1 GLY 28 8.697 10.426 -8.465 199 H ASP 29 HN ASP 29 7.935 8.582 -9.265 200 HA ASP 29 HA ASP 29 5.379 7.602 -8.201 201 HB2 ASP 29 HB2 ASP 29 5.220 8.279 -10.523 202 HB3 ASP 29 HB1 ASP 29 6.598 7.268 -10.949 203 H PHE 30 HN PHE 30 5.030 5.422 -7.930 204 HA PHE 30 HA PHE 30 7.272 3.581 -8.129 205 HB2 PHE 30 HB2 PHE 30 6.914 2.830 -5.757 206 HB3 PHE 30 HB1 PHE 30 7.593 4.449 -5.903 207 HD1 PHE 30 HD2 PHE 30 6.248 6.415 -5.355 208 HD2 PHE 30 HD1 PHE 30 4.708 2.477 -4.866 209 HE1 PHE 30 HE2 PHE 30 4.436 7.298 -3.942 210 HE2 PHE 30 HE1 PHE 30 2.899 3.358 -3.456 211 HZ PHE 30 HZ PHE 30 2.757 5.773 -3.000 212 H LEU 31 HN LEU 31 4.085 4.283 -8.596 213 HA LEU 31 HA LEU 31 2.693 2.047 -7.622 214 HB2 LEU 31 HB2 LEU 31 2.054 3.738 -10.032 215 HB3 LEU 31 HB1 LEU 31 0.946 2.623 -9.255 216 HG LEU 31 HG LEU 31 2.029 5.217 -8.161 217 HD11 LEU 31 HD11 LEU 31 -0.760 4.219 -8.705 218 HD12 LEU 31 HD12 LEU 31 0.128 5.410 -9.658 219 HD13 LEU 31 HD13 LEU 31 -0.343 5.780 -8.000 220 HD21 LEU 31 HD21 LEU 31 2.093 3.630 -6.345 221 HD22 LEU 31 HD22 LEU 31 0.461 3.078 -6.724 222 HD23 LEU 31 HD23 LEU 31 0.720 4.717 -6.124 223 H ASP 32 HN ASP 32 4.766 2.351 -10.349 224 HA ASP 32 HA ASP 32 3.631 0.038 -11.712 225 HB2 ASP 32 HB2 ASP 32 4.263 2.005 -13.040 226 HB3 ASP 32 HB1 ASP 32 5.922 1.866 -12.473 227 H LEU 33 HN LEU 33 6.054 0.703 -9.442 228 HA LEU 33 HA LEU 33 7.802 -1.473 -10.267 229 HB2 LEU 33 HB2 LEU 33 7.967 0.555 -8.045 230 HB3 LEU 33 HB1 LEU 33 9.091 -0.783 -8.176 231 HG LEU 33 HG LEU 33 10.171 1.119 -9.092 232 HD11 LEU 33 HD11 LEU 33 9.130 -0.589 -11.342 233 HD12 LEU 33 HD12 LEU 33 10.548 -0.907 -10.344 234 HD13 LEU 33 HD13 LEU 33 10.531 0.479 -11.435 235 HD21 LEU 33 HD21 LEU 33 8.280 2.569 -9.454 236 HD22 LEU 33 HD22 LEU 33 7.709 1.550 -10.775 237 HD23 LEU 33 HD23 LEU 33 9.222 2.444 -10.941 238 H ARG 34 HN ARG 34 7.923 -3.427 -9.310 239 HA ARG 34 HA ARG 34 5.731 -4.286 -7.702 240 HB2 ARG 34 HB2 ARG 34 8.298 -5.756 -8.326 241 HB3 ARG 34 HB1 ARG 34 6.795 -6.474 -7.756 242 HG2 ARG 34 HG2 ARG 34 5.689 -5.815 -9.831 243 HG3 ARG 34 HG1 ARG 34 7.189 -5.077 -10.397 244 HD2 ARG 34 HD2 ARG 34 7.089 -7.194 -11.425 245 HD3 ARG 34 HD1 ARG 34 8.257 -7.352 -10.113 246 HE ARG 34 HE ARG 34 5.845 -8.134 -9.044 247 HH11 ARG 34 HH11 ARG 34 7.905 -9.154 -11.688 248 HH12 ARG 34 HH12 ARG 34 7.331 -10.792 -11.662 249 HH21 ARG 34 HH21 ARG 34 5.093 -10.283 -9.008 250 HH22 ARG 34 HH22 ARG 34 5.744 -11.437 -10.149 251 H PHE 35 HN PHE 35 5.680 -4.893 -5.556 252 HA PHE 35 HA PHE 35 7.137 -3.422 -3.712 253 HB2 PHE 35 HB2 PHE 35 5.746 -6.074 -3.273 254 HB3 PHE 35 HB1 PHE 35 6.258 -4.977 -1.997 255 HD1 PHE 35 HD2 PHE 35 5.355 -2.484 -2.337 256 HD2 PHE 35 HD1 PHE 35 3.541 -6.002 -3.894 257 HE1 PHE 35 HE2 PHE 35 3.205 -1.301 -2.492 258 HE2 PHE 35 HE1 PHE 35 1.385 -4.824 -4.058 259 HZ PHE 35 HZ PHE 35 1.193 -2.510 -3.293 260 H GLU 36 HN GLU 36 7.739 -6.658 -4.953 261 HA GLU 36 HA GLU 36 9.705 -7.537 -3.198 262 HB2 GLU 36 HB2 GLU 36 9.673 -8.095 -6.167 263 HB3 GLU 36 HB1 GLU 36 10.314 -9.123 -4.895 264 HG2 GLU 36 HG2 GLU 36 7.403 -8.420 -5.171 265 HG3 GLU 36 HG1 GLU 36 8.138 -9.858 -5.872 266 H ASP 37 HN ASP 37 9.932 -5.294 -5.876 267 HA ASP 37 HA ASP 37 12.828 -5.454 -5.980 268 HB2 ASP 37 HB2 ASP 37 10.725 -4.107 -7.610 269 HB3 ASP 37 HB1 ASP 37 12.366 -3.467 -7.662 270 H ILE 38 HN ILE 38 10.375 -3.263 -4.754 271 HA ILE 38 HA ILE 38 12.307 -1.120 -4.434 272 HB ILE 38 HB ILE 38 10.331 0.125 -3.451 273 HG12 ILE 38 HG12 ILE 38 8.821 -2.252 -4.569 274 HG13 ILE 38 HG11 ILE 38 9.000 -1.881 -2.858 275 HG21 ILE 38 HG21 ILE 38 10.129 -0.918 -6.267 276 HG22 ILE 38 HG22 ILE 38 11.132 0.430 -5.732 277 HG23 ILE 38 HG23 ILE 38 9.373 0.554 -5.657 278 HD11 ILE 38 HD11 ILE 38 7.593 -0.179 -4.904 279 HD12 ILE 38 HD12 ILE 38 7.786 0.213 -3.195 280 HD13 ILE 38 HD13 ILE 38 6.829 -1.187 -3.674 281 H GLY 39 HN GLY 39 12.365 -3.665 -2.809 282 HA2 GLY 39 HA2 GLY 39 13.388 -4.109 -0.815 283 HA3 GLY 39 HA1 GLY 39 13.561 -2.379 -0.586 284 H TYR 40 HN TYR 40 10.462 -4.051 -0.947 285 HA TYR 40 HA TYR 40 9.980 -3.495 1.899 286 HB2 TYR 40 HB2 TYR 40 8.089 -3.506 -0.435 287 HB3 TYR 40 HB1 TYR 40 7.507 -3.675 1.220 288 HD1 TYR 40 HD2 TYR 40 8.126 -1.864 2.892 289 HD2 TYR 40 HD1 TYR 40 8.571 -1.371 -1.307 290 HE1 TYR 40 HE2 TYR 40 8.217 0.570 3.202 291 HE2 TYR 40 HE1 TYR 40 8.670 1.067 -1.017 292 HH TYR 40 HH TYR 40 9.089 2.542 2.025 293 H ASP 41 HN ASP 41 10.203 -5.176 3.096 294 HA ASP 41 HA ASP 41 10.069 -7.845 2.050 295 HB2 ASP 41 HB2 ASP 41 11.567 -6.753 3.985 296 HB3 ASP 41 HB1 ASP 41 10.245 -7.353 4.983 297 H SER 42 HN SER 42 8.849 -9.539 3.464 298 HA SER 42 HA SER 42 6.154 -9.218 2.938 299 HB2 SER 42 HB2 SER 42 6.197 -11.117 4.957 300 HB3 SER 42 HB1 SER 42 6.411 -11.425 3.233 301 H LEU 43 HN LEU 43 7.717 -9.017 6.147 302 HA LEU 43 HA LEU 43 5.361 -8.427 7.559 303 HB2 LEU 43 HB2 LEU 43 7.505 -9.177 8.572 304 HB3 LEU 43 HB1 LEU 43 8.175 -7.590 8.248 305 HG LEU 43 HG LEU 43 6.450 -6.599 9.742 306 HD11 LEU 43 HD11 LEU 43 5.241 -8.128 11.258 307 HD12 LEU 43 HD12 LEU 43 5.813 -9.493 10.300 308 HD13 LEU 43 HD13 LEU 43 4.739 -8.295 9.576 309 HD21 LEU 43 HD21 LEU 43 8.696 -7.101 10.563 310 HD22 LEU 43 HD22 LEU 43 8.178 -8.732 10.988 311 HD23 LEU 43 HD23 LEU 43 7.484 -7.342 11.822 312 H ALA 44 HN ALA 44 7.819 -6.289 6.156 313 HA ALA 44 HA ALA 44 6.757 -3.865 7.095 314 HB1 ALA 44 HB1 ALA 44 8.348 -4.345 4.574 315 HB2 ALA 44 HB2 ALA 44 9.025 -4.086 6.182 316 HB3 ALA 44 HB3 ALA 44 8.124 -2.795 5.387 317 H LEU 45 HN LEU 45 6.049 -5.780 4.228 318 HA LEU 45 HA LEU 45 4.450 -3.849 2.922 319 HB2 LEU 45 HB2 LEU 45 5.444 -5.751 1.763 320 HB3 LEU 45 HB1 LEU 45 4.459 -6.858 2.694 321 HG LEU 45 HG LEU 45 2.440 -6.023 1.613 322 HD11 LEU 45 HD11 LEU 45 3.112 -3.705 1.263 323 HD12 LEU 45 HD12 LEU 45 2.586 -4.437 -0.255 324 HD13 LEU 45 HD13 LEU 45 4.307 -4.216 0.070 325 HD21 LEU 45 HD21 LEU 45 4.621 -6.719 -0.349 326 HD22 LEU 45 HD22 LEU 45 2.886 -6.837 -0.649 327 HD23 LEU 45 HD23 LEU 45 3.642 -7.861 0.572 328 H MET 46 HN MET 46 3.637 -6.542 5.108 329 HA MET 46 HA MET 46 0.823 -6.007 4.938 330 HB2 MET 46 HB2 MET 46 0.539 -7.745 6.585 331 HB3 MET 46 HB1 MET 46 1.697 -8.276 5.380 332 HG2 MET 46 HG2 MET 46 2.719 -8.982 7.283 333 HG3 MET 46 HG1 MET 46 3.445 -7.388 7.112 334 HE1 MET 46 HE1 MET 46 -0.251 -8.133 8.265 335 HE2 MET 46 HE2 MET 46 -0.030 -8.302 10.009 336 HE3 MET 46 HE3 MET 46 0.671 -9.490 8.912 337 H GLU 47 HN GLU 47 3.427 -5.002 7.050 338 HA GLU 47 HA GLU 47 1.900 -3.808 9.085 339 HB2 GLU 47 HB2 GLU 47 4.625 -3.289 7.947 340 HB3 GLU 47 HB1 GLU 47 3.955 -2.191 9.148 341 HG2 GLU 47 HG2 GLU 47 4.230 -5.157 9.576 342 HG3 GLU 47 HG1 GLU 47 5.467 -3.984 10.031 343 H THR 48 HN THR 48 2.982 -2.615 5.950 344 HA THR 48 HA THR 48 1.989 -0.005 6.128 345 HB THR 48 HB THR 48 2.178 -1.707 3.635 346 HG1 THR 48 HG1 THR 48 4.197 -1.598 4.726 347 HG21 THR 48 HG21 THR 48 2.460 0.457 2.503 348 HG22 THR 48 HG22 THR 48 2.202 1.281 4.041 349 HG23 THR 48 HG23 THR 48 0.899 0.340 3.316 350 H ALA 49 HN ALA 49 0.483 -3.016 5.036 351 HA ALA 49 HA ALA 49 -1.980 -2.031 4.195 352 HB1 ALA 49 HB1 ALA 49 -2.839 -4.278 4.611 353 HB2 ALA 49 HB2 ALA 49 -1.401 -4.659 5.555 354 HB3 ALA 49 HB3 ALA 49 -1.259 -4.333 3.829 355 H ALA 50 HN ALA 50 -0.876 -2.911 7.446 356 HA ALA 50 HA ALA 50 -3.353 -2.607 8.761 357 HB1 ALA 50 HB1 ALA 50 -1.476 -3.800 9.774 358 HB2 ALA 50 HB2 ALA 50 -2.049 -2.503 10.823 359 HB3 ALA 50 HB3 ALA 50 -0.570 -2.288 9.885 360 H ARG 51 HN ARG 51 -0.729 -0.387 8.031 361 HA ARG 51 HA ARG 51 -1.660 1.846 9.459 362 HB2 ARG 51 HB2 ARG 51 -0.107 1.776 6.864 363 HB3 ARG 51 HB1 ARG 51 -0.272 3.168 7.918 364 HG2 ARG 51 HG2 ARG 51 1.087 0.573 8.613 365 HG3 ARG 51 HG1 ARG 51 1.888 2.085 8.187 366 HD2 ARG 51 HD2 ARG 51 0.061 1.713 10.556 367 HD3 ARG 51 HD1 ARG 51 1.820 1.656 10.629 368 HE ARG 51 HE ARG 51 1.055 4.087 9.446 369 HH11 ARG 51 HH11 ARG 51 0.920 2.484 12.569 370 HH12 ARG 51 HH12 ARG 51 0.925 3.976 13.464 371 HH21 ARG 51 HH21 ARG 51 1.088 6.031 10.613 372 HH22 ARG 51 HH22 ARG 51 1.033 5.985 12.356 373 H LEU 52 HN LEU 52 -2.454 0.593 6.277 374 HA LEU 52 HA LEU 52 -3.999 2.841 5.443 375 HB2 LEU 52 HB2 LEU 52 -4.059 -0.015 4.460 376 HB3 LEU 52 HB1 LEU 52 -4.790 1.354 3.651 377 HG LEU 52 HG LEU 52 -1.825 1.040 4.132 378 HD11 LEU 52 HD11 LEU 52 -2.597 -0.617 2.549 379 HD12 LEU 52 HD12 LEU 52 -1.709 0.654 1.704 380 HD13 LEU 52 HD13 LEU 52 -3.473 0.617 1.643 381 HD21 LEU 52 HD21 LEU 52 -1.668 2.918 2.535 382 HD22 LEU 52 HD22 LEU 52 -2.488 3.358 4.032 383 HD23 LEU 52 HD23 LEU 52 -3.425 3.060 2.567 384 H GLU 53 HN GLU 53 -4.879 -0.411 6.637 385 HA GLU 53 HA GLU 53 -7.648 -0.038 6.634 386 HB2 GLU 53 HB2 GLU 53 -6.038 -1.725 8.559 387 HB3 GLU 53 HB1 GLU 53 -7.755 -1.888 8.229 388 HG2 GLU 53 HG2 GLU 53 -7.179 -2.419 5.865 389 HG3 GLU 53 HG1 GLU 53 -5.483 -2.421 6.338 390 H SER 54 HN SER 54 -5.245 0.647 9.134 391 HA SER 54 HA SER 54 -7.068 1.407 11.147 392 HB2 SER 54 HB2 SER 54 -4.725 0.787 11.594 393 HB3 SER 54 HB1 SER 54 -4.185 2.261 10.791 394 HG SER 54 HG SER 54 -5.819 3.190 12.489 395 H ARG 55 HN ARG 55 -6.010 3.076 8.338 396 HA ARG 55 HA ARG 55 -6.591 5.705 9.449 397 HB2 ARG 55 HB2 ARG 55 -4.622 5.411 8.002 398 HB3 ARG 55 HB1 ARG 55 -5.669 4.915 6.683 399 HG2 ARG 55 HG2 ARG 55 -6.651 7.108 6.561 400 HG3 ARG 55 HG1 ARG 55 -5.784 7.621 8.008 401 HD2 ARG 55 HD2 ARG 55 -4.570 6.875 5.343 402 HD3 ARG 55 HD1 ARG 55 -4.663 8.492 6.049 403 HE ARG 55 HE ARG 55 -3.333 6.722 7.803 404 HH11 ARG 55 HH11 ARG 55 -2.821 8.562 4.856 405 HH12 ARG 55 HH12 ARG 55 -1.097 8.602 5.054 406 HH21 ARG 55 HH21 ARG 55 -1.074 6.804 8.054 407 HH22 ARG 55 HH22 ARG 55 -0.095 7.615 6.874 408 H TYR 56 HN TYR 56 -7.800 3.564 6.878 409 HA TYR 56 HA TYR 56 -9.939 5.475 6.333 410 HB2 TYR 56 HB2 TYR 56 -9.195 2.938 4.865 411 HB3 TYR 56 HB1 TYR 56 -10.359 4.145 4.326 412 HD1 TYR 56 HD2 TYR 56 -9.526 6.476 3.818 413 HD2 TYR 56 HD1 TYR 56 -6.897 3.181 4.384 414 HE1 TYR 56 HE2 TYR 56 -7.731 7.720 2.691 415 HE2 TYR 56 HE1 TYR 56 -5.096 4.419 3.260 416 HH TYR 56 HH TYR 56 -5.339 7.763 2.540 417 H GLY 57 HN GLY 57 -9.425 2.516 7.979 418 HA2 GLY 57 HA2 GLY 57 -10.930 1.349 9.316 419 HA3 GLY 57 HA1 GLY 57 -12.226 2.358 8.690 420 H VAL 58 HN VAL 58 -9.953 0.545 6.725 421 HA VAL 58 HA VAL 58 -12.235 -0.872 5.545 422 HB VAL 58 HB VAL 58 -10.767 -1.278 3.600 423 HG11 VAL 58 HG11 VAL 58 -12.184 0.659 3.536 424 HG12 VAL 58 HG12 VAL 58 -10.622 1.079 2.830 425 HG13 VAL 58 HG13 VAL 58 -11.017 1.595 4.470 426 HG21 VAL 58 HG21 VAL 58 -8.615 -1.299 4.742 427 HG22 VAL 58 HG22 VAL 58 -8.776 0.421 5.099 428 HG23 VAL 58 HG23 VAL 58 -8.613 -0.121 3.428 429 H SER 59 HN SER 59 -11.208 -2.972 4.359 430 HA SER 59 HA SER 59 -9.443 -4.443 6.132 431 HB2 SER 59 HB2 SER 59 -11.113 -6.397 6.061 432 HB3 SER 59 HB1 SER 59 -11.490 -5.061 7.147 433 HG SER 59 HG SER 59 -12.608 -5.600 4.590 434 H ILE 60 HN ILE 60 -8.034 -5.550 4.930 435 HA ILE 60 HA ILE 60 -8.575 -5.776 2.064 436 HB ILE 60 HB ILE 60 -5.995 -6.288 3.549 437 HG12 ILE 60 HG12 ILE 60 -6.925 -3.835 2.035 438 HG13 ILE 60 HG11 ILE 60 -6.746 -3.957 3.780 439 HG21 ILE 60 HG21 ILE 60 -6.111 -7.426 1.392 440 HG22 ILE 60 HG22 ILE 60 -4.950 -6.099 1.344 441 HG23 ILE 60 HG23 ILE 60 -6.540 -5.905 0.605 442 HD11 ILE 60 HD11 ILE 60 -4.516 -4.176 1.775 443 HD12 ILE 60 HD12 ILE 60 -4.346 -4.261 3.529 444 HD13 ILE 60 HD13 ILE 60 -4.889 -2.767 2.766 445 HA PRO 61 HA PRO 61 -9.820 -10.032 2.597 446 HB2 PRO 61 HB2 PRO 61 -9.259 -10.108 -0.316 447 HB3 PRO 61 HB1 PRO 61 -10.724 -10.556 0.561 448 HG2 PRO 61 HG2 PRO 61 -10.638 -8.302 -0.841 449 HG3 PRO 61 HG1 PRO 61 -11.454 -8.357 0.733 450 HD2 PRO 61 HD2 PRO 61 -8.756 -7.253 0.032 451 HD3 PRO 61 HD1 PRO 61 -9.992 -6.601 1.130 452 H ASP 62 HN ASP 62 -8.797 -11.912 2.919 453 HA ASP 62 HA ASP 62 -6.028 -12.098 3.076 454 HB2 ASP 62 HB2 ASP 62 -7.952 -14.413 2.769 455 HB3 ASP 62 HB1 ASP 62 -6.355 -14.467 3.506 456 H ASP 63 HN ASP 63 -8.214 -13.093 0.525 457 HA ASP 63 HA ASP 63 -6.239 -14.692 -0.805 458 HB2 ASP 63 HB2 ASP 63 -8.022 -15.088 -2.463 459 HB3 ASP 63 HB1 ASP 63 -8.567 -15.383 -0.818 460 H VAL 64 HN VAL 64 -7.871 -11.608 -1.488 461 HA VAL 64 HA VAL 64 -6.607 -11.306 -4.032 462 HB VAL 64 HB VAL 64 -7.951 -9.163 -2.382 463 HG11 VAL 64 HG11 VAL 64 -6.615 -8.315 -4.246 464 HG12 VAL 64 HG12 VAL 64 -8.339 -8.068 -4.521 465 HG13 VAL 64 HG13 VAL 64 -7.492 -9.371 -5.353 466 HG21 VAL 64 HG21 VAL 64 -9.452 -11.058 -2.670 467 HG22 VAL 64 HG22 VAL 64 -9.156 -11.045 -4.409 468 HG23 VAL 64 HG23 VAL 64 -9.980 -9.687 -3.645 469 H ALA 65 HN ALA 65 -5.794 -10.427 -0.783 470 HA ALA 65 HA ALA 65 -4.134 -8.227 -1.217 471 HB1 ALA 65 HB1 ALA 65 -4.933 -8.876 0.993 472 HB2 ALA 65 HB2 ALA 65 -3.179 -8.704 0.971 473 HB3 ALA 65 HB3 ALA 65 -3.907 -10.309 0.946 474 H GLY 66 HN GLY 66 -3.362 -11.658 -1.279 475 HA2 GLY 66 HA2 GLY 66 -0.534 -11.056 -1.671 476 HA3 GLY 66 HA1 GLY 66 -1.222 -12.641 -1.378 477 H ARG 67 HN ARG 67 -2.948 -10.955 -3.728 478 HA ARG 67 HA ARG 67 -1.614 -12.527 -5.822 479 HB2 ARG 67 HB2 ARG 67 -4.449 -11.545 -5.547 480 HB3 ARG 67 HB1 ARG 67 -3.809 -12.143 -7.069 481 HG2 ARG 67 HG2 ARG 67 -3.380 -14.305 -6.102 482 HG3 ARG 67 HG1 ARG 67 -3.861 -13.724 -4.509 483 HD2 ARG 67 HD2 ARG 67 -5.621 -15.047 -5.631 484 HD3 ARG 67 HD1 ARG 67 -6.127 -13.399 -5.255 485 HE ARG 67 HE ARG 67 -5.077 -13.558 -7.890 486 HH11 ARG 67 HH11 ARG 67 -7.894 -14.500 -6.024 487 HH12 ARG 67 HH12 ARG 67 -8.995 -14.306 -7.362 488 HH21 ARG 67 HH21 ARG 67 -6.495 -13.334 -9.635 489 HH22 ARG 67 HH22 ARG 67 -8.195 -13.642 -9.425 490 H VAL 68 HN VAL 68 -1.564 -9.481 -4.696 491 HA VAL 68 HA VAL 68 -1.616 -8.166 -7.304 492 HB VAL 68 HB VAL 68 -1.375 -6.062 -6.108 493 HG11 VAL 68 HG11 VAL 68 -3.476 -6.079 -4.846 494 HG12 VAL 68 HG12 VAL 68 -3.465 -7.844 -4.874 495 HG13 VAL 68 HG13 VAL 68 -3.616 -6.939 -6.381 496 HG21 VAL 68 HG21 VAL 68 -1.253 -7.724 -3.591 497 HG22 VAL 68 HG22 VAL 68 -1.309 -5.962 -3.669 498 HG23 VAL 68 HG23 VAL 68 0.090 -6.830 -4.303 499 H ASP 69 HN ASP 69 0.215 -6.422 -7.543 500 HA ASP 69 HA ASP 69 2.783 -7.419 -6.552 501 HB2 ASP 69 HB2 ASP 69 1.927 -7.363 -9.400 502 HB3 ASP 69 HB1 ASP 69 3.578 -6.863 -9.047 503 H THR 70 HN THR 70 1.036 -4.902 -8.284 504 HA THR 70 HA THR 70 3.226 -3.033 -7.680 505 HB THR 70 HB THR 70 2.172 -1.566 -9.392 506 HG1 THR 70 HG1 THR 70 0.413 -3.797 -9.621 507 HG21 THR 70 HG21 THR 70 2.854 -2.894 -11.337 508 HG22 THR 70 HG22 THR 70 2.839 -4.352 -10.347 509 HG23 THR 70 HG23 THR 70 4.005 -3.071 -10.012 510 HA PRO 71 HA PRO 71 0.940 -0.840 -4.573 511 HB2 PRO 71 HB2 PRO 71 2.049 1.540 -5.973 512 HB3 PRO 71 HB1 PRO 71 2.091 1.129 -4.255 513 HG2 PRO 71 HG2 PRO 71 4.258 0.832 -5.765 514 HG3 PRO 71 HG1 PRO 71 3.845 -0.368 -4.526 515 HD2 PRO 71 HD2 PRO 71 3.550 -0.524 -7.489 516 HD3 PRO 71 HD1 PRO 71 3.956 -1.800 -6.324 517 H ARG 72 HN ARG 72 0.747 0.116 -7.959 518 HA ARG 72 HA ARG 72 -1.427 1.863 -7.837 519 HB2 ARG 72 HB2 ARG 72 0.096 1.188 -9.843 520 HB3 ARG 72 HB1 ARG 72 -1.092 -0.076 -10.115 521 HG2 ARG 72 HG2 ARG 72 -1.823 2.838 -9.941 522 HG3 ARG 72 HG1 ARG 72 -1.391 2.040 -11.454 523 HD2 ARG 72 HD2 ARG 72 -3.279 0.661 -11.401 524 HD3 ARG 72 HD1 ARG 72 -3.539 0.933 -9.677 525 HE ARG 72 HE ARG 72 -3.830 3.397 -10.886 526 HH11 ARG 72 HH11 ARG 72 -5.372 0.273 -11.274 527 HH12 ARG 72 HH12 ARG 72 -6.947 0.948 -11.525 528 HH21 ARG 72 HH21 ARG 72 -5.897 4.276 -11.244 529 HH22 ARG 72 HH22 ARG 72 -7.249 3.212 -11.534 530 H GLU 73 HN GLU 73 -1.358 -1.667 -8.169 531 HA GLU 73 HA GLU 73 -4.143 -2.043 -8.430 532 HB2 GLU 73 HB2 GLU 73 -2.075 -3.952 -7.324 533 HB3 GLU 73 HB1 GLU 73 -3.668 -4.389 -7.921 534 HG2 GLU 73 HG2 GLU 73 -3.085 -3.840 -10.147 535 HG3 GLU 73 HG1 GLU 73 -1.586 -3.068 -9.631 536 H LEU 74 HN LEU 74 -1.992 -2.052 -5.628 537 HA LEU 74 HA LEU 74 -3.866 -2.853 -3.689 538 HB2 LEU 74 HB2 LEU 74 -1.234 -2.448 -3.626 539 HB3 LEU 74 HB1 LEU 74 -1.717 -0.882 -3.012 540 HG LEU 74 HG LEU 74 -1.143 -2.465 -1.213 541 HD11 LEU 74 HD11 LEU 74 -2.733 -0.689 -0.752 542 HD12 LEU 74 HD12 LEU 74 -3.122 -2.144 0.165 543 HD13 LEU 74 HD13 LEU 74 -4.061 -1.726 -1.270 544 HD21 LEU 74 HD21 LEU 74 -1.794 -4.534 -2.280 545 HD22 LEU 74 HD22 LEU 74 -3.489 -4.041 -2.260 546 HD23 LEU 74 HD23 LEU 74 -2.641 -4.352 -0.744 547 H LEU 75 HN LEU 75 -2.833 0.361 -4.752 548 HA LEU 75 HA LEU 75 -4.502 1.911 -3.139 549 HB2 LEU 75 HB2 LEU 75 -2.586 2.747 -4.446 550 HB3 LEU 75 HB1 LEU 75 -3.477 2.469 -5.928 551 HG LEU 75 HG LEU 75 -4.611 4.331 -3.876 552 HD11 LEU 75 HD11 LEU 75 -2.466 5.032 -5.884 553 HD12 LEU 75 HD12 LEU 75 -2.273 5.021 -4.131 554 HD13 LEU 75 HD13 LEU 75 -3.362 6.182 -4.893 555 HD21 LEU 75 HD21 LEU 75 -4.649 4.268 -6.896 556 HD22 LEU 75 HD22 LEU 75 -5.485 5.441 -5.881 557 HD23 LEU 75 HD23 LEU 75 -5.957 3.743 -5.834 558 H ASP 76 HN ASP 76 -5.017 0.632 -6.404 559 HA ASP 76 HA ASP 76 -7.552 1.793 -6.829 560 HB2 ASP 76 HB2 ASP 76 -6.171 1.000 -8.676 561 HB3 ASP 76 HB1 ASP 76 -6.289 -0.653 -8.088 562 H LEU 77 HN LEU 77 -6.574 -1.314 -5.474 563 HA LEU 77 HA LEU 77 -9.078 -2.570 -5.456 564 HB2 LEU 77 HB2 LEU 77 -6.979 -3.757 -5.054 565 HB3 LEU 77 HB1 LEU 77 -6.752 -2.883 -3.552 566 HG LEU 77 HG LEU 77 -8.810 -3.971 -2.663 567 HD11 LEU 77 HD11 LEU 77 -9.675 -5.948 -3.832 568 HD12 LEU 77 HD12 LEU 77 -8.638 -5.577 -5.208 569 HD13 LEU 77 HD13 LEU 77 -9.932 -4.468 -4.753 570 HD21 LEU 77 HD21 LEU 77 -6.634 -5.833 -3.603 571 HD22 LEU 77 HD22 LEU 77 -7.775 -6.147 -2.295 572 HD23 LEU 77 HD23 LEU 77 -6.598 -4.842 -2.144 573 H ILE 78 HN ILE 78 -7.465 -0.721 -2.868 574 HA ILE 78 HA ILE 78 -9.636 -0.982 -1.051 575 HB ILE 78 HB ILE 78 -7.394 1.052 -1.050 576 HG12 ILE 78 HG12 ILE 78 -7.685 -1.633 0.319 577 HG13 ILE 78 HG11 ILE 78 -6.568 -1.243 -0.984 578 HG21 ILE 78 HG21 ILE 78 -7.892 1.344 1.314 579 HG22 ILE 78 HG22 ILE 78 -9.226 0.197 1.195 580 HG23 ILE 78 HG23 ILE 78 -9.309 1.736 0.338 581 HD11 ILE 78 HD11 ILE 78 -5.426 -1.315 1.143 582 HD12 ILE 78 HD12 ILE 78 -6.521 -0.097 1.794 583 HD13 ILE 78 HD13 ILE 78 -5.409 0.323 0.490 584 H ASN 79 HN ASN 79 -8.725 1.431 -3.442 585 HA ASN 79 HA ASN 79 -10.631 3.394 -2.724 586 HB2 ASN 79 HB2 ASN 79 -8.949 2.861 -5.116 587 HB3 ASN 79 HB1 ASN 79 -10.372 3.859 -5.365 588 HD21 ASN 79 HD21 ASN 79 -7.299 3.609 -3.781 589 HD22 ASN 79 HD22 ASN 79 -7.162 5.287 -3.374 590 H GLY 80 HN GLY 80 -10.768 0.619 -4.904 591 HA2 GLY 80 HA2 GLY 80 -13.250 1.183 -6.100 592 HA3 GLY 80 HA1 GLY 80 -12.525 -0.411 -5.952 593 H ALA 81 HN ALA 81 -12.461 -0.541 -3.123 594 HA ALA 81 HA ALA 81 -15.105 -1.482 -2.663 595 HB1 ALA 81 HB1 ALA 81 -13.141 -2.575 -1.699 596 HB2 ALA 81 HB2 ALA 81 -14.293 -2.100 -0.449 597 HB3 ALA 81 HB3 ALA 81 -12.833 -1.147 -0.710 598 H LEU 82 HN LEU 82 -13.440 1.478 -1.962 599 HA LEU 82 HA LEU 82 -15.444 2.384 -0.074 600 HB2 LEU 82 HB2 LEU 82 -13.053 3.757 -1.301 601 HB3 LEU 82 HB1 LEU 82 -14.118 4.508 -0.130 602 HG LEU 82 HG LEU 82 -12.485 2.024 0.389 603 HD11 LEU 82 HD11 LEU 82 -12.022 4.888 1.219 604 HD12 LEU 82 HD12 LEU 82 -11.048 3.963 0.075 605 HD13 LEU 82 HD13 LEU 82 -11.094 3.497 1.776 606 HD21 LEU 82 HD21 LEU 82 -14.521 2.143 1.724 607 HD22 LEU 82 HD22 LEU 82 -14.113 3.786 2.221 608 HD23 LEU 82 HD23 LEU 82 -13.100 2.435 2.729 609 H ALA 83 HN ALA 83 -14.715 2.676 -3.456 610 HA ALA 83 HA ALA 83 -16.122 5.054 -4.014 611 HB1 ALA 83 HB1 ALA 83 -14.472 4.076 -5.539 612 HB2 ALA 83 HB2 ALA 83 -16.014 4.361 -6.347 613 HB3 ALA 83 HB3 ALA 83 -15.566 2.730 -5.850 614 H GLU 84 HN GLU 84 -17.138 1.658 -4.038 615 HA GLU 84 HA GLU 84 -19.816 2.429 -4.892 616 HB2 GLU 84 HB2 GLU 84 -18.628 -0.299 -4.343 617 HB3 GLU 84 HB1 GLU 84 -20.247 -0.007 -4.960 618 HG2 GLU 84 HG2 GLU 84 -17.683 0.739 -6.347 619 HG3 GLU 84 HG1 GLU 84 -18.699 -0.650 -6.729 620 H ALA 85 HN ALA 85 -18.479 2.832 -2.109 621 HA ALA 85 HA ALA 85 -20.158 1.226 -0.388 622 HB1 ALA 85 HB1 ALA 85 -18.254 3.442 0.343 623 HB2 ALA 85 HB2 ALA 85 -17.846 1.728 0.255 624 HB3 ALA 85 HB3 ALA 85 -19.007 2.299 1.455 625 H ALA 86 HN ALA 86 -19.655 4.777 -0.559 626 HA ALA 86 HA ALA 86 -22.533 5.101 -0.087 627 HB1 ALA 86 HB1 ALA 86 -20.393 6.541 1.481 628 HB2 ALA 86 HB2 ALA 86 -21.447 5.266 2.094 629 HB3 ALA 86 HB3 ALA 86 -22.129 6.816 1.599 630 H28 SXO 87 H28B SXO 87 5.896 -11.385 6.190 631 H28A SXO 87 H28A SXO 87 6.628 -11.119 7.773 632 H30 SXO 87 H30A SXO 87 4.494 -11.463 8.816 633 H30A SXO 87 H30C SXO 87 3.735 -11.765 7.252 634 H30B SXO 87 H30B SXO 87 3.567 -12.940 8.558 635 H31 SXO 87 H31A SXO 87 4.464 -14.713 6.992 636 H31A SXO 87 H31B SXO 87 6.031 -14.465 6.220 637 H31B SXO 87 H31C SXO 87 4.644 -13.496 5.729 638 H32 SXO 87 H32A SXO 87 6.240 -12.940 9.655 639 HO33 SXO 87 H33A SXO 87 7.757 -13.587 7.617 640 HN36 SXO 87 H36A SXO 87 3.926 -13.776 9.928 641 H37 SXO 87 H37A SXO 87 3.715 -16.709 9.860 642 H37A SXO 87 H37B SXO 87 3.453 -15.831 11.361 643 H38 SXO 87 H38B SXO 87 1.660 -14.521 10.142 644 H38A SXO 87 H38A SXO 87 1.310 -16.220 10.475 645 HN41 SXO 87 H41A SXO 87 0.071 -14.591 8.575 646 H42 SXO 87 H42A SXO 87 0.832 -15.816 6.005 647 H42A SXO 87 H42B SXO 87 -0.836 -15.757 6.573 648 H43 SXO 87 H43B SXO 87 -0.553 -13.981 5.009 649 H43A SXO 87 H43A SXO 87 -0.624 -13.248 6.618 650 H2 SXO 87 H2A SXO 87 2.395 -11.541 3.782 651 H2A SXO 87 H2B SXO 87 2.337 -10.053 4.726 652 H3 SXO 87 H3B SXO 87 0.228 -10.971 2.777 653 H3A SXO 87 H3A SXO 87 0.205 -9.469 3.704 654 H4 SXO 87 H4A SXO 87 2.245 -10.252 1.622 655 H4A SXO 87 H4B SXO 87 2.278 -8.770 2.578 656 H5 SXO 87 H5B SXO 87 1.344 -8.431 0.315 657 H5A SXO 87 H5A SXO 87 0.046 -9.563 0.710 658 H6 SXO 87 H6A SXO 87 0.635 -6.998 2.192 659 H6A SXO 87 H6B SXO 87 -0.703 -8.107 2.504 660 H7 SXO 87 H7A SXO 87 -1.605 -7.659 0.273 661 H7A SXO 87 H7B SXO 87 -0.257 -6.552 -0.046 662 H8 SXO 87 H8C SXO 87 -2.314 -6.261 2.137 663 H8A SXO 87 H8A SXO 87 -2.270 -5.340 0.634 664 H8B SXO 87 H8B SXO 87 -0.980 -5.153 1.824 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -18.242 13.237 -0.485 2 H2 MET 1 HT2 MET 1 -18.015 11.554 -0.547 3 H3 MET 1 HT3 MET 1 -16.673 12.594 -0.527 4 HA MET 1 HA MET 1 -17.190 13.325 1.678 5 HB2 MET 1 HB2 MET 1 -19.610 13.118 1.567 6 HB3 MET 1 HB1 MET 1 -19.483 11.368 1.446 7 HG2 MET 1 HG2 MET 1 -18.600 11.241 3.690 8 HG3 MET 1 HG1 MET 1 -18.598 13.003 3.814 9 HE1 MET 1 HE1 MET 1 -20.810 14.480 3.830 10 HE2 MET 1 HE2 MET 1 -22.438 13.806 3.713 11 HE3 MET 1 HE3 MET 1 -21.346 13.714 2.333 12 H ALA 2 HN ALA 2 -17.438 10.067 0.329 13 HA ALA 2 HA ALA 2 -16.010 8.796 2.442 14 HB1 ALA 2 HB1 ALA 2 -17.490 7.565 0.899 15 HB2 ALA 2 HB2 ALA 2 -15.863 6.887 0.952 16 HB3 ALA 2 HB3 ALA 2 -16.358 7.885 -0.416 17 H THR 3 HN THR 3 -13.946 8.997 2.884 18 HA THR 3 HA THR 3 -12.145 10.382 1.164 19 HB THR 3 HB THR 3 -10.498 9.489 3.040 20 HG1 THR 3 HG1 THR 3 -11.561 8.900 4.906 21 HG21 THR 3 HG21 THR 3 -11.099 11.425 4.408 22 HG22 THR 3 HG22 THR 3 -12.661 11.529 3.597 23 HG23 THR 3 HG23 THR 3 -11.177 11.835 2.693 24 H LEU 4 HN LEU 4 -11.510 9.364 -0.644 25 HA LEU 4 HA LEU 4 -10.962 6.549 -0.750 26 HB2 LEU 4 HB2 LEU 4 -10.210 8.715 -2.724 27 HB3 LEU 4 HB1 LEU 4 -10.224 6.991 -3.036 28 HG LEU 4 HG LEU 4 -12.658 8.688 -2.460 29 HD11 LEU 4 HD11 LEU 4 -11.664 7.450 -5.023 30 HD12 LEU 4 HD12 LEU 4 -11.709 9.173 -4.641 31 HD13 LEU 4 HD13 LEU 4 -13.213 8.265 -4.809 32 HD21 LEU 4 HD21 LEU 4 -12.921 6.403 -1.658 33 HD22 LEU 4 HD22 LEU 4 -12.421 5.783 -3.232 34 HD23 LEU 4 HD23 LEU 4 -13.925 6.690 -3.079 35 H LEU 5 HN LEU 5 -8.766 5.753 -1.471 36 HA LEU 5 HA LEU 5 -6.818 6.781 0.391 37 HB2 LEU 5 HB2 LEU 5 -7.292 4.316 -0.176 38 HB3 LEU 5 HB1 LEU 5 -6.386 4.598 -1.647 39 HG LEU 5 HG LEU 5 -5.186 5.087 1.074 40 HD11 LEU 5 HD11 LEU 5 -5.129 2.548 -0.549 41 HD12 LEU 5 HD12 LEU 5 -5.965 2.777 0.987 42 HD13 LEU 5 HD13 LEU 5 -4.204 2.860 0.919 43 HD21 LEU 5 HD21 LEU 5 -4.022 6.083 -0.825 44 HD22 LEU 5 HD22 LEU 5 -3.982 4.516 -1.632 45 HD23 LEU 5 HD23 LEU 5 -3.085 4.758 -0.131 46 H THR 6 HN THR 6 -5.349 8.255 -0.062 47 HA THR 6 HA THR 6 -5.007 9.092 -2.831 48 HB THR 6 HB THR 6 -3.542 10.779 -1.136 49 HG1 THR 6 HG1 THR 6 -4.485 10.474 0.758 50 HG21 THR 6 HG21 THR 6 -6.324 11.062 -2.268 51 HG22 THR 6 HG22 THR 6 -4.816 11.500 -3.071 52 HG23 THR 6 HG23 THR 6 -5.343 12.387 -1.641 53 H THR 7 HN THR 7 -3.021 9.311 -3.817 54 HA THR 7 HA THR 7 -1.038 7.420 -3.329 55 HB THR 7 HB THR 7 0.363 8.954 -4.854 56 HG1 THR 7 HG1 THR 7 -0.460 10.892 -5.128 57 HG21 THR 7 HG21 THR 7 -0.925 8.327 -6.824 58 HG22 THR 7 HG22 THR 7 -2.347 8.035 -5.824 59 HG23 THR 7 HG23 THR 7 -0.924 7.005 -5.655 60 H ASP 8 HN ASP 8 -1.344 10.759 -2.321 61 HA ASP 8 HA ASP 8 1.210 11.183 -1.264 62 HB2 ASP 8 HB2 ASP 8 -1.425 12.320 -0.305 63 HB3 ASP 8 HB1 ASP 8 0.169 12.999 0.013 64 H ASP 9 HN ASP 9 -1.749 9.986 0.303 65 HA ASP 9 HA ASP 9 -0.602 9.568 2.845 66 HB2 ASP 9 HB2 ASP 9 -3.051 8.521 1.475 67 HB3 ASP 9 HB1 ASP 9 -2.549 7.835 3.017 68 H LEU 10 HN LEU 10 -1.086 7.411 0.076 69 HA LEU 10 HA LEU 10 -0.096 5.079 1.252 70 HB2 LEU 10 HB2 LEU 10 -1.312 5.205 -0.903 71 HB3 LEU 10 HB1 LEU 10 0.110 5.918 -1.638 72 HG LEU 10 HG LEU 10 1.370 3.858 -1.247 73 HD11 LEU 10 HD11 LEU 10 0.247 1.853 -0.424 74 HD12 LEU 10 HD12 LEU 10 -1.221 2.785 -0.131 75 HD13 LEU 10 HD13 LEU 10 0.241 3.125 0.799 76 HD21 LEU 10 HD21 LEU 10 -1.289 3.400 -2.598 77 HD22 LEU 10 HD22 LEU 10 0.161 2.425 -2.829 78 HD23 LEU 10 HD23 LEU 10 0.141 4.113 -3.342 79 H ARG 11 HN ARG 11 1.567 7.647 -0.521 80 HA ARG 11 HA ARG 11 4.149 6.640 -0.575 81 HB2 ARG 11 HB2 ARG 11 3.368 8.766 -1.648 82 HB3 ARG 11 HB1 ARG 11 3.391 9.522 -0.062 83 HG2 ARG 11 HG2 ARG 11 5.822 8.969 0.076 84 HG3 ARG 11 HG1 ARG 11 5.735 8.443 -1.605 85 HD2 ARG 11 HD2 ARG 11 5.178 11.207 -0.533 86 HD3 ARG 11 HD1 ARG 11 6.552 10.712 -1.524 87 HE ARG 11 HE ARG 11 4.053 10.191 -2.811 88 HH11 ARG 11 HH11 ARG 11 6.464 12.658 -2.189 89 HH12 ARG 11 HH12 ARG 11 5.943 13.672 -3.502 90 HH21 ARG 11 HH21 ARG 11 3.381 11.525 -4.561 91 HH22 ARG 11 HH22 ARG 11 4.203 13.038 -4.850 92 H ARG 12 HN ARG 12 2.439 8.332 2.019 93 HA ARG 12 HA ARG 12 4.697 8.460 3.763 94 HB2 ARG 12 HB2 ARG 12 1.748 8.791 4.295 95 HB3 ARG 12 HB1 ARG 12 2.988 9.020 5.516 96 HG2 ARG 12 HG2 ARG 12 3.981 10.779 4.026 97 HG3 ARG 12 HG1 ARG 12 2.528 10.635 3.028 98 HD2 ARG 12 HD2 ARG 12 2.280 12.460 4.607 99 HD3 ARG 12 HD1 ARG 12 1.150 11.164 4.993 100 HE ARG 12 HE ARG 12 3.721 11.343 6.421 101 HH11 ARG 12 HH11 ARG 12 0.218 11.430 6.460 102 HH12 ARG 12 HH12 ARG 12 0.098 11.383 8.189 103 HH21 ARG 12 HH21 ARG 12 3.566 11.281 8.713 104 HH22 ARG 12 HH22 ARG 12 2.005 11.292 9.467 105 H ALA 13 HN ALA 13 1.983 6.259 3.368 106 HA ALA 13 HA ALA 13 2.146 4.932 5.818 107 HB1 ALA 13 HB1 ALA 13 1.217 3.842 3.165 108 HB2 ALA 13 HB2 ALA 13 0.236 4.739 4.323 109 HB3 ALA 13 HB3 ALA 13 0.866 3.149 4.748 110 H LEU 14 HN LEU 14 3.821 4.291 2.771 111 HA LEU 14 HA LEU 14 5.060 1.887 3.550 112 HB2 LEU 14 HB2 LEU 14 5.685 3.985 1.503 113 HB3 LEU 14 HB1 LEU 14 6.854 2.723 1.829 114 HG LEU 14 HG LEU 14 5.509 2.179 -0.121 115 HD11 LEU 14 HD11 LEU 14 4.691 -0.039 0.587 116 HD12 LEU 14 HD12 LEU 14 4.950 0.437 2.266 117 HD13 LEU 14 HD13 LEU 14 6.317 0.330 1.157 118 HD21 LEU 14 HD21 LEU 14 3.140 2.243 1.738 119 HD22 LEU 14 HD22 LEU 14 3.131 1.709 0.057 120 HD23 LEU 14 HD23 LEU 14 3.478 3.393 0.444 121 H VAL 15 HN VAL 15 6.161 5.259 3.765 122 HA VAL 15 HA VAL 15 8.681 4.656 4.919 123 HB VAL 15 HB VAL 15 7.131 7.247 5.106 124 HG11 VAL 15 HG11 VAL 15 10.078 6.663 5.385 125 HG12 VAL 15 HG12 VAL 15 8.979 7.136 6.681 126 HG13 VAL 15 HG13 VAL 15 9.349 8.270 5.382 127 HG21 VAL 15 HG21 VAL 15 7.366 6.609 2.784 128 HG22 VAL 15 HG22 VAL 15 9.085 6.287 3.016 129 HG23 VAL 15 HG23 VAL 15 8.473 7.935 3.143 130 H GLU 16 HN GLU 16 5.552 5.625 6.283 131 HA GLU 16 HA GLU 16 6.300 5.820 8.968 132 HB2 GLU 16 HB2 GLU 16 3.665 4.990 7.743 133 HB3 GLU 16 HB1 GLU 16 3.892 5.307 9.455 134 HG2 GLU 16 HG2 GLU 16 4.483 7.603 8.991 135 HG3 GLU 16 HG1 GLU 16 4.368 7.307 7.257 136 H SER 17 HN SER 17 5.435 2.999 7.048 137 HA SER 17 HA SER 17 5.421 1.236 9.324 138 HB2 SER 17 HB2 SER 17 5.478 0.543 6.379 139 HB3 SER 17 HB1 SER 17 5.010 -0.522 7.708 140 HG SER 17 HG SER 17 3.643 1.674 6.603 141 H ALA 18 HN ALA 18 7.691 2.145 6.795 142 HA ALA 18 HA ALA 18 9.618 0.141 7.316 143 HB1 ALA 18 HB1 ALA 18 11.160 1.536 6.064 144 HB2 ALA 18 HB2 ALA 18 10.047 2.899 6.175 145 HB3 ALA 18 HB3 ALA 18 9.596 1.466 5.250 146 H GLY 19 HN GLY 19 9.264 3.483 8.465 147 HA2 GLY 19 HA2 GLY 19 9.880 4.302 10.570 148 HA3 GLY 19 HA1 GLY 19 10.722 2.791 10.886 149 H GLU 20 HN GLU 20 11.537 3.926 7.865 150 HA GLU 20 HA GLU 20 13.723 5.604 8.782 151 HB2 GLU 20 HB2 GLU 20 14.519 3.236 8.903 152 HB3 GLU 20 HB1 GLU 20 14.226 3.092 7.176 153 HG2 GLU 20 HG2 GLU 20 16.583 3.497 7.712 154 HG3 GLU 20 HG1 GLU 20 15.887 4.768 6.705 155 H THR 21 HN THR 21 14.792 6.718 7.025 156 HA THR 21 HA THR 21 12.983 7.046 4.722 157 HB THR 21 HB THR 21 13.379 9.008 6.216 158 HG1 THR 21 HG1 THR 21 14.014 9.032 3.462 159 HG21 THR 21 HG21 THR 21 16.169 8.877 5.078 160 HG22 THR 21 HG22 THR 21 15.716 8.622 6.765 161 HG23 THR 21 HG23 THR 21 15.510 10.210 6.025 162 H ASP 22 HN ASP 22 15.684 5.493 5.467 163 HA ASP 22 HA ASP 22 17.317 6.215 3.184 164 HB2 ASP 22 HB2 ASP 22 18.540 5.741 5.167 165 HB3 ASP 22 HB1 ASP 22 17.662 4.241 5.439 166 H GLY 23 HN GLY 23 16.776 5.470 1.246 167 HA2 GLY 23 HA2 GLY 23 16.762 3.620 -0.272 168 HA3 GLY 23 HA1 GLY 23 16.128 2.612 1.018 169 H THR 24 HN THR 24 14.263 4.978 1.634 170 HA THR 24 HA THR 24 12.075 3.935 0.093 171 HB THR 24 HB THR 24 10.728 5.602 1.409 172 HG1 THR 24 HG1 THR 24 12.344 7.135 1.816 173 HG21 THR 24 HG21 THR 24 12.513 3.749 2.992 174 HG22 THR 24 HG22 THR 24 11.016 3.300 2.175 175 HG23 THR 24 HG23 THR 24 10.974 4.412 3.544 176 H ASP 25 HN ASP 25 13.155 4.705 -1.976 177 HA ASP 25 HA ASP 25 12.768 7.533 -2.542 178 HB2 ASP 25 HB2 ASP 25 14.699 6.151 -3.475 179 HB3 ASP 25 HB1 ASP 25 13.519 5.397 -4.541 180 H LEU 26 HN LEU 26 10.583 7.764 -2.303 181 HA LEU 26 HA LEU 26 8.926 6.483 -4.374 182 HB2 LEU 26 HB2 LEU 26 8.237 7.590 -1.655 183 HB3 LEU 26 HB1 LEU 26 7.012 7.364 -2.885 184 HG LEU 26 HG LEU 26 7.652 4.925 -2.955 185 HD11 LEU 26 HD11 LEU 26 9.150 5.628 -0.441 186 HD12 LEU 26 HD12 LEU 26 9.869 5.095 -1.961 187 HD13 LEU 26 HD13 LEU 26 8.832 4.002 -1.043 188 HD21 LEU 26 HD21 LEU 26 5.680 5.755 -1.764 189 HD22 LEU 26 HD22 LEU 26 6.662 5.972 -0.314 190 HD23 LEU 26 HD23 LEU 26 6.403 4.356 -0.970 191 H SER 27 HN SER 27 10.535 8.452 -5.209 192 HA SER 27 HA SER 27 9.533 11.083 -4.839 193 HB2 SER 27 HB2 SER 27 11.392 10.074 -6.999 194 HB3 SER 27 HB1 SER 27 11.238 11.734 -6.419 195 HG SER 27 HG SER 27 12.520 9.540 -5.276 196 H GLY 28 HN GLY 28 7.369 11.134 -5.456 197 HA2 GLY 28 HA2 GLY 28 5.789 11.840 -7.000 198 HA3 GLY 28 HA1 GLY 28 6.958 11.567 -8.283 199 H ASP 29 HN ASP 29 7.442 9.225 -8.730 200 HA ASP 29 HA ASP 29 4.894 7.761 -8.765 201 HB2 ASP 29 HB2 ASP 29 5.762 6.571 -10.711 202 HB3 ASP 29 HB1 ASP 29 5.865 8.308 -10.975 203 H PHE 30 HN PHE 30 4.976 5.437 -8.518 204 HA PHE 30 HA PHE 30 7.157 3.970 -7.618 205 HB2 PHE 30 HB2 PHE 30 6.780 3.808 -5.210 206 HB3 PHE 30 HB1 PHE 30 7.152 5.463 -5.665 207 HD1 PHE 30 HD2 PHE 30 5.307 7.155 -5.743 208 HD2 PHE 30 HD1 PHE 30 4.751 3.249 -4.133 209 HE1 PHE 30 HE2 PHE 30 3.273 7.918 -4.588 210 HE2 PHE 30 HE1 PHE 30 2.718 4.010 -2.984 211 HZ PHE 30 HZ PHE 30 2.003 6.355 -3.154 212 H LEU 31 HN LEU 31 3.763 4.526 -7.751 213 HA LEU 31 HA LEU 31 2.661 2.137 -6.900 214 HB2 LEU 31 HB2 LEU 31 1.790 3.800 -9.262 215 HB3 LEU 31 HB1 LEU 31 0.807 2.614 -8.430 216 HG LEU 31 HG LEU 31 1.841 5.176 -7.208 217 HD11 LEU 31 HD11 LEU 31 0.135 5.578 -8.906 218 HD12 LEU 31 HD12 LEU 31 -0.487 5.898 -7.287 219 HD13 LEU 31 HD13 LEU 31 -0.925 4.407 -8.123 220 HD21 LEU 31 HD21 LEU 31 0.391 4.635 -5.343 221 HD22 LEU 31 HD22 LEU 31 1.569 3.343 -5.593 222 HD23 LEU 31 HD23 LEU 31 -0.098 3.136 -6.134 223 H ASP 32 HN ASP 32 4.619 2.711 -9.644 224 HA ASP 32 HA ASP 32 3.497 0.558 -11.231 225 HB2 ASP 32 HB2 ASP 32 5.894 2.262 -11.895 226 HB3 ASP 32 HB1 ASP 32 4.826 1.412 -13.007 227 H LEU 33 HN LEU 33 6.026 1.020 -8.990 228 HA LEU 33 HA LEU 33 7.685 -1.115 -10.085 229 HB2 LEU 33 HB2 LEU 33 8.035 0.550 -7.587 230 HB3 LEU 33 HB1 LEU 33 9.208 -0.583 -8.235 231 HG LEU 33 HG LEU 33 8.285 1.965 -9.570 232 HD11 LEU 33 HD11 LEU 33 10.911 1.238 -8.278 233 HD12 LEU 33 HD12 LEU 33 9.719 2.378 -7.654 234 HD13 LEU 33 HD13 LEU 33 10.572 2.729 -9.156 235 HD21 LEU 33 HD21 LEU 33 8.800 0.234 -11.203 236 HD22 LEU 33 HD22 LEU 33 10.361 -0.050 -10.431 237 HD23 LEU 33 HD23 LEU 33 10.030 1.497 -11.213 238 H ARG 34 HN ARG 34 8.182 -3.029 -8.909 239 HA ARG 34 HA ARG 34 6.035 -4.150 -7.409 240 HB2 ARG 34 HB2 ARG 34 8.768 -5.013 -8.201 241 HB3 ARG 34 HB1 ARG 34 8.032 -5.836 -6.835 242 HG2 ARG 34 HG2 ARG 34 6.096 -6.388 -8.287 243 HG3 ARG 34 HG1 ARG 34 6.977 -5.683 -9.646 244 HD2 ARG 34 HD2 ARG 34 8.744 -7.289 -9.408 245 HD3 ARG 34 HD1 ARG 34 8.038 -7.907 -7.919 246 HE ARG 34 HE ARG 34 6.057 -8.431 -9.562 247 HH11 ARG 34 HH11 ARG 34 9.499 -8.792 -10.066 248 HH12 ARG 34 HH12 ARG 34 9.345 -10.123 -11.173 249 HH21 ARG 34 HH21 ARG 34 5.829 -10.199 -11.013 250 HH22 ARG 34 HH22 ARG 34 7.245 -10.919 -11.720 251 H PHE 35 HN PHE 35 5.985 -4.741 -5.212 252 HA PHE 35 HA PHE 35 7.054 -2.979 -3.325 253 HB2 PHE 35 HB2 PHE 35 6.096 -5.822 -2.967 254 HB3 PHE 35 HB1 PHE 35 6.458 -4.727 -1.639 255 HD1 PHE 35 HD2 PHE 35 5.207 -2.398 -1.779 256 HD2 PHE 35 HD1 PHE 35 3.919 -5.984 -3.687 257 HE1 PHE 35 HE2 PHE 35 2.914 -1.514 -1.884 258 HE2 PHE 35 HE1 PHE 35 1.624 -5.102 -3.796 259 HZ PHE 35 HZ PHE 35 1.113 -2.889 -2.871 260 H GLU 36 HN GLU 36 8.219 -6.127 -4.446 261 HA GLU 36 HA GLU 36 10.444 -6.366 -2.754 262 HB2 GLU 36 HB2 GLU 36 11.347 -7.922 -4.421 263 HB3 GLU 36 HB1 GLU 36 9.635 -8.223 -4.143 264 HG2 GLU 36 HG2 GLU 36 9.018 -7.412 -6.211 265 HG3 GLU 36 HG1 GLU 36 10.484 -6.452 -6.389 266 H ASP 37 HN ASP 37 9.883 -4.253 -5.399 267 HA ASP 37 HA ASP 37 12.685 -3.944 -6.097 268 HB2 ASP 37 HB2 ASP 37 10.748 -3.892 -7.764 269 HB3 ASP 37 HB1 ASP 37 10.363 -2.301 -7.121 270 H ILE 38 HN ILE 38 10.159 -2.263 -4.362 271 HA ILE 38 HA ILE 38 11.875 0.039 -3.924 272 HB ILE 38 HB ILE 38 9.921 0.868 -2.522 273 HG12 ILE 38 HG12 ILE 38 8.503 -1.398 -3.935 274 HG13 ILE 38 HG11 ILE 38 8.875 -1.373 -2.214 275 HG21 ILE 38 HG21 ILE 38 8.656 1.542 -4.510 276 HG22 ILE 38 HG22 ILE 38 9.520 0.330 -5.458 277 HG23 ILE 38 HG23 ILE 38 10.398 1.687 -4.750 278 HD11 ILE 38 HD11 ILE 38 7.093 0.591 -3.636 279 HD12 ILE 38 HD12 ILE 38 7.424 0.542 -1.903 280 HD13 ILE 38 HD13 ILE 38 6.552 -0.785 -2.676 281 H GLY 39 HN GLY 39 12.088 -2.838 -2.698 282 HA2 GLY 39 HA2 GLY 39 13.471 -3.459 -0.953 283 HA3 GLY 39 HA1 GLY 39 13.428 -1.808 -0.367 284 H TYR 40 HN TYR 40 10.434 -3.543 -0.890 285 HA TYR 40 HA TYR 40 10.180 -3.757 2.035 286 HB2 TYR 40 HB2 TYR 40 8.081 -3.253 -0.073 287 HB3 TYR 40 HB1 TYR 40 7.683 -3.707 1.583 288 HD1 TYR 40 HD1 TYR 40 9.021 -1.075 -0.571 289 HD2 TYR 40 HD2 TYR 40 8.042 -2.161 3.421 290 HE1 TYR 40 HE1 TYR 40 9.170 1.281 0.098 291 HE2 TYR 40 HE2 TYR 40 8.190 0.196 4.107 292 HH TYR 40 HH TYR 40 8.336 2.752 1.857 293 H ASP 41 HN ASP 41 10.187 -5.698 2.842 294 HA ASP 41 HA ASP 41 9.922 -7.979 1.046 295 HB2 ASP 41 HB2 ASP 41 11.867 -7.505 2.759 296 HB3 ASP 41 HB1 ASP 41 10.751 -8.226 3.914 297 H SER 42 HN SER 42 9.243 -9.993 2.746 298 HA SER 42 HA SER 42 6.500 -10.065 2.465 299 HB2 SER 42 HB2 SER 42 6.590 -12.073 3.910 300 HB3 SER 42 HB1 SER 42 7.891 -12.063 2.715 301 H LEU 43 HN LEU 43 8.211 -9.806 5.571 302 HA LEU 43 HA LEU 43 5.937 -9.497 7.154 303 HB2 LEU 43 HB2 LEU 43 8.132 -10.129 8.027 304 HB3 LEU 43 HB1 LEU 43 8.746 -8.527 7.668 305 HG LEU 43 HG LEU 43 7.128 -7.585 9.307 306 HD11 LEU 43 HD11 LEU 43 6.045 -9.109 10.885 307 HD12 LEU 43 HD12 LEU 43 6.619 -10.489 9.949 308 HD13 LEU 43 HD13 LEU 43 5.463 -9.361 9.240 309 HD21 LEU 43 HD21 LEU 43 8.348 -8.343 11.292 310 HD22 LEU 43 HD22 LEU 43 9.436 -8.026 9.941 311 HD23 LEU 43 HD23 LEU 43 9.017 -9.685 10.364 312 H ALA 44 HN ALA 44 8.143 -7.004 5.916 313 HA ALA 44 HA ALA 44 6.883 -4.833 7.166 314 HB1 ALA 44 HB1 ALA 44 8.510 -4.828 4.629 315 HB2 ALA 44 HB2 ALA 44 9.162 -4.752 6.266 316 HB3 ALA 44 HB3 ALA 44 8.163 -3.434 5.652 317 H LEU 45 HN LEU 45 6.198 -6.526 4.205 318 HA LEU 45 HA LEU 45 4.672 -4.559 2.911 319 HB2 LEU 45 HB2 LEU 45 5.537 -6.620 1.848 320 HB3 LEU 45 HB1 LEU 45 4.369 -7.559 2.756 321 HG LEU 45 HG LEU 45 2.530 -6.470 1.579 322 HD11 LEU 45 HD11 LEU 45 2.951 -4.937 -0.264 323 HD12 LEU 45 HD12 LEU 45 4.681 -4.992 0.069 324 HD13 LEU 45 HD13 LEU 45 3.579 -4.285 1.250 325 HD21 LEU 45 HD21 LEU 45 2.906 -7.404 -0.637 326 HD22 LEU 45 HD22 LEU 45 3.534 -8.487 0.605 327 HD23 LEU 45 HD23 LEU 45 4.640 -7.478 -0.326 328 H MET 46 HN MET 46 3.616 -7.270 5.005 329 HA MET 46 HA MET 46 0.881 -6.496 4.903 330 HB2 MET 46 HB2 MET 46 0.463 -8.135 6.625 331 HB3 MET 46 HB1 MET 46 1.561 -8.809 5.432 332 HG2 MET 46 HG2 MET 46 3.401 -8.649 6.880 333 HG3 MET 46 HG1 MET 46 2.532 -7.594 7.990 334 HE1 MET 46 HE1 MET 46 0.596 -8.398 9.609 335 HE2 MET 46 HE2 MET 46 -0.063 -10.033 9.599 336 HE3 MET 46 HE3 MET 46 -0.299 -8.980 8.204 337 H GLU 47 HN GLU 47 3.545 -5.680 7.037 338 HA GLU 47 HA GLU 47 2.002 -4.517 9.103 339 HB2 GLU 47 HB2 GLU 47 4.824 -3.887 8.214 340 HB3 GLU 47 HB1 GLU 47 4.092 -3.320 9.709 341 HG2 GLU 47 HG2 GLU 47 3.808 -5.657 10.425 342 HG3 GLU 47 HG1 GLU 47 4.612 -6.186 8.949 343 H THR 48 HN THR 48 3.377 -3.242 6.121 344 HA THR 48 HA THR 48 2.634 -0.556 6.448 345 HB THR 48 HB THR 48 2.794 -2.083 3.841 346 HG1 THR 48 HG1 THR 48 4.745 -2.290 5.006 347 HG21 THR 48 HG21 THR 48 1.758 0.124 3.627 348 HG22 THR 48 HG22 THR 48 3.355 0.108 2.882 349 HG23 THR 48 HG23 THR 48 3.129 0.855 4.463 350 H ALA 49 HN ALA 49 0.888 -3.313 5.081 351 HA ALA 49 HA ALA 49 -1.316 -2.006 4.006 352 HB1 ALA 49 HB1 ALA 49 -1.299 -4.725 5.298 353 HB2 ALA 49 HB2 ALA 49 -0.773 -4.382 3.649 354 HB3 ALA 49 HB3 ALA 49 -2.458 -4.130 4.109 355 H ALA 50 HN ALA 50 -0.713 -3.025 7.322 356 HA ALA 50 HA ALA 50 -3.334 -2.728 8.305 357 HB1 ALA 50 HB1 ALA 50 -2.310 -2.712 10.527 358 HB2 ALA 50 HB2 ALA 50 -0.718 -2.503 9.797 359 HB3 ALA 50 HB3 ALA 50 -1.634 -3.985 9.513 360 H ARG 51 HN ARG 51 -0.764 -0.466 7.730 361 HA ARG 51 HA ARG 51 -1.715 1.646 9.356 362 HB2 ARG 51 HB2 ARG 51 0.013 1.727 6.880 363 HB3 ARG 51 HB1 ARG 51 -0.215 3.051 8.001 364 HG2 ARG 51 HG2 ARG 51 0.992 0.400 8.731 365 HG3 ARG 51 HG1 ARG 51 1.912 1.841 8.305 366 HD2 ARG 51 HD2 ARG 51 1.860 1.721 10.679 367 HD3 ARG 51 HD1 ARG 51 0.779 3.024 10.196 368 HE ARG 51 HE ARG 51 -1.011 1.167 10.474 369 HH11 ARG 51 HH11 ARG 51 1.857 1.535 12.434 370 HH12 ARG 51 HH12 ARG 51 1.110 0.937 13.886 371 HH21 ARG 51 HH21 ARG 51 -2.002 0.321 12.368 372 HH22 ARG 51 HH22 ARG 51 -1.073 0.191 13.835 373 H LEU 52 HN LEU 52 -2.334 0.656 6.052 374 HA LEU 52 HA LEU 52 -3.803 2.968 5.284 375 HB2 LEU 52 HB2 LEU 52 -3.885 0.162 4.162 376 HB3 LEU 52 HB1 LEU 52 -4.566 1.583 3.396 377 HG LEU 52 HG LEU 52 -1.627 1.195 3.967 378 HD11 LEU 52 HD11 LEU 52 -1.413 0.878 1.553 379 HD12 LEU 52 HD12 LEU 52 -3.170 0.933 1.391 380 HD13 LEU 52 HD13 LEU 52 -2.406 -0.379 2.289 381 HD21 LEU 52 HD21 LEU 52 -3.105 3.296 2.387 382 HD22 LEU 52 HD22 LEU 52 -1.353 3.133 2.493 383 HD23 LEU 52 HD23 LEU 52 -2.290 3.530 3.934 384 H GLU 53 HN GLU 53 -4.690 -0.231 6.510 385 HA GLU 53 HA GLU 53 -7.466 0.012 6.332 386 HB2 GLU 53 HB2 GLU 53 -5.823 -1.501 8.369 387 HB3 GLU 53 HB1 GLU 53 -7.548 -1.706 8.125 388 HG2 GLU 53 HG2 GLU 53 -7.128 -2.461 5.833 389 HG3 GLU 53 HG1 GLU 53 -5.396 -2.281 6.107 390 H SER 54 HN SER 54 -5.300 0.803 9.050 391 HA SER 54 HA SER 54 -7.305 1.541 10.870 392 HB2 SER 54 HB2 SER 54 -4.473 2.598 10.753 393 HB3 SER 54 HB1 SER 54 -5.525 2.551 12.167 394 HG SER 54 HG SER 54 -5.373 0.081 11.158 395 H ARG 55 HN ARG 55 -5.677 3.367 8.349 396 HA ARG 55 HA ARG 55 -6.430 5.940 9.365 397 HB2 ARG 55 HB2 ARG 55 -4.379 5.574 8.043 398 HB3 ARG 55 HB1 ARG 55 -5.360 5.166 6.642 399 HG2 ARG 55 HG2 ARG 55 -6.179 7.391 6.462 400 HG3 ARG 55 HG1 ARG 55 -5.507 7.829 8.034 401 HD2 ARG 55 HD2 ARG 55 -3.914 7.057 5.588 402 HD3 ARG 55 HD1 ARG 55 -4.134 8.698 6.198 403 HE ARG 55 HE ARG 55 -3.113 7.234 8.302 404 HH11 ARG 55 HH11 ARG 55 -2.058 8.237 5.112 405 HH12 ARG 55 HH12 ARG 55 -0.370 8.102 5.497 406 HH21 ARG 55 HH21 ARG 55 -0.892 7.087 8.804 407 HH22 ARG 55 HH22 ARG 55 0.302 7.467 7.595 408 H TYR 56 HN TYR 56 -7.609 3.854 6.747 409 HA TYR 56 HA TYR 56 -9.669 5.846 6.145 410 HB2 TYR 56 HB2 TYR 56 -8.713 3.432 4.609 411 HB3 TYR 56 HB1 TYR 56 -10.079 4.429 4.112 412 HD1 TYR 56 HD2 TYR 56 -9.676 6.868 3.589 413 HD2 TYR 56 HD1 TYR 56 -6.498 4.095 4.144 414 HE1 TYR 56 HE2 TYR 56 -8.139 8.405 2.441 415 HE2 TYR 56 HE1 TYR 56 -4.951 5.624 2.998 416 HH TYR 56 HH TYR 56 -5.038 7.481 1.396 417 H GLY 57 HN GLY 57 -9.333 3.053 7.964 418 HA2 GLY 57 HA2 GLY 57 -10.911 1.890 9.171 419 HA3 GLY 57 HA1 GLY 57 -12.138 2.963 8.513 420 H VAL 58 HN VAL 58 -9.884 0.800 6.868 421 HA VAL 58 HA VAL 58 -12.215 -0.516 5.636 422 HB VAL 58 HB VAL 58 -10.827 -1.021 3.690 423 HG11 VAL 58 HG11 VAL 58 -10.741 1.891 4.458 424 HG12 VAL 58 HG12 VAL 58 -12.074 1.055 3.658 425 HG13 VAL 58 HG13 VAL 58 -10.531 1.259 2.825 426 HG21 VAL 58 HG21 VAL 58 -8.667 -1.181 4.832 427 HG22 VAL 58 HG22 VAL 58 -8.672 0.564 5.083 428 HG23 VAL 58 HG23 VAL 58 -8.587 -0.092 3.448 429 H SER 59 HN SER 59 -11.245 -2.723 4.581 430 HA SER 59 HA SER 59 -9.568 -4.116 6.515 431 HB2 SER 59 HB2 SER 59 -12.275 -5.144 5.615 432 HB3 SER 59 HB1 SER 59 -11.159 -5.962 6.702 433 HG SER 59 HG SER 59 -12.873 -4.832 7.790 434 H ILE 60 HN ILE 60 -8.002 -5.064 5.365 435 HA ILE 60 HA ILE 60 -8.446 -5.516 2.512 436 HB ILE 60 HB ILE 60 -5.889 -5.706 4.121 437 HG12 ILE 60 HG12 ILE 60 -6.869 -3.568 2.208 438 HG13 ILE 60 HG11 ILE 60 -6.813 -3.421 3.961 439 HG21 ILE 60 HG21 ILE 60 -4.748 -5.792 1.962 440 HG22 ILE 60 HG22 ILE 60 -6.303 -5.772 1.128 441 HG23 ILE 60 HG23 ILE 60 -5.860 -7.150 2.137 442 HD11 ILE 60 HD11 ILE 60 -4.947 -2.272 2.919 443 HD12 ILE 60 HD12 ILE 60 -4.436 -3.775 2.151 444 HD13 ILE 60 HD13 ILE 60 -4.387 -3.622 3.907 445 HA PRO 61 HA PRO 61 -9.279 -9.820 3.504 446 HB2 PRO 61 HB2 PRO 61 -9.536 -10.066 0.583 447 HB3 PRO 61 HB1 PRO 61 -10.730 -10.380 1.846 448 HG2 PRO 61 HG2 PRO 61 -10.925 -8.266 0.201 449 HG3 PRO 61 HG1 PRO 61 -11.451 -8.193 1.894 450 HD2 PRO 61 HD2 PRO 61 -8.930 -7.164 0.645 451 HD3 PRO 61 HD1 PRO 61 -9.968 -6.408 1.873 452 H ASP 62 HN ASP 62 -7.752 -11.304 3.805 453 HA ASP 62 HA ASP 62 -5.187 -11.089 2.645 454 HB2 ASP 62 HB2 ASP 62 -4.672 -13.202 3.807 455 HB3 ASP 62 HB1 ASP 62 -5.454 -12.037 4.869 456 H ASP 63 HN ASP 63 -8.017 -12.389 1.409 457 HA ASP 63 HA ASP 63 -6.881 -14.373 -0.310 458 HB2 ASP 63 HB2 ASP 63 -9.437 -12.766 -0.575 459 HB3 ASP 63 HB1 ASP 63 -8.998 -14.131 -1.596 460 H VAL 64 HN VAL 64 -8.022 -11.040 -0.836 461 HA VAL 64 HA VAL 64 -6.946 -10.959 -3.493 462 HB VAL 64 HB VAL 64 -7.820 -8.541 -1.942 463 HG11 VAL 64 HG11 VAL 64 -8.479 -7.723 -4.155 464 HG12 VAL 64 HG12 VAL 64 -7.927 -9.234 -4.878 465 HG13 VAL 64 HG13 VAL 64 -6.770 -8.149 -4.107 466 HG21 VAL 64 HG21 VAL 64 -9.614 -10.481 -3.397 467 HG22 VAL 64 HG22 VAL 64 -10.103 -8.920 -2.737 468 HG23 VAL 64 HG23 VAL 64 -9.570 -10.208 -1.657 469 H ALA 65 HN ALA 65 -5.793 -10.246 -0.349 470 HA ALA 65 HA ALA 65 -3.791 -8.372 -0.899 471 HB1 ALA 65 HB1 ALA 65 -4.460 -8.917 1.368 472 HB2 ALA 65 HB2 ALA 65 -2.726 -9.161 1.168 473 HB3 ALA 65 HB3 ALA 65 -3.816 -10.549 1.187 474 H GLY 66 HN GLY 66 -3.959 -11.789 -1.462 475 HA2 GLY 66 HA2 GLY 66 -1.120 -11.879 -2.195 476 HA3 GLY 66 HA1 GLY 66 -2.187 -13.266 -2.025 477 H ARG 67 HN ARG 67 -3.619 -10.711 -3.716 478 HA ARG 67 HA ARG 67 -3.108 -12.104 -6.256 479 HB2 ARG 67 HB2 ARG 67 -5.430 -10.343 -5.439 480 HB3 ARG 67 HB1 ARG 67 -5.219 -11.044 -7.039 481 HG2 ARG 67 HG2 ARG 67 -5.366 -13.284 -6.083 482 HG3 ARG 67 HG1 ARG 67 -5.552 -12.590 -4.473 483 HD2 ARG 67 HD2 ARG 67 -7.704 -13.275 -5.438 484 HD3 ARG 67 HD1 ARG 67 -7.640 -11.540 -5.138 485 HE ARG 67 HE ARG 67 -6.881 -12.255 -7.818 486 HH11 ARG 67 HH11 ARG 67 -9.646 -11.705 -5.727 487 HH12 ARG 67 HH12 ARG 67 -10.659 -11.134 -7.022 488 HH21 ARG 67 HH21 ARG 67 -8.217 -11.535 -9.503 489 HH22 ARG 67 HH22 ARG 67 -9.848 -11.048 -9.171 490 H VAL 68 HN VAL 68 -2.227 -9.394 -4.568 491 HA VAL 68 HA VAL 68 -1.962 -7.719 -6.958 492 HB VAL 68 HB VAL 68 -1.336 -5.894 -5.444 493 HG11 VAL 68 HG11 VAL 68 -3.877 -7.318 -4.666 494 HG12 VAL 68 HG12 VAL 68 -3.675 -6.164 -5.987 495 HG13 VAL 68 HG13 VAL 68 -3.509 -5.631 -4.313 496 HG21 VAL 68 HG21 VAL 68 -0.247 -7.180 -3.688 497 HG22 VAL 68 HG22 VAL 68 -1.790 -7.905 -3.239 498 HG23 VAL 68 HG23 VAL 68 -1.528 -6.177 -3.007 499 H ASP 69 HN ASP 69 0.126 -6.489 -7.135 500 HA ASP 69 HA ASP 69 2.457 -7.825 -6.009 501 HB2 ASP 69 HB2 ASP 69 1.899 -8.972 -8.192 502 HB3 ASP 69 HB1 ASP 69 2.181 -7.438 -9.001 503 H THR 70 HN THR 70 1.070 -5.257 -7.969 504 HA THR 70 HA THR 70 3.278 -3.492 -7.138 505 HB THR 70 HB THR 70 2.493 -2.004 -9.020 506 HG1 THR 70 HG1 THR 70 0.880 -4.301 -9.524 507 HG21 THR 70 HG21 THR 70 4.453 -3.434 -9.282 508 HG22 THR 70 HG22 THR 70 3.545 -3.345 -10.794 509 HG23 THR 70 HG23 THR 70 3.419 -4.775 -9.771 510 HA PRO 71 HA PRO 71 0.566 -1.073 -4.545 511 HB2 PRO 71 HB2 PRO 71 1.894 1.272 -5.805 512 HB3 PRO 71 HB1 PRO 71 1.717 0.863 -4.096 513 HG2 PRO 71 HG2 PRO 71 4.052 0.566 -5.339 514 HG3 PRO 71 HG1 PRO 71 3.508 -0.605 -4.124 515 HD2 PRO 71 HD2 PRO 71 3.554 -0.831 -7.098 516 HD3 PRO 71 HD1 PRO 71 3.855 -2.069 -5.864 517 H ARG 72 HN ARG 72 0.979 -0.297 -7.934 518 HA ARG 72 HA ARG 72 -1.153 1.400 -8.411 519 HB2 ARG 72 HB2 ARG 72 0.710 0.084 -9.933 520 HB3 ARG 72 HB1 ARG 72 -0.773 -0.721 -10.421 521 HG2 ARG 72 HG2 ARG 72 -0.733 2.250 -10.378 522 HG3 ARG 72 HG1 ARG 72 0.129 1.413 -11.669 523 HD2 ARG 72 HD2 ARG 72 -2.022 1.847 -12.513 524 HD3 ARG 72 HD1 ARG 72 -2.020 0.140 -12.078 525 HE ARG 72 HE ARG 72 -3.019 1.374 -9.869 526 HH11 ARG 72 HH11 ARG 72 -3.859 1.385 -13.267 527 HH12 ARG 72 HH12 ARG 72 -5.555 1.659 -12.980 528 HH21 ARG 72 HH21 ARG 72 -5.251 1.743 -9.493 529 HH22 ARG 72 HH22 ARG 72 -6.343 1.838 -10.836 530 H GLU 73 HN GLU 73 -1.109 -2.146 -8.345 531 HA GLU 73 HA GLU 73 -3.883 -2.499 -8.851 532 HB2 GLU 73 HB2 GLU 73 -1.943 -4.370 -7.487 533 HB3 GLU 73 HB1 GLU 73 -3.493 -4.817 -8.187 534 HG2 GLU 73 HG2 GLU 73 -2.711 -4.371 -10.388 535 HG3 GLU 73 HG1 GLU 73 -1.230 -3.639 -9.769 536 H LEU 74 HN LEU 74 -1.930 -2.474 -5.904 537 HA LEU 74 HA LEU 74 -3.902 -3.188 -4.060 538 HB2 LEU 74 HB2 LEU 74 -1.350 -2.904 -3.777 539 HB3 LEU 74 HB1 LEU 74 -1.703 -1.218 -3.466 540 HG LEU 74 HG LEU 74 -1.369 -2.646 -1.431 541 HD11 LEU 74 HD11 LEU 74 -3.186 -1.667 -0.169 542 HD12 LEU 74 HD12 LEU 74 -4.070 -1.331 -1.660 543 HD13 LEU 74 HD13 LEU 74 -2.547 -0.505 -1.328 544 HD21 LEU 74 HD21 LEU 74 -3.984 -3.835 -2.338 545 HD22 LEU 74 HD22 LEU 74 -3.288 -4.048 -0.730 546 HD23 LEU 74 HD23 LEU 74 -2.442 -4.668 -2.150 547 H LEU 75 HN LEU 75 -2.914 -0.004 -5.217 548 HA LEU 75 HA LEU 75 -4.648 1.591 -3.744 549 HB2 LEU 75 HB2 LEU 75 -2.825 2.467 -5.107 550 HB3 LEU 75 HB1 LEU 75 -3.641 1.947 -6.566 551 HG LEU 75 HG LEU 75 -5.488 3.550 -6.010 552 HD11 LEU 75 HD11 LEU 75 -4.986 5.339 -4.405 553 HD12 LEU 75 HD12 LEU 75 -3.519 4.482 -3.924 554 HD13 LEU 75 HD13 LEU 75 -5.100 3.760 -3.629 555 HD21 LEU 75 HD21 LEU 75 -4.208 5.541 -6.711 556 HD22 LEU 75 HD22 LEU 75 -3.821 4.107 -7.662 557 HD23 LEU 75 HD23 LEU 75 -2.711 4.659 -6.408 558 H ASP 76 HN ASP 76 -5.159 -0.047 -6.840 559 HA ASP 76 HA ASP 76 -7.698 1.133 -7.346 560 HB2 ASP 76 HB2 ASP 76 -6.052 0.069 -9.010 561 HB3 ASP 76 HB1 ASP 76 -6.750 -1.470 -8.519 562 H LEU 77 HN LEU 77 -6.626 -1.672 -5.621 563 HA LEU 77 HA LEU 77 -9.072 -3.069 -5.446 564 HB2 LEU 77 HB2 LEU 77 -6.992 -4.149 -4.872 565 HB3 LEU 77 HB1 LEU 77 -6.687 -2.982 -3.601 566 HG LEU 77 HG LEU 77 -8.635 -3.860 -2.355 567 HD11 LEU 77 HD11 LEU 77 -9.592 -6.029 -3.048 568 HD12 LEU 77 HD12 LEU 77 -8.726 -5.892 -4.578 569 HD13 LEU 77 HD13 LEU 77 -9.974 -4.718 -4.161 570 HD21 LEU 77 HD21 LEU 77 -6.434 -4.680 -1.817 571 HD22 LEU 77 HD22 LEU 77 -6.522 -5.870 -3.114 572 HD23 LEU 77 HD23 LEU 77 -7.593 -6.006 -1.719 573 H ILE 78 HN ILE 78 -7.498 -0.929 -3.068 574 HA ILE 78 HA ILE 78 -9.710 -1.012 -1.291 575 HB ILE 78 HB ILE 78 -7.436 0.979 -1.385 576 HG12 ILE 78 HG12 ILE 78 -7.769 -1.619 0.142 577 HG13 ILE 78 HG11 ILE 78 -6.636 -1.321 -1.175 578 HG21 ILE 78 HG21 ILE 78 -9.357 0.291 0.838 579 HG22 ILE 78 HG22 ILE 78 -9.321 1.798 -0.078 580 HG23 ILE 78 HG23 ILE 78 -7.972 1.376 0.978 581 HD11 ILE 78 HD11 ILE 78 -5.509 -1.275 0.970 582 HD12 ILE 78 HD12 ILE 78 -6.597 -0.006 1.539 583 HD13 ILE 78 HD13 ILE 78 -5.472 0.320 0.219 584 H ASN 79 HN ASN 79 -8.589 1.433 -3.623 585 HA ASN 79 HA ASN 79 -10.580 3.345 -3.095 586 HB2 ASN 79 HB2 ASN 79 -8.924 2.804 -5.555 587 HB3 ASN 79 HB1 ASN 79 -10.090 4.120 -5.485 588 HD21 ASN 79 HD21 ASN 79 -8.484 5.687 -5.694 589 HD22 ASN 79 HD22 ASN 79 -7.384 6.055 -4.409 590 H GLY 80 HN GLY 80 -10.553 0.528 -5.211 591 HA2 GLY 80 HA2 GLY 80 -12.899 1.065 -6.659 592 HA3 GLY 80 HA1 GLY 80 -12.232 -0.534 -6.365 593 H ALA 81 HN ALA 81 -12.419 -0.420 -3.507 594 HA ALA 81 HA ALA 81 -15.138 -1.236 -3.181 595 HB1 ALA 81 HB1 ALA 81 -12.952 -0.827 -1.138 596 HB2 ALA 81 HB2 ALA 81 -13.349 -2.336 -1.959 597 HB3 ALA 81 HB3 ALA 81 -14.500 -1.615 -0.833 598 H LEU 82 HN LEU 82 -13.220 1.537 -2.071 599 HA LEU 82 HA LEU 82 -15.261 2.671 -0.459 600 HB2 LEU 82 HB2 LEU 82 -12.820 3.939 -1.693 601 HB3 LEU 82 HB1 LEU 82 -13.825 4.684 -0.467 602 HG LEU 82 HG LEU 82 -12.274 2.126 -0.079 603 HD11 LEU 82 HD11 LEU 82 -11.665 4.926 0.858 604 HD12 LEU 82 HD12 LEU 82 -10.787 4.037 -0.387 605 HD13 LEU 82 HD13 LEU 82 -10.763 3.472 1.285 606 HD21 LEU 82 HD21 LEU 82 -12.797 2.467 2.286 607 HD22 LEU 82 HD22 LEU 82 -14.265 2.291 1.324 608 HD23 LEU 82 HD23 LEU 82 -13.756 3.889 1.871 609 H ALA 83 HN ALA 83 -14.507 2.905 -3.847 610 HA ALA 83 HA ALA 83 -15.848 5.343 -4.395 611 HB1 ALA 83 HB1 ALA 83 -15.692 4.694 -6.739 612 HB2 ALA 83 HB2 ALA 83 -15.239 3.057 -6.264 613 HB3 ALA 83 HB3 ALA 83 -14.168 4.410 -5.899 614 H GLU 84 HN GLU 84 -17.132 2.423 -3.430 615 HA GLU 84 HA GLU 84 -19.548 2.549 -5.014 616 HB2 GLU 84 HB2 GLU 84 -18.556 0.400 -4.147 617 HB3 GLU 84 HB1 GLU 84 -19.016 0.910 -2.528 618 HG2 GLU 84 HG2 GLU 84 -21.355 0.922 -3.175 619 HG3 GLU 84 HG1 GLU 84 -20.915 0.464 -4.820 620 H ALA 85 HN ALA 85 -18.330 4.101 -2.274 621 HA ALA 85 HA ALA 85 -21.038 4.811 -1.353 622 HB1 ALA 85 HB1 ALA 85 -18.416 5.074 0.118 623 HB2 ALA 85 HB2 ALA 85 -19.623 3.814 0.378 624 HB3 ALA 85 HB3 ALA 85 -20.007 5.494 0.750 625 H ALA 86 HN ALA 86 -21.167 7.121 -0.509 626 HA ALA 86 HA ALA 86 -20.066 8.866 -2.567 627 HB1 ALA 86 HB1 ALA 86 -21.754 10.488 -1.796 628 HB2 ALA 86 HB2 ALA 86 -22.254 9.347 -0.545 629 HB3 ALA 86 HB3 ALA 86 -22.472 8.942 -2.246 630 H28 SXO 87 H28B SXO 87 6.181 -11.768 5.947 631 H28A SXO 87 H28A SXO 87 6.765 -12.529 7.427 632 H30 SXO 87 H30A SXO 87 3.978 -11.481 6.422 633 H30A SXO 87 H30C SXO 87 3.022 -12.682 7.292 634 H30B SXO 87 H30B SXO 87 4.379 -11.886 8.090 635 H31 SXO 87 H31A SXO 87 3.473 -14.414 5.508 636 H31A SXO 87 H31B SXO 87 5.133 -14.665 4.969 637 H31B SXO 87 H31C SXO 87 4.315 -13.140 4.624 638 H32 SXO 87 H32A SXO 87 5.372 -14.092 8.658 639 HO33 SXO 87 H33A SXO 87 5.590 -16.065 6.641 640 HN36 SXO 87 H36A SXO 87 3.033 -13.678 9.001 641 H37 SXO 87 H37A SXO 87 1.283 -15.968 8.343 642 H37A SXO 87 H37B SXO 87 1.408 -15.316 9.972 643 H38 SXO 87 H38B SXO 87 0.715 -13.073 8.910 644 H38A SXO 87 H38A SXO 87 -0.516 -14.317 9.155 645 HN41 SXO 87 H41A SXO 87 0.322 -12.041 7.119 646 H42 SXO 87 H42A SXO 87 0.021 -13.441 4.585 647 H42A SXO 87 H42B SXO 87 -1.313 -12.401 5.072 648 H43 SXO 87 H43B SXO 87 0.265 -10.497 5.203 649 H43A SXO 87 H43A SXO 87 1.541 -11.559 4.585 650 H2 SXO 87 H2A SXO 87 -0.266 -9.500 0.882 651 H2A SXO 87 H2B SXO 87 1.377 -8.895 0.681 652 H3 SXO 87 H3B SXO 87 -0.714 -7.591 2.420 653 H3A SXO 87 H3A SXO 87 0.879 -6.951 2.010 654 H4 SXO 87 H4A SXO 87 -1.403 -7.449 0.099 655 H4A SXO 87 H4B SXO 87 0.206 -6.896 -0.369 656 H5 SXO 87 H5B SXO 87 -1.488 -5.078 -0.179 657 H5A SXO 87 H5A SXO 87 -1.598 -5.424 1.548 658 H6 SXO 87 H6A SXO 87 0.913 -4.602 0.082 659 H6A SXO 87 H6B SXO 87 0.768 -4.896 1.818 660 H7 SXO 87 H7A SXO 87 -0.800 -3.033 2.019 661 H7A SXO 87 H7B SXO 87 -0.693 -2.749 0.272 662 H8 SXO 87 H8C SXO 87 1.606 -2.607 2.216 663 H8A SXO 87 H8A SXO 87 0.746 -1.221 1.546 664 H8B SXO 87 H8B SXO 87 1.680 -2.276 0.485 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -18.307 12.806 2.811 2 H2 MET 1 HT2 MET 1 -19.285 11.955 1.720 3 H3 MET 1 HT3 MET 1 -19.539 13.611 1.970 4 HA MET 1 HA MET 1 -18.427 13.275 -0.112 5 HB2 MET 1 HB2 MET 1 -16.562 14.380 2.006 6 HB3 MET 1 HB1 MET 1 -16.433 14.682 0.280 7 HG2 MET 1 HG2 MET 1 -18.695 15.524 2.073 8 HG3 MET 1 HG1 MET 1 -17.433 16.565 1.420 9 HE1 MET 1 HE1 MET 1 -20.746 17.640 -0.451 10 HE2 MET 1 HE2 MET 1 -19.412 18.203 0.556 11 HE3 MET 1 HE3 MET 1 -20.597 17.070 1.210 12 H ALA 2 HN ALA 2 -16.510 12.038 2.599 13 HA ALA 2 HA ALA 2 -15.147 10.261 2.840 14 HB1 ALA 2 HB1 ALA 2 -16.283 9.310 0.219 15 HB2 ALA 2 HB2 ALA 2 -16.973 9.003 1.813 16 HB3 ALA 2 HB3 ALA 2 -15.396 8.337 1.391 17 H THR 3 HN THR 3 -13.145 11.084 2.777 18 HA THR 3 HA THR 3 -11.813 11.589 0.261 19 HB THR 3 HB THR 3 -11.243 13.071 2.069 20 HG1 THR 3 HG1 THR 3 -8.982 11.377 1.852 21 HG21 THR 3 HG21 THR 3 -11.765 11.646 3.975 22 HG22 THR 3 HG22 THR 3 -10.138 12.311 4.125 23 HG23 THR 3 HG23 THR 3 -10.361 10.635 3.622 24 H LEU 4 HN LEU 4 -11.148 9.933 -0.908 25 HA LEU 4 HA LEU 4 -10.756 7.326 0.236 26 HB2 LEU 4 HB2 LEU 4 -10.201 8.239 -2.585 27 HB3 LEU 4 HB1 LEU 4 -10.383 6.584 -2.034 28 HG LEU 4 HG LEU 4 -12.547 8.688 -2.192 29 HD11 LEU 4 HD11 LEU 4 -13.545 7.107 -3.798 30 HD12 LEU 4 HD12 LEU 4 -12.106 6.094 -3.667 31 HD13 LEU 4 HD13 LEU 4 -11.982 7.722 -4.336 32 HD21 LEU 4 HD21 LEU 4 -14.077 6.969 -1.401 33 HD22 LEU 4 HD22 LEU 4 -12.836 7.301 -0.193 34 HD23 LEU 4 HD23 LEU 4 -12.730 5.849 -1.187 35 H LEU 5 HN LEU 5 -8.764 6.131 -0.939 36 HA LEU 5 HA LEU 5 -6.446 7.185 0.420 37 HB2 LEU 5 HB2 LEU 5 -7.371 4.701 0.017 38 HB3 LEU 5 HB1 LEU 5 -6.317 4.811 -1.375 39 HG LEU 5 HG LEU 5 -5.422 5.191 1.484 40 HD11 LEU 5 HD11 LEU 5 -5.148 2.814 -0.345 41 HD12 LEU 5 HD12 LEU 5 -6.143 2.910 1.107 42 HD13 LEU 5 HD13 LEU 5 -4.386 2.987 1.236 43 HD21 LEU 5 HD21 LEU 5 -3.169 4.954 0.557 44 HD22 LEU 5 HD22 LEU 5 -4.000 6.371 -0.084 45 HD23 LEU 5 HD23 LEU 5 -3.846 4.916 -1.070 46 H THR 6 HN THR 6 -4.964 8.496 -0.562 47 HA THR 6 HA THR 6 -4.929 8.586 -3.499 48 HB THR 6 HB THR 6 -3.899 10.768 -3.331 49 HG1 THR 6 HG1 THR 6 -4.088 10.735 -0.503 50 HG21 THR 6 HG21 THR 6 -6.200 10.560 -1.386 51 HG22 THR 6 HG22 THR 6 -6.343 10.700 -3.138 52 HG23 THR 6 HG23 THR 6 -5.665 12.030 -2.199 53 H THR 7 HN THR 7 -2.693 9.147 -4.444 54 HA THR 7 HA THR 7 -0.836 7.145 -3.764 55 HB THR 7 HB THR 7 0.760 8.708 -5.163 56 HG1 THR 7 HG1 THR 7 -1.478 9.628 -6.459 57 HG21 THR 7 HG21 THR 7 -1.654 7.322 -6.326 58 HG22 THR 7 HG22 THR 7 -0.109 6.568 -5.930 59 HG23 THR 7 HG23 THR 7 -0.203 7.767 -7.221 60 H ASP 8 HN ASP 8 -1.075 10.547 -2.782 61 HA ASP 8 HA ASP 8 1.457 10.577 -1.453 62 HB2 ASP 8 HB2 ASP 8 0.371 12.675 -2.132 63 HB3 ASP 8 HB1 ASP 8 -0.948 12.368 -1.004 64 H ASP 9 HN ASP 9 -1.849 9.920 -0.471 65 HA ASP 9 HA ASP 9 -1.466 9.550 2.272 66 HB2 ASP 9 HB2 ASP 9 -3.384 8.459 0.262 67 HB3 ASP 9 HB1 ASP 9 -3.324 7.703 1.846 68 H LEU 10 HN LEU 10 -1.149 7.283 -0.417 69 HA LEU 10 HA LEU 10 -0.316 5.072 1.156 70 HB2 LEU 10 HB2 LEU 10 -1.255 4.984 -1.180 71 HB3 LEU 10 HB1 LEU 10 0.285 5.586 -1.755 72 HG LEU 10 HG LEU 10 1.397 3.570 -0.866 73 HD11 LEU 10 HD11 LEU 10 -1.412 2.703 -0.196 74 HD12 LEU 10 HD12 LEU 10 -0.115 3.045 0.948 75 HD13 LEU 10 HD13 LEU 10 0.015 1.667 -0.147 76 HD21 LEU 10 HD21 LEU 10 -0.920 3.058 -2.728 77 HD22 LEU 10 HD22 LEU 10 0.469 1.993 -2.511 78 HD23 LEU 10 HD23 LEU 10 0.694 3.607 -3.182 79 H ARG 11 HN ARG 11 1.394 7.630 -0.591 80 HA ARG 11 HA ARG 11 4.010 6.755 -0.383 81 HB2 ARG 11 HB2 ARG 11 3.334 8.763 -1.646 82 HB3 ARG 11 HB1 ARG 11 3.001 9.601 -0.137 83 HG2 ARG 11 HG2 ARG 11 5.365 9.443 0.475 84 HG3 ARG 11 HG1 ARG 11 5.694 8.600 -1.037 85 HD2 ARG 11 HD2 ARG 11 6.317 10.880 -1.334 86 HD3 ARG 11 HD1 ARG 11 4.847 10.604 -2.259 87 HE ARG 11 HE ARG 11 3.621 11.827 -0.571 88 HH11 ARG 11 HH11 ARG 11 7.116 12.040 -0.363 89 HH12 ARG 11 HH12 ARG 11 7.107 13.523 0.540 90 HH21 ARG 11 HH21 ARG 11 3.592 13.784 0.562 91 HH22 ARG 11 HH22 ARG 11 5.087 14.536 1.058 92 H ARG 12 HN ARG 12 2.209 8.778 1.918 93 HA ARG 12 HA ARG 12 4.215 8.921 3.878 94 HB2 ARG 12 HB2 ARG 12 1.223 9.182 4.018 95 HB3 ARG 12 HB1 ARG 12 2.230 9.327 5.447 96 HG2 ARG 12 HG2 ARG 12 3.500 11.116 4.140 97 HG3 ARG 12 HG1 ARG 12 2.118 11.103 3.042 98 HD2 ARG 12 HD2 ARG 12 1.820 12.842 4.695 99 HD3 ARG 12 HD1 ARG 12 0.629 11.569 4.958 100 HE ARG 12 HE ARG 12 2.510 10.781 6.652 101 HH11 ARG 12 HH11 ARG 12 1.163 13.974 6.124 102 HH12 ARG 12 HH12 ARG 12 1.580 14.545 7.711 103 HH21 ARG 12 HH21 ARG 12 3.041 11.507 8.734 104 HH22 ARG 12 HH22 ARG 12 2.643 13.144 9.201 105 H ALA 13 HN ALA 13 1.631 6.586 3.348 106 HA ALA 13 HA ALA 13 1.737 5.316 5.840 107 HB1 ALA 13 HB1 ALA 13 0.493 3.514 4.806 108 HB2 ALA 13 HB2 ALA 13 0.917 4.112 3.203 109 HB3 ALA 13 HB3 ALA 13 -0.123 5.072 4.257 110 H LEU 14 HN LEU 14 3.514 4.665 2.856 111 HA LEU 14 HA LEU 14 4.757 2.304 3.857 112 HB2 LEU 14 HB2 LEU 14 5.199 4.060 1.479 113 HB3 LEU 14 HB1 LEU 14 6.438 2.905 1.922 114 HG LEU 14 HG LEU 14 5.009 1.997 0.180 115 HD11 LEU 14 HD11 LEU 14 4.383 -0.108 1.235 116 HD12 LEU 14 HD12 LEU 14 4.528 0.639 2.826 117 HD13 LEU 14 HD13 LEU 14 5.955 0.451 1.809 118 HD21 LEU 14 HD21 LEU 14 2.977 3.258 0.651 119 HD22 LEU 14 HD22 LEU 14 2.743 2.343 2.140 120 HD23 LEU 14 HD23 LEU 14 2.644 1.526 0.580 121 H VAL 15 HN VAL 15 5.849 5.671 3.499 122 HA VAL 15 HA VAL 15 8.488 5.246 4.391 123 HB VAL 15 HB VAL 15 6.830 7.775 4.484 124 HG11 VAL 15 HG11 VAL 15 8.761 7.916 5.970 125 HG12 VAL 15 HG12 VAL 15 8.954 8.965 4.566 126 HG13 VAL 15 HG13 VAL 15 9.819 7.430 4.644 127 HG21 VAL 15 HG21 VAL 15 7.029 6.856 2.235 128 HG22 VAL 15 HG22 VAL 15 8.783 6.782 2.411 129 HG23 VAL 15 HG23 VAL 15 7.964 8.343 2.392 130 H GLU 16 HN GLU 16 5.648 6.506 6.144 131 HA GLU 16 HA GLU 16 7.030 6.811 8.600 132 HB2 GLU 16 HB2 GLU 16 4.081 6.697 7.972 133 HB3 GLU 16 HB1 GLU 16 4.723 7.059 9.569 134 HG2 GLU 16 HG2 GLU 16 5.825 9.029 8.729 135 HG3 GLU 16 HG1 GLU 16 5.327 8.645 7.084 136 H SER 17 HN SER 17 5.496 4.060 7.123 137 HA SER 17 HA SER 17 5.309 2.606 9.615 138 HB2 SER 17 HB2 SER 17 3.753 2.279 7.614 139 HB3 SER 17 HB1 SER 17 5.094 1.436 6.837 140 HG SER 17 HG SER 17 4.854 -0.210 8.159 141 H ALA 18 HN ALA 18 7.565 2.967 6.982 142 HA ALA 18 HA ALA 18 9.133 0.664 7.628 143 HB1 ALA 18 HB1 ALA 18 9.093 1.618 5.366 144 HB2 ALA 18 HB2 ALA 18 10.731 1.533 6.017 145 HB3 ALA 18 HB3 ALA 18 9.878 3.075 5.976 146 H GLY 19 HN GLY 19 9.891 4.153 7.844 147 HA2 GLY 19 HA2 GLY 19 10.588 4.992 10.064 148 HA3 GLY 19 HA1 GLY 19 11.506 3.505 10.236 149 H GLU 20 HN GLU 20 11.201 6.293 8.074 150 HA GLU 20 HA GLU 20 12.695 7.650 7.075 151 HB2 GLU 20 HB2 GLU 20 14.609 6.541 9.137 152 HB3 GLU 20 HB1 GLU 20 14.933 7.923 8.098 153 HG2 GLU 20 HG2 GLU 20 12.677 7.763 10.086 154 HG3 GLU 20 HG1 GLU 20 14.224 8.559 10.373 155 H THR 21 HN THR 21 12.583 6.574 5.119 156 HA THR 21 HA THR 21 14.455 4.428 4.543 157 HB THR 21 HB THR 21 12.720 5.777 2.507 158 HG1 THR 21 HG1 THR 21 11.449 3.686 3.599 159 HG21 THR 21 HG21 THR 21 12.603 3.536 1.565 160 HG22 THR 21 HG22 THR 21 13.520 2.897 2.927 161 HG23 THR 21 HG23 THR 21 14.284 4.014 1.795 162 H ASP 22 HN ASP 22 16.487 5.076 4.257 163 HA ASP 22 HA ASP 22 17.069 7.674 3.072 164 HB2 ASP 22 HB2 ASP 22 18.205 6.914 5.171 165 HB3 ASP 22 HB1 ASP 22 18.984 5.644 4.234 166 H GLY 23 HN GLY 23 17.233 7.773 0.934 167 HA2 GLY 23 HA2 GLY 23 18.479 7.404 -1.036 168 HA3 GLY 23 HA1 GLY 23 18.983 5.846 -0.401 169 H THR 24 HN THR 24 15.638 6.762 -0.280 170 HA THR 24 HA THR 24 15.027 5.163 -2.655 171 HB THR 24 HB THR 24 13.722 4.617 0.017 172 HG1 THR 24 HG1 THR 24 16.073 3.717 -1.025 173 HG21 THR 24 HG21 THR 24 12.846 2.615 -1.162 174 HG22 THR 24 HG22 THR 24 13.564 3.214 -2.658 175 HG23 THR 24 HG23 THR 24 12.277 4.127 -1.872 176 H ASP 25 HN ASP 25 14.069 6.777 -3.781 177 HA ASP 25 HA ASP 25 12.236 8.604 -2.470 178 HB2 ASP 25 HB2 ASP 25 13.745 9.452 -4.225 179 HB3 ASP 25 HB1 ASP 25 12.985 8.376 -5.396 180 H LEU 26 HN LEU 26 10.207 8.151 -2.163 181 HA LEU 26 HA LEU 26 8.781 6.520 -4.155 182 HB2 LEU 26 HB2 LEU 26 8.257 6.810 -1.192 183 HB3 LEU 26 HB1 LEU 26 7.199 5.963 -2.307 184 HG LEU 26 HG LEU 26 10.048 5.180 -1.664 185 HD11 LEU 26 HD11 LEU 26 9.016 3.280 -0.512 186 HD12 LEU 26 HD12 LEU 26 7.419 3.957 -0.832 187 HD13 LEU 26 HD13 LEU 26 8.550 4.817 0.214 188 HD21 LEU 26 HD21 LEU 26 9.537 3.147 -2.928 189 HD22 LEU 26 HD22 LEU 26 9.402 4.583 -3.945 190 HD23 LEU 26 HD23 LEU 26 7.948 3.795 -3.335 191 H SER 27 HN SER 27 9.314 9.409 -4.108 192 HA SER 27 HA SER 27 6.702 10.539 -3.448 193 HB2 SER 27 HB2 SER 27 8.933 11.605 -2.739 194 HB3 SER 27 HB1 SER 27 9.095 12.082 -4.428 195 HG SER 27 HG SER 27 7.182 13.262 -4.242 196 H GLY 28 HN GLY 28 8.740 9.689 -6.115 197 HA2 GLY 28 HA2 GLY 28 7.165 11.051 -8.099 198 HA3 GLY 28 HA1 GLY 28 8.406 9.843 -8.403 199 H ASP 29 HN ASP 29 6.786 9.162 -10.057 200 HA ASP 29 HA ASP 29 4.369 7.926 -9.092 201 HB2 ASP 29 HB2 ASP 29 5.630 7.683 -11.836 202 HB3 ASP 29 HB1 ASP 29 3.974 7.275 -11.402 203 H PHE 30 HN PHE 30 5.070 6.367 -7.624 204 HA PHE 30 HA PHE 30 7.011 4.389 -8.517 205 HB2 PHE 30 HB2 PHE 30 7.039 3.645 -6.182 206 HB3 PHE 30 HB1 PHE 30 7.298 5.382 -6.295 207 HD1 PHE 30 HD2 PHE 30 5.393 6.931 -5.749 208 HD2 PHE 30 HD1 PHE 30 5.236 2.753 -4.960 209 HE1 PHE 30 HE2 PHE 30 3.546 7.303 -4.166 210 HE2 PHE 30 HE1 PHE 30 3.387 3.116 -3.379 211 HZ PHE 30 HZ PHE 30 2.540 5.393 -2.976 212 H LEU 31 HN LEU 31 3.821 4.653 -8.939 213 HA LEU 31 HA LEU 31 2.674 2.329 -7.928 214 HB2 LEU 31 HB2 LEU 31 2.012 3.840 -10.442 215 HB3 LEU 31 HB1 LEU 31 1.025 2.549 -9.788 216 HG LEU 31 HG LEU 31 1.534 5.269 -8.614 217 HD11 LEU 31 HD11 LEU 31 -0.244 5.044 -10.277 218 HD12 LEU 31 HD12 LEU 31 -0.870 5.442 -8.676 219 HD13 LEU 31 HD13 LEU 31 -0.993 3.791 -9.285 220 HD21 LEU 31 HD21 LEU 31 0.279 4.586 -6.646 221 HD22 LEU 31 HD22 LEU 31 1.752 3.626 -6.815 222 HD23 LEU 31 HD23 LEU 31 0.192 2.935 -7.264 223 H ASP 32 HN ASP 32 4.886 2.654 -10.573 224 HA ASP 32 HA ASP 32 4.162 0.049 -11.669 225 HB2 ASP 32 HB2 ASP 32 6.071 2.201 -12.567 226 HB3 ASP 32 HB1 ASP 32 6.043 0.606 -13.315 227 H LEU 33 HN LEU 33 6.216 1.289 -9.344 228 HA LEU 33 HA LEU 33 8.312 -0.686 -9.710 229 HB2 LEU 33 HB2 LEU 33 7.904 1.351 -7.517 230 HB3 LEU 33 HB1 LEU 33 9.319 0.341 -7.716 231 HG LEU 33 HG LEU 33 8.407 2.440 -9.684 232 HD11 LEU 33 HD11 LEU 33 9.202 3.438 -7.613 233 HD12 LEU 33 HD12 LEU 33 10.351 3.709 -8.924 234 HD13 LEU 33 HD13 LEU 33 10.679 2.480 -7.703 235 HD21 LEU 33 HD21 LEU 33 9.588 0.612 -10.764 236 HD22 LEU 33 HD22 LEU 33 10.907 0.758 -9.604 237 HD23 LEU 33 HD23 LEU 33 10.581 2.069 -10.740 238 H ARG 34 HN ARG 34 8.020 -2.687 -9.028 239 HA ARG 34 HA ARG 34 5.796 -3.433 -7.418 240 HB2 ARG 34 HB2 ARG 34 8.216 -5.146 -7.947 241 HB3 ARG 34 HB1 ARG 34 6.574 -5.670 -7.617 242 HG2 ARG 34 HG2 ARG 34 5.868 -4.721 -9.781 243 HG3 ARG 34 HG1 ARG 34 7.554 -4.306 -10.113 244 HD2 ARG 34 HD2 ARG 34 6.361 -7.047 -9.747 245 HD3 ARG 34 HD1 ARG 34 7.124 -6.382 -11.190 246 HE ARG 34 HE ARG 34 9.227 -6.341 -9.816 247 HH11 ARG 34 HH11 ARG 34 6.609 -8.532 -8.981 248 HH12 ARG 34 HH12 ARG 34 7.676 -9.756 -8.361 249 HH21 ARG 34 HH21 ARG 34 10.620 -7.949 -8.991 250 HH22 ARG 34 HH22 ARG 34 9.957 -9.432 -8.361 251 H PHE 35 HN PHE 35 5.727 -4.237 -5.323 252 HA PHE 35 HA PHE 35 7.271 -3.030 -3.372 253 HB2 PHE 35 HB2 PHE 35 5.785 -5.660 -3.183 254 HB3 PHE 35 HB1 PHE 35 6.348 -4.713 -1.811 255 HD1 PHE 35 HD2 PHE 35 5.479 -2.266 -1.687 256 HD2 PHE 35 HD1 PHE 35 3.644 -5.340 -3.987 257 HE1 PHE 35 HE2 PHE 35 3.367 -0.997 -1.691 258 HE2 PHE 35 HE1 PHE 35 1.534 -4.077 -3.997 259 HZ PHE 35 HZ PHE 35 1.390 -1.913 -2.841 260 H GLU 36 HN GLU 36 7.652 -6.225 -4.821 261 HA GLU 36 HA GLU 36 9.760 -7.229 -3.349 262 HB2 GLU 36 HB2 GLU 36 9.102 -7.532 -6.275 263 HB3 GLU 36 HB1 GLU 36 10.337 -8.478 -5.462 264 HG2 GLU 36 HG2 GLU 36 7.447 -8.434 -4.634 265 HG3 GLU 36 HG1 GLU 36 8.143 -9.619 -5.740 266 H ASP 37 HN ASP 37 9.839 -4.868 -5.970 267 HA ASP 37 HA ASP 37 12.716 -5.091 -6.228 268 HB2 ASP 37 HB2 ASP 37 10.692 -3.328 -7.616 269 HB3 ASP 37 HB1 ASP 37 12.421 -3.257 -7.934 270 H ILE 38 HN ILE 38 10.393 -3.022 -4.662 271 HA ILE 38 HA ILE 38 12.443 -1.018 -4.135 272 HB ILE 38 HB ILE 38 10.596 0.265 -3.024 273 HG12 ILE 38 HG12 ILE 38 8.898 -1.942 -4.202 274 HG13 ILE 38 HG11 ILE 38 9.119 -1.608 -2.490 275 HG21 ILE 38 HG21 ILE 38 9.534 0.912 -5.151 276 HG22 ILE 38 HG22 ILE 38 10.232 -0.519 -5.912 277 HG23 ILE 38 HG23 ILE 38 11.284 0.754 -5.288 278 HD11 ILE 38 HD11 ILE 38 8.010 0.546 -2.772 279 HD12 ILE 38 HD12 ILE 38 6.981 -0.790 -3.282 280 HD13 ILE 38 HD13 ILE 38 7.793 0.207 -4.491 281 H GLY 39 HN GLY 39 12.152 -3.825 -2.878 282 HA2 GLY 39 HA2 GLY 39 13.296 -4.548 -0.994 283 HA3 GLY 39 HA1 GLY 39 13.307 -2.899 -0.396 284 H TYR 40 HN TYR 40 10.174 -3.526 -1.198 285 HA TYR 40 HA TYR 40 9.534 -4.018 1.590 286 HB2 TYR 40 HB2 TYR 40 7.885 -3.124 -0.762 287 HB3 TYR 40 HB1 TYR 40 7.136 -3.630 0.751 288 HD1 TYR 40 HD2 TYR 40 7.842 -2.433 2.885 289 HD2 TYR 40 HD1 TYR 40 8.705 -0.932 -1.001 290 HE1 TYR 40 HE2 TYR 40 8.219 -0.205 3.838 291 HE2 TYR 40 HE1 TYR 40 9.091 1.303 -0.057 292 HH TYR 40 HH TYR 40 8.434 2.593 1.949 293 H ASP 41 HN ASP 41 9.770 -6.081 2.078 294 HA ASP 41 HA ASP 41 8.952 -8.169 0.246 295 HB2 ASP 41 HB2 ASP 41 9.936 -9.706 1.789 296 HB3 ASP 41 HB1 ASP 41 11.014 -8.316 1.707 297 H SER 42 HN SER 42 7.834 -10.089 1.496 298 HA SER 42 HA SER 42 5.169 -9.491 1.780 299 HB2 SER 42 HB2 SER 42 5.037 -11.736 2.945 300 HB3 SER 42 HB1 SER 42 5.866 -11.748 1.384 301 H LEU 43 HN LEU 43 7.612 -9.820 4.357 302 HA LEU 43 HA LEU 43 5.769 -9.552 6.500 303 HB2 LEU 43 HB2 LEU 43 7.999 -10.566 6.738 304 HB3 LEU 43 HB1 LEU 43 8.738 -9.002 6.463 305 HG LEU 43 HG LEU 43 7.677 -8.157 8.530 306 HD11 LEU 43 HD11 LEU 43 6.797 -11.018 8.903 307 HD12 LEU 43 HD12 LEU 43 5.740 -9.647 8.571 308 HD13 LEU 43 HD13 LEU 43 6.639 -9.719 10.086 309 HD21 LEU 43 HD21 LEU 43 9.325 -10.657 8.879 310 HD22 LEU 43 HD22 LEU 43 9.083 -9.405 10.097 311 HD23 LEU 43 HD23 LEU 43 9.943 -9.029 8.603 312 H ALA 44 HN ALA 44 7.968 -7.223 4.932 313 HA ALA 44 HA ALA 44 7.258 -5.035 6.574 314 HB1 ALA 44 HB1 ALA 44 9.293 -5.084 5.186 315 HB2 ALA 44 HB2 ALA 44 8.328 -3.633 4.912 316 HB3 ALA 44 HB3 ALA 44 8.295 -4.950 3.737 317 H LEU 45 HN LEU 45 5.890 -6.361 3.639 318 HA LEU 45 HA LEU 45 4.160 -4.194 3.056 319 HB2 LEU 45 HB2 LEU 45 4.844 -5.931 1.431 320 HB3 LEU 45 HB1 LEU 45 3.896 -7.111 2.314 321 HG LEU 45 HG LEU 45 1.848 -5.827 1.792 322 HD11 LEU 45 HD11 LEU 45 3.685 -4.158 0.076 323 HD12 LEU 45 HD12 LEU 45 2.865 -3.618 1.542 324 HD13 LEU 45 HD13 LEU 45 1.925 -4.061 0.117 325 HD21 LEU 45 HD21 LEU 45 2.499 -7.693 0.393 326 HD22 LEU 45 HD22 LEU 45 3.513 -6.634 -0.586 327 HD23 LEU 45 HD23 LEU 45 1.761 -6.421 -0.583 328 H MET 46 HN MET 46 3.664 -7.270 4.789 329 HA MET 46 HA MET 46 0.899 -6.863 5.239 330 HB2 MET 46 HB2 MET 46 0.980 -8.762 6.695 331 HB3 MET 46 HB1 MET 46 2.038 -9.084 5.331 332 HG2 MET 46 HG2 MET 46 3.368 -9.813 7.006 333 HG3 MET 46 HG1 MET 46 3.864 -8.127 6.977 334 HE1 MET 46 HE1 MET 46 0.781 -9.763 9.998 335 HE2 MET 46 HE2 MET 46 1.598 -10.799 8.830 336 HE3 MET 46 HE3 MET 46 0.477 -9.556 8.271 337 H GLU 47 HN GLU 47 3.762 -5.941 7.046 338 HA GLU 47 HA GLU 47 2.526 -5.031 9.406 339 HB2 GLU 47 HB2 GLU 47 4.970 -4.022 7.932 340 HB3 GLU 47 HB1 GLU 47 4.520 -3.506 9.552 341 HG2 GLU 47 HG2 GLU 47 4.960 -6.396 8.910 342 HG3 GLU 47 HG1 GLU 47 6.313 -5.324 9.256 343 H THR 48 HN THR 48 3.230 -3.425 6.345 344 HA THR 48 HA THR 48 2.269 -0.876 7.057 345 HB THR 48 HB THR 48 2.504 -2.029 4.273 346 HG1 THR 48 HG1 THR 48 4.499 -2.267 5.244 347 HG21 THR 48 HG21 THR 48 2.884 0.298 3.617 348 HG22 THR 48 HG22 THR 48 2.641 0.811 5.287 349 HG23 THR 48 HG23 THR 48 1.308 0.098 4.378 350 H ALA 49 HN ALA 49 0.602 -3.757 6.162 351 HA ALA 49 HA ALA 49 -1.677 -2.755 4.899 352 HB1 ALA 49 HB1 ALA 49 -1.565 -5.101 6.790 353 HB2 ALA 49 HB2 ALA 49 -1.125 -5.158 5.085 354 HB3 ALA 49 HB3 ALA 49 -2.787 -4.799 5.555 355 H ALA 50 HN ALA 50 -0.903 -3.037 8.318 356 HA ALA 50 HA ALA 50 -3.452 -2.488 9.368 357 HB1 ALA 50 HB1 ALA 50 -0.778 -1.883 10.627 358 HB2 ALA 50 HB2 ALA 50 -1.571 -3.460 10.655 359 HB3 ALA 50 HB3 ALA 50 -2.320 -2.081 11.461 360 H ARG 51 HN ARG 51 -0.949 -0.478 8.106 361 HA ARG 51 HA ARG 51 -1.576 1.956 9.357 362 HB2 ARG 51 HB2 ARG 51 -0.355 1.522 6.625 363 HB3 ARG 51 HB1 ARG 51 -0.265 2.993 7.579 364 HG2 ARG 51 HG2 ARG 51 0.916 0.341 8.371 365 HG3 ARG 51 HG1 ARG 51 1.808 1.686 7.654 366 HD2 ARG 51 HD2 ARG 51 1.221 3.092 9.568 367 HD3 ARG 51 HD1 ARG 51 0.325 1.751 10.282 368 HE ARG 51 HE ARG 51 3.056 1.088 9.714 369 HH11 ARG 51 HH11 ARG 51 0.929 2.655 12.022 370 HH12 ARG 51 HH12 ARG 51 1.984 2.366 13.380 371 HH21 ARG 51 HH21 ARG 51 4.457 0.756 11.492 372 HH22 ARG 51 HH22 ARG 51 4.008 1.334 13.071 373 H LEU 52 HN LEU 52 -2.764 0.417 6.427 374 HA LEU 52 HA LEU 52 -4.256 2.759 5.621 375 HB2 LEU 52 HB2 LEU 52 -4.298 -0.029 4.473 376 HB3 LEU 52 HB1 LEU 52 -4.976 1.406 3.727 377 HG LEU 52 HG LEU 52 -2.042 0.928 4.255 378 HD11 LEU 52 HD11 LEU 52 -1.867 0.766 1.822 379 HD12 LEU 52 HD12 LEU 52 -3.622 0.903 1.689 380 HD13 LEU 52 HD13 LEU 52 -2.903 -0.497 2.484 381 HD21 LEU 52 HD21 LEU 52 -1.669 2.951 2.963 382 HD22 LEU 52 HD22 LEU 52 -2.663 3.302 4.379 383 HD23 LEU 52 HD23 LEU 52 -3.409 3.179 2.786 384 H GLU 53 HN GLU 53 -5.012 -0.495 6.819 385 HA GLU 53 HA GLU 53 -7.785 -0.348 6.629 386 HB2 GLU 53 HB2 GLU 53 -6.063 -1.859 8.589 387 HB3 GLU 53 HB1 GLU 53 -7.799 -2.086 8.438 388 HG2 GLU 53 HG2 GLU 53 -7.507 -2.763 6.110 389 HG3 GLU 53 HG1 GLU 53 -5.766 -2.552 6.275 390 H SER 54 HN SER 54 -5.757 0.365 9.477 391 HA SER 54 HA SER 54 -7.907 1.142 11.131 392 HB2 SER 54 HB2 SER 54 -5.774 0.505 12.094 393 HB3 SER 54 HB1 SER 54 -4.967 1.846 11.284 394 HG SER 54 HG SER 54 -5.711 3.200 12.739 395 H ARG 55 HN ARG 55 -5.946 2.890 8.828 396 HA ARG 55 HA ARG 55 -6.399 5.499 9.777 397 HB2 ARG 55 HB2 ARG 55 -4.667 4.564 8.071 398 HB3 ARG 55 HB1 ARG 55 -5.926 4.866 6.883 399 HG2 ARG 55 HG2 ARG 55 -5.937 7.215 7.435 400 HG3 ARG 55 HG1 ARG 55 -4.748 6.944 8.713 401 HD2 ARG 55 HD2 ARG 55 -3.194 6.056 6.990 402 HD3 ARG 55 HD1 ARG 55 -4.366 6.516 5.759 403 HE ARG 55 HE ARG 55 -3.612 8.690 7.482 404 HH11 ARG 55 HH11 ARG 55 -2.788 6.877 4.603 405 HH12 ARG 55 HH12 ARG 55 -1.837 8.144 3.910 406 HH21 ARG 55 HH21 ARG 55 -2.344 10.388 6.565 407 HH22 ARG 55 HH22 ARG 55 -1.613 10.146 5.011 408 H TYR 56 HN TYR 56 -7.977 3.682 7.138 409 HA TYR 56 HA TYR 56 -9.907 5.871 6.867 410 HB2 TYR 56 HB2 TYR 56 -9.513 3.461 5.083 411 HB3 TYR 56 HB1 TYR 56 -10.495 4.880 4.730 412 HD1 TYR 56 HD2 TYR 56 -9.416 7.049 4.267 413 HD2 TYR 56 HD1 TYR 56 -7.134 3.495 4.782 414 HE1 TYR 56 HE2 TYR 56 -7.489 8.139 3.206 415 HE2 TYR 56 HE1 TYR 56 -5.201 4.578 3.718 416 HH TYR 56 HH TYR 56 -4.663 6.385 2.271 417 H GLY 57 HN GLY 57 -9.653 2.799 8.276 418 HA2 GLY 57 HA2 GLY 57 -11.273 1.742 9.589 419 HA3 GLY 57 HA1 GLY 57 -12.495 2.798 8.892 420 H VAL 58 HN VAL 58 -10.191 0.876 7.085 421 HA VAL 58 HA VAL 58 -12.446 -0.586 5.891 422 HB VAL 58 HB VAL 58 -11.008 -0.999 3.949 423 HG11 VAL 58 HG11 VAL 58 -10.852 1.283 3.102 424 HG12 VAL 58 HG12 VAL 58 -11.089 1.905 4.736 425 HG13 VAL 58 HG13 VAL 58 -12.375 0.997 3.941 426 HG21 VAL 58 HG21 VAL 58 -8.822 0.082 3.742 427 HG22 VAL 58 HG22 VAL 58 -8.845 -1.057 5.086 428 HG23 VAL 58 HG23 VAL 58 -8.952 0.676 5.398 429 H SER 59 HN SER 59 -11.259 -2.698 4.759 430 HA SER 59 HA SER 59 -9.291 -3.924 6.462 431 HB2 SER 59 HB2 SER 59 -11.532 -4.409 7.567 432 HB3 SER 59 HB1 SER 59 -11.934 -5.352 6.132 433 HG SER 59 HG SER 59 -9.483 -5.910 7.302 434 H ILE 60 HN ILE 60 -8.085 -5.354 5.327 435 HA ILE 60 HA ILE 60 -8.751 -5.559 2.479 436 HB ILE 60 HB ILE 60 -6.133 -6.228 3.834 437 HG12 ILE 60 HG12 ILE 60 -6.936 -3.678 2.405 438 HG13 ILE 60 HG11 ILE 60 -6.783 -3.846 4.149 439 HG21 ILE 60 HG21 ILE 60 -6.841 -5.734 0.943 440 HG22 ILE 60 HG22 ILE 60 -6.414 -7.286 1.665 441 HG23 ILE 60 HG23 ILE 60 -5.212 -5.997 1.566 442 HD11 ILE 60 HD11 ILE 60 -4.408 -4.332 3.891 443 HD12 ILE 60 HD12 ILE 60 -4.837 -2.769 3.197 444 HD13 ILE 60 HD13 ILE 60 -4.565 -4.156 2.142 445 HA PRO 61 HA PRO 61 -10.171 -9.771 3.049 446 HB2 PRO 61 HB2 PRO 61 -9.395 -9.844 0.166 447 HB3 PRO 61 HB1 PRO 61 -10.894 -10.370 0.942 448 HG2 PRO 61 HG2 PRO 61 -10.819 -8.093 -0.421 449 HG3 PRO 61 HG1 PRO 61 -11.731 -8.216 1.095 450 HD2 PRO 61 HD2 PRO 61 -9.100 -6.907 0.570 451 HD3 PRO 61 HD1 PRO 61 -10.402 -6.426 1.676 452 H ASP 62 HN ASP 62 -9.114 -11.572 3.597 453 HA ASP 62 HA ASP 62 -6.384 -11.510 4.047 454 HB2 ASP 62 HB2 ASP 62 -7.975 -14.064 3.811 455 HB3 ASP 62 HB1 ASP 62 -6.579 -13.750 4.833 456 H ASP 63 HN ASP 63 -8.135 -13.321 1.544 457 HA ASP 63 HA ASP 63 -5.714 -14.486 0.530 458 HB2 ASP 63 HB2 ASP 63 -7.877 -15.685 0.518 459 HB3 ASP 63 HB1 ASP 63 -8.505 -14.513 -0.635 460 H VAL 64 HN VAL 64 -7.870 -11.882 -0.430 461 HA VAL 64 HA VAL 64 -6.741 -11.515 -3.025 462 HB VAL 64 HB VAL 64 -8.398 -9.560 -1.419 463 HG11 VAL 64 HG11 VAL 64 -7.880 -9.740 -4.387 464 HG12 VAL 64 HG12 VAL 64 -7.281 -8.493 -3.295 465 HG13 VAL 64 HG13 VAL 64 -9.010 -8.629 -3.613 466 HG21 VAL 64 HG21 VAL 64 -9.278 -11.652 -3.398 467 HG22 VAL 64 HG22 VAL 64 -10.322 -10.464 -2.618 468 HG23 VAL 64 HG23 VAL 64 -9.525 -11.709 -1.654 469 H ALA 65 HN ALA 65 -5.911 -10.451 0.146 470 HA ALA 65 HA ALA 65 -4.515 -8.087 -0.418 471 HB1 ALA 65 HB1 ALA 65 -5.134 -8.802 1.849 472 HB2 ALA 65 HB2 ALA 65 -3.420 -8.405 1.728 473 HB3 ALA 65 HB3 ALA 65 -3.935 -10.092 1.758 474 H GLY 66 HN GLY 66 -3.641 -11.406 -0.847 475 HA2 GLY 66 HA2 GLY 66 -0.849 -10.648 -1.387 476 HA3 GLY 66 HA1 GLY 66 -1.404 -12.271 -1.000 477 H ARG 67 HN ARG 67 -3.293 -10.409 -3.192 478 HA ARG 67 HA ARG 67 -2.489 -12.199 -5.356 479 HB2 ARG 67 HB2 ARG 67 -4.860 -12.129 -4.773 480 HB3 ARG 67 HB1 ARG 67 -4.887 -10.391 -5.028 481 HG2 ARG 67 HG2 ARG 67 -5.808 -11.189 -6.961 482 HG3 ARG 67 HG1 ARG 67 -4.122 -10.965 -7.414 483 HD2 ARG 67 HD2 ARG 67 -5.481 -13.552 -6.678 484 HD3 ARG 67 HD1 ARG 67 -4.922 -13.070 -8.277 485 HE ARG 67 HE ARG 67 -3.072 -13.539 -6.027 486 HH11 ARG 67 HH11 ARG 67 -3.963 -13.893 -9.389 487 HH12 ARG 67 HH12 ARG 67 -2.587 -14.881 -9.782 488 HH21 ARG 67 HH21 ARG 67 -1.248 -14.816 -6.540 489 HH22 ARG 67 HH22 ARG 67 -1.057 -15.417 -8.162 490 H VAL 68 HN VAL 68 -1.971 -9.047 -4.280 491 HA VAL 68 HA VAL 68 -1.788 -7.868 -6.937 492 HB VAL 68 HB VAL 68 -1.247 -5.762 -5.791 493 HG11 VAL 68 HG11 VAL 68 -3.580 -6.312 -6.194 494 HG12 VAL 68 HG12 VAL 68 -3.407 -5.431 -4.676 495 HG13 VAL 68 HG13 VAL 68 -3.656 -7.177 -4.660 496 HG21 VAL 68 HG21 VAL 68 -1.471 -7.399 -3.266 497 HG22 VAL 68 HG22 VAL 68 -1.369 -5.639 -3.326 498 HG23 VAL 68 HG23 VAL 68 -0.014 -6.621 -3.887 499 H ASP 69 HN ASP 69 0.201 -6.383 -7.250 500 HA ASP 69 HA ASP 69 2.665 -7.618 -6.283 501 HB2 ASP 69 HB2 ASP 69 2.255 -8.870 -8.299 502 HB3 ASP 69 HB1 ASP 69 1.906 -7.406 -9.206 503 H THR 70 HN THR 70 1.202 -5.120 -8.323 504 HA THR 70 HA THR 70 3.424 -3.330 -7.627 505 HB THR 70 HB THR 70 2.492 -1.859 -9.439 506 HG1 THR 70 HG1 THR 70 0.837 -4.153 -9.841 507 HG21 THR 70 HG21 THR 70 3.326 -4.653 -10.217 508 HG22 THR 70 HG22 THR 70 4.401 -3.301 -9.860 509 HG23 THR 70 HG23 THR 70 3.356 -3.246 -11.280 510 HA PRO 71 HA PRO 71 1.104 -0.829 -4.826 511 HB2 PRO 71 HB2 PRO 71 2.191 1.504 -6.314 512 HB3 PRO 71 HB1 PRO 71 2.279 1.124 -4.591 513 HG2 PRO 71 HG2 PRO 71 4.406 0.826 -6.166 514 HG3 PRO 71 HG1 PRO 71 4.057 -0.327 -4.864 515 HD2 PRO 71 HD2 PRO 71 3.656 -0.608 -7.807 516 HD3 PRO 71 HD1 PRO 71 4.164 -1.819 -6.613 517 H ARG 72 HN ARG 72 0.997 0.027 -8.251 518 HA ARG 72 HA ARG 72 -1.258 1.659 -8.220 519 HB2 ARG 72 HB2 ARG 72 0.086 1.451 -10.212 520 HB3 ARG 72 HB1 ARG 72 -0.297 -0.255 -10.347 521 HG2 ARG 72 HG2 ARG 72 -2.596 0.248 -10.856 522 HG3 ARG 72 HG1 ARG 72 -2.308 1.966 -10.580 523 HD2 ARG 72 HD2 ARG 72 -0.964 0.305 -12.700 524 HD3 ARG 72 HD1 ARG 72 -2.330 1.379 -12.976 525 HE ARG 72 HE ARG 72 -0.845 3.218 -12.215 526 HH11 ARG 72 HH11 ARG 72 0.613 0.299 -13.539 527 HH12 ARG 72 HH12 ARG 72 2.083 1.099 -14.008 528 HH21 ARG 72 HH21 ARG 72 1.071 4.254 -12.852 529 HH22 ARG 72 HH22 ARG 72 2.358 3.331 -13.594 530 H GLU 73 HN GLU 73 -1.036 -1.862 -8.522 531 HA GLU 73 HA GLU 73 -3.811 -2.336 -8.775 532 HB2 GLU 73 HB2 GLU 73 -1.662 -4.155 -7.677 533 HB3 GLU 73 HB1 GLU 73 -3.261 -4.661 -8.216 534 HG2 GLU 73 HG2 GLU 73 -2.752 -4.090 -10.474 535 HG3 GLU 73 HG1 GLU 73 -1.227 -3.339 -9.999 536 H LEU 74 HN LEU 74 -1.632 -2.250 -6.003 537 HA LEU 74 HA LEU 74 -3.441 -3.052 -4.013 538 HB2 LEU 74 HB2 LEU 74 -0.899 -2.748 -3.899 539 HB3 LEU 74 HB1 LEU 74 -1.219 -1.048 -3.641 540 HG LEU 74 HG LEU 74 -0.730 -2.403 -1.576 541 HD11 LEU 74 HD11 LEU 74 -1.825 -0.226 -1.450 542 HD12 LEU 74 HD12 LEU 74 -2.427 -1.325 -0.208 543 HD13 LEU 74 HD13 LEU 74 -3.396 -1.002 -1.647 544 HD21 LEU 74 HD21 LEU 74 -1.942 -4.421 -2.157 545 HD22 LEU 74 HD22 LEU 74 -3.468 -3.535 -2.140 546 HD23 LEU 74 HD23 LEU 74 -2.555 -3.747 -0.646 547 H LEU 75 HN LEU 75 -2.534 0.201 -5.123 548 HA LEU 75 HA LEU 75 -4.265 1.655 -3.472 549 HB2 LEU 75 HB2 LEU 75 -2.418 2.644 -4.774 550 HB3 LEU 75 HB1 LEU 75 -3.315 2.351 -6.251 551 HG LEU 75 HG LEU 75 -5.109 3.887 -5.388 552 HD11 LEU 75 HD11 LEU 75 -3.041 4.481 -3.278 553 HD12 LEU 75 HD12 LEU 75 -4.606 3.712 -3.018 554 HD13 LEU 75 HD13 LEU 75 -4.526 5.392 -3.552 555 HD21 LEU 75 HD21 LEU 75 -3.832 5.941 -5.838 556 HD22 LEU 75 HD22 LEU 75 -3.475 4.664 -6.999 557 HD23 LEU 75 HD23 LEU 75 -2.333 5.023 -5.704 558 H ASP 76 HN ASP 76 -4.715 0.549 -6.818 559 HA ASP 76 HA ASP 76 -7.242 1.723 -7.193 560 HB2 ASP 76 HB2 ASP 76 -5.644 0.838 -8.970 561 HB3 ASP 76 HB1 ASP 76 -6.269 -0.765 -8.598 562 H LEU 77 HN LEU 77 -6.293 -1.419 -5.918 563 HA LEU 77 HA LEU 77 -8.830 -2.641 -5.978 564 HB2 LEU 77 HB2 LEU 77 -6.589 -3.755 -5.600 565 HB3 LEU 77 HB1 LEU 77 -6.642 -3.150 -3.958 566 HG LEU 77 HG LEU 77 -7.309 -5.574 -4.307 567 HD11 LEU 77 HD11 LEU 77 -9.106 -5.514 -2.678 568 HD12 LEU 77 HD12 LEU 77 -9.345 -3.794 -2.980 569 HD13 LEU 77 HD13 LEU 77 -7.843 -4.359 -2.249 570 HD21 LEU 77 HD21 LEU 77 -9.783 -4.293 -5.448 571 HD22 LEU 77 HD22 LEU 77 -9.595 -6.002 -5.049 572 HD23 LEU 77 HD23 LEU 77 -8.619 -5.280 -6.330 573 H ILE 78 HN ILE 78 -7.134 -1.001 -3.302 574 HA ILE 78 HA ILE 78 -9.342 -1.145 -1.524 575 HB ILE 78 HB ILE 78 -6.980 0.746 -1.450 576 HG12 ILE 78 HG12 ILE 78 -7.411 -1.929 -0.094 577 HG13 ILE 78 HG11 ILE 78 -6.362 -1.653 -1.480 578 HG21 ILE 78 HG21 ILE 78 -8.844 1.494 -0.046 579 HG22 ILE 78 HG22 ILE 78 -7.484 0.954 0.934 580 HG23 ILE 78 HG23 ILE 78 -8.894 -0.086 0.735 581 HD11 ILE 78 HD11 ILE 78 -6.023 -0.485 1.276 582 HD12 ILE 78 HD12 ILE 78 -4.981 -0.158 -0.111 583 HD13 ILE 78 HD13 ILE 78 -5.073 -1.786 0.556 584 H ASN 79 HN ASN 79 -8.189 1.330 -3.753 585 HA ASN 79 HA ASN 79 -9.979 3.388 -3.027 586 HB2 ASN 79 HB2 ASN 79 -7.905 3.536 -4.513 587 HB3 ASN 79 HB1 ASN 79 -8.896 2.889 -5.810 588 HD21 ASN 79 HD21 ASN 79 -8.116 5.628 -3.892 589 HD22 ASN 79 HD22 ASN 79 -9.100 6.773 -4.734 590 H GLY 80 HN GLY 80 -10.179 0.787 -5.427 591 HA2 GLY 80 HA2 GLY 80 -12.714 1.483 -6.480 592 HA3 GLY 80 HA1 GLY 80 -11.930 -0.083 -6.613 593 H ALA 81 HN ALA 81 -11.729 -0.499 -3.748 594 HA ALA 81 HA ALA 81 -14.243 -1.715 -3.278 595 HB1 ALA 81 HB1 ALA 81 -12.048 -1.134 -1.281 596 HB2 ALA 81 HB2 ALA 81 -12.138 -2.565 -2.310 597 HB3 ALA 81 HB3 ALA 81 -13.370 -2.284 -1.079 598 H LEU 82 HN LEU 82 -12.734 1.257 -2.180 599 HA LEU 82 HA LEU 82 -14.801 2.034 -0.385 600 HB2 LEU 82 HB2 LEU 82 -12.636 3.594 -1.788 601 HB3 LEU 82 HB1 LEU 82 -13.714 4.299 -0.604 602 HG LEU 82 HG LEU 82 -11.793 2.034 -0.081 603 HD11 LEU 82 HD11 LEU 82 -10.647 4.153 -0.469 604 HD12 LEU 82 HD12 LEU 82 -10.541 3.665 1.222 605 HD13 LEU 82 HD13 LEU 82 -11.669 4.934 0.739 606 HD21 LEU 82 HD21 LEU 82 -12.374 2.375 2.259 607 HD22 LEU 82 HD22 LEU 82 -13.786 1.914 1.308 608 HD23 LEU 82 HD23 LEU 82 -13.560 3.596 1.795 609 H ALA 83 HN ALA 83 -14.187 2.509 -3.802 610 HA ALA 83 HA ALA 83 -16.094 4.543 -4.263 611 HB1 ALA 83 HB1 ALA 83 -14.998 2.491 -6.188 612 HB2 ALA 83 HB2 ALA 83 -14.292 4.069 -5.837 613 HB3 ALA 83 HB3 ALA 83 -15.865 3.963 -6.631 614 H GLU 84 HN GLU 84 -16.445 1.181 -3.680 615 HA GLU 84 HA GLU 84 -19.188 1.216 -4.743 616 HB2 GLU 84 HB2 GLU 84 -17.406 -1.123 -4.030 617 HB3 GLU 84 HB1 GLU 84 -19.069 -1.259 -4.582 618 HG2 GLU 84 HG2 GLU 84 -18.454 -0.229 -6.705 619 HG3 GLU 84 HG1 GLU 84 -16.784 -0.095 -6.155 620 H ALA 85 HN ALA 85 -17.943 2.143 -2.052 621 HA ALA 85 HA ALA 85 -19.833 0.676 -0.339 622 HB1 ALA 85 HB1 ALA 85 -18.284 0.859 1.516 623 HB2 ALA 85 HB2 ALA 85 -17.121 1.701 0.493 624 HB3 ALA 85 HB3 ALA 85 -17.523 0.015 0.168 625 H ALA 86 HN ALA 86 -20.548 1.885 1.562 626 HA ALA 86 HA ALA 86 -20.216 4.762 1.509 627 HB1 ALA 86 HB1 ALA 86 -22.069 4.408 -0.065 628 HB2 ALA 86 HB2 ALA 86 -22.596 5.253 1.389 629 HB3 ALA 86 HB3 ALA 86 -22.957 3.539 1.189 630 H28 SXO 87 H28B SXO 87 5.790 -12.674 5.138 631 H28A SXO 87 H28A SXO 87 6.822 -13.993 5.695 632 H30 SXO 87 H30A SXO 87 5.291 -14.054 7.668 633 H30A SXO 87 H30C SXO 87 4.274 -12.818 6.925 634 H30B SXO 87 H30B SXO 87 3.567 -14.350 7.437 635 H31 SXO 87 H31A SXO 87 2.659 -14.722 5.140 636 H31A SXO 87 H31B SXO 87 3.744 -14.659 3.753 637 H31B SXO 87 H31C SXO 87 3.350 -13.179 4.625 638 H32 SXO 87 H32A SXO 87 5.710 -16.152 6.579 639 HO33 SXO 87 H33A SXO 87 5.836 -15.687 3.986 640 HN36 SXO 87 H36A SXO 87 3.583 -16.063 7.863 641 H37 SXO 87 H37A SXO 87 1.287 -17.445 6.761 642 H37A SXO 87 H37B SXO 87 2.236 -18.375 7.907 643 H38 SXO 87 H38B SXO 87 1.947 -16.195 9.369 644 H38A SXO 87 H38A SXO 87 0.740 -17.478 9.344 645 HN41 SXO 87 H41A SXO 87 1.139 -15.508 6.620 646 H42 SXO 87 H42A SXO 87 -1.370 -14.775 6.048 647 H42A SXO 87 H42B SXO 87 -0.914 -13.576 7.258 648 H43 SXO 87 H43B SXO 87 0.944 -12.842 5.867 649 H43A SXO 87 H43A SXO 87 0.551 -14.085 4.666 650 H2 SXO 87 H2A SXO 87 -1.585 -10.492 2.897 651 H2A SXO 87 H2B SXO 87 -0.310 -10.690 1.696 652 H3 SXO 87 H3B SXO 87 -0.112 -8.911 4.119 653 H3A SXO 87 H3A SXO 87 1.043 -9.027 2.792 654 H4 SXO 87 H4A SXO 87 -1.819 -8.116 2.506 655 H4A SXO 87 H4B SXO 87 -0.587 -8.134 1.242 656 H5 SXO 87 H5B SXO 87 -0.463 -6.504 3.774 657 H5A SXO 87 H5A SXO 87 0.731 -6.507 2.477 658 H6 SXO 87 H6A SXO 87 -2.149 -5.641 2.210 659 H6A SXO 87 H6B SXO 87 -0.925 -5.602 0.937 660 H7 SXO 87 H7A SXO 87 0.389 -3.997 2.208 661 H7A SXO 87 H7B SXO 87 -0.776 -4.071 3.540 662 H8 SXO 87 H8C SXO 87 -1.122 -2.100 2.125 663 H8A SXO 87 H8A SXO 87 -2.507 -3.188 2.079 664 H8B SXO 87 H8B SXO 87 -1.369 -3.151 0.731 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -18.584 12.903 2.219 2 H2 MET 1 HT2 MET 1 -18.533 14.484 1.604 3 H3 MET 1 HT3 MET 1 -17.800 14.124 3.090 4 HA MET 1 HA MET 1 -16.967 13.048 0.470 5 HB2 MET 1 HB2 MET 1 -15.713 15.146 2.253 6 HB3 MET 1 HB1 MET 1 -14.913 14.418 0.868 7 HG2 MET 1 HG2 MET 1 -16.591 15.344 -0.617 8 HG3 MET 1 HG1 MET 1 -17.453 16.029 0.760 9 HE1 MET 1 HE1 MET 1 -14.166 16.174 -1.416 10 HE2 MET 1 HE2 MET 1 -13.564 15.812 0.201 11 HE3 MET 1 HE3 MET 1 -13.229 17.378 -0.535 12 H ALA 2 HN ALA 2 -15.639 11.344 0.557 13 HA ALA 2 HA ALA 2 -14.955 10.326 3.230 14 HB1 ALA 2 HB1 ALA 2 -15.042 8.893 0.572 15 HB2 ALA 2 HB2 ALA 2 -16.292 8.843 1.815 16 HB3 ALA 2 HB3 ALA 2 -14.703 8.148 2.137 17 H THR 3 HN THR 3 -12.851 9.632 3.706 18 HA THR 3 HA THR 3 -10.758 10.926 2.188 19 HB THR 3 HB THR 3 -9.274 9.932 3.976 20 HG1 THR 3 HG1 THR 3 -10.790 8.186 4.460 21 HG21 THR 3 HG21 THR 3 -10.058 11.433 5.742 22 HG22 THR 3 HG22 THR 3 -11.624 11.568 4.941 23 HG23 THR 3 HG23 THR 3 -10.178 12.208 4.161 24 H LEU 4 HN LEU 4 -10.324 9.920 0.319 25 HA LEU 4 HA LEU 4 -10.254 7.034 0.128 26 HB2 LEU 4 HB2 LEU 4 -9.569 9.147 -1.919 27 HB3 LEU 4 HB1 LEU 4 -9.683 7.426 -2.234 28 HG LEU 4 HG LEU 4 -11.953 9.249 -1.438 29 HD11 LEU 4 HD11 LEU 4 -11.349 7.789 -4.005 30 HD12 LEU 4 HD12 LEU 4 -11.240 9.531 -3.746 31 HD13 LEU 4 HD13 LEU 4 -12.807 8.722 -3.670 32 HD21 LEU 4 HD21 LEU 4 -13.395 7.305 -1.736 33 HD22 LEU 4 HD22 LEU 4 -12.214 7.015 -0.458 34 HD23 LEU 4 HD23 LEU 4 -11.982 6.295 -2.049 35 H LEU 5 HN LEU 5 -8.376 5.952 -0.835 36 HA LEU 5 HA LEU 5 -5.885 6.837 0.343 37 HB2 LEU 5 HB2 LEU 5 -6.275 4.508 0.479 38 HB3 LEU 5 HB1 LEU 5 -6.789 4.410 -1.191 39 HG LEU 5 HG LEU 5 -4.494 4.701 -1.953 40 HD11 LEU 5 HD11 LEU 5 -2.637 4.707 -0.353 41 HD12 LEU 5 HD12 LEU 5 -3.793 4.846 0.973 42 HD13 LEU 5 HD13 LEU 5 -3.645 6.144 -0.213 43 HD21 LEU 5 HD21 LEU 5 -4.803 2.584 0.170 44 HD22 LEU 5 HD22 LEU 5 -3.562 2.596 -1.083 45 HD23 LEU 5 HD23 LEU 5 -5.264 2.450 -1.525 46 H THR 6 HN THR 6 -4.549 8.198 -0.733 47 HA THR 6 HA THR 6 -4.758 8.220 -3.667 48 HB THR 6 HB THR 6 -3.968 10.525 -3.657 49 HG1 THR 6 HG1 THR 6 -4.146 10.420 -0.799 50 HG21 THR 6 HG21 THR 6 -5.921 11.604 -2.594 51 HG22 THR 6 HG22 THR 6 -6.310 10.072 -1.808 52 HG23 THR 6 HG23 THR 6 -6.365 10.203 -3.566 53 H THR 7 HN THR 7 -2.640 9.352 -4.561 54 HA THR 7 HA THR 7 -0.544 7.541 -4.403 55 HB THR 7 HB THR 7 0.762 9.574 -5.390 56 HG1 THR 7 HG1 THR 7 -0.642 11.239 -6.102 57 HG21 THR 7 HG21 THR 7 -1.712 8.469 -6.728 58 HG22 THR 7 HG22 THR 7 -0.101 7.753 -6.748 59 HG23 THR 7 HG23 THR 7 -0.390 9.294 -7.554 60 H ASP 8 HN ASP 8 -0.705 10.838 -3.057 61 HA ASP 8 HA ASP 8 1.760 10.639 -1.695 62 HB2 ASP 8 HB2 ASP 8 -0.545 12.559 -1.401 63 HB3 ASP 8 HB1 ASP 8 0.939 12.698 -0.462 64 H ASP 9 HN ASP 9 -1.494 9.778 -0.771 65 HA ASP 9 HA ASP 9 -1.035 9.494 2.000 66 HB2 ASP 9 HB2 ASP 9 -2.986 8.217 0.109 67 HB3 ASP 9 HB1 ASP 9 -2.898 7.712 1.792 68 H LEU 10 HN LEU 10 -0.959 7.073 -0.605 69 HA LEU 10 HA LEU 10 0.091 4.969 0.934 70 HB2 LEU 10 HB2 LEU 10 -0.921 4.821 -1.369 71 HB3 LEU 10 HB1 LEU 10 0.569 5.486 -2.008 72 HG LEU 10 HG LEU 10 1.773 3.505 -1.013 73 HD11 LEU 10 HD11 LEU 10 0.443 1.547 -0.437 74 HD12 LEU 10 HD12 LEU 10 -1.038 2.482 -0.642 75 HD13 LEU 10 HD13 LEU 10 0.094 2.894 0.646 76 HD21 LEU 10 HD21 LEU 10 1.125 1.987 -2.794 77 HD22 LEU 10 HD22 LEU 10 1.191 3.647 -3.388 78 HD23 LEU 10 HD23 LEU 10 -0.367 2.896 -3.046 79 H ARG 11 HN ARG 11 1.567 7.529 -0.923 80 HA ARG 11 HA ARG 11 4.266 6.968 -0.766 81 HB2 ARG 11 HB2 ARG 11 3.101 8.811 -2.007 82 HB3 ARG 11 HB1 ARG 11 2.930 9.665 -0.487 83 HG2 ARG 11 HG2 ARG 11 5.357 9.858 -0.315 84 HG3 ARG 11 HG1 ARG 11 5.532 8.983 -1.845 85 HD2 ARG 11 HD2 ARG 11 4.064 10.740 -2.886 86 HD3 ARG 11 HD1 ARG 11 4.198 11.645 -1.383 87 HE ARG 11 HE ARG 11 6.783 11.080 -2.260 88 HH11 ARG 11 HH11 ARG 11 3.984 12.961 -3.273 89 HH12 ARG 11 HH12 ARG 11 4.930 14.099 -4.191 90 HH21 ARG 11 HH21 ARG 11 8.020 12.621 -3.420 91 HH22 ARG 11 HH22 ARG 11 7.226 13.906 -4.280 92 H ARG 12 HN ARG 12 2.125 8.341 1.694 93 HA ARG 12 HA ARG 12 4.282 8.799 3.558 94 HB2 ARG 12 HB2 ARG 12 1.287 8.893 3.915 95 HB3 ARG 12 HB1 ARG 12 2.446 9.328 5.159 96 HG2 ARG 12 HG2 ARG 12 2.242 10.696 2.484 97 HG3 ARG 12 HG1 ARG 12 1.444 11.259 3.953 98 HD2 ARG 12 HD2 ARG 12 3.448 12.513 3.723 99 HD3 ARG 12 HD1 ARG 12 3.713 11.357 5.025 100 HE ARG 12 HE ARG 12 4.849 9.990 3.182 101 HH11 ARG 12 HH11 ARG 12 4.815 13.501 3.296 102 HH12 ARG 12 HH12 ARG 12 6.351 13.656 2.482 103 HH21 ARG 12 HH21 ARG 12 6.885 10.227 2.112 104 HH22 ARG 12 HH22 ARG 12 7.509 11.824 1.828 105 H ALA 13 HN ALA 13 1.740 6.372 3.100 106 HA ALA 13 HA ALA 13 1.881 5.180 5.623 107 HB1 ALA 13 HB1 ALA 13 1.048 3.909 3.025 108 HB2 ALA 13 HB2 ALA 13 0.011 4.848 4.099 109 HB3 ALA 13 HB3 ALA 13 0.678 3.307 4.640 110 H LEU 14 HN LEU 14 3.634 4.363 2.642 111 HA LEU 14 HA LEU 14 4.892 2.048 3.654 112 HB2 LEU 14 HB2 LEU 14 5.576 3.958 1.445 113 HB3 LEU 14 HB1 LEU 14 6.727 2.726 1.918 114 HG LEU 14 HG LEU 14 5.501 1.946 0.011 115 HD11 LEU 14 HD11 LEU 14 6.060 0.272 1.670 116 HD12 LEU 14 HD12 LEU 14 4.525 -0.116 0.888 117 HD13 LEU 14 HD13 LEU 14 4.542 0.576 2.511 118 HD21 LEU 14 HD21 LEU 14 2.995 2.395 1.619 119 HD22 LEU 14 HD22 LEU 14 3.086 1.660 0.019 120 HD23 LEU 14 HD23 LEU 14 3.521 3.356 0.236 121 H VAL 15 HN VAL 15 5.719 5.452 3.815 122 HA VAL 15 HA VAL 15 8.317 5.110 4.905 123 HB VAL 15 HB VAL 15 6.482 7.512 5.074 124 HG11 VAL 15 HG11 VAL 15 9.451 7.264 5.540 125 HG12 VAL 15 HG12 VAL 15 8.224 7.636 6.751 126 HG13 VAL 15 HG13 VAL 15 8.561 8.784 5.454 127 HG21 VAL 15 HG21 VAL 15 6.919 6.907 2.775 128 HG22 VAL 15 HG22 VAL 15 8.647 6.798 3.102 129 HG23 VAL 15 HG23 VAL 15 7.832 8.359 3.183 130 H GLU 16 HN GLU 16 5.093 5.440 6.284 131 HA GLU 16 HA GLU 16 5.766 5.936 8.944 132 HB2 GLU 16 HB2 GLU 16 3.469 4.253 7.931 133 HB3 GLU 16 HB1 GLU 16 3.600 4.955 9.534 134 HG2 GLU 16 HG2 GLU 16 3.592 7.209 8.476 135 HG3 GLU 16 HG1 GLU 16 3.276 6.419 6.930 136 H SER 17 HN SER 17 5.491 2.887 7.196 137 HA SER 17 HA SER 17 5.981 1.319 9.559 138 HB2 SER 17 HB2 SER 17 5.866 0.444 6.665 139 HB3 SER 17 HB1 SER 17 5.753 -0.599 8.083 140 HG SER 17 HG SER 17 3.842 1.001 6.903 141 H ALA 18 HN ALA 18 7.861 2.568 6.895 142 HA ALA 18 HA ALA 18 10.056 0.732 7.320 143 HB1 ALA 18 HB1 ALA 18 11.146 1.918 5.507 144 HB2 ALA 18 HB2 ALA 18 9.898 3.164 5.550 145 HB3 ALA 18 HB3 ALA 18 9.484 1.519 5.070 146 H GLY 19 HN GLY 19 9.535 4.252 7.739 147 HA2 GLY 19 HA2 GLY 19 10.678 5.783 9.042 148 HA3 GLY 19 HA1 GLY 19 11.328 4.419 9.944 149 H GLU 20 HN GLU 20 11.767 4.572 6.527 150 HA GLU 20 HA GLU 20 14.635 4.706 6.892 151 HB2 GLU 20 HB2 GLU 20 13.697 3.038 5.371 152 HB3 GLU 20 HB1 GLU 20 12.936 4.301 4.419 153 HG2 GLU 20 HG2 GLU 20 14.939 3.421 3.344 154 HG3 GLU 20 HG1 GLU 20 15.101 5.132 3.737 155 H THR 21 HN THR 21 15.960 6.321 6.160 156 HA THR 21 HA THR 21 14.661 8.705 5.024 157 HB THR 21 HB THR 21 16.771 8.894 7.181 158 HG1 THR 21 HG1 THR 21 14.113 8.278 7.369 159 HG21 THR 21 HG21 THR 21 16.474 10.885 5.760 160 HG22 THR 21 HG22 THR 21 15.928 11.182 7.411 161 HG23 THR 21 HG23 THR 21 14.752 10.886 6.130 162 H ASP 22 HN ASP 22 16.832 6.375 4.487 163 HA ASP 22 HA ASP 22 18.773 8.153 3.183 164 HB2 ASP 22 HB2 ASP 22 19.665 6.373 4.703 165 HB3 ASP 22 HB1 ASP 22 18.978 5.167 3.616 166 H GLY 23 HN GLY 23 17.170 5.048 2.522 167 HA2 GLY 23 HA2 GLY 23 17.175 5.714 -0.339 168 HA3 GLY 23 HA1 GLY 23 16.974 4.107 0.341 169 H THR 24 HN THR 24 15.072 3.505 -0.481 170 HA THR 24 HA THR 24 12.881 3.472 -1.052 171 HB THR 24 HB THR 24 11.289 4.124 0.763 172 HG1 THR 24 HG1 THR 24 13.220 5.664 1.579 173 HG21 THR 24 HG21 THR 24 12.316 1.888 0.647 174 HG22 THR 24 HG22 THR 24 11.981 2.388 2.304 175 HG23 THR 24 HG23 THR 24 13.629 2.458 1.679 176 H ASP 25 HN ASP 25 13.634 5.173 -2.673 177 HA ASP 25 HA ASP 25 12.718 7.843 -2.255 178 HB2 ASP 25 HB2 ASP 25 14.556 7.531 -3.763 179 HB3 ASP 25 HB1 ASP 25 13.634 6.406 -4.754 180 H LEU 26 HN LEU 26 10.571 7.591 -1.646 181 HA LEU 26 HA LEU 26 8.733 6.815 -3.773 182 HB2 LEU 26 HB2 LEU 26 8.352 7.373 -0.845 183 HB3 LEU 26 HB1 LEU 26 6.990 7.395 -1.945 184 HG LEU 26 HG LEU 26 7.655 5.016 -2.586 185 HD11 LEU 26 HD11 LEU 26 9.261 5.262 -0.049 186 HD12 LEU 26 HD12 LEU 26 9.913 5.036 -1.672 187 HD13 LEU 26 HD13 LEU 26 8.935 3.770 -0.930 188 HD21 LEU 26 HD21 LEU 26 6.728 5.578 0.228 189 HD22 LEU 26 HD22 LEU 26 6.504 4.065 -0.650 190 HD23 LEU 26 HD23 LEU 26 5.715 5.538 -1.215 191 H SER 27 HN SER 27 9.819 8.736 -4.831 192 HA SER 27 HA SER 27 8.213 11.129 -4.237 193 HB2 SER 27 HB2 SER 27 10.709 11.288 -3.710 194 HB3 SER 27 HB1 SER 27 10.977 11.198 -5.450 195 HG SER 27 HG SER 27 10.548 13.232 -5.532 196 H GLY 28 HN GLY 28 10.008 9.394 -6.782 197 HA2 GLY 28 HA2 GLY 28 8.510 10.743 -8.862 198 HA3 GLY 28 HA1 GLY 28 9.747 9.518 -9.094 199 H ASP 29 HN ASP 29 8.701 8.156 -10.451 200 HA ASP 29 HA ASP 29 5.973 7.374 -9.881 201 HB2 ASP 29 HB2 ASP 29 6.215 5.966 -11.957 202 HB3 ASP 29 HB1 ASP 29 6.397 7.698 -12.189 203 H PHE 30 HN PHE 30 6.172 6.314 -7.935 204 HA PHE 30 HA PHE 30 7.809 3.912 -7.811 205 HB2 PHE 30 HB2 PHE 30 6.973 3.826 -5.422 206 HB3 PHE 30 HB1 PHE 30 7.925 5.244 -5.843 207 HD1 PHE 30 HD1 PHE 30 4.479 4.029 -5.238 208 HD2 PHE 30 HD2 PHE 30 7.030 7.412 -5.655 209 HE1 PHE 30 HE1 PHE 30 2.678 5.487 -4.411 210 HE2 PHE 30 HE2 PHE 30 5.232 8.871 -4.827 211 HZ PHE 30 HZ PHE 30 3.057 7.909 -4.200 212 H LEU 31 HN LEU 31 4.516 4.807 -8.302 213 HA LEU 31 HA LEU 31 3.158 2.560 -7.382 214 HB2 LEU 31 HB2 LEU 31 2.549 4.406 -9.674 215 HB3 LEU 31 HB1 LEU 31 1.447 3.152 -9.133 216 HG LEU 31 HG LEU 31 2.388 5.521 -7.511 217 HD11 LEU 31 HD11 LEU 31 0.767 6.136 -9.196 218 HD12 LEU 31 HD12 LEU 31 0.022 6.172 -7.599 219 HD13 LEU 31 HD13 LEU 31 -0.296 4.822 -8.685 220 HD21 LEU 31 HD21 LEU 31 0.528 3.263 -6.776 221 HD22 LEU 31 HD22 LEU 31 0.774 4.731 -5.830 222 HD23 LEU 31 HD23 LEU 31 2.106 3.601 -6.064 223 H ASP 32 HN ASP 32 5.117 2.929 -10.210 224 HA ASP 32 HA ASP 32 3.973 0.564 -11.476 225 HB2 ASP 32 HB2 ASP 32 6.134 2.419 -12.495 226 HB3 ASP 32 HB1 ASP 32 5.288 1.187 -13.425 227 H LEU 33 HN LEU 33 6.352 1.255 -9.277 228 HA LEU 33 HA LEU 33 8.175 -0.846 -10.154 229 HB2 LEU 33 HB2 LEU 33 8.254 0.931 -7.710 230 HB3 LEU 33 HB1 LEU 33 9.508 -0.201 -8.186 231 HG LEU 33 HG LEU 33 8.660 2.219 -9.783 232 HD11 LEU 33 HD11 LEU 33 11.153 1.746 -8.156 233 HD12 LEU 33 HD12 LEU 33 9.805 2.778 -7.680 234 HD13 LEU 33 HD13 LEU 33 10.769 3.185 -9.100 235 HD21 LEU 33 HD21 LEU 33 10.570 1.723 -11.178 236 HD22 LEU 33 HD22 LEU 33 9.493 0.326 -11.131 237 HD23 LEU 33 HD23 LEU 33 10.976 0.328 -10.177 238 H ARG 34 HN ARG 34 8.113 -2.876 -9.367 239 HA ARG 34 HA ARG 34 5.803 -3.686 -7.907 240 HB2 ARG 34 HB2 ARG 34 8.254 -5.337 -8.551 241 HB3 ARG 34 HB1 ARG 34 6.644 -5.936 -8.177 242 HG2 ARG 34 HG2 ARG 34 5.823 -4.785 -10.235 243 HG3 ARG 34 HG1 ARG 34 7.504 -4.420 -10.627 244 HD2 ARG 34 HD2 ARG 34 6.280 -7.153 -10.306 245 HD3 ARG 34 HD1 ARG 34 6.785 -6.398 -11.816 246 HE ARG 34 HE ARG 34 9.090 -6.527 -10.978 247 HH11 ARG 34 HH11 ARG 34 6.639 -8.518 -9.484 248 HH12 ARG 34 HH12 ARG 34 7.766 -9.685 -8.854 249 HH21 ARG 34 HH21 ARG 34 10.604 -8.085 -10.208 250 HH22 ARG 34 HH22 ARG 34 10.026 -9.452 -9.301 251 H PHE 35 HN PHE 35 5.757 -4.836 -5.875 252 HA PHE 35 HA PHE 35 6.966 -3.452 -3.797 253 HB2 PHE 35 HB2 PHE 35 5.738 -6.206 -3.830 254 HB3 PHE 35 HB1 PHE 35 6.247 -5.397 -2.354 255 HD1 PHE 35 HD2 PHE 35 5.354 -2.785 -2.392 256 HD2 PHE 35 HD1 PHE 35 3.486 -6.157 -4.186 257 HE1 PHE 35 HE2 PHE 35 3.182 -1.639 -2.272 258 HE2 PHE 35 HE1 PHE 35 1.310 -5.017 -4.070 259 HZ PHE 35 HZ PHE 35 1.154 -2.755 -3.111 260 H GLU 36 HN GLU 36 7.856 -6.713 -4.958 261 HA GLU 36 HA GLU 36 10.086 -7.005 -3.273 262 HB2 GLU 36 HB2 GLU 36 10.797 -8.796 -4.790 263 HB3 GLU 36 HB1 GLU 36 9.084 -8.911 -4.406 264 HG2 GLU 36 HG2 GLU 36 8.501 -7.978 -6.550 265 HG3 GLU 36 HG1 GLU 36 10.203 -7.712 -6.927 266 H ASP 37 HN ASP 37 9.625 -5.096 -6.056 267 HA ASP 37 HA ASP 37 12.393 -5.020 -6.883 268 HB2 ASP 37 HB2 ASP 37 10.611 -4.866 -8.548 269 HB3 ASP 37 HB1 ASP 37 9.962 -3.438 -7.755 270 H ILE 38 HN ILE 38 10.132 -3.028 -5.070 271 HA ILE 38 HA ILE 38 12.127 -0.950 -4.697 272 HB ILE 38 HB ILE 38 10.344 0.089 -3.205 273 HG12 ILE 38 HG12 ILE 38 8.699 -2.117 -4.464 274 HG13 ILE 38 HG11 ILE 38 9.031 -1.911 -2.748 275 HG21 ILE 38 HG21 ILE 38 10.789 0.848 -5.468 276 HG22 ILE 38 HG22 ILE 38 9.060 0.909 -5.118 277 HG23 ILE 38 HG23 ILE 38 9.714 -0.396 -6.109 278 HD11 ILE 38 HD11 ILE 38 7.754 0.174 -2.763 279 HD12 ILE 38 HD12 ILE 38 6.781 -1.197 -3.294 280 HD13 ILE 38 HD13 ILE 38 7.414 -0.054 -4.478 281 H GLY 39 HN GLY 39 11.809 -3.880 -3.433 282 HA2 GLY 39 HA2 GLY 39 12.959 -4.844 -1.692 283 HA3 GLY 39 HA1 GLY 39 13.564 -3.249 -1.281 284 H TYR 40 HN TYR 40 10.196 -4.411 -1.379 285 HA TYR 40 HA TYR 40 10.083 -3.850 1.504 286 HB2 TYR 40 HB2 TYR 40 8.074 -3.470 -0.668 287 HB3 TYR 40 HB1 TYR 40 7.499 -3.825 0.962 288 HD1 TYR 40 HD2 TYR 40 7.838 -2.249 2.774 289 HD2 TYR 40 HD1 TYR 40 9.187 -1.353 -1.160 290 HE1 TYR 40 HE2 TYR 40 8.129 0.104 3.415 291 HE2 TYR 40 HE1 TYR 40 9.487 1.001 -0.526 292 HH TYR 40 HH TYR 40 8.626 2.574 1.149 293 H ASP 41 HN ASP 41 9.917 -5.482 2.809 294 HA ASP 41 HA ASP 41 9.618 -8.153 1.816 295 HB2 ASP 41 HB2 ASP 41 9.785 -7.137 4.661 296 HB3 ASP 41 HB1 ASP 41 9.900 -8.823 4.175 297 H SER 42 HN SER 42 8.120 -9.703 2.736 298 HA SER 42 HA SER 42 5.429 -9.155 2.550 299 HB2 SER 42 HB2 SER 42 5.192 -11.280 3.963 300 HB3 SER 42 HB1 SER 42 6.194 -11.425 2.512 301 H LEU 43 HN LEU 43 7.391 -9.404 5.472 302 HA LEU 43 HA LEU 43 5.508 -8.821 7.405 303 HB2 LEU 43 HB2 LEU 43 7.794 -9.610 7.844 304 HB3 LEU 43 HB1 LEU 43 8.429 -8.049 7.362 305 HG LEU 43 HG LEU 43 7.226 -7.010 9.270 306 HD11 LEU 43 HD11 LEU 43 6.346 -8.464 11.035 307 HD12 LEU 43 HD12 LEU 43 6.613 -9.869 10.000 308 HD13 LEU 43 HD13 LEU 43 5.444 -8.634 9.531 309 HD21 LEU 43 HD21 LEU 43 9.571 -7.637 9.465 310 HD22 LEU 43 HD22 LEU 43 9.104 -9.257 9.980 311 HD23 LEU 43 HD23 LEU 43 8.731 -7.869 10.999 312 H ALA 44 HN ALA 44 7.688 -6.522 5.763 313 HA ALA 44 HA ALA 44 6.707 -4.229 7.061 314 HB1 ALA 44 HB1 ALA 44 7.893 -2.971 5.349 315 HB2 ALA 44 HB2 ALA 44 8.052 -4.430 4.369 316 HB3 ALA 44 HB3 ALA 44 8.877 -4.318 5.923 317 H LEU 45 HN LEU 45 5.718 -5.885 4.127 318 HA LEU 45 HA LEU 45 4.024 -3.828 3.160 319 HB2 LEU 45 HB2 LEU 45 4.965 -5.617 1.751 320 HB3 LEU 45 HB1 LEU 45 3.978 -6.793 2.594 321 HG LEU 45 HG LEU 45 1.949 -5.805 1.691 322 HD11 LEU 45 HD11 LEU 45 2.043 -3.989 0.064 323 HD12 LEU 45 HD12 LEU 45 3.782 -3.841 0.319 324 HD13 LEU 45 HD13 LEU 45 2.663 -3.473 1.633 325 HD21 LEU 45 HD21 LEU 45 4.045 -6.257 -0.435 326 HD22 LEU 45 HD22 LEU 45 2.298 -6.333 -0.671 327 HD23 LEU 45 HD23 LEU 45 3.098 -7.507 0.372 328 H MET 46 HN MET 46 3.465 -6.675 5.222 329 HA MET 46 HA MET 46 0.638 -6.329 5.299 330 HB2 MET 46 HB2 MET 46 0.547 -8.094 6.794 331 HB3 MET 46 HB1 MET 46 2.048 -8.431 5.947 332 HG2 MET 46 HG2 MET 46 3.335 -7.564 7.779 333 HG3 MET 46 HG1 MET 46 1.872 -7.032 8.607 334 HE1 MET 46 HE1 MET 46 3.887 -8.638 10.239 335 HE2 MET 46 HE2 MET 46 2.892 -9.892 10.982 336 HE3 MET 46 HE3 MET 46 2.281 -8.243 10.850 337 H GLU 47 HN GLU 47 3.300 -5.133 7.274 338 HA GLU 47 HA GLU 47 1.742 -3.955 9.297 339 HB2 GLU 47 HB2 GLU 47 4.452 -3.197 8.207 340 HB3 GLU 47 HB1 GLU 47 3.745 -2.487 9.650 341 HG2 GLU 47 HG2 GLU 47 4.290 -5.425 9.301 342 HG3 GLU 47 HG1 GLU 47 5.385 -4.296 10.091 343 H THR 48 HN THR 48 2.888 -2.770 6.182 344 HA THR 48 HA THR 48 1.862 -0.165 6.316 345 HB THR 48 HB THR 48 2.145 -1.900 3.848 346 HG1 THR 48 HG1 THR 48 4.139 -1.812 4.890 347 HG21 THR 48 HG21 THR 48 2.171 1.100 4.194 348 HG22 THR 48 HG22 THR 48 0.868 0.156 3.474 349 HG23 THR 48 HG23 THR 48 2.442 0.236 2.681 350 H ALA 49 HN ALA 49 0.434 -3.190 5.134 351 HA ALA 49 HA ALA 49 -2.021 -2.218 4.245 352 HB1 ALA 49 HB1 ALA 49 -1.440 -4.874 5.559 353 HB2 ALA 49 HB2 ALA 49 -1.263 -4.505 3.842 354 HB3 ALA 49 HB3 ALA 49 -2.861 -4.489 4.588 355 H ALA 50 HN ALA 50 -1.022 -3.227 7.485 356 HA ALA 50 HA ALA 50 -3.526 -2.997 8.747 357 HB1 ALA 50 HB1 ALA 50 -0.764 -2.684 9.927 358 HB2 ALA 50 HB2 ALA 50 -1.651 -4.198 9.743 359 HB3 ALA 50 HB3 ALA 50 -2.251 -2.955 10.838 360 H ARG 51 HN ARG 51 -0.957 -0.694 8.107 361 HA ARG 51 HA ARG 51 -1.901 1.494 9.587 362 HB2 ARG 51 HB2 ARG 51 -0.462 1.490 6.921 363 HB3 ARG 51 HB1 ARG 51 -0.637 2.876 7.977 364 HG2 ARG 51 HG2 ARG 51 0.812 0.342 8.691 365 HG3 ARG 51 HG1 ARG 51 1.579 1.823 8.121 366 HD2 ARG 51 HD2 ARG 51 -0.139 1.685 10.587 367 HD3 ARG 51 HD1 ARG 51 1.609 1.464 10.610 368 HE ARG 51 HE ARG 51 0.615 3.925 9.396 369 HH11 ARG 51 HH11 ARG 51 2.038 2.334 12.170 370 HH12 ARG 51 HH12 ARG 51 2.545 3.810 12.930 371 HH21 ARG 51 HH21 ARG 51 1.287 5.883 10.382 372 HH22 ARG 51 HH22 ARG 51 2.123 5.829 11.912 373 H LEU 52 HN LEU 52 -2.581 0.447 6.272 374 HA LEU 52 HA LEU 52 -4.283 2.591 5.578 375 HB2 LEU 52 HB2 LEU 52 -4.240 -0.213 4.457 376 HB3 LEU 52 HB1 LEU 52 -4.981 1.183 3.700 377 HG LEU 52 HG LEU 52 -2.026 0.885 4.237 378 HD11 LEU 52 HD11 LEU 52 -3.568 0.612 1.663 379 HD12 LEU 52 HD12 LEU 52 -2.798 -0.701 2.556 380 HD13 LEU 52 HD13 LEU 52 -1.813 0.571 1.834 381 HD21 LEU 52 HD21 LEU 52 -2.755 3.199 4.234 382 HD22 LEU 52 HD22 LEU 52 -3.581 2.955 2.695 383 HD23 LEU 52 HD23 LEU 52 -1.823 2.848 2.778 384 H GLU 53 HN GLU 53 -4.959 -0.671 6.803 385 HA GLU 53 HA GLU 53 -7.724 -0.655 6.578 386 HB2 GLU 53 HB2 GLU 53 -5.948 -2.000 8.610 387 HB3 GLU 53 HB1 GLU 53 -7.678 -2.296 8.507 388 HG2 GLU 53 HG2 GLU 53 -7.405 -3.135 6.236 389 HG3 GLU 53 HG1 GLU 53 -5.674 -2.811 6.319 390 H SER 54 HN SER 54 -5.871 0.083 9.543 391 HA SER 54 HA SER 54 -8.178 0.920 10.958 392 HB2 SER 54 HB2 SER 54 -6.197 0.067 12.117 393 HB3 SER 54 HB1 SER 54 -5.262 1.453 11.563 394 HG SER 54 HG SER 54 -7.187 2.618 12.675 395 H ARG 55 HN ARG 55 -6.113 2.558 8.717 396 HA ARG 55 HA ARG 55 -6.605 5.188 9.755 397 HB2 ARG 55 HB2 ARG 55 -4.557 4.602 8.438 398 HB3 ARG 55 HB1 ARG 55 -5.580 4.437 7.013 399 HG2 ARG 55 HG2 ARG 55 -6.216 6.766 7.169 400 HG3 ARG 55 HG1 ARG 55 -5.244 6.957 8.629 401 HD2 ARG 55 HD2 ARG 55 -3.229 6.402 7.326 402 HD3 ARG 55 HD1 ARG 55 -4.224 6.244 5.876 403 HE ARG 55 HE ARG 55 -4.238 8.792 7.339 404 HH11 ARG 55 HH11 ARG 55 -3.196 6.965 4.544 405 HH12 ARG 55 HH12 ARG 55 -2.992 8.368 3.546 406 HH21 ARG 55 HH21 ARG 55 -3.980 10.644 5.996 407 HH22 ARG 55 HH22 ARG 55 -3.464 10.440 4.343 408 H TYR 56 HN TYR 56 -7.827 3.301 7.014 409 HA TYR 56 HA TYR 56 -9.654 5.480 6.350 410 HB2 TYR 56 HB2 TYR 56 -9.002 2.923 4.876 411 HB3 TYR 56 HB1 TYR 56 -10.126 4.156 4.302 412 HD1 TYR 56 HD2 TYR 56 -9.200 6.523 3.948 413 HD2 TYR 56 HD1 TYR 56 -6.734 3.089 4.407 414 HE1 TYR 56 HE2 TYR 56 -7.333 7.730 2.898 415 HE2 TYR 56 HE1 TYR 56 -4.863 4.282 3.360 416 HH TYR 56 HH TYR 56 -4.371 6.115 2.025 417 H GLY 57 HN GLY 57 -9.656 2.562 8.071 418 HA2 GLY 57 HA2 GLY 57 -11.430 1.654 9.279 419 HA3 GLY 57 HA1 GLY 57 -12.535 2.713 8.413 420 H VAL 58 HN VAL 58 -10.185 0.311 7.325 421 HA VAL 58 HA VAL 58 -12.360 -1.139 5.968 422 HB VAL 58 HB VAL 58 -10.930 -1.544 4.031 423 HG11 VAL 58 HG11 VAL 58 -11.177 1.381 4.691 424 HG12 VAL 58 HG12 VAL 58 -12.388 0.367 3.906 425 HG13 VAL 58 HG13 VAL 58 -10.869 0.725 3.083 426 HG21 VAL 58 HG21 VAL 58 -8.749 -1.460 5.105 427 HG22 VAL 58 HG22 VAL 58 -8.933 0.271 5.386 428 HG23 VAL 58 HG23 VAL 58 -8.800 -0.344 3.738 429 H SER 59 HN SER 59 -11.027 -3.210 4.909 430 HA SER 59 HA SER 59 -8.973 -4.229 6.620 431 HB2 SER 59 HB2 SER 59 -11.105 -4.800 7.856 432 HB3 SER 59 HB1 SER 59 -11.559 -5.800 6.474 433 HG SER 59 HG SER 59 -9.063 -6.131 7.753 434 H ILE 60 HN ILE 60 -7.697 -5.613 5.513 435 HA ILE 60 HA ILE 60 -8.469 -6.139 2.734 436 HB ILE 60 HB ILE 60 -5.763 -6.397 4.063 437 HG12 ILE 60 HG12 ILE 60 -6.929 -4.247 2.262 438 HG13 ILE 60 HG11 ILE 60 -6.516 -4.075 3.965 439 HG21 ILE 60 HG21 ILE 60 -5.999 -7.902 2.159 440 HG22 ILE 60 HG22 ILE 60 -4.890 -6.584 1.781 441 HG23 ILE 60 HG23 ILE 60 -6.536 -6.559 1.150 442 HD11 ILE 60 HD11 ILE 60 -4.156 -4.433 3.412 443 HD12 ILE 60 HD12 ILE 60 -4.835 -3.037 2.577 444 HD13 ILE 60 HD13 ILE 60 -4.585 -4.552 1.704 445 HA PRO 61 HA PRO 61 -9.516 -10.307 3.878 446 HB2 PRO 61 HB2 PRO 61 -9.317 -10.842 0.982 447 HB3 PRO 61 HB1 PRO 61 -10.696 -11.020 2.070 448 HG2 PRO 61 HG2 PRO 61 -10.595 -9.053 0.259 449 HG3 PRO 61 HG1 PRO 61 -11.323 -8.809 1.858 450 HD2 PRO 61 HD2 PRO 61 -8.625 -7.973 0.854 451 HD3 PRO 61 HD1 PRO 61 -9.773 -7.080 1.874 452 H ASP 62 HN ASP 62 -8.525 -12.243 4.128 453 HA ASP 62 HA ASP 62 -5.745 -12.294 4.233 454 HB2 ASP 62 HB2 ASP 62 -7.624 -14.666 4.194 455 HB3 ASP 62 HB1 ASP 62 -5.976 -14.660 4.810 456 H ASP 63 HN ASP 63 -7.951 -13.604 1.805 457 HA ASP 63 HA ASP 63 -5.799 -14.956 0.405 458 HB2 ASP 63 HB2 ASP 63 -8.720 -14.606 -0.278 459 HB3 ASP 63 HB1 ASP 63 -7.587 -15.576 -1.212 460 H VAL 64 HN VAL 64 -7.900 -12.165 -0.133 461 HA VAL 64 HA VAL 64 -7.025 -11.732 -2.810 462 HB VAL 64 HB VAL 64 -8.420 -9.749 -1.006 463 HG11 VAL 64 HG11 VAL 64 -7.490 -8.764 -3.041 464 HG12 VAL 64 HG12 VAL 64 -9.252 -8.785 -3.096 465 HG13 VAL 64 HG13 VAL 64 -8.326 -9.973 -4.014 466 HG21 VAL 64 HG21 VAL 64 -9.613 -11.820 -2.845 467 HG22 VAL 64 HG22 VAL 64 -10.512 -10.594 -1.953 468 HG23 VAL 64 HG23 VAL 64 -9.648 -11.863 -1.083 469 H ALA 65 HN ALA 65 -5.660 -11.008 0.214 470 HA ALA 65 HA ALA 65 -4.177 -8.696 -0.366 471 HB1 ALA 65 HB1 ALA 65 -3.376 -10.997 1.406 472 HB2 ALA 65 HB2 ALA 65 -4.400 -9.644 1.889 473 HB3 ALA 65 HB3 ALA 65 -2.714 -9.362 1.449 474 H GLY 66 HN GLY 66 -3.647 -12.055 -1.137 475 HA2 GLY 66 HA2 GLY 66 -0.977 -11.488 -2.203 476 HA3 GLY 66 HA1 GLY 66 -1.679 -13.081 -1.965 477 H ARG 67 HN ARG 67 -2.838 -10.196 -3.698 478 HA ARG 67 HA ARG 67 -2.819 -11.765 -6.190 479 HB2 ARG 67 HB2 ARG 67 -5.126 -10.161 -5.071 480 HB3 ARG 67 HB1 ARG 67 -5.042 -10.676 -6.748 481 HG2 ARG 67 HG2 ARG 67 -5.049 -12.513 -4.359 482 HG3 ARG 67 HG1 ARG 67 -6.443 -12.147 -5.376 483 HD2 ARG 67 HD2 ARG 67 -3.886 -13.456 -6.302 484 HD3 ARG 67 HD1 ARG 67 -5.406 -14.287 -5.982 485 HE ARG 67 HE ARG 67 -5.495 -12.156 -7.957 486 HH11 ARG 67 HH11 ARG 67 -5.221 -15.591 -7.342 487 HH12 ARG 67 HH12 ARG 67 -5.742 -16.044 -8.941 488 HH21 ARG 67 HH21 ARG 67 -6.186 -12.736 -10.039 489 HH22 ARG 67 HH22 ARG 67 -6.305 -14.413 -10.481 490 H VAL 68 HN VAL 68 -1.339 -9.408 -4.856 491 HA VAL 68 HA VAL 68 -1.338 -7.712 -7.245 492 HB VAL 68 HB VAL 68 -1.151 -5.668 -5.886 493 HG11 VAL 68 HG11 VAL 68 -3.488 -5.510 -5.163 494 HG12 VAL 68 HG12 VAL 68 -3.640 -7.260 -5.293 495 HG13 VAL 68 HG13 VAL 68 -3.341 -6.291 -6.737 496 HG21 VAL 68 HG21 VAL 68 -0.241 -6.654 -3.841 497 HG22 VAL 68 HG22 VAL 68 -1.789 -7.444 -3.529 498 HG23 VAL 68 HG23 VAL 68 -1.675 -5.684 -3.502 499 H ASP 69 HN ASP 69 0.677 -6.672 -7.660 500 HA ASP 69 HA ASP 69 2.865 -7.408 -5.844 501 HB2 ASP 69 HB2 ASP 69 4.290 -8.105 -7.657 502 HB3 ASP 69 HB1 ASP 69 2.812 -9.046 -7.700 503 H THR 70 HN THR 70 1.268 -5.040 -7.521 504 HA THR 70 HA THR 70 3.591 -3.245 -7.258 505 HB THR 70 HB THR 70 2.646 -1.875 -9.104 506 HG1 THR 70 HG1 THR 70 0.854 -4.092 -9.311 507 HG21 THR 70 HG21 THR 70 3.302 -3.384 -10.937 508 HG22 THR 70 HG22 THR 70 3.284 -4.743 -9.809 509 HG23 THR 70 HG23 THR 70 4.442 -3.428 -9.593 510 HA PRO 71 HA PRO 71 1.188 -0.749 -4.463 511 HB2 PRO 71 HB2 PRO 71 2.316 1.543 -5.994 512 HB3 PRO 71 HB1 PRO 71 2.350 1.229 -4.257 513 HG2 PRO 71 HG2 PRO 71 4.535 0.874 -5.725 514 HG3 PRO 71 HG1 PRO 71 4.122 -0.266 -4.428 515 HD2 PRO 71 HD2 PRO 71 3.802 -0.562 -7.390 516 HD3 PRO 71 HD1 PRO 71 4.297 -1.768 -6.182 517 H ARG 72 HN ARG 72 1.216 0.025 -7.896 518 HA ARG 72 HA ARG 72 -0.947 1.754 -8.070 519 HB2 ARG 72 HB2 ARG 72 0.756 0.767 -9.864 520 HB3 ARG 72 HB1 ARG 72 -0.585 -0.318 -10.191 521 HG2 ARG 72 HG2 ARG 72 -0.784 2.684 -10.258 522 HG3 ARG 72 HG1 ARG 72 -0.472 1.674 -11.670 523 HD2 ARG 72 HD2 ARG 72 -2.614 0.557 -11.354 524 HD3 ARG 72 HD1 ARG 72 -2.913 1.517 -9.902 525 HE ARG 72 HE ARG 72 -2.411 3.131 -12.223 526 HH11 ARG 72 HH11 ARG 72 -4.876 1.333 -10.499 527 HH12 ARG 72 HH12 ARG 72 -6.194 2.256 -11.139 528 HH21 ARG 72 HH21 ARG 72 -4.138 4.348 -13.083 529 HH22 ARG 72 HH22 ARG 72 -5.776 3.979 -12.627 530 H GLU 73 HN GLU 73 -0.898 -1.792 -8.142 531 HA GLU 73 HA GLU 73 -3.669 -2.148 -8.578 532 HB2 GLU 73 HB2 GLU 73 -1.666 -3.993 -7.263 533 HB3 GLU 73 HB1 GLU 73 -3.259 -4.463 -7.838 534 HG2 GLU 73 HG2 GLU 73 -2.646 -4.073 -10.101 535 HG3 GLU 73 HG1 GLU 73 -1.127 -3.318 -9.617 536 H LEU 74 HN LEU 74 -1.692 -2.222 -5.642 537 HA LEU 74 HA LEU 74 -3.660 -2.884 -3.785 538 HB2 LEU 74 HB2 LEU 74 -1.071 -2.637 -3.586 539 HB3 LEU 74 HB1 LEU 74 -1.427 -0.978 -3.160 540 HG LEU 74 HG LEU 74 -2.478 -3.379 -1.647 541 HD11 LEU 74 HD11 LEU 74 -0.050 -3.245 -1.492 542 HD12 LEU 74 HD12 LEU 74 -0.800 -2.795 0.040 543 HD13 LEU 74 HD13 LEU 74 -0.160 -1.546 -1.027 544 HD21 LEU 74 HD21 LEU 74 -3.859 -1.369 -1.428 545 HD22 LEU 74 HD22 LEU 74 -2.436 -0.440 -0.954 546 HD23 LEU 74 HD23 LEU 74 -3.021 -1.743 0.080 547 H LEU 75 HN LEU 75 -2.478 0.317 -4.756 548 HA LEU 75 HA LEU 75 -4.150 1.849 -3.117 549 HB2 LEU 75 HB2 LEU 75 -2.063 2.446 -4.580 550 HB3 LEU 75 HB1 LEU 75 -3.250 2.791 -5.816 551 HG LEU 75 HG LEU 75 -3.379 4.108 -3.116 552 HD11 LEU 75 HD11 LEU 75 -2.181 6.004 -4.136 553 HD12 LEU 75 HD12 LEU 75 -1.856 5.008 -5.555 554 HD13 LEU 75 HD13 LEU 75 -1.173 4.567 -3.991 555 HD21 LEU 75 HD21 LEU 75 -4.596 5.820 -4.322 556 HD22 LEU 75 HD22 LEU 75 -5.364 4.247 -4.544 557 HD23 LEU 75 HD23 LEU 75 -4.378 4.935 -5.834 558 H ASP 76 HN ASP 76 -4.589 0.697 -6.431 559 HA ASP 76 HA ASP 76 -6.988 2.083 -6.980 560 HB2 ASP 76 HB2 ASP 76 -5.546 1.147 -8.721 561 HB3 ASP 76 HB1 ASP 76 -5.906 -0.482 -8.161 562 H LEU 77 HN LEU 77 -6.370 -1.162 -5.736 563 HA LEU 77 HA LEU 77 -8.965 -2.167 -6.007 564 HB2 LEU 77 HB2 LEU 77 -7.001 -3.581 -5.674 565 HB3 LEU 77 HB1 LEU 77 -6.812 -2.957 -4.046 566 HG LEU 77 HG LEU 77 -8.980 -3.970 -3.424 567 HD11 LEU 77 HD11 LEU 77 -10.024 -3.945 -5.640 568 HD12 LEU 77 HD12 LEU 77 -10.059 -5.555 -4.924 569 HD13 LEU 77 HD13 LEU 77 -8.887 -5.176 -6.187 570 HD21 LEU 77 HD21 LEU 77 -8.205 -6.296 -3.446 571 HD22 LEU 77 HD22 LEU 77 -6.909 -5.177 -3.021 572 HD23 LEU 77 HD23 LEU 77 -6.981 -5.869 -4.642 573 H ILE 78 HN ILE 78 -7.389 -0.671 -3.180 574 HA ILE 78 HA ILE 78 -9.639 -1.071 -1.487 575 HB ILE 78 HB ILE 78 -7.392 0.919 -1.120 576 HG12 ILE 78 HG12 ILE 78 -7.672 -1.957 -0.219 577 HG13 ILE 78 HG11 ILE 78 -6.514 -1.341 -1.394 578 HG21 ILE 78 HG21 ILE 78 -9.267 -0.317 0.897 579 HG22 ILE 78 HG22 ILE 78 -9.354 1.340 0.299 580 HG23 ILE 78 HG23 ILE 78 -7.961 0.816 1.244 581 HD11 ILE 78 HD11 ILE 78 -5.414 -0.053 0.345 582 HD12 ILE 78 HD12 ILE 78 -5.482 -1.764 0.776 583 HD13 ILE 78 HD13 ILE 78 -6.594 -0.618 1.526 584 H ASN 79 HN ASN 79 -8.737 1.429 -3.728 585 HA ASN 79 HA ASN 79 -10.525 3.430 -2.787 586 HB2 ASN 79 HB2 ASN 79 -8.905 3.018 -5.236 587 HB3 ASN 79 HB1 ASN 79 -10.309 4.066 -5.398 588 HD21 ASN 79 HD21 ASN 79 -7.239 3.614 -3.840 589 HD22 ASN 79 HD22 ASN 79 -7.042 5.256 -3.323 590 H GLY 80 HN GLY 80 -10.820 0.758 -5.059 591 HA2 GLY 80 HA2 GLY 80 -13.280 1.431 -6.222 592 HA3 GLY 80 HA1 GLY 80 -12.653 -0.204 -6.049 593 H ALA 81 HN ALA 81 -12.545 -0.229 -3.193 594 HA ALA 81 HA ALA 81 -15.247 -1.005 -2.689 595 HB1 ALA 81 HB1 ALA 81 -13.404 -2.262 -1.743 596 HB2 ALA 81 HB2 ALA 81 -14.428 -1.622 -0.457 597 HB3 ALA 81 HB3 ALA 81 -12.886 -0.849 -0.823 598 H LEU 82 HN LEU 82 -13.189 1.662 -1.628 599 HA LEU 82 HA LEU 82 -15.002 2.756 0.244 600 HB2 LEU 82 HB2 LEU 82 -12.778 4.058 -1.325 601 HB3 LEU 82 HB1 LEU 82 -13.635 4.825 -0.002 602 HG LEU 82 HG LEU 82 -11.980 2.314 0.243 603 HD11 LEU 82 HD11 LEU 82 -10.611 4.283 -0.240 604 HD12 LEU 82 HD12 LEU 82 -10.377 3.716 1.413 605 HD13 LEU 82 HD13 LEU 82 -11.371 5.139 1.100 606 HD21 LEU 82 HD21 LEU 82 -13.274 4.051 2.346 607 HD22 LEU 82 HD22 LEU 82 -12.268 2.633 2.641 608 HD23 LEU 82 HD23 LEU 82 -13.833 2.452 1.849 609 H ALA 83 HN ALA 83 -14.572 3.166 -3.205 610 HA ALA 83 HA ALA 83 -16.179 5.488 -3.484 611 HB1 ALA 83 HB1 ALA 83 -14.494 4.788 -5.142 612 HB2 ALA 83 HB2 ALA 83 -16.078 5.076 -5.863 613 HB3 ALA 83 HB3 ALA 83 -15.522 3.426 -5.586 614 H GLU 84 HN GLU 84 -17.082 2.365 -2.687 615 HA GLU 84 HA GLU 84 -19.654 2.511 -4.050 616 HB2 GLU 84 HB2 GLU 84 -18.524 0.375 -2.241 617 HB3 GLU 84 HB1 GLU 84 -20.068 0.280 -3.073 618 HG2 GLU 84 HG2 GLU 84 -18.773 0.540 -5.223 619 HG3 GLU 84 HG1 GLU 84 -17.317 0.279 -4.261 620 H ALA 85 HN ALA 85 -18.314 2.760 -0.806 621 HA ALA 85 HA ALA 85 -21.024 3.361 0.179 622 HB1 ALA 85 HB1 ALA 85 -20.468 2.274 2.283 623 HB2 ALA 85 HB2 ALA 85 -18.870 1.865 1.659 624 HB3 ALA 85 HB3 ALA 85 -20.309 1.148 0.933 625 H ALA 86 HN ALA 86 -20.648 5.587 -0.056 626 HA ALA 86 HA ALA 86 -19.627 6.860 2.250 627 HB1 ALA 86 HB1 ALA 86 -18.000 7.248 -0.261 628 HB2 ALA 86 HB2 ALA 86 -17.470 6.393 1.187 629 HB3 ALA 86 HB3 ALA 86 -17.795 8.127 1.252 630 H28 SXO 87 H28B SXO 87 5.971 -11.512 6.511 631 H28A SXO 87 H28A SXO 87 7.031 -12.636 7.364 632 H30 SXO 87 H30A SXO 87 5.486 -12.052 9.316 633 H30A SXO 87 H30C SXO 87 4.458 -11.133 8.216 634 H30B SXO 87 H30B SXO 87 3.768 -12.430 9.192 635 H31 SXO 87 H31A SXO 87 2.902 -13.664 7.142 636 H31A SXO 87 H31B SXO 87 3.981 -13.863 5.762 637 H31B SXO 87 H31C SXO 87 3.447 -12.251 6.239 638 H32 SXO 87 H32A SXO 87 5.916 -14.345 9.007 639 HO33 SXO 87 H33A SXO 87 6.135 -14.758 6.360 640 HN36 SXO 87 H36A SXO 87 3.518 -13.866 9.832 641 H37 SXO 87 H37A SXO 87 2.101 -16.429 9.778 642 H37A SXO 87 H37B SXO 87 1.947 -15.179 11.011 643 H38 SXO 87 H38B SXO 87 -0.058 -15.419 9.570 644 H38A SXO 87 H38A SXO 87 0.921 -14.953 8.185 645 HN41 SXO 87 H41A SXO 87 -0.774 -13.355 8.016 646 H42 SXO 87 H42A SXO 87 -1.545 -11.326 9.594 647 H42A SXO 87 H42B SXO 87 0.062 -10.812 9.082 648 H43 SXO 87 H43B SXO 87 -2.243 -11.496 7.260 649 H43A SXO 87 H43A SXO 87 -1.628 -9.870 7.608 650 H2 SXO 87 H2A SXO 87 -1.147 -10.111 2.841 651 H2A SXO 87 H2B SXO 87 -0.080 -11.422 3.343 652 H3 SXO 87 H3B SXO 87 0.365 -8.500 3.924 653 H3A SXO 87 H3A SXO 87 1.446 -9.826 4.345 654 H4 SXO 87 H4A SXO 87 1.759 -10.328 1.973 655 H4A SXO 87 H4B SXO 87 2.218 -8.664 2.339 656 H5 SXO 87 H5B SXO 87 0.945 -8.802 0.254 657 H5A SXO 87 H5A SXO 87 -0.399 -9.547 1.118 658 H6 SXO 87 H6A SXO 87 0.701 -6.785 1.638 659 H6A SXO 87 H6B SXO 87 -0.675 -7.526 2.455 660 H7 SXO 87 H7A SXO 87 -1.877 -7.643 0.322 661 H7A SXO 87 H7B SXO 87 -0.491 -6.899 -0.494 662 H8 SXO 87 H8C SXO 87 -2.228 -5.252 0.017 663 H8A SXO 87 H8A SXO 87 -0.742 -4.917 0.907 664 H8B SXO 87 H8B SXO 87 -2.111 -5.667 1.728 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -14.777 15.131 5.081 2 H2 MET 1 HT2 MET 1 -16.309 14.422 5.234 3 H3 MET 1 HT3 MET 1 -16.171 16.046 4.758 4 HA MET 1 HA MET 1 -16.693 14.685 2.871 5 HB2 MET 1 HB2 MET 1 -13.836 15.682 2.899 6 HB3 MET 1 HB1 MET 1 -14.710 15.226 1.444 7 HG2 MET 1 HG2 MET 1 -15.496 17.439 3.333 8 HG3 MET 1 HG1 MET 1 -14.655 17.650 1.796 9 HE1 MET 1 HE1 MET 1 -17.367 16.550 -0.798 10 HE2 MET 1 HE2 MET 1 -16.063 15.578 -0.113 11 HE3 MET 1 HE3 MET 1 -15.764 17.251 -0.580 12 H ALA 2 HN ALA 2 -16.561 12.757 1.858 13 HA ALA 2 HA ALA 2 -15.033 10.657 3.073 14 HB1 ALA 2 HB1 ALA 2 -16.078 9.208 1.407 15 HB2 ALA 2 HB2 ALA 2 -16.707 10.621 0.560 16 HB3 ALA 2 HB3 ALA 2 -17.276 10.241 2.185 17 H THR 3 HN THR 3 -12.919 10.624 2.761 18 HA THR 3 HA THR 3 -11.851 11.310 0.125 19 HB THR 3 HB THR 3 -9.653 11.199 1.665 20 HG1 THR 3 HG1 THR 3 -11.599 12.225 3.463 21 HG21 THR 3 HG21 THR 3 -9.860 13.630 1.947 22 HG22 THR 3 HG22 THR 3 -11.576 13.527 1.553 23 HG23 THR 3 HG23 THR 3 -10.365 13.125 0.335 24 H LEU 4 HN LEU 4 -11.050 9.768 -1.137 25 HA LEU 4 HA LEU 4 -10.919 7.043 -0.209 26 HB2 LEU 4 HB2 LEU 4 -10.118 8.204 -2.880 27 HB3 LEU 4 HB1 LEU 4 -10.319 6.502 -2.515 28 HG LEU 4 HG LEU 4 -12.518 8.574 -2.547 29 HD11 LEU 4 HD11 LEU 4 -11.692 7.970 -4.771 30 HD12 LEU 4 HD12 LEU 4 -13.327 7.371 -4.494 31 HD13 LEU 4 HD13 LEU 4 -11.956 6.267 -4.403 32 HD21 LEU 4 HD21 LEU 4 -14.021 6.655 -2.264 33 HD22 LEU 4 HD22 LEU 4 -12.976 6.898 -0.866 34 HD23 LEU 4 HD23 LEU 4 -12.625 5.608 -2.019 35 H LEU 5 HN LEU 5 -8.841 5.868 -1.354 36 HA LEU 5 HA LEU 5 -6.644 6.727 0.295 37 HB2 LEU 5 HB2 LEU 5 -7.321 4.327 -0.152 38 HB3 LEU 5 HB1 LEU 5 -6.682 4.520 -1.769 39 HG LEU 5 HG LEU 5 -4.943 4.973 0.642 40 HD11 LEU 5 HD11 LEU 5 -4.232 2.651 0.485 41 HD12 LEU 5 HD12 LEU 5 -5.429 2.360 -0.778 42 HD13 LEU 5 HD13 LEU 5 -5.952 2.755 0.858 43 HD21 LEU 5 HD21 LEU 5 -4.083 5.735 -1.512 44 HD22 LEU 5 HD22 LEU 5 -4.364 4.135 -2.199 45 HD23 LEU 5 HD23 LEU 5 -3.165 4.349 -0.924 46 H THR 6 HN THR 6 -5.051 8.036 -0.310 47 HA THR 6 HA THR 6 -5.005 8.879 -3.115 48 HB THR 6 HB THR 6 -3.927 10.901 -2.385 49 HG1 THR 6 HG1 THR 6 -3.993 10.509 0.319 50 HG21 THR 6 HG21 THR 6 -5.596 11.831 -0.855 51 HG22 THR 6 HG22 THR 6 -6.148 10.203 -0.462 52 HG23 THR 6 HG23 THR 6 -6.358 10.834 -2.096 53 H THR 7 HN THR 7 -2.887 9.473 -4.033 54 HA THR 7 HA THR 7 -1.005 7.435 -4.050 55 HB THR 7 HB THR 7 0.506 9.296 -5.039 56 HG1 THR 7 HG1 THR 7 -0.328 11.200 -4.469 57 HG21 THR 7 HG21 THR 7 -0.744 7.708 -6.419 58 HG22 THR 7 HG22 THR 7 -0.773 9.319 -7.138 59 HG23 THR 7 HG23 THR 7 -2.187 8.711 -6.277 60 H ASP 8 HN ASP 8 -0.955 10.547 -2.361 61 HA ASP 8 HA ASP 8 1.633 10.244 -1.276 62 HB2 ASP 8 HB2 ASP 8 -0.666 12.054 -0.557 63 HB3 ASP 8 HB1 ASP 8 0.903 12.141 0.238 64 H ASP 9 HN ASP 9 -1.610 9.689 0.085 65 HA ASP 9 HA ASP 9 -0.736 9.023 2.677 66 HB2 ASP 9 HB2 ASP 9 -3.218 8.425 1.126 67 HB3 ASP 9 HB1 ASP 9 -2.929 7.584 2.645 68 H LEU 10 HN LEU 10 -1.148 7.058 -0.219 69 HA LEU 10 HA LEU 10 -0.512 4.578 0.976 70 HB2 LEU 10 HB2 LEU 10 -1.520 4.813 -1.265 71 HB3 LEU 10 HB1 LEU 10 -0.029 5.526 -1.853 72 HG LEU 10 HG LEU 10 1.148 3.399 -1.390 73 HD11 LEU 10 HD11 LEU 10 -0.116 1.392 -0.871 74 HD12 LEU 10 HD12 LEU 10 -1.604 2.334 -0.776 75 HD13 LEU 10 HD13 LEU 10 -0.321 2.595 0.404 76 HD21 LEU 10 HD21 LEU 10 -1.282 3.148 -3.160 77 HD22 LEU 10 HD22 LEU 10 0.157 2.131 -3.233 78 HD23 LEU 10 HD23 LEU 10 0.273 3.849 -3.617 79 H ARG 11 HN ARG 11 1.481 6.937 -0.780 80 HA ARG 11 HA ARG 11 3.922 5.626 -0.626 81 HB2 ARG 11 HB2 ARG 11 3.589 7.525 -2.084 82 HB3 ARG 11 HB1 ARG 11 3.339 8.588 -0.706 83 HG2 ARG 11 HG2 ARG 11 5.619 8.398 -0.046 84 HG3 ARG 11 HG1 ARG 11 5.915 7.126 -1.231 85 HD2 ARG 11 HD2 ARG 11 6.790 9.308 -1.958 86 HD3 ARG 11 HD1 ARG 11 5.553 8.678 -3.048 87 HE ARG 11 HE ARG 11 4.335 10.370 -1.159 88 HH11 ARG 11 HH11 ARG 11 6.502 10.522 -3.895 89 HH12 ARG 11 HH12 ARG 11 6.024 12.128 -4.359 90 HH21 ARG 11 HH21 ARG 11 3.682 12.512 -1.776 91 HH22 ARG 11 HH22 ARG 11 4.450 13.250 -3.143 92 H ARG 12 HN ARG 12 2.553 7.999 1.659 93 HA ARG 12 HA ARG 12 4.852 8.044 3.318 94 HB2 ARG 12 HB2 ARG 12 3.415 9.167 4.979 95 HB3 ARG 12 HB1 ARG 12 3.304 9.894 3.383 96 HG2 ARG 12 HG2 ARG 12 1.181 8.939 2.997 97 HG3 ARG 12 HG1 ARG 12 1.327 7.891 4.410 98 HD2 ARG 12 HD2 ARG 12 1.371 10.885 4.642 99 HD3 ARG 12 HD1 ARG 12 -0.139 9.979 4.625 100 HE ARG 12 HE ARG 12 1.538 8.825 6.547 101 HH11 ARG 12 HH11 ARG 12 -0.153 11.865 6.017 102 HH12 ARG 12 HH12 ARG 12 -0.392 12.160 7.718 103 HH21 ARG 12 HH21 ARG 12 1.264 9.238 8.762 104 HH22 ARG 12 HH22 ARG 12 0.444 10.690 9.274 105 H ALA 13 HN ALA 13 2.092 5.929 3.171 106 HA ALA 13 HA ALA 13 2.154 4.927 5.794 107 HB1 ALA 13 HB1 ALA 13 0.875 3.032 4.929 108 HB2 ALA 13 HB2 ALA 13 1.261 3.519 3.277 109 HB3 ALA 13 HB3 ALA 13 0.262 4.560 4.294 110 H LEU 14 HN LEU 14 3.956 4.037 2.912 111 HA LEU 14 HA LEU 14 5.126 1.666 3.897 112 HB2 LEU 14 HB2 LEU 14 5.902 3.629 1.763 113 HB3 LEU 14 HB1 LEU 14 6.997 2.337 2.209 114 HG LEU 14 HG LEU 14 5.782 1.675 0.255 115 HD11 LEU 14 HD11 LEU 14 4.650 -0.366 1.082 116 HD12 LEU 14 HD12 LEU 14 4.798 0.265 2.722 117 HD13 LEU 14 HD13 LEU 14 6.244 -0.104 1.784 118 HD21 LEU 14 HD21 LEU 14 3.264 2.192 1.824 119 HD22 LEU 14 HD22 LEU 14 3.352 1.482 0.211 120 HD23 LEU 14 HD23 LEU 14 3.862 3.150 0.471 121 H VAL 15 HN VAL 15 6.135 5.046 4.025 122 HA VAL 15 HA VAL 15 8.667 4.512 5.216 123 HB VAL 15 HB VAL 15 7.134 7.118 5.230 124 HG11 VAL 15 HG11 VAL 15 10.085 6.556 5.509 125 HG12 VAL 15 HG12 VAL 15 8.996 7.040 6.808 126 HG13 VAL 15 HG13 VAL 15 9.331 8.151 5.479 127 HG21 VAL 15 HG21 VAL 15 7.384 6.283 2.948 128 HG22 VAL 15 HG22 VAL 15 9.120 6.093 3.201 129 HG23 VAL 15 HG23 VAL 15 8.394 7.701 3.222 130 H GLU 16 HN GLU 16 5.464 5.230 6.445 131 HA GLU 16 HA GLU 16 6.258 5.874 9.085 132 HB2 GLU 16 HB2 GLU 16 3.612 4.896 8.010 133 HB3 GLU 16 HB1 GLU 16 3.864 5.481 9.652 134 HG2 GLU 16 HG2 GLU 16 4.563 7.651 8.763 135 HG3 GLU 16 HG1 GLU 16 4.284 7.062 7.124 136 H SER 17 HN SER 17 5.369 2.825 7.528 137 HA SER 17 HA SER 17 5.694 1.368 10.000 138 HB2 SER 17 HB2 SER 17 5.266 0.441 7.159 139 HB3 SER 17 HB1 SER 17 5.400 -0.650 8.541 140 HG SER 17 HG SER 17 3.286 -0.320 8.457 141 H ALA 18 HN ALA 18 7.726 2.475 7.492 142 HA ALA 18 HA ALA 18 9.792 0.509 7.799 143 HB1 ALA 18 HB1 ALA 18 11.139 1.997 6.420 144 HB2 ALA 18 HB2 ALA 18 9.925 3.265 6.583 145 HB3 ALA 18 HB3 ALA 18 9.533 1.776 5.721 146 H GLY 19 HN GLY 19 9.237 3.802 9.000 147 HA2 GLY 19 HA2 GLY 19 9.960 4.752 10.985 148 HA3 GLY 19 HA1 GLY 19 10.754 3.232 11.378 149 H GLU 20 HN GLU 20 11.062 5.824 8.976 150 HA GLU 20 HA GLU 20 12.798 7.077 8.259 151 HB2 GLU 20 HB2 GLU 20 14.124 6.076 10.781 152 HB3 GLU 20 HB1 GLU 20 14.871 7.229 9.682 153 HG2 GLU 20 HG2 GLU 20 13.062 8.797 10.060 154 HG3 GLU 20 HG1 GLU 20 12.252 7.637 11.114 155 H THR 21 HN THR 21 14.170 6.787 6.660 156 HA THR 21 HA THR 21 15.651 4.264 6.499 157 HB THR 21 HB THR 21 15.210 4.355 3.987 158 HG1 THR 21 HG1 THR 21 14.309 6.322 3.639 159 HG21 THR 21 HG21 THR 21 14.139 2.688 5.406 160 HG22 THR 21 HG22 THR 21 13.007 3.262 4.179 161 HG23 THR 21 HG23 THR 21 12.881 3.842 5.841 162 H ASP 22 HN ASP 22 17.081 4.610 4.265 163 HA ASP 22 HA ASP 22 18.410 7.211 4.627 164 HB2 ASP 22 HB2 ASP 22 20.557 6.142 4.252 165 HB3 ASP 22 HB1 ASP 22 19.722 5.334 5.573 166 H GLY 23 HN GLY 23 18.031 4.508 2.301 167 HA2 GLY 23 HA2 GLY 23 18.227 6.535 0.158 168 HA3 GLY 23 HA1 GLY 23 18.812 4.887 -0.004 169 H THR 24 HN THR 24 16.004 4.686 1.699 170 HA THR 24 HA THR 24 14.553 3.692 -0.561 171 HB THR 24 HB THR 24 13.460 4.149 2.221 172 HG1 THR 24 HG1 THR 24 14.265 1.612 1.702 173 HG21 THR 24 HG21 THR 24 11.804 3.591 0.486 174 HG22 THR 24 HG22 THR 24 11.979 2.284 1.657 175 HG23 THR 24 HG23 THR 24 12.733 2.151 0.068 176 H ASP 25 HN ASP 25 14.560 5.696 -1.792 177 HA ASP 25 HA ASP 25 12.671 7.725 -0.850 178 HB2 ASP 25 HB2 ASP 25 14.851 8.533 -1.644 179 HB3 ASP 25 HB1 ASP 25 14.584 7.750 -3.198 180 H LEU 26 HN LEU 26 10.690 7.915 -1.702 181 HA LEU 26 HA LEU 26 10.021 6.122 -3.942 182 HB2 LEU 26 HB2 LEU 26 8.272 7.109 -1.682 183 HB3 LEU 26 HB1 LEU 26 7.728 6.097 -3.008 184 HG LEU 26 HG LEU 26 9.792 5.298 -0.945 185 HD11 LEU 26 HD11 LEU 26 8.065 3.816 -0.088 186 HD12 LEU 26 HD12 LEU 26 6.924 4.431 -1.283 187 HD13 LEU 26 HD13 LEU 26 7.531 5.496 -0.016 188 HD21 LEU 26 HD21 LEU 26 9.569 3.069 -1.923 189 HD22 LEU 26 HD22 LEU 26 10.150 4.228 -3.118 190 HD23 LEU 26 HD23 LEU 26 8.465 3.707 -3.142 191 H SER 27 HN SER 27 10.921 9.038 -3.888 192 HA SER 27 HA SER 27 8.635 10.431 -4.959 193 HB2 SER 27 HB2 SER 27 10.463 11.627 -3.749 194 HB3 SER 27 HB1 SER 27 11.555 11.235 -5.078 195 HG SER 27 HG SER 27 10.247 13.366 -4.998 196 H GLY 28 HN GLY 28 7.865 9.491 -6.739 197 HA2 GLY 28 HA2 GLY 28 8.639 9.987 -9.241 198 HA3 GLY 28 HA1 GLY 28 9.620 8.577 -8.861 199 H ASP 29 HN ASP 29 8.573 7.270 -10.382 200 HA ASP 29 HA ASP 29 5.709 6.866 -10.114 201 HB2 ASP 29 HB2 ASP 29 7.712 5.565 -11.981 202 HB3 ASP 29 HB1 ASP 29 5.975 5.279 -12.013 203 H PHE 30 HN PHE 30 6.116 6.174 -7.834 204 HA PHE 30 HA PHE 30 7.355 3.646 -7.367 205 HB2 PHE 30 HB2 PHE 30 6.492 3.838 -5.089 206 HB3 PHE 30 HB1 PHE 30 7.225 5.351 -5.599 207 HD1 PHE 30 HD2 PHE 30 5.727 7.261 -6.274 208 HD2 PHE 30 HD1 PHE 30 4.239 3.743 -4.385 209 HE1 PHE 30 HE2 PHE 30 3.665 8.459 -5.664 210 HE2 PHE 30 HE1 PHE 30 2.177 4.940 -3.780 211 HZ PHE 30 HZ PHE 30 1.900 7.301 -4.385 212 H LEU 31 HN LEU 31 4.122 4.732 -8.078 213 HA LEU 31 HA LEU 31 2.638 2.463 -7.399 214 HB2 LEU 31 HB2 LEU 31 2.240 4.445 -9.637 215 HB3 LEU 31 HB1 LEU 31 1.042 3.267 -9.136 216 HG LEU 31 HG LEU 31 2.148 5.440 -7.349 217 HD11 LEU 31 HD11 LEU 31 0.846 6.376 -9.193 218 HD12 LEU 31 HD12 LEU 31 -0.009 6.537 -7.657 219 HD13 LEU 31 HD13 LEU 31 -0.488 5.290 -8.808 220 HD21 LEU 31 HD21 LEU 31 -0.179 3.551 -6.989 221 HD22 LEU 31 HD22 LEU 31 0.282 4.851 -5.889 222 HD23 LEU 31 HD23 LEU 31 1.360 3.477 -6.131 223 H ASP 32 HN ASP 32 4.940 2.895 -9.902 224 HA ASP 32 HA ASP 32 3.864 0.711 -11.524 225 HB2 ASP 32 HB2 ASP 32 4.667 2.820 -12.602 226 HB3 ASP 32 HB1 ASP 32 6.284 2.472 -12.004 227 H LEU 33 HN LEU 33 6.172 1.289 -9.090 228 HA LEU 33 HA LEU 33 7.901 -0.926 -9.849 229 HB2 LEU 33 HB2 LEU 33 8.052 0.974 -7.508 230 HB3 LEU 33 HB1 LEU 33 9.268 -0.217 -7.927 231 HG LEU 33 HG LEU 33 8.483 2.139 -9.648 232 HD11 LEU 33 HD11 LEU 33 10.681 3.023 -9.054 233 HD12 LEU 33 HD12 LEU 33 10.942 1.658 -7.969 234 HD13 LEU 33 HD13 LEU 33 9.665 2.827 -7.626 235 HD21 LEU 33 HD21 LEU 33 10.423 1.511 -10.986 236 HD22 LEU 33 HD22 LEU 33 9.231 0.212 -10.945 237 HD23 LEU 33 HD23 LEU 33 10.685 0.106 -9.954 238 H ARG 34 HN ARG 34 7.817 -2.911 -8.960 239 HA ARG 34 HA ARG 34 5.672 -3.670 -7.273 240 HB2 ARG 34 HB2 ARG 34 8.212 -5.080 -8.055 241 HB3 ARG 34 HB1 ARG 34 6.987 -5.822 -7.040 242 HG2 ARG 34 HG2 ARG 34 5.361 -5.649 -8.823 243 HG3 ARG 34 HG1 ARG 34 6.545 -4.825 -9.842 244 HD2 ARG 34 HD2 ARG 34 7.924 -6.757 -9.953 245 HD3 ARG 34 HD1 ARG 34 6.996 -7.568 -8.694 246 HE ARG 34 HE ARG 34 5.101 -7.471 -10.395 247 HH11 ARG 34 HH11 ARG 34 8.502 -7.757 -11.244 248 HH12 ARG 34 HH12 ARG 34 8.193 -8.619 -12.724 249 HH21 ARG 34 HH21 ARG 34 4.701 -8.634 -12.336 250 HH22 ARG 34 HH22 ARG 34 6.037 -9.108 -13.348 251 H PHE 35 HN PHE 35 5.583 -4.167 -5.102 252 HA PHE 35 HA PHE 35 7.069 -2.711 -3.274 253 HB2 PHE 35 HB2 PHE 35 5.586 -5.308 -2.850 254 HB3 PHE 35 HB1 PHE 35 6.148 -4.257 -1.556 255 HD1 PHE 35 HD2 PHE 35 5.249 -1.855 -1.523 256 HD2 PHE 35 HD1 PHE 35 3.501 -4.994 -3.810 257 HE1 PHE 35 HE2 PHE 35 3.153 -0.579 -1.674 258 HE2 PHE 35 HE1 PHE 35 1.405 -3.717 -3.967 259 HZ PHE 35 HZ PHE 35 1.199 -1.545 -2.816 260 H GLU 36 HN GLU 36 7.534 -6.033 -4.364 261 HA GLU 36 HA GLU 36 9.532 -6.898 -2.663 262 HB2 GLU 36 HB2 GLU 36 9.295 -7.498 -5.617 263 HB3 GLU 36 HB1 GLU 36 10.158 -8.464 -4.429 264 HG2 GLU 36 HG2 GLU 36 7.211 -7.939 -4.280 265 HG3 GLU 36 HG1 GLU 36 7.904 -9.312 -5.135 266 H ASP 37 HN ASP 37 9.764 -4.704 -5.394 267 HA ASP 37 HA ASP 37 12.655 -5.011 -5.521 268 HB2 ASP 37 HB2 ASP 37 11.039 -4.774 -7.544 269 HB3 ASP 37 HB1 ASP 37 11.083 -3.054 -7.166 270 H ILE 38 HN ILE 38 10.285 -2.786 -4.289 271 HA ILE 38 HA ILE 38 12.241 -0.661 -4.015 272 HB ILE 38 HB ILE 38 10.385 0.615 -2.913 273 HG12 ILE 38 HG12 ILE 38 8.708 -1.737 -3.815 274 HG13 ILE 38 HG11 ILE 38 9.097 -1.358 -2.142 275 HG21 ILE 38 HG21 ILE 38 9.817 -0.461 -5.674 276 HG22 ILE 38 HG22 ILE 38 10.926 0.852 -5.281 277 HG23 ILE 38 HG23 ILE 38 9.198 1.047 -4.993 278 HD11 ILE 38 HD11 ILE 38 6.854 -0.634 -2.732 279 HD12 ILE 38 HD12 ILE 38 7.511 0.388 -4.013 280 HD13 ILE 38 HD13 ILE 38 7.882 0.737 -2.324 281 H GLY 39 HN GLY 39 12.252 -3.325 -2.487 282 HA2 GLY 39 HA2 GLY 39 13.510 -3.765 -0.583 283 HA3 GLY 39 HA1 GLY 39 13.393 -2.069 -0.147 284 H TYR 40 HN TYR 40 10.453 -3.727 -0.876 285 HA TYR 40 HA TYR 40 9.941 -3.945 2.010 286 HB2 TYR 40 HB2 TYR 40 8.070 -3.148 -0.215 287 HB3 TYR 40 HB1 TYR 40 7.492 -3.661 1.373 288 HD1 TYR 40 HD2 TYR 40 8.152 -2.356 3.397 289 HD2 TYR 40 HD1 TYR 40 8.942 -0.965 -0.543 290 HE1 TYR 40 HE2 TYR 40 8.527 -0.099 4.275 291 HE2 TYR 40 HE1 TYR 40 9.325 1.299 0.323 292 HH TYR 40 HH TYR 40 9.626 1.961 3.667 293 H ASP 41 HN ASP 41 10.367 -5.966 2.417 294 HA ASP 41 HA ASP 41 9.617 -8.121 0.660 295 HB2 ASP 41 HB2 ASP 41 11.631 -7.866 2.392 296 HB3 ASP 41 HB1 ASP 41 10.465 -8.612 3.479 297 H SER 42 HN SER 42 8.625 -10.116 2.050 298 HA SER 42 HA SER 42 5.904 -9.660 2.213 299 HB2 SER 42 HB2 SER 42 5.856 -11.854 3.477 300 HB3 SER 42 HB1 SER 42 6.757 -11.889 1.958 301 H LEU 43 HN LEU 43 8.209 -9.869 4.895 302 HA LEU 43 HA LEU 43 6.390 -9.520 6.993 303 HB2 LEU 43 HB2 LEU 43 8.686 -10.327 7.290 304 HB3 LEU 43 HB1 LEU 43 9.308 -8.747 6.851 305 HG LEU 43 HG LEU 43 8.184 -7.800 8.856 306 HD11 LEU 43 HD11 LEU 43 6.443 -9.493 9.125 307 HD12 LEU 43 HD12 LEU 43 7.404 -9.329 10.595 308 HD13 LEU 43 HD13 LEU 43 7.672 -10.697 9.515 309 HD21 LEU 43 HD21 LEU 43 10.124 -10.048 9.374 310 HD22 LEU 43 HD22 LEU 43 9.804 -8.688 10.451 311 HD23 LEU 43 HD23 LEU 43 10.550 -8.411 8.876 312 H ALA 44 HN ALA 44 8.434 -7.096 5.362 313 HA ALA 44 HA ALA 44 7.505 -4.899 6.868 314 HB1 ALA 44 HB1 ALA 44 8.668 -4.899 4.083 315 HB2 ALA 44 HB2 ALA 44 9.598 -4.879 5.581 316 HB3 ALA 44 HB3 ALA 44 8.556 -3.517 5.172 317 H LEU 45 HN LEU 45 6.414 -6.381 3.879 318 HA LEU 45 HA LEU 45 4.648 -4.352 3.060 319 HB2 LEU 45 HB2 LEU 45 5.469 -6.200 1.633 320 HB3 LEU 45 HB1 LEU 45 4.470 -7.320 2.538 321 HG LEU 45 HG LEU 45 2.448 -6.137 1.750 322 HD11 LEU 45 HD11 LEU 45 2.609 -4.440 0.029 323 HD12 LEU 45 HD12 LEU 45 4.369 -4.534 0.069 324 HD13 LEU 45 HD13 LEU 45 3.486 -3.926 1.469 325 HD21 LEU 45 HD21 LEU 45 2.559 -6.872 -0.584 326 HD22 LEU 45 HD22 LEU 45 3.284 -8.060 0.498 327 HD23 LEU 45 HD23 LEU 45 4.315 -6.999 -0.459 328 H MET 46 HN MET 46 4.071 -7.297 5.002 329 HA MET 46 HA MET 46 1.273 -6.912 5.193 330 HB2 MET 46 HB2 MET 46 1.280 -8.597 6.937 331 HB3 MET 46 HB1 MET 46 2.354 -9.093 5.638 332 HG2 MET 46 HG2 MET 46 4.284 -8.510 6.927 333 HG3 MET 46 HG1 MET 46 3.280 -7.790 8.185 334 HE1 MET 46 HE1 MET 46 1.533 -10.904 9.751 335 HE2 MET 46 HE2 MET 46 0.907 -9.859 8.480 336 HE3 MET 46 HE3 MET 46 1.773 -9.156 9.850 337 H GLU 47 HN GLU 47 3.942 -5.848 7.257 338 HA GLU 47 HA GLU 47 2.317 -4.864 9.355 339 HB2 GLU 47 HB2 GLU 47 5.103 -4.027 8.526 340 HB3 GLU 47 HB1 GLU 47 4.326 -3.589 10.041 341 HG2 GLU 47 HG2 GLU 47 4.125 -6.072 10.494 342 HG3 GLU 47 HG1 GLU 47 5.218 -6.301 9.129 343 H THR 48 HN THR 48 3.369 -3.513 6.316 344 HA THR 48 HA THR 48 2.669 -0.826 6.847 345 HB THR 48 HB THR 48 2.775 -2.241 4.178 346 HG1 THR 48 HG1 THR 48 4.774 -2.425 5.191 347 HG21 THR 48 HG21 THR 48 1.637 -0.048 4.113 348 HG22 THR 48 HG22 THR 48 3.174 -0.017 3.252 349 HG23 THR 48 HG23 THR 48 3.051 0.697 4.860 350 H ALA 49 HN ALA 49 0.790 -3.616 6.002 351 HA ALA 49 HA ALA 49 -1.372 -2.458 4.673 352 HB1 ALA 49 HB1 ALA 49 -2.593 -4.473 5.212 353 HB2 ALA 49 HB2 ALA 49 -1.434 -4.871 6.483 354 HB3 ALA 49 HB3 ALA 49 -0.928 -4.878 4.793 355 H ALA 50 HN ALA 50 -0.684 -2.687 8.100 356 HA ALA 50 HA ALA 50 -3.268 -2.233 9.108 357 HB1 ALA 50 HB1 ALA 50 -1.461 -3.133 10.479 358 HB2 ALA 50 HB2 ALA 50 -2.148 -1.682 11.211 359 HB3 ALA 50 HB3 ALA 50 -0.603 -1.596 10.366 360 H ARG 51 HN ARG 51 -0.904 -0.134 7.749 361 HA ARG 51 HA ARG 51 -1.611 2.286 9.031 362 HB2 ARG 51 HB2 ARG 51 -0.271 1.807 6.365 363 HB3 ARG 51 HB1 ARG 51 -0.354 3.352 7.188 364 HG2 ARG 51 HG2 ARG 51 0.997 0.895 8.265 365 HG3 ARG 51 HG1 ARG 51 1.808 2.247 7.472 366 HD2 ARG 51 HD2 ARG 51 1.065 3.757 9.211 367 HD3 ARG 51 HD1 ARG 51 0.157 2.461 9.988 368 HE ARG 51 HE ARG 51 2.867 1.713 9.744 369 HH11 ARG 51 HH11 ARG 51 0.816 3.926 11.527 370 HH12 ARG 51 HH12 ARG 51 1.839 3.936 12.938 371 HH21 ARG 51 HH21 ARG 51 4.191 1.701 11.610 372 HH22 ARG 51 HH22 ARG 51 3.745 2.654 12.989 373 H LEU 52 HN LEU 52 -2.780 0.656 6.160 374 HA LEU 52 HA LEU 52 -4.254 2.966 5.243 375 HB2 LEU 52 HB2 LEU 52 -4.333 0.121 4.248 376 HB3 LEU 52 HB1 LEU 52 -4.981 1.526 3.427 377 HG LEU 52 HG LEU 52 -2.052 1.058 4.001 378 HD11 LEU 52 HD11 LEU 52 -2.859 -0.513 2.354 379 HD12 LEU 52 HD12 LEU 52 -1.873 0.723 1.570 380 HD13 LEU 52 HD13 LEU 52 -3.632 0.789 1.452 381 HD21 LEU 52 HD21 LEU 52 -1.708 2.961 2.492 382 HD22 LEU 52 HD22 LEU 52 -2.612 3.420 3.935 383 HD23 LEU 52 HD23 LEU 52 -3.453 3.197 2.400 384 H GLU 53 HN GLU 53 -4.975 -0.211 6.597 385 HA GLU 53 HA GLU 53 -7.737 -0.148 6.477 386 HB2 GLU 53 HB2 GLU 53 -6.023 -1.420 8.617 387 HB3 GLU 53 HB1 GLU 53 -7.697 -1.822 8.272 388 HG2 GLU 53 HG2 GLU 53 -6.998 -2.516 5.995 389 HG3 GLU 53 HG1 GLU 53 -5.325 -2.261 6.484 390 H SER 54 HN SER 54 -5.671 0.776 9.232 391 HA SER 54 HA SER 54 -7.819 1.551 10.899 392 HB2 SER 54 HB2 SER 54 -6.015 2.587 12.299 393 HB3 SER 54 HB1 SER 54 -5.708 0.901 11.870 394 HG SER 54 HG SER 54 -4.101 1.497 10.578 395 H ARG 55 HN ARG 55 -6.182 3.168 8.352 396 HA ARG 55 HA ARG 55 -6.638 5.833 9.341 397 HB2 ARG 55 HB2 ARG 55 -4.684 5.208 7.915 398 HB3 ARG 55 HB1 ARG 55 -5.796 4.953 6.578 399 HG2 ARG 55 HG2 ARG 55 -6.383 7.270 6.530 400 HG3 ARG 55 HG1 ARG 55 -5.474 7.579 8.011 401 HD2 ARG 55 HD2 ARG 55 -4.365 6.759 5.327 402 HD3 ARG 55 HD1 ARG 55 -4.153 8.311 6.139 403 HE ARG 55 HE ARG 55 -3.202 6.031 7.625 404 HH11 ARG 55 HH11 ARG 55 -2.380 8.519 5.287 405 HH12 ARG 55 HH12 ARG 55 -0.680 8.439 5.641 406 HH21 ARG 55 HH21 ARG 55 -0.978 5.924 8.071 407 HH22 ARG 55 HH22 ARG 55 0.135 6.951 7.216 408 H TYR 56 HN TYR 56 -7.935 3.880 6.651 409 HA TYR 56 HA TYR 56 -9.947 5.950 6.181 410 HB2 TYR 56 HB2 TYR 56 -9.240 3.468 4.605 411 HB3 TYR 56 HB1 TYR 56 -10.482 4.626 4.141 412 HD1 TYR 56 HD2 TYR 56 -9.766 7.039 3.736 413 HD2 TYR 56 HD1 TYR 56 -6.997 3.818 3.987 414 HE1 TYR 56 HE2 TYR 56 -8.082 8.403 2.576 415 HE2 TYR 56 HE1 TYR 56 -5.307 5.176 2.831 416 HH TYR 56 HH TYR 56 -5.658 8.522 2.322 417 H GLY 57 HN GLY 57 -9.678 3.192 8.007 418 HA2 GLY 57 HA2 GLY 57 -11.266 1.987 9.177 419 HA3 GLY 57 HA1 GLY 57 -12.504 3.025 8.474 420 H VAL 58 HN VAL 58 -10.104 0.879 7.022 421 HA VAL 58 HA VAL 58 -12.291 -0.613 5.726 422 HB VAL 58 HB VAL 58 -10.937 -0.870 3.715 423 HG11 VAL 58 HG11 VAL 58 -11.151 2.019 4.542 424 HG12 VAL 58 HG12 VAL 58 -12.421 1.046 3.797 425 HG13 VAL 58 HG13 VAL 58 -10.958 1.435 2.889 426 HG21 VAL 58 HG21 VAL 58 -8.831 0.391 3.421 427 HG22 VAL 58 HG22 VAL 58 -8.714 -0.839 4.679 428 HG23 VAL 58 HG23 VAL 58 -8.897 0.858 5.123 429 H SER 59 HN SER 59 -10.991 -2.643 4.582 430 HA SER 59 HA SER 59 -8.839 -3.615 6.231 431 HB2 SER 59 HB2 SER 59 -10.997 -4.317 7.396 432 HB3 SER 59 HB1 SER 59 -11.319 -5.335 5.987 433 HG SER 59 HG SER 59 -8.814 -5.528 7.223 434 H ILE 60 HN ILE 60 -7.505 -4.892 5.085 435 HA ILE 60 HA ILE 60 -8.183 -5.275 2.268 436 HB ILE 60 HB ILE 60 -5.530 -5.624 3.681 437 HG12 ILE 60 HG12 ILE 60 -6.498 -3.368 1.901 438 HG13 ILE 60 HG11 ILE 60 -6.384 -3.285 3.658 439 HG21 ILE 60 HG21 ILE 60 -5.683 -6.992 1.678 440 HG22 ILE 60 HG22 ILE 60 -4.581 -5.642 1.413 441 HG23 ILE 60 HG23 ILE 60 -6.210 -5.596 0.741 442 HD11 ILE 60 HD11 ILE 60 -4.504 -2.195 2.573 443 HD12 ILE 60 HD12 ILE 60 -4.084 -3.705 1.766 444 HD13 ILE 60 HD13 ILE 60 -3.976 -3.584 3.523 445 HA PRO 61 HA PRO 61 -9.352 -9.511 3.144 446 HB2 PRO 61 HB2 PRO 61 -8.878 -9.688 0.202 447 HB3 PRO 61 HB1 PRO 61 -10.273 -10.212 1.154 448 HG2 PRO 61 HG2 PRO 61 -10.393 -8.008 -0.324 449 HG3 PRO 61 HG1 PRO 61 -11.159 -8.071 1.275 450 HD2 PRO 61 HD2 PRO 61 -8.609 -6.747 0.446 451 HD3 PRO 61 HD1 PRO 61 -9.826 -6.216 1.627 452 H ASP 62 HN ASP 62 -8.093 -11.096 3.786 453 HA ASP 62 HA ASP 62 -5.311 -10.994 3.600 454 HB2 ASP 62 HB2 ASP 62 -5.358 -13.217 4.703 455 HB3 ASP 62 HB1 ASP 62 -6.386 -12.029 5.487 456 H ASP 63 HN ASP 63 -7.643 -12.828 1.712 457 HA ASP 63 HA ASP 63 -5.639 -14.401 0.390 458 HB2 ASP 63 HB2 ASP 63 -7.978 -15.177 0.632 459 HB3 ASP 63 HB1 ASP 63 -8.509 -13.881 -0.433 460 H VAL 64 HN VAL 64 -7.525 -11.529 -0.430 461 HA VAL 64 HA VAL 64 -6.552 -11.358 -3.102 462 HB VAL 64 HB VAL 64 -7.841 -9.180 -1.435 463 HG11 VAL 64 HG11 VAL 64 -7.586 -9.490 -4.425 464 HG12 VAL 64 HG12 VAL 64 -6.727 -8.319 -3.423 465 HG13 VAL 64 HG13 VAL 64 -8.479 -8.219 -3.592 466 HG21 VAL 64 HG21 VAL 64 -9.260 -11.145 -1.516 467 HG22 VAL 64 HG22 VAL 64 -9.086 -11.221 -3.269 468 HG23 VAL 64 HG23 VAL 64 -9.932 -9.864 -2.527 469 H ALA 65 HN ALA 65 -5.376 -10.317 -0.024 470 HA ALA 65 HA ALA 65 -3.623 -8.268 -0.818 471 HB1 ALA 65 HB1 ALA 65 -2.432 -8.721 1.272 472 HB2 ALA 65 HB2 ALA 65 -3.326 -10.231 1.448 473 HB3 ALA 65 HB3 ALA 65 -4.178 -8.690 1.517 474 H GLY 66 HN GLY 66 -3.471 -11.690 -1.203 475 HA2 GLY 66 HA2 GLY 66 -0.629 -11.632 -1.904 476 HA3 GLY 66 HA1 GLY 66 -1.639 -13.065 -1.772 477 H ARG 67 HN ARG 67 -3.482 -10.991 -3.436 478 HA ARG 67 HA ARG 67 -2.669 -12.160 -5.994 479 HB2 ARG 67 HB2 ARG 67 -5.225 -11.097 -4.902 480 HB3 ARG 67 HB1 ARG 67 -4.952 -10.919 -6.627 481 HG2 ARG 67 HG2 ARG 67 -6.183 -12.914 -6.327 482 HG3 ARG 67 HG1 ARG 67 -4.532 -13.384 -6.722 483 HD2 ARG 67 HD2 ARG 67 -5.355 -13.147 -3.863 484 HD3 ARG 67 HD1 ARG 67 -5.828 -14.570 -4.788 485 HE ARG 67 HE ARG 67 -3.035 -14.025 -5.028 486 HH11 ARG 67 HH11 ARG 67 -5.457 -15.402 -2.898 487 HH12 ARG 67 HH12 ARG 67 -4.344 -16.488 -2.126 488 HH21 ARG 67 HH21 ARG 67 -1.562 -15.497 -4.044 489 HH22 ARG 67 HH22 ARG 67 -2.134 -16.557 -2.777 490 H VAL 68 HN VAL 68 -2.380 -9.289 -4.265 491 HA VAL 68 HA VAL 68 -2.233 -7.599 -6.631 492 HB VAL 68 HB VAL 68 -1.758 -5.750 -5.119 493 HG11 VAL 68 HG11 VAL 68 -3.872 -5.729 -3.865 494 HG12 VAL 68 HG12 VAL 68 -4.055 -7.458 -4.164 495 HG13 VAL 68 HG13 VAL 68 -4.084 -6.321 -5.513 496 HG21 VAL 68 HG21 VAL 68 -1.735 -6.063 -2.682 497 HG22 VAL 68 HG22 VAL 68 -0.407 -6.921 -3.464 498 HG23 VAL 68 HG23 VAL 68 -1.827 -7.809 -2.913 499 H ASP 69 HN ASP 69 -0.268 -6.326 -7.038 500 HA ASP 69 HA ASP 69 2.200 -7.585 -6.103 501 HB2 ASP 69 HB2 ASP 69 1.682 -8.843 -8.081 502 HB3 ASP 69 HB1 ASP 69 1.303 -7.379 -8.975 503 H THR 70 HN THR 70 0.783 -5.081 -8.181 504 HA THR 70 HA THR 70 3.049 -3.316 -7.536 505 HB THR 70 HB THR 70 2.166 -1.877 -9.377 506 HG1 THR 70 HG1 THR 70 0.367 -4.078 -9.704 507 HG21 THR 70 HG21 THR 70 2.760 -4.746 -10.100 508 HG22 THR 70 HG22 THR 70 3.947 -3.472 -9.816 509 HG23 THR 70 HG23 THR 70 2.861 -3.374 -11.203 510 HA PRO 71 HA PRO 71 0.752 -0.727 -4.758 511 HB2 PRO 71 HB2 PRO 71 1.904 1.526 -6.334 512 HB3 PRO 71 HB1 PRO 71 1.936 1.243 -4.591 513 HG2 PRO 71 HG2 PRO 71 4.107 0.814 -6.048 514 HG3 PRO 71 HG1 PRO 71 3.664 -0.307 -4.743 515 HD2 PRO 71 HD2 PRO 71 3.345 -0.620 -7.702 516 HD3 PRO 71 HD1 PRO 71 3.801 -1.827 -6.481 517 H ARG 72 HN ARG 72 0.705 0.014 -8.208 518 HA ARG 72 HA ARG 72 -1.507 1.675 -8.372 519 HB2 ARG 72 HB2 ARG 72 -0.017 0.985 -10.262 520 HB3 ARG 72 HB1 ARG 72 -0.845 -0.561 -10.289 521 HG2 ARG 72 HG2 ARG 72 -1.776 0.784 -12.010 522 HG3 ARG 72 HG1 ARG 72 -2.976 0.660 -10.723 523 HD2 ARG 72 HD2 ARG 72 -2.987 2.932 -11.375 524 HD3 ARG 72 HD1 ARG 72 -2.071 2.875 -9.867 525 HE ARG 72 HE ARG 72 -0.230 2.613 -11.926 526 HH11 ARG 72 HH11 ARG 72 -2.540 5.058 -10.873 527 HH12 ARG 72 HH12 ARG 72 -1.590 6.383 -11.486 528 HH21 ARG 72 HH21 ARG 72 1.000 4.361 -12.739 529 HH22 ARG 72 HH22 ARG 72 0.398 5.989 -12.573 530 H GLU 73 HN GLU 73 -1.429 -1.880 -8.511 531 HA GLU 73 HA GLU 73 -4.193 -2.301 -8.740 532 HB2 GLU 73 HB2 GLU 73 -2.091 -4.081 -7.485 533 HB3 GLU 73 HB1 GLU 73 -3.709 -4.596 -7.948 534 HG2 GLU 73 HG2 GLU 73 -3.228 -4.302 -10.250 535 HG3 GLU 73 HG1 GLU 73 -1.714 -3.466 -9.890 536 H LEU 74 HN LEU 74 -2.101 -2.008 -5.928 537 HA LEU 74 HA LEU 74 -3.971 -2.743 -3.959 538 HB2 LEU 74 HB2 LEU 74 -1.407 -2.439 -3.824 539 HB3 LEU 74 HB1 LEU 74 -1.754 -0.748 -3.535 540 HG LEU 74 HG LEU 74 -1.308 -2.135 -1.493 541 HD11 LEU 74 HD11 LEU 74 -3.985 -0.775 -1.645 542 HD12 LEU 74 HD12 LEU 74 -2.434 0.006 -1.337 543 HD13 LEU 74 HD13 LEU 74 -3.093 -1.139 -0.168 544 HD21 LEU 74 HD21 LEU 74 -4.011 -3.297 -2.144 545 HD22 LEU 74 HD22 LEU 74 -3.100 -3.563 -0.657 546 HD23 LEU 74 HD23 LEU 74 -2.472 -4.157 -2.195 547 H LEU 75 HN LEU 75 -3.020 0.445 -5.209 548 HA LEU 75 HA LEU 75 -4.795 1.982 -3.669 549 HB2 LEU 75 HB2 LEU 75 -2.797 2.696 -5.147 550 HB3 LEU 75 HB1 LEU 75 -3.946 2.687 -6.467 551 HG LEU 75 HG LEU 75 -4.390 4.351 -3.992 552 HD11 LEU 75 HD11 LEU 75 -2.981 5.161 -6.533 553 HD12 LEU 75 HD12 LEU 75 -2.223 4.959 -4.953 554 HD13 LEU 75 HD13 LEU 75 -3.420 6.231 -5.202 555 HD21 LEU 75 HD21 LEU 75 -5.815 5.653 -5.474 556 HD22 LEU 75 HD22 LEU 75 -6.326 3.966 -5.456 557 HD23 LEU 75 HD23 LEU 75 -5.408 4.595 -6.824 558 H ASP 76 HN ASP 76 -5.108 0.701 -6.991 559 HA ASP 76 HA ASP 76 -7.663 1.640 -7.562 560 HB2 ASP 76 HB2 ASP 76 -6.157 -0.790 -8.499 561 HB3 ASP 76 HB1 ASP 76 -7.786 -0.458 -9.060 562 H LEU 77 HN LEU 77 -6.677 -1.326 -5.927 563 HA LEU 77 HA LEU 77 -9.174 -2.590 -5.852 564 HB2 LEU 77 HB2 LEU 77 -7.089 -3.758 -5.394 565 HB3 LEU 77 HB1 LEU 77 -6.836 -2.792 -3.954 566 HG LEU 77 HG LEU 77 -8.900 -3.810 -2.984 567 HD11 LEU 77 HD11 LEU 77 -9.984 -4.462 -5.070 568 HD12 LEU 77 HD12 LEU 77 -9.781 -5.845 -3.995 569 HD13 LEU 77 HD13 LEU 77 -8.702 -5.635 -5.373 570 HD21 LEU 77 HD21 LEU 77 -6.676 -4.629 -2.395 571 HD22 LEU 77 HD22 LEU 77 -6.711 -5.730 -3.771 572 HD23 LEU 77 HD23 LEU 77 -7.847 -5.950 -2.441 573 H ILE 78 HN ILE 78 -7.552 -0.645 -3.338 574 HA ILE 78 HA ILE 78 -9.734 -0.871 -1.535 575 HB ILE 78 HB ILE 78 -7.453 1.116 -1.521 576 HG12 ILE 78 HG12 ILE 78 -7.849 -1.559 -0.156 577 HG13 ILE 78 HG11 ILE 78 -6.672 -1.188 -1.410 578 HG21 ILE 78 HG21 ILE 78 -9.376 0.348 0.678 579 HG22 ILE 78 HG22 ILE 78 -9.348 1.891 -0.176 580 HG23 ILE 78 HG23 ILE 78 -7.988 1.425 0.847 581 HD11 ILE 78 HD11 ILE 78 -5.548 0.352 0.130 582 HD12 ILE 78 HD12 ILE 78 -5.604 -1.299 0.746 583 HD13 ILE 78 HD13 ILE 78 -6.707 -0.080 1.387 584 H ASN 79 HN ASN 79 -8.864 1.494 -3.997 585 HA ASN 79 HA ASN 79 -10.847 3.411 -3.265 586 HB2 ASN 79 HB2 ASN 79 -9.261 2.919 -5.769 587 HB3 ASN 79 HB1 ASN 79 -10.615 4.040 -5.796 588 HD21 ASN 79 HD21 ASN 79 -8.408 3.530 -3.087 589 HD22 ASN 79 HD22 ASN 79 -7.712 5.113 -3.137 590 H GLY 80 HN GLY 80 -10.785 0.704 -5.554 591 HA2 GLY 80 HA2 GLY 80 -13.360 1.109 -6.625 592 HA3 GLY 80 HA1 GLY 80 -12.466 -0.403 -6.646 593 H ALA 81 HN ALA 81 -12.260 -0.609 -3.767 594 HA ALA 81 HA ALA 81 -14.711 -1.930 -3.222 595 HB1 ALA 81 HB1 ALA 81 -12.514 -1.170 -1.295 596 HB2 ALA 81 HB2 ALA 81 -12.548 -2.641 -2.268 597 HB3 ALA 81 HB3 ALA 81 -13.771 -2.377 -1.024 598 H LEU 82 HN LEU 82 -13.331 1.171 -2.247 599 HA LEU 82 HA LEU 82 -15.451 1.829 -0.451 600 HB2 LEU 82 HB2 LEU 82 -13.295 3.490 -1.744 601 HB3 LEU 82 HB1 LEU 82 -14.443 4.137 -0.590 602 HG LEU 82 HG LEU 82 -12.463 1.931 -0.024 603 HD11 LEU 82 HD11 LEU 82 -11.401 4.123 -0.327 604 HD12 LEU 82 HD12 LEU 82 -11.320 3.577 1.347 605 HD13 LEU 82 HD13 LEU 82 -12.491 4.810 0.878 606 HD21 LEU 82 HD21 LEU 82 -14.419 3.370 1.759 607 HD22 LEU 82 HD22 LEU 82 -13.152 2.284 2.324 608 HD23 LEU 82 HD23 LEU 82 -14.457 1.665 1.311 609 H ALA 83 HN ALA 83 -14.759 2.520 -3.825 610 HA ALA 83 HA ALA 83 -16.755 4.487 -4.210 611 HB1 ALA 83 HB1 ALA 83 -15.512 2.659 -6.255 612 HB2 ALA 83 HB2 ALA 83 -14.824 4.182 -5.695 613 HB3 ALA 83 HB3 ALA 83 -16.352 4.177 -6.575 614 H GLU 84 HN GLU 84 -17.102 1.248 -3.567 615 HA GLU 84 HA GLU 84 -19.400 0.800 -5.280 616 HB2 GLU 84 HB2 GLU 84 -17.715 -0.973 -4.852 617 HB3 GLU 84 HB1 GLU 84 -18.178 -0.974 -3.160 618 HG2 GLU 84 HG2 GLU 84 -20.367 -1.781 -3.695 619 HG3 GLU 84 HG1 GLU 84 -20.048 -1.613 -5.422 620 H ALA 85 HN ALA 85 -18.803 2.222 -2.330 621 HA ALA 85 HA ALA 85 -21.551 1.700 -1.406 622 HB1 ALA 85 HB1 ALA 85 -20.771 2.093 0.878 623 HB2 ALA 85 HB2 ALA 85 -19.128 2.326 0.281 624 HB3 ALA 85 HB3 ALA 85 -19.908 0.751 0.129 625 H ALA 86 HN ALA 86 -22.528 3.477 -0.194 626 HA ALA 86 HA ALA 86 -23.315 5.597 -0.075 627 HB1 ALA 86 HB1 ALA 86 -21.692 7.384 0.273 628 HB2 ALA 86 HB2 ALA 86 -20.398 6.328 -0.298 629 HB3 ALA 86 HB3 ALA 86 -21.259 5.945 1.193 630 H28 SXO 87 H28B SXO 87 6.708 -12.304 5.920 631 H28A SXO 87 H28A SXO 87 7.674 -13.596 6.633 632 H30 SXO 87 H30A SXO 87 4.348 -13.353 8.366 633 H30A SXO 87 H30C SXO 87 6.078 -13.137 8.612 634 H30B SXO 87 H30B SXO 87 5.190 -12.022 7.575 635 H31 SXO 87 H31A SXO 87 4.616 -14.488 4.853 636 H31A SXO 87 H31B SXO 87 4.165 -12.891 5.448 637 H31B SXO 87 H31C SXO 87 3.504 -14.336 6.215 638 H32 SXO 87 H32A SXO 87 6.417 -15.385 8.071 639 HO33 SXO 87 H33A SXO 87 6.089 -17.021 6.077 640 HN36 SXO 87 H36A SXO 87 3.998 -14.772 8.824 641 H37 SXO 87 H37A SXO 87 2.482 -17.251 8.757 642 H37A SXO 87 H37B SXO 87 2.232 -15.881 9.840 643 H38 SXO 87 H38B SXO 87 0.348 -16.069 8.348 644 H38A SXO 87 H38A SXO 87 1.419 -16.072 6.946 645 HN41 SXO 87 H41A SXO 87 0.230 -14.361 6.129 646 H42 SXO 87 H42A SXO 87 -0.422 -11.915 7.085 647 H42A SXO 87 H42B SXO 87 1.301 -11.769 6.746 648 H43 SXO 87 H43B SXO 87 0.798 -12.623 4.424 649 H43A SXO 87 H43A SXO 87 -0.915 -12.397 4.806 650 H2 SXO 87 H2A SXO 87 0.051 -9.540 1.053 651 H2A SXO 87 H2B SXO 87 1.406 -9.265 2.143 652 H3 SXO 87 H3B SXO 87 -1.356 -8.148 2.603 653 H3A SXO 87 H3A SXO 87 0.126 -7.741 3.473 654 H4 SXO 87 H4A SXO 87 -0.477 -7.180 0.567 655 H4A SXO 87 H4B SXO 87 1.065 -6.849 1.355 656 H5 SXO 87 H5B SXO 87 -1.574 -5.665 2.201 657 H5A SXO 87 H5A SXO 87 0.019 -5.260 2.840 658 H6 SXO 87 H6A SXO 87 -0.972 -4.785 0.030 659 H6A SXO 87 H6B SXO 87 0.678 -4.489 0.572 660 H7 SXO 87 H7A SXO 87 -1.747 -3.185 1.805 661 H7A SXO 87 H7B SXO 87 -0.772 -2.447 0.523 662 H8 SXO 87 H8C SXO 87 0.222 -3.302 3.240 663 H8A SXO 87 H8A SXO 87 -0.097 -1.643 2.731 664 H8B SXO 87 H8B SXO 87 1.198 -2.566 1.969 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -18.539 13.563 -1.988 2 H2 MET 1 HT2 MET 1 -18.143 14.521 -3.330 3 H3 MET 1 HT3 MET 1 -17.978 15.151 -1.764 4 HA MET 1 HA MET 1 -16.394 12.970 -2.986 5 HB2 MET 1 HB2 MET 1 -15.643 15.731 -2.000 6 HB3 MET 1 HB1 MET 1 -14.496 14.521 -2.552 7 HG2 MET 1 HG2 MET 1 -15.447 14.590 -4.779 8 HG3 MET 1 HG1 MET 1 -16.672 15.736 -4.237 9 HE1 MET 1 HE1 MET 1 -14.408 17.937 -6.546 10 HE2 MET 1 HE2 MET 1 -16.035 17.331 -6.243 11 HE3 MET 1 HE3 MET 1 -14.770 16.228 -6.785 12 H ALA 2 HN ALA 2 -14.865 11.972 -1.614 13 HA ALA 2 HA ALA 2 -15.304 12.350 1.268 14 HB1 ALA 2 HB1 ALA 2 -16.819 10.569 0.573 15 HB2 ALA 2 HB2 ALA 2 -15.527 9.926 1.586 16 HB3 ALA 2 HB3 ALA 2 -15.476 9.693 -0.162 17 H THR 3 HN THR 3 -13.672 11.137 2.563 18 HA THR 3 HA THR 3 -11.053 11.534 1.498 19 HB THR 3 HB THR 3 -11.494 11.906 3.873 20 HG1 THR 3 HG1 THR 3 -9.385 11.387 3.464 21 HG21 THR 3 HG21 THR 3 -11.893 10.061 5.414 22 HG22 THR 3 HG22 THR 3 -11.935 8.923 4.067 23 HG23 THR 3 HG23 THR 3 -13.185 10.159 4.217 24 H LEU 4 HN LEU 4 -9.718 10.105 0.555 25 HA LEU 4 HA LEU 4 -10.394 7.261 0.502 26 HB2 LEU 4 HB2 LEU 4 -10.109 8.981 -1.969 27 HB3 LEU 4 HB1 LEU 4 -10.239 7.235 -1.971 28 HG LEU 4 HG LEU 4 -12.404 9.087 -0.969 29 HD11 LEU 4 HD11 LEU 4 -12.130 7.684 -3.624 30 HD12 LEU 4 HD12 LEU 4 -12.087 9.426 -3.345 31 HD13 LEU 4 HD13 LEU 4 -13.573 8.523 -3.053 32 HD21 LEU 4 HD21 LEU 4 -13.814 7.111 -1.058 33 HD22 LEU 4 HD22 LEU 4 -12.436 6.835 0.008 34 HD23 LEU 4 HD23 LEU 4 -12.449 6.141 -1.613 35 H LEU 5 HN LEU 5 -8.633 6.258 -1.190 36 HA LEU 5 HA LEU 5 -6.117 6.881 0.122 37 HB2 LEU 5 HB2 LEU 5 -7.160 4.548 -0.458 38 HB3 LEU 5 HB1 LEU 5 -6.480 4.828 -2.046 39 HG LEU 5 HG LEU 5 -4.830 4.835 0.479 40 HD11 LEU 5 HD11 LEU 5 -4.157 2.563 -0.140 41 HD12 LEU 5 HD12 LEU 5 -5.341 2.574 -1.446 42 HD13 LEU 5 HD13 LEU 5 -5.879 2.661 0.230 43 HD21 LEU 5 HD21 LEU 5 -2.966 4.497 -1.045 44 HD22 LEU 5 HD22 LEU 5 -3.833 5.985 -1.431 45 HD23 LEU 5 HD23 LEU 5 -4.068 4.543 -2.421 46 H THR 6 HN THR 6 -4.650 8.257 -0.736 47 HA THR 6 HA THR 6 -4.799 8.800 -3.624 48 HB THR 6 HB THR 6 -3.792 10.962 -3.228 49 HG1 THR 6 HG1 THR 6 -3.881 10.783 -0.438 50 HG21 THR 6 HG21 THR 6 -6.013 10.479 -1.234 51 HG22 THR 6 HG22 THR 6 -6.219 10.850 -2.946 52 HG23 THR 6 HG23 THR 6 -5.514 12.048 -1.863 53 H THR 7 HN THR 7 -2.667 9.337 -4.636 54 HA THR 7 HA THR 7 -0.741 7.368 -4.269 55 HB THR 7 HB THR 7 -0.064 10.092 -5.364 56 HG1 THR 7 HG1 THR 7 -1.384 8.021 -6.816 57 HG21 THR 7 HG21 THR 7 1.749 8.480 -5.254 58 HG22 THR 7 HG22 THR 7 1.283 8.739 -6.935 59 HG23 THR 7 HG23 THR 7 0.764 7.281 -6.089 60 H ASP 8 HN ASP 8 -0.937 10.633 -2.925 61 HA ASP 8 HA ASP 8 1.618 10.576 -1.674 62 HB2 ASP 8 HB2 ASP 8 -0.802 12.319 -1.188 63 HB3 ASP 8 HB1 ASP 8 0.753 12.553 -0.393 64 H ASP 9 HN ASP 9 -1.677 9.871 -0.559 65 HA ASP 9 HA ASP 9 -1.046 9.390 2.143 66 HB2 ASP 9 HB2 ASP 9 -3.252 8.460 0.343 67 HB3 ASP 9 HB1 ASP 9 -3.077 7.743 1.938 68 H LEU 10 HN LEU 10 -1.092 7.260 -0.671 69 HA LEU 10 HA LEU 10 -0.387 4.890 0.670 70 HB2 LEU 10 HB2 LEU 10 -1.278 5.008 -1.646 71 HB3 LEU 10 HB1 LEU 10 0.249 5.685 -2.171 72 HG LEU 10 HG LEU 10 1.394 3.596 -1.513 73 HD11 LEU 10 HD11 LEU 10 -1.395 2.614 -0.925 74 HD12 LEU 10 HD12 LEU 10 -0.106 2.873 0.252 75 HD13 LEU 10 HD13 LEU 10 0.058 1.613 -0.973 76 HD21 LEU 10 HD21 LEU 10 0.638 3.897 -3.809 77 HD22 LEU 10 HD22 LEU 10 -0.935 3.216 -3.391 78 HD23 LEU 10 HD23 LEU 10 0.510 2.209 -3.319 79 H ARG 11 HN ARG 11 1.566 7.343 -0.982 80 HA ARG 11 HA ARG 11 4.092 6.263 -0.611 81 HB2 ARG 11 HB2 ARG 11 3.688 8.240 -1.991 82 HB3 ARG 11 HB1 ARG 11 3.274 9.177 -0.561 83 HG2 ARG 11 HG2 ARG 11 5.623 8.682 0.265 84 HG3 ARG 11 HG1 ARG 11 5.958 8.103 -1.367 85 HD2 ARG 11 HD2 ARG 11 4.950 10.859 -0.671 86 HD3 ARG 11 HD1 ARG 11 6.624 10.449 -1.040 87 HE ARG 11 HE ARG 11 5.456 9.602 -3.250 88 HH11 ARG 11 HH11 ARG 11 4.846 12.539 -1.449 89 HH12 ARG 11 HH12 ARG 11 4.397 13.454 -2.854 90 HH21 ARG 11 HH21 ARG 11 4.898 10.829 -5.118 91 HH22 ARG 11 HH22 ARG 11 4.446 12.500 -4.928 92 H ARG 12 HN ARG 12 2.345 8.514 1.542 93 HA ARG 12 HA ARG 12 4.426 8.632 3.460 94 HB2 ARG 12 HB2 ARG 12 2.894 9.847 4.852 95 HB3 ARG 12 HB1 ARG 12 2.665 10.372 3.189 96 HG2 ARG 12 HG2 ARG 12 0.678 9.009 2.993 97 HG3 ARG 12 HG1 ARG 12 0.943 8.366 4.612 98 HD2 ARG 12 HD2 ARG 12 0.386 11.249 3.927 99 HD3 ARG 12 HD1 ARG 12 -0.770 10.107 4.612 100 HE ARG 12 HE ARG 12 1.488 10.194 6.275 101 HH11 ARG 12 HH11 ARG 12 -1.249 12.197 5.331 102 HH12 ARG 12 HH12 ARG 12 -1.213 13.131 6.796 103 HH21 ARG 12 HH21 ARG 12 1.548 11.420 8.168 104 HH22 ARG 12 HH22 ARG 12 0.396 12.709 8.416 105 H ALA 13 HN ALA 13 1.747 6.471 2.981 106 HA ALA 13 HA ALA 13 1.564 5.412 5.578 107 HB1 ALA 13 HB1 ALA 13 0.404 3.535 4.549 108 HB2 ALA 13 HB2 ALA 13 0.971 4.045 2.959 109 HB3 ALA 13 HB3 ALA 13 -0.149 5.065 3.863 110 H LEU 14 HN LEU 14 3.434 4.357 2.750 111 HA LEU 14 HA LEU 14 4.633 2.120 3.964 112 HB2 LEU 14 HB2 LEU 14 5.293 3.829 1.599 113 HB3 LEU 14 HB1 LEU 14 6.500 2.702 2.183 114 HG LEU 14 HG LEU 14 5.248 1.727 0.341 115 HD11 LEU 14 HD11 LEU 14 4.543 -0.353 1.392 116 HD12 LEU 14 HD12 LEU 14 4.544 0.436 2.969 117 HD13 LEU 14 HD13 LEU 14 6.055 0.235 2.082 118 HD21 LEU 14 HD21 LEU 14 2.814 2.147 2.067 119 HD22 LEU 14 HD22 LEU 14 2.856 1.203 0.579 120 HD23 LEU 14 HD23 LEU 14 3.169 2.938 0.530 121 H VAL 15 HN VAL 15 5.636 5.487 3.747 122 HA VAL 15 HA VAL 15 8.197 5.177 4.896 123 HB VAL 15 HB VAL 15 6.429 7.633 4.824 124 HG11 VAL 15 HG11 VAL 15 8.229 7.809 6.472 125 HG12 VAL 15 HG12 VAL 15 8.480 8.906 5.115 126 HG13 VAL 15 HG13 VAL 15 9.411 7.412 5.225 127 HG21 VAL 15 HG21 VAL 15 7.738 8.261 2.842 128 HG22 VAL 15 HG22 VAL 15 6.844 6.762 2.591 129 HG23 VAL 15 HG23 VAL 15 8.578 6.710 2.911 130 H GLU 16 HN GLU 16 5.140 6.381 6.305 131 HA GLU 16 HA GLU 16 6.345 6.713 8.881 132 HB2 GLU 16 HB2 GLU 16 3.463 6.912 8.013 133 HB3 GLU 16 HB1 GLU 16 4.086 7.419 9.576 134 HG2 GLU 16 HG2 GLU 16 5.462 9.102 8.531 135 HG3 GLU 16 HG1 GLU 16 4.966 8.556 6.931 136 H SER 17 HN SER 17 5.029 4.034 7.297 137 HA SER 17 HA SER 17 4.114 2.673 9.672 138 HB2 SER 17 HB2 SER 17 3.176 2.101 7.462 139 HB3 SER 17 HB1 SER 17 4.769 1.583 6.918 140 HG SER 17 HG SER 17 4.177 -0.290 7.650 141 H ALA 18 HN ALA 18 7.017 2.729 7.672 142 HA ALA 18 HA ALA 18 8.307 0.706 9.298 143 HB1 ALA 18 HB1 ALA 18 10.181 0.951 7.745 144 HB2 ALA 18 HB2 ALA 18 9.375 2.319 6.977 145 HB3 ALA 18 HB3 ALA 18 8.663 0.708 6.884 146 H GLY 19 HN GLY 19 8.725 4.159 8.583 147 HA2 GLY 19 HA2 GLY 19 9.338 5.760 10.225 148 HA3 GLY 19 HA1 GLY 19 10.009 4.461 11.201 149 H GLU 20 HN GLU 20 10.513 6.370 8.279 150 HA GLU 20 HA GLU 20 13.090 5.469 7.662 151 HB2 GLU 20 HB2 GLU 20 11.856 6.773 6.058 152 HB3 GLU 20 HB1 GLU 20 11.788 8.145 7.160 153 HG2 GLU 20 HG2 GLU 20 14.264 8.288 7.038 154 HG3 GLU 20 HG1 GLU 20 14.231 7.025 5.807 155 H THR 21 HN THR 21 14.916 5.631 8.769 156 HA THR 21 HA THR 21 15.405 8.104 10.278 157 HB THR 21 HB THR 21 16.475 5.450 11.222 158 HG1 THR 21 HG1 THR 21 13.889 6.173 11.197 159 HG21 THR 21 HG21 THR 21 16.502 6.641 13.392 160 HG22 THR 21 HG22 THR 21 15.910 8.091 12.579 161 HG23 THR 21 HG23 THR 21 17.496 7.434 12.171 162 H ASP 22 HN ASP 22 16.114 7.266 7.577 163 HA ASP 22 HA ASP 22 19.020 7.519 7.760 164 HB2 ASP 22 HB2 ASP 22 17.617 5.401 6.109 165 HB3 ASP 22 HB1 ASP 22 19.324 5.803 5.972 166 H GLY 23 HN GLY 23 16.896 6.780 5.024 167 HA2 GLY 23 HA2 GLY 23 16.336 9.200 3.942 168 HA3 GLY 23 HA1 GLY 23 18.020 8.947 3.489 169 H THR 24 HN THR 24 14.736 7.866 3.098 170 HA THR 24 HA THR 24 15.582 5.793 1.182 171 HB THR 24 HB THR 24 12.872 6.164 2.469 172 HG1 THR 24 HG1 THR 24 14.689 5.710 3.933 173 HG21 THR 24 HG21 THR 24 12.821 4.832 0.422 174 HG22 THR 24 HG22 THR 24 12.540 3.806 1.832 175 HG23 THR 24 HG23 THR 24 14.117 3.808 1.040 176 H ASP 25 HN ASP 25 15.716 6.757 -0.796 177 HA ASP 25 HA ASP 25 13.930 8.768 -1.714 178 HB2 ASP 25 HB2 ASP 25 15.858 6.959 -3.178 179 HB3 ASP 25 HB1 ASP 25 14.863 8.152 -4.006 180 H LEU 26 HN LEU 26 11.894 7.816 -1.160 181 HA LEU 26 HA LEU 26 10.984 5.654 -2.919 182 HB2 LEU 26 HB2 LEU 26 10.525 5.656 -0.438 183 HB3 LEU 26 HB1 LEU 26 9.491 7.049 -0.691 184 HG LEU 26 HG LEU 26 8.064 5.669 -2.181 185 HD11 LEU 26 HD11 LEU 26 9.841 3.422 -1.233 186 HD12 LEU 26 HD12 LEU 26 9.733 4.041 -2.880 187 HD13 LEU 26 HD13 LEU 26 8.346 3.234 -2.149 188 HD21 LEU 26 HD21 LEU 26 7.031 4.367 -0.394 189 HD22 LEU 26 HD22 LEU 26 7.485 5.977 0.164 190 HD23 LEU 26 HD23 LEU 26 8.472 4.582 0.600 191 H SER 27 HN SER 27 11.485 8.737 -3.263 192 HA SER 27 HA SER 27 8.931 9.548 -4.384 193 HB2 SER 27 HB2 SER 27 10.673 11.594 -4.906 194 HB3 SER 27 HB1 SER 27 9.726 11.437 -3.423 195 HG SER 27 HG SER 27 12.448 10.992 -3.867 196 H GLY 28 HN GLY 28 11.397 7.701 -5.451 197 HA2 GLY 28 HA2 GLY 28 11.551 8.837 -8.145 198 HA3 GLY 28 HA1 GLY 28 12.515 7.507 -7.521 199 H ASP 29 HN ASP 29 9.027 7.948 -7.461 200 HA ASP 29 HA ASP 29 7.281 6.777 -8.285 201 HB2 ASP 29 HB2 ASP 29 8.260 6.986 -10.512 202 HB3 ASP 29 HB1 ASP 29 9.298 5.596 -10.212 203 H PHE 30 HN PHE 30 6.321 4.637 -8.274 204 HA PHE 30 HA PHE 30 7.734 2.427 -7.176 205 HB2 PHE 30 HB2 PHE 30 6.541 2.440 -4.950 206 HB3 PHE 30 HB1 PHE 30 7.785 3.669 -5.131 207 HD1 PHE 30 HD2 PHE 30 7.204 6.018 -5.277 208 HD2 PHE 30 HD1 PHE 30 4.197 3.045 -4.801 209 HE1 PHE 30 HE2 PHE 30 5.586 7.763 -4.654 210 HE2 PHE 30 HE1 PHE 30 2.573 4.790 -4.186 211 HZ PHE 30 HZ PHE 30 3.265 7.146 -4.108 212 H LEU 31 HN LEU 31 4.819 4.031 -8.099 213 HA LEU 31 HA LEU 31 2.891 2.169 -7.384 214 HB2 LEU 31 HB2 LEU 31 2.948 4.104 -9.689 215 HB3 LEU 31 HB1 LEU 31 1.536 3.168 -9.244 216 HG LEU 31 HG LEU 31 2.919 5.136 -7.419 217 HD11 LEU 31 HD11 LEU 31 1.885 6.267 -9.316 218 HD12 LEU 31 HD12 LEU 31 1.000 6.580 -7.821 219 HD13 LEU 31 HD13 LEU 31 0.368 5.423 -8.996 220 HD21 LEU 31 HD21 LEU 31 0.290 3.680 -7.160 221 HD22 LEU 31 HD22 LEU 31 0.910 4.901 -6.047 222 HD23 LEU 31 HD23 LEU 31 1.751 3.362 -6.225 223 H ASP 32 HN ASP 32 4.914 2.238 -10.288 224 HA ASP 32 HA ASP 32 3.460 -0.053 -11.378 225 HB2 ASP 32 HB2 ASP 32 4.097 1.916 -12.807 226 HB3 ASP 32 HB1 ASP 32 5.781 1.454 -12.601 227 H LEU 33 HN LEU 33 6.183 0.576 -9.496 228 HA LEU 33 HA LEU 33 7.681 -1.755 -10.353 229 HB2 LEU 33 HB2 LEU 33 8.163 0.195 -8.096 230 HB3 LEU 33 HB1 LEU 33 9.255 -1.099 -8.552 231 HG LEU 33 HG LEU 33 8.492 1.220 -10.330 232 HD11 LEU 33 HD11 LEU 33 11.020 0.710 -8.767 233 HD12 LEU 33 HD12 LEU 33 9.817 1.954 -8.424 234 HD13 LEU 33 HD13 LEU 33 10.761 2.028 -9.913 235 HD21 LEU 33 HD21 LEU 33 10.594 -0.921 -10.675 236 HD22 LEU 33 HD22 LEU 33 10.278 0.420 -11.774 237 HD23 LEU 33 HD23 LEU 33 9.064 -0.838 -11.549 238 H ARG 34 HN ARG 34 8.027 -3.597 -9.082 239 HA ARG 34 HA ARG 34 5.767 -4.389 -7.530 240 HB2 ARG 34 HB2 ARG 34 8.423 -5.820 -7.694 241 HB3 ARG 34 HB1 ARG 34 6.853 -6.514 -7.307 242 HG2 ARG 34 HG2 ARG 34 6.094 -6.029 -9.587 243 HG3 ARG 34 HG1 ARG 34 7.692 -5.382 -9.967 244 HD2 ARG 34 HD2 ARG 34 7.713 -7.577 -10.779 245 HD3 ARG 34 HD1 ARG 34 8.599 -7.650 -9.259 246 HE ARG 34 HE ARG 34 5.743 -8.302 -9.240 247 HH11 ARG 34 HH11 ARG 34 9.072 -9.402 -9.118 248 HH12 ARG 34 HH12 ARG 34 8.667 -10.945 -8.429 249 HH21 ARG 34 HH21 ARG 34 5.216 -10.344 -8.360 250 HH22 ARG 34 HH22 ARG 34 6.478 -11.493 -8.012 251 H PHE 35 HN PHE 35 5.650 -4.883 -5.315 252 HA PHE 35 HA PHE 35 6.935 -3.214 -3.497 253 HB2 PHE 35 HB2 PHE 35 5.672 -5.922 -3.049 254 HB3 PHE 35 HB1 PHE 35 6.195 -4.857 -1.744 255 HD1 PHE 35 HD2 PHE 35 5.218 -2.395 -1.908 256 HD2 PHE 35 HD1 PHE 35 3.477 -5.852 -3.687 257 HE1 PHE 35 HE2 PHE 35 3.034 -1.268 -1.953 258 HE2 PHE 35 HE1 PHE 35 1.285 -4.724 -3.734 259 HZ PHE 35 HZ PHE 35 1.061 -2.434 -2.864 260 H GLU 36 HN GLU 36 7.791 -6.418 -4.623 261 HA GLU 36 HA GLU 36 9.864 -7.087 -2.907 262 HB2 GLU 36 HB2 GLU 36 9.951 -7.634 -5.870 263 HB3 GLU 36 HB1 GLU 36 10.578 -8.625 -4.564 264 HG2 GLU 36 HG2 GLU 36 7.659 -8.135 -5.112 265 HG3 GLU 36 HG1 GLU 36 8.564 -9.556 -5.622 266 H ASP 37 HN ASP 37 9.796 -4.759 -5.498 267 HA ASP 37 HA ASP 37 12.703 -4.674 -5.695 268 HB2 ASP 37 HB2 ASP 37 10.533 -3.350 -7.324 269 HB3 ASP 37 HB1 ASP 37 12.249 -3.040 -7.563 270 H ILE 38 HN ILE 38 10.119 -2.853 -4.266 271 HA ILE 38 HA ILE 38 11.736 -0.448 -4.132 272 HB ILE 38 HB ILE 38 9.800 0.540 -2.891 273 HG12 ILE 38 HG12 ILE 38 8.434 -2.057 -3.648 274 HG13 ILE 38 HG11 ILE 38 8.878 -1.588 -2.009 275 HG21 ILE 38 HG21 ILE 38 8.361 0.682 -4.891 276 HG22 ILE 38 HG22 ILE 38 9.276 -0.638 -5.618 277 HG23 ILE 38 HG23 ILE 38 10.071 0.895 -5.261 278 HD11 ILE 38 HD11 ILE 38 7.348 0.293 -2.119 279 HD12 ILE 38 HD12 ILE 38 6.514 -1.221 -2.464 280 HD13 ILE 38 HD13 ILE 38 6.934 -0.127 -3.781 281 H GLY 39 HN GLY 39 12.360 -3.017 -2.652 282 HA2 GLY 39 HA2 GLY 39 13.737 -3.330 -0.833 283 HA3 GLY 39 HA1 GLY 39 13.522 -1.636 -0.439 284 H TYR 40 HN TYR 40 10.610 -3.448 -0.757 285 HA TYR 40 HA TYR 40 10.393 -3.459 2.170 286 HB2 TYR 40 HB2 TYR 40 8.330 -3.126 0.006 287 HB3 TYR 40 HB1 TYR 40 7.868 -3.606 1.637 288 HD1 TYR 40 HD2 TYR 40 8.282 -2.082 3.532 289 HD2 TYR 40 HD1 TYR 40 8.961 -0.877 -0.486 290 HE1 TYR 40 HE2 TYR 40 8.305 0.267 4.250 291 HE2 TYR 40 HE1 TYR 40 8.994 1.479 0.213 292 HH TYR 40 HH TYR 40 9.239 2.426 3.448 293 H ASP 41 HN ASP 41 10.649 -5.338 3.077 294 HA ASP 41 HA ASP 41 10.438 -7.815 1.658 295 HB2 ASP 41 HB2 ASP 41 10.686 -7.270 4.629 296 HB3 ASP 41 HB1 ASP 41 10.846 -8.854 3.877 297 H SER 42 HN SER 42 9.028 -9.583 2.350 298 HA SER 42 HA SER 42 6.349 -9.046 2.177 299 HB2 SER 42 HB2 SER 42 6.473 -11.413 3.638 300 HB3 SER 42 HB1 SER 42 6.493 -11.267 1.880 301 H LEU 43 HN LEU 43 8.233 -9.575 5.143 302 HA LEU 43 HA LEU 43 6.178 -9.380 7.000 303 HB2 LEU 43 HB2 LEU 43 8.462 -10.067 7.549 304 HB3 LEU 43 HB1 LEU 43 9.043 -8.447 7.225 305 HG LEU 43 HG LEU 43 7.682 -7.612 9.132 306 HD11 LEU 43 HD11 LEU 43 7.157 -10.543 9.590 307 HD12 LEU 43 HD12 LEU 43 5.967 -9.309 9.176 308 HD13 LEU 43 HD13 LEU 43 6.793 -9.249 10.733 309 HD21 LEU 43 HD21 LEU 43 9.627 -9.821 9.799 310 HD22 LEU 43 HD22 LEU 43 9.123 -8.523 10.881 311 HD23 LEU 43 HD23 LEU 43 10.041 -8.148 9.424 312 H ALA 44 HN ALA 44 8.340 -6.759 5.911 313 HA ALA 44 HA ALA 44 7.034 -4.709 7.329 314 HB1 ALA 44 HB1 ALA 44 8.303 -3.175 5.909 315 HB2 ALA 44 HB2 ALA 44 8.726 -4.514 4.843 316 HB3 ALA 44 HB3 ALA 44 9.315 -4.491 6.506 317 H LEU 45 HN LEU 45 6.421 -6.165 4.227 318 HA LEU 45 HA LEU 45 4.753 -4.179 3.130 319 HB2 LEU 45 HB2 LEU 45 5.714 -5.947 1.780 320 HB3 LEU 45 HB1 LEU 45 4.837 -7.165 2.685 321 HG LEU 45 HG LEU 45 2.722 -6.330 1.790 322 HD11 LEU 45 HD11 LEU 45 2.681 -4.639 0.041 323 HD12 LEU 45 HD12 LEU 45 4.423 -4.406 0.207 324 HD13 LEU 45 HD13 LEU 45 3.344 -3.973 1.536 325 HD21 LEU 45 HD21 LEU 45 3.053 -7.007 -0.542 326 HD22 LEU 45 HD22 LEU 45 3.890 -8.081 0.580 327 HD23 LEU 45 HD23 LEU 45 4.799 -6.871 -0.325 328 H MET 46 HN MET 46 3.950 -7.149 4.976 329 HA MET 46 HA MET 46 1.160 -6.544 4.938 330 HB2 MET 46 HB2 MET 46 0.827 -8.444 6.333 331 HB3 MET 46 HB1 MET 46 2.064 -8.859 5.159 332 HG2 MET 46 HG2 MET 46 3.782 -8.715 6.780 333 HG3 MET 46 HG1 MET 46 2.705 -7.958 7.950 334 HE1 MET 46 HE1 MET 46 3.348 -11.367 9.684 335 HE2 MET 46 HE2 MET 46 3.332 -9.613 9.859 336 HE3 MET 46 HE3 MET 46 4.508 -10.383 8.793 337 H GLU 47 HN GLU 47 3.787 -5.704 7.035 338 HA GLU 47 HA GLU 47 2.338 -4.899 9.317 339 HB2 GLU 47 HB2 GLU 47 4.914 -3.813 8.141 340 HB3 GLU 47 HB1 GLU 47 4.290 -3.369 9.722 341 HG2 GLU 47 HG2 GLU 47 4.906 -6.210 8.967 342 HG3 GLU 47 HG1 GLU 47 6.108 -5.119 9.656 343 H THR 48 HN THR 48 3.304 -3.188 6.389 344 HA THR 48 HA THR 48 2.234 -0.682 7.033 345 HB THR 48 HB THR 48 2.630 -1.864 4.282 346 HG1 THR 48 HG1 THR 48 4.616 -1.938 5.220 347 HG21 THR 48 HG21 THR 48 1.312 0.179 4.234 348 HG22 THR 48 HG22 THR 48 2.929 0.489 3.601 349 HG23 THR 48 HG23 THR 48 2.506 1.001 5.237 350 H ALA 49 HN ALA 49 0.758 -3.564 5.758 351 HA ALA 49 HA ALA 49 -1.530 -2.514 4.554 352 HB1 ALA 49 HB1 ALA 49 -2.517 -4.708 4.879 353 HB2 ALA 49 HB2 ALA 49 -1.279 -5.108 6.070 354 HB3 ALA 49 HB3 ALA 49 -0.832 -4.861 4.381 355 H ALA 50 HN ALA 50 -0.873 -3.296 7.923 356 HA ALA 50 HA ALA 50 -3.496 -3.055 8.903 357 HB1 ALA 50 HB1 ALA 50 -0.894 -2.615 10.360 358 HB2 ALA 50 HB2 ALA 50 -1.697 -4.169 10.137 359 HB3 ALA 50 HB3 ALA 50 -2.465 -2.909 11.105 360 H ARG 51 HN ARG 51 -1.047 -0.742 8.125 361 HA ARG 51 HA ARG 51 -2.083 1.401 9.699 362 HB2 ARG 51 HB2 ARG 51 -0.313 1.615 7.261 363 HB3 ARG 51 HB1 ARG 51 -0.498 2.787 8.551 364 HG2 ARG 51 HG2 ARG 51 0.767 0.072 8.774 365 HG3 ARG 51 HG1 ARG 51 1.596 1.627 8.790 366 HD2 ARG 51 HD2 ARG 51 -0.417 0.715 10.840 367 HD3 ARG 51 HD1 ARG 51 1.332 0.634 11.038 368 HE ARG 51 HE ARG 51 -0.106 3.189 10.673 369 HH11 ARG 51 HH11 ARG 51 2.308 1.219 12.267 370 HH12 ARG 51 HH12 ARG 51 2.792 2.472 13.368 371 HH21 ARG 51 HH21 ARG 51 0.534 4.850 12.122 372 HH22 ARG 51 HH22 ARG 51 1.786 4.540 13.286 373 H LEU 52 HN LEU 52 -2.505 0.311 6.375 374 HA LEU 52 HA LEU 52 -3.987 2.564 5.485 375 HB2 LEU 52 HB2 LEU 52 -4.144 -0.271 4.457 376 HB3 LEU 52 HB1 LEU 52 -4.673 1.171 3.618 377 HG LEU 52 HG LEU 52 -1.796 0.646 4.363 378 HD11 LEU 52 HD11 LEU 52 -3.256 0.163 1.769 379 HD12 LEU 52 HD12 LEU 52 -2.492 -1.048 2.799 380 HD13 LEU 52 HD13 LEU 52 -1.505 0.144 1.958 381 HD21 LEU 52 HD21 LEU 52 -2.370 2.999 4.081 382 HD22 LEU 52 HD22 LEU 52 -3.089 2.646 2.510 383 HD23 LEU 52 HD23 LEU 52 -1.354 2.437 2.754 384 H GLU 53 HN GLU 53 -4.926 -0.626 6.704 385 HA GLU 53 HA GLU 53 -7.698 -0.326 6.534 386 HB2 GLU 53 HB2 GLU 53 -6.063 -1.912 8.522 387 HB3 GLU 53 HB1 GLU 53 -7.795 -2.083 8.294 388 HG2 GLU 53 HG2 GLU 53 -7.445 -2.820 6.008 389 HG3 GLU 53 HG1 GLU 53 -5.705 -2.604 6.194 390 H SER 54 HN SER 54 -5.485 0.371 9.224 391 HA SER 54 HA SER 54 -7.465 1.273 11.016 392 HB2 SER 54 HB2 SER 54 -4.529 2.010 10.925 393 HB3 SER 54 HB1 SER 54 -5.596 2.172 12.321 394 HG SER 54 HG SER 54 -4.650 -0.190 11.070 395 H ARG 55 HN ARG 55 -5.737 2.870 8.435 396 HA ARG 55 HA ARG 55 -6.224 5.550 9.297 397 HB2 ARG 55 HB2 ARG 55 -4.414 4.700 7.682 398 HB3 ARG 55 HB1 ARG 55 -5.673 4.662 6.458 399 HG2 ARG 55 HG2 ARG 55 -4.925 7.144 7.988 400 HG3 ARG 55 HG1 ARG 55 -4.194 6.688 6.453 401 HD2 ARG 55 HD2 ARG 55 -6.693 6.542 5.667 402 HD3 ARG 55 HD1 ARG 55 -6.961 7.618 7.036 403 HE ARG 55 HE ARG 55 -4.826 8.497 5.341 404 HH11 ARG 55 HH11 ARG 55 -8.307 8.556 5.793 405 HH12 ARG 55 HH12 ARG 55 -8.537 9.926 4.749 406 HH21 ARG 55 HH21 ARG 55 -5.136 10.305 3.978 407 HH22 ARG 55 HH22 ARG 55 -6.746 10.934 3.756 408 H TYR 56 HN TYR 56 -7.700 3.488 6.782 409 HA TYR 56 HA TYR 56 -9.704 5.555 6.293 410 HB2 TYR 56 HB2 TYR 56 -9.167 2.967 4.819 411 HB3 TYR 56 HB1 TYR 56 -10.290 4.229 4.315 412 HD1 TYR 56 HD2 TYR 56 -9.374 6.499 3.710 413 HD2 TYR 56 HD1 TYR 56 -6.869 3.111 4.291 414 HE1 TYR 56 HE2 TYR 56 -7.559 7.642 2.507 415 HE2 TYR 56 HE1 TYR 56 -5.046 4.246 3.092 416 HH TYR 56 HH TYR 56 -5.083 7.548 2.404 417 H GLY 57 HN GLY 57 -9.438 2.842 8.224 418 HA2 GLY 57 HA2 GLY 57 -11.034 1.750 9.496 419 HA3 GLY 57 HA1 GLY 57 -12.257 2.782 8.762 420 H VAL 58 HN VAL 58 -9.962 0.756 7.061 421 HA VAL 58 HA VAL 58 -12.239 -0.722 5.922 422 HB VAL 58 HB VAL 58 -10.939 -1.043 3.898 423 HG11 VAL 58 HG11 VAL 58 -10.808 1.263 3.091 424 HG12 VAL 58 HG12 VAL 58 -10.939 1.846 4.751 425 HG13 VAL 58 HG13 VAL 58 -12.284 0.973 4.013 426 HG21 VAL 58 HG21 VAL 58 -8.763 0.020 3.566 427 HG22 VAL 58 HG22 VAL 58 -8.711 -1.153 4.882 428 HG23 VAL 58 HG23 VAL 58 -8.773 0.572 5.241 429 H SER 59 HN SER 59 -11.217 -2.810 4.785 430 HA SER 59 HA SER 59 -9.017 -3.938 6.315 431 HB2 SER 59 HB2 SER 59 -11.221 -4.678 7.383 432 HB3 SER 59 HB1 SER 59 -11.527 -5.570 5.891 433 HG SER 59 HG SER 59 -9.025 -5.968 7.000 434 H ILE 60 HN ILE 60 -7.745 -5.267 5.099 435 HA ILE 60 HA ILE 60 -8.302 -5.199 2.232 436 HB ILE 60 HB ILE 60 -5.799 -6.046 3.704 437 HG12 ILE 60 HG12 ILE 60 -6.432 -3.477 2.227 438 HG13 ILE 60 HG11 ILE 60 -6.363 -3.650 3.978 439 HG21 ILE 60 HG21 ILE 60 -6.243 -5.522 0.764 440 HG22 ILE 60 HG22 ILE 60 -5.997 -7.103 1.504 441 HG23 ILE 60 HG23 ILE 60 -4.698 -5.910 1.521 442 HD11 ILE 60 HD11 ILE 60 -4.346 -2.630 3.062 443 HD12 ILE 60 HD12 ILE 60 -4.062 -4.072 2.088 444 HD13 ILE 60 HD13 ILE 60 -3.997 -4.170 3.849 445 HA PRO 61 HA PRO 61 -9.964 -9.346 2.404 446 HB2 PRO 61 HB2 PRO 61 -9.285 -9.192 -0.494 447 HB3 PRO 61 HB1 PRO 61 -10.797 -9.671 0.284 448 HG2 PRO 61 HG2 PRO 61 -10.571 -7.286 -0.870 449 HG3 PRO 61 HG1 PRO 61 -11.459 -7.484 0.652 450 HD2 PRO 61 HD2 PRO 61 -8.741 -6.343 0.184 451 HD3 PRO 61 HD1 PRO 61 -9.984 -5.860 1.357 452 H ASP 62 HN ASP 62 -8.834 -10.994 3.086 453 HA ASP 62 HA ASP 62 -6.074 -11.233 2.967 454 HB2 ASP 62 HB2 ASP 62 -6.486 -13.578 3.799 455 HB3 ASP 62 HB1 ASP 62 -7.284 -12.307 4.722 456 H ASP 63 HN ASP 63 -8.522 -12.709 0.896 457 HA ASP 63 HA ASP 63 -6.626 -14.436 -0.409 458 HB2 ASP 63 HB2 ASP 63 -8.989 -15.078 -0.176 459 HB3 ASP 63 HB1 ASP 63 -9.464 -13.698 -1.158 460 H VAL 64 HN VAL 64 -8.214 -11.374 -1.109 461 HA VAL 64 HA VAL 64 -7.258 -11.244 -3.803 462 HB VAL 64 HB VAL 64 -8.371 -8.978 -2.149 463 HG11 VAL 64 HG11 VAL 64 -7.275 -8.243 -4.195 464 HG12 VAL 64 HG12 VAL 64 -9.022 -8.056 -4.341 465 HG13 VAL 64 HG13 VAL 64 -8.212 -9.405 -5.136 466 HG21 VAL 64 HG21 VAL 64 -9.802 -11.020 -3.846 467 HG22 VAL 64 HG22 VAL 64 -10.542 -9.565 -3.178 468 HG23 VAL 64 HG23 VAL 64 -9.933 -10.820 -2.099 469 H ALA 65 HN ALA 65 -6.068 -10.196 -0.705 470 HA ALA 65 HA ALA 65 -4.283 -8.195 -1.526 471 HB1 ALA 65 HB1 ALA 65 -4.004 -10.100 0.796 472 HB2 ALA 65 HB2 ALA 65 -4.883 -8.569 0.820 473 HB3 ALA 65 HB3 ALA 65 -3.133 -8.580 0.589 474 H GLY 66 HN GLY 66 -3.984 -11.674 -1.427 475 HA2 GLY 66 HA2 GLY 66 -1.165 -11.671 -2.022 476 HA3 GLY 66 HA1 GLY 66 -2.216 -13.077 -1.949 477 H ARG 67 HN ARG 67 -3.526 -10.692 -3.917 478 HA ARG 67 HA ARG 67 -2.673 -12.157 -6.311 479 HB2 ARG 67 HB2 ARG 67 -4.937 -10.175 -5.999 480 HB3 ARG 67 HB1 ARG 67 -4.592 -11.139 -7.426 481 HG2 ARG 67 HG2 ARG 67 -5.075 -13.178 -6.164 482 HG3 ARG 67 HG1 ARG 67 -5.435 -12.202 -4.737 483 HD2 ARG 67 HD2 ARG 67 -7.204 -11.049 -6.060 484 HD3 ARG 67 HD1 ARG 67 -6.891 -12.178 -7.376 485 HE ARG 67 HE ARG 67 -7.514 -13.456 -4.868 486 HH11 ARG 67 HH11 ARG 67 -8.844 -12.031 -7.785 487 HH12 ARG 67 HH12 ARG 67 -10.337 -12.924 -7.691 488 HH21 ARG 67 HH21 ARG 67 -9.482 -14.588 -4.711 489 HH22 ARG 67 HH22 ARG 67 -10.700 -14.378 -5.947 490 H VAL 68 HN VAL 68 -2.133 -9.223 -4.655 491 HA VAL 68 HA VAL 68 -1.443 -7.786 -7.113 492 HB VAL 68 HB VAL 68 -1.230 -5.780 -5.789 493 HG11 VAL 68 HG11 VAL 68 -3.722 -7.296 -5.025 494 HG12 VAL 68 HG12 VAL 68 -3.472 -6.410 -6.528 495 HG13 VAL 68 HG13 VAL 68 -3.526 -5.543 -4.993 496 HG21 VAL 68 HG21 VAL 68 -1.658 -5.765 -3.369 497 HG22 VAL 68 HG22 VAL 68 -0.237 -6.726 -3.774 498 HG23 VAL 68 HG23 VAL 68 -1.760 -7.525 -3.382 499 H ASP 69 HN ASP 69 0.595 -6.694 -7.305 500 HA ASP 69 HA ASP 69 2.697 -7.480 -5.446 501 HB2 ASP 69 HB2 ASP 69 4.181 -8.210 -7.158 502 HB3 ASP 69 HB1 ASP 69 2.665 -9.044 -7.449 503 H THR 70 HN THR 70 1.068 -5.103 -6.915 504 HA THR 70 HA THR 70 3.362 -3.287 -6.978 505 HB THR 70 HB THR 70 2.089 -2.224 -9.013 506 HG1 THR 70 HG1 THR 70 1.416 -4.959 -9.402 507 HG21 THR 70 HG21 THR 70 3.703 -4.760 -9.304 508 HG22 THR 70 HG22 THR 70 4.364 -3.138 -9.091 509 HG23 THR 70 HG23 THR 70 3.457 -3.535 -10.549 510 HA PRO 71 HA PRO 71 0.940 -0.642 -4.343 511 HB2 PRO 71 HB2 PRO 71 2.250 1.425 -6.061 512 HB3 PRO 71 HB1 PRO 71 2.111 1.363 -4.301 513 HG2 PRO 71 HG2 PRO 71 4.396 0.702 -5.439 514 HG3 PRO 71 HG1 PRO 71 3.760 -0.296 -4.113 515 HD2 PRO 71 HD2 PRO 71 3.762 -0.826 -7.057 516 HD3 PRO 71 HD1 PRO 71 4.010 -1.953 -5.705 517 H ARG 72 HN ARG 72 1.083 0.135 -7.818 518 HA ARG 72 HA ARG 72 -1.024 1.931 -7.957 519 HB2 ARG 72 HB2 ARG 72 0.606 1.277 -9.791 520 HB3 ARG 72 HB1 ARG 72 -0.417 -0.122 -10.077 521 HG2 ARG 72 HG2 ARG 72 -2.280 1.287 -10.643 522 HG3 ARG 72 HG1 ARG 72 -1.353 2.730 -10.234 523 HD2 ARG 72 HD2 ARG 72 0.289 2.052 -12.021 524 HD3 ARG 72 HD1 ARG 72 -0.864 0.804 -12.500 525 HE ARG 72 HE ARG 72 -2.324 3.096 -12.490 526 HH11 ARG 72 HH11 ARG 72 0.673 2.161 -14.040 527 HH12 ARG 72 HH12 ARG 72 0.403 3.157 -15.435 528 HH21 ARG 72 HH21 ARG 72 -2.659 4.427 -14.292 529 HH22 ARG 72 HH22 ARG 72 -1.478 4.454 -15.571 530 H GLU 73 HN GLU 73 -1.144 -1.594 -8.446 531 HA GLU 73 HA GLU 73 -3.932 -1.726 -8.848 532 HB2 GLU 73 HB2 GLU 73 -1.936 -3.811 -7.967 533 HB3 GLU 73 HB1 GLU 73 -3.622 -4.171 -8.312 534 HG2 GLU 73 HG2 GLU 73 -1.646 -3.007 -10.263 535 HG3 GLU 73 HG1 GLU 73 -2.172 -4.691 -10.202 536 H LEU 74 HN LEU 74 -1.961 -1.741 -5.979 537 HA LEU 74 HA LEU 74 -3.923 -2.712 -4.168 538 HB2 LEU 74 HB2 LEU 74 -1.408 -2.617 -3.849 539 HB3 LEU 74 HB1 LEU 74 -1.584 -0.903 -3.546 540 HG LEU 74 HG LEU 74 -1.354 -2.407 -1.521 541 HD11 LEU 74 HD11 LEU 74 -2.138 -0.110 -1.353 542 HD12 LEU 74 HD12 LEU 74 -2.964 -1.156 -0.197 543 HD13 LEU 74 HD13 LEU 74 -3.788 -0.644 -1.670 544 HD21 LEU 74 HD21 LEU 74 -3.412 -3.507 -0.744 545 HD22 LEU 74 HD22 LEU 74 -2.775 -4.225 -2.224 546 HD23 LEU 74 HD23 LEU 74 -4.170 -3.146 -2.296 547 H LEU 75 HN LEU 75 -2.909 0.520 -5.167 548 HA LEU 75 HA LEU 75 -4.469 2.033 -3.414 549 HB2 LEU 75 HB2 LEU 75 -2.612 2.851 -4.884 550 HB3 LEU 75 HB1 LEU 75 -3.707 2.749 -6.244 551 HG LEU 75 HG LEU 75 -4.402 4.474 -3.880 552 HD11 LEU 75 HD11 LEU 75 -2.651 5.247 -6.214 553 HD12 LEU 75 HD12 LEU 75 -2.143 5.116 -4.529 554 HD13 LEU 75 HD13 LEU 75 -3.306 6.353 -5.005 555 HD21 LEU 75 HD21 LEU 75 -6.124 4.068 -5.572 556 HD22 LEU 75 HD22 LEU 75 -5.030 4.648 -6.829 557 HD23 LEU 75 HD23 LEU 75 -5.604 5.754 -5.580 558 H ASP 76 HN ASP 76 -5.189 1.119 -6.793 559 HA ASP 76 HA ASP 76 -7.797 2.201 -6.773 560 HB2 ASP 76 HB2 ASP 76 -6.353 0.284 -8.576 561 HB3 ASP 76 HB1 ASP 76 -8.066 0.602 -8.808 562 H LEU 77 HN LEU 77 -6.528 -0.865 -5.738 563 HA LEU 77 HA LEU 77 -8.897 -2.387 -5.850 564 HB2 LEU 77 HB2 LEU 77 -6.670 -3.369 -5.555 565 HB3 LEU 77 HB1 LEU 77 -6.547 -2.635 -3.970 566 HG LEU 77 HG LEU 77 -8.481 -4.020 -3.225 567 HD11 LEU 77 HD11 LEU 77 -8.127 -5.394 -5.888 568 HD12 LEU 77 HD12 LEU 77 -9.489 -4.367 -5.445 569 HD13 LEU 77 HD13 LEU 77 -9.213 -5.884 -4.589 570 HD21 LEU 77 HD21 LEU 77 -6.200 -4.725 -2.769 571 HD22 LEU 77 HD22 LEU 77 -6.118 -5.527 -4.337 572 HD23 LEU 77 HD23 LEU 77 -7.226 -6.121 -3.102 573 H ILE 78 HN ILE 78 -7.428 -0.606 -3.137 574 HA ILE 78 HA ILE 78 -9.518 -1.211 -1.315 575 HB ILE 78 HB ILE 78 -7.465 1.011 -1.206 576 HG12 ILE 78 HG12 ILE 78 -7.515 -1.756 0.032 577 HG13 ILE 78 HG11 ILE 78 -6.476 -1.232 -1.289 578 HG21 ILE 78 HG21 ILE 78 -7.945 1.058 1.209 579 HG22 ILE 78 HG22 ILE 78 -9.255 -0.097 0.956 580 HG23 ILE 78 HG23 ILE 78 -9.350 1.514 0.245 581 HD11 ILE 78 HD11 ILE 78 -5.231 -1.296 0.761 582 HD12 ILE 78 HD12 ILE 78 -6.404 -0.246 1.556 583 HD13 ILE 78 HD13 ILE 78 -5.407 0.379 0.241 584 H ASN 79 HN ASN 79 -8.822 1.618 -3.340 585 HA ASN 79 HA ASN 79 -10.985 3.183 -2.410 586 HB2 ASN 79 HB2 ASN 79 -9.250 3.287 -4.844 587 HB3 ASN 79 HB1 ASN 79 -10.675 4.317 -4.745 588 HD21 ASN 79 HD21 ASN 79 -7.830 4.971 -4.774 589 HD22 ASN 79 HD22 ASN 79 -7.537 5.905 -3.355 590 H GLY 80 HN GLY 80 -10.745 0.732 -4.918 591 HA2 GLY 80 HA2 GLY 80 -13.221 1.189 -6.162 592 HA3 GLY 80 HA1 GLY 80 -12.388 -0.356 -6.098 593 H ALA 81 HN ALA 81 -12.377 -0.591 -3.244 594 HA ALA 81 HA ALA 81 -15.002 -1.643 -2.807 595 HB1 ALA 81 HB1 ALA 81 -14.155 -2.335 -0.645 596 HB2 ALA 81 HB2 ALA 81 -12.735 -1.308 -0.842 597 HB3 ALA 81 HB3 ALA 81 -12.972 -2.699 -1.902 598 H LEU 82 HN LEU 82 -13.311 1.275 -1.950 599 HA LEU 82 HA LEU 82 -15.152 2.157 0.044 600 HB2 LEU 82 HB2 LEU 82 -13.101 3.642 -1.597 601 HB3 LEU 82 HB1 LEU 82 -14.022 4.368 -0.291 602 HG LEU 82 HG LEU 82 -12.105 2.051 0.004 603 HD11 LEU 82 HD11 LEU 82 -10.694 3.671 1.184 604 HD12 LEU 82 HD12 LEU 82 -11.829 4.954 0.765 605 HD13 LEU 82 HD13 LEU 82 -10.937 4.115 -0.504 606 HD21 LEU 82 HD21 LEU 82 -13.604 3.652 2.075 607 HD22 LEU 82 HD22 LEU 82 -12.425 2.381 2.398 608 HD23 LEU 82 HD23 LEU 82 -13.951 1.988 1.607 609 H ALA 83 HN ALA 83 -14.736 2.821 -3.412 610 HA ALA 83 HA ALA 83 -16.855 4.684 -3.643 611 HB1 ALA 83 HB1 ALA 83 -16.720 4.217 -6.063 612 HB2 ALA 83 HB2 ALA 83 -15.620 2.882 -5.722 613 HB3 ALA 83 HB3 ALA 83 -15.142 4.536 -5.342 614 H GLU 84 HN GLU 84 -16.787 1.277 -3.343 615 HA GLU 84 HA GLU 84 -19.210 0.572 -4.591 616 HB2 GLU 84 HB2 GLU 84 -17.448 -1.029 -3.892 617 HB3 GLU 84 HB1 GLU 84 -17.852 -0.713 -2.212 618 HG2 GLU 84 HG2 GLU 84 -18.848 -2.768 -2.837 619 HG3 GLU 84 HG1 GLU 84 -20.133 -1.574 -2.662 620 H ALA 85 HN ALA 85 -18.488 2.158 -1.630 621 HA ALA 85 HA ALA 85 -21.274 1.868 -0.723 622 HB1 ALA 85 HB1 ALA 85 -19.587 0.922 0.809 623 HB2 ALA 85 HB2 ALA 85 -20.487 2.254 1.530 624 HB3 ALA 85 HB3 ALA 85 -18.846 2.520 0.945 625 H ALA 86 HN ALA 86 -20.002 3.851 -2.635 626 HA ALA 86 HA ALA 86 -20.522 6.325 -1.119 627 HB1 ALA 86 HB1 ALA 86 -19.179 7.497 -2.764 628 HB2 ALA 86 HB2 ALA 86 -18.974 6.013 -3.693 629 HB3 ALA 86 HB3 ALA 86 -18.259 6.154 -2.087 630 H28 SXO 87 H28B SXO 87 6.628 -11.493 5.204 631 H28A SXO 87 H28A SXO 87 7.369 -12.323 6.575 632 H30 SXO 87 H30A SXO 87 5.009 -12.443 7.491 633 H30A SXO 87 H30C SXO 87 4.520 -11.626 6.007 634 H30B SXO 87 H30B SXO 87 3.736 -13.131 6.481 635 H31 SXO 87 H31A SXO 87 4.344 -14.356 4.383 636 H31A SXO 87 H31B SXO 87 5.961 -14.137 3.716 637 H31B SXO 87 H31C SXO 87 4.861 -12.763 3.830 638 H32 SXO 87 H32A SXO 87 6.047 -14.506 7.517 639 HO33 SXO 87 H33A SXO 87 7.263 -15.743 5.295 640 HN36 SXO 87 H36A SXO 87 3.553 -14.638 6.845 641 H37 SXO 87 H37A SXO 87 3.005 -17.419 6.067 642 H37A SXO 87 H37B SXO 87 1.980 -16.401 7.079 643 H38 SXO 87 H38B SXO 87 0.937 -16.627 4.925 644 H38A SXO 87 H38A SXO 87 2.429 -16.166 4.105 645 HN41 SXO 87 H41A SXO 87 1.139 -14.623 3.032 646 H42 SXO 87 H42A SXO 87 -0.349 -12.544 3.997 647 H42A SXO 87 H42B SXO 87 1.321 -12.013 4.169 648 H43 SXO 87 H43B SXO 87 1.648 -12.512 1.734 649 H43A SXO 87 H43A SXO 87 -0.096 -12.782 1.620 650 H2 SXO 87 H2A SXO 87 0.509 -9.074 -1.366 651 H2A SXO 87 H2B SXO 87 1.623 -8.660 -0.060 652 H3 SXO 87 H3B SXO 87 -1.380 -8.519 0.128 653 H3A SXO 87 H3A SXO 87 -0.220 -8.028 1.366 654 H4 SXO 87 H4A SXO 87 -0.498 -6.806 -1.382 655 H4A SXO 87 H4B SXO 87 0.660 -6.312 -0.145 656 H5 SXO 87 H5B SXO 87 -1.379 -4.870 -0.283 657 H5A SXO 87 H5A SXO 87 -2.333 -6.264 0.222 658 H6 SXO 87 H6A SXO 87 -0.898 -6.378 2.283 659 H6A SXO 87 H6B SXO 87 -1.918 -4.944 2.165 660 H7 SXO 87 H7A SXO 87 0.997 -5.035 1.385 661 H7A SXO 87 H7B SXO 87 0.380 -4.434 2.933 662 H8 SXO 87 H8C SXO 87 -0.909 -2.724 1.747 663 H8A SXO 87 H8A SXO 87 -0.301 -3.334 0.207 664 H8B SXO 87 H8B SXO 87 0.809 -2.606 1.365 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -15.947 16.780 -0.200 2 H2 MET 1 HT2 MET 1 -14.685 15.786 0.346 3 H3 MET 1 HT3 MET 1 -15.514 16.784 1.441 4 HA MET 1 HA MET 1 -17.506 15.536 1.216 5 HB2 MET 1 HB2 MET 1 -17.269 15.023 -1.181 6 HB3 MET 1 HB1 MET 1 -15.954 13.914 -0.815 7 HG2 MET 1 HG2 MET 1 -17.558 12.573 0.540 8 HG3 MET 1 HG1 MET 1 -18.847 13.616 -0.053 9 HE1 MET 1 HE1 MET 1 -16.266 10.934 -2.788 10 HE2 MET 1 HE2 MET 1 -16.165 10.873 -1.029 11 HE3 MET 1 HE3 MET 1 -15.649 12.321 -1.894 12 H ALA 2 HN ALA 2 -14.676 13.506 0.580 13 HA ALA 2 HA ALA 2 -14.265 12.804 3.317 14 HB1 ALA 2 HB1 ALA 2 -14.883 10.441 3.143 15 HB2 ALA 2 HB2 ALA 2 -15.503 10.714 1.516 16 HB3 ALA 2 HB3 ALA 2 -16.291 11.477 2.897 17 H THR 3 HN THR 3 -12.150 12.420 3.454 18 HA THR 3 HA THR 3 -10.576 12.245 1.081 19 HB THR 3 HB THR 3 -8.713 11.880 2.886 20 HG1 THR 3 HG1 THR 3 -9.991 11.425 4.658 21 HG21 THR 3 HG21 THR 3 -8.652 14.303 3.300 22 HG22 THR 3 HG22 THR 3 -10.308 14.442 2.709 23 HG23 THR 3 HG23 THR 3 -9.019 13.939 1.615 24 H LEU 4 HN LEU 4 -10.670 10.418 -0.024 25 HA LEU 4 HA LEU 4 -10.660 7.811 1.177 26 HB2 LEU 4 HB2 LEU 4 -10.136 8.628 -1.687 27 HB3 LEU 4 HB1 LEU 4 -10.471 7.002 -1.126 28 HG LEU 4 HG LEU 4 -12.412 9.305 -0.980 29 HD11 LEU 4 HD11 LEU 4 -12.253 6.994 -2.906 30 HD12 LEU 4 HD12 LEU 4 -12.008 8.700 -3.282 31 HD13 LEU 4 HD13 LEU 4 -13.600 8.124 -2.785 32 HD21 LEU 4 HD21 LEU 4 -14.059 7.590 -0.431 33 HD22 LEU 4 HD22 LEU 4 -12.759 7.620 0.761 34 HD23 LEU 4 HD23 LEU 4 -12.798 6.357 -0.469 35 H LEU 5 HN LEU 5 -8.897 6.289 -0.066 36 HA LEU 5 HA LEU 5 -6.347 7.176 0.961 37 HB2 LEU 5 HB2 LEU 5 -7.409 4.737 0.827 38 HB3 LEU 5 HB1 LEU 5 -6.646 4.735 -0.751 39 HG LEU 5 HG LEU 5 -5.204 5.162 1.872 40 HD11 LEU 5 HD11 LEU 5 -4.296 2.931 1.517 41 HD12 LEU 5 HD12 LEU 5 -5.308 2.743 0.085 42 HD13 LEU 5 HD13 LEU 5 -6.054 2.899 1.675 43 HD21 LEU 5 HD21 LEU 5 -3.162 4.913 0.585 44 HD22 LEU 5 HD22 LEU 5 -4.107 6.269 -0.028 45 HD23 LEU 5 HD23 LEU 5 -4.094 4.737 -0.903 46 H THR 6 HN THR 6 -4.935 8.323 -0.210 47 HA THR 6 HA THR 6 -5.191 8.234 -3.139 48 HB THR 6 HB THR 6 -6.027 10.381 -2.298 49 HG1 THR 6 HG1 THR 6 -3.734 11.422 -3.324 50 HG21 THR 6 HG21 THR 6 -4.557 11.960 -1.165 51 HG22 THR 6 HG22 THR 6 -3.267 10.761 -1.141 52 HG23 THR 6 HG23 THR 6 -4.742 10.487 -0.215 53 H THR 7 HN THR 7 -3.207 8.790 -4.299 54 HA THR 7 HA THR 7 -1.093 7.141 -3.595 55 HB THR 7 HB THR 7 -0.761 9.526 -5.396 56 HG1 THR 7 HG1 THR 7 -1.657 7.384 -6.745 57 HG21 THR 7 HG21 THR 7 0.252 6.690 -5.526 58 HG22 THR 7 HG22 THR 7 1.189 8.106 -5.051 59 HG23 THR 7 HG23 THR 7 0.590 7.960 -6.702 60 H ASP 8 HN ASP 8 -1.610 10.544 -2.943 61 HA ASP 8 HA ASP 8 0.956 11.347 -2.176 62 HB2 ASP 8 HB2 ASP 8 -1.576 12.268 -0.818 63 HB3 ASP 8 HB1 ASP 8 -0.101 13.183 -1.095 64 H ASP 9 HN ASP 9 -1.730 10.407 -0.069 65 HA ASP 9 HA ASP 9 -0.177 10.232 2.278 66 HB2 ASP 9 HB2 ASP 9 -2.932 9.242 1.571 67 HB3 ASP 9 HB1 ASP 9 -2.231 9.012 3.171 68 H LEU 10 HN LEU 10 -1.019 7.914 -0.193 69 HA LEU 10 HA LEU 10 -0.294 5.559 1.156 70 HB2 LEU 10 HB2 LEU 10 -1.447 5.648 -1.047 71 HB3 LEU 10 HB1 LEU 10 0.047 6.193 -1.782 72 HG LEU 10 HG LEU 10 1.116 4.039 -1.124 73 HD11 LEU 10 HD11 LEU 10 -1.687 3.319 -0.285 74 HD12 LEU 10 HD12 LEU 10 -0.282 3.470 0.768 75 HD13 LEU 10 HD13 LEU 10 -0.345 2.186 -0.438 76 HD21 LEU 10 HD21 LEU 10 -0.020 2.680 -2.811 77 HD22 LEU 10 HD22 LEU 10 0.185 4.341 -3.364 78 HD23 LEU 10 HD23 LEU 10 -1.390 3.789 -2.792 79 H ARG 11 HN ARG 11 1.593 7.827 -0.793 80 HA ARG 11 HA ARG 11 4.082 6.604 -0.678 81 HB2 ARG 11 HB2 ARG 11 3.622 8.506 -2.119 82 HB3 ARG 11 HB1 ARG 11 3.372 9.543 -0.725 83 HG2 ARG 11 HG2 ARG 11 5.672 9.501 -0.164 84 HG3 ARG 11 HG1 ARG 11 5.993 8.187 -1.298 85 HD2 ARG 11 HD2 ARG 11 6.769 10.297 -2.206 86 HD3 ARG 11 HD1 ARG 11 5.430 9.668 -3.165 87 HE ARG 11 HE ARG 11 4.221 11.347 -1.409 88 HH11 ARG 11 HH11 ARG 11 6.871 11.690 -3.663 89 HH12 ARG 11 HH12 ARG 11 6.581 13.378 -3.955 90 HH21 ARG 11 HH21 ARG 11 3.783 13.571 -1.839 91 HH22 ARG 11 HH22 ARG 11 4.835 14.441 -2.913 92 H ARG 12 HN ARG 12 2.397 8.506 1.729 93 HA ARG 12 HA ARG 12 4.662 8.766 3.476 94 HB2 ARG 12 HB2 ARG 12 1.752 9.398 3.671 95 HB3 ARG 12 HB1 ARG 12 2.717 9.343 5.139 96 HG2 ARG 12 HG2 ARG 12 3.352 11.050 2.744 97 HG3 ARG 12 HG1 ARG 12 2.492 11.604 4.181 98 HD2 ARG 12 HD2 ARG 12 5.296 10.495 4.117 99 HD3 ARG 12 HD1 ARG 12 4.862 12.195 4.282 100 HE ARG 12 HE ARG 12 3.569 11.125 6.356 101 HH11 ARG 12 HH11 ARG 12 6.845 10.659 5.243 102 HH12 ARG 12 HH12 ARG 12 7.495 10.392 6.833 103 HH21 ARG 12 HH21 ARG 12 4.390 10.785 8.452 104 HH22 ARG 12 HH22 ARG 12 6.085 10.456 8.659 105 H ALA 13 HN ALA 13 1.853 6.636 3.273 106 HA ALA 13 HA ALA 13 2.043 5.481 5.817 107 HB1 ALA 13 HB1 ALA 13 0.613 3.706 4.924 108 HB2 ALA 13 HB2 ALA 13 0.911 4.293 3.287 109 HB3 ALA 13 HB3 ALA 13 0.048 5.307 4.446 110 H LEU 14 HN LEU 14 3.546 4.548 2.763 111 HA LEU 14 HA LEU 14 4.623 2.094 3.627 112 HB2 LEU 14 HB2 LEU 14 5.280 3.999 1.424 113 HB3 LEU 14 HB1 LEU 14 6.406 2.712 1.792 114 HG LEU 14 HG LEU 14 4.951 2.073 -0.051 115 HD11 LEU 14 HD11 LEU 14 5.728 0.304 1.388 116 HD12 LEU 14 HD12 LEU 14 4.086 -0.043 0.847 117 HD13 LEU 14 HD13 LEU 14 4.369 0.556 2.482 118 HD21 LEU 14 HD21 LEU 14 3.010 3.447 0.511 119 HD22 LEU 14 HD22 LEU 14 2.671 2.402 1.892 120 HD23 LEU 14 HD23 LEU 14 2.560 1.761 0.252 121 H VAL 15 HN VAL 15 5.816 5.404 3.845 122 HA VAL 15 HA VAL 15 8.360 4.676 4.937 123 HB VAL 15 HB VAL 15 6.909 7.328 5.123 124 HG11 VAL 15 HG11 VAL 15 8.672 7.104 6.797 125 HG12 VAL 15 HG12 VAL 15 9.150 8.257 5.548 126 HG13 VAL 15 HG13 VAL 15 9.816 6.623 5.545 127 HG21 VAL 15 HG21 VAL 15 8.992 6.388 3.144 128 HG22 VAL 15 HG22 VAL 15 8.302 8.009 3.234 129 HG23 VAL 15 HG23 VAL 15 7.278 6.641 2.797 130 H GLU 16 HN GLU 16 5.228 5.617 6.246 131 HA GLU 16 HA GLU 16 5.960 5.863 8.943 132 HB2 GLU 16 HB2 GLU 16 3.331 5.099 7.671 133 HB3 GLU 16 HB1 GLU 16 3.522 5.453 9.383 134 HG2 GLU 16 HG2 GLU 16 4.167 7.714 8.901 135 HG3 GLU 16 HG1 GLU 16 4.174 7.387 7.170 136 H SER 17 HN SER 17 4.992 3.032 7.040 137 HA SER 17 HA SER 17 4.958 1.303 9.335 138 HB2 SER 17 HB2 SER 17 4.810 -0.507 7.565 139 HB3 SER 17 HB1 SER 17 3.523 0.697 7.540 140 HG SER 17 HG SER 17 4.567 0.124 5.456 141 H ALA 18 HN ALA 18 7.239 1.988 6.719 142 HA ALA 18 HA ALA 18 9.133 0.016 7.458 143 HB1 ALA 18 HB1 ALA 18 9.575 2.587 5.942 144 HB2 ALA 18 HB2 ALA 18 9.104 1.040 5.237 145 HB3 ALA 18 HB3 ALA 18 10.682 1.217 6.006 146 H GLY 19 HN GLY 19 9.171 3.550 7.947 147 HA2 GLY 19 HA2 GLY 19 9.800 4.676 9.891 148 HA3 GLY 19 HA1 GLY 19 10.391 3.163 10.557 149 H GLU 20 HN GLU 20 11.816 2.885 7.802 150 HA GLU 20 HA GLU 20 14.233 4.247 8.710 151 HB2 GLU 20 HB2 GLU 20 14.323 1.809 8.235 152 HB3 GLU 20 HB1 GLU 20 13.917 2.143 6.556 153 HG2 GLU 20 HG2 GLU 20 16.313 1.761 6.881 154 HG3 GLU 20 HG1 GLU 20 15.972 3.380 6.267 155 H THR 21 HN THR 21 15.461 5.570 7.343 156 HA THR 21 HA THR 21 14.009 6.653 5.011 157 HB THR 21 HB THR 21 15.538 8.535 6.741 158 HG1 THR 21 HG1 THR 21 14.309 7.477 8.308 159 HG21 THR 21 HG21 THR 21 14.511 9.325 4.685 160 HG22 THR 21 HG22 THR 21 13.711 10.052 6.077 161 HG23 THR 21 HG23 THR 21 12.939 8.723 5.215 162 H ASP 22 HN ASP 22 16.303 4.822 5.179 163 HA ASP 22 HA ASP 22 18.623 6.456 4.576 164 HB2 ASP 22 HB2 ASP 22 18.730 4.344 5.968 165 HB3 ASP 22 HB1 ASP 22 18.454 3.442 4.479 166 H GLY 23 HN GLY 23 17.297 3.588 2.904 167 HA2 GLY 23 HA2 GLY 23 17.986 4.946 0.368 168 HA3 GLY 23 HA1 GLY 23 18.013 3.203 0.594 169 H THR 24 HN THR 24 15.415 4.127 2.261 170 HA THR 24 HA THR 24 13.630 3.339 0.118 171 HB THR 24 HB THR 24 11.954 3.559 2.156 172 HG1 THR 24 HG1 THR 24 13.010 4.175 3.889 173 HG21 THR 24 HG21 THR 24 12.482 1.237 2.773 174 HG22 THR 24 HG22 THR 24 14.022 1.368 1.924 175 HG23 THR 24 HG23 THR 24 12.508 1.463 1.024 176 H ASP 25 HN ASP 25 14.109 5.513 -0.952 177 HA ASP 25 HA ASP 25 12.304 7.570 0.112 178 HB2 ASP 25 HB2 ASP 25 13.421 9.197 -1.151 179 HB3 ASP 25 HB1 ASP 25 14.726 8.140 -0.631 180 H LEU 26 HN LEU 26 10.449 8.031 -0.863 181 HA LEU 26 HA LEU 26 9.811 6.568 -3.325 182 HB2 LEU 26 HB2 LEU 26 8.200 7.402 -0.950 183 HB3 LEU 26 HB1 LEU 26 7.391 7.266 -2.497 184 HG LEU 26 HG LEU 26 8.062 4.900 -2.643 185 HD11 LEU 26 HD11 LEU 26 10.105 4.925 -1.346 186 HD12 LEU 26 HD12 LEU 26 8.969 3.765 -0.660 187 HD13 LEU 26 HD13 LEU 26 9.204 5.332 0.116 188 HD21 LEU 26 HD21 LEU 26 5.903 5.473 -1.693 189 HD22 LEU 26 HD22 LEU 26 6.630 5.644 -0.095 190 HD23 LEU 26 HD23 LEU 26 6.579 4.064 -0.877 191 H SER 27 HN SER 27 11.294 8.888 -3.573 192 HA SER 27 HA SER 27 9.648 11.181 -3.996 193 HB2 SER 27 HB2 SER 27 12.086 11.313 -3.520 194 HB3 SER 27 HB1 SER 27 12.415 10.589 -5.090 195 HG SER 27 HG SER 27 12.372 12.547 -5.816 196 H GLY 28 HN GLY 28 10.553 8.431 -5.911 197 HA2 GLY 28 HA2 GLY 28 9.292 9.628 -8.282 198 HA3 GLY 28 HA1 GLY 28 10.335 8.211 -8.294 199 H ASP 29 HN ASP 29 8.585 7.253 -9.560 200 HA ASP 29 HA ASP 29 6.065 6.728 -8.241 201 HB2 ASP 29 HB2 ASP 29 6.117 7.042 -10.686 202 HB3 ASP 29 HB1 ASP 29 7.168 5.637 -10.847 203 H PHE 30 HN PHE 30 5.562 4.993 -7.092 204 HA PHE 30 HA PHE 30 7.462 2.752 -7.058 205 HB2 PHE 30 HB2 PHE 30 6.680 2.367 -4.701 206 HB3 PHE 30 HB1 PHE 30 7.553 3.875 -4.941 207 HD1 PHE 30 HD2 PHE 30 6.306 6.023 -4.991 208 HD2 PHE 30 HD1 PHE 30 4.424 2.338 -3.979 209 HE1 PHE 30 HE2 PHE 30 4.433 7.256 -3.990 210 HE2 PHE 30 HE1 PHE 30 2.548 3.573 -2.974 211 HZ PHE 30 HZ PHE 30 2.554 6.044 -2.986 212 H LEU 31 HN LEU 31 4.210 3.731 -7.520 213 HA LEU 31 HA LEU 31 2.828 1.398 -6.814 214 HB2 LEU 31 HB2 LEU 31 2.102 3.413 -8.926 215 HB3 LEU 31 HB1 LEU 31 1.017 2.212 -8.255 216 HG LEU 31 HG LEU 31 1.860 3.518 -6.005 217 HD11 LEU 31 HD11 LEU 31 3.070 5.183 -7.282 218 HD12 LEU 31 HD12 LEU 31 1.665 5.918 -6.509 219 HD13 LEU 31 HD13 LEU 31 1.624 5.538 -8.229 220 HD21 LEU 31 HD21 LEU 31 -0.354 4.555 -6.038 221 HD22 LEU 31 HD22 LEU 31 -0.426 2.874 -6.569 222 HD23 LEU 31 HD23 LEU 31 -0.510 4.177 -7.754 223 H ASP 32 HN ASP 32 4.683 2.167 -9.671 224 HA ASP 32 HA ASP 32 3.452 0.009 -11.199 225 HB2 ASP 32 HB2 ASP 32 4.033 2.214 -12.232 226 HB3 ASP 32 HB1 ASP 32 5.731 1.843 -11.968 227 H LEU 33 HN LEU 33 6.165 0.535 -9.201 228 HA LEU 33 HA LEU 33 7.639 -1.750 -10.234 229 HB2 LEU 33 HB2 LEU 33 8.206 -0.002 -7.837 230 HB3 LEU 33 HB1 LEU 33 9.288 -1.202 -8.514 231 HG LEU 33 HG LEU 33 8.398 1.338 -9.887 232 HD11 LEU 33 HD11 LEU 33 11.036 0.555 -8.653 233 HD12 LEU 33 HD12 LEU 33 9.927 1.795 -8.069 234 HD13 LEU 33 HD13 LEU 33 10.751 2.006 -9.614 235 HD21 LEU 33 HD21 LEU 33 10.036 0.750 -11.600 236 HD22 LEU 33 HD22 LEU 33 8.782 -0.486 -11.468 237 HD23 LEU 33 HD23 LEU 33 10.374 -0.765 -10.762 238 H ARG 34 HN ARG 34 8.054 -3.643 -8.936 239 HA ARG 34 HA ARG 34 5.789 -4.446 -7.376 240 HB2 ARG 34 HB2 ARG 34 8.445 -5.856 -7.726 241 HB3 ARG 34 HB1 ARG 34 6.967 -6.568 -7.092 242 HG2 ARG 34 HG2 ARG 34 5.876 -6.203 -9.259 243 HG3 ARG 34 HG1 ARG 34 7.386 -5.535 -9.887 244 HD2 ARG 34 HD2 ARG 34 8.460 -7.744 -9.229 245 HD3 ARG 34 HD1 ARG 34 6.818 -8.353 -8.998 246 HE ARG 34 HE ARG 34 6.870 -7.224 -11.521 247 HH11 ARG 34 HH11 ARG 34 8.436 -9.864 -9.839 248 HH12 ARG 34 HH12 ARG 34 8.786 -10.747 -11.289 249 HH21 ARG 34 HH21 ARG 34 7.377 -8.344 -13.431 250 HH22 ARG 34 HH22 ARG 34 8.196 -9.875 -13.348 251 H PHE 35 HN PHE 35 5.839 -5.147 -5.153 252 HA PHE 35 HA PHE 35 6.873 -3.244 -3.405 253 HB2 PHE 35 HB2 PHE 35 5.972 -6.072 -2.841 254 HB3 PHE 35 HB1 PHE 35 6.292 -4.866 -1.595 255 HD1 PHE 35 HD2 PHE 35 4.954 -2.700 -1.688 256 HD2 PHE 35 HD1 PHE 35 3.884 -6.216 -3.829 257 HE1 PHE 35 HE2 PHE 35 2.651 -1.868 -1.899 258 HE2 PHE 35 HE1 PHE 35 1.577 -5.389 -4.049 259 HZ PHE 35 HZ PHE 35 0.960 -3.212 -3.079 260 H GLU 36 HN GLU 36 8.027 -6.569 -3.952 261 HA GLU 36 HA GLU 36 10.248 -6.440 -2.236 262 HB2 GLU 36 HB2 GLU 36 10.382 -8.052 -4.758 263 HB3 GLU 36 HB1 GLU 36 10.933 -8.467 -3.142 264 HG2 GLU 36 HG2 GLU 36 9.120 -9.846 -3.401 265 HG3 GLU 36 HG1 GLU 36 8.402 -8.473 -2.561 266 H ASP 37 HN ASP 37 9.700 -5.024 -5.293 267 HA ASP 37 HA ASP 37 12.472 -4.928 -6.114 268 HB2 ASP 37 HB2 ASP 37 10.283 -5.073 -7.575 269 HB3 ASP 37 HB1 ASP 37 10.288 -3.324 -7.400 270 H ILE 38 HN ILE 38 10.069 -2.816 -4.655 271 HA ILE 38 HA ILE 38 11.958 -0.595 -4.598 272 HB ILE 38 HB ILE 38 10.114 0.603 -3.357 273 HG12 ILE 38 HG12 ILE 38 8.533 -1.835 -4.201 274 HG13 ILE 38 HG11 ILE 38 8.907 -1.364 -2.544 275 HG21 ILE 38 HG21 ILE 38 9.474 -0.423 -6.114 276 HG22 ILE 38 HG22 ILE 38 10.554 0.919 -5.735 277 HG23 ILE 38 HG23 ILE 38 8.834 1.043 -5.373 278 HD11 ILE 38 HD11 ILE 38 6.622 -0.787 -3.141 279 HD12 ILE 38 HD12 ILE 38 7.212 0.194 -4.483 280 HD13 ILE 38 HD13 ILE 38 7.580 0.660 -2.824 281 H GLY 39 HN GLY 39 11.997 -3.261 -2.959 282 HA2 GLY 39 HA2 GLY 39 13.328 -3.690 -1.099 283 HA3 GLY 39 HA1 GLY 39 13.311 -1.975 -0.728 284 H TYR 40 HN TYR 40 10.241 -3.464 -1.232 285 HA TYR 40 HA TYR 40 9.840 -3.484 1.679 286 HB2 TYR 40 HB2 TYR 40 7.949 -2.924 -0.589 287 HB3 TYR 40 HB1 TYR 40 7.345 -3.417 0.991 288 HD1 TYR 40 HD2 TYR 40 7.641 -1.955 2.944 289 HD2 TYR 40 HD1 TYR 40 8.918 -0.760 -0.933 290 HE1 TYR 40 HE2 TYR 40 7.779 0.377 3.713 291 HE2 TYR 40 HE1 TYR 40 9.060 1.569 -0.178 292 HH TYR 40 HH TYR 40 8.262 3.012 1.528 293 H ASP 41 HN ASP 41 10.149 -5.438 2.419 294 HA ASP 41 HA ASP 41 9.555 -7.756 0.768 295 HB2 ASP 41 HB2 ASP 41 11.657 -7.294 2.315 296 HB3 ASP 41 HB1 ASP 41 10.617 -8.007 3.546 297 H SER 42 HN SER 42 8.941 -9.686 2.594 298 HA SER 42 HA SER 42 6.175 -9.592 2.595 299 HB2 SER 42 HB2 SER 42 6.307 -11.590 4.072 300 HB3 SER 42 HB1 SER 42 7.434 -11.680 2.713 301 H LEU 43 HN LEU 43 8.312 -9.237 5.411 302 HA LEU 43 HA LEU 43 6.287 -8.846 7.306 303 HB2 LEU 43 HB2 LEU 43 8.589 -9.461 7.878 304 HB3 LEU 43 HB1 LEU 43 9.146 -7.880 7.369 305 HG LEU 43 HG LEU 43 7.805 -6.853 9.185 306 HD11 LEU 43 HD11 LEU 43 6.866 -8.275 10.934 307 HD12 LEU 43 HD12 LEU 43 7.319 -9.714 10.019 308 HD13 LEU 43 HD13 LEU 43 6.104 -8.609 9.378 309 HD21 LEU 43 HD21 LEU 43 9.753 -8.984 10.069 310 HD22 LEU 43 HD22 LEU 43 9.252 -7.585 11.020 311 HD23 LEU 43 HD23 LEU 43 10.167 -7.355 9.529 312 H ALA 44 HN ALA 44 8.214 -6.481 5.499 313 HA ALA 44 HA ALA 44 7.193 -4.192 6.784 314 HB1 ALA 44 HB1 ALA 44 9.257 -4.190 5.451 315 HB2 ALA 44 HB2 ALA 44 8.126 -2.944 4.922 316 HB3 ALA 44 HB3 ALA 44 8.298 -4.430 3.989 317 H LEU 45 HN LEU 45 6.108 -6.046 4.014 318 HA LEU 45 HA LEU 45 4.205 -4.174 3.079 319 HB2 LEU 45 HB2 LEU 45 5.113 -5.990 1.691 320 HB3 LEU 45 HB1 LEU 45 4.293 -7.172 2.698 321 HG LEU 45 HG LEU 45 2.119 -6.231 2.007 322 HD11 LEU 45 HD11 LEU 45 2.038 -4.657 0.134 323 HD12 LEU 45 HD12 LEU 45 3.795 -4.501 0.199 324 HD13 LEU 45 HD13 LEU 45 2.807 -3.955 1.557 325 HD21 LEU 45 HD21 LEU 45 3.103 -8.123 0.798 326 HD22 LEU 45 HD22 LEU 45 3.891 -6.997 -0.309 327 HD23 LEU 45 HD23 LEU 45 2.130 -7.099 -0.257 328 H MET 46 HN MET 46 3.919 -7.018 5.211 329 HA MET 46 HA MET 46 1.097 -6.851 5.396 330 HB2 MET 46 HB2 MET 46 1.260 -8.481 7.195 331 HB3 MET 46 HB1 MET 46 2.288 -8.940 5.847 332 HG2 MET 46 HG2 MET 46 3.644 -9.402 7.633 333 HG3 MET 46 HG1 MET 46 4.156 -7.768 7.233 334 HE1 MET 46 HE1 MET 46 1.334 -8.798 10.741 335 HE2 MET 46 HE2 MET 46 2.052 -10.004 9.676 336 HE3 MET 46 HE3 MET 46 0.838 -8.887 9.049 337 H GLU 47 HN GLU 47 3.696 -5.452 7.333 338 HA GLU 47 HA GLU 47 2.020 -4.423 9.363 339 HB2 GLU 47 HB2 GLU 47 4.719 -3.527 8.357 340 HB3 GLU 47 HB1 GLU 47 3.908 -2.774 9.726 341 HG2 GLU 47 HG2 GLU 47 3.845 -5.026 10.814 342 HG3 GLU 47 HG1 GLU 47 4.859 -5.619 9.498 343 H THR 48 HN THR 48 2.947 -3.242 6.206 344 HA THR 48 HA THR 48 1.951 -0.618 6.431 345 HB THR 48 HB THR 48 2.159 -2.312 3.930 346 HG1 THR 48 HG1 THR 48 4.204 -2.182 4.806 347 HG21 THR 48 HG21 THR 48 0.796 -0.312 3.609 348 HG22 THR 48 HG22 THR 48 2.348 -0.140 2.787 349 HG23 THR 48 HG23 THR 48 2.067 0.680 4.324 350 H ALA 49 HN ALA 49 0.398 -3.676 5.672 351 HA ALA 49 HA ALA 49 -2.070 -2.779 4.743 352 HB1 ALA 49 HB1 ALA 49 -2.973 -4.906 5.519 353 HB2 ALA 49 HB2 ALA 49 -1.539 -5.168 6.511 354 HB3 ALA 49 HB3 ALA 49 -1.402 -5.138 4.754 355 H ALA 50 HN ALA 50 -1.003 -3.373 8.076 356 HA ALA 50 HA ALA 50 -3.411 -2.628 9.341 357 HB1 ALA 50 HB1 ALA 50 -2.087 -2.504 11.386 358 HB2 ALA 50 HB2 ALA 50 -0.601 -2.566 10.438 359 HB3 ALA 50 HB3 ALA 50 -1.690 -3.952 10.463 360 H ARG 51 HN ARG 51 -0.781 -0.828 8.031 361 HA ARG 51 HA ARG 51 -1.262 1.596 9.454 362 HB2 ARG 51 HB2 ARG 51 0.227 1.037 6.889 363 HB3 ARG 51 HB1 ARG 51 0.168 2.610 7.658 364 HG2 ARG 51 HG2 ARG 51 1.252 0.134 8.970 365 HG3 ARG 51 HG1 ARG 51 2.236 1.317 8.115 366 HD2 ARG 51 HD2 ARG 51 2.372 1.810 10.444 367 HD3 ARG 51 HD1 ARG 51 1.382 3.059 9.693 368 HE ARG 51 HE ARG 51 -0.028 0.812 10.891 369 HH11 ARG 51 HH11 ARG 51 1.056 4.109 11.158 370 HH12 ARG 51 HH12 ARG 51 -0.003 4.508 12.474 371 HH21 ARG 51 HH21 ARG 51 -1.482 1.330 12.609 372 HH22 ARG 51 HH22 ARG 51 -1.466 2.927 13.286 373 H LEU 52 HN LEU 52 -2.385 0.239 6.403 374 HA LEU 52 HA LEU 52 -3.732 2.687 5.651 375 HB2 LEU 52 HB2 LEU 52 -3.904 -0.070 4.435 376 HB3 LEU 52 HB1 LEU 52 -4.547 1.401 3.732 377 HG LEU 52 HG LEU 52 -1.614 0.891 4.240 378 HD11 LEU 52 HD11 LEU 52 -1.435 0.634 1.820 379 HD12 LEU 52 HD12 LEU 52 -3.183 0.791 1.664 380 HD13 LEU 52 HD13 LEU 52 -2.494 -0.594 2.511 381 HD21 LEU 52 HD21 LEU 52 -3.029 3.092 2.742 382 HD22 LEU 52 HD22 LEU 52 -1.282 2.876 2.856 383 HD23 LEU 52 HD23 LEU 52 -2.221 3.252 4.301 384 H GLU 53 HN GLU 53 -4.701 -0.556 6.747 385 HA GLU 53 HA GLU 53 -7.457 -0.223 6.428 386 HB2 GLU 53 HB2 GLU 53 -5.934 -2.013 8.328 387 HB3 GLU 53 HB1 GLU 53 -7.671 -2.104 8.075 388 HG2 GLU 53 HG2 GLU 53 -7.287 -2.588 5.703 389 HG3 GLU 53 HG1 GLU 53 -5.548 -2.553 5.993 390 H SER 54 HN SER 54 -5.552 0.064 9.433 391 HA SER 54 HA SER 54 -7.735 0.877 11.026 392 HB2 SER 54 HB2 SER 54 -4.788 1.375 11.492 393 HB3 SER 54 HB1 SER 54 -6.059 1.400 12.716 394 HG SER 54 HG SER 54 -6.435 -0.850 12.120 395 H ARG 55 HN ARG 55 -5.814 2.576 8.776 396 HA ARG 55 HA ARG 55 -6.059 5.174 10.006 397 HB2 ARG 55 HB2 ARG 55 -4.095 4.484 8.680 398 HB3 ARG 55 HB1 ARG 55 -5.110 4.357 7.255 399 HG2 ARG 55 HG2 ARG 55 -5.456 6.725 7.212 400 HG3 ARG 55 HG1 ARG 55 -4.646 6.916 8.773 401 HD2 ARG 55 HD2 ARG 55 -2.560 6.167 7.842 402 HD3 ARG 55 HD1 ARG 55 -3.335 5.776 6.313 403 HE ARG 55 HE ARG 55 -3.799 8.340 6.330 404 HH11 ARG 55 HH11 ARG 55 -0.950 6.773 7.594 405 HH12 ARG 55 HH12 ARG 55 0.146 8.024 7.088 406 HH21 ARG 55 HH21 ARG 55 -2.362 10.011 5.641 407 HH22 ARG 55 HH22 ARG 55 -0.667 9.855 5.983 408 H TYR 56 HN TYR 56 -7.432 3.526 7.176 409 HA TYR 56 HA TYR 56 -9.201 5.819 6.734 410 HB2 TYR 56 HB2 TYR 56 -8.509 3.477 4.959 411 HB3 TYR 56 HB1 TYR 56 -9.632 4.762 4.525 412 HD1 TYR 56 HD2 TYR 56 -8.801 7.062 4.169 413 HD2 TYR 56 HD1 TYR 56 -6.152 3.820 4.895 414 HE1 TYR 56 HE2 TYR 56 -6.935 8.406 3.300 415 HE2 TYR 56 HE1 TYR 56 -4.272 5.146 4.028 416 HH TYR 56 HH TYR 56 -4.469 8.487 3.505 417 H GLY 57 HN GLY 57 -9.265 2.795 8.190 418 HA2 GLY 57 HA2 GLY 57 -11.039 1.699 9.199 419 HA3 GLY 57 HA1 GLY 57 -12.109 2.944 8.569 420 H VAL 58 HN VAL 58 -9.972 0.549 7.036 421 HA VAL 58 HA VAL 58 -12.300 -0.397 5.495 422 HB VAL 58 HB VAL 58 -10.811 -0.861 3.595 423 HG11 VAL 58 HG11 VAL 58 -11.977 1.253 3.605 424 HG12 VAL 58 HG12 VAL 58 -10.363 1.470 2.922 425 HG13 VAL 58 HG13 VAL 58 -10.696 1.984 4.576 426 HG21 VAL 58 HG21 VAL 58 -8.528 0.061 3.558 427 HG22 VAL 58 HG22 VAL 58 -8.715 -1.195 4.783 428 HG23 VAL 58 HG23 VAL 58 -8.693 0.503 5.256 429 H SER 59 HN SER 59 -11.335 -2.557 4.269 430 HA SER 59 HA SER 59 -9.816 -4.201 6.109 431 HB2 SER 59 HB2 SER 59 -12.598 -4.956 5.155 432 HB3 SER 59 HB1 SER 59 -11.513 -6.003 6.065 433 HG SER 59 HG SER 59 -11.709 -3.736 7.412 434 H ILE 60 HN ILE 60 -8.297 -5.134 4.908 435 HA ILE 60 HA ILE 60 -8.650 -5.230 2.014 436 HB ILE 60 HB ILE 60 -6.197 -5.796 3.684 437 HG12 ILE 60 HG12 ILE 60 -6.975 -3.355 2.063 438 HG13 ILE 60 HG11 ILE 60 -6.987 -3.456 3.821 439 HG21 ILE 60 HG21 ILE 60 -4.980 -5.585 1.555 440 HG22 ILE 60 HG22 ILE 60 -6.524 -5.468 0.707 441 HG23 ILE 60 HG23 ILE 60 -6.095 -6.952 1.561 442 HD11 ILE 60 HD11 ILE 60 -5.024 -2.286 3.026 443 HD12 ILE 60 HD12 ILE 60 -4.562 -3.685 2.058 444 HD13 ILE 60 HD13 ILE 60 -4.571 -3.795 3.818 445 HA PRO 61 HA PRO 61 -9.906 -9.514 2.078 446 HB2 PRO 61 HB2 PRO 61 -8.975 -9.352 -0.741 447 HB3 PRO 61 HB1 PRO 61 -10.527 -9.896 -0.094 448 HG2 PRO 61 HG2 PRO 61 -10.309 -7.525 -1.288 449 HG3 PRO 61 HG1 PRO 61 -11.341 -7.738 0.139 450 HD2 PRO 61 HD2 PRO 61 -8.634 -6.489 -0.078 451 HD3 PRO 61 HD1 PRO 61 -10.022 -6.011 0.921 452 H ASP 62 HN ASP 62 -8.812 -11.237 2.671 453 HA ASP 62 HA ASP 62 -6.050 -11.259 2.998 454 HB2 ASP 62 HB2 ASP 62 -7.280 -12.649 4.433 455 HB3 ASP 62 HB1 ASP 62 -8.144 -13.417 3.108 456 H ASP 63 HN ASP 63 -7.969 -13.025 0.546 457 HA ASP 63 HA ASP 63 -5.571 -14.252 -0.483 458 HB2 ASP 63 HB2 ASP 63 -7.796 -15.416 -0.400 459 HB3 ASP 63 HB1 ASP 63 -8.336 -14.346 -1.691 460 H VAL 64 HN VAL 64 -7.578 -11.536 -1.348 461 HA VAL 64 HA VAL 64 -6.591 -11.288 -4.023 462 HB VAL 64 HB VAL 64 -7.888 -9.155 -2.309 463 HG11 VAL 64 HG11 VAL 64 -6.718 -8.275 -4.271 464 HG12 VAL 64 HG12 VAL 64 -8.466 -8.093 -4.421 465 HG13 VAL 64 HG13 VAL 64 -7.634 -9.372 -5.307 466 HG21 VAL 64 HG21 VAL 64 -9.158 -11.092 -4.246 467 HG22 VAL 64 HG22 VAL 64 -9.981 -9.782 -3.398 468 HG23 VAL 64 HG23 VAL 64 -9.309 -11.134 -2.488 469 H ALA 65 HN ALA 65 -5.697 -9.989 -0.885 470 HA ALA 65 HA ALA 65 -3.850 -8.053 -1.763 471 HB1 ALA 65 HB1 ALA 65 -3.048 -8.046 0.528 472 HB2 ALA 65 HB2 ALA 65 -3.912 -9.550 0.849 473 HB3 ALA 65 HB3 ALA 65 -4.810 -8.078 0.481 474 H GLY 66 HN GLY 66 -3.663 -11.457 -1.771 475 HA2 GLY 66 HA2 GLY 66 -0.756 -11.528 -1.608 476 HA3 GLY 66 HA1 GLY 66 -1.825 -12.908 -1.823 477 H ARG 67 HN ARG 67 -3.053 -10.950 -4.003 478 HA ARG 67 HA ARG 67 -1.427 -12.142 -6.130 479 HB2 ARG 67 HB2 ARG 67 -4.127 -10.808 -6.356 480 HB3 ARG 67 HB1 ARG 67 -3.314 -11.755 -7.593 481 HG2 ARG 67 HG2 ARG 67 -3.505 -13.752 -6.190 482 HG3 ARG 67 HG1 ARG 67 -4.329 -12.791 -4.957 483 HD2 ARG 67 HD2 ARG 67 -6.052 -12.223 -6.685 484 HD3 ARG 67 HD1 ARG 67 -5.278 -13.399 -7.748 485 HE ARG 67 HE ARG 67 -5.865 -14.602 -5.258 486 HH11 ARG 67 HH11 ARG 67 -7.356 -13.522 -8.223 487 HH12 ARG 67 HH12 ARG 67 -8.759 -14.536 -8.047 488 HH21 ARG 67 HH21 ARG 67 -7.707 -15.937 -5.000 489 HH22 ARG 67 HH22 ARG 67 -8.947 -15.931 -6.227 490 H VAL 68 HN VAL 68 -1.707 -9.232 -4.538 491 HA VAL 68 HA VAL 68 -1.272 -7.582 -6.902 492 HB VAL 68 HB VAL 68 -1.221 -5.664 -5.274 493 HG11 VAL 68 HG11 VAL 68 -3.240 -6.250 -6.470 494 HG12 VAL 68 HG12 VAL 68 -3.636 -5.722 -4.836 495 HG13 VAL 68 HG13 VAL 68 -3.655 -7.440 -5.237 496 HG21 VAL 68 HG21 VAL 68 -0.529 -6.845 -3.272 497 HG22 VAL 68 HG22 VAL 68 -2.008 -7.806 -3.299 498 HG23 VAL 68 HG23 VAL 68 -2.089 -6.066 -3.009 499 H ASP 69 HN ASP 69 0.691 -7.695 -7.714 500 HA ASP 69 HA ASP 69 3.010 -7.948 -5.973 501 HB2 ASP 69 HB2 ASP 69 4.266 -8.273 -8.063 502 HB3 ASP 69 HB1 ASP 69 2.881 -9.355 -7.984 503 H THR 70 HN THR 70 1.196 -5.537 -7.426 504 HA THR 70 HA THR 70 3.375 -3.592 -7.100 505 HB THR 70 HB THR 70 2.290 -2.312 -9.016 506 HG1 THR 70 HG1 THR 70 1.153 -4.880 -9.530 507 HG21 THR 70 HG21 THR 70 3.616 -4.958 -9.612 508 HG22 THR 70 HG22 THR 70 4.426 -3.417 -9.320 509 HG23 THR 70 HG23 THR 70 3.434 -3.632 -10.761 510 HA PRO 71 HA PRO 71 0.557 -1.421 -4.423 511 HB2 PRO 71 HB2 PRO 71 1.887 0.997 -5.537 512 HB3 PRO 71 HB1 PRO 71 1.684 0.501 -3.855 513 HG2 PRO 71 HG2 PRO 71 4.046 0.301 -5.069 514 HG3 PRO 71 HG1 PRO 71 3.497 -0.938 -3.921 515 HD2 PRO 71 HD2 PRO 71 3.584 -1.012 -6.906 516 HD3 PRO 71 HD1 PRO 71 3.895 -2.310 -5.733 517 H ARG 72 HN ARG 72 0.983 -0.688 -7.786 518 HA ARG 72 HA ARG 72 -0.946 1.208 -8.308 519 HB2 ARG 72 HB2 ARG 72 0.668 0.145 -9.932 520 HB3 ARG 72 HB1 ARG 72 -0.410 -1.238 -9.999 521 HG2 ARG 72 HG2 ARG 72 -0.825 0.133 -11.907 522 HG3 ARG 72 HG1 ARG 72 -2.210 0.271 -10.820 523 HD2 ARG 72 HD2 ARG 72 -1.583 2.454 -11.696 524 HD3 ARG 72 HD1 ARG 72 -1.313 2.371 -9.955 525 HE ARG 72 HE ARG 72 1.068 1.660 -11.201 526 HH11 ARG 72 HH11 ARG 72 -0.981 4.500 -11.090 527 HH12 ARG 72 HH12 ARG 72 0.356 5.615 -11.106 528 HH21 ARG 72 HH21 ARG 72 2.822 3.135 -11.252 529 HH22 ARG 72 HH22 ARG 72 2.516 4.842 -11.195 530 H GLU 73 HN GLU 73 -1.369 -2.327 -8.361 531 HA GLU 73 HA GLU 73 -4.164 -2.279 -8.793 532 HB2 GLU 73 HB2 GLU 73 -2.365 -4.455 -7.705 533 HB3 GLU 73 HB1 GLU 73 -4.050 -4.694 -8.144 534 HG2 GLU 73 HG2 GLU 73 -1.870 -3.811 -10.012 535 HG3 GLU 73 HG1 GLU 73 -2.509 -5.448 -9.880 536 H LEU 74 HN LEU 74 -2.196 -2.455 -5.878 537 HA LEU 74 HA LEU 74 -4.193 -3.187 -4.045 538 HB2 LEU 74 HB2 LEU 74 -1.547 -2.864 -3.871 539 HB3 LEU 74 HB1 LEU 74 -2.032 -1.320 -3.202 540 HG LEU 74 HG LEU 74 -2.934 -3.995 -2.124 541 HD11 LEU 74 HD11 LEU 74 -0.555 -3.769 -1.814 542 HD12 LEU 74 HD12 LEU 74 -1.373 -3.513 -0.270 543 HD13 LEU 74 HD13 LEU 74 -0.758 -2.134 -1.187 544 HD21 LEU 74 HD21 LEU 74 -3.635 -2.687 -0.178 545 HD22 LEU 74 HD22 LEU 74 -4.485 -2.188 -1.641 546 HD23 LEU 74 HD23 LEU 74 -3.164 -1.205 -1.010 547 H LEU 75 HN LEU 75 -2.957 0.053 -4.895 548 HA LEU 75 HA LEU 75 -4.760 1.526 -3.338 549 HB2 LEU 75 HB2 LEU 75 -2.722 2.447 -4.399 550 HB3 LEU 75 HB1 LEU 75 -3.496 2.320 -5.967 551 HG LEU 75 HG LEU 75 -5.232 3.927 -5.196 552 HD11 LEU 75 HD11 LEU 75 -5.086 3.527 -2.804 553 HD12 LEU 75 HD12 LEU 75 -4.818 5.232 -3.170 554 HD13 LEU 75 HD13 LEU 75 -3.452 4.189 -2.780 555 HD21 LEU 75 HD21 LEU 75 -3.807 5.908 -5.316 556 HD22 LEU 75 HD22 LEU 75 -3.308 4.688 -6.488 557 HD23 LEU 75 HD23 LEU 75 -2.388 4.908 -5.001 558 H ASP 76 HN ASP 76 -4.944 0.476 -6.716 559 HA ASP 76 HA ASP 76 -7.328 1.707 -7.460 560 HB2 ASP 76 HB2 ASP 76 -5.736 0.551 -8.997 561 HB3 ASP 76 HB1 ASP 76 -6.311 -0.992 -8.378 562 H LEU 77 HN LEU 77 -6.753 -1.388 -5.896 563 HA LEU 77 HA LEU 77 -9.373 -2.378 -5.946 564 HB2 LEU 77 HB2 LEU 77 -7.497 -3.807 -5.450 565 HB3 LEU 77 HB1 LEU 77 -7.104 -2.868 -4.022 566 HG LEU 77 HG LEU 77 -9.247 -3.597 -2.994 567 HD11 LEU 77 HD11 LEU 77 -9.432 -5.412 -5.391 568 HD12 LEU 77 HD12 LEU 77 -10.478 -4.030 -5.063 569 HD13 LEU 77 HD13 LEU 77 -10.496 -5.427 -3.985 570 HD21 LEU 77 HD21 LEU 77 -8.529 -5.875 -2.509 571 HD22 LEU 77 HD22 LEU 77 -7.158 -4.765 -2.509 572 HD23 LEU 77 HD23 LEU 77 -7.432 -5.831 -3.887 573 H ILE 78 HN ILE 78 -7.643 -0.724 -3.297 574 HA ILE 78 HA ILE 78 -9.814 -0.703 -1.515 575 HB ILE 78 HB ILE 78 -7.451 1.183 -1.605 576 HG12 ILE 78 HG12 ILE 78 -7.887 -1.393 -0.074 577 HG13 ILE 78 HG11 ILE 78 -6.835 -1.209 -1.471 578 HG21 ILE 78 HG21 ILE 78 -9.285 2.048 -0.233 579 HG22 ILE 78 HG22 ILE 78 -7.916 1.561 0.766 580 HG23 ILE 78 HG23 ILE 78 -9.339 0.526 0.656 581 HD11 ILE 78 HD11 ILE 78 -6.498 0.107 1.215 582 HD12 ILE 78 HD12 ILE 78 -5.467 0.383 -0.191 583 HD13 ILE 78 HD13 ILE 78 -5.538 -1.215 0.553 584 H ASN 79 HN ASN 79 -8.697 1.704 -3.860 585 HA ASN 79 HA ASN 79 -10.527 3.737 -3.253 586 HB2 ASN 79 HB2 ASN 79 -9.149 2.962 -5.818 587 HB3 ASN 79 HB1 ASN 79 -10.235 4.345 -5.733 588 HD21 ASN 79 HD21 ASN 79 -9.418 4.945 -2.974 589 HD22 ASN 79 HD22 ASN 79 -7.853 5.677 -3.097 590 H GLY 80 HN GLY 80 -10.797 1.046 -5.573 591 HA2 GLY 80 HA2 GLY 80 -13.349 1.730 -6.559 592 HA3 GLY 80 HA1 GLY 80 -12.624 0.131 -6.629 593 H ALA 81 HN ALA 81 -12.368 -0.153 -3.764 594 HA ALA 81 HA ALA 81 -14.942 -1.223 -3.212 595 HB1 ALA 81 HB1 ALA 81 -12.872 -2.225 -2.350 596 HB2 ALA 81 HB2 ALA 81 -14.012 -1.853 -1.056 597 HB3 ALA 81 HB3 ALA 81 -12.620 -0.805 -1.333 598 H LEU 82 HN LEU 82 -13.262 1.714 -2.332 599 HA LEU 82 HA LEU 82 -15.235 2.549 -0.418 600 HB2 LEU 82 HB2 LEU 82 -12.941 4.002 -1.731 601 HB3 LEU 82 HB1 LEU 82 -13.979 4.723 -0.516 602 HG LEU 82 HG LEU 82 -12.224 2.298 -0.088 603 HD11 LEU 82 HD11 LEU 82 -11.908 5.145 0.858 604 HD12 LEU 82 HD12 LEU 82 -10.904 4.329 -0.343 605 HD13 LEU 82 HD13 LEU 82 -10.893 3.782 1.334 606 HD21 LEU 82 HD21 LEU 82 -12.796 2.606 2.276 607 HD22 LEU 82 HD22 LEU 82 -14.213 2.233 1.297 608 HD23 LEU 82 HD23 LEU 82 -13.921 3.888 1.829 609 H ALA 83 HN ALA 83 -14.734 2.859 -3.821 610 HA ALA 83 HA ALA 83 -16.303 5.142 -4.322 611 HB1 ALA 83 HB1 ALA 83 -14.724 4.200 -5.938 612 HB2 ALA 83 HB2 ALA 83 -16.335 4.386 -6.632 613 HB3 ALA 83 HB3 ALA 83 -15.765 2.792 -6.134 614 H GLU 84 HN GLU 84 -17.122 1.767 -3.885 615 HA GLU 84 HA GLU 84 -19.912 2.270 -4.614 616 HB2 GLU 84 HB2 GLU 84 -18.536 -0.299 -3.805 617 HB3 GLU 84 HB1 GLU 84 -20.198 -0.163 -4.355 618 HG2 GLU 84 HG2 GLU 84 -19.326 0.701 -6.526 619 HG3 GLU 84 HG1 GLU 84 -17.699 0.335 -5.950 620 H ALA 85 HN ALA 85 -18.166 2.833 -1.965 621 HA ALA 85 HA ALA 85 -19.797 1.472 0.004 622 HB1 ALA 85 HB1 ALA 85 -17.410 1.740 0.425 623 HB2 ALA 85 HB2 ALA 85 -18.360 2.569 1.659 624 HB3 ALA 85 HB3 ALA 85 -17.587 3.491 0.371 625 H ALA 86 HN ALA 86 -21.730 2.217 0.502 626 HA ALA 86 HA ALA 86 -22.050 5.079 1.030 627 HB1 ALA 86 HB1 ALA 86 -24.245 5.085 -0.073 628 HB2 ALA 86 HB2 ALA 86 -23.986 3.421 -0.599 629 HB3 ALA 86 HB3 ALA 86 -22.952 4.711 -1.213 630 H28 SXO 87 H28B SXO 87 6.444 -11.483 6.447 631 H28A SXO 87 H28A SXO 87 7.519 -12.257 7.612 632 H30 SXO 87 H30A SXO 87 3.970 -12.534 8.792 633 H30A SXO 87 H30C SXO 87 5.479 -11.659 9.046 634 H30B SXO 87 H30B SXO 87 4.473 -11.295 7.643 635 H31 SXO 87 H31A SXO 87 5.222 -14.391 5.798 636 H31A SXO 87 H31B SXO 87 4.297 -12.889 5.780 637 H31B SXO 87 H31C SXO 87 3.820 -14.205 6.853 638 H32 SXO 87 H32A SXO 87 6.559 -13.885 9.262 639 HO33 SXO 87 H33A SXO 87 6.554 -16.030 7.620 640 HN36 SXO 87 H36A SXO 87 4.188 -13.628 10.007 641 H37 SXO 87 H37A SXO 87 2.710 -16.183 9.837 642 H37A SXO 87 H37B SXO 87 2.998 -15.352 11.364 643 H38 SXO 87 H38B SXO 87 1.794 -13.361 10.356 644 H38A SXO 87 H38A SXO 87 0.812 -14.771 10.761 645 HN41 SXO 87 H41A SXO 87 0.250 -12.638 8.940 646 H42 SXO 87 H42A SXO 87 0.513 -13.492 6.232 647 H42A SXO 87 H42B SXO 87 -1.077 -13.876 6.896 648 H43 SXO 87 H43B SXO 87 -1.470 -11.533 7.396 649 H43A SXO 87 H43A SXO 87 0.163 -11.122 6.832 650 H2 SXO 87 H2A SXO 87 -2.624 -8.415 4.006 651 H2A SXO 87 H2B SXO 87 -3.142 -10.040 3.567 652 H3 SXO 87 H3B SXO 87 -0.925 -10.431 2.542 653 H3A SXO 87 H3A SXO 87 -1.809 -9.105 1.785 654 H4 SXO 87 H4A SXO 87 0.593 -8.601 2.140 655 H4A SXO 87 H4B SXO 87 0.344 -8.776 3.876 656 H5 SXO 87 H5B SXO 87 -1.334 -6.950 3.778 657 H5A SXO 87 H5A SXO 87 0.284 -6.430 3.308 658 H6 SXO 87 H6A SXO 87 -1.911 -7.185 1.380 659 H6A SXO 87 H6B SXO 87 -0.319 -6.551 0.967 660 H7 SXO 87 H7A SXO 87 -2.413 -5.077 2.574 661 H7A SXO 87 H7B SXO 87 -2.058 -4.806 0.860 662 H8 SXO 87 H8C SXO 87 -0.135 -4.440 3.156 663 H8A SXO 87 H8A SXO 87 -0.938 -3.150 2.264 664 H8B SXO 87 H8B SXO 87 0.237 -4.183 1.453 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -20.212 10.535 -0.813 2 H2 MET 1 HT2 MET 1 -19.912 11.327 0.656 3 H3 MET 1 HT3 MET 1 -19.471 9.703 0.465 4 HA MET 1 HA MET 1 -17.886 10.306 -1.247 5 HB2 MET 1 HB2 MET 1 -18.998 12.353 -2.009 6 HB3 MET 1 HB1 MET 1 -18.664 13.125 -0.467 7 HG2 MET 1 HG2 MET 1 -16.267 12.980 -0.911 8 HG3 MET 1 HG1 MET 1 -16.601 12.212 -2.463 9 HE1 MET 1 HE1 MET 1 -14.778 14.820 -2.099 10 HE2 MET 1 HE2 MET 1 -15.326 15.792 -3.467 11 HE3 MET 1 HE3 MET 1 -15.080 14.053 -3.655 12 H ALA 2 HN ALA 2 -16.559 9.239 0.140 13 HA ALA 2 HA ALA 2 -15.643 10.659 2.543 14 HB1 ALA 2 HB1 ALA 2 -16.490 8.371 2.854 15 HB2 ALA 2 HB2 ALA 2 -14.789 8.510 3.297 16 HB3 ALA 2 HB3 ALA 2 -15.242 7.768 1.763 17 H THR 3 HN THR 3 -13.265 10.235 3.062 18 HA THR 3 HA THR 3 -11.671 11.254 0.923 19 HB THR 3 HB THR 3 -9.802 10.981 2.622 20 HG1 THR 3 HG1 THR 3 -10.883 9.261 3.796 21 HG21 THR 3 HG21 THR 3 -10.990 13.095 2.391 22 HG22 THR 3 HG22 THR 3 -10.651 12.780 4.094 23 HG23 THR 3 HG23 THR 3 -12.272 12.514 3.451 24 H LEU 4 HN LEU 4 -11.147 9.923 -0.700 25 HA LEU 4 HA LEU 4 -10.756 7.105 -0.325 26 HB2 LEU 4 HB2 LEU 4 -10.162 8.821 -2.736 27 HB3 LEU 4 HB1 LEU 4 -10.242 7.070 -2.713 28 HG LEU 4 HG LEU 4 -12.563 8.934 -2.196 29 HD11 LEU 4 HD11 LEU 4 -11.945 7.192 -4.572 30 HD12 LEU 4 HD12 LEU 4 -11.835 8.950 -4.523 31 HD13 LEU 4 HD13 LEU 4 -13.402 8.160 -4.341 32 HD21 LEU 4 HD21 LEU 4 -13.934 6.903 -2.289 33 HD22 LEU 4 HD22 LEU 4 -12.791 6.862 -0.946 34 HD23 LEU 4 HD23 LEU 4 -12.469 5.926 -2.406 35 H LEU 5 HN LEU 5 -8.723 6.103 -1.372 36 HA LEU 5 HA LEU 5 -6.475 7.047 0.176 37 HB2 LEU 5 HB2 LEU 5 -7.332 4.568 -0.517 38 HB3 LEU 5 HB1 LEU 5 -6.127 4.828 -1.759 39 HG LEU 5 HG LEU 5 -5.638 4.878 1.225 40 HD11 LEU 5 HD11 LEU 5 -4.761 2.934 -0.899 41 HD12 LEU 5 HD12 LEU 5 -6.033 2.654 0.292 42 HD13 LEU 5 HD13 LEU 5 -4.361 2.858 0.818 43 HD21 LEU 5 HD21 LEU 5 -4.178 6.463 0.065 44 HD22 LEU 5 HD22 LEU 5 -3.677 5.188 -1.047 45 HD23 LEU 5 HD23 LEU 5 -3.275 5.071 0.666 46 H THR 6 HN THR 6 -4.879 8.315 -0.577 47 HA THR 6 HA THR 6 -4.774 8.762 -3.475 48 HB THR 6 HB THR 6 -3.699 10.919 -2.979 49 HG1 THR 6 HG1 THR 6 -4.388 10.845 -0.284 50 HG21 THR 6 HG21 THR 6 -6.320 10.463 -1.550 51 HG22 THR 6 HG22 THR 6 -6.107 10.874 -3.252 52 HG23 THR 6 HG23 THR 6 -5.672 12.040 -2.003 53 H THR 7 HN THR 7 -2.585 9.424 -4.296 54 HA THR 7 HA THR 7 -0.715 7.387 -3.985 55 HB THR 7 HB THR 7 0.827 9.299 -5.006 56 HG1 THR 7 HG1 THR 7 -0.248 11.061 -5.533 57 HG21 THR 7 HG21 THR 7 -0.055 8.713 -7.210 58 HG22 THR 7 HG22 THR 7 -1.507 8.052 -6.457 59 HG23 THR 7 HG23 THR 7 0.060 7.290 -6.171 60 H ASP 8 HN ASP 8 -0.471 10.749 -2.822 61 HA ASP 8 HA ASP 8 2.000 10.392 -1.534 62 HB2 ASP 8 HB2 ASP 8 -0.158 12.468 -1.188 63 HB3 ASP 8 HB1 ASP 8 1.366 12.528 -0.309 64 H ASP 9 HN ASP 9 -1.296 9.940 -0.421 65 HA ASP 9 HA ASP 9 -0.775 9.667 2.340 66 HB2 ASP 9 HB2 ASP 9 -3.044 9.719 0.981 67 HB3 ASP 9 HB1 ASP 9 -2.832 7.975 0.972 68 H LEU 10 HN LEU 10 -0.966 7.303 -0.288 69 HA LEU 10 HA LEU 10 -0.259 5.022 1.165 70 HB2 LEU 10 HB2 LEU 10 -1.197 4.983 -1.112 71 HB3 LEU 10 HB1 LEU 10 0.299 5.650 -1.735 72 HG LEU 10 HG LEU 10 1.496 3.614 -1.013 73 HD11 LEU 10 HD11 LEU 10 -1.255 2.639 -0.267 74 HD12 LEU 10 HD12 LEU 10 0.079 2.954 0.842 75 HD13 LEU 10 HD13 LEU 10 0.199 1.646 -0.336 76 HD21 LEU 10 HD21 LEU 10 0.540 2.113 -2.705 77 HD22 LEU 10 HD22 LEU 10 0.658 3.773 -3.289 78 HD23 LEU 10 HD23 LEU 10 -0.900 3.128 -2.777 79 H ARG 11 HN ARG 11 1.735 7.366 -0.585 80 HA ARG 11 HA ARG 11 4.228 6.209 -0.294 81 HB2 ARG 11 HB2 ARG 11 3.901 8.185 -1.641 82 HB3 ARG 11 HB1 ARG 11 3.449 9.126 -0.228 83 HG2 ARG 11 HG2 ARG 11 5.727 8.866 0.655 84 HG3 ARG 11 HG1 ARG 11 6.173 7.964 -0.796 85 HD2 ARG 11 HD2 ARG 11 5.047 10.753 -0.908 86 HD3 ARG 11 HD1 ARG 11 6.771 10.443 -0.729 87 HE ARG 11 HE ARG 11 6.533 9.148 -2.888 88 HH11 ARG 11 HH11 ARG 11 4.437 11.843 -2.082 89 HH12 ARG 11 HH12 ARG 11 4.174 12.304 -3.727 90 HH21 ARG 11 HH21 ARG 11 6.206 9.763 -5.074 91 HH22 ARG 11 HH22 ARG 11 5.183 11.115 -5.433 92 H ARG 12 HN ARG 12 2.412 8.184 2.024 93 HA ARG 12 HA ARG 12 4.495 8.276 3.966 94 HB2 ARG 12 HB2 ARG 12 1.513 8.692 4.224 95 HB3 ARG 12 HB1 ARG 12 2.664 8.987 5.518 96 HG2 ARG 12 HG2 ARG 12 2.547 10.418 2.868 97 HG3 ARG 12 HG1 ARG 12 2.073 11.059 4.441 98 HD2 ARG 12 HD2 ARG 12 4.848 10.192 3.659 99 HD3 ARG 12 HD1 ARG 12 4.283 11.857 3.759 100 HE ARG 12 HE ARG 12 4.051 10.256 6.179 101 HH11 ARG 12 HH11 ARG 12 5.876 12.645 4.369 102 HH12 ARG 12 HH12 ARG 12 6.739 13.223 5.763 103 HH21 ARG 12 HH21 ARG 12 5.192 11.022 8.013 104 HH22 ARG 12 HH22 ARG 12 6.347 12.306 7.826 105 H ALA 13 HN ALA 13 1.870 6.048 3.307 106 HA ALA 13 HA ALA 13 1.915 4.625 5.740 107 HB1 ALA 13 HB1 ALA 13 0.730 2.874 4.540 108 HB2 ALA 13 HB2 ALA 13 1.151 3.627 3.002 109 HB3 ALA 13 HB3 ALA 13 0.081 4.462 4.128 110 H LEU 14 HN LEU 14 3.748 4.246 2.740 111 HA LEU 14 HA LEU 14 5.082 1.859 3.461 112 HB2 LEU 14 HB2 LEU 14 5.629 4.053 1.490 113 HB3 LEU 14 HB1 LEU 14 6.877 2.865 1.814 114 HG LEU 14 HG LEU 14 5.731 2.148 -0.139 115 HD11 LEU 14 HD11 LEU 14 4.738 0.000 0.561 116 HD12 LEU 14 HD12 LEU 14 4.751 0.568 2.231 117 HD13 LEU 14 HD13 LEU 14 6.272 0.342 1.366 118 HD21 LEU 14 HD21 LEU 14 3.300 1.767 -0.201 119 HD22 LEU 14 HD22 LEU 14 3.712 3.464 0.044 120 HD23 LEU 14 HD23 LEU 14 3.162 2.486 1.404 121 H VAL 15 HN VAL 15 5.842 5.270 3.936 122 HA VAL 15 HA VAL 15 8.397 4.953 5.060 123 HB VAL 15 HB VAL 15 6.349 7.129 5.540 124 HG11 VAL 15 HG11 VAL 15 9.297 7.122 6.204 125 HG12 VAL 15 HG12 VAL 15 7.982 7.048 7.375 126 HG13 VAL 15 HG13 VAL 15 8.194 8.487 6.379 127 HG21 VAL 15 HG21 VAL 15 7.051 6.966 3.234 128 HG22 VAL 15 HG22 VAL 15 8.747 6.962 3.724 129 HG23 VAL 15 HG23 VAL 15 7.758 8.401 3.978 130 H GLU 16 HN GLU 16 5.210 5.176 6.605 131 HA GLU 16 HA GLU 16 6.111 4.918 9.254 132 HB2 GLU 16 HB2 GLU 16 3.465 4.269 7.966 133 HB3 GLU 16 HB1 GLU 16 3.735 4.168 9.703 134 HG2 GLU 16 HG2 GLU 16 4.165 6.497 9.852 135 HG3 GLU 16 HG1 GLU 16 4.209 6.661 8.097 136 H SER 17 HN SER 17 5.898 2.603 6.753 137 HA SER 17 HA SER 17 5.791 0.314 8.513 138 HB2 SER 17 HB2 SER 17 6.355 0.451 5.540 139 HB3 SER 17 HB1 SER 17 6.008 -1.012 6.465 140 HG SER 17 HG SER 17 4.263 1.202 6.059 141 H ALA 18 HN ALA 18 8.179 2.439 7.409 142 HA ALA 18 HA ALA 18 10.261 0.643 8.408 143 HB1 ALA 18 HB1 ALA 18 11.771 1.231 6.567 144 HB2 ALA 18 HB2 ALA 18 10.463 2.119 5.785 145 HB3 ALA 18 HB3 ALA 18 10.339 0.375 6.000 146 H GLY 19 HN GLY 19 10.680 3.750 6.750 147 HA2 GLY 19 HA2 GLY 19 10.663 5.868 7.874 148 HA3 GLY 19 HA1 GLY 19 11.058 5.038 9.369 149 H GLU 20 HN GLU 20 13.002 3.516 7.366 150 HA GLU 20 HA GLU 20 15.222 5.304 7.995 151 HB2 GLU 20 HB2 GLU 20 15.413 2.992 8.753 152 HB3 GLU 20 HB1 GLU 20 15.192 2.417 7.107 153 HG2 GLU 20 HG2 GLU 20 17.538 2.363 7.860 154 HG3 GLU 20 HG1 GLU 20 17.283 3.357 6.425 155 H THR 21 HN THR 21 16.469 6.252 6.455 156 HA THR 21 HA THR 21 15.515 6.002 3.674 157 HB THR 21 HB THR 21 17.305 8.191 4.637 158 HG1 THR 21 HG1 THR 21 15.465 8.117 6.066 159 HG21 THR 21 HG21 THR 21 15.165 8.043 2.513 160 HG22 THR 21 HG22 THR 21 16.908 7.990 2.240 161 HG23 THR 21 HG23 THR 21 16.158 9.460 2.865 162 H ASP 22 HN ASP 22 16.822 4.030 3.664 163 HA ASP 22 HA ASP 22 19.631 4.042 3.922 164 HB2 ASP 22 HB2 ASP 22 18.367 1.964 4.077 165 HB3 ASP 22 HB1 ASP 22 17.835 2.128 2.407 166 H GLY 23 HN GLY 23 17.564 4.110 1.036 167 HA2 GLY 23 HA2 GLY 23 18.989 5.981 -0.402 168 HA3 GLY 23 HA1 GLY 23 19.733 4.433 -0.789 169 H THR 24 HN THR 24 16.417 5.631 -0.342 170 HA THR 24 HA THR 24 15.678 4.267 -2.845 171 HB THR 24 HB THR 24 13.935 4.443 -0.385 172 HG1 THR 24 HG1 THR 24 15.551 2.257 -1.295 173 HG21 THR 24 HG21 THR 24 12.665 2.656 -1.519 174 HG22 THR 24 HG22 THR 24 13.756 2.782 -2.900 175 HG23 THR 24 HG23 THR 24 12.718 4.142 -2.470 176 H ASP 25 HN ASP 25 15.016 5.778 -4.279 177 HA ASP 25 HA ASP 25 14.127 8.373 -3.486 178 HB2 ASP 25 HB2 ASP 25 13.940 7.032 -6.198 179 HB3 ASP 25 HB1 ASP 25 13.698 8.746 -5.881 180 H LEU 26 HN LEU 26 12.414 7.495 -2.026 181 HA LEU 26 HA LEU 26 10.036 6.435 -3.275 182 HB2 LEU 26 HB2 LEU 26 10.753 5.766 -0.995 183 HB3 LEU 26 HB1 LEU 26 10.489 7.410 -0.446 184 HG LEU 26 HG LEU 26 8.078 7.172 -0.986 185 HD11 LEU 26 HD11 LEU 26 8.253 5.475 -2.719 186 HD12 LEU 26 HD12 LEU 26 7.178 4.936 -1.428 187 HD13 LEU 26 HD13 LEU 26 8.821 4.302 -1.531 188 HD21 LEU 26 HD21 LEU 26 7.535 5.717 0.894 189 HD22 LEU 26 HD22 LEU 26 8.898 6.769 1.279 190 HD23 LEU 26 HD23 LEU 26 9.176 5.072 0.881 191 H SER 27 HN SER 27 11.372 9.464 -2.925 192 HA SER 27 HA SER 27 9.024 11.018 -2.488 193 HB2 SER 27 HB2 SER 27 10.538 12.886 -3.346 194 HB3 SER 27 HB1 SER 27 11.112 12.018 -1.920 195 HG SER 27 HG SER 27 12.142 12.105 -4.487 196 H GLY 28 HN GLY 28 10.415 9.434 -5.208 197 HA2 GLY 28 HA2 GLY 28 8.791 11.031 -7.067 198 HA3 GLY 28 HA1 GLY 28 10.140 9.997 -7.521 199 H ASP 29 HN ASP 29 9.791 7.880 -7.961 200 HA ASP 29 HA ASP 29 6.977 7.181 -8.345 201 HB2 ASP 29 HB2 ASP 29 8.552 7.168 -10.292 202 HB3 ASP 29 HB1 ASP 29 9.442 5.870 -9.509 203 H PHE 30 HN PHE 30 6.378 4.907 -8.089 204 HA PHE 30 HA PHE 30 7.707 3.107 -6.418 205 HB2 PHE 30 HB2 PHE 30 6.531 3.406 -4.287 206 HB3 PHE 30 HB1 PHE 30 7.451 4.852 -4.679 207 HD1 PHE 30 HD2 PHE 30 6.146 6.802 -5.767 208 HD2 PHE 30 HD1 PHE 30 4.279 3.555 -3.746 209 HE1 PHE 30 HE2 PHE 30 4.118 8.158 -5.469 210 HE2 PHE 30 HE1 PHE 30 2.249 4.910 -3.444 211 HZ PHE 30 HZ PHE 30 2.164 7.216 -4.302 212 H LEU 31 HN LEU 31 4.770 4.485 -7.631 213 HA LEU 31 HA LEU 31 2.885 2.592 -6.905 214 HB2 LEU 31 HB2 LEU 31 3.069 4.469 -9.222 215 HB3 LEU 31 HB1 LEU 31 1.717 3.366 -9.062 216 HG LEU 31 HG LEU 31 2.504 5.516 -7.100 217 HD11 LEU 31 HD11 LEU 31 0.305 6.447 -7.788 218 HD12 LEU 31 HD12 LEU 31 0.235 5.223 -9.055 219 HD13 LEU 31 HD13 LEU 31 1.514 6.440 -9.069 220 HD21 LEU 31 HD21 LEU 31 1.580 3.606 -5.921 221 HD22 LEU 31 HD22 LEU 31 0.220 3.545 -7.042 222 HD23 LEU 31 HD23 LEU 31 0.406 4.922 -5.956 223 H ASP 32 HN ASP 32 4.885 2.637 -9.858 224 HA ASP 32 HA ASP 32 3.467 0.246 -10.751 225 HB2 ASP 32 HB2 ASP 32 3.886 2.282 -12.239 226 HB3 ASP 32 HB1 ASP 32 5.562 1.746 -12.317 227 H LEU 33 HN LEU 33 6.071 0.866 -8.905 228 HA LEU 33 HA LEU 33 7.739 -1.313 -9.861 229 HB2 LEU 33 HB2 LEU 33 7.948 0.518 -7.472 230 HB3 LEU 33 HB1 LEU 33 9.073 -0.791 -7.787 231 HG LEU 33 HG LEU 33 8.604 1.574 -9.605 232 HD11 LEU 33 HD11 LEU 33 9.721 2.234 -7.549 233 HD12 LEU 33 HD12 LEU 33 10.855 2.266 -8.901 234 HD13 LEU 33 HD13 LEU 33 10.894 0.932 -7.746 235 HD21 LEU 33 HD21 LEU 33 9.248 -0.432 -10.832 236 HD22 LEU 33 HD22 LEU 33 10.624 -0.667 -9.754 237 HD23 LEU 33 HD23 LEU 33 10.561 0.741 -10.816 238 H ARG 34 HN ARG 34 7.880 -3.304 -8.909 239 HA ARG 34 HA ARG 34 5.649 -4.187 -7.370 240 HB2 ARG 34 HB2 ARG 34 8.267 -5.593 -7.898 241 HB3 ARG 34 HB1 ARG 34 6.789 -6.346 -7.318 242 HG2 ARG 34 HG2 ARG 34 5.689 -5.910 -9.419 243 HG3 ARG 34 HG1 ARG 34 7.086 -4.994 -9.998 244 HD2 ARG 34 HD2 ARG 34 6.992 -7.940 -9.339 245 HD3 ARG 34 HD1 ARG 34 7.137 -7.216 -10.943 246 HE ARG 34 HE ARG 34 9.255 -6.214 -9.495 247 HH11 ARG 34 HH11 ARG 34 8.152 -9.391 -10.487 248 HH12 ARG 34 HH12 ARG 34 9.745 -10.082 -10.490 249 HH21 ARG 34 HH21 ARG 34 11.334 -7.132 -9.437 250 HH22 ARG 34 HH22 ARG 34 11.557 -8.807 -9.859 251 H PHE 35 HN PHE 35 5.825 -5.221 -5.251 252 HA PHE 35 HA PHE 35 6.886 -3.488 -3.341 253 HB2 PHE 35 HB2 PHE 35 6.049 -6.374 -3.004 254 HB3 PHE 35 HB1 PHE 35 6.292 -5.220 -1.692 255 HD1 PHE 35 HD2 PHE 35 4.904 -3.024 -1.834 256 HD2 PHE 35 HD1 PHE 35 3.961 -6.593 -3.949 257 HE1 PHE 35 HE2 PHE 35 2.566 -2.285 -2.034 258 HE2 PHE 35 HE1 PHE 35 1.624 -5.860 -4.153 259 HZ PHE 35 HZ PHE 35 0.967 -3.594 -3.339 260 H GLU 36 HN GLU 36 8.184 -6.559 -4.584 261 HA GLU 36 HA GLU 36 10.492 -6.601 -2.948 262 HB2 GLU 36 HB2 GLU 36 11.455 -8.082 -4.725 263 HB3 GLU 36 HB1 GLU 36 9.900 -8.605 -4.097 264 HG2 GLU 36 HG2 GLU 36 9.907 -6.908 -6.525 265 HG3 GLU 36 HG1 GLU 36 10.450 -8.576 -6.683 266 H ASP 37 HN ASP 37 9.694 -4.706 -5.742 267 HA ASP 37 HA ASP 37 12.450 -4.181 -6.469 268 HB2 ASP 37 HB2 ASP 37 9.863 -2.973 -7.480 269 HB3 ASP 37 HB1 ASP 37 11.454 -2.564 -8.104 270 H ILE 38 HN ILE 38 9.906 -2.696 -4.602 271 HA ILE 38 HA ILE 38 11.496 -0.285 -4.231 272 HB ILE 38 HB ILE 38 9.636 0.466 -2.741 273 HG12 ILE 38 HG12 ILE 38 8.310 -2.065 -3.733 274 HG13 ILE 38 HG11 ILE 38 8.795 -1.742 -2.075 275 HG21 ILE 38 HG21 ILE 38 8.897 -0.346 -5.544 276 HG22 ILE 38 HG22 ILE 38 9.727 1.136 -5.066 277 HG23 ILE 38 HG23 ILE 38 8.054 0.863 -4.577 278 HD11 ILE 38 HD11 ILE 38 6.416 -1.437 -2.330 279 HD12 ILE 38 HD12 ILE 38 6.675 -0.277 -3.633 280 HD13 ILE 38 HD13 ILE 38 7.184 0.113 -1.990 281 H GLY 39 HN GLY 39 11.668 -3.282 -3.034 282 HA2 GLY 39 HA2 GLY 39 13.053 -4.086 -1.387 283 HA3 GLY 39 HA1 GLY 39 13.442 -2.426 -0.978 284 H TYR 40 HN TYR 40 10.348 -4.238 -0.836 285 HA TYR 40 HA TYR 40 10.360 -3.659 2.050 286 HB2 TYR 40 HB2 TYR 40 8.126 -3.493 0.061 287 HB3 TYR 40 HB1 TYR 40 7.764 -3.851 1.751 288 HD1 TYR 40 HD1 TYR 40 9.256 -1.358 -0.531 289 HD2 TYR 40 HD2 TYR 40 7.888 -2.152 3.417 290 HE1 TYR 40 HE1 TYR 40 9.346 1.046 -0.021 291 HE2 TYR 40 HE2 TYR 40 7.977 0.246 3.941 292 HH TYR 40 HH TYR 40 9.048 2.270 3.167 293 H ASP 41 HN ASP 41 10.418 -5.305 3.334 294 HA ASP 41 HA ASP 41 10.350 -7.999 2.403 295 HB2 ASP 41 HB2 ASP 41 10.377 -6.879 5.216 296 HB3 ASP 41 HB1 ASP 41 10.588 -8.579 4.819 297 H SER 42 HN SER 42 9.012 -9.692 3.445 298 HA SER 42 HA SER 42 6.285 -9.397 3.104 299 HB2 SER 42 HB2 SER 42 6.129 -11.492 4.505 300 HB3 SER 42 HB1 SER 42 7.312 -11.587 3.193 301 H LEU 43 HN LEU 43 8.127 -9.357 6.133 302 HA LEU 43 HA LEU 43 6.021 -8.877 7.893 303 HB2 LEU 43 HB2 LEU 43 8.298 -9.604 8.525 304 HB3 LEU 43 HB1 LEU 43 8.877 -7.983 8.185 305 HG LEU 43 HG LEU 43 7.493 -7.080 9.976 306 HD11 LEU 43 HD11 LEU 43 5.624 -8.634 9.867 307 HD12 LEU 43 HD12 LEU 43 6.292 -8.584 11.498 308 HD13 LEU 43 HD13 LEU 43 6.660 -9.945 10.436 309 HD21 LEU 43 HD21 LEU 43 8.673 -8.087 11.849 310 HD22 LEU 43 HD22 LEU 43 9.750 -7.844 10.475 311 HD23 LEU 43 HD23 LEU 43 9.126 -9.454 10.833 312 H ALA 44 HN ALA 44 8.071 -6.610 6.123 313 HA ALA 44 HA ALA 44 7.048 -4.257 7.313 314 HB1 ALA 44 HB1 ALA 44 9.164 -4.285 6.102 315 HB2 ALA 44 HB2 ALA 44 8.062 -3.098 5.403 316 HB3 ALA 44 HB3 ALA 44 8.313 -4.647 4.601 317 H LEU 45 HN LEU 45 6.147 -6.135 4.485 318 HA LEU 45 HA LEU 45 4.354 -4.291 3.349 319 HB2 LEU 45 HB2 LEU 45 5.336 -6.143 2.104 320 HB3 LEU 45 HB1 LEU 45 4.468 -7.292 3.104 321 HG LEU 45 HG LEU 45 2.333 -6.444 2.209 322 HD11 LEU 45 HD11 LEU 45 4.103 -4.742 0.463 323 HD12 LEU 45 HD12 LEU 45 2.988 -4.172 1.706 324 HD13 LEU 45 HD13 LEU 45 2.363 -4.958 0.253 325 HD21 LEU 45 HD21 LEU 45 2.561 -7.373 -0.046 326 HD22 LEU 45 HD22 LEU 45 3.394 -8.365 1.152 327 HD23 LEU 45 HD23 LEU 45 4.317 -7.290 0.103 328 H MET 46 HN MET 46 3.838 -6.907 5.700 329 HA MET 46 HA MET 46 1.004 -6.698 5.623 330 HB2 MET 46 HB2 MET 46 0.993 -8.098 7.630 331 HB3 MET 46 HB1 MET 46 2.061 -8.747 6.400 332 HG2 MET 46 HG2 MET 46 3.310 -9.048 8.287 333 HG3 MET 46 HG1 MET 46 3.911 -7.489 7.730 334 HE1 MET 46 HE1 MET 46 0.851 -7.982 11.152 335 HE2 MET 46 HE2 MET 46 1.552 -9.340 10.268 336 HE3 MET 46 HE3 MET 46 0.448 -8.232 9.455 337 H GLU 47 HN GLU 47 3.495 -5.110 7.533 338 HA GLU 47 HA GLU 47 1.734 -3.729 9.258 339 HB2 GLU 47 HB2 GLU 47 4.557 -3.278 8.368 340 HB3 GLU 47 HB1 GLU 47 3.719 -2.036 9.289 341 HG2 GLU 47 HG2 GLU 47 4.126 -4.884 10.173 342 HG3 GLU 47 HG1 GLU 47 5.070 -3.494 10.712 343 H THR 48 HN THR 48 3.033 -3.006 6.061 344 HA THR 48 HA THR 48 2.053 -0.422 5.733 345 HB THR 48 HB THR 48 2.205 -2.541 3.578 346 HG1 THR 48 HG1 THR 48 4.156 -1.125 4.983 347 HG21 THR 48 HG21 THR 48 1.042 -0.501 2.887 348 HG22 THR 48 HG22 THR 48 2.610 -0.630 2.087 349 HG23 THR 48 HG23 THR 48 2.400 0.471 3.449 350 H ALA 49 HN ALA 49 0.467 -3.541 5.181 351 HA ALA 49 HA ALA 49 -1.970 -2.657 4.151 352 HB1 ALA 49 HB1 ALA 49 -1.340 -5.017 4.205 353 HB2 ALA 49 HB2 ALA 49 -2.902 -4.770 4.986 354 HB3 ALA 49 HB3 ALA 49 -1.457 -5.018 5.964 355 H ALA 50 HN ALA 50 -0.964 -3.167 7.510 356 HA ALA 50 HA ALA 50 -3.416 -2.536 8.725 357 HB1 ALA 50 HB1 ALA 50 -2.136 -2.322 10.788 358 HB2 ALA 50 HB2 ALA 50 -0.634 -2.294 9.863 359 HB3 ALA 50 HB3 ALA 50 -1.636 -3.746 9.877 360 H ARG 51 HN ARG 51 -0.732 -0.586 7.669 361 HA ARG 51 HA ARG 51 -1.301 1.839 8.923 362 HB2 ARG 51 HB2 ARG 51 -0.168 1.363 6.161 363 HB3 ARG 51 HB1 ARG 51 -0.106 2.880 7.029 364 HG2 ARG 51 HG2 ARG 51 1.177 0.343 7.997 365 HG3 ARG 51 HG1 ARG 51 2.006 1.579 7.054 366 HD2 ARG 51 HD2 ARG 51 2.579 2.061 9.263 367 HD3 ARG 51 HD1 ARG 51 1.292 3.206 8.893 368 HE ARG 51 HE ARG 51 0.607 0.700 10.244 369 HH11 ARG 51 HH11 ARG 51 1.022 4.184 10.387 370 HH12 ARG 51 HH12 ARG 51 0.144 4.347 11.877 371 HH21 ARG 51 HH21 ARG 51 -0.528 0.917 12.203 372 HH22 ARG 51 HH22 ARG 51 -0.774 2.497 12.895 373 H LEU 52 HN LEU 52 -2.495 0.493 5.875 374 HA LEU 52 HA LEU 52 -4.000 2.827 5.184 375 HB2 LEU 52 HB2 LEU 52 -4.201 0.028 4.070 376 HB3 LEU 52 HB1 LEU 52 -4.843 1.486 3.333 377 HG LEU 52 HG LEU 52 -1.909 0.916 3.783 378 HD11 LEU 52 HD11 LEU 52 -3.542 0.854 1.250 379 HD12 LEU 52 HD12 LEU 52 -2.877 -0.548 2.090 380 HD13 LEU 52 HD13 LEU 52 -1.795 0.643 1.366 381 HD21 LEU 52 HD21 LEU 52 -1.566 2.887 2.355 382 HD22 LEU 52 HD22 LEU 52 -2.407 3.290 3.853 383 HD23 LEU 52 HD23 LEU 52 -3.309 3.168 2.341 384 H GLU 53 HN GLU 53 -4.821 -0.396 6.411 385 HA GLU 53 HA GLU 53 -7.583 -0.182 6.480 386 HB2 GLU 53 HB2 GLU 53 -5.828 -1.617 8.481 387 HB3 GLU 53 HB1 GLU 53 -7.535 -1.924 8.190 388 HG2 GLU 53 HG2 GLU 53 -6.987 -2.618 5.894 389 HG3 GLU 53 HG1 GLU 53 -5.277 -2.381 6.248 390 H SER 54 HN SER 54 -5.220 0.647 9.000 391 HA SER 54 HA SER 54 -7.099 1.381 10.960 392 HB2 SER 54 HB2 SER 54 -4.749 0.827 11.471 393 HB3 SER 54 HB1 SER 54 -4.224 2.287 10.643 394 HG SER 54 HG SER 54 -6.124 2.616 12.646 395 H ARG 55 HN ARG 55 -5.589 3.216 8.368 396 HA ARG 55 HA ARG 55 -6.335 5.757 9.460 397 HB2 ARG 55 HB2 ARG 55 -4.338 5.495 8.058 398 HB3 ARG 55 HB1 ARG 55 -5.354 5.066 6.691 399 HG2 ARG 55 HG2 ARG 55 -6.243 7.244 6.533 400 HG3 ARG 55 HG1 ARG 55 -5.598 7.699 8.111 401 HD2 ARG 55 HD2 ARG 55 -3.945 7.016 5.681 402 HD3 ARG 55 HD1 ARG 55 -4.287 8.647 6.262 403 HE ARG 55 HE ARG 55 -3.202 7.554 8.432 404 HH11 ARG 55 HH11 ARG 55 -2.121 7.559 5.078 405 HH12 ARG 55 HH12 ARG 55 -0.450 7.343 5.519 406 HH21 ARG 55 HH21 ARG 55 -1.039 7.287 8.974 407 HH22 ARG 55 HH22 ARG 55 0.180 7.191 7.734 408 H TYR 56 HN TYR 56 -7.533 3.791 6.741 409 HA TYR 56 HA TYR 56 -9.584 5.804 6.238 410 HB2 TYR 56 HB2 TYR 56 -8.705 3.365 4.702 411 HB3 TYR 56 HB1 TYR 56 -10.084 4.352 4.228 412 HD1 TYR 56 HD2 TYR 56 -9.713 6.743 3.584 413 HD2 TYR 56 HD1 TYR 56 -6.499 4.043 4.247 414 HE1 TYR 56 HE2 TYR 56 -8.200 8.261 2.378 415 HE2 TYR 56 HE1 TYR 56 -4.973 5.552 3.051 416 HH TYR 56 HH TYR 56 -5.391 7.474 1.131 417 H GLY 57 HN GLY 57 -9.364 3.187 8.209 418 HA2 GLY 57 HA2 GLY 57 -10.965 1.974 9.345 419 HA3 GLY 57 HA1 GLY 57 -12.178 3.013 8.606 420 H VAL 58 HN VAL 58 -9.833 1.078 6.880 421 HA VAL 58 HA VAL 58 -12.045 -0.500 5.749 422 HB VAL 58 HB VAL 58 -10.627 -0.857 3.761 423 HG11 VAL 58 HG11 VAL 58 -10.815 1.368 2.810 424 HG12 VAL 58 HG12 VAL 58 -11.015 2.055 4.422 425 HG13 VAL 58 HG13 VAL 58 -12.243 0.968 3.768 426 HG21 VAL 58 HG21 VAL 58 -8.738 1.079 5.095 427 HG22 VAL 58 HG22 VAL 58 -8.611 0.504 3.433 428 HG23 VAL 58 HG23 VAL 58 -8.437 -0.628 4.773 429 H SER 59 HN SER 59 -10.725 -2.516 4.559 430 HA SER 59 HA SER 59 -8.643 -3.587 6.214 431 HB2 SER 59 HB2 SER 59 -10.831 -4.209 7.393 432 HB3 SER 59 HB1 SER 59 -11.187 -5.211 5.992 433 HG SER 59 HG SER 59 -8.662 -5.552 7.099 434 H ILE 60 HN ILE 60 -7.407 -4.999 5.081 435 HA ILE 60 HA ILE 60 -8.117 -5.298 2.256 436 HB ILE 60 HB ILE 60 -5.473 -5.791 3.641 437 HG12 ILE 60 HG12 ILE 60 -6.377 -3.470 1.914 438 HG13 ILE 60 HG11 ILE 60 -6.162 -3.417 3.660 439 HG21 ILE 60 HG21 ILE 60 -4.541 -5.844 1.365 440 HG22 ILE 60 HG22 ILE 60 -6.170 -5.695 0.705 441 HG23 ILE 60 HG23 ILE 60 -5.719 -7.133 1.620 442 HD11 ILE 60 HD11 ILE 60 -3.993 -3.920 1.636 443 HD12 ILE 60 HD12 ILE 60 -3.783 -3.847 3.385 444 HD13 ILE 60 HD13 ILE 60 -4.285 -2.409 2.498 445 HA PRO 61 HA PRO 61 -9.331 -9.505 3.302 446 HB2 PRO 61 HB2 PRO 61 -9.584 -9.699 0.360 447 HB3 PRO 61 HB1 PRO 61 -10.784 -10.031 1.615 448 HG2 PRO 61 HG2 PRO 61 -10.944 -7.855 0.059 449 HG3 PRO 61 HG1 PRO 61 -11.423 -7.813 1.766 450 HD2 PRO 61 HD2 PRO 61 -8.922 -6.803 0.471 451 HD3 PRO 61 HD1 PRO 61 -9.873 -6.092 1.789 452 H ASP 62 HN ASP 62 -7.788 -10.935 3.730 453 HA ASP 62 HA ASP 62 -5.268 -10.886 2.449 454 HB2 ASP 62 HB2 ASP 62 -4.765 -12.888 3.879 455 HB3 ASP 62 HB1 ASP 62 -5.284 -11.452 4.744 456 H ASP 63 HN ASP 63 -8.105 -12.328 1.472 457 HA ASP 63 HA ASP 63 -6.951 -14.577 0.104 458 HB2 ASP 63 HB2 ASP 63 -9.622 -13.191 -0.143 459 HB3 ASP 63 HB1 ASP 63 -9.158 -14.541 -1.170 460 H VAL 64 HN VAL 64 -8.296 -11.472 -0.995 461 HA VAL 64 HA VAL 64 -7.197 -11.812 -3.633 462 HB VAL 64 HB VAL 64 -8.407 -9.287 -2.498 463 HG11 VAL 64 HG11 VAL 64 -8.191 -10.329 -5.320 464 HG12 VAL 64 HG12 VAL 64 -7.266 -8.998 -4.627 465 HG13 VAL 64 HG13 VAL 64 -9.011 -8.846 -4.834 466 HG21 VAL 64 HG21 VAL 64 -9.816 -11.623 -3.789 467 HG22 VAL 64 HG22 VAL 64 -10.562 -10.074 -3.394 468 HG23 VAL 64 HG23 VAL 64 -9.958 -11.117 -2.106 469 H ALA 65 HN ALA 65 -5.990 -10.712 -0.695 470 HA ALA 65 HA ALA 65 -4.355 -8.559 -1.445 471 HB1 ALA 65 HB1 ALA 65 -3.166 -8.931 0.622 472 HB2 ALA 65 HB2 ALA 65 -3.843 -10.556 0.745 473 HB3 ALA 65 HB3 ALA 65 -4.896 -9.150 0.882 474 H GLY 66 HN GLY 66 -3.780 -12.023 -1.516 475 HA2 GLY 66 HA2 GLY 66 -1.010 -11.690 -2.297 476 HA3 GLY 66 HA1 GLY 66 -1.873 -13.215 -2.144 477 H ARG 67 HN ARG 67 -2.818 -10.409 -4.041 478 HA ARG 67 HA ARG 67 -2.182 -11.773 -6.546 479 HB2 ARG 67 HB2 ARG 67 -4.959 -10.951 -5.689 480 HB3 ARG 67 HB1 ARG 67 -4.528 -11.226 -7.371 481 HG2 ARG 67 HG2 ARG 67 -4.094 -13.519 -6.985 482 HG3 ARG 67 HG1 ARG 67 -4.163 -13.305 -5.234 483 HD2 ARG 67 HD2 ARG 67 -6.203 -14.350 -6.150 484 HD3 ARG 67 HD1 ARG 67 -6.522 -12.811 -5.350 485 HE ARG 67 HE ARG 67 -6.104 -12.535 -8.177 486 HH11 ARG 67 HH11 ARG 67 -8.446 -13.388 -5.741 487 HH12 ARG 67 HH12 ARG 67 -9.820 -12.890 -6.678 488 HH21 ARG 67 HH21 ARG 67 -7.895 -11.915 -9.453 489 HH22 ARG 67 HH22 ARG 67 -9.503 -12.071 -8.818 490 H VAL 68 HN VAL 68 -1.155 -9.432 -5.174 491 HA VAL 68 HA VAL 68 -1.759 -7.416 -7.220 492 HB VAL 68 HB VAL 68 -2.968 -6.748 -5.211 493 HG11 VAL 68 HG11 VAL 68 -0.303 -6.842 -3.806 494 HG12 VAL 68 HG12 VAL 68 -1.705 -7.863 -3.487 495 HG13 VAL 68 HG13 VAL 68 -1.776 -6.136 -3.141 496 HG21 VAL 68 HG21 VAL 68 -0.539 -5.061 -5.765 497 HG22 VAL 68 HG22 VAL 68 -1.970 -4.512 -4.894 498 HG23 VAL 68 HG23 VAL 68 -2.099 -4.990 -6.586 499 H ASP 69 HN ASP 69 0.005 -6.670 -8.196 500 HA ASP 69 HA ASP 69 2.598 -7.540 -7.164 501 HB2 ASP 69 HB2 ASP 69 1.729 -6.444 -9.836 502 HB3 ASP 69 HB1 ASP 69 3.412 -6.751 -9.430 503 H THR 70 HN THR 70 0.918 -4.584 -8.131 504 HA THR 70 HA THR 70 3.184 -3.057 -7.032 505 HB THR 70 HB THR 70 2.791 -1.336 -8.777 506 HG1 THR 70 HG1 THR 70 1.111 -3.297 -10.009 507 HG21 THR 70 HG21 THR 70 3.345 -4.102 -9.864 508 HG22 THR 70 HG22 THR 70 4.528 -3.024 -9.127 509 HG23 THR 70 HG23 THR 70 3.764 -2.581 -10.654 510 HA PRO 71 HA PRO 71 0.505 -0.637 -4.401 511 HB2 PRO 71 HB2 PRO 71 1.993 1.584 -5.768 512 HB3 PRO 71 HB1 PRO 71 1.618 1.383 -4.052 513 HG2 PRO 71 HG2 PRO 71 4.037 0.800 -4.931 514 HG3 PRO 71 HG1 PRO 71 3.242 -0.279 -3.769 515 HD2 PRO 71 HD2 PRO 71 3.669 -0.638 -6.698 516 HD3 PRO 71 HD1 PRO 71 3.661 -1.851 -5.404 517 H ARG 72 HN ARG 72 1.011 0.407 -7.752 518 HA ARG 72 HA ARG 72 -1.148 2.149 -7.997 519 HB2 ARG 72 HB2 ARG 72 0.818 1.065 -9.682 520 HB3 ARG 72 HB1 ARG 72 -0.720 0.671 -10.440 521 HG2 ARG 72 HG2 ARG 72 -0.183 3.447 -9.478 522 HG3 ARG 72 HG1 ARG 72 0.452 2.892 -11.028 523 HD2 ARG 72 HD2 ARG 72 -2.424 2.468 -10.380 524 HD3 ARG 72 HD1 ARG 72 -1.887 4.071 -10.890 525 HE ARG 72 HE ARG 72 -0.884 2.134 -12.668 526 HH11 ARG 72 HH11 ARG 72 -3.898 3.699 -11.782 527 HH12 ARG 72 HH12 ARG 72 -4.630 3.463 -13.336 528 HH21 ARG 72 HH21 ARG 72 -1.823 1.850 -14.716 529 HH22 ARG 72 HH22 ARG 72 -3.447 2.398 -15.015 530 H GLU 73 HN GLU 73 -1.000 -1.349 -8.477 531 HA GLU 73 HA GLU 73 -3.720 -1.710 -9.215 532 HB2 GLU 73 HB2 GLU 73 -1.783 -3.617 -7.886 533 HB3 GLU 73 HB1 GLU 73 -3.304 -4.076 -8.634 534 HG2 GLU 73 HG2 GLU 73 -2.505 -3.714 -10.773 535 HG3 GLU 73 HG1 GLU 73 -1.199 -2.668 -10.217 536 H LEU 74 HN LEU 74 -1.969 -2.088 -6.165 537 HA LEU 74 HA LEU 74 -3.988 -2.951 -4.494 538 HB2 LEU 74 HB2 LEU 74 -1.352 -2.089 -4.231 539 HB3 LEU 74 HB1 LEU 74 -2.263 -1.003 -3.204 540 HG LEU 74 HG LEU 74 -2.053 -3.993 -2.994 541 HD11 LEU 74 HD11 LEU 74 -1.422 -1.758 -1.072 542 HD12 LEU 74 HD12 LEU 74 -0.243 -2.667 -2.011 543 HD13 LEU 74 HD13 LEU 74 -1.197 -3.481 -0.770 544 HD21 LEU 74 HD21 LEU 74 -4.379 -3.418 -2.647 545 HD22 LEU 74 HD22 LEU 74 -3.921 -2.133 -1.531 546 HD23 LEU 74 HD23 LEU 74 -3.629 -3.820 -1.102 547 H LEU 75 HN LEU 75 -3.055 0.347 -5.293 548 HA LEU 75 HA LEU 75 -4.682 1.745 -3.541 549 HB2 LEU 75 HB2 LEU 75 -2.859 2.643 -5.034 550 HB3 LEU 75 HB1 LEU 75 -4.012 2.591 -6.355 551 HG LEU 75 HG LEU 75 -5.479 4.107 -4.929 552 HD11 LEU 75 HD11 LEU 75 -4.288 5.471 -3.276 553 HD12 LEU 75 HD12 LEU 75 -2.876 4.428 -3.453 554 HD13 LEU 75 HD13 LEU 75 -4.382 3.776 -2.806 555 HD21 LEU 75 HD21 LEU 75 -4.321 4.908 -6.900 556 HD22 LEU 75 HD22 LEU 75 -2.836 5.116 -5.975 557 HD23 LEU 75 HD23 LEU 75 -4.242 6.121 -5.622 558 H ASP 76 HN ASP 76 -5.376 0.876 -6.923 559 HA ASP 76 HA ASP 76 -7.965 1.997 -6.963 560 HB2 ASP 76 HB2 ASP 76 -6.583 1.478 -8.978 561 HB3 ASP 76 HB1 ASP 76 -6.904 -0.233 -8.709 562 H LEU 77 HN LEU 77 -6.778 -1.221 -6.206 563 HA LEU 77 HA LEU 77 -9.247 -2.556 -6.165 564 HB2 LEU 77 HB2 LEU 77 -7.057 -3.685 -6.200 565 HB3 LEU 77 HB1 LEU 77 -6.755 -3.142 -4.562 566 HG LEU 77 HG LEU 77 -8.671 -4.485 -3.778 567 HD11 LEU 77 HD11 LEU 77 -10.005 -4.487 -5.817 568 HD12 LEU 77 HD12 LEU 77 -9.679 -6.135 -5.282 569 HD13 LEU 77 HD13 LEU 77 -8.775 -5.454 -6.634 570 HD21 LEU 77 HD21 LEU 77 -6.434 -5.415 -3.700 571 HD22 LEU 77 HD22 LEU 77 -6.594 -5.988 -5.360 572 HD23 LEU 77 HD23 LEU 77 -7.605 -6.677 -4.091 573 H ILE 78 HN ILE 78 -7.406 -1.001 -3.542 574 HA ILE 78 HA ILE 78 -9.263 -1.613 -1.501 575 HB ILE 78 HB ILE 78 -7.226 0.618 -1.653 576 HG12 ILE 78 HG12 ILE 78 -7.169 -2.085 -0.290 577 HG13 ILE 78 HG11 ILE 78 -6.284 -1.648 -1.749 578 HG21 ILE 78 HG21 ILE 78 -8.770 -0.387 0.740 579 HG22 ILE 78 HG22 ILE 78 -8.981 1.177 -0.048 580 HG23 ILE 78 HG23 ILE 78 -7.468 0.801 0.775 581 HD11 ILE 78 HD11 ILE 78 -5.047 0.033 -0.456 582 HD12 ILE 78 HD12 ILE 78 -4.813 -1.609 0.144 583 HD13 ILE 78 HD13 ILE 78 -5.887 -0.501 1.001 584 H ASN 79 HN ASN 79 -8.961 1.114 -3.724 585 HA ASN 79 HA ASN 79 -10.917 2.775 -2.554 586 HB2 ASN 79 HB2 ASN 79 -9.844 2.522 -5.353 587 HB3 ASN 79 HB1 ASN 79 -11.192 3.601 -5.009 588 HD21 ASN 79 HD21 ASN 79 -8.533 2.965 -2.799 589 HD22 ASN 79 HD22 ASN 79 -7.847 4.549 -2.882 590 H GLY 80 HN GLY 80 -11.160 0.175 -4.943 591 HA2 GLY 80 HA2 GLY 80 -13.883 0.469 -5.576 592 HA3 GLY 80 HA1 GLY 80 -12.949 -1.010 -5.739 593 H ALA 81 HN ALA 81 -12.284 -1.381 -3.017 594 HA ALA 81 HA ALA 81 -14.672 -2.691 -2.152 595 HB1 ALA 81 HB1 ALA 81 -13.353 -3.447 -0.273 596 HB2 ALA 81 HB2 ALA 81 -12.099 -2.263 -0.638 597 HB3 ALA 81 HB3 ALA 81 -12.412 -3.593 -1.756 598 H LEU 82 HN LEU 82 -13.024 0.265 -1.294 599 HA LEU 82 HA LEU 82 -14.557 0.716 1.084 600 HB2 LEU 82 HB2 LEU 82 -12.635 1.796 1.425 601 HB3 LEU 82 HB1 LEU 82 -12.258 1.838 -0.282 602 HG LEU 82 HG LEU 82 -13.864 3.819 -0.410 603 HD11 LEU 82 HD11 LEU 82 -13.381 3.760 2.568 604 HD12 LEU 82 HD12 LEU 82 -14.935 3.567 1.756 605 HD13 LEU 82 HD13 LEU 82 -14.084 5.112 1.681 606 HD21 LEU 82 HD21 LEU 82 -11.269 4.070 1.111 607 HD22 LEU 82 HD22 LEU 82 -12.098 5.376 0.267 608 HD23 LEU 82 HD23 LEU 82 -11.448 4.014 -0.643 609 H ALA 83 HN ALA 83 -14.783 1.554 -2.281 610 HA ALA 83 HA ALA 83 -16.454 3.809 -2.079 611 HB1 ALA 83 HB1 ALA 83 -16.228 1.824 -4.340 612 HB2 ALA 83 HB2 ALA 83 -15.202 3.240 -4.095 613 HB3 ALA 83 HB3 ALA 83 -16.919 3.445 -4.443 614 H GLU 84 HN GLU 84 -17.148 0.399 -1.894 615 HA GLU 84 HA GLU 84 -20.014 0.909 -2.165 616 HB2 GLU 84 HB2 GLU 84 -20.250 -1.551 -2.134 617 HB3 GLU 84 HB1 GLU 84 -19.186 -0.986 -3.416 618 HG2 GLU 84 HG2 GLU 84 -17.244 -1.602 -2.094 619 HG3 GLU 84 HG1 GLU 84 -18.295 -2.131 -0.780 620 H ALA 85 HN ALA 85 -17.852 1.132 0.247 621 HA ALA 85 HA ALA 85 -19.357 -0.291 2.282 622 HB1 ALA 85 HB1 ALA 85 -16.903 -0.284 2.341 623 HB2 ALA 85 HB2 ALA 85 -17.600 0.408 3.804 624 HB3 ALA 85 HB3 ALA 85 -16.920 1.464 2.567 625 H ALA 86 HN ALA 86 -18.850 2.988 1.171 626 HA ALA 86 HA ALA 86 -20.417 4.044 3.409 627 HB1 ALA 86 HB1 ALA 86 -19.641 6.252 2.643 628 HB2 ALA 86 HB2 ALA 86 -18.747 5.468 1.337 629 HB3 ALA 86 HB3 ALA 86 -18.308 5.161 3.018 630 H28 SXO 87 H28B SXO 87 6.493 -12.050 7.110 631 H28A SXO 87 H28A SXO 87 7.734 -12.979 7.951 632 H30 SXO 87 H30A SXO 87 4.830 -12.186 8.632 633 H30A SXO 87 H30C SXO 87 4.345 -13.684 9.424 634 H30B SXO 87 H30B SXO 87 5.912 -12.961 9.791 635 H31 SXO 87 H31A SXO 87 3.983 -14.894 7.292 636 H31A SXO 87 H31B SXO 87 5.195 -14.783 6.012 637 H31B SXO 87 H31C SXO 87 4.283 -13.352 6.494 638 H32 SXO 87 H32A SXO 87 6.972 -15.014 9.366 639 HO33 SXO 87 H33A SXO 87 7.109 -16.688 7.278 640 HN36 SXO 87 H36A SXO 87 4.487 -15.142 10.045 641 H37 SXO 87 H37A SXO 87 3.275 -17.690 9.231 642 H37A SXO 87 H37B SXO 87 3.659 -17.422 10.930 643 H38 SXO 87 H38B SXO 87 2.192 -15.440 10.920 644 H38A SXO 87 H38A SXO 87 1.333 -16.933 10.548 645 HN41 SXO 87 H41A SXO 87 0.289 -14.503 9.994 646 H42 SXO 87 H42A SXO 87 0.681 -13.457 7.417 647 H42A SXO 87 H42B SXO 87 -0.576 -14.695 7.356 648 H43 SXO 87 H43B SXO 87 -1.838 -13.498 9.087 649 H43A SXO 87 H43A SXO 87 -0.572 -12.261 9.140 650 H2 SXO 87 H2A SXO 87 -0.189 -9.183 5.816 651 H2A SXO 87 H2B SXO 87 -1.902 -9.518 6.090 652 H3 SXO 87 H3B SXO 87 -0.065 -10.803 4.076 653 H3A SXO 87 H3A SXO 87 -1.677 -11.416 4.447 654 H4 SXO 87 H4A SXO 87 -2.611 -9.213 3.809 655 H4A SXO 87 H4B SXO 87 -1.785 -10.025 2.478 656 H5 SXO 87 H5B SXO 87 -0.638 -7.837 4.206 657 H5A SXO 87 H5A SXO 87 0.207 -8.654 2.887 658 H6 SXO 87 H6A SXO 87 -2.306 -7.001 2.653 659 H6A SXO 87 H6B SXO 87 -1.518 -7.851 1.321 660 H7 SXO 87 H7A SXO 87 0.491 -6.486 1.626 661 H7A SXO 87 H7B SXO 87 -0.285 -5.644 2.978 662 H8 SXO 87 H8C SXO 87 -2.035 -4.854 1.463 663 H8A SXO 87 H8A SXO 87 -1.239 -5.675 0.122 664 H8B SXO 87 H8B SXO 87 -0.434 -4.334 0.935 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -17.097 13.183 -0.686 2 H2 MET 1 HT2 MET 1 -15.937 14.389 -0.423 3 H3 MET 1 HT3 MET 1 -17.546 14.815 -0.746 4 HA MET 1 HA MET 1 -17.007 15.083 1.579 5 HB2 MET 1 HB2 MET 1 -18.923 13.947 2.486 6 HB3 MET 1 HB1 MET 1 -19.314 14.494 0.864 7 HG2 MET 1 HG2 MET 1 -18.995 12.250 0.005 8 HG3 MET 1 HG1 MET 1 -18.527 11.686 1.609 9 HE1 MET 1 HE1 MET 1 -20.350 9.736 1.512 10 HE2 MET 1 HE2 MET 1 -20.794 10.264 -0.111 11 HE3 MET 1 HE3 MET 1 -22.042 10.012 1.111 12 H ALA 2 HN ALA 2 -16.219 11.929 0.299 13 HA ALA 2 HA ALA 2 -15.436 10.978 2.954 14 HB1 ALA 2 HB1 ALA 2 -16.817 9.513 1.527 15 HB2 ALA 2 HB2 ALA 2 -15.266 8.789 1.948 16 HB3 ALA 2 HB3 ALA 2 -15.510 9.473 0.342 17 H THR 3 HN THR 3 -13.363 10.101 3.342 18 HA THR 3 HA THR 3 -11.273 11.291 1.660 19 HB THR 3 HB THR 3 -11.107 11.966 3.957 20 HG1 THR 3 HG1 THR 3 -9.148 10.002 3.303 21 HG21 THR 3 HG21 THR 3 -11.056 9.037 4.675 22 HG22 THR 3 HG22 THR 3 -12.353 10.179 5.027 23 HG23 THR 3 HG23 THR 3 -10.777 10.372 5.796 24 H LEU 4 HN LEU 4 -10.721 9.939 0.097 25 HA LEU 4 HA LEU 4 -10.688 7.069 0.481 26 HB2 LEU 4 HB2 LEU 4 -9.853 8.698 -1.925 27 HB3 LEU 4 HB1 LEU 4 -10.128 6.967 -1.886 28 HG LEU 4 HG LEU 4 -12.266 9.041 -1.410 29 HD11 LEU 4 HD11 LEU 4 -13.081 8.424 -3.636 30 HD12 LEU 4 HD12 LEU 4 -11.665 7.397 -3.864 31 HD13 LEU 4 HD13 LEU 4 -11.472 9.143 -3.703 32 HD21 LEU 4 HD21 LEU 4 -12.696 6.906 -0.302 33 HD22 LEU 4 HD22 LEU 4 -12.441 6.061 -1.829 34 HD23 LEU 4 HD23 LEU 4 -13.805 7.165 -1.648 35 H LEU 5 HN LEU 5 -8.684 5.926 -0.568 36 HA LEU 5 HA LEU 5 -6.298 6.872 0.785 37 HB2 LEU 5 HB2 LEU 5 -7.211 4.386 0.374 38 HB3 LEU 5 HB1 LEU 5 -6.255 4.545 -1.083 39 HG LEU 5 HG LEU 5 -5.182 4.884 1.722 40 HD11 LEU 5 HD11 LEU 5 -4.930 2.565 -0.186 41 HD12 LEU 5 HD12 LEU 5 -5.897 2.594 1.289 42 HD13 LEU 5 HD13 LEU 5 -4.140 2.711 1.383 43 HD21 LEU 5 HD21 LEU 5 -3.946 6.134 0.000 44 HD22 LEU 5 HD22 LEU 5 -3.726 4.638 -0.912 45 HD23 LEU 5 HD23 LEU 5 -2.998 4.818 0.685 46 H THR 6 HN THR 6 -4.833 8.148 -0.208 47 HA THR 6 HA THR 6 -5.106 8.537 -3.106 48 HB THR 6 HB THR 6 -3.662 10.674 -2.291 49 HG1 THR 6 HG1 THR 6 -3.944 11.041 -0.204 50 HG21 THR 6 HG21 THR 6 -5.748 10.716 -3.611 51 HG22 THR 6 HG22 THR 6 -5.755 11.932 -2.335 52 HG23 THR 6 HG23 THR 6 -6.676 10.441 -2.137 53 H THR 7 HN THR 7 -3.102 9.258 -4.242 54 HA THR 7 HA THR 7 -1.154 7.280 -4.215 55 HB THR 7 HB THR 7 0.138 9.175 -5.544 56 HG1 THR 7 HG1 THR 7 -1.740 10.507 -6.459 57 HG21 THR 7 HG21 THR 7 -0.808 7.178 -6.557 58 HG22 THR 7 HG22 THR 7 -1.185 8.597 -7.535 59 HG23 THR 7 HG23 THR 7 -2.423 7.891 -6.496 60 H ASP 8 HN ASP 8 -0.759 10.691 -3.210 61 HA ASP 8 HA ASP 8 1.882 10.391 -2.300 62 HB2 ASP 8 HB2 ASP 8 -0.196 12.426 -1.459 63 HB3 ASP 8 HB1 ASP 8 1.522 12.532 -1.099 64 H ASP 9 HN ASP 9 -1.205 10.160 -0.634 65 HA ASP 9 HA ASP 9 -0.130 9.774 1.950 66 HB2 ASP 9 HB2 ASP 9 -2.821 9.151 0.743 67 HB3 ASP 9 HB1 ASP 9 -2.446 8.820 2.433 68 H LEU 10 HN LEU 10 -0.763 7.609 -0.721 69 HA LEU 10 HA LEU 10 -0.325 5.201 0.730 70 HB2 LEU 10 HB2 LEU 10 -1.408 5.262 -1.490 71 HB3 LEU 10 HB1 LEU 10 0.107 5.779 -2.206 72 HG LEU 10 HG LEU 10 1.137 3.635 -1.554 73 HD11 LEU 10 HD11 LEU 10 -0.221 3.145 0.402 74 HD12 LEU 10 HD12 LEU 10 -0.278 1.808 -0.747 75 HD13 LEU 10 HD13 LEU 10 -1.639 2.923 -0.621 76 HD21 LEU 10 HD21 LEU 10 -1.414 3.366 -3.139 77 HD22 LEU 10 HD22 LEU 10 -0.064 2.232 -3.165 78 HD23 LEU 10 HD23 LEU 10 0.153 3.875 -3.769 79 H ARG 11 HN ARG 11 1.758 7.368 -1.157 80 HA ARG 11 HA ARG 11 4.198 6.070 -0.832 81 HB2 ARG 11 HB2 ARG 11 3.828 8.114 -2.219 82 HB3 ARG 11 HB1 ARG 11 3.721 9.060 -0.741 83 HG2 ARG 11 HG2 ARG 11 6.028 8.464 -0.188 84 HG3 ARG 11 HG1 ARG 11 6.140 7.517 -1.670 85 HD2 ARG 11 HD2 ARG 11 7.136 9.550 -2.219 86 HD3 ARG 11 HD1 ARG 11 5.507 9.683 -2.876 87 HE ARG 11 HE ARG 11 6.374 10.936 -0.346 88 HH11 ARG 11 HH11 ARG 11 4.425 10.914 -3.247 89 HH12 ARG 11 HH12 ARG 11 3.780 12.504 -2.994 90 HH21 ARG 11 HH21 ARG 11 5.597 13.058 -0.032 91 HH22 ARG 11 HH22 ARG 11 4.464 13.738 -1.171 92 H ARG 12 HN ARG 12 2.530 8.355 1.274 93 HA ARG 12 HA ARG 12 4.339 8.465 3.386 94 HB2 ARG 12 HB2 ARG 12 1.340 8.667 3.283 95 HB3 ARG 12 HB1 ARG 12 2.227 8.824 4.792 96 HG2 ARG 12 HG2 ARG 12 3.451 10.731 3.861 97 HG3 ARG 12 HG1 ARG 12 2.533 10.571 2.360 98 HD2 ARG 12 HD2 ARG 12 1.607 12.319 3.816 99 HD3 ARG 12 HD1 ARG 12 0.462 11.008 3.549 100 HE ARG 12 HE ARG 12 1.729 10.341 5.887 101 HH11 ARG 12 HH11 ARG 12 -0.126 13.092 4.740 102 HH12 ARG 12 HH12 ARG 12 -0.657 13.549 6.332 103 HH21 ARG 12 HH21 ARG 12 1.025 10.938 7.963 104 HH22 ARG 12 HH22 ARG 12 -0.008 12.327 8.169 105 H ALA 13 HN ALA 13 1.884 6.077 2.620 106 HA ALA 13 HA ALA 13 1.696 4.833 5.108 107 HB1 ALA 13 HB1 ALA 13 0.642 3.006 3.939 108 HB2 ALA 13 HB2 ALA 13 1.303 3.569 2.403 109 HB3 ALA 13 HB3 ALA 13 0.102 4.540 3.254 110 H LEU 14 HN LEU 14 3.828 4.134 2.354 111 HA LEU 14 HA LEU 14 4.994 1.817 3.443 112 HB2 LEU 14 HB2 LEU 14 5.961 3.819 1.418 113 HB3 LEU 14 HB1 LEU 14 6.977 2.488 1.931 114 HG LEU 14 HG LEU 14 5.976 1.826 -0.107 115 HD11 LEU 14 HD11 LEU 14 6.054 0.072 1.547 116 HD12 LEU 14 HD12 LEU 14 4.618 -0.115 0.540 117 HD13 LEU 14 HD13 LEU 14 4.476 0.548 2.168 118 HD21 LEU 14 HD21 LEU 14 3.562 1.837 -0.505 119 HD22 LEU 14 HD22 LEU 14 4.172 3.461 -0.189 120 HD23 LEU 14 HD23 LEU 14 3.306 2.587 1.073 121 H VAL 15 HN VAL 15 6.004 5.208 3.559 122 HA VAL 15 HA VAL 15 8.378 4.829 5.033 123 HB VAL 15 HB VAL 15 6.591 7.273 4.956 124 HG11 VAL 15 HG11 VAL 15 9.523 7.006 5.605 125 HG12 VAL 15 HG12 VAL 15 8.230 7.373 6.748 126 HG13 VAL 15 HG13 VAL 15 8.631 8.521 5.470 127 HG21 VAL 15 HG21 VAL 15 8.900 6.522 3.165 128 HG22 VAL 15 HG22 VAL 15 8.002 8.039 3.114 129 HG23 VAL 15 HG23 VAL 15 7.198 6.522 2.711 130 H GLU 16 HN GLU 16 5.109 5.792 6.054 131 HA GLU 16 HA GLU 16 5.725 6.072 8.785 132 HB2 GLU 16 HB2 GLU 16 3.094 5.603 7.389 133 HB3 GLU 16 HB1 GLU 16 3.236 5.961 9.103 134 HG2 GLU 16 HG2 GLU 16 4.280 8.112 8.560 135 HG3 GLU 16 HG1 GLU 16 4.118 7.751 6.840 136 H SER 17 HN SER 17 5.186 3.229 6.923 137 HA SER 17 HA SER 17 4.440 1.663 9.253 138 HB2 SER 17 HB2 SER 17 4.890 0.810 6.393 139 HB3 SER 17 HB1 SER 17 4.261 -0.215 7.683 140 HG SER 17 HG SER 17 3.048 1.894 6.309 141 H ALA 18 HN ALA 18 7.024 1.388 6.776 142 HA ALA 18 HA ALA 18 8.451 -0.469 8.467 143 HB1 ALA 18 HB1 ALA 18 9.278 0.719 5.825 144 HB2 ALA 18 HB2 ALA 18 8.363 -0.775 6.031 145 HB3 ALA 18 HB3 ALA 18 10.018 -0.663 6.632 146 H GLY 19 HN GLY 19 9.229 2.718 7.048 147 HA2 GLY 19 HA2 GLY 19 10.110 4.434 8.515 148 HA3 GLY 19 HA1 GLY 19 10.921 3.162 9.415 149 H GLU 20 HN GLU 20 11.276 2.432 6.181 150 HA GLU 20 HA GLU 20 14.007 3.276 6.171 151 HB2 GLU 20 HB2 GLU 20 13.196 1.218 4.975 152 HB3 GLU 20 HB1 GLU 20 12.408 2.267 3.803 153 HG2 GLU 20 HG2 GLU 20 14.533 3.174 3.117 154 HG3 GLU 20 HG1 GLU 20 15.364 2.279 4.385 155 H THR 21 HN THR 21 14.739 5.212 5.669 156 HA THR 21 HA THR 21 12.885 7.239 4.833 157 HB THR 21 HB THR 21 14.867 8.762 5.157 158 HG1 THR 21 HG1 THR 21 16.318 6.738 4.842 159 HG21 THR 21 HG21 THR 21 14.883 8.547 7.583 160 HG22 THR 21 HG22 THR 21 14.210 6.923 7.457 161 HG23 THR 21 HG23 THR 21 13.251 8.315 6.958 162 H ASP 22 HN ASP 22 15.888 8.139 3.719 163 HA ASP 22 HA ASP 22 15.050 8.147 0.994 164 HB2 ASP 22 HB2 ASP 22 17.799 8.747 2.114 165 HB3 ASP 22 HB1 ASP 22 17.180 9.220 0.535 166 H GLY 23 HN GLY 23 14.712 5.825 0.826 167 HA2 GLY 23 HA2 GLY 23 17.158 4.230 0.594 168 HA3 GLY 23 HA1 GLY 23 15.513 3.610 0.591 169 H THR 24 HN THR 24 14.395 5.259 -1.356 170 HA THR 24 HA THR 24 15.949 5.082 -3.758 171 HB THR 24 HB THR 24 15.235 2.721 -3.463 172 HG1 THR 24 HG1 THR 24 14.991 2.572 -5.574 173 HG21 THR 24 HG21 THR 24 12.883 2.106 -3.720 174 HG22 THR 24 HG22 THR 24 12.437 3.812 -3.781 175 HG23 THR 24 HG23 THR 24 13.112 3.132 -2.302 176 H ASP 25 HN ASP 25 13.907 5.161 -5.634 177 HA ASP 25 HA ASP 25 12.896 7.832 -5.118 178 HB2 ASP 25 HB2 ASP 25 13.346 6.179 -7.507 179 HB3 ASP 25 HB1 ASP 25 11.922 7.208 -7.583 180 H LEU 26 HN LEU 26 11.439 7.111 -3.435 181 HA LEU 26 HA LEU 26 9.095 5.625 -4.235 182 HB2 LEU 26 HB2 LEU 26 10.088 5.477 -1.954 183 HB3 LEU 26 HB1 LEU 26 9.641 7.150 -1.681 184 HG LEU 26 HG LEU 26 7.254 6.498 -1.957 185 HD11 LEU 26 HD11 LEU 26 6.668 4.122 -1.838 186 HD12 LEU 26 HD12 LEU 26 8.373 3.701 -1.990 187 HD13 LEU 26 HD13 LEU 26 7.547 4.511 -3.320 188 HD21 LEU 26 HD21 LEU 26 7.059 5.405 0.222 189 HD22 LEU 26 HD22 LEU 26 8.251 6.704 0.257 190 HD23 LEU 26 HD23 LEU 26 8.781 5.024 0.186 191 H SER 27 HN SER 27 10.150 8.826 -4.387 192 HA SER 27 HA SER 27 7.514 10.020 -4.214 193 HB2 SER 27 HB2 SER 27 10.154 11.299 -4.951 194 HB3 SER 27 HB1 SER 27 8.671 12.134 -4.497 195 HG SER 27 HG SER 27 10.187 11.930 -2.759 196 H GLY 28 HN GLY 28 9.326 8.474 -6.572 197 HA2 GLY 28 HA2 GLY 28 8.216 10.037 -8.786 198 HA3 GLY 28 HA1 GLY 28 9.402 8.744 -8.920 199 H ASP 29 HN ASP 29 8.464 7.336 -10.287 200 HA ASP 29 HA ASP 29 5.648 6.731 -10.132 201 HB2 ASP 29 HB2 ASP 29 7.857 5.549 -11.822 202 HB3 ASP 29 HB1 ASP 29 6.160 5.090 -11.948 203 H PHE 30 HN PHE 30 6.267 6.106 -7.733 204 HA PHE 30 HA PHE 30 7.479 3.580 -7.303 205 HB2 PHE 30 HB2 PHE 30 6.728 3.759 -5.033 206 HB3 PHE 30 HB1 PHE 30 7.206 5.364 -5.559 207 HD1 PHE 30 HD2 PHE 30 5.228 6.877 -6.456 208 HD2 PHE 30 HD1 PHE 30 4.744 3.482 -3.939 209 HE1 PHE 30 HE2 PHE 30 3.042 7.738 -5.722 210 HE2 PHE 30 HE1 PHE 30 2.557 4.330 -3.202 211 HZ PHE 30 HZ PHE 30 1.707 6.460 -4.094 212 H LEU 31 HN LEU 31 4.260 4.608 -8.047 213 HA LEU 31 HA LEU 31 2.775 2.324 -7.484 214 HB2 LEU 31 HB2 LEU 31 2.464 4.249 -9.784 215 HB3 LEU 31 HB1 LEU 31 1.248 3.110 -9.248 216 HG LEU 31 HG LEU 31 2.310 5.413 -7.616 217 HD11 LEU 31 HD11 LEU 31 0.964 6.147 -9.514 218 HD12 LEU 31 HD12 LEU 31 0.131 6.421 -7.984 219 HD13 LEU 31 HD13 LEU 31 -0.333 5.064 -9.009 220 HD21 LEU 31 HD21 LEU 31 0.102 3.431 -7.075 221 HD22 LEU 31 HD22 LEU 31 0.425 4.875 -6.116 222 HD23 LEU 31 HD23 LEU 31 1.622 3.583 -6.194 223 H ASP 32 HN ASP 32 5.187 2.838 -9.876 224 HA ASP 32 HA ASP 32 4.139 0.776 -11.661 225 HB2 ASP 32 HB2 ASP 32 4.982 3.059 -12.440 226 HB3 ASP 32 HB1 ASP 32 6.599 2.475 -12.067 227 H LEU 33 HN LEU 33 6.591 1.278 -9.288 228 HA LEU 33 HA LEU 33 8.106 -1.080 -10.080 229 HB2 LEU 33 HB2 LEU 33 8.466 1.008 -7.950 230 HB3 LEU 33 HB1 LEU 33 9.368 -0.493 -7.896 231 HG LEU 33 HG LEU 33 10.757 1.196 -8.866 232 HD11 LEU 33 HD11 LEU 33 11.244 0.207 -11.065 233 HD12 LEU 33 HD12 LEU 33 9.723 -0.684 -10.983 234 HD13 LEU 33 HD13 LEU 33 11.003 -1.012 -9.814 235 HD21 LEU 33 HD21 LEU 33 8.566 1.632 -10.887 236 HD22 LEU 33 HD22 LEU 33 10.161 2.382 -10.918 237 HD23 LEU 33 HD23 LEU 33 9.038 2.749 -9.609 238 H ARG 34 HN ARG 34 8.342 -2.922 -8.718 239 HA ARG 34 HA ARG 34 5.970 -3.649 -7.302 240 HB2 ARG 34 HB2 ARG 34 8.628 -4.943 -7.760 241 HB3 ARG 34 HB1 ARG 34 7.507 -5.627 -6.594 242 HG2 ARG 34 HG2 ARG 34 5.865 -5.966 -8.331 243 HG3 ARG 34 HG1 ARG 34 6.915 -5.169 -9.510 244 HD2 ARG 34 HD2 ARG 34 8.324 -6.940 -9.666 245 HD3 ARG 34 HD1 ARG 34 8.091 -7.411 -7.982 246 HE ARG 34 HE ARG 34 5.751 -7.854 -9.568 247 HH11 ARG 34 HH11 ARG 34 8.900 -9.163 -8.696 248 HH12 ARG 34 HH12 ARG 34 8.433 -10.809 -8.996 249 HH21 ARG 34 HH21 ARG 34 5.152 -10.017 -9.943 250 HH22 ARG 34 HH22 ARG 34 6.311 -11.298 -9.721 251 H PHE 35 HN PHE 35 5.795 -4.223 -5.086 252 HA PHE 35 HA PHE 35 6.923 -2.549 -3.179 253 HB2 PHE 35 HB2 PHE 35 5.820 -5.346 -2.849 254 HB3 PHE 35 HB1 PHE 35 6.173 -4.251 -1.517 255 HD1 PHE 35 HD2 PHE 35 4.953 -2.009 -1.479 256 HD2 PHE 35 HD1 PHE 35 3.750 -5.281 -3.908 257 HE1 PHE 35 HE2 PHE 35 2.705 -1.026 -1.672 258 HE2 PHE 35 HE1 PHE 35 1.497 -4.308 -4.111 259 HZ PHE 35 HZ PHE 35 0.974 -2.173 -2.990 260 H GLU 36 HN GLU 36 7.931 -5.781 -4.211 261 HA GLU 36 HA GLU 36 10.105 -6.099 -2.476 262 HB2 GLU 36 HB2 GLU 36 10.942 -7.732 -4.148 263 HB3 GLU 36 HB1 GLU 36 9.253 -7.974 -3.728 264 HG2 GLU 36 HG2 GLU 36 8.506 -7.092 -5.776 265 HG3 GLU 36 HG1 GLU 36 10.094 -6.431 -6.155 266 H ASP 37 HN ASP 37 9.762 -4.191 -5.365 267 HA ASP 37 HA ASP 37 12.600 -4.033 -5.862 268 HB2 ASP 37 HB2 ASP 37 10.247 -2.602 -7.102 269 HB3 ASP 37 HB1 ASP 37 11.913 -2.259 -7.545 270 H ILE 38 HN ILE 38 10.146 -2.147 -4.244 271 HA ILE 38 HA ILE 38 12.018 0.023 -3.782 272 HB ILE 38 HB ILE 38 10.165 1.034 -2.421 273 HG12 ILE 38 HG12 ILE 38 8.583 -1.292 -3.539 274 HG13 ILE 38 HG11 ILE 38 9.000 -1.061 -1.845 275 HG21 ILE 38 HG21 ILE 38 9.583 0.315 -5.291 276 HG22 ILE 38 HG22 ILE 38 10.522 1.691 -4.713 277 HG23 ILE 38 HG23 ILE 38 8.790 1.608 -4.390 278 HD11 ILE 38 HD11 ILE 38 7.651 0.958 -1.781 279 HD12 ILE 38 HD12 ILE 38 6.695 -0.431 -2.302 280 HD13 ILE 38 HD13 ILE 38 7.250 0.756 -3.485 281 H GLY 39 HN GLY 39 11.766 -2.937 -2.555 282 HA2 GLY 39 HA2 GLY 39 13.153 -3.756 -0.878 283 HA3 GLY 39 HA1 GLY 39 13.324 -2.126 -0.255 284 H TYR 40 HN TYR 40 10.228 -3.747 -0.799 285 HA TYR 40 HA TYR 40 9.911 -3.855 2.125 286 HB2 TYR 40 HB2 TYR 40 7.921 -3.106 -0.006 287 HB3 TYR 40 HB1 TYR 40 7.416 -3.598 1.610 288 HD1 TYR 40 HD1 TYR 40 9.531 -1.129 -0.198 289 HD2 TYR 40 HD2 TYR 40 7.390 -2.034 3.365 290 HE1 TYR 40 HE1 TYR 40 9.859 1.181 0.582 291 HE2 TYR 40 HE2 TYR 40 7.718 0.267 4.155 292 HH TYR 40 HH TYR 40 9.069 2.161 3.809 293 H ASP 41 HN ASP 41 9.647 -5.767 2.952 294 HA ASP 41 HA ASP 41 9.257 -8.054 1.184 295 HB2 ASP 41 HB2 ASP 41 10.217 -9.369 2.900 296 HB3 ASP 41 HB1 ASP 41 11.127 -7.861 2.944 297 H SER 42 HN SER 42 8.169 -9.935 2.690 298 HA SER 42 HA SER 42 5.428 -9.489 2.607 299 HB2 SER 42 HB2 SER 42 5.287 -11.619 3.916 300 HB3 SER 42 HB1 SER 42 6.347 -11.724 2.506 301 H LEU 43 HN LEU 43 7.648 -9.444 5.385 302 HA LEU 43 HA LEU 43 5.641 -9.095 7.350 303 HB2 LEU 43 HB2 LEU 43 7.900 -9.922 7.853 304 HB3 LEU 43 HB1 LEU 43 8.570 -8.356 7.442 305 HG LEU 43 HG LEU 43 7.357 -7.352 9.342 306 HD11 LEU 43 HD11 LEU 43 6.554 -10.197 9.951 307 HD12 LEU 43 HD12 LEU 43 5.473 -8.907 9.426 308 HD13 LEU 43 HD13 LEU 43 6.280 -8.800 10.991 309 HD21 LEU 43 HD21 LEU 43 9.649 -8.152 9.616 310 HD22 LEU 43 HD22 LEU 43 9.038 -9.739 10.083 311 HD23 LEU 43 HD23 LEU 43 8.719 -8.333 11.102 312 H ALA 44 HN ALA 44 7.865 -6.752 5.829 313 HA ALA 44 HA ALA 44 6.797 -4.484 7.099 314 HB1 ALA 44 HB1 ALA 44 8.123 -4.648 4.398 315 HB2 ALA 44 HB2 ALA 44 8.955 -4.462 5.943 316 HB3 ALA 44 HB3 ALA 44 7.889 -3.185 5.352 317 H LEU 45 HN LEU 45 5.866 -6.209 4.190 318 HA LEU 45 HA LEU 45 4.085 -4.268 3.170 319 HB2 LEU 45 HB2 LEU 45 5.064 -6.258 1.946 320 HB3 LEU 45 HB1 LEU 45 3.874 -7.246 2.775 321 HG LEU 45 HG LEU 45 2.067 -5.954 1.714 322 HD11 LEU 45 HD11 LEU 45 3.220 -3.840 1.451 323 HD12 LEU 45 HD12 LEU 45 2.604 -4.404 -0.104 324 HD13 LEU 45 HD13 LEU 45 4.320 -4.562 0.276 325 HD21 LEU 45 HD21 LEU 45 2.837 -7.988 0.643 326 HD22 LEU 45 HD22 LEU 45 4.102 -7.093 -0.199 327 HD23 LEU 45 HD23 LEU 45 2.407 -6.786 -0.574 328 H MET 46 HN MET 46 3.539 -7.111 5.258 329 HA MET 46 HA MET 46 0.733 -6.701 5.395 330 HB2 MET 46 HB2 MET 46 0.699 -8.342 7.187 331 HB3 MET 46 HB1 MET 46 1.713 -8.897 5.863 332 HG2 MET 46 HG2 MET 46 3.696 -8.473 7.089 333 HG3 MET 46 HG1 MET 46 2.817 -7.575 8.325 334 HE1 MET 46 HE1 MET 46 0.803 -10.391 10.127 335 HE2 MET 46 HE2 MET 46 0.249 -9.412 8.768 336 HE3 MET 46 HE3 MET 46 1.180 -8.668 10.066 337 H GLU 47 HN GLU 47 3.434 -5.594 7.398 338 HA GLU 47 HA GLU 47 1.825 -4.414 9.409 339 HB2 GLU 47 HB2 GLU 47 4.631 -3.788 8.492 340 HB3 GLU 47 HB1 GLU 47 3.857 -2.966 9.842 341 HG2 GLU 47 HG2 GLU 47 3.503 -5.236 10.866 342 HG3 GLU 47 HG1 GLU 47 4.573 -5.874 9.616 343 H THR 48 HN THR 48 3.009 -3.254 6.308 344 HA THR 48 HA THR 48 2.106 -0.595 6.507 345 HB THR 48 HB THR 48 2.292 -2.288 4.004 346 HG1 THR 48 HG1 THR 48 4.289 -2.207 5.110 347 HG21 THR 48 HG21 THR 48 1.025 -0.204 3.691 348 HG22 THR 48 HG22 THR 48 2.569 -0.156 2.840 349 HG23 THR 48 HG23 THR 48 2.374 0.713 4.363 350 H ALA 49 HN ALA 49 0.505 -3.562 5.429 351 HA ALA 49 HA ALA 49 -1.919 -2.510 4.548 352 HB1 ALA 49 HB1 ALA 49 -1.505 -5.114 6.011 353 HB2 ALA 49 HB2 ALA 49 -1.255 -4.862 4.287 354 HB3 ALA 49 HB3 ALA 49 -2.871 -4.699 4.974 355 H ALA 50 HN ALA 50 -1.015 -3.602 7.804 356 HA ALA 50 HA ALA 50 -3.430 -3.052 9.101 357 HB1 ALA 50 HB1 ALA 50 -1.652 -4.405 10.085 358 HB2 ALA 50 HB2 ALA 50 -2.143 -3.103 11.168 359 HB3 ALA 50 HB3 ALA 50 -0.644 -2.968 10.253 360 H ARG 51 HN ARG 51 -0.885 -0.940 8.086 361 HA ARG 51 HA ARG 51 -1.548 1.251 9.788 362 HB2 ARG 51 HB2 ARG 51 0.648 1.423 9.177 363 HB3 ARG 51 HB1 ARG 51 0.389 0.613 7.643 364 HG2 ARG 51 HG2 ARG 51 1.002 2.749 7.032 365 HG3 ARG 51 HG1 ARG 51 -0.756 2.759 6.918 366 HD2 ARG 51 HD2 ARG 51 -0.038 4.789 7.984 367 HD3 ARG 51 HD1 ARG 51 -0.847 3.775 9.182 368 HE ARG 51 HE ARG 51 1.999 3.411 9.111 369 HH11 ARG 51 HH11 ARG 51 -0.586 5.359 10.441 370 HH12 ARG 51 HH12 ARG 51 0.345 5.895 11.806 371 HH21 ARG 51 HH21 ARG 51 3.236 4.118 10.907 372 HH22 ARG 51 HH22 ARG 51 2.506 5.171 12.080 373 H LEU 52 HN LEU 52 -2.475 0.085 6.642 374 HA LEU 52 HA LEU 52 -3.734 2.553 5.836 375 HB2 LEU 52 HB2 LEU 52 -3.812 -0.215 4.637 376 HB3 LEU 52 HB1 LEU 52 -4.532 1.208 3.908 377 HG LEU 52 HG LEU 52 -1.581 0.829 4.438 378 HD11 LEU 52 HD11 LEU 52 -1.412 0.676 1.991 379 HD12 LEU 52 HD12 LEU 52 -3.172 0.694 1.880 380 HD13 LEU 52 HD13 LEU 52 -2.355 -0.647 2.680 381 HD21 LEU 52 HD21 LEU 52 -1.331 2.854 3.084 382 HD22 LEU 52 HD22 LEU 52 -2.251 3.160 4.556 383 HD23 LEU 52 HD23 LEU 52 -3.086 3.016 3.010 384 H GLU 53 HN GLU 53 -4.704 -0.575 7.096 385 HA GLU 53 HA GLU 53 -7.437 -0.466 6.641 386 HB2 GLU 53 HB2 GLU 53 -5.984 -1.712 8.979 387 HB3 GLU 53 HB1 GLU 53 -7.643 -2.058 8.514 388 HG2 GLU 53 HG2 GLU 53 -6.855 -2.939 6.368 389 HG3 GLU 53 HG1 GLU 53 -5.193 -2.603 6.855 390 H SER 54 HN SER 54 -5.750 0.426 9.654 391 HA SER 54 HA SER 54 -8.093 1.404 10.919 392 HB2 SER 54 HB2 SER 54 -6.356 2.392 12.534 393 HB3 SER 54 HB1 SER 54 -6.371 0.640 12.337 394 HG SER 54 HG SER 54 -4.344 0.884 11.858 395 H ARG 55 HN ARG 55 -5.780 2.845 8.798 396 HA ARG 55 HA ARG 55 -6.236 5.543 9.652 397 HB2 ARG 55 HB2 ARG 55 -4.078 4.806 8.716 398 HB3 ARG 55 HB1 ARG 55 -4.863 4.466 7.184 399 HG2 ARG 55 HG2 ARG 55 -5.256 6.773 6.770 400 HG3 ARG 55 HG1 ARG 55 -4.765 7.207 8.409 401 HD2 ARG 55 HD2 ARG 55 -2.510 6.693 7.983 402 HD3 ARG 55 HD1 ARG 55 -2.905 5.817 6.506 403 HE ARG 55 HE ARG 55 -3.704 8.262 5.850 404 HH11 ARG 55 HH11 ARG 55 -0.834 7.294 7.588 405 HH12 ARG 55 HH12 ARG 55 0.193 8.488 6.855 406 HH21 ARG 55 HH21 ARG 55 -2.371 9.871 4.876 407 HH22 ARG 55 HH22 ARG 55 -0.697 9.965 5.322 408 H TYR 56 HN TYR 56 -7.301 3.546 6.912 409 HA TYR 56 HA TYR 56 -8.937 5.812 6.007 410 HB2 TYR 56 HB2 TYR 56 -8.062 3.355 4.480 411 HB3 TYR 56 HB1 TYR 56 -8.998 4.694 3.822 412 HD1 TYR 56 HD2 TYR 56 -7.951 6.966 3.683 413 HD2 TYR 56 HD1 TYR 56 -5.701 3.494 4.656 414 HE1 TYR 56 HE2 TYR 56 -5.882 8.149 3.097 415 HE2 TYR 56 HE1 TYR 56 -3.623 4.670 4.070 416 HH TYR 56 HH TYR 56 -3.484 8.025 3.591 417 H GLY 57 HN GLY 57 -9.246 3.058 7.779 418 HA2 GLY 57 HA2 GLY 57 -11.170 2.175 8.702 419 HA3 GLY 57 HA1 GLY 57 -12.104 3.249 7.674 420 H VAL 58 HN VAL 58 -9.818 0.591 6.980 421 HA VAL 58 HA VAL 58 -12.042 -0.818 5.680 422 HB VAL 58 HB VAL 58 -10.308 -1.674 3.981 423 HG11 VAL 58 HG11 VAL 58 -11.263 1.170 3.803 424 HG12 VAL 58 HG12 VAL 58 -12.185 -0.270 3.373 425 HG13 VAL 58 HG13 VAL 58 -10.741 0.159 2.457 426 HG21 VAL 58 HG21 VAL 58 -8.899 0.763 5.029 427 HG22 VAL 58 HG22 VAL 58 -8.633 0.143 3.400 428 HG23 VAL 58 HG23 VAL 58 -8.265 -0.868 4.797 429 H SER 59 HN SER 59 -11.027 -3.065 4.919 430 HA SER 59 HA SER 59 -9.275 -4.215 6.937 431 HB2 SER 59 HB2 SER 59 -11.652 -4.509 7.747 432 HB3 SER 59 HB1 SER 59 -11.978 -5.442 6.286 433 HG SER 59 HG SER 59 -11.437 -6.930 7.796 434 H ILE 60 HN ILE 60 -7.777 -5.311 5.819 435 HA ILE 60 HA ILE 60 -8.365 -5.861 3.002 436 HB ILE 60 HB ILE 60 -5.743 -5.547 4.464 437 HG12 ILE 60 HG12 ILE 60 -6.911 -3.860 2.246 438 HG13 ILE 60 HG11 ILE 60 -7.190 -3.492 3.945 439 HG21 ILE 60 HG21 ILE 60 -6.237 -6.099 1.539 440 HG22 ILE 60 HG22 ILE 60 -5.509 -7.210 2.700 441 HG23 ILE 60 HG23 ILE 60 -4.676 -5.718 2.266 442 HD11 ILE 60 HD11 ILE 60 -4.761 -3.254 4.255 443 HD12 ILE 60 HD12 ILE 60 -5.390 -2.141 3.041 444 HD13 ILE 60 HD13 ILE 60 -4.519 -3.591 2.542 445 HA PRO 61 HA PRO 61 -8.540 -10.166 4.284 446 HB2 PRO 61 HB2 PRO 61 -9.466 -10.681 1.577 447 HB3 PRO 61 HB1 PRO 61 -10.350 -10.812 3.098 448 HG2 PRO 61 HG2 PRO 61 -10.891 -8.912 1.239 449 HG3 PRO 61 HG1 PRO 61 -11.140 -8.660 2.979 450 HD2 PRO 61 HD2 PRO 61 -8.868 -7.758 1.234 451 HD3 PRO 61 HD1 PRO 61 -9.732 -6.869 2.509 452 H ASP 62 HN ASP 62 -7.433 -12.027 3.857 453 HA ASP 62 HA ASP 62 -4.828 -11.790 2.906 454 HB2 ASP 62 HB2 ASP 62 -6.316 -14.405 3.122 455 HB3 ASP 62 HB1 ASP 62 -4.602 -14.104 3.389 456 H ASP 63 HN ASP 63 -7.627 -13.407 1.416 457 HA ASP 63 HA ASP 63 -6.076 -14.458 -0.742 458 HB2 ASP 63 HB2 ASP 63 -9.067 -14.267 -0.337 459 HB3 ASP 63 HB1 ASP 63 -8.323 -15.077 -1.710 460 H VAL 64 HN VAL 64 -7.983 -11.604 -0.259 461 HA VAL 64 HA VAL 64 -8.027 -10.914 -3.049 462 HB VAL 64 HB VAL 64 -8.589 -9.152 -0.655 463 HG11 VAL 64 HG11 VAL 64 -9.358 -8.843 -3.556 464 HG12 VAL 64 HG12 VAL 64 -8.147 -7.890 -2.698 465 HG13 VAL 64 HG13 VAL 64 -9.843 -7.781 -2.233 466 HG21 VAL 64 HG21 VAL 64 -10.037 -11.093 -0.655 467 HG22 VAL 64 HG22 VAL 64 -10.454 -10.807 -2.345 468 HG23 VAL 64 HG23 VAL 64 -10.950 -9.652 -1.105 469 H ALA 65 HN ALA 65 -6.099 -10.088 -0.221 470 HA ALA 65 HA ALA 65 -4.691 -7.917 -1.371 471 HB1 ALA 65 HB1 ALA 65 -3.842 -9.698 0.899 472 HB2 ALA 65 HB2 ALA 65 -4.876 -8.278 1.052 473 HB3 ALA 65 HB3 ALA 65 -3.201 -8.099 0.525 474 H GLY 66 HN GLY 66 -3.921 -11.337 -1.017 475 HA2 GLY 66 HA2 GLY 66 -1.284 -11.057 -2.121 476 HA3 GLY 66 HA1 GLY 66 -2.095 -12.565 -1.728 477 H ARG 67 HN ARG 67 -3.323 -10.086 -3.910 478 HA ARG 67 HA ARG 67 -2.673 -11.815 -6.191 479 HB2 ARG 67 HB2 ARG 67 -5.372 -10.622 -5.552 480 HB3 ARG 67 HB1 ARG 67 -4.941 -11.189 -7.163 481 HG2 ARG 67 HG2 ARG 67 -4.478 -13.424 -6.184 482 HG3 ARG 67 HG1 ARG 67 -5.077 -12.824 -4.638 483 HD2 ARG 67 HD2 ARG 67 -6.690 -12.805 -7.176 484 HD3 ARG 67 HD1 ARG 67 -6.738 -14.115 -6.002 485 HE ARG 67 HE ARG 67 -7.416 -12.237 -4.392 486 HH11 ARG 67 HH11 ARG 67 -8.199 -12.331 -7.801 487 HH12 ARG 67 HH12 ARG 67 -9.744 -11.558 -7.603 488 HH21 ARG 67 HH21 ARG 67 -9.481 -11.237 -4.125 489 HH22 ARG 67 HH22 ARG 67 -10.459 -10.912 -5.518 490 H VAL 68 HN VAL 68 -2.139 -8.972 -4.816 491 HA VAL 68 HA VAL 68 -2.221 -7.383 -7.266 492 HB VAL 68 HB VAL 68 -1.386 -5.514 -5.910 493 HG11 VAL 68 HG11 VAL 68 -3.724 -6.929 -4.640 494 HG12 VAL 68 HG12 VAL 68 -3.791 -5.862 -6.043 495 HG13 VAL 68 HG13 VAL 68 -3.338 -5.217 -4.464 496 HG21 VAL 68 HG21 VAL 68 -1.472 -7.436 -3.585 497 HG22 VAL 68 HG22 VAL 68 -1.090 -5.717 -3.506 498 HG23 VAL 68 HG23 VAL 68 -0.005 -6.824 -4.347 499 H ASP 69 HN ASP 69 -0.047 -5.941 -7.388 500 HA ASP 69 HA ASP 69 2.298 -7.611 -6.948 501 HB2 ASP 69 HB2 ASP 69 1.325 -8.116 -9.251 502 HB3 ASP 69 HB1 ASP 69 1.757 -6.468 -9.693 503 H THR 70 HN THR 70 1.235 -4.625 -8.563 504 HA THR 70 HA THR 70 3.443 -3.204 -7.246 505 HB THR 70 HB THR 70 2.979 -1.412 -8.963 506 HG1 THR 70 HG1 THR 70 1.842 -2.611 -10.880 507 HG21 THR 70 HG21 THR 70 4.086 -2.618 -10.804 508 HG22 THR 70 HG22 THR 70 3.747 -4.147 -9.993 509 HG23 THR 70 HG23 THR 70 4.829 -2.972 -9.244 510 HA PRO 71 HA PRO 71 0.860 -0.676 -4.642 511 HB2 PRO 71 HB2 PRO 71 2.066 1.629 -6.118 512 HB3 PRO 71 HB1 PRO 71 1.889 1.385 -4.378 513 HG2 PRO 71 HG2 PRO 71 4.242 1.023 -5.518 514 HG3 PRO 71 HG1 PRO 71 3.678 -0.123 -4.288 515 HD2 PRO 71 HD2 PRO 71 3.773 -0.421 -7.260 516 HD3 PRO 71 HD1 PRO 71 4.079 -1.632 -5.998 517 H ARG 72 HN ARG 72 1.055 0.165 -8.067 518 HA ARG 72 HA ARG 72 -1.193 1.741 -8.399 519 HB2 ARG 72 HB2 ARG 72 0.409 1.250 -10.183 520 HB3 ARG 72 HB1 ARG 72 -0.135 -0.416 -10.232 521 HG2 ARG 72 HG2 ARG 72 -2.358 0.353 -10.950 522 HG3 ARG 72 HG1 ARG 72 -1.762 2.015 -10.946 523 HD2 ARG 72 HD2 ARG 72 -0.652 -0.236 -12.615 524 HD3 ARG 72 HD1 ARG 72 -1.737 1.031 -13.196 525 HE ARG 72 HE ARG 72 0.178 2.561 -12.330 526 HH11 ARG 72 HH11 ARG 72 0.545 -0.481 -14.011 527 HH12 ARG 72 HH12 ARG 72 2.112 -0.088 -14.630 528 HH21 ARG 72 HH21 ARG 72 2.231 3.077 -13.151 529 HH22 ARG 72 HH22 ARG 72 3.096 1.913 -14.121 530 H GLU 73 HN GLU 73 -0.972 -1.782 -8.645 531 HA GLU 73 HA GLU 73 -3.721 -2.271 -9.017 532 HB2 GLU 73 HB2 GLU 73 -1.742 -4.153 -7.733 533 HB3 GLU 73 HB1 GLU 73 -3.189 -4.578 -8.635 534 HG2 GLU 73 HG2 GLU 73 -0.735 -3.271 -9.794 535 HG3 GLU 73 HG1 GLU 73 -1.117 -4.989 -9.880 536 H LEU 74 HN LEU 74 -1.668 -2.248 -6.148 537 HA LEU 74 HA LEU 74 -3.531 -3.194 -4.268 538 HB2 LEU 74 HB2 LEU 74 -1.004 -2.917 -4.063 539 HB3 LEU 74 HB1 LEU 74 -1.310 -1.232 -3.719 540 HG LEU 74 HG LEU 74 -0.893 -2.747 -1.731 541 HD11 LEU 74 HD11 LEU 74 -2.606 -1.686 -0.340 542 HD12 LEU 74 HD12 LEU 74 -3.463 -1.178 -1.796 543 HD13 LEU 74 HD13 LEU 74 -1.856 -0.541 -1.450 544 HD21 LEU 74 HD21 LEU 74 -3.688 -3.672 -2.376 545 HD22 LEU 74 HD22 LEU 74 -2.776 -4.064 -0.917 546 HD23 LEU 74 HD23 LEU 74 -2.222 -4.644 -2.489 547 H LEU 75 HN LEU 75 -2.668 0.121 -5.204 548 HA LEU 75 HA LEU 75 -4.337 1.461 -3.430 549 HB2 LEU 75 HB2 LEU 75 -2.563 2.510 -4.800 550 HB3 LEU 75 HB1 LEU 75 -3.571 2.308 -6.220 551 HG LEU 75 HG LEU 75 -5.245 3.830 -5.251 552 HD11 LEU 75 HD11 LEU 75 -4.686 5.133 -3.250 553 HD12 LEU 75 HD12 LEU 75 -3.245 4.142 -3.013 554 HD13 LEU 75 HD13 LEU 75 -4.848 3.414 -2.893 555 HD21 LEU 75 HD21 LEU 75 -3.918 5.896 -5.426 556 HD22 LEU 75 HD22 LEU 75 -3.549 4.748 -6.714 557 HD23 LEU 75 HD23 LEU 75 -2.441 4.938 -5.353 558 H ASP 76 HN ASP 76 -4.973 0.470 -6.776 559 HA ASP 76 HA ASP 76 -7.573 1.554 -6.897 560 HB2 ASP 76 HB2 ASP 76 -6.125 0.924 -8.859 561 HB3 ASP 76 HB1 ASP 76 -6.518 -0.760 -8.525 562 H LEU 77 HN LEU 77 -6.361 -1.573 -5.868 563 HA LEU 77 HA LEU 77 -8.778 -3.005 -5.859 564 HB2 LEU 77 HB2 LEU 77 -6.565 -4.044 -5.609 565 HB3 LEU 77 HB1 LEU 77 -6.375 -3.284 -4.044 566 HG LEU 77 HG LEU 77 -8.342 -4.602 -3.234 567 HD11 LEU 77 HD11 LEU 77 -8.034 -6.017 -5.877 568 HD12 LEU 77 HD12 LEU 77 -9.406 -5.027 -5.379 569 HD13 LEU 77 HD13 LEU 77 -9.055 -6.536 -4.537 570 HD21 LEU 77 HD21 LEU 77 -6.032 -6.212 -4.312 571 HD22 LEU 77 HD22 LEU 77 -7.107 -6.680 -2.993 572 HD23 LEU 77 HD23 LEU 77 -6.034 -5.294 -2.805 573 H ILE 78 HN ILE 78 -7.237 -0.992 -3.405 574 HA ILE 78 HA ILE 78 -9.348 -1.421 -1.497 575 HB ILE 78 HB ILE 78 -7.079 0.583 -1.456 576 HG12 ILE 78 HG12 ILE 78 -7.374 -2.129 -0.143 577 HG13 ILE 78 HG11 ILE 78 -6.325 -1.756 -1.506 578 HG21 ILE 78 HG21 ILE 78 -8.959 -0.307 0.737 579 HG22 ILE 78 HG22 ILE 78 -8.878 1.295 0.003 580 HG23 ILE 78 HG23 ILE 78 -7.530 0.700 0.970 581 HD11 ILE 78 HD11 ILE 78 -6.073 -0.748 1.321 582 HD12 ILE 78 HD12 ILE 78 -5.087 -0.190 -0.033 583 HD13 ILE 78 HD13 ILE 78 -5.009 -1.877 0.477 584 H ASN 79 HN ASN 79 -8.427 1.082 -3.813 585 HA ASN 79 HA ASN 79 -10.286 3.052 -3.128 586 HB2 ASN 79 HB2 ASN 79 -9.128 2.260 -5.799 587 HB3 ASN 79 HB1 ASN 79 -10.241 3.608 -5.627 588 HD21 ASN 79 HD21 ASN 79 -9.106 4.307 -2.981 589 HD22 ASN 79 HD22 ASN 79 -7.612 5.104 -3.335 590 H GLY 80 HN GLY 80 -10.626 0.207 -5.205 591 HA2 GLY 80 HA2 GLY 80 -13.145 0.669 -6.262 592 HA3 GLY 80 HA1 GLY 80 -12.465 -0.922 -5.965 593 H ALA 81 HN ALA 81 -12.316 -0.762 -3.136 594 HA ALA 81 HA ALA 81 -15.024 -1.450 -2.496 595 HB1 ALA 81 HB1 ALA 81 -14.156 -1.995 -0.291 596 HB2 ALA 81 HB2 ALA 81 -12.628 -1.199 -0.674 597 HB3 ALA 81 HB3 ALA 81 -13.112 -2.653 -1.548 598 H LEU 82 HN LEU 82 -12.841 1.190 -1.642 599 HA LEU 82 HA LEU 82 -14.617 2.458 0.171 600 HB2 LEU 82 HB2 LEU 82 -12.146 3.301 -1.306 601 HB3 LEU 82 HB1 LEU 82 -13.062 4.468 -0.376 602 HG LEU 82 HG LEU 82 -11.834 1.941 0.731 603 HD11 LEU 82 HD11 LEU 82 -10.248 3.439 1.836 604 HD12 LEU 82 HD12 LEU 82 -10.950 4.815 0.986 605 HD13 LEU 82 HD13 LEU 82 -10.124 3.545 0.081 606 HD21 LEU 82 HD21 LEU 82 -13.205 4.252 2.103 607 HD22 LEU 82 HD22 LEU 82 -12.384 2.919 2.914 608 HD23 LEU 82 HD23 LEU 82 -13.827 2.610 1.949 609 H ALA 83 HN ALA 83 -14.239 2.540 -3.284 610 HA ALA 83 HA ALA 83 -15.650 4.943 -3.797 611 HB1 ALA 83 HB1 ALA 83 -15.758 4.166 -6.096 612 HB2 ALA 83 HB2 ALA 83 -15.270 2.548 -5.586 613 HB3 ALA 83 HB3 ALA 83 -14.154 3.901 -5.418 614 H GLU 84 HN GLU 84 -16.726 1.861 -2.804 615 HA GLU 84 HA GLU 84 -19.308 1.984 -4.063 616 HB2 GLU 84 HB2 GLU 84 -18.344 0.199 -1.819 617 HB3 GLU 84 HB1 GLU 84 -19.825 -0.013 -2.743 618 HG2 GLU 84 HG2 GLU 84 -18.467 -0.309 -4.780 619 HG3 GLU 84 HG1 GLU 84 -17.011 -0.210 -3.789 620 H ALA 85 HN ALA 85 -17.942 3.458 -1.362 621 HA ALA 85 HA ALA 85 -20.068 3.376 0.489 622 HB1 ALA 85 HB1 ALA 85 -18.924 5.238 1.591 623 HB2 ALA 85 HB2 ALA 85 -17.903 5.448 0.168 624 HB3 ALA 85 HB3 ALA 85 -17.786 3.972 1.124 625 H ALA 86 HN ALA 86 -21.884 4.495 0.651 626 HA ALA 86 HA ALA 86 -22.200 7.076 -0.634 627 HB1 ALA 86 HB1 ALA 86 -24.068 4.774 -1.203 628 HB2 ALA 86 HB2 ALA 86 -22.954 5.511 -2.355 629 HB3 ALA 86 HB3 ALA 86 -24.304 6.446 -1.713 630 H28 SXO 87 H28B SXO 87 5.235 -12.161 5.932 631 H28A SXO 87 H28A SXO 87 6.011 -13.350 6.981 632 H30 SXO 87 H30A SXO 87 2.285 -13.516 7.415 633 H30A SXO 87 H30C SXO 87 3.779 -13.000 8.199 634 H30B SXO 87 H30B SXO 87 3.130 -12.078 6.843 635 H31 SXO 87 H31A SXO 87 3.957 -14.506 4.229 636 H31A SXO 87 H31B SXO 87 3.087 -13.019 4.606 637 H31B SXO 87 H31C SXO 87 2.411 -14.579 5.082 638 H32 SXO 87 H32A SXO 87 4.613 -15.264 7.905 639 HO33 SXO 87 H33A SXO 87 4.859 -16.440 5.345 640 HN36 SXO 87 H36A SXO 87 2.109 -14.925 8.135 641 H37 SXO 87 H37A SXO 87 0.798 -17.451 7.415 642 H37A SXO 87 H37B SXO 87 0.345 -16.360 8.721 643 H38 SXO 87 H38B SXO 87 -0.352 -14.707 6.948 644 H38A SXO 87 H38A SXO 87 -1.341 -16.161 7.100 645 HN41 SXO 87 H41A SXO 87 -0.851 -14.271 4.893 646 H42 SXO 87 H42A SXO 87 0.656 -15.277 2.805 647 H42A SXO 87 H42B SXO 87 -0.918 -16.072 2.724 648 H43 SXO 87 H43B SXO 87 -0.783 -14.044 1.311 649 H43A SXO 87 H43A SXO 87 -2.023 -13.916 2.570 650 H2 SXO 87 H2A SXO 87 -0.458 -9.962 3.424 651 H2A SXO 87 H2B SXO 87 -2.141 -9.801 2.923 652 H3 SXO 87 H3B SXO 87 0.288 -9.126 1.268 653 H3A SXO 87 H3A SXO 87 -1.387 -9.007 0.726 654 H4 SXO 87 H4A SXO 87 -0.122 -7.486 2.999 655 H4A SXO 87 H4B SXO 87 -1.832 -7.420 2.560 656 H5 SXO 87 H5B SXO 87 0.461 -6.639 0.759 657 H5A SXO 87 H5A SXO 87 -1.257 -6.538 0.363 658 H6 SXO 87 H6A SXO 87 0.109 -5.041 2.603 659 H6A SXO 87 H6B SXO 87 -1.594 -4.922 2.152 660 H7 SXO 87 H7A SXO 87 -0.999 -4.003 -0.004 661 H7A SXO 87 H7B SXO 87 0.722 -4.197 0.361 662 H8 SXO 87 H8C SXO 87 -1.236 -2.464 1.866 663 H8A SXO 87 H8A SXO 87 -0.016 -1.893 0.729 664 H8B SXO 87 H8B SXO 87 0.477 -2.650 2.244 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -19.202 13.740 2.933 2 H2 MET 1 HT2 MET 1 -17.892 13.624 4.007 3 H3 MET 1 HT3 MET 1 -18.954 12.318 3.824 4 HA MET 1 HA MET 1 -18.270 12.029 1.538 5 HB2 MET 1 HB2 MET 1 -16.361 13.270 0.661 6 HB3 MET 1 HB1 MET 1 -17.652 14.374 1.091 7 HG2 MET 1 HG2 MET 1 -16.496 14.957 3.151 8 HG3 MET 1 HG1 MET 1 -15.209 13.820 2.755 9 HE1 MET 1 HE1 MET 1 -13.537 17.354 2.295 10 HE2 MET 1 HE2 MET 1 -13.413 15.789 3.098 11 HE3 MET 1 HE3 MET 1 -14.737 16.884 3.497 12 H ALA 2 HN ALA 2 -16.720 10.454 1.150 13 HA ALA 2 HA ALA 2 -15.360 9.488 3.535 14 HB1 ALA 2 HB1 ALA 2 -15.032 7.431 2.271 15 HB2 ALA 2 HB2 ALA 2 -15.686 8.201 0.826 16 HB3 ALA 2 HB3 ALA 2 -16.724 7.930 2.225 17 H THR 3 HN THR 3 -13.170 9.199 3.705 18 HA THR 3 HA THR 3 -11.570 10.870 1.966 19 HB THR 3 HB THR 3 -11.136 11.153 4.299 20 HG1 THR 3 HG1 THR 3 -9.060 9.619 3.096 21 HG21 THR 3 HG21 THR 3 -10.621 8.184 4.444 22 HG22 THR 3 HG22 THR 3 -11.996 9.039 5.140 23 HG23 THR 3 HG23 THR 3 -10.370 9.332 5.761 24 H LEU 4 HN LEU 4 -10.897 10.006 0.133 25 HA LEU 4 HA LEU 4 -10.544 7.188 -0.242 26 HB2 LEU 4 HB2 LEU 4 -9.905 9.540 -2.023 27 HB3 LEU 4 HB1 LEU 4 -9.758 7.863 -2.510 28 HG LEU 4 HG LEU 4 -12.337 9.201 -1.683 29 HD11 LEU 4 HD11 LEU 4 -12.924 9.080 -4.048 30 HD12 LEU 4 HD12 LEU 4 -11.321 8.443 -4.420 31 HD13 LEU 4 HD13 LEU 4 -11.498 10.083 -3.795 32 HD21 LEU 4 HD21 LEU 4 -12.316 6.816 -1.208 33 HD22 LEU 4 HD22 LEU 4 -11.779 6.475 -2.852 34 HD23 LEU 4 HD23 LEU 4 -13.380 7.161 -2.571 35 H LEU 5 HN LEU 5 -8.606 6.136 -0.834 36 HA LEU 5 HA LEU 5 -6.238 7.146 0.481 37 HB2 LEU 5 HB2 LEU 5 -6.842 4.785 0.683 38 HB3 LEU 5 HB1 LEU 5 -6.746 4.596 -1.056 39 HG LEU 5 HG LEU 5 -4.333 5.046 -0.976 40 HD11 LEU 5 HD11 LEU 5 -4.288 6.498 0.979 41 HD12 LEU 5 HD12 LEU 5 -3.175 5.143 1.173 42 HD13 LEU 5 HD13 LEU 5 -4.729 5.135 2.008 43 HD21 LEU 5 HD21 LEU 5 -5.118 2.744 -0.834 44 HD22 LEU 5 HD22 LEU 5 -5.236 2.885 0.920 45 HD23 LEU 5 HD23 LEU 5 -3.660 2.975 0.133 46 H THR 6 HN THR 6 -4.585 8.178 -0.548 47 HA THR 6 HA THR 6 -4.783 8.386 -3.480 48 HB THR 6 HB THR 6 -3.734 10.545 -3.333 49 HG1 THR 6 HG1 THR 6 -3.713 10.667 -0.544 50 HG21 THR 6 HG21 THR 6 -6.135 10.525 -2.976 51 HG22 THR 6 HG22 THR 6 -5.390 11.781 -1.986 52 HG23 THR 6 HG23 THR 6 -5.900 10.262 -1.248 53 H THR 7 HN THR 7 -2.604 9.078 -4.456 54 HA THR 7 HA THR 7 -0.659 7.102 -4.229 55 HB THR 7 HB THR 7 -0.194 9.947 -5.160 56 HG1 THR 7 HG1 THR 7 -0.771 8.766 -7.269 57 HG21 THR 7 HG21 THR 7 1.056 7.319 -5.964 58 HG22 THR 7 HG22 THR 7 1.823 8.594 -5.019 59 HG23 THR 7 HG23 THR 7 1.402 8.882 -6.706 60 H ASP 8 HN ASP 8 -0.655 10.433 -2.936 61 HA ASP 8 HA ASP 8 1.922 10.171 -1.755 62 HB2 ASP 8 HB2 ASP 8 1.018 12.351 -2.439 63 HB3 ASP 8 HB1 ASP 8 -0.231 12.224 -1.204 64 H ASP 9 HN ASP 9 -1.382 9.883 -0.490 65 HA ASP 9 HA ASP 9 -0.660 9.617 2.222 66 HB2 ASP 9 HB2 ASP 9 -3.046 8.637 0.664 67 HB3 ASP 9 HB1 ASP 9 -2.850 8.280 2.377 68 H LEU 10 HN LEU 10 -0.929 7.258 -0.385 69 HA LEU 10 HA LEU 10 -0.283 4.966 1.114 70 HB2 LEU 10 HB2 LEU 10 -1.145 4.836 -1.162 71 HB3 LEU 10 HB1 LEU 10 0.287 5.634 -1.776 72 HG LEU 10 HG LEU 10 1.644 3.682 -1.045 73 HD11 LEU 10 HD11 LEU 10 0.505 1.602 -0.465 74 HD12 LEU 10 HD12 LEU 10 -1.041 2.452 -0.456 75 HD13 LEU 10 HD13 LEU 10 0.200 2.865 0.729 76 HD21 LEU 10 HD21 LEU 10 0.884 2.181 -2.828 77 HD22 LEU 10 HD22 LEU 10 0.879 3.867 -3.348 78 HD23 LEU 10 HD23 LEU 10 -0.636 3.071 -2.922 79 H ARG 11 HN ARG 11 1.721 7.260 -0.674 80 HA ARG 11 HA ARG 11 4.250 6.234 -0.217 81 HB2 ARG 11 HB2 ARG 11 3.890 8.056 -1.733 82 HB3 ARG 11 HB1 ARG 11 3.271 9.080 -0.448 83 HG2 ARG 11 HG2 ARG 11 5.530 9.060 0.578 84 HG3 ARG 11 HG1 ARG 11 6.108 8.156 -0.826 85 HD2 ARG 11 HD2 ARG 11 4.789 10.867 -0.934 86 HD3 ARG 11 HD1 ARG 11 6.529 10.589 -0.997 87 HE ARG 11 HE ARG 11 6.014 9.250 -3.074 88 HH11 ARG 11 HH11 ARG 11 3.955 11.905 -2.022 89 HH12 ARG 11 HH12 ARG 11 3.451 12.301 -3.637 90 HH21 ARG 11 HH21 ARG 11 5.312 9.767 -5.182 91 HH22 ARG 11 HH22 ARG 11 4.213 11.084 -5.433 92 H ARG 12 HN ARG 12 2.138 7.933 1.980 93 HA ARG 12 HA ARG 12 4.212 8.507 3.897 94 HB2 ARG 12 HB2 ARG 12 1.208 8.644 4.195 95 HB3 ARG 12 HB1 ARG 12 2.380 9.293 5.331 96 HG2 ARG 12 HG2 ARG 12 2.091 10.200 2.474 97 HG3 ARG 12 HG1 ARG 12 1.353 11.004 3.861 98 HD2 ARG 12 HD2 ARG 12 3.377 12.154 3.252 99 HD3 ARG 12 HD1 ARG 12 3.612 11.354 4.804 100 HE ARG 12 HE ARG 12 4.503 9.647 2.773 101 HH11 ARG 12 HH11 ARG 12 5.364 12.722 4.212 102 HH12 ARG 12 HH12 ARG 12 7.072 12.515 3.932 103 HH21 ARG 12 HH21 ARG 12 6.755 9.366 2.432 104 HH22 ARG 12 HH22 ARG 12 7.862 10.600 2.952 105 H ALA 13 HN ALA 13 1.843 5.989 3.379 106 HA ALA 13 HA ALA 13 1.743 4.937 5.977 107 HB1 ALA 13 HB1 ALA 13 0.129 4.415 4.200 108 HB2 ALA 13 HB2 ALA 13 0.777 2.966 4.971 109 HB3 ALA 13 HB3 ALA 13 1.365 3.461 3.382 110 H LEU 14 HN LEU 14 3.929 4.257 3.291 111 HA LEU 14 HA LEU 14 5.201 2.011 4.418 112 HB2 LEU 14 HB2 LEU 14 6.119 4.052 2.403 113 HB3 LEU 14 HB1 LEU 14 7.147 2.731 2.916 114 HG LEU 14 HG LEU 14 6.176 2.094 0.846 115 HD11 LEU 14 HD11 LEU 14 4.922 0.097 1.408 116 HD12 LEU 14 HD12 LEU 14 4.657 0.711 3.040 117 HD13 LEU 14 HD13 LEU 14 6.288 0.321 2.499 118 HD21 LEU 14 HD21 LEU 14 3.798 2.044 0.410 119 HD22 LEU 14 HD22 LEU 14 4.324 3.678 0.812 120 HD23 LEU 14 HD23 LEU 14 3.471 2.706 2.012 121 H VAL 15 HN VAL 15 5.680 5.454 4.850 122 HA VAL 15 HA VAL 15 8.159 5.153 6.304 123 HB VAL 15 HB VAL 15 6.383 7.594 6.133 124 HG11 VAL 15 HG11 VAL 15 8.069 7.631 7.926 125 HG12 VAL 15 HG12 VAL 15 8.379 8.843 6.684 126 HG13 VAL 15 HG13 VAL 15 9.329 7.359 6.724 127 HG21 VAL 15 HG21 VAL 15 6.950 6.880 3.891 128 HG22 VAL 15 HG22 VAL 15 8.652 6.753 4.336 129 HG23 VAL 15 HG23 VAL 15 7.863 8.329 4.308 130 H GLU 16 HN GLU 16 4.754 5.722 7.032 131 HA GLU 16 HA GLU 16 4.948 6.150 9.792 132 HB2 GLU 16 HB2 GLU 16 2.748 4.808 8.204 133 HB3 GLU 16 HB1 GLU 16 2.601 5.309 9.882 134 HG2 GLU 16 HG2 GLU 16 2.948 7.627 9.234 135 HG3 GLU 16 HG1 GLU 16 3.112 7.137 7.546 136 H SER 17 HN SER 17 4.929 3.214 7.907 137 HA SER 17 HA SER 17 4.744 1.523 10.242 138 HB2 SER 17 HB2 SER 17 5.277 0.717 7.386 139 HB3 SER 17 HB1 SER 17 4.652 -0.296 8.691 140 HG SER 17 HG SER 17 3.370 1.746 7.237 141 H ALA 18 HN ALA 18 7.150 1.978 7.629 142 HA ALA 18 HA ALA 18 9.142 0.749 9.420 143 HB1 ALA 18 HB1 ALA 18 8.696 -0.593 7.437 144 HB2 ALA 18 HB2 ALA 18 10.341 0.041 7.407 145 HB3 ALA 18 HB3 ALA 18 9.096 0.780 6.403 146 H GLY 19 HN GLY 19 9.343 2.766 6.493 147 HA2 GLY 19 HA2 GLY 19 10.301 4.860 6.210 148 HA3 GLY 19 HA1 GLY 19 10.560 4.942 7.943 149 H GLU 20 HN GLU 20 12.461 4.134 8.826 150 HA GLU 20 HA GLU 20 14.676 3.725 8.952 151 HB2 GLU 20 HB2 GLU 20 14.047 2.211 6.426 152 HB3 GLU 20 HB1 GLU 20 15.674 2.269 7.073 153 HG2 GLU 20 HG2 GLU 20 14.635 1.438 9.257 154 HG3 GLU 20 HG1 GLU 20 13.232 1.033 8.267 155 H THR 21 HN THR 21 16.776 3.777 7.228 156 HA THR 21 HA THR 21 16.927 6.549 6.551 157 HB THR 21 HB THR 21 19.284 5.867 5.840 158 HG1 THR 21 HG1 THR 21 19.130 3.694 5.459 159 HG21 THR 21 HG21 THR 21 18.843 6.819 8.041 160 HG22 THR 21 HG22 THR 21 20.046 5.534 8.164 161 HG23 THR 21 HG23 THR 21 18.379 5.230 8.650 162 H ASP 22 HN ASP 22 18.600 6.501 4.302 163 HA ASP 22 HA ASP 22 16.640 6.206 2.234 164 HB2 ASP 22 HB2 ASP 22 19.551 7.027 2.105 165 HB3 ASP 22 HB1 ASP 22 18.450 7.039 0.729 166 H GLY 23 HN GLY 23 16.490 3.830 2.741 167 HA2 GLY 23 HA2 GLY 23 18.539 2.209 1.441 168 HA3 GLY 23 HA1 GLY 23 17.091 1.611 2.245 169 H THR 24 HN THR 24 15.631 3.779 0.658 170 HA THR 24 HA THR 24 15.810 2.955 -2.076 171 HB THR 24 HB THR 24 14.510 1.070 -1.073 172 HG1 THR 24 HG1 THR 24 12.687 1.323 -2.581 173 HG21 THR 24 HG21 THR 24 12.222 1.466 -0.285 174 HG22 THR 24 HG22 THR 24 12.447 3.204 -0.480 175 HG23 THR 24 HG23 THR 24 13.389 2.323 0.722 176 H ASP 25 HN ASP 25 13.530 3.970 -3.128 177 HA ASP 25 HA ASP 25 13.123 6.544 -1.787 178 HB2 ASP 25 HB2 ASP 25 13.965 7.791 -3.453 179 HB3 ASP 25 HB1 ASP 25 14.746 6.314 -3.992 180 H LEU 26 HN LEU 26 11.132 7.390 -1.907 181 HA LEU 26 HA LEU 26 9.083 5.772 -3.280 182 HB2 LEU 26 HB2 LEU 26 8.821 7.462 -0.785 183 HB3 LEU 26 HB1 LEU 26 7.518 6.570 -1.544 184 HG LEU 26 HG LEU 26 9.974 5.332 -0.295 185 HD11 LEU 26 HD11 LEU 26 8.513 6.332 1.372 186 HD12 LEU 26 HD12 LEU 26 8.425 4.573 1.445 187 HD13 LEU 26 HD13 LEU 26 7.125 5.490 0.684 188 HD21 LEU 26 HD21 LEU 26 8.775 3.221 -0.594 189 HD22 LEU 26 HD22 LEU 26 9.092 4.008 -2.140 190 HD23 LEU 26 HD23 LEU 26 7.479 4.074 -1.432 191 H SER 27 HN SER 27 10.709 8.150 -4.186 192 HA SER 27 HA SER 27 8.568 10.134 -4.525 193 HB2 SER 27 HB2 SER 27 10.430 11.625 -5.341 194 HB3 SER 27 HB1 SER 27 10.581 11.120 -3.663 195 HG SER 27 HG SER 27 11.822 9.296 -5.132 196 H GLY 28 HN GLY 28 10.542 7.841 -6.208 197 HA2 GLY 28 HA2 GLY 28 9.899 8.830 -8.836 198 HA3 GLY 28 HA1 GLY 28 10.715 7.321 -8.453 199 H ASP 29 HN ASP 29 9.356 6.504 -10.207 200 HA ASP 29 HA ASP 29 6.515 6.344 -9.756 201 HB2 ASP 29 HB2 ASP 29 6.610 4.861 -11.834 202 HB3 ASP 29 HB1 ASP 29 7.104 6.539 -12.030 203 H PHE 30 HN PHE 30 6.626 5.287 -7.690 204 HA PHE 30 HA PHE 30 7.582 2.579 -7.549 205 HB2 PHE 30 HB2 PHE 30 6.606 2.613 -5.252 206 HB3 PHE 30 HB1 PHE 30 7.741 3.919 -5.557 207 HD1 PHE 30 HD2 PHE 30 6.959 6.225 -5.743 208 HD2 PHE 30 HD1 PHE 30 4.284 3.042 -4.863 209 HE1 PHE 30 HE2 PHE 30 5.266 7.858 -5.011 210 HE2 PHE 30 HE1 PHE 30 2.588 4.662 -4.136 211 HZ PHE 30 HZ PHE 30 3.106 7.090 -4.170 212 H LEU 31 HN LEU 31 4.487 4.143 -8.008 213 HA LEU 31 HA LEU 31 2.725 2.041 -7.542 214 HB2 LEU 31 HB2 LEU 31 2.594 4.227 -9.619 215 HB3 LEU 31 HB1 LEU 31 1.264 3.149 -9.252 216 HG LEU 31 HG LEU 31 2.519 4.962 -7.213 217 HD11 LEU 31 HD11 LEU 31 1.601 6.338 -8.977 218 HD12 LEU 31 HD12 LEU 31 0.568 6.419 -7.549 219 HD13 LEU 31 HD13 LEU 31 0.092 5.429 -8.928 220 HD21 LEU 31 HD21 LEU 31 1.356 3.235 -6.121 221 HD22 LEU 31 HD22 LEU 31 0.031 3.288 -7.280 222 HD23 LEU 31 HD23 LEU 31 0.252 4.608 -6.133 223 H ASP 32 HN ASP 32 4.897 2.583 -10.193 224 HA ASP 32 HA ASP 32 3.473 0.723 -11.935 225 HB2 ASP 32 HB2 ASP 32 4.368 3.097 -12.555 226 HB3 ASP 32 HB1 ASP 32 5.926 2.292 -12.680 227 H LEU 33 HN LEU 33 5.273 0.089 -9.547 228 HA LEU 33 HA LEU 33 6.774 -2.056 -10.858 229 HB2 LEU 33 HB2 LEU 33 7.878 -0.186 -8.750 230 HB3 LEU 33 HB1 LEU 33 8.647 -1.676 -9.247 231 HG LEU 33 HG LEU 33 8.164 0.678 -11.079 232 HD11 LEU 33 HD11 LEU 33 10.546 1.126 -10.837 233 HD12 LEU 33 HD12 LEU 33 10.693 -0.199 -9.682 234 HD13 LEU 33 HD13 LEU 33 9.734 1.222 -9.272 235 HD21 LEU 33 HD21 LEU 33 8.301 -1.523 -12.184 236 HD22 LEU 33 HD22 LEU 33 9.871 -1.789 -11.423 237 HD23 LEU 33 HD23 LEU 33 9.664 -0.480 -12.588 238 H ARG 34 HN ARG 34 7.284 -3.808 -9.267 239 HA ARG 34 HA ARG 34 5.010 -4.264 -7.572 240 HB2 ARG 34 HB2 ARG 34 7.581 -5.839 -7.727 241 HB3 ARG 34 HB1 ARG 34 6.083 -6.369 -6.984 242 HG2 ARG 34 HG2 ARG 34 5.005 -6.288 -9.210 243 HG3 ARG 34 HG1 ARG 34 6.585 -5.908 -9.911 244 HD2 ARG 34 HD2 ARG 34 7.453 -7.985 -8.797 245 HD3 ARG 34 HD1 ARG 34 5.785 -8.383 -8.395 246 HE ARG 34 HE ARG 34 5.835 -7.974 -11.124 247 HH11 ARG 34 HH11 ARG 34 7.356 -10.110 -8.800 248 HH12 ARG 34 HH12 ARG 34 7.560 -11.408 -9.941 249 HH21 ARG 34 HH21 ARG 34 6.091 -9.691 -12.625 250 HH22 ARG 34 HH22 ARG 34 6.852 -11.170 -12.113 251 H PHE 35 HN PHE 35 5.121 -4.725 -5.275 252 HA PHE 35 HA PHE 35 6.539 -2.931 -3.679 253 HB2 PHE 35 HB2 PHE 35 5.461 -5.665 -2.951 254 HB3 PHE 35 HB1 PHE 35 5.990 -4.455 -1.789 255 HD1 PHE 35 HD2 PHE 35 4.784 -2.189 -1.826 256 HD2 PHE 35 HD1 PHE 35 3.265 -5.698 -3.703 257 HE1 PHE 35 HE2 PHE 35 2.529 -1.207 -1.829 258 HE2 PHE 35 HE1 PHE 35 1.006 -4.719 -3.708 259 HZ PHE 35 HZ PHE 35 0.632 -2.484 -2.743 260 H GLU 36 HN GLU 36 7.351 -6.212 -4.686 261 HA GLU 36 HA GLU 36 9.731 -6.470 -3.213 262 HB2 GLU 36 HB2 GLU 36 10.262 -8.305 -4.766 263 HB3 GLU 36 HB1 GLU 36 8.622 -8.403 -4.149 264 HG2 GLU 36 HG2 GLU 36 7.827 -7.378 -6.266 265 HG3 GLU 36 HG1 GLU 36 9.478 -7.474 -6.875 266 H ASP 37 HN ASP 37 9.015 -4.643 -6.040 267 HA ASP 37 HA ASP 37 11.730 -4.591 -7.035 268 HB2 ASP 37 HB2 ASP 37 9.252 -3.058 -7.834 269 HB3 ASP 37 HB1 ASP 37 10.824 -2.784 -8.570 270 H ILE 38 HN ILE 38 9.641 -2.619 -5.048 271 HA ILE 38 HA ILE 38 11.625 -0.492 -4.957 272 HB ILE 38 HB ILE 38 9.970 0.648 -3.439 273 HG12 ILE 38 HG12 ILE 38 8.205 -1.636 -4.352 274 HG13 ILE 38 HG11 ILE 38 8.746 -1.347 -2.703 275 HG21 ILE 38 HG21 ILE 38 9.054 -0.102 -6.208 276 HG22 ILE 38 HG22 ILE 38 10.194 1.181 -5.808 277 HG23 ILE 38 HG23 ILE 38 8.511 1.301 -5.290 278 HD11 ILE 38 HD11 ILE 38 7.467 0.701 -2.607 279 HD12 ILE 38 HD12 ILE 38 6.429 -0.645 -3.085 280 HD13 ILE 38 HD13 ILE 38 6.996 0.505 -4.295 281 H GLY 39 HN GLY 39 11.453 -3.354 -3.552 282 HA2 GLY 39 HA2 GLY 39 12.878 -4.177 -1.937 283 HA3 GLY 39 HA1 GLY 39 13.326 -2.531 -1.534 284 H TYR 40 HN TYR 40 10.187 -4.243 -1.403 285 HA TYR 40 HA TYR 40 10.223 -3.751 1.491 286 HB2 TYR 40 HB2 TYR 40 8.005 -3.286 -0.466 287 HB3 TYR 40 HB1 TYR 40 7.632 -3.676 1.211 288 HD1 TYR 40 HD2 TYR 40 8.238 -2.126 3.012 289 HD2 TYR 40 HD1 TYR 40 8.993 -1.181 -1.057 290 HE1 TYR 40 HE2 TYR 40 8.565 0.231 3.627 291 HE2 TYR 40 HE1 TYR 40 9.329 1.175 -0.458 292 HH TYR 40 HH TYR 40 8.588 2.719 1.398 293 H ASP 41 HN ASP 41 10.449 -5.549 2.503 294 HA ASP 41 HA ASP 41 9.799 -8.116 1.472 295 HB2 ASP 41 HB2 ASP 41 10.505 -7.246 4.285 296 HB3 ASP 41 HB1 ASP 41 10.414 -8.917 3.737 297 H SER 42 HN SER 42 8.390 -9.665 2.561 298 HA SER 42 HA SER 42 5.749 -8.886 2.591 299 HB2 SER 42 HB2 SER 42 5.891 -11.152 4.250 300 HB3 SER 42 HB1 SER 42 5.578 -11.107 2.514 301 H LEU 43 HN LEU 43 7.876 -9.410 5.394 302 HA LEU 43 HA LEU 43 5.992 -9.006 7.403 303 HB2 LEU 43 HB2 LEU 43 8.256 -9.857 7.795 304 HB3 LEU 43 HB1 LEU 43 8.919 -8.279 7.419 305 HG LEU 43 HG LEU 43 7.771 -7.335 9.391 306 HD11 LEU 43 HD11 LEU 43 6.756 -8.828 11.029 307 HD12 LEU 43 HD12 LEU 43 7.001 -10.198 9.944 308 HD13 LEU 43 HD13 LEU 43 5.900 -8.899 9.490 309 HD21 LEU 43 HD21 LEU 43 10.076 -8.113 9.561 310 HD22 LEU 43 HD22 LEU 43 9.509 -9.732 9.966 311 HD23 LEU 43 HD23 LEU 43 9.203 -8.391 11.068 312 H ALA 44 HN ALA 44 8.185 -6.585 5.976 313 HA ALA 44 HA ALA 44 7.158 -4.399 7.433 314 HB1 ALA 44 HB1 ALA 44 9.349 -4.359 6.343 315 HB2 ALA 44 HB2 ALA 44 8.351 -3.000 5.828 316 HB3 ALA 44 HB3 ALA 44 8.564 -4.391 4.764 317 H LEU 45 HN LEU 45 6.252 -5.886 4.399 318 HA LEU 45 HA LEU 45 4.537 -3.854 3.460 319 HB2 LEU 45 HB2 LEU 45 5.388 -5.601 2.001 320 HB3 LEU 45 HB1 LEU 45 4.545 -6.825 2.933 321 HG LEU 45 HG LEU 45 2.386 -5.871 2.222 322 HD11 LEU 45 HD11 LEU 45 2.327 -4.231 0.405 323 HD12 LEU 45 HD12 LEU 45 4.080 -4.048 0.515 324 HD13 LEU 45 HD13 LEU 45 3.056 -3.566 1.868 325 HD21 LEU 45 HD21 LEU 45 3.374 -7.704 0.970 326 HD22 LEU 45 HD22 LEU 45 4.261 -6.560 -0.038 327 HD23 LEU 45 HD23 LEU 45 2.499 -6.614 -0.101 328 H MET 46 HN MET 46 3.906 -6.768 5.417 329 HA MET 46 HA MET 46 1.090 -6.328 5.482 330 HB2 MET 46 HB2 MET 46 0.973 -8.139 7.071 331 HB3 MET 46 HB1 MET 46 2.094 -8.563 5.789 332 HG2 MET 46 HG2 MET 46 3.220 -9.304 7.631 333 HG3 MET 46 HG1 MET 46 3.894 -7.689 7.465 334 HE1 MET 46 HE1 MET 46 0.305 -8.650 8.807 335 HE2 MET 46 HE2 MET 46 0.633 -8.822 10.531 336 HE3 MET 46 HE3 MET 46 1.340 -9.958 9.383 337 H GLU 47 HN GLU 47 3.756 -5.395 7.584 338 HA GLU 47 HA GLU 47 2.205 -4.350 9.687 339 HB2 GLU 47 HB2 GLU 47 4.950 -3.600 8.671 340 HB3 GLU 47 HB1 GLU 47 4.240 -2.911 10.128 341 HG2 GLU 47 HG2 GLU 47 4.098 -5.157 11.103 342 HG3 GLU 47 HG1 GLU 47 4.818 -5.827 9.641 343 H THR 48 HN THR 48 3.311 -2.992 6.643 344 HA THR 48 HA THR 48 2.419 -0.351 7.061 345 HB THR 48 HB THR 48 2.720 -1.820 4.433 346 HG1 THR 48 HG1 THR 48 4.677 -1.827 5.589 347 HG21 THR 48 HG21 THR 48 2.731 1.133 5.070 348 HG22 THR 48 HG22 THR 48 1.435 0.262 4.248 349 HG23 THR 48 HG23 THR 48 3.015 0.419 3.483 350 H ALA 49 HN ALA 49 0.837 -3.242 5.819 351 HA ALA 49 HA ALA 49 -1.439 -2.095 4.700 352 HB1 ALA 49 HB1 ALA 49 -0.809 -4.456 4.425 353 HB2 ALA 49 HB2 ALA 49 -2.488 -4.267 4.931 354 HB3 ALA 49 HB3 ALA 49 -1.265 -4.759 6.101 355 H ALA 50 HN ALA 50 -0.742 -2.931 8.042 356 HA ALA 50 HA ALA 50 -3.331 -2.700 9.093 357 HB1 ALA 50 HB1 ALA 50 -1.439 -3.721 10.300 358 HB2 ALA 50 HB2 ALA 50 -2.268 -2.495 11.261 359 HB3 ALA 50 HB3 ALA 50 -0.723 -2.122 10.497 360 H ARG 51 HN ARG 51 -0.915 -0.348 8.276 361 HA ARG 51 HA ARG 51 -1.930 1.889 9.636 362 HB2 ARG 51 HB2 ARG 51 -0.286 1.532 7.152 363 HB3 ARG 51 HB1 ARG 51 -0.824 3.128 7.639 364 HG2 ARG 51 HG2 ARG 51 0.782 1.277 9.375 365 HG3 ARG 51 HG1 ARG 51 1.464 2.568 8.381 366 HD2 ARG 51 HD2 ARG 51 0.140 4.217 9.596 367 HD3 ARG 51 HD1 ARG 51 -0.577 2.936 10.571 368 HE ARG 51 HE ARG 51 2.088 2.646 11.005 369 HH11 ARG 51 HH11 ARG 51 -0.070 5.381 11.153 370 HH12 ARG 51 HH12 ARG 51 0.724 6.113 12.515 371 HH21 ARG 51 HH21 ARG 51 3.182 3.630 12.782 372 HH22 ARG 51 HH22 ARG 51 2.586 5.127 13.417 373 H LEU 52 HN LEU 52 -2.344 0.975 6.221 374 HA LEU 52 HA LEU 52 -4.166 3.015 5.603 375 HB2 LEU 52 HB2 LEU 52 -3.862 0.319 4.279 376 HB3 LEU 52 HB1 LEU 52 -4.664 1.718 3.589 377 HG LEU 52 HG LEU 52 -1.721 1.534 4.247 378 HD11 LEU 52 HD11 LEU 52 -1.442 1.589 1.802 379 HD12 LEU 52 HD12 LEU 52 -3.193 1.486 1.616 380 HD13 LEU 52 HD13 LEU 52 -2.304 0.150 2.346 381 HD21 LEU 52 HD21 LEU 52 -1.554 3.678 3.078 382 HD22 LEU 52 HD22 LEU 52 -2.594 3.804 4.499 383 HD23 LEU 52 HD23 LEU 52 -3.308 3.712 2.890 384 H GLU 53 HN GLU 53 -4.689 -0.353 6.568 385 HA GLU 53 HA GLU 53 -7.460 -0.417 6.242 386 HB2 GLU 53 HB2 GLU 53 -5.723 -1.948 8.180 387 HB3 GLU 53 HB1 GLU 53 -7.418 -2.301 7.876 388 HG2 GLU 53 HG2 GLU 53 -6.886 -2.677 5.504 389 HG3 GLU 53 HG1 GLU 53 -5.181 -2.436 5.872 390 H SER 54 HN SER 54 -5.635 0.151 9.262 391 HA SER 54 HA SER 54 -7.954 0.672 10.793 392 HB2 SER 54 HB2 SER 54 -5.132 1.576 11.391 393 HB3 SER 54 HB1 SER 54 -6.436 1.306 12.553 394 HG SER 54 HG SER 54 -4.786 -0.509 11.254 395 H ARG 55 HN ARG 55 -5.892 2.718 8.853 396 HA ARG 55 HA ARG 55 -6.675 5.182 10.079 397 HB2 ARG 55 HB2 ARG 55 -4.504 4.892 8.973 398 HB3 ARG 55 HB1 ARG 55 -5.313 4.644 7.435 399 HG2 ARG 55 HG2 ARG 55 -6.097 6.924 7.425 400 HG3 ARG 55 HG1 ARG 55 -5.447 7.184 9.045 401 HD2 ARG 55 HD2 ARG 55 -3.210 6.966 8.282 402 HD3 ARG 55 HD1 ARG 55 -3.735 6.372 6.709 403 HE ARG 55 HE ARG 55 -4.833 8.879 6.921 404 HH11 ARG 55 HH11 ARG 55 -1.587 7.570 7.106 405 HH12 ARG 55 HH12 ARG 55 -0.842 8.979 6.444 406 HH21 ARG 55 HH21 ARG 55 -3.851 10.755 6.065 407 HH22 ARG 55 HH22 ARG 55 -2.133 10.806 5.841 408 H TYR 56 HN TYR 56 -7.601 3.504 7.076 409 HA TYR 56 HA TYR 56 -9.537 5.643 6.563 410 HB2 TYR 56 HB2 TYR 56 -8.357 3.526 4.771 411 HB3 TYR 56 HB1 TYR 56 -9.715 4.539 4.280 412 HD1 TYR 56 HD2 TYR 56 -9.405 6.944 3.929 413 HD2 TYR 56 HD1 TYR 56 -6.149 4.423 4.968 414 HE1 TYR 56 HE2 TYR 56 -7.830 8.687 3.200 415 HE2 TYR 56 HE1 TYR 56 -4.566 6.148 4.240 416 HH TYR 56 HH TYR 56 -5.515 9.345 3.546 417 H GLY 57 HN GLY 57 -9.485 2.709 8.050 418 HA2 GLY 57 HA2 GLY 57 -11.256 1.543 8.969 419 HA3 GLY 57 HA1 GLY 57 -12.350 2.644 8.148 420 H VAL 58 HN VAL 58 -9.869 0.565 6.723 421 HA VAL 58 HA VAL 58 -12.034 -0.788 5.250 422 HB VAL 58 HB VAL 58 -10.460 -1.187 3.418 423 HG11 VAL 58 HG11 VAL 58 -10.639 1.716 4.213 424 HG12 VAL 58 HG12 VAL 58 -11.858 0.795 3.332 425 HG13 VAL 58 HG13 VAL 58 -10.290 1.113 2.592 426 HG21 VAL 58 HG21 VAL 58 -8.287 -0.035 3.366 427 HG22 VAL 58 HG22 VAL 58 -8.374 -1.232 4.658 428 HG23 VAL 58 HG23 VAL 58 -8.534 0.483 5.034 429 H SER 59 HN SER 59 -11.127 -2.957 4.308 430 HA SER 59 HA SER 59 -9.386 -4.313 6.214 431 HB2 SER 59 HB2 SER 59 -12.109 -5.345 5.373 432 HB3 SER 59 HB1 SER 59 -10.939 -6.221 6.350 433 HG SER 59 HG SER 59 -11.102 -4.379 7.849 434 H ILE 60 HN ILE 60 -7.820 -5.212 5.055 435 HA ILE 60 HA ILE 60 -8.318 -5.911 2.250 436 HB ILE 60 HB ILE 60 -5.702 -5.905 3.775 437 HG12 ILE 60 HG12 ILE 60 -6.792 -3.850 1.828 438 HG13 ILE 60 HG11 ILE 60 -6.720 -3.642 3.575 439 HG21 ILE 60 HG21 ILE 60 -6.267 -6.094 0.817 440 HG22 ILE 60 HG22 ILE 60 -5.721 -7.412 1.853 441 HG23 ILE 60 HG23 ILE 60 -4.668 -6.027 1.562 442 HD11 ILE 60 HD11 ILE 60 -4.284 -3.774 3.495 443 HD12 ILE 60 HD12 ILE 60 -4.899 -2.475 2.471 444 HD13 ILE 60 HD13 ILE 60 -4.353 -3.988 1.745 445 HA PRO 61 HA PRO 61 -8.981 -10.082 3.819 446 HB2 PRO 61 HB2 PRO 61 -9.321 -10.656 0.945 447 HB3 PRO 61 HB1 PRO 61 -10.433 -10.944 2.285 448 HG2 PRO 61 HG2 PRO 61 -10.876 -9.007 0.488 449 HG3 PRO 61 HG1 PRO 61 -11.305 -8.808 2.198 450 HD2 PRO 61 HD2 PRO 61 -8.960 -7.719 0.688 451 HD3 PRO 61 HD1 PRO 61 -9.956 -6.942 1.937 452 H ASP 62 HN ASP 62 -7.631 -11.767 4.021 453 HA ASP 62 HA ASP 62 -4.972 -11.591 3.144 454 HB2 ASP 62 HB2 ASP 62 -4.694 -13.833 4.073 455 HB3 ASP 62 HB1 ASP 62 -5.662 -12.835 5.154 456 H ASP 63 HN ASP 63 -7.721 -12.630 1.489 457 HA ASP 63 HA ASP 63 -6.494 -14.573 -0.217 458 HB2 ASP 63 HB2 ASP 63 -8.876 -14.684 0.166 459 HB3 ASP 63 HB1 ASP 63 -9.089 -13.038 -0.418 460 H VAL 64 HN VAL 64 -7.762 -11.293 -0.861 461 HA VAL 64 HA VAL 64 -6.485 -11.181 -3.411 462 HB VAL 64 HB VAL 64 -8.624 -10.013 -2.829 463 HG11 VAL 64 HG11 VAL 64 -8.469 -7.811 -1.772 464 HG12 VAL 64 HG12 VAL 64 -6.766 -8.113 -1.426 465 HG13 VAL 64 HG13 VAL 64 -8.009 -9.118 -0.680 466 HG21 VAL 64 HG21 VAL 64 -6.412 -8.341 -4.009 467 HG22 VAL 64 HG22 VAL 64 -8.137 -8.015 -4.176 468 HG23 VAL 64 HG23 VAL 64 -7.447 -9.481 -4.870 469 H ALA 65 HN ALA 65 -5.473 -10.536 -0.238 470 HA ALA 65 HA ALA 65 -3.563 -8.524 -0.640 471 HB1 ALA 65 HB1 ALA 65 -3.443 -10.799 1.334 472 HB2 ALA 65 HB2 ALA 65 -4.309 -9.283 1.576 473 HB3 ALA 65 HB3 ALA 65 -2.552 -9.280 1.428 474 H GLY 66 HN GLY 66 -3.519 -11.930 -1.318 475 HA2 GLY 66 HA2 GLY 66 -0.658 -11.851 -1.954 476 HA3 GLY 66 HA1 GLY 66 -1.656 -13.296 -1.867 477 H ARG 67 HN ARG 67 -2.638 -10.415 -3.590 478 HA ARG 67 HA ARG 67 -2.119 -11.774 -6.153 479 HB2 ARG 67 HB2 ARG 67 -4.647 -10.299 -5.393 480 HB3 ARG 67 HB1 ARG 67 -4.298 -10.967 -6.982 481 HG2 ARG 67 HG2 ARG 67 -4.364 -12.696 -4.535 482 HG3 ARG 67 HG1 ARG 67 -5.832 -12.282 -5.418 483 HD2 ARG 67 HD2 ARG 67 -5.130 -14.359 -6.279 484 HD3 ARG 67 HD1 ARG 67 -4.681 -13.162 -7.488 485 HE ARG 67 HE ARG 67 -2.517 -13.660 -5.711 486 HH11 ARG 67 HH11 ARG 67 -4.278 -15.071 -8.391 487 HH12 ARG 67 HH12 ARG 67 -2.926 -16.002 -8.961 488 HH21 ARG 67 HH21 ARG 67 -0.736 -14.910 -6.451 489 HH22 ARG 67 HH22 ARG 67 -0.922 -15.921 -7.848 490 H VAL 68 HN VAL 68 -1.973 -8.951 -4.266 491 HA VAL 68 HA VAL 68 -1.858 -7.150 -6.550 492 HB VAL 68 HB VAL 68 -1.614 -5.359 -4.799 493 HG11 VAL 68 HG11 VAL 68 -4.005 -7.186 -4.595 494 HG12 VAL 68 HG12 VAL 68 -3.775 -5.884 -5.762 495 HG13 VAL 68 HG13 VAL 68 -3.955 -5.511 -4.047 496 HG21 VAL 68 HG21 VAL 68 -2.185 -5.972 -2.466 497 HG22 VAL 68 HG22 VAL 68 -0.644 -6.648 -2.993 498 HG23 VAL 68 HG23 VAL 68 -2.076 -7.675 -2.917 499 H ASP 69 HN ASP 69 0.018 -7.056 -7.615 500 HA ASP 69 HA ASP 69 2.491 -7.516 -6.144 501 HB2 ASP 69 HB2 ASP 69 3.575 -7.779 -8.301 502 HB3 ASP 69 HB1 ASP 69 2.112 -8.753 -8.264 503 H THR 70 HN THR 70 1.005 -5.008 -8.179 504 HA THR 70 HA THR 70 3.168 -3.186 -7.402 505 HB THR 70 HB THR 70 2.269 -1.653 -9.134 506 HG1 THR 70 HG1 THR 70 0.744 -3.314 -10.536 507 HG21 THR 70 HG21 THR 70 2.940 -2.959 -11.084 508 HG22 THR 70 HG22 THR 70 2.808 -4.446 -10.147 509 HG23 THR 70 HG23 THR 70 4.029 -3.246 -9.727 510 HA PRO 71 HA PRO 71 0.660 -0.797 -4.536 511 HB2 PRO 71 HB2 PRO 71 2.012 1.414 -6.039 512 HB3 PRO 71 HB1 PRO 71 1.801 1.221 -4.294 513 HG2 PRO 71 HG2 PRO 71 4.141 0.685 -5.387 514 HG3 PRO 71 HG1 PRO 71 3.473 -0.413 -4.160 515 HD2 PRO 71 HD2 PRO 71 3.586 -0.735 -7.132 516 HD3 PRO 71 HD1 PRO 71 3.808 -1.950 -5.859 517 H ARG 72 HN ARG 72 0.932 0.022 -7.976 518 HA ARG 72 HA ARG 72 -1.340 1.583 -8.294 519 HB2 ARG 72 HB2 ARG 72 -0.180 1.573 -10.244 520 HB3 ARG 72 HB1 ARG 72 0.365 -0.078 -10.035 521 HG2 ARG 72 HG2 ARG 72 -0.976 -0.067 -11.973 522 HG3 ARG 72 HG1 ARG 72 -1.966 -0.800 -10.714 523 HD2 ARG 72 HD2 ARG 72 -3.360 0.706 -11.907 524 HD3 ARG 72 HD1 ARG 72 -3.000 1.454 -10.351 525 HE ARG 72 HE ARG 72 -1.089 2.411 -12.075 526 HH11 ARG 72 HH11 ARG 72 -4.596 2.406 -12.020 527 HH12 ARG 72 HH12 ARG 72 -4.730 3.936 -12.836 528 HH21 ARG 72 HH21 ARG 72 -1.274 4.387 -13.204 529 HH22 ARG 72 HH22 ARG 72 -2.848 5.038 -13.543 530 H GLU 73 HN GLU 73 -1.054 -1.972 -8.459 531 HA GLU 73 HA GLU 73 -3.786 -2.482 -8.955 532 HB2 GLU 73 HB2 GLU 73 -1.715 -4.209 -7.575 533 HB3 GLU 73 HB1 GLU 73 -3.290 -4.775 -8.106 534 HG2 GLU 73 HG2 GLU 73 -1.170 -3.658 -9.923 535 HG3 GLU 73 HG1 GLU 73 -1.446 -5.374 -9.628 536 H LEU 74 HN LEU 74 -1.891 -2.289 -6.000 537 HA LEU 74 HA LEU 74 -3.870 -3.089 -4.178 538 HB2 LEU 74 HB2 LEU 74 -1.339 -2.843 -3.866 539 HB3 LEU 74 HB1 LEU 74 -1.645 -1.141 -3.591 540 HG LEU 74 HG LEU 74 -1.360 -2.658 -1.552 541 HD11 LEU 74 HD11 LEU 74 -3.825 -0.941 -1.744 542 HD12 LEU 74 HD12 LEU 74 -2.189 -0.372 -1.407 543 HD13 LEU 74 HD13 LEU 74 -3.008 -1.431 -0.258 544 HD21 LEU 74 HD21 LEU 74 -3.387 -3.798 -0.793 545 HD22 LEU 74 HD22 LEU 74 -2.770 -4.486 -2.296 546 HD23 LEU 74 HD23 LEU 74 -4.173 -3.416 -2.325 547 H LEU 75 HN LEU 75 -2.815 0.165 -5.140 548 HA LEU 75 HA LEU 75 -4.620 1.627 -3.581 549 HB2 LEU 75 HB2 LEU 75 -2.646 2.564 -4.790 550 HB3 LEU 75 HB1 LEU 75 -3.524 2.387 -6.295 551 HG LEU 75 HG LEU 75 -5.248 3.973 -5.411 552 HD11 LEU 75 HD11 LEU 75 -4.656 5.345 -3.475 553 HD12 LEU 75 HD12 LEU 75 -3.233 4.341 -3.202 554 HD13 LEU 75 HD13 LEU 75 -4.845 3.648 -3.034 555 HD21 LEU 75 HD21 LEU 75 -2.417 5.013 -5.514 556 HD22 LEU 75 HD22 LEU 75 -3.885 5.961 -5.749 557 HD23 LEU 75 HD23 LEU 75 -3.451 4.706 -6.908 558 H ASP 76 HN ASP 76 -4.887 0.521 -6.944 559 HA ASP 76 HA ASP 76 -7.366 1.619 -7.554 560 HB2 ASP 76 HB2 ASP 76 -5.843 0.598 -9.197 561 HB3 ASP 76 HB1 ASP 76 -6.196 -0.992 -8.531 562 H LEU 77 HN LEU 77 -6.571 -1.449 -6.019 563 HA LEU 77 HA LEU 77 -9.133 -2.591 -6.018 564 HB2 LEU 77 HB2 LEU 77 -7.133 -3.888 -5.574 565 HB3 LEU 77 HB1 LEU 77 -6.811 -2.959 -4.123 566 HG LEU 77 HG LEU 77 -8.972 -3.857 -3.185 567 HD11 LEU 77 HD11 LEU 77 -9.895 -5.872 -4.190 568 HD12 LEU 77 HD12 LEU 77 -8.761 -5.738 -5.535 569 HD13 LEU 77 HD13 LEU 77 -10.006 -4.509 -5.305 570 HD21 LEU 77 HD21 LEU 77 -6.755 -4.720 -2.569 571 HD22 LEU 77 HD22 LEU 77 -6.861 -5.890 -3.885 572 HD23 LEU 77 HD23 LEU 77 -7.996 -5.972 -2.539 573 H ILE 78 HN ILE 78 -7.434 -0.878 -3.393 574 HA ILE 78 HA ILE 78 -9.630 -0.954 -1.606 575 HB ILE 78 HB ILE 78 -7.250 0.911 -1.577 576 HG12 ILE 78 HG12 ILE 78 -7.685 -1.755 -0.208 577 HG13 ILE 78 HG11 ILE 78 -6.607 -1.473 -1.571 578 HG21 ILE 78 HG21 ILE 78 -9.085 1.695 -0.171 579 HG22 ILE 78 HG22 ILE 78 -7.730 1.141 0.812 580 HG23 ILE 78 HG23 ILE 78 -9.156 0.121 0.624 581 HD11 ILE 78 HD11 ILE 78 -5.387 -1.597 0.522 582 HD12 ILE 78 HD12 ILE 78 -6.335 -0.256 1.166 583 HD13 ILE 78 HD13 ILE 78 -5.252 0.006 -0.201 584 H ASN 79 HN ASN 79 -8.403 1.542 -3.801 585 HA ASN 79 HA ASN 79 -10.098 3.629 -2.976 586 HB2 ASN 79 HB2 ASN 79 -8.036 3.743 -4.493 587 HB3 ASN 79 HB1 ASN 79 -9.105 3.256 -5.802 588 HD21 ASN 79 HD21 ASN 79 -8.093 5.792 -3.729 589 HD22 ASN 79 HD22 ASN 79 -9.041 7.044 -4.446 590 H GLY 80 HN GLY 80 -10.465 1.139 -5.471 591 HA2 GLY 80 HA2 GLY 80 -12.950 2.054 -6.478 592 HA3 GLY 80 HA1 GLY 80 -12.295 0.432 -6.671 593 H ALA 81 HN ALA 81 -12.107 -0.012 -3.770 594 HA ALA 81 HA ALA 81 -14.758 -0.987 -3.332 595 HB1 ALA 81 HB1 ALA 81 -12.805 -2.200 -2.498 596 HB2 ALA 81 HB2 ALA 81 -13.903 -1.781 -1.183 597 HB3 ALA 81 HB3 ALA 81 -12.422 -0.856 -1.424 598 H LEU 82 HN LEU 82 -12.923 1.799 -2.287 599 HA LEU 82 HA LEU 82 -14.717 2.636 -0.249 600 HB2 LEU 82 HB2 LEU 82 -12.648 4.132 -1.850 601 HB3 LEU 82 HB1 LEU 82 -13.557 4.850 -0.533 602 HG LEU 82 HG LEU 82 -11.738 2.461 -0.250 603 HD11 LEU 82 HD11 LEU 82 -10.211 3.991 0.883 604 HD12 LEU 82 HD12 LEU 82 -11.283 5.342 0.516 605 HD13 LEU 82 HD13 LEU 82 -10.475 4.478 -0.793 606 HD21 LEU 82 HD21 LEU 82 -13.541 2.492 1.378 607 HD22 LEU 82 HD22 LEU 82 -13.145 4.157 1.803 608 HD23 LEU 82 HD23 LEU 82 -11.997 2.862 2.146 609 H ALA 83 HN ALA 83 -14.728 2.882 -3.684 610 HA ALA 83 HA ALA 83 -16.395 5.141 -3.983 611 HB1 ALA 83 HB1 ALA 83 -16.755 4.372 -6.245 612 HB2 ALA 83 HB2 ALA 83 -16.138 2.775 -5.831 613 HB3 ALA 83 HB3 ALA 83 -15.056 4.169 -5.811 614 H GLU 84 HN GLU 84 -17.029 1.981 -2.876 615 HA GLU 84 HA GLU 84 -19.924 2.370 -3.246 616 HB2 GLU 84 HB2 GLU 84 -18.348 -0.163 -2.749 617 HB3 GLU 84 HB1 GLU 84 -20.101 -0.079 -2.846 618 HG2 GLU 84 HG2 GLU 84 -19.945 0.677 -5.160 619 HG3 GLU 84 HG1 GLU 84 -18.186 0.616 -5.064 620 H ALA 85 HN ALA 85 -17.847 3.244 -1.100 621 HA ALA 85 HA ALA 85 -19.407 2.305 1.219 622 HB1 ALA 85 HB1 ALA 85 -17.094 1.521 1.284 623 HB2 ALA 85 HB2 ALA 85 -17.404 2.676 2.581 624 HB3 ALA 85 HB3 ALA 85 -16.522 3.181 1.138 625 H ALA 86 HN ALA 86 -19.612 4.662 -0.709 626 HA ALA 86 HA ALA 86 -19.387 6.880 1.196 627 HB1 ALA 86 HB1 ALA 86 -19.739 6.887 -1.803 628 HB2 ALA 86 HB2 ALA 86 -18.270 7.281 -0.909 629 HB3 ALA 86 HB3 ALA 86 -19.682 8.331 -0.792 630 H28 SXO 87 H28B SXO 87 5.893 -11.757 5.380 631 H28A SXO 87 H28A SXO 87 6.991 -11.757 6.761 632 H30 SXO 87 H30A SXO 87 4.024 -13.549 7.947 633 H30A SXO 87 H30C SXO 87 5.087 -12.166 8.203 634 H30B SXO 87 H30B SXO 87 4.017 -12.205 6.804 635 H31 SXO 87 H31A SXO 87 4.524 -15.154 6.027 636 H31A SXO 87 H31B SXO 87 5.861 -14.777 4.939 637 H31B SXO 87 H31C SXO 87 4.425 -13.754 4.961 638 H32 SXO 87 H32A SXO 87 6.907 -13.783 8.440 639 HO33 SXO 87 H33A SXO 87 7.882 -14.213 6.040 640 HN36 SXO 87 H36A SXO 87 4.688 -14.579 9.185 641 H37 SXO 87 H37A SXO 87 4.646 -17.518 9.262 642 H37A SXO 87 H37B SXO 87 3.907 -16.434 10.440 643 H38 SXO 87 H38B SXO 87 2.193 -17.510 9.105 644 H38A SXO 87 H38A SXO 87 2.962 -16.952 7.621 645 HN41 SXO 87 H41A SXO 87 1.560 -15.642 6.768 646 H42 SXO 87 H42A SXO 87 -0.440 -14.123 7.522 647 H42A SXO 87 H42B SXO 87 0.899 -13.144 8.123 648 H43 SXO 87 H43B SXO 87 1.847 -13.140 5.822 649 H43A SXO 87 H43A SXO 87 0.371 -13.939 5.267 650 H2 SXO 87 H2A SXO 87 0.693 -9.728 2.912 651 H2A SXO 87 H2B SXO 87 1.028 -9.306 4.591 652 H3 SXO 87 H3B SXO 87 -1.685 -9.872 3.397 653 H3A SXO 87 H3A SXO 87 -1.375 -9.522 5.100 654 H4 SXO 87 H4A SXO 87 -0.460 -7.327 4.457 655 H4A SXO 87 H4B SXO 87 -2.136 -7.524 3.944 656 H5 SXO 87 H5B SXO 87 0.286 -7.911 2.189 657 H5A SXO 87 H5A SXO 87 -1.398 -8.060 1.683 658 H6 SXO 87 H6A SXO 87 -0.066 -5.559 2.715 659 H6A SXO 87 H6B SXO 87 -1.767 -5.700 2.264 660 H7 SXO 87 H7A SXO 87 -1.141 -6.202 -0.038 661 H7A SXO 87 H7B SXO 87 0.574 -6.137 0.401 662 H8 SXO 87 H8C SXO 87 0.323 -3.788 1.021 663 H8A SXO 87 H8A SXO 87 -1.389 -3.857 0.609 664 H8B SXO 87 H8B SXO 87 -0.174 -4.050 -0.653 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -15.131 16.874 -2.797 2 H2 MET 1 HT2 MET 1 -14.959 16.202 -1.250 3 H3 MET 1 HT3 MET 1 -16.223 15.691 -2.258 4 HA MET 1 HA MET 1 -14.533 14.857 -3.849 5 HB2 MET 1 HB2 MET 1 -12.715 15.318 -1.473 6 HB3 MET 1 HB1 MET 1 -12.265 14.521 -2.974 7 HG2 MET 1 HG2 MET 1 -12.570 16.581 -4.198 8 HG3 MET 1 HG1 MET 1 -13.132 17.393 -2.740 9 HE1 MET 1 HE1 MET 1 -10.188 14.789 -3.081 10 HE2 MET 1 HE2 MET 1 -8.816 15.868 -3.351 11 HE3 MET 1 HE3 MET 1 -10.091 15.736 -4.564 12 H ALA 2 HN ALA 2 -14.112 12.597 -3.765 13 HA ALA 2 HA ALA 2 -15.715 11.205 -1.851 14 HB1 ALA 2 HB1 ALA 2 -15.078 9.201 -3.050 15 HB2 ALA 2 HB2 ALA 2 -13.814 10.087 -3.905 16 HB3 ALA 2 HB3 ALA 2 -15.511 10.476 -4.188 17 H THR 3 HN THR 3 -15.134 10.013 -0.119 18 HA THR 3 HA THR 3 -12.505 10.410 0.979 19 HB THR 3 HB THR 3 -14.670 8.692 2.126 20 HG1 THR 3 HG1 THR 3 -14.339 11.511 2.429 21 HG21 THR 3 HG21 THR 3 -12.426 10.279 3.365 22 HG22 THR 3 HG22 THR 3 -12.518 8.524 3.232 23 HG23 THR 3 HG23 THR 3 -13.653 9.389 4.269 24 H LEU 4 HN LEU 4 -10.917 9.194 0.106 25 HA LEU 4 HA LEU 4 -11.047 6.341 0.412 26 HB2 LEU 4 HB2 LEU 4 -10.357 5.992 -2.018 27 HB3 LEU 4 HB1 LEU 4 -12.046 6.300 -1.676 28 HG LEU 4 HG LEU 4 -11.599 8.725 -2.301 29 HD11 LEU 4 HD11 LEU 4 -9.168 8.692 -2.155 30 HD12 LEU 4 HD12 LEU 4 -9.706 9.156 -3.769 31 HD13 LEU 4 HD13 LEU 4 -9.096 7.527 -3.478 32 HD21 LEU 4 HD21 LEU 4 -11.785 8.255 -4.695 33 HD22 LEU 4 HD22 LEU 4 -12.819 7.199 -3.734 34 HD23 LEU 4 HD23 LEU 4 -11.305 6.584 -4.400 35 H LEU 5 HN LEU 5 -8.901 5.471 -0.850 36 HA LEU 5 HA LEU 5 -6.772 6.674 0.675 37 HB2 LEU 5 HB2 LEU 5 -7.324 4.125 0.008 38 HB3 LEU 5 HB1 LEU 5 -6.245 4.520 -1.314 39 HG LEU 5 HG LEU 5 -5.539 4.694 1.620 40 HD11 LEU 5 HD11 LEU 5 -4.163 2.741 1.199 41 HD12 LEU 5 HD12 LEU 5 -4.721 2.692 -0.473 42 HD13 LEU 5 HD13 LEU 5 -5.858 2.400 0.841 43 HD21 LEU 5 HD21 LEU 5 -3.841 5.055 -0.850 44 HD22 LEU 5 HD22 LEU 5 -3.248 5.013 0.811 45 HD23 LEU 5 HD23 LEU 5 -4.311 6.319 0.289 46 H THR 6 HN THR 6 -5.294 8.084 -0.108 47 HA THR 6 HA THR 6 -5.422 8.715 -2.969 48 HB THR 6 HB THR 6 -4.409 10.856 -2.430 49 HG1 THR 6 HG1 THR 6 -4.559 10.552 0.324 50 HG21 THR 6 HG21 THR 6 -6.175 11.832 -1.052 51 HG22 THR 6 HG22 THR 6 -6.653 10.224 -0.507 52 HG23 THR 6 HG23 THR 6 -6.848 10.676 -2.201 53 H THR 7 HN THR 7 -3.491 9.075 -4.151 54 HA THR 7 HA THR 7 -1.439 7.209 -3.791 55 HB THR 7 HB THR 7 -1.282 9.815 -5.324 56 HG1 THR 7 HG1 THR 7 -2.574 7.383 -5.806 57 HG21 THR 7 HG21 THR 7 0.896 8.762 -5.064 58 HG22 THR 7 HG22 THR 7 0.339 8.582 -6.730 59 HG23 THR 7 HG23 THR 7 0.240 7.222 -5.613 60 H ASP 8 HN ASP 8 -1.701 10.582 -2.761 61 HA ASP 8 HA ASP 8 1.002 10.813 -1.894 62 HB2 ASP 8 HB2 ASP 8 -0.532 12.734 -2.448 63 HB3 ASP 8 HB1 ASP 8 -1.350 12.437 -0.915 64 H ASP 9 HN ASP 9 -2.045 10.027 -0.230 65 HA ASP 9 HA ASP 9 -1.004 9.710 2.364 66 HB2 ASP 9 HB2 ASP 9 -3.410 8.747 0.928 67 HB3 ASP 9 HB1 ASP 9 -2.921 7.797 2.327 68 H LEU 10 HN LEU 10 -1.277 7.476 -0.337 69 HA LEU 10 HA LEU 10 -0.272 5.184 0.897 70 HB2 LEU 10 HB2 LEU 10 -1.015 5.993 -1.692 71 HB3 LEU 10 HB1 LEU 10 0.641 5.451 -1.840 72 HG LEU 10 HG LEU 10 -1.718 3.849 -0.852 73 HD11 LEU 10 HD11 LEU 10 -1.607 4.088 -3.259 74 HD12 LEU 10 HD12 LEU 10 -1.208 2.437 -2.784 75 HD13 LEU 10 HD13 LEU 10 0.075 3.554 -3.253 76 HD21 LEU 10 HD21 LEU 10 1.188 3.057 -0.985 77 HD22 LEU 10 HD22 LEU 10 -0.161 1.969 -0.657 78 HD23 LEU 10 HD23 LEU 10 0.223 3.261 0.479 79 H ARG 11 HN ARG 11 1.429 7.708 -0.957 80 HA ARG 11 HA ARG 11 4.032 6.784 -0.637 81 HB2 ARG 11 HB2 ARG 11 3.496 8.573 -2.171 82 HB3 ARG 11 HB1 ARG 11 2.991 9.614 -0.848 83 HG2 ARG 11 HG2 ARG 11 5.270 9.721 -0.024 84 HG3 ARG 11 HG1 ARG 11 5.793 8.607 -1.284 85 HD2 ARG 11 HD2 ARG 11 4.496 11.254 -1.882 86 HD3 ARG 11 HD1 ARG 11 6.238 11.062 -1.703 87 HE ARG 11 HE ARG 11 5.042 9.267 -3.615 88 HH11 ARG 11 HH11 ARG 11 6.340 12.484 -3.154 89 HH12 ARG 11 HH12 ARG 11 6.938 12.618 -4.785 90 HH21 ARG 11 HH21 ARG 11 5.827 9.456 -5.780 91 HH22 ARG 11 HH22 ARG 11 6.637 10.909 -6.263 92 H ARG 12 HN ARG 12 2.108 8.835 1.524 93 HA ARG 12 HA ARG 12 4.117 9.296 3.442 94 HB2 ARG 12 HB2 ARG 12 1.119 9.218 3.630 95 HB3 ARG 12 HB1 ARG 12 2.126 9.531 5.034 96 HG2 ARG 12 HG2 ARG 12 2.030 11.178 2.517 97 HG3 ARG 12 HG1 ARG 12 1.297 11.588 4.065 98 HD2 ARG 12 HD2 ARG 12 3.235 12.791 4.215 99 HD3 ARG 12 HD1 ARG 12 3.762 11.269 4.935 100 HE ARG 12 HE ARG 12 4.275 11.030 2.247 101 HH11 ARG 12 HH11 ARG 12 5.297 13.165 4.839 102 HH12 ARG 12 HH12 ARG 12 6.794 13.581 4.060 103 HH21 ARG 12 HH21 ARG 12 6.247 11.598 1.240 104 HH22 ARG 12 HH22 ARG 12 7.339 12.699 2.032 105 H ALA 13 HN ALA 13 1.659 6.740 3.204 106 HA ALA 13 HA ALA 13 2.139 5.589 5.715 107 HB1 ALA 13 HB1 ALA 13 1.020 4.251 3.257 108 HB2 ALA 13 HB2 ALA 13 0.099 5.212 4.414 109 HB3 ALA 13 HB3 ALA 13 0.844 3.696 4.923 110 H LEU 14 HN LEU 14 3.529 4.849 2.538 111 HA LEU 14 HA LEU 14 4.982 2.566 3.286 112 HB2 LEU 14 HB2 LEU 14 5.209 4.576 1.105 113 HB3 LEU 14 HB1 LEU 14 6.598 3.553 1.400 114 HG LEU 14 HG LEU 14 5.293 2.578 -0.355 115 HD11 LEU 14 HD11 LEU 14 4.910 1.075 2.226 116 HD12 LEU 14 HD12 LEU 14 6.310 0.999 1.152 117 HD13 LEU 14 HD13 LEU 14 4.747 0.389 0.611 118 HD21 LEU 14 HD21 LEU 14 2.974 1.904 -0.058 119 HD22 LEU 14 HD22 LEU 14 3.162 3.648 0.117 120 HD23 LEU 14 HD23 LEU 14 2.959 2.636 1.547 121 H VAL 15 HN VAL 15 5.811 5.990 3.424 122 HA VAL 15 HA VAL 15 8.468 5.635 4.362 123 HB VAL 15 HB VAL 15 6.609 8.011 4.568 124 HG11 VAL 15 HG11 VAL 15 8.312 8.133 6.320 125 HG12 VAL 15 HG12 VAL 15 8.598 9.347 5.073 126 HG13 VAL 15 HG13 VAL 15 9.576 7.880 5.115 127 HG21 VAL 15 HG21 VAL 15 8.925 7.450 2.723 128 HG22 VAL 15 HG22 VAL 15 7.927 8.904 2.730 129 HG23 VAL 15 HG23 VAL 15 7.217 7.350 2.286 130 H GLU 16 HN GLU 16 5.433 6.473 6.015 131 HA GLU 16 HA GLU 16 6.453 6.655 8.613 132 HB2 GLU 16 HB2 GLU 16 3.685 5.859 7.694 133 HB3 GLU 16 HB1 GLU 16 4.102 6.326 9.338 134 HG2 GLU 16 HG2 GLU 16 4.678 8.548 8.610 135 HG3 GLU 16 HG1 GLU 16 4.422 8.098 6.924 136 H SER 17 HN SER 17 5.563 3.854 6.731 137 HA SER 17 HA SER 17 5.482 2.111 9.036 138 HB2 SER 17 HB2 SER 17 4.001 1.823 7.011 139 HB3 SER 17 HB1 SER 17 5.435 1.307 6.123 140 HG SER 17 HG SER 17 5.632 -0.254 7.999 141 H ALA 18 HN ALA 18 7.797 2.971 6.530 142 HA ALA 18 HA ALA 18 9.516 0.753 7.411 143 HB1 ALA 18 HB1 ALA 18 8.975 0.756 5.034 144 HB2 ALA 18 HB2 ALA 18 10.701 0.995 5.302 145 HB3 ALA 18 HB3 ALA 18 9.675 2.365 4.871 146 H GLY 19 HN GLY 19 10.326 3.880 5.913 147 HA2 GLY 19 HA2 GLY 19 11.983 4.569 8.201 148 HA3 GLY 19 HA1 GLY 19 12.840 4.207 6.710 149 H GLU 20 HN GLU 20 12.531 6.710 8.305 150 HA GLU 20 HA GLU 20 10.853 8.438 6.729 151 HB2 GLU 20 HB2 GLU 20 12.765 9.020 8.992 152 HB3 GLU 20 HB1 GLU 20 11.742 10.229 8.223 153 HG2 GLU 20 HG2 GLU 20 9.756 9.020 8.924 154 HG3 GLU 20 HG1 GLU 20 10.763 7.766 9.651 155 H THR 21 HN THR 21 11.820 8.143 4.692 156 HA THR 21 HA THR 21 12.845 9.114 2.914 157 HB THR 21 HB THR 21 14.318 10.978 4.778 158 HG1 THR 21 HG1 THR 21 12.424 11.745 5.314 159 HG21 THR 21 HG21 THR 21 13.285 11.325 1.958 160 HG22 THR 21 HG22 THR 21 14.967 11.028 2.399 161 HG23 THR 21 HG23 THR 21 14.175 12.525 2.893 162 H ASP 22 HN ASP 22 14.328 7.327 5.192 163 HA ASP 22 HA ASP 22 16.775 7.138 3.577 164 HB2 ASP 22 HB2 ASP 22 17.220 8.322 5.743 165 HB3 ASP 22 HB1 ASP 22 16.706 6.863 6.587 166 H GLY 23 HN GLY 23 16.645 5.261 2.580 167 HA2 GLY 23 HA2 GLY 23 17.138 2.839 3.185 168 HA3 GLY 23 HA1 GLY 23 15.634 2.928 4.091 169 H THR 24 HN THR 24 13.794 3.906 2.674 170 HA THR 24 HA THR 24 13.845 2.501 0.100 171 HB THR 24 HB THR 24 11.292 2.581 0.364 172 HG1 THR 24 HG1 THR 24 10.555 2.810 2.492 173 HG21 THR 24 HG21 THR 24 11.299 0.564 1.790 174 HG22 THR 24 HG22 THR 24 12.972 0.903 2.236 175 HG23 THR 24 HG23 THR 24 12.565 0.526 0.562 176 H ASP 25 HN ASP 25 14.628 4.176 -1.142 177 HA ASP 25 HA ASP 25 13.548 6.823 -1.013 178 HB2 ASP 25 HB2 ASP 25 15.843 6.529 -1.717 179 HB3 ASP 25 HB1 ASP 25 15.343 5.492 -3.047 180 H LEU 26 HN LEU 26 11.388 6.724 -1.343 181 HA LEU 26 HA LEU 26 10.456 5.892 -4.008 182 HB2 LEU 26 HB2 LEU 26 9.117 6.187 -1.341 183 HB3 LEU 26 HB1 LEU 26 8.163 6.358 -2.798 184 HG LEU 26 HG LEU 26 8.805 4.078 -3.487 185 HD11 LEU 26 HD11 LEU 26 9.940 2.580 -1.990 186 HD12 LEU 26 HD12 LEU 26 10.103 3.853 -0.782 187 HD13 LEU 26 HD13 LEU 26 10.971 3.975 -2.313 188 HD21 LEU 26 HD21 LEU 26 7.484 2.883 -1.824 189 HD22 LEU 26 HD22 LEU 26 6.746 4.427 -2.244 190 HD23 LEU 26 HD23 LEU 26 7.621 4.251 -0.721 191 H SER 27 HN SER 27 11.961 8.305 -3.489 192 HA SER 27 HA SER 27 10.160 10.526 -3.318 193 HB2 SER 27 HB2 SER 27 13.058 10.567 -4.184 194 HB3 SER 27 HB1 SER 27 12.122 11.894 -3.493 195 HG SER 27 HG SER 27 13.389 9.771 -2.255 196 H GLY 28 HN GLY 28 10.903 8.436 -5.799 197 HA2 GLY 28 HA2 GLY 28 10.297 10.466 -7.850 198 HA3 GLY 28 HA1 GLY 28 11.032 8.901 -8.173 199 H ASP 29 HN ASP 29 9.733 7.017 -8.047 200 HA ASP 29 HA ASP 29 6.841 7.462 -7.802 201 HB2 ASP 29 HB2 ASP 29 6.314 6.203 -9.725 202 HB3 ASP 29 HB1 ASP 29 7.610 7.274 -10.246 203 H PHE 30 HN PHE 30 5.870 5.004 -7.949 204 HA PHE 30 HA PHE 30 7.441 3.006 -6.710 205 HB2 PHE 30 HB2 PHE 30 6.426 2.952 -4.496 206 HB3 PHE 30 HB1 PHE 30 7.216 4.498 -4.756 207 HD1 PHE 30 HD2 PHE 30 5.653 6.433 -5.592 208 HD2 PHE 30 HD1 PHE 30 4.285 2.897 -3.656 209 HE1 PHE 30 HE2 PHE 30 3.569 7.581 -4.970 210 HE2 PHE 30 HE1 PHE 30 2.204 4.046 -3.031 211 HZ PHE 30 HZ PHE 30 1.841 6.390 -3.686 212 H LEU 31 HN LEU 31 4.319 4.308 -7.522 213 HA LEU 31 HA LEU 31 2.631 2.200 -7.019 214 HB2 LEU 31 HB2 LEU 31 2.576 4.169 -9.291 215 HB3 LEU 31 HB1 LEU 31 1.254 3.082 -8.910 216 HG LEU 31 HG LEU 31 2.334 5.224 -7.069 217 HD11 LEU 31 HD11 LEU 31 0.202 6.350 -7.529 218 HD12 LEU 31 HD12 LEU 31 -0.153 5.130 -8.757 219 HD13 LEU 31 HD13 LEU 31 1.227 6.209 -8.958 220 HD21 LEU 31 HD21 LEU 31 1.410 3.397 -5.802 221 HD22 LEU 31 HD22 LEU 31 -0.033 3.371 -6.815 222 HD23 LEU 31 HD23 LEU 31 0.284 4.752 -5.766 223 H ASP 32 HN ASP 32 4.864 2.558 -9.712 224 HA ASP 32 HA ASP 32 3.635 0.289 -11.076 225 HB2 ASP 32 HB2 ASP 32 5.916 2.047 -11.989 226 HB3 ASP 32 HB1 ASP 32 5.040 0.876 -12.968 227 H LEU 33 HN LEU 33 6.155 0.885 -8.923 228 HA LEU 33 HA LEU 33 7.872 -1.245 -9.917 229 HB2 LEU 33 HB2 LEU 33 8.112 0.549 -7.504 230 HB3 LEU 33 HB1 LEU 33 9.305 -0.646 -7.976 231 HG LEU 33 HG LEU 33 8.506 1.764 -9.612 232 HD11 LEU 33 HD11 LEU 33 10.735 2.601 -9.073 233 HD12 LEU 33 HD12 LEU 33 11.005 1.214 -8.018 234 HD13 LEU 33 HD13 LEU 33 9.754 2.394 -7.625 235 HD21 LEU 33 HD21 LEU 33 10.431 1.149 -11.009 236 HD22 LEU 33 HD22 LEU 33 9.175 -0.087 -11.023 237 HD23 LEU 33 HD23 LEU 33 10.635 -0.327 -10.063 238 H ARG 34 HN ARG 34 8.383 -3.122 -8.706 239 HA ARG 34 HA ARG 34 6.094 -4.256 -7.404 240 HB2 ARG 34 HB2 ARG 34 8.845 -5.477 -7.488 241 HB3 ARG 34 HB1 ARG 34 7.294 -6.296 -7.394 242 HG2 ARG 34 HG2 ARG 34 6.801 -5.431 -9.693 243 HG3 ARG 34 HG1 ARG 34 8.475 -4.874 -9.759 244 HD2 ARG 34 HD2 ARG 34 8.250 -7.052 -10.813 245 HD3 ARG 34 HD1 ARG 34 9.255 -7.153 -9.365 246 HE ARG 34 HE ARG 34 6.408 -7.783 -9.093 247 HH11 ARG 34 HH11 ARG 34 9.715 -8.913 -9.291 248 HH12 ARG 34 HH12 ARG 34 9.359 -10.479 -8.647 249 HH21 ARG 34 HH21 ARG 34 5.928 -9.815 -8.207 250 HH22 ARG 34 HH22 ARG 34 7.206 -10.997 -8.003 251 H PHE 35 HN PHE 35 5.847 -4.835 -5.248 252 HA PHE 35 HA PHE 35 6.949 -3.228 -3.272 253 HB2 PHE 35 HB2 PHE 35 5.689 -5.958 -3.072 254 HB3 PHE 35 HB1 PHE 35 6.120 -4.994 -1.665 255 HD1 PHE 35 HD2 PHE 35 5.221 -2.433 -1.943 256 HD2 PHE 35 HD1 PHE 35 3.488 -5.922 -3.639 257 HE1 PHE 35 HE2 PHE 35 3.043 -1.289 -2.051 258 HE2 PHE 35 HE1 PHE 35 1.302 -4.794 -3.755 259 HZ PHE 35 HZ PHE 35 1.080 -2.469 -2.962 260 H GLU 36 HN GLU 36 7.797 -6.616 -3.961 261 HA GLU 36 HA GLU 36 9.881 -6.746 -2.080 262 HB2 GLU 36 HB2 GLU 36 10.585 -8.788 -3.428 263 HB3 GLU 36 HB1 GLU 36 8.975 -8.794 -2.729 264 HG2 GLU 36 HG2 GLU 36 8.554 -9.621 -4.812 265 HG3 GLU 36 HG1 GLU 36 8.257 -7.907 -5.076 266 H ASP 37 HN ASP 37 9.780 -5.351 -5.202 267 HA ASP 37 HA ASP 37 12.635 -5.495 -5.639 268 HB2 ASP 37 HB2 ASP 37 11.148 -5.659 -7.558 269 HB3 ASP 37 HB1 ASP 37 10.431 -4.100 -7.169 270 H ILE 38 HN ILE 38 10.307 -3.231 -4.349 271 HA ILE 38 HA ILE 38 12.319 -1.122 -4.271 272 HB ILE 38 HB ILE 38 10.506 0.247 -3.164 273 HG12 ILE 38 HG12 ILE 38 8.745 -2.018 -4.116 274 HG13 ILE 38 HG11 ILE 38 9.138 -1.707 -2.433 275 HG21 ILE 38 HG21 ILE 38 9.338 0.646 -5.290 276 HG22 ILE 38 HG22 ILE 38 10.024 -0.849 -5.928 277 HG23 ILE 38 HG23 ILE 38 11.082 0.495 -5.497 278 HD11 ILE 38 HD11 ILE 38 8.032 0.473 -2.590 279 HD12 ILE 38 HD12 ILE 38 6.942 -0.857 -2.987 280 HD13 ILE 38 HD13 ILE 38 7.629 0.132 -4.274 281 H GLY 39 HN GLY 39 12.337 -3.676 -2.634 282 HA2 GLY 39 HA2 GLY 39 13.554 -4.119 -0.730 283 HA3 GLY 39 HA1 GLY 39 13.616 -2.394 -0.410 284 H TYR 40 HN TYR 40 10.759 -4.497 -0.742 285 HA TYR 40 HA TYR 40 10.266 -4.080 2.131 286 HB2 TYR 40 HB2 TYR 40 8.303 -3.852 -0.147 287 HB3 TYR 40 HB1 TYR 40 7.780 -4.156 1.505 288 HD1 TYR 40 HD2 TYR 40 8.149 -2.455 3.253 289 HD2 TYR 40 HD1 TYR 40 9.040 -1.687 -0.824 290 HE1 TYR 40 HE2 TYR 40 8.208 -0.045 3.731 291 HE2 TYR 40 HE1 TYR 40 9.103 0.724 -0.372 292 HH TYR 40 HH TYR 40 8.164 2.299 1.306 293 H ASP 41 HN ASP 41 10.470 -5.929 3.113 294 HA ASP 41 HA ASP 41 10.126 -8.469 1.857 295 HB2 ASP 41 HB2 ASP 41 10.402 -7.689 4.763 296 HB3 ASP 41 HB1 ASP 41 10.287 -9.357 4.219 297 H SER 42 HN SER 42 8.615 -10.116 2.652 298 HA SER 42 HA SER 42 5.964 -9.450 2.354 299 HB2 SER 42 HB2 SER 42 5.585 -11.698 3.556 300 HB3 SER 42 HB1 SER 42 6.561 -11.707 2.082 301 H LEU 43 HN LEU 43 7.759 -9.894 5.380 302 HA LEU 43 HA LEU 43 5.637 -9.438 7.155 303 HB2 LEU 43 HB2 LEU 43 7.783 -10.387 7.845 304 HB3 LEU 43 HB1 LEU 43 8.579 -8.865 7.499 305 HG LEU 43 HG LEU 43 7.197 -7.796 9.277 306 HD11 LEU 43 HD11 LEU 43 6.062 -9.231 10.891 307 HD12 LEU 43 HD12 LEU 43 6.404 -10.637 9.882 308 HD13 LEU 43 HD13 LEU 43 5.341 -9.361 9.286 309 HD21 LEU 43 HD21 LEU 43 8.884 -10.129 10.160 310 HD22 LEU 43 HD22 LEU 43 8.447 -8.732 11.143 311 HD23 LEU 43 HD23 LEU 43 9.478 -8.527 9.726 312 H ALA 44 HN ALA 44 7.958 -7.186 5.690 313 HA ALA 44 HA ALA 44 7.053 -4.879 7.045 314 HB1 ALA 44 HB1 ALA 44 8.427 -5.095 4.367 315 HB2 ALA 44 HB2 ALA 44 9.223 -4.961 5.939 316 HB3 ALA 44 HB3 ALA 44 8.253 -3.623 5.322 317 H LEU 45 HN LEU 45 5.988 -6.536 4.174 318 HA LEU 45 HA LEU 45 4.399 -4.436 3.126 319 HB2 LEU 45 HB2 LEU 45 5.258 -6.337 1.800 320 HB3 LEU 45 HB1 LEU 45 4.168 -7.405 2.660 321 HG LEU 45 HG LEU 45 2.241 -6.243 1.713 322 HD11 LEU 45 HD11 LEU 45 2.533 -4.531 -0.003 323 HD12 LEU 45 HD12 LEU 45 4.278 -4.569 0.247 324 HD13 LEU 45 HD13 LEU 45 3.215 -4.007 1.538 325 HD21 LEU 45 HD21 LEU 45 3.157 -8.125 0.482 326 HD22 LEU 45 HD22 LEU 45 4.300 -7.062 -0.338 327 HD23 LEU 45 HD23 LEU 45 2.572 -6.899 -0.643 328 H MET 46 HN MET 46 3.637 -7.266 5.163 329 HA MET 46 HA MET 46 0.854 -6.722 5.268 330 HB2 MET 46 HB2 MET 46 0.748 -8.292 7.122 331 HB3 MET 46 HB1 MET 46 1.763 -8.936 5.844 332 HG2 MET 46 HG2 MET 46 3.750 -8.386 7.092 333 HG3 MET 46 HG1 MET 46 2.784 -7.612 8.346 334 HE1 MET 46 HE1 MET 46 0.911 -10.623 9.960 335 HE2 MET 46 HE2 MET 46 0.314 -9.604 8.649 336 HE3 MET 46 HE3 MET 46 1.196 -8.884 9.997 337 H GLU 47 HN GLU 47 3.601 -5.568 7.071 338 HA GLU 47 HA GLU 47 2.219 -4.234 9.133 339 HB2 GLU 47 HB2 GLU 47 4.900 -3.754 7.840 340 HB3 GLU 47 HB1 GLU 47 4.298 -2.747 9.150 341 HG2 GLU 47 HG2 GLU 47 4.674 -5.724 9.309 342 HG3 GLU 47 HG1 GLU 47 5.820 -4.523 9.905 343 H THR 48 HN THR 48 3.169 -3.254 5.877 344 HA THR 48 HA THR 48 2.327 -0.568 6.074 345 HB THR 48 HB THR 48 2.394 -2.243 3.562 346 HG1 THR 48 HG1 THR 48 4.401 -1.976 5.083 347 HG21 THR 48 HG21 THR 48 1.311 -0.092 3.276 348 HG22 THR 48 HG22 THR 48 2.894 -0.063 2.494 349 HG23 THR 48 HG23 THR 48 2.661 0.722 4.060 350 H ALA 49 HN ALA 49 0.669 -3.537 5.102 351 HA ALA 49 HA ALA 49 -1.752 -2.445 4.242 352 HB1 ALA 49 HB1 ALA 49 -2.737 -4.621 4.720 353 HB2 ALA 49 HB2 ALA 49 -1.339 -5.049 5.705 354 HB3 ALA 49 HB3 ALA 49 -1.152 -4.806 3.970 355 H ALA 50 HN ALA 50 -0.689 -3.335 7.495 356 HA ALA 50 HA ALA 50 -3.085 -2.810 8.858 357 HB1 ALA 50 HB1 ALA 50 -1.672 -2.637 10.873 358 HB2 ALA 50 HB2 ALA 50 -0.237 -2.642 9.847 359 HB3 ALA 50 HB3 ALA 50 -1.289 -4.058 9.903 360 H ARG 51 HN ARG 51 -0.433 -0.763 7.853 361 HA ARG 51 HA ARG 51 -1.058 1.578 9.248 362 HB2 ARG 51 HB2 ARG 51 0.293 1.086 6.601 363 HB3 ARG 51 HB1 ARG 51 0.102 2.701 7.253 364 HG2 ARG 51 HG2 ARG 51 1.518 0.449 8.652 365 HG3 ARG 51 HG1 ARG 51 2.310 1.722 7.721 366 HD2 ARG 51 HD2 ARG 51 1.661 3.392 9.223 367 HD3 ARG 51 HD1 ARG 51 0.445 2.369 9.975 368 HE ARG 51 HE ARG 51 3.305 1.759 10.270 369 HH11 ARG 51 HH11 ARG 51 0.161 2.465 11.609 370 HH12 ARG 51 HH12 ARG 51 0.639 2.210 13.251 371 HH21 ARG 51 HH21 ARG 51 3.978 1.456 12.452 372 HH22 ARG 51 HH22 ARG 51 2.818 1.640 13.736 373 H LEU 52 HN LEU 52 -2.214 0.348 6.160 374 HA LEU 52 HA LEU 52 -3.678 2.701 5.497 375 HB2 LEU 52 HB2 LEU 52 -3.914 -0.111 4.434 376 HB3 LEU 52 HB1 LEU 52 -4.646 1.311 3.710 377 HG LEU 52 HG LEU 52 -1.677 0.819 4.001 378 HD11 LEU 52 HD11 LEU 52 -3.458 0.736 1.573 379 HD12 LEU 52 HD12 LEU 52 -2.705 -0.653 2.358 380 HD13 LEU 52 HD13 LEU 52 -1.702 0.569 1.576 381 HD21 LEU 52 HD21 LEU 52 -3.197 3.051 2.653 382 HD22 LEU 52 HD22 LEU 52 -1.453 2.799 2.554 383 HD23 LEU 52 HD23 LEU 52 -2.202 3.188 4.102 384 H GLU 53 HN GLU 53 -4.602 -0.494 6.757 385 HA GLU 53 HA GLU 53 -7.362 -0.003 6.831 386 HB2 GLU 53 HB2 GLU 53 -5.702 -1.891 8.493 387 HB3 GLU 53 HB1 GLU 53 -7.459 -1.860 8.507 388 HG2 GLU 53 HG2 GLU 53 -7.331 -2.241 6.002 389 HG3 GLU 53 HG1 GLU 53 -5.630 -2.626 6.259 390 H SER 54 HN SER 54 -4.871 0.551 9.290 391 HA SER 54 HA SER 54 -6.673 1.238 11.355 392 HB2 SER 54 HB2 SER 54 -3.776 2.035 11.027 393 HB3 SER 54 HB1 SER 54 -4.704 2.093 12.527 394 HG SER 54 HG SER 54 -3.838 -0.162 11.057 395 H ARG 55 HN ARG 55 -5.420 3.075 8.680 396 HA ARG 55 HA ARG 55 -6.000 5.621 9.937 397 HB2 ARG 55 HB2 ARG 55 -4.074 5.478 8.470 398 HB3 ARG 55 HB1 ARG 55 -5.090 4.959 7.133 399 HG2 ARG 55 HG2 ARG 55 -6.165 7.092 7.031 400 HG3 ARG 55 HG1 ARG 55 -5.370 7.618 8.515 401 HD2 ARG 55 HD2 ARG 55 -3.968 6.948 5.926 402 HD3 ARG 55 HD1 ARG 55 -4.331 8.577 6.498 403 HE ARG 55 HE ARG 55 -2.905 7.304 8.517 404 HH11 ARG 55 HH11 ARG 55 -2.385 8.507 5.264 405 HH12 ARG 55 HH12 ARG 55 -0.663 8.605 5.450 406 HH21 ARG 55 HH21 ARG 55 -0.637 7.477 8.760 407 HH22 ARG 55 HH22 ARG 55 0.340 8.036 7.433 408 H TYR 56 HN TYR 56 -7.341 3.663 7.292 409 HA TYR 56 HA TYR 56 -9.457 5.652 6.958 410 HB2 TYR 56 HB2 TYR 56 -8.705 3.236 5.316 411 HB3 TYR 56 HB1 TYR 56 -10.073 4.283 4.957 412 HD1 TYR 56 HD2 TYR 56 -9.682 6.628 4.259 413 HD2 TYR 56 HD1 TYR 56 -6.465 3.887 4.764 414 HE1 TYR 56 HE2 TYR 56 -8.216 8.115 2.959 415 HE2 TYR 56 HE1 TYR 56 -4.990 5.364 3.465 416 HH TYR 56 HH TYR 56 -5.764 8.558 2.706 417 H GLY 57 HN GLY 57 -8.965 2.597 8.446 418 HA2 GLY 57 HA2 GLY 57 -10.421 1.299 9.674 419 HA3 GLY 57 HA1 GLY 57 -11.677 2.488 9.360 420 H VAL 58 HN VAL 58 -9.771 0.659 7.023 421 HA VAL 58 HA VAL 58 -12.286 -0.176 5.786 422 HB VAL 58 HB VAL 58 -10.911 -0.732 3.797 423 HG11 VAL 58 HG11 VAL 58 -10.369 1.576 3.168 424 HG12 VAL 58 HG12 VAL 58 -10.552 2.068 4.853 425 HG13 VAL 58 HG13 VAL 58 -11.944 1.458 3.955 426 HG21 VAL 58 HG21 VAL 58 -8.806 -1.235 4.948 427 HG22 VAL 58 HG22 VAL 58 -8.644 0.462 5.397 428 HG23 VAL 58 HG23 VAL 58 -8.572 -0.010 3.700 429 H SER 59 HN SER 59 -11.788 -2.340 4.421 430 HA SER 59 HA SER 59 -10.574 -4.296 6.233 431 HB2 SER 59 HB2 SER 59 -12.481 -5.853 5.493 432 HB3 SER 59 HB1 SER 59 -12.882 -4.589 6.655 433 HG SER 59 HG SER 59 -13.794 -4.978 4.104 434 H ILE 60 HN ILE 60 -8.839 -4.928 5.127 435 HA ILE 60 HA ILE 60 -8.990 -5.306 2.238 436 HB ILE 60 HB ILE 60 -6.659 -5.677 4.136 437 HG12 ILE 60 HG12 ILE 60 -7.266 -3.428 2.195 438 HG13 ILE 60 HG11 ILE 60 -7.442 -3.333 3.944 439 HG21 ILE 60 HG21 ILE 60 -6.725 -5.646 1.120 440 HG22 ILE 60 HG22 ILE 60 -6.452 -7.060 2.136 441 HG23 ILE 60 HG23 ILE 60 -5.276 -5.745 2.120 442 HD11 ILE 60 HD11 ILE 60 -5.388 -2.272 3.178 443 HD12 ILE 60 HD12 ILE 60 -4.859 -3.800 2.474 444 HD13 ILE 60 HD13 ILE 60 -5.052 -3.655 4.220 445 HA PRO 61 HA PRO 61 -10.038 -9.627 3.091 446 HB2 PRO 61 HB2 PRO 61 -10.215 -9.793 0.166 447 HB3 PRO 61 HB1 PRO 61 -11.465 -10.078 1.378 448 HG2 PRO 61 HG2 PRO 61 -11.509 -7.925 -0.242 449 HG3 PRO 61 HG1 PRO 61 -12.117 -7.869 1.425 450 HD2 PRO 61 HD2 PRO 61 -9.493 -6.900 0.325 451 HD3 PRO 61 HD1 PRO 61 -10.565 -6.135 1.518 452 H ASP 62 HN ASP 62 -8.446 -11.020 3.480 453 HA ASP 62 HA ASP 62 -5.871 -10.771 2.343 454 HB2 ASP 62 HB2 ASP 62 -5.268 -12.725 3.660 455 HB3 ASP 62 HB1 ASP 62 -6.248 -11.626 4.624 456 H ASP 63 HN ASP 63 -8.592 -12.105 1.011 457 HA ASP 63 HA ASP 63 -7.468 -14.347 -0.351 458 HB2 ASP 63 HB2 ASP 63 -9.907 -12.661 -0.963 459 HB3 ASP 63 HB1 ASP 63 -9.467 -14.113 -1.854 460 H VAL 64 HN VAL 64 -8.642 -11.274 -1.694 461 HA VAL 64 HA VAL 64 -7.088 -11.601 -4.076 462 HB VAL 64 HB VAL 64 -8.588 -9.133 -3.193 463 HG11 VAL 64 HG11 VAL 64 -7.049 -8.831 -5.091 464 HG12 VAL 64 HG12 VAL 64 -8.738 -8.644 -5.565 465 HG13 VAL 64 HG13 VAL 64 -7.874 -10.133 -5.948 466 HG21 VAL 64 HG21 VAL 64 -10.494 -10.007 -4.465 467 HG22 VAL 64 HG22 VAL 64 -10.084 -11.056 -3.109 468 HG23 VAL 64 HG23 VAL 64 -9.614 -11.509 -4.747 469 H ALA 65 HN ALA 65 -6.516 -10.238 -1.008 470 HA ALA 65 HA ALA 65 -4.758 -8.151 -1.635 471 HB1 ALA 65 HB1 ALA 65 -4.706 -9.926 0.795 472 HB2 ALA 65 HB2 ALA 65 -5.724 -8.500 0.595 473 HB3 ALA 65 HB3 ALA 65 -3.968 -8.329 0.646 474 H GLY 66 HN GLY 66 -4.282 -11.599 -1.431 475 HA2 GLY 66 HA2 GLY 66 -1.397 -11.392 -1.565 476 HA3 GLY 66 HA1 GLY 66 -2.342 -12.874 -1.598 477 H ARG 67 HN ARG 67 -2.995 -10.225 -3.782 478 HA ARG 67 HA ARG 67 -1.671 -11.667 -5.963 479 HB2 ARG 67 HB2 ARG 67 -4.542 -10.717 -6.017 480 HB3 ARG 67 HB1 ARG 67 -3.664 -11.369 -7.396 481 HG2 ARG 67 HG2 ARG 67 -3.421 -13.505 -6.228 482 HG3 ARG 67 HG1 ARG 67 -4.321 -12.855 -4.856 483 HD2 ARG 67 HD2 ARG 67 -5.752 -14.207 -6.311 484 HD3 ARG 67 HD1 ARG 67 -6.270 -12.520 -6.280 485 HE ARG 67 HE ARG 67 -4.609 -13.595 -8.473 486 HH11 ARG 67 HH11 ARG 67 -7.484 -11.960 -7.338 487 HH12 ARG 67 HH12 ARG 67 -7.977 -11.435 -8.915 488 HH21 ARG 67 HH21 ARG 67 -5.236 -12.908 -10.546 489 HH22 ARG 67 HH22 ARG 67 -6.674 -11.946 -10.743 490 H VAL 68 HN VAL 68 -1.879 -8.873 -4.339 491 HA VAL 68 HA VAL 68 -1.713 -7.137 -6.684 492 HB VAL 68 HB VAL 68 -1.570 -5.263 -5.020 493 HG11 VAL 68 HG11 VAL 68 -3.954 -5.373 -4.422 494 HG12 VAL 68 HG12 VAL 68 -3.968 -7.082 -4.856 495 HG13 VAL 68 HG13 VAL 68 -3.661 -5.862 -6.091 496 HG21 VAL 68 HG21 VAL 68 -2.283 -5.743 -2.706 497 HG22 VAL 68 HG22 VAL 68 -0.720 -6.462 -3.095 498 HG23 VAL 68 HG23 VAL 68 -2.168 -7.468 -3.051 499 H ASP 69 HN ASP 69 0.162 -6.975 -7.635 500 HA ASP 69 HA ASP 69 2.597 -7.635 -6.183 501 HB2 ASP 69 HB2 ASP 69 2.076 -8.649 -8.410 502 HB3 ASP 69 HB1 ASP 69 2.222 -7.051 -9.132 503 H THR 70 HN THR 70 1.173 -4.924 -7.905 504 HA THR 70 HA THR 70 3.420 -3.235 -7.034 505 HB THR 70 HB THR 70 2.758 -1.701 -8.893 506 HG1 THR 70 HG1 THR 70 1.304 -3.784 -10.098 507 HG21 THR 70 HG21 THR 70 4.588 -3.298 -9.208 508 HG22 THR 70 HG22 THR 70 3.682 -3.079 -10.705 509 HG23 THR 70 HG23 THR 70 3.433 -4.526 -9.732 510 HA PRO 71 HA PRO 71 0.747 -0.763 -4.463 511 HB2 PRO 71 HB2 PRO 71 2.109 1.520 -5.815 512 HB3 PRO 71 HB1 PRO 71 1.870 1.222 -4.090 513 HG2 PRO 71 HG2 PRO 71 4.242 0.802 -5.179 514 HG3 PRO 71 HG1 PRO 71 3.591 -0.360 -4.006 515 HD2 PRO 71 HD2 PRO 71 3.733 -0.561 -6.992 516 HD3 PRO 71 HD1 PRO 71 4.007 -1.815 -5.765 517 H ARG 72 HN ARG 72 1.061 -0.069 -7.911 518 HA ARG 72 HA ARG 72 -1.110 1.623 -8.303 519 HB2 ARG 72 HB2 ARG 72 0.450 0.983 -10.096 520 HB3 ARG 72 HB1 ARG 72 -0.194 -0.653 -10.080 521 HG2 ARG 72 HG2 ARG 72 -2.418 0.297 -10.670 522 HG3 ARG 72 HG1 ARG 72 -1.635 1.864 -10.874 523 HD2 ARG 72 HD2 ARG 72 -0.838 -0.632 -12.359 524 HD3 ARG 72 HD1 ARG 72 -1.980 0.556 -12.975 525 HE ARG 72 HE ARG 72 0.650 1.567 -12.226 526 HH11 ARG 72 HH11 ARG 72 -1.486 0.438 -14.771 527 HH12 ARG 72 HH12 ARG 72 -0.573 1.174 -16.051 528 HH21 ARG 72 HH21 ARG 72 1.872 2.513 -13.892 529 HH22 ARG 72 HH22 ARG 72 1.352 2.351 -15.549 530 H GLU 73 HN GLU 73 -1.072 -1.918 -8.500 531 HA GLU 73 HA GLU 73 -3.855 -2.268 -8.689 532 HB2 GLU 73 HB2 GLU 73 -1.723 -4.132 -7.626 533 HB3 GLU 73 HB1 GLU 73 -3.374 -4.612 -7.983 534 HG2 GLU 73 HG2 GLU 73 -1.403 -3.536 -9.982 535 HG3 GLU 73 HG1 GLU 73 -1.811 -5.234 -9.756 536 H LEU 74 HN LEU 74 -1.663 -2.199 -5.931 537 HA LEU 74 HA LEU 74 -3.413 -2.943 -3.897 538 HB2 LEU 74 HB2 LEU 74 -0.886 -2.530 -3.841 539 HB3 LEU 74 HB1 LEU 74 -1.269 -0.836 -3.633 540 HG LEU 74 HG LEU 74 -0.687 -2.125 -1.540 541 HD11 LEU 74 HD11 LEU 74 -1.767 0.027 -1.399 542 HD12 LEU 74 HD12 LEU 74 -2.437 -1.060 -0.181 543 HD13 LEU 74 HD13 LEU 74 -3.344 -0.720 -1.654 544 HD21 LEU 74 HD21 LEU 74 -2.443 -3.481 -0.529 545 HD22 LEU 74 HD22 LEU 74 -1.898 -4.172 -2.059 546 HD23 LEU 74 HD23 LEU 74 -3.427 -3.295 -1.982 547 H LEU 75 HN LEU 75 -2.618 0.342 -5.008 548 HA LEU 75 HA LEU 75 -4.445 1.721 -3.403 549 HB2 LEU 75 HB2 LEU 75 -2.590 2.781 -4.618 550 HB3 LEU 75 HB1 LEU 75 -3.394 2.451 -6.139 551 HG LEU 75 HG LEU 75 -5.251 3.949 -5.445 552 HD11 LEU 75 HD11 LEU 75 -3.448 4.591 -3.117 553 HD12 LEU 75 HD12 LEU 75 -4.991 3.743 -3.029 554 HD13 LEU 75 HD13 LEU 75 -4.940 5.430 -3.539 555 HD21 LEU 75 HD21 LEU 75 -3.456 4.775 -6.853 556 HD22 LEU 75 HD22 LEU 75 -2.493 5.168 -5.428 557 HD23 LEU 75 HD23 LEU 75 -3.998 6.032 -5.741 558 H ASP 76 HN ASP 76 -4.772 0.635 -6.773 559 HA ASP 76 HA ASP 76 -7.334 1.691 -7.212 560 HB2 ASP 76 HB2 ASP 76 -5.746 0.969 -8.986 561 HB3 ASP 76 HB1 ASP 76 -6.080 -0.706 -8.561 562 H LEU 77 HN LEU 77 -6.287 -1.412 -5.933 563 HA LEU 77 HA LEU 77 -8.755 -2.752 -6.001 564 HB2 LEU 77 HB2 LEU 77 -6.510 -3.767 -5.555 565 HB3 LEU 77 HB1 LEU 77 -6.541 -3.048 -3.962 566 HG LEU 77 HG LEU 77 -7.117 -5.517 -4.137 567 HD11 LEU 77 HD11 LEU 77 -9.073 -3.670 -2.786 568 HD12 LEU 77 HD12 LEU 77 -7.558 -4.277 -2.117 569 HD13 LEU 77 HD13 LEU 77 -8.887 -5.390 -2.443 570 HD21 LEU 77 HD21 LEU 77 -9.445 -6.048 -4.693 571 HD22 LEU 77 HD22 LEU 77 -8.551 -5.433 -6.083 572 HD23 LEU 77 HD23 LEU 77 -9.686 -4.387 -5.229 573 H ILE 78 HN ILE 78 -7.232 -0.829 -3.427 574 HA ILE 78 HA ILE 78 -9.422 -1.109 -1.640 575 HB ILE 78 HB ILE 78 -7.175 0.910 -1.643 576 HG12 ILE 78 HG12 ILE 78 -7.505 -1.679 -0.111 577 HG13 ILE 78 HG11 ILE 78 -6.498 -1.484 -1.542 578 HG21 ILE 78 HG21 ILE 78 -9.083 1.667 -0.302 579 HG22 ILE 78 HG22 ILE 78 -7.712 1.243 0.721 580 HG23 ILE 78 HG23 ILE 78 -9.074 0.135 0.572 581 HD11 ILE 78 HD11 ILE 78 -6.114 -0.060 1.080 582 HD12 ILE 78 HD12 ILE 78 -5.095 0.097 -0.354 583 HD13 ILE 78 HD13 ILE 78 -5.188 -1.445 0.500 584 H ASN 79 HN ASN 79 -8.461 1.359 -3.995 585 HA ASN 79 HA ASN 79 -10.454 3.244 -3.386 586 HB2 ASN 79 HB2 ASN 79 -8.989 2.628 -5.947 587 HB3 ASN 79 HB1 ASN 79 -10.218 3.882 -5.866 588 HD21 ASN 79 HD21 ASN 79 -9.452 4.543 -3.077 589 HD22 ASN 79 HD22 ASN 79 -7.991 5.459 -3.221 590 H GLY 80 HN GLY 80 -10.492 0.441 -5.565 591 HA2 GLY 80 HA2 GLY 80 -13.040 0.862 -6.673 592 HA3 GLY 80 HA1 GLY 80 -12.221 -0.688 -6.551 593 H ALA 81 HN ALA 81 -12.048 -0.757 -3.716 594 HA ALA 81 HA ALA 81 -14.598 -1.854 -3.099 595 HB1 ALA 81 HB1 ALA 81 -13.659 -2.295 -0.891 596 HB2 ALA 81 HB2 ALA 81 -12.288 -1.245 -1.249 597 HB3 ALA 81 HB3 ALA 81 -12.513 -2.741 -2.155 598 H LEU 82 HN LEU 82 -12.890 1.073 -2.078 599 HA LEU 82 HA LEU 82 -14.914 1.914 -0.266 600 HB2 LEU 82 HB2 LEU 82 -12.651 3.401 -1.581 601 HB3 LEU 82 HB1 LEU 82 -13.702 4.106 -0.369 602 HG LEU 82 HG LEU 82 -11.869 1.743 0.044 603 HD11 LEU 82 HD11 LEU 82 -11.744 4.580 1.062 604 HD12 LEU 82 HD12 LEU 82 -10.660 3.847 -0.121 605 HD13 LEU 82 HD13 LEU 82 -10.667 3.268 1.545 606 HD21 LEU 82 HD21 LEU 82 -12.540 1.888 2.383 607 HD22 LEU 82 HD22 LEU 82 -13.931 1.562 1.348 608 HD23 LEU 82 HD23 LEU 82 -13.667 3.184 1.988 609 H ALA 83 HN ALA 83 -14.341 2.422 -3.664 610 HA ALA 83 HA ALA 83 -15.922 4.718 -4.037 611 HB1 ALA 83 HB1 ALA 83 -15.359 2.526 -6.025 612 HB2 ALA 83 HB2 ALA 83 -14.292 3.885 -5.677 613 HB3 ALA 83 HB3 ALA 83 -15.876 4.173 -6.395 614 H GLU 84 HN GLU 84 -16.802 1.434 -3.531 615 HA GLU 84 HA GLU 84 -19.399 1.610 -4.742 616 HB2 GLU 84 HB2 GLU 84 -18.114 -0.515 -4.507 617 HB3 GLU 84 HB1 GLU 84 -18.348 -0.429 -2.767 618 HG2 GLU 84 HG2 GLU 84 -19.923 -1.966 -3.728 619 HG3 GLU 84 HG1 GLU 84 -20.777 -0.550 -3.114 620 H ALA 85 HN ALA 85 -18.054 2.579 -1.741 621 HA ALA 85 HA ALA 85 -20.772 2.877 -0.631 622 HB1 ALA 85 HB1 ALA 85 -19.870 2.480 1.596 623 HB2 ALA 85 HB2 ALA 85 -18.264 2.226 0.912 624 HB3 ALA 85 HB3 ALA 85 -19.572 1.105 0.535 625 H ALA 86 HN ALA 86 -18.323 4.561 -1.903 626 HA ALA 86 HA ALA 86 -18.381 6.742 0.042 627 HB1 ALA 86 HB1 ALA 86 -16.573 7.725 -1.292 628 HB2 ALA 86 HB2 ALA 86 -16.696 6.391 -2.439 629 HB3 ALA 86 HB3 ALA 86 -16.182 6.083 -0.779 630 H28 SXO 87 H28B SXO 87 6.272 -12.330 5.952 631 H28A SXO 87 H28A SXO 87 7.259 -13.614 6.648 632 H30 SXO 87 H30A SXO 87 5.559 -12.986 8.566 633 H30A SXO 87 H30C SXO 87 4.631 -12.030 7.410 634 H30B SXO 87 H30B SXO 87 3.852 -13.339 8.299 635 H31 SXO 87 H31A SXO 87 4.318 -14.695 4.879 636 H31A SXO 87 H31B SXO 87 3.735 -13.106 5.369 637 H31B SXO 87 H31C SXO 87 3.146 -14.548 6.193 638 H32 SXO 87 H32A SXO 87 6.148 -15.301 8.133 639 HO33 SXO 87 H33A SXO 87 5.395 -16.575 5.719 640 HN36 SXO 87 H36A SXO 87 3.877 -14.690 9.135 641 H37 SXO 87 H37A SXO 87 2.055 -17.005 8.883 642 H37A SXO 87 H37B SXO 87 2.456 -16.222 10.409 643 H38 SXO 87 H38B SXO 87 1.415 -14.125 9.508 644 H38A SXO 87 H38A SXO 87 0.298 -15.464 9.777 645 HN41 SXO 87 H41A SXO 87 -0.192 -13.262 8.145 646 H42 SXO 87 H42A SXO 87 0.093 -14.041 5.364 647 H42A SXO 87 H42B SXO 87 -1.541 -14.122 6.023 648 H43 SXO 87 H43B SXO 87 -1.410 -11.739 6.614 649 H43A SXO 87 H43A SXO 87 0.212 -11.666 5.905 650 H2 SXO 87 H2A SXO 87 -2.037 -8.434 3.215 651 H2A SXO 87 H2B SXO 87 -3.191 -9.762 3.104 652 H3 SXO 87 H3B SXO 87 -1.550 -11.035 1.771 653 H3A SXO 87 H3A SXO 87 -2.037 -9.522 1.006 654 H4 SXO 87 H4A SXO 87 0.396 -9.970 0.855 655 H4A SXO 87 H4B SXO 87 0.486 -9.900 2.614 656 H5 SXO 87 H5B SXO 87 -0.366 -7.587 2.540 657 H5A SXO 87 H5A SXO 87 1.163 -7.778 1.680 658 H6 SXO 87 H6A SXO 87 -1.591 -7.639 0.448 659 H6A SXO 87 H6B SXO 87 -0.107 -7.966 -0.444 660 H7 SXO 87 H7A SXO 87 -0.723 -5.620 -0.653 661 H7A SXO 87 H7B SXO 87 0.781 -5.774 0.267 662 H8 SXO 87 H8C SXO 87 -0.489 -5.551 2.349 663 H8A SXO 87 H8A SXO 87 -1.979 -5.379 1.421 664 H8B SXO 87 H8B SXO 87 -0.716 -4.153 1.298 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -11.540 11.479 -6.998 2 H2 MET 1 HT2 MET 1 -11.061 12.865 -6.144 3 H3 MET 1 HT3 MET 1 -11.634 13.006 -7.730 4 HA MET 1 HA MET 1 -13.301 13.711 -6.161 5 HB2 MET 1 HB2 MET 1 -13.984 12.636 -8.276 6 HB3 MET 1 HB1 MET 1 -13.979 11.068 -7.476 7 HG2 MET 1 HG2 MET 1 -15.764 11.804 -5.994 8 HG3 MET 1 HG1 MET 1 -15.750 13.394 -6.750 9 HE1 MET 1 HE1 MET 1 -19.137 11.859 -7.992 10 HE2 MET 1 HE2 MET 1 -18.370 13.213 -7.163 11 HE3 MET 1 HE3 MET 1 -18.388 11.613 -6.416 12 H ALA 2 HN ALA 2 -13.914 13.642 -4.145 13 HA ALA 2 HA ALA 2 -14.523 12.938 -2.079 14 HB1 ALA 2 HB1 ALA 2 -15.770 11.135 -3.173 15 HB2 ALA 2 HB2 ALA 2 -15.077 10.618 -1.636 16 HB3 ALA 2 HB3 ALA 2 -14.323 10.125 -3.152 17 H THR 3 HN THR 3 -13.677 11.697 -0.170 18 HA THR 3 HA THR 3 -10.796 11.940 -0.119 19 HB THR 3 HB THR 3 -11.150 11.425 2.348 20 HG1 THR 3 HG1 THR 3 -13.208 10.385 2.054 21 HG21 THR 3 HG21 THR 3 -10.940 13.724 1.465 22 HG22 THR 3 HG22 THR 3 -12.033 13.635 2.847 23 HG23 THR 3 HG23 THR 3 -12.687 13.764 1.215 24 H LEU 4 HN LEU 4 -9.667 10.238 -0.823 25 HA LEU 4 HA LEU 4 -10.407 7.554 0.096 26 HB2 LEU 4 HB2 LEU 4 -9.668 8.219 -2.762 27 HB3 LEU 4 HB1 LEU 4 -10.039 6.630 -2.131 28 HG LEU 4 HG LEU 4 -12.023 8.902 -2.314 29 HD11 LEU 4 HD11 LEU 4 -13.001 7.618 -4.159 30 HD12 LEU 4 HD12 LEU 4 -11.662 6.475 -4.069 31 HD13 LEU 4 HD13 LEU 4 -11.362 8.151 -4.532 32 HD21 LEU 4 HD21 LEU 4 -12.559 7.343 -0.537 33 HD22 LEU 4 HD22 LEU 4 -12.364 5.983 -1.646 34 HD23 LEU 4 HD23 LEU 4 -13.677 7.135 -1.886 35 H LEU 5 HN LEU 5 -8.513 6.044 -0.893 36 HA LEU 5 HA LEU 5 -6.068 7.033 0.284 37 HB2 LEU 5 HB2 LEU 5 -7.166 4.591 0.188 38 HB3 LEU 5 HB1 LEU 5 -6.194 4.482 -1.262 39 HG LEU 5 HG LEU 5 -5.133 5.029 1.512 40 HD11 LEU 5 HD11 LEU 5 -5.037 2.560 -0.210 41 HD12 LEU 5 HD12 LEU 5 -5.923 2.758 1.303 42 HD13 LEU 5 HD13 LEU 5 -4.160 2.778 1.303 43 HD21 LEU 5 HD21 LEU 5 -2.927 4.670 0.496 44 HD22 LEU 5 HD22 LEU 5 -3.740 6.088 -0.162 45 HD23 LEU 5 HD23 LEU 5 -3.686 4.593 -1.096 46 H THR 6 HN THR 6 -4.497 8.064 -0.864 47 HA THR 6 HA THR 6 -4.572 7.787 -3.796 48 HB THR 6 HB THR 6 -3.940 10.111 -4.044 49 HG1 THR 6 HG1 THR 6 -4.231 10.432 -1.217 50 HG21 THR 6 HG21 THR 6 -6.303 9.792 -2.187 51 HG22 THR 6 HG22 THR 6 -6.323 9.633 -3.944 52 HG23 THR 6 HG23 THR 6 -5.982 11.196 -3.204 53 H THR 7 HN THR 7 -2.429 8.954 -4.666 54 HA THR 7 HA THR 7 -0.282 7.267 -4.141 55 HB THR 7 HB THR 7 -0.112 10.061 -5.278 56 HG1 THR 7 HG1 THR 7 -0.534 9.019 -7.291 57 HG21 THR 7 HG21 THR 7 2.051 9.021 -4.845 58 HG22 THR 7 HG22 THR 7 1.754 9.136 -6.580 59 HG23 THR 7 HG23 THR 7 1.559 7.590 -5.750 60 H ASP 8 HN ASP 8 -0.700 10.684 -3.213 61 HA ASP 8 HA ASP 8 1.692 10.894 -1.742 62 HB2 ASP 8 HB2 ASP 8 0.469 12.850 -2.573 63 HB3 ASP 8 HB1 ASP 8 -0.861 12.493 -1.476 64 H ASP 9 HN ASP 9 -1.565 9.948 -0.813 65 HA ASP 9 HA ASP 9 -1.126 9.861 1.980 66 HB2 ASP 9 HB2 ASP 9 -3.091 8.479 0.171 67 HB3 ASP 9 HB1 ASP 9 -3.049 8.154 1.901 68 H LEU 10 HN LEU 10 -0.841 7.388 -0.551 69 HA LEU 10 HA LEU 10 -0.104 5.249 1.126 70 HB2 LEU 10 HB2 LEU 10 -0.825 5.041 -1.240 71 HB3 LEU 10 HB1 LEU 10 0.692 5.761 -1.743 72 HG LEU 10 HG LEU 10 1.888 3.826 -0.697 73 HD11 LEU 10 HD11 LEU 10 0.167 3.161 0.891 74 HD12 LEU 10 HD12 LEU 10 0.580 1.821 -0.180 75 HD13 LEU 10 HD13 LEU 10 -0.909 2.730 -0.438 76 HD21 LEU 10 HD21 LEU 10 1.390 2.281 -2.496 77 HD22 LEU 10 HD22 LEU 10 1.387 3.936 -3.106 78 HD23 LEU 10 HD23 LEU 10 -0.137 3.102 -2.810 79 H ARG 11 HN ARG 11 1.718 7.788 -0.448 80 HA ARG 11 HA ARG 11 4.335 6.998 -0.014 81 HB2 ARG 11 HB2 ARG 11 3.788 8.912 -1.365 82 HB3 ARG 11 HB1 ARG 11 3.075 9.741 0.006 83 HG2 ARG 11 HG2 ARG 11 5.291 9.886 1.050 84 HG3 ARG 11 HG1 ARG 11 5.989 9.098 -0.366 85 HD2 ARG 11 HD2 ARG 11 4.431 11.681 -0.456 86 HD3 ARG 11 HD1 ARG 11 6.190 11.590 -0.377 87 HE ARG 11 HE ARG 11 5.919 10.243 -2.540 88 HH11 ARG 11 HH11 ARG 11 3.691 12.791 -1.597 89 HH12 ARG 11 HH12 ARG 11 3.413 13.310 -3.228 90 HH21 ARG 11 HH21 ARG 11 5.527 10.916 -4.684 91 HH22 ARG 11 HH22 ARG 11 4.443 12.251 -4.986 92 H ARG 12 HN ARG 12 1.992 8.121 2.300 93 HA ARG 12 HA ARG 12 3.947 8.798 4.308 94 HB2 ARG 12 HB2 ARG 12 0.959 8.450 4.557 95 HB3 ARG 12 HB1 ARG 12 2.016 9.162 5.768 96 HG2 ARG 12 HG2 ARG 12 1.704 10.277 2.994 97 HG3 ARG 12 HG1 ARG 12 0.709 10.782 4.359 98 HD2 ARG 12 HD2 ARG 12 2.538 12.337 4.030 99 HD3 ARG 12 HD1 ARG 12 2.740 11.482 5.557 100 HE ARG 12 HE ARG 12 4.319 10.015 4.160 101 HH11 ARG 12 HH11 ARG 12 3.811 13.435 3.657 102 HH12 ARG 12 HH12 ARG 12 5.413 13.715 3.028 103 HH21 ARG 12 HH21 ARG 12 6.434 10.366 3.372 104 HH22 ARG 12 HH22 ARG 12 6.927 11.965 2.901 105 H ALA 13 HN ALA 13 1.753 6.089 3.686 106 HA ALA 13 HA ALA 13 2.004 4.897 6.225 107 HB1 ALA 13 HB1 ALA 13 1.249 3.566 3.635 108 HB2 ALA 13 HB2 ALA 13 0.148 4.466 4.680 109 HB3 ALA 13 HB3 ALA 13 0.902 2.981 5.262 110 H LEU 14 HN LEU 14 3.813 4.399 3.227 111 HA LEU 14 HA LEU 14 5.262 2.130 4.070 112 HB2 LEU 14 HB2 LEU 14 5.767 4.247 2.006 113 HB3 LEU 14 HB1 LEU 14 6.996 3.053 2.360 114 HG LEU 14 HG LEU 14 5.799 2.349 0.420 115 HD11 LEU 14 HD11 LEU 14 4.955 0.174 1.133 116 HD12 LEU 14 HD12 LEU 14 4.906 0.739 2.803 117 HD13 LEU 14 HD13 LEU 14 6.451 0.594 1.968 118 HD21 LEU 14 HD21 LEU 14 3.395 1.943 0.411 119 HD22 LEU 14 HD22 LEU 14 3.759 3.639 0.737 120 HD23 LEU 14 HD23 LEU 14 3.277 2.570 2.054 121 H VAL 15 HN VAL 15 5.695 5.543 4.605 122 HA VAL 15 HA VAL 15 8.366 5.291 5.633 123 HB VAL 15 HB VAL 15 6.412 7.599 5.687 124 HG11 VAL 15 HG11 VAL 15 7.975 7.819 7.526 125 HG12 VAL 15 HG12 VAL 15 8.339 9.002 6.269 126 HG13 VAL 15 HG13 VAL 15 9.333 7.554 6.431 127 HG21 VAL 15 HG21 VAL 15 8.828 7.082 3.951 128 HG22 VAL 15 HG22 VAL 15 7.829 8.535 3.919 129 HG23 VAL 15 HG23 VAL 15 7.142 6.983 3.439 130 H GLU 16 HN GLU 16 5.104 5.567 6.968 131 HA GLU 16 HA GLU 16 5.725 5.967 9.651 132 HB2 GLU 16 HB2 GLU 16 3.483 4.309 8.497 133 HB3 GLU 16 HB1 GLU 16 3.578 4.855 10.161 134 HG2 GLU 16 HG2 GLU 16 3.506 7.192 9.337 135 HG3 GLU 16 HG1 GLU 16 3.246 6.561 7.707 136 H SER 17 HN SER 17 5.468 2.968 7.815 137 HA SER 17 HA SER 17 5.874 1.369 10.193 138 HB2 SER 17 HB2 SER 17 5.618 -0.522 8.430 139 HB3 SER 17 HB1 SER 17 4.214 0.468 8.829 140 HG SER 17 HG SER 17 4.475 1.605 6.936 141 H ALA 18 HN ALA 18 7.662 2.118 7.213 142 HA ALA 18 HA ALA 18 9.813 0.360 8.208 143 HB1 ALA 18 HB1 ALA 18 10.324 -0.263 5.949 144 HB2 ALA 18 HB2 ALA 18 9.089 0.834 5.328 145 HB3 ALA 18 HB3 ALA 18 8.620 -0.580 6.277 146 H GLY 19 HN GLY 19 9.284 3.064 5.933 147 HA2 GLY 19 HA2 GLY 19 12.122 3.557 5.828 148 HA3 GLY 19 HA1 GLY 19 10.878 4.419 4.947 149 H GLU 20 HN GLU 20 11.802 4.011 8.387 150 HA GLU 20 HA GLU 20 11.160 6.775 8.907 151 HB2 GLU 20 HB2 GLU 20 10.832 5.080 10.671 152 HB3 GLU 20 HB1 GLU 20 12.566 4.777 10.694 153 HG2 GLU 20 HG2 GLU 20 12.887 7.193 11.275 154 HG3 GLU 20 HG1 GLU 20 11.142 7.310 11.468 155 H THR 21 HN THR 21 12.449 8.124 7.823 156 HA THR 21 HA THR 21 14.260 9.347 7.238 157 HB THR 21 HB THR 21 15.945 9.716 9.035 158 HG1 THR 21 HG1 THR 21 15.100 7.442 9.947 159 HG21 THR 21 HG21 THR 21 14.356 10.834 10.570 160 HG22 THR 21 HG22 THR 21 13.032 9.967 9.791 161 HG23 THR 21 HG23 THR 21 13.984 11.135 8.872 162 H ASP 22 HN ASP 22 14.391 6.718 6.283 163 HA ASP 22 HA ASP 22 17.277 6.169 6.353 164 HB2 ASP 22 HB2 ASP 22 15.941 4.214 6.911 165 HB3 ASP 22 HB1 ASP 22 14.994 4.405 5.439 166 H GLY 23 HN GLY 23 18.464 6.767 4.671 167 HA2 GLY 23 HA2 GLY 23 17.204 8.106 2.459 168 HA3 GLY 23 HA1 GLY 23 18.931 7.932 2.730 169 H THR 24 HN THR 24 16.187 5.746 2.068 170 HA THR 24 HA THR 24 17.859 4.187 0.279 171 HB THR 24 HB THR 24 16.223 3.091 1.833 172 HG1 THR 24 HG1 THR 24 16.659 1.693 0.290 173 HG21 THR 24 HG21 THR 24 13.839 3.055 1.167 174 HG22 THR 24 HG22 THR 24 14.177 4.313 -0.022 175 HG23 THR 24 HG23 THR 24 14.377 4.648 1.698 176 H ASP 25 HN ASP 25 16.065 3.457 -1.718 177 HA ASP 25 HA ASP 25 15.652 6.038 -3.071 178 HB2 ASP 25 HB2 ASP 25 17.352 4.460 -4.087 179 HB3 ASP 25 HB1 ASP 25 16.015 3.370 -4.436 180 H LEU 26 HN LEU 26 13.622 6.456 -2.458 181 HA LEU 26 HA LEU 26 11.519 4.608 -3.358 182 HB2 LEU 26 HB2 LEU 26 11.870 4.264 -0.958 183 HB3 LEU 26 HB1 LEU 26 11.646 5.976 -0.667 184 HG LEU 26 HG LEU 26 9.301 5.744 -1.514 185 HD11 LEU 26 HD11 LEU 26 9.881 2.793 -1.327 186 HD12 LEU 26 HD12 LEU 26 9.654 3.695 -2.824 187 HD13 LEU 26 HD13 LEU 26 8.324 3.540 -1.678 188 HD21 LEU 26 HD21 LEU 26 8.448 4.759 0.531 189 HD22 LEU 26 HD22 LEU 26 9.852 5.770 0.879 190 HD23 LEU 26 HD23 LEU 26 10.017 4.015 0.850 191 H SER 27 HN SER 27 12.785 7.708 -3.369 192 HA SER 27 HA SER 27 10.233 9.092 -3.421 193 HB2 SER 27 HB2 SER 27 13.016 10.208 -3.848 194 HB3 SER 27 HB1 SER 27 11.546 11.136 -3.546 195 HG SER 27 HG SER 27 11.763 9.358 -1.606 196 H GLY 28 HN GLY 28 9.410 7.992 -5.292 197 HA2 GLY 28 HA2 GLY 28 9.747 9.533 -7.662 198 HA3 GLY 28 HA1 GLY 28 10.501 7.953 -7.833 199 H ASP 29 HN ASP 29 8.924 7.539 -9.526 200 HA ASP 29 HA ASP 29 6.154 7.305 -8.742 201 HB2 ASP 29 HB2 ASP 29 5.857 6.360 -11.053 202 HB3 ASP 29 HB1 ASP 29 6.527 7.984 -11.002 203 H PHE 30 HN PHE 30 6.338 5.884 -7.018 204 HA PHE 30 HA PHE 30 7.546 3.298 -7.328 205 HB2 PHE 30 HB2 PHE 30 6.576 2.969 -4.974 206 HB3 PHE 30 HB1 PHE 30 7.795 4.220 -5.180 207 HD1 PHE 30 HD1 PHE 30 4.091 3.800 -5.236 208 HD2 PHE 30 HD2 PHE 30 7.390 6.310 -4.276 209 HE1 PHE 30 HE1 PHE 30 2.550 5.437 -4.232 210 HE2 PHE 30 HE2 PHE 30 5.861 7.943 -3.258 211 HZ PHE 30 HZ PHE 30 3.444 7.560 -3.308 212 H LEU 31 HN LEU 31 4.472 4.573 -7.954 213 HA LEU 31 HA LEU 31 2.744 2.574 -7.143 214 HB2 LEU 31 HB2 LEU 31 2.590 4.457 -9.474 215 HB3 LEU 31 HB1 LEU 31 1.285 3.366 -9.058 216 HG LEU 31 HG LEU 31 2.382 5.575 -7.321 217 HD11 LEU 31 HD11 LEU 31 0.166 6.560 -7.620 218 HD12 LEU 31 HD12 LEU 31 -0.268 5.248 -8.719 219 HD13 LEU 31 HD13 LEU 31 1.011 6.380 -9.160 220 HD21 LEU 31 HD21 LEU 31 0.159 3.608 -6.790 221 HD22 LEU 31 HD22 LEU 31 0.553 5.004 -5.789 222 HD23 LEU 31 HD23 LEU 31 1.709 3.682 -5.950 223 H ASP 32 HN ASP 32 4.646 2.738 -10.124 224 HA ASP 32 HA ASP 32 3.449 0.204 -10.980 225 HB2 ASP 32 HB2 ASP 32 5.082 2.265 -12.458 226 HB3 ASP 32 HB1 ASP 32 4.698 0.691 -13.145 227 H LEU 33 HN LEU 33 5.909 1.076 -9.102 228 HA LEU 33 HA LEU 33 7.768 -0.977 -10.026 229 HB2 LEU 33 HB2 LEU 33 7.881 0.873 -7.634 230 HB3 LEU 33 HB1 LEU 33 9.136 -0.261 -8.098 231 HG LEU 33 HG LEU 33 8.234 2.098 -9.758 232 HD11 LEU 33 HD11 LEU 33 10.380 3.084 -9.163 233 HD12 LEU 33 HD12 LEU 33 10.736 1.706 -8.119 234 HD13 LEU 33 HD13 LEU 33 9.401 2.791 -7.727 235 HD21 LEU 33 HD21 LEU 33 10.529 0.176 -10.131 236 HD22 LEU 33 HD22 LEU 33 10.190 1.592 -11.126 237 HD23 LEU 33 HD23 LEU 33 9.063 0.236 -11.106 238 H ARG 34 HN ARG 34 7.979 -2.949 -9.025 239 HA ARG 34 HA ARG 34 5.794 -3.798 -7.396 240 HB2 ARG 34 HB2 ARG 34 8.272 -5.125 -8.429 241 HB3 ARG 34 HB1 ARG 34 7.346 -5.896 -7.152 242 HG2 ARG 34 HG2 ARG 34 5.339 -5.754 -8.620 243 HG3 ARG 34 HG1 ARG 34 6.398 -5.185 -9.911 244 HD2 ARG 34 HD2 ARG 34 7.568 -7.216 -9.997 245 HD3 ARG 34 HD1 ARG 34 6.932 -7.740 -8.437 246 HE ARG 34 HE ARG 34 4.803 -7.356 -10.252 247 HH11 ARG 34 HH11 ARG 34 7.470 -9.539 -9.589 248 HH12 ARG 34 HH12 ARG 34 6.678 -10.922 -10.286 249 HH21 ARG 34 HH21 ARG 34 3.741 -9.176 -11.123 250 HH22 ARG 34 HH22 ARG 34 4.542 -10.718 -11.142 251 H PHE 35 HN PHE 35 5.848 -4.520 -5.249 252 HA PHE 35 HA PHE 35 7.361 -3.110 -3.382 253 HB2 PHE 35 HB2 PHE 35 6.136 -5.861 -3.034 254 HB3 PHE 35 HB1 PHE 35 6.581 -4.749 -1.742 255 HD1 PHE 35 HD2 PHE 35 5.453 -2.381 -1.878 256 HD2 PHE 35 HD1 PHE 35 3.946 -5.885 -3.763 257 HE1 PHE 35 HE2 PHE 35 3.212 -1.366 -1.957 258 HE2 PHE 35 HE1 PHE 35 1.699 -4.875 -3.845 259 HZ PHE 35 HZ PHE 35 1.330 -2.610 -2.990 260 H GLU 36 HN GLU 36 7.940 -6.140 -5.008 261 HA GLU 36 HA GLU 36 10.225 -7.051 -3.715 262 HB2 GLU 36 HB2 GLU 36 9.542 -7.232 -6.655 263 HB3 GLU 36 HB1 GLU 36 10.717 -8.230 -5.809 264 HG2 GLU 36 HG2 GLU 36 9.001 -9.262 -4.502 265 HG3 GLU 36 HG1 GLU 36 7.785 -8.153 -5.136 266 H ASP 37 HN ASP 37 9.825 -4.453 -6.024 267 HA ASP 37 HA ASP 37 12.644 -4.322 -6.681 268 HB2 ASP 37 HB2 ASP 37 10.394 -2.421 -7.398 269 HB3 ASP 37 HB1 ASP 37 12.021 -2.370 -8.057 270 H ILE 38 HN ILE 38 10.309 -2.543 -4.739 271 HA ILE 38 HA ILE 38 12.265 -0.494 -4.111 272 HB ILE 38 HB ILE 38 10.395 0.494 -2.743 273 HG12 ILE 38 HG12 ILE 38 8.793 -1.673 -4.123 274 HG13 ILE 38 HG11 ILE 38 9.107 -1.575 -2.396 275 HG21 ILE 38 HG21 ILE 38 9.177 1.292 -4.741 276 HG22 ILE 38 HG22 ILE 38 9.973 0.038 -5.693 277 HG23 ILE 38 HG23 ILE 38 10.929 1.314 -4.944 278 HD11 ILE 38 HD11 ILE 38 7.846 0.503 -2.284 279 HD12 ILE 38 HD12 ILE 38 6.870 -0.816 -2.930 280 HD13 ILE 38 HD13 ILE 38 7.532 0.409 -4.016 281 H GLY 39 HN GLY 39 12.172 -3.433 -3.065 282 HA2 GLY 39 HA2 GLY 39 13.218 -4.406 -1.272 283 HA3 GLY 39 HA1 GLY 39 13.571 -2.793 -0.675 284 H TYR 40 HN TYR 40 10.294 -3.912 -1.284 285 HA TYR 40 HA TYR 40 9.882 -3.980 1.631 286 HB2 TYR 40 HB2 TYR 40 8.070 -3.057 -0.585 287 HB3 TYR 40 HB1 TYR 40 7.415 -3.557 0.970 288 HD1 TYR 40 HD2 TYR 40 8.040 -2.316 3.023 289 HD2 TYR 40 HD1 TYR 40 9.134 -0.934 -0.844 290 HE1 TYR 40 HE2 TYR 40 8.480 -0.086 3.950 291 HE2 TYR 40 HE1 TYR 40 9.580 1.304 0.068 292 HH TYR 40 HH TYR 40 9.848 1.911 3.377 293 H ASP 41 HN ASP 41 9.884 -5.992 2.273 294 HA ASP 41 HA ASP 41 8.976 -8.110 0.521 295 HB2 ASP 41 HB2 ASP 41 10.245 -8.139 3.255 296 HB3 ASP 41 HB1 ASP 41 9.705 -9.597 2.432 297 H SER 42 HN SER 42 7.886 -9.968 1.896 298 HA SER 42 HA SER 42 5.209 -9.402 2.016 299 HB2 SER 42 HB2 SER 42 5.090 -11.580 3.332 300 HB3 SER 42 HB1 SER 42 5.946 -11.649 1.786 301 H LEU 43 HN LEU 43 7.317 -9.913 4.861 302 HA LEU 43 HA LEU 43 5.357 -9.408 6.786 303 HB2 LEU 43 HB2 LEU 43 7.509 -10.497 7.270 304 HB3 LEU 43 HB1 LEU 43 8.335 -8.972 7.008 305 HG LEU 43 HG LEU 43 7.107 -8.003 8.932 306 HD11 LEU 43 HD11 LEU 43 5.135 -9.428 8.869 307 HD12 LEU 43 HD12 LEU 43 5.911 -9.493 10.452 308 HD13 LEU 43 HD13 LEU 43 6.115 -10.825 9.312 309 HD21 LEU 43 HD21 LEU 43 9.345 -8.928 9.234 310 HD22 LEU 43 HD22 LEU 43 8.653 -10.522 9.543 311 HD23 LEU 43 HD23 LEU 43 8.353 -9.194 10.665 312 H ALA 44 HN ALA 44 7.762 -7.181 5.391 313 HA ALA 44 HA ALA 44 7.037 -4.952 6.937 314 HB1 ALA 44 HB1 ALA 44 8.256 -5.015 4.179 315 HB2 ALA 44 HB2 ALA 44 9.137 -5.060 5.707 316 HB3 ALA 44 HB3 ALA 44 8.219 -3.621 5.262 317 H LEU 45 HN LEU 45 5.861 -6.167 3.854 318 HA LEU 45 HA LEU 45 4.269 -3.945 3.174 319 HB2 LEU 45 HB2 LEU 45 4.954 -5.663 1.566 320 HB3 LEU 45 HB1 LEU 45 3.948 -6.841 2.388 321 HG LEU 45 HG LEU 45 1.945 -5.538 1.784 322 HD11 LEU 45 HD11 LEU 45 2.100 -3.712 0.196 323 HD12 LEU 45 HD12 LEU 45 3.858 -3.838 0.184 324 HD13 LEU 45 HD13 LEU 45 3.017 -3.328 1.650 325 HD21 LEU 45 HD21 LEU 45 3.749 -6.290 -0.512 326 HD22 LEU 45 HD22 LEU 45 2.004 -6.051 -0.625 327 HD23 LEU 45 HD23 LEU 45 2.654 -7.361 0.360 328 H MET 46 HN MET 46 3.504 -6.936 4.970 329 HA MET 46 HA MET 46 0.740 -6.297 5.171 330 HB2 MET 46 HB2 MET 46 0.554 -8.091 6.790 331 HB3 MET 46 HB1 MET 46 1.537 -8.608 5.430 332 HG2 MET 46 HG2 MET 46 3.539 -8.406 6.713 333 HG3 MET 46 HG1 MET 46 2.672 -7.650 8.047 334 HE1 MET 46 HE1 MET 46 0.875 -8.986 9.570 335 HE2 MET 46 HE2 MET 46 0.427 -10.661 9.261 336 HE3 MET 46 HE3 MET 46 0.022 -9.411 8.084 337 H GLU 47 HN GLU 47 3.540 -5.498 7.117 338 HA GLU 47 HA GLU 47 2.119 -4.399 9.305 339 HB2 GLU 47 HB2 GLU 47 4.876 -3.795 8.224 340 HB3 GLU 47 HB1 GLU 47 4.249 -3.140 9.732 341 HG2 GLU 47 HG2 GLU 47 3.942 -5.471 10.540 342 HG3 GLU 47 HG1 GLU 47 4.742 -6.033 9.076 343 H THR 48 HN THR 48 3.388 -2.996 6.297 344 HA THR 48 HA THR 48 2.460 -0.372 6.710 345 HB THR 48 HB THR 48 2.815 -1.817 4.074 346 HG1 THR 48 HG1 THR 48 4.622 -0.448 5.794 347 HG21 THR 48 HG21 THR 48 3.190 0.443 3.169 348 HG22 THR 48 HG22 THR 48 2.785 1.125 4.744 349 HG23 THR 48 HG23 THR 48 1.563 0.249 3.822 350 H ALA 49 HN ALA 49 0.914 -3.234 5.341 351 HA ALA 49 HA ALA 49 -1.405 -2.126 4.296 352 HB1 ALA 49 HB1 ALA 49 -2.402 -4.323 4.551 353 HB2 ALA 49 HB2 ALA 49 -1.136 -4.787 5.686 354 HB3 ALA 49 HB3 ALA 49 -0.732 -4.467 4.000 355 H ALA 50 HN ALA 50 -0.652 -2.994 7.630 356 HA ALA 50 HA ALA 50 -3.240 -2.779 8.706 357 HB1 ALA 50 HB1 ALA 50 -0.583 -2.308 10.057 358 HB2 ALA 50 HB2 ALA 50 -1.382 -3.869 9.865 359 HB3 ALA 50 HB3 ALA 50 -2.120 -2.620 10.867 360 H ARG 51 HN ARG 51 -0.787 -0.454 7.943 361 HA ARG 51 HA ARG 51 -1.773 1.736 9.420 362 HB2 ARG 51 HB2 ARG 51 -0.176 1.746 6.850 363 HB3 ARG 51 HB1 ARG 51 -0.386 3.105 7.936 364 HG2 ARG 51 HG2 ARG 51 1.049 0.536 8.549 365 HG3 ARG 51 HG1 ARG 51 1.782 2.115 8.262 366 HD2 ARG 51 HD2 ARG 51 -0.073 1.408 10.529 367 HD3 ARG 51 HD1 ARG 51 1.676 1.582 10.646 368 HE ARG 51 HE ARG 51 0.734 3.976 9.608 369 HH11 ARG 51 HH11 ARG 51 0.228 2.091 12.532 370 HH12 ARG 51 HH12 ARG 51 -0.011 3.486 13.537 371 HH21 ARG 51 HH21 ARG 51 0.390 5.807 10.925 372 HH22 ARG 51 HH22 ARG 51 0.079 5.593 12.627 373 H LEU 52 HN LEU 52 -2.338 0.607 6.121 374 HA LEU 52 HA LEU 52 -3.923 2.823 5.326 375 HB2 LEU 52 HB2 LEU 52 -3.943 0.014 4.218 376 HB3 LEU 52 HB1 LEU 52 -4.572 1.448 3.424 377 HG LEU 52 HG LEU 52 -1.669 0.969 4.098 378 HD11 LEU 52 HD11 LEU 52 -3.135 0.833 1.473 379 HD12 LEU 52 HD12 LEU 52 -2.410 -0.520 2.344 380 HD13 LEU 52 HD13 LEU 52 -1.386 0.750 1.672 381 HD21 LEU 52 HD21 LEU 52 -1.291 2.947 2.676 382 HD22 LEU 52 HD22 LEU 52 -2.205 3.323 4.137 383 HD23 LEU 52 HD23 LEU 52 -3.036 3.193 2.587 384 H GLU 53 HN GLU 53 -4.735 -0.438 6.490 385 HA GLU 53 HA GLU 53 -7.518 -0.179 6.325 386 HB2 GLU 53 HB2 GLU 53 -5.822 -1.817 8.216 387 HB3 GLU 53 HB1 GLU 53 -7.571 -1.938 8.139 388 HG2 GLU 53 HG2 GLU 53 -7.377 -2.602 5.763 389 HG3 GLU 53 HG1 GLU 53 -5.623 -2.596 5.948 390 H SER 54 HN SER 54 -5.348 0.366 9.091 391 HA SER 54 HA SER 54 -7.359 1.078 10.915 392 HB2 SER 54 HB2 SER 54 -5.085 0.327 11.551 393 HB3 SER 54 HB1 SER 54 -4.431 1.849 10.953 394 HG SER 54 HG SER 54 -5.937 1.322 13.243 395 H ARG 55 HN ARG 55 -5.406 3.045 8.707 396 HA ARG 55 HA ARG 55 -6.081 5.532 9.877 397 HB2 ARG 55 HB2 ARG 55 -4.125 5.114 8.363 398 HB3 ARG 55 HB1 ARG 55 -5.251 5.057 7.010 399 HG2 ARG 55 HG2 ARG 55 -5.957 7.362 7.555 400 HG3 ARG 55 HG1 ARG 55 -4.734 7.405 8.824 401 HD2 ARG 55 HD2 ARG 55 -3.009 6.952 7.087 402 HD3 ARG 55 HD1 ARG 55 -4.266 7.104 5.860 403 HE ARG 55 HE ARG 55 -3.733 9.318 7.723 404 HH11 ARG 55 HH11 ARG 55 -3.881 8.059 4.460 405 HH12 ARG 55 HH12 ARG 55 -3.624 9.610 3.711 406 HH21 ARG 55 HH21 ARG 55 -3.352 11.346 6.751 407 HH22 ARG 55 HH22 ARG 55 -3.304 11.470 5.019 408 H TYR 56 HN TYR 56 -7.474 3.734 7.163 409 HA TYR 56 HA TYR 56 -9.376 5.910 6.708 410 HB2 TYR 56 HB2 TYR 56 -8.719 3.435 5.113 411 HB3 TYR 56 HB1 TYR 56 -10.011 4.550 4.687 412 HD1 TYR 56 HD1 TYR 56 -6.350 4.181 5.005 413 HD2 TYR 56 HD2 TYR 56 -9.545 6.651 3.648 414 HE1 TYR 56 HE1 TYR 56 -4.745 5.567 3.763 415 HE2 TYR 56 HE2 TYR 56 -7.945 8.047 2.408 416 HH TYR 56 HH TYR 56 -5.660 8.574 2.285 417 H GLY 57 HN GLY 57 -9.240 2.816 8.181 418 HA2 GLY 57 HA2 GLY 57 -10.922 1.799 9.441 419 HA3 GLY 57 HA1 GLY 57 -12.077 2.954 8.787 420 H VAL 58 HN VAL 58 -9.877 0.912 6.952 421 HA VAL 58 HA VAL 58 -12.221 -0.331 5.684 422 HB VAL 58 HB VAL 58 -10.800 -0.770 3.732 423 HG11 VAL 58 HG11 VAL 58 -12.066 1.293 3.763 424 HG12 VAL 58 HG12 VAL 58 -10.505 1.557 2.980 425 HG13 VAL 58 HG13 VAL 58 -10.764 2.106 4.636 426 HG21 VAL 58 HG21 VAL 58 -8.564 0.246 3.564 427 HG22 VAL 58 HG22 VAL 58 -8.632 -0.983 4.825 428 HG23 VAL 58 HG23 VAL 58 -8.661 0.727 5.258 429 H SER 59 HN SER 59 -11.136 -2.462 4.451 430 HA SER 59 HA SER 59 -9.464 -3.993 6.220 431 HB2 SER 59 HB2 SER 59 -11.766 -4.251 7.202 432 HB3 SER 59 HB1 SER 59 -12.283 -4.970 5.673 433 HG SER 59 HG SER 59 -10.012 -6.069 6.804 434 H ILE 60 HN ILE 60 -8.218 -5.255 5.009 435 HA ILE 60 HA ILE 60 -8.880 -5.533 2.164 436 HB ILE 60 HB ILE 60 -6.269 -6.094 3.590 437 HG12 ILE 60 HG12 ILE 60 -7.092 -3.705 1.907 438 HG13 ILE 60 HG11 ILE 60 -6.913 -3.703 3.658 439 HG21 ILE 60 HG21 ILE 60 -6.949 -5.939 0.656 440 HG22 ILE 60 HG22 ILE 60 -6.469 -7.379 1.556 441 HG23 ILE 60 HG23 ILE 60 -5.316 -6.067 1.311 442 HD11 ILE 60 HD11 ILE 60 -4.717 -4.190 1.659 443 HD12 ILE 60 HD12 ILE 60 -4.538 -4.209 3.413 444 HD13 ILE 60 HD13 ILE 60 -4.981 -2.714 2.590 445 HA PRO 61 HA PRO 61 -10.150 -9.780 2.866 446 HB2 PRO 61 HB2 PRO 61 -9.719 -9.889 -0.065 447 HB3 PRO 61 HB1 PRO 61 -11.145 -10.334 0.878 448 HG2 PRO 61 HG2 PRO 61 -11.117 -8.101 -0.573 449 HG3 PRO 61 HG1 PRO 61 -11.895 -8.146 1.020 450 HD2 PRO 61 HD2 PRO 61 -9.244 -6.999 0.239 451 HD3 PRO 61 HD1 PRO 61 -10.452 -6.371 1.380 452 H ASP 62 HN ASP 62 -8.889 -11.436 3.419 453 HA ASP 62 HA ASP 62 -6.093 -11.316 3.059 454 HB2 ASP 62 HB2 ASP 62 -6.070 -13.550 4.168 455 HB3 ASP 62 HB1 ASP 62 -6.967 -12.318 5.049 456 H ASP 63 HN ASP 63 -8.488 -12.547 0.997 457 HA ASP 63 HA ASP 63 -6.805 -14.440 -0.370 458 HB2 ASP 63 HB2 ASP 63 -9.410 -13.109 -1.125 459 HB3 ASP 63 HB1 ASP 63 -8.558 -14.202 -2.206 460 H VAL 64 HN VAL 64 -7.801 -11.092 -0.854 461 HA VAL 64 HA VAL 64 -6.469 -10.827 -3.374 462 HB VAL 64 HB VAL 64 -7.458 -8.605 -1.588 463 HG11 VAL 64 HG11 VAL 64 -6.997 -8.734 -4.564 464 HG12 VAL 64 HG12 VAL 64 -6.034 -7.834 -3.390 465 HG13 VAL 64 HG13 VAL 64 -7.708 -7.373 -3.698 466 HG21 VAL 64 HG21 VAL 64 -9.250 -10.213 -1.964 467 HG22 VAL 64 HG22 VAL 64 -8.970 -10.129 -3.704 468 HG23 VAL 64 HG23 VAL 64 -9.558 -8.710 -2.833 469 H ALA 65 HN ALA 65 -5.509 -10.581 -0.107 470 HA ALA 65 HA ALA 65 -3.495 -8.656 -0.214 471 HB1 ALA 65 HB1 ALA 65 -2.572 -9.731 1.772 472 HB2 ALA 65 HB2 ALA 65 -3.583 -11.147 1.479 473 HB3 ALA 65 HB3 ALA 65 -4.328 -9.598 1.879 474 H GLY 66 HN GLY 66 -3.533 -11.952 -1.311 475 HA2 GLY 66 HA2 GLY 66 -0.651 -11.789 -1.899 476 HA3 GLY 66 HA1 GLY 66 -1.573 -13.280 -1.777 477 H ARG 67 HN ARG 67 -3.048 -10.667 -3.462 478 HA ARG 67 HA ARG 67 -2.623 -12.129 -5.979 479 HB2 ARG 67 HB2 ARG 67 -4.809 -10.213 -5.170 480 HB3 ARG 67 HB1 ARG 67 -4.641 -10.884 -6.785 481 HG2 ARG 67 HG2 ARG 67 -5.222 -12.371 -4.235 482 HG3 ARG 67 HG1 ARG 67 -6.300 -12.139 -5.611 483 HD2 ARG 67 HD2 ARG 67 -3.779 -13.782 -5.501 484 HD3 ARG 67 HD1 ARG 67 -5.428 -14.364 -5.705 485 HE ARG 67 HE ARG 67 -4.304 -12.595 -7.745 486 HH11 ARG 67 HH11 ARG 67 -5.445 -15.765 -6.796 487 HH12 ARG 67 HH12 ARG 67 -5.434 -16.395 -8.420 488 HH21 ARG 67 HH21 ARG 67 -4.265 -13.434 -9.895 489 HH22 ARG 67 HH22 ARG 67 -4.773 -15.068 -10.171 490 H VAL 68 HN VAL 68 -1.847 -9.193 -4.412 491 HA VAL 68 HA VAL 68 -1.655 -7.704 -6.903 492 HB VAL 68 HB VAL 68 -0.995 -5.782 -5.496 493 HG11 VAL 68 HG11 VAL 68 -3.513 -7.169 -4.591 494 HG12 VAL 68 HG12 VAL 68 -3.342 -6.181 -6.042 495 HG13 VAL 68 HG13 VAL 68 -3.169 -5.444 -4.448 496 HG21 VAL 68 HG21 VAL 68 0.093 -7.011 -3.685 497 HG22 VAL 68 HG22 VAL 68 -1.464 -7.678 -3.197 498 HG23 VAL 68 HG23 VAL 68 -1.167 -5.945 -3.061 499 H ASP 69 HN ASP 69 0.349 -6.293 -7.132 500 HA ASP 69 HA ASP 69 2.802 -7.595 -6.250 501 HB2 ASP 69 HB2 ASP 69 3.677 -7.903 -8.410 502 HB3 ASP 69 HB1 ASP 69 2.030 -8.495 -8.533 503 H THR 70 HN THR 70 1.123 -4.879 -7.632 504 HA THR 70 HA THR 70 3.373 -3.117 -6.937 505 HB THR 70 HB THR 70 2.434 -1.654 -8.850 506 HG1 THR 70 HG1 THR 70 1.450 -4.220 -9.671 507 HG21 THR 70 HG21 THR 70 3.834 -4.247 -9.510 508 HG22 THR 70 HG22 THR 70 4.613 -2.776 -8.927 509 HG23 THR 70 HG23 THR 70 3.823 -2.791 -10.503 510 HA PRO 71 HA PRO 71 0.635 -0.673 -4.424 511 HB2 PRO 71 HB2 PRO 71 1.877 1.613 -5.894 512 HB3 PRO 71 HB1 PRO 71 1.667 1.377 -4.156 513 HG2 PRO 71 HG2 PRO 71 4.040 1.018 -5.278 514 HG3 PRO 71 HG1 PRO 71 3.470 -0.083 -4.009 515 HD2 PRO 71 HD2 PRO 71 3.630 -0.513 -6.960 516 HD3 PRO 71 HD1 PRO 71 3.891 -1.665 -5.633 517 H ARG 72 HN ARG 72 1.004 0.319 -7.812 518 HA ARG 72 HA ARG 72 -1.262 1.894 -8.078 519 HB2 ARG 72 HB2 ARG 72 0.603 1.574 -9.745 520 HB3 ARG 72 HB1 ARG 72 -0.160 0.061 -10.205 521 HG2 ARG 72 HG2 ARG 72 -2.118 1.205 -10.978 522 HG3 ARG 72 HG1 ARG 72 -1.513 2.744 -10.362 523 HD2 ARG 72 HD2 ARG 72 0.339 2.665 -11.936 524 HD3 ARG 72 HD1 ARG 72 -0.209 1.092 -12.520 525 HE ARG 72 HE ARG 72 -2.218 3.123 -12.734 526 HH11 ARG 72 HH11 ARG 72 0.639 1.832 -14.286 527 HH12 ARG 72 HH12 ARG 72 0.119 2.268 -15.887 528 HH21 ARG 72 HH21 ARG 72 -2.901 3.704 -14.853 529 HH22 ARG 72 HH22 ARG 72 -1.881 3.328 -16.206 530 H GLU 73 HN GLU 73 -0.938 -1.578 -8.763 531 HA GLU 73 HA GLU 73 -3.663 -2.002 -9.366 532 HB2 GLU 73 HB2 GLU 73 -1.565 -3.950 -8.398 533 HB3 GLU 73 HB1 GLU 73 -3.137 -4.411 -9.035 534 HG2 GLU 73 HG2 GLU 73 -1.007 -2.920 -10.552 535 HG3 GLU 73 HG1 GLU 73 -1.344 -4.643 -10.691 536 H LEU 74 HN LEU 74 -1.799 -2.381 -6.384 537 HA LEU 74 HA LEU 74 -3.753 -3.554 -4.770 538 HB2 LEU 74 HB2 LEU 74 -1.215 -2.986 -4.356 539 HB3 LEU 74 HB1 LEU 74 -1.853 -1.505 -3.684 540 HG LEU 74 HG LEU 74 -2.500 -4.279 -2.684 541 HD11 LEU 74 HD11 LEU 74 -1.149 -3.577 -0.720 542 HD12 LEU 74 HD12 LEU 74 -0.624 -2.175 -1.650 543 HD13 LEU 74 HD13 LEU 74 -0.222 -3.800 -2.203 544 HD21 LEU 74 HD21 LEU 74 -3.145 -1.592 -1.479 545 HD22 LEU 74 HD22 LEU 74 -3.528 -3.170 -0.789 546 HD23 LEU 74 HD23 LEU 74 -4.303 -2.650 -2.286 547 H LEU 75 HN LEU 75 -3.053 -0.164 -5.428 548 HA LEU 75 HA LEU 75 -4.741 1.046 -3.603 549 HB2 LEU 75 HB2 LEU 75 -2.992 2.125 -5.050 550 HB3 LEU 75 HB1 LEU 75 -4.128 2.043 -6.383 551 HG LEU 75 HG LEU 75 -5.690 3.488 -5.111 552 HD11 LEU 75 HD11 LEU 75 -3.402 3.680 -3.158 553 HD12 LEU 75 HD12 LEU 75 -4.967 2.927 -2.857 554 HD13 LEU 75 HD13 LEU 75 -4.863 4.667 -3.130 555 HD21 LEU 75 HD21 LEU 75 -4.392 5.553 -5.364 556 HD22 LEU 75 HD22 LEU 75 -4.176 4.470 -6.739 557 HD23 LEU 75 HD23 LEU 75 -2.916 4.602 -5.511 558 H ASP 76 HN ASP 76 -5.454 -0.165 -6.845 559 HA ASP 76 HA ASP 76 -7.987 0.994 -7.183 560 HB2 ASP 76 HB2 ASP 76 -6.793 0.026 -9.063 561 HB3 ASP 76 HB1 ASP 76 -6.857 -1.568 -8.322 562 H LEU 77 HN LEU 77 -6.985 -1.920 -5.516 563 HA LEU 77 HA LEU 77 -9.519 -3.134 -5.330 564 HB2 LEU 77 HB2 LEU 77 -6.961 -3.406 -3.818 565 HB3 LEU 77 HB1 LEU 77 -8.406 -4.158 -3.173 566 HG LEU 77 HG LEU 77 -7.127 -5.777 -4.422 567 HD11 LEU 77 HD11 LEU 77 -9.547 -5.981 -4.483 568 HD12 LEU 77 HD12 LEU 77 -8.829 -6.535 -5.996 569 HD13 LEU 77 HD13 LEU 77 -9.610 -4.956 -5.916 570 HD21 LEU 77 HD21 LEU 77 -6.765 -5.540 -6.841 571 HD22 LEU 77 HD22 LEU 77 -5.913 -4.305 -5.914 572 HD23 LEU 77 HD23 LEU 77 -7.406 -3.898 -6.762 573 H ILE 78 HN ILE 78 -7.831 -0.913 -3.138 574 HA ILE 78 HA ILE 78 -9.999 -0.962 -1.249 575 HB ILE 78 HB ILE 78 -7.646 0.937 -1.343 576 HG12 ILE 78 HG12 ILE 78 -8.033 -1.698 0.096 577 HG13 ILE 78 HG11 ILE 78 -6.836 -1.334 -1.143 578 HG21 ILE 78 HG21 ILE 78 -9.459 1.810 0.004 579 HG22 ILE 78 HG22 ILE 78 -8.147 1.269 1.053 580 HG23 ILE 78 HG23 ILE 78 -9.592 0.276 0.863 581 HD11 ILE 78 HD11 ILE 78 -6.940 -0.232 1.660 582 HD12 ILE 78 HD12 ILE 78 -5.803 0.293 0.415 583 HD13 ILE 78 HD13 ILE 78 -5.766 -1.371 0.995 584 H ASN 79 HN ASN 79 -8.863 1.203 -3.799 585 HA ASN 79 HA ASN 79 -10.645 3.331 -3.312 586 HB2 ASN 79 HB2 ASN 79 -9.337 2.358 -5.851 587 HB3 ASN 79 HB1 ASN 79 -10.395 3.761 -5.830 588 HD21 ASN 79 HD21 ASN 79 -9.416 4.533 -3.129 589 HD22 ASN 79 HD22 ASN 79 -7.851 5.220 -3.402 590 H GLY 80 HN GLY 80 -10.975 0.431 -5.327 591 HA2 GLY 80 HA2 GLY 80 -13.475 1.061 -6.450 592 HA3 GLY 80 HA1 GLY 80 -12.809 -0.557 -6.286 593 H ALA 81 HN ALA 81 -12.639 -0.595 -3.439 594 HA ALA 81 HA ALA 81 -15.283 -1.467 -2.862 595 HB1 ALA 81 HB1 ALA 81 -14.420 -1.991 -0.645 596 HB2 ALA 81 HB2 ALA 81 -12.962 -1.056 -0.976 597 HB3 ALA 81 HB3 ALA 81 -13.294 -2.527 -1.891 598 H LEU 82 HN LEU 82 -13.437 1.406 -2.103 599 HA LEU 82 HA LEU 82 -15.368 2.476 -0.283 600 HB2 LEU 82 HB2 LEU 82 -13.066 3.751 -1.758 601 HB3 LEU 82 HB1 LEU 82 -14.049 4.587 -0.574 602 HG LEU 82 HG LEU 82 -12.355 2.149 -0.005 603 HD11 LEU 82 HD11 LEU 82 -11.909 5.044 0.718 604 HD12 LEU 82 HD12 LEU 82 -11.020 4.152 -0.515 605 HD13 LEU 82 HD13 LEU 82 -10.886 3.685 1.181 606 HD21 LEU 82 HD21 LEU 82 -12.855 2.633 2.331 607 HD22 LEU 82 HD22 LEU 82 -14.339 2.332 1.426 608 HD23 LEU 82 HD23 LEU 82 -13.879 3.982 1.843 609 H ALA 83 HN ALA 83 -14.768 2.715 -3.724 610 HA ALA 83 HA ALA 83 -16.368 4.968 -4.260 611 HB1 ALA 83 HB1 ALA 83 -14.699 4.086 -5.818 612 HB2 ALA 83 HB2 ALA 83 -16.280 4.255 -6.580 613 HB3 ALA 83 HB3 ALA 83 -15.704 2.662 -6.087 614 H GLU 84 HN GLU 84 -17.129 1.496 -4.268 615 HA GLU 84 HA GLU 84 -19.892 2.099 -4.962 616 HB2 GLU 84 HB2 GLU 84 -20.162 -0.371 -5.058 617 HB3 GLU 84 HB1 GLU 84 -18.924 0.250 -6.140 618 HG2 GLU 84 HG2 GLU 84 -17.190 -0.470 -4.610 619 HG3 GLU 84 HG1 GLU 84 -18.412 -1.025 -3.461 620 H ALA 85 HN ALA 85 -18.516 2.637 -2.272 621 HA ALA 85 HA ALA 85 -20.291 1.089 -0.526 622 HB1 ALA 85 HB1 ALA 85 -17.937 1.171 0.111 623 HB2 ALA 85 HB2 ALA 85 -18.943 1.972 1.318 624 HB3 ALA 85 HB3 ALA 85 -18.007 2.931 0.172 625 H ALA 86 HN ALA 86 -20.648 3.704 -2.317 626 HA ALA 86 HA ALA 86 -22.413 5.011 -0.382 627 HB1 ALA 86 HB1 ALA 86 -20.324 6.313 -0.414 628 HB2 ALA 86 HB2 ALA 86 -21.681 7.230 -1.068 629 HB3 ALA 86 HB3 ALA 86 -20.489 6.520 -2.157 630 H28 SXO 87 H28B SXO 87 5.572 -12.360 5.326 631 H28A SXO 87 H28A SXO 87 6.343 -13.743 6.101 632 H30 SXO 87 H30A SXO 87 2.712 -13.675 7.016 633 H30A SXO 87 H30C SXO 87 4.330 -13.301 7.613 634 H30B SXO 87 H30B SXO 87 3.545 -12.224 6.456 635 H31 SXO 87 H31A SXO 87 2.416 -14.323 4.588 636 H31A SXO 87 H31B SXO 87 3.838 -14.440 3.550 637 H31B SXO 87 H31C SXO 87 3.290 -12.865 4.124 638 H32 SXO 87 H32A SXO 87 4.895 -15.633 6.953 639 HO33 SXO 87 H33A SXO 87 4.654 -16.948 4.612 640 HN36 SXO 87 H36A SXO 87 2.605 -15.315 7.788 641 H37 SXO 87 H37A SXO 87 0.525 -16.817 6.365 642 H37A SXO 87 H37B SXO 87 1.044 -17.399 7.940 643 H38 SXO 87 H38B SXO 87 0.548 -14.745 8.413 644 H38A SXO 87 H38A SXO 87 -0.540 -16.085 8.782 645 HN41 SXO 87 H41A SXO 87 0.324 -14.949 5.621 646 H42 SXO 87 H42A SXO 87 -2.073 -14.998 4.361 647 H42A SXO 87 H42B SXO 87 -2.065 -13.419 5.145 648 H43 SXO 87 H43B SXO 87 0.055 -14.404 3.237 649 H43A SXO 87 H43A SXO 87 -1.275 -13.312 2.814 650 H2 SXO 87 H2A SXO 87 2.570 -10.663 1.772 651 H2A SXO 87 H2B SXO 87 2.780 -10.936 3.500 652 H3 SXO 87 H3B SXO 87 0.781 -9.523 3.905 653 H3A SXO 87 H3A SXO 87 2.118 -8.659 3.151 654 H4 SXO 87 H4A SXO 87 -0.298 -9.765 1.729 655 H4A SXO 87 H4B SXO 87 1.041 -8.911 0.963 656 H5 SXO 87 H5B SXO 87 -0.854 -7.789 3.022 657 H5A SXO 87 H5A SXO 87 0.528 -6.929 2.339 658 H6 SXO 87 H6A SXO 87 -1.836 -7.985 0.781 659 H6A SXO 87 H6B SXO 87 -0.462 -7.107 0.108 660 H7 SXO 87 H7A SXO 87 -2.373 -5.988 2.167 661 H7A SXO 87 H7B SXO 87 -2.434 -5.646 0.428 662 H8 SXO 87 H8C SXO 87 -0.121 -5.058 2.266 663 H8A SXO 87 H8A SXO 87 -1.277 -3.874 1.660 664 H8B SXO 87 H8B SXO 87 -0.191 -4.700 0.542 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -16.672 11.885 -1.833 2 H2 MET 1 HT2 MET 1 -18.230 11.581 -2.432 3 H3 MET 1 HT3 MET 1 -17.314 10.315 -1.767 4 HA MET 1 HA MET 1 -18.410 12.659 -0.333 5 HB2 MET 1 HB2 MET 1 -19.065 9.716 -0.218 6 HB3 MET 1 HB1 MET 1 -19.631 10.887 0.964 7 HG2 MET 1 HG2 MET 1 -20.796 12.099 -0.830 8 HG3 MET 1 HG1 MET 1 -20.262 10.876 -1.980 9 HE1 MET 1 HE1 MET 1 -21.476 10.320 1.756 10 HE2 MET 1 HE2 MET 1 -23.207 10.106 1.491 11 HE3 MET 1 HE3 MET 1 -22.442 11.658 1.143 12 H ALA 2 HN ALA 2 -16.206 9.910 -0.263 13 HA ALA 2 HA ALA 2 -15.474 10.673 2.491 14 HB1 ALA 2 HB1 ALA 2 -15.196 7.958 1.216 15 HB2 ALA 2 HB2 ALA 2 -16.497 8.440 2.305 16 HB3 ALA 2 HB3 ALA 2 -14.834 8.379 2.891 17 H THR 3 HN THR 3 -13.231 10.224 3.097 18 HA THR 3 HA THR 3 -11.377 11.262 1.186 19 HB THR 3 HB THR 3 -9.926 10.295 3.354 20 HG1 THR 3 HG1 THR 3 -11.250 10.220 5.030 21 HG21 THR 3 HG21 THR 3 -11.275 12.977 3.008 22 HG22 THR 3 HG22 THR 3 -9.715 12.509 2.327 23 HG23 THR 3 HG23 THR 3 -9.911 12.642 4.075 24 H LEU 4 HN LEU 4 -10.708 9.993 -0.415 25 HA LEU 4 HA LEU 4 -10.544 7.130 -0.140 26 HB2 LEU 4 HB2 LEU 4 -9.717 8.880 -2.461 27 HB3 LEU 4 HB1 LEU 4 -9.943 7.142 -2.501 28 HG LEU 4 HG LEU 4 -12.138 9.165 -2.023 29 HD11 LEU 4 HD11 LEU 4 -12.904 8.522 -4.263 30 HD12 LEU 4 HD12 LEU 4 -11.458 7.532 -4.465 31 HD13 LEU 4 HD13 LEU 4 -11.314 9.283 -4.299 32 HD21 LEU 4 HD21 LEU 4 -12.537 7.016 -0.918 33 HD22 LEU 4 HD22 LEU 4 -12.269 6.180 -2.447 34 HD23 LEU 4 HD23 LEU 4 -13.645 7.268 -2.267 35 H LEU 5 HN LEU 5 -8.648 5.890 -0.522 36 HA LEU 5 HA LEU 5 -6.196 7.052 0.497 37 HB2 LEU 5 HB2 LEU 5 -7.212 4.635 0.806 38 HB3 LEU 5 HB1 LEU 5 -6.422 4.318 -0.722 39 HG LEU 5 HG LEU 5 -5.054 5.157 1.846 40 HD11 LEU 5 HD11 LEU 5 -4.110 2.893 1.763 41 HD12 LEU 5 HD12 LEU 5 -5.084 2.545 0.333 42 HD13 LEU 5 HD13 LEU 5 -5.869 2.866 1.881 43 HD21 LEU 5 HD21 LEU 5 -3.892 6.050 -0.121 44 HD22 LEU 5 HD22 LEU 5 -3.848 4.433 -0.824 45 HD23 LEU 5 HD23 LEU 5 -2.960 4.771 0.661 46 H THR 6 HN THR 6 -4.759 8.077 -0.893 47 HA THR 6 HA THR 6 -4.714 7.091 -3.676 48 HB THR 6 HB THR 6 -4.076 9.331 -4.446 49 HG1 THR 6 HG1 THR 6 -4.333 9.945 -1.673 50 HG21 THR 6 HG21 THR 6 -6.438 8.716 -4.464 51 HG22 THR 6 HG22 THR 6 -6.238 10.435 -4.135 52 HG23 THR 6 HG23 THR 6 -6.618 9.326 -2.819 53 H THR 7 HN THR 7 -2.551 8.087 -4.754 54 HA THR 7 HA THR 7 -0.454 6.568 -3.721 55 HB THR 7 HB THR 7 -0.157 8.966 -5.534 56 HG1 THR 7 HG1 THR 7 -1.643 7.696 -6.539 57 HG21 THR 7 HG21 THR 7 1.952 8.055 -4.710 58 HG22 THR 7 HG22 THR 7 1.756 7.717 -6.429 59 HG23 THR 7 HG23 THR 7 1.475 6.441 -5.244 60 H ASP 8 HN ASP 8 -1.331 9.925 -3.147 61 HA ASP 8 HA ASP 8 1.131 10.674 -1.941 62 HB2 ASP 8 HB2 ASP 8 -0.462 12.334 -2.849 63 HB3 ASP 8 HB1 ASP 8 -1.597 11.919 -1.567 64 H ASP 9 HN ASP 9 -1.973 9.558 -0.675 65 HA ASP 9 HA ASP 9 -1.332 9.691 2.059 66 HB2 ASP 9 HB2 ASP 9 -3.152 7.693 0.703 67 HB3 ASP 9 HB1 ASP 9 -3.178 8.146 2.402 68 H LEU 10 HN LEU 10 -1.050 7.089 -0.309 69 HA LEU 10 HA LEU 10 -0.016 5.121 1.397 70 HB2 LEU 10 HB2 LEU 10 -0.919 4.837 -0.950 71 HB3 LEU 10 HB1 LEU 10 0.610 5.456 -1.537 72 HG LEU 10 HG LEU 10 1.762 3.549 -0.437 73 HD11 LEU 10 HD11 LEU 10 0.438 1.649 0.329 74 HD12 LEU 10 HD12 LEU 10 -1.046 2.567 0.066 75 HD13 LEU 10 HD13 LEU 10 0.106 3.086 1.298 76 HD21 LEU 10 HD21 LEU 10 1.032 1.862 -2.059 77 HD22 LEU 10 HD22 LEU 10 1.188 3.453 -2.802 78 HD23 LEU 10 HD23 LEU 10 -0.409 2.820 -2.403 79 H ARG 11 HN ARG 11 1.552 7.629 -0.526 80 HA ARG 11 HA ARG 11 4.212 6.952 -0.240 81 HB2 ARG 11 HB2 ARG 11 3.396 8.762 -1.664 82 HB3 ARG 11 HB1 ARG 11 2.961 9.703 -0.245 83 HG2 ARG 11 HG2 ARG 11 5.300 9.895 0.375 84 HG3 ARG 11 HG1 ARG 11 5.762 8.867 -0.985 85 HD2 ARG 11 HD2 ARG 11 6.127 11.199 -1.532 86 HD3 ARG 11 HD1 ARG 11 4.849 10.529 -2.539 87 HE ARG 11 HE ARG 11 3.258 11.686 -1.050 88 HH11 ARG 11 HH11 ARG 11 6.582 12.757 -1.135 89 HH12 ARG 11 HH12 ARG 11 6.218 14.379 -0.620 90 HH21 ARG 11 HH21 ARG 11 2.744 13.822 -0.406 91 HH22 ARG 11 HH22 ARG 11 4.027 14.985 -0.213 92 H ARG 12 HN ARG 12 2.118 8.684 2.034 93 HA ARG 12 HA ARG 12 4.251 9.149 3.900 94 HB2 ARG 12 HB2 ARG 12 1.444 9.854 3.683 95 HB3 ARG 12 HB1 ARG 12 1.863 9.355 5.311 96 HG2 ARG 12 HG2 ARG 12 3.777 11.000 5.180 97 HG3 ARG 12 HG1 ARG 12 3.029 11.604 3.702 98 HD2 ARG 12 HD2 ARG 12 2.340 12.965 5.578 99 HD3 ARG 12 HD1 ARG 12 0.962 12.050 4.965 100 HE ARG 12 HE ARG 12 1.827 10.453 6.941 101 HH11 ARG 12 HH11 ARG 12 1.242 13.919 6.874 102 HH12 ARG 12 HH12 ARG 12 0.762 13.989 8.547 103 HH21 ARG 12 HH21 ARG 12 1.240 10.548 9.128 104 HH22 ARG 12 HH22 ARG 12 0.773 12.070 9.838 105 H ALA 13 HN ALA 13 1.719 6.747 3.496 106 HA ALA 13 HA ALA 13 1.746 5.658 6.073 107 HB1 ALA 13 HB1 ALA 13 0.602 3.753 5.117 108 HB2 ALA 13 HB2 ALA 13 1.105 4.234 3.497 109 HB3 ALA 13 HB3 ALA 13 -0.013 5.248 4.411 110 H LEU 14 HN LEU 14 3.762 4.940 3.270 111 HA LEU 14 HA LEU 14 4.991 2.636 4.439 112 HB2 LEU 14 HB2 LEU 14 5.556 4.335 2.040 113 HB3 LEU 14 HB1 LEU 14 6.762 3.195 2.595 114 HG LEU 14 HG LEU 14 5.466 2.219 0.797 115 HD11 LEU 14 HD11 LEU 14 4.738 0.966 3.439 116 HD12 LEU 14 HD12 LEU 14 6.245 0.718 2.559 117 HD13 LEU 14 HD13 LEU 14 4.719 0.166 1.868 118 HD21 LEU 14 HD21 LEU 14 3.407 3.522 1.077 119 HD22 LEU 14 HD22 LEU 14 3.040 2.611 2.542 120 HD23 LEU 14 HD23 LEU 14 3.086 1.791 0.981 121 H VAL 15 HN VAL 15 5.545 6.054 4.613 122 HA VAL 15 HA VAL 15 8.248 5.753 5.634 123 HB VAL 15 HB VAL 15 6.555 8.248 5.388 124 HG11 VAL 15 HG11 VAL 15 8.281 8.591 7.028 125 HG12 VAL 15 HG12 VAL 15 8.722 9.444 5.549 126 HG13 VAL 15 HG13 VAL 15 9.503 7.914 5.951 127 HG21 VAL 15 HG21 VAL 15 6.941 7.295 3.215 128 HG22 VAL 15 HG22 VAL 15 8.662 7.108 3.553 129 HG23 VAL 15 HG23 VAL 15 7.960 8.721 3.406 130 H GLU 16 HN GLU 16 5.025 6.105 6.867 131 HA GLU 16 HA GLU 16 5.924 6.784 9.531 132 HB2 GLU 16 HB2 GLU 16 3.188 6.104 8.442 133 HB3 GLU 16 HB1 GLU 16 3.503 6.572 10.109 134 HG2 GLU 16 HG2 GLU 16 4.264 8.738 9.418 135 HG3 GLU 16 HG1 GLU 16 4.157 8.281 7.720 136 H SER 17 HN SER 17 5.309 3.945 7.712 137 HA SER 17 HA SER 17 5.105 2.251 10.060 138 HB2 SER 17 HB2 SER 17 5.087 0.410 8.281 139 HB3 SER 17 HB1 SER 17 3.731 1.537 8.275 140 HG SER 17 HG SER 17 4.410 2.392 6.439 141 H ALA 18 HN ALA 18 7.239 2.255 7.201 142 HA ALA 18 HA ALA 18 9.297 0.857 8.672 143 HB1 ALA 18 HB1 ALA 18 8.850 0.343 6.306 144 HB2 ALA 18 HB2 ALA 18 10.521 0.843 6.569 145 HB3 ALA 18 HB3 ALA 18 9.362 1.972 5.866 146 H GLY 19 HN GLY 19 9.394 3.841 6.734 147 HA2 GLY 19 HA2 GLY 19 10.003 5.972 7.483 148 HA3 GLY 19 HA1 GLY 19 10.593 5.258 8.971 149 H GLU 20 HN GLU 20 11.973 7.201 7.755 150 HA GLU 20 HA GLU 20 14.053 7.823 7.132 151 HB2 GLU 20 HB2 GLU 20 14.789 4.976 7.815 152 HB3 GLU 20 HB1 GLU 20 15.901 6.331 7.657 153 HG2 GLU 20 HG2 GLU 20 14.717 7.453 9.514 154 HG3 GLU 20 HG1 GLU 20 13.744 5.996 9.724 155 H THR 21 HN THR 21 13.620 8.211 4.955 156 HA THR 21 HA THR 21 14.318 6.051 3.102 157 HB THR 21 HB THR 21 13.452 7.667 1.352 158 HG1 THR 21 HG1 THR 21 13.513 9.595 2.490 159 HG21 THR 21 HG21 THR 21 11.076 7.230 1.896 160 HG22 THR 21 HG22 THR 21 11.565 6.730 3.516 161 HG23 THR 21 HG23 THR 21 12.095 5.806 2.110 162 H ASP 22 HN ASP 22 16.571 6.273 3.716 163 HA ASP 22 HA ASP 22 18.038 8.648 3.115 164 HB2 ASP 22 HB2 ASP 22 18.872 5.805 3.670 165 HB3 ASP 22 HB1 ASP 22 20.037 7.065 3.286 166 H GLY 23 HN GLY 23 17.195 5.744 1.360 167 HA2 GLY 23 HA2 GLY 23 17.986 6.999 -1.131 168 HA3 GLY 23 HA1 GLY 23 18.890 5.548 -0.710 169 H THR 24 HN THR 24 15.487 6.553 -0.563 170 HA THR 24 HA THR 24 14.700 4.305 -2.222 171 HB THR 24 HB THR 24 13.508 4.559 0.543 172 HG1 THR 24 HG1 THR 24 15.700 2.995 -0.374 173 HG21 THR 24 HG21 THR 24 13.465 2.293 -1.454 174 HG22 THR 24 HG22 THR 24 12.155 3.443 -1.199 175 HG23 THR 24 HG23 THR 24 12.626 2.344 0.096 176 H ASP 25 HN ASP 25 13.929 5.924 -3.623 177 HA ASP 25 HA ASP 25 12.203 8.005 -2.666 178 HB2 ASP 25 HB2 ASP 25 13.217 7.229 -5.381 179 HB3 ASP 25 HB1 ASP 25 11.946 8.433 -5.203 180 H LEU 26 HN LEU 26 10.318 7.187 -1.885 181 HA LEU 26 HA LEU 26 8.553 5.871 -3.836 182 HB2 LEU 26 HB2 LEU 26 8.490 6.120 -0.854 183 HB3 LEU 26 HB1 LEU 26 6.987 5.892 -1.724 184 HG LEU 26 HG LEU 26 8.052 3.820 -2.747 185 HD11 LEU 26 HD11 LEU 26 9.871 2.803 -1.473 186 HD12 LEU 26 HD12 LEU 26 10.015 4.275 -0.509 187 HD13 LEU 26 HD13 LEU 26 10.362 4.313 -2.238 188 HD21 LEU 26 HD21 LEU 26 6.339 3.722 -1.026 189 HD22 LEU 26 HD22 LEU 26 7.566 3.893 0.230 190 HD23 LEU 26 HD23 LEU 26 7.541 2.452 -0.790 191 H SER 27 HN SER 27 9.478 8.740 -3.684 192 HA SER 27 HA SER 27 6.906 10.097 -3.264 193 HB2 SER 27 HB2 SER 27 9.219 10.797 -2.195 194 HB3 SER 27 HB1 SER 27 9.472 11.563 -3.763 195 HG SER 27 HG SER 27 8.513 12.997 -2.270 196 H GLY 28 HN GLY 28 7.513 8.447 -5.582 197 HA2 GLY 28 HA2 GLY 28 6.860 10.400 -7.635 198 HA3 GLY 28 HA1 GLY 28 8.333 9.475 -7.901 199 H ASP 29 HN ASP 29 7.456 8.516 -9.771 200 HA ASP 29 HA ASP 29 5.013 7.028 -9.683 201 HB2 ASP 29 HB2 ASP 29 7.233 6.843 -11.735 202 HB3 ASP 29 HB1 ASP 29 5.576 6.283 -11.922 203 H PHE 30 HN PHE 30 5.437 5.669 -7.833 204 HA PHE 30 HA PHE 30 7.297 3.461 -8.398 205 HB2 PHE 30 HB2 PHE 30 7.323 2.977 -6.041 206 HB3 PHE 30 HB1 PHE 30 7.625 4.693 -6.256 207 HD1 PHE 30 HD2 PHE 30 5.795 6.323 -5.776 208 HD2 PHE 30 HD1 PHE 30 5.489 2.197 -4.776 209 HE1 PHE 30 HE2 PHE 30 3.957 6.840 -4.222 210 HE2 PHE 30 HE1 PHE 30 3.650 2.707 -3.224 211 HZ PHE 30 HZ PHE 30 2.926 5.009 -2.890 212 H LEU 31 HN LEU 31 4.069 4.255 -8.518 213 HA LEU 31 HA LEU 31 2.672 2.069 -7.540 214 HB2 LEU 31 HB2 LEU 31 2.071 3.724 -9.985 215 HB3 LEU 31 HB1 LEU 31 0.940 2.627 -9.224 216 HG LEU 31 HG LEU 31 2.085 5.121 -7.960 217 HD11 LEU 31 HD11 LEU 31 0.474 5.522 -9.782 218 HD12 LEU 31 HD12 LEU 31 -0.161 5.994 -8.206 219 HD13 LEU 31 HD13 LEU 31 -0.687 4.484 -8.952 220 HD21 LEU 31 HD21 LEU 31 0.419 4.697 -6.202 221 HD22 LEU 31 HD22 LEU 31 1.624 3.411 -6.293 222 HD23 LEU 31 HD23 LEU 31 0.014 3.163 -6.976 223 H ASP 32 HN ASP 32 4.716 2.209 -10.302 224 HA ASP 32 HA ASP 32 3.378 -0.003 -11.645 225 HB2 ASP 32 HB2 ASP 32 4.157 2.099 -12.831 226 HB3 ASP 32 HB1 ASP 32 5.804 1.532 -12.577 227 H LEU 33 HN LEU 33 6.027 0.529 -9.566 228 HA LEU 33 HA LEU 33 7.515 -1.793 -10.512 229 HB2 LEU 33 HB2 LEU 33 8.160 0.067 -8.226 230 HB3 LEU 33 HB1 LEU 33 9.231 -1.122 -8.943 231 HG LEU 33 HG LEU 33 8.227 1.421 -10.214 232 HD11 LEU 33 HD11 LEU 33 10.042 1.718 -8.622 233 HD12 LEU 33 HD12 LEU 33 10.588 2.019 -10.272 234 HD13 LEU 33 HD13 LEU 33 10.999 0.503 -9.469 235 HD21 LEU 33 HD21 LEU 33 9.924 -0.754 -11.438 236 HD22 LEU 33 HD22 LEU 33 9.550 0.806 -12.171 237 HD23 LEU 33 HD23 LEU 33 8.262 -0.361 -11.877 238 H ARG 34 HN ARG 34 8.153 -3.484 -9.008 239 HA ARG 34 HA ARG 34 5.970 -4.385 -7.400 240 HB2 ARG 34 HB2 ARG 34 8.721 -5.410 -7.973 241 HB3 ARG 34 HB1 ARG 34 7.792 -6.110 -6.656 242 HG2 ARG 34 HG2 ARG 34 5.989 -6.624 -8.258 243 HG3 ARG 34 HG1 ARG 34 7.015 -6.016 -9.561 244 HD2 ARG 34 HD2 ARG 34 8.588 -7.736 -9.269 245 HD3 ARG 34 HD1 ARG 34 7.947 -8.168 -7.687 246 HE ARG 34 HE ARG 34 5.897 -8.578 -9.519 247 HH11 ARG 34 HH11 ARG 34 9.109 -9.823 -8.850 248 HH12 ARG 34 HH12 ARG 34 8.766 -11.405 -9.481 249 HH21 ARG 34 HH21 ARG 34 5.440 -10.688 -10.318 250 HH22 ARG 34 HH22 ARG 34 6.684 -11.901 -10.296 251 H PHE 35 HN PHE 35 5.714 -4.435 -5.214 252 HA PHE 35 HA PHE 35 6.890 -2.592 -3.511 253 HB2 PHE 35 HB2 PHE 35 5.601 -5.254 -2.882 254 HB3 PHE 35 HB1 PHE 35 6.083 -4.103 -1.643 255 HD1 PHE 35 HD2 PHE 35 5.043 -1.780 -1.711 256 HD2 PHE 35 HD1 PHE 35 3.522 -5.086 -3.919 257 HE1 PHE 35 HE2 PHE 35 2.867 -0.648 -1.900 258 HE2 PHE 35 HE1 PHE 35 1.339 -3.955 -4.112 259 HZ PHE 35 HZ PHE 35 1.019 -1.732 -3.100 260 H GLU 36 HN GLU 36 7.618 -6.056 -3.753 261 HA GLU 36 HA GLU 36 9.722 -6.132 -1.926 262 HB2 GLU 36 HB2 GLU 36 9.494 -7.880 -4.374 263 HB3 GLU 36 HB1 GLU 36 10.252 -8.278 -2.838 264 HG2 GLU 36 HG2 GLU 36 7.313 -7.895 -3.359 265 HG3 GLU 36 HG1 GLU 36 8.142 -9.411 -3.009 266 H ASP 37 HN ASP 37 9.648 -4.902 -5.137 267 HA ASP 37 HA ASP 37 12.461 -5.342 -5.648 268 HB2 ASP 37 HB2 ASP 37 10.717 -5.461 -7.440 269 HB3 ASP 37 HB1 ASP 37 10.485 -3.726 -7.262 270 H ILE 38 HN ILE 38 10.396 -2.759 -4.523 271 HA ILE 38 HA ILE 38 12.543 -0.811 -4.794 272 HB ILE 38 HB ILE 38 10.937 0.823 -3.853 273 HG12 ILE 38 HG12 ILE 38 8.998 -1.503 -3.932 274 HG13 ILE 38 HG11 ILE 38 9.608 -0.729 -2.476 275 HG21 ILE 38 HG21 ILE 38 9.939 -0.772 -6.201 276 HG22 ILE 38 HG22 ILE 38 11.120 0.536 -6.246 277 HG23 ILE 38 HG23 ILE 38 9.447 0.873 -5.799 278 HD11 ILE 38 HD11 ILE 38 7.895 0.575 -4.576 279 HD12 ILE 38 HD12 ILE 38 8.507 1.351 -3.116 280 HD13 ILE 38 HD13 ILE 38 7.358 0.019 -2.990 281 H GLY 39 HN GLY 39 12.412 -3.200 -2.846 282 HA2 GLY 39 HA2 GLY 39 13.958 -3.380 -1.069 283 HA3 GLY 39 HA1 GLY 39 13.750 -1.667 -0.746 284 H TYR 40 HN TYR 40 11.183 -4.102 -1.057 285 HA TYR 40 HA TYR 40 10.699 -3.792 1.825 286 HB2 TYR 40 HB2 TYR 40 8.688 -3.707 -0.412 287 HB3 TYR 40 HB1 TYR 40 8.213 -4.125 1.235 288 HD1 TYR 40 HD2 TYR 40 8.483 -2.453 3.055 289 HD2 TYR 40 HD1 TYR 40 9.185 -1.455 -1.021 290 HE1 TYR 40 HE2 TYR 40 8.346 -0.066 3.621 291 HE2 TYR 40 HE1 TYR 40 9.053 0.938 -0.465 292 HH TYR 40 HH TYR 40 9.136 2.079 2.720 293 H ASP 41 HN ASP 41 9.525 -5.544 2.812 294 HA ASP 41 HA ASP 41 9.881 -8.116 1.418 295 HB2 ASP 41 HB2 ASP 41 10.127 -7.672 4.405 296 HB3 ASP 41 HB1 ASP 41 10.429 -9.168 3.535 297 H SER 42 HN SER 42 8.357 -9.768 2.069 298 HA SER 42 HA SER 42 5.713 -9.100 2.208 299 HB2 SER 42 HB2 SER 42 5.713 -11.503 3.488 300 HB3 SER 42 HB1 SER 42 5.912 -11.315 1.744 301 H LEU 43 HN LEU 43 7.903 -9.677 4.934 302 HA LEU 43 HA LEU 43 6.074 -9.467 7.023 303 HB2 LEU 43 HB2 LEU 43 8.398 -10.196 7.310 304 HB3 LEU 43 HB1 LEU 43 8.963 -8.573 6.960 305 HG LEU 43 HG LEU 43 7.801 -7.765 8.995 306 HD11 LEU 43 HD11 LEU 43 6.079 -9.482 9.155 307 HD12 LEU 43 HD12 LEU 43 7.015 -9.386 10.645 308 HD13 LEU 43 HD13 LEU 43 7.308 -10.699 9.504 309 HD21 LEU 43 HD21 LEU 43 10.165 -8.322 9.054 310 HD22 LEU 43 HD22 LEU 43 9.773 -10.000 9.435 311 HD23 LEU 43 HD23 LEU 43 9.390 -8.719 10.587 312 H ALA 44 HN ALA 44 8.148 -6.859 5.712 313 HA ALA 44 HA ALA 44 6.985 -4.806 7.244 314 HB1 ALA 44 HB1 ALA 44 8.405 -4.616 4.594 315 HB2 ALA 44 HB2 ALA 44 9.159 -4.545 6.188 316 HB3 ALA 44 HB3 ALA 44 8.061 -3.263 5.669 317 H LEU 45 HN LEU 45 6.181 -6.140 4.094 318 HA LEU 45 HA LEU 45 4.417 -4.137 3.237 319 HB2 LEU 45 HB2 LEU 45 5.401 -5.949 1.831 320 HB3 LEU 45 HB1 LEU 45 4.300 -7.082 2.591 321 HG LEU 45 HG LEU 45 2.391 -5.784 1.687 322 HD11 LEU 45 HD11 LEU 45 2.804 -4.139 -0.077 323 HD12 LEU 45 HD12 LEU 45 4.537 -4.243 0.237 324 HD13 LEU 45 HD13 LEU 45 3.451 -3.612 1.475 325 HD21 LEU 45 HD21 LEU 45 2.702 -6.485 -0.656 326 HD22 LEU 45 HD22 LEU 45 3.162 -7.733 0.502 327 HD23 LEU 45 HD23 LEU 45 4.407 -6.787 -0.316 328 H MET 46 HN MET 46 3.769 -7.198 4.962 329 HA MET 46 HA MET 46 0.968 -6.785 5.052 330 HB2 MET 46 HB2 MET 46 0.878 -8.657 6.585 331 HB3 MET 46 HB1 MET 46 1.983 -9.020 5.269 332 HG2 MET 46 HG2 MET 46 3.194 -9.803 7.016 333 HG3 MET 46 HG1 MET 46 3.770 -8.140 6.990 334 HE1 MET 46 HE1 MET 46 0.279 -9.469 8.241 335 HE2 MET 46 HE2 MET 46 0.615 -9.730 9.955 336 HE3 MET 46 HE3 MET 46 1.411 -10.727 8.740 337 H GLU 47 HN GLU 47 3.576 -5.944 7.287 338 HA GLU 47 HA GLU 47 1.919 -5.050 9.395 339 HB2 GLU 47 HB2 GLU 47 4.726 -4.241 8.620 340 HB3 GLU 47 HB1 GLU 47 3.932 -3.706 10.094 341 HG2 GLU 47 HG2 GLU 47 3.680 -6.115 10.726 342 HG3 GLU 47 HG1 GLU 47 4.682 -6.517 9.332 343 H THR 48 HN THR 48 3.094 -3.502 6.474 344 HA THR 48 HA THR 48 2.309 -0.868 7.094 345 HB THR 48 HB THR 48 2.501 -2.150 4.360 346 HG1 THR 48 HG1 THR 48 4.473 -2.294 5.541 347 HG21 THR 48 HG21 THR 48 2.651 0.743 5.209 348 HG22 THR 48 HG22 THR 48 1.308 -0.012 4.351 349 HG23 THR 48 HG23 THR 48 2.884 0.132 3.570 350 H ALA 49 HN ALA 49 0.547 -3.608 5.787 351 HA ALA 49 HA ALA 49 -1.676 -2.323 4.722 352 HB1 ALA 49 HB1 ALA 49 -1.581 -4.993 6.119 353 HB2 ALA 49 HB2 ALA 49 -1.204 -4.699 4.422 354 HB3 ALA 49 HB3 ALA 49 -2.845 -4.443 5.017 355 H ALA 50 HN ALA 50 -1.009 -3.303 8.038 356 HA ALA 50 HA ALA 50 -3.563 -2.802 9.108 357 HB1 ALA 50 HB1 ALA 50 -2.466 -2.871 11.279 358 HB2 ALA 50 HB2 ALA 50 -0.890 -2.720 10.500 359 HB3 ALA 50 HB3 ALA 50 -1.869 -4.164 10.238 360 H ARG 51 HN ARG 51 -0.911 -0.751 8.299 361 HA ARG 51 HA ARG 51 -1.643 1.468 9.924 362 HB2 ARG 51 HB2 ARG 51 0.098 1.257 7.469 363 HB3 ARG 51 HB1 ARG 51 -0.091 2.725 8.409 364 HG2 ARG 51 HG2 ARG 51 0.903 0.144 9.575 365 HG3 ARG 51 HG1 ARG 51 1.966 1.368 8.887 366 HD2 ARG 51 HD2 ARG 51 1.906 1.669 11.259 367 HD3 ARG 51 HD1 ARG 51 1.039 3.006 10.514 368 HE ARG 51 HE ARG 51 -1.019 1.577 11.092 369 HH11 ARG 51 HH11 ARG 51 1.914 1.748 12.989 370 HH12 ARG 51 HH12 ARG 51 1.102 1.407 14.495 371 HH21 ARG 51 HH21 ARG 51 -2.089 1.168 13.098 372 HH22 ARG 51 HH22 ARG 51 -1.151 1.099 14.554 373 H LEU 52 HN LEU 52 -2.348 0.470 6.624 374 HA LEU 52 HA LEU 52 -3.730 2.862 5.902 375 HB2 LEU 52 HB2 LEU 52 -3.953 0.084 4.726 376 HB3 LEU 52 HB1 LEU 52 -4.566 1.554 3.990 377 HG LEU 52 HG LEU 52 -1.652 0.961 4.512 378 HD11 LEU 52 HD11 LEU 52 -2.595 -0.459 2.767 379 HD12 LEU 52 HD12 LEU 52 -1.489 0.734 2.086 380 HD13 LEU 52 HD13 LEU 52 -3.232 0.964 1.943 381 HD21 LEU 52 HD21 LEU 52 -1.253 2.970 3.160 382 HD22 LEU 52 HD22 LEU 52 -2.162 3.342 4.627 383 HD23 LEU 52 HD23 LEU 52 -2.995 3.252 3.075 384 H GLU 53 HN GLU 53 -4.742 -0.353 6.964 385 HA GLU 53 HA GLU 53 -7.494 0.063 6.813 386 HB2 GLU 53 HB2 GLU 53 -6.006 -1.738 8.722 387 HB3 GLU 53 HB1 GLU 53 -7.708 -1.860 8.300 388 HG2 GLU 53 HG2 GLU 53 -7.065 -2.303 5.953 389 HG3 GLU 53 HG1 GLU 53 -5.373 -2.264 6.444 390 H SER 54 HN SER 54 -5.277 0.571 9.554 391 HA SER 54 HA SER 54 -7.281 1.234 11.415 392 HB2 SER 54 HB2 SER 54 -5.359 2.308 12.690 393 HB3 SER 54 HB1 SER 54 -5.176 0.601 12.293 394 HG SER 54 HG SER 54 -3.726 1.097 10.739 395 H ARG 55 HN ARG 55 -5.573 3.195 9.062 396 HA ARG 55 HA ARG 55 -6.281 5.709 10.202 397 HB2 ARG 55 HB2 ARG 55 -4.356 5.513 8.719 398 HB3 ARG 55 HB1 ARG 55 -5.400 5.017 7.391 399 HG2 ARG 55 HG2 ARG 55 -6.468 7.198 7.382 400 HG3 ARG 55 HG1 ARG 55 -5.486 7.699 8.760 401 HD2 ARG 55 HD2 ARG 55 -4.323 6.820 6.123 402 HD3 ARG 55 HD1 ARG 55 -4.688 8.500 6.514 403 HE ARG 55 HE ARG 55 -3.115 7.528 8.573 404 HH11 ARG 55 HH11 ARG 55 -2.774 8.015 5.119 405 HH12 ARG 55 HH12 ARG 55 -1.082 8.376 5.210 406 HH21 ARG 55 HH21 ARG 55 -0.888 7.976 8.698 407 HH22 ARG 55 HH22 ARG 55 0.004 8.353 7.252 408 H TYR 56 HN TYR 56 -7.661 3.762 7.572 409 HA TYR 56 HA TYR 56 -9.707 5.821 7.169 410 HB2 TYR 56 HB2 TYR 56 -9.015 3.399 5.497 411 HB3 TYR 56 HB1 TYR 56 -10.209 4.622 5.072 412 HD1 TYR 56 HD2 TYR 56 -9.495 6.884 4.431 413 HD2 TYR 56 HD1 TYR 56 -6.647 3.828 5.263 414 HE1 TYR 56 HE2 TYR 56 -7.734 8.236 3.369 415 HE2 TYR 56 HE1 TYR 56 -4.889 5.173 4.205 416 HH TYR 56 HH TYR 56 -5.414 8.475 3.242 417 H GLY 57 HN GLY 57 -9.327 2.776 8.651 418 HA2 GLY 57 HA2 GLY 57 -10.887 1.573 9.887 419 HA3 GLY 57 HA1 GLY 57 -12.135 2.680 9.322 420 H VAL 58 HN VAL 58 -9.886 0.723 7.410 421 HA VAL 58 HA VAL 58 -12.229 -0.491 6.110 422 HB VAL 58 HB VAL 58 -10.804 -0.884 4.145 423 HG11 VAL 58 HG11 VAL 58 -12.116 1.160 4.256 424 HG12 VAL 58 HG12 VAL 58 -10.592 1.441 3.414 425 HG13 VAL 58 HG13 VAL 58 -10.790 1.978 5.083 426 HG21 VAL 58 HG21 VAL 58 -8.642 -1.053 5.295 427 HG22 VAL 58 HG22 VAL 58 -8.702 0.673 5.654 428 HG23 VAL 58 HG23 VAL 58 -8.587 0.122 3.982 429 H SER 59 HN SER 59 -11.181 -2.585 4.804 430 HA SER 59 HA SER 59 -9.447 -4.152 6.495 431 HB2 SER 59 HB2 SER 59 -12.286 -5.015 5.874 432 HB3 SER 59 HB1 SER 59 -11.056 -6.040 6.602 433 HG SER 59 HG SER 59 -11.209 -3.738 7.968 434 H ILE 60 HN ILE 60 -8.165 -5.389 5.251 435 HA ILE 60 HA ILE 60 -8.724 -5.440 2.373 436 HB ILE 60 HB ILE 60 -6.199 -6.157 3.882 437 HG12 ILE 60 HG12 ILE 60 -6.942 -3.686 2.295 438 HG13 ILE 60 HG11 ILE 60 -6.776 -3.773 4.042 439 HG21 ILE 60 HG21 ILE 60 -6.343 -7.356 1.775 440 HG22 ILE 60 HG22 ILE 60 -5.113 -6.096 1.681 441 HG23 ILE 60 HG23 ILE 60 -6.685 -5.852 0.920 442 HD11 ILE 60 HD11 ILE 60 -4.574 -4.127 2.020 443 HD12 ILE 60 HD12 ILE 60 -4.389 -4.289 3.765 444 HD13 ILE 60 HD13 ILE 60 -4.835 -2.730 3.067 445 HA PRO 61 HA PRO 61 -10.211 -9.626 2.844 446 HB2 PRO 61 HB2 PRO 61 -10.176 -9.645 -0.098 447 HB3 PRO 61 HB1 PRO 61 -11.537 -9.841 1.010 448 HG2 PRO 61 HG2 PRO 61 -11.228 -7.615 -0.453 449 HG3 PRO 61 HG1 PRO 61 -11.890 -7.567 1.191 450 HD2 PRO 61 HD2 PRO 61 -9.122 -6.912 0.245 451 HD3 PRO 61 HD1 PRO 61 -10.138 -6.059 1.428 452 H ASP 62 HN ASP 62 -9.319 -11.602 2.831 453 HA ASP 62 HA ASP 62 -6.567 -11.931 2.571 454 HB2 ASP 62 HB2 ASP 62 -8.666 -14.105 2.503 455 HB3 ASP 62 HB1 ASP 62 -6.976 -14.299 2.954 456 H ASP 63 HN ASP 63 -9.051 -12.309 0.170 457 HA ASP 63 HA ASP 63 -7.584 -14.101 -1.505 458 HB2 ASP 63 HB2 ASP 63 -10.112 -12.527 -1.807 459 HB3 ASP 63 HB1 ASP 63 -9.365 -13.238 -3.234 460 H VAL 64 HN VAL 64 -8.509 -10.675 -1.936 461 HA VAL 64 HA VAL 64 -6.908 -10.474 -4.284 462 HB VAL 64 HB VAL 64 -7.982 -8.132 -2.733 463 HG11 VAL 64 HG11 VAL 64 -6.476 -7.604 -4.573 464 HG12 VAL 64 HG12 VAL 64 -8.126 -7.116 -4.967 465 HG13 VAL 64 HG13 VAL 64 -7.448 -8.585 -5.668 466 HG21 VAL 64 HG21 VAL 64 -9.455 -9.866 -4.709 467 HG22 VAL 64 HG22 VAL 64 -10.042 -8.339 -4.052 468 HG23 VAL 64 HG23 VAL 64 -9.800 -9.723 -2.984 469 H ALA 65 HN ALA 65 -6.308 -10.014 -0.923 470 HA ALA 65 HA ALA 65 -4.292 -8.077 -1.004 471 HB1 ALA 65 HB1 ALA 65 -4.544 -10.357 0.949 472 HB2 ALA 65 HB2 ALA 65 -5.407 -8.823 1.059 473 HB3 ALA 65 HB3 ALA 65 -3.650 -8.857 1.194 474 H GLY 66 HN GLY 66 -4.159 -11.550 -1.452 475 HA2 GLY 66 HA2 GLY 66 -1.243 -11.493 -1.616 476 HA3 GLY 66 HA1 GLY 66 -2.262 -12.926 -1.654 477 H ARG 67 HN ARG 67 -3.649 -10.790 -3.724 478 HA ARG 67 HA ARG 67 -2.363 -12.150 -5.984 479 HB2 ARG 67 HB2 ARG 67 -5.043 -10.778 -5.801 480 HB3 ARG 67 HB1 ARG 67 -4.393 -11.510 -7.262 481 HG2 ARG 67 HG2 ARG 67 -4.295 -13.680 -6.043 482 HG3 ARG 67 HG1 ARG 67 -5.131 -12.898 -4.701 483 HD2 ARG 67 HD2 ARG 67 -6.975 -12.324 -6.248 484 HD3 ARG 67 HD1 ARG 67 -6.153 -13.228 -7.517 485 HE ARG 67 HE ARG 67 -6.631 -14.756 -5.126 486 HH11 ARG 67 HH11 ARG 67 -7.891 -13.771 -8.253 487 HH12 ARG 67 HH12 ARG 67 -9.108 -15.017 -8.300 488 HH21 ARG 67 HH21 ARG 67 -8.194 -16.403 -5.191 489 HH22 ARG 67 HH22 ARG 67 -9.281 -16.514 -6.547 490 H VAL 68 HN VAL 68 -2.051 -9.302 -4.434 491 HA VAL 68 HA VAL 68 -1.885 -7.646 -6.814 492 HB VAL 68 HB VAL 68 -1.192 -5.822 -5.335 493 HG11 VAL 68 HG11 VAL 68 -3.618 -7.314 -4.347 494 HG12 VAL 68 HG12 VAL 68 -3.563 -6.188 -5.703 495 HG13 VAL 68 HG13 VAL 68 -3.277 -5.609 -4.062 496 HG21 VAL 68 HG21 VAL 68 -1.133 -6.099 -2.914 497 HG22 VAL 68 HG22 VAL 68 0.061 -7.143 -3.686 498 HG23 VAL 68 HG23 VAL 68 -1.453 -7.826 -3.090 499 H ASP 69 HN ASP 69 0.150 -6.278 -7.036 500 HA ASP 69 HA ASP 69 2.595 -7.710 -6.379 501 HB2 ASP 69 HB2 ASP 69 1.531 -8.602 -8.566 502 HB3 ASP 69 HB1 ASP 69 2.002 -7.054 -9.259 503 H THR 70 HN THR 70 1.189 -5.150 -8.377 504 HA THR 70 HA THR 70 3.342 -3.345 -7.561 505 HB THR 70 HB THR 70 2.450 -1.884 -9.415 506 HG1 THR 70 HG1 THR 70 0.878 -2.667 -10.737 507 HG21 THR 70 HG21 THR 70 4.384 -3.341 -9.771 508 HG22 THR 70 HG22 THR 70 3.391 -3.248 -11.228 509 HG23 THR 70 HG23 THR 70 3.308 -4.673 -10.193 510 HA PRO 71 HA PRO 71 0.764 -0.931 -4.847 511 HB2 PRO 71 HB2 PRO 71 1.962 1.426 -6.191 512 HB3 PRO 71 HB1 PRO 71 1.911 1.013 -4.472 513 HG2 PRO 71 HG2 PRO 71 4.166 0.747 -5.845 514 HG3 PRO 71 HG1 PRO 71 3.689 -0.471 -4.642 515 HD2 PRO 71 HD2 PRO 71 3.493 -0.581 -7.630 516 HD3 PRO 71 HD1 PRO 71 3.974 -1.849 -6.484 517 H ARG 72 HN ARG 72 0.899 -0.081 -8.266 518 HA ARG 72 HA ARG 72 -1.280 1.651 -8.374 519 HB2 ARG 72 HB2 ARG 72 0.452 0.795 -10.211 520 HB3 ARG 72 HB1 ARG 72 -0.887 -0.270 -10.618 521 HG2 ARG 72 HG2 ARG 72 -1.040 2.733 -10.490 522 HG3 ARG 72 HG1 ARG 72 -0.863 1.780 -11.964 523 HD2 ARG 72 HD2 ARG 72 -3.009 0.945 -11.835 524 HD3 ARG 72 HD1 ARG 72 -3.121 1.221 -10.096 525 HE ARG 72 HE ARG 72 -2.907 3.717 -11.190 526 HH11 ARG 72 HH11 ARG 72 -5.067 0.998 -11.640 527 HH12 ARG 72 HH12 ARG 72 -6.454 1.991 -11.967 528 HH21 ARG 72 HH21 ARG 72 -4.732 5.026 -11.687 529 HH22 ARG 72 HH22 ARG 72 -6.265 4.270 -11.999 530 H GLU 73 HN GLU 73 -1.213 -1.883 -8.809 531 HA GLU 73 HA GLU 73 -4.002 -2.125 -9.218 532 HB2 GLU 73 HB2 GLU 73 -2.152 -4.282 -8.197 533 HB3 GLU 73 HB1 GLU 73 -3.674 -4.499 -9.052 534 HG2 GLU 73 HG2 GLU 73 -1.112 -3.393 -10.176 535 HG3 GLU 73 HG1 GLU 73 -1.849 -4.951 -10.544 536 H LEU 74 HN LEU 74 -1.948 -2.514 -6.362 537 HA LEU 74 HA LEU 74 -3.879 -3.324 -4.514 538 HB2 LEU 74 HB2 LEU 74 -1.507 -3.314 -3.989 539 HB3 LEU 74 HB1 LEU 74 -1.454 -1.567 -4.122 540 HG LEU 74 HG LEU 74 -3.011 -1.434 -2.181 541 HD11 LEU 74 HD11 LEU 74 -2.475 -4.389 -2.008 542 HD12 LEU 74 HD12 LEU 74 -4.023 -3.622 -2.356 543 HD13 LEU 74 HD13 LEU 74 -3.277 -3.419 -0.771 544 HD21 LEU 74 HD21 LEU 74 -0.392 -2.844 -1.722 545 HD22 LEU 74 HD22 LEU 74 -1.332 -2.010 -0.484 546 HD23 LEU 74 HD23 LEU 74 -0.654 -1.101 -1.833 547 H LEU 75 HN LEU 75 -2.759 -0.036 -5.252 548 HA LEU 75 HA LEU 75 -4.551 1.356 -3.645 549 HB2 LEU 75 HB2 LEU 75 -2.527 2.256 -4.826 550 HB3 LEU 75 HB1 LEU 75 -3.467 2.266 -6.306 551 HG LEU 75 HG LEU 75 -5.103 3.781 -5.093 552 HD11 LEU 75 HD11 LEU 75 -4.392 3.334 -2.825 553 HD12 LEU 75 HD12 LEU 75 -4.182 5.044 -3.201 554 HD13 LEU 75 HD13 LEU 75 -2.784 3.971 -3.184 555 HD21 LEU 75 HD21 LEU 75 -3.619 4.634 -6.798 556 HD22 LEU 75 HD22 LEU 75 -2.298 4.736 -5.636 557 HD23 LEU 75 HD23 LEU 75 -3.704 5.783 -5.459 558 H ASP 76 HN ASP 76 -4.822 0.422 -7.066 559 HA ASP 76 HA ASP 76 -7.263 1.643 -7.648 560 HB2 ASP 76 HB2 ASP 76 -5.808 0.721 -9.387 561 HB3 ASP 76 HB1 ASP 76 -6.110 -0.910 -8.796 562 H LEU 77 HN LEU 77 -6.617 -1.633 -6.454 563 HA LEU 77 HA LEU 77 -9.281 -2.536 -6.475 564 HB2 LEU 77 HB2 LEU 77 -7.167 -3.908 -6.245 565 HB3 LEU 77 HB1 LEU 77 -7.110 -3.404 -4.571 566 HG LEU 77 HG LEU 77 -8.063 -5.711 -5.058 567 HD11 LEU 77 HD11 LEU 77 -8.343 -4.639 -2.894 568 HD12 LEU 77 HD12 LEU 77 -9.792 -5.542 -3.344 569 HD13 LEU 77 HD13 LEU 77 -9.766 -3.784 -3.489 570 HD21 LEU 77 HD21 LEU 77 -10.404 -4.059 -5.982 571 HD22 LEU 77 HD22 LEU 77 -10.425 -5.798 -5.695 572 HD23 LEU 77 HD23 LEU 77 -9.419 -5.130 -6.979 573 H ILE 78 HN ILE 78 -7.329 -1.014 -3.923 574 HA ILE 78 HA ILE 78 -9.375 -1.108 -1.954 575 HB ILE 78 HB ILE 78 -6.928 0.660 -2.120 576 HG12 ILE 78 HG12 ILE 78 -7.485 -1.913 -0.618 577 HG13 ILE 78 HG11 ILE 78 -6.432 -1.742 -2.018 578 HG21 ILE 78 HG21 ILE 78 -7.258 1.104 0.252 579 HG22 ILE 78 HG22 ILE 78 -8.724 0.124 0.246 580 HG23 ILE 78 HG23 ILE 78 -8.668 1.630 -0.669 581 HD11 ILE 78 HD11 ILE 78 -4.978 -0.264 -0.689 582 HD12 ILE 78 HD12 ILE 78 -5.114 -1.889 -0.021 583 HD13 ILE 78 HD13 ILE 78 -6.008 -0.555 0.716 584 H ASN 79 HN ASN 79 -8.456 1.269 -4.402 585 HA ASN 79 HA ASN 79 -10.206 3.327 -3.576 586 HB2 ASN 79 HB2 ASN 79 -8.865 2.643 -6.161 587 HB3 ASN 79 HB1 ASN 79 -10.156 3.843 -6.169 588 HD21 ASN 79 HD21 ASN 79 -7.947 3.328 -3.501 589 HD22 ASN 79 HD22 ASN 79 -7.151 4.861 -3.621 590 H GLY 80 HN GLY 80 -10.661 0.591 -5.765 591 HA2 GLY 80 HA2 GLY 80 -13.309 1.119 -6.527 592 HA3 GLY 80 HA1 GLY 80 -12.570 -0.475 -6.455 593 H ALA 81 HN ALA 81 -12.005 -0.375 -3.634 594 HA ALA 81 HA ALA 81 -14.516 -1.285 -2.636 595 HB1 ALA 81 HB1 ALA 81 -11.929 -0.798 -1.162 596 HB2 ALA 81 HB2 ALA 81 -12.399 -2.309 -1.941 597 HB3 ALA 81 HB3 ALA 81 -13.312 -1.709 -0.555 598 H LEU 82 HN LEU 82 -12.420 1.503 -1.900 599 HA LEU 82 HA LEU 82 -14.088 2.677 0.020 600 HB2 LEU 82 HB2 LEU 82 -11.871 3.603 -1.735 601 HB3 LEU 82 HB1 LEU 82 -12.840 4.820 -0.928 602 HG LEU 82 HG LEU 82 -10.678 4.090 0.192 603 HD11 LEU 82 HD11 LEU 82 -13.256 3.923 1.743 604 HD12 LEU 82 HD12 LEU 82 -12.387 5.400 1.328 605 HD13 LEU 82 HD13 LEU 82 -11.661 4.229 2.431 606 HD21 LEU 82 HD21 LEU 82 -10.819 2.114 1.626 607 HD22 LEU 82 HD22 LEU 82 -10.876 1.699 -0.087 608 HD23 LEU 82 HD23 LEU 82 -12.356 1.690 0.873 609 H ALA 83 HN ALA 83 -14.084 2.876 -3.489 610 HA ALA 83 HA ALA 83 -15.956 4.965 -3.756 611 HB1 ALA 83 HB1 ALA 83 -14.581 4.176 -5.618 612 HB2 ALA 83 HB2 ALA 83 -16.297 4.139 -6.024 613 HB3 ALA 83 HB3 ALA 83 -15.453 2.644 -5.619 614 H GLU 84 HN GLU 84 -16.378 1.429 -3.669 615 HA GLU 84 HA GLU 84 -19.260 1.685 -3.805 616 HB2 GLU 84 HB2 GLU 84 -17.480 -0.732 -3.476 617 HB3 GLU 84 HB1 GLU 84 -19.231 -0.802 -3.623 618 HG2 GLU 84 HG2 GLU 84 -17.300 0.232 -5.688 619 HG3 GLU 84 HG1 GLU 84 -18.176 -1.296 -5.741 620 H ALA 85 HN ALA 85 -17.275 2.340 -1.401 621 HA ALA 85 HA ALA 85 -18.392 0.854 0.761 622 HB1 ALA 85 HB1 ALA 85 -16.915 3.477 0.844 623 HB2 ALA 85 HB2 ALA 85 -16.150 1.889 0.842 624 HB3 ALA 85 HB3 ALA 85 -17.176 2.372 2.193 625 H ALA 86 HN ALA 86 -19.214 3.760 -0.938 626 HA ALA 86 HA ALA 86 -21.358 4.334 0.987 627 HB1 ALA 86 HB1 ALA 86 -19.869 6.217 0.528 628 HB2 ALA 86 HB2 ALA 86 -21.502 6.544 -0.060 629 HB3 ALA 86 HB3 ALA 86 -20.224 6.090 -1.191 630 H28 SXO 87 H28B SXO 87 5.423 -11.824 4.699 631 H28A SXO 87 H28A SXO 87 6.220 -12.304 6.200 632 H30 SXO 87 H30A SXO 87 3.905 -12.362 7.164 633 H30A SXO 87 H30C SXO 87 3.269 -11.966 5.567 634 H30B SXO 87 H30B SXO 87 2.676 -13.388 6.423 635 H31 SXO 87 H31A SXO 87 3.737 -13.448 3.645 636 H31A SXO 87 H31B SXO 87 3.318 -14.924 4.514 637 H31B SXO 87 H31C SXO 87 4.917 -14.752 3.791 638 H32 SXO 87 H32A SXO 87 5.191 -14.334 7.551 639 HO33 SXO 87 H33A SXO 87 6.457 -15.188 5.185 640 HN36 SXO 87 H36A SXO 87 2.699 -14.698 7.331 641 H37 SXO 87 H37A SXO 87 2.132 -17.538 6.754 642 H37A SXO 87 H37B SXO 87 1.480 -16.676 8.149 643 H38 SXO 87 H38B SXO 87 -0.199 -16.874 6.406 644 H38A SXO 87 H38A SXO 87 0.884 -16.097 5.250 645 HN41 SXO 87 H41A SXO 87 -0.575 -14.496 4.824 646 H42 SXO 87 H42A SXO 87 -2.121 -12.767 5.567 647 H42A SXO 87 H42B SXO 87 -1.060 -12.507 6.952 648 H43 SXO 87 H43B SXO 87 -0.733 -10.732 5.331 649 H43A SXO 87 H43A SXO 87 0.720 -11.739 5.406 650 H2 SXO 87 H2A SXO 87 -0.127 -11.099 0.939 651 H2A SXO 87 H2B SXO 87 1.589 -10.699 0.946 652 H3 SXO 87 H3B SXO 87 1.068 -8.400 1.540 653 H3A SXO 87 H3A SXO 87 0.241 -8.872 0.055 654 H4 SXO 87 H4A SXO 87 -0.947 -8.676 2.820 655 H4A SXO 87 H4B SXO 87 -1.794 -9.329 1.418 656 H5 SXO 87 H5B SXO 87 -1.505 -7.172 0.263 657 H5A SXO 87 H5A SXO 87 -2.444 -7.028 1.750 658 H6 SXO 87 H6A SXO 87 0.482 -6.353 1.428 659 H6A SXO 87 H6B SXO 87 -0.440 -6.227 2.926 660 H7 SXO 87 H7A SXO 87 -1.919 -4.576 1.873 661 H7A SXO 87 H7B SXO 87 -0.984 -4.693 0.375 662 H8 SXO 87 H8C SXO 87 1.000 -3.917 1.577 663 H8A SXO 87 H8A SXO 87 0.056 -3.786 3.062 664 H8B SXO 87 H8B SXO 87 -0.314 -2.745 1.683 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -14.616 15.886 4.809 2 H2 MET 1 HT2 MET 1 -14.128 15.755 3.191 3 H3 MET 1 HT3 MET 1 -13.535 14.666 4.344 4 HA MET 1 HA MET 1 -15.759 13.793 4.702 5 HB2 MET 1 HB2 MET 1 -16.489 15.613 2.391 6 HB3 MET 1 HB1 MET 1 -17.545 14.404 3.108 7 HG2 MET 1 HG2 MET 1 -16.453 16.857 4.468 8 HG3 MET 1 HG1 MET 1 -18.106 16.616 3.902 9 HE1 MET 1 HE1 MET 1 -19.798 14.885 4.956 10 HE2 MET 1 HE2 MET 1 -19.407 13.819 6.307 11 HE3 MET 1 HE3 MET 1 -18.649 13.566 4.735 12 H ALA 2 HN ALA 2 -15.299 11.809 4.099 13 HA ALA 2 HA ALA 2 -14.929 9.960 2.844 14 HB1 ALA 2 HB1 ALA 2 -15.598 9.920 0.513 15 HB2 ALA 2 HB2 ALA 2 -15.670 11.682 0.485 16 HB3 ALA 2 HB3 ALA 2 -16.801 10.769 1.484 17 H THR 3 HN THR 3 -12.745 9.974 3.410 18 HA THR 3 HA THR 3 -10.859 11.225 1.574 19 HB THR 3 HB THR 3 -10.264 9.686 4.080 20 HG1 THR 3 HG1 THR 3 -11.465 12.065 3.821 21 HG21 THR 3 HG21 THR 3 -8.155 10.926 4.053 22 HG22 THR 3 HG22 THR 3 -8.651 11.743 2.570 23 HG23 THR 3 HG23 THR 3 -8.357 10.004 2.563 24 H LEU 4 HN LEU 4 -10.615 10.017 -0.230 25 HA LEU 4 HA LEU 4 -10.418 7.131 -0.112 26 HB2 LEU 4 HB2 LEU 4 -10.003 9.053 -2.404 27 HB3 LEU 4 HB1 LEU 4 -10.012 7.307 -2.548 28 HG LEU 4 HG LEU 4 -12.348 9.047 -1.754 29 HD11 LEU 4 HD11 LEU 4 -11.870 9.148 -4.120 30 HD12 LEU 4 HD12 LEU 4 -13.334 8.205 -3.837 31 HD13 LEU 4 HD13 LEU 4 -11.818 7.386 -4.211 32 HD21 LEU 4 HD21 LEU 4 -13.660 6.975 -1.783 33 HD22 LEU 4 HD22 LEU 4 -12.432 6.963 -0.519 34 HD23 LEU 4 HD23 LEU 4 -12.177 6.046 -2.005 35 H LEU 5 HN LEU 5 -8.525 6.040 -1.160 36 HA LEU 5 HA LEU 5 -6.072 7.017 0.043 37 HB2 LEU 5 HB2 LEU 5 -7.019 4.565 -0.147 38 HB3 LEU 5 HB1 LEU 5 -6.266 4.602 -1.727 39 HG LEU 5 HG LEU 5 -4.777 5.095 0.854 40 HD11 LEU 5 HD11 LEU 5 -3.930 2.821 0.593 41 HD12 LEU 5 HD12 LEU 5 -4.989 2.583 -0.796 42 HD13 LEU 5 HD13 LEU 5 -5.682 2.836 0.807 43 HD21 LEU 5 HD21 LEU 5 -3.724 6.067 -1.125 44 HD22 LEU 5 HD22 LEU 5 -3.816 4.510 -1.945 45 HD23 LEU 5 HD23 LEU 5 -2.796 4.696 -0.518 46 H THR 6 HN THR 6 -4.617 8.263 -1.066 47 HA THR 6 HA THR 6 -4.781 8.175 -4.010 48 HB THR 6 HB THR 6 -4.108 10.531 -4.086 49 HG1 THR 6 HG1 THR 6 -4.348 10.396 -1.231 50 HG21 THR 6 HG21 THR 6 -6.555 9.936 -2.426 51 HG22 THR 6 HG22 THR 6 -6.464 10.090 -4.181 52 HG23 THR 6 HG23 THR 6 -6.212 11.504 -3.158 53 H THR 7 HN THR 7 -2.681 9.576 -4.792 54 HA THR 7 HA THR 7 -0.535 7.822 -4.729 55 HB THR 7 HB THR 7 0.728 9.991 -5.493 56 HG1 THR 7 HG1 THR 7 -0.549 11.664 -5.060 57 HG21 THR 7 HG21 THR 7 0.029 8.197 -7.000 58 HG22 THR 7 HG22 THR 7 -0.259 9.777 -7.727 59 HG23 THR 7 HG23 THR 7 -1.604 8.862 -7.046 60 H ASP 8 HN ASP 8 -0.807 10.981 -3.171 61 HA ASP 8 HA ASP 8 1.617 10.975 -1.804 62 HB2 ASP 8 HB2 ASP 8 -0.967 12.347 -1.019 63 HB3 ASP 8 HB1 ASP 8 0.644 12.787 -0.468 64 H ASP 9 HN ASP 9 -1.561 9.808 -0.867 65 HA ASP 9 HA ASP 9 -1.001 9.192 1.826 66 HB2 ASP 9 HB2 ASP 9 -3.017 8.069 -0.122 67 HB3 ASP 9 HB1 ASP 9 -2.938 7.569 1.563 68 H LEU 10 HN LEU 10 -0.825 7.270 -1.131 69 HA LEU 10 HA LEU 10 -0.251 4.772 -0.063 70 HB2 LEU 10 HB2 LEU 10 -0.662 5.605 -2.521 71 HB3 LEU 10 HB1 LEU 10 1.080 5.741 -2.570 72 HG LEU 10 HG LEU 10 0.230 3.641 -3.561 73 HD11 LEU 10 HD11 LEU 10 2.493 3.701 -2.684 74 HD12 LEU 10 HD12 LEU 10 1.757 2.115 -2.444 75 HD13 LEU 10 HD13 LEU 10 1.895 3.236 -1.090 76 HD21 LEU 10 HD21 LEU 10 -0.650 3.032 -0.744 77 HD22 LEU 10 HD22 LEU 10 -0.623 1.879 -2.079 78 HD23 LEU 10 HD23 LEU 10 -1.698 3.274 -2.142 79 H ARG 11 HN ARG 11 1.962 7.323 -1.125 80 HA ARG 11 HA ARG 11 4.404 6.152 -0.545 81 HB2 ARG 11 HB2 ARG 11 4.173 8.289 -1.723 82 HB3 ARG 11 HB1 ARG 11 3.590 9.054 -0.253 83 HG2 ARG 11 HG2 ARG 11 5.816 8.438 0.785 84 HG3 ARG 11 HG1 ARG 11 6.356 8.056 -0.850 85 HD2 ARG 11 HD2 ARG 11 5.296 10.713 0.105 86 HD3 ARG 11 HD1 ARG 11 6.982 10.331 -0.220 87 HE ARG 11 HE ARG 11 4.997 10.155 -2.378 88 HH11 ARG 11 HH11 ARG 11 7.832 11.639 -0.984 89 HH12 ARG 11 HH12 ARG 11 8.280 12.489 -2.436 90 HH21 ARG 11 HH21 ARG 11 5.545 11.290 -4.304 91 HH22 ARG 11 HH22 ARG 11 6.974 12.273 -4.331 92 H ARG 12 HN ARG 12 2.221 7.906 1.608 93 HA ARG 12 HA ARG 12 3.952 8.098 3.821 94 HB2 ARG 12 HB2 ARG 12 0.945 8.109 3.645 95 HB3 ARG 12 HB1 ARG 12 1.831 8.415 5.130 96 HG2 ARG 12 HG2 ARG 12 2.903 10.344 4.099 97 HG3 ARG 12 HG1 ARG 12 2.016 10.038 2.605 98 HD2 ARG 12 HD2 ARG 12 0.941 11.786 3.917 99 HD3 ARG 12 HD1 ARG 12 -0.095 10.365 3.792 100 HE ARG 12 HE ARG 12 0.993 9.848 6.124 101 HH11 ARG 12 HH11 ARG 12 -0.013 12.961 4.894 102 HH12 ARG 12 HH12 ARG 12 -0.373 13.609 6.458 103 HH21 ARG 12 HH21 ARG 12 0.498 10.670 8.171 104 HH22 ARG 12 HH22 ARG 12 -0.088 12.305 8.338 105 H ALA 13 HN ALA 13 1.638 5.616 2.859 106 HA ALA 13 HA ALA 13 1.506 4.254 5.303 107 HB1 ALA 13 HB1 ALA 13 0.681 2.349 3.992 108 HB2 ALA 13 HB2 ALA 13 1.176 3.168 2.511 109 HB3 ALA 13 HB3 ALA 13 -0.094 3.860 3.519 110 H LEU 14 HN LEU 14 3.726 3.976 2.595 111 HA LEU 14 HA LEU 14 5.126 1.708 3.514 112 HB2 LEU 14 HB2 LEU 14 5.781 3.920 1.605 113 HB3 LEU 14 HB1 LEU 14 6.996 2.739 2.033 114 HG LEU 14 HG LEU 14 6.070 2.005 -0.003 115 HD11 LEU 14 HD11 LEU 14 6.378 0.221 1.620 116 HD12 LEU 14 HD12 LEU 14 5.011 -0.120 0.558 117 HD13 LEU 14 HD13 LEU 14 4.729 0.451 2.202 118 HD21 LEU 14 HD21 LEU 14 3.338 2.383 1.215 119 HD22 LEU 14 HD22 LEU 14 3.672 1.713 -0.381 120 HD23 LEU 14 HD23 LEU 14 4.073 3.394 -0.030 121 H VAL 15 HN VAL 15 5.770 5.178 3.857 122 HA VAL 15 HA VAL 15 8.173 4.865 5.332 123 HB VAL 15 HB VAL 15 6.294 7.231 5.254 124 HG11 VAL 15 HG11 VAL 15 8.233 8.542 5.961 125 HG12 VAL 15 HG12 VAL 15 9.191 7.066 6.085 126 HG13 VAL 15 HG13 VAL 15 7.817 7.319 7.162 127 HG21 VAL 15 HG21 VAL 15 8.734 6.598 3.598 128 HG22 VAL 15 HG22 VAL 15 7.852 8.124 3.565 129 HG23 VAL 15 HG23 VAL 15 7.067 6.638 3.030 130 H GLU 16 HN GLU 16 4.838 5.605 6.346 131 HA GLU 16 HA GLU 16 5.383 5.863 9.091 132 HB2 GLU 16 HB2 GLU 16 2.836 5.126 7.648 133 HB3 GLU 16 HB1 GLU 16 2.922 5.502 9.363 134 HG2 GLU 16 HG2 GLU 16 3.650 7.755 8.870 135 HG3 GLU 16 HG1 GLU 16 3.708 7.386 7.146 136 H SER 17 HN SER 17 4.970 3.069 7.084 137 HA SER 17 HA SER 17 4.474 1.275 9.288 138 HB2 SER 17 HB2 SER 17 3.534 0.793 7.073 139 HB3 SER 17 HB1 SER 17 5.157 0.701 6.393 140 HG SER 17 HG SER 17 4.746 -1.353 6.831 141 H ALA 18 HN ALA 18 7.125 1.564 6.907 142 HA ALA 18 HA ALA 18 8.799 -0.253 8.327 143 HB1 ALA 18 HB1 ALA 18 9.538 1.681 6.133 144 HB2 ALA 18 HB2 ALA 18 8.897 0.058 5.884 145 HB3 ALA 18 HB3 ALA 18 10.470 0.276 6.651 146 H GLY 19 HN GLY 19 9.118 3.262 7.724 147 HA2 GLY 19 HA2 GLY 19 9.659 4.714 9.606 148 HA3 GLY 19 HA1 GLY 19 10.644 3.407 10.246 149 H GLU 20 HN GLU 20 10.956 6.322 9.098 150 HA GLU 20 HA GLU 20 12.664 7.562 8.296 151 HB2 GLU 20 HB2 GLU 20 14.242 4.993 8.495 152 HB3 GLU 20 HB1 GLU 20 14.930 6.583 8.195 153 HG2 GLU 20 HG2 GLU 20 14.054 7.342 10.365 154 HG3 GLU 20 HG1 GLU 20 13.465 5.707 10.672 155 H THR 21 HN THR 21 14.476 7.499 6.474 156 HA THR 21 HA THR 21 13.349 6.169 4.110 157 HB THR 21 HB THR 21 14.173 8.308 2.872 158 HG1 THR 21 HG1 THR 21 14.150 10.176 4.118 159 HG21 THR 21 HG21 THR 21 11.688 8.306 4.586 160 HG22 THR 21 HG22 THR 21 11.845 7.667 2.949 161 HG23 THR 21 HG23 THR 21 11.985 9.401 3.234 162 H ASP 22 HN ASP 22 14.962 4.573 4.287 163 HA ASP 22 HA ASP 22 17.700 5.058 4.630 164 HB2 ASP 22 HB2 ASP 22 16.639 2.860 4.976 165 HB3 ASP 22 HB1 ASP 22 16.389 2.714 3.238 166 H GLY 23 HN GLY 23 15.954 4.271 1.617 167 HA2 GLY 23 HA2 GLY 23 16.794 6.128 -0.080 168 HA3 GLY 23 HA1 GLY 23 18.258 5.173 0.080 169 H THR 24 HN THR 24 15.762 5.680 -1.885 170 HA THR 24 HA THR 24 16.240 3.533 -3.566 171 HB THR 24 HB THR 24 15.139 2.174 -1.777 172 HG1 THR 24 HG1 THR 24 14.280 0.933 -3.273 173 HG21 THR 24 HG21 THR 24 13.546 3.790 -0.927 174 HG22 THR 24 HG22 THR 24 12.694 2.355 -1.496 175 HG23 THR 24 HG23 THR 24 12.708 3.819 -2.479 176 H ASP 25 HN ASP 25 13.841 3.231 -4.893 177 HA ASP 25 HA ASP 25 13.321 5.950 -5.810 178 HB2 ASP 25 HB2 ASP 25 12.863 3.224 -6.959 179 HB3 ASP 25 HB1 ASP 25 11.840 4.549 -7.509 180 H LEU 26 HN LEU 26 11.989 6.889 -4.340 181 HA LEU 26 HA LEU 26 9.272 5.858 -4.178 182 HB2 LEU 26 HB2 LEU 26 10.533 4.839 -2.295 183 HB3 LEU 26 HB1 LEU 26 10.924 6.446 -1.718 184 HG LEU 26 HG LEU 26 8.487 6.868 -1.416 185 HD11 LEU 26 HD11 LEU 26 6.977 4.939 -1.355 186 HD12 LEU 26 HD12 LEU 26 8.262 3.926 -2.018 187 HD13 LEU 26 HD13 LEU 26 7.599 5.253 -2.974 188 HD21 LEU 26 HD21 LEU 26 9.632 4.527 0.100 189 HD22 LEU 26 HD22 LEU 26 8.284 5.536 0.623 190 HD23 LEU 26 HD23 LEU 26 9.897 6.233 0.462 191 H SER 27 HN SER 27 11.189 8.340 -4.881 192 HA SER 27 HA SER 27 9.957 10.448 -3.341 193 HB2 SER 27 HB2 SER 27 12.376 10.441 -4.110 194 HB3 SER 27 HB1 SER 27 11.779 10.747 -5.738 195 HG SER 27 HG SER 27 12.195 12.723 -4.875 196 H GLY 28 HN GLY 28 8.903 8.656 -5.867 197 HA2 GLY 28 HA2 GLY 28 6.651 10.163 -6.394 198 HA3 GLY 28 HA1 GLY 28 7.832 10.639 -7.606 199 H ASP 29 HN ASP 29 9.104 8.299 -8.139 200 HA ASP 29 HA ASP 29 7.063 6.832 -9.603 201 HB2 ASP 29 HB2 ASP 29 10.002 6.166 -9.617 202 HB3 ASP 29 HB1 ASP 29 8.818 5.960 -10.905 203 H PHE 30 HN PHE 30 5.985 5.467 -8.193 204 HA PHE 30 HA PHE 30 7.585 3.283 -7.131 205 HB2 PHE 30 HB2 PHE 30 6.468 3.442 -4.879 206 HB3 PHE 30 HB1 PHE 30 7.652 4.693 -5.225 207 HD1 PHE 30 HD1 PHE 30 4.054 3.969 -4.930 208 HD2 PHE 30 HD2 PHE 30 7.034 6.987 -5.288 209 HE1 PHE 30 HE1 PHE 30 2.374 5.690 -4.402 210 HE2 PHE 30 HE2 PHE 30 5.365 8.707 -4.749 211 HZ PHE 30 HZ PHE 30 3.063 8.069 -4.226 212 H LEU 31 HN LEU 31 4.447 4.618 -7.899 213 HA LEU 31 HA LEU 31 2.791 2.512 -7.180 214 HB2 LEU 31 HB2 LEU 31 2.561 4.413 -9.500 215 HB3 LEU 31 HB1 LEU 31 1.297 3.299 -9.029 216 HG LEU 31 HG LEU 31 2.369 5.575 -7.368 217 HD11 LEU 31 HD11 LEU 31 0.962 6.319 -9.196 218 HD12 LEU 31 HD12 LEU 31 0.114 6.492 -7.659 219 HD13 LEU 31 HD13 LEU 31 -0.280 5.155 -8.736 220 HD21 LEU 31 HD21 LEU 31 1.769 3.801 -5.886 221 HD22 LEU 31 HD22 LEU 31 0.272 3.501 -6.767 222 HD23 LEU 31 HD23 LEU 31 0.474 4.997 -5.854 223 H ASP 32 HN ASP 32 5.031 2.685 -9.819 224 HA ASP 32 HA ASP 32 3.709 0.561 -11.316 225 HB2 ASP 32 HB2 ASP 32 6.090 2.323 -11.876 226 HB3 ASP 32 HB1 ASP 32 5.650 0.986 -12.926 227 H LEU 33 HN LEU 33 6.202 0.906 -9.011 228 HA LEU 33 HA LEU 33 7.694 -1.416 -9.938 229 HB2 LEU 33 HB2 LEU 33 8.128 0.497 -7.643 230 HB3 LEU 33 HB1 LEU 33 9.125 -0.916 -7.906 231 HG LEU 33 HG LEU 33 10.332 0.906 -8.768 232 HD11 LEU 33 HD11 LEU 33 10.417 -1.041 -10.189 233 HD12 LEU 33 HD12 LEU 33 10.472 0.422 -11.173 234 HD13 LEU 33 HD13 LEU 33 8.977 -0.506 -11.055 235 HD21 LEU 33 HD21 LEU 33 9.429 2.471 -10.428 236 HD22 LEU 33 HD22 LEU 33 8.569 2.552 -8.890 237 HD23 LEU 33 HD23 LEU 33 7.843 1.713 -10.260 238 H ARG 34 HN ARG 34 7.794 -3.374 -8.856 239 HA ARG 34 HA ARG 34 5.545 -4.076 -7.254 240 HB2 ARG 34 HB2 ARG 34 8.103 -5.632 -7.680 241 HB3 ARG 34 HB1 ARG 34 6.573 -6.281 -7.109 242 HG2 ARG 34 HG2 ARG 34 5.558 -5.762 -9.278 243 HG3 ARG 34 HG1 ARG 34 7.104 -5.127 -9.843 244 HD2 ARG 34 HD2 ARG 34 6.967 -7.327 -10.679 245 HD3 ARG 34 HD1 ARG 34 8.083 -7.390 -9.318 246 HE ARG 34 HE ARG 34 5.424 -8.006 -8.513 247 HH11 ARG 34 HH11 ARG 34 8.255 -9.352 -10.058 248 HH12 ARG 34 HH12 ARG 34 7.815 -10.997 -9.735 249 HH21 ARG 34 HH21 ARG 34 4.821 -10.153 -8.081 250 HH22 ARG 34 HH22 ARG 34 5.848 -11.457 -8.621 251 H PHE 35 HN PHE 35 5.468 -4.552 -5.044 252 HA PHE 35 HA PHE 35 6.886 -2.941 -3.295 253 HB2 PHE 35 HB2 PHE 35 5.524 -5.580 -2.740 254 HB3 PHE 35 HB1 PHE 35 6.074 -4.469 -1.494 255 HD1 PHE 35 HD2 PHE 35 5.158 -2.016 -1.722 256 HD2 PHE 35 HD1 PHE 35 3.354 -5.455 -3.461 257 HE1 PHE 35 HE2 PHE 35 3.013 -0.814 -1.861 258 HE2 PHE 35 HE1 PHE 35 1.206 -4.265 -3.609 259 HZ PHE 35 HZ PHE 35 1.026 -1.944 -2.744 260 H GLU 36 HN GLU 36 7.566 -6.268 -4.236 261 HA GLU 36 HA GLU 36 9.702 -6.791 -2.511 262 HB2 GLU 36 HB2 GLU 36 9.417 -7.786 -5.348 263 HB3 GLU 36 HB1 GLU 36 10.312 -8.554 -4.044 264 HG2 GLU 36 HG2 GLU 36 8.200 -8.921 -2.844 265 HG3 GLU 36 HG1 GLU 36 7.329 -8.213 -4.204 266 H ASP 37 HN ASP 37 9.524 -4.918 -5.435 267 HA ASP 37 HA ASP 37 12.366 -5.121 -5.968 268 HB2 ASP 37 HB2 ASP 37 10.375 -5.019 -7.679 269 HB3 ASP 37 HB1 ASP 37 10.516 -3.280 -7.446 270 H ILE 38 HN ILE 38 10.123 -2.939 -4.479 271 HA ILE 38 HA ILE 38 12.109 -0.821 -4.371 272 HB ILE 38 HB ILE 38 10.370 0.414 -3.029 273 HG12 ILE 38 HG12 ILE 38 8.589 -1.853 -3.948 274 HG13 ILE 38 HG11 ILE 38 9.124 -1.615 -2.291 275 HG21 ILE 38 HG21 ILE 38 8.985 0.912 -5.001 276 HG22 ILE 38 HG22 ILE 38 9.644 -0.513 -5.805 277 HG23 ILE 38 HG23 ILE 38 10.703 0.835 -5.391 278 HD11 ILE 38 HD11 ILE 38 6.864 -0.811 -2.586 279 HD12 ILE 38 HD12 ILE 38 7.390 0.257 -3.887 280 HD13 ILE 38 HD13 ILE 38 7.945 0.538 -2.237 281 H GLY 39 HN GLY 39 11.860 -3.613 -2.838 282 HA2 GLY 39 HA2 GLY 39 13.378 -4.249 -1.183 283 HA3 GLY 39 HA1 GLY 39 13.567 -2.564 -0.745 284 H TYR 40 HN TYR 40 10.351 -3.949 -0.911 285 HA TYR 40 HA TYR 40 10.282 -3.792 2.018 286 HB2 TYR 40 HB2 TYR 40 8.140 -3.439 -0.059 287 HB3 TYR 40 HB1 TYR 40 7.731 -3.791 1.619 288 HD1 TYR 40 HD1 TYR 40 9.228 -1.319 -0.655 289 HD2 TYR 40 HD2 TYR 40 8.047 -2.154 3.343 290 HE1 TYR 40 HE1 TYR 40 9.491 1.058 -0.091 291 HE2 TYR 40 HE2 TYR 40 8.300 0.217 3.921 292 HH TYR 40 HH TYR 40 8.677 2.651 1.588 293 H ASP 41 HN ASP 41 10.407 -5.576 3.062 294 HA ASP 41 HA ASP 41 10.115 -8.127 1.770 295 HB2 ASP 41 HB2 ASP 41 10.675 -7.561 4.687 296 HB3 ASP 41 HB1 ASP 41 11.005 -9.052 3.809 297 H SER 42 HN SER 42 9.131 -9.881 3.339 298 HA SER 42 HA SER 42 6.393 -9.801 3.169 299 HB2 SER 42 HB2 SER 42 6.438 -11.716 4.775 300 HB3 SER 42 HB1 SER 42 7.629 -11.874 3.479 301 H LEU 43 HN LEU 43 8.240 -9.507 6.185 302 HA LEU 43 HA LEU 43 6.183 -8.869 7.908 303 HB2 LEU 43 HB2 LEU 43 8.432 -9.425 8.643 304 HB3 LEU 43 HB1 LEU 43 9.052 -7.940 7.952 305 HG LEU 43 HG LEU 43 7.641 -6.670 9.576 306 HD11 LEU 43 HD11 LEU 43 7.201 -9.403 10.762 307 HD12 LEU 43 HD12 LEU 43 5.971 -8.352 10.060 308 HD13 LEU 43 HD13 LEU 43 6.798 -7.873 11.543 309 HD21 LEU 43 HD21 LEU 43 9.674 -8.584 10.709 310 HD22 LEU 43 HD22 LEU 43 9.107 -7.111 11.494 311 HD23 LEU 43 HD23 LEU 43 10.002 -7.011 9.979 312 H ALA 44 HN ALA 44 8.256 -6.616 6.103 313 HA ALA 44 HA ALA 44 7.186 -4.259 7.194 314 HB1 ALA 44 HB1 ALA 44 9.353 -4.359 6.061 315 HB2 ALA 44 HB2 ALA 44 8.314 -3.114 5.370 316 HB3 ALA 44 HB3 ALA 44 8.537 -4.645 4.525 317 H LEU 45 HN LEU 45 6.337 -6.117 4.316 318 HA LEU 45 HA LEU 45 4.580 -4.178 3.237 319 HB2 LEU 45 HB2 LEU 45 5.629 -5.961 1.915 320 HB3 LEU 45 HB1 LEU 45 4.670 -7.154 2.765 321 HG LEU 45 HG LEU 45 2.621 -6.242 1.796 322 HD11 LEU 45 HD11 LEU 45 4.453 -4.308 0.382 323 HD12 LEU 45 HD12 LEU 45 3.295 -3.905 1.647 324 HD13 LEU 45 HD13 LEU 45 2.723 -4.494 0.084 325 HD21 LEU 45 HD21 LEU 45 4.772 -6.779 -0.254 326 HD22 LEU 45 HD22 LEU 45 3.036 -6.869 -0.539 327 HD23 LEU 45 HD23 LEU 45 3.802 -7.995 0.581 328 H MET 46 HN MET 46 4.029 -7.015 5.303 329 HA MET 46 HA MET 46 1.197 -6.786 5.148 330 HB2 MET 46 HB2 MET 46 1.105 -8.490 6.886 331 HB3 MET 46 HB1 MET 46 2.261 -8.931 5.641 332 HG2 MET 46 HG2 MET 46 3.422 -9.498 7.511 333 HG3 MET 46 HG1 MET 46 3.977 -7.840 7.290 334 HE1 MET 46 HE1 MET 46 1.483 -10.176 9.283 335 HE2 MET 46 HE2 MET 46 0.441 -8.952 8.555 336 HE3 MET 46 HE3 MET 46 0.667 -8.985 10.302 337 H GLU 47 HN GLU 47 3.613 -5.513 7.370 338 HA GLU 47 HA GLU 47 1.810 -4.404 9.237 339 HB2 GLU 47 HB2 GLU 47 4.611 -3.674 8.413 340 HB3 GLU 47 HB1 GLU 47 3.744 -2.790 9.659 341 HG2 GLU 47 HG2 GLU 47 4.264 -5.752 9.748 342 HG3 GLU 47 HG1 GLU 47 5.291 -4.540 10.511 343 H THR 48 HN THR 48 3.096 -3.264 6.179 344 HA THR 48 HA THR 48 2.160 -0.625 6.264 345 HB THR 48 HB THR 48 2.482 -2.368 3.813 346 HG1 THR 48 HG1 THR 48 4.434 -2.345 4.900 347 HG21 THR 48 HG21 THR 48 2.559 0.634 4.153 348 HG22 THR 48 HG22 THR 48 1.260 -0.285 3.391 349 HG23 THR 48 HG23 THR 48 2.861 -0.240 2.650 350 H ALA 49 HN ALA 49 0.628 -3.630 5.204 351 HA ALA 49 HA ALA 49 -1.716 -2.592 4.106 352 HB1 ALA 49 HB1 ALA 49 -1.430 -5.170 5.651 353 HB2 ALA 49 HB2 ALA 49 -1.047 -4.954 3.942 354 HB3 ALA 49 HB3 ALA 49 -2.709 -4.767 4.502 355 H ALA 50 HN ALA 50 -1.000 -3.501 7.454 356 HA ALA 50 HA ALA 50 -3.563 -3.048 8.513 357 HB1 ALA 50 HB1 ALA 50 -0.880 -2.920 9.893 358 HB2 ALA 50 HB2 ALA 50 -1.877 -4.360 9.683 359 HB3 ALA 50 HB3 ALA 50 -2.447 -3.034 10.695 360 H ARG 51 HN ARG 51 -0.867 -0.938 7.851 361 HA ARG 51 HA ARG 51 -1.625 1.325 9.297 362 HB2 ARG 51 HB2 ARG 51 -0.141 0.991 6.701 363 HB3 ARG 51 HB1 ARG 51 -0.441 2.571 7.392 364 HG2 ARG 51 HG2 ARG 51 1.103 0.340 8.680 365 HG3 ARG 51 HG1 ARG 51 1.779 1.796 7.950 366 HD2 ARG 51 HD2 ARG 51 -0.028 1.675 10.364 367 HD3 ARG 51 HD1 ARG 51 1.702 2.009 10.372 368 HE ARG 51 HE ARG 51 0.878 3.999 8.842 369 HH11 ARG 51 HH11 ARG 51 -0.527 2.750 11.782 370 HH12 ARG 51 HH12 ARG 51 -1.227 4.261 12.260 371 HH21 ARG 51 HH21 ARG 51 -0.008 6.019 9.448 372 HH22 ARG 51 HH22 ARG 51 -0.947 6.133 10.918 373 H LEU 52 HN LEU 52 -2.376 0.491 5.906 374 HA LEU 52 HA LEU 52 -3.983 2.770 5.443 375 HB2 LEU 52 HB2 LEU 52 -3.991 0.104 4.030 376 HB3 LEU 52 HB1 LEU 52 -4.768 1.560 3.442 377 HG LEU 52 HG LEU 52 -1.798 1.279 3.891 378 HD11 LEU 52 HD11 LEU 52 -3.406 1.204 1.346 379 HD12 LEU 52 HD12 LEU 52 -2.551 -0.156 2.077 380 HD13 LEU 52 HD13 LEU 52 -1.646 1.225 1.450 381 HD21 LEU 52 HD21 LEU 52 -2.664 3.571 4.117 382 HD22 LEU 52 HD22 LEU 52 -3.413 3.431 2.526 383 HD23 LEU 52 HD23 LEU 52 -1.657 3.382 2.680 384 H GLU 53 HN GLU 53 -4.772 -0.543 6.397 385 HA GLU 53 HA GLU 53 -7.545 -0.366 6.197 386 HB2 GLU 53 HB2 GLU 53 -5.888 -1.979 8.135 387 HB3 GLU 53 HB1 GLU 53 -7.598 -2.232 7.824 388 HG2 GLU 53 HG2 GLU 53 -7.141 -2.825 5.539 389 HG3 GLU 53 HG1 GLU 53 -5.431 -2.455 5.754 390 H SER 54 HN SER 54 -5.515 0.072 9.085 391 HA SER 54 HA SER 54 -7.662 0.829 10.761 392 HB2 SER 54 HB2 SER 54 -4.721 1.418 11.152 393 HB3 SER 54 HB1 SER 54 -5.966 1.335 12.402 394 HG SER 54 HG SER 54 -4.805 -0.747 10.896 395 H ARG 55 HN ARG 55 -5.651 2.594 8.570 396 HA ARG 55 HA ARG 55 -5.913 5.156 9.787 397 HB2 ARG 55 HB2 ARG 55 -4.069 4.468 8.228 398 HB3 ARG 55 HB1 ARG 55 -5.231 4.536 6.909 399 HG2 ARG 55 HG2 ARG 55 -5.586 6.906 7.335 400 HG3 ARG 55 HG1 ARG 55 -4.429 6.844 8.667 401 HD2 ARG 55 HD2 ARG 55 -2.654 6.240 7.134 402 HD3 ARG 55 HD1 ARG 55 -3.798 6.189 5.793 403 HE ARG 55 HE ARG 55 -3.268 8.677 7.292 404 HH11 ARG 55 HH11 ARG 55 -3.438 6.927 4.266 405 HH12 ARG 55 HH12 ARG 55 -3.311 8.359 3.294 406 HH21 ARG 55 HH21 ARG 55 -3.116 10.560 5.980 407 HH22 ARG 55 HH22 ARG 55 -3.143 10.395 4.245 408 H TYR 56 HN TYR 56 -7.526 3.585 7.027 409 HA TYR 56 HA TYR 56 -9.290 5.898 6.746 410 HB2 TYR 56 HB2 TYR 56 -8.995 3.401 5.069 411 HB3 TYR 56 HB1 TYR 56 -10.114 4.710 4.718 412 HD1 TYR 56 HD2 TYR 56 -9.277 6.895 3.976 413 HD2 TYR 56 HD1 TYR 56 -6.649 3.610 4.615 414 HE1 TYR 56 HE2 TYR 56 -7.535 8.042 2.679 415 HE2 TYR 56 HE1 TYR 56 -4.903 4.751 3.318 416 HH TYR 56 HH TYR 56 -5.211 8.048 2.353 417 H GLY 57 HN GLY 57 -9.277 2.762 8.113 418 HA2 GLY 57 HA2 GLY 57 -10.966 1.828 9.446 419 HA3 GLY 57 HA1 GLY 57 -12.107 2.990 8.777 420 H VAL 58 HN VAL 58 -9.926 0.638 7.261 421 HA VAL 58 HA VAL 58 -12.274 -0.580 5.963 422 HB VAL 58 HB VAL 58 -11.025 -0.917 3.920 423 HG11 VAL 58 HG11 VAL 58 -12.213 1.187 4.102 424 HG12 VAL 58 HG12 VAL 58 -10.732 1.392 3.167 425 HG13 VAL 58 HG13 VAL 58 -10.798 1.940 4.842 426 HG21 VAL 58 HG21 VAL 58 -8.728 0.471 5.295 427 HG22 VAL 58 HG22 VAL 58 -8.785 0.036 3.586 428 HG23 VAL 58 HG23 VAL 58 -8.796 -1.226 4.818 429 H SER 59 HN SER 59 -11.207 -2.692 4.741 430 HA SER 59 HA SER 59 -9.260 -4.036 6.390 431 HB2 SER 59 HB2 SER 59 -12.046 -5.152 5.977 432 HB3 SER 59 HB1 SER 59 -10.696 -6.023 6.700 433 HG SER 59 HG SER 59 -10.935 -3.687 7.949 434 H ILE 60 HN ILE 60 -7.987 -5.320 5.166 435 HA ILE 60 HA ILE 60 -8.683 -5.519 2.329 436 HB ILE 60 HB ILE 60 -6.059 -6.101 3.717 437 HG12 ILE 60 HG12 ILE 60 -6.919 -3.742 2.025 438 HG13 ILE 60 HG11 ILE 60 -6.729 -3.722 3.773 439 HG21 ILE 60 HG21 ILE 60 -6.779 -6.004 0.791 440 HG22 ILE 60 HG22 ILE 60 -6.223 -7.409 1.702 441 HG23 ILE 60 HG23 ILE 60 -5.130 -6.054 1.409 442 HD11 ILE 60 HD11 ILE 60 -4.822 -2.706 2.724 443 HD12 ILE 60 HD12 ILE 60 -4.557 -4.145 1.739 444 HD13 ILE 60 HD13 ILE 60 -4.336 -4.222 3.488 445 HA PRO 61 HA PRO 61 -10.099 -9.710 2.846 446 HB2 PRO 61 HB2 PRO 61 -9.391 -9.840 -0.036 447 HB3 PRO 61 HB1 PRO 61 -10.908 -10.250 0.771 448 HG2 PRO 61 HG2 PRO 61 -10.686 -8.007 -0.653 449 HG3 PRO 61 HG1 PRO 61 -11.616 -8.045 0.858 450 HD2 PRO 61 HD2 PRO 61 -8.885 -6.941 0.333 451 HD3 PRO 61 HD1 PRO 61 -10.167 -6.316 1.388 452 H ASP 62 HN ASP 62 -9.076 -11.534 3.347 453 HA ASP 62 HA ASP 62 -6.345 -11.539 3.745 454 HB2 ASP 62 HB2 ASP 62 -8.233 -13.893 3.584 455 HB3 ASP 62 HB1 ASP 62 -6.598 -13.970 4.234 456 H ASP 63 HN ASP 63 -8.128 -13.369 1.253 457 HA ASP 63 HA ASP 63 -5.672 -14.407 0.177 458 HB2 ASP 63 HB2 ASP 63 -8.526 -14.626 -0.791 459 HB3 ASP 63 HB1 ASP 63 -7.162 -15.449 -1.540 460 H VAL 64 HN VAL 64 -7.851 -11.808 -0.600 461 HA VAL 64 HA VAL 64 -6.839 -11.386 -3.241 462 HB VAL 64 HB VAL 64 -8.398 -9.429 -1.532 463 HG11 VAL 64 HG11 VAL 64 -7.330 -8.405 -3.475 464 HG12 VAL 64 HG12 VAL 64 -9.081 -8.457 -3.671 465 HG13 VAL 64 HG13 VAL 64 -8.061 -9.615 -4.526 466 HG21 VAL 64 HG21 VAL 64 -9.388 -11.550 -3.440 467 HG22 VAL 64 HG22 VAL 64 -10.391 -10.285 -2.733 468 HG23 VAL 64 HG23 VAL 64 -9.643 -11.497 -1.694 469 H ALA 65 HN ALA 65 -5.810 -10.545 -0.091 470 HA ALA 65 HA ALA 65 -4.368 -8.195 -0.589 471 HB1 ALA 65 HB1 ALA 65 -3.133 -8.721 1.446 472 HB2 ALA 65 HB2 ALA 65 -3.762 -10.369 1.409 473 HB3 ALA 65 HB3 ALA 65 -4.859 -9.011 1.660 474 H GLY 66 HN GLY 66 -3.655 -11.528 -1.240 475 HA2 GLY 66 HA2 GLY 66 -0.876 -10.962 -1.915 476 HA3 GLY 66 HA1 GLY 66 -1.652 -12.538 -1.928 477 H ARG 67 HN ARG 67 -3.300 -9.951 -3.468 478 HA ARG 67 HA ARG 67 -2.508 -11.036 -6.093 479 HB2 ARG 67 HB2 ARG 67 -5.175 -9.902 -5.226 480 HB3 ARG 67 HB1 ARG 67 -4.780 -10.397 -6.866 481 HG2 ARG 67 HG2 ARG 67 -4.743 -12.260 -4.496 482 HG3 ARG 67 HG1 ARG 67 -6.134 -12.035 -5.555 483 HD2 ARG 67 HD2 ARG 67 -4.999 -13.971 -6.314 484 HD3 ARG 67 HD1 ARG 67 -4.658 -12.695 -7.477 485 HE ARG 67 HE ARG 67 -2.626 -12.834 -5.497 486 HH11 ARG 67 HH11 ARG 67 -3.795 -14.462 -8.370 487 HH12 ARG 67 HH12 ARG 67 -2.237 -15.122 -8.774 488 HH21 ARG 67 HH21 ARG 67 -0.586 -13.718 -6.037 489 HH22 ARG 67 HH22 ARG 67 -0.434 -14.694 -7.465 490 H VAL 68 HN VAL 68 -1.336 -8.778 -4.563 491 HA VAL 68 HA VAL 68 -1.695 -6.717 -6.616 492 HB VAL 68 HB VAL 68 -1.498 -4.951 -4.820 493 HG11 VAL 68 HG11 VAL 68 -3.617 -5.420 -5.928 494 HG12 VAL 68 HG12 VAL 68 -3.878 -5.018 -4.230 495 HG13 VAL 68 HG13 VAL 68 -3.957 -6.697 -4.761 496 HG21 VAL 68 HG21 VAL 68 -2.226 -7.236 -2.979 497 HG22 VAL 68 HG22 VAL 68 -2.136 -5.531 -2.538 498 HG23 VAL 68 HG23 VAL 68 -0.674 -6.398 -3.009 499 H ASP 69 HN ASP 69 0.231 -6.704 -7.581 500 HA ASP 69 HA ASP 69 2.658 -7.115 -6.021 501 HB2 ASP 69 HB2 ASP 69 2.205 -6.863 -9.000 502 HB3 ASP 69 HB1 ASP 69 3.787 -7.089 -8.260 503 H THR 70 HN THR 70 1.173 -4.645 -8.067 504 HA THR 70 HA THR 70 3.300 -2.783 -7.277 505 HB THR 70 HB THR 70 2.503 -1.359 -9.142 506 HG1 THR 70 HG1 THR 70 0.933 -2.145 -10.543 507 HG21 THR 70 HG21 THR 70 3.151 -4.196 -9.944 508 HG22 THR 70 HG22 THR 70 4.321 -2.948 -9.513 509 HG23 THR 70 HG23 THR 70 3.331 -2.766 -10.961 510 HA PRO 71 HA PRO 71 0.697 -0.512 -4.482 511 HB2 PRO 71 HB2 PRO 71 2.015 1.807 -5.829 512 HB3 PRO 71 HB1 PRO 71 1.820 1.474 -4.107 513 HG2 PRO 71 HG2 PRO 71 4.162 1.064 -5.247 514 HG3 PRO 71 HG1 PRO 71 3.523 -0.125 -4.093 515 HD2 PRO 71 HD2 PRO 71 3.624 -0.238 -7.079 516 HD3 PRO 71 HD1 PRO 71 3.891 -1.532 -5.891 517 H ARG 72 HN ARG 72 0.934 0.463 -7.873 518 HA ARG 72 HA ARG 72 -1.210 2.212 -8.041 519 HB2 ARG 72 HB2 ARG 72 0.396 1.702 -9.875 520 HB3 ARG 72 HB1 ARG 72 -0.445 0.183 -10.143 521 HG2 ARG 72 HG2 ARG 72 -2.540 1.593 -10.475 522 HG3 ARG 72 HG1 ARG 72 -1.453 2.976 -10.574 523 HD2 ARG 72 HD2 ARG 72 -1.295 0.526 -12.319 524 HD3 ARG 72 HD1 ARG 72 -2.071 2.040 -12.776 525 HE ARG 72 HE ARG 72 0.666 2.374 -11.969 526 HH11 ARG 72 HH11 ARG 72 -1.462 1.568 -14.621 527 HH12 ARG 72 HH12 ARG 72 -0.315 1.992 -15.855 528 HH21 ARG 72 HH21 ARG 72 2.192 2.958 -13.588 529 HH22 ARG 72 HH22 ARG 72 1.747 2.809 -15.268 530 H GLU 73 HN GLU 73 -1.224 -1.305 -8.562 531 HA GLU 73 HA GLU 73 -4.022 -1.482 -8.981 532 HB2 GLU 73 HB2 GLU 73 -2.217 -3.704 -8.006 533 HB3 GLU 73 HB1 GLU 73 -3.736 -3.866 -8.870 534 HG2 GLU 73 HG2 GLU 73 -1.109 -2.887 -9.942 535 HG3 GLU 73 HG1 GLU 73 -1.994 -4.342 -10.398 536 H LEU 74 HN LEU 74 -1.963 -1.932 -6.153 537 HA LEU 74 HA LEU 74 -3.891 -2.865 -4.354 538 HB2 LEU 74 HB2 LEU 74 -1.411 -2.844 -4.015 539 HB3 LEU 74 HB1 LEU 74 -1.498 -1.117 -3.754 540 HG LEU 74 HG LEU 74 -1.324 -2.679 -1.710 541 HD11 LEU 74 HD11 LEU 74 -3.468 -0.560 -1.826 542 HD12 LEU 74 HD12 LEU 74 -1.752 -0.298 -1.517 543 HD13 LEU 74 HD13 LEU 74 -2.730 -1.196 -0.356 544 HD21 LEU 74 HD21 LEU 74 -3.056 -4.251 -2.353 545 HD22 LEU 74 HD22 LEU 74 -4.260 -2.964 -2.332 546 HD23 LEU 74 HD23 LEU 74 -3.473 -3.461 -0.833 547 H LEU 75 HN LEU 75 -2.857 0.428 -5.119 548 HA LEU 75 HA LEU 75 -4.493 1.823 -3.348 549 HB2 LEU 75 HB2 LEU 75 -2.613 2.752 -4.699 550 HB3 LEU 75 HB1 LEU 75 -3.631 2.666 -6.118 551 HG LEU 75 HG LEU 75 -4.518 4.288 -3.755 552 HD11 LEU 75 HD11 LEU 75 -2.611 5.192 -5.911 553 HD12 LEU 75 HD12 LEU 75 -2.230 5.001 -4.200 554 HD13 LEU 75 HD13 LEU 75 -3.383 6.232 -4.713 555 HD21 LEU 75 HD21 LEU 75 -4.921 4.557 -6.735 556 HD22 LEU 75 HD22 LEU 75 -5.613 5.608 -5.499 557 HD23 LEU 75 HD23 LEU 75 -6.095 3.915 -5.586 558 H ASP 76 HN ASP 76 -5.118 0.728 -6.664 559 HA ASP 76 HA ASP 76 -7.693 1.907 -6.888 560 HB2 ASP 76 HB2 ASP 76 -6.310 1.199 -8.840 561 HB3 ASP 76 HB1 ASP 76 -6.617 -0.479 -8.406 562 H LEU 77 HN LEU 77 -6.566 -1.246 -5.824 563 HA LEU 77 HA LEU 77 -9.014 -2.592 -5.793 564 HB2 LEU 77 HB2 LEU 77 -6.835 -3.693 -5.534 565 HB3 LEU 77 HB1 LEU 77 -6.639 -2.943 -3.963 566 HG LEU 77 HG LEU 77 -8.618 -4.211 -3.152 567 HD11 LEU 77 HD11 LEU 77 -9.733 -4.546 -5.300 568 HD12 LEU 77 HD12 LEU 77 -9.450 -6.083 -4.484 569 HD13 LEU 77 HD13 LEU 77 -8.417 -5.594 -5.827 570 HD21 LEU 77 HD21 LEU 77 -7.475 -6.357 -3.004 571 HD22 LEU 77 HD22 LEU 77 -6.346 -5.021 -2.776 572 HD23 LEU 77 HD23 LEU 77 -6.395 -5.883 -4.314 573 H ILE 78 HN ILE 78 -7.401 -0.767 -3.203 574 HA ILE 78 HA ILE 78 -9.480 -1.185 -1.317 575 HB ILE 78 HB ILE 78 -7.326 0.930 -1.387 576 HG12 ILE 78 HG12 ILE 78 -7.548 -1.708 0.083 577 HG13 ILE 78 HG11 ILE 78 -6.468 -1.354 -1.261 578 HG21 ILE 78 HG21 ILE 78 -7.800 1.260 0.999 579 HG22 ILE 78 HG22 ILE 78 -9.159 0.141 0.879 580 HG23 ILE 78 HG23 ILE 78 -9.195 1.669 -0.002 581 HD11 ILE 78 HD11 ILE 78 -5.303 0.292 0.128 582 HD12 ILE 78 HD12 ILE 78 -5.260 -1.324 0.829 583 HD13 ILE 78 HD13 ILE 78 -6.364 -0.111 1.480 584 H ASN 79 HN ASN 79 -8.802 1.365 -3.659 585 HA ASN 79 HA ASN 79 -10.850 3.140 -2.856 586 HB2 ASN 79 HB2 ASN 79 -9.207 2.779 -5.311 587 HB3 ASN 79 HB1 ASN 79 -10.675 3.741 -5.451 588 HD21 ASN 79 HD21 ASN 79 -7.525 3.514 -3.997 589 HD22 ASN 79 HD22 ASN 79 -7.427 5.169 -3.492 590 H GLY 80 HN GLY 80 -10.804 0.394 -5.072 591 HA2 GLY 80 HA2 GLY 80 -13.411 0.711 -6.114 592 HA3 GLY 80 HA1 GLY 80 -12.499 -0.790 -6.063 593 H ALA 81 HN ALA 81 -12.208 -0.870 -3.212 594 HA ALA 81 HA ALA 81 -14.689 -2.096 -2.515 595 HB1 ALA 81 HB1 ALA 81 -12.322 -1.440 -0.760 596 HB2 ALA 81 HB2 ALA 81 -12.533 -2.928 -1.681 597 HB3 ALA 81 HB3 ALA 81 -13.638 -2.544 -0.362 598 H LEU 82 HN LEU 82 -13.251 1.035 -1.995 599 HA LEU 82 HA LEU 82 -15.151 1.848 0.010 600 HB2 LEU 82 HB2 LEU 82 -13.191 3.419 -1.665 601 HB3 LEU 82 HB1 LEU 82 -14.202 4.130 -0.421 602 HG LEU 82 HG LEU 82 -12.113 1.996 0.043 603 HD11 LEU 82 HD11 LEU 82 -10.860 3.774 1.162 604 HD12 LEU 82 HD12 LEU 82 -12.086 4.944 0.675 605 HD13 LEU 82 HD13 LEU 82 -11.112 4.129 -0.548 606 HD21 LEU 82 HD21 LEU 82 -12.515 2.449 2.415 607 HD22 LEU 82 HD22 LEU 82 -13.967 1.846 1.616 608 HD23 LEU 82 HD23 LEU 82 -13.811 3.565 1.984 609 H ALA 83 HN ALA 83 -14.755 2.255 -3.470 610 HA ALA 83 HA ALA 83 -16.906 4.021 -3.896 611 HB1 ALA 83 HB1 ALA 83 -16.754 3.394 -6.228 612 HB2 ALA 83 HB2 ALA 83 -15.792 1.975 -5.811 613 HB3 ALA 83 HB3 ALA 83 -15.136 3.592 -5.553 614 H GLU 84 HN GLU 84 -16.852 0.767 -3.011 615 HA GLU 84 HA GLU 84 -19.261 -0.203 -4.080 616 HB2 GLU 84 HB2 GLU 84 -17.626 -1.656 -3.013 617 HB3 GLU 84 HB1 GLU 84 -17.839 -0.820 -1.482 618 HG2 GLU 84 HG2 GLU 84 -18.987 -2.895 -1.372 619 HG3 GLU 84 HG1 GLU 84 -20.189 -1.608 -1.445 620 H ALA 85 HN ALA 85 -18.565 1.394 -0.971 621 HA ALA 85 HA ALA 85 -21.455 1.600 -0.472 622 HB1 ALA 85 HB1 ALA 85 -19.143 1.861 1.452 623 HB2 ALA 85 HB2 ALA 85 -20.175 0.444 1.253 624 HB3 ALA 85 HB3 ALA 85 -20.853 1.947 1.876 625 H ALA 86 HN ALA 86 -19.175 3.424 -1.839 626 HA ALA 86 HA ALA 86 -20.150 5.916 -0.621 627 HB1 ALA 86 HB1 ALA 86 -17.505 5.455 -1.992 628 HB2 ALA 86 HB2 ALA 86 -17.755 5.588 -0.251 629 HB3 ALA 86 HB3 ALA 86 -18.062 6.975 -1.293 630 H28 SXO 87 H28B SXO 87 6.475 -12.127 6.976 631 H28A SXO 87 H28A SXO 87 7.312 -13.186 8.115 632 H30 SXO 87 H30A SXO 87 4.914 -12.956 9.078 633 H30A SXO 87 H30C SXO 87 4.267 -12.281 7.584 634 H30B SXO 87 H30B SXO 87 3.588 -13.768 8.246 635 H31 SXO 87 H31A SXO 87 4.681 -13.389 5.424 636 H31A SXO 87 H31B SXO 87 4.043 -14.922 6.018 637 H31B SXO 87 H31C SXO 87 5.673 -14.844 5.345 638 H32 SXO 87 H32A SXO 87 5.995 -15.157 9.082 639 HO33 SXO 87 H33A SXO 87 6.685 -16.855 7.119 640 HN36 SXO 87 H36A SXO 87 3.503 -15.181 9.112 641 H37 SXO 87 H37A SXO 87 2.432 -17.649 7.898 642 H37A SXO 87 H37B SXO 87 2.101 -17.179 9.568 643 H38 SXO 87 H38B SXO 87 0.914 -15.206 8.804 644 H38A SXO 87 H38A SXO 87 0.224 -16.650 8.063 645 HN41 SXO 87 H41A SXO 87 0.385 -13.740 7.351 646 H42 SXO 87 H42A SXO 87 1.963 -13.457 5.000 647 H42A SXO 87 H42B SXO 87 0.271 -13.780 4.611 648 H43 SXO 87 H43B SXO 87 -0.447 -11.770 5.606 649 H43A SXO 87 H43A SXO 87 1.061 -11.598 6.524 650 H2 SXO 87 H2A SXO 87 0.016 -11.227 0.900 651 H2A SXO 87 H2B SXO 87 1.707 -11.286 1.396 652 H3 SXO 87 H3B SXO 87 1.552 -9.060 2.332 653 H3A SXO 87 H3A SXO 87 1.025 -9.043 0.648 654 H4 SXO 87 H4A SXO 87 -0.798 -9.127 3.055 655 H4A SXO 87 H4B SXO 87 -1.309 -9.078 1.368 656 H5 SXO 87 H5B SXO 87 -1.446 -6.866 2.411 657 H5A SXO 87 H5A SXO 87 0.276 -6.938 2.793 658 H6 SXO 87 H6A SXO 87 -0.921 -7.000 0.019 659 H6A SXO 87 H6B SXO 87 0.802 -7.047 0.403 660 H7 SXO 87 H7A SXO 87 0.177 -4.791 -0.236 661 H7A SXO 87 H7B SXO 87 0.576 -4.822 1.491 662 H8 SXO 87 H8C SXO 87 -1.808 -4.961 2.023 663 H8A SXO 87 H8A SXO 87 -2.196 -4.921 0.301 664 H8B SXO 87 H8B SXO 87 -1.450 -3.522 1.073 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -18.615 14.656 0.836 2 H2 MET 1 HT2 MET 1 -18.915 13.200 0.021 3 H3 MET 1 HT3 MET 1 -18.816 14.649 -0.850 4 HA MET 1 HA MET 1 -16.826 13.371 -1.139 5 HB2 MET 1 HB2 MET 1 -15.199 15.062 -0.460 6 HB3 MET 1 HB1 MET 1 -16.643 15.811 -1.118 7 HG2 MET 1 HG2 MET 1 -17.419 16.247 1.181 8 HG3 MET 1 HG1 MET 1 -15.901 15.581 1.786 9 HE1 MET 1 HE1 MET 1 -16.475 17.773 -1.450 10 HE2 MET 1 HE2 MET 1 -16.160 19.391 -0.824 11 HE3 MET 1 HE3 MET 1 -17.580 18.497 -0.282 12 H ALA 2 HN ALA 2 -15.161 12.166 -0.315 13 HA ALA 2 HA ALA 2 -15.016 11.804 2.579 14 HB1 ALA 2 HB1 ALA 2 -15.124 9.377 2.395 15 HB2 ALA 2 HB2 ALA 2 -15.405 9.507 0.659 16 HB3 ALA 2 HB3 ALA 2 -16.611 10.112 1.794 17 H THR 3 HN THR 3 -13.030 10.911 3.280 18 HA THR 3 HA THR 3 -10.809 11.590 1.613 19 HB THR 3 HB THR 3 -9.490 10.541 3.536 20 HG1 THR 3 HG1 THR 3 -11.377 9.259 4.221 21 HG21 THR 3 HG21 THR 3 -9.896 12.950 3.326 22 HG22 THR 3 HG22 THR 3 -9.915 12.439 5.015 23 HG23 THR 3 HG23 THR 3 -11.430 12.770 4.173 24 H LEU 4 HN LEU 4 -10.480 10.329 -0.110 25 HA LEU 4 HA LEU 4 -10.615 7.439 0.037 26 HB2 LEU 4 HB2 LEU 4 -9.769 9.290 -2.196 27 HB3 LEU 4 HB1 LEU 4 -9.902 7.551 -2.341 28 HG LEU 4 HG LEU 4 -12.191 9.441 -1.776 29 HD11 LEU 4 HD11 LEU 4 -11.481 7.880 -4.254 30 HD12 LEU 4 HD12 LEU 4 -11.373 9.630 -4.059 31 HD13 LEU 4 HD13 LEU 4 -12.947 8.831 -4.018 32 HD21 LEU 4 HD21 LEU 4 -13.603 7.464 -2.090 33 HD22 LEU 4 HD22 LEU 4 -12.518 7.279 -0.709 34 HD23 LEU 4 HD23 LEU 4 -12.160 6.461 -2.231 35 H LEU 5 HN LEU 5 -8.647 6.286 -1.097 36 HA LEU 5 HA LEU 5 -6.257 7.100 0.369 37 HB2 LEU 5 HB2 LEU 5 -7.146 4.709 0.257 38 HB3 LEU 5 HB1 LEU 5 -6.627 4.690 -1.413 39 HG LEU 5 HG LEU 5 -4.709 5.214 0.854 40 HD11 LEU 5 HD11 LEU 5 -4.113 2.843 0.709 41 HD12 LEU 5 HD12 LEU 5 -5.441 2.581 -0.420 42 HD13 LEU 5 HD13 LEU 5 -5.778 3.066 1.243 43 HD21 LEU 5 HD21 LEU 5 -3.973 5.830 -1.426 44 HD22 LEU 5 HD22 LEU 5 -4.269 4.170 -1.946 45 HD23 LEU 5 HD23 LEU 5 -3.028 4.510 -0.740 46 H THR 6 HN THR 6 -4.723 8.322 -0.616 47 HA THR 6 HA THR 6 -4.738 8.365 -3.562 48 HB THR 6 HB THR 6 -5.433 10.510 -2.495 49 HG1 THR 6 HG1 THR 6 -3.395 11.632 -3.611 50 HG21 THR 6 HG21 THR 6 -3.739 11.898 -1.401 51 HG22 THR 6 HG22 THR 6 -2.580 10.577 -1.518 52 HG23 THR 6 HG23 THR 6 -4.011 10.404 -0.503 53 H THR 7 HN THR 7 -2.604 9.151 -4.471 54 HA THR 7 HA THR 7 -0.630 7.249 -4.008 55 HB THR 7 HB THR 7 0.805 9.065 -5.281 56 HG1 THR 7 HG1 THR 7 -0.313 10.865 -5.520 57 HG21 THR 7 HG21 THR 7 -0.194 8.315 -7.385 58 HG22 THR 7 HG22 THR 7 -1.610 7.734 -6.510 59 HG23 THR 7 HG23 THR 7 -0.043 6.973 -6.247 60 H ASP 8 HN ASP 8 -0.934 10.551 -2.807 61 HA ASP 8 HA ASP 8 1.613 10.823 -1.668 62 HB2 ASP 8 HB2 ASP 8 -0.977 12.047 -0.690 63 HB3 ASP 8 HB1 ASP 8 0.647 12.627 -0.334 64 H ASP 9 HN ASP 9 -1.427 9.652 -0.271 65 HA ASP 9 HA ASP 9 -0.423 9.163 2.318 66 HB2 ASP 9 HB2 ASP 9 -2.775 7.983 0.844 67 HB3 ASP 9 HB1 ASP 9 -2.404 7.616 2.526 68 H LEU 10 HN LEU 10 -0.645 7.152 -0.560 69 HA LEU 10 HA LEU 10 0.108 4.731 0.621 70 HB2 LEU 10 HB2 LEU 10 -0.807 5.121 -1.701 71 HB3 LEU 10 HB1 LEU 10 0.805 5.624 -2.168 72 HG LEU 10 HG LEU 10 1.678 3.403 -1.645 73 HD11 LEU 10 HD11 LEU 10 0.151 1.580 -1.069 74 HD12 LEU 10 HD12 LEU 10 -1.183 2.727 -0.970 75 HD13 LEU 10 HD13 LEU 10 0.155 2.830 0.174 76 HD21 LEU 10 HD21 LEU 10 0.579 2.174 -3.436 77 HD22 LEU 10 HD22 LEU 10 0.815 3.861 -3.897 78 HD23 LEU 10 HD23 LEU 10 -0.778 3.298 -3.391 79 H ARG 11 HN ARG 11 2.065 7.288 -0.872 80 HA ARG 11 HA ARG 11 4.580 6.137 -0.573 81 HB2 ARG 11 HB2 ARG 11 4.387 8.094 -1.906 82 HB3 ARG 11 HB1 ARG 11 3.699 9.018 -0.579 83 HG2 ARG 11 HG2 ARG 11 5.783 9.135 0.539 84 HG3 ARG 11 HG1 ARG 11 6.495 7.927 -0.530 85 HD2 ARG 11 HD2 ARG 11 7.191 10.270 -1.021 86 HD3 ARG 11 HD1 ARG 11 6.455 9.428 -2.380 87 HE ARG 11 HE ARG 11 4.348 10.709 -1.490 88 HH11 ARG 11 HH11 ARG 11 7.633 11.882 -1.643 89 HH12 ARG 11 HH12 ARG 11 7.184 13.517 -2.014 90 HH21 ARG 11 HH21 ARG 11 3.736 12.872 -2.037 91 HH22 ARG 11 HH22 ARG 11 4.974 14.066 -2.263 92 H ARG 12 HN ARG 12 2.833 8.236 1.732 93 HA ARG 12 HA ARG 12 4.975 8.231 3.604 94 HB2 ARG 12 HB2 ARG 12 3.304 9.253 5.168 95 HB3 ARG 12 HB1 ARG 12 3.514 10.104 3.643 96 HG2 ARG 12 HG2 ARG 12 1.487 9.116 2.782 97 HG3 ARG 12 HG1 ARG 12 1.270 8.202 4.272 98 HD2 ARG 12 HD2 ARG 12 1.378 11.208 4.148 99 HD3 ARG 12 HD1 ARG 12 -0.119 10.279 4.099 100 HE ARG 12 HE ARG 12 1.171 9.387 6.345 101 HH11 ARG 12 HH11 ARG 12 0.061 12.494 5.166 102 HH12 ARG 12 HH12 ARG 12 -0.148 13.175 6.744 103 HH21 ARG 12 HH21 ARG 12 0.866 10.247 8.433 104 HH22 ARG 12 HH22 ARG 12 0.281 11.880 8.618 105 H ALA 13 HN ALA 13 2.225 6.167 3.097 106 HA ALA 13 HA ALA 13 1.938 5.135 5.686 107 HB1 ALA 13 HB1 ALA 13 0.676 3.338 4.680 108 HB2 ALA 13 HB2 ALA 13 1.344 3.717 3.094 109 HB3 ALA 13 HB3 ALA 13 0.266 4.862 3.892 110 H LEU 14 HN LEU 14 4.049 4.170 3.035 111 HA LEU 14 HA LEU 14 4.973 1.753 4.186 112 HB2 LEU 14 HB2 LEU 14 6.010 3.583 2.056 113 HB3 LEU 14 HB1 LEU 14 7.021 2.282 2.650 114 HG LEU 14 HG LEU 14 5.907 1.595 0.616 115 HD11 LEU 14 HD11 LEU 14 4.812 -0.449 1.397 116 HD12 LEU 14 HD12 LEU 14 4.739 0.219 3.029 117 HD13 LEU 14 HD13 LEU 14 6.300 -0.121 2.283 118 HD21 LEU 14 HD21 LEU 14 3.321 2.142 2.061 119 HD22 LEU 14 HD22 LEU 14 3.481 1.382 0.478 120 HD23 LEU 14 HD23 LEU 14 3.968 3.063 0.704 121 H VAL 15 HN VAL 15 5.802 5.077 4.673 122 HA VAL 15 HA VAL 15 8.252 4.470 6.106 123 HB VAL 15 HB VAL 15 6.817 7.116 5.832 124 HG11 VAL 15 HG11 VAL 15 8.989 8.096 6.385 125 HG12 VAL 15 HG12 VAL 15 9.667 6.482 6.584 126 HG13 VAL 15 HG13 VAL 15 8.407 7.049 7.681 127 HG21 VAL 15 HG21 VAL 15 7.392 6.198 3.634 128 HG22 VAL 15 HG22 VAL 15 9.065 5.997 4.158 129 HG23 VAL 15 HG23 VAL 15 8.370 7.612 4.023 130 H GLU 16 HN GLU 16 4.923 5.293 6.758 131 HA GLU 16 HA GLU 16 5.313 5.802 9.552 132 HB2 GLU 16 HB2 GLU 16 2.785 5.370 7.950 133 HB3 GLU 16 HB1 GLU 16 2.835 5.889 9.632 134 HG2 GLU 16 HG2 GLU 16 4.015 7.912 8.996 135 HG3 GLU 16 HG1 GLU 16 4.037 7.389 7.312 136 H SER 17 HN SER 17 5.011 2.975 7.707 137 HA SER 17 HA SER 17 3.962 1.378 9.877 138 HB2 SER 17 HB2 SER 17 4.539 -0.533 8.292 139 HB3 SER 17 HB1 SER 17 3.341 0.624 7.710 140 HG SER 17 HG SER 17 4.916 0.165 6.117 141 H ALA 18 HN ALA 18 7.012 1.317 8.030 142 HA ALA 18 HA ALA 18 8.299 -0.164 10.161 143 HB1 ALA 18 HB1 ALA 18 9.428 0.838 7.551 144 HB2 ALA 18 HB2 ALA 18 8.719 -0.755 7.823 145 HB3 ALA 18 HB3 ALA 18 10.205 -0.298 8.655 146 H GLY 19 HN GLY 19 9.252 2.774 8.368 147 HA2 GLY 19 HA2 GLY 19 9.797 4.847 9.432 148 HA3 GLY 19 HA1 GLY 19 10.159 3.958 10.902 149 H GLU 20 HN GLU 20 11.843 5.891 9.601 150 HA GLU 20 HA GLU 20 14.012 6.234 9.081 151 HB2 GLU 20 HB2 GLU 20 14.232 3.407 10.114 152 HB3 GLU 20 HB1 GLU 20 15.633 4.323 9.594 153 HG2 GLU 20 HG2 GLU 20 15.047 6.069 11.254 154 HG3 GLU 20 HG1 GLU 20 13.764 5.011 11.839 155 H THR 21 HN THR 21 15.945 4.753 7.814 156 HA THR 21 HA THR 21 16.701 4.027 5.847 157 HB THR 21 HB THR 21 15.413 2.347 4.577 158 HG1 THR 21 HG1 THR 21 13.358 3.259 6.073 159 HG21 THR 21 HG21 THR 21 15.680 1.837 7.540 160 HG22 THR 21 HG22 THR 21 16.953 1.664 6.330 161 HG23 THR 21 HG23 THR 21 15.550 0.593 6.296 162 H ASP 22 HN ASP 22 15.958 6.469 5.728 163 HA ASP 22 HA ASP 22 14.171 7.007 3.529 164 HB2 ASP 22 HB2 ASP 22 16.081 8.845 4.996 165 HB3 ASP 22 HB1 ASP 22 14.893 9.359 3.807 166 H GLY 23 HN GLY 23 15.265 5.613 1.984 167 HA2 GLY 23 HA2 GLY 23 17.133 7.117 0.402 168 HA3 GLY 23 HA1 GLY 23 17.866 5.717 1.170 169 H THR 24 HN THR 24 14.922 6.521 -0.674 170 HA THR 24 HA THR 24 15.634 4.733 -2.765 171 HB THR 24 HB THR 24 14.735 3.123 -1.028 172 HG1 THR 24 HG1 THR 24 14.662 2.337 -3.051 173 HG21 THR 24 HG21 THR 24 12.947 4.562 -0.135 174 HG22 THR 24 HG22 THR 24 12.321 3.014 -0.700 175 HG23 THR 24 HG23 THR 24 12.106 4.461 -1.682 176 H ASP 25 HN ASP 25 13.654 4.573 -4.356 177 HA ASP 25 HA ASP 25 12.694 7.333 -4.527 178 HB2 ASP 25 HB2 ASP 25 13.248 5.251 -6.614 179 HB3 ASP 25 HB1 ASP 25 12.223 6.639 -6.972 180 H LEU 26 HN LEU 26 10.967 7.039 -3.106 181 HA LEU 26 HA LEU 26 8.672 5.565 -4.208 182 HB2 LEU 26 HB2 LEU 26 9.026 6.974 -1.553 183 HB3 LEU 26 HB1 LEU 26 7.588 6.106 -2.051 184 HG LEU 26 HG LEU 26 10.306 4.854 -1.635 185 HD11 LEU 26 HD11 LEU 26 7.822 4.758 0.066 186 HD12 LEU 26 HD12 LEU 26 9.313 5.619 0.455 187 HD13 LEU 26 HD13 LEU 26 9.313 3.859 0.350 188 HD21 LEU 26 HD21 LEU 26 9.087 2.737 -1.803 189 HD22 LEU 26 HD22 LEU 26 8.969 3.670 -3.295 190 HD23 LEU 26 HD23 LEU 26 7.607 3.620 -2.178 191 H SER 27 HN SER 27 10.090 8.276 -4.837 192 HA SER 27 HA SER 27 7.881 10.136 -4.426 193 HB2 SER 27 HB2 SER 27 9.815 11.709 -5.341 194 HB3 SER 27 HB1 SER 27 9.778 11.171 -3.659 195 HG SER 27 HG SER 27 11.612 10.635 -5.599 196 H GLY 28 HN GLY 28 8.193 8.008 -6.695 197 HA2 GLY 28 HA2 GLY 28 6.745 9.411 -8.603 198 HA3 GLY 28 HA1 GLY 28 8.428 9.524 -9.085 199 H ASP 29 HN ASP 29 5.805 8.051 -9.911 200 HA ASP 29 HA ASP 29 5.281 6.236 -11.142 201 HB2 ASP 29 HB2 ASP 29 8.250 6.395 -11.605 202 HB3 ASP 29 HB1 ASP 29 7.243 5.210 -12.429 203 H PHE 30 HN PHE 30 5.777 5.726 -8.332 204 HA PHE 30 HA PHE 30 7.180 3.205 -8.223 205 HB2 PHE 30 HB2 PHE 30 6.824 3.268 -5.828 206 HB3 PHE 30 HB1 PHE 30 7.383 4.841 -6.374 207 HD1 PHE 30 HD2 PHE 30 5.588 6.658 -6.735 208 HD2 PHE 30 HD1 PHE 30 4.925 3.076 -4.538 209 HE1 PHE 30 HE2 PHE 30 3.678 7.710 -5.601 210 HE2 PHE 30 HE1 PHE 30 3.016 4.124 -3.397 211 HZ PHE 30 HZ PHE 30 2.390 6.445 -3.927 212 H LEU 31 HN LEU 31 3.929 4.251 -8.630 213 HA LEU 31 HA LEU 31 2.516 2.069 -7.607 214 HB2 LEU 31 HB2 LEU 31 1.816 3.720 -10.035 215 HB3 LEU 31 HB1 LEU 31 0.725 2.654 -9.178 216 HG LEU 31 HG LEU 31 1.927 5.228 -8.169 217 HD11 LEU 31 HD11 LEU 31 0.010 5.475 -9.643 218 HD12 LEU 31 HD12 LEU 31 -0.421 5.891 -7.985 219 HD13 LEU 31 HD13 LEU 31 -0.910 4.336 -8.658 220 HD21 LEU 31 HD21 LEU 31 0.230 3.228 -6.673 221 HD22 LEU 31 HD22 LEU 31 0.718 4.819 -6.084 222 HD23 LEU 31 HD23 LEU 31 1.933 3.571 -6.368 223 H ASP 32 HN ASP 32 4.439 2.307 -10.481 224 HA ASP 32 HA ASP 32 3.276 -0.115 -11.629 225 HB2 ASP 32 HB2 ASP 32 3.641 1.677 -13.190 226 HB3 ASP 32 HB1 ASP 32 5.310 1.864 -12.669 227 H LEU 33 HN LEU 33 5.908 0.869 -9.719 228 HA LEU 33 HA LEU 33 7.596 -1.380 -10.416 229 HB2 LEU 33 HB2 LEU 33 7.874 0.660 -8.202 230 HB3 LEU 33 HB1 LEU 33 9.094 -0.501 -8.684 231 HG LEU 33 HG LEU 33 8.059 1.746 -10.423 232 HD11 LEU 33 HD11 LEU 33 10.673 1.447 -8.954 233 HD12 LEU 33 HD12 LEU 33 9.372 2.562 -8.535 234 HD13 LEU 33 HD13 LEU 33 10.246 2.755 -10.056 235 HD21 LEU 33 HD21 LEU 33 9.948 1.128 -11.874 236 HD22 LEU 33 HD22 LEU 33 8.760 -0.168 -11.728 237 HD23 LEU 33 HD23 LEU 33 10.278 -0.256 -10.832 238 H ARG 34 HN ARG 34 7.667 -3.278 -9.334 239 HA ARG 34 HA ARG 34 5.593 -3.921 -7.503 240 HB2 ARG 34 HB2 ARG 34 8.103 -5.491 -8.110 241 HB3 ARG 34 HB1 ARG 34 6.654 -6.112 -7.333 242 HG2 ARG 34 HG2 ARG 34 5.400 -5.629 -9.424 243 HG3 ARG 34 HG1 ARG 34 6.932 -5.188 -10.186 244 HD2 ARG 34 HD2 ARG 34 7.777 -7.469 -9.529 245 HD3 ARG 34 HD1 ARG 34 6.123 -7.866 -9.073 246 HE ARG 34 HE ARG 34 6.545 -6.898 -11.791 247 HH11 ARG 34 HH11 ARG 34 5.876 -9.598 -9.646 248 HH12 ARG 34 HH12 ARG 34 5.595 -10.707 -10.952 249 HH21 ARG 34 HH21 ARG 34 6.146 -8.362 -13.484 250 HH22 ARG 34 HH22 ARG 34 5.771 -10.022 -13.124 251 H PHE 35 HN PHE 35 5.795 -4.553 -5.296 252 HA PHE 35 HA PHE 35 7.303 -2.937 -3.626 253 HB2 PHE 35 HB2 PHE 35 6.317 -5.726 -2.973 254 HB3 PHE 35 HB1 PHE 35 6.711 -4.458 -1.817 255 HD1 PHE 35 HD2 PHE 35 5.389 -2.206 -2.187 256 HD2 PHE 35 HD1 PHE 35 4.117 -6.028 -3.551 257 HE1 PHE 35 HE2 PHE 35 3.067 -1.395 -2.273 258 HE2 PHE 35 HE1 PHE 35 1.792 -5.229 -3.643 259 HZ PHE 35 HZ PHE 35 1.262 -2.914 -3.012 260 H GLU 36 HN GLU 36 8.188 -5.859 -5.227 261 HA GLU 36 HA GLU 36 10.471 -6.649 -3.850 262 HB2 GLU 36 HB2 GLU 36 9.793 -6.768 -6.791 263 HB3 GLU 36 HB1 GLU 36 11.157 -7.604 -6.065 264 HG2 GLU 36 HG2 GLU 36 8.334 -8.041 -5.144 265 HG3 GLU 36 HG1 GLU 36 9.060 -8.955 -6.468 266 H ASP 37 HN ASP 37 10.020 -4.048 -6.191 267 HA ASP 37 HA ASP 37 12.877 -3.729 -6.587 268 HB2 ASP 37 HB2 ASP 37 11.382 -3.455 -8.509 269 HB3 ASP 37 HB1 ASP 37 10.552 -2.137 -7.687 270 H ILE 38 HN ILE 38 10.321 -2.266 -4.745 271 HA ILE 38 HA ILE 38 11.984 0.017 -4.061 272 HB ILE 38 HB ILE 38 10.049 0.725 -2.640 273 HG12 ILE 38 HG12 ILE 38 8.680 -1.617 -3.981 274 HG13 ILE 38 HG11 ILE 38 9.079 -1.518 -2.268 275 HG21 ILE 38 HG21 ILE 38 9.492 0.200 -5.556 276 HG22 ILE 38 HG22 ILE 38 10.371 1.578 -4.895 277 HG23 ILE 38 HG23 ILE 38 8.651 1.378 -4.550 278 HD11 ILE 38 HD11 ILE 38 7.564 0.396 -2.043 279 HD12 ILE 38 HD12 ILE 38 6.734 -1.042 -2.638 280 HD13 ILE 38 HD13 ILE 38 7.151 0.261 -3.752 281 H GLY 39 HN GLY 39 12.168 -3.008 -3.160 282 HA2 GLY 39 HA2 GLY 39 13.337 -3.999 -1.461 283 HA3 GLY 39 HA1 GLY 39 13.750 -2.386 -0.903 284 H TYR 40 HN TYR 40 10.616 -4.108 -1.101 285 HA TYR 40 HA TYR 40 10.466 -3.803 1.817 286 HB2 TYR 40 HB2 TYR 40 8.371 -3.295 -0.257 287 HB3 TYR 40 HB1 TYR 40 7.887 -3.817 1.355 288 HD1 TYR 40 HD2 TYR 40 8.298 -2.383 3.297 289 HD2 TYR 40 HD1 TYR 40 9.315 -1.110 -0.631 290 HE1 TYR 40 HE2 TYR 40 8.487 -0.066 4.103 291 HE2 TYR 40 HE1 TYR 40 9.509 1.205 0.161 292 HH TYR 40 HH TYR 40 8.700 2.601 1.985 293 H ASP 41 HN ASP 41 10.362 -5.584 2.915 294 HA ASP 41 HA ASP 41 9.934 -8.133 1.651 295 HB2 ASP 41 HB2 ASP 41 10.646 -7.250 4.426 296 HB3 ASP 41 HB1 ASP 41 10.121 -8.906 4.142 297 H SER 42 HN SER 42 8.507 -9.740 2.613 298 HA SER 42 HA SER 42 5.841 -9.107 2.365 299 HB2 SER 42 HB2 SER 42 5.415 -11.323 3.411 300 HB3 SER 42 HB1 SER 42 6.693 -11.385 2.194 301 H LEU 43 HN LEU 43 7.622 -9.607 5.383 302 HA LEU 43 HA LEU 43 5.523 -9.230 7.167 303 HB2 LEU 43 HB2 LEU 43 7.800 -10.129 7.685 304 HB3 LEU 43 HB1 LEU 43 8.408 -8.488 7.632 305 HG LEU 43 HG LEU 43 6.914 -7.896 9.515 306 HD11 LEU 43 HD11 LEU 43 6.327 -10.852 9.580 307 HD12 LEU 43 HD12 LEU 43 5.194 -9.587 9.110 308 HD13 LEU 43 HD13 LEU 43 5.799 -9.656 10.766 309 HD21 LEU 43 HD21 LEU 43 8.764 -10.229 10.001 310 HD22 LEU 43 HD22 LEU 43 8.171 -9.113 11.231 311 HD23 LEU 43 HD23 LEU 43 9.220 -8.525 9.941 312 H ALA 44 HN ALA 44 7.885 -6.834 6.008 313 HA ALA 44 HA ALA 44 6.818 -4.661 7.456 314 HB1 ALA 44 HB1 ALA 44 9.079 -4.639 6.506 315 HB2 ALA 44 HB2 ALA 44 8.143 -3.244 5.970 316 HB3 ALA 44 HB3 ALA 44 8.395 -4.610 4.881 317 H LEU 45 HN LEU 45 6.086 -6.045 4.326 318 HA LEU 45 HA LEU 45 4.448 -3.982 3.341 319 HB2 LEU 45 HB2 LEU 45 5.348 -5.808 1.959 320 HB3 LEU 45 HB1 LEU 45 4.313 -6.951 2.793 321 HG LEU 45 HG LEU 45 2.330 -5.692 1.908 322 HD11 LEU 45 HD11 LEU 45 3.458 -3.561 1.507 323 HD12 LEU 45 HD12 LEU 45 2.673 -4.165 0.049 324 HD13 LEU 45 HD13 LEU 45 4.421 -4.313 0.235 325 HD21 LEU 45 HD21 LEU 45 3.146 -7.747 0.853 326 HD22 LEU 45 HD22 LEU 45 4.228 -6.795 -0.161 327 HD23 LEU 45 HD23 LEU 45 2.481 -6.623 -0.333 328 H MET 46 HN MET 46 3.645 -6.942 5.163 329 HA MET 46 HA MET 46 0.851 -6.486 5.138 330 HB2 MET 46 HB2 MET 46 0.641 -8.295 6.672 331 HB3 MET 46 HB1 MET 46 1.958 -8.704 5.586 332 HG2 MET 46 HG2 MET 46 3.580 -8.105 7.271 333 HG3 MET 46 HG1 MET 46 2.294 -7.576 8.351 334 HE1 MET 46 HE1 MET 46 0.456 -11.004 9.054 335 HE2 MET 46 HE2 MET 46 0.104 -9.919 7.708 336 HE3 MET 46 HE3 MET 46 0.420 -9.261 9.313 337 H GLU 47 HN GLU 47 3.392 -5.482 7.344 338 HA GLU 47 HA GLU 47 1.697 -4.497 9.382 339 HB2 GLU 47 HB2 GLU 47 4.495 -3.676 8.596 340 HB3 GLU 47 HB1 GLU 47 3.677 -3.129 10.053 341 HG2 GLU 47 HG2 GLU 47 3.493 -5.475 10.785 342 HG3 GLU 47 HG1 GLU 47 4.405 -5.958 9.358 343 H THR 48 HN THR 48 3.037 -3.058 6.465 344 HA THR 48 HA THR 48 2.124 -0.432 6.851 345 HB THR 48 HB THR 48 2.456 -1.850 4.203 346 HG1 THR 48 HG1 THR 48 4.387 -2.070 5.330 347 HG21 THR 48 HG21 THR 48 3.000 0.405 3.384 348 HG22 THR 48 HG22 THR 48 2.654 1.057 4.987 349 HG23 THR 48 HG23 THR 48 1.362 0.324 4.038 350 H ALA 49 HN ALA 49 0.539 -3.309 5.630 351 HA ALA 49 HA ALA 49 -1.742 -2.204 4.482 352 HB1 ALA 49 HB1 ALA 49 -1.154 -4.574 4.306 353 HB2 ALA 49 HB2 ALA 49 -2.807 -4.362 4.886 354 HB3 ALA 49 HB3 ALA 49 -1.525 -4.790 6.017 355 H ALA 50 HN ALA 50 -1.095 -3.059 7.856 356 HA ALA 50 HA ALA 50 -3.695 -2.678 8.852 357 HB1 ALA 50 HB1 ALA 50 -2.662 -2.631 11.057 358 HB2 ALA 50 HB2 ALA 50 -1.075 -2.414 10.322 359 HB3 ALA 50 HB3 ALA 50 -1.965 -3.914 10.069 360 H ARG 51 HN ARG 51 -1.103 -0.478 8.185 361 HA ARG 51 HA ARG 51 -1.956 1.752 9.671 362 HB2 ARG 51 HB2 ARG 51 -0.430 1.563 7.071 363 HB3 ARG 51 HB1 ARG 51 -0.646 3.052 7.965 364 HG2 ARG 51 HG2 ARG 51 0.807 0.596 8.904 365 HG3 ARG 51 HG1 ARG 51 1.528 2.127 8.408 366 HD2 ARG 51 HD2 ARG 51 0.237 3.221 10.261 367 HD3 ARG 51 HD1 ARG 51 -0.197 1.604 10.816 368 HE ARG 51 HE ARG 51 2.582 2.583 10.644 369 HH11 ARG 51 HH11 ARG 51 0.070 0.746 12.255 370 HH12 ARG 51 HH12 ARG 51 1.114 0.247 13.559 371 HH21 ARG 51 HH21 ARG 51 3.934 1.923 12.336 372 HH22 ARG 51 HH22 ARG 51 3.295 0.940 13.616 373 H LEU 52 HN LEU 52 -2.571 0.823 6.307 374 HA LEU 52 HA LEU 52 -4.239 3.059 5.761 375 HB2 LEU 52 HB2 LEU 52 -3.835 0.452 4.307 376 HB3 LEU 52 HB1 LEU 52 -4.807 1.772 3.692 377 HG LEU 52 HG LEU 52 -1.855 1.946 4.291 378 HD11 LEU 52 HD11 LEU 52 -2.216 0.464 2.438 379 HD12 LEU 52 HD12 LEU 52 -1.624 2.010 1.826 380 HD13 LEU 52 HD13 LEU 52 -3.334 1.603 1.694 381 HD21 LEU 52 HD21 LEU 52 -2.986 4.090 4.520 382 HD22 LEU 52 HD22 LEU 52 -3.747 3.876 2.943 383 HD23 LEU 52 HD23 LEU 52 -1.999 4.073 3.057 384 H GLU 53 HN GLU 53 -4.817 -0.274 6.733 385 HA GLU 53 HA GLU 53 -7.573 -0.390 6.351 386 HB2 GLU 53 HB2 GLU 53 -5.824 -1.720 8.416 387 HB3 GLU 53 HB1 GLU 53 -7.543 -2.058 8.266 388 HG2 GLU 53 HG2 GLU 53 -7.180 -2.801 5.962 389 HG3 GLU 53 HG1 GLU 53 -5.454 -2.496 6.146 390 H SER 54 HN SER 54 -5.834 0.386 9.362 391 HA SER 54 HA SER 54 -8.163 1.019 10.819 392 HB2 SER 54 HB2 SER 54 -6.056 0.359 11.898 393 HB3 SER 54 HB1 SER 54 -5.297 1.847 11.338 394 HG SER 54 HG SER 54 -7.650 1.927 12.892 395 H ARG 55 HN ARG 55 -6.032 2.957 8.807 396 HA ARG 55 HA ARG 55 -6.830 5.456 9.901 397 HB2 ARG 55 HB2 ARG 55 -4.671 5.151 8.747 398 HB3 ARG 55 HB1 ARG 55 -5.521 4.894 7.235 399 HG2 ARG 55 HG2 ARG 55 -6.332 7.142 7.230 400 HG3 ARG 55 HG1 ARG 55 -5.687 7.427 8.849 401 HD2 ARG 55 HD2 ARG 55 -3.437 7.237 8.053 402 HD3 ARG 55 HD1 ARG 55 -3.991 6.707 6.466 403 HE ARG 55 HE ARG 55 -4.921 9.325 7.282 404 HH11 ARG 55 HH11 ARG 55 -2.314 7.572 5.731 405 HH12 ARG 55 HH12 ARG 55 -1.946 8.861 4.625 406 HH21 ARG 55 HH21 ARG 55 -4.387 11.042 5.845 407 HH22 ARG 55 HH22 ARG 55 -3.128 10.807 4.665 408 H TYR 56 HN TYR 56 -7.839 3.673 6.986 409 HA TYR 56 HA TYR 56 -9.828 5.783 6.513 410 HB2 TYR 56 HB2 TYR 56 -8.496 3.835 4.640 411 HB3 TYR 56 HB1 TYR 56 -9.926 4.756 4.175 412 HD1 TYR 56 HD2 TYR 56 -9.802 7.309 4.548 413 HD2 TYR 56 HD1 TYR 56 -6.377 4.800 4.323 414 HE1 TYR 56 HE2 TYR 56 -8.416 9.273 4.049 415 HE2 TYR 56 HE1 TYR 56 -4.964 6.757 3.837 416 HH TYR 56 HH TYR 56 -5.344 9.151 2.834 417 H GLY 57 HN GLY 57 -9.816 3.155 8.198 418 HA2 GLY 57 HA2 GLY 57 -11.510 1.830 9.006 419 HA3 GLY 57 HA1 GLY 57 -12.620 2.865 8.124 420 H VAL 58 HN VAL 58 -10.028 0.866 6.844 421 HA VAL 58 HA VAL 58 -12.063 -0.692 5.392 422 HB VAL 58 HB VAL 58 -10.466 -1.018 3.585 423 HG11 VAL 58 HG11 VAL 58 -10.757 1.898 4.286 424 HG12 VAL 58 HG12 VAL 58 -11.950 0.906 3.444 425 HG13 VAL 58 HG13 VAL 58 -10.393 1.249 2.688 426 HG21 VAL 58 HG21 VAL 58 -8.619 0.794 5.134 427 HG22 VAL 58 HG22 VAL 58 -8.337 0.176 3.509 428 HG23 VAL 58 HG23 VAL 58 -8.397 -0.937 4.876 429 H SER 59 HN SER 59 -10.748 -2.772 4.481 430 HA SER 59 HA SER 59 -8.801 -3.774 6.347 431 HB2 SER 59 HB2 SER 59 -11.122 -4.329 7.307 432 HB3 SER 59 HB1 SER 59 -11.297 -5.424 5.936 433 HG SER 59 HG SER 59 -8.902 -5.782 7.137 434 H ILE 60 HN ILE 60 -7.389 -5.072 5.303 435 HA ILE 60 HA ILE 60 -7.933 -5.497 2.453 436 HB ILE 60 HB ILE 60 -5.332 -5.746 3.981 437 HG12 ILE 60 HG12 ILE 60 -6.374 -3.572 2.140 438 HG13 ILE 60 HG11 ILE 60 -6.164 -3.439 3.881 439 HG21 ILE 60 HG21 ILE 60 -5.873 -5.830 1.011 440 HG22 ILE 60 HG22 ILE 60 -5.362 -7.185 2.017 441 HG23 ILE 60 HG23 ILE 60 -4.277 -5.818 1.763 442 HD11 ILE 60 HD11 ILE 60 -3.755 -3.707 3.605 443 HD12 ILE 60 HD12 ILE 60 -4.375 -2.324 2.704 444 HD13 ILE 60 HD13 ILE 60 -3.975 -3.819 1.861 445 HA PRO 61 HA PRO 61 -9.008 -9.693 3.520 446 HB2 PRO 61 HB2 PRO 61 -9.017 -10.008 0.581 447 HB3 PRO 61 HB1 PRO 61 -10.304 -10.314 1.751 448 HG2 PRO 61 HG2 PRO 61 -10.396 -8.196 0.119 449 HG3 PRO 61 HG1 PRO 61 -10.974 -8.093 1.792 450 HD2 PRO 61 HD2 PRO 61 -8.396 -7.140 0.610 451 HD3 PRO 61 HD1 PRO 61 -9.451 -6.352 1.805 452 H ASP 62 HN ASP 62 -7.744 -11.325 3.958 453 HA ASP 62 HA ASP 62 -5.049 -11.555 3.339 454 HB2 ASP 62 HB2 ASP 62 -6.087 -12.667 5.232 455 HB3 ASP 62 HB1 ASP 62 -7.068 -13.654 4.157 456 H ASP 63 HN ASP 63 -7.844 -12.685 1.589 457 HA ASP 63 HA ASP 63 -6.471 -14.596 -0.029 458 HB2 ASP 63 HB2 ASP 63 -9.183 -13.289 -0.311 459 HB3 ASP 63 HB1 ASP 63 -8.593 -14.545 -1.391 460 H VAL 64 HN VAL 64 -7.718 -11.321 -0.619 461 HA VAL 64 HA VAL 64 -6.910 -11.315 -3.363 462 HB VAL 64 HB VAL 64 -7.732 -8.953 -1.666 463 HG11 VAL 64 HG11 VAL 64 -6.659 -8.347 -3.784 464 HG12 VAL 64 HG12 VAL 64 -8.376 -7.937 -3.793 465 HG13 VAL 64 HG13 VAL 64 -7.806 -9.367 -4.654 466 HG21 VAL 64 HG21 VAL 64 -9.435 -10.689 -1.571 467 HG22 VAL 64 HG22 VAL 64 -9.433 -10.805 -3.330 468 HG23 VAL 64 HG23 VAL 64 -9.994 -9.328 -2.546 469 H ALA 65 HN ALA 65 -5.442 -10.427 -0.367 470 HA ALA 65 HA ALA 65 -3.621 -8.492 -1.231 471 HB1 ALA 65 HB1 ALA 65 -3.279 -10.491 0.990 472 HB2 ALA 65 HB2 ALA 65 -4.123 -8.948 1.119 473 HB3 ALA 65 HB3 ALA 65 -2.388 -8.981 0.799 474 H GLY 66 HN GLY 66 -3.415 -11.990 -1.270 475 HA2 GLY 66 HA2 GLY 66 -0.612 -12.007 -1.956 476 HA3 GLY 66 HA1 GLY 66 -1.668 -13.404 -1.846 477 H ARG 67 HN ARG 67 -2.190 -10.537 -3.847 478 HA ARG 67 HA ARG 67 -1.521 -12.081 -6.247 479 HB2 ARG 67 HB2 ARG 67 -4.159 -10.639 -5.899 480 HB3 ARG 67 HB1 ARG 67 -3.611 -11.458 -7.355 481 HG2 ARG 67 HG2 ARG 67 -3.627 -13.592 -6.139 482 HG3 ARG 67 HG1 ARG 67 -4.238 -12.752 -4.712 483 HD2 ARG 67 HD2 ARG 67 -6.072 -13.799 -5.900 484 HD3 ARG 67 HD1 ARG 67 -6.216 -12.043 -5.996 485 HE ARG 67 HE ARG 67 -5.069 -13.626 -8.205 486 HH11 ARG 67 HH11 ARG 67 -7.345 -11.240 -7.024 487 HH12 ARG 67 HH12 ARG 67 -7.932 -10.824 -8.609 488 HH21 ARG 67 HH21 ARG 67 -5.837 -13.084 -10.284 489 HH22 ARG 67 HH22 ARG 67 -7.065 -11.867 -10.455 490 H VAL 68 HN VAL 68 -1.214 -9.282 -4.519 491 HA VAL 68 HA VAL 68 -1.197 -7.532 -6.872 492 HB VAL 68 HB VAL 68 -2.619 -6.748 -5.068 493 HG11 VAL 68 HG11 VAL 68 -1.710 -6.070 -2.905 494 HG12 VAL 68 HG12 VAL 68 -0.135 -6.716 -3.365 495 HG13 VAL 68 HG13 VAL 68 -1.513 -7.801 -3.175 496 HG21 VAL 68 HG21 VAL 68 -1.675 -4.506 -4.771 497 HG22 VAL 68 HG22 VAL 68 -1.534 -5.075 -6.434 498 HG23 VAL 68 HG23 VAL 68 -0.124 -5.089 -5.373 499 H ASP 69 HN ASP 69 0.678 -7.268 -7.821 500 HA ASP 69 HA ASP 69 3.161 -7.365 -6.277 501 HB2 ASP 69 HB2 ASP 69 2.582 -7.263 -9.235 502 HB3 ASP 69 HB1 ASP 69 4.200 -7.017 -8.601 503 H THR 70 HN THR 70 1.163 -5.134 -8.058 504 HA THR 70 HA THR 70 3.167 -3.020 -7.717 505 HB THR 70 HB THR 70 1.808 -1.861 -9.535 506 HG1 THR 70 HG1 THR 70 0.925 -4.283 -10.500 507 HG21 THR 70 HG21 THR 70 3.196 -4.457 -10.205 508 HG22 THR 70 HG22 THR 70 3.979 -2.894 -9.963 509 HG23 THR 70 HG23 THR 70 2.888 -3.136 -11.329 510 HA PRO 71 HA PRO 71 0.636 -0.881 -4.740 511 HB2 PRO 71 HB2 PRO 71 1.890 1.477 -6.072 512 HB3 PRO 71 HB1 PRO 71 1.786 1.073 -4.353 513 HG2 PRO 71 HG2 PRO 71 4.061 0.746 -5.683 514 HG3 PRO 71 HG1 PRO 71 3.541 -0.434 -4.467 515 HD2 PRO 71 HD2 PRO 71 3.470 -0.623 -7.443 516 HD3 PRO 71 HD1 PRO 71 3.790 -1.887 -6.239 517 H ARG 72 HN ARG 72 0.700 -0.067 -8.165 518 HA ARG 72 HA ARG 72 -1.439 1.698 -8.327 519 HB2 ARG 72 HB2 ARG 72 0.003 1.087 -10.237 520 HB3 ARG 72 HB1 ARG 72 -0.732 -0.507 -10.277 521 HG2 ARG 72 HG2 ARG 72 -1.723 0.823 -11.991 522 HG3 ARG 72 HG1 ARG 72 -2.921 0.569 -10.720 523 HD2 ARG 72 HD2 ARG 72 -1.566 2.915 -10.019 524 HD3 ARG 72 HD1 ARG 72 -1.844 3.027 -11.755 525 HE ARG 72 HE ARG 72 -4.074 2.344 -9.955 526 HH11 ARG 72 HH11 ARG 72 -2.620 4.630 -12.210 527 HH12 ARG 72 HH12 ARG 72 -4.082 5.538 -12.410 528 HH21 ARG 72 HH21 ARG 72 -5.964 3.529 -10.217 529 HH22 ARG 72 HH22 ARG 72 -5.993 4.927 -11.264 530 H GLU 73 HN GLU 73 -1.543 -1.839 -8.680 531 HA GLU 73 HA GLU 73 -4.340 -2.042 -8.837 532 HB2 GLU 73 HB2 GLU 73 -2.258 -4.053 -7.953 533 HB3 GLU 73 HB1 GLU 73 -3.951 -4.449 -8.216 534 HG2 GLU 73 HG2 GLU 73 -2.125 -3.310 -10.321 535 HG3 GLU 73 HG1 GLU 73 -2.474 -5.028 -10.120 536 H LEU 74 HN LEU 74 -2.131 -2.209 -6.099 537 HA LEU 74 HA LEU 74 -3.921 -3.011 -4.113 538 HB2 LEU 74 HB2 LEU 74 -1.341 -2.704 -4.094 539 HB3 LEU 74 HB1 LEU 74 -1.689 -1.052 -3.635 540 HG LEU 74 HG LEU 74 -1.117 -2.561 -1.730 541 HD11 LEU 74 HD11 LEU 74 -2.922 -1.808 -0.255 542 HD12 LEU 74 HD12 LEU 74 -3.878 -1.351 -1.667 543 HD13 LEU 74 HD13 LEU 74 -2.358 -0.522 -1.323 544 HD21 LEU 74 HD21 LEU 74 -2.165 -4.592 -2.522 545 HD22 LEU 74 HD22 LEU 74 -3.758 -3.841 -2.414 546 HD23 LEU 74 HD23 LEU 74 -2.822 -4.142 -0.949 547 H LEU 75 HN LEU 75 -2.948 0.263 -5.097 548 HA LEU 75 HA LEU 75 -4.588 1.697 -3.347 549 HB2 LEU 75 HB2 LEU 75 -2.709 2.622 -4.669 550 HB3 LEU 75 HB1 LEU 75 -3.675 2.480 -6.122 551 HG LEU 75 HG LEU 75 -4.723 4.136 -3.862 552 HD11 LEU 75 HD11 LEU 75 -2.384 4.829 -4.117 553 HD12 LEU 75 HD12 LEU 75 -3.498 6.072 -4.689 554 HD13 LEU 75 HD13 LEU 75 -2.644 5.053 -5.849 555 HD21 LEU 75 HD21 LEU 75 -5.643 5.442 -5.721 556 HD22 LEU 75 HD22 LEU 75 -6.123 3.747 -5.826 557 HD23 LEU 75 HD23 LEU 75 -4.845 4.370 -6.872 558 H ASP 76 HN ASP 76 -5.213 0.521 -6.628 559 HA ASP 76 HA ASP 76 -7.743 1.746 -6.921 560 HB2 ASP 76 HB2 ASP 76 -6.295 -0.442 -8.358 561 HB3 ASP 76 HB1 ASP 76 -7.983 -0.123 -8.724 562 H LEU 77 HN LEU 77 -6.780 -1.418 -5.691 563 HA LEU 77 HA LEU 77 -9.340 -2.588 -5.682 564 HB2 LEU 77 HB2 LEU 77 -6.945 -3.092 -3.914 565 HB3 LEU 77 HB1 LEU 77 -8.388 -4.088 -3.905 566 HG LEU 77 HG LEU 77 -6.568 -3.692 -6.283 567 HD11 LEU 77 HD11 LEU 77 -5.911 -6.028 -5.879 568 HD12 LEU 77 HD12 LEU 77 -6.864 -6.026 -4.394 569 HD13 LEU 77 HD13 LEU 77 -5.460 -4.970 -4.542 570 HD21 LEU 77 HD21 LEU 77 -7.857 -5.509 -7.285 571 HD22 LEU 77 HD22 LEU 77 -8.886 -4.126 -6.921 572 HD23 LEU 77 HD23 LEU 77 -8.918 -5.544 -5.877 573 H ILE 78 HN ILE 78 -7.590 -0.780 -3.178 574 HA ILE 78 HA ILE 78 -9.682 -0.980 -1.258 575 HB ILE 78 HB ILE 78 -7.420 1.023 -1.385 576 HG12 ILE 78 HG12 ILE 78 -7.621 -1.624 0.063 577 HG13 ILE 78 HG11 ILE 78 -6.672 -1.331 -1.390 578 HG21 ILE 78 HG21 ILE 78 -9.230 1.720 0.114 579 HG22 ILE 78 HG22 ILE 78 -7.772 1.290 1.011 580 HG23 ILE 78 HG23 ILE 78 -9.130 0.169 0.951 581 HD11 ILE 78 HD11 ILE 78 -6.237 -0.028 1.289 582 HD12 ILE 78 HD12 ILE 78 -5.268 0.229 -0.164 583 HD13 ILE 78 HD13 ILE 78 -5.293 -1.355 0.610 584 H ASN 79 HN ASN 79 -8.782 1.452 -3.665 585 HA ASN 79 HA ASN 79 -10.680 3.391 -2.835 586 HB2 ASN 79 HB2 ASN 79 -8.910 3.027 -5.180 587 HB3 ASN 79 HB1 ASN 79 -10.341 4.021 -5.434 588 HD21 ASN 79 HD21 ASN 79 -7.349 3.703 -3.690 589 HD22 ASN 79 HD22 ASN 79 -7.263 5.352 -3.174 590 H GLY 80 HN GLY 80 -10.878 0.593 -4.910 591 HA2 GLY 80 HA2 GLY 80 -13.297 1.214 -6.233 592 HA3 GLY 80 HA1 GLY 80 -12.656 -0.401 -5.970 593 H ALA 81 HN ALA 81 -12.628 -0.366 -3.154 594 HA ALA 81 HA ALA 81 -15.357 -1.008 -2.610 595 HB1 ALA 81 HB1 ALA 81 -13.013 -0.791 -0.719 596 HB2 ALA 81 HB2 ALA 81 -13.511 -2.244 -1.586 597 HB3 ALA 81 HB3 ALA 81 -14.568 -1.544 -0.360 598 H LEU 82 HN LEU 82 -13.260 1.716 -1.946 599 HA LEU 82 HA LEU 82 -15.139 2.986 -0.161 600 HB2 LEU 82 HB2 LEU 82 -12.575 3.978 -1.404 601 HB3 LEU 82 HB1 LEU 82 -13.527 4.884 -0.243 602 HG LEU 82 HG LEU 82 -12.198 2.226 0.292 603 HD11 LEU 82 HD11 LEU 82 -11.476 4.991 1.254 604 HD12 LEU 82 HD12 LEU 82 -10.596 4.065 0.035 605 HD13 LEU 82 HD13 LEU 82 -10.675 3.484 1.698 606 HD21 LEU 82 HD21 LEU 82 -13.674 4.106 2.129 607 HD22 LEU 82 HD22 LEU 82 -12.814 2.644 2.618 608 HD23 LEU 82 HD23 LEU 82 -14.239 2.526 1.585 609 H ALA 83 HN ALA 83 -14.927 2.697 -3.481 610 HA ALA 83 HA ALA 83 -15.650 5.301 -4.335 611 HB1 ALA 83 HB1 ALA 83 -16.253 4.255 -6.442 612 HB2 ALA 83 HB2 ALA 83 -16.213 2.665 -5.681 613 HB3 ALA 83 HB3 ALA 83 -14.727 3.600 -5.846 614 H GLU 84 HN GLU 84 -17.471 2.578 -3.141 615 HA GLU 84 HA GLU 84 -19.974 4.034 -3.657 616 HB2 GLU 84 HB2 GLU 84 -19.552 1.095 -3.085 617 HB3 GLU 84 HB1 GLU 84 -21.100 1.867 -3.405 618 HG2 GLU 84 HG2 GLU 84 -20.258 2.528 -5.638 619 HG3 GLU 84 HG1 GLU 84 -18.785 1.617 -5.310 620 H ALA 85 HN ALA 85 -17.983 4.321 -1.399 621 HA ALA 85 HA ALA 85 -19.625 3.528 0.889 622 HB1 ALA 85 HB1 ALA 85 -16.856 4.729 0.783 623 HB2 ALA 85 HB2 ALA 85 -17.253 3.029 1.046 624 HB3 ALA 85 HB3 ALA 85 -17.703 4.238 2.249 625 H ALA 86 HN ALA 86 -20.743 4.937 2.095 626 HA ALA 86 HA ALA 86 -20.213 7.774 2.030 627 HB1 ALA 86 HB1 ALA 86 -22.823 6.699 0.961 628 HB2 ALA 86 HB2 ALA 86 -21.585 7.545 0.032 629 HB3 ALA 86 HB3 ALA 86 -22.478 8.393 1.297 630 H28 SXO 87 H28B SXO 87 5.070 -11.914 5.420 631 H28A SXO 87 H28A SXO 87 5.432 -13.309 6.440 632 H30 SXO 87 H30A SXO 87 1.740 -13.043 6.243 633 H30A SXO 87 H30C SXO 87 3.127 -12.971 7.329 634 H30B SXO 87 H30B SXO 87 2.859 -11.679 6.158 635 H31 SXO 87 H31A SXO 87 3.153 -12.106 3.740 636 H31A SXO 87 H31B SXO 87 2.090 -13.511 3.804 637 H31B SXO 87 H31C SXO 87 3.733 -13.677 3.183 638 H32 SXO 87 H32A SXO 87 3.680 -15.211 6.619 639 HO33 SXO 87 H33A SXO 87 5.131 -15.024 4.397 640 HN36 SXO 87 H36A SXO 87 1.250 -14.602 6.598 641 H37 SXO 87 H37A SXO 87 -0.219 -16.620 5.087 642 H37A SXO 87 H37B SXO 87 -0.791 -15.730 6.495 643 H38 SXO 87 H38B SXO 87 -1.990 -15.031 4.505 644 H38A SXO 87 H38A SXO 87 -0.468 -14.653 3.702 645 HN41 SXO 87 H41A SXO 87 -1.803 -12.675 3.464 646 H42 SXO 87 H42A SXO 87 -2.702 -10.731 4.831 647 H42A SXO 87 H42B SXO 87 -1.083 -10.715 5.533 648 H43 SXO 87 H43B SXO 87 -0.106 -10.211 3.385 649 H43A SXO 87 H43A SXO 87 -1.688 -10.365 2.598 650 H2 SXO 87 H2A SXO 87 -2.105 -6.113 2.708 651 H2A SXO 87 H2B SXO 87 -1.831 -6.477 1.004 652 H3 SXO 87 H3B SXO 87 0.205 -5.287 2.882 653 H3A SXO 87 H3A SXO 87 0.423 -5.597 1.157 654 H4 SXO 87 H4A SXO 87 -1.659 -3.757 2.331 655 H4A SXO 87 H4B SXO 87 -1.324 -4.014 0.618 656 H5 SXO 87 H5B SXO 87 0.631 -2.886 2.618 657 H5A SXO 87 H5A SXO 87 0.897 -3.079 0.884 658 H6 SXO 87 H6A SXO 87 -1.194 -1.326 2.166 659 H6A SXO 87 H6B SXO 87 -0.947 -1.531 0.433 660 H7 SXO 87 H7A SXO 87 1.106 -0.431 2.357 661 H7A SXO 87 H7B SXO 87 0.095 0.538 1.275 662 H8 SXO 87 H8C SXO 87 2.073 -1.574 0.433 663 H8A SXO 87 H8A SXO 87 2.320 0.167 0.336 664 H8B SXO 87 H8B SXO 87 1.074 -0.601 -0.647 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -19.648 12.568 2.178 2 H2 MET 1 HT2 MET 1 -18.582 11.887 3.304 3 H3 MET 1 HT3 MET 1 -19.113 10.972 1.980 4 HA MET 1 HA MET 1 -17.958 12.344 0.453 5 HB2 MET 1 HB2 MET 1 -18.270 14.449 1.757 6 HB3 MET 1 HB1 MET 1 -17.019 13.911 2.866 7 HG2 MET 1 HG2 MET 1 -16.074 15.472 1.321 8 HG3 MET 1 HG1 MET 1 -15.421 13.868 0.987 9 HE1 MET 1 HE1 MET 1 -15.262 16.382 -1.041 10 HE2 MET 1 HE2 MET 1 -15.596 15.558 -2.564 11 HE3 MET 1 HE3 MET 1 -14.547 14.802 -1.365 12 H ALA 2 HN ALA 2 -16.355 12.177 3.635 13 HA ALA 2 HA ALA 2 -14.692 10.881 4.462 14 HB1 ALA 2 HB1 ALA 2 -15.295 9.072 2.123 15 HB2 ALA 2 HB2 ALA 2 -15.994 8.961 3.739 16 HB3 ALA 2 HB3 ALA 2 -14.272 8.665 3.501 17 H THR 3 HN THR 3 -12.625 9.482 3.280 18 HA THR 3 HA THR 3 -11.428 11.232 1.288 19 HB THR 3 HB THR 3 -10.680 12.280 3.320 20 HG1 THR 3 HG1 THR 3 -9.105 11.610 1.534 21 HG21 THR 3 HG21 THR 3 -9.739 9.554 4.224 22 HG22 THR 3 HG22 THR 3 -11.058 10.496 4.923 23 HG23 THR 3 HG23 THR 3 -9.398 11.078 5.047 24 H LEU 4 HN LEU 4 -10.592 10.004 -0.228 25 HA LEU 4 HA LEU 4 -10.297 7.156 0.167 26 HB2 LEU 4 HB2 LEU 4 -9.722 8.819 -2.288 27 HB3 LEU 4 HB1 LEU 4 -9.848 7.071 -2.225 28 HG LEU 4 HG LEU 4 -12.074 9.065 -1.829 29 HD11 LEU 4 HD11 LEU 4 -11.484 8.718 -4.143 30 HD12 LEU 4 HD12 LEU 4 -13.025 7.927 -3.800 31 HD13 LEU 4 HD13 LEU 4 -11.549 6.968 -3.926 32 HD21 LEU 4 HD21 LEU 4 -13.562 7.178 -1.517 33 HD22 LEU 4 HD22 LEU 4 -12.313 7.178 -0.272 34 HD23 LEU 4 HD23 LEU 4 -12.203 6.060 -1.631 35 H LEU 5 HN LEU 5 -8.329 6.029 -0.615 36 HA LEU 5 HA LEU 5 -5.988 7.143 0.662 37 HB2 LEU 5 HB2 LEU 5 -6.873 4.656 0.533 38 HB3 LEU 5 HB1 LEU 5 -5.990 4.628 -0.978 39 HG LEU 5 HG LEU 5 -4.768 5.243 1.715 40 HD11 LEU 5 HD11 LEU 5 -4.734 2.713 0.086 41 HD12 LEU 5 HD12 LEU 5 -5.547 2.959 1.630 42 HD13 LEU 5 HD13 LEU 5 -3.787 3.008 1.547 43 HD21 LEU 5 HD21 LEU 5 -3.526 6.267 -0.096 44 HD22 LEU 5 HD22 LEU 5 -3.502 4.739 -0.977 45 HD23 LEU 5 HD23 LEU 5 -2.633 4.892 0.550 46 H THR 6 HN THR 6 -4.483 8.354 -0.414 47 HA THR 6 HA THR 6 -4.596 8.326 -3.353 48 HB THR 6 HB THR 6 -3.742 10.571 -3.358 49 HG1 THR 6 HG1 THR 6 -3.812 10.850 -0.564 50 HG21 THR 6 HG21 THR 6 -5.532 11.757 -2.162 51 HG22 THR 6 HG22 THR 6 -5.915 10.277 -1.284 52 HG23 THR 6 HG23 THR 6 -6.147 10.348 -3.029 53 H THR 7 HN THR 7 -2.407 9.175 -4.306 54 HA THR 7 HA THR 7 -0.430 7.242 -3.837 55 HB THR 7 HB THR 7 1.019 8.918 -5.189 56 HG1 THR 7 HG1 THR 7 -0.712 10.259 -6.419 57 HG21 THR 7 HG21 THR 7 -0.011 6.909 -6.123 58 HG22 THR 7 HG22 THR 7 -0.108 8.254 -7.260 59 HG23 THR 7 HG23 THR 7 -1.530 7.779 -6.333 60 H ASP 8 HN ASP 8 -0.436 10.722 -3.012 61 HA ASP 8 HA ASP 8 2.040 10.585 -1.636 62 HB2 ASP 8 HB2 ASP 8 1.438 12.843 -0.758 63 HB3 ASP 8 HB1 ASP 8 1.345 12.711 -2.510 64 H ASP 9 HN ASP 9 -1.286 10.127 -0.637 65 HA ASP 9 HA ASP 9 -0.873 9.990 2.144 66 HB2 ASP 9 HB2 ASP 9 -2.872 8.917 0.227 67 HB3 ASP 9 HB1 ASP 9 -2.752 8.073 1.766 68 H LEU 10 HN LEU 10 -0.787 7.464 -0.327 69 HA LEU 10 HA LEU 10 -0.015 5.324 1.315 70 HB2 LEU 10 HB2 LEU 10 -0.907 5.263 -1.059 71 HB3 LEU 10 HB1 LEU 10 0.709 5.684 -1.591 72 HG LEU 10 HG LEU 10 1.552 3.599 -0.510 73 HD11 LEU 10 HD11 LEU 10 -0.230 3.304 1.124 74 HD12 LEU 10 HD12 LEU 10 -0.060 1.875 0.108 75 HD13 LEU 10 HD13 LEU 10 -1.387 3.002 -0.171 76 HD21 LEU 10 HD21 LEU 10 1.093 3.670 -2.895 77 HD22 LEU 10 HD22 LEU 10 -0.597 3.256 -2.604 78 HD23 LEU 10 HD23 LEU 10 0.675 2.090 -2.237 79 H ARG 11 HN ARG 11 1.881 7.669 -0.518 80 HA ARG 11 HA ARG 11 4.439 6.674 -0.218 81 HB2 ARG 11 HB2 ARG 11 4.018 8.616 -1.580 82 HB3 ARG 11 HB1 ARG 11 3.464 9.535 -0.189 83 HG2 ARG 11 HG2 ARG 11 5.694 9.572 0.732 84 HG3 ARG 11 HG1 ARG 11 6.280 8.538 -0.572 85 HD2 ARG 11 HD2 ARG 11 6.836 10.916 -0.921 86 HD3 ARG 11 HD1 ARG 11 5.821 10.260 -2.205 87 HE ARG 11 HE ARG 11 3.932 11.355 -0.847 88 HH11 ARG 11 HH11 ARG 11 7.184 12.624 -1.093 89 HH12 ARG 11 HH12 ARG 11 6.693 14.282 -0.899 90 HH21 ARG 11 HH21 ARG 11 3.278 13.546 -0.618 91 HH22 ARG 11 HH22 ARG 11 4.474 14.799 -0.641 92 H ARG 12 HN ARG 12 2.526 8.505 2.122 93 HA ARG 12 HA ARG 12 4.690 8.667 4.012 94 HB2 ARG 12 HB2 ARG 12 1.752 9.313 4.184 95 HB3 ARG 12 HB1 ARG 12 2.841 9.473 5.556 96 HG2 ARG 12 HG2 ARG 12 3.462 10.821 2.961 97 HG3 ARG 12 HG1 ARG 12 2.319 11.536 4.099 98 HD2 ARG 12 HD2 ARG 12 4.626 12.394 4.353 99 HD3 ARG 12 HD1 ARG 12 3.997 11.637 5.810 100 HE ARG 12 HE ARG 12 5.376 9.645 4.560 101 HH11 ARG 12 HH11 ARG 12 6.178 12.890 5.567 102 HH12 ARG 12 HH12 ARG 12 7.832 12.502 5.962 103 HH21 ARG 12 HH21 ARG 12 7.536 9.113 5.110 104 HH22 ARG 12 HH22 ARG 12 8.591 10.337 5.743 105 H ALA 13 HN ALA 13 1.838 6.652 3.567 106 HA ALA 13 HA ALA 13 1.829 5.421 6.089 107 HB1 ALA 13 HB1 ALA 13 0.838 4.325 3.462 108 HB2 ALA 13 HB2 ALA 13 -0.073 5.356 4.566 109 HB3 ALA 13 HB3 ALA 13 0.399 3.731 5.064 110 H LEU 14 HN LEU 14 3.350 4.403 3.035 111 HA LEU 14 HA LEU 14 4.402 1.971 3.942 112 HB2 LEU 14 HB2 LEU 14 5.099 3.853 1.743 113 HB3 LEU 14 HB1 LEU 14 6.279 2.630 2.167 114 HG LEU 14 HG LEU 14 4.906 1.904 0.293 115 HD11 LEU 14 HD11 LEU 14 5.741 0.208 1.795 116 HD12 LEU 14 HD12 LEU 14 4.149 -0.244 1.186 117 HD13 LEU 14 HD13 LEU 14 4.320 0.385 2.826 118 HD21 LEU 14 HD21 LEU 14 2.892 3.169 0.774 119 HD22 LEU 14 HD22 LEU 14 2.579 2.163 2.188 120 HD23 LEU 14 HD23 LEU 14 2.524 1.457 0.571 121 H VAL 15 HN VAL 15 5.747 5.233 4.070 122 HA VAL 15 HA VAL 15 8.286 4.446 5.045 123 HB VAL 15 HB VAL 15 6.912 7.129 5.268 124 HG11 VAL 15 HG11 VAL 15 8.714 6.877 6.903 125 HG12 VAL 15 HG12 VAL 15 9.148 8.030 5.640 126 HG13 VAL 15 HG13 VAL 15 9.818 6.398 5.612 127 HG21 VAL 15 HG21 VAL 15 8.343 7.729 3.349 128 HG22 VAL 15 HG22 VAL 15 7.202 6.442 2.958 129 HG23 VAL 15 HG23 VAL 15 8.896 6.057 3.263 130 H GLU 16 HN GLU 16 5.283 5.429 6.645 131 HA GLU 16 HA GLU 16 6.305 5.713 9.233 132 HB2 GLU 16 HB2 GLU 16 3.565 4.814 8.340 133 HB3 GLU 16 HB1 GLU 16 3.974 5.255 9.991 134 HG2 GLU 16 HG2 GLU 16 4.538 7.515 9.237 135 HG3 GLU 16 HG1 GLU 16 4.100 7.066 7.591 136 H SER 17 HN SER 17 5.290 2.858 7.455 137 HA SER 17 HA SER 17 5.518 1.159 9.783 138 HB2 SER 17 HB2 SER 17 3.768 0.831 8.019 139 HB3 SER 17 HB1 SER 17 5.049 0.350 6.907 140 HG SER 17 HG SER 17 5.580 -1.300 8.482 141 H ALA 18 HN ALA 18 7.751 2.511 7.791 142 HA ALA 18 HA ALA 18 9.562 0.193 8.013 143 HB1 ALA 18 HB1 ALA 18 10.611 0.831 5.939 144 HB2 ALA 18 HB2 ALA 18 9.555 2.238 5.804 145 HB3 ALA 18 HB3 ALA 18 8.880 0.613 5.687 146 H GLY 19 HN GLY 19 9.825 3.668 7.265 147 HA2 GLY 19 HA2 GLY 19 10.879 5.154 8.911 148 HA3 GLY 19 HA1 GLY 19 11.988 3.835 9.268 149 H GLU 20 HN GLU 20 13.117 2.997 7.206 150 HA GLU 20 HA GLU 20 13.599 4.772 5.050 151 HB2 GLU 20 HB2 GLU 20 14.820 5.957 6.899 152 HB3 GLU 20 HB1 GLU 20 15.838 4.535 7.068 153 HG2 GLU 20 HG2 GLU 20 16.769 4.840 4.902 154 HG3 GLU 20 HG1 GLU 20 15.597 6.097 4.510 155 H THR 21 HN THR 21 13.663 3.199 3.558 156 HA THR 21 HA THR 21 15.225 0.783 4.189 157 HB THR 21 HB THR 21 12.759 0.724 2.501 158 HG1 THR 21 HG1 THR 21 11.519 0.445 4.292 159 HG21 THR 21 HG21 THR 21 14.205 -1.225 2.403 160 HG22 THR 21 HG22 THR 21 12.709 -1.630 3.243 161 HG23 THR 21 HG23 THR 21 14.187 -1.351 4.163 162 H ASP 22 HN ASP 22 16.676 2.429 2.945 163 HA ASP 22 HA ASP 22 18.134 2.577 1.212 164 HB2 ASP 22 HB2 ASP 22 18.021 0.124 1.172 165 HB3 ASP 22 HB1 ASP 22 16.622 0.199 0.107 166 H GLY 23 HN GLY 23 15.441 1.386 -0.752 167 HA2 GLY 23 HA2 GLY 23 15.746 3.795 -2.398 168 HA3 GLY 23 HA1 GLY 23 15.026 2.281 -2.921 169 H THR 24 HN THR 24 14.517 4.828 -0.502 170 HA THR 24 HA THR 24 11.645 4.360 -0.631 171 HB THR 24 HB THR 24 13.042 6.413 1.083 172 HG1 THR 24 HG1 THR 24 13.224 3.685 1.159 173 HG21 THR 24 HG21 THR 24 10.501 4.816 1.489 174 HG22 THR 24 HG22 THR 24 10.567 6.490 0.942 175 HG23 THR 24 HG23 THR 24 11.129 6.070 2.561 176 H ASP 25 HN ASP 25 12.689 5.253 -2.982 177 HA ASP 25 HA ASP 25 12.306 8.121 -3.224 178 HB2 ASP 25 HB2 ASP 25 12.888 6.013 -5.330 179 HB3 ASP 25 HB1 ASP 25 12.865 7.749 -5.611 180 H LEU 26 HN LEU 26 10.009 7.334 -2.300 181 HA LEU 26 HA LEU 26 8.203 6.343 -4.331 182 HB2 LEU 26 HB2 LEU 26 7.960 7.034 -1.431 183 HB3 LEU 26 HB1 LEU 26 6.515 6.855 -2.405 184 HG LEU 26 HG LEU 26 7.288 4.543 -2.994 185 HD11 LEU 26 HD11 LEU 26 9.300 5.023 -0.795 186 HD12 LEU 26 HD12 LEU 26 9.673 4.812 -2.506 187 HD13 LEU 26 HD13 LEU 26 8.973 3.482 -1.585 188 HD21 LEU 26 HD21 LEU 26 5.586 4.950 -1.311 189 HD22 LEU 26 HD22 LEU 26 6.832 5.152 -0.078 190 HD23 LEU 26 HD23 LEU 26 6.602 3.584 -0.851 191 H SER 27 HN SER 27 9.467 9.012 -4.697 192 HA SER 27 HA SER 27 7.190 10.819 -4.383 193 HB2 SER 27 HB2 SER 27 10.022 11.409 -5.274 194 HB3 SER 27 HB1 SER 27 8.771 12.604 -4.933 195 HG SER 27 HG SER 27 10.368 12.055 -3.203 196 H GLY 28 HN GLY 28 9.388 9.631 -6.917 197 HA2 GLY 28 HA2 GLY 28 7.965 11.095 -8.965 198 HA3 GLY 28 HA1 GLY 28 9.353 10.046 -9.202 199 H ASP 29 HN ASP 29 6.194 9.368 -7.761 200 HA ASP 29 HA ASP 29 4.529 7.930 -8.242 201 HB2 ASP 29 HB2 ASP 29 5.489 8.587 -11.002 202 HB3 ASP 29 HB1 ASP 29 4.193 7.413 -10.757 203 H PHE 30 HN PHE 30 4.763 6.051 -7.371 204 HA PHE 30 HA PHE 30 6.792 4.198 -8.432 205 HB2 PHE 30 HB2 PHE 30 6.815 3.244 -6.133 206 HB3 PHE 30 HB1 PHE 30 7.261 4.947 -6.160 207 HD1 PHE 30 HD2 PHE 30 5.504 6.659 -5.528 208 HD2 PHE 30 HD1 PHE 30 5.024 2.494 -4.829 209 HE1 PHE 30 HE2 PHE 30 3.756 7.147 -3.867 210 HE2 PHE 30 HE1 PHE 30 3.271 2.971 -3.172 211 HZ PHE 30 HZ PHE 30 2.639 5.305 -2.687 212 H LEU 31 HN LEU 31 3.592 4.669 -8.658 213 HA LEU 31 HA LEU 31 2.319 2.433 -7.651 214 HB2 LEU 31 HB2 LEU 31 1.659 4.038 -10.107 215 HB3 LEU 31 HB1 LEU 31 0.605 2.810 -9.433 216 HG LEU 31 HG LEU 31 1.397 5.442 -8.202 217 HD11 LEU 31 HD11 LEU 31 -1.023 5.781 -8.141 218 HD12 LEU 31 HD12 LEU 31 -1.261 4.205 -8.898 219 HD13 LEU 31 HD13 LEU 31 -0.449 5.495 -9.786 220 HD21 LEU 31 HD21 LEU 31 1.528 3.757 -6.460 221 HD22 LEU 31 HD22 LEU 31 -0.062 3.141 -6.909 222 HD23 LEU 31 HD23 LEU 31 0.101 4.763 -6.233 223 H ASP 32 HN ASP 32 4.104 2.698 -10.687 224 HA ASP 32 HA ASP 32 3.174 0.053 -11.485 225 HB2 ASP 32 HB2 ASP 32 4.675 2.236 -12.879 226 HB3 ASP 32 HB1 ASP 32 4.729 0.596 -13.516 227 H LEU 33 HN LEU 33 5.541 1.121 -9.507 228 HA LEU 33 HA LEU 33 7.500 -0.885 -10.323 229 HB2 LEU 33 HB2 LEU 33 7.521 1.073 -8.020 230 HB3 LEU 33 HB1 LEU 33 8.828 -0.029 -8.418 231 HG LEU 33 HG LEU 33 7.834 2.220 -10.174 232 HD11 LEU 33 HD11 LEU 33 9.975 3.269 -9.664 233 HD12 LEU 33 HD12 LEU 33 10.368 1.946 -8.566 234 HD13 LEU 33 HD13 LEU 33 9.018 3.022 -8.203 235 HD21 LEU 33 HD21 LEU 33 10.147 0.314 -10.526 236 HD22 LEU 33 HD22 LEU 33 9.797 1.707 -11.549 237 HD23 LEU 33 HD23 LEU 33 8.670 0.353 -11.488 238 H ARG 34 HN ARG 34 7.690 -2.847 -9.327 239 HA ARG 34 HA ARG 34 5.511 -3.690 -7.674 240 HB2 ARG 34 HB2 ARG 34 8.074 -5.126 -8.400 241 HB3 ARG 34 HB1 ARG 34 6.708 -5.861 -7.574 242 HG2 ARG 34 HG2 ARG 34 5.312 -5.332 -9.563 243 HG3 ARG 34 HG1 ARG 34 6.779 -4.783 -10.380 244 HD2 ARG 34 HD2 ARG 34 7.773 -7.023 -9.975 245 HD3 ARG 34 HD1 ARG 34 6.228 -7.551 -9.310 246 HE ARG 34 HE ARG 34 6.466 -6.577 -12.087 247 HH11 ARG 34 HH11 ARG 34 5.445 -9.016 -9.772 248 HH12 ARG 34 HH12 ARG 34 4.702 -10.026 -10.972 249 HH21 ARG 34 HH21 ARG 34 5.495 -7.910 -13.673 250 HH22 ARG 34 HH22 ARG 34 4.711 -9.381 -13.198 251 H PHE 35 HN PHE 35 5.839 -4.770 -5.558 252 HA PHE 35 HA PHE 35 7.166 -3.166 -3.700 253 HB2 PHE 35 HB2 PHE 35 6.344 -6.066 -3.438 254 HB3 PHE 35 HB1 PHE 35 6.816 -5.024 -2.099 255 HD1 PHE 35 HD2 PHE 35 5.514 -2.592 -2.366 256 HD2 PHE 35 HD1 PHE 35 4.070 -6.426 -3.524 257 HE1 PHE 35 HE2 PHE 35 3.200 -1.770 -2.190 258 HE2 PHE 35 HE1 PHE 35 1.760 -5.609 -3.355 259 HZ PHE 35 HZ PHE 35 1.318 -3.282 -2.693 260 H GLU 36 HN GLU 36 8.238 -5.899 -5.560 261 HA GLU 36 HA GLU 36 10.723 -6.419 -4.411 262 HB2 GLU 36 HB2 GLU 36 9.975 -6.446 -7.342 263 HB3 GLU 36 HB1 GLU 36 11.374 -7.241 -6.638 264 HG2 GLU 36 HG2 GLU 36 8.510 -7.877 -5.990 265 HG3 GLU 36 HG1 GLU 36 9.537 -8.791 -7.097 266 H ASP 37 HN ASP 37 9.674 -3.772 -6.449 267 HA ASP 37 HA ASP 37 12.346 -2.944 -7.156 268 HB2 ASP 37 HB2 ASP 37 9.639 -1.669 -7.584 269 HB3 ASP 37 HB1 ASP 37 11.143 -0.917 -8.094 270 H ILE 38 HN ILE 38 9.812 -1.903 -4.932 271 HA ILE 38 HA ILE 38 11.471 0.290 -3.995 272 HB ILE 38 HB ILE 38 9.541 0.819 -2.495 273 HG12 ILE 38 HG12 ILE 38 8.191 -1.402 -4.057 274 HG13 ILE 38 HG11 ILE 38 8.600 -1.456 -2.342 275 HG21 ILE 38 HG21 ILE 38 8.945 0.600 -5.446 276 HG22 ILE 38 HG22 ILE 38 9.830 1.904 -4.657 277 HG23 ILE 38 HG23 ILE 38 8.119 1.664 -4.305 278 HD11 ILE 38 HD11 ILE 38 6.231 -0.980 -2.742 279 HD12 ILE 38 HD12 ILE 38 6.682 0.489 -3.608 280 HD13 ILE 38 HD13 ILE 38 7.043 0.330 -1.888 281 H GLY 39 HN GLY 39 11.560 -2.860 -3.430 282 HA2 GLY 39 HA2 GLY 39 12.681 -4.084 -1.853 283 HA3 GLY 39 HA1 GLY 39 13.268 -2.560 -1.217 284 H TYR 40 HN TYR 40 9.955 -3.865 -1.365 285 HA TYR 40 HA TYR 40 9.905 -3.641 1.568 286 HB2 TYR 40 HB2 TYR 40 7.826 -3.085 -0.491 287 HB3 TYR 40 HB1 TYR 40 7.306 -3.675 1.086 288 HD1 TYR 40 HD1 TYR 40 8.937 -0.907 -0.698 289 HD2 TYR 40 HD2 TYR 40 7.520 -2.310 3.058 290 HE1 TYR 40 HE1 TYR 40 9.158 1.361 0.227 291 HE2 TYR 40 HE2 TYR 40 7.729 -0.048 3.989 292 HH TYR 40 HH TYR 40 8.233 2.698 2.057 293 H ASP 41 HN ASP 41 10.078 -5.444 2.565 294 HA ASP 41 HA ASP 41 9.739 -7.993 1.374 295 HB2 ASP 41 HB2 ASP 41 10.000 -7.249 4.296 296 HB3 ASP 41 HB1 ASP 41 10.160 -8.875 3.642 297 H SER 42 HN SER 42 8.401 -9.696 2.210 298 HA SER 42 HA SER 42 5.680 -9.371 2.206 299 HB2 SER 42 HB2 SER 42 5.716 -11.584 3.511 300 HB3 SER 42 HB1 SER 42 6.610 -11.549 1.986 301 H LEU 43 HN LEU 43 7.730 -9.721 5.079 302 HA LEU 43 HA LEU 43 5.766 -9.354 7.025 303 HB2 LEU 43 HB2 LEU 43 8.033 -10.210 7.461 304 HB3 LEU 43 HB1 LEU 43 8.692 -8.615 7.146 305 HG LEU 43 HG LEU 43 7.405 -7.748 9.095 306 HD11 LEU 43 HD11 LEU 43 5.641 -9.431 9.121 307 HD12 LEU 43 HD12 LEU 43 6.462 -9.345 10.679 308 HD13 LEU 43 HD13 LEU 43 6.816 -10.667 9.567 309 HD21 LEU 43 HD21 LEU 43 8.872 -8.731 10.784 310 HD22 LEU 43 HD22 LEU 43 9.752 -8.376 9.296 311 HD23 LEU 43 HD23 LEU 43 9.284 -10.035 9.668 312 H ALA 44 HN ALA 44 7.778 -6.971 5.337 313 HA ALA 44 HA ALA 44 6.990 -4.727 6.842 314 HB1 ALA 44 HB1 ALA 44 7.882 -4.860 3.964 315 HB2 ALA 44 HB2 ALA 44 8.932 -4.688 5.372 316 HB3 ALA 44 HB3 ALA 44 7.804 -3.399 4.950 317 H LEU 45 HN LEU 45 5.627 -6.282 4.007 318 HA LEU 45 HA LEU 45 3.709 -4.340 3.361 319 HB2 LEU 45 HB2 LEU 45 3.822 -7.306 2.860 320 HB3 LEU 45 HB1 LEU 45 2.538 -6.287 2.244 321 HG LEU 45 HG LEU 45 5.454 -5.871 1.608 322 HD11 LEU 45 HD11 LEU 45 3.299 -7.216 -0.018 323 HD12 LEU 45 HD12 LEU 45 4.706 -7.998 0.703 324 HD13 LEU 45 HD13 LEU 45 4.922 -6.815 -0.586 325 HD21 LEU 45 HD21 LEU 45 4.599 -4.396 -0.125 326 HD22 LEU 45 HD22 LEU 45 4.044 -3.869 1.466 327 HD23 LEU 45 HD23 LEU 45 2.944 -4.729 0.384 328 H MET 46 HN MET 46 3.447 -7.287 5.367 329 HA MET 46 HA MET 46 0.680 -6.969 5.865 330 HB2 MET 46 HB2 MET 46 0.904 -8.664 7.557 331 HB3 MET 46 HB1 MET 46 1.885 -9.114 6.170 332 HG2 MET 46 HG2 MET 46 3.885 -8.340 7.339 333 HG3 MET 46 HG1 MET 46 2.897 -7.889 8.727 334 HE1 MET 46 HE1 MET 46 1.563 -9.661 10.228 335 HE2 MET 46 HE2 MET 46 1.553 -11.395 9.898 336 HE3 MET 46 HE3 MET 46 0.778 -10.277 8.773 337 H GLU 47 HN GLU 47 3.535 -5.772 7.567 338 HA GLU 47 HA GLU 47 2.118 -4.651 9.750 339 HB2 GLU 47 HB2 GLU 47 4.749 -3.826 8.514 340 HB3 GLU 47 HB1 GLU 47 4.121 -3.208 10.034 341 HG2 GLU 47 HG2 GLU 47 4.852 -6.074 9.456 342 HG3 GLU 47 HG1 GLU 47 5.805 -4.921 10.388 343 H THR 48 HN THR 48 3.090 -3.392 6.584 344 HA THR 48 HA THR 48 2.189 -0.754 6.941 345 HB THR 48 HB THR 48 2.367 -2.291 4.341 346 HG1 THR 48 HG1 THR 48 4.354 -2.273 5.507 347 HG21 THR 48 HG21 THR 48 2.445 0.673 4.924 348 HG22 THR 48 HG22 THR 48 1.120 -0.195 4.148 349 HG23 THR 48 HG23 THR 48 2.685 -0.072 3.343 350 H ALA 49 HN ALA 49 0.527 -3.666 5.869 351 HA ALA 49 HA ALA 49 -1.778 -2.574 4.782 352 HB1 ALA 49 HB1 ALA 49 -1.611 -5.097 6.414 353 HB2 ALA 49 HB2 ALA 49 -1.178 -4.961 4.709 354 HB3 ALA 49 HB3 ALA 49 -2.845 -4.690 5.221 355 H ALA 50 HN ALA 50 -0.970 -3.157 8.157 356 HA ALA 50 HA ALA 50 -3.545 -2.802 9.244 357 HB1 ALA 50 HB1 ALA 50 -2.383 -2.505 11.387 358 HB2 ALA 50 HB2 ALA 50 -0.848 -2.363 10.528 359 HB3 ALA 50 HB3 ALA 50 -1.747 -3.879 10.483 360 H ARG 51 HN ARG 51 -1.069 -0.573 8.281 361 HA ARG 51 HA ARG 51 -1.996 1.675 9.747 362 HB2 ARG 51 HB2 ARG 51 -0.477 1.931 7.172 363 HB3 ARG 51 HB1 ARG 51 -0.358 2.899 8.627 364 HG2 ARG 51 HG2 ARG 51 0.647 0.084 8.309 365 HG3 ARG 51 HG1 ARG 51 1.633 1.546 8.285 366 HD2 ARG 51 HD2 ARG 51 1.229 1.970 10.572 367 HD3 ARG 51 HD1 ARG 51 -0.099 0.806 10.628 368 HE ARG 51 HE ARG 51 2.195 -0.572 9.875 369 HH11 ARG 51 HH11 ARG 51 1.026 1.172 12.676 370 HH12 ARG 51 HH12 ARG 51 1.888 0.171 13.810 371 HH21 ARG 51 HH21 ARG 51 3.316 -1.885 11.342 372 HH22 ARG 51 HH22 ARG 51 3.193 -1.582 13.049 373 H LEU 52 HN LEU 52 -2.448 0.494 6.457 374 HA LEU 52 HA LEU 52 -3.969 2.712 5.536 375 HB2 LEU 52 HB2 LEU 52 -4.029 -0.109 4.462 376 HB3 LEU 52 HB1 LEU 52 -4.454 1.361 3.607 377 HG LEU 52 HG LEU 52 -1.678 0.629 4.535 378 HD11 LEU 52 HD11 LEU 52 -2.899 0.625 1.780 379 HD12 LEU 52 HD12 LEU 52 -2.440 -0.795 2.717 380 HD13 LEU 52 HD13 LEU 52 -1.201 0.325 2.149 381 HD21 LEU 52 HD21 LEU 52 -2.639 2.937 2.846 382 HD22 LEU 52 HD22 LEU 52 -0.958 2.552 3.218 383 HD23 LEU 52 HD23 LEU 52 -2.055 3.044 4.507 384 H GLU 53 HN GLU 53 -4.836 -0.532 6.681 385 HA GLU 53 HA GLU 53 -7.584 -0.372 6.260 386 HB2 GLU 53 HB2 GLU 53 -6.053 -1.910 8.369 387 HB3 GLU 53 HB1 GLU 53 -7.761 -2.138 8.025 388 HG2 GLU 53 HG2 GLU 53 -7.235 -2.830 5.757 389 HG3 GLU 53 HG1 GLU 53 -5.521 -2.562 6.061 390 H SER 54 HN SER 54 -5.747 0.371 9.221 391 HA SER 54 HA SER 54 -8.031 1.061 10.732 392 HB2 SER 54 HB2 SER 54 -5.790 0.388 11.655 393 HB3 SER 54 HB1 SER 54 -5.193 1.989 11.215 394 HG SER 54 HG SER 54 -7.096 2.736 12.537 395 H ARG 55 HN ARG 55 -5.758 3.012 8.816 396 HA ARG 55 HA ARG 55 -6.720 5.503 9.796 397 HB2 ARG 55 HB2 ARG 55 -4.467 5.303 8.907 398 HB3 ARG 55 HB1 ARG 55 -5.101 4.866 7.326 399 HG2 ARG 55 HG2 ARG 55 -6.023 7.056 7.014 400 HG3 ARG 55 HG1 ARG 55 -5.604 7.517 8.664 401 HD2 ARG 55 HD2 ARG 55 -3.628 6.774 6.508 402 HD3 ARG 55 HD1 ARG 55 -4.025 8.420 6.994 403 HE ARG 55 HE ARG 55 -3.267 7.283 9.319 404 HH11 ARG 55 HH11 ARG 55 -1.727 7.443 6.155 405 HH12 ARG 55 HH12 ARG 55 -0.115 7.388 6.808 406 HH21 ARG 55 HH21 ARG 55 -1.150 7.217 10.148 407 HH22 ARG 55 HH22 ARG 55 0.217 7.255 9.066 408 H TYR 56 HN TYR 56 -7.317 3.729 6.761 409 HA TYR 56 HA TYR 56 -9.110 5.876 5.922 410 HB2 TYR 56 HB2 TYR 56 -8.142 3.460 4.372 411 HB3 TYR 56 HB1 TYR 56 -9.048 4.824 3.715 412 HD1 TYR 56 HD2 TYR 56 -7.985 7.018 3.458 413 HD2 TYR 56 HD1 TYR 56 -5.772 3.666 4.866 414 HE1 TYR 56 HE2 TYR 56 -5.891 8.201 2.964 415 HE2 TYR 56 HE1 TYR 56 -3.666 4.843 4.364 416 HH TYR 56 HH TYR 56 -2.770 6.611 3.201 417 H GLY 57 HN GLY 57 -9.451 3.339 7.818 418 HA2 GLY 57 HA2 GLY 57 -11.314 2.289 8.644 419 HA3 GLY 57 HA1 GLY 57 -12.273 3.369 7.645 420 H VAL 58 HN VAL 58 -9.891 0.884 6.760 421 HA VAL 58 HA VAL 58 -12.027 -0.432 5.220 422 HB VAL 58 HB VAL 58 -10.456 -0.898 3.405 423 HG11 VAL 58 HG11 VAL 58 -10.238 1.362 2.497 424 HG12 VAL 58 HG12 VAL 58 -10.606 2.027 4.088 425 HG13 VAL 58 HG13 VAL 58 -11.822 1.088 3.221 426 HG21 VAL 58 HG21 VAL 58 -8.374 -0.936 4.625 427 HG22 VAL 58 HG22 VAL 58 -8.518 0.783 4.989 428 HG23 VAL 58 HG23 VAL 58 -8.272 0.252 3.325 429 H SER 59 HN SER 59 -10.983 -2.590 4.300 430 HA SER 59 HA SER 59 -9.064 -3.798 6.080 431 HB2 SER 59 HB2 SER 59 -10.549 -5.839 6.319 432 HB3 SER 59 HB1 SER 59 -11.066 -4.430 7.241 433 HG SER 59 HG SER 59 -12.765 -5.510 6.068 434 H ILE 60 HN ILE 60 -7.793 -5.230 4.999 435 HA ILE 60 HA ILE 60 -8.254 -5.369 2.122 436 HB ILE 60 HB ILE 60 -5.817 -6.210 3.706 437 HG12 ILE 60 HG12 ILE 60 -6.343 -3.700 2.092 438 HG13 ILE 60 HG11 ILE 60 -6.285 -3.792 3.851 439 HG21 ILE 60 HG21 ILE 60 -6.007 -7.374 1.571 440 HG22 ILE 60 HG22 ILE 60 -4.671 -6.223 1.539 441 HG23 ILE 60 HG23 ILE 60 -6.194 -5.834 0.736 442 HD11 ILE 60 HD11 ILE 60 -4.232 -2.888 2.944 443 HD12 ILE 60 HD12 ILE 60 -3.997 -4.346 1.979 444 HD13 ILE 60 HD13 ILE 60 -3.939 -4.434 3.740 445 HA PRO 61 HA PRO 61 -10.113 -9.427 2.574 446 HB2 PRO 61 HB2 PRO 61 -9.429 -9.458 -0.324 447 HB3 PRO 61 HB1 PRO 61 -10.960 -9.831 0.475 448 HG2 PRO 61 HG2 PRO 61 -10.643 -7.523 -0.810 449 HG3 PRO 61 HG1 PRO 61 -11.530 -7.599 0.725 450 HD2 PRO 61 HD2 PRO 61 -8.763 -6.617 0.180 451 HD3 PRO 61 HD1 PRO 61 -9.977 -5.994 1.314 452 H ASP 62 HN ASP 62 -9.144 -11.219 3.189 453 HA ASP 62 HA ASP 62 -6.359 -11.522 3.113 454 HB2 ASP 62 HB2 ASP 62 -6.796 -13.787 4.065 455 HB3 ASP 62 HB1 ASP 62 -7.598 -12.478 4.926 456 H ASP 63 HN ASP 63 -8.766 -12.479 0.838 457 HA ASP 63 HA ASP 63 -7.133 -14.452 -0.473 458 HB2 ASP 63 HB2 ASP 63 -9.688 -13.036 -1.176 459 HB3 ASP 63 HB1 ASP 63 -8.827 -13.958 -2.402 460 H VAL 64 HN VAL 64 -8.064 -11.105 -1.208 461 HA VAL 64 HA VAL 64 -6.468 -11.027 -3.584 462 HB VAL 64 HB VAL 64 -7.689 -8.670 -2.140 463 HG11 VAL 64 HG11 VAL 64 -7.747 -7.645 -4.359 464 HG12 VAL 64 HG12 VAL 64 -6.956 -9.068 -5.038 465 HG13 VAL 64 HG13 VAL 64 -6.102 -8.053 -3.873 466 HG21 VAL 64 HG21 VAL 64 -8.966 -10.445 -4.220 467 HG22 VAL 64 HG22 VAL 64 -9.665 -8.979 -3.531 468 HG23 VAL 64 HG23 VAL 64 -9.388 -10.389 -2.509 469 H ALA 65 HN ALA 65 -5.859 -10.458 -0.264 470 HA ALA 65 HA ALA 65 -3.914 -8.451 -0.355 471 HB1 ALA 65 HB1 ALA 65 -3.205 -9.245 1.830 472 HB2 ALA 65 HB2 ALA 65 -4.089 -10.752 1.584 473 HB3 ALA 65 HB3 ALA 65 -4.965 -9.227 1.718 474 H GLY 66 HN GLY 66 -3.630 -11.919 -0.769 475 HA2 GLY 66 HA2 GLY 66 -0.744 -11.613 -1.216 476 HA3 GLY 66 HA1 GLY 66 -1.580 -13.134 -0.933 477 H ARG 67 HN ARG 67 -2.560 -10.614 -3.195 478 HA ARG 67 HA ARG 67 -1.738 -12.253 -5.480 479 HB2 ARG 67 HB2 ARG 67 -4.579 -11.463 -4.819 480 HB3 ARG 67 HB1 ARG 67 -4.083 -11.861 -6.459 481 HG2 ARG 67 HG2 ARG 67 -3.615 -14.080 -5.901 482 HG3 ARG 67 HG1 ARG 67 -3.599 -13.734 -4.174 483 HD2 ARG 67 HD2 ARG 67 -5.622 -14.923 -4.768 484 HD3 ARG 67 HD1 ARG 67 -6.004 -13.285 -4.246 485 HE ARG 67 HE ARG 67 -5.933 -12.958 -6.888 486 HH11 ARG 67 HH11 ARG 67 -7.332 -15.565 -5.014 487 HH12 ARG 67 HH12 ARG 67 -8.677 -15.796 -6.091 488 HH21 ARG 67 HH21 ARG 67 -7.694 -13.262 -8.322 489 HH22 ARG 67 HH22 ARG 67 -8.889 -14.477 -7.968 490 H VAL 68 HN VAL 68 -0.588 -9.879 -4.635 491 HA VAL 68 HA VAL 68 -1.215 -8.146 -6.903 492 HB VAL 68 HB VAL 68 -0.912 -6.104 -5.508 493 HG11 VAL 68 HG11 VAL 68 -3.153 -6.866 -6.141 494 HG12 VAL 68 HG12 VAL 68 -3.151 -6.069 -4.568 495 HG13 VAL 68 HG13 VAL 68 -3.238 -7.828 -4.664 496 HG21 VAL 68 HG21 VAL 68 -1.110 -6.232 -3.095 497 HG22 VAL 68 HG22 VAL 68 0.278 -7.174 -3.638 498 HG23 VAL 68 HG23 VAL 68 -1.212 -7.992 -3.174 499 H ASP 69 HN ASP 69 0.535 -6.491 -7.247 500 HA ASP 69 HA ASP 69 3.148 -7.343 -6.202 501 HB2 ASP 69 HB2 ASP 69 2.284 -7.285 -9.061 502 HB3 ASP 69 HB1 ASP 69 3.932 -6.795 -8.680 503 H THR 70 HN THR 70 1.302 -4.947 -8.023 504 HA THR 70 HA THR 70 3.332 -2.932 -7.325 505 HB THR 70 HB THR 70 2.336 -1.559 -9.132 506 HG1 THR 70 HG1 THR 70 0.694 -3.880 -9.442 507 HG21 THR 70 HG21 THR 70 3.153 -2.905 -11.015 508 HG22 THR 70 HG22 THR 70 3.150 -4.345 -9.997 509 HG23 THR 70 HG23 THR 70 4.248 -3.012 -9.636 510 HA PRO 71 HA PRO 71 0.531 -0.691 -4.652 511 HB2 PRO 71 HB2 PRO 71 1.674 1.698 -5.992 512 HB3 PRO 71 HB1 PRO 71 1.569 1.308 -4.273 513 HG2 PRO 71 HG2 PRO 71 3.893 1.142 -5.568 514 HG3 PRO 71 HG1 PRO 71 3.453 -0.040 -4.321 515 HD2 PRO 71 HD2 PRO 71 3.415 -0.310 -7.297 516 HD3 PRO 71 HD1 PRO 71 3.859 -1.504 -6.059 517 H ARG 72 HN ARG 72 0.797 -0.066 -8.107 518 HA ARG 72 HA ARG 72 -1.470 1.476 -8.553 519 HB2 ARG 72 HB2 ARG 72 0.085 0.940 -10.335 520 HB3 ARG 72 HB1 ARG 72 -0.317 -0.761 -10.225 521 HG2 ARG 72 HG2 ARG 72 -1.373 0.173 -12.160 522 HG3 ARG 72 HG1 ARG 72 -2.610 -0.239 -10.976 523 HD2 ARG 72 HD2 ARG 72 -1.483 2.538 -11.258 524 HD3 ARG 72 HD1 ARG 72 -2.873 1.977 -12.180 525 HE ARG 72 HE ARG 72 -2.856 1.955 -9.234 526 HH11 ARG 72 HH11 ARG 72 -4.398 2.952 -12.248 527 HH12 ARG 72 HH12 ARG 72 -5.867 3.432 -11.454 528 HH21 ARG 72 HH21 ARG 72 -4.762 2.647 -8.226 529 HH22 ARG 72 HH22 ARG 72 -6.071 3.280 -9.175 530 H GLU 73 HN GLU 73 -1.195 -2.049 -8.586 531 HA GLU 73 HA GLU 73 -3.944 -2.600 -8.859 532 HB2 GLU 73 HB2 GLU 73 -1.780 -4.325 -7.627 533 HB3 GLU 73 HB1 GLU 73 -3.334 -4.888 -8.227 534 HG2 GLU 73 HG2 GLU 73 -2.742 -4.571 -10.444 535 HG3 GLU 73 HG1 GLU 73 -1.443 -3.450 -10.041 536 H LEU 74 HN LEU 74 -1.827 -2.500 -6.028 537 HA LEU 74 HA LEU 74 -3.666 -3.284 -4.083 538 HB2 LEU 74 HB2 LEU 74 -1.097 -2.902 -4.004 539 HB3 LEU 74 HB1 LEU 74 -1.509 -1.258 -3.573 540 HG LEU 74 HG LEU 74 -0.944 -2.755 -1.648 541 HD11 LEU 74 HD11 LEU 74 -2.732 -1.967 -0.211 542 HD12 LEU 74 HD12 LEU 74 -3.723 -1.596 -1.621 543 HD13 LEU 74 HD13 LEU 74 -2.227 -0.705 -1.337 544 HD21 LEU 74 HD21 LEU 74 -2.628 -4.352 -0.881 545 HD22 LEU 74 HD22 LEU 74 -1.989 -4.798 -2.462 546 HD23 LEU 74 HD23 LEU 74 -3.580 -4.050 -2.333 547 H LEU 75 HN LEU 75 -2.750 -0.006 -5.111 548 HA LEU 75 HA LEU 75 -4.447 1.430 -3.415 549 HB2 LEU 75 HB2 LEU 75 -2.577 2.392 -4.719 550 HB3 LEU 75 HB1 LEU 75 -3.503 2.164 -6.188 551 HG LEU 75 HG LEU 75 -5.226 3.733 -5.258 552 HD11 LEU 75 HD11 LEU 75 -4.555 5.200 -3.425 553 HD12 LEU 75 HD12 LEU 75 -3.090 4.245 -3.197 554 HD13 LEU 75 HD13 LEU 75 -4.671 3.520 -2.902 555 HD21 LEU 75 HD21 LEU 75 -2.433 4.821 -5.601 556 HD22 LEU 75 HD22 LEU 75 -3.925 5.749 -5.739 557 HD23 LEU 75 HD23 LEU 75 -3.575 4.465 -6.897 558 H ASP 76 HN ASP 76 -4.982 0.153 -6.664 559 HA ASP 76 HA ASP 76 -7.458 1.457 -7.115 560 HB2 ASP 76 HB2 ASP 76 -5.962 0.512 -8.888 561 HB3 ASP 76 HB1 ASP 76 -6.469 -1.099 -8.390 562 H LEU 77 HN LEU 77 -6.586 -1.675 -5.783 563 HA LEU 77 HA LEU 77 -9.154 -2.813 -5.706 564 HB2 LEU 77 HB2 LEU 77 -6.968 -4.000 -5.369 565 HB3 LEU 77 HB1 LEU 77 -6.869 -3.280 -3.780 566 HG LEU 77 HG LEU 77 -7.643 -5.698 -3.907 567 HD11 LEU 77 HD11 LEU 77 -7.926 -4.351 -1.896 568 HD12 LEU 77 HD12 LEU 77 -9.289 -5.445 -2.134 569 HD13 LEU 77 HD13 LEU 77 -9.456 -3.733 -2.521 570 HD21 LEU 77 HD21 LEU 77 -9.133 -5.500 -5.811 571 HD22 LEU 77 HD22 LEU 77 -10.161 -4.382 -4.915 572 HD23 LEU 77 HD23 LEU 77 -10.018 -6.059 -4.392 573 H ILE 78 HN ILE 78 -7.333 -1.044 -3.203 574 HA ILE 78 HA ILE 78 -9.375 -1.122 -1.257 575 HB ILE 78 HB ILE 78 -7.161 0.914 -1.556 576 HG12 ILE 78 HG12 ILE 78 -7.278 -1.699 -0.023 577 HG13 ILE 78 HG11 ILE 78 -6.300 -1.378 -1.450 578 HG21 ILE 78 HG21 ILE 78 -8.951 1.647 -0.052 579 HG22 ILE 78 HG22 ILE 78 -7.466 1.303 0.836 580 HG23 ILE 78 HG23 ILE 78 -8.798 0.145 0.861 581 HD11 ILE 78 HD11 ILE 78 -4.919 -1.299 0.504 582 HD12 ILE 78 HD12 ILE 78 -5.991 -0.123 1.265 583 HD13 ILE 78 HD13 ILE 78 -5.062 0.327 -0.166 584 H ASN 79 HN ASN 79 -8.476 1.382 -3.618 585 HA ASN 79 HA ASN 79 -10.420 3.271 -2.890 586 HB2 ASN 79 HB2 ASN 79 -8.641 2.818 -5.188 587 HB3 ASN 79 HB1 ASN 79 -10.116 3.696 -5.577 588 HD21 ASN 79 HD21 ASN 79 -7.155 3.740 -3.749 589 HD22 ASN 79 HD22 ASN 79 -7.176 5.430 -3.378 590 H GLY 80 HN GLY 80 -10.555 0.519 -5.106 591 HA2 GLY 80 HA2 GLY 80 -13.092 1.084 -6.226 592 HA3 GLY 80 HA1 GLY 80 -12.313 -0.490 -6.184 593 H ALA 81 HN ALA 81 -12.111 -0.702 -3.352 594 HA ALA 81 HA ALA 81 -14.713 -1.709 -2.770 595 HB1 ALA 81 HB1 ALA 81 -12.329 -1.344 -0.954 596 HB2 ALA 81 HB2 ALA 81 -12.708 -2.783 -1.902 597 HB3 ALA 81 HB3 ALA 81 -13.770 -2.290 -0.584 598 H LEU 82 HN LEU 82 -13.023 1.248 -2.070 599 HA LEU 82 HA LEU 82 -14.790 2.155 -0.012 600 HB2 LEU 82 HB2 LEU 82 -12.732 3.532 -1.723 601 HB3 LEU 82 HB1 LEU 82 -13.716 4.408 -0.568 602 HG LEU 82 HG LEU 82 -11.884 2.122 0.144 603 HD11 LEU 82 HD11 LEU 82 -11.491 5.094 0.486 604 HD12 LEU 82 HD12 LEU 82 -10.611 4.054 -0.636 605 HD13 LEU 82 HD13 LEU 82 -10.427 3.829 1.104 606 HD21 LEU 82 HD21 LEU 82 -13.395 4.092 1.853 607 HD22 LEU 82 HD22 LEU 82 -12.282 2.854 2.438 608 HD23 LEU 82 HD23 LEU 82 -13.787 2.386 1.646 609 H ALA 83 HN ALA 83 -14.957 2.057 -3.427 610 HA ALA 83 HA ALA 83 -16.580 4.316 -3.910 611 HB1 ALA 83 HB1 ALA 83 -16.385 1.752 -5.482 612 HB2 ALA 83 HB2 ALA 83 -15.373 3.182 -5.689 613 HB3 ALA 83 HB3 ALA 83 -17.097 3.262 -6.052 614 H GLU 84 HN GLU 84 -17.333 1.139 -2.675 615 HA GLU 84 HA GLU 84 -20.199 1.715 -2.936 616 HB2 GLU 84 HB2 GLU 84 -20.576 -0.613 -2.311 617 HB3 GLU 84 HB1 GLU 84 -19.491 -0.499 -3.687 618 HG2 GLU 84 HG2 GLU 84 -17.586 -0.930 -2.257 619 HG3 GLU 84 HG1 GLU 84 -18.634 -0.960 -0.838 620 H ALA 85 HN ALA 85 -17.913 2.562 -0.905 621 HA ALA 85 HA ALA 85 -19.327 1.943 1.579 622 HB1 ALA 85 HB1 ALA 85 -16.693 3.355 1.143 623 HB2 ALA 85 HB2 ALA 85 -16.899 1.654 1.561 624 HB3 ALA 85 HB3 ALA 85 -17.382 2.907 2.704 625 H ALA 86 HN ALA 86 -19.523 4.156 -0.801 626 HA ALA 86 HA ALA 86 -20.044 6.453 0.924 627 HB1 ALA 86 HB1 ALA 86 -20.071 6.270 -2.095 628 HB2 ALA 86 HB2 ALA 86 -18.718 6.834 -1.113 629 HB3 ALA 86 HB3 ALA 86 -20.229 7.741 -1.139 630 H28 SXO 87 H28B SXO 87 6.428 -12.127 5.740 631 H28A SXO 87 H28A SXO 87 7.433 -13.355 6.517 632 H30 SXO 87 H30A SXO 87 3.841 -13.431 7.745 633 H30A SXO 87 H30C SXO 87 5.468 -12.969 8.242 634 H30B SXO 87 H30B SXO 87 4.619 -12.023 7.018 635 H31 SXO 87 H31A SXO 87 3.480 -14.573 5.533 636 H31A SXO 87 H31B SXO 87 4.812 -14.614 4.375 637 H31B SXO 87 H31C SXO 87 4.076 -13.075 4.817 638 H32 SXO 87 H32A SXO 87 6.190 -15.181 7.869 639 HO33 SXO 87 H33A SXO 87 6.176 -16.714 5.603 640 HN36 SXO 87 H36A SXO 87 3.704 -14.913 8.369 641 H37 SXO 87 H37A SXO 87 2.453 -17.523 7.985 642 H37A SXO 87 H37B SXO 87 2.012 -16.304 9.183 643 H38 SXO 87 H38B SXO 87 0.307 -16.600 7.424 644 H38A SXO 87 H38A SXO 87 1.490 -16.097 6.222 645 HN41 SXO 87 H41A SXO 87 0.043 -14.485 5.633 646 H42 SXO 87 H42A SXO 87 -1.195 -12.520 7.025 647 H42A SXO 87 H42B SXO 87 0.467 -11.939 6.891 648 H43 SXO 87 H43B SXO 87 -1.147 -12.823 4.501 649 H43A SXO 87 H43A SXO 87 -1.124 -11.151 5.094 650 H2 SXO 87 H2A SXO 87 0.581 -10.570 0.750 651 H2A SXO 87 H2B SXO 87 2.032 -10.812 1.726 652 H3 SXO 87 H3B SXO 87 1.305 -9.067 3.263 653 H3A SXO 87 H3A SXO 87 1.398 -8.450 1.611 654 H4 SXO 87 H4A SXO 87 -1.106 -9.292 3.084 655 H4A SXO 87 H4B SXO 87 -1.049 -8.780 1.395 656 H5 SXO 87 H5B SXO 87 -1.747 -6.985 2.989 657 H5A SXO 87 H5A SXO 87 -0.139 -7.068 3.703 658 H6 SXO 87 H6A SXO 87 -0.715 -6.441 0.810 659 H6A SXO 87 H6B SXO 87 0.872 -6.455 1.583 660 H7 SXO 87 H7A SXO 87 0.185 -4.615 3.049 661 H7A SXO 87 H7B SXO 87 -1.416 -4.604 2.290 662 H8 SXO 87 H8C SXO 87 0.030 -2.859 1.369 663 H8A SXO 87 H8A SXO 87 -0.390 -4.054 0.145 664 H8B SXO 87 H8B SXO 87 1.207 -4.082 0.894
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