NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
529758 | 2lcs | 17629 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET -4 H MET -4 1.808 0.000 0.855 2 HA MET -4 HA MET -4 1.652 0.731 -1.903 3 HB2 MET -4 2HB MET -4 4.009 -0.386 -0.376 4 HB3 MET -4 3HB MET -4 4.069 0.464 -1.914 5 HG2 MET -4 2HG MET -4 3.112 1.670 0.671 6 HG3 MET -4 3HG MET -4 4.738 1.849 0.016 7 HE1 MET -4 3HE MET -4 2.255 4.904 0.078 8 HE2 MET -4 1HE MET -4 3.501 4.016 0.957 9 HE3 MET -4 2HE MET -4 3.958 5.159 -0.306 10 H ALA -3 H ALA -3 0.096 -1.120 -2.328 11 HA ALA -3 HA ALA -3 1.201 -3.764 -2.514 12 HB1 ALA -3 1HB ALA -3 -1.088 -3.774 -2.133 13 HB2 ALA -3 2HB ALA -3 -1.394 -2.513 -3.328 14 HB3 ALA -3 3HB ALA -3 -0.972 -4.142 -3.854 15 H ILE -2 H ILE -2 3.099 -2.902 -3.795 16 HA ILE -2 HA ILE -2 2.463 -3.070 -6.665 17 HB ILE -2 HB ILE -2 4.632 -1.345 -5.464 18 HG12 ILE -2 2HG1 ILE -2 2.068 -0.480 -6.815 19 HG13 ILE -2 3HG1 ILE -2 2.294 -0.522 -5.069 20 HG21 ILE -2 1HG2 ILE -2 5.090 -2.322 -7.711 21 HG22 ILE -2 2HG2 ILE -2 3.659 -1.486 -8.312 22 HG23 ILE -2 3HG2 ILE -2 5.026 -0.560 -7.691 23 HD11 ILE -2 3HD1 ILE -2 4.432 0.939 -6.277 24 HD12 ILE -2 1HD1 ILE -2 2.883 1.568 -6.837 25 HD13 ILE -2 2HD1 ILE -2 3.227 1.479 -5.109 26 H VAL -1 H VAL -1 3.693 -4.429 -7.854 27 HA VAL -1 HA VAL -1 5.761 -5.942 -6.415 28 HB VAL -1 HB VAL -1 4.286 -6.695 -8.942 29 HG11 VAL -1 1HG1 VAL -1 5.226 -9.001 -8.202 30 HG12 VAL -1 2HG1 VAL -1 6.276 -7.870 -9.057 31 HG13 VAL -1 3HG1 VAL -1 6.399 -8.036 -7.305 32 HG21 VAL -1 3HG2 VAL -1 3.266 -8.431 -7.370 33 HG22 VAL -1 1HG2 VAL -1 3.841 -7.403 -6.058 34 HG23 VAL -1 2HG2 VAL -1 2.683 -6.773 -7.230 35 H ASN 1 H ASN 1 5.173 -3.947 -9.208 36 HA ASN 1 HA ASN 1 6.560 -2.983 -10.731 37 HB2 ASN 1 2HB ASN 1 8.838 -3.838 -8.939 38 HB3 ASN 1 3HB ASN 1 8.819 -2.502 -10.087 39 HD21 ASN 1 1HD2 ASN 1 7.227 -0.775 -9.643 40 HD22 ASN 1 2HD2 ASN 1 6.944 -0.344 -7.994 41 H GLN 2 H GLN 2 5.731 -5.326 -11.581 42 HA GLN 2 HA GLN 2 8.112 -6.787 -12.506 43 HB2 GLN 2 2HB GLN 2 6.350 -8.056 -11.229 44 HB3 GLN 2 3HB GLN 2 5.249 -7.744 -12.564 45 HG2 GLN 2 2HG GLN 2 6.206 -9.963 -12.728 46 HG3 GLN 2 3HG GLN 2 6.727 -8.954 -14.077 47 HE21 GLN 2 1HE2 GLN 2 8.471 -10.407 -14.385 48 HE22 GLN 2 2HE2 GLN 2 9.874 -10.331 -13.379 49 H ARG 3 H ARG 3 8.697 -6.570 -14.557 50 HA ARG 3 HA ARG 3 7.145 -4.997 -16.374 51 HB2 ARG 3 2HB ARG 3 8.982 -5.162 -17.857 52 HB3 ARG 3 3HB ARG 3 9.678 -5.083 -16.245 53 HG2 ARG 3 2HG ARG 3 9.464 -7.756 -16.557 54 HG3 ARG 3 3HG ARG 3 9.733 -7.248 -18.226 55 HD2 ARG 3 2HD ARG 3 11.749 -6.069 -17.568 56 HD3 ARG 3 3HD ARG 3 11.461 -6.478 -15.877 57 HE ARG 3 HE ARG 3 11.561 -8.895 -17.075 58 HH11 ARG 3 1HH1 ARG 3 13.672 -6.127 -17.124 59 HH12 ARG 3 2HH1 ARG 3 15.110 -7.064 -17.363 60 HH21 ARG 3 1HH2 ARG 3 13.446 -10.140 -17.389 61 HH22 ARG 3 2HH2 ARG 3 14.980 -9.346 -17.515 62 H ALA 4 H ALA 4 6.606 -5.728 -18.583 63 HA ALA 4 HA ALA 4 6.233 -8.556 -19.016 64 HB1 ALA 4 1HB ALA 4 3.645 -7.606 -19.466 65 HB2 ALA 4 2HB ALA 4 4.175 -8.709 -18.195 66 HB3 ALA 4 3HB ALA 4 4.111 -6.973 -17.887 67 H VAL 5 H VAL 5 5.515 -9.053 -21.164 68 HA VAL 5 HA VAL 5 6.057 -6.863 -23.047 69 HB VAL 5 HB VAL 5 7.500 -8.892 -23.178 70 HG11 VAL 5 1HG1 VAL 5 5.136 -10.271 -22.876 71 HG12 VAL 5 2HG1 VAL 5 5.524 -10.503 -24.582 72 HG13 VAL 5 3HG1 VAL 5 6.689 -10.966 -23.340 73 HG21 VAL 5 3HG2 VAL 5 7.416 -9.083 -25.598 74 HG22 VAL 5 1HG2 VAL 5 5.787 -8.406 -25.614 75 HG23 VAL 5 2HG2 VAL 5 7.152 -7.409 -25.111 76 H ALA 6 H ALA 6 4.741 -6.555 -24.878 77 HA ALA 6 HA ALA 6 1.955 -7.262 -24.432 78 HB1 ALA 6 1HB ALA 6 3.390 -5.237 -26.064 79 HB2 ALA 6 2HB ALA 6 1.785 -5.745 -26.591 80 HB3 ALA 6 3HB ALA 6 2.007 -5.050 -24.985 81 H LEU 7 H LEU 7 1.422 -9.243 -25.133 82 HA LEU 7 HA LEU 7 2.652 -10.530 -27.349 83 HB2 LEU 7 2HB LEU 7 -0.015 -11.271 -26.191 84 HB3 LEU 7 3HB LEU 7 1.179 -12.319 -26.953 85 HG LEU 7 HG LEU 7 1.505 -10.986 -24.266 86 HD11 LEU 7 1HD1 LEU 7 0.935 -12.994 -23.247 87 HD12 LEU 7 2HD1 LEU 7 1.122 -13.918 -24.736 88 HD13 LEU 7 3HD1 LEU 7 -0.259 -12.840 -24.536 89 HD21 LEU 7 3HD2 LEU 7 3.354 -12.262 -26.060 90 HD22 LEU 7 1HD2 LEU 7 3.222 -13.176 -24.557 91 HD23 LEU 7 2HD2 LEU 7 3.659 -11.468 -24.515 92 H TYR 8 H TYR 8 -0.321 -8.699 -26.915 93 HA TYR 8 HA TYR 8 -0.560 -8.484 -29.817 94 HB2 TYR 8 2HB TYR 8 -3.052 -9.015 -28.238 95 HB3 TYR 8 3HB TYR 8 -2.759 -9.233 -29.960 96 HD1 TYR 8 HD2 TYR 8 -1.175 -11.125 -30.657 97 HD2 TYR 8 HD1 TYR 8 -2.873 -10.824 -26.768 98 HE1 TYR 8 HE2 TYR 8 -0.726 -13.514 -30.282 99 HE2 TYR 8 HE1 TYR 8 -2.428 -13.212 -26.381 100 HH TYR 8 HH TYR 8 -0.354 -14.977 -27.984 101 H ASP 9 H ASP 9 -1.901 -6.704 -30.505 102 HA ASP 9 HA ASP 9 -1.634 -4.432 -28.760 103 HB2 ASP 9 2HB ASP 9 -2.299 -3.109 -30.638 104 HB3 ASP 9 3HB ASP 9 -1.236 -4.375 -31.249 105 H PHE 10 H PHE 10 -3.185 -3.382 -27.645 106 HA PHE 10 HA PHE 10 -5.979 -4.194 -28.023 107 HB2 PHE 10 2HB PHE 10 -5.530 -5.494 -26.155 108 HB3 PHE 10 3HB PHE 10 -4.362 -4.345 -25.509 109 HD1 PHE 10 HD2 PHE 10 -7.964 -4.994 -25.984 110 HD2 PHE 10 HD1 PHE 10 -5.012 -2.659 -23.998 111 HE1 PHE 10 HE2 PHE 10 -9.695 -4.081 -24.493 112 HE2 PHE 10 HE1 PHE 10 -6.738 -1.743 -22.502 113 HZ PHE 10 HZ PHE 10 -9.083 -2.453 -22.750 114 H GLU 11 H GLU 11 -7.513 -2.622 -27.554 115 HA GLU 11 HA GLU 11 -6.423 0.071 -27.058 116 HB2 GLU 11 2HB GLU 11 -7.291 -0.178 -29.332 117 HB3 GLU 11 3HB GLU 11 -8.837 -0.723 -28.695 118 HG2 GLU 11 2HG GLU 11 -8.812 1.572 -27.458 119 HG3 GLU 11 3HG GLU 11 -7.651 2.009 -28.710 120 HA PRO 12 HA PRO 12 -8.909 0.139 -23.410 121 HB2 PRO 12 2HB PRO 12 -8.832 2.815 -22.959 122 HB3 PRO 12 3HB PRO 12 -7.457 1.749 -22.648 123 HG2 PRO 12 2HG PRO 12 -7.983 3.524 -25.000 124 HG3 PRO 12 3HG PRO 12 -6.471 3.265 -24.109 125 HD2 PRO 12 2HD PRO 12 -6.990 2.062 -26.479 126 HD3 PRO 12 3HD PRO 12 -6.012 1.294 -25.212 127 H GLU 13 H GLU 13 -11.013 0.520 -22.827 128 HA GLU 13 HA GLU 13 -12.712 1.768 -24.879 129 HB2 GLU 13 2HB GLU 13 -13.068 -0.547 -23.054 130 HB3 GLU 13 3HB GLU 13 -14.491 0.435 -23.377 131 HG2 GLU 13 2HG GLU 13 -12.809 -0.554 -25.636 132 HG3 GLU 13 3HG GLU 13 -13.980 -1.621 -24.863 133 H ASN 14 H ASN 14 -11.598 2.047 -21.663 134 HA ASN 14 HA ASN 14 -13.698 4.017 -21.046 135 HB2 ASN 14 2HB ASN 14 -12.071 2.183 -19.322 136 HB3 ASN 14 3HB ASN 14 -12.692 3.686 -18.644 137 HD21 ASN 14 1HD2 ASN 14 -13.322 0.488 -19.104 138 HD22 ASN 14 2HD2 ASN 14 -15.038 0.505 -18.903 139 H ASP 15 H ASP 15 -12.785 5.703 -19.376 140 HA ASP 15 HA ASP 15 -10.523 6.970 -20.711 141 HB2 ASP 15 2HB ASP 15 -12.644 7.932 -18.812 142 HB3 ASP 15 3HB ASP 15 -11.191 8.887 -19.091 143 H ASN 16 H ASN 16 -10.359 4.654 -18.757 144 HA ASN 16 HA ASN 16 -8.254 5.834 -17.094 145 HB2 ASN 16 2HB ASN 16 -9.113 4.068 -15.317 146 HB3 ASN 16 3HB ASN 16 -9.808 5.685 -15.403 147 HD21 ASN 16 1HD2 ASN 16 -10.430 2.392 -15.469 148 HD22 ASN 16 2HD2 ASN 16 -12.080 2.452 -15.978 149 H GLU 17 H GLU 17 -8.751 3.903 -19.510 150 HA GLU 17 HA GLU 17 -7.122 1.664 -18.526 151 HB2 GLU 17 2HB GLU 17 -8.910 1.950 -20.938 152 HB3 GLU 17 3HB GLU 17 -7.793 0.606 -20.741 153 HG2 GLU 17 2HG GLU 17 -9.010 0.368 -18.422 154 HG3 GLU 17 3HG GLU 17 -10.296 1.227 -19.268 155 H LEU 18 H LEU 18 -5.359 0.902 -19.844 156 HA LEU 18 HA LEU 18 -4.050 3.100 -21.291 157 HB2 LEU 18 2HB LEU 18 -3.052 1.873 -19.209 158 HB3 LEU 18 3HB LEU 18 -2.623 0.637 -20.391 159 HG LEU 18 HG LEU 18 -1.794 3.261 -21.277 160 HD11 LEU 18 1HD1 LEU 18 -0.892 2.341 -18.559 161 HD12 LEU 18 2HD1 LEU 18 -1.573 3.903 -19.011 162 HD13 LEU 18 3HD1 LEU 18 0.041 3.454 -19.561 163 HD21 LEU 18 3HD2 LEU 18 -1.061 0.769 -21.804 164 HD22 LEU 18 1HD2 LEU 18 0.105 1.107 -20.525 165 HD23 LEU 18 2HD2 LEU 18 0.057 2.124 -21.964 166 H ARG 19 H ARG 19 -2.948 2.684 -23.251 167 HA ARG 19 HA ARG 19 -4.220 0.619 -24.849 168 HB2 ARG 19 2HB ARG 19 -2.202 2.681 -25.740 169 HB3 ARG 19 3HB ARG 19 -3.293 1.748 -26.756 170 HG2 ARG 19 2HG ARG 19 -5.032 3.120 -26.379 171 HG3 ARG 19 3HG ARG 19 -4.592 3.387 -24.691 172 HD2 ARG 19 2HD ARG 19 -4.431 5.396 -26.218 173 HD3 ARG 19 3HD ARG 19 -2.994 5.026 -25.266 174 HE ARG 19 HE ARG 19 -2.929 3.824 -27.858 175 HH11 ARG 19 1HH1 ARG 19 -2.363 6.777 -26.103 176 HH12 ARG 19 2HH1 ARG 19 -1.217 7.391 -27.248 177 HH21 ARG 19 1HH2 ARG 19 -1.422 4.622 -29.373 178 HH22 ARG 19 2HH2 ARG 19 -0.684 6.165 -29.108 179 H LEU 20 H LEU 20 -3.080 -0.924 -26.088 180 HA LEU 20 HA LEU 20 -0.287 -1.389 -25.317 181 HB2 LEU 20 2HB LEU 20 -2.424 -2.875 -24.353 182 HB3 LEU 20 3HB LEU 20 -1.766 -3.858 -25.660 183 HG LEU 20 HG LEU 20 0.366 -3.984 -24.585 184 HD11 LEU 20 1HD1 LEU 20 1.046 -2.198 -23.443 185 HD12 LEU 20 2HD1 LEU 20 0.117 -2.839 -22.089 186 HD13 LEU 20 3HD1 LEU 20 -0.606 -1.644 -23.165 187 HD21 LEU 20 3HD2 LEU 20 -2.069 -4.641 -23.035 188 HD22 LEU 20 1HD2 LEU 20 -0.527 -4.742 -22.186 189 HD23 LEU 20 2HD2 LEU 20 -0.792 -5.693 -23.648 190 H ALA 21 H ALA 21 0.965 -2.522 -26.839 191 HA ALA 21 HA ALA 21 -0.292 -3.127 -29.414 192 HB1 ALA 21 1HB ALA 21 1.527 -0.915 -28.888 193 HB2 ALA 21 2HB ALA 21 2.072 -1.966 -30.195 194 HB3 ALA 21 3HB ALA 21 0.478 -1.215 -30.273 195 H GLU 22 H GLU 22 0.563 -4.861 -30.441 196 HA GLU 22 HA GLU 22 2.047 -6.753 -29.105 197 HB2 GLU 22 2HB GLU 22 0.739 -7.221 -31.131 198 HB3 GLU 22 3HB GLU 22 1.909 -6.332 -32.095 199 HG2 GLU 22 2HG GLU 22 3.468 -8.169 -30.778 200 HG3 GLU 22 3HG GLU 22 1.988 -9.065 -31.114 201 H GLY 23 H GLY 23 4.083 -6.805 -28.438 202 HA2 GLY 23 2HA GLY 23 6.424 -6.783 -28.808 203 HA3 GLY 23 3HA GLY 23 6.177 -5.663 -30.140 204 H ASP 24 H ASP 24 4.281 -4.548 -27.719 205 HA ASP 24 HA ASP 24 6.205 -2.483 -27.037 206 HB2 ASP 24 2HB ASP 24 3.263 -2.803 -26.416 207 HB3 ASP 24 3HB ASP 24 4.235 -1.433 -25.883 208 H ILE 25 H ILE 25 6.851 -1.952 -24.942 209 HA ILE 25 HA ILE 25 6.704 -4.186 -23.049 210 HB ILE 25 HB ILE 25 8.579 -1.819 -23.090 211 HG12 ILE 25 2HG1 ILE 25 8.693 -3.794 -24.850 212 HG13 ILE 25 3HG1 ILE 25 10.156 -3.139 -24.123 213 HG21 ILE 25 1HG2 ILE 25 8.280 -4.145 -21.226 214 HG22 ILE 25 2HG2 ILE 25 9.832 -3.334 -21.430 215 HG23 ILE 25 3HG2 ILE 25 8.435 -2.429 -20.848 216 HD11 ILE 25 3HD1 ILE 25 9.993 -5.645 -24.242 217 HD12 ILE 25 1HD1 ILE 25 10.356 -4.970 -22.654 218 HD13 ILE 25 2HD1 ILE 25 8.726 -5.536 -23.021 219 H VAL 26 H VAL 26 5.959 -3.956 -20.981 220 HA VAL 26 HA VAL 26 5.089 -1.315 -20.077 221 HB VAL 26 HB VAL 26 2.929 -2.494 -19.247 222 HG11 VAL 26 1HG1 VAL 26 3.167 -1.914 -22.193 223 HG12 VAL 26 2HG1 VAL 26 1.740 -1.738 -21.170 224 HG13 VAL 26 3HG1 VAL 26 3.123 -0.665 -20.949 225 HG21 VAL 26 3HG2 VAL 26 2.116 -4.258 -20.734 226 HG22 VAL 26 1HG2 VAL 26 3.662 -4.257 -21.584 227 HG23 VAL 26 2HG2 VAL 26 3.585 -4.757 -19.894 228 H PHE 27 H PHE 27 4.592 -1.240 -17.784 229 HA PHE 27 HA PHE 27 5.952 -3.381 -16.282 230 HB2 PHE 27 2HB PHE 27 5.829 -0.418 -15.685 231 HB3 PHE 27 3HB PHE 27 6.531 -1.625 -14.613 232 HD1 PHE 27 HD1 PHE 27 8.281 -3.225 -15.915 233 HD2 PHE 27 HD2 PHE 27 7.304 0.787 -16.945 234 HE1 PHE 27 HE1 PHE 27 10.439 -3.001 -17.075 235 HE2 PHE 27 HE2 PHE 27 9.460 1.017 -18.108 236 HZ PHE 27 HZ PHE 27 11.030 -0.878 -18.174 237 H ILE 28 H ILE 28 4.438 -4.594 -15.346 238 HA ILE 28 HA ILE 28 1.861 -3.607 -14.619 239 HB ILE 28 HB ILE 28 3.072 -6.185 -13.644 240 HG12 ILE 28 2HG1 ILE 28 3.449 -6.084 -16.048 241 HG13 ILE 28 3HG1 ILE 28 2.165 -7.234 -15.694 242 HG21 ILE 28 1HG2 ILE 28 0.255 -5.262 -14.176 243 HG22 ILE 28 2HG2 ILE 28 0.693 -6.932 -13.821 244 HG23 ILE 28 3HG2 ILE 28 0.977 -5.672 -12.620 245 HD11 ILE 28 3HD1 ILE 28 2.094 -4.724 -17.199 246 HD12 ILE 28 1HD1 ILE 28 1.101 -6.173 -17.350 247 HD13 ILE 28 2HD1 ILE 28 0.734 -4.978 -16.106 248 H SER 29 H SER 29 1.792 -2.109 -13.042 249 HA SER 29 HA SER 29 3.523 -2.009 -10.817 250 HB2 SER 29 2HB SER 29 0.919 -0.686 -11.509 251 HB3 SER 29 3HB SER 29 1.598 -0.499 -9.892 252 HG SER 29 HG SER 29 2.829 0.967 -10.732 253 H TYR 30 H TYR 30 0.286 -3.355 -11.258 254 HA TYR 30 HA TYR 30 0.628 -5.305 -9.251 255 HB2 TYR 30 2HB TYR 30 -0.805 -4.523 -7.509 256 HB3 TYR 30 3HB TYR 30 0.355 -3.239 -7.829 257 HD1 TYR 30 HD1 TYR 30 -0.350 -1.155 -8.875 258 HD2 TYR 30 HD2 TYR 30 -3.152 -4.248 -8.050 259 HE1 TYR 30 HE1 TYR 30 -2.196 0.435 -9.215 260 HE2 TYR 30 HE2 TYR 30 -5.006 -2.668 -8.389 261 HH TYR 30 HH TYR 30 -5.546 -0.484 -8.609 262 H LYS 31 H LYS 31 -1.089 -6.783 -9.169 263 HA LYS 31 HA LYS 31 -2.781 -6.747 -11.504 264 HB2 LYS 31 2HB LYS 31 -1.883 -8.865 -11.022 265 HB3 LYS 31 3HB LYS 31 -2.261 -8.735 -9.310 266 HG2 LYS 31 2HG LYS 31 -4.575 -9.087 -9.707 267 HG3 LYS 31 3HG LYS 31 -4.363 -8.925 -11.452 268 HD2 LYS 31 2HD LYS 31 -3.396 -11.010 -11.661 269 HD3 LYS 31 3HD LYS 31 -2.855 -11.043 -9.981 270 HE2 LYS 31 2HE LYS 31 -5.752 -10.897 -10.242 271 HE3 LYS 31 3HE LYS 31 -5.067 -12.331 -11.006 272 HZ1 LYS 31 3HZ LYS 31 -4.185 -13.069 -9.004 273 HZ2 LYS 31 1HZ LYS 31 -5.699 -12.463 -8.552 274 HZ3 LYS 31 2HZ LYS 31 -4.303 -11.553 -8.262 275 H HIS 32 H HIS 32 -5.019 -6.697 -11.556 276 HA HIS 32 HA HIS 32 -6.393 -6.058 -9.038 277 HB2 HIS 32 2HB HIS 32 -5.812 -4.032 -10.564 278 HB3 HIS 32 3HB HIS 32 -7.115 -4.636 -11.583 279 HD1 HIS 32 HD1 HIS 32 -6.698 -3.848 -7.874 280 HD2 HIS 32 HD2 HIS 32 -9.455 -3.458 -10.958 281 HE1 HIS 32 HE1 HIS 32 -8.668 -2.651 -6.868 282 H GLY 33 H GLY 33 -8.690 -6.458 -9.058 283 HA2 GLY 33 2HA GLY 33 -9.382 -8.907 -10.250 284 HA3 GLY 33 3HA GLY 33 -10.505 -7.799 -9.476 285 H GLN 34 H GLN 34 -11.783 -8.873 -11.329 286 HA GLN 34 HA GLN 34 -12.962 -8.560 -13.250 287 HB2 GLN 34 2HB GLN 34 -11.563 -5.888 -13.416 288 HB3 GLN 34 3HB GLN 34 -13.050 -6.351 -14.232 289 HG2 GLN 34 2HG GLN 34 -12.831 -6.346 -11.244 290 HG3 GLN 34 3HG GLN 34 -13.231 -4.889 -12.153 291 HE21 GLN 34 1HE2 GLN 34 -14.823 -6.390 -10.224 292 HE22 GLN 34 2HE2 GLN 34 -16.273 -6.841 -11.048 293 H GLY 35 H GLY 35 -9.938 -9.329 -13.134 294 HA2 GLY 35 2HA GLY 35 -8.470 -10.213 -14.668 295 HA3 GLY 35 3HA GLY 35 -9.722 -10.003 -15.883 296 H TRP 36 H TRP 36 -8.494 -7.344 -13.977 297 HA TRP 36 HA TRP 36 -7.086 -6.344 -16.365 298 HB2 TRP 36 2HB TRP 36 -8.847 -4.837 -14.429 299 HB3 TRP 36 3HB TRP 36 -7.751 -4.037 -15.552 300 HD1 TRP 36 HD1 TRP 36 -11.159 -5.587 -15.344 301 HE1 TRP 36 HE1 TRP 36 -12.311 -5.465 -17.643 302 HE3 TRP 36 HE3 TRP 36 -7.153 -4.167 -18.185 303 HZ2 TRP 36 HZ2 TRP 36 -11.613 -4.850 -20.308 304 HZ3 TRP 36 HZ3 TRP 36 -7.479 -3.833 -20.601 305 HH2 TRP 36 HH2 TRP 36 -9.664 -4.169 -21.638 306 H LEU 37 H LEU 37 -5.090 -5.485 -16.072 307 HA LEU 37 HA LEU 37 -4.088 -5.344 -13.304 308 HB2 LEU 37 2HB LEU 37 -2.253 -5.885 -15.586 309 HB3 LEU 37 3HB LEU 37 -2.104 -6.343 -13.891 310 HG LEU 37 HG LEU 37 -3.828 -7.647 -15.991 311 HD11 LEU 37 1HD1 LEU 37 -2.317 -9.582 -14.853 312 HD12 LEU 37 2HD1 LEU 37 -1.216 -8.207 -14.773 313 HD13 LEU 37 3HD1 LEU 37 -1.881 -8.714 -16.325 314 HD21 LEU 37 3HD2 LEU 37 -5.193 -8.281 -14.357 315 HD22 LEU 37 1HD2 LEU 37 -4.169 -7.527 -13.134 316 HD23 LEU 37 2HD2 LEU 37 -3.846 -9.180 -13.658 317 H VAL 38 H VAL 38 -3.096 -3.514 -12.690 318 HA VAL 38 HA VAL 38 -3.123 -1.262 -14.487 319 HB VAL 38 HB VAL 38 -2.133 -1.455 -11.638 320 HG11 VAL 38 1HG1 VAL 38 -2.436 0.830 -13.544 321 HG12 VAL 38 2HG1 VAL 38 -2.614 1.090 -11.808 322 HG13 VAL 38 3HG1 VAL 38 -1.102 0.450 -12.455 323 HG21 VAL 38 3HG2 VAL 38 -4.797 -0.822 -12.847 324 HG22 VAL 38 1HG2 VAL 38 -4.408 -1.881 -11.491 325 HG23 VAL 38 2HG2 VAL 38 -4.334 -0.130 -11.293 326 H ALA 39 H ALA 39 -1.556 -1.076 -15.953 327 HA ALA 39 HA ALA 39 1.227 -1.405 -15.051 328 HB1 ALA 39 1HB ALA 39 0.077 -3.174 -16.719 329 HB2 ALA 39 2HB ALA 39 0.681 -1.998 -17.887 330 HB3 ALA 39 3HB ALA 39 1.793 -2.769 -16.756 331 H GLU 40 H GLU 40 2.801 -0.206 -16.367 332 HA GLU 40 HA GLU 40 1.611 2.231 -17.524 333 HB2 GLU 40 2HB GLU 40 3.437 3.517 -16.653 334 HB3 GLU 40 3HB GLU 40 2.767 2.570 -15.332 335 HG2 GLU 40 2HG GLU 40 4.840 1.066 -16.577 336 HG3 GLU 40 3HG GLU 40 5.437 2.688 -16.228 337 H ASN 41 H ASN 41 2.918 3.313 -19.165 338 HA ASN 41 HA ASN 41 3.880 1.460 -21.105 339 HB2 ASN 41 2HB ASN 41 3.916 3.244 -22.581 340 HB3 ASN 41 3HB ASN 41 2.725 3.798 -21.409 341 HD21 ASN 41 1HD2 ASN 41 4.250 4.650 -19.347 342 HD22 ASN 41 2HD2 ASN 41 5.238 5.979 -19.840 343 H GLU 42 H GLU 42 6.021 2.437 -22.324 344 HA GLU 42 HA GLU 42 8.167 1.661 -20.631 345 HB2 GLU 42 2HB GLU 42 7.810 1.694 -23.314 346 HB3 GLU 42 3HB GLU 42 8.807 3.128 -23.117 347 HG2 GLU 42 2HG GLU 42 10.232 1.445 -21.631 348 HG3 GLU 42 3HG GLU 42 9.477 0.276 -22.712 349 H SER 43 H SER 43 6.989 4.761 -21.826 350 HA SER 43 HA SER 43 9.104 6.395 -21.067 351 HB2 SER 43 2HB SER 43 6.852 6.916 -22.333 352 HB3 SER 43 3HB SER 43 6.291 7.363 -20.722 353 HG SER 43 HG SER 43 7.717 8.821 -22.376 354 H GLY 44 H GLY 44 6.784 4.743 -19.129 355 HA2 GLY 44 2HA GLY 44 6.647 4.501 -16.845 356 HA3 GLY 44 3HA GLY 44 8.149 5.405 -16.721 357 H SER 45 H SER 45 5.870 7.120 -18.489 358 HA SER 45 HA SER 45 5.222 8.746 -16.123 359 HB2 SER 45 2HB SER 45 6.561 9.710 -18.127 360 HB3 SER 45 3HB SER 45 5.005 9.730 -18.958 361 HG SER 45 HG SER 45 5.496 11.708 -17.858 362 H LYS 46 H LYS 46 3.909 6.803 -18.615 363 HA LYS 46 HA LYS 46 1.195 7.782 -18.032 364 HB2 LYS 46 2HB LYS 46 1.133 7.888 -20.286 365 HB3 LYS 46 3HB LYS 46 2.510 6.810 -20.471 366 HG2 LYS 46 2HG LYS 46 1.167 4.893 -20.364 367 HG3 LYS 46 3HG LYS 46 -0.206 5.789 -19.710 368 HD2 LYS 46 2HD LYS 46 0.935 6.242 -22.463 369 HD3 LYS 46 3HD LYS 46 -0.413 5.154 -22.127 370 HE2 LYS 46 2HE LYS 46 -1.436 7.247 -20.951 371 HE3 LYS 46 3HE LYS 46 -0.286 8.135 -21.950 372 HZ1 LYS 46 3HZ LYS 46 -2.722 7.499 -22.766 373 HZ2 LYS 46 1HZ LYS 46 -1.895 6.127 -23.308 374 HZ3 LYS 46 2HZ LYS 46 -1.416 7.664 -23.828 375 H THR 47 H THR 47 -0.069 6.544 -16.823 376 HA THR 47 HA THR 47 0.464 3.648 -16.726 377 HB THR 47 HB THR 47 -0.521 5.221 -14.350 378 HG1 THR 47 HG1 THR 47 1.467 5.952 -14.253 379 HG21 THR 47 3HG2 THR 47 -1.006 2.989 -13.966 380 HG22 THR 47 1HG2 THR 47 0.596 3.138 -13.245 381 HG23 THR 47 2HG2 THR 47 0.413 2.422 -14.846 382 H GLY 48 H GLY 48 -1.353 2.296 -16.324 383 HA2 GLY 48 2HA GLY 48 -3.987 3.250 -15.986 384 HA3 GLY 48 3HA GLY 48 -3.682 3.004 -17.699 385 H LEU 49 H LEU 49 -5.409 1.412 -17.539 386 HA LEU 49 HA LEU 49 -4.642 -1.078 -16.194 387 HB2 LEU 49 2HB LEU 49 -7.260 -0.390 -17.514 388 HB3 LEU 49 3HB LEU 49 -6.925 -1.779 -16.482 389 HG LEU 49 HG LEU 49 -6.567 0.938 -15.326 390 HD11 LEU 49 1HD1 LEU 49 -8.662 1.264 -16.398 391 HD12 LEU 49 2HD1 LEU 49 -8.994 0.920 -14.701 392 HD13 LEU 49 3HD1 LEU 49 -9.229 -0.335 -15.917 393 HD21 LEU 49 3HD2 LEU 49 -6.979 -0.125 -13.317 394 HD22 LEU 49 1HD2 LEU 49 -6.153 -1.383 -14.236 395 HD23 LEU 49 2HD2 LEU 49 -7.908 -1.420 -14.071 396 H VAL 50 H VAL 50 -4.255 -2.948 -17.282 397 HA VAL 50 HA VAL 50 -4.604 -2.966 -20.196 398 HB VAL 50 HB VAL 50 -2.410 -3.795 -20.617 399 HG11 VAL 50 1HG1 VAL 50 -1.360 -1.812 -20.484 400 HG12 VAL 50 2HG1 VAL 50 -2.888 -1.249 -19.805 401 HG13 VAL 50 3HG1 VAL 50 -1.561 -1.707 -18.736 402 HG21 VAL 50 3HG2 VAL 50 -0.756 -4.130 -18.817 403 HG22 VAL 50 1HG2 VAL 50 -2.016 -3.805 -17.626 404 HG23 VAL 50 2HG2 VAL 50 -2.137 -5.217 -18.675 405 HA PRO 51 HA PRO 51 -6.097 -7.056 -19.626 406 HB2 PRO 51 2HB PRO 51 -5.383 -8.200 -21.983 407 HB3 PRO 51 3HB PRO 51 -6.689 -7.017 -21.845 408 HG2 PRO 51 2HG PRO 51 -3.858 -6.617 -22.730 409 HG3 PRO 51 3HG PRO 51 -5.350 -5.960 -23.426 410 HD2 PRO 51 2HD PRO 51 -3.738 -4.510 -21.805 411 HD3 PRO 51 3HD PRO 51 -5.498 -4.286 -21.848 412 H GLU 52 H GLU 52 -5.439 -9.003 -18.841 413 HA GLU 52 HA GLU 52 -2.576 -9.382 -18.495 414 HB2 GLU 52 2HB GLU 52 -4.108 -9.602 -16.562 415 HB3 GLU 52 3HB GLU 52 -4.889 -10.961 -17.357 416 HG2 GLU 52 2HG GLU 52 -1.951 -10.994 -16.805 417 HG3 GLU 52 3HG GLU 52 -3.117 -11.422 -15.554 418 H GLU 53 H GLU 53 -5.238 -10.735 -20.263 419 HA GLU 53 HA GLU 53 -3.777 -13.135 -20.986 420 HB2 GLU 53 2HB GLU 53 -6.528 -12.264 -21.053 421 HB3 GLU 53 3HB GLU 53 -6.048 -12.893 -22.623 422 HG2 GLU 53 2HG GLU 53 -5.470 -14.421 -20.119 423 HG3 GLU 53 3HG GLU 53 -7.053 -14.502 -20.890 424 H PHE 54 H PHE 54 -3.203 -10.169 -21.813 425 HA PHE 54 HA PHE 54 -2.790 -10.777 -24.667 426 HB2 PHE 54 2HB PHE 54 -3.981 -8.443 -23.371 427 HB3 PHE 54 3HB PHE 54 -2.688 -8.021 -24.488 428 HD1 PHE 54 HD2 PHE 54 -5.110 -10.821 -24.725 429 HD2 PHE 54 HD1 PHE 54 -3.821 -7.078 -26.288 430 HE1 PHE 54 HE2 PHE 54 -6.664 -11.079 -26.615 431 HE2 PHE 54 HE1 PHE 54 -5.374 -7.329 -28.180 432 HZ PHE 54 HZ PHE 54 -6.797 -9.332 -28.345 433 H VAL 55 H VAL 55 -1.335 -10.212 -21.718 434 HA VAL 55 HA VAL 55 1.187 -9.411 -23.019 435 HB VAL 55 HB VAL 55 1.868 -8.484 -20.797 436 HG11 VAL 55 1HG1 VAL 55 -0.585 -6.993 -21.521 437 HG12 VAL 55 2HG1 VAL 55 1.076 -6.427 -21.336 438 HG13 VAL 55 3HG1 VAL 55 0.591 -7.275 -22.805 439 HG21 VAL 55 3HG2 VAL 55 0.363 -9.680 -19.349 440 HG22 VAL 55 1HG2 VAL 55 0.048 -7.952 -19.196 441 HG23 VAL 55 2HG2 VAL 55 -1.038 -8.965 -20.147 442 H SER 56 H SER 56 3.140 -10.092 -21.672 443 HA SER 56 HA SER 56 2.718 -12.665 -20.334 444 HB2 SER 56 2HB SER 56 3.277 -13.499 -22.439 445 HB3 SER 56 3HB SER 56 4.381 -12.168 -22.783 446 HG SER 56 HG SER 56 4.795 -14.278 -20.929 447 H TYR 57 H TYR 57 3.602 -12.485 -18.393 448 HA TYR 57 HA TYR 57 5.308 -10.480 -17.534 449 HB2 TYR 57 2HB TYR 57 4.515 -13.147 -16.476 450 HB3 TYR 57 3HB TYR 57 5.909 -12.365 -15.740 451 HD1 TYR 57 HD1 TYR 57 2.789 -10.820 -17.059 452 HD2 TYR 57 HD2 TYR 57 5.153 -11.705 -13.634 453 HE1 TYR 57 HE1 TYR 57 1.284 -9.453 -15.675 454 HE2 TYR 57 HE2 TYR 57 3.654 -10.341 -12.240 455 HH TYR 57 HH TYR 57 1.664 -9.277 -12.172 456 H ILE 58 H ILE 58 7.421 -10.105 -17.707 457 HA ILE 58 HA ILE 58 9.082 -12.119 -19.028 458 HB ILE 58 HB ILE 58 9.764 -9.235 -18.457 459 HG12 ILE 58 2HG1 ILE 58 8.732 -10.449 -21.029 460 HG13 ILE 58 3HG1 ILE 58 7.759 -9.488 -19.920 461 HG21 ILE 58 1HG2 ILE 58 11.757 -10.419 -18.830 462 HG22 ILE 58 2HG2 ILE 58 11.038 -11.389 -20.115 463 HG23 ILE 58 3HG2 ILE 58 11.370 -9.679 -20.383 464 HD11 ILE 58 3HD1 ILE 58 9.618 -7.704 -20.283 465 HD12 ILE 58 1HD1 ILE 58 9.955 -8.637 -21.741 466 HD13 ILE 58 2HD1 ILE 58 8.357 -7.934 -21.493 467 H GLN 59 H GLN 59 11.097 -12.759 -18.218 468 HA GLN 59 HA GLN 59 11.640 -12.062 -15.414 469 HB2 GLN 59 2HB GLN 59 11.075 -14.703 -16.576 470 HB3 GLN 59 3HB GLN 59 12.513 -14.649 -15.566 471 HG2 GLN 59 2HG GLN 59 11.339 -14.272 -13.664 472 HG3 GLN 59 3HG GLN 59 10.058 -13.392 -14.496 473 HE21 GLN 59 1HE2 GLN 59 9.822 -15.496 -12.528 474 HE22 GLN 59 2HE2 GLN 59 8.939 -16.777 -13.279 475 HA PRO 60 HA PRO 60 15.839 -11.514 -16.555 476 HB2 PRO 60 2HB PRO 60 17.170 -12.513 -14.411 477 HB3 PRO 60 3HB PRO 60 16.272 -10.992 -14.360 478 HG2 PRO 60 2HG PRO 60 15.449 -13.711 -13.415 479 HG3 PRO 60 3HG PRO 60 15.228 -12.138 -12.626 480 HD2 PRO 60 2HD PRO 60 13.242 -13.376 -13.988 481 HD3 PRO 60 3HD PRO 60 13.391 -11.608 -13.914 482 H GLU 61 H GLU 61 15.352 -14.729 -15.083 483 HA GLU 61 HA GLU 61 16.509 -16.015 -17.392 484 HB2 GLU 61 2HB GLU 61 18.393 -15.275 -15.727 485 HB3 GLU 61 3HB GLU 61 17.843 -16.656 -14.789 486 HG2 GLU 61 2HG GLU 61 18.216 -18.090 -16.777 487 HG3 GLU 61 3HG GLU 61 18.900 -16.692 -17.605 488 H LEU 62 H LEU 62 14.008 -15.958 -15.767 489 HA LEU 62 HA LEU 62 13.884 -18.822 -15.081 490 HB2 LEU 62 2HB LEU 62 11.925 -16.807 -14.058 491 HB3 LEU 62 3HB LEU 62 12.347 -18.385 -13.395 492 HG LEU 62 HG LEU 62 14.104 -15.932 -13.316 493 HD11 LEU 62 1HD1 LEU 62 11.906 -16.137 -11.882 494 HD12 LEU 62 2HD1 LEU 62 13.403 -15.522 -11.183 495 HD13 LEU 62 3HD1 LEU 62 12.920 -17.194 -10.898 496 HD21 LEU 62 3HD2 LEU 62 15.093 -17.603 -11.460 497 HD22 LEU 62 1HD2 LEU 62 15.676 -17.542 -13.123 498 HD23 LEU 62 2HD2 LEU 62 14.512 -18.776 -12.642 499 H GLU 63 H GLU 63 11.529 -19.648 -15.232 500 HA GLU 63 HA GLU 63 10.027 -18.448 -17.417 501 HB2 GLU 63 2HB GLU 63 11.707 -20.016 -18.437 502 HB3 GLU 63 3HB GLU 63 10.923 -21.328 -17.567 503 HG2 GLU 63 2HG GLU 63 8.931 -21.092 -18.804 504 HG3 GLU 63 3HG GLU 63 9.441 -19.542 -19.470 505 H1 GLY -9 H GLY -9 -8.929 3.920 -4.489 506 HA2 GLY -9 2HA GLY -9 -7.152 4.349 -5.885 507 HA3 GLY -9 3HA GLY -9 -7.728 2.936 -6.756 508 H LYS -8 H LYS -8 -6.479 4.763 -8.226 509 HA LYS -8 HA LYS -8 -8.216 6.777 -9.278 510 HB2 LYS -8 2HB LYS -8 -5.641 5.625 -10.367 511 HB3 LYS -8 3HB LYS -8 -6.460 7.042 -11.011 512 HG2 LYS -8 2HG LYS -8 -5.572 6.898 -8.151 513 HG3 LYS -8 3HG LYS -8 -4.490 7.423 -9.444 514 HD2 LYS -8 2HD LYS -8 -5.646 9.364 -9.809 515 HD3 LYS -8 3HD LYS -8 -7.181 8.679 -9.269 516 HE2 LYS -8 2HE LYS -8 -4.928 9.122 -7.343 517 HE3 LYS -8 3HE LYS -8 -6.007 10.443 -7.789 518 HZ1 LYS -8 3HZ LYS -8 -6.927 9.503 -5.871 519 HZ2 LYS -8 1HZ LYS -8 -6.684 7.917 -6.406 520 HZ3 LYS -8 2HZ LYS -8 -7.868 8.882 -7.132 521 H PHE -7 H PHE -7 -6.805 3.884 -10.824 522 HA PHE -7 HA PHE -7 -8.726 3.942 -12.947 523 HB2 PHE -7 2HB PHE -7 -6.934 1.622 -12.241 524 HB3 PHE -7 3HB PHE -7 -7.599 2.039 -13.817 525 HD1 PHE -7 HD1 PHE -7 -6.970 4.703 -14.351 526 HD2 PHE -7 HD2 PHE -7 -4.666 1.878 -12.154 527 HE1 PHE -7 HE1 PHE -7 -4.925 5.964 -14.882 528 HE2 PHE -7 HE2 PHE -7 -2.617 3.134 -12.681 529 HZ PHE -7 HZ PHE -7 -2.745 5.180 -14.046 530 H ILE -6 H ILE -6 -10.473 2.615 -13.298 531 HA ILE -6 HA ILE -6 -11.141 0.535 -11.394 532 HB ILE -6 HB ILE -6 -13.450 1.535 -11.039 533 HG12 ILE -6 2HG1 ILE -6 -12.247 4.227 -11.412 534 HG13 ILE -6 3HG1 ILE -6 -12.741 3.368 -12.867 535 HG21 ILE -6 1HG2 ILE -6 -12.774 2.716 -9.088 536 HG22 ILE -6 2HG2 ILE -6 -11.599 1.428 -9.349 537 HG23 ILE -6 3HG2 ILE -6 -11.198 3.089 -9.784 538 HD11 ILE -6 3HD1 ILE -6 -14.379 4.492 -10.672 539 HD12 ILE -6 1HD1 ILE -6 -14.659 4.489 -12.413 540 HD13 ILE -6 2HD1 ILE -6 -14.957 3.029 -11.469 541 HA PRO -5 HA PRO -5 -12.471 -0.406 -15.695 542 HB2 PRO -5 2HB PRO -5 -11.778 -3.027 -15.556 543 HB3 PRO -5 3HB PRO -5 -10.628 -1.751 -15.972 544 HG2 PRO -5 2HG PRO -5 -11.069 -3.120 -13.347 545 HG3 PRO -5 3HG PRO -5 -9.544 -2.692 -14.143 546 HD2 PRO -5 2HD PRO -5 -10.604 -1.215 -12.137 547 HD3 PRO -5 3HD PRO -5 -9.654 -0.495 -13.453 548 H SER -4 H SER -4 -14.485 -1.022 -16.196 549 HA SER -4 HA SER -4 -15.899 -2.852 -14.378 550 HB2 SER -4 2HB SER -4 -16.736 -0.686 -13.797 551 HB3 SER -4 3HB SER -4 -16.909 -0.230 -15.491 552 HG SER -4 HG SER -4 -18.889 -0.891 -15.165 553 H ARG -3 H ARG -3 -14.994 -4.204 -16.264 554 HA ARG -3 HA ARG -3 -17.130 -5.066 -17.851 555 HB2 ARG -3 2HB ARG -3 -16.213 -4.442 -20.105 556 HB3 ARG -3 3HB ARG -3 -16.874 -3.099 -19.182 557 HG2 ARG -3 2HG ARG -3 -14.488 -2.633 -18.443 558 HG3 ARG -3 3HG ARG -3 -13.997 -3.757 -19.713 559 HD2 ARG -3 2HD ARG -3 -15.594 -1.222 -20.062 560 HD3 ARG -3 3HD ARG -3 -13.918 -1.486 -20.544 561 HE ARG -3 HE ARG -3 -16.252 -2.237 -21.993 562 HH11 ARG -3 1HH1 ARG -3 -12.967 -3.167 -21.313 563 HH12 ARG -3 2HH1 ARG -3 -12.763 -4.025 -22.805 564 HH21 ARG -3 1HH2 ARG -3 -15.996 -3.363 -23.960 565 HH22 ARG -3 2HH2 ARG -3 -14.487 -4.135 -24.310 566 HA PRO -2 HA PRO -2 -14.512 -8.574 -18.168 567 HB2 PRO -2 2HB PRO -2 -15.461 -9.746 -20.425 568 HB3 PRO -2 3HB PRO -2 -16.354 -9.736 -18.899 569 HG2 PRO -2 2HG PRO -2 -16.679 -7.971 -21.295 570 HG3 PRO -2 3HG PRO -2 -17.925 -8.740 -20.294 571 HD2 PRO -2 2HD PRO -2 -17.236 -6.135 -20.019 572 HD3 PRO -2 3HD PRO -2 -17.776 -7.130 -18.651 573 H ALA -1 H ALA -1 -12.465 -8.787 -18.807 574 HA ALA -1 HA ALA -1 -11.287 -7.151 -20.772 575 HB1 ALA -1 1HB ALA -1 -9.307 -8.700 -20.472 576 HB2 ALA -1 2HB ALA -1 -9.903 -7.903 -19.016 577 HB3 ALA -1 3HB ALA -1 -10.302 -9.594 -19.322 578 HA PRO 0 HA PRO 0 -11.875 -9.324 -24.542 579 HB2 PRO 0 2HB PRO 0 -9.548 -8.783 -25.831 580 HB3 PRO 0 3HB PRO 0 -10.810 -7.572 -25.579 581 HG2 PRO 0 2HG PRO 0 -8.284 -8.023 -24.037 582 HG3 PRO 0 3HG PRO 0 -9.011 -6.497 -24.572 583 HD2 PRO 0 2HD PRO 0 -9.252 -7.416 -22.037 584 HD3 PRO 0 3HD PRO 0 -10.520 -6.460 -22.831 585 H LYS 1 H LYS 1 -10.678 -10.877 -26.078 586 HA LYS 1 HA LYS 1 -9.045 -12.763 -24.511 587 HB2 LYS 1 2HB LYS 1 -11.629 -13.183 -25.607 588 HB3 LYS 1 3HB LYS 1 -10.499 -14.139 -26.557 589 HG2 LYS 1 2HG LYS 1 -9.939 -15.487 -24.795 590 HG3 LYS 1 3HG LYS 1 -10.325 -14.257 -23.589 591 HD2 LYS 1 2HD LYS 1 -12.669 -14.986 -25.107 592 HD3 LYS 1 3HD LYS 1 -11.919 -16.411 -24.383 593 HE2 LYS 1 2HE LYS 1 -13.206 -15.787 -22.622 594 HE3 LYS 1 3HE LYS 1 -11.803 -14.776 -22.281 595 HZ1 LYS 1 3HZ LYS 1 -13.288 -13.125 -22.250 596 HZ2 LYS 1 1HZ LYS 1 -14.467 -14.016 -23.075 597 HZ3 LYS 1 2HZ LYS 1 -13.248 -13.222 -23.939 598 HA PRO 2 HA PRO 2 -6.125 -12.561 -27.793 599 HB2 PRO 2 2HB PRO 2 -4.921 -14.975 -27.488 600 HB3 PRO 2 3HB PRO 2 -4.668 -13.627 -26.372 601 HG2 PRO 2 2HG PRO 2 -6.470 -16.001 -26.095 602 HG3 PRO 2 3HG PRO 2 -5.415 -15.250 -24.884 603 HD2 PRO 2 2HD PRO 2 -8.084 -14.799 -24.973 604 HD3 PRO 2 3HD PRO 2 -6.925 -13.568 -24.429 605 HA PRO 3 HA PRO 3 -7.655 -14.618 -31.367 606 HB2 PRO 3 2HB PRO 3 -5.388 -14.975 -32.817 607 HB3 PRO 3 3HB PRO 3 -6.143 -13.393 -32.589 608 HG2 PRO 3 2HG PRO 3 -3.808 -14.602 -31.158 609 HG3 PRO 3 3HG PRO 3 -4.014 -12.949 -31.766 610 HD2 PRO 3 2HD PRO 3 -4.357 -13.596 -29.159 611 HD3 PRO 3 3HD PRO 3 -5.283 -12.306 -29.952 612 H SER 4 H SER 4 -6.734 -16.516 -32.967 613 HA SER 4 HA SER 4 -6.292 -18.825 -31.192 614 HB2 SER 4 2HB SER 4 -7.401 -20.137 -33.074 615 HB3 SER 4 3HB SER 4 -8.450 -19.045 -32.170 616 HG SER 4 HG SER 4 -7.169 -18.287 -34.577 617 H SER 5 H SER 5 -5.294 -17.185 -34.098 618 HA SER 5 HA SER 5 -3.739 -19.153 -35.306 619 HB2 SER 5 2HB SER 5 -4.340 -16.756 -36.113 620 HB3 SER 5 3HB SER 5 -2.871 -16.274 -35.263 621 HG SER 5 HG SER 5 -3.171 -17.916 -37.520 622 H ALA 6 H ALA 6 -2.439 -16.470 -33.347 623 HA ALA 6 HA ALA 6 0.081 -17.658 -32.961 624 HB1 ALA 6 1HB ALA 6 -1.012 -15.723 -30.972 625 HB2 ALA 6 2HB ALA 6 0.603 -15.826 -31.676 626 HB3 ALA 6 3HB ALA 6 -0.738 -15.195 -32.633 Start of MODEL 2 1 H1 MET -4 H MET -4 -3.519 -4.305 0.060 2 HA MET -4 HA MET -4 -4.163 -5.849 -2.327 3 HB2 MET -4 2HB MET -4 -4.012 -2.864 -2.202 4 HB3 MET -4 3HB MET -4 -3.454 -3.690 -3.651 5 HG2 MET -4 2HG MET -4 -6.163 -4.236 -2.503 6 HG3 MET -4 3HG MET -4 -5.875 -2.859 -3.564 7 HE1 MET -4 3HE MET -4 -8.018 -5.186 -5.238 8 HE2 MET -4 1HE MET -4 -7.331 -6.655 -4.545 9 HE3 MET -4 2HE MET -4 -7.712 -5.284 -3.504 10 H ALA -3 H ALA -3 -2.394 -6.663 -3.311 11 HA ALA -3 HA ALA -3 0.221 -5.841 -2.240 12 HB1 ALA -3 1HB ALA -3 -0.598 -8.225 -1.916 13 HB2 ALA -3 2HB ALA -3 -0.345 -8.433 -3.650 14 HB3 ALA -3 3HB ALA -3 1.014 -8.025 -2.603 15 H ILE -2 H ILE -2 1.332 -4.560 -3.553 16 HA ILE -2 HA ILE -2 0.805 -4.516 -6.398 17 HB ILE -2 HB ILE -2 2.745 -2.916 -4.726 18 HG12 ILE -2 2HG1 ILE -2 0.180 -2.019 -6.046 19 HG13 ILE -2 3HG1 ILE -2 0.261 -2.561 -4.373 20 HG21 ILE -2 1HG2 ILE -2 2.944 -1.469 -6.715 21 HG22 ILE -2 2HG2 ILE -2 3.571 -3.094 -6.989 22 HG23 ILE -2 3HG2 ILE -2 1.994 -2.638 -7.632 23 HD11 ILE -2 3HD1 ILE -2 1.508 -0.132 -5.610 24 HD12 ILE -2 1HD1 ILE -2 0.345 -0.225 -4.287 25 HD13 ILE -2 2HD1 ILE -2 2.009 -0.754 -4.037 26 H VAL -1 H VAL -1 1.998 -5.434 -7.950 27 HA VAL -1 HA VAL -1 4.550 -6.686 -7.164 28 HB VAL -1 HB VAL -1 2.663 -7.631 -9.326 29 HG11 VAL -1 1HG1 VAL -1 5.406 -8.215 -8.725 30 HG12 VAL -1 2HG1 VAL -1 4.420 -9.662 -8.507 31 HG13 VAL -1 3HG1 VAL -1 4.403 -8.806 -10.049 32 HG21 VAL -1 3HG2 VAL -1 1.553 -8.076 -7.301 33 HG22 VAL -1 1HG2 VAL -1 2.368 -9.584 -7.716 34 HG23 VAL -1 2HG2 VAL -1 3.050 -8.525 -6.482 35 H ASN 1 H ASN 1 6.325 -6.161 -8.285 36 HA ASN 1 HA ASN 1 6.038 -4.268 -10.490 37 HB2 ASN 1 2HB ASN 1 8.348 -5.057 -8.724 38 HB3 ASN 1 3HB ASN 1 8.582 -4.094 -10.180 39 HD21 ASN 1 1HD2 ASN 1 6.516 -2.402 -10.198 40 HD22 ASN 1 2HD2 ASN 1 6.531 -1.390 -8.798 41 H GLN 2 H GLN 2 5.204 -6.429 -11.570 42 HA GLN 2 HA GLN 2 7.471 -7.857 -12.771 43 HB2 GLN 2 2HB GLN 2 5.598 -9.148 -11.674 44 HB3 GLN 2 3HB GLN 2 4.545 -8.574 -12.960 45 HG2 GLN 2 2HG GLN 2 5.249 -10.755 -13.546 46 HG3 GLN 2 3HG GLN 2 6.105 -9.630 -14.599 47 HE21 GLN 2 1HE2 GLN 2 7.761 -11.064 -15.022 48 HE22 GLN 2 2HE2 GLN 2 8.949 -11.490 -13.843 49 H ARG 3 H ARG 3 7.939 -7.698 -14.890 50 HA ARG 3 HA ARG 3 6.492 -5.702 -16.434 51 HB2 ARG 3 2HB ARG 3 8.354 -5.698 -17.917 52 HB3 ARG 3 3HB ARG 3 9.008 -5.759 -16.286 53 HG2 ARG 3 2HG ARG 3 8.839 -8.400 -16.881 54 HG3 ARG 3 3HG ARG 3 9.187 -7.706 -18.466 55 HD2 ARG 3 2HD ARG 3 11.173 -6.661 -17.649 56 HD3 ARG 3 3HD ARG 3 10.772 -7.078 -15.984 57 HE ARG 3 HE ARG 3 10.925 -9.488 -17.189 58 HH11 ARG 3 1HH1 ARG 3 13.063 -6.742 -17.087 59 HH12 ARG 3 2HH1 ARG 3 14.503 -7.692 -17.241 60 HH21 ARG 3 1HH2 ARG 3 12.814 -10.750 -17.393 61 HH22 ARG 3 2HH2 ARG 3 14.360 -9.972 -17.417 62 H ALA 4 H ALA 4 6.075 -6.148 -18.771 63 HA ALA 4 HA ALA 4 5.654 -8.907 -19.523 64 HB1 ALA 4 1HB ALA 4 3.617 -7.797 -18.131 65 HB2 ALA 4 2HB ALA 4 3.161 -7.370 -19.781 66 HB3 ALA 4 3HB ALA 4 3.417 -9.060 -19.346 67 H VAL 5 H VAL 5 5.153 -9.170 -21.748 68 HA VAL 5 HA VAL 5 5.821 -6.803 -23.356 69 HB VAL 5 HB VAL 5 7.291 -8.807 -23.569 70 HG11 VAL 5 1HG1 VAL 5 6.529 -10.857 -24.045 71 HG12 VAL 5 2HG1 VAL 5 4.949 -10.228 -23.571 72 HG13 VAL 5 3HG1 VAL 5 5.414 -10.257 -25.273 73 HG21 VAL 5 3HG2 VAL 5 6.006 -8.542 -26.225 74 HG22 VAL 5 1HG2 VAL 5 6.567 -7.060 -25.451 75 HG23 VAL 5 2HG2 VAL 5 7.699 -8.375 -25.762 76 H ALA 6 H ALA 6 4.624 -6.265 -25.193 77 HA ALA 6 HA ALA 6 1.832 -7.056 -25.066 78 HB1 ALA 6 1HB ALA 6 2.056 -4.750 -25.294 79 HB2 ALA 6 2HB ALA 6 3.326 -4.897 -26.510 80 HB3 ALA 6 3HB ALA 6 1.658 -5.290 -26.926 81 H LEU 7 H LEU 7 1.202 -8.811 -26.132 82 HA LEU 7 HA LEU 7 2.682 -9.861 -28.359 83 HB2 LEU 7 2HB LEU 7 -0.045 -10.786 -27.535 84 HB3 LEU 7 3HB LEU 7 1.267 -11.714 -28.257 85 HG LEU 7 HG LEU 7 1.301 -10.634 -25.442 86 HD11 LEU 7 1HD1 LEU 7 0.954 -13.517 -26.139 87 HD12 LEU 7 2HD1 LEU 7 -0.446 -12.447 -26.078 88 HD13 LEU 7 3HD1 LEU 7 0.558 -12.667 -24.645 89 HD21 LEU 7 3HD2 LEU 7 3.431 -11.250 -25.406 90 HD22 LEU 7 1HD2 LEU 7 3.333 -11.648 -27.121 91 HD23 LEU 7 2HD2 LEU 7 2.991 -12.883 -25.910 92 H TYR 8 H TYR 8 -0.364 -8.155 -27.897 93 HA TYR 8 HA TYR 8 -0.429 -7.609 -30.772 94 HB2 TYR 8 2HB TYR 8 -3.003 -8.252 -29.379 95 HB3 TYR 8 3HB TYR 8 -2.623 -8.310 -31.096 96 HD1 TYR 8 HD1 TYR 8 -0.924 -10.132 -31.836 97 HD2 TYR 8 HD2 TYR 8 -3.026 -10.217 -28.138 98 HE1 TYR 8 HE1 TYR 8 -0.520 -12.552 -31.670 99 HE2 TYR 8 HE2 TYR 8 -2.628 -12.638 -27.961 100 HH TYR 8 HH TYR 8 -2.153 -14.566 -29.839 101 H ASP 9 H ASP 9 -1.204 -5.611 -31.315 102 HA ASP 9 HA ASP 9 -1.172 -3.597 -29.336 103 HB2 ASP 9 2HB ASP 9 -1.971 -2.109 -31.193 104 HB3 ASP 9 3HB ASP 9 -0.526 -3.040 -31.580 105 H PHE 10 H PHE 10 -2.744 -2.670 -28.165 106 HA PHE 10 HA PHE 10 -5.536 -3.348 -28.798 107 HB2 PHE 10 2HB PHE 10 -5.301 -4.721 -26.972 108 HB3 PHE 10 3HB PHE 10 -4.042 -3.725 -26.250 109 HD1 PHE 10 HD1 PHE 10 -7.668 -4.101 -26.727 110 HD2 PHE 10 HD2 PHE 10 -4.569 -1.975 -24.728 111 HE1 PHE 10 HE1 PHE 10 -9.331 -3.113 -25.207 112 HE2 PHE 10 HE2 PHE 10 -6.227 -0.984 -23.204 113 HZ PHE 10 HZ PHE 10 -8.612 -1.553 -23.442 114 H GLU 11 H GLU 11 -7.077 -1.780 -28.327 115 HA GLU 11 HA GLU 11 -5.983 0.867 -27.630 116 HB2 GLU 11 2HB GLU 11 -6.674 0.835 -29.945 117 HB3 GLU 11 3HB GLU 11 -8.235 0.151 -29.512 118 HG2 GLU 11 2HG GLU 11 -8.692 2.240 -28.215 119 HG3 GLU 11 3HG GLU 11 -7.217 2.913 -28.906 120 HA PRO 12 HA PRO 12 -8.711 0.805 -24.162 121 HB2 PRO 12 2HB PRO 12 -8.661 3.459 -23.594 122 HB3 PRO 12 3HB PRO 12 -7.311 2.375 -23.238 123 HG2 PRO 12 2HG PRO 12 -7.678 4.250 -25.543 124 HG3 PRO 12 3HG PRO 12 -6.229 3.948 -24.567 125 HD2 PRO 12 2HD PRO 12 -6.592 2.848 -27.014 126 HD3 PRO 12 3HD PRO 12 -5.700 2.023 -25.720 127 H GLU 13 H GLU 13 -10.832 1.314 -23.613 128 HA GLU 13 HA GLU 13 -12.394 2.626 -25.739 129 HB2 GLU 13 2HB GLU 13 -12.855 0.188 -24.124 130 HB3 GLU 13 3HB GLU 13 -14.261 1.205 -24.404 131 HG2 GLU 13 2HG GLU 13 -12.516 0.412 -26.691 132 HG3 GLU 13 3HG GLU 13 -13.707 -0.718 -26.048 133 H ASN 14 H ASN 14 -11.437 2.767 -22.486 134 HA ASN 14 HA ASN 14 -13.582 4.695 -21.878 135 HB2 ASN 14 2HB ASN 14 -12.121 2.716 -20.171 136 HB3 ASN 14 3HB ASN 14 -12.729 4.197 -19.436 137 HD21 ASN 14 1HD2 ASN 14 -13.442 1.061 -20.137 138 HD22 ASN 14 2HD2 ASN 14 -15.166 1.132 -20.037 139 H ASP 15 H ASP 15 -12.771 6.263 -20.049 140 HA ASP 15 HA ASP 15 -10.416 7.581 -21.145 141 HB2 ASP 15 2HB ASP 15 -12.566 8.454 -19.218 142 HB3 ASP 15 3HB ASP 15 -11.131 9.426 -19.531 143 H ASN 16 H ASN 16 -10.453 5.134 -19.305 144 HA ASN 16 HA ASN 16 -8.385 6.142 -17.490 145 HB2 ASN 16 2HB ASN 16 -9.414 4.332 -15.845 146 HB3 ASN 16 3HB ASN 16 -10.017 5.986 -15.878 147 HD21 ASN 16 1HD2 ASN 16 -10.808 2.740 -16.149 148 HD22 ASN 16 2HD2 ASN 16 -12.426 2.918 -16.727 149 H GLU 17 H GLU 17 -8.704 4.437 -20.033 150 HA GLU 17 HA GLU 17 -7.342 2.013 -19.079 151 HB2 GLU 17 2HB GLU 17 -8.899 2.637 -21.572 152 HB3 GLU 17 3HB GLU 17 -7.786 1.277 -21.522 153 HG2 GLU 17 2HG GLU 17 -9.101 0.621 -19.380 154 HG3 GLU 17 3HG GLU 17 -10.342 1.684 -20.041 155 H LEU 18 H LEU 18 -5.596 1.175 -20.525 156 HA LEU 18 HA LEU 18 -3.969 3.409 -21.547 157 HB2 LEU 18 2HB LEU 18 -2.943 2.509 -19.594 158 HB3 LEU 18 3HB LEU 18 -3.155 0.858 -20.173 159 HG LEU 18 HG LEU 18 -1.490 1.248 -21.917 160 HD11 LEU 18 1HD1 LEU 18 -0.943 3.290 -22.574 161 HD12 LEU 18 2HD1 LEU 18 -0.303 3.654 -20.971 162 HD13 LEU 18 3HD1 LEU 18 -2.000 3.969 -21.335 163 HD21 LEU 18 3HD2 LEU 18 -1.022 0.813 -19.285 164 HD22 LEU 18 1HD2 LEU 18 -0.024 2.239 -19.571 165 HD23 LEU 18 2HD2 LEU 18 0.222 0.783 -20.536 166 H ARG 19 H ARG 19 -2.800 3.117 -23.450 167 HA ARG 19 HA ARG 19 -3.955 1.203 -25.282 168 HB2 ARG 19 2HB ARG 19 -1.675 3.034 -25.960 169 HB3 ARG 19 3HB ARG 19 -2.963 2.440 -26.999 170 HG2 ARG 19 2HG ARG 19 -4.336 3.866 -25.102 171 HG3 ARG 19 3HG ARG 19 -2.860 4.809 -25.312 172 HD2 ARG 19 2HD ARG 19 -3.304 5.263 -27.524 173 HD3 ARG 19 3HD ARG 19 -4.310 3.830 -27.725 174 HE ARG 19 HE ARG 19 -5.665 5.432 -25.953 175 HH11 ARG 19 1HH1 ARG 19 -4.468 5.738 -29.208 176 HH12 ARG 19 2HH1 ARG 19 -5.708 6.844 -29.699 177 HH21 ARG 19 1HH2 ARG 19 -7.304 6.887 -26.588 178 HH22 ARG 19 2HH2 ARG 19 -7.320 7.497 -28.208 179 H LEU 20 H LEU 20 -2.622 -0.163 -26.673 180 HA LEU 20 HA LEU 20 -0.012 -0.903 -25.595 181 HB2 LEU 20 2HB LEU 20 -2.275 -2.319 -24.901 182 HB3 LEU 20 3HB LEU 20 -1.615 -3.244 -26.248 183 HG LEU 20 HG LEU 20 0.452 -3.588 -25.074 184 HD11 LEU 20 1HD1 LEU 20 0.282 -2.743 -22.537 185 HD12 LEU 20 2HD1 LEU 20 -0.603 -1.446 -23.339 186 HD13 LEU 20 3HD1 LEU 20 1.055 -1.811 -23.819 187 HD21 LEU 20 3HD2 LEU 20 -0.694 -4.490 -22.807 188 HD22 LEU 20 1HD2 LEU 20 -0.801 -5.321 -24.359 189 HD23 LEU 20 2HD2 LEU 20 -2.123 -4.284 -23.821 190 H ALA 21 H ALA 21 1.343 -1.948 -27.071 191 HA ALA 21 HA ALA 21 0.315 -2.353 -29.785 192 HB1 ALA 21 1HB ALA 21 2.147 -0.248 -28.947 193 HB2 ALA 21 2HB ALA 21 2.777 -1.234 -30.267 194 HB3 ALA 21 3HB ALA 21 1.222 -0.420 -30.439 195 H GLU 22 H GLU 22 1.253 -4.014 -30.877 196 HA GLU 22 HA GLU 22 2.518 -6.063 -29.535 197 HB2 GLU 22 2HB GLU 22 1.419 -6.304 -31.732 198 HB3 GLU 22 3HB GLU 22 2.744 -5.426 -32.482 199 HG2 GLU 22 2HG GLU 22 3.877 -7.546 -31.002 200 HG3 GLU 22 3HG GLU 22 2.527 -8.204 -31.924 201 H GLY 23 H GLY 23 4.484 -6.300 -28.712 202 HA2 GLY 23 2HA GLY 23 6.849 -6.327 -28.847 203 HA3 GLY 23 3HA GLY 23 6.769 -5.062 -30.064 204 H ASP 24 H ASP 24 4.676 -3.987 -27.879 205 HA ASP 24 HA ASP 24 6.571 -2.129 -26.754 206 HB2 ASP 24 2HB ASP 24 3.581 -2.424 -26.414 207 HB3 ASP 24 3HB ASP 24 4.533 -1.136 -25.681 208 H ILE 25 H ILE 25 7.079 -1.854 -24.585 209 HA ILE 25 HA ILE 25 6.660 -4.241 -22.931 210 HB ILE 25 HB ILE 25 8.683 -2.020 -22.612 211 HG12 ILE 25 2HG1 ILE 25 8.798 -3.818 -24.554 212 HG13 ILE 25 3HG1 ILE 25 10.243 -3.341 -23.669 213 HG21 ILE 25 1HG2 ILE 25 8.209 -4.555 -21.064 214 HG22 ILE 25 2HG2 ILE 25 9.720 -3.651 -20.993 215 HG23 ILE 25 3HG2 ILE 25 8.217 -2.898 -20.462 216 HD11 ILE 25 3HD1 ILE 25 10.328 -5.324 -22.488 217 HD12 ILE 25 1HD1 ILE 25 8.625 -5.684 -22.771 218 HD13 ILE 25 2HD1 ILE 25 9.791 -5.839 -24.086 219 H VAL 26 H VAL 26 5.770 -4.144 -20.913 220 HA VAL 26 HA VAL 26 5.025 -1.540 -19.814 221 HB VAL 26 HB VAL 26 2.721 -2.607 -19.273 222 HG11 VAL 26 1HG1 VAL 26 1.943 -1.903 -21.665 223 HG12 VAL 26 2HG1 VAL 26 2.627 -0.703 -20.567 224 HG13 VAL 26 3HG1 VAL 26 3.622 -1.397 -21.848 225 HG21 VAL 26 3HG2 VAL 26 3.520 -4.207 -21.703 226 HG22 VAL 26 1HG2 VAL 26 3.235 -4.844 -20.084 227 HG23 VAL 26 2HG2 VAL 26 1.903 -4.142 -21.002 228 H PHE 27 H PHE 27 4.343 -1.648 -17.569 229 HA PHE 27 HA PHE 27 5.439 -4.013 -16.197 230 HB2 PHE 27 2HB PHE 27 5.372 -1.141 -15.249 231 HB3 PHE 27 3HB PHE 27 5.989 -2.503 -14.321 232 HD1 PHE 27 HD1 PHE 27 7.777 -3.957 -15.727 233 HD2 PHE 27 HD2 PHE 27 6.932 0.180 -16.269 234 HE1 PHE 27 HE1 PHE 27 9.999 -3.638 -16.735 235 HE2 PHE 27 HE2 PHE 27 9.152 0.505 -17.279 236 HZ PHE 27 HZ PHE 27 10.689 -1.405 -17.513 237 H ILE 28 H ILE 28 3.807 -5.233 -15.503 238 HA ILE 28 HA ILE 28 1.213 -4.201 -14.919 239 HB ILE 28 HB ILE 28 2.238 -6.905 -14.080 240 HG12 ILE 28 2HG1 ILE 28 2.833 -6.621 -16.420 241 HG13 ILE 28 3HG1 ILE 28 1.468 -7.725 -16.291 242 HG21 ILE 28 1HG2 ILE 28 0.116 -6.594 -13.188 243 HG22 ILE 28 2HG2 ILE 28 -0.453 -5.701 -14.598 244 HG23 ILE 28 3HG2 ILE 28 -0.207 -7.444 -14.699 245 HD11 ILE 28 3HD1 ILE 28 1.646 -5.066 -17.525 246 HD12 ILE 28 1HD1 ILE 28 0.649 -6.457 -17.950 247 HD13 ILE 28 2HD1 ILE 28 0.166 -5.397 -16.625 248 H SER 29 H SER 29 1.057 -2.841 -13.226 249 HA SER 29 HA SER 29 2.575 -3.019 -10.854 250 HB2 SER 29 2HB SER 29 0.083 -1.525 -11.628 251 HB3 SER 29 3HB SER 29 0.672 -1.485 -9.966 252 HG SER 29 HG SER 29 1.508 0.238 -11.225 253 H TYR 30 H TYR 30 -0.651 -4.170 -11.714 254 HA TYR 30 HA TYR 30 -0.586 -6.298 -9.871 255 HB2 TYR 30 2HB TYR 30 -2.150 -5.599 -8.202 256 HB3 TYR 30 3HB TYR 30 -0.896 -4.367 -8.285 257 HD1 TYR 30 HD1 TYR 30 -4.400 -5.147 -9.099 258 HD2 TYR 30 HD2 TYR 30 -1.395 -2.135 -9.016 259 HE1 TYR 30 HE1 TYR 30 -6.122 -3.427 -9.451 260 HE2 TYR 30 HE2 TYR 30 -3.109 -0.407 -9.367 261 HH TYR 30 HH TYR 30 -5.606 -0.178 -8.944 262 H LYS 31 H LYS 31 -2.354 -7.693 -10.093 263 HA LYS 31 HA LYS 31 -3.834 -7.343 -12.544 264 HB2 LYS 31 2HB LYS 31 -3.055 -9.537 -12.221 265 HB3 LYS 31 3HB LYS 31 -3.572 -9.569 -10.540 266 HG2 LYS 31 2HG LYS 31 -5.852 -9.783 -11.155 267 HG3 LYS 31 3HG LYS 31 -5.493 -9.440 -12.849 268 HD2 LYS 31 2HD LYS 31 -4.525 -11.525 -13.195 269 HD3 LYS 31 3HD LYS 31 -4.228 -11.781 -11.473 270 HE2 LYS 31 2HE LYS 31 -7.048 -11.449 -12.040 271 HE3 LYS 31 3HE LYS 31 -6.350 -12.773 -12.972 272 HZ1 LYS 31 3HZ LYS 31 -6.455 -12.453 -10.036 273 HZ2 LYS 31 1HZ LYS 31 -5.359 -13.513 -10.768 274 HZ3 LYS 31 2HZ LYS 31 -7.021 -13.739 -10.978 275 H HIS 32 H HIS 32 -6.045 -7.151 -12.775 276 HA HIS 32 HA HIS 32 -7.615 -6.745 -10.323 277 HB2 HIS 32 2HB HIS 32 -6.825 -4.583 -11.510 278 HB3 HIS 32 3HB HIS 32 -8.016 -4.999 -12.739 279 HD1 HIS 32 HD1 HIS 32 -8.091 -4.813 -8.929 280 HD2 HIS 32 HD2 HIS 32 -10.306 -3.673 -12.254 281 HE1 HIS 32 HE1 HIS 32 -10.112 -3.627 -8.016 282 H GLY 33 H GLY 33 -9.906 -7.045 -10.573 283 HA2 GLY 33 2HA GLY 33 -10.591 -9.295 -12.101 284 HA3 GLY 33 3HA GLY 33 -11.734 -8.220 -11.309 285 H GLN 34 H GLN 34 -12.880 -9.012 -13.376 286 HA GLN 34 HA GLN 34 -13.864 -8.423 -15.341 287 HB2 GLN 34 2HB GLN 34 -12.313 -5.840 -15.143 288 HB3 GLN 34 3HB GLN 34 -13.787 -6.131 -16.057 289 HG2 GLN 34 2HG GLN 34 -13.591 -6.269 -13.058 290 HG3 GLN 34 3HG GLN 34 -14.128 -4.855 -13.964 291 HE21 GLN 34 1HE2 GLN 34 -15.948 -5.307 -15.521 292 HE22 GLN 34 2HE2 GLN 34 -17.216 -6.335 -14.956 293 H GLY 35 H GLY 35 -10.896 -9.371 -15.046 294 HA2 GLY 35 2HA GLY 35 -9.342 -10.181 -16.536 295 HA3 GLY 35 3HA GLY 35 -10.469 -9.779 -17.824 296 H TRP 36 H TRP 36 -9.310 -7.388 -15.560 297 HA TRP 36 HA TRP 36 -7.631 -6.244 -17.694 298 HB2 TRP 36 2HB TRP 36 -9.501 -4.831 -15.789 299 HB3 TRP 36 3HB TRP 36 -8.270 -3.991 -16.729 300 HD1 TRP 36 HD1 TRP 36 -11.755 -5.334 -16.965 301 HE1 TRP 36 HE1 TRP 36 -12.678 -4.956 -19.338 302 HE3 TRP 36 HE3 TRP 36 -7.425 -3.961 -19.310 303 HZ2 TRP 36 HZ2 TRP 36 -11.699 -4.179 -21.869 304 HZ3 TRP 36 HZ3 TRP 36 -7.504 -3.417 -21.708 305 HH2 TRP 36 HH2 TRP 36 -9.597 -3.525 -22.960 306 H LEU 37 H LEU 37 -5.624 -5.584 -17.140 307 HA LEU 37 HA LEU 37 -4.902 -5.714 -14.286 308 HB2 LEU 37 2HB LEU 37 -2.865 -6.198 -16.396 309 HB3 LEU 37 3HB LEU 37 -2.952 -6.822 -14.750 310 HG LEU 37 HG LEU 37 -4.504 -7.785 -17.149 311 HD11 LEU 37 1HD1 LEU 37 -2.599 -8.950 -17.392 312 HD12 LEU 37 2HD1 LEU 37 -3.251 -9.929 -16.079 313 HD13 LEU 37 3HD1 LEU 37 -2.082 -8.656 -15.732 314 HD21 LEU 37 3HD2 LEU 37 -5.156 -7.914 -14.351 315 HD22 LEU 37 1HD2 LEU 37 -4.862 -9.530 -14.993 316 HD23 LEU 37 2HD2 LEU 37 -6.073 -8.490 -15.744 317 H VAL 38 H VAL 38 -3.950 -3.972 -13.434 318 HA VAL 38 HA VAL 38 -3.647 -1.604 -15.023 319 HB VAL 38 HB VAL 38 -2.910 -2.098 -12.134 320 HG11 VAL 38 1HG1 VAL 38 -2.704 0.260 -13.898 321 HG12 VAL 38 2HG1 VAL 38 -3.359 0.544 -12.284 322 HG13 VAL 38 3HG1 VAL 38 -1.762 -0.180 -12.474 323 HG21 VAL 38 3HG2 VAL 38 -5.045 -0.669 -11.837 324 HG22 VAL 38 1HG2 VAL 38 -5.417 -1.173 -13.485 325 HG23 VAL 38 2HG2 VAL 38 -5.215 -2.382 -12.217 326 H ALA 39 H ALA 39 -1.945 -1.304 -16.297 327 HA ALA 39 HA ALA 39 0.726 -1.908 -15.228 328 HB1 ALA 39 1HB ALA 39 -0.355 -3.489 -17.104 329 HB2 ALA 39 2HB ALA 39 0.367 -2.256 -18.138 330 HB3 ALA 39 3HB ALA 39 1.373 -3.152 -17.001 331 H GLU 40 H GLU 40 2.456 -0.666 -16.213 332 HA GLU 40 HA GLU 40 1.495 1.913 -17.267 333 HB2 GLU 40 2HB GLU 40 3.301 3.004 -16.160 334 HB3 GLU 40 3HB GLU 40 2.547 1.940 -14.981 335 HG2 GLU 40 2HG GLU 40 4.547 0.411 -16.187 336 HG3 GLU 40 3HG GLU 40 5.259 2.001 -15.922 337 H ASN 41 H ASN 41 2.879 3.019 -18.781 338 HA ASN 41 HA ASN 41 3.908 1.271 -20.782 339 HB2 ASN 41 2HB ASN 41 4.073 3.146 -22.135 340 HB3 ASN 41 3HB ASN 41 2.816 3.642 -21.006 341 HD21 ASN 41 1HD2 ASN 41 4.251 4.306 -18.795 342 HD22 ASN 41 2HD2 ASN 41 5.272 5.657 -19.137 343 H GLU 42 H GLU 42 6.131 2.266 -21.822 344 HA GLU 42 HA GLU 42 8.165 1.340 -20.065 345 HB2 GLU 42 2HB GLU 42 7.988 2.268 -22.853 346 HB3 GLU 42 3HB GLU 42 9.533 2.583 -22.075 347 HG2 GLU 42 2HG GLU 42 9.304 0.061 -21.359 348 HG3 GLU 42 3HG GLU 42 8.247 -0.002 -22.768 349 H SER 43 H SER 43 7.144 4.532 -21.168 350 HA SER 43 HA SER 43 9.248 6.061 -20.190 351 HB2 SER 43 2HB SER 43 6.338 6.890 -20.190 352 HB3 SER 43 3HB SER 43 7.747 7.948 -20.272 353 HG SER 43 HG SER 43 7.255 7.767 -22.346 354 H GLY 44 H GLY 44 6.774 4.375 -18.491 355 HA2 GLY 44 2HA GLY 44 6.432 4.055 -16.242 356 HA3 GLY 44 3HA GLY 44 7.990 4.822 -15.974 357 H SER 45 H SER 45 5.890 6.767 -17.768 358 HA SER 45 HA SER 45 5.306 8.363 -15.366 359 HB2 SER 45 2HB SER 45 5.891 9.083 -18.212 360 HB3 SER 45 3HB SER 45 4.892 10.168 -17.245 361 HG SER 45 HG SER 45 7.396 10.282 -17.282 362 H LYS 46 H LYS 46 3.892 6.456 -17.780 363 HA LYS 46 HA LYS 46 1.230 7.545 -17.135 364 HB2 LYS 46 2HB LYS 46 0.602 7.505 -19.303 365 HB3 LYS 46 3HB LYS 46 2.332 7.544 -19.618 366 HG2 LYS 46 2HG LYS 46 2.322 5.071 -19.733 367 HG3 LYS 46 3HG LYS 46 0.566 5.107 -19.549 368 HD2 LYS 46 2HD LYS 46 1.039 4.913 -21.879 369 HD3 LYS 46 3HD LYS 46 0.472 6.560 -21.590 370 HE2 LYS 46 2HE LYS 46 3.195 6.763 -21.242 371 HE3 LYS 46 3HE LYS 46 3.049 5.607 -22.564 372 HZ1 LYS 46 3HZ LYS 46 1.282 7.810 -22.910 373 HZ2 LYS 46 1HZ LYS 46 2.477 7.221 -23.953 374 HZ3 LYS 46 2HZ LYS 46 2.880 8.339 -22.749 375 H THR 47 H THR 47 -0.272 6.156 -16.390 376 HA THR 47 HA THR 47 0.228 3.274 -16.604 377 HB THR 47 HB THR 47 -0.644 4.496 -13.990 378 HG1 THR 47 HG1 THR 47 1.467 4.495 -13.343 379 HG21 THR 47 3HG2 THR 47 0.412 2.241 -13.239 380 HG22 THR 47 1HG2 THR 47 0.208 1.782 -14.929 381 HG23 THR 47 2HG2 THR 47 -1.196 2.241 -13.964 382 H GLY 48 H GLY 48 -1.577 2.048 -16.862 383 HA2 GLY 48 2HA GLY 48 -4.196 3.086 -16.191 384 HA3 GLY 48 3HA GLY 48 -3.884 2.961 -17.916 385 H LEU 49 H LEU 49 -5.581 1.429 -18.093 386 HA LEU 49 HA LEU 49 -5.052 -1.181 -16.854 387 HB2 LEU 49 2HB LEU 49 -7.547 -0.192 -18.226 388 HB3 LEU 49 3HB LEU 49 -7.358 -1.734 -17.393 389 HG LEU 49 HG LEU 49 -6.905 0.764 -15.840 390 HD11 LEU 49 1HD1 LEU 49 -9.395 0.727 -15.329 391 HD12 LEU 49 2HD1 LEU 49 -9.575 -0.210 -16.812 392 HD13 LEU 49 3HD1 LEU 49 -8.907 1.421 -16.876 393 HD21 LEU 49 3HD2 LEU 49 -7.563 -0.544 -14.024 394 HD22 LEU 49 1HD2 LEU 49 -6.643 -1.660 -15.033 395 HD23 LEU 49 2HD2 LEU 49 -8.406 -1.709 -15.046 396 H VAL 50 H VAL 50 -4.446 -2.880 -18.047 397 HA VAL 50 HA VAL 50 -4.691 -2.694 -20.975 398 HB VAL 50 HB VAL 50 -2.516 -3.649 -21.292 399 HG11 VAL 50 1HG1 VAL 50 -1.840 -1.627 -19.233 400 HG12 VAL 50 2HG1 VAL 50 -1.299 -1.767 -20.907 401 HG13 VAL 50 3HG1 VAL 50 -2.903 -1.124 -20.547 402 HG21 VAL 50 3HG2 VAL 50 -1.021 -4.183 -19.435 403 HG22 VAL 50 1HG2 VAL 50 -2.289 -3.754 -18.285 404 HG23 VAL 50 2HG2 VAL 50 -2.500 -5.141 -19.354 405 HA PRO 51 HA PRO 51 -6.433 -6.724 -20.848 406 HB2 PRO 51 2HB PRO 51 -5.623 -7.707 -23.245 407 HB3 PRO 51 3HB PRO 51 -6.873 -6.468 -23.088 408 HG2 PRO 51 2HG PRO 51 -3.971 -6.158 -23.757 409 HG3 PRO 51 3HG PRO 51 -5.379 -5.362 -24.486 410 HD2 PRO 51 2HD PRO 51 -3.806 -4.144 -22.649 411 HD3 PRO 51 3HD PRO 51 -5.546 -3.818 -22.782 412 H GLU 52 H GLU 52 -5.937 -8.792 -20.250 413 HA GLU 52 HA GLU 52 -3.129 -9.347 -19.719 414 HB2 GLU 52 2HB GLU 52 -4.822 -9.677 -17.942 415 HB3 GLU 52 3HB GLU 52 -5.593 -10.910 -18.929 416 HG2 GLU 52 2HG GLU 52 -2.713 -11.153 -18.174 417 HG3 GLU 52 3HG GLU 52 -3.984 -11.622 -17.047 418 H GLU 53 H GLU 53 -5.717 -10.413 -21.785 419 HA GLU 53 HA GLU 53 -4.305 -12.793 -22.644 420 HB2 GLU 53 2HB GLU 53 -6.982 -11.969 -22.650 421 HB3 GLU 53 3HB GLU 53 -6.517 -12.030 -24.344 422 HG2 GLU 53 2HG GLU 53 -7.115 -14.181 -24.159 423 HG3 GLU 53 3HG GLU 53 -5.492 -14.365 -23.496 424 H PHE 54 H PHE 54 -3.588 -9.761 -23.140 425 HA PHE 54 HA PHE 54 -2.933 -10.135 -25.989 426 HB2 PHE 54 2HB PHE 54 -4.167 -7.883 -24.591 427 HB3 PHE 54 3HB PHE 54 -2.771 -7.411 -25.553 428 HD1 PHE 54 HD2 PHE 54 -5.178 -10.127 -26.286 429 HD2 PHE 54 HD1 PHE 54 -3.779 -6.239 -27.306 430 HE1 PHE 54 HE2 PHE 54 -6.569 -10.162 -28.315 431 HE2 PHE 54 HE1 PHE 54 -5.169 -6.267 -29.336 432 HZ PHE 54 HZ PHE 54 -6.566 -8.231 -29.843 433 H VAL 55 H VAL 55 -1.705 -9.984 -22.918 434 HA VAL 55 HA VAL 55 0.933 -9.118 -23.910 435 HB VAL 55 HB VAL 55 1.442 -8.466 -21.536 436 HG11 VAL 55 1HG1 VAL 55 0.888 -6.340 -22.017 437 HG12 VAL 55 2HG1 VAL 55 0.337 -7.021 -23.549 438 HG13 VAL 55 3HG1 VAL 55 -0.816 -6.727 -22.248 439 HG21 VAL 55 3HG2 VAL 55 -0.562 -7.954 -20.114 440 HG22 VAL 55 1HG2 VAL 55 -1.524 -8.905 -21.246 441 HG23 VAL 55 2HG2 VAL 55 -0.225 -9.671 -20.332 442 H SER 56 H SER 56 2.757 -10.026 -22.562 443 HA SER 56 HA SER 56 2.150 -12.682 -21.481 444 HB2 SER 56 2HB SER 56 2.781 -13.050 -23.815 445 HB3 SER 56 3HB SER 56 4.260 -12.119 -23.580 446 HG SER 56 HG SER 56 5.122 -13.732 -22.450 447 H TYR 57 H TYR 57 2.964 -12.778 -19.506 448 HA TYR 57 HA TYR 57 4.654 -10.926 -18.336 449 HB2 TYR 57 2HB TYR 57 3.757 -13.672 -17.650 450 HB3 TYR 57 3HB TYR 57 5.161 -13.058 -16.784 451 HD1 TYR 57 HD2 TYR 57 2.156 -11.202 -17.957 452 HD2 TYR 57 HD1 TYR 57 4.362 -12.663 -14.626 453 HE1 TYR 57 HE2 TYR 57 0.671 -9.962 -16.438 454 HE2 TYR 57 HE1 TYR 57 2.883 -11.428 -13.097 455 HH TYR 57 HH TYR 57 0.228 -10.536 -13.427 456 H ILE 58 H ILE 58 6.804 -10.640 -18.203 457 HA ILE 58 HA ILE 58 8.500 -12.503 -19.716 458 HB ILE 58 HB ILE 58 9.175 -9.687 -18.867 459 HG12 ILE 58 2HG1 ILE 58 8.215 -10.660 -21.566 460 HG13 ILE 58 3HG1 ILE 58 7.229 -9.766 -20.414 461 HG21 ILE 58 1HG2 ILE 58 10.481 -11.667 -20.716 462 HG22 ILE 58 2HG2 ILE 58 10.870 -9.948 -20.718 463 HG23 ILE 58 3HG2 ILE 58 11.157 -10.915 -19.271 464 HD11 ILE 58 3HD1 ILE 58 7.901 -7.942 -21.480 465 HD12 ILE 58 1HD1 ILE 58 9.464 -8.186 -20.701 466 HD13 ILE 58 2HD1 ILE 58 9.181 -8.811 -22.326 467 H GLN 59 H GLN 59 10.426 -13.284 -18.863 468 HA GLN 59 HA GLN 59 10.886 -12.790 -16.001 469 HB2 GLN 59 2HB GLN 59 10.286 -15.331 -17.359 470 HB3 GLN 59 3HB GLN 59 11.672 -15.388 -16.278 471 HG2 GLN 59 2HG GLN 59 10.407 -15.244 -14.439 472 HG3 GLN 59 3HG GLN 59 9.317 -14.059 -15.158 473 HE21 GLN 59 1HE2 GLN 59 8.816 -16.510 -13.570 474 HE22 GLN 59 2HE2 GLN 59 7.730 -17.454 -14.525 475 HA PRO 60 HA PRO 60 15.141 -12.323 -16.955 476 HB2 PRO 60 2HB PRO 60 16.354 -13.499 -14.830 477 HB3 PRO 60 3HB PRO 60 15.507 -11.952 -14.717 478 HG2 PRO 60 2HG PRO 60 14.555 -14.692 -13.974 479 HG3 PRO 60 3HG PRO 60 14.358 -13.163 -13.097 480 HD2 PRO 60 2HD PRO 60 12.385 -14.242 -14.605 481 HD3 PRO 60 3HD PRO 60 12.592 -12.489 -14.416 482 H GLU 61 H GLU 61 14.513 -15.600 -15.685 483 HA GLU 61 HA GLU 61 15.780 -16.759 -18.023 484 HB2 GLU 61 2HB GLU 61 16.955 -16.872 -15.277 485 HB3 GLU 61 3HB GLU 61 17.109 -18.277 -16.323 486 HG2 GLU 61 2HG GLU 61 18.009 -15.497 -17.041 487 HG3 GLU 61 3HG GLU 61 19.055 -16.769 -16.412 488 H LEU 62 H LEU 62 13.133 -16.675 -16.612 489 HA LEU 62 HA LEU 62 12.777 -19.571 -16.201 490 HB2 LEU 62 2HB LEU 62 10.792 -17.539 -15.277 491 HB3 LEU 62 3HB LEU 62 11.093 -19.164 -14.666 492 HG LEU 62 HG LEU 62 12.867 -16.762 -14.234 493 HD11 LEU 62 1HD1 LEU 62 11.172 -16.314 -12.789 494 HD12 LEU 62 2HD1 LEU 62 12.090 -17.440 -11.790 495 HD13 LEU 62 3HD1 LEU 62 10.671 -18.002 -12.674 496 HD21 LEU 62 3HD2 LEU 62 13.162 -19.659 -13.660 497 HD22 LEU 62 1HD2 LEU 62 13.723 -18.516 -12.440 498 HD23 LEU 62 2HD2 LEU 62 14.382 -18.454 -14.075 499 H GLU 63 H GLU 63 10.539 -20.352 -16.783 500 HA GLU 63 HA GLU 63 9.650 -19.048 -19.273 501 HB2 GLU 63 2HB GLU 63 9.048 -21.259 -20.118 502 HB3 GLU 63 3HB GLU 63 10.752 -21.199 -19.693 503 HG2 GLU 63 2HG GLU 63 10.222 -22.309 -17.554 504 HG3 GLU 63 3HG GLU 63 8.543 -22.443 -18.073 505 H1 GLY -9 H GLY -9 -2.436 6.294 -9.458 506 HA2 GLY -9 2HA GLY -9 -4.813 7.093 -9.356 507 HA3 GLY -9 3HA GLY -9 -4.463 6.170 -10.809 508 H LYS -8 H LYS -8 -7.038 6.372 -9.944 509 HA LYS -8 HA LYS -8 -7.581 3.735 -8.747 510 HB2 LYS -8 2HB LYS -8 -8.955 6.373 -8.522 511 HB3 LYS -8 3HB LYS -8 -9.939 4.918 -8.444 512 HG2 LYS -8 2HG LYS -8 -8.122 4.194 -6.679 513 HG3 LYS -8 3HG LYS -8 -7.901 5.940 -6.540 514 HD2 LYS -8 2HD LYS -8 -10.542 5.900 -6.397 515 HD3 LYS -8 3HD LYS -8 -10.249 4.253 -5.834 516 HE2 LYS -8 2HE LYS -8 -8.901 5.033 -4.028 517 HE3 LYS -8 3HE LYS -8 -8.892 6.676 -4.668 518 HZ1 LYS -8 3HZ LYS -8 -11.464 5.427 -4.005 519 HZ2 LYS -8 1HZ LYS -8 -11.019 7.059 -3.968 520 HZ3 LYS -8 2HZ LYS -8 -10.497 6.013 -2.746 521 H PHE -7 H PHE -7 -7.311 2.801 -10.880 522 HA PHE -7 HA PHE -7 -9.189 3.523 -12.951 523 HB2 PHE -7 2HB PHE -7 -7.401 1.092 -12.892 524 HB3 PHE -7 3HB PHE -7 -8.096 1.887 -14.301 525 HD1 PHE -7 HD2 PHE -7 -7.499 4.691 -13.831 526 HD2 PHE -7 HD1 PHE -7 -5.112 1.241 -13.113 527 HE1 PHE -7 HE2 PHE -7 -5.464 6.055 -14.064 528 HE2 PHE -7 HE1 PHE -7 -3.073 2.600 -13.344 529 HZ PHE -7 HZ PHE -7 -3.248 5.010 -13.821 530 H ILE -6 H ILE -6 -10.996 2.424 -13.572 531 HA ILE -6 HA ILE -6 -11.681 -0.078 -12.237 532 HB ILE -6 HB ILE -6 -13.454 2.364 -12.126 533 HG12 ILE -6 2HG1 ILE -6 -11.611 2.297 -10.457 534 HG13 ILE -6 3HG1 ILE -6 -13.206 2.201 -9.719 535 HG21 ILE -6 1HG2 ILE -6 -13.966 -0.526 -11.533 536 HG22 ILE -6 2HG2 ILE -6 -14.868 0.742 -10.705 537 HG23 ILE -6 3HG2 ILE -6 -14.943 0.612 -12.462 538 HD11 ILE -6 3HD1 ILE -6 -11.071 0.528 -9.245 539 HD12 ILE -6 1HD1 ILE -6 -12.750 0.240 -8.791 540 HD13 ILE -6 2HD1 ILE -6 -12.119 -0.416 -10.302 541 HA PRO -5 HA PRO -5 -12.817 -0.175 -16.677 542 HB2 PRO -5 2HB PRO -5 -12.249 -2.813 -16.973 543 HB3 PRO -5 3HB PRO -5 -11.020 -1.548 -17.086 544 HG2 PRO -5 2HG PRO -5 -11.693 -3.334 -14.780 545 HG3 PRO -5 3HG PRO -5 -10.101 -2.856 -15.397 546 HD2 PRO -5 2HD PRO -5 -11.227 -1.702 -13.222 547 HD3 PRO -5 3HD PRO -5 -10.161 -0.814 -14.329 548 H SER -4 H SER -4 -14.851 -0.493 -17.318 549 HA SER -4 HA SER -4 -16.466 -2.524 -15.920 550 HB2 SER -4 2HB SER -4 -17.221 -0.363 -15.165 551 HB3 SER -4 3HB SER -4 -17.296 0.243 -16.820 552 HG SER -4 HG SER -4 -19.276 -0.438 -16.793 553 H ARG -3 H ARG -3 -15.389 -3.624 -17.925 554 HA ARG -3 HA ARG -3 -17.443 -4.188 -19.765 555 HB2 ARG -3 2HB ARG -3 -16.669 -3.225 -21.781 556 HB3 ARG -3 3HB ARG -3 -16.641 -1.926 -20.597 557 HG2 ARG -3 2HG ARG -3 -14.210 -2.347 -20.285 558 HG3 ARG -3 3HG ARG -3 -14.292 -3.510 -21.609 559 HD2 ARG -3 2HD ARG -3 -14.989 -0.581 -21.784 560 HD3 ARG -3 3HD ARG -3 -13.501 -1.322 -22.372 561 HE ARG -3 HE ARG -3 -16.034 -1.292 -23.682 562 HH11 ARG -3 1HH1 ARG -3 -13.130 -3.161 -23.239 563 HH12 ARG -3 2HH1 ARG -3 -13.271 -3.982 -24.759 564 HH21 ARG -3 1HH2 ARG -3 -16.230 -2.366 -25.685 565 HH22 ARG -3 2HH2 ARG -3 -15.034 -3.528 -26.149 566 HA PRO -2 HA PRO -2 -15.001 -7.804 -20.247 567 HB2 PRO -2 2HB PRO -2 -15.827 -8.671 -22.683 568 HB3 PRO -2 3HB PRO -2 -16.838 -8.766 -21.236 569 HG2 PRO -2 2HG PRO -2 -16.873 -6.743 -23.443 570 HG3 PRO -2 3HG PRO -2 -18.235 -7.532 -22.627 571 HD2 PRO -2 2HD PRO -2 -17.431 -5.019 -22.019 572 HD3 PRO -2 3HD PRO -2 -18.132 -6.116 -20.811 573 H ALA -1 H ALA -1 -12.980 -8.268 -20.888 574 HA ALA -1 HA ALA -1 -11.546 -6.450 -22.550 575 HB1 ALA -1 1HB ALA -1 -10.608 -7.718 -20.587 576 HB2 ALA -1 2HB ALA -1 -10.588 -9.147 -21.621 577 HB3 ALA -1 3HB ALA -1 -9.619 -7.737 -22.048 578 HA PRO 0 HA PRO 0 -11.991 -8.271 -26.522 579 HB2 PRO 0 2HB PRO 0 -9.579 -7.690 -27.623 580 HB3 PRO 0 3HB PRO 0 -10.825 -6.469 -27.340 581 HG2 PRO 0 2HG PRO 0 -8.407 -7.124 -25.701 582 HG3 PRO 0 3HG PRO 0 -9.063 -5.536 -26.142 583 HD2 PRO 0 2HD PRO 0 -9.478 -6.660 -23.714 584 HD3 PRO 0 3HD PRO 0 -10.673 -5.604 -24.493 585 H LYS 1 H LYS 1 -10.705 -9.704 -28.124 586 HA LYS 1 HA LYS 1 -9.243 -11.777 -26.626 587 HB2 LYS 1 2HB LYS 1 -10.302 -13.433 -28.202 588 HB3 LYS 1 3HB LYS 1 -11.403 -12.689 -27.050 589 HG2 LYS 1 2HG LYS 1 -12.436 -11.397 -28.677 590 HG3 LYS 1 3HG LYS 1 -11.085 -11.560 -29.802 591 HD2 LYS 1 2HD LYS 1 -11.664 -13.772 -30.344 592 HD3 LYS 1 3HD LYS 1 -12.728 -13.926 -28.944 593 HE2 LYS 1 2HE LYS 1 -13.286 -11.906 -31.085 594 HE3 LYS 1 3HE LYS 1 -13.772 -13.589 -31.286 595 HZ1 LYS 1 3HZ LYS 1 -14.535 -12.629 -28.731 596 HZ2 LYS 1 1HZ LYS 1 -15.503 -13.263 -29.966 597 HZ3 LYS 1 2HZ LYS 1 -15.141 -11.611 -29.938 598 HA PRO 2 HA PRO 2 -6.077 -11.504 -29.656 599 HB2 PRO 2 2HB PRO 2 -5.189 -14.069 -29.722 600 HB3 PRO 2 3HB PRO 2 -4.879 -12.980 -28.365 601 HG2 PRO 2 2HG PRO 2 -6.958 -15.116 -28.644 602 HG3 PRO 2 3HG PRO 2 -5.933 -14.728 -27.251 603 HD2 PRO 2 2HD PRO 2 -8.514 -13.930 -27.426 604 HD3 PRO 2 3HD PRO 2 -7.274 -12.973 -26.592 605 HA PRO 3 HA PRO 3 -7.506 -12.700 -33.639 606 HB2 PRO 3 2HB PRO 3 -5.179 -13.120 -34.972 607 HB3 PRO 3 3HB PRO 3 -5.747 -11.510 -34.515 608 HG2 PRO 3 2HG PRO 3 -3.724 -13.257 -33.168 609 HG3 PRO 3 3HG PRO 3 -3.664 -11.513 -33.481 610 HD2 PRO 3 2HD PRO 3 -4.323 -12.537 -31.063 611 HD3 PRO 3 3HD PRO 3 -5.004 -11.015 -31.673 612 H SER 4 H SER 4 -7.200 -14.419 -35.389 613 HA SER 4 HA SER 4 -6.709 -17.028 -34.108 614 HB2 SER 4 2HB SER 4 -8.681 -16.443 -36.328 615 HB3 SER 4 3HB SER 4 -8.474 -17.973 -35.475 616 HG SER 4 HG SER 4 -9.269 -17.026 -33.621 617 H SER 5 H SER 5 -5.541 -18.549 -35.204 618 HA SER 5 HA SER 5 -4.140 -17.592 -37.596 619 HB2 SER 5 2HB SER 5 -2.840 -18.342 -35.559 620 HB3 SER 5 3HB SER 5 -3.420 -19.976 -35.882 621 HG SER 5 HG SER 5 -1.288 -19.023 -36.844 622 H ALA 6 H ALA 6 -3.964 -18.844 -39.458 623 HA ALA 6 HA ALA 6 -5.339 -21.384 -39.638 624 HB1 ALA 6 1HB ALA 6 -6.370 -18.933 -41.046 625 HB2 ALA 6 2HB ALA 6 -6.767 -20.575 -41.552 626 HB3 ALA 6 3HB ALA 6 -7.240 -20.008 -39.951 Start of MODEL 3 1 H1 MET -4 H MET -4 2.055 1.462 -0.161 2 HA MET -4 HA MET -4 4.003 0.873 -2.092 3 HB2 MET -4 2HB MET -4 3.755 0.175 0.827 4 HB3 MET -4 3HB MET -4 5.146 -0.316 -0.130 5 HG2 MET -4 2HG MET -4 4.337 2.547 -0.132 6 HG3 MET -4 3HG MET -4 5.174 1.892 1.274 7 HE1 MET -4 3HE MET -4 7.394 -0.145 0.126 8 HE2 MET -4 1HE MET -4 8.667 1.076 0.102 9 HE3 MET -4 2HE MET -4 7.461 1.085 1.390 10 H ALA -3 H ALA -3 1.545 -0.531 -2.636 11 HA ALA -3 HA ALA -3 2.374 -3.336 -2.319 12 HB1 ALA -3 1HB ALA -3 -0.041 -3.768 -3.075 13 HB2 ALA -3 2HB ALA -3 0.220 -3.139 -1.447 14 HB3 ALA -3 3HB ALA -3 -0.305 -2.057 -2.737 15 H ILE -2 H ILE -2 3.951 -2.521 -4.103 16 HA ILE -2 HA ILE -2 2.709 -3.117 -6.707 17 HB ILE -2 HB ILE -2 4.978 -1.190 -6.198 18 HG12 ILE -2 2HG1 ILE -2 3.160 0.321 -7.397 19 HG13 ILE -2 3HG1 ILE -2 2.054 -0.867 -6.716 20 HG21 ILE -2 1HG2 ILE -2 4.007 -0.920 -8.811 21 HG22 ILE -2 2HG2 ILE -2 5.570 -1.559 -8.306 22 HG23 ILE -2 3HG2 ILE -2 4.207 -2.652 -8.545 23 HD11 ILE -2 3HD1 ILE -2 3.260 1.366 -5.459 24 HD12 ILE -2 1HD1 ILE -2 2.117 0.204 -4.788 25 HD13 ILE -2 2HD1 ILE -2 3.851 -0.098 -4.674 26 H VAL -1 H VAL -1 3.423 -4.976 -7.490 27 HA VAL -1 HA VAL -1 5.681 -6.341 -6.436 28 HB VAL -1 HB VAL -1 3.700 -7.491 -7.402 29 HG11 VAL -1 1HG1 VAL -1 4.773 -7.137 -10.144 30 HG12 VAL -1 2HG1 VAL -1 3.117 -7.410 -9.600 31 HG13 VAL -1 3HG1 VAL -1 3.841 -5.808 -9.454 32 HG21 VAL -1 3HG2 VAL -1 4.999 -9.284 -7.636 33 HG22 VAL -1 1HG2 VAL -1 5.718 -8.644 -9.114 34 HG23 VAL -1 2HG2 VAL -1 6.390 -8.205 -7.543 35 H ASN 1 H ASN 1 5.178 -4.232 -9.167 36 HA ASN 1 HA ASN 1 6.610 -3.276 -10.652 37 HB2 ASN 1 2HB ASN 1 7.952 -3.174 -8.355 38 HB3 ASN 1 3HB ASN 1 9.016 -4.287 -9.210 39 HD21 ASN 1 1HD2 ASN 1 7.291 -1.237 -9.766 40 HD22 ASN 1 2HD2 ASN 1 8.583 -0.465 -10.614 41 H GLN 2 H GLN 2 5.640 -5.619 -11.493 42 HA GLN 2 HA GLN 2 7.930 -7.140 -12.531 43 HB2 GLN 2 2HB GLN 2 6.128 -8.365 -11.281 44 HB3 GLN 2 3HB GLN 2 5.015 -7.930 -12.572 45 HG2 GLN 2 2HG GLN 2 5.806 -10.179 -12.891 46 HG3 GLN 2 3HG GLN 2 6.422 -9.140 -14.175 47 HE21 GLN 2 1HE2 GLN 2 8.161 -10.423 -14.662 48 HE22 GLN 2 2HE2 GLN 2 9.509 -10.630 -13.602 49 H ARG 3 H ARG 3 8.476 -6.979 -14.604 50 HA ARG 3 HA ARG 3 6.983 -5.245 -16.348 51 HB2 ARG 3 2HB ARG 3 8.809 -5.413 -17.842 52 HB3 ARG 3 3HB ARG 3 9.514 -5.411 -16.231 53 HG2 ARG 3 2HG ARG 3 9.154 -8.082 -16.710 54 HG3 ARG 3 3HG ARG 3 9.578 -7.456 -18.305 55 HD2 ARG 3 2HD ARG 3 11.676 -6.832 -17.654 56 HD3 ARG 3 3HD ARG 3 11.188 -6.542 -15.985 57 HE ARG 3 HE ARG 3 10.962 -9.219 -16.216 58 HH11 ARG 3 1HH1 ARG 3 13.518 -6.982 -16.980 59 HH12 ARG 3 2HH1 ARG 3 14.785 -8.124 -16.679 60 HH21 ARG 3 1HH2 ARG 3 12.622 -10.732 -15.816 61 HH22 ARG 3 2HH2 ARG 3 14.274 -10.257 -16.018 62 H ALA 4 H ALA 4 6.374 -5.877 -18.554 63 HA ALA 4 HA ALA 4 5.936 -8.680 -19.091 64 HB1 ALA 4 1HB ALA 4 3.439 -7.060 -19.111 65 HB2 ALA 4 2HB ALA 4 3.658 -8.798 -18.906 66 HB3 ALA 4 3HB ALA 4 4.023 -7.701 -17.575 67 H VAL 5 H VAL 5 5.228 -9.087 -21.248 68 HA VAL 5 HA VAL 5 5.756 -6.827 -23.051 69 HB VAL 5 HB VAL 5 7.206 -8.845 -23.264 70 HG11 VAL 5 1HG1 VAL 5 5.284 -10.433 -24.733 71 HG12 VAL 5 2HG1 VAL 5 6.386 -10.909 -23.438 72 HG13 VAL 5 3HG1 VAL 5 4.807 -10.226 -23.048 73 HG21 VAL 5 3HG2 VAL 5 7.192 -8.882 -25.654 74 HG22 VAL 5 1HG2 VAL 5 5.503 -8.377 -25.705 75 HG23 VAL 5 2HG2 VAL 5 6.742 -7.257 -25.139 76 H ALA 6 H ALA 6 4.437 -6.480 -24.882 77 HA ALA 6 HA ALA 6 1.654 -7.206 -24.443 78 HB1 ALA 6 1HB ALA 6 1.774 -4.953 -24.894 79 HB2 ALA 6 2HB ALA 6 3.056 -5.151 -26.090 80 HB3 ALA 6 3HB ALA 6 1.400 -5.607 -26.489 81 H LEU 7 H LEU 7 1.085 -9.139 -25.228 82 HA LEU 7 HA LEU 7 2.325 -10.355 -27.485 83 HB2 LEU 7 2HB LEU 7 -0.337 -11.132 -26.335 84 HB3 LEU 7 3HB LEU 7 0.839 -12.154 -27.158 85 HG LEU 7 HG LEU 7 1.251 -10.924 -24.434 86 HD11 LEU 7 1HD1 LEU 7 -0.600 -12.663 -24.652 87 HD12 LEU 7 2HD1 LEU 7 0.666 -12.974 -23.464 88 HD13 LEU 7 3HD1 LEU 7 0.687 -13.814 -25.015 89 HD21 LEU 7 3HD2 LEU 7 3.369 -11.528 -24.697 90 HD22 LEU 7 1HD2 LEU 7 3.017 -12.166 -26.303 91 HD23 LEU 7 2HD2 LEU 7 2.850 -13.203 -24.887 92 H TYR 8 H TYR 8 -0.702 -8.616 -26.970 93 HA TYR 8 HA TYR 8 -0.946 -8.310 -29.874 94 HB2 TYR 8 2HB TYR 8 -3.401 -8.825 -28.223 95 HB3 TYR 8 3HB TYR 8 -3.191 -8.967 -29.964 96 HD1 TYR 8 HD1 TYR 8 -1.702 -10.860 -30.829 97 HD2 TYR 8 HD2 TYR 8 -3.181 -10.702 -26.843 98 HE1 TYR 8 HE1 TYR 8 -1.291 -13.273 -30.588 99 HE2 TYR 8 HE2 TYR 8 -2.773 -13.115 -26.590 100 HH TYR 8 HH TYR 8 -0.922 -14.828 -28.025 101 H ASP 9 H ASP 9 -2.030 -6.429 -30.548 102 HA ASP 9 HA ASP 9 -1.758 -4.214 -28.763 103 HB2 ASP 9 2HB ASP 9 -2.297 -2.841 -30.618 104 HB3 ASP 9 3HB ASP 9 -1.375 -4.188 -31.279 105 H PHE 10 H PHE 10 -3.277 -3.107 -27.653 106 HA PHE 10 HA PHE 10 -6.100 -3.755 -28.077 107 HB2 PHE 10 2HB PHE 10 -5.731 -5.208 -26.295 108 HB3 PHE 10 3HB PHE 10 -4.543 -4.146 -25.546 109 HD1 PHE 10 HD1 PHE 10 -8.111 -4.823 -26.003 110 HD2 PHE 10 HD2 PHE 10 -5.219 -2.343 -24.106 111 HE1 PHE 10 HE1 PHE 10 -9.853 -3.944 -24.504 112 HE2 PHE 10 HE2 PHE 10 -6.956 -1.460 -22.604 113 HZ PHE 10 HZ PHE 10 -9.276 -2.261 -22.801 114 H GLU 11 H GLU 11 -7.531 -2.114 -27.567 115 HA GLU 11 HA GLU 11 -6.282 0.468 -26.895 116 HB2 GLU 11 2HB GLU 11 -7.923 -0.285 -29.083 117 HB3 GLU 11 3HB GLU 11 -8.869 0.800 -28.075 118 HG2 GLU 11 2HG GLU 11 -7.512 2.584 -28.468 119 HG3 GLU 11 3HG GLU 11 -6.082 1.583 -28.718 120 HA PRO 12 HA PRO 12 -8.741 0.647 -23.251 121 HB2 PRO 12 2HB PRO 12 -8.808 3.338 -22.898 122 HB3 PRO 12 3HB PRO 12 -7.366 2.365 -22.588 123 HG2 PRO 12 2HG PRO 12 -8.055 4.018 -24.986 124 HG3 PRO 12 3HG PRO 12 -6.509 3.879 -24.130 125 HD2 PRO 12 2HD PRO 12 -7.019 2.562 -26.440 126 HD3 PRO 12 3HD PRO 12 -5.965 1.898 -25.175 127 H GLU 13 H GLU 13 -10.859 0.795 -22.702 128 HA GLU 13 HA GLU 13 -12.679 1.885 -24.729 129 HB2 GLU 13 2HB GLU 13 -12.840 -0.329 -22.760 130 HB3 GLU 13 3HB GLU 13 -14.329 0.548 -23.084 131 HG2 GLU 13 2HG GLU 13 -12.616 -0.643 -25.246 132 HG3 GLU 13 3HG GLU 13 -13.944 -1.506 -24.471 133 H ASN 14 H ASN 14 -11.596 2.310 -21.481 134 HA ASN 14 HA ASN 14 -13.713 4.304 -21.016 135 HB2 ASN 14 2HB ASN 14 -12.170 2.529 -19.154 136 HB3 ASN 14 3HB ASN 14 -12.850 4.042 -18.562 137 HD21 ASN 14 1HD2 ASN 14 -13.403 0.840 -18.844 138 HD22 ASN 14 2HD2 ASN 14 -15.130 0.828 -18.786 139 H ASP 15 H ASP 15 -12.872 6.041 -19.369 140 HA ASP 15 HA ASP 15 -10.646 7.342 -20.676 141 HB2 ASP 15 2HB ASP 15 -11.231 9.281 -19.360 142 HB3 ASP 15 3HB ASP 15 -12.708 8.576 -20.012 143 H ASN 16 H ASN 16 -10.764 5.034 -18.408 144 HA ASN 16 HA ASN 16 -8.366 6.052 -17.033 145 HB2 ASN 16 2HB ASN 16 -9.186 4.352 -15.192 146 HB3 ASN 16 3HB ASN 16 -9.846 5.983 -15.262 147 HD21 ASN 16 1HD2 ASN 16 -10.546 2.703 -15.254 148 HD22 ASN 16 2HD2 ASN 16 -12.221 2.798 -15.667 149 H GLU 17 H GLU 17 -8.794 4.355 -19.480 150 HA GLU 17 HA GLU 17 -7.438 1.904 -18.577 151 HB2 GLU 17 2HB GLU 17 -9.214 2.508 -20.913 152 HB3 GLU 17 3HB GLU 17 -8.061 1.185 -21.015 153 HG2 GLU 17 2HG GLU 17 -9.231 0.669 -18.627 154 HG3 GLU 17 3HG GLU 17 -10.570 1.394 -19.516 155 H LEU 18 H LEU 18 -5.685 1.084 -19.882 156 HA LEU 18 HA LEU 18 -4.154 3.258 -21.142 157 HB2 LEU 18 2HB LEU 18 -3.087 2.315 -19.185 158 HB3 LEU 18 3HB LEU 18 -3.230 0.692 -19.857 159 HG LEU 18 HG LEU 18 -1.633 1.264 -21.609 160 HD11 LEU 18 1HD1 LEU 18 -0.570 3.691 -20.561 161 HD12 LEU 18 2HD1 LEU 18 -2.287 3.915 -20.897 162 HD13 LEU 18 3HD1 LEU 18 -1.203 3.361 -22.174 163 HD21 LEU 18 3HD2 LEU 18 -0.124 2.224 -19.294 164 HD22 LEU 18 1HD2 LEU 18 0.110 0.785 -20.287 165 HD23 LEU 18 2HD2 LEU 18 -1.077 0.773 -18.982 166 H ARG 19 H ARG 19 -2.973 2.839 -23.057 167 HA ARG 19 HA ARG 19 -4.280 0.908 -24.791 168 HB2 ARG 19 2HB ARG 19 -2.061 2.677 -25.723 169 HB3 ARG 19 3HB ARG 19 -3.504 2.150 -26.579 170 HG2 ARG 19 2HG ARG 19 -4.855 3.648 -25.161 171 HG3 ARG 19 3HG ARG 19 -3.370 4.219 -24.397 172 HD2 ARG 19 2HD ARG 19 -2.644 5.295 -26.318 173 HD3 ARG 19 3HD ARG 19 -3.665 4.316 -27.370 174 HE ARG 19 HE ARG 19 -4.421 6.714 -25.944 175 HH11 ARG 19 1HH1 ARG 19 -5.505 3.859 -27.617 176 HH12 ARG 19 2HH1 ARG 19 -7.070 4.507 -27.979 177 HH21 ARG 19 1HH2 ARG 19 -6.479 7.578 -26.415 178 HH22 ARG 19 2HH2 ARG 19 -7.623 6.623 -27.295 179 H LEU 20 H LEU 20 -3.108 -0.584 -26.113 180 HA LEU 20 HA LEU 20 -0.387 -1.221 -25.244 181 HB2 LEU 20 2HB LEU 20 -2.591 -2.622 -24.322 182 HB3 LEU 20 3HB LEU 20 -1.982 -3.613 -25.646 183 HG LEU 20 HG LEU 20 0.137 -3.871 -24.571 184 HD11 LEU 20 1HD1 LEU 20 0.829 -2.016 -23.497 185 HD12 LEU 20 2HD1 LEU 20 0.111 -2.814 -22.097 186 HD13 LEU 20 3HD1 LEU 20 -0.798 -1.581 -22.971 187 HD21 LEU 20 3HD2 LEU 20 -2.349 -4.543 -23.210 188 HD22 LEU 20 1HD2 LEU 20 -0.956 -4.497 -22.129 189 HD23 LEU 20 2HD2 LEU 20 -0.935 -5.542 -23.549 190 H ALA 21 H ALA 21 0.847 -2.368 -26.762 191 HA ALA 21 HA ALA 21 -0.386 -2.918 -29.359 192 HB1 ALA 21 1HB ALA 21 1.477 -0.747 -28.794 193 HB2 ALA 21 2HB ALA 21 1.999 -1.794 -30.114 194 HB3 ALA 21 3HB ALA 21 0.423 -1.006 -30.184 195 H GLU 22 H GLU 22 0.464 -4.647 -30.404 196 HA GLU 22 HA GLU 22 1.890 -6.583 -29.064 197 HB2 GLU 22 2HB GLU 22 0.610 -7.009 -31.116 198 HB3 GLU 22 3HB GLU 22 1.805 -6.121 -32.051 199 HG2 GLU 22 2HG GLU 22 3.225 -8.074 -30.626 200 HG3 GLU 22 3HG GLU 22 1.790 -8.872 -31.266 201 H GLY 23 H GLY 23 3.919 -6.700 -28.381 202 HA2 GLY 23 2HA GLY 23 6.265 -6.713 -28.728 203 HA3 GLY 23 3HA GLY 23 6.053 -5.545 -30.024 204 H ASP 24 H ASP 24 4.138 -4.379 -27.699 205 HA ASP 24 HA ASP 24 6.090 -2.406 -26.895 206 HB2 ASP 24 2HB ASP 24 3.141 -2.701 -26.300 207 HB3 ASP 24 3HB ASP 24 4.129 -1.359 -25.729 208 H ILE 25 H ILE 25 6.747 -1.956 -24.790 209 HA ILE 25 HA ILE 25 6.519 -4.229 -22.949 210 HB ILE 25 HB ILE 25 8.492 -1.941 -22.936 211 HG12 ILE 25 2HG1 ILE 25 8.520 -3.870 -24.752 212 HG13 ILE 25 3HG1 ILE 25 10.010 -3.296 -24.013 213 HG21 ILE 25 1HG2 ILE 25 8.227 -2.663 -20.703 214 HG22 ILE 25 2HG2 ILE 25 8.191 -4.360 -21.177 215 HG23 ILE 25 3HG2 ILE 25 9.693 -3.444 -21.295 216 HD11 ILE 25 3HD1 ILE 25 10.125 -5.171 -22.580 217 HD12 ILE 25 1HD1 ILE 25 8.483 -5.668 -22.988 218 HD13 ILE 25 2HD1 ILE 25 9.765 -5.782 -24.194 219 H VAL 26 H VAL 26 5.788 -4.009 -20.875 220 HA VAL 26 HA VAL 26 5.038 -1.353 -19.910 221 HB VAL 26 HB VAL 26 2.822 -2.451 -19.112 222 HG11 VAL 26 1HG1 VAL 26 3.377 -1.539 -21.924 223 HG12 VAL 26 2HG1 VAL 26 1.746 -1.835 -21.320 224 HG13 VAL 26 3HG1 VAL 26 2.752 -0.594 -20.572 225 HG21 VAL 26 3HG2 VAL 26 1.928 -4.131 -20.648 226 HG22 VAL 26 1HG2 VAL 26 3.473 -4.179 -21.497 227 HG23 VAL 26 2HG2 VAL 26 3.370 -4.723 -19.823 228 H PHE 27 H PHE 27 4.529 -1.316 -17.616 229 HA PHE 27 HA PHE 27 5.810 -3.540 -16.168 230 HB2 PHE 27 2HB PHE 27 5.762 -0.588 -15.519 231 HB3 PHE 27 3HB PHE 27 6.369 -1.826 -14.424 232 HD1 PHE 27 HD2 PHE 27 8.000 -3.554 -15.893 233 HD2 PHE 27 HD1 PHE 27 7.443 0.626 -16.475 234 HE1 PHE 27 HE2 PHE 27 10.212 -3.412 -16.960 235 HE2 PHE 27 HE1 PHE 27 9.655 0.775 -17.543 236 HZ PHE 27 HZ PHE 27 11.043 -1.245 -17.786 237 H ILE 28 H ILE 28 4.236 -4.754 -15.327 238 HA ILE 28 HA ILE 28 1.684 -3.727 -14.574 239 HB ILE 28 HB ILE 28 2.800 -6.376 -13.685 240 HG12 ILE 28 2HG1 ILE 28 3.259 -6.222 -16.061 241 HG13 ILE 28 3HG1 ILE 28 1.899 -7.310 -15.806 242 HG21 ILE 28 1HG2 ILE 28 0.388 -7.030 -14.005 243 HG22 ILE 28 2HG2 ILE 28 0.702 -5.891 -12.697 244 HG23 ILE 28 3HG2 ILE 28 0.037 -5.317 -14.225 245 HD11 ILE 28 3HD1 ILE 28 0.565 -5.027 -16.190 246 HD12 ILE 28 1HD1 ILE 28 2.008 -4.689 -17.146 247 HD13 ILE 28 2HD1 ILE 28 1.029 -6.113 -17.500 248 H SER 29 H SER 29 1.624 -2.308 -12.929 249 HA SER 29 HA SER 29 3.340 -2.335 -10.691 250 HB2 SER 29 2HB SER 29 0.795 -0.924 -11.388 251 HB3 SER 29 3HB SER 29 1.368 -0.869 -9.721 252 HG SER 29 HG SER 29 2.269 0.857 -10.771 253 H TYR 30 H TYR 30 0.110 -3.650 -11.230 254 HA TYR 30 HA TYR 30 0.414 -5.674 -9.294 255 HB2 TYR 30 2HB TYR 30 -1.049 -4.956 -7.547 256 HB3 TYR 30 3HB TYR 30 0.121 -3.666 -7.796 257 HD1 TYR 30 HD2 TYR 30 -3.383 -4.678 -8.280 258 HD2 TYR 30 HD1 TYR 30 -0.561 -1.511 -8.609 259 HE1 TYR 30 HE2 TYR 30 -5.224 -3.077 -8.588 260 HE2 TYR 30 HE1 TYR 30 -2.394 0.099 -8.917 261 HH TYR 30 HH TYR 30 -4.782 0.288 -8.412 262 H LYS 31 H LYS 31 -1.282 -7.164 -9.327 263 HA LYS 31 HA LYS 31 -2.972 -6.989 -11.663 264 HB2 LYS 31 2HB LYS 31 -2.003 -9.115 -11.328 265 HB3 LYS 31 3HB LYS 31 -2.433 -9.135 -9.623 266 HG2 LYS 31 2HG LYS 31 -4.713 -9.528 -10.104 267 HG3 LYS 31 3HG LYS 31 -4.484 -9.173 -11.818 268 HD2 LYS 31 2HD LYS 31 -3.264 -11.171 -12.164 269 HD3 LYS 31 3HD LYS 31 -3.085 -11.448 -10.430 270 HE2 LYS 31 2HE LYS 31 -5.803 -11.331 -10.727 271 HE3 LYS 31 3HE LYS 31 -5.298 -12.107 -12.227 272 HZ1 LYS 31 3HZ LYS 31 -5.612 -13.848 -10.735 273 HZ2 LYS 31 1HZ LYS 31 -4.874 -13.028 -9.452 274 HZ3 LYS 31 2HZ LYS 31 -3.936 -13.621 -10.728 275 H HIS 32 H HIS 32 -5.216 -7.005 -11.699 276 HA HIS 32 HA HIS 32 -6.597 -6.620 -9.137 277 HB2 HIS 32 2HB HIS 32 -6.041 -4.425 -10.376 278 HB3 HIS 32 3HB HIS 32 -7.272 -4.926 -11.532 279 HD1 HIS 32 HD1 HIS 32 -7.170 -4.786 -7.721 280 HD2 HIS 32 HD2 HIS 32 -9.576 -3.676 -10.921 281 HE1 HIS 32 HE1 HIS 32 -9.197 -3.707 -6.696 282 H GLY 33 H GLY 33 -8.856 -7.102 -9.176 283 HA2 GLY 33 2HA GLY 33 -9.532 -9.390 -10.632 284 HA3 GLY 33 3HA GLY 33 -10.674 -8.372 -9.766 285 H GLN 34 H GLN 34 -11.918 -9.273 -11.734 286 HA GLN 34 HA GLN 34 -13.087 -8.771 -13.621 287 HB2 GLN 34 2HB GLN 34 -11.682 -6.100 -13.582 288 HB3 GLN 34 3HB GLN 34 -13.205 -6.492 -14.367 289 HG2 GLN 34 2HG GLN 34 -13.601 -7.159 -11.701 290 HG3 GLN 34 3HG GLN 34 -12.688 -5.651 -11.659 291 HE21 GLN 34 1HE2 GLN 34 -15.306 -5.868 -10.753 292 HE22 GLN 34 2HE2 GLN 34 -16.331 -4.932 -11.781 293 H GLY 35 H GLY 35 -10.045 -9.526 -13.542 294 HA2 GLY 35 2HA GLY 35 -8.562 -10.267 -15.136 295 HA3 GLY 35 3HA GLY 35 -9.811 -9.970 -16.337 296 H TRP 36 H TRP 36 -8.652 -7.449 -14.222 297 HA TRP 36 HA TRP 36 -7.215 -6.254 -16.501 298 HB2 TRP 36 2HB TRP 36 -9.026 -4.909 -14.491 299 HB3 TRP 36 3HB TRP 36 -7.941 -4.025 -15.561 300 HD1 TRP 36 HD1 TRP 36 -11.346 -5.544 -15.436 301 HE1 TRP 36 HE1 TRP 36 -12.483 -5.346 -17.737 302 HE3 TRP 36 HE3 TRP 36 -7.301 -4.127 -18.224 303 HZ2 TRP 36 HZ2 TRP 36 -11.762 -4.679 -20.383 304 HZ3 TRP 36 HZ3 TRP 36 -7.609 -3.730 -20.633 305 HH2 TRP 36 HH2 TRP 36 -9.794 -4.001 -21.688 306 H LEU 37 H LEU 37 -5.227 -5.437 -16.109 307 HA LEU 37 HA LEU 37 -4.311 -5.376 -13.310 308 HB2 LEU 37 2HB LEU 37 -2.309 -5.905 -15.408 309 HB3 LEU 37 3HB LEU 37 -2.442 -6.557 -13.776 310 HG LEU 37 HG LEU 37 -4.032 -7.468 -16.175 311 HD11 LEU 37 1HD1 LEU 37 -2.363 -9.450 -14.940 312 HD12 LEU 37 2HD1 LEU 37 -1.399 -8.059 -15.433 313 HD13 LEU 37 3HD1 LEU 37 -2.399 -8.901 -16.616 314 HD21 LEU 37 3HD2 LEU 37 -4.198 -9.379 -14.193 315 HD22 LEU 37 1HD2 LEU 37 -5.461 -8.234 -14.645 316 HD23 LEU 37 2HD2 LEU 37 -4.366 -7.859 -13.314 317 H VAL 38 H VAL 38 -3.324 -3.561 -12.658 318 HA VAL 38 HA VAL 38 -3.213 -1.313 -14.446 319 HB VAL 38 HB VAL 38 -2.249 -1.505 -11.589 320 HG11 VAL 38 1HG1 VAL 38 -2.615 0.755 -13.509 321 HG12 VAL 38 2HG1 VAL 38 -2.821 1.028 -11.777 322 HG13 VAL 38 3HG1 VAL 38 -1.283 0.429 -12.400 323 HG21 VAL 38 3HG2 VAL 38 -4.941 -0.952 -12.777 324 HG22 VAL 38 1HG2 VAL 38 -4.510 -1.997 -11.424 325 HG23 VAL 38 2HG2 VAL 38 -4.484 -0.245 -11.227 326 H ALA 39 H ALA 39 -1.573 -0.915 -15.763 327 HA ALA 39 HA ALA 39 1.161 -1.421 -14.823 328 HB1 ALA 39 1HB ALA 39 -0.009 -3.103 -16.601 329 HB2 ALA 39 2HB ALA 39 0.753 -1.937 -17.683 330 HB3 ALA 39 3HB ALA 39 1.727 -2.807 -16.497 331 H GLU 40 H GLU 40 2.798 -0.307 -16.236 332 HA GLU 40 HA GLU 40 1.704 2.175 -17.380 333 HB2 GLU 40 2HB GLU 40 3.382 3.487 -16.342 334 HB3 GLU 40 3HB GLU 40 2.723 2.457 -15.079 335 HG2 GLU 40 2HG GLU 40 4.869 1.044 -16.209 336 HG3 GLU 40 3HG GLU 40 5.419 2.704 -15.993 337 H ASN 41 H ASN 41 2.990 3.174 -19.016 338 HA ASN 41 HA ASN 41 4.140 1.336 -20.830 339 HB2 ASN 41 2HB ASN 41 4.342 3.128 -22.304 340 HB3 ASN 41 3HB ASN 41 3.012 3.642 -21.270 341 HD21 ASN 41 1HD2 ASN 41 4.377 4.452 -19.027 342 HD22 ASN 41 2HD2 ASN 41 5.336 5.837 -19.410 343 H GLU 42 H GLU 42 6.367 2.307 -21.901 344 HA GLU 42 HA GLU 42 8.385 1.520 -20.063 345 HB2 GLU 42 2HB GLU 42 8.224 1.543 -22.758 346 HB3 GLU 42 3HB GLU 42 9.188 2.991 -22.504 347 HG2 GLU 42 2HG GLU 42 10.563 1.378 -20.936 348 HG3 GLU 42 3HG GLU 42 9.854 0.148 -21.979 349 H SER 43 H SER 43 7.293 4.625 -21.316 350 HA SER 43 HA SER 43 9.363 6.248 -20.402 351 HB2 SER 43 2HB SER 43 6.445 7.037 -20.457 352 HB3 SER 43 3HB SER 43 7.846 8.094 -20.629 353 HG SER 43 HG SER 43 8.297 7.092 -22.605 354 H GLY 44 H GLY 44 6.893 4.603 -18.654 355 HA2 GLY 44 2HA GLY 44 6.542 4.380 -16.393 356 HA3 GLY 44 3HA GLY 44 8.067 5.218 -16.146 357 H SER 45 H SER 45 5.949 7.000 -18.071 358 HA SER 45 HA SER 45 5.268 8.698 -15.769 359 HB2 SER 45 2HB SER 45 6.648 9.528 -17.841 360 HB3 SER 45 3HB SER 45 5.065 9.634 -18.611 361 HG SER 45 HG SER 45 4.863 11.456 -17.604 362 H LYS 46 H LYS 46 3.956 6.743 -18.270 363 HA LYS 46 HA LYS 46 1.247 7.727 -17.654 364 HB2 LYS 46 2HB LYS 46 1.156 7.982 -19.892 365 HB3 LYS 46 3HB LYS 46 2.552 6.946 -20.160 366 HG2 LYS 46 2HG LYS 46 1.238 4.997 -20.165 367 HG3 LYS 46 3HG LYS 46 -0.154 5.839 -19.479 368 HD2 LYS 46 2HD LYS 46 0.944 6.750 -22.099 369 HD3 LYS 46 3HD LYS 46 -0.042 5.286 -22.046 370 HE2 LYS 46 2HE LYS 46 -1.828 6.564 -20.928 371 HE3 LYS 46 3HE LYS 46 -0.844 8.022 -21.058 372 HZ1 LYS 46 3HZ LYS 46 -2.532 6.828 -22.998 373 HZ2 LYS 46 1HZ LYS 46 -0.956 6.961 -23.599 374 HZ3 LYS 46 2HZ LYS 46 -1.764 8.335 -23.034 375 H THR 47 H THR 47 -0.023 6.409 -16.538 376 HA THR 47 HA THR 47 0.418 3.508 -16.721 377 HB THR 47 HB THR 47 -0.186 4.911 -14.116 378 HG1 THR 47 HG1 THR 47 1.988 5.302 -15.069 379 HG21 THR 47 3HG2 THR 47 0.330 2.775 -13.109 380 HG22 THR 47 1HG2 THR 47 0.759 2.098 -14.679 381 HG23 THR 47 2HG2 THR 47 -0.913 2.548 -14.339 382 H GLY 48 H GLY 48 -1.411 2.230 -16.557 383 HA2 GLY 48 2HA GLY 48 -3.961 3.324 -15.805 384 HA3 GLY 48 3HA GLY 48 -3.800 3.113 -17.542 385 H LEU 49 H LEU 49 -5.475 1.567 -17.541 386 HA LEU 49 HA LEU 49 -4.872 -0.967 -16.186 387 HB2 LEU 49 2HB LEU 49 -7.432 -0.042 -17.480 388 HB3 LEU 49 3HB LEU 49 -7.203 -1.552 -16.600 389 HG LEU 49 HG LEU 49 -6.749 1.070 -15.230 390 HD11 LEU 49 1HD1 LEU 49 -9.098 1.048 -14.516 391 HD12 LEU 49 2HD1 LEU 49 -9.414 -0.281 -15.632 392 HD13 LEU 49 3HD1 LEU 49 -8.933 1.297 -16.254 393 HD21 LEU 49 3HD2 LEU 49 -7.945 -1.410 -14.066 394 HD22 LEU 49 1HD2 LEU 49 -7.009 -0.139 -13.280 395 HD23 LEU 49 2HD2 LEU 49 -6.203 -1.307 -14.328 396 H VAL 50 H VAL 50 -4.416 -2.778 -17.299 397 HA VAL 50 HA VAL 50 -4.802 -2.772 -20.213 398 HB VAL 50 HB VAL 50 -2.620 -3.761 -20.581 399 HG11 VAL 50 1HG1 VAL 50 -2.099 -1.361 -18.864 400 HG12 VAL 50 2HG1 VAL 50 -1.336 -1.827 -20.385 401 HG13 VAL 50 3HG1 VAL 50 -2.992 -1.221 -20.377 402 HG21 VAL 50 3HG2 VAL 50 -2.486 -4.906 -18.370 403 HG22 VAL 50 1HG2 VAL 50 -1.002 -4.078 -18.841 404 HG23 VAL 50 2HG2 VAL 50 -2.074 -3.352 -17.644 405 HA PRO 51 HA PRO 51 -6.396 -6.832 -19.701 406 HB2 PRO 51 2HB PRO 51 -5.685 -7.972 -22.060 407 HB3 PRO 51 3HB PRO 51 -6.963 -6.758 -21.926 408 HG2 PRO 51 2HG PRO 51 -4.112 -6.422 -22.776 409 HG3 PRO 51 3HG PRO 51 -5.580 -5.722 -23.482 410 HD2 PRO 51 2HD PRO 51 -3.950 -4.326 -21.831 411 HD3 PRO 51 3HD PRO 51 -5.704 -4.058 -21.892 412 H GLU 52 H GLU 52 -5.812 -8.864 -19.029 413 HA GLU 52 HA GLU 52 -2.962 -9.293 -18.595 414 HB2 GLU 52 2HB GLU 52 -4.496 -9.547 -16.694 415 HB3 GLU 52 3HB GLU 52 -5.360 -10.813 -17.555 416 HG2 GLU 52 2HG GLU 52 -3.636 -12.337 -17.315 417 HG3 GLU 52 3HG GLU 52 -2.434 -11.082 -17.018 418 H GLU 53 H GLU 53 -5.627 -10.586 -20.427 419 HA GLU 53 HA GLU 53 -4.183 -12.976 -21.198 420 HB2 GLU 53 2HB GLU 53 -6.897 -12.160 -21.178 421 HB3 GLU 53 3HB GLU 53 -6.471 -12.489 -22.851 422 HG2 GLU 53 2HG GLU 53 -7.331 -14.493 -21.931 423 HG3 GLU 53 3HG GLU 53 -5.590 -14.703 -22.111 424 H PHE 54 H PHE 54 -3.602 -9.964 -21.948 425 HA PHE 54 HA PHE 54 -3.098 -10.519 -24.797 426 HB2 PHE 54 2HB PHE 54 -4.301 -8.204 -23.476 427 HB3 PHE 54 3HB PHE 54 -2.979 -7.770 -24.554 428 HD1 PHE 54 HD1 PHE 54 -5.305 -10.608 -24.989 429 HD2 PHE 54 HD2 PHE 54 -4.174 -6.712 -26.277 430 HE1 PHE 54 HE1 PHE 54 -6.818 -10.811 -26.919 431 HE2 PHE 54 HE2 PHE 54 -5.686 -6.908 -28.209 432 HZ PHE 54 HZ PHE 54 -7.011 -8.959 -28.531 433 H VAL 55 H VAL 55 -1.710 -10.065 -21.805 434 HA VAL 55 HA VAL 55 0.850 -9.245 -23.019 435 HB VAL 55 HB VAL 55 1.477 -8.395 -20.742 436 HG11 VAL 55 1HG1 VAL 55 -0.876 -6.780 -21.445 437 HG12 VAL 55 2HG1 VAL 55 0.826 -6.326 -21.343 438 HG13 VAL 55 3HG1 VAL 55 0.214 -7.139 -22.784 439 HG21 VAL 55 3HG2 VAL 55 -1.446 -8.905 -20.231 440 HG22 VAL 55 1HG2 VAL 55 -0.062 -9.533 -19.335 441 HG23 VAL 55 2HG2 VAL 55 -0.466 -7.818 -19.248 442 H SER 56 H SER 56 2.778 -10.089 -21.915 443 HA SER 56 HA SER 56 2.299 -12.645 -20.541 444 HB2 SER 56 2HB SER 56 2.807 -13.282 -22.790 445 HB3 SER 56 3HB SER 56 4.146 -12.138 -22.879 446 HG SER 56 HG SER 56 5.388 -13.481 -21.790 447 H TYR 57 H TYR 57 3.176 -12.516 -18.593 448 HA TYR 57 HA TYR 57 4.941 -10.572 -17.703 449 HB2 TYR 57 2HB TYR 57 4.065 -13.228 -16.678 450 HB3 TYR 57 3HB TYR 57 5.469 -12.483 -15.921 451 HD1 TYR 57 HD2 TYR 57 2.416 -10.833 -17.264 452 HD2 TYR 57 HD1 TYR 57 4.684 -11.851 -13.811 453 HE1 TYR 57 HE2 TYR 57 0.928 -9.443 -15.885 454 HE2 TYR 57 HE1 TYR 57 3.201 -10.466 -12.422 455 HH TYR 57 HH TYR 57 0.740 -9.639 -12.614 456 H ILE 58 H ILE 58 7.054 -10.250 -17.920 457 HA ILE 58 HA ILE 58 8.655 -12.303 -19.244 458 HB ILE 58 HB ILE 58 9.449 -9.462 -18.610 459 HG12 ILE 58 2HG1 ILE 58 8.338 -10.568 -21.198 460 HG13 ILE 58 3HG1 ILE 58 7.427 -9.581 -20.059 461 HG21 ILE 58 1HG2 ILE 58 11.293 -11.032 -19.038 462 HG22 ILE 58 2HG2 ILE 58 10.571 -11.434 -20.595 463 HG23 ILE 58 3HG2 ILE 58 11.160 -9.800 -20.292 464 HD11 ILE 58 3HD1 ILE 58 8.076 -7.997 -21.558 465 HD12 ILE 58 1HD1 ILE 58 9.422 -7.913 -20.422 466 HD13 ILE 58 2HD1 ILE 58 9.596 -8.810 -21.931 467 H GLN 59 H GLN 59 10.518 -13.170 -18.393 468 HA GLN 59 HA GLN 59 11.190 -12.444 -15.625 469 HB2 GLN 59 2HB GLN 59 10.328 -15.052 -16.690 470 HB3 GLN 59 3HB GLN 59 11.758 -15.107 -15.667 471 HG2 GLN 59 2HG GLN 59 10.547 -14.866 -13.831 472 HG3 GLN 59 3HG GLN 59 9.716 -13.456 -14.487 473 HE21 GLN 59 1HE2 GLN 59 9.758 -16.810 -15.603 474 HE22 GLN 59 2HE2 GLN 59 8.056 -17.067 -15.454 475 HA PRO 60 HA PRO 60 15.401 -12.425 -16.846 476 HB2 PRO 60 2HB PRO 60 16.650 -13.503 -14.690 477 HB3 PRO 60 3HB PRO 60 15.934 -11.887 -14.677 478 HG2 PRO 60 2HG PRO 60 14.821 -14.460 -13.627 479 HG3 PRO 60 3HG PRO 60 14.798 -12.848 -12.890 480 HD2 PRO 60 2HD PRO 60 12.657 -13.890 -14.178 481 HD3 PRO 60 3HD PRO 60 13.011 -12.151 -14.167 482 H GLU 61 H GLU 61 14.592 -15.512 -15.247 483 HA GLU 61 HA GLU 61 15.497 -17.011 -17.532 484 HB2 GLU 61 2HB GLU 61 17.119 -16.849 -15.025 485 HB3 GLU 61 3HB GLU 61 17.056 -18.371 -15.903 486 HG2 GLU 61 2HG GLU 61 18.740 -17.595 -17.115 487 HG3 GLU 61 3HG GLU 61 17.568 -16.522 -17.877 488 H LEU 62 H LEU 62 13.101 -16.640 -15.830 489 HA LEU 62 HA LEU 62 12.766 -19.404 -14.870 490 HB2 LEU 62 2HB LEU 62 11.008 -17.084 -14.134 491 HB3 LEU 62 3HB LEU 62 11.150 -18.648 -13.333 492 HG LEU 62 HG LEU 62 13.203 -16.435 -13.315 493 HD11 LEU 62 1HD1 LEU 62 10.894 -16.753 -11.797 494 HD12 LEU 62 2HD1 LEU 62 12.267 -15.706 -11.439 495 HD13 LEU 62 3HD1 LEU 62 12.200 -17.334 -10.764 496 HD21 LEU 62 3HD2 LEU 62 13.355 -19.285 -12.656 497 HD22 LEU 62 1HD2 LEU 62 13.923 -18.210 -11.378 498 HD23 LEU 62 2HD2 LEU 62 14.641 -18.123 -12.987 499 H GLU 63 H GLU 63 11.109 -20.639 -15.628 500 HA GLU 63 HA GLU 63 10.057 -20.135 -18.159 501 HB2 GLU 63 2HB GLU 63 8.761 -22.105 -17.883 502 HB3 GLU 63 3HB GLU 63 10.257 -22.371 -16.999 503 HG2 GLU 63 2HG GLU 63 7.657 -21.509 -15.753 504 HG3 GLU 63 3HG GLU 63 8.254 -23.167 -15.804 505 H1 GLY -9 H GLY -9 -8.188 2.717 -5.112 506 HA2 GLY -9 2HA GLY -9 -6.093 3.736 -6.004 507 HA3 GLY -9 3HA GLY -9 -6.172 2.516 -7.266 508 H LYS -8 H LYS -8 -5.964 4.743 -8.410 509 HA LYS -8 HA LYS -8 -8.335 6.319 -8.628 510 HB2 LYS -8 2HB LYS -8 -5.794 6.177 -10.243 511 HB3 LYS -8 3HB LYS -8 -7.114 7.260 -10.665 512 HG2 LYS -8 2HG LYS -8 -6.909 8.129 -8.262 513 HG3 LYS -8 3HG LYS -8 -5.346 7.308 -8.249 514 HD2 LYS -8 2HD LYS -8 -4.680 9.362 -8.988 515 HD3 LYS -8 3HD LYS -8 -5.061 8.612 -10.540 516 HE2 LYS -8 2HE LYS -8 -7.223 10.043 -9.077 517 HE3 LYS -8 3HE LYS -8 -5.987 10.997 -9.895 518 HZ1 LYS -8 3HZ LYS -8 -6.663 9.162 -11.759 519 HZ2 LYS -8 1HZ LYS -8 -7.272 10.738 -11.683 520 HZ3 LYS -8 2HZ LYS -8 -8.148 9.460 -11.007 521 H PHE -7 H PHE -7 -6.762 3.948 -10.765 522 HA PHE -7 HA PHE -7 -8.778 4.019 -12.753 523 HB2 PHE -7 2HB PHE -7 -6.959 1.675 -12.218 524 HB3 PHE -7 3HB PHE -7 -7.656 2.182 -13.753 525 HD1 PHE -7 HD2 PHE -7 -7.063 5.021 -13.845 526 HD2 PHE -7 HD1 PHE -7 -4.670 1.787 -12.454 527 HE1 PHE -7 HE2 PHE -7 -5.031 6.317 -14.340 528 HE2 PHE -7 HE1 PHE -7 -2.634 3.078 -12.946 529 HZ PHE -7 HZ PHE -7 -2.813 5.346 -13.891 530 H ILE -6 H ILE -6 -10.519 2.686 -13.132 531 HA ILE -6 HA ILE -6 -11.123 0.516 -11.309 532 HB ILE -6 HB ILE -6 -13.436 1.472 -10.866 533 HG12 ILE -6 2HG1 ILE -6 -12.307 4.200 -11.104 534 HG13 ILE -6 3HG1 ILE -6 -12.730 3.408 -12.618 535 HG21 ILE -6 1HG2 ILE -6 -11.432 1.354 -9.273 536 HG22 ILE -6 2HG2 ILE -6 -11.272 3.086 -9.561 537 HG23 ILE -6 3HG2 ILE -6 -12.754 2.443 -8.854 538 HD11 ILE -6 3HD1 ILE -6 -14.703 4.421 -12.171 539 HD12 ILE -6 1HD1 ILE -6 -14.969 2.915 -11.292 540 HD13 ILE -6 2HD1 ILE -6 -14.466 4.366 -10.425 541 HA PRO -5 HA PRO -5 -12.524 -0.330 -15.588 542 HB2 PRO -5 2HB PRO -5 -11.951 -2.981 -15.467 543 HB3 PRO -5 3HB PRO -5 -10.742 -1.754 -15.864 544 HG2 PRO -5 2HG PRO -5 -11.264 -3.124 -13.254 545 HG3 PRO -5 3HG PRO -5 -9.715 -2.759 -14.036 546 HD2 PRO -5 2HD PRO -5 -10.723 -1.252 -12.024 547 HD3 PRO -5 3HD PRO -5 -9.731 -0.566 -13.327 548 H SER -4 H SER -4 -14.550 -0.884 -16.128 549 HA SER -4 HA SER -4 -16.057 -2.668 -14.346 550 HB2 SER -4 2HB SER -4 -16.741 0.120 -15.169 551 HB3 SER -4 3HB SER -4 -18.052 -1.048 -15.008 552 HG SER -4 HG SER -4 -16.487 0.133 -13.073 553 H ARG -3 H ARG -3 -15.112 -3.902 -16.367 554 HA ARG -3 HA ARG -3 -17.314 -4.666 -17.945 555 HB2 ARG -3 2HB ARG -3 -16.741 -3.864 -20.107 556 HB3 ARG -3 3HB ARG -3 -16.707 -2.470 -19.036 557 HG2 ARG -3 2HG ARG -3 -14.291 -2.566 -18.935 558 HG3 ARG -3 3HG ARG -3 -14.288 -4.024 -19.929 559 HD2 ARG -3 2HD ARG -3 -15.723 -2.358 -21.498 560 HD3 ARG -3 3HD ARG -3 -14.663 -1.203 -20.692 561 HE ARG -3 HE ARG -3 -12.882 -2.062 -21.860 562 HH11 ARG -3 1HH1 ARG -3 -15.623 -4.184 -22.184 563 HH12 ARG -3 2HH1 ARG -3 -14.887 -5.160 -23.411 564 HH21 ARG -3 1HH2 ARG -3 -11.902 -3.340 -23.475 565 HH22 ARG -3 2HH2 ARG -3 -12.770 -4.680 -24.144 566 HA PRO -2 HA PRO -2 -14.804 -8.241 -18.381 567 HB2 PRO -2 2HB PRO -2 -15.842 -9.331 -20.641 568 HB3 PRO -2 3HB PRO -2 -16.697 -9.332 -19.094 569 HG2 PRO -2 2HG PRO -2 -17.027 -7.502 -21.439 570 HG3 PRO -2 3HG PRO -2 -18.271 -8.258 -20.426 571 HD2 PRO -2 2HD PRO -2 -17.500 -5.682 -20.107 572 HD3 PRO -2 3HD PRO -2 -18.035 -6.693 -18.750 573 H ALA -1 H ALA -1 -12.772 -8.459 -19.056 574 HA ALA -1 HA ALA -1 -11.601 -6.824 -21.021 575 HB1 ALA -1 1HB ALA -1 -10.581 -8.221 -19.020 576 HB2 ALA -1 2HB ALA -1 -10.299 -9.395 -20.305 577 HB3 ALA -1 3HB ALA -1 -9.616 -7.774 -20.427 578 HA PRO 0 HA PRO 0 -12.314 -8.903 -24.822 579 HB2 PRO 0 2HB PRO 0 -9.990 -8.418 -26.139 580 HB3 PRO 0 3HB PRO 0 -11.205 -7.169 -25.843 581 HG2 PRO 0 2HG PRO 0 -8.672 -7.738 -24.353 582 HG3 PRO 0 3HG PRO 0 -9.353 -6.177 -24.847 583 HD2 PRO 0 2HD PRO 0 -9.585 -7.136 -22.325 584 HD3 PRO 0 3HD PRO 0 -10.831 -6.121 -23.079 585 H LYS 1 H LYS 1 -10.764 -10.262 -26.498 586 HA LYS 1 HA LYS 1 -9.315 -12.294 -24.963 587 HB2 LYS 1 2HB LYS 1 -10.568 -14.088 -25.723 588 HB3 LYS 1 3HB LYS 1 -11.810 -12.872 -25.454 589 HG2 LYS 1 2HG LYS 1 -10.554 -13.522 -28.114 590 HG3 LYS 1 3HG LYS 1 -12.132 -14.084 -27.556 591 HD2 LYS 1 2HD LYS 1 -11.304 -11.218 -28.016 592 HD3 LYS 1 3HD LYS 1 -12.398 -12.170 -29.022 593 HE2 LYS 1 2HE LYS 1 -13.672 -12.452 -26.716 594 HE3 LYS 1 3HE LYS 1 -12.844 -10.938 -26.353 595 HZ1 LYS 1 3HZ LYS 1 -13.940 -9.840 -28.059 596 HZ2 LYS 1 1HZ LYS 1 -15.150 -10.834 -27.419 597 HZ3 LYS 1 2HZ LYS 1 -14.372 -11.268 -28.857 598 HA PRO 2 HA PRO 2 -6.439 -12.189 -28.279 599 HB2 PRO 2 2HB PRO 2 -5.503 -14.737 -28.243 600 HB3 PRO 2 3HB PRO 2 -5.097 -13.547 -27.000 601 HG2 PRO 2 2HG PRO 2 -7.145 -15.730 -26.937 602 HG3 PRO 2 3HG PRO 2 -6.008 -15.226 -25.673 603 HD2 PRO 2 2HD PRO 2 -8.612 -14.484 -25.670 604 HD3 PRO 2 3HD PRO 2 -7.323 -13.449 -25.023 605 HA PRO 3 HA PRO 3 -8.204 -13.688 -32.018 606 HB2 PRO 3 2HB PRO 3 -5.998 -14.137 -33.535 607 HB3 PRO 3 3HB PRO 3 -6.574 -12.515 -33.134 608 HG2 PRO 3 2HG PRO 3 -4.378 -14.111 -31.873 609 HG3 PRO 3 3HG PRO 3 -4.405 -12.391 -32.306 610 HD2 PRO 3 2HD PRO 3 -4.801 -13.263 -29.773 611 HD3 PRO 3 3HD PRO 3 -5.586 -11.805 -30.415 612 H SER 4 H SER 4 -5.561 -15.631 -30.689 613 HA SER 4 HA SER 4 -5.230 -17.878 -30.556 614 HB2 SER 4 2HB SER 4 -8.096 -18.303 -31.378 615 HB3 SER 4 3HB SER 4 -7.102 -19.286 -30.304 616 HG SER 4 HG SER 4 -7.909 -18.145 -28.749 617 H SER 5 H SER 5 -4.495 -16.672 -32.922 618 HA SER 5 HA SER 5 -5.424 -18.391 -35.089 619 HB2 SER 5 2HB SER 5 -3.693 -16.880 -36.370 620 HB3 SER 5 3HB SER 5 -5.263 -16.227 -35.905 621 HG SER 5 HG SER 5 -3.642 -14.789 -35.301 622 H ALA 6 H ALA 6 -2.437 -17.588 -33.363 623 HA ALA 6 HA ALA 6 -0.753 -19.323 -34.830 624 HB1 ALA 6 1HB ALA 6 0.777 -19.079 -32.854 625 HB2 ALA 6 2HB ALA 6 0.249 -17.563 -33.585 626 HB3 ALA 6 3HB ALA 6 -0.487 -18.120 -32.083 Start of MODEL 4 1 H1 MET -4 H MET -4 5.059 -6.415 0.797 2 HA MET -4 HA MET -4 4.084 -4.145 -0.369 3 HB2 MET -4 2HB MET -4 6.345 -5.494 -0.680 4 HB3 MET -4 3HB MET -4 5.536 -6.061 -2.134 5 HG2 MET -4 2HG MET -4 5.566 -4.005 -3.126 6 HG3 MET -4 3HG MET -4 5.586 -3.143 -1.589 7 HE1 MET -4 3HE MET -4 7.442 -1.449 -2.072 8 HE2 MET -4 1HE MET -4 7.642 -2.210 -0.494 9 HE3 MET -4 2HE MET -4 9.048 -1.930 -1.521 10 H ALA -3 H ALA -3 2.012 -3.991 -1.031 11 HA ALA -3 HA ALA -3 0.626 -6.054 -2.415 12 HB1 ALA -3 1HB ALA -3 -0.294 -4.080 -0.994 13 HB2 ALA -3 2HB ALA -3 -0.238 -3.196 -2.519 14 HB3 ALA -3 3HB ALA -3 -1.213 -4.659 -2.384 15 H ILE -2 H ILE -2 2.503 -3.275 -3.411 16 HA ILE -2 HA ILE -2 1.699 -3.545 -6.189 17 HB ILE -2 HB ILE -2 3.701 -1.700 -4.881 18 HG12 ILE -2 2HG1 ILE -2 1.077 -0.927 -6.133 19 HG13 ILE -2 3HG1 ILE -2 1.155 -1.465 -4.459 20 HG21 ILE -2 1HG2 ILE -2 3.671 -0.490 -7.038 21 HG22 ILE -2 2HG2 ILE -2 4.362 -2.106 -7.163 22 HG23 ILE -2 3HG2 ILE -2 2.720 -1.804 -7.730 23 HD11 ILE -2 3HD1 ILE -2 3.026 0.369 -4.302 24 HD12 ILE -2 1HD1 ILE -2 2.182 1.026 -5.704 25 HD13 ILE -2 2HD1 ILE -2 1.318 0.789 -4.185 26 H VAL -1 H VAL -1 2.792 -4.606 -7.722 27 HA VAL -1 HA VAL -1 5.417 -5.737 -7.001 28 HB VAL -1 HB VAL -1 3.671 -7.436 -7.337 29 HG11 VAL -1 1HG1 VAL -1 3.545 -6.958 -10.249 30 HG12 VAL -1 2HG1 VAL -1 2.312 -7.564 -9.141 31 HG13 VAL -1 3HG1 VAL -1 2.647 -5.835 -9.229 32 HG21 VAL -1 3HG2 VAL -1 4.939 -8.882 -8.713 33 HG22 VAL -1 1HG2 VAL -1 5.606 -7.536 -9.638 34 HG23 VAL -1 2HG2 VAL -1 6.099 -7.785 -7.963 35 H ASN 1 H ASN 1 7.134 -5.252 -8.220 36 HA ASN 1 HA ASN 1 6.734 -3.503 -10.521 37 HB2 ASN 1 2HB ASN 1 9.428 -4.255 -9.435 38 HB3 ASN 1 3HB ASN 1 8.922 -2.759 -10.214 39 HD21 ASN 1 1HD2 ASN 1 6.784 -1.964 -8.844 40 HD22 ASN 1 2HD2 ASN 1 7.173 -1.683 -7.184 41 H GLN 2 H GLN 2 5.855 -5.735 -11.421 42 HA GLN 2 HA GLN 2 8.058 -7.240 -12.639 43 HB2 GLN 2 2HB GLN 2 6.246 -8.472 -11.422 44 HB3 GLN 2 3HB GLN 2 5.112 -7.908 -12.642 45 HG2 GLN 2 2HG GLN 2 5.787 -10.158 -13.141 46 HG3 GLN 2 3HG GLN 2 6.424 -9.064 -14.368 47 HE21 GLN 2 1HE2 GLN 2 7.718 -11.171 -14.581 48 HE22 GLN 2 2HE2 GLN 2 9.220 -11.213 -13.729 49 H ARG 3 H ARG 3 8.457 -7.194 -14.777 50 HA ARG 3 HA ARG 3 6.972 -5.270 -16.376 51 HB2 ARG 3 2HB ARG 3 8.789 -5.327 -17.898 52 HB3 ARG 3 3HB ARG 3 9.502 -5.360 -16.291 53 HG2 ARG 3 2HG ARG 3 9.304 -8.001 -16.776 54 HG3 ARG 3 3HG ARG 3 9.527 -7.390 -18.416 55 HD2 ARG 3 2HD ARG 3 11.706 -7.712 -17.740 56 HD3 ARG 3 3HD ARG 3 11.458 -6.011 -17.345 57 HE ARG 3 HE ARG 3 10.791 -7.240 -15.049 58 HH11 ARG 3 1HH1 ARG 3 13.554 -7.525 -17.148 59 HH12 ARG 3 2HH1 ARG 3 14.646 -7.942 -15.869 60 HH21 ARG 3 1HH2 ARG 3 12.219 -7.789 -13.357 61 HH22 ARG 3 2HH2 ARG 3 13.885 -8.093 -13.713 62 H ALA 4 H ALA 4 6.435 -5.822 -18.648 63 HA ALA 4 HA ALA 4 6.005 -8.614 -19.264 64 HB1 ALA 4 1HB ALA 4 3.463 -7.413 -19.669 65 HB2 ALA 4 2HB ALA 4 3.886 -8.777 -18.633 66 HB3 ALA 4 3HB ALA 4 3.948 -7.134 -17.996 67 H VAL 5 H VAL 5 5.385 -8.974 -21.452 68 HA VAL 5 HA VAL 5 5.992 -6.685 -23.191 69 HB VAL 5 HB VAL 5 7.430 -8.714 -23.389 70 HG11 VAL 5 1HG1 VAL 5 5.186 -10.096 -24.789 71 HG12 VAL 5 2HG1 VAL 5 6.646 -10.771 -24.064 72 HG13 VAL 5 3HG1 VAL 5 5.323 -10.220 -23.036 73 HG21 VAL 5 3HG2 VAL 5 5.801 -8.071 -25.847 74 HG22 VAL 5 1HG2 VAL 5 7.161 -7.123 -25.242 75 HG23 VAL 5 2HG2 VAL 5 7.420 -8.769 -25.820 76 H ALA 6 H ALA 6 4.732 -6.261 -25.036 77 HA ALA 6 HA ALA 6 1.932 -6.970 -24.716 78 HB1 ALA 6 1HB ALA 6 2.023 -4.734 -25.158 79 HB2 ALA 6 2HB ALA 6 3.431 -4.884 -26.210 80 HB3 ALA 6 3HB ALA 6 1.836 -5.349 -26.800 81 H LEU 7 H LEU 7 1.398 -8.906 -25.530 82 HA LEU 7 HA LEU 7 2.688 -10.106 -27.760 83 HB2 LEU 7 2HB LEU 7 -0.034 -10.854 -26.741 84 HB3 LEU 7 3HB LEU 7 1.173 -11.886 -27.505 85 HG LEU 7 HG LEU 7 1.423 -10.682 -24.749 86 HD11 LEU 7 1HD1 LEU 7 0.715 -12.676 -23.835 87 HD12 LEU 7 2HD1 LEU 7 1.032 -13.589 -25.310 88 HD13 LEU 7 3HD1 LEU 7 -0.363 -12.513 -25.222 89 HD21 LEU 7 3HD2 LEU 7 3.371 -11.699 -26.484 90 HD22 LEU 7 1HD2 LEU 7 3.067 -12.973 -25.303 91 HD23 LEU 7 2HD2 LEU 7 3.537 -11.361 -24.760 92 H TYR 8 H TYR 8 -0.278 -8.256 -27.351 93 HA TYR 8 HA TYR 8 -0.396 -7.890 -30.246 94 HB2 TYR 8 2HB TYR 8 -2.961 -8.464 -28.810 95 HB3 TYR 8 3HB TYR 8 -2.585 -8.618 -30.523 96 HD1 TYR 8 HD2 TYR 8 -1.010 -10.506 -31.226 97 HD2 TYR 8 HD1 TYR 8 -2.853 -10.326 -27.395 98 HE1 TYR 8 HE2 TYR 8 -0.606 -12.914 -30.924 99 HE2 TYR 8 HE1 TYR 8 -2.452 -12.732 -27.082 100 HH TYR 8 HH TYR 8 -2.020 -14.811 -29.167 101 H ASP 9 H ASP 9 -1.716 -6.069 -30.891 102 HA ASP 9 HA ASP 9 -1.483 -3.886 -29.032 103 HB2 ASP 9 2HB ASP 9 -2.156 -2.476 -30.872 104 HB3 ASP 9 3HB ASP 9 -0.996 -3.659 -31.469 105 H PHE 10 H PHE 10 -3.053 -2.896 -27.894 106 HA PHE 10 HA PHE 10 -5.842 -3.677 -28.382 107 HB2 PHE 10 2HB PHE 10 -5.502 -5.024 -26.545 108 HB3 PHE 10 3HB PHE 10 -4.265 -3.970 -25.867 109 HD1 PHE 10 HD2 PHE 10 -7.870 -4.548 -26.205 110 HD2 PHE 10 HD1 PHE 10 -4.839 -2.150 -24.421 111 HE1 PHE 10 HE2 PHE 10 -9.536 -3.593 -24.666 112 HE2 PHE 10 HE1 PHE 10 -6.500 -1.192 -22.879 113 HZ PHE 10 HZ PHE 10 -8.852 -1.912 -23.001 114 H GLU 11 H GLU 11 -7.388 -2.122 -27.897 115 HA GLU 11 HA GLU 11 -6.313 0.551 -27.276 116 HB2 GLU 11 2HB GLU 11 -7.463 -0.137 -29.611 117 HB3 GLU 11 3HB GLU 11 -8.899 0.321 -28.707 118 HG2 GLU 11 2HG GLU 11 -8.148 2.523 -28.415 119 HG3 GLU 11 3HG GLU 11 -6.500 2.110 -28.887 120 HA PRO 12 HA PRO 12 -8.913 0.491 -23.710 121 HB2 PRO 12 2HB PRO 12 -8.853 3.149 -23.161 122 HB3 PRO 12 3HB PRO 12 -7.488 2.072 -22.844 123 HG2 PRO 12 2HG PRO 12 -7.940 3.930 -25.148 124 HG3 PRO 12 3HG PRO 12 -6.457 3.639 -24.219 125 HD2 PRO 12 2HD PRO 12 -6.900 2.521 -26.646 126 HD3 PRO 12 3HD PRO 12 -5.962 1.708 -25.377 127 H GLU 13 H GLU 13 -11.013 1.014 -23.082 128 HA GLU 13 HA GLU 13 -12.657 2.276 -25.176 129 HB2 GLU 13 2HB GLU 13 -13.070 -0.096 -23.444 130 HB3 GLU 13 3HB GLU 13 -14.479 0.912 -23.744 131 HG2 GLU 13 2HG GLU 13 -12.770 -0.039 -26.005 132 HG3 GLU 13 3HG GLU 13 -14.010 -1.078 -25.304 133 H ASN 14 H ASN 14 -11.595 2.482 -21.948 134 HA ASN 14 HA ASN 14 -13.682 4.471 -21.339 135 HB2 ASN 14 2HB ASN 14 -12.221 2.510 -19.609 136 HB3 ASN 14 3HB ASN 14 -12.812 4.012 -18.904 137 HD21 ASN 14 1HD2 ASN 14 -13.549 0.869 -19.463 138 HD22 ASN 14 2HD2 ASN 14 -15.272 0.951 -19.368 139 H ASP 15 H ASP 15 -12.795 6.057 -19.559 140 HA ASP 15 HA ASP 15 -10.424 7.286 -20.729 141 HB2 ASP 15 2HB ASP 15 -12.494 8.284 -18.769 142 HB3 ASP 15 3HB ASP 15 -11.064 9.212 -19.211 143 H ASN 16 H ASN 16 -10.435 4.887 -18.875 144 HA ASN 16 HA ASN 16 -8.384 5.924 -17.052 145 HB2 ASN 16 2HB ASN 16 -9.363 4.102 -15.411 146 HB3 ASN 16 3HB ASN 16 -10.048 5.724 -15.466 147 HD21 ASN 16 1HD2 ASN 16 -10.680 2.445 -15.693 148 HD22 ASN 16 2HD2 ASN 16 -12.296 2.534 -16.298 149 H GLU 17 H GLU 17 -8.781 4.148 -19.596 150 HA GLU 17 HA GLU 17 -7.244 1.825 -18.652 151 HB2 GLU 17 2HB GLU 17 -8.921 2.254 -21.122 152 HB3 GLU 17 3HB GLU 17 -7.842 0.879 -20.934 153 HG2 GLU 17 2HG GLU 17 -9.115 0.416 -18.764 154 HG3 GLU 17 3HG GLU 17 -10.320 1.539 -19.390 155 H LEU 18 H LEU 18 -5.498 1.052 -20.052 156 HA LEU 18 HA LEU 18 -4.090 3.303 -21.325 157 HB2 LEU 18 2HB LEU 18 -2.808 2.608 -19.497 158 HB3 LEU 18 3HB LEU 18 -3.121 0.903 -19.813 159 HG LEU 18 HG LEU 18 -1.673 1.053 -21.818 160 HD11 LEU 18 1HD1 LEU 18 -0.401 3.540 -20.966 161 HD12 LEU 18 2HD1 LEU 18 -2.031 3.752 -21.603 162 HD13 LEU 18 3HD1 LEU 18 -0.797 2.961 -22.584 163 HD21 LEU 18 3HD2 LEU 18 -0.936 0.549 -19.349 164 HD22 LEU 18 1HD2 LEU 18 -0.044 2.059 -19.536 165 HD23 LEU 18 2HD2 LEU 18 0.262 0.714 -20.635 166 H ARG 19 H ARG 19 -3.037 2.994 -23.293 167 HA ARG 19 HA ARG 19 -4.218 0.960 -24.973 168 HB2 ARG 19 2HB ARG 19 -2.141 3.013 -25.740 169 HB3 ARG 19 3HB ARG 19 -3.221 2.132 -26.813 170 HG2 ARG 19 2HG ARG 19 -4.932 3.538 -26.457 171 HG3 ARG 19 3HG ARG 19 -4.559 3.725 -24.743 172 HD2 ARG 19 2HD ARG 19 -2.441 4.982 -25.884 173 HD3 ARG 19 3HD ARG 19 -3.714 5.332 -27.053 174 HE ARG 19 HE ARG 19 -4.724 5.862 -24.510 175 HH11 ARG 19 1HH1 ARG 19 -2.262 7.062 -26.660 176 HH12 ARG 19 2HH1 ARG 19 -2.337 8.682 -26.051 177 HH21 ARG 19 1HH2 ARG 19 -4.831 7.991 -23.700 178 HH22 ARG 19 2HH2 ARG 19 -3.798 9.210 -24.367 179 H LEU 20 H LEU 20 -2.973 -0.463 -26.331 180 HA LEU 20 HA LEU 20 -0.245 -1.019 -25.424 181 HB2 LEU 20 2HB LEU 20 -2.403 -2.514 -24.575 182 HB3 LEU 20 3HB LEU 20 -1.770 -3.445 -25.931 183 HG LEU 20 HG LEU 20 0.361 -3.676 -24.859 184 HD11 LEU 20 1HD1 LEU 20 -0.591 -1.425 -23.280 185 HD12 LEU 20 2HD1 LEU 20 1.055 -1.964 -23.612 186 HD13 LEU 20 3HD1 LEU 20 0.134 -2.700 -22.301 187 HD21 LEU 20 3HD2 LEU 20 -0.837 -5.420 -24.045 188 HD22 LEU 20 1HD2 LEU 20 -2.101 -4.385 -23.378 189 HD23 LEU 20 2HD2 LEU 20 -0.570 -4.570 -22.521 190 H ALA 21 H ALA 21 1.060 -2.101 -26.939 191 HA ALA 21 HA ALA 21 -0.093 -2.580 -29.589 192 HB1 ALA 21 1HB ALA 21 1.750 -0.429 -28.887 193 HB2 ALA 21 2HB ALA 21 2.305 -1.424 -30.235 194 HB3 ALA 21 3HB ALA 21 0.731 -0.632 -30.313 195 H GLU 22 H GLU 22 0.773 -4.287 -30.644 196 HA GLU 22 HA GLU 22 2.186 -6.249 -29.327 197 HB2 GLU 22 2HB GLU 22 0.938 -6.622 -31.413 198 HB3 GLU 22 3HB GLU 22 2.157 -5.721 -32.303 199 HG2 GLU 22 2HG GLU 22 3.586 -7.672 -30.937 200 HG3 GLU 22 3HG GLU 22 2.129 -8.489 -31.501 201 H GLY 23 H GLY 23 4.203 -6.373 -28.612 202 HA2 GLY 23 2HA GLY 23 6.554 -6.370 -28.923 203 HA3 GLY 23 3HA GLY 23 6.359 -5.170 -30.191 204 H ASP 24 H ASP 24 4.403 -4.094 -27.844 205 HA ASP 24 HA ASP 24 6.339 -2.133 -26.961 206 HB2 ASP 24 2HB ASP 24 3.376 -2.434 -26.440 207 HB3 ASP 24 3HB ASP 24 4.354 -1.108 -25.817 208 H ILE 25 H ILE 25 6.958 -1.745 -24.835 209 HA ILE 25 HA ILE 25 6.691 -4.065 -23.062 210 HB ILE 25 HB ILE 25 8.638 -1.760 -22.927 211 HG12 ILE 25 2HG1 ILE 25 8.740 -3.618 -24.804 212 HG13 ILE 25 3HG1 ILE 25 10.204 -3.070 -23.995 213 HG21 ILE 25 1HG2 ILE 25 9.803 -3.434 -21.342 214 HG22 ILE 25 2HG2 ILE 25 8.445 -2.489 -20.733 215 HG23 ILE 25 3HG2 ILE 25 8.206 -4.171 -21.207 216 HD11 ILE 25 3HD1 ILE 25 9.847 -5.583 -24.311 217 HD12 ILE 25 1HD1 ILE 25 10.371 -5.009 -22.728 218 HD13 ILE 25 2HD1 ILE 25 8.682 -5.442 -22.995 219 H VAL 26 H VAL 26 5.940 -3.904 -20.981 220 HA VAL 26 HA VAL 26 5.134 -1.291 -19.959 221 HB VAL 26 HB VAL 26 2.895 -2.400 -19.270 222 HG11 VAL 26 1HG1 VAL 26 1.920 -1.776 -21.552 223 HG12 VAL 26 2HG1 VAL 26 2.807 -0.529 -20.673 224 HG13 VAL 26 3HG1 VAL 26 3.576 -1.384 -22.011 225 HG21 VAL 26 3HG2 VAL 26 3.447 -4.658 -20.002 226 HG22 VAL 26 1HG2 VAL 26 2.051 -4.040 -20.885 227 HG23 VAL 26 2HG2 VAL 26 3.634 -4.089 -21.660 228 H PHE 27 H PHE 27 4.596 -1.317 -17.684 229 HA PHE 27 HA PHE 27 5.802 -3.608 -16.277 230 HB2 PHE 27 2HB PHE 27 5.756 -0.697 -15.452 231 HB3 PHE 27 3HB PHE 27 6.440 -2.012 -14.501 232 HD1 PHE 27 HD2 PHE 27 8.187 -3.496 -15.893 233 HD2 PHE 27 HD1 PHE 27 7.216 0.575 -16.667 234 HE1 PHE 27 HE2 PHE 27 10.344 -3.203 -17.039 235 HE2 PHE 27 HE1 PHE 27 9.371 0.875 -17.815 236 HZ PHE 27 HZ PHE 27 10.939 -1.015 -18.001 237 H ILE 28 H ILE 28 4.259 -4.808 -15.386 238 HA ILE 28 HA ILE 28 1.672 -3.799 -14.733 239 HB ILE 28 HB ILE 28 2.807 -6.412 -13.761 240 HG12 ILE 28 2HG1 ILE 28 3.293 -6.288 -16.138 241 HG13 ILE 28 3HG1 ILE 28 1.959 -7.405 -15.872 242 HG21 ILE 28 1HG2 ILE 28 0.034 -5.414 -14.373 243 HG22 ILE 28 2HG2 ILE 28 0.415 -7.112 -14.086 244 HG23 ILE 28 3HG2 ILE 28 0.684 -5.921 -12.814 245 HD11 ILE 28 3HD1 ILE 28 0.980 -6.285 -17.533 246 HD12 ILE 28 1HD1 ILE 28 0.638 -5.070 -16.302 247 HD13 ILE 28 2HD1 ILE 28 2.043 -4.891 -17.353 248 H SER 29 H SER 29 1.578 -2.323 -13.133 249 HA SER 29 HA SER 29 3.221 -2.306 -10.839 250 HB2 SER 29 2HB SER 29 0.674 -0.909 -11.601 251 HB3 SER 29 3HB SER 29 1.306 -0.762 -9.961 252 HG SER 29 HG SER 29 2.246 0.877 -11.040 253 H TYR 30 H TYR 30 -0.015 -3.581 -11.446 254 HA TYR 30 HA TYR 30 0.194 -5.570 -9.463 255 HB2 TYR 30 2HB TYR 30 -1.293 -4.787 -7.766 256 HB3 TYR 30 3HB TYR 30 -0.087 -3.528 -8.010 257 HD1 TYR 30 HD2 TYR 30 -3.606 -4.450 -8.452 258 HD2 TYR 30 HD1 TYR 30 -0.695 -1.393 -8.985 259 HE1 TYR 30 HE2 TYR 30 -5.403 -2.814 -8.833 260 HE2 TYR 30 HE1 TYR 30 -2.483 0.252 -9.367 261 HH TYR 30 HH TYR 30 -5.813 -0.705 -9.726 262 H LYS 31 H LYS 31 -1.559 -7.007 -9.481 263 HA LYS 31 HA LYS 31 -3.154 -6.883 -11.880 264 HB2 LYS 31 2HB LYS 31 -2.331 -9.032 -11.414 265 HB3 LYS 31 3HB LYS 31 -2.761 -8.927 -9.712 266 HG2 LYS 31 2HG LYS 31 -5.058 -9.239 -10.176 267 HG3 LYS 31 3HG LYS 31 -4.811 -9.002 -11.907 268 HD2 LYS 31 2HD LYS 31 -3.696 -11.075 -12.128 269 HD3 LYS 31 3HD LYS 31 -3.517 -11.249 -10.380 270 HE2 LYS 31 2HE LYS 31 -5.677 -11.932 -10.090 271 HE3 LYS 31 3HE LYS 31 -6.267 -11.016 -11.477 272 HZ1 LYS 31 3HZ LYS 31 -4.455 -13.126 -12.195 273 HZ2 LYS 31 1HZ LYS 31 -5.981 -12.752 -12.823 274 HZ3 LYS 31 2HZ LYS 31 -5.850 -13.691 -11.422 275 H HIS 32 H HIS 32 -5.367 -6.713 -12.033 276 HA HIS 32 HA HIS 32 -6.825 -6.090 -9.554 277 HB2 HIS 32 2HB HIS 32 -6.149 -4.087 -11.090 278 HB3 HIS 32 3HB HIS 32 -7.462 -4.662 -12.114 279 HD1 HIS 32 HD1 HIS 32 -7.033 -3.827 -8.418 280 HD2 HIS 32 HD2 HIS 32 -9.788 -3.447 -11.504 281 HE1 HIS 32 HE1 HIS 32 -8.980 -2.577 -7.431 282 H GLY 33 H GLY 33 -9.147 -6.407 -9.681 283 HA2 GLY 33 2HA GLY 33 -9.835 -8.858 -10.897 284 HA3 GLY 33 3HA GLY 33 -10.959 -7.740 -10.137 285 H GLN 34 H GLN 34 -12.200 -8.783 -12.040 286 HA GLN 34 HA GLN 34 -13.331 -8.422 -13.981 287 HB2 GLN 34 2HB GLN 34 -11.877 -5.779 -14.120 288 HB3 GLN 34 3HB GLN 34 -13.380 -6.208 -14.927 289 HG2 GLN 34 2HG GLN 34 -13.098 -6.153 -11.938 290 HG3 GLN 34 3HG GLN 34 -13.576 -4.745 -12.885 291 HE21 GLN 34 1HE2 GLN 34 -15.309 -5.539 -14.649 292 HE22 GLN 34 2HE2 GLN 34 -16.669 -6.334 -13.940 293 H GLY 35 H GLY 35 -10.314 -9.233 -13.797 294 HA2 GLY 35 2HA GLY 35 -8.842 -10.150 -15.310 295 HA3 GLY 35 3HA GLY 35 -10.051 -9.876 -16.556 296 H TRP 36 H TRP 36 -8.812 -7.290 -14.563 297 HA TRP 36 HA TRP 36 -7.301 -6.286 -16.886 298 HB2 TRP 36 2HB TRP 36 -9.071 -4.770 -14.966 299 HB3 TRP 36 3HB TRP 36 -7.916 -3.978 -16.034 300 HD1 TRP 36 HD1 TRP 36 -11.339 -5.573 -16.003 301 HE1 TRP 36 HE1 TRP 36 -12.428 -5.300 -18.319 302 HE3 TRP 36 HE3 TRP 36 -7.289 -3.853 -18.605 303 HZ2 TRP 36 HZ2 TRP 36 -11.670 -4.467 -20.907 304 HZ3 TRP 36 HZ3 TRP 36 -7.555 -3.342 -20.997 305 HH2 TRP 36 HH2 TRP 36 -9.701 -3.644 -22.123 306 H LEU 37 H LEU 37 -5.295 -5.469 -16.519 307 HA LEU 37 HA LEU 37 -4.362 -5.435 -13.723 308 HB2 LEU 37 2HB LEU 37 -2.468 -5.957 -15.956 309 HB3 LEU 37 3HB LEU 37 -2.404 -6.489 -14.277 310 HG LEU 37 HG LEU 37 -4.093 -7.645 -16.492 311 HD11 LEU 37 1HD1 LEU 37 -2.164 -8.748 -16.821 312 HD12 LEU 37 2HD1 LEU 37 -2.673 -9.677 -15.411 313 HD13 LEU 37 3HD1 LEU 37 -1.535 -8.342 -15.224 314 HD21 LEU 37 3HD2 LEU 37 -4.509 -7.650 -13.641 315 HD22 LEU 37 1HD2 LEU 37 -4.222 -9.284 -14.238 316 HD23 LEU 37 2HD2 LEU 37 -5.521 -8.310 -14.926 317 H VAL 38 H VAL 38 -3.336 -3.650 -13.036 318 HA VAL 38 HA VAL 38 -3.254 -1.353 -14.774 319 HB VAL 38 HB VAL 38 -2.365 -1.653 -11.902 320 HG11 VAL 38 1HG1 VAL 38 -2.242 0.578 -13.813 321 HG12 VAL 38 2HG1 VAL 38 -2.916 0.976 -12.231 322 HG13 VAL 38 3HG1 VAL 38 -1.300 0.278 -12.352 323 HG21 VAL 38 3HG2 VAL 38 -4.953 -0.871 -13.187 324 HG22 VAL 38 1HG2 VAL 38 -4.660 -1.987 -11.854 325 HG23 VAL 38 2HG2 VAL 38 -4.519 -0.249 -11.595 326 H ALA 39 H ALA 39 -1.641 -1.164 -16.188 327 HA ALA 39 HA ALA 39 1.105 -1.604 -15.221 328 HB1 ALA 39 1HB ALA 39 0.594 -2.090 -18.090 329 HB2 ALA 39 2HB ALA 39 1.690 -2.907 -16.975 330 HB3 ALA 39 3HB ALA 39 -0.030 -3.294 -16.962 331 H GLU 40 H GLU 40 2.747 -0.375 -16.371 332 HA GLU 40 HA GLU 40 1.664 2.119 -17.510 333 HB2 GLU 40 2HB GLU 40 3.477 3.329 -16.523 334 HB3 GLU 40 3HB GLU 40 2.750 2.341 -15.264 335 HG2 GLU 40 2HG GLU 40 4.786 0.787 -16.419 336 HG3 GLU 40 3HG GLU 40 5.453 2.402 -16.182 337 H ASN 41 H ASN 41 2.999 3.199 -19.099 338 HA ASN 41 HA ASN 41 4.026 1.383 -21.040 339 HB2 ASN 41 2HB ASN 41 4.123 3.198 -22.479 340 HB3 ASN 41 3HB ASN 41 2.882 3.722 -21.344 341 HD21 ASN 41 1HD2 ASN 41 4.361 4.506 -19.198 342 HD22 ASN 41 2HD2 ASN 41 5.346 5.860 -19.625 343 H GLU 42 H GLU 42 6.207 2.383 -22.170 344 HA GLU 42 HA GLU 42 8.296 1.565 -20.427 345 HB2 GLU 42 2HB GLU 42 8.047 1.607 -23.098 346 HB3 GLU 42 3HB GLU 42 8.961 3.093 -22.884 347 HG2 GLU 42 2HG GLU 42 10.483 1.557 -21.393 348 HG3 GLU 42 3HG GLU 42 9.765 0.280 -22.374 349 H SER 43 H SER 43 7.153 4.694 -21.576 350 HA SER 43 HA SER 43 9.247 6.306 -20.710 351 HB2 SER 43 2HB SER 43 7.048 6.866 -22.042 352 HB3 SER 43 3HB SER 43 6.421 7.263 -20.443 353 HG SER 43 HG SER 43 7.344 9.091 -21.404 354 H GLY 44 H GLY 44 6.865 4.607 -18.893 355 HA2 GLY 44 2HA GLY 44 6.630 4.321 -16.623 356 HA3 GLY 44 3HA GLY 44 8.144 5.190 -16.425 357 H SER 45 H SER 45 5.920 6.970 -18.220 358 HA SER 45 HA SER 45 5.280 8.588 -15.849 359 HB2 SER 45 2HB SER 45 6.598 9.531 -17.889 360 HB3 SER 45 3HB SER 45 5.019 9.581 -18.674 361 HG SER 45 HG SER 45 5.311 10.680 -16.110 362 H LYS 46 H LYS 46 3.935 6.696 -18.383 363 HA LYS 46 HA LYS 46 1.229 7.644 -17.713 364 HB2 LYS 46 2HB LYS 46 1.108 7.842 -19.956 365 HB3 LYS 46 3HB LYS 46 2.504 6.804 -20.216 366 HG2 LYS 46 2HG LYS 46 1.193 4.850 -20.141 367 HG3 LYS 46 3HG LYS 46 -0.195 5.715 -19.476 368 HD2 LYS 46 2HD LYS 46 -0.893 5.681 -21.625 369 HD3 LYS 46 3HD LYS 46 0.163 7.089 -21.766 370 HE2 LYS 46 2HE LYS 46 1.904 5.811 -22.715 371 HE3 LYS 46 3HE LYS 46 1.145 4.289 -22.250 372 HZ1 LYS 46 3HZ LYS 46 0.025 4.251 -24.145 373 HZ2 LYS 46 1HZ LYS 46 0.904 5.600 -24.664 374 HZ3 LYS 46 2HZ LYS 46 -0.589 5.808 -23.899 375 H THR 47 H THR 47 -0.016 6.348 -16.545 376 HA THR 47 HA THR 47 0.464 3.447 -16.641 377 HB THR 47 HB THR 47 -0.223 4.906 -14.090 378 HG1 THR 47 HG1 THR 47 1.866 5.529 -14.692 379 HG21 THR 47 3HG2 THR 47 0.496 2.085 -14.811 380 HG22 THR 47 1HG2 THR 47 -0.857 2.675 -13.846 381 HG23 THR 47 2HG2 THR 47 0.777 2.699 -13.182 382 H GLY 48 H GLY 48 -1.319 2.256 -16.933 383 HA2 GLY 48 2HA GLY 48 -3.914 3.240 -16.060 384 HA3 GLY 48 3HA GLY 48 -3.710 3.072 -17.797 385 H LEU 49 H LEU 49 -5.426 1.520 -17.752 386 HA LEU 49 HA LEU 49 -4.773 -1.041 -16.483 387 HB2 LEU 49 2HB LEU 49 -7.323 -0.017 -17.720 388 HB3 LEU 49 3HB LEU 49 -7.116 -1.643 -17.071 389 HG LEU 49 HG LEU 49 -6.604 0.699 -15.295 390 HD11 LEU 49 1HD1 LEU 49 -9.334 -0.372 -15.993 391 HD12 LEU 49 2HD1 LEU 49 -8.726 1.250 -16.326 392 HD13 LEU 49 3HD1 LEU 49 -8.976 0.727 -14.660 393 HD21 LEU 49 3HD2 LEU 49 -7.153 -0.802 -13.575 394 HD22 LEU 49 1HD2 LEU 49 -6.185 -1.744 -14.710 395 HD23 LEU 49 2HD2 LEU 49 -7.940 -1.923 -14.688 396 H VAL 50 H VAL 50 -4.251 -2.811 -17.627 397 HA VAL 50 HA VAL 50 -4.588 -2.742 -20.548 398 HB VAL 50 HB VAL 50 -2.408 -3.617 -20.939 399 HG11 VAL 50 1HG1 VAL 50 -2.831 -1.094 -20.072 400 HG12 VAL 50 2HG1 VAL 50 -1.583 -1.620 -18.940 401 HG13 VAL 50 3HG1 VAL 50 -1.283 -1.683 -20.677 402 HG21 VAL 50 3HG2 VAL 50 -2.232 -5.122 -19.049 403 HG22 VAL 50 1HG2 VAL 50 -0.818 -4.070 -19.107 404 HG23 VAL 50 2HG2 VAL 50 -2.102 -3.757 -17.940 405 HA PRO 51 HA PRO 51 -6.212 -6.805 -20.178 406 HB2 PRO 51 2HB PRO 51 -5.459 -7.881 -22.553 407 HB3 PRO 51 3HB PRO 51 -6.735 -6.667 -22.411 408 HG2 PRO 51 2HG PRO 51 -3.867 -6.318 -23.195 409 HG3 PRO 51 3HG PRO 51 -5.318 -5.593 -23.910 410 HD2 PRO 51 2HD PRO 51 -3.716 -4.251 -22.188 411 HD3 PRO 51 3HD PRO 51 -5.467 -3.974 -22.276 412 H GLU 52 H GLU 52 -5.640 -8.821 -19.486 413 HA GLU 52 HA GLU 52 -2.801 -9.288 -19.047 414 HB2 GLU 52 2HB GLU 52 -4.401 -9.553 -17.180 415 HB3 GLU 52 3HB GLU 52 -5.198 -10.846 -18.065 416 HG2 GLU 52 2HG GLU 52 -2.282 -11.007 -17.423 417 HG3 GLU 52 3HG GLU 52 -3.500 -11.446 -16.227 418 H GLU 53 H GLU 53 -5.437 -10.498 -20.957 419 HA GLU 53 HA GLU 53 -4.008 -12.898 -21.741 420 HB2 GLU 53 2HB GLU 53 -6.725 -12.022 -21.779 421 HB3 GLU 53 3HB GLU 53 -6.253 -12.425 -23.424 422 HG2 GLU 53 2HG GLU 53 -7.070 -14.425 -22.625 423 HG3 GLU 53 3HG GLU 53 -5.332 -14.598 -22.390 424 H PHE 54 H PHE 54 -3.363 -9.898 -22.422 425 HA PHE 54 HA PHE 54 -2.842 -10.402 -25.278 426 HB2 PHE 54 2HB PHE 54 -4.052 -8.101 -23.937 427 HB3 PHE 54 3HB PHE 54 -2.715 -7.657 -24.994 428 HD1 PHE 54 HD1 PHE 54 -5.157 -10.417 -25.419 429 HD2 PHE 54 HD2 PHE 54 -3.779 -6.631 -26.792 430 HE1 PHE 54 HE1 PHE 54 -6.648 -10.585 -27.369 431 HE2 PHE 54 HE2 PHE 54 -5.269 -6.792 -28.743 432 HZ PHE 54 HZ PHE 54 -6.706 -8.771 -29.033 433 H VAL 55 H VAL 55 -1.489 -10.015 -22.266 434 HA VAL 55 HA VAL 55 1.089 -9.185 -23.432 435 HB VAL 55 HB VAL 55 1.692 -8.363 -21.141 436 HG11 VAL 55 1HG1 VAL 55 0.430 -7.083 -23.175 437 HG12 VAL 55 2HG1 VAL 55 -0.648 -6.729 -21.823 438 HG13 VAL 55 3HG1 VAL 55 1.058 -6.290 -21.731 439 HG21 VAL 55 3HG2 VAL 55 -0.265 -7.807 -19.656 440 HG22 VAL 55 1HG2 VAL 55 -1.234 -8.884 -20.661 441 HG23 VAL 55 2HG2 VAL 55 0.142 -9.519 -19.760 442 H SER 56 H SER 56 2.985 -9.966 -22.092 443 HA SER 56 HA SER 56 2.472 -12.576 -20.854 444 HB2 SER 56 2HB SER 56 3.074 -13.057 -23.169 445 HB3 SER 56 3HB SER 56 4.516 -12.051 -23.027 446 HG SER 56 HG SER 56 5.512 -13.643 -22.083 447 H TYR 57 H TYR 57 3.315 -12.543 -18.889 448 HA TYR 57 HA TYR 57 5.010 -10.584 -17.880 449 HB2 TYR 57 2HB TYR 57 4.097 -13.257 -16.961 450 HB3 TYR 57 3HB TYR 57 5.505 -12.576 -16.154 451 HD1 TYR 57 HD1 TYR 57 2.468 -10.863 -17.469 452 HD2 TYR 57 HD2 TYR 57 4.750 -11.945 -14.044 453 HE1 TYR 57 HE1 TYR 57 0.991 -9.492 -16.059 454 HE2 TYR 57 HE2 TYR 57 3.278 -10.578 -12.625 455 HH TYR 57 HH TYR 57 0.314 -9.486 -13.562 456 H ILE 58 H ILE 58 7.107 -10.206 -18.105 457 HA ILE 58 HA ILE 58 8.786 -12.236 -19.367 458 HB ILE 58 HB ILE 58 9.511 -9.375 -18.743 459 HG12 ILE 58 2HG1 ILE 58 8.433 -10.519 -21.328 460 HG13 ILE 58 3HG1 ILE 58 7.514 -9.517 -20.211 461 HG21 ILE 58 1HG2 ILE 58 11.262 -9.681 -20.370 462 HG22 ILE 58 2HG2 ILE 58 11.375 -10.949 -19.150 463 HG23 ILE 58 3HG2 ILE 58 10.687 -11.309 -20.733 464 HD11 ILE 58 3HD1 ILE 58 9.582 -8.774 -22.166 465 HD12 ILE 58 1HD1 ILE 58 8.162 -7.886 -21.615 466 HD13 ILE 58 2HD1 ILE 58 9.622 -7.916 -20.626 467 H GLN 59 H GLN 59 10.622 -13.078 -18.456 468 HA GLN 59 HA GLN 59 11.239 -12.288 -15.691 469 HB2 GLN 59 2HB GLN 59 10.405 -14.919 -16.713 470 HB3 GLN 59 3HB GLN 59 11.831 -14.953 -15.684 471 HG2 GLN 59 2HG GLN 59 10.637 -14.609 -13.843 472 HG3 GLN 59 3HG GLN 59 9.714 -13.303 -14.584 473 HE21 GLN 59 1HE2 GLN 59 9.247 -15.990 -13.008 474 HE22 GLN 59 2HE2 GLN 59 7.852 -16.630 -13.801 475 HA PRO 60 HA PRO 60 15.471 -12.255 -16.838 476 HB2 PRO 60 2HB PRO 60 16.690 -13.273 -14.636 477 HB3 PRO 60 3HB PRO 60 15.959 -11.664 -14.672 478 HG2 PRO 60 2HG PRO 60 14.851 -14.223 -13.585 479 HG3 PRO 60 3HG PRO 60 14.800 -12.595 -12.884 480 HD2 PRO 60 2HD PRO 60 12.692 -13.686 -14.188 481 HD3 PRO 60 3HD PRO 60 13.030 -11.944 -14.209 482 H GLU 61 H GLU 61 14.656 -15.314 -15.188 483 HA GLU 61 HA GLU 61 15.757 -16.815 -17.415 484 HB2 GLU 61 2HB GLU 61 16.821 -17.207 -14.613 485 HB3 GLU 61 3HB GLU 61 17.263 -18.144 -16.034 486 HG2 GLU 61 2HG GLU 61 18.075 -15.957 -17.035 487 HG3 GLU 61 3HG GLU 61 17.919 -15.285 -15.413 488 H LEU 62 H LEU 62 13.174 -16.361 -15.921 489 HA LEU 62 HA LEU 62 12.607 -19.160 -15.203 490 HB2 LEU 62 2HB LEU 62 10.805 -16.896 -14.470 491 HB3 LEU 62 3HB LEU 62 11.014 -18.458 -13.681 492 HG LEU 62 HG LEU 62 12.927 -16.127 -13.562 493 HD11 LEU 62 1HD1 LEU 62 10.639 -16.916 -11.973 494 HD12 LEU 62 2HD1 LEU 62 11.581 -15.426 -11.938 495 HD13 LEU 62 3HD1 LEU 62 12.115 -16.828 -11.012 496 HD21 LEU 62 3HD2 LEU 62 14.288 -18.020 -13.438 497 HD22 LEU 62 1HD2 LEU 62 13.087 -18.939 -12.530 498 HD23 LEU 62 2HD2 LEU 62 13.960 -17.619 -11.751 499 H GLU 63 H GLU 63 10.258 -19.775 -15.614 500 HA GLU 63 HA GLU 63 9.599 -18.987 -18.357 501 HB2 GLU 63 2HB GLU 63 8.266 -21.033 -18.440 502 HB3 GLU 63 3HB GLU 63 9.915 -21.381 -17.939 503 HG2 GLU 63 2HG GLU 63 9.303 -21.945 -15.813 504 HG3 GLU 63 3HG GLU 63 7.864 -20.927 -15.838 505 H1 GLY -9 H GLY -9 -5.213 3.884 -5.780 506 HA2 GLY -9 2HA GLY -9 -5.007 3.004 -8.112 507 HA3 GLY -9 3HA GLY -9 -5.972 1.645 -7.555 508 H LYS -8 H LYS -8 -6.052 4.614 -9.079 509 HA LYS -8 HA LYS -8 -8.774 5.280 -8.312 510 HB2 LYS -8 2HB LYS -8 -6.616 6.589 -9.883 511 HB3 LYS -8 3HB LYS -8 -8.274 7.003 -10.300 512 HG2 LYS -8 2HG LYS -8 -8.702 7.740 -8.043 513 HG3 LYS -8 3HG LYS -8 -7.092 7.222 -7.539 514 HD2 LYS -8 2HD LYS -8 -6.158 8.830 -9.230 515 HD3 LYS -8 3HD LYS -8 -7.799 9.442 -9.451 516 HE2 LYS -8 2HE LYS -8 -7.793 9.761 -6.898 517 HE3 LYS -8 3HE LYS -8 -6.044 9.583 -7.022 518 HZ1 LYS -8 3HZ LYS -8 -6.230 11.821 -7.256 519 HZ2 LYS -8 1HZ LYS -8 -7.764 11.751 -7.966 520 HZ3 LYS -8 2HZ LYS -8 -6.391 11.387 -8.883 521 H PHE -7 H PHE -7 -7.060 3.728 -10.912 522 HA PHE -7 HA PHE -7 -9.111 3.861 -12.862 523 HB2 PHE -7 2HB PHE -7 -7.025 1.691 -12.652 524 HB3 PHE -7 3HB PHE -7 -7.830 2.280 -14.103 525 HD1 PHE -7 HD1 PHE -7 -7.590 5.195 -13.742 526 HD2 PHE -7 HD2 PHE -7 -4.773 2.080 -13.052 527 HE1 PHE -7 HE1 PHE -7 -5.748 6.782 -14.121 528 HE2 PHE -7 HE2 PHE -7 -2.927 3.661 -13.429 529 HZ PHE -7 HZ PHE -7 -3.413 6.016 -13.964 530 H ILE -6 H ILE -6 -10.946 2.756 -13.045 531 HA ILE -6 HA ILE -6 -11.214 0.178 -11.672 532 HB ILE -6 HB ILE -6 -13.320 2.336 -11.520 533 HG12 ILE -6 2HG1 ILE -6 -11.312 2.870 -10.161 534 HG13 ILE -6 3HG1 ILE -6 -12.737 2.565 -9.174 535 HG21 ILE -6 1HG2 ILE -6 -13.295 -0.513 -10.970 536 HG22 ILE -6 2HG2 ILE -6 -13.801 0.437 -9.574 537 HG23 ILE -6 3HG2 ILE -6 -14.656 0.600 -11.108 538 HD11 ILE -6 3HD1 ILE -6 -11.829 0.767 -8.199 539 HD12 ILE -6 1HD1 ILE -6 -11.056 0.217 -9.686 540 HD13 ILE -6 2HD1 ILE -6 -10.308 1.491 -8.722 541 HA PRO -5 HA PRO -5 -12.705 -0.316 -15.946 542 HB2 PRO -5 2HB PRO -5 -12.160 -2.974 -16.042 543 HB3 PRO -5 3HB PRO -5 -10.937 -1.732 -16.334 544 HG2 PRO -5 2HG PRO -5 -11.483 -3.306 -13.846 545 HG3 PRO -5 3HG PRO -5 -9.927 -2.894 -14.591 546 HD2 PRO -5 2HD PRO -5 -10.926 -1.547 -12.465 547 HD3 PRO -5 3HD PRO -5 -9.922 -0.767 -13.704 548 H SER -4 H SER -4 -14.691 -0.936 -16.619 549 HA SER -4 HA SER -4 -16.262 -2.710 -14.876 550 HB2 SER -4 2HB SER -4 -16.928 0.041 -15.828 551 HB3 SER -4 3HB SER -4 -18.234 -1.136 -15.695 552 HG SER -4 HG SER -4 -18.021 -0.039 -13.747 553 H ARG -3 H ARG -3 -15.204 -4.004 -16.797 554 HA ARG -3 HA ARG -3 -17.287 -4.904 -18.431 555 HB2 ARG -3 2HB ARG -3 -16.388 -4.193 -20.658 556 HB3 ARG -3 3HB ARG -3 -17.075 -2.886 -19.704 557 HG2 ARG -3 2HG ARG -3 -14.661 -2.450 -18.941 558 HG3 ARG -3 3HG ARG -3 -14.203 -3.457 -20.316 559 HD2 ARG -3 2HD ARG -3 -14.208 -1.060 -20.871 560 HD3 ARG -3 3HD ARG -3 -15.371 -1.974 -21.832 561 HE ARG -3 HE ARG -3 -16.461 -0.759 -19.451 562 HH11 ARG -3 1HH1 ARG -3 -15.784 -0.385 -22.846 563 HH12 ARG -3 2HH1 ARG -3 -16.986 0.841 -23.084 564 HH21 ARG -3 1HH2 ARG -3 -18.046 0.854 -19.752 565 HH22 ARG -3 2HH2 ARG -3 -18.271 1.545 -21.323 566 HA PRO -2 HA PRO -2 -14.539 -8.307 -18.795 567 HB2 PRO -2 2HB PRO -2 -15.417 -9.459 -21.091 568 HB3 PRO -2 3HB PRO -2 -16.328 -9.517 -19.577 569 HG2 PRO -2 2HG PRO -2 -16.688 -7.710 -21.936 570 HG3 PRO -2 3HG PRO -2 -17.917 -8.546 -20.970 571 HD2 PRO -2 2HD PRO -2 -17.327 -5.925 -20.626 572 HD3 PRO -2 3HD PRO -2 -17.847 -6.971 -19.288 573 H ALA -1 H ALA -1 -12.559 -8.759 -19.607 574 HA ALA -1 HA ALA -1 -11.352 -6.923 -21.424 575 HB1 ALA -1 1HB ALA -1 -9.366 -7.831 -20.796 576 HB2 ALA -1 2HB ALA -1 -10.354 -8.392 -19.447 577 HB3 ALA -1 3HB ALA -1 -9.993 -9.479 -20.788 578 HA PRO 0 HA PRO 0 -11.923 -8.892 -25.305 579 HB2 PRO 0 2HB PRO 0 -9.563 -8.359 -26.538 580 HB3 PRO 0 3HB PRO 0 -10.793 -7.124 -26.241 581 HG2 PRO 0 2HG PRO 0 -8.302 -7.728 -24.695 582 HG3 PRO 0 3HG PRO 0 -8.975 -6.156 -25.162 583 HD2 PRO 0 2HD PRO 0 -9.278 -7.190 -22.678 584 HD3 PRO 0 3HD PRO 0 -10.506 -6.158 -23.438 585 H LYS 1 H LYS 1 -10.590 -10.325 -26.944 586 HA LYS 1 HA LYS 1 -9.102 -12.366 -25.433 587 HB2 LYS 1 2HB LYS 1 -11.665 -12.667 -26.578 588 HB3 LYS 1 3HB LYS 1 -10.553 -13.549 -27.616 589 HG2 LYS 1 2HG LYS 1 -9.992 -15.050 -25.973 590 HG3 LYS 1 3HG LYS 1 -10.402 -13.937 -24.666 591 HD2 LYS 1 2HD LYS 1 -12.032 -15.737 -24.794 592 HD3 LYS 1 3HD LYS 1 -12.784 -14.196 -25.211 593 HE2 LYS 1 2HE LYS 1 -12.928 -14.735 -27.465 594 HE3 LYS 1 3HE LYS 1 -11.669 -15.964 -27.353 595 HZ1 LYS 1 3HZ LYS 1 -13.200 -17.345 -26.075 596 HZ2 LYS 1 1HZ LYS 1 -13.836 -16.975 -27.598 597 HZ3 LYS 1 2HZ LYS 1 -14.409 -16.171 -26.225 598 HA PRO 2 HA PRO 2 -6.083 -12.013 -28.613 599 HB2 PRO 2 2HB PRO 2 -4.897 -14.443 -28.376 600 HB3 PRO 2 3HB PRO 2 -4.671 -13.145 -27.197 601 HG2 PRO 2 2HG PRO 2 -6.489 -15.521 -27.074 602 HG3 PRO 2 3HG PRO 2 -5.468 -14.826 -25.801 603 HD2 PRO 2 2HD PRO 2 -8.131 -14.359 -25.949 604 HD3 PRO 2 3HD PRO 2 -6.984 -13.159 -25.320 605 HA PRO 3 HA PRO 3 -7.509 -13.912 -32.314 606 HB2 PRO 3 2HB PRO 3 -5.200 -14.231 -33.706 607 HB3 PRO 3 3HB PRO 3 -5.950 -12.653 -33.438 608 HG2 PRO 3 2HG PRO 3 -3.671 -13.940 -31.984 609 HG3 PRO 3 3HG PRO 3 -3.845 -12.262 -32.530 610 HD2 PRO 3 2HD PRO 3 -4.275 -13.010 -29.964 611 HD3 PRO 3 3HD PRO 3 -5.166 -11.681 -30.733 612 H SER 4 H SER 4 -6.841 -15.784 -33.905 613 HA SER 4 HA SER 4 -6.705 -18.180 -32.275 614 HB2 SER 4 2HB SER 4 -8.278 -17.681 -34.327 615 HB3 SER 4 3HB SER 4 -6.896 -18.248 -35.264 616 HG SER 4 HG SER 4 -8.693 -19.743 -34.194 617 H SER 5 H SER 5 -5.132 -19.738 -32.363 618 HA SER 5 HA SER 5 -2.981 -19.647 -34.255 619 HB2 SER 5 2HB SER 5 -2.201 -17.857 -32.820 620 HB3 SER 5 3HB SER 5 -2.447 -18.850 -31.384 621 HG SER 5 HG SER 5 -0.240 -18.756 -32.180 622 H ALA 6 H ALA 6 -1.844 -21.549 -34.327 623 HA ALA 6 HA ALA 6 -3.022 -23.798 -33.013 624 HB1 ALA 6 1HB ALA 6 -1.752 -23.510 -35.360 625 HB2 ALA 6 2HB ALA 6 -0.433 -24.152 -34.381 626 HB3 ALA 6 3HB ALA 6 -1.936 -25.060 -34.539 Start of MODEL 5 1 H1 MET -4 H MET -4 -1.016 -0.729 -1.160 2 HA MET -4 HA MET -4 1.332 -2.409 -0.573 3 HB2 MET -4 2HB MET -4 -1.449 -2.415 0.573 4 HB3 MET -4 3HB MET -4 -0.411 -3.830 0.686 5 HG2 MET -4 2HG MET -4 0.403 -1.114 1.677 6 HG3 MET -4 3HG MET -4 -0.424 -2.304 2.680 7 HE1 MET -4 3HE MET -4 2.317 -3.505 4.474 8 HE2 MET -4 1HE MET -4 0.597 -3.191 4.241 9 HE3 MET -4 2HE MET -4 1.292 -4.722 3.712 10 H ALA -3 H ALA -3 0.942 -4.777 -1.002 11 HA ALA -3 HA ALA -3 0.607 -6.443 -2.516 12 HB1 ALA -3 1HB ALA -3 -1.789 -5.838 -1.678 13 HB2 ALA -3 2HB ALA -3 -1.997 -5.225 -3.319 14 HB3 ALA -3 3HB ALA -3 -1.580 -6.919 -3.056 15 H ILE -2 H ILE -2 2.187 -4.427 -3.478 16 HA ILE -2 HA ILE -2 1.310 -4.147 -6.279 17 HB ILE -2 HB ILE -2 3.186 -2.380 -4.705 18 HG12 ILE -2 2HG1 ILE -2 0.542 -1.687 -5.991 19 HG13 ILE -2 3HG1 ILE -2 0.698 -2.156 -4.302 20 HG21 ILE -2 1HG2 ILE -2 3.976 -2.583 -6.978 21 HG22 ILE -2 2HG2 ILE -2 2.361 -2.252 -7.601 22 HG23 ILE -2 3HG2 ILE -2 3.251 -0.992 -6.748 23 HD11 ILE -2 3HD1 ILE -2 2.514 -0.197 -4.381 24 HD12 ILE -2 1HD1 ILE -2 1.422 0.361 -5.648 25 HD13 ILE -2 2HD1 ILE -2 0.809 0.073 -4.019 26 H VAL -1 H VAL -1 2.477 -5.142 -7.789 27 HA VAL -1 HA VAL -1 5.136 -6.171 -7.037 28 HB VAL -1 HB VAL -1 3.186 -7.324 -9.037 29 HG11 VAL -1 1HG1 VAL -1 5.466 -7.699 -9.745 30 HG12 VAL -1 2HG1 VAL -1 5.900 -8.287 -8.139 31 HG13 VAL -1 3HG1 VAL -1 4.780 -9.208 -9.143 32 HG21 VAL -1 3HG2 VAL -1 3.642 -9.244 -7.149 33 HG22 VAL -1 1HG2 VAL -1 3.630 -7.771 -6.179 34 HG23 VAL -1 2HG2 VAL -1 2.241 -8.174 -7.188 35 H ASN 1 H ASN 1 6.844 -5.581 -8.225 36 HA ASN 1 HA ASN 1 6.384 -3.814 -10.503 37 HB2 ASN 1 2HB ASN 1 9.098 -4.432 -9.385 38 HB3 ASN 1 3HB ASN 1 8.519 -2.952 -10.145 39 HD21 ASN 1 1HD2 ASN 1 6.298 -2.340 -8.785 40 HD22 ASN 1 2HD2 ASN 1 6.654 -2.056 -7.118 41 H GLN 2 H GLN 2 5.643 -6.046 -11.482 42 HA GLN 2 HA GLN 2 7.942 -7.436 -12.658 43 HB2 GLN 2 2HB GLN 2 6.082 -8.722 -11.513 44 HB3 GLN 2 3HB GLN 2 5.040 -8.238 -12.845 45 HG2 GLN 2 2HG GLN 2 5.880 -10.465 -13.214 46 HG3 GLN 2 3HG GLN 2 6.545 -9.362 -14.417 47 HE21 GLN 2 1HE2 GLN 2 8.300 -10.672 -14.851 48 HE22 GLN 2 2HE2 GLN 2 9.605 -10.879 -13.738 49 H ARG 3 H ARG 3 8.421 -7.303 -14.772 50 HA ARG 3 HA ARG 3 6.940 -5.391 -16.377 51 HB2 ARG 3 2HB ARG 3 8.790 -5.411 -17.862 52 HB3 ARG 3 3HB ARG 3 9.467 -5.464 -16.240 53 HG2 ARG 3 2HG ARG 3 9.304 -8.098 -16.766 54 HG3 ARG 3 3HG ARG 3 9.550 -7.464 -18.395 55 HD2 ARG 3 2HD ARG 3 11.721 -7.766 -17.693 56 HD3 ARG 3 3HD ARG 3 11.447 -6.078 -17.261 57 HE ARG 3 HE ARG 3 10.784 -7.804 -15.107 58 HH11 ARG 3 1HH1 ARG 3 13.484 -6.393 -16.792 59 HH12 ARG 3 2HH1 ARG 3 14.537 -6.446 -15.417 60 HH21 ARG 3 1HH2 ARG 3 12.160 -7.879 -13.290 61 HH22 ARG 3 2HH2 ARG 3 13.783 -7.293 -13.426 62 H ALA 4 H ALA 4 6.476 -5.906 -18.680 63 HA ALA 4 HA ALA 4 6.065 -8.689 -19.350 64 HB1 ALA 4 1HB ALA 4 3.871 -8.871 -19.001 65 HB2 ALA 4 2HB ALA 4 4.018 -7.422 -18.005 66 HB3 ALA 4 3HB ALA 4 3.545 -7.285 -19.699 67 H VAL 5 H VAL 5 5.476 -9.010 -21.560 68 HA VAL 5 HA VAL 5 6.151 -6.701 -23.247 69 HB VAL 5 HB VAL 5 7.574 -8.732 -23.454 70 HG11 VAL 5 1HG1 VAL 5 5.419 -10.214 -23.162 71 HG12 VAL 5 2HG1 VAL 5 5.381 -10.109 -24.923 72 HG13 VAL 5 3HG1 VAL 5 6.793 -10.783 -24.109 73 HG21 VAL 5 3HG2 VAL 5 7.642 -8.736 -25.864 74 HG22 VAL 5 1HG2 VAL 5 5.993 -8.115 -25.946 75 HG23 VAL 5 2HG2 VAL 5 7.284 -7.103 -25.301 76 H ALA 6 H ALA 6 4.932 -6.213 -25.095 77 HA ALA 6 HA ALA 6 2.120 -6.911 -24.861 78 HB1 ALA 6 1HB ALA 6 2.211 -4.671 -25.248 79 HB2 ALA 6 2HB ALA 6 3.669 -4.786 -26.234 80 HB3 ALA 6 3HB ALA 6 2.106 -5.234 -26.916 81 H LEU 7 H LEU 7 1.607 -8.829 -25.734 82 HA LEU 7 HA LEU 7 2.935 -9.973 -27.967 83 HB2 LEU 7 2HB LEU 7 0.189 -10.723 -27.012 84 HB3 LEU 7 3HB LEU 7 1.386 -11.743 -27.807 85 HG LEU 7 HG LEU 7 1.647 -10.642 -25.010 86 HD11 LEU 7 1HD1 LEU 7 1.274 -13.531 -25.538 87 HD12 LEU 7 2HD1 LEU 7 -0.146 -12.495 -25.676 88 HD13 LEU 7 3HD1 LEU 7 0.762 -12.550 -24.164 89 HD21 LEU 7 3HD2 LEU 7 3.746 -11.362 -25.051 90 HD22 LEU 7 1HD2 LEU 7 3.569 -11.662 -26.780 91 HD23 LEU 7 2HD2 LEU 7 3.237 -12.951 -25.623 92 H TYR 8 H TYR 8 -0.070 -8.168 -27.575 93 HA TYR 8 HA TYR 8 -0.110 -7.715 -30.465 94 HB2 TYR 8 2HB TYR 8 -2.701 -8.296 -29.075 95 HB3 TYR 8 3HB TYR 8 -2.311 -8.400 -30.788 96 HD1 TYR 8 HD2 TYR 8 -0.762 -10.283 -31.544 97 HD2 TYR 8 HD1 TYR 8 -2.609 -10.200 -27.712 98 HE1 TYR 8 HE2 TYR 8 -0.384 -12.703 -31.316 99 HE2 TYR 8 HE1 TYR 8 -2.234 -12.619 -27.472 100 HH TYR 8 HH TYR 8 -0.138 -14.348 -29.340 101 H ASP 9 H ASP 9 -1.362 -5.857 -31.101 102 HA ASP 9 HA ASP 9 -1.161 -3.723 -29.181 103 HB2 ASP 9 2HB ASP 9 -1.500 -2.259 -30.972 104 HB3 ASP 9 3HB ASP 9 -0.679 -3.624 -31.723 105 H PHE 10 H PHE 10 -2.757 -2.730 -28.081 106 HA PHE 10 HA PHE 10 -5.537 -3.459 -28.688 107 HB2 PHE 10 2HB PHE 10 -5.317 -4.833 -26.862 108 HB3 PHE 10 3HB PHE 10 -4.050 -3.848 -26.139 109 HD1 PHE 10 HD2 PHE 10 -7.685 -4.160 -26.640 110 HD2 PHE 10 HD1 PHE 10 -4.557 -2.134 -24.584 111 HE1 PHE 10 HE2 PHE 10 -9.338 -3.163 -25.115 112 HE2 PHE 10 HE1 PHE 10 -6.205 -1.134 -23.055 113 HZ PHE 10 HZ PHE 10 -8.599 -1.647 -23.320 114 H GLU 11 H GLU 11 -7.078 -1.891 -28.229 115 HA GLU 11 HA GLU 11 -5.988 0.758 -27.537 116 HB2 GLU 11 2HB GLU 11 -6.743 0.602 -29.872 117 HB3 GLU 11 3HB GLU 11 -8.336 0.100 -29.324 118 HG2 GLU 11 2HG GLU 11 -8.283 2.346 -28.006 119 HG3 GLU 11 3HG GLU 11 -7.043 2.779 -29.182 120 HA PRO 12 HA PRO 12 -8.669 0.670 -24.030 121 HB2 PRO 12 2HB PRO 12 -8.566 3.314 -23.423 122 HB3 PRO 12 3HB PRO 12 -7.232 2.201 -23.097 123 HG2 PRO 12 2HG PRO 12 -7.588 4.116 -25.371 124 HG3 PRO 12 3HG PRO 12 -6.135 3.774 -24.414 125 HD2 PRO 12 2HD PRO 12 -6.543 2.717 -26.873 126 HD3 PRO 12 3HD PRO 12 -5.653 1.857 -25.600 127 H GLU 13 H GLU 13 -10.789 1.111 -23.511 128 HA GLU 13 HA GLU 13 -12.352 2.467 -25.602 129 HB2 GLU 13 2HB GLU 13 -12.836 0.096 -23.898 130 HB3 GLU 13 3HB GLU 13 -14.224 1.138 -24.179 131 HG2 GLU 13 2HG GLU 13 -13.842 0.929 -26.609 132 HG3 GLU 13 3HG GLU 13 -12.530 -0.200 -26.275 133 H ASN 14 H ASN 14 -11.384 2.625 -22.331 134 HA ASN 14 HA ASN 14 -13.442 4.657 -21.769 135 HB2 ASN 14 2HB ASN 14 -12.028 2.678 -20.023 136 HB3 ASN 14 3HB ASN 14 -12.582 4.196 -19.321 137 HD21 ASN 14 1HD2 ASN 14 -13.401 1.068 -19.925 138 HD22 ASN 14 2HD2 ASN 14 -15.120 1.196 -19.815 139 H ASP 15 H ASP 15 -12.571 6.255 -20.003 140 HA ASP 15 HA ASP 15 -10.189 7.469 -21.153 141 HB2 ASP 15 2HB ASP 15 -12.327 8.435 -19.268 142 HB3 ASP 15 3HB ASP 15 -10.838 9.346 -19.503 143 H ASN 16 H ASN 16 -10.400 5.093 -19.145 144 HA ASN 16 HA ASN 16 -8.253 6.082 -17.395 145 HB2 ASN 16 2HB ASN 16 -9.272 4.325 -15.721 146 HB3 ASN 16 3HB ASN 16 -9.935 5.954 -15.815 147 HD21 ASN 16 1HD2 ASN 16 -10.590 2.664 -16.019 148 HD22 ASN 16 2HD2 ASN 16 -12.211 2.765 -16.609 149 H GLU 17 H GLU 17 -8.637 4.328 -19.925 150 HA GLU 17 HA GLU 17 -7.258 1.921 -18.957 151 HB2 GLU 17 2HB GLU 17 -8.809 2.516 -21.466 152 HB3 GLU 17 3HB GLU 17 -7.736 1.128 -21.358 153 HG2 GLU 17 2HG GLU 17 -9.072 0.543 -19.234 154 HG3 GLU 17 3HG GLU 17 -10.270 1.669 -19.869 155 H LEU 18 H LEU 18 -5.457 1.098 -20.243 156 HA LEU 18 HA LEU 18 -3.851 3.302 -21.350 157 HB2 LEU 18 2HB LEU 18 -3.261 1.540 -19.314 158 HB3 LEU 18 3HB LEU 18 -2.423 0.847 -20.702 159 HG LEU 18 HG LEU 18 -2.021 3.574 -19.485 160 HD11 LEU 18 1HD1 LEU 18 -0.204 2.726 -18.510 161 HD12 LEU 18 2HD1 LEU 18 0.272 1.844 -19.960 162 HD13 LEU 18 3HD1 LEU 18 -0.907 1.145 -18.851 163 HD21 LEU 18 3HD2 LEU 18 -1.888 3.938 -21.819 164 HD22 LEU 18 1HD2 LEU 18 -1.013 2.429 -22.078 165 HD23 LEU 18 2HD2 LEU 18 -0.226 3.773 -21.251 166 H ARG 19 H ARG 19 -2.806 3.068 -23.300 167 HA ARG 19 HA ARG 19 -3.936 1.114 -25.098 168 HB2 ARG 19 2HB ARG 19 -1.786 3.151 -25.690 169 HB3 ARG 19 3HB ARG 19 -2.822 2.327 -26.847 170 HG2 ARG 19 2HG ARG 19 -4.554 3.724 -26.499 171 HG3 ARG 19 3HG ARG 19 -4.209 3.895 -24.777 172 HD2 ARG 19 2HD ARG 19 -3.307 5.880 -25.195 173 HD3 ARG 19 3HD ARG 19 -2.054 5.077 -26.141 174 HE ARG 19 HE ARG 19 -3.026 5.931 -28.013 175 HH11 ARG 19 1HH1 ARG 19 -5.418 5.823 -25.486 176 HH12 ARG 19 2HH1 ARG 19 -6.643 6.600 -26.434 177 HH21 ARG 19 1HH2 ARG 19 -4.630 6.954 -29.271 178 HH22 ARG 19 2HH2 ARG 19 -6.194 7.242 -28.587 179 H LEU 20 H LEU 20 -2.656 -0.276 -26.465 180 HA LEU 20 HA LEU 20 0.022 -0.922 -25.484 181 HB2 LEU 20 2HB LEU 20 -2.195 -2.392 -24.729 182 HB3 LEU 20 3HB LEU 20 -1.521 -3.313 -26.072 183 HG LEU 20 HG LEU 20 0.560 -3.591 -24.922 184 HD11 LEU 20 1HD1 LEU 20 1.167 -1.786 -23.719 185 HD12 LEU 20 2HD1 LEU 20 0.406 -2.673 -22.399 186 HD13 LEU 20 3HD1 LEU 20 -0.489 -1.410 -23.242 187 HD21 LEU 20 3HD2 LEU 20 -0.560 -5.332 -24.071 188 HD22 LEU 20 1HD2 LEU 20 -1.974 -4.353 -23.678 189 HD23 LEU 20 2HD2 LEU 20 -0.595 -4.392 -22.578 190 H ALA 21 H ALA 21 1.351 -1.964 -26.991 191 HA ALA 21 HA ALA 21 0.252 -2.403 -29.672 192 HB1 ALA 21 1HB ALA 21 1.126 -0.496 -30.414 193 HB2 ALA 21 2HB ALA 21 2.008 -0.230 -28.910 194 HB3 ALA 21 3HB ALA 21 2.711 -1.233 -30.179 195 H GLU 22 H GLU 22 1.140 -4.095 -30.736 196 HA GLU 22 HA GLU 22 2.514 -6.083 -29.421 197 HB2 GLU 22 2HB GLU 22 1.322 -6.416 -31.545 198 HB3 GLU 22 3HB GLU 22 2.563 -5.498 -32.387 199 HG2 GLU 22 2HG GLU 22 3.885 -7.532 -30.959 200 HG3 GLU 22 3HG GLU 22 2.497 -8.276 -31.750 201 H GLY 23 H GLY 23 4.517 -6.249 -28.673 202 HA2 GLY 23 2HA GLY 23 6.873 -6.239 -28.908 203 HA3 GLY 23 3HA GLY 23 6.717 -5.023 -30.168 204 H ASP 24 H ASP 24 4.707 -4.039 -27.786 205 HA ASP 24 HA ASP 24 6.613 -2.058 -26.862 206 HB2 ASP 24 2HB ASP 24 3.645 -2.393 -26.400 207 HB3 ASP 24 3HB ASP 24 4.599 -1.077 -25.721 208 H ILE 25 H ILE 25 7.208 -1.710 -24.726 209 HA ILE 25 HA ILE 25 6.916 -4.058 -22.991 210 HB ILE 25 HB ILE 25 8.882 -1.771 -22.816 211 HG12 ILE 25 2HG1 ILE 25 8.979 -3.628 -24.701 212 HG13 ILE 25 3HG1 ILE 25 10.441 -3.084 -23.886 213 HG21 ILE 25 1HG2 ILE 25 10.023 -3.402 -21.211 214 HG22 ILE 25 2HG2 ILE 25 8.602 -2.540 -20.625 215 HG23 ILE 25 3HG2 ILE 25 8.464 -4.222 -21.137 216 HD11 ILE 25 3HD1 ILE 25 10.536 -5.015 -22.552 217 HD12 ILE 25 1HD1 ILE 25 8.887 -5.480 -22.970 218 HD13 ILE 25 2HD1 ILE 25 10.165 -5.574 -24.183 219 H VAL 26 H VAL 26 6.019 -3.951 -20.995 220 HA VAL 26 HA VAL 26 5.275 -1.338 -19.905 221 HB VAL 26 HB VAL 26 3.008 -2.446 -19.283 222 HG11 VAL 26 1HG1 VAL 26 2.315 -1.860 -21.837 223 HG12 VAL 26 2HG1 VAL 26 2.604 -0.654 -20.582 224 HG13 VAL 26 3HG1 VAL 26 3.885 -1.065 -21.724 225 HG21 VAL 26 3HG2 VAL 26 3.762 -4.047 -21.728 226 HG22 VAL 26 1HG2 VAL 26 3.558 -4.680 -20.095 227 HG23 VAL 26 2HG2 VAL 26 2.173 -4.019 -20.964 228 H PHE 27 H PHE 27 4.639 -1.428 -17.641 229 HA PHE 27 HA PHE 27 5.815 -3.751 -16.260 230 HB2 PHE 27 2HB PHE 27 5.742 -0.862 -15.362 231 HB3 PHE 27 3HB PHE 27 6.399 -2.201 -14.426 232 HD1 PHE 27 HD2 PHE 27 8.224 -3.623 -15.722 233 HD2 PHE 27 HD1 PHE 27 7.197 0.416 -16.584 234 HE1 PHE 27 HE2 PHE 27 10.414 -3.300 -16.796 235 HE2 PHE 27 HE1 PHE 27 9.385 0.746 -17.661 236 HZ PHE 27 HZ PHE 27 10.997 -1.113 -17.767 237 H ILE 28 H ILE 28 4.218 -4.976 -15.498 238 HA ILE 28 HA ILE 28 1.628 -3.967 -14.861 239 HB ILE 28 HB ILE 28 2.691 -6.635 -13.966 240 HG12 ILE 28 2HG1 ILE 28 3.302 -6.451 -16.299 241 HG13 ILE 28 3HG1 ILE 28 1.908 -7.517 -16.164 242 HG21 ILE 28 1HG2 ILE 28 0.301 -7.276 -14.462 243 HG22 ILE 28 2HG2 ILE 28 0.537 -6.180 -13.102 244 HG23 ILE 28 3HG2 ILE 28 -0.031 -5.555 -14.649 245 HD11 ILE 28 3HD1 ILE 28 2.149 -4.850 -17.405 246 HD12 ILE 28 1HD1 ILE 28 1.213 -6.259 -17.904 247 HD13 ILE 28 2HD1 ILE 28 0.627 -5.228 -16.597 248 H SER 29 H SER 29 1.480 -2.585 -13.189 249 HA SER 29 HA SER 29 3.071 -2.674 -10.861 250 HB2 SER 29 2HB SER 29 0.575 -1.228 -11.659 251 HB3 SER 29 3HB SER 29 1.071 -1.207 -9.967 252 HG SER 29 HG SER 29 2.459 0.258 -10.508 253 H TYR 30 H TYR 30 -0.140 -3.936 -11.606 254 HA TYR 30 HA TYR 30 0.038 -6.010 -9.705 255 HB2 TYR 30 2HB TYR 30 -1.508 -5.317 -8.023 256 HB3 TYR 30 3HB TYR 30 -0.316 -4.031 -8.180 257 HD1 TYR 30 HD2 TYR 30 -3.802 -4.996 -8.819 258 HD2 TYR 30 HD1 TYR 30 -0.934 -1.860 -9.033 259 HE1 TYR 30 HE2 TYR 30 -5.612 -3.373 -9.189 260 HE2 TYR 30 HE1 TYR 30 -2.736 -0.228 -9.402 261 HH TYR 30 HH TYR 30 -5.437 -0.285 -8.721 262 H LYS 31 H LYS 31 -1.650 -7.488 -9.886 263 HA LYS 31 HA LYS 31 -3.199 -7.254 -12.306 264 HB2 LYS 31 2HB LYS 31 -2.287 -9.401 -11.909 265 HB3 LYS 31 3HB LYS 31 -2.857 -9.424 -10.245 266 HG2 LYS 31 2HG LYS 31 -5.096 -9.770 -10.916 267 HG3 LYS 31 3HG LYS 31 -4.721 -9.401 -12.601 268 HD2 LYS 31 2HD LYS 31 -3.521 -11.420 -12.876 269 HD3 LYS 31 3HD LYS 31 -3.477 -11.717 -11.136 270 HE2 LYS 31 2HE LYS 31 -6.154 -11.567 -11.589 271 HE3 LYS 31 3HE LYS 31 -5.588 -12.275 -13.102 272 HZ1 LYS 31 3HZ LYS 31 -4.861 -14.155 -12.059 273 HZ2 LYS 31 1HZ LYS 31 -6.176 -13.771 -11.065 274 HZ3 LYS 31 2HZ LYS 31 -4.604 -13.388 -10.573 275 H HIS 32 H HIS 32 -5.437 -7.230 -12.488 276 HA HIS 32 HA HIS 32 -6.979 -6.840 -10.022 277 HB2 HIS 32 2HB HIS 32 -6.285 -4.641 -11.188 278 HB3 HIS 32 3HB HIS 32 -7.454 -5.092 -12.425 279 HD1 HIS 32 HD1 HIS 32 -7.515 -4.878 -8.616 280 HD2 HIS 32 HD2 HIS 32 -9.829 -3.925 -11.933 281 HE1 HIS 32 HE1 HIS 32 -9.592 -3.795 -7.699 282 H GLY 33 H GLY 33 -9.228 -7.293 -10.209 283 HA2 GLY 33 2HA GLY 33 -9.858 -9.529 -11.758 284 HA3 GLY 33 3HA GLY 33 -11.032 -8.503 -10.947 285 H GLN 34 H GLN 34 -12.157 -9.344 -13.016 286 HA GLN 34 HA GLN 34 -13.190 -8.779 -14.962 287 HB2 GLN 34 2HB GLN 34 -11.741 -6.138 -14.783 288 HB3 GLN 34 3HB GLN 34 -13.225 -6.486 -15.660 289 HG2 GLN 34 2HG GLN 34 -12.869 -6.448 -12.673 290 HG3 GLN 34 3HG GLN 34 -13.724 -5.258 -13.653 291 HE21 GLN 34 1HE2 GLN 34 -13.987 -8.081 -11.858 292 HE22 GLN 34 2HE2 GLN 34 -15.593 -8.526 -12.312 293 H GLY 35 H GLY 35 -10.172 -9.592 -14.699 294 HA2 GLY 35 2HA GLY 35 -8.598 -10.326 -16.205 295 HA3 GLY 35 3HA GLY 35 -9.762 -9.992 -17.479 296 H TRP 36 H TRP 36 -8.703 -7.525 -15.249 297 HA TRP 36 HA TRP 36 -7.116 -6.310 -17.414 298 HB2 TRP 36 2HB TRP 36 -9.025 -4.985 -15.486 299 HB3 TRP 36 3HB TRP 36 -7.856 -4.088 -16.451 300 HD1 TRP 36 HD1 TRP 36 -11.278 -5.579 -16.613 301 HE1 TRP 36 HE1 TRP 36 -12.255 -5.278 -18.975 302 HE3 TRP 36 HE3 TRP 36 -7.047 -4.076 -19.057 303 HZ2 TRP 36 HZ2 TRP 36 -11.352 -4.505 -21.535 304 HZ3 TRP 36 HZ3 TRP 36 -7.188 -3.576 -21.462 305 HH2 TRP 36 HH2 TRP 36 -9.297 -3.787 -22.673 306 H LEU 37 H LEU 37 -5.140 -5.536 -16.895 307 HA LEU 37 HA LEU 37 -4.372 -5.592 -14.051 308 HB2 LEU 37 2HB LEU 37 -2.309 -6.022 -16.133 309 HB3 LEU 37 3HB LEU 37 -2.424 -6.679 -14.501 310 HG LEU 37 HG LEU 37 -3.953 -7.627 -16.924 311 HD11 LEU 37 1HD1 LEU 37 -2.321 -9.575 -15.577 312 HD12 LEU 37 2HD1 LEU 37 -1.352 -8.192 -16.083 313 HD13 LEU 37 3HD1 LEU 37 -2.311 -9.077 -17.269 314 HD21 LEU 37 3HD2 LEU 37 -4.379 -8.002 -14.064 315 HD22 LEU 37 1HD2 LEU 37 -4.220 -9.517 -14.954 316 HD23 LEU 37 2HD2 LEU 37 -5.448 -8.342 -15.426 317 H VAL 38 H VAL 38 -3.490 -3.789 -13.253 318 HA VAL 38 HA VAL 38 -3.262 -1.465 -14.931 319 HB VAL 38 HB VAL 38 -2.511 -1.750 -12.020 320 HG11 VAL 38 1HG1 VAL 38 -3.004 0.723 -12.032 321 HG12 VAL 38 2HG1 VAL 38 -1.550 0.231 -12.902 322 HG13 VAL 38 3HG1 VAL 38 -3.019 0.628 -13.793 323 HG21 VAL 38 3HG2 VAL 38 -4.860 -0.473 -11.944 324 HG22 VAL 38 1HG2 VAL 38 -5.124 -1.465 -13.378 325 HG23 VAL 38 2HG2 VAL 38 -4.722 -2.228 -11.839 326 H ALA 39 H ALA 39 -1.537 -1.173 -16.178 327 HA ALA 39 HA ALA 39 1.123 -1.601 -15.000 328 HB1 ALA 39 1HB ALA 39 0.979 -2.105 -17.882 329 HB2 ALA 39 2HB ALA 39 1.826 -2.990 -16.613 330 HB3 ALA 39 3HB ALA 39 0.109 -3.277 -16.892 331 H GLU 40 H GLU 40 2.853 -0.480 -16.320 332 HA GLU 40 HA GLU 40 1.809 2.070 -17.365 333 HB2 GLU 40 2HB GLU 40 3.627 3.233 -16.384 334 HB3 GLU 40 3HB GLU 40 2.995 2.173 -15.132 335 HG2 GLU 40 2HG GLU 40 4.940 0.655 -16.388 336 HG3 GLU 40 3HG GLU 40 5.628 2.276 -16.314 337 H ASN 41 H ASN 41 3.094 3.122 -18.998 338 HA ASN 41 HA ASN 41 4.032 1.303 -20.977 339 HB2 ASN 41 2HB ASN 41 4.116 3.125 -22.408 340 HB3 ASN 41 3HB ASN 41 2.922 3.664 -21.231 341 HD21 ASN 41 1HD2 ASN 41 4.468 4.417 -19.130 342 HD22 ASN 41 2HD2 ASN 41 5.469 5.752 -19.580 343 H GLU 42 H GLU 42 6.193 2.218 -22.171 344 HA GLU 42 HA GLU 42 8.320 1.363 -20.507 345 HB2 GLU 42 2HB GLU 42 8.047 1.328 -23.120 346 HB3 GLU 42 3HB GLU 42 8.807 2.910 -23.022 347 HG2 GLU 42 2HG GLU 42 10.050 0.553 -21.673 348 HG3 GLU 42 3HG GLU 42 10.267 0.815 -23.403 349 H SER 43 H SER 43 7.205 4.531 -21.575 350 HA SER 43 HA SER 43 9.363 6.081 -20.737 351 HB2 SER 43 2HB SER 43 7.137 6.699 -22.017 352 HB3 SER 43 3HB SER 43 6.579 7.124 -20.399 353 HG SER 43 HG SER 43 8.194 8.626 -20.242 354 H GLY 44 H GLY 44 6.977 4.416 -18.898 355 HA2 GLY 44 2HA GLY 44 6.731 4.137 -16.631 356 HA3 GLY 44 3HA GLY 44 8.305 4.897 -16.448 357 H SER 45 H SER 45 6.103 6.811 -18.167 358 HA SER 45 HA SER 45 5.646 8.449 -15.765 359 HB2 SER 45 2HB SER 45 6.778 9.895 -17.144 360 HB3 SER 45 3HB SER 45 6.202 9.112 -18.615 361 HG SER 45 HG SER 45 5.138 11.030 -18.503 362 H LYS 46 H LYS 46 4.124 6.570 -18.160 363 HA LYS 46 HA LYS 46 1.497 7.673 -17.403 364 HB2 LYS 46 2HB LYS 46 0.781 7.591 -19.545 365 HB3 LYS 46 3HB LYS 46 2.498 7.638 -19.922 366 HG2 LYS 46 2HG LYS 46 2.498 5.162 -20.004 367 HG3 LYS 46 3HG LYS 46 0.750 5.192 -19.764 368 HD2 LYS 46 2HD LYS 46 1.146 4.972 -22.105 369 HD3 LYS 46 3HD LYS 46 0.584 6.621 -21.818 370 HE2 LYS 46 2HE LYS 46 3.313 6.843 -21.561 371 HE3 LYS 46 3HE LYS 46 3.136 5.659 -22.856 372 HZ1 LYS 46 3HZ LYS 46 2.175 7.169 -24.233 373 HZ2 LYS 46 1HZ LYS 46 3.137 8.229 -23.331 374 HZ3 LYS 46 2HZ LYS 46 1.490 8.074 -22.979 375 H THR 47 H THR 47 0.004 6.307 -16.593 376 HA THR 47 HA THR 47 0.512 3.418 -16.740 377 HB THR 47 HB THR 47 -0.382 4.733 -14.178 378 HG1 THR 47 HG1 THR 47 1.910 4.167 -13.584 379 HG21 THR 47 3HG2 THR 47 0.141 2.623 -13.172 380 HG22 THR 47 1HG2 THR 47 0.869 2.030 -14.665 381 HG23 THR 47 2HG2 THR 47 -0.871 2.307 -14.581 382 H GLY 48 H GLY 48 -1.309 2.117 -16.746 383 HA2 GLY 48 2HA GLY 48 -3.926 3.145 -16.190 384 HA3 GLY 48 3HA GLY 48 -3.620 3.016 -17.916 385 H LEU 49 H LEU 49 -5.386 1.484 -17.933 386 HA LEU 49 HA LEU 49 -4.788 -1.116 -16.725 387 HB2 LEU 49 2HB LEU 49 -7.290 -0.209 -18.139 388 HB3 LEU 49 3HB LEU 49 -7.079 -1.702 -17.226 389 HG LEU 49 HG LEU 49 -6.695 0.897 -15.819 390 HD11 LEU 49 1HD1 LEU 49 -8.739 1.342 -16.957 391 HD12 LEU 49 2HD1 LEU 49 -9.142 0.888 -15.301 392 HD13 LEU 49 3HD1 LEU 49 -9.353 -0.275 -16.610 393 HD21 LEU 49 3HD2 LEU 49 -8.143 -1.506 -14.800 394 HD22 LEU 49 1HD2 LEU 49 -7.176 -0.319 -13.925 395 HD23 LEU 49 2HD2 LEU 49 -6.384 -1.537 -14.924 396 H VAL 50 H VAL 50 -4.281 -2.882 -17.895 397 HA VAL 50 HA VAL 50 -4.484 -2.726 -20.824 398 HB VAL 50 HB VAL 50 -2.292 -3.760 -21.081 399 HG11 VAL 50 1HG1 VAL 50 -1.014 -1.840 -20.781 400 HG12 VAL 50 2HG1 VAL 50 -2.664 -1.218 -20.859 401 HG13 VAL 50 3HG1 VAL 50 -1.858 -1.391 -19.299 402 HG21 VAL 50 3HG2 VAL 50 -2.361 -4.900 -18.829 403 HG22 VAL 50 1HG2 VAL 50 -0.813 -4.184 -19.277 404 HG23 VAL 50 2HG2 VAL 50 -1.866 -3.360 -18.127 405 HA PRO 51 HA PRO 51 -6.161 -6.779 -20.622 406 HB2 PRO 51 2HB PRO 51 -5.327 -7.802 -22.994 407 HB3 PRO 51 3HB PRO 51 -6.595 -6.578 -22.869 408 HG2 PRO 51 2HG PRO 51 -3.696 -6.240 -23.533 409 HG3 PRO 51 3HG PRO 51 -5.112 -5.481 -24.284 410 HD2 PRO 51 2HD PRO 51 -3.564 -4.201 -22.468 411 HD3 PRO 51 3HD PRO 51 -5.308 -3.903 -22.615 412 H GLU 52 H GLU 52 -5.628 -8.783 -19.900 413 HA GLU 52 HA GLU 52 -2.812 -9.304 -19.397 414 HB2 GLU 52 2HB GLU 52 -4.442 -9.579 -17.574 415 HB3 GLU 52 3HB GLU 52 -5.272 -10.818 -18.506 416 HG2 GLU 52 2HG GLU 52 -3.581 -12.363 -18.212 417 HG3 GLU 52 3HG GLU 52 -2.377 -11.127 -17.851 418 H GLU 53 H GLU 53 -5.401 -10.447 -21.409 419 HA GLU 53 HA GLU 53 -3.991 -12.860 -22.179 420 HB2 GLU 53 2HB GLU 53 -6.677 -12.000 -22.236 421 HB3 GLU 53 3HB GLU 53 -6.195 -12.219 -23.912 422 HG2 GLU 53 2HG GLU 53 -6.853 -14.331 -23.512 423 HG3 GLU 53 3HG GLU 53 -5.211 -14.481 -22.889 424 H PHE 54 H PHE 54 -3.293 -9.844 -22.798 425 HA PHE 54 HA PHE 54 -2.669 -10.318 -25.639 426 HB2 PHE 54 2HB PHE 54 -3.851 -8.006 -24.287 427 HB3 PHE 54 3HB PHE 54 -2.475 -7.587 -25.302 428 HD1 PHE 54 HD1 PHE 54 -4.888 -10.323 -25.903 429 HD2 PHE 54 HD2 PHE 54 -3.562 -6.441 -27.039 430 HE1 PHE 54 HE1 PHE 54 -6.334 -10.414 -27.891 431 HE2 PHE 54 HE2 PHE 54 -5.007 -6.526 -29.028 432 HZ PHE 54 HZ PHE 54 -6.396 -8.514 -29.456 433 H VAL 55 H VAL 55 -1.444 -9.830 -22.532 434 HA VAL 55 HA VAL 55 1.204 -9.107 -23.608 435 HB VAL 55 HB VAL 55 1.749 -8.329 -21.302 436 HG11 VAL 55 1HG1 VAL 55 -0.590 -6.686 -21.958 437 HG12 VAL 55 2HG1 VAL 55 1.116 -6.246 -21.854 438 HG13 VAL 55 3HG1 VAL 55 0.487 -7.005 -23.317 439 HG21 VAL 55 3HG2 VAL 55 -0.768 -9.548 -20.730 440 HG22 VAL 55 1HG2 VAL 55 0.404 -8.848 -19.613 441 HG23 VAL 55 2HG2 VAL 55 -0.853 -7.834 -20.320 442 H SER 56 H SER 56 3.046 -9.975 -22.284 443 HA SER 56 HA SER 56 2.455 -12.573 -21.061 444 HB2 SER 56 2HB SER 56 3.026 -13.003 -23.423 445 HB3 SER 56 3HB SER 56 4.552 -12.146 -23.204 446 HG SER 56 HG SER 56 3.869 -14.697 -22.514 447 H TYR 57 H TYR 57 3.327 -12.588 -19.109 448 HA TYR 57 HA TYR 57 5.046 -10.696 -18.062 449 HB2 TYR 57 2HB TYR 57 4.188 -13.420 -17.251 450 HB3 TYR 57 3HB TYR 57 5.617 -12.771 -16.454 451 HD1 TYR 57 HD2 TYR 57 2.574 -10.956 -17.592 452 HD2 TYR 57 HD1 TYR 57 4.879 -12.315 -14.284 453 HE1 TYR 57 HE2 TYR 57 1.134 -9.670 -16.069 454 HE2 TYR 57 HE1 TYR 57 3.445 -11.033 -12.751 455 HH TYR 57 HH TYR 57 0.811 -10.156 -12.996 456 H ILE 58 H ILE 58 7.192 -10.379 -18.035 457 HA ILE 58 HA ILE 58 8.851 -12.271 -19.546 458 HB ILE 58 HB ILE 58 9.520 -9.436 -18.753 459 HG12 ILE 58 2HG1 ILE 58 8.599 -10.460 -21.445 460 HG13 ILE 58 3HG1 ILE 58 7.557 -9.623 -20.300 461 HG21 ILE 58 1HG2 ILE 58 10.936 -11.580 -20.210 462 HG22 ILE 58 2HG2 ILE 58 11.062 -9.954 -20.878 463 HG23 ILE 58 3HG2 ILE 58 11.572 -10.267 -19.220 464 HD11 ILE 58 3HD1 ILE 58 9.584 -8.571 -22.127 465 HD12 ILE 58 1HD1 ILE 58 8.141 -7.807 -21.461 466 HD13 ILE 58 2HD1 ILE 58 9.621 -7.880 -20.505 467 H GLN 59 H GLN 59 10.828 -13.009 -18.747 468 HA GLN 59 HA GLN 59 11.346 -12.509 -15.896 469 HB2 GLN 59 2HB GLN 59 10.767 -15.062 -17.245 470 HB3 GLN 59 3HB GLN 59 12.170 -15.091 -16.185 471 HG2 GLN 59 2HG GLN 59 10.933 -14.932 -14.321 472 HG3 GLN 59 3HG GLN 59 9.779 -13.820 -15.054 473 HE21 GLN 59 1HE2 GLN 59 8.722 -15.127 -17.091 474 HE22 GLN 59 2HE2 GLN 59 7.942 -16.583 -16.582 475 HA PRO 60 HA PRO 60 15.569 -11.970 -16.944 476 HB2 PRO 60 2HB PRO 60 16.852 -13.139 -14.856 477 HB3 PRO 60 3HB PRO 60 15.982 -11.607 -14.713 478 HG2 PRO 60 2HG PRO 60 15.094 -14.366 -13.965 479 HG3 PRO 60 3HG PRO 60 14.893 -12.846 -13.075 480 HD2 PRO 60 2HD PRO 60 12.903 -13.949 -14.542 481 HD3 PRO 60 3HD PRO 60 13.085 -12.194 -14.346 482 H GLU 61 H GLU 61 15.015 -15.266 -15.688 483 HA GLU 61 HA GLU 61 16.217 -16.401 -18.065 484 HB2 GLU 61 2HB GLU 61 17.516 -16.527 -15.366 485 HB3 GLU 61 3HB GLU 61 17.703 -17.863 -16.493 486 HG2 GLU 61 2HG GLU 61 19.495 -16.715 -17.178 487 HG3 GLU 61 3HG GLU 61 18.315 -15.784 -18.098 488 H LEU 62 H LEU 62 13.632 -16.391 -16.591 489 HA LEU 62 HA LEU 62 13.387 -19.287 -16.108 490 HB2 LEU 62 2HB LEU 62 11.395 -17.282 -15.131 491 HB3 LEU 62 3HB LEU 62 11.727 -18.904 -14.529 492 HG LEU 62 HG LEU 62 13.505 -16.493 -14.160 493 HD11 LEU 62 1HD1 LEU 62 11.174 -17.321 -12.771 494 HD12 LEU 62 2HD1 LEU 62 12.270 -15.993 -12.393 495 HD13 LEU 62 3HD1 LEU 62 12.567 -17.598 -11.725 496 HD21 LEU 62 3HD2 LEU 62 14.616 -18.051 -12.499 497 HD22 LEU 62 1HD2 LEU 62 14.898 -18.395 -14.205 498 HD23 LEU 62 2HD2 LEU 62 13.741 -19.362 -13.291 499 H GLU 63 H GLU 63 11.040 -20.046 -16.499 500 HA GLU 63 HA GLU 63 9.955 -18.770 -18.916 501 HB2 GLU 63 2HB GLU 63 10.693 -21.648 -18.492 502 HB3 GLU 63 3HB GLU 63 9.413 -21.218 -19.618 503 HG2 GLU 63 2HG GLU 63 10.893 -20.008 -20.996 504 HG3 GLU 63 3HG GLU 63 12.164 -20.028 -19.775 505 H1 GLY -9 H GLY -9 -2.624 5.982 -8.274 506 HA2 GLY -9 2HA GLY -9 -4.209 6.046 -10.066 507 HA3 GLY -9 3HA GLY -9 -3.990 4.342 -9.695 508 H LYS -8 H LYS -8 -6.310 5.842 -10.791 509 HA LYS -8 HA LYS -8 -8.292 4.922 -8.819 510 HB2 LYS -8 2HB LYS -8 -8.141 7.529 -10.271 511 HB3 LYS -8 3HB LYS -8 -9.725 6.842 -9.935 512 HG2 LYS -8 2HG LYS -8 -8.805 6.632 -7.504 513 HG3 LYS -8 3HG LYS -8 -7.661 7.864 -8.042 514 HD2 LYS -8 2HD LYS -8 -9.387 9.406 -8.505 515 HD3 LYS -8 3HD LYS -8 -10.632 8.158 -8.410 516 HE2 LYS -8 2HE LYS -8 -9.827 7.889 -5.963 517 HE3 LYS -8 3HE LYS -8 -9.099 9.477 -6.200 518 HZ1 LYS -8 3HZ LYS -8 -11.150 10.474 -6.452 519 HZ2 LYS -8 1HZ LYS -8 -11.473 9.318 -5.260 520 HZ3 LYS -8 2HZ LYS -8 -11.936 9.033 -6.862 521 H PHE -7 H PHE -7 -7.069 3.756 -11.301 522 HA PHE -7 HA PHE -7 -8.932 3.782 -13.405 523 HB2 PHE -7 2HB PHE -7 -7.146 1.453 -12.703 524 HB3 PHE -7 3HB PHE -7 -7.747 1.911 -14.292 525 HD1 PHE -7 HD1 PHE -7 -7.196 4.800 -14.310 526 HD2 PHE -7 HD2 PHE -7 -4.839 1.548 -12.902 527 HE1 PHE -7 HE1 PHE -7 -5.154 6.115 -14.705 528 HE2 PHE -7 HE2 PHE -7 -2.793 2.857 -13.293 529 HZ PHE -7 HZ PHE -7 -2.948 5.144 -14.195 530 H ILE -6 H ILE -6 -10.668 2.504 -13.903 531 HA ILE -6 HA ILE -6 -11.416 0.296 -12.183 532 HB ILE -6 HB ILE -6 -13.740 1.280 -11.857 533 HG12 ILE -6 2HG1 ILE -6 -12.537 3.988 -11.938 534 HG13 ILE -6 3HG1 ILE -6 -12.904 3.255 -13.495 535 HG21 ILE -6 1HG2 ILE -6 -11.648 2.816 -10.357 536 HG22 ILE -6 2HG2 ILE -6 -13.172 2.152 -9.771 537 HG23 ILE -6 3HG2 ILE -6 -11.830 1.074 -10.151 538 HD11 ILE -6 3HD1 ILE -6 -14.910 4.189 -13.179 539 HD12 ILE -6 1HD1 ILE -6 -15.202 2.780 -12.159 540 HD13 ILE -6 2HD1 ILE -6 -14.696 4.306 -11.432 541 HA PRO -5 HA PRO -5 -12.568 -0.347 -16.584 542 HB2 PRO -5 2HB PRO -5 -11.930 -2.986 -16.578 543 HB3 PRO -5 3HB PRO -5 -10.739 -1.710 -16.857 544 HG2 PRO -5 2HG PRO -5 -11.333 -3.231 -14.349 545 HG3 PRO -5 3HG PRO -5 -9.763 -2.786 -15.042 546 HD2 PRO -5 2HD PRO -5 -10.894 -1.416 -12.999 547 HD3 PRO -5 3HD PRO -5 -9.867 -0.636 -14.219 548 H SER -4 H SER -4 -14.639 -0.681 -17.062 549 HA SER -4 HA SER -4 -16.158 -2.636 -15.462 550 HB2 SER -4 2HB SER -4 -16.926 -0.418 -14.885 551 HB3 SER -4 3HB SER -4 -17.089 0.015 -16.587 552 HG SER -4 HG SER -4 -18.581 -1.960 -15.195 553 H ARG -3 H ARG -3 -15.032 -3.793 -17.473 554 HA ARG -3 HA ARG -3 -17.132 -4.652 -19.141 555 HB2 ARG -3 2HB ARG -3 -16.555 -3.775 -21.260 556 HB3 ARG -3 3HB ARG -3 -16.573 -2.397 -20.168 557 HG2 ARG -3 2HG ARG -3 -14.102 -2.593 -19.977 558 HG3 ARG -3 3HG ARG -3 -14.156 -3.852 -21.212 559 HD2 ARG -3 2HD ARG -3 -14.890 -0.948 -21.478 560 HD3 ARG -3 3HD ARG -3 -13.629 -1.836 -22.334 561 HE ARG -3 HE ARG -3 -16.371 -1.640 -23.064 562 HH11 ARG -3 1HH1 ARG -3 -13.631 -3.788 -23.096 563 HH12 ARG -3 2HH1 ARG -3 -14.182 -4.680 -24.475 564 HH21 ARG -3 1HH2 ARG -3 -17.106 -2.807 -24.881 565 HH22 ARG -3 2HH2 ARG -3 -16.158 -4.121 -25.490 566 HA PRO -2 HA PRO -2 -14.423 -8.083 -19.538 567 HB2 PRO -2 2HB PRO -2 -15.300 -9.178 -21.863 568 HB3 PRO -2 3HB PRO -2 -16.222 -9.255 -20.357 569 HG2 PRO -2 2HG PRO -2 -16.543 -7.395 -22.681 570 HG3 PRO -2 3HG PRO -2 -17.789 -8.235 -21.740 571 HD2 PRO -2 2HD PRO -2 -17.169 -5.630 -21.339 572 HD3 PRO -2 3HD PRO -2 -17.711 -6.695 -20.026 573 H ALA -1 H ALA -1 -12.462 -8.594 -20.385 574 HA ALA -1 HA ALA -1 -11.224 -6.723 -22.164 575 HB1 ALA -1 1HB ALA -1 -9.920 -9.306 -21.461 576 HB2 ALA -1 2HB ALA -1 -9.230 -7.686 -21.577 577 HB3 ALA -1 3HB ALA -1 -10.217 -8.127 -20.183 578 HA PRO 0 HA PRO 0 -11.805 -8.687 -26.047 579 HB2 PRO 0 2HB PRO 0 -9.469 -8.090 -27.294 580 HB3 PRO 0 3HB PRO 0 -10.727 -6.888 -26.984 581 HG2 PRO 0 2HG PRO 0 -8.211 -7.435 -25.457 582 HG3 PRO 0 3HG PRO 0 -8.927 -5.878 -25.913 583 HD2 PRO 0 2HD PRO 0 -9.185 -6.930 -23.431 584 HD3 PRO 0 3HD PRO 0 -10.444 -5.926 -24.178 585 H LYS 1 H LYS 1 -10.431 -10.070 -27.704 586 HA LYS 1 HA LYS 1 -8.922 -12.101 -26.198 587 HB2 LYS 1 2HB LYS 1 -9.968 -13.821 -27.679 588 HB3 LYS 1 3HB LYS 1 -11.099 -13.034 -26.585 589 HG2 LYS 1 2HG LYS 1 -12.343 -12.917 -28.462 590 HG3 LYS 1 3HG LYS 1 -11.400 -11.445 -28.709 591 HD2 LYS 1 2HD LYS 1 -11.356 -12.656 -30.757 592 HD3 LYS 1 3HD LYS 1 -9.763 -12.836 -30.016 593 HE2 LYS 1 2HE LYS 1 -10.129 -15.013 -30.537 594 HE3 LYS 1 3HE LYS 1 -10.948 -14.987 -28.976 595 HZ1 LYS 1 3HZ LYS 1 -12.833 -14.179 -30.807 596 HZ2 LYS 1 1HZ LYS 1 -12.744 -15.687 -30.043 597 HZ3 LYS 1 2HZ LYS 1 -12.028 -15.463 -31.559 598 HA PRO 2 HA PRO 2 -5.817 -11.721 -29.283 599 HB2 PRO 2 2HB PRO 2 -4.750 -14.216 -29.220 600 HB3 PRO 2 3HB PRO 2 -4.500 -13.031 -27.932 601 HG2 PRO 2 2HG PRO 2 -6.425 -15.320 -28.051 602 HG3 PRO 2 3HG PRO 2 -5.410 -14.781 -26.701 603 HD2 PRO 2 2HD PRO 2 -8.045 -14.178 -26.875 604 HD3 PRO 2 3HD PRO 2 -6.863 -13.088 -26.120 605 HA PRO 3 HA PRO 3 -7.201 -13.248 -33.168 606 HB2 PRO 3 2HB PRO 3 -4.866 -13.609 -34.504 607 HB3 PRO 3 3HB PRO 3 -5.526 -12.011 -34.139 608 HG2 PRO 3 2HG PRO 3 -3.387 -13.548 -32.716 609 HG3 PRO 3 3HG PRO 3 -3.437 -11.826 -33.136 610 HD2 PRO 3 2HD PRO 3 -4.008 -12.736 -30.650 611 HD3 PRO 3 3HD PRO 3 -4.785 -11.298 -31.343 612 H SER 4 H SER 4 -6.847 -15.053 -34.800 613 HA SER 4 HA SER 4 -6.381 -17.554 -33.328 614 HB2 SER 4 2HB SER 4 -8.636 -17.313 -34.245 615 HB3 SER 4 3HB SER 4 -7.971 -17.046 -35.856 616 HG SER 4 HG SER 4 -7.223 -19.370 -34.504 617 H SER 5 H SER 5 -4.131 -17.624 -33.600 618 HA SER 5 HA SER 5 -3.064 -17.676 -36.310 619 HB2 SER 5 2HB SER 5 -1.460 -18.168 -33.812 620 HB3 SER 5 3HB SER 5 -0.926 -17.495 -35.352 621 HG SER 5 HG SER 5 -1.931 -16.228 -33.187 622 H ALA 6 H ALA 6 -4.210 -19.625 -36.919 623 HA ALA 6 HA ALA 6 -3.727 -22.106 -35.608 624 HB1 ALA 6 1HB ALA 6 -4.433 -22.462 -38.364 625 HB2 ALA 6 2HB ALA 6 -5.388 -22.783 -36.916 626 HB3 ALA 6 3HB ALA 6 -5.412 -21.180 -37.651 Start of MODEL 6 1 H1 MET -4 H MET -4 -2.485 -2.339 -2.421 2 HA MET -4 HA MET -4 -1.195 0.093 -3.036 3 HB2 MET -4 2HB MET -4 -0.733 0.213 -0.603 4 HB3 MET -4 3HB MET -4 -2.412 -0.166 -0.962 5 HG2 MET -4 2HG MET -4 -2.051 -1.689 0.667 6 HG3 MET -4 3HG MET -4 -1.520 -2.643 -0.716 7 HE1 MET -4 3HE MET -4 1.024 -0.806 2.596 8 HE2 MET -4 1HE MET -4 0.564 0.306 1.306 9 HE3 MET -4 2HE MET -4 -0.681 -0.516 2.248 10 H ALA -3 H ALA -3 -0.015 -3.128 -2.491 11 HA ALA -3 HA ALA -3 2.741 -2.238 -2.203 12 HB1 ALA -3 1HB ALA -3 1.304 -4.503 -1.370 13 HB2 ALA -3 2HB ALA -3 2.501 -5.074 -2.534 14 HB3 ALA -3 3HB ALA -3 3.015 -4.154 -1.119 15 H ILE -2 H ILE -2 3.657 -1.560 -4.044 16 HA ILE -2 HA ILE -2 2.979 -2.686 -6.603 17 HB ILE -2 HB ILE -2 5.157 -0.726 -5.869 18 HG12 ILE -2 2HG1 ILE -2 2.539 -0.113 -7.228 19 HG13 ILE -2 3HG1 ILE -2 2.695 -0.094 -5.475 20 HG21 ILE -2 1HG2 ILE -2 5.634 -1.886 -7.957 21 HG22 ILE -2 2HG2 ILE -2 4.031 -1.475 -8.564 22 HG23 ILE -2 3HG2 ILE -2 5.212 -0.201 -8.259 23 HD11 ILE -2 3HD1 ILE -2 3.172 2.067 -5.792 24 HD12 ILE -2 1HD1 ILE -2 4.783 1.466 -6.185 25 HD13 ILE -2 2HD1 ILE -2 3.636 1.825 -7.477 26 H VAL -1 H VAL -1 3.755 -4.569 -7.268 27 HA VAL -1 HA VAL -1 6.067 -5.789 -6.113 28 HB VAL -1 HB VAL -1 4.205 -7.158 -6.893 29 HG11 VAL -1 1HG1 VAL -1 3.264 -7.007 -8.918 30 HG12 VAL -1 2HG1 VAL -1 4.141 -5.482 -9.058 31 HG13 VAL -1 3HG1 VAL -1 4.823 -6.959 -9.740 32 HG21 VAL -1 3HG2 VAL -1 6.568 -8.019 -6.874 33 HG22 VAL -1 1HG2 VAL -1 5.463 -8.881 -7.945 34 HG23 VAL -1 2HG2 VAL -1 6.614 -7.723 -8.612 35 H ASN 1 H ASN 1 5.437 -3.871 -8.948 36 HA ASN 1 HA ASN 1 6.805 -2.953 -10.516 37 HB2 ASN 1 2HB ASN 1 8.197 -2.678 -8.271 38 HB3 ASN 1 3HB ASN 1 9.267 -3.826 -9.071 39 HD21 ASN 1 1HD2 ASN 1 7.547 -0.785 -9.643 40 HD22 ASN 1 2HD2 ASN 1 8.779 -0.072 -10.623 41 H GLN 2 H GLN 2 5.881 -5.268 -11.322 42 HA GLN 2 HA GLN 2 8.183 -6.824 -12.289 43 HB2 GLN 2 2HB GLN 2 6.392 -8.009 -10.965 44 HB3 GLN 2 3HB GLN 2 5.285 -7.670 -12.289 45 HG2 GLN 2 2HG GLN 2 6.173 -9.931 -12.418 46 HG3 GLN 2 3HG GLN 2 6.665 -8.963 -13.806 47 HE21 GLN 2 1HE2 GLN 2 8.444 -10.209 -14.274 48 HE22 GLN 2 2HE2 GLN 2 9.853 -10.246 -13.276 49 H ARG 3 H ARG 3 8.703 -6.740 -14.374 50 HA ARG 3 HA ARG 3 7.187 -5.089 -16.168 51 HB2 ARG 3 2HB ARG 3 8.983 -5.350 -17.692 52 HB3 ARG 3 3HB ARG 3 9.715 -5.264 -16.095 53 HG2 ARG 3 2HG ARG 3 9.374 -7.943 -16.376 54 HG3 ARG 3 3HG ARG 3 9.687 -7.449 -18.042 55 HD2 ARG 3 2HD ARG 3 11.823 -7.820 -17.273 56 HD3 ARG 3 3HD ARG 3 11.641 -6.093 -16.968 57 HE ARG 3 HE ARG 3 10.809 -7.371 -14.669 58 HH11 ARG 3 1HH1 ARG 3 13.728 -7.163 -16.554 59 HH12 ARG 3 2HH1 ARG 3 14.778 -7.397 -15.195 60 HH21 ARG 3 1HH2 ARG 3 12.180 -7.680 -12.872 61 HH22 ARG 3 2HH2 ARG 3 13.896 -7.691 -13.101 62 H ALA 4 H ALA 4 6.613 -5.838 -18.377 63 HA ALA 4 HA ALA 4 6.108 -8.649 -18.759 64 HB1 ALA 4 1HB ALA 4 4.093 -8.674 -17.809 65 HB2 ALA 4 2HB ALA 4 4.040 -6.915 -17.684 66 HB3 ALA 4 3HB ALA 4 3.551 -7.708 -19.181 67 H VAL 5 H VAL 5 5.339 -9.145 -20.887 68 HA VAL 5 HA VAL 5 5.892 -6.984 -22.804 69 HB VAL 5 HB VAL 5 7.323 -9.023 -22.929 70 HG11 VAL 5 1HG1 VAL 5 5.021 -10.411 -22.517 71 HG12 VAL 5 2HG1 VAL 5 5.240 -10.602 -24.258 72 HG13 VAL 5 3HG1 VAL 5 6.514 -11.106 -23.147 73 HG21 VAL 5 3HG2 VAL 5 7.226 -9.228 -25.338 74 HG22 VAL 5 1HG2 VAL 5 5.586 -8.580 -25.355 75 HG23 VAL 5 2HG2 VAL 5 6.935 -7.552 -24.875 76 H ALA 6 H ALA 6 4.556 -6.697 -24.625 77 HA ALA 6 HA ALA 6 1.772 -7.381 -24.133 78 HB1 ALA 6 1HB ALA 6 1.851 -5.170 -24.707 79 HB2 ALA 6 2HB ALA 6 3.191 -5.394 -25.832 80 HB3 ALA 6 3HB ALA 6 1.562 -5.888 -26.292 81 H LEU 7 H LEU 7 1.150 -9.326 -24.835 82 HA LEU 7 HA LEU 7 2.368 -10.673 -27.031 83 HB2 LEU 7 2HB LEU 7 -0.303 -11.343 -25.832 84 HB3 LEU 7 3HB LEU 7 0.844 -12.426 -26.619 85 HG LEU 7 HG LEU 7 1.271 -11.097 -23.943 86 HD11 LEU 7 1HD1 LEU 7 -0.488 -13.090 -24.419 87 HD12 LEU 7 2HD1 LEU 7 0.402 -12.894 -22.909 88 HD13 LEU 7 3HD1 LEU 7 0.986 -14.017 -24.137 89 HD21 LEU 7 3HD2 LEU 7 2.868 -13.425 -24.500 90 HD22 LEU 7 1HD2 LEU 7 3.376 -11.798 -24.045 91 HD23 LEU 7 2HD2 LEU 7 3.109 -12.196 -25.742 92 H TYR 8 H TYR 8 -0.620 -8.850 -26.596 93 HA TYR 8 HA TYR 8 -0.859 -8.663 -29.508 94 HB2 TYR 8 2HB TYR 8 -3.336 -9.095 -27.871 95 HB3 TYR 8 3HB TYR 8 -3.092 -9.334 -29.597 96 HD1 TYR 8 HD2 TYR 8 -1.564 -11.271 -30.313 97 HD2 TYR 8 HD1 TYR 8 -3.184 -10.900 -26.396 98 HE1 TYR 8 HE2 TYR 8 -1.171 -13.668 -29.930 99 HE2 TYR 8 HE1 TYR 8 -2.794 -13.297 -26.002 100 HH TYR 8 HH TYR 8 -2.205 -15.244 -26.932 101 H ASP 9 H ASP 9 -2.026 -6.827 -30.246 102 HA ASP 9 HA ASP 9 -1.714 -4.536 -28.555 103 HB2 ASP 9 2HB ASP 9 -2.217 -3.242 -30.452 104 HB3 ASP 9 3HB ASP 9 -1.401 -4.660 -31.105 105 H PHE 10 H PHE 10 -3.230 -3.360 -27.500 106 HA PHE 10 HA PHE 10 -6.053 -4.057 -27.841 107 HB2 PHE 10 2HB PHE 10 -5.630 -5.409 -25.989 108 HB3 PHE 10 3HB PHE 10 -4.458 -4.284 -25.311 109 HD1 PHE 10 HD1 PHE 10 -8.043 -4.954 -25.794 110 HD2 PHE 10 HD2 PHE 10 -5.131 -2.519 -23.869 111 HE1 PHE 10 HE1 PHE 10 -9.790 -4.027 -24.331 112 HE2 PHE 10 HE2 PHE 10 -6.873 -1.589 -22.402 113 HZ PHE 10 HZ PHE 10 -9.206 -2.343 -22.631 114 H GLU 11 H GLU 11 -7.497 -2.409 -27.360 115 HA GLU 11 HA GLU 11 -6.260 0.218 -26.858 116 HB2 GLU 11 2HB GLU 11 -7.836 -0.632 -29.018 117 HB3 GLU 11 3HB GLU 11 -8.890 0.381 -28.042 118 HG2 GLU 11 2HG GLU 11 -7.594 2.262 -28.349 119 HG3 GLU 11 3HG GLU 11 -6.150 1.330 -28.740 120 HA PRO 12 HA PRO 12 -8.672 0.528 -23.188 121 HB2 PRO 12 2HB PRO 12 -8.683 3.229 -22.916 122 HB3 PRO 12 3HB PRO 12 -7.258 2.236 -22.587 123 HG2 PRO 12 2HG PRO 12 -7.932 3.830 -25.029 124 HG3 PRO 12 3HG PRO 12 -6.382 3.685 -24.180 125 HD2 PRO 12 2HD PRO 12 -6.936 2.310 -26.445 126 HD3 PRO 12 3HD PRO 12 -5.886 1.663 -25.168 127 H GLU 13 H GLU 13 -10.798 0.524 -22.777 128 HA GLU 13 HA GLU 13 -12.597 1.688 -24.767 129 HB2 GLU 13 2HB GLU 13 -12.791 -0.515 -22.783 130 HB3 GLU 13 3HB GLU 13 -14.270 0.362 -23.149 131 HG2 GLU 13 2HG GLU 13 -13.466 -0.078 -25.636 132 HG3 GLU 13 3HG GLU 13 -12.653 -1.435 -24.859 133 H ASN 14 H ASN 14 -11.398 2.273 -21.637 134 HA ASN 14 HA ASN 14 -13.581 4.179 -21.105 135 HB2 ASN 14 2HB ASN 14 -11.877 2.535 -19.255 136 HB3 ASN 14 3HB ASN 14 -12.639 4.018 -18.687 137 HD21 ASN 14 1HD2 ASN 14 -12.990 0.761 -18.942 138 HD22 ASN 14 2HD2 ASN 14 -14.708 0.645 -18.798 139 H ASP 15 H ASP 15 -12.722 5.984 -19.538 140 HA ASP 15 HA ASP 15 -10.527 7.261 -20.953 141 HB2 ASP 15 2HB ASP 15 -12.461 8.268 -18.860 142 HB3 ASP 15 3HB ASP 15 -11.169 9.249 -19.545 143 H ASN 16 H ASN 16 -10.400 5.035 -18.772 144 HA ASN 16 HA ASN 16 -8.157 6.267 -17.334 145 HB2 ASN 16 2HB ASN 16 -8.984 4.667 -15.388 146 HB3 ASN 16 3HB ASN 16 -9.626 6.297 -15.565 147 HD21 ASN 16 1HD2 ASN 16 -10.318 2.968 -15.562 148 HD22 ASN 16 2HD2 ASN 16 -12.006 3.079 -15.917 149 H GLU 17 H GLU 17 -8.573 4.333 -19.634 150 HA GLU 17 HA GLU 17 -7.153 2.008 -18.525 151 HB2 GLU 17 2HB GLU 17 -8.900 2.383 -20.933 152 HB3 GLU 17 3HB GLU 17 -7.731 1.071 -20.892 153 HG2 GLU 17 2HG GLU 17 -8.843 0.557 -18.582 154 HG3 GLU 17 3HG GLU 17 -10.185 1.476 -19.261 155 H LEU 18 H LEU 18 -5.441 1.065 -19.890 156 HA LEU 18 HA LEU 18 -3.899 3.186 -21.230 157 HB2 LEU 18 2HB LEU 18 -3.185 1.613 -19.094 158 HB3 LEU 18 3HB LEU 18 -2.439 0.780 -20.456 159 HG LEU 18 HG LEU 18 -1.947 3.609 -19.542 160 HD11 LEU 18 1HD1 LEU 18 -0.084 2.842 -18.585 161 HD12 LEU 18 2HD1 LEU 18 0.302 1.806 -19.958 162 HD13 LEU 18 3HD1 LEU 18 -0.820 1.245 -18.719 163 HD21 LEU 18 3HD2 LEU 18 -1.851 3.851 -21.845 164 HD22 LEU 18 1HD2 LEU 18 -1.245 2.213 -22.095 165 HD23 LEU 18 2HD2 LEU 18 -0.183 3.455 -21.431 166 H ARG 19 H ARG 19 -2.951 2.799 -23.207 167 HA ARG 19 HA ARG 19 -4.183 0.744 -24.803 168 HB2 ARG 19 2HB ARG 19 -1.940 2.456 -25.799 169 HB3 ARG 19 3HB ARG 19 -3.360 1.872 -26.655 170 HG2 ARG 19 2HG ARG 19 -4.736 3.424 -25.253 171 HG3 ARG 19 3HG ARG 19 -3.225 4.098 -24.639 172 HD2 ARG 19 2HD ARG 19 -3.687 3.903 -27.586 173 HD3 ARG 19 3HD ARG 19 -4.424 5.214 -26.666 174 HE ARG 19 HE ARG 19 -1.661 5.015 -26.080 175 HH11 ARG 19 1HH1 ARG 19 -3.877 6.074 -28.547 176 HH12 ARG 19 2HH1 ARG 19 -2.796 7.267 -29.189 177 HH21 ARG 19 1HH2 ARG 19 -0.229 6.581 -26.916 178 HH22 ARG 19 2HH2 ARG 19 -0.721 7.554 -28.261 179 H LEU 20 H LEU 20 -2.994 -0.779 -26.115 180 HA LEU 20 HA LEU 20 -0.298 -1.434 -25.201 181 HB2 LEU 20 2HB LEU 20 -2.494 -2.753 -24.186 182 HB3 LEU 20 3HB LEU 20 -1.963 -3.806 -25.496 183 HG LEU 20 HG LEU 20 0.188 -4.092 -24.484 184 HD11 LEU 20 1HD1 LEU 20 -0.636 -1.738 -22.918 185 HD12 LEU 20 2HD1 LEU 20 0.961 -2.232 -23.478 186 HD13 LEU 20 3HD1 LEU 20 0.263 -2.974 -22.038 187 HD21 LEU 20 3HD2 LEU 20 -2.274 -4.680 -23.057 188 HD22 LEU 20 1HD2 LEU 20 -0.871 -4.610 -21.990 189 HD23 LEU 20 2HD2 LEU 20 -0.874 -5.706 -23.372 190 H ALA 21 H ALA 21 0.919 -2.654 -26.673 191 HA ALA 21 HA ALA 21 -0.328 -3.306 -29.239 192 HB1 ALA 21 1HB ALA 21 0.492 -1.437 -30.149 193 HB2 ALA 21 2HB ALA 21 1.558 -1.129 -28.777 194 HB3 ALA 21 3HB ALA 21 2.062 -2.237 -30.053 195 H GLU 22 H GLU 22 0.494 -5.094 -30.200 196 HA GLU 22 HA GLU 22 1.923 -6.971 -28.777 197 HB2 GLU 22 2HB GLU 22 0.604 -7.477 -30.794 198 HB3 GLU 22 3HB GLU 22 1.814 -6.672 -31.784 199 HG2 GLU 22 2HG GLU 22 3.184 -8.581 -30.242 200 HG3 GLU 22 3HG GLU 22 1.738 -9.373 -30.864 201 H GLY 23 H GLY 23 3.962 -7.075 -28.123 202 HA2 GLY 23 2HA GLY 23 6.302 -7.127 -28.512 203 HA3 GLY 23 3HA GLY 23 6.078 -6.013 -29.852 204 H ASP 24 H ASP 24 4.210 -4.700 -27.590 205 HA ASP 24 HA ASP 24 6.190 -2.721 -26.893 206 HB2 ASP 24 2HB ASP 24 3.250 -2.971 -26.235 207 HB3 ASP 24 3HB ASP 24 4.254 -1.614 -25.734 208 H ILE 25 H ILE 25 6.897 -2.186 -24.828 209 HA ILE 25 HA ILE 25 6.698 -4.374 -22.884 210 HB ILE 25 HB ILE 25 8.666 -2.085 -23.007 211 HG12 ILE 25 2HG1 ILE 25 8.671 -4.087 -24.734 212 HG13 ILE 25 3HG1 ILE 25 10.173 -3.490 -24.037 213 HG21 ILE 25 1HG2 ILE 25 8.332 -4.379 -21.104 214 HG22 ILE 25 2HG2 ILE 25 9.892 -3.591 -21.337 215 HG23 ILE 25 3HG2 ILE 25 8.514 -2.662 -20.748 216 HD11 ILE 25 3HD1 ILE 25 8.668 -5.777 -22.821 217 HD12 ILE 25 1HD1 ILE 25 9.829 -6.006 -24.129 218 HD13 ILE 25 2HD1 ILE 25 10.355 -5.316 -22.593 219 H VAL 26 H VAL 26 5.964 -4.079 -20.828 220 HA VAL 26 HA VAL 26 5.252 -1.385 -19.943 221 HB VAL 26 HB VAL 26 3.029 -2.428 -19.098 222 HG11 VAL 26 1HG1 VAL 26 2.784 -0.666 -20.563 223 HG12 VAL 26 2HG1 VAL 26 3.677 -1.474 -21.853 224 HG13 VAL 26 3HG1 VAL 26 2.031 -1.979 -21.467 225 HG21 VAL 26 3HG2 VAL 26 3.652 -4.250 -21.421 226 HG22 VAL 26 1HG2 VAL 26 3.537 -4.728 -19.728 227 HG23 VAL 26 2HG2 VAL 26 2.106 -4.146 -20.580 228 H PHE 27 H PHE 27 4.774 -1.262 -17.650 229 HA PHE 27 HA PHE 27 6.021 -3.462 -16.138 230 HB2 PHE 27 2HB PHE 27 6.024 -0.498 -15.534 231 HB3 PHE 27 3HB PHE 27 6.693 -1.739 -14.480 232 HD1 PHE 27 HD2 PHE 27 8.353 -3.401 -15.843 233 HD2 PHE 27 HD1 PHE 27 7.539 0.671 -16.779 234 HE1 PHE 27 HE2 PHE 27 10.503 -3.247 -17.028 235 HE2 PHE 27 HE1 PHE 27 9.688 0.830 -17.967 236 HZ PHE 27 HZ PHE 27 11.174 -1.130 -18.092 237 H ILE 28 H ILE 28 4.462 -4.602 -15.187 238 HA ILE 28 HA ILE 28 1.926 -3.506 -14.474 239 HB ILE 28 HB ILE 28 3.021 -6.115 -13.450 240 HG12 ILE 28 2HG1 ILE 28 3.458 -6.084 -15.840 241 HG13 ILE 28 3HG1 ILE 28 2.105 -7.159 -15.505 242 HG21 ILE 28 1HG2 ILE 28 0.273 -5.027 -13.996 243 HG22 ILE 28 2HG2 ILE 28 0.584 -6.745 -13.750 244 HG23 ILE 28 3HG2 ILE 28 0.944 -5.592 -12.466 245 HD11 ILE 28 3HD1 ILE 28 2.186 -4.609 -16.982 246 HD12 ILE 28 1HD1 ILE 28 1.222 -6.058 -17.262 247 HD13 ILE 28 2HD1 ILE 28 0.752 -4.915 -16.003 248 H SER 29 H SER 29 1.898 -1.998 -12.909 249 HA SER 29 HA SER 29 3.634 -1.923 -10.689 250 HB2 SER 29 2HB SER 29 1.102 -0.519 -11.442 251 HB3 SER 29 3HB SER 29 1.689 -0.380 -9.785 252 HG SER 29 HG SER 29 2.789 0.588 -12.156 253 H TYR 30 H TYR 30 0.387 -3.228 -11.130 254 HA TYR 30 HA TYR 30 0.681 -5.143 -9.085 255 HB2 TYR 30 2HB TYR 30 -0.757 -4.312 -7.369 256 HB3 TYR 30 3HB TYR 30 0.425 -3.050 -7.700 257 HD1 TYR 30 HD1 TYR 30 -3.094 -4.050 -8.096 258 HD2 TYR 30 HD2 TYR 30 -0.243 -0.938 -8.631 259 HE1 TYR 30 HE1 TYR 30 -4.922 -2.450 -8.478 260 HE2 TYR 30 HE2 TYR 30 -2.063 0.671 -9.013 261 HH TYR 30 HH TYR 30 -5.454 -0.367 -9.062 262 H LYS 31 H LYS 31 -1.006 -6.628 -9.053 263 HA LYS 31 HA LYS 31 -2.734 -6.540 -11.367 264 HB2 LYS 31 2HB LYS 31 -1.756 -8.653 -10.960 265 HB3 LYS 31 3HB LYS 31 -2.173 -8.607 -9.251 266 HG2 LYS 31 2HG LYS 31 -4.451 -9.028 -9.694 267 HG3 LYS 31 3HG LYS 31 -4.249 -8.715 -11.419 268 HD2 LYS 31 2HD LYS 31 -3.036 -10.719 -11.738 269 HD3 LYS 31 3HD LYS 31 -2.820 -10.952 -10.002 270 HE2 LYS 31 2HE LYS 31 -5.548 -10.844 -10.256 271 HE3 LYS 31 3HE LYS 31 -5.061 -11.672 -11.734 272 HZ1 LYS 31 3HZ LYS 31 -3.576 -12.837 -9.747 273 HZ2 LYS 31 1HZ LYS 31 -4.934 -13.499 -10.508 274 HZ3 LYS 31 2HZ LYS 31 -5.109 -12.644 -9.059 275 H HIS 32 H HIS 32 -4.977 -6.548 -11.367 276 HA HIS 32 HA HIS 32 -6.314 -6.055 -8.800 277 HB2 HIS 32 2HB HIS 32 -5.781 -3.922 -10.160 278 HB3 HIS 32 3HB HIS 32 -7.045 -4.475 -11.253 279 HD1 HIS 32 HD1 HIS 32 -6.860 -4.203 -7.453 280 HD2 HIS 32 HD2 HIS 32 -9.302 -3.139 -10.642 281 HE1 HIS 32 HE1 HIS 32 -8.848 -3.058 -6.424 282 H GLY 33 H GLY 33 -8.567 -6.551 -8.768 283 HA2 GLY 33 2HA GLY 33 -9.266 -8.900 -10.112 284 HA3 GLY 33 3HA GLY 33 -10.391 -7.849 -9.265 285 H GLN 34 H GLN 34 -11.672 -8.838 -11.169 286 HA GLN 34 HA GLN 34 -12.885 -8.418 -13.047 287 HB2 GLN 34 2HB GLN 34 -11.488 -5.745 -13.156 288 HB3 GLN 34 3HB GLN 34 -13.029 -6.174 -13.885 289 HG2 GLN 34 2HG GLN 34 -12.520 -6.138 -10.922 290 HG3 GLN 34 3HG GLN 34 -13.203 -4.789 -11.829 291 HE21 GLN 34 1HE2 GLN 34 -13.949 -7.370 -9.958 292 HE22 GLN 34 2HE2 GLN 34 -15.576 -7.645 -10.469 293 H GLY 35 H GLY 35 -9.839 -9.160 -13.003 294 HA2 GLY 35 2HA GLY 35 -8.389 -9.965 -14.596 295 HA3 GLY 35 3HA GLY 35 -9.665 -9.725 -15.780 296 H TRP 36 H TRP 36 -8.479 -7.106 -13.806 297 HA TRP 36 HA TRP 36 -7.101 -6.006 -16.168 298 HB2 TRP 36 2HB TRP 36 -8.868 -4.590 -14.169 299 HB3 TRP 36 3HB TRP 36 -7.805 -3.741 -15.288 300 HD1 TRP 36 HD1 TRP 36 -11.192 -5.308 -15.058 301 HE1 TRP 36 HE1 TRP 36 -12.377 -5.172 -17.339 302 HE3 TRP 36 HE3 TRP 36 -7.229 -3.865 -17.946 303 HZ2 TRP 36 HZ2 TRP 36 -11.719 -4.537 -20.009 304 HZ3 TRP 36 HZ3 TRP 36 -7.591 -3.515 -20.355 305 HH2 TRP 36 HH2 TRP 36 -9.790 -3.845 -21.363 306 H LEU 37 H LEU 37 -5.100 -5.190 -15.867 307 HA LEU 37 HA LEU 37 -4.106 -5.013 -13.099 308 HB2 LEU 37 2HB LEU 37 -2.164 -5.606 -15.235 309 HB3 LEU 37 3HB LEU 37 -2.246 -6.202 -13.578 310 HG LEU 37 HG LEU 37 -3.900 -7.202 -15.896 311 HD11 LEU 37 1HD1 LEU 37 -2.271 -8.641 -16.336 312 HD12 LEU 37 2HD1 LEU 37 -2.187 -9.136 -14.646 313 HD13 LEU 37 3HD1 LEU 37 -1.242 -7.757 -15.208 314 HD21 LEU 37 3HD2 LEU 37 -5.281 -7.901 -14.288 315 HD22 LEU 37 1HD2 LEU 37 -4.129 -7.512 -13.010 316 HD23 LEU 37 2HD2 LEU 37 -4.012 -9.051 -13.863 317 H VAL 38 H VAL 38 -2.989 -3.221 -12.549 318 HA VAL 38 HA VAL 38 -2.950 -1.033 -14.444 319 HB VAL 38 HB VAL 38 -1.991 -1.055 -11.580 320 HG11 VAL 38 1HG1 VAL 38 -2.655 1.445 -11.910 321 HG12 VAL 38 2HG1 VAL 38 -1.094 0.864 -12.495 322 HG13 VAL 38 3HG1 VAL 38 -2.435 1.080 -13.621 323 HG21 VAL 38 3HG2 VAL 38 -4.323 0.248 -11.453 324 HG22 VAL 38 1HG2 VAL 38 -4.695 -0.870 -12.765 325 HG23 VAL 38 2HG2 VAL 38 -4.184 -1.491 -11.196 326 H ALA 39 H ALA 39 -1.305 -0.762 -15.789 327 HA ALA 39 HA ALA 39 1.424 -1.157 -14.783 328 HB1 ALA 39 1HB ALA 39 2.018 -2.675 -16.324 329 HB2 ALA 39 2HB ALA 39 0.285 -2.987 -16.436 330 HB3 ALA 39 3HB ALA 39 1.063 -1.908 -17.594 331 H GLU 40 H GLU 40 3.060 -0.181 -16.334 332 HA GLU 40 HA GLU 40 1.950 2.235 -17.603 333 HB2 GLU 40 2HB GLU 40 3.703 3.572 -16.739 334 HB3 GLU 40 3HB GLU 40 3.098 2.636 -15.380 335 HG2 GLU 40 2HG GLU 40 5.102 1.047 -16.389 336 HG3 GLU 40 3HG GLU 40 5.736 2.679 -16.591 337 H ASN 41 H ASN 41 3.197 3.116 -19.348 338 HA ASN 41 HA ASN 41 4.207 1.135 -21.103 339 HB2 ASN 41 2HB ASN 41 4.343 2.818 -22.700 340 HB3 ASN 41 3HB ASN 41 3.100 3.444 -21.620 341 HD21 ASN 41 1HD2 ASN 41 4.597 4.383 -19.537 342 HD22 ASN 41 2HD2 ASN 41 5.581 5.697 -20.074 343 H GLU 42 H GLU 42 6.391 1.980 -22.346 344 HA GLU 42 HA GLU 42 8.488 1.272 -20.569 345 HB2 GLU 42 2HB GLU 42 8.247 1.008 -23.183 346 HB3 GLU 42 3HB GLU 42 9.045 2.574 -23.200 347 HG2 GLU 42 2HG GLU 42 10.724 1.360 -21.579 348 HG3 GLU 42 3HG GLU 42 10.088 -0.080 -22.373 349 H SER 43 H SER 43 7.371 4.319 -21.933 350 HA SER 43 HA SER 43 9.514 5.955 -21.237 351 HB2 SER 43 2HB SER 43 7.302 6.448 -22.576 352 HB3 SER 43 3HB SER 43 6.710 6.984 -21.003 353 HG SER 43 HG SER 43 7.684 8.777 -21.504 354 H GLY 44 H GLY 44 7.140 4.445 -19.253 355 HA2 GLY 44 2HA GLY 44 6.914 4.359 -16.968 356 HA3 GLY 44 3HA GLY 44 8.468 5.174 -16.858 357 H SER 45 H SER 45 6.228 6.870 -18.744 358 HA SER 45 HA SER 45 5.713 8.700 -16.495 359 HB2 SER 45 2HB SER 45 6.167 10.444 -17.855 360 HB3 SER 45 3HB SER 45 6.909 9.246 -18.914 361 HG SER 45 HG SER 45 4.963 9.107 -20.047 362 H LYS 46 H LYS 46 4.264 6.685 -18.871 363 HA LYS 46 HA LYS 46 1.606 7.778 -18.226 364 HB2 LYS 46 2HB LYS 46 1.494 7.902 -20.481 365 HB3 LYS 46 3HB LYS 46 2.803 6.750 -20.708 366 HG2 LYS 46 2HG LYS 46 1.368 4.912 -20.579 367 HG3 LYS 46 3HG LYS 46 0.073 5.863 -19.847 368 HD2 LYS 46 2HD LYS 46 1.053 6.586 -22.572 369 HD3 LYS 46 3HD LYS 46 -0.023 5.200 -22.383 370 HE2 LYS 46 2HE LYS 46 -0.786 7.721 -21.020 371 HE3 LYS 46 3HE LYS 46 -0.924 7.677 -22.777 372 HZ1 LYS 46 3HZ LYS 46 -2.198 5.782 -20.878 373 HZ2 LYS 46 1HZ LYS 46 -2.299 5.686 -22.564 374 HZ3 LYS 46 2HZ LYS 46 -2.984 7.000 -21.749 375 H THR 47 H THR 47 0.334 6.577 -16.986 376 HA THR 47 HA THR 47 0.738 3.661 -16.945 377 HB THR 47 HB THR 47 0.039 5.268 -14.487 378 HG1 THR 47 HG1 THR 47 2.109 5.852 -14.810 379 HG21 THR 47 3HG2 THR 47 0.984 2.426 -14.878 380 HG22 THR 47 1HG2 THR 47 -0.644 2.931 -14.427 381 HG23 THR 47 2HG2 THR 47 0.702 3.202 -13.320 382 H GLY 48 H GLY 48 -1.097 2.400 -16.717 383 HA2 GLY 48 2HA GLY 48 -3.664 3.529 -16.120 384 HA3 GLY 48 3HA GLY 48 -3.460 3.218 -17.838 385 H LEU 49 H LEU 49 -5.241 1.724 -17.606 386 HA LEU 49 HA LEU 49 -4.608 -0.749 -16.168 387 HB2 LEU 49 2HB LEU 49 -7.171 0.123 -17.493 388 HB3 LEU 49 3HB LEU 49 -6.947 -1.346 -16.545 389 HG LEU 49 HG LEU 49 -6.471 1.338 -15.305 390 HD11 LEU 49 1HD1 LEU 49 -9.129 -0.011 -15.729 391 HD12 LEU 49 2HD1 LEU 49 -8.645 1.605 -16.241 392 HD13 LEU 49 3HD1 LEU 49 -8.844 1.247 -14.526 393 HD21 LEU 49 3HD2 LEU 49 -7.692 -1.020 -13.960 394 HD22 LEU 49 1HD2 LEU 49 -6.625 0.226 -13.312 395 HD23 LEU 49 2HD2 LEU 49 -5.967 -1.056 -14.329 396 H VAL 50 H VAL 50 -4.181 -2.629 -17.178 397 HA VAL 50 HA VAL 50 -4.574 -2.780 -20.087 398 HB VAL 50 HB VAL 50 -2.412 -3.733 -20.453 399 HG11 VAL 50 1HG1 VAL 50 -1.398 -1.748 -20.531 400 HG12 VAL 50 2HG1 VAL 50 -2.812 -1.108 -19.692 401 HG13 VAL 50 3HG1 VAL 50 -1.387 -1.597 -18.775 402 HG21 VAL 50 3HG2 VAL 50 -1.993 -3.531 -17.472 403 HG22 VAL 50 1HG2 VAL 50 -2.209 -5.016 -18.398 404 HG23 VAL 50 2HG2 VAL 50 -0.773 -4.022 -18.647 405 HA PRO 51 HA PRO 51 -6.225 -6.780 -19.340 406 HB2 PRO 51 2HB PRO 51 -5.558 -8.051 -21.645 407 HB3 PRO 51 3HB PRO 51 -6.818 -6.814 -21.560 408 HG2 PRO 51 2HG PRO 51 -3.974 -6.562 -22.459 409 HG3 PRO 51 3HG PRO 51 -5.441 -5.879 -23.184 410 HD2 PRO 51 2HD PRO 51 -3.772 -4.423 -21.626 411 HD3 PRO 51 3HD PRO 51 -5.523 -4.134 -21.680 412 H GLU 52 H GLU 52 -5.665 -8.806 -18.605 413 HA GLU 52 HA GLU 52 -2.813 -9.245 -18.173 414 HB2 GLU 52 2HB GLU 52 -4.341 -9.377 -16.246 415 HB3 GLU 52 3HB GLU 52 -5.209 -10.691 -17.028 416 HG2 GLU 52 2HG GLU 52 -3.496 -12.201 -16.699 417 HG3 GLU 52 3HG GLU 52 -2.280 -10.937 -16.516 418 H GLU 53 H GLU 53 -5.510 -10.568 -19.924 419 HA GLU 53 HA GLU 53 -4.101 -13.016 -20.592 420 HB2 GLU 53 2HB GLU 53 -6.832 -12.092 -20.671 421 HB3 GLU 53 3HB GLU 53 -6.371 -12.754 -22.233 422 HG2 GLU 53 2HG GLU 53 -6.278 -14.135 -19.566 423 HG3 GLU 53 3HG GLU 53 -7.330 -14.501 -20.932 424 H PHE 54 H PHE 54 -3.492 -10.068 -21.494 425 HA PHE 54 HA PHE 54 -3.084 -10.755 -24.331 426 HB2 PHE 54 2HB PHE 54 -4.240 -8.377 -23.093 427 HB3 PHE 54 3HB PHE 54 -2.929 -7.993 -24.203 428 HD1 PHE 54 HD2 PHE 54 -5.322 -10.805 -24.468 429 HD2 PHE 54 HD1 PHE 54 -4.099 -7.019 -25.980 430 HE1 PHE 54 HE2 PHE 54 -6.861 -11.071 -26.369 431 HE2 PHE 54 HE1 PHE 54 -5.636 -7.278 -27.883 432 HZ PHE 54 HZ PHE 54 -7.019 -9.307 -28.081 433 H VAL 55 H VAL 55 -1.622 -10.112 -21.390 434 HA VAL 55 HA VAL 55 0.917 -9.405 -22.714 435 HB VAL 55 HB VAL 55 1.612 -8.436 -20.510 436 HG11 VAL 55 1HG1 VAL 55 0.949 -6.402 -21.200 437 HG12 VAL 55 2HG1 VAL 55 0.275 -7.285 -22.571 438 HG13 VAL 55 3HG1 VAL 55 -0.757 -6.847 -21.209 439 HG21 VAL 55 3HG2 VAL 55 -0.283 -7.776 -18.986 440 HG22 VAL 55 1HG2 VAL 55 -1.293 -8.914 -19.878 441 HG23 VAL 55 2HG2 VAL 55 0.118 -9.493 -18.993 442 H SER 56 H SER 56 2.865 -10.130 -21.453 443 HA SER 56 HA SER 56 2.399 -12.631 -19.991 444 HB2 SER 56 2HB SER 56 2.860 -13.319 -22.272 445 HB3 SER 56 3HB SER 56 4.290 -12.289 -22.330 446 HG SER 56 HG SER 56 5.113 -14.219 -21.821 447 H TYR 57 H TYR 57 3.403 -12.541 -18.105 448 HA TYR 57 HA TYR 57 5.152 -10.512 -17.326 449 HB2 TYR 57 2HB TYR 57 4.305 -13.124 -16.180 450 HB3 TYR 57 3HB TYR 57 5.743 -12.371 -15.499 451 HD1 TYR 57 HD1 TYR 57 2.622 -10.781 -16.770 452 HD2 TYR 57 HD2 TYR 57 5.083 -11.608 -13.399 453 HE1 TYR 57 HE1 TYR 57 1.200 -9.331 -15.384 454 HE2 TYR 57 HE2 TYR 57 3.667 -10.161 -12.003 455 HH TYR 57 HH TYR 57 0.688 -9.249 -12.730 456 H ILE 58 H ILE 58 7.278 -10.210 -17.521 457 HA ILE 58 HA ILE 58 8.847 -12.284 -18.861 458 HB ILE 58 HB ILE 58 9.657 -9.433 -18.297 459 HG12 ILE 58 2HG1 ILE 58 8.501 -10.575 -20.848 460 HG13 ILE 58 3HG1 ILE 58 7.598 -9.591 -19.701 461 HG21 ILE 58 1HG2 ILE 58 10.914 -11.734 -19.613 462 HG22 ILE 58 2HG2 ILE 58 10.992 -10.226 -20.523 463 HG23 ILE 58 3HG2 ILE 58 11.643 -10.302 -18.886 464 HD11 ILE 58 3HD1 ILE 58 9.614 -7.928 -20.120 465 HD12 ILE 58 1HD1 ILE 58 9.686 -8.810 -21.646 466 HD13 ILE 58 2HD1 ILE 58 8.202 -7.982 -21.174 467 H GLN 59 H GLN 59 10.883 -12.955 -18.095 468 HA GLN 59 HA GLN 59 11.463 -12.310 -15.286 469 HB2 GLN 59 2HB GLN 59 10.861 -14.926 -16.490 470 HB3 GLN 59 3HB GLN 59 12.304 -14.902 -15.484 471 HG2 GLN 59 2HG GLN 59 11.138 -14.662 -13.583 472 HG3 GLN 59 3HG GLN 59 9.951 -13.588 -14.321 473 HE21 GLN 59 1HE2 GLN 59 9.845 -16.099 -12.601 474 HE22 GLN 59 2HE2 GLN 59 8.697 -17.102 -13.412 475 HA PRO 60 HA PRO 60 15.657 -11.793 -16.458 476 HB2 PRO 60 2HB PRO 60 16.997 -12.848 -14.346 477 HB3 PRO 60 3HB PRO 60 16.118 -11.317 -14.257 478 HG2 PRO 60 2HG PRO 60 15.271 -14.043 -13.355 479 HG3 PRO 60 3HG PRO 60 15.077 -12.482 -12.535 480 HD2 PRO 60 2HD PRO 60 13.063 -13.671 -13.900 481 HD3 PRO 60 3HD PRO 60 13.235 -11.907 -13.795 482 H GLU 61 H GLU 61 15.169 -15.026 -15.022 483 HA GLU 61 HA GLU 61 16.332 -16.264 -17.370 484 HB2 GLU 61 2HB GLU 61 17.604 -16.509 -14.641 485 HB3 GLU 61 3HB GLU 61 17.955 -17.586 -15.985 486 HG2 GLU 61 2HG GLU 61 18.729 -15.645 -17.295 487 HG3 GLU 61 3HG GLU 61 18.456 -14.620 -15.887 488 H LEU 62 H LEU 62 13.772 -16.195 -15.842 489 HA LEU 62 HA LEU 62 13.545 -19.072 -15.247 490 HB2 LEU 62 2HB LEU 62 11.564 -17.052 -14.287 491 HB3 LEU 62 3HB LEU 62 11.948 -18.640 -13.626 492 HG LEU 62 HG LEU 62 13.615 -16.138 -13.387 493 HD11 LEU 62 1HD1 LEU 62 12.044 -17.737 -11.373 494 HD12 LEU 62 2HD1 LEU 62 11.691 -16.103 -11.936 495 HD13 LEU 62 3HD1 LEU 62 13.141 -16.412 -10.981 496 HD21 LEU 62 3HD2 LEU 62 14.552 -18.120 -11.652 497 HD22 LEU 62 1HD2 LEU 62 15.362 -17.473 -13.080 498 HD23 LEU 62 2HD2 LEU 62 14.352 -18.913 -13.216 499 H GLU 63 H GLU 63 12.640 -20.116 -16.889 500 HA GLU 63 HA GLU 63 11.436 -20.488 -18.811 501 HB2 GLU 63 2HB GLU 63 9.093 -20.546 -18.422 502 HB3 GLU 63 3HB GLU 63 9.861 -20.876 -16.876 503 HG2 GLU 63 2HG GLU 63 9.435 -18.643 -16.118 504 HG3 GLU 63 3HG GLU 63 8.831 -18.175 -17.706 505 H1 GLY -9 H GLY -9 -1.285 6.089 -9.842 506 HA2 GLY -9 2HA GLY -9 -2.875 7.716 -9.491 507 HA3 GLY -9 3HA GLY -9 -3.464 7.214 -11.069 508 H LYS -8 H LYS -8 -5.626 7.324 -10.770 509 HA LYS -8 HA LYS -8 -6.756 5.571 -8.690 510 HB2 LYS -8 2HB LYS -8 -7.027 8.036 -8.219 511 HB3 LYS -8 3HB LYS -8 -8.023 8.133 -9.665 512 HG2 LYS -8 2HG LYS -8 -9.729 6.858 -8.727 513 HG3 LYS -8 3HG LYS -8 -8.675 6.202 -7.472 514 HD2 LYS -8 2HD LYS -8 -9.978 7.770 -6.337 515 HD3 LYS -8 3HD LYS -8 -8.474 8.635 -6.661 516 HE2 LYS -8 2HE LYS -8 -9.435 9.953 -8.301 517 HE3 LYS -8 3HE LYS -8 -10.735 8.803 -8.607 518 HZ1 LYS -8 3HZ LYS -8 -10.468 10.434 -6.140 519 HZ2 LYS -8 1HZ LYS -8 -11.752 9.403 -6.529 520 HZ3 LYS -8 2HZ LYS -8 -11.489 10.806 -7.436 521 H PHE -7 H PHE -7 -6.502 4.115 -10.670 522 HA PHE -7 HA PHE -7 -8.509 4.497 -12.728 523 HB2 PHE -7 2HB PHE -7 -6.761 2.069 -12.329 524 HB3 PHE -7 3HB PHE -7 -7.553 2.600 -13.809 525 HD1 PHE -7 HD2 PHE -7 -6.868 5.424 -13.933 526 HD2 PHE -7 HD1 PHE -7 -4.495 2.092 -12.757 527 HE1 PHE -7 HE2 PHE -7 -4.834 6.648 -14.582 528 HE2 PHE -7 HE1 PHE -7 -2.458 3.311 -13.402 529 HZ PHE -7 HZ PHE -7 -2.626 5.591 -14.317 530 H ILE -6 H ILE -6 -10.108 2.857 -13.227 531 HA ILE -6 HA ILE -6 -10.783 0.856 -11.296 532 HB ILE -6 HB ILE -6 -11.661 2.696 -10.036 533 HG12 ILE -6 2HG1 ILE -6 -14.021 2.088 -9.905 534 HG13 ILE -6 3HG1 ILE -6 -13.943 1.356 -11.504 535 HG21 ILE -6 1HG2 ILE -6 -12.236 3.773 -12.616 536 HG22 ILE -6 2HG2 ILE -6 -13.713 3.755 -11.653 537 HG23 ILE -6 3HG2 ILE -6 -12.274 4.574 -11.045 538 HD11 ILE -6 3HD1 ILE -6 -11.975 0.266 -9.666 539 HD12 ILE -6 1HD1 ILE -6 -13.636 0.054 -9.113 540 HD13 ILE -6 2HD1 ILE -6 -13.148 -0.555 -10.695 541 HA PRO -5 HA PRO -5 -12.261 -0.051 -15.538 542 HB2 PRO -5 2HB PRO -5 -11.709 -2.704 -15.381 543 HB3 PRO -5 3HB PRO -5 -10.496 -1.495 -15.819 544 HG2 PRO -5 2HG PRO -5 -10.985 -2.815 -13.177 545 HG3 PRO -5 3HG PRO -5 -9.447 -2.477 -13.991 546 HD2 PRO -5 2HD PRO -5 -10.407 -0.928 -11.989 547 HD3 PRO -5 3HD PRO -5 -9.432 -0.272 -13.320 548 H SER -4 H SER -4 -14.200 -0.914 -16.174 549 HA SER -4 HA SER -4 -15.721 -2.545 -14.287 550 HB2 SER -4 2HB SER -4 -16.445 -0.328 -13.695 551 HB3 SER -4 3HB SER -4 -16.664 0.110 -15.389 552 HG SER -4 HG SER -4 -18.562 -0.783 -15.349 553 H ARG -3 H ARG -3 -14.936 -3.958 -16.147 554 HA ARG -3 HA ARG -3 -17.107 -4.683 -17.747 555 HB2 ARG -3 2HB ARG -3 -16.140 -4.118 -19.999 556 HB3 ARG -3 3HB ARG -3 -16.737 -2.741 -19.082 557 HG2 ARG -3 2HG ARG -3 -14.602 -1.945 -18.642 558 HG3 ARG -3 3HG ARG -3 -13.847 -3.505 -18.977 559 HD2 ARG -3 2HD ARG -3 -13.368 -2.657 -20.989 560 HD3 ARG -3 3HD ARG -3 -15.075 -2.903 -21.356 561 HE ARG -3 HE ARG -3 -13.743 -0.387 -20.846 562 HH11 ARG -3 1HH1 ARG -3 -16.772 -2.089 -21.058 563 HH12 ARG -3 2HH1 ARG -3 -17.708 -0.657 -21.333 564 HH21 ARG -3 1HH2 ARG -3 -14.963 1.506 -21.207 565 HH22 ARG -3 2HH2 ARG -3 -16.677 1.387 -21.419 566 HA PRO -2 HA PRO -2 -14.703 -8.342 -18.053 567 HB2 PRO -2 2HB PRO -2 -15.721 -9.460 -20.307 568 HB3 PRO -2 3HB PRO -2 -16.611 -9.394 -18.781 569 HG2 PRO -2 2HG PRO -2 -16.831 -7.618 -21.181 570 HG3 PRO -2 3HG PRO -2 -18.120 -8.308 -20.178 571 HD2 PRO -2 2HD PRO -2 -17.277 -5.749 -19.909 572 HD3 PRO -2 3HD PRO -2 -17.875 -6.707 -18.539 573 H ALA -1 H ALA -1 -12.612 -8.372 -18.571 574 HA ALA -1 HA ALA -1 -11.385 -6.916 -20.593 575 HB1 ALA -1 1HB ALA -1 -9.401 -8.158 -20.127 576 HB2 ALA -1 2HB ALA -1 -10.262 -7.931 -18.605 577 HB3 ALA -1 3HB ALA -1 -10.329 -9.487 -19.432 578 HA PRO 0 HA PRO 0 -12.072 -9.127 -24.327 579 HB2 PRO 0 2HB PRO 0 -9.776 -8.572 -25.665 580 HB3 PRO 0 3HB PRO 0 -11.048 -7.373 -25.401 581 HG2 PRO 0 2HG PRO 0 -8.488 -7.781 -23.904 582 HG3 PRO 0 3HG PRO 0 -9.242 -6.268 -24.439 583 HD2 PRO 0 2HD PRO 0 -9.425 -7.164 -21.891 584 HD3 PRO 0 3HD PRO 0 -10.718 -6.230 -22.670 585 H LYS 1 H LYS 1 -11.016 -10.749 -25.815 586 HA LYS 1 HA LYS 1 -9.286 -12.577 -24.281 587 HB2 LYS 1 2HB LYS 1 -10.427 -14.447 -25.416 588 HB3 LYS 1 3HB LYS 1 -11.533 -13.492 -24.437 589 HG2 LYS 1 2HG LYS 1 -12.786 -13.740 -26.318 590 HG3 LYS 1 3HG LYS 1 -11.942 -12.243 -26.718 591 HD2 LYS 1 2HD LYS 1 -10.569 -13.270 -28.254 592 HD3 LYS 1 3HD LYS 1 -10.705 -14.849 -27.477 593 HE2 LYS 1 2HE LYS 1 -11.952 -15.108 -29.419 594 HE3 LYS 1 3HE LYS 1 -13.177 -14.744 -28.205 595 HZ1 LYS 1 3HZ LYS 1 -12.105 -12.982 -30.320 596 HZ2 LYS 1 1HZ LYS 1 -12.885 -12.343 -28.961 597 HZ3 LYS 1 2HZ LYS 1 -13.715 -13.390 -29.998 598 HA PRO 2 HA PRO 2 -6.441 -12.525 -27.625 599 HB2 PRO 2 2HB PRO 2 -5.415 -15.033 -27.464 600 HB3 PRO 2 3HB PRO 2 -5.041 -13.766 -26.290 601 HG2 PRO 2 2HG PRO 2 -7.009 -16.012 -26.090 602 HG3 PRO 2 3HG PRO 2 -5.880 -15.402 -24.867 603 HD2 PRO 2 2HD PRO 2 -8.509 -14.753 -24.876 604 HD3 PRO 2 3HD PRO 2 -7.252 -13.640 -24.298 605 HA PRO 3 HA PRO 3 -8.163 -14.292 -31.266 606 HB2 PRO 3 2HB PRO 3 -5.950 -14.790 -32.758 607 HB3 PRO 3 3HB PRO 3 -6.557 -13.158 -32.454 608 HG2 PRO 3 2HG PRO 3 -4.329 -14.632 -31.103 609 HG3 PRO 3 3HG PRO 3 -4.389 -12.943 -31.639 610 HD2 PRO 3 2HD PRO 3 -4.767 -13.667 -29.058 611 HD3 PRO 3 3HD PRO 3 -5.579 -12.266 -29.785 612 H SER 4 H SER 4 -7.497 -16.197 -32.943 613 HA SER 4 HA SER 4 -6.780 -18.591 -31.410 614 HB2 SER 4 2HB SER 4 -8.693 -19.825 -32.230 615 HB3 SER 4 3HB SER 4 -9.271 -18.359 -31.439 616 HG SER 4 HG SER 4 -9.255 -19.040 -34.151 617 H SER 5 H SER 5 -6.014 -20.339 -32.665 618 HA SER 5 HA SER 5 -4.855 -21.315 -34.362 619 HB2 SER 5 2HB SER 5 -6.158 -19.496 -36.361 620 HB3 SER 5 3HB SER 5 -5.737 -21.202 -36.515 621 HG SER 5 HG SER 5 -8.008 -20.028 -35.498 622 H ALA 6 H ALA 6 -3.869 -18.895 -33.032 623 HA ALA 6 HA ALA 6 -1.928 -18.076 -35.085 624 HB1 ALA 6 1HB ALA 6 -3.770 -16.391 -33.609 625 HB2 ALA 6 2HB ALA 6 -2.090 -15.898 -33.390 626 HB3 ALA 6 3HB ALA 6 -2.771 -16.016 -35.013 Start of MODEL 7 1 H1 MET -4 H MET -4 3.614 -5.431 0.506 2 HA MET -4 HA MET -4 3.533 -2.934 -1.054 3 HB2 MET -4 2HB MET -4 5.194 -5.405 -1.267 4 HB3 MET -4 3HB MET -4 4.802 -4.534 -2.744 5 HG2 MET -4 2HG MET -4 5.882 -2.996 -0.445 6 HG3 MET -4 3HG MET -4 6.982 -4.019 -1.367 7 HE1 MET -4 3HE MET -4 8.168 -0.902 -2.954 8 HE2 MET -4 1HE MET -4 8.375 -2.151 -1.726 9 HE3 MET -4 2HE MET -4 8.402 -2.583 -3.435 10 H ALA -3 H ALA -3 1.540 -2.760 -1.887 11 HA ALA -3 HA ALA -3 -0.051 -5.014 -2.633 12 HB1 ALA -3 1HB ALA -3 -1.706 -3.431 -3.300 13 HB2 ALA -3 2HB ALA -3 -0.958 -2.830 -1.819 14 HB3 ALA -3 3HB ALA -3 -0.515 -2.133 -3.377 15 H ILE -2 H ILE -2 2.252 -3.005 -4.247 16 HA ILE -2 HA ILE -2 1.384 -3.869 -6.893 17 HB ILE -2 HB ILE -2 3.677 -2.072 -6.096 18 HG12 ILE -2 2HG1 ILE -2 1.084 -1.276 -7.413 19 HG13 ILE -2 3HG1 ILE -2 1.285 -1.278 -5.664 20 HG21 ILE -2 1HG2 ILE -2 2.874 -1.650 -8.767 21 HG22 ILE -2 2HG2 ILE -2 4.409 -2.287 -8.178 22 HG23 ILE -2 3HG2 ILE -2 3.084 -3.388 -8.556 23 HD11 ILE -2 3HD1 ILE -2 2.120 0.670 -7.614 24 HD12 ILE -2 1HD1 ILE -2 2.022 0.799 -5.858 25 HD13 ILE -2 2HD1 ILE -2 3.471 0.137 -6.614 26 H VAL -1 H VAL -1 2.028 -5.795 -7.581 27 HA VAL -1 HA VAL -1 4.156 -7.271 -6.462 28 HB VAL -1 HB VAL -1 2.275 -8.359 -7.588 29 HG11 VAL -1 1HG1 VAL -1 3.444 -7.495 -10.217 30 HG12 VAL -1 2HG1 VAL -1 1.880 -8.250 -9.901 31 HG13 VAL -1 3HG1 VAL -1 2.169 -6.580 -9.412 32 HG21 VAL -1 3HG2 VAL -1 3.531 -10.139 -8.125 33 HG22 VAL -1 1HG2 VAL -1 4.432 -9.251 -9.354 34 HG23 VAL -1 2HG2 VAL -1 4.895 -9.124 -7.658 35 H ASN 1 H ASN 1 3.967 -5.043 -9.142 36 HA ASN 1 HA ASN 1 5.557 -4.091 -10.459 37 HB2 ASN 1 2HB ASN 1 6.690 -4.072 -8.073 38 HB3 ASN 1 3HB ASN 1 7.764 -5.257 -8.812 39 HD21 ASN 1 1HD2 ASN 1 6.351 -2.067 -9.422 40 HD22 ASN 1 2HD2 ASN 1 7.754 -1.399 -10.177 41 H GLN 2 H GLN 2 4.628 -6.162 -11.668 42 HA GLN 2 HA GLN 2 6.935 -7.790 -12.507 43 HB2 GLN 2 2HB GLN 2 4.985 -9.001 -11.455 44 HB3 GLN 2 3HB GLN 2 4.022 -8.507 -12.841 45 HG2 GLN 2 2HG GLN 2 4.791 -10.759 -13.155 46 HG3 GLN 2 3HG GLN 2 5.581 -9.699 -14.321 47 HE21 GLN 2 1HE2 GLN 2 7.345 -10.986 -14.653 48 HE22 GLN 2 2HE2 GLN 2 8.547 -11.280 -13.448 49 H ARG 3 H ARG 3 7.680 -7.450 -14.488 50 HA ARG 3 HA ARG 3 6.371 -5.624 -16.261 51 HB2 ARG 3 2HB ARG 3 8.296 -5.802 -17.630 52 HB3 ARG 3 3HB ARG 3 8.876 -5.893 -15.972 53 HG2 ARG 3 2HG ARG 3 8.528 -8.512 -16.500 54 HG3 ARG 3 3HG ARG 3 8.926 -7.909 -18.110 55 HD2 ARG 3 2HD ARG 3 11.030 -8.320 -17.328 56 HD3 ARG 3 3HD ARG 3 10.833 -6.656 -16.780 57 HE ARG 3 HE ARG 3 9.918 -8.402 -14.777 58 HH11 ARG 3 1HH1 ARG 3 12.873 -7.384 -16.312 59 HH12 ARG 3 2HH1 ARG 3 13.855 -7.688 -14.917 60 HH21 ARG 3 1HH2 ARG 3 11.201 -8.807 -12.935 61 HH22 ARG 3 2HH2 ARG 3 12.903 -8.499 -12.998 62 H ALA 4 H ALA 4 5.960 -6.137 -18.561 63 HA ALA 4 HA ALA 4 5.423 -8.889 -19.248 64 HB1 ALA 4 1HB ALA 4 3.372 -7.375 -18.043 65 HB2 ALA 4 2HB ALA 4 2.966 -7.528 -19.752 66 HB3 ALA 4 3HB ALA 4 3.257 -8.972 -18.782 67 H VAL 5 H VAL 5 4.882 -9.176 -21.475 68 HA VAL 5 HA VAL 5 5.688 -6.883 -23.130 69 HB VAL 5 HB VAL 5 7.072 -8.947 -23.289 70 HG11 VAL 5 1HG1 VAL 5 5.238 -10.414 -24.978 71 HG12 VAL 5 2HG1 VAL 5 6.193 -10.969 -23.601 72 HG13 VAL 5 3HG1 VAL 5 4.610 -10.235 -23.340 73 HG21 VAL 5 3HG2 VAL 5 7.160 -8.991 -25.731 74 HG22 VAL 5 1HG2 VAL 5 5.587 -8.196 -25.807 75 HG23 VAL 5 2HG2 VAL 5 6.975 -7.342 -25.132 76 H ALA 6 H ALA 6 4.536 -6.347 -25.001 77 HA ALA 6 HA ALA 6 1.707 -6.990 -24.872 78 HB1 ALA 6 1HB ALA 6 3.338 -4.943 -26.313 79 HB2 ALA 6 2HB ALA 6 1.695 -5.298 -26.848 80 HB3 ALA 6 3HB ALA 6 1.982 -4.723 -25.206 81 H LEU 7 H LEU 7 0.973 -8.729 -25.892 82 HA LEU 7 HA LEU 7 2.415 -9.941 -28.066 83 HB2 LEU 7 2HB LEU 7 -0.351 -10.680 -27.169 84 HB3 LEU 7 3HB LEU 7 0.864 -11.703 -27.933 85 HG LEU 7 HG LEU 7 1.050 -10.610 -25.127 86 HD11 LEU 7 1HD1 LEU 7 -0.773 -12.358 -25.692 87 HD12 LEU 7 2HD1 LEU 7 0.287 -12.635 -24.310 88 HD13 LEU 7 3HD1 LEU 7 0.582 -13.479 -25.831 89 HD21 LEU 7 3HD2 LEU 7 2.647 -12.931 -25.774 90 HD22 LEU 7 1HD2 LEU 7 3.132 -11.390 -25.065 91 HD23 LEU 7 2HD2 LEU 7 3.040 -11.564 -26.817 92 H TYR 8 H TYR 8 -0.534 -8.059 -27.679 93 HA TYR 8 HA TYR 8 -0.560 -7.601 -30.567 94 HB2 TYR 8 2HB TYR 8 -3.163 -8.135 -29.173 95 HB3 TYR 8 3HB TYR 8 -2.789 -8.208 -30.892 96 HD1 TYR 8 HD2 TYR 8 -1.153 -10.086 -31.632 97 HD2 TYR 8 HD1 TYR 8 -3.241 -10.095 -27.926 98 HE1 TYR 8 HE2 TYR 8 -0.828 -12.518 -31.462 99 HE2 TYR 8 HE1 TYR 8 -2.921 -12.527 -27.744 100 HH TYR 8 HH TYR 8 -2.517 -14.452 -29.314 101 H ASP 9 H ASP 9 -1.319 -5.602 -31.179 102 HA ASP 9 HA ASP 9 -1.215 -3.537 -29.245 103 HB2 ASP 9 2HB ASP 9 -1.504 -2.035 -31.034 104 HB3 ASP 9 3HB ASP 9 -0.663 -3.407 -31.750 105 H PHE 10 H PHE 10 -2.769 -2.530 -28.115 106 HA PHE 10 HA PHE 10 -5.575 -3.118 -28.773 107 HB2 PHE 10 2HB PHE 10 -5.351 -4.498 -26.929 108 HB3 PHE 10 3HB PHE 10 -4.147 -3.462 -26.169 109 HD1 PHE 10 HD1 PHE 10 -7.736 -3.945 -26.788 110 HD2 PHE 10 HD2 PHE 10 -4.784 -1.672 -24.729 111 HE1 PHE 10 HE1 PHE 10 -9.488 -2.963 -25.367 112 HE2 PHE 10 HE2 PHE 10 -6.532 -0.687 -23.304 113 HZ PHE 10 HZ PHE 10 -8.887 -1.333 -23.621 114 H GLU 11 H GLU 11 -7.057 -1.484 -28.354 115 HA GLU 11 HA GLU 11 -5.876 1.125 -27.659 116 HB2 GLU 11 2HB GLU 11 -6.549 0.999 -30.014 117 HB3 GLU 11 3HB GLU 11 -8.177 0.542 -29.532 118 HG2 GLU 11 2HG GLU 11 -8.501 2.756 -29.888 119 HG3 GLU 11 3HG GLU 11 -8.040 2.805 -28.187 120 HA PRO 12 HA PRO 12 -8.680 1.183 -24.249 121 HB2 PRO 12 2HB PRO 12 -8.502 3.829 -23.669 122 HB3 PRO 12 3HB PRO 12 -7.221 2.674 -23.285 123 HG2 PRO 12 2HG PRO 12 -7.431 4.572 -25.591 124 HG3 PRO 12 3HG PRO 12 -6.024 4.190 -24.581 125 HD2 PRO 12 2HD PRO 12 -6.386 3.118 -27.041 126 HD3 PRO 12 3HD PRO 12 -5.571 2.243 -25.728 127 H GLU 13 H GLU 13 -10.823 1.521 -23.944 128 HA GLU 13 HA GLU 13 -12.239 3.038 -26.025 129 HB2 GLU 13 2HB GLU 13 -12.627 0.463 -25.273 130 HB3 GLU 13 3HB GLU 13 -13.779 1.275 -24.222 131 HG2 GLU 13 2HG GLU 13 -14.423 2.473 -26.502 132 HG3 GLU 13 3HG GLU 13 -13.776 0.973 -27.165 133 H ASN 14 H ASN 14 -11.288 3.223 -22.826 134 HA ASN 14 HA ASN 14 -13.428 5.159 -22.226 135 HB2 ASN 14 2HB ASN 14 -12.027 3.202 -20.411 136 HB3 ASN 14 3HB ASN 14 -12.876 4.610 -19.781 137 HD21 ASN 14 1HD2 ASN 14 -13.163 1.471 -21.128 138 HD22 ASN 14 2HD2 ASN 14 -14.881 1.336 -21.012 139 H ASP 15 H ASP 15 -12.631 6.658 -20.337 140 HA ASP 15 HA ASP 15 -10.152 7.865 -21.290 141 HB2 ASP 15 2HB ASP 15 -12.391 8.855 -19.531 142 HB3 ASP 15 3HB ASP 15 -10.886 9.749 -19.722 143 H ASN 16 H ASN 16 -10.304 5.419 -19.551 144 HA ASN 16 HA ASN 16 -8.391 6.353 -17.544 145 HB2 ASN 16 2HB ASN 16 -9.555 4.564 -15.995 146 HB3 ASN 16 3HB ASN 16 -10.175 6.210 -16.086 147 HD21 ASN 16 1HD2 ASN 16 -10.888 2.946 -16.425 148 HD22 ASN 16 2HD2 ASN 16 -12.459 3.101 -17.127 149 H GLU 17 H GLU 17 -8.653 4.639 -20.135 150 HA GLU 17 HA GLU 17 -7.334 2.216 -19.122 151 HB2 GLU 17 2HB GLU 17 -8.769 2.830 -21.696 152 HB3 GLU 17 3HB GLU 17 -7.715 1.432 -21.541 153 HG2 GLU 17 2HG GLU 17 -9.149 0.848 -19.487 154 HG3 GLU 17 3HG GLU 17 -10.305 1.997 -20.159 155 H LEU 18 H LEU 18 -5.589 1.342 -20.602 156 HA LEU 18 HA LEU 18 -3.891 3.563 -21.534 157 HB2 LEU 18 2HB LEU 18 -2.875 2.662 -19.607 158 HB3 LEU 18 3HB LEU 18 -3.193 1.007 -20.121 159 HG LEU 18 HG LEU 18 -1.524 1.271 -21.917 160 HD11 LEU 18 1HD1 LEU 18 -0.585 3.216 -22.465 161 HD12 LEU 18 2HD1 LEU 18 -0.282 3.645 -20.782 162 HD13 LEU 18 3HD1 LEU 18 -1.859 3.967 -21.504 163 HD21 LEU 18 3HD2 LEU 18 -1.094 0.714 -19.318 164 HD22 LEU 18 1HD2 LEU 18 -0.007 2.088 -19.526 165 HD23 LEU 18 2HD2 LEU 18 0.166 0.664 -20.553 166 H ARG 19 H ARG 19 -2.671 3.269 -23.409 167 HA ARG 19 HA ARG 19 -3.828 1.421 -25.303 168 HB2 ARG 19 2HB ARG 19 -1.472 3.189 -25.880 169 HB3 ARG 19 3HB ARG 19 -2.742 2.650 -26.970 170 HG2 ARG 19 2HG ARG 19 -4.128 4.089 -25.087 171 HG3 ARG 19 3HG ARG 19 -2.621 4.993 -25.254 172 HD2 ARG 19 2HD ARG 19 -3.130 4.575 -27.835 173 HD3 ARG 19 3HD ARG 19 -4.783 4.509 -27.224 174 HE ARG 19 HE ARG 19 -3.453 6.782 -26.200 175 HH11 ARG 19 1HH1 ARG 19 -4.862 5.528 -29.127 176 HH12 ARG 19 2HH1 ARG 19 -5.248 7.092 -29.765 177 HH21 ARG 19 1HH2 ARG 19 -3.957 8.846 -27.030 178 HH22 ARG 19 2HH2 ARG 19 -4.732 8.978 -28.572 179 H LEU 20 H LEU 20 -2.556 -0.023 -26.627 180 HA LEU 20 HA LEU 20 0.030 -0.832 -25.539 181 HB2 LEU 20 2HB LEU 20 -2.278 -2.161 -24.826 182 HB3 LEU 20 3HB LEU 20 -1.654 -3.125 -26.163 183 HG LEU 20 HG LEU 20 0.405 -3.522 -24.988 184 HD11 LEU 20 1HD1 LEU 20 1.073 -1.775 -23.732 185 HD12 LEU 20 2HD1 LEU 20 0.234 -2.647 -22.450 186 HD13 LEU 20 3HD1 LEU 20 -0.573 -1.322 -23.289 187 HD21 LEU 20 3HD2 LEU 20 -0.864 -5.215 -24.234 188 HD22 LEU 20 1HD2 LEU 20 -2.193 -4.151 -23.773 189 HD23 LEU 20 2HD2 LEU 20 -0.804 -4.342 -22.702 190 H ALA 21 H ALA 21 1.351 -1.938 -26.999 191 HA ALA 21 HA ALA 21 0.313 -2.348 -29.708 192 HB1 ALA 21 1HB ALA 21 2.811 -1.315 -30.201 193 HB2 ALA 21 2HB ALA 21 1.281 -0.456 -30.391 194 HB3 ALA 21 3HB ALA 21 2.207 -0.289 -28.899 195 H GLU 22 H GLU 22 1.197 -4.056 -30.774 196 HA GLU 22 HA GLU 22 2.396 -6.123 -29.404 197 HB2 GLU 22 2HB GLU 22 1.296 -6.359 -31.600 198 HB3 GLU 22 3HB GLU 22 2.650 -5.532 -32.358 199 HG2 GLU 22 2HG GLU 22 3.850 -7.579 -30.954 200 HG3 GLU 22 3HG GLU 22 2.368 -8.306 -31.572 201 H GLY 23 H GLY 23 4.346 -6.387 -28.552 202 HA2 GLY 23 2HA GLY 23 6.712 -6.498 -28.685 203 HA3 GLY 23 3HA GLY 23 6.674 -5.247 -29.919 204 H ASP 24 H ASP 24 4.610 -4.062 -27.775 205 HA ASP 24 HA ASP 24 6.554 -2.253 -26.663 206 HB2 ASP 24 2HB ASP 24 3.556 -2.459 -26.332 207 HB3 ASP 24 3HB ASP 24 4.540 -1.193 -25.602 208 H ILE 25 H ILE 25 7.019 -1.930 -24.478 209 HA ILE 25 HA ILE 25 6.561 -4.296 -22.801 210 HB ILE 25 HB ILE 25 8.613 -2.101 -22.492 211 HG12 ILE 25 2HG1 ILE 25 8.720 -3.923 -24.410 212 HG13 ILE 25 3HG1 ILE 25 10.164 -3.458 -23.517 213 HG21 ILE 25 1HG2 ILE 25 8.062 -4.595 -20.907 214 HG22 ILE 25 2HG2 ILE 25 9.611 -3.755 -20.854 215 HG23 ILE 25 3HG2 ILE 25 8.142 -2.929 -20.334 216 HD11 ILE 25 3HD1 ILE 25 8.470 -5.799 -22.716 217 HD12 ILE 25 1HD1 ILE 25 9.783 -5.930 -23.886 218 HD13 ILE 25 2HD1 ILE 25 10.123 -5.419 -22.232 219 H VAL 26 H VAL 26 5.661 -4.158 -20.788 220 HA VAL 26 HA VAL 26 4.937 -1.528 -19.736 221 HB VAL 26 HB VAL 26 2.620 -2.558 -19.190 222 HG11 VAL 26 1HG1 VAL 26 2.293 -2.038 -21.944 223 HG12 VAL 26 2HG1 VAL 26 2.050 -0.933 -20.590 224 HG13 VAL 26 3HG1 VAL 26 3.624 -1.028 -21.381 225 HG21 VAL 26 3HG2 VAL 26 3.414 -4.220 -21.580 226 HG22 VAL 26 1HG2 VAL 26 3.117 -4.818 -19.948 227 HG23 VAL 26 2HG2 VAL 26 1.796 -4.124 -20.887 228 H PHE 27 H PHE 27 4.255 -1.585 -17.493 229 HA PHE 27 HA PHE 27 5.311 -3.942 -16.075 230 HB2 PHE 27 2HB PHE 27 5.299 -1.046 -15.201 231 HB3 PHE 27 3HB PHE 27 5.860 -2.394 -14.218 232 HD1 PHE 27 HD1 PHE 27 7.558 -3.975 -15.716 233 HD2 PHE 27 HD2 PHE 27 6.985 0.228 -16.063 234 HE1 PHE 27 HE1 PHE 27 9.805 -3.753 -16.693 235 HE2 PHE 27 HE2 PHE 27 9.231 0.457 -17.041 236 HZ PHE 27 HZ PHE 27 10.644 -1.535 -17.358 237 H ILE 28 H ILE 28 3.609 -5.120 -15.452 238 HA ILE 28 HA ILE 28 1.054 -4.019 -14.849 239 HB ILE 28 HB ILE 28 2.029 -6.758 -14.054 240 HG12 ILE 28 2HG1 ILE 28 2.524 -6.363 -16.434 241 HG13 ILE 28 3HG1 ILE 28 1.242 -7.552 -16.231 242 HG21 ILE 28 1HG2 ILE 28 -0.052 -6.401 -13.075 243 HG22 ILE 28 2HG2 ILE 28 -0.655 -5.491 -14.459 244 HG23 ILE 28 3HG2 ILE 28 -0.446 -7.239 -14.576 245 HD11 ILE 28 3HD1 ILE 28 -0.038 -5.074 -16.434 246 HD12 ILE 28 1HD1 ILE 28 1.220 -5.079 -17.670 247 HD13 ILE 28 2HD1 ILE 28 0.014 -6.366 -17.633 248 H SER 29 H SER 29 0.915 -2.674 -13.147 249 HA SER 29 HA SER 29 2.429 -2.889 -10.776 250 HB2 SER 29 2HB SER 29 0.024 -1.317 -11.612 251 HB3 SER 29 3HB SER 29 0.460 -1.363 -9.904 252 HG SER 29 HG SER 29 1.429 0.385 -11.104 253 H TYR 30 H TYR 30 -0.795 -4.013 -11.657 254 HA TYR 30 HA TYR 30 -0.762 -6.131 -9.800 255 HB2 TYR 30 2HB TYR 30 -2.336 -5.418 -8.153 256 HB3 TYR 30 3HB TYR 30 -1.094 -4.174 -8.241 257 HD1 TYR 30 HD1 TYR 30 -4.587 -4.997 -9.032 258 HD2 TYR 30 HD2 TYR 30 -1.605 -1.962 -9.048 259 HE1 TYR 30 HE1 TYR 30 -6.324 -3.300 -9.422 260 HE2 TYR 30 HE2 TYR 30 -3.334 -0.256 -9.437 261 HH TYR 30 HH TYR 30 -6.063 -0.237 -8.859 262 H LYS 31 H LYS 31 -2.504 -7.536 -10.065 263 HA LYS 31 HA LYS 31 -3.967 -7.178 -12.526 264 HB2 LYS 31 2HB LYS 31 -3.157 -9.365 -12.211 265 HB3 LYS 31 3HB LYS 31 -3.707 -9.423 -10.542 266 HG2 LYS 31 2HG LYS 31 -5.963 -9.681 -11.194 267 HG3 LYS 31 3HG LYS 31 -5.599 -9.269 -12.871 268 HD2 LYS 31 2HD LYS 31 -4.433 -11.312 -13.208 269 HD3 LYS 31 3HD LYS 31 -4.438 -11.675 -11.480 270 HE2 LYS 31 2HE LYS 31 -7.101 -11.397 -12.006 271 HE3 LYS 31 3HE LYS 31 -6.511 -12.103 -13.509 272 HZ1 LYS 31 3HZ LYS 31 -7.113 -13.870 -12.070 273 HZ2 LYS 31 1HZ LYS 31 -6.245 -13.216 -10.773 274 HZ3 LYS 31 2HZ LYS 31 -5.422 -13.838 -12.113 275 H HIS 32 H HIS 32 -6.200 -7.088 -12.766 276 HA HIS 32 HA HIS 32 -7.785 -6.702 -10.324 277 HB2 HIS 32 2HB HIS 32 -7.026 -4.510 -11.454 278 HB3 HIS 32 3HB HIS 32 -8.170 -4.929 -12.726 279 HD1 HIS 32 HD1 HIS 32 -8.414 -4.897 -8.919 280 HD2 HIS 32 HD2 HIS 32 -10.449 -3.564 -12.287 281 HE1 HIS 32 HE1 HIS 32 -10.472 -3.742 -8.048 282 H GLY 33 H GLY 33 -10.086 -6.993 -10.620 283 HA2 GLY 33 2HA GLY 33 -10.726 -9.248 -12.164 284 HA3 GLY 33 3HA GLY 33 -11.890 -8.188 -11.384 285 H GLN 34 H GLN 34 -12.997 -8.980 -13.472 286 HA GLN 34 HA GLN 34 -13.950 -8.397 -15.454 287 HB2 GLN 34 2HB GLN 34 -12.458 -5.789 -15.133 288 HB3 GLN 34 3HB GLN 34 -13.842 -6.083 -16.178 289 HG2 GLN 34 2HG GLN 34 -14.045 -6.493 -13.223 290 HG3 GLN 34 3HG GLN 34 -14.198 -4.884 -13.929 291 HE21 GLN 34 1HE2 GLN 34 -15.851 -7.584 -12.987 292 HE22 GLN 34 2HE2 GLN 34 -17.311 -7.345 -13.878 293 H GLY 35 H GLY 35 -10.981 -9.306 -15.118 294 HA2 GLY 35 2HA GLY 35 -9.383 -10.069 -16.585 295 HA3 GLY 35 3HA GLY 35 -10.492 -9.673 -17.890 296 H TRP 36 H TRP 36 -9.419 -7.285 -15.581 297 HA TRP 36 HA TRP 36 -7.722 -6.089 -17.674 298 HB2 TRP 36 2HB TRP 36 -9.645 -4.730 -15.781 299 HB3 TRP 36 3HB TRP 36 -8.415 -3.860 -16.695 300 HD1 TRP 36 HD1 TRP 36 -11.875 -5.252 -16.993 301 HE1 TRP 36 HE1 TRP 36 -12.770 -4.867 -19.376 302 HE3 TRP 36 HE3 TRP 36 -7.532 -3.797 -19.265 303 HZ2 TRP 36 HZ2 TRP 36 -11.767 -4.054 -21.886 304 HZ3 TRP 36 HZ3 TRP 36 -7.586 -3.234 -21.660 305 HH2 TRP 36 HH2 TRP 36 -9.660 -3.361 -22.942 306 H LEU 37 H LEU 37 -5.757 -5.316 -17.068 307 HA LEU 37 HA LEU 37 -5.084 -5.437 -14.203 308 HB2 LEU 37 2HB LEU 37 -2.935 -5.984 -16.148 309 HB3 LEU 37 3HB LEU 37 -3.229 -6.681 -14.556 310 HG LEU 37 HG LEU 37 -4.658 -7.441 -17.104 311 HD11 LEU 37 1HD1 LEU 37 -2.118 -8.169 -16.195 312 HD12 LEU 37 2HD1 LEU 37 -3.065 -8.939 -17.467 313 HD13 LEU 37 3HD1 LEU 37 -3.170 -9.531 -15.809 314 HD21 LEU 37 3HD2 LEU 37 -6.232 -8.206 -15.725 315 HD22 LEU 37 1HD2 LEU 37 -5.241 -7.902 -14.298 316 HD23 LEU 37 2HD2 LEU 37 -5.050 -9.406 -15.200 317 H VAL 38 H VAL 38 -4.073 -3.703 -13.390 318 HA VAL 38 HA VAL 38 -3.718 -1.387 -15.052 319 HB VAL 38 HB VAL 38 -2.987 -1.767 -12.145 320 HG11 VAL 38 1HG1 VAL 38 -1.840 0.122 -13.147 321 HG12 VAL 38 2HG1 VAL 38 -3.366 0.733 -13.789 322 HG13 VAL 38 3HG1 VAL 38 -3.097 0.686 -12.046 323 HG21 VAL 38 3HG2 VAL 38 -5.530 -0.897 -13.486 324 HG22 VAL 38 1HG2 VAL 38 -5.299 -2.153 -12.270 325 HG23 VAL 38 2HG2 VAL 38 -5.152 -0.454 -11.822 326 H ALA 39 H ALA 39 -1.976 -1.046 -16.249 327 HA ALA 39 HA ALA 39 0.658 -1.743 -15.146 328 HB1 ALA 39 1HB ALA 39 0.482 -2.027 -18.049 329 HB2 ALA 39 2HB ALA 39 1.238 -3.075 -16.848 330 HB3 ALA 39 3HB ALA 39 -0.494 -3.193 -17.156 331 H GLU 40 H GLU 40 2.439 -0.545 -16.115 332 HA GLU 40 HA GLU 40 1.570 2.042 -17.228 333 HB2 GLU 40 2HB GLU 40 3.245 3.166 -15.969 334 HB3 GLU 40 3HB GLU 40 2.399 2.109 -14.848 335 HG2 GLU 40 2HG GLU 40 4.569 0.648 -15.918 336 HG3 GLU 40 3HG GLU 40 5.174 2.233 -15.439 337 H ASN 41 H ASN 41 3.024 3.090 -18.679 338 HA ASN 41 HA ASN 41 4.252 1.323 -20.522 339 HB2 ASN 41 2HB ASN 41 4.594 3.188 -21.868 340 HB3 ASN 41 3HB ASN 41 3.217 3.690 -20.893 341 HD21 ASN 41 1HD2 ASN 41 4.432 4.340 -18.528 342 HD22 ASN 41 2HD2 ASN 41 5.469 5.702 -18.765 343 H GLU 42 H GLU 42 6.578 2.287 -21.359 344 HA GLU 42 HA GLU 42 8.426 1.346 -19.416 345 HB2 GLU 42 2HB GLU 42 8.537 2.300 -22.207 346 HB3 GLU 42 3HB GLU 42 10.009 2.536 -21.275 347 HG2 GLU 42 2HG GLU 42 8.747 -0.129 -21.113 348 HG3 GLU 42 3HG GLU 42 9.490 0.313 -22.650 349 H SER 43 H SER 43 7.522 4.542 -20.593 350 HA SER 43 HA SER 43 9.551 6.055 -19.440 351 HB2 SER 43 2HB SER 43 6.657 6.895 -19.715 352 HB3 SER 43 3HB SER 43 8.065 7.954 -19.638 353 HG SER 43 HG SER 43 7.076 7.325 -21.797 354 H GLY 44 H GLY 44 6.912 4.400 -17.969 355 HA2 GLY 44 2HA GLY 44 6.404 4.061 -15.751 356 HA3 GLY 44 3HA GLY 44 7.910 4.873 -15.350 357 H SER 45 H SER 45 6.004 6.793 -17.340 358 HA SER 45 HA SER 45 5.139 8.373 -15.017 359 HB2 SER 45 2HB SER 45 5.745 9.142 -17.873 360 HB3 SER 45 3HB SER 45 4.933 10.232 -16.750 361 HG SER 45 HG SER 45 6.751 10.523 -15.697 362 H LYS 46 H LYS 46 4.008 6.523 -17.668 363 HA LYS 46 HA LYS 46 1.274 7.548 -17.268 364 HB2 LYS 46 2HB LYS 46 1.375 7.819 -19.503 365 HB3 LYS 46 3HB LYS 46 2.775 6.767 -19.660 366 HG2 LYS 46 2HG LYS 46 1.447 4.838 -19.810 367 HG3 LYS 46 3HG LYS 46 0.013 5.681 -19.219 368 HD2 LYS 46 2HD LYS 46 -0.533 5.847 -21.389 369 HD3 LYS 46 3HD LYS 46 0.656 7.151 -21.427 370 HE2 LYS 46 2HE LYS 46 1.454 4.296 -21.886 371 HE3 LYS 46 3HE LYS 46 0.818 5.289 -23.197 372 HZ1 LYS 46 3HZ LYS 46 3.363 5.175 -22.748 373 HZ2 LYS 46 1HZ LYS 46 3.021 6.333 -21.563 374 HZ3 LYS 46 2HZ LYS 46 2.644 6.643 -23.182 375 H THR 47 H THR 47 -0.104 6.248 -16.266 376 HA THR 47 HA THR 47 0.278 3.340 -16.456 377 HB THR 47 HB THR 47 -0.481 4.709 -13.875 378 HG1 THR 47 HG1 THR 47 1.579 5.086 -13.635 379 HG21 THR 47 3HG2 THR 47 0.257 1.884 -14.620 380 HG22 THR 47 1HG2 THR 47 -1.258 2.461 -13.925 381 HG23 THR 47 2HG2 THR 47 0.215 2.462 -12.954 382 H GLY 48 H GLY 48 -1.524 2.297 -17.012 383 HA2 GLY 48 2HA GLY 48 -4.126 3.380 -16.229 384 HA3 GLY 48 3HA GLY 48 -3.813 3.202 -17.949 385 H LEU 49 H LEU 49 -5.558 1.723 -18.099 386 HA LEU 49 HA LEU 49 -5.105 -0.878 -16.808 387 HB2 LEU 49 2HB LEU 49 -7.571 0.337 -18.037 388 HB3 LEU 49 3HB LEU 49 -7.472 -1.337 -17.495 389 HG LEU 49 HG LEU 49 -6.809 0.781 -15.523 390 HD11 LEU 49 1HD1 LEU 49 -8.809 1.657 -16.656 391 HD12 LEU 49 2HD1 LEU 49 -9.135 1.175 -14.992 392 HD13 LEU 49 3HD1 LEU 49 -9.643 0.138 -16.324 393 HD21 LEU 49 3HD2 LEU 49 -6.776 -1.756 -15.179 394 HD22 LEU 49 1HD2 LEU 49 -8.537 -1.650 -15.192 395 HD23 LEU 49 2HD2 LEU 49 -7.609 -0.775 -13.973 396 H VAL 50 H VAL 50 -4.458 -2.557 -17.986 397 HA VAL 50 HA VAL 50 -4.778 -2.424 -20.914 398 HB VAL 50 HB VAL 50 -2.645 -3.487 -21.226 399 HG11 VAL 50 1HG1 VAL 50 -1.363 -1.638 -20.917 400 HG12 VAL 50 2HG1 VAL 50 -2.934 -0.925 -20.544 401 HG13 VAL 50 3HG1 VAL 50 -1.863 -1.436 -19.239 402 HG21 VAL 50 3HG2 VAL 50 -2.690 -4.908 -19.222 403 HG22 VAL 50 1HG2 VAL 50 -1.161 -4.044 -19.384 404 HG23 VAL 50 2HG2 VAL 50 -2.367 -3.492 -18.221 405 HA PRO 51 HA PRO 51 -6.663 -6.386 -20.745 406 HB2 PRO 51 2HB PRO 51 -5.864 -7.446 -23.113 407 HB3 PRO 51 3HB PRO 51 -7.066 -6.156 -22.995 408 HG2 PRO 51 2HG PRO 51 -4.147 -5.972 -23.633 409 HG3 PRO 51 3HG PRO 51 -5.513 -5.136 -24.394 410 HD2 PRO 51 2HD PRO 51 -3.915 -3.946 -22.560 411 HD3 PRO 51 3HD PRO 51 -5.639 -3.555 -22.722 412 H GLU 52 H GLU 52 -6.263 -8.498 -20.177 413 HA GLU 52 HA GLU 52 -3.486 -9.140 -19.563 414 HB2 GLU 52 2HB GLU 52 -5.205 -9.397 -17.811 415 HB3 GLU 52 3HB GLU 52 -6.032 -10.586 -18.808 416 HG2 GLU 52 2HG GLU 52 -4.393 -12.186 -18.493 417 HG3 GLU 52 3HG GLU 52 -3.176 -10.996 -18.040 418 H GLU 53 H GLU 53 -6.086 -10.154 -21.651 419 HA GLU 53 HA GLU 53 -4.733 -12.579 -22.472 420 HB2 GLU 53 2HB GLU 53 -7.387 -11.597 -22.587 421 HB3 GLU 53 3HB GLU 53 -6.861 -11.845 -24.245 422 HG2 GLU 53 2HG GLU 53 -6.226 -14.151 -23.676 423 HG3 GLU 53 3HG GLU 53 -6.827 -13.892 -22.040 424 H PHE 54 H PHE 54 -3.915 -9.574 -22.986 425 HA PHE 54 HA PHE 54 -3.231 -9.995 -25.821 426 HB2 PHE 54 2HB PHE 54 -4.409 -7.692 -24.459 427 HB3 PHE 54 3HB PHE 54 -2.983 -7.274 -25.404 428 HD1 PHE 54 HD2 PHE 54 -5.462 -9.919 -26.156 429 HD2 PHE 54 HD1 PHE 54 -3.934 -6.080 -27.176 430 HE1 PHE 54 HE2 PHE 54 -6.825 -9.924 -28.205 431 HE2 PHE 54 HE1 PHE 54 -5.296 -6.078 -29.226 432 HZ PHE 54 HZ PHE 54 -6.743 -8.003 -29.743 433 H VAL 55 H VAL 55 -2.058 -9.772 -22.709 434 HA VAL 55 HA VAL 55 0.623 -9.008 -23.671 435 HB VAL 55 HB VAL 55 1.129 -8.359 -21.319 436 HG11 VAL 55 1HG1 VAL 55 -1.140 -6.615 -21.878 437 HG12 VAL 55 2HG1 VAL 55 0.586 -6.250 -21.825 438 HG13 VAL 55 3HG1 VAL 55 -0.130 -6.923 -23.290 439 HG21 VAL 55 3HG2 VAL 55 -1.455 -9.527 -20.881 440 HG22 VAL 55 1HG2 VAL 55 -0.259 -8.987 -19.702 441 HG23 VAL 55 2HG2 VAL 55 -1.451 -7.851 -20.332 442 H SER 56 H SER 56 2.380 -9.931 -22.164 443 HA SER 56 HA SER 56 1.711 -12.591 -21.158 444 HB2 SER 56 2HB SER 56 2.351 -12.928 -23.516 445 HB3 SER 56 3HB SER 56 3.883 -12.109 -23.214 446 HG SER 56 HG SER 56 4.636 -13.878 -22.370 447 H TYR 57 H TYR 57 2.450 -12.592 -19.148 448 HA TYR 57 HA TYR 57 4.240 -10.816 -18.022 449 HB2 TYR 57 2HB TYR 57 3.198 -13.495 -17.250 450 HB3 TYR 57 3HB TYR 57 4.592 -12.883 -16.367 451 HD1 TYR 57 HD2 TYR 57 1.703 -10.977 -17.730 452 HD2 TYR 57 HD1 TYR 57 3.722 -12.377 -14.257 453 HE1 TYR 57 HE2 TYR 57 0.210 -9.621 -16.323 454 HE2 TYR 57 HE1 TYR 57 2.234 -11.026 -12.839 455 HH TYR 57 HH TYR 57 0.339 -9.802 -12.801 456 H ILE 58 H ILE 58 6.399 -10.644 -17.892 457 HA ILE 58 HA ILE 58 7.999 -12.652 -19.315 458 HB ILE 58 HB ILE 58 8.831 -9.867 -18.503 459 HG12 ILE 58 2HG1 ILE 58 7.907 -10.831 -21.218 460 HG13 ILE 58 3HG1 ILE 58 6.916 -9.891 -20.108 461 HG21 ILE 58 1HG2 ILE 58 10.847 -10.731 -18.961 462 HG22 ILE 58 2HG2 ILE 58 10.166 -12.129 -19.792 463 HG23 ILE 58 3HG2 ILE 58 10.349 -10.597 -20.647 464 HD11 ILE 58 3HD1 ILE 58 7.689 -8.193 -21.368 465 HD12 ILE 58 1HD1 ILE 58 9.044 -8.287 -20.243 466 HD13 ILE 58 2HD1 ILE 58 9.158 -9.053 -21.827 467 H GLN 59 H GLN 59 9.903 -13.488 -18.423 468 HA GLN 59 HA GLN 59 10.300 -13.012 -15.549 469 HB2 GLN 59 2HB GLN 59 9.652 -15.530 -16.929 470 HB3 GLN 59 3HB GLN 59 11.004 -15.636 -15.810 471 HG2 GLN 59 2HG GLN 59 9.702 -15.376 -13.993 472 HG3 GLN 59 3HG GLN 59 8.610 -14.253 -14.801 473 HE21 GLN 59 1HE2 GLN 59 7.028 -15.582 -13.591 474 HE22 GLN 59 2HE2 GLN 59 6.419 -17.006 -14.355 475 HA PRO 60 HA PRO 60 14.593 -12.690 -16.380 476 HB2 PRO 60 2HB PRO 60 15.705 -13.911 -14.226 477 HB3 PRO 60 3HB PRO 60 14.908 -12.336 -14.132 478 HG2 PRO 60 2HG PRO 60 13.843 -15.043 -13.424 479 HG3 PRO 60 3HG PRO 60 13.674 -13.510 -12.549 480 HD2 PRO 60 2HD PRO 60 11.708 -14.519 -14.115 481 HD3 PRO 60 3HD PRO 60 11.969 -12.774 -13.915 482 H GLU 61 H GLU 61 13.813 -15.947 -15.142 483 HA GLU 61 HA GLU 61 15.072 -17.155 -17.453 484 HB2 GLU 61 2HB GLU 61 16.745 -18.373 -16.328 485 HB3 GLU 61 3HB GLU 61 16.891 -16.731 -15.716 486 HG2 GLU 61 2HG GLU 61 15.363 -17.552 -13.807 487 HG3 GLU 61 3HG GLU 61 15.830 -19.164 -14.346 488 H LEU 62 H LEU 62 12.440 -16.995 -15.982 489 HA LEU 62 HA LEU 62 12.021 -19.879 -15.557 490 HB2 LEU 62 2HB LEU 62 10.105 -17.775 -14.641 491 HB3 LEU 62 3HB LEU 62 10.333 -19.413 -14.033 492 HG LEU 62 HG LEU 62 12.254 -17.124 -13.612 493 HD11 LEU 62 1HD1 LEU 62 11.392 -16.853 -11.468 494 HD12 LEU 62 2HD1 LEU 62 10.533 -18.393 -11.513 495 HD13 LEU 62 3HD1 LEU 62 9.954 -17.032 -12.473 496 HD21 LEU 62 3HD2 LEU 62 13.565 -19.017 -13.452 497 HD22 LEU 62 1HD2 LEU 62 12.244 -20.009 -12.834 498 HD23 LEU 62 2HD2 LEU 62 13.015 -18.817 -11.788 499 H GLU 63 H GLU 63 9.861 -20.694 -16.197 500 HA GLU 63 HA GLU 63 9.068 -19.495 -18.757 501 HB2 GLU 63 2HB GLU 63 8.580 -22.284 -17.695 502 HB3 GLU 63 3HB GLU 63 8.110 -21.699 -19.285 503 HG2 GLU 63 2HG GLU 63 10.967 -21.641 -18.395 504 HG3 GLU 63 3HG GLU 63 10.245 -23.098 -19.075 505 H1 GLY -9 H GLY -9 -4.270 3.469 -7.833 506 HA2 GLY -9 2HA GLY -9 -4.772 6.141 -8.446 507 HA3 GLY -9 3HA GLY -9 -4.729 5.268 -9.970 508 H LYS -8 H LYS -8 -6.991 6.060 -10.048 509 HA LYS -8 HA LYS -8 -8.776 4.190 -8.632 510 HB2 LYS -8 2HB LYS -8 -9.188 7.103 -9.293 511 HB3 LYS -8 3HB LYS -8 -10.523 6.032 -8.886 512 HG2 LYS -8 2HG LYS -8 -9.070 5.513 -6.774 513 HG3 LYS -8 3HG LYS -8 -8.327 7.067 -7.162 514 HD2 LYS -8 2HD LYS -8 -10.624 8.060 -7.200 515 HD3 LYS -8 3HD LYS -8 -11.238 6.518 -6.598 516 HE2 LYS -8 2HE LYS -8 -9.632 6.766 -4.671 517 HE3 LYS -8 3HE LYS -8 -9.331 8.409 -5.234 518 HZ1 LYS -8 3HZ LYS -8 -11.059 8.153 -3.448 519 HZ2 LYS -8 1HZ LYS -8 -12.048 7.414 -4.604 520 HZ3 LYS -8 2HZ LYS -8 -11.550 9.016 -4.817 521 H PHE -7 H PHE -7 -7.704 3.408 -10.996 522 HA PHE -7 HA PHE -7 -9.600 4.051 -13.114 523 HB2 PHE -7 2HB PHE -7 -7.251 2.156 -13.246 524 HB3 PHE -7 3HB PHE -7 -8.120 2.878 -14.596 525 HD1 PHE -7 HD1 PHE -7 -8.302 5.682 -13.777 526 HD2 PHE -7 HD2 PHE -7 -5.078 2.924 -13.434 527 HE1 PHE -7 HE1 PHE -7 -6.704 7.552 -13.806 528 HE2 PHE -7 HE2 PHE -7 -3.475 4.790 -13.461 529 HZ PHE -7 HZ PHE -7 -4.287 7.108 -13.646 530 H ILE -6 H ILE -6 -11.381 2.900 -13.395 531 HA ILE -6 HA ILE -6 -11.343 0.035 -12.740 532 HB ILE -6 HB ILE -6 -12.462 1.089 -10.880 533 HG12 ILE -6 2HG1 ILE -6 -14.716 0.042 -12.567 534 HG13 ILE -6 3HG1 ILE -6 -13.402 -1.024 -12.082 535 HG21 ILE -6 1HG2 ILE -6 -13.594 2.982 -11.106 536 HG22 ILE -6 2HG2 ILE -6 -13.388 2.892 -12.855 537 HG23 ILE -6 3HG2 ILE -6 -14.801 2.160 -12.094 538 HD11 ILE -6 3HD1 ILE -6 -14.369 -1.340 -10.126 539 HD12 ILE -6 1HD1 ILE -6 -14.301 0.390 -9.790 540 HD13 ILE -6 2HD1 ILE -6 -15.699 -0.293 -10.622 541 HA PRO -5 HA PRO -5 -12.898 -0.045 -16.922 542 HB2 PRO -5 2HB PRO -5 -13.045 -2.750 -17.097 543 HB3 PRO -5 3HB PRO -5 -11.524 -1.860 -17.235 544 HG2 PRO -5 2HG PRO -5 -12.668 -3.299 -14.873 545 HG3 PRO -5 3HG PRO -5 -11.000 -3.286 -15.475 546 HD2 PRO -5 2HD PRO -5 -11.802 -1.779 -13.373 547 HD3 PRO -5 3HD PRO -5 -10.529 -1.255 -14.494 548 H SER -4 H SER -4 -14.853 -0.563 -17.960 549 HA SER -4 HA SER -4 -17.005 -1.602 -16.249 550 HB2 SER -4 2HB SER -4 -17.162 0.851 -16.238 551 HB3 SER -4 3HB SER -4 -17.198 0.862 -18.001 552 HG SER -4 HG SER -4 -19.225 0.260 -17.970 553 H ARG -3 H ARG -3 -15.569 -3.024 -18.203 554 HA ARG -3 HA ARG -3 -17.673 -4.102 -19.734 555 HB2 ARG -3 2HB ARG -3 -17.181 -3.409 -21.934 556 HB3 ARG -3 3HB ARG -3 -17.188 -1.933 -20.979 557 HG2 ARG -3 2HG ARG -3 -14.647 -2.276 -20.808 558 HG3 ARG -3 3HG ARG -3 -14.860 -3.403 -22.150 559 HD2 ARG -3 2HD ARG -3 -15.463 -0.457 -22.077 560 HD3 ARG -3 3HD ARG -3 -14.316 -1.308 -23.111 561 HE ARG -3 HE ARG -3 -17.100 -0.938 -23.588 562 HH11 ARG -3 1HH1 ARG -3 -14.446 -3.135 -24.086 563 HH12 ARG -3 2HH1 ARG -3 -15.133 -3.849 -25.507 564 HH21 ARG -3 1HH2 ARG -3 -18.015 -1.871 -25.458 565 HH22 ARG -3 2HH2 ARG -3 -17.163 -3.129 -26.287 566 HA PRO -2 HA PRO -2 -14.867 -7.475 -19.869 567 HB2 PRO -2 2HB PRO -2 -15.741 -8.802 -22.070 568 HB3 PRO -2 3HB PRO -2 -16.641 -8.768 -20.549 569 HG2 PRO -2 2HG PRO -2 -17.047 -7.139 -23.027 570 HG3 PRO -2 3HG PRO -2 -18.255 -7.925 -21.994 571 HD2 PRO -2 2HD PRO -2 -17.709 -5.277 -21.841 572 HD3 PRO -2 3HD PRO -2 -18.201 -6.234 -20.429 573 H ALA -1 H ALA -1 -12.862 -7.871 -20.617 574 HA ALA -1 HA ALA -1 -11.648 -6.163 -22.496 575 HB1 ALA -1 1HB ALA -1 -10.304 -8.730 -22.022 576 HB2 ALA -1 2HB ALA -1 -9.718 -7.081 -21.803 577 HB3 ALA -1 3HB ALA -1 -10.728 -7.829 -20.566 578 HA PRO 0 HA PRO 0 -12.395 -8.052 -26.389 579 HB2 PRO 0 2HB PRO 0 -10.065 -7.536 -27.683 580 HB3 PRO 0 3HB PRO 0 -11.263 -6.287 -27.328 581 HG2 PRO 0 2HG PRO 0 -8.738 -6.958 -25.868 582 HG3 PRO 0 3HG PRO 0 -9.399 -5.366 -26.288 583 HD2 PRO 0 2HD PRO 0 -9.644 -6.439 -23.813 584 HD3 PRO 0 3HD PRO 0 -10.877 -5.374 -24.519 585 H LYS 1 H LYS 1 -10.905 -9.371 -28.124 586 HA LYS 1 HA LYS 1 -9.582 -11.543 -26.645 587 HB2 LYS 1 2HB LYS 1 -11.729 -11.748 -28.745 588 HB3 LYS 1 3HB LYS 1 -10.622 -13.079 -28.432 589 HG2 LYS 1 2HG LYS 1 -11.369 -13.176 -26.118 590 HG3 LYS 1 3HG LYS 1 -12.456 -11.815 -26.403 591 HD2 LYS 1 2HD LYS 1 -13.689 -13.901 -26.496 592 HD3 LYS 1 3HD LYS 1 -13.650 -13.150 -28.093 593 HE2 LYS 1 2HE LYS 1 -13.252 -15.551 -28.244 594 HE3 LYS 1 3HE LYS 1 -11.831 -14.641 -28.753 595 HZ1 LYS 1 3HZ LYS 1 -10.648 -15.288 -26.932 596 HZ2 LYS 1 1HZ LYS 1 -11.628 -16.654 -27.120 597 HZ3 LYS 1 2HZ LYS 1 -12.013 -15.490 -25.955 598 HA PRO 2 HA PRO 2 -6.333 -11.234 -29.581 599 HB2 PRO 2 2HB PRO 2 -5.489 -13.812 -29.710 600 HB3 PRO 2 3HB PRO 2 -5.196 -12.774 -28.309 601 HG2 PRO 2 2HG PRO 2 -7.306 -14.860 -28.714 602 HG3 PRO 2 3HG PRO 2 -6.311 -14.538 -27.282 603 HD2 PRO 2 2HD PRO 2 -8.872 -13.686 -27.498 604 HD3 PRO 2 3HD PRO 2 -7.637 -12.780 -26.601 605 HA PRO 3 HA PRO 3 -7.649 -12.284 -33.643 606 HB2 PRO 3 2HB PRO 3 -5.296 -12.772 -34.907 607 HB3 PRO 3 3HB PRO 3 -5.811 -11.150 -34.428 608 HG2 PRO 3 2HG PRO 3 -3.912 -13.016 -33.059 609 HG3 PRO 3 3HG PRO 3 -3.768 -11.268 -33.326 610 HD2 PRO 3 2HD PRO 3 -4.553 -12.321 -30.958 611 HD3 PRO 3 3HD PRO 3 -5.147 -10.757 -31.551 612 H SER 4 H SER 4 -7.868 -13.984 -35.192 613 HA SER 4 HA SER 4 -6.641 -16.539 -34.760 614 HB2 SER 4 2HB SER 4 -8.399 -16.503 -32.984 615 HB3 SER 4 3HB SER 4 -9.616 -16.323 -34.247 616 HG SER 4 HG SER 4 -8.015 -18.532 -33.610 617 H SER 5 H SER 5 -6.416 -17.443 -36.691 618 HA SER 5 HA SER 5 -8.435 -16.880 -38.759 619 HB2 SER 5 2HB SER 5 -6.480 -16.987 -40.404 620 HB3 SER 5 3HB SER 5 -6.582 -15.543 -39.397 621 HG SER 5 HG SER 5 -4.480 -16.851 -39.635 622 H ALA 6 H ALA 6 -9.280 -18.632 -39.671 623 HA ALA 6 HA ALA 6 -7.768 -21.158 -39.540 624 HB1 ALA 6 1HB ALA 6 -10.192 -20.564 -38.226 625 HB2 ALA 6 2HB ALA 6 -10.572 -21.686 -39.533 626 HB3 ALA 6 3HB ALA 6 -9.358 -22.115 -38.328 Start of MODEL 8 1 H1 MET -4 H MET -4 -3.038 -2.120 -3.017 2 HA MET -4 HA MET -4 -1.607 -3.439 -1.085 3 HB2 MET -4 2HB MET -4 -4.074 -3.554 -1.396 4 HB3 MET -4 3HB MET -4 -3.822 -4.654 -2.745 5 HG2 MET -4 2HG MET -4 -2.505 -6.055 -0.986 6 HG3 MET -4 3HG MET -4 -3.440 -5.113 0.173 7 HE1 MET -4 3HE MET -4 -4.683 -8.052 0.800 8 HE2 MET -4 1HE MET -4 -4.748 -6.358 1.289 9 HE3 MET -4 2HE MET -4 -6.216 -7.180 0.759 10 H ALA -3 H ALA -3 0.268 -4.466 -1.319 11 HA ALA -3 HA ALA -3 1.887 -5.875 -2.079 12 HB1 ALA -3 1HB ALA -3 1.232 -8.029 -2.739 13 HB2 ALA -3 2HB ALA -3 -0.064 -7.465 -1.683 14 HB3 ALA -3 3HB ALA -3 -0.282 -7.450 -3.433 15 H ILE -2 H ILE -2 2.206 -3.833 -3.506 16 HA ILE -2 HA ILE -2 1.607 -4.118 -6.297 17 HB ILE -2 HB ILE -2 3.433 -2.204 -4.842 18 HG12 ILE -2 2HG1 ILE -2 1.520 -0.631 -5.717 19 HG13 ILE -2 3HG1 ILE -2 0.590 -2.124 -5.784 20 HG21 ILE -2 1HG2 ILE -2 3.407 -0.912 -6.967 21 HG22 ILE -2 2HG2 ILE -2 4.260 -2.451 -7.079 22 HG23 ILE -2 3HG2 ILE -2 2.635 -2.293 -7.746 23 HD11 ILE -2 3HD1 ILE -2 0.416 -0.701 -3.680 24 HD12 ILE -2 1HD1 ILE -2 0.699 -2.430 -3.477 25 HD13 ILE -2 2HD1 ILE -2 2.033 -1.289 -3.298 26 H VAL -1 H VAL -1 2.774 -5.084 -7.832 27 HA VAL -1 HA VAL -1 5.479 -6.019 -7.129 28 HB VAL -1 HB VAL -1 3.633 -7.247 -9.177 29 HG11 VAL -1 1HG1 VAL -1 6.331 -7.942 -8.087 30 HG12 VAL -1 2HG1 VAL -1 5.269 -9.202 -8.720 31 HG13 VAL -1 3HG1 VAL -1 5.786 -7.876 -9.762 32 HG21 VAL -1 3HG2 VAL -1 4.103 -7.967 -6.291 33 HG22 VAL -1 1HG2 VAL -1 2.574 -7.577 -7.079 34 HG23 VAL -1 2HG2 VAL -1 3.406 -9.084 -7.465 35 H ASN 1 H ASN 1 7.150 -5.426 -8.374 36 HA ASN 1 HA ASN 1 6.602 -3.666 -10.638 37 HB2 ASN 1 2HB ASN 1 9.354 -4.256 -9.596 38 HB3 ASN 1 3HB ASN 1 8.742 -2.785 -10.347 39 HD21 ASN 1 1HD2 ASN 1 6.510 -2.260 -8.907 40 HD22 ASN 1 2HD2 ASN 1 6.925 -1.935 -7.261 41 H GLN 2 H GLN 2 5.857 -5.919 -11.582 42 HA GLN 2 HA GLN 2 8.128 -7.300 -12.814 43 HB2 GLN 2 2HB GLN 2 6.313 -8.607 -11.666 44 HB3 GLN 2 3HB GLN 2 5.207 -8.060 -12.919 45 HG2 GLN 2 2HG GLN 2 5.914 -10.236 -13.511 46 HG3 GLN 2 3HG GLN 2 6.727 -9.113 -14.600 47 HE21 GLN 2 1HE2 GLN 2 8.361 -10.581 -15.054 48 HE22 GLN 2 2HE2 GLN 2 9.598 -10.967 -13.912 49 H ARG 3 H ARG 3 8.619 -7.090 -14.909 50 HA ARG 3 HA ARG 3 7.103 -5.194 -16.495 51 HB2 ARG 3 2HB ARG 3 8.953 -5.165 -17.979 52 HB3 ARG 3 3HB ARG 3 9.632 -5.232 -16.358 53 HG2 ARG 3 2HG ARG 3 9.472 -7.870 -16.963 54 HG3 ARG 3 3HG ARG 3 9.784 -7.168 -18.551 55 HD2 ARG 3 2HD ARG 3 11.923 -7.510 -17.762 56 HD3 ARG 3 3HD ARG 3 11.633 -5.834 -17.296 57 HE ARG 3 HE ARG 3 10.883 -7.641 -15.230 58 HH11 ARG 3 1HH1 ARG 3 13.623 -6.100 -16.726 59 HH12 ARG 3 2HH1 ARG 3 14.606 -6.172 -15.302 60 HH21 ARG 3 1HH2 ARG 3 12.168 -7.742 -13.348 61 HH22 ARG 3 2HH2 ARG 3 13.778 -7.107 -13.381 62 H ALA 4 H ALA 4 6.586 -5.675 -18.773 63 HA ALA 4 HA ALA 4 6.237 -8.462 -19.486 64 HB1 ALA 4 1HB ALA 4 4.122 -8.664 -18.854 65 HB2 ALA 4 2HB ALA 4 4.113 -7.001 -18.265 66 HB3 ALA 4 3HB ALA 4 3.686 -7.345 -19.941 67 H VAL 5 H VAL 5 5.632 -8.765 -21.698 68 HA VAL 5 HA VAL 5 6.279 -6.430 -23.361 69 HB VAL 5 HB VAL 5 7.705 -8.472 -23.586 70 HG11 VAL 5 1HG1 VAL 5 5.883 -9.942 -25.268 71 HG12 VAL 5 2HG1 VAL 5 6.839 -10.497 -23.892 72 HG13 VAL 5 3HG1 VAL 5 5.245 -9.789 -23.631 73 HG21 VAL 5 3HG2 VAL 5 7.832 -8.381 -25.976 74 HG22 VAL 5 1HG2 VAL 5 6.167 -7.812 -26.092 75 HG23 VAL 5 2HG2 VAL 5 7.407 -6.773 -25.391 76 H ALA 6 H ALA 6 5.084 -6.023 -25.282 77 HA ALA 6 HA ALA 6 2.264 -6.713 -25.012 78 HB1 ALA 6 1HB ALA 6 2.424 -5.023 -27.159 79 HB2 ALA 6 2HB ALA 6 2.145 -4.531 -25.488 80 HB3 ALA 6 3HB ALA 6 3.777 -4.494 -26.158 81 H LEU 7 H LEU 7 1.547 -8.465 -26.021 82 HA LEU 7 HA LEU 7 2.950 -9.610 -28.258 83 HB2 LEU 7 2HB LEU 7 0.252 -10.461 -27.261 84 HB3 LEU 7 3HB LEU 7 1.475 -11.430 -28.078 85 HG LEU 7 HG LEU 7 1.780 -10.332 -25.286 86 HD11 LEU 7 1HD1 LEU 7 1.058 -13.140 -26.100 87 HD12 LEU 7 2HD1 LEU 7 -0.098 -11.952 -25.500 88 HD13 LEU 7 3HD1 LEU 7 1.217 -12.504 -24.462 89 HD21 LEU 7 3HD2 LEU 7 3.842 -11.175 -25.307 90 HD22 LEU 7 1HD2 LEU 7 3.671 -11.292 -27.058 91 HD23 LEU 7 2HD2 LEU 7 3.302 -12.685 -26.042 92 H TYR 8 H TYR 8 -0.022 -7.808 -27.739 93 HA TYR 8 HA TYR 8 -0.184 -7.329 -30.615 94 HB2 TYR 8 2HB TYR 8 -2.727 -7.975 -29.170 95 HB3 TYR 8 3HB TYR 8 -2.371 -8.061 -30.892 96 HD1 TYR 8 HD2 TYR 8 -0.796 -9.912 -31.687 97 HD2 TYR 8 HD1 TYR 8 -2.589 -9.889 -27.828 98 HE1 TYR 8 HE2 TYR 8 -0.374 -12.326 -31.483 99 HE2 TYR 8 HE1 TYR 8 -2.171 -12.303 -27.613 100 HH TYR 8 HH TYR 8 -1.732 -14.298 -29.825 101 H ASP 9 H ASP 9 -1.145 -5.382 -31.177 102 HA ASP 9 HA ASP 9 -1.026 -3.326 -29.224 103 HB2 ASP 9 2HB ASP 9 -1.473 -1.827 -30.975 104 HB3 ASP 9 3HB ASP 9 -0.626 -3.156 -31.762 105 H PHE 10 H PHE 10 -2.581 -2.353 -28.049 106 HA PHE 10 HA PHE 10 -5.380 -3.082 -28.558 107 HB2 PHE 10 2HB PHE 10 -4.989 -4.511 -26.773 108 HB3 PHE 10 3HB PHE 10 -3.820 -3.426 -26.027 109 HD1 PHE 10 HD1 PHE 10 -7.402 -4.077 -26.551 110 HD2 PHE 10 HD2 PHE 10 -4.498 -1.748 -24.486 111 HE1 PHE 10 HE1 PHE 10 -9.153 -3.242 -25.037 112 HE2 PHE 10 HE2 PHE 10 -6.244 -0.911 -22.968 113 HZ PHE 10 HZ PHE 10 -8.574 -1.658 -23.242 114 H GLU 11 H GLU 11 -6.907 -1.528 -28.008 115 HA GLU 11 HA GLU 11 -5.796 1.115 -27.328 116 HB2 GLU 11 2HB GLU 11 -6.629 1.109 -29.592 117 HB3 GLU 11 3HB GLU 11 -8.150 0.394 -29.077 118 HG2 GLU 11 2HG GLU 11 -8.542 2.463 -27.710 119 HG3 GLU 11 3HG GLU 11 -7.140 3.167 -28.515 120 HA PRO 12 HA PRO 12 -8.298 1.008 -23.697 121 HB2 PRO 12 2HB PRO 12 -8.250 3.661 -23.121 122 HB3 PRO 12 3HB PRO 12 -6.865 2.596 -22.857 123 HG2 PRO 12 2HG PRO 12 -7.405 4.473 -25.125 124 HG3 PRO 12 3HG PRO 12 -5.893 4.188 -24.245 125 HD2 PRO 12 2HD PRO 12 -6.396 3.092 -26.669 126 HD3 PRO 12 3HD PRO 12 -5.411 2.276 -25.438 127 H GLU 13 H GLU 13 -10.432 1.098 -23.288 128 HA GLU 13 HA GLU 13 -12.134 2.474 -25.232 129 HB2 GLU 13 2HB GLU 13 -12.457 0.125 -23.445 130 HB3 GLU 13 3HB GLU 13 -13.895 1.086 -23.762 131 HG2 GLU 13 2HG GLU 13 -12.190 0.179 -26.034 132 HG3 GLU 13 3HG GLU 13 -13.319 -0.942 -25.275 133 H ASN 14 H ASN 14 -11.063 2.682 -21.985 134 HA ASN 14 HA ASN 14 -13.145 4.682 -21.395 135 HB2 ASN 14 2HB ASN 14 -11.724 2.700 -19.659 136 HB3 ASN 14 3HB ASN 14 -12.295 4.208 -18.951 137 HD21 ASN 14 1HD2 ASN 14 -13.077 1.082 -19.495 138 HD22 ASN 14 2HD2 ASN 14 -14.799 1.190 -19.424 139 H ASP 15 H ASP 15 -12.282 6.272 -19.621 140 HA ASP 15 HA ASP 15 -9.932 7.529 -20.774 141 HB2 ASP 15 2HB ASP 15 -12.013 8.405 -18.783 142 HB3 ASP 15 3HB ASP 15 -10.542 9.340 -19.039 143 H ASN 16 H ASN 16 -10.185 5.121 -18.719 144 HA ASN 16 HA ASN 16 -7.958 6.060 -17.036 145 HB2 ASN 16 2HB ASN 16 -8.917 4.200 -15.426 146 HB3 ASN 16 3HB ASN 16 -9.586 5.829 -15.418 147 HD21 ASN 16 1HD2 ASN 16 -10.249 2.559 -15.746 148 HD22 ASN 16 2HD2 ASN 16 -11.880 2.683 -16.303 149 H GLU 17 H GLU 17 -8.308 4.439 -19.634 150 HA GLU 17 HA GLU 17 -6.846 2.030 -18.788 151 HB2 GLU 17 2HB GLU 17 -8.512 2.620 -21.228 152 HB3 GLU 17 3HB GLU 17 -7.422 1.243 -21.153 153 HG2 GLU 17 2HG GLU 17 -8.746 0.802 -18.899 154 HG3 GLU 17 3HG GLU 17 -9.989 1.713 -19.755 155 H LEU 18 H LEU 18 -5.044 1.329 -20.095 156 HA LEU 18 HA LEU 18 -3.589 3.607 -21.252 157 HB2 LEU 18 2HB LEU 18 -2.737 2.188 -19.238 158 HB3 LEU 18 3HB LEU 18 -2.296 1.024 -20.486 159 HG LEU 18 HG LEU 18 -1.330 3.700 -21.083 160 HD11 LEU 18 1HD1 LEU 18 0.496 3.495 -19.307 161 HD12 LEU 18 2HD1 LEU 18 -0.627 2.435 -18.456 162 HD13 LEU 18 3HD1 LEU 18 -1.078 4.106 -18.796 163 HD21 LEU 18 3HD2 LEU 18 0.547 1.501 -20.579 164 HD22 LEU 18 1HD2 LEU 18 0.360 2.538 -21.994 165 HD23 LEU 18 2HD2 LEU 18 -0.705 1.149 -21.772 166 H ARG 19 H ARG 19 -2.418 3.348 -23.190 167 HA ARG 19 HA ARG 19 -3.655 1.494 -25.039 168 HB2 ARG 19 2HB ARG 19 -1.416 3.351 -25.765 169 HB3 ARG 19 3HB ARG 19 -2.760 2.797 -26.754 170 HG2 ARG 19 2HG ARG 19 -4.294 4.182 -25.456 171 HG3 ARG 19 3HG ARG 19 -2.948 4.734 -24.457 172 HD2 ARG 19 2HD ARG 19 -2.919 5.061 -27.438 173 HD3 ARG 19 3HD ARG 19 -3.726 6.233 -26.396 174 HE ARG 19 HE ARG 19 -1.047 5.709 -25.562 175 HH11 ARG 19 1HH1 ARG 19 -2.986 7.504 -27.828 176 HH12 ARG 19 2HH1 ARG 19 -1.812 8.761 -28.037 177 HH21 ARG 19 1HH2 ARG 19 0.506 7.358 -25.828 178 HH22 ARG 19 2HH2 ARG 19 0.174 8.677 -26.899 179 H LEU 20 H LEU 20 -2.478 0.051 -26.397 180 HA LEU 20 HA LEU 20 0.218 -0.657 -25.490 181 HB2 LEU 20 2HB LEU 20 -2.066 -2.109 -24.813 182 HB3 LEU 20 3HB LEU 20 -1.323 -3.014 -26.129 183 HG LEU 20 HG LEU 20 0.704 -3.289 -24.882 184 HD11 LEU 20 1HD1 LEU 20 -0.428 -1.118 -23.259 185 HD12 LEU 20 2HD1 LEU 20 1.252 -1.523 -23.608 186 HD13 LEU 20 3HD1 LEU 20 0.378 -2.397 -22.351 187 HD21 LEU 20 3HD2 LEU 20 -0.455 -4.206 -22.644 188 HD22 LEU 20 1HD2 LEU 20 -0.550 -5.040 -24.195 189 HD23 LEU 20 2HD2 LEU 20 -1.885 -4.019 -23.661 190 H ALA 21 H ALA 21 1.512 -1.673 -27.039 191 HA ALA 21 HA ALA 21 0.381 -2.026 -29.718 192 HB1 ALA 21 1HB ALA 21 2.092 0.144 -28.933 193 HB2 ALA 21 2HB ALA 21 2.889 -0.857 -30.147 194 HB3 ALA 21 3HB ALA 21 1.305 -0.158 -30.482 195 H GLU 22 H GLU 22 1.297 -3.649 -30.889 196 HA GLU 22 HA GLU 22 2.609 -5.726 -29.652 197 HB2 GLU 22 2HB GLU 22 1.476 -5.926 -31.822 198 HB3 GLU 22 3HB GLU 22 2.747 -4.974 -32.577 199 HG2 GLU 22 2HG GLU 22 4.104 -7.027 -31.309 200 HG3 GLU 22 3HG GLU 22 2.661 -7.797 -31.968 201 H GLY 23 H GLY 23 4.572 -5.911 -28.812 202 HA2 GLY 23 2HA GLY 23 6.942 -5.941 -29.010 203 HA3 GLY 23 3HA GLY 23 6.832 -4.637 -30.183 204 H ASP 24 H ASP 24 4.766 -3.648 -27.936 205 HA ASP 24 HA ASP 24 6.615 -1.765 -26.817 206 HB2 ASP 24 2HB ASP 24 3.672 -2.266 -26.368 207 HB3 ASP 24 3HB ASP 24 4.567 -1.005 -25.525 208 H ILE 25 H ILE 25 7.059 -1.448 -24.583 209 HA ILE 25 HA ILE 25 6.838 -3.914 -22.984 210 HB ILE 25 HB ILE 25 9.024 -1.833 -22.862 211 HG12 ILE 25 2HG1 ILE 25 8.705 -4.354 -24.364 212 HG13 ILE 25 3HG1 ILE 25 9.717 -2.956 -24.710 213 HG21 ILE 25 1HG2 ILE 25 8.429 -2.977 -20.710 214 HG22 ILE 25 2HG2 ILE 25 8.900 -4.497 -21.468 215 HG23 ILE 25 3HG2 ILE 25 10.092 -3.216 -21.247 216 HD11 ILE 25 3HD1 ILE 25 11.228 -3.763 -22.855 217 HD12 ILE 25 1HD1 ILE 25 10.298 -5.261 -22.882 218 HD13 ILE 25 2HD1 ILE 25 11.183 -4.746 -24.319 219 H VAL 26 H VAL 26 5.634 -3.755 -21.220 220 HA VAL 26 HA VAL 26 5.353 -1.119 -19.932 221 HB VAL 26 HB VAL 26 3.048 -1.963 -19.216 222 HG11 VAL 26 1HG1 VAL 26 2.490 -0.389 -20.679 223 HG12 VAL 26 2HG1 VAL 26 3.948 -0.693 -21.625 224 HG13 VAL 26 3HG1 VAL 26 2.481 -1.618 -21.943 225 HG21 VAL 26 3HG2 VAL 26 3.878 -4.282 -20.444 226 HG22 VAL 26 1HG2 VAL 26 2.219 -3.885 -19.997 227 HG23 VAL 26 2HG2 VAL 26 2.792 -3.567 -21.635 228 H PHE 27 H PHE 27 4.692 -1.253 -17.630 229 HA PHE 27 HA PHE 27 5.889 -3.617 -16.341 230 HB2 PHE 27 2HB PHE 27 5.833 -0.762 -15.341 231 HB3 PHE 27 3HB PHE 27 6.530 -2.132 -14.483 232 HD1 PHE 27 HD2 PHE 27 8.387 -3.438 -15.756 233 HD2 PHE 27 HD1 PHE 27 7.172 0.532 -16.696 234 HE1 PHE 27 HE2 PHE 27 10.537 -3.051 -16.888 235 HE2 PHE 27 HE1 PHE 27 9.320 0.924 -17.831 236 HZ PHE 27 HZ PHE 27 11.006 -0.868 -17.927 237 H ILE 28 H ILE 28 4.326 -4.861 -15.549 238 HA ILE 28 HA ILE 28 1.739 -3.885 -14.857 239 HB ILE 28 HB ILE 28 2.853 -6.548 -14.008 240 HG12 ILE 28 2HG1 ILE 28 3.394 -6.311 -16.362 241 HG13 ILE 28 3HG1 ILE 28 2.044 -7.427 -16.187 242 HG21 ILE 28 1HG2 ILE 28 0.432 -7.185 -14.510 243 HG22 ILE 28 2HG2 ILE 28 0.731 -6.202 -13.077 244 HG23 ILE 28 3HG2 ILE 28 0.112 -5.451 -14.548 245 HD11 ILE 28 3HD1 ILE 28 0.681 -5.163 -16.553 246 HD12 ILE 28 1HD1 ILE 28 2.154 -4.757 -17.433 247 HD13 ILE 28 2HD1 ILE 28 1.225 -6.188 -17.881 248 H SER 29 H SER 29 1.612 -2.511 -13.176 249 HA SER 29 HA SER 29 3.239 -2.613 -10.871 250 HB2 SER 29 2HB SER 29 0.693 -1.183 -11.573 251 HB3 SER 29 3HB SER 29 1.320 -1.120 -9.926 252 HG SER 29 HG SER 29 3.185 -0.172 -10.690 253 H TYR 30 H TYR 30 0.003 -3.844 -11.569 254 HA TYR 30 HA TYR 30 0.199 -5.946 -9.704 255 HB2 TYR 30 2HB TYR 30 -1.328 -5.254 -7.987 256 HB3 TYR 30 3HB TYR 30 -0.082 -4.019 -8.122 257 HD1 TYR 30 HD1 TYR 30 -3.603 -4.823 -8.873 258 HD2 TYR 30 HD2 TYR 30 -0.622 -1.789 -8.786 259 HE1 TYR 30 HE1 TYR 30 -5.344 -3.113 -9.178 260 HE2 TYR 30 HE2 TYR 30 -2.355 -0.070 -9.090 261 HH TYR 30 HH TYR 30 -4.526 0.343 -9.271 262 H LYS 31 H LYS 31 -1.570 -7.369 -9.798 263 HA LYS 31 HA LYS 31 -3.144 -7.112 -12.202 264 HB2 LYS 31 2HB LYS 31 -2.303 -9.283 -11.820 265 HB3 LYS 31 3HB LYS 31 -2.810 -9.274 -10.136 266 HG2 LYS 31 2HG LYS 31 -5.079 -9.566 -10.715 267 HG3 LYS 31 3HG LYS 31 -4.766 -9.209 -12.415 268 HD2 LYS 31 2HD LYS 31 -3.623 -11.260 -12.729 269 HD3 LYS 31 3HD LYS 31 -3.537 -11.560 -10.991 270 HE2 LYS 31 2HE LYS 31 -6.230 -11.308 -11.410 271 HE3 LYS 31 3HE LYS 31 -5.695 -12.095 -12.894 272 HZ1 LYS 31 3HZ LYS 31 -4.658 -13.168 -10.391 273 HZ2 LYS 31 1HZ LYS 31 -5.125 -13.973 -11.803 274 HZ3 LYS 31 2HZ LYS 31 -6.297 -13.438 -10.708 275 H HIS 32 H HIS 32 -5.355 -6.923 -12.359 276 HA HIS 32 HA HIS 32 -6.843 -6.475 -9.863 277 HB2 HIS 32 2HB HIS 32 -6.118 -4.338 -11.133 278 HB3 HIS 32 3HB HIS 32 -7.346 -4.797 -12.308 279 HD1 HIS 32 HD1 HIS 32 -7.259 -4.457 -8.508 280 HD2 HIS 32 HD2 HIS 32 -9.661 -3.533 -11.770 281 HE1 HIS 32 HE1 HIS 32 -9.265 -3.279 -7.554 282 H GLY 33 H GLY 33 -9.118 -6.850 -9.994 283 HA2 GLY 33 2HA GLY 33 -9.837 -9.126 -11.455 284 HA3 GLY 33 3HA GLY 33 -10.963 -8.051 -10.638 285 H GLN 34 H GLN 34 -12.168 -8.917 -12.650 286 HA GLN 34 HA GLN 34 -13.246 -8.375 -14.579 287 HB2 GLN 34 2HB GLN 34 -11.722 -5.772 -14.541 288 HB3 GLN 34 3HB GLN 34 -13.259 -6.106 -15.329 289 HG2 GLN 34 2HG GLN 34 -12.824 -6.141 -12.352 290 HG3 GLN 34 3HG GLN 34 -13.464 -4.772 -13.259 291 HE21 GLN 34 1HE2 GLN 34 -15.101 -5.424 -11.435 292 HE22 GLN 34 2HE2 GLN 34 -16.410 -6.413 -11.978 293 H GLY 35 H GLY 35 -10.239 -9.256 -14.380 294 HA2 GLY 35 2HA GLY 35 -8.738 -10.084 -15.914 295 HA3 GLY 35 3HA GLY 35 -9.927 -9.740 -17.162 296 H TRP 36 H TRP 36 -8.735 -7.255 -15.024 297 HA TRP 36 HA TRP 36 -7.167 -6.144 -17.258 298 HB2 TRP 36 2HB TRP 36 -8.988 -4.719 -15.316 299 HB3 TRP 36 3HB TRP 36 -7.810 -3.878 -16.320 300 HD1 TRP 36 HD1 TRP 36 -11.257 -5.367 -16.414 301 HE1 TRP 36 HE1 TRP 36 -12.279 -5.035 -18.753 302 HE3 TRP 36 HE3 TRP 36 -7.082 -3.790 -18.907 303 HZ2 TRP 36 HZ2 TRP 36 -11.427 -4.214 -21.316 304 HZ3 TRP 36 HZ3 TRP 36 -7.270 -3.253 -21.301 305 HH2 TRP 36 HH2 TRP 36 -9.398 -3.461 -22.479 306 H LEU 37 H LEU 37 -5.157 -5.411 -16.809 307 HA LEU 37 HA LEU 37 -4.300 -5.490 -13.990 308 HB2 LEU 37 2HB LEU 37 -2.351 -5.884 -16.201 309 HB3 LEU 37 3HB LEU 37 -2.325 -6.506 -14.552 310 HG LEU 37 HG LEU 37 -3.956 -7.545 -16.866 311 HD11 LEU 37 1HD1 LEU 37 -2.540 -9.621 -15.838 312 HD12 LEU 37 2HD1 LEU 37 -1.415 -8.284 -15.606 313 HD13 LEU 37 3HD1 LEU 37 -2.036 -8.645 -17.217 314 HD21 LEU 37 3HD2 LEU 37 -4.112 -9.295 -14.685 315 HD22 LEU 37 1HD2 LEU 37 -5.411 -8.327 -15.382 316 HD23 LEU 37 2HD2 LEU 37 -4.459 -7.690 -14.041 317 H VAL 38 H VAL 38 -3.342 -3.725 -13.180 318 HA VAL 38 HA VAL 38 -3.182 -1.356 -14.819 319 HB VAL 38 HB VAL 38 -2.356 -1.667 -11.932 320 HG11 VAL 38 1HG1 VAL 38 -2.856 0.769 -11.861 321 HG12 VAL 38 2HG1 VAL 38 -1.499 0.351 -12.910 322 HG13 VAL 38 3HG1 VAL 38 -3.073 0.731 -13.611 323 HG21 VAL 38 3HG2 VAL 38 -5.008 -1.568 -13.187 324 HG22 VAL 38 1HG2 VAL 38 -4.524 -2.154 -11.595 325 HG23 VAL 38 2HG2 VAL 38 -4.773 -0.428 -11.862 326 H ALA 39 H ALA 39 -1.481 -1.104 -16.115 327 HA ALA 39 HA ALA 39 1.199 -1.503 -14.973 328 HB1 ALA 39 1HB ALA 39 0.171 -3.209 -16.822 329 HB2 ALA 39 2HB ALA 39 0.996 -2.037 -17.850 330 HB3 ALA 39 3HB ALA 39 1.891 -2.892 -16.594 331 H GLU 40 H GLU 40 2.904 -0.354 -16.256 332 HA GLU 40 HA GLU 40 1.831 2.178 -17.316 333 HB2 GLU 40 2HB GLU 40 3.726 3.325 -16.416 334 HB3 GLU 40 3HB GLU 40 3.051 2.334 -15.131 335 HG2 GLU 40 2HG GLU 40 4.939 0.704 -16.348 336 HG3 GLU 40 3HG GLU 40 5.688 2.299 -16.297 337 H ASN 41 H ASN 41 3.078 3.231 -18.980 338 HA ASN 41 HA ASN 41 3.937 1.425 -20.998 339 HB2 ASN 41 2HB ASN 41 4.034 3.266 -22.406 340 HB3 ASN 41 3HB ASN 41 2.873 3.809 -21.199 341 HD21 ASN 41 1HD2 ASN 41 4.491 4.488 -19.116 342 HD22 ASN 41 2HD2 ASN 41 5.500 5.817 -19.566 343 H GLU 42 H GLU 42 6.081 2.164 -22.235 344 HA GLU 42 HA GLU 42 8.226 1.284 -20.638 345 HB2 GLU 42 2HB GLU 42 8.063 1.056 -23.128 346 HB3 GLU 42 3HB GLU 42 8.409 2.775 -23.259 347 HG2 GLU 42 2HG GLU 42 10.578 2.455 -22.248 348 HG3 GLU 42 3HG GLU 42 10.233 0.745 -21.991 349 H SER 43 H SER 43 7.212 4.501 -21.679 350 HA SER 43 HA SER 43 9.425 5.973 -20.871 351 HB2 SER 43 2HB SER 43 7.195 6.680 -22.086 352 HB3 SER 43 3HB SER 43 6.677 7.087 -20.450 353 HG SER 43 HG SER 43 8.995 8.062 -21.770 354 H GLY 44 H GLY 44 7.027 4.376 -18.981 355 HA2 GLY 44 2HA GLY 44 6.842 4.077 -16.710 356 HA3 GLY 44 3HA GLY 44 8.444 4.783 -16.565 357 H SER 45 H SER 45 6.292 6.804 -18.206 358 HA SER 45 HA SER 45 5.954 8.428 -15.777 359 HB2 SER 45 2HB SER 45 5.835 9.346 -18.658 360 HB3 SER 45 3HB SER 45 5.838 10.370 -17.222 361 HG SER 45 HG SER 45 7.942 8.650 -18.046 362 H LYS 46 H LYS 46 4.290 6.649 -18.167 363 HA LYS 46 HA LYS 46 1.728 7.826 -17.306 364 HB2 LYS 46 2HB LYS 46 0.950 7.787 -19.424 365 HB3 LYS 46 3HB LYS 46 2.654 7.746 -19.858 366 HG2 LYS 46 2HG LYS 46 2.493 5.244 -19.868 367 HG3 LYS 46 3HG LYS 46 0.747 5.428 -19.686 368 HD2 LYS 46 2HD LYS 46 2.317 6.709 -21.914 369 HD3 LYS 46 3HD LYS 46 1.577 5.113 -22.049 370 HE2 LYS 46 2HE LYS 46 -0.610 6.030 -21.713 371 HE3 LYS 46 3HE LYS 46 0.059 7.615 -21.329 372 HZ1 LYS 46 3HZ LYS 46 -0.860 7.103 -23.697 373 HZ2 LYS 46 1HZ LYS 46 0.668 6.417 -23.938 374 HZ3 LYS 46 2HZ LYS 46 0.531 8.047 -23.509 375 H THR 47 H THR 47 0.245 6.519 -16.405 376 HA THR 47 HA THR 47 0.703 3.612 -16.517 377 HB THR 47 HB THR 47 -0.320 4.993 -14.042 378 HG1 THR 47 HG1 THR 47 1.673 5.453 -13.503 379 HG21 THR 47 3HG2 THR 47 0.603 2.235 -14.754 380 HG22 THR 47 1HG2 THR 47 -0.850 2.738 -13.891 381 HG23 THR 47 2HG2 THR 47 0.719 2.805 -13.089 382 H GLY 48 H GLY 48 -1.170 2.295 -16.286 383 HA2 GLY 48 2HA GLY 48 -3.781 3.307 -15.945 384 HA3 GLY 48 3HA GLY 48 -3.429 3.201 -17.663 385 H LEU 49 H LEU 49 -5.208 1.662 -17.698 386 HA LEU 49 HA LEU 49 -4.583 -0.956 -16.542 387 HB2 LEU 49 2HB LEU 49 -7.104 -0.069 -17.930 388 HB3 LEU 49 3HB LEU 49 -6.868 -1.551 -17.006 389 HG LEU 49 HG LEU 49 -6.526 1.081 -15.640 390 HD11 LEU 49 1HD1 LEU 49 -8.607 1.426 -16.748 391 HD12 LEU 49 2HD1 LEU 49 -8.958 0.999 -15.074 392 HD13 LEU 49 3HD1 LEU 49 -9.156 -0.202 -16.350 393 HD21 LEU 49 3HD2 LEU 49 -7.927 -1.242 -14.459 394 HD22 LEU 49 1HD2 LEU 49 -6.770 -0.124 -13.737 395 HD23 LEU 49 2HD2 LEU 49 -6.202 -1.429 -14.779 396 H VAL 50 H VAL 50 -4.134 -2.721 -17.755 397 HA VAL 50 HA VAL 50 -4.343 -2.497 -20.677 398 HB VAL 50 HB VAL 50 -2.156 -3.367 -21.044 399 HG11 VAL 50 1HG1 VAL 50 -2.604 -0.884 -20.007 400 HG12 VAL 50 2HG1 VAL 50 -1.318 -1.489 -18.961 401 HG13 VAL 50 3HG1 VAL 50 -1.081 -1.429 -20.708 402 HG21 VAL 50 3HG2 VAL 50 -1.940 -3.647 -18.048 403 HG22 VAL 50 1HG2 VAL 50 -2.039 -4.957 -19.225 404 HG23 VAL 50 2HG2 VAL 50 -0.621 -3.910 -19.189 405 HA PRO 51 HA PRO 51 -6.002 -6.561 -20.531 406 HB2 PRO 51 2HB PRO 51 -5.207 -7.525 -22.940 407 HB3 PRO 51 3HB PRO 51 -6.480 -6.311 -22.764 408 HG2 PRO 51 2HG PRO 51 -3.595 -5.943 -23.474 409 HG3 PRO 51 3HG PRO 51 -5.028 -5.174 -24.181 410 HD2 PRO 51 2HD PRO 51 -3.453 -3.928 -22.365 411 HD3 PRO 51 3HD PRO 51 -5.201 -3.636 -22.473 412 H GLU 52 H GLU 52 -5.454 -8.605 -19.915 413 HA GLU 52 HA GLU 52 -2.623 -9.114 -19.459 414 HB2 GLU 52 2HB GLU 52 -4.259 -9.436 -17.626 415 HB3 GLU 52 3HB GLU 52 -5.039 -10.698 -18.569 416 HG2 GLU 52 2HG GLU 52 -2.135 -10.868 -17.867 417 HG3 GLU 52 3HG GLU 52 -3.384 -11.377 -16.732 418 H GLU 53 H GLU 53 -5.241 -10.207 -21.458 419 HA GLU 53 HA GLU 53 -3.827 -12.592 -22.318 420 HB2 GLU 53 2HB GLU 53 -6.522 -11.794 -22.256 421 HB3 GLU 53 3HB GLU 53 -6.102 -11.914 -23.959 422 HG2 GLU 53 2HG GLU 53 -6.757 -14.050 -23.596 423 HG3 GLU 53 3HG GLU 53 -5.053 -14.206 -23.173 424 H PHE 54 H PHE 54 -3.135 -9.581 -22.866 425 HA PHE 54 HA PHE 54 -2.613 -9.961 -25.741 426 HB2 PHE 54 2HB PHE 54 -3.770 -7.700 -24.290 427 HB3 PHE 54 3HB PHE 54 -2.423 -7.238 -25.325 428 HD1 PHE 54 HD1 PHE 54 -4.940 -9.908 -25.872 429 HD2 PHE 54 HD2 PHE 54 -3.450 -6.108 -27.079 430 HE1 PHE 54 HE1 PHE 54 -6.434 -9.947 -27.827 431 HE2 PHE 54 HE2 PHE 54 -4.942 -6.140 -29.035 432 HZ PHE 54 HZ PHE 54 -6.438 -8.061 -29.410 433 H VAL 55 H VAL 55 -1.292 -9.578 -22.666 434 HA VAL 55 HA VAL 55 1.319 -8.810 -23.802 435 HB VAL 55 HB VAL 55 1.927 -8.091 -21.484 436 HG11 VAL 55 1HG1 VAL 55 -0.429 -6.441 -22.125 437 HG12 VAL 55 2HG1 VAL 55 1.263 -5.980 -21.929 438 HG13 VAL 55 3HG1 VAL 55 0.712 -6.697 -23.444 439 HG21 VAL 55 3HG2 VAL 55 0.007 -7.608 -19.947 440 HG22 VAL 55 1HG2 VAL 55 -1.005 -8.590 -21.007 441 HG23 VAL 55 2HG2 VAL 55 0.363 -9.321 -20.167 442 H SER 56 H SER 56 3.194 -9.674 -22.471 443 HA SER 56 HA SER 56 2.639 -12.321 -21.341 444 HB2 SER 56 2HB SER 56 3.202 -12.730 -23.681 445 HB3 SER 56 3HB SER 56 4.673 -11.771 -23.517 446 HG SER 56 HG SER 56 4.562 -14.287 -23.205 447 H TYR 57 H TYR 57 3.496 -12.358 -19.382 448 HA TYR 57 HA TYR 57 5.201 -10.488 -18.285 449 HB2 TYR 57 2HB TYR 57 4.376 -13.245 -17.552 450 HB3 TYR 57 3HB TYR 57 5.793 -12.596 -16.733 451 HD1 TYR 57 HD1 TYR 57 2.706 -10.826 -17.830 452 HD2 TYR 57 HD2 TYR 57 5.064 -12.178 -14.557 453 HE1 TYR 57 HE1 TYR 57 1.241 -9.603 -16.278 454 HE2 TYR 57 HE2 TYR 57 3.605 -10.960 -12.996 455 HH TYR 57 HH TYR 57 1.359 -10.063 -12.893 456 H ILE 58 H ILE 58 7.351 -10.170 -18.209 457 HA ILE 58 HA ILE 58 9.029 -12.003 -19.776 458 HB ILE 58 HB ILE 58 9.655 -9.171 -18.935 459 HG12 ILE 58 2HG1 ILE 58 8.769 -10.173 -21.648 460 HG13 ILE 58 3HG1 ILE 58 7.708 -9.365 -20.499 461 HG21 ILE 58 1HG2 ILE 58 11.057 -11.205 -20.623 462 HG22 ILE 58 2HG2 ILE 58 11.303 -9.483 -20.906 463 HG23 ILE 58 3HG2 ILE 58 11.701 -10.185 -19.338 464 HD11 ILE 58 3HD1 ILE 58 9.651 -8.256 -22.347 465 HD12 ILE 58 1HD1 ILE 58 8.279 -7.492 -21.546 466 HD13 ILE 58 2HD1 ILE 58 9.824 -7.631 -20.707 467 H GLN 59 H GLN 59 10.991 -12.761 -18.983 468 HA GLN 59 HA GLN 59 11.524 -12.281 -16.132 469 HB2 GLN 59 2HB GLN 59 10.910 -14.817 -17.486 470 HB3 GLN 59 3HB GLN 59 12.339 -14.870 -16.462 471 HG2 GLN 59 2HG GLN 59 11.152 -14.671 -14.557 472 HG3 GLN 59 3HG GLN 59 9.950 -13.607 -15.287 473 HE21 GLN 59 1HE2 GLN 59 9.685 -16.011 -13.583 474 HE22 GLN 59 2HE2 GLN 59 8.654 -17.082 -14.463 475 HA PRO 60 HA PRO 60 15.743 -11.747 -17.201 476 HB2 PRO 60 2HB PRO 60 17.032 -12.918 -15.118 477 HB3 PRO 60 3HB PRO 60 16.166 -11.383 -14.973 478 HG2 PRO 60 2HG PRO 60 15.275 -14.140 -14.219 479 HG3 PRO 60 3HG PRO 60 15.081 -12.619 -13.329 480 HD2 PRO 60 2HD PRO 60 13.082 -13.719 -14.787 481 HD3 PRO 60 3HD PRO 60 13.269 -11.964 -14.593 482 H GLU 61 H GLU 61 15.190 -15.041 -15.939 483 HA GLU 61 HA GLU 61 16.363 -16.185 -18.323 484 HB2 GLU 61 2HB GLU 61 17.678 -16.397 -15.622 485 HB3 GLU 61 3HB GLU 61 17.928 -17.610 -16.870 486 HG2 GLU 61 2HG GLU 61 18.668 -15.722 -18.376 487 HG3 GLU 61 3HG GLU 61 18.680 -14.705 -16.936 488 H LEU 62 H LEU 62 13.810 -16.171 -16.777 489 HA LEU 62 HA LEU 62 13.579 -19.070 -16.302 490 HB2 LEU 62 2HB LEU 62 11.621 -17.071 -15.247 491 HB3 LEU 62 3HB LEU 62 11.971 -18.698 -14.667 492 HG LEU 62 HG LEU 62 13.693 -16.247 -14.304 493 HD11 LEU 62 1HD1 LEU 62 13.225 -16.840 -11.866 494 HD12 LEU 62 2HD1 LEU 62 11.908 -17.833 -12.488 495 HD13 LEU 62 3HD1 LEU 62 11.919 -16.096 -12.788 496 HD21 LEU 62 3HD2 LEU 62 15.407 -17.639 -14.064 497 HD22 LEU 62 1HD2 LEU 62 14.362 -19.046 -14.261 498 HD23 LEU 62 2HD2 LEU 62 14.582 -18.328 -12.665 499 H GLU 63 H GLU 63 12.042 -20.210 -17.373 500 HA GLU 63 HA GLU 63 11.047 -19.303 -19.800 501 HB2 GLU 63 2HB GLU 63 9.822 -21.330 -19.932 502 HB3 GLU 63 3HB GLU 63 11.285 -21.700 -19.029 503 HG2 GLU 63 2HG GLU 63 8.594 -21.151 -17.799 504 HG3 GLU 63 3HG GLU 63 9.270 -22.753 -18.088 505 H1 GLY -9 H GLY -9 -2.822 5.180 -10.380 506 HA2 GLY -9 2HA GLY -9 -4.036 7.214 -10.357 507 HA3 GLY -9 3HA GLY -9 -4.171 6.674 -12.024 508 H LYS -8 H LYS -8 -5.747 5.366 -9.133 509 HA LYS -8 HA LYS -8 -7.939 5.019 -8.630 510 HB2 LYS -8 2HB LYS -8 -8.015 7.685 -10.008 511 HB3 LYS -8 3HB LYS -8 -9.506 6.917 -9.480 512 HG2 LYS -8 2HG LYS -8 -7.370 7.052 -7.462 513 HG3 LYS -8 3HG LYS -8 -8.052 8.600 -7.964 514 HD2 LYS -8 2HD LYS -8 -9.344 7.882 -6.118 515 HD3 LYS -8 3HD LYS -8 -10.332 7.580 -7.550 516 HE2 LYS -8 2HE LYS -8 -10.462 5.683 -6.061 517 HE3 LYS -8 3HE LYS -8 -9.592 5.226 -7.524 518 HZ1 LYS -8 3HZ LYS -8 -7.732 4.828 -6.379 519 HZ2 LYS -8 1HZ LYS -8 -8.728 4.782 -5.013 520 HZ3 LYS -8 2HZ LYS -8 -7.899 6.202 -5.407 521 H PHE -7 H PHE -7 -6.887 3.778 -11.007 522 HA PHE -7 HA PHE -7 -8.742 3.929 -13.144 523 HB2 PHE -7 2HB PHE -7 -7.035 1.530 -12.496 524 HB3 PHE -7 3HB PHE -7 -7.601 2.066 -14.075 525 HD1 PHE -7 HD2 PHE -7 -6.911 4.829 -14.229 526 HD2 PHE -7 HD1 PHE -7 -4.746 1.637 -12.430 527 HE1 PHE -7 HE2 PHE -7 -4.813 6.071 -14.560 528 HE2 PHE -7 HE1 PHE -7 -2.644 2.874 -12.757 529 HZ PHE -7 HZ PHE -7 -2.676 5.093 -13.824 530 H ILE -6 H ILE -6 -10.462 2.612 -13.690 531 HA ILE -6 HA ILE -6 -11.270 0.449 -11.952 532 HB ILE -6 HB ILE -6 -12.225 2.230 -10.680 533 HG12 ILE -6 2HG1 ILE -6 -14.587 1.369 -12.305 534 HG13 ILE -6 3HG1 ILE -6 -13.645 0.152 -11.451 535 HG21 ILE -6 1HG2 ILE -6 -12.567 4.183 -11.690 536 HG22 ILE -6 2HG2 ILE -6 -12.620 3.426 -13.282 537 HG23 ILE -6 3HG2 ILE -6 -14.081 3.512 -12.298 538 HD11 ILE -6 3HD1 ILE -6 -15.746 1.391 -10.383 539 HD12 ILE -6 1HD1 ILE -6 -14.383 0.813 -9.426 540 HD13 ILE -6 2HD1 ILE -6 -14.478 2.512 -9.889 541 HA PRO -5 HA PRO -5 -12.408 -0.186 -16.360 542 HB2 PRO -5 2HB PRO -5 -11.795 -2.830 -16.351 543 HB3 PRO -5 3HB PRO -5 -10.591 -1.566 -16.628 544 HG2 PRO -5 2HG PRO -5 -11.207 -3.080 -14.119 545 HG3 PRO -5 3HG PRO -5 -9.630 -2.650 -14.809 546 HD2 PRO -5 2HD PRO -5 -10.754 -1.268 -12.770 547 HD3 PRO -5 3HD PRO -5 -9.717 -0.499 -13.987 548 H SER -4 H SER -4 -14.432 -0.646 -16.957 549 HA SER -4 HA SER -4 -15.980 -2.567 -15.353 550 HB2 SER -4 2HB SER -4 -16.468 0.009 -15.047 551 HB3 SER -4 3HB SER -4 -17.350 -0.195 -16.560 552 HG SER -4 HG SER -4 -17.959 -1.082 -14.030 553 H ARG -3 H ARG -3 -15.003 -3.792 -17.306 554 HA ARG -3 HA ARG -3 -17.091 -4.489 -19.034 555 HB2 ARG -3 2HB ARG -3 -16.080 -3.720 -21.197 556 HB3 ARG -3 3HB ARG -3 -16.736 -2.430 -20.198 557 HG2 ARG -3 2HG ARG -3 -14.336 -2.146 -19.338 558 HG3 ARG -3 3HG ARG -3 -13.873 -3.115 -20.738 559 HD2 ARG -3 2HD ARG -3 -15.263 -0.448 -20.697 560 HD3 ARG -3 3HD ARG -3 -13.693 -0.846 -21.395 561 HE ARG -3 HE ARG -3 -16.248 -1.150 -22.632 562 HH11 ARG -3 1HH1 ARG -3 -13.029 -2.467 -22.472 563 HH12 ARG -3 2HH1 ARG -3 -13.082 -3.135 -24.070 564 HH21 ARG -3 1HH2 ARG -3 -16.330 -2.024 -24.737 565 HH22 ARG -3 2HH2 ARG -3 -14.960 -2.882 -25.357 566 HA PRO -2 HA PRO -2 -14.532 -8.023 -19.509 567 HB2 PRO -2 2HB PRO -2 -15.407 -9.001 -21.885 568 HB3 PRO -2 3HB PRO -2 -16.364 -9.084 -20.401 569 HG2 PRO -2 2HG PRO -2 -16.551 -7.138 -22.669 570 HG3 PRO -2 3HG PRO -2 -17.854 -7.951 -21.781 571 HD2 PRO -2 2HD PRO -2 -17.126 -5.391 -21.282 572 HD3 PRO -2 3HD PRO -2 -17.743 -6.472 -20.016 573 H ALA -1 H ALA -1 -12.466 -8.240 -20.081 574 HA ALA -1 HA ALA -1 -11.150 -6.485 -21.831 575 HB1 ALA -1 1HB ALA -1 -9.298 -8.294 -21.668 576 HB2 ALA -1 2HB ALA -1 -9.772 -7.408 -20.218 577 HB3 ALA -1 3HB ALA -1 -10.376 -9.043 -20.489 578 HA PRO 0 HA PRO 0 -11.614 -8.212 -25.838 579 HB2 PRO 0 2HB PRO 0 -9.164 -7.776 -26.922 580 HB3 PRO 0 3HB PRO 0 -10.324 -6.478 -26.618 581 HG2 PRO 0 2HG PRO 0 -7.963 -7.328 -24.987 582 HG3 PRO 0 3HG PRO 0 -8.508 -5.691 -25.399 583 HD2 PRO 0 2HD PRO 0 -9.007 -6.831 -22.994 584 HD3 PRO 0 3HD PRO 0 -10.124 -5.680 -23.755 585 H LYS 1 H LYS 1 -10.237 -9.622 -27.491 586 HA LYS 1 HA LYS 1 -8.972 -11.836 -26.026 587 HB2 LYS 1 2HB LYS 1 -11.236 -12.545 -26.472 588 HB3 LYS 1 3HB LYS 1 -11.106 -12.051 -28.155 589 HG2 LYS 1 2HG LYS 1 -9.304 -13.770 -28.425 590 HG3 LYS 1 3HG LYS 1 -9.700 -14.339 -26.802 591 HD2 LYS 1 2HD LYS 1 -12.000 -14.779 -27.521 592 HD3 LYS 1 3HD LYS 1 -11.601 -14.210 -29.144 593 HE2 LYS 1 2HE LYS 1 -11.385 -16.489 -29.392 594 HE3 LYS 1 3HE LYS 1 -9.729 -16.023 -29.008 595 HZ1 LYS 1 3HZ LYS 1 -11.729 -17.265 -27.212 596 HZ2 LYS 1 1HZ LYS 1 -10.310 -16.547 -26.634 597 HZ3 LYS 1 2HZ LYS 1 -10.221 -17.877 -27.675 598 HA PRO 2 HA PRO 2 -5.815 -11.360 -29.072 599 HB2 PRO 2 2HB PRO 2 -4.543 -13.725 -28.676 600 HB3 PRO 2 3HB PRO 2 -4.418 -12.367 -27.551 601 HG2 PRO 2 2HG PRO 2 -6.142 -14.810 -27.390 602 HG3 PRO 2 3HG PRO 2 -5.203 -14.017 -26.112 603 HD2 PRO 2 2HD PRO 2 -7.874 -13.670 -26.385 604 HD3 PRO 2 3HD PRO 2 -6.804 -12.395 -25.767 605 HA PRO 3 HA PRO 3 -7.040 -13.472 -32.731 606 HB2 PRO 3 2HB PRO 3 -4.677 -13.693 -34.050 607 HB3 PRO 3 3HB PRO 3 -5.532 -12.157 -33.862 608 HG2 PRO 3 2HG PRO 3 -3.218 -13.241 -32.301 609 HG3 PRO 3 3HG PRO 3 -3.482 -11.599 -32.916 610 HD2 PRO 3 2HD PRO 3 -3.936 -12.279 -30.335 611 HD3 PRO 3 3HD PRO 3 -4.887 -11.038 -31.177 612 H SER 4 H SER 4 -7.719 -15.512 -32.190 613 HA SER 4 HA SER 4 -6.150 -17.597 -31.211 614 HB2 SER 4 2HB SER 4 -7.978 -19.058 -31.766 615 HB3 SER 4 3HB SER 4 -8.666 -17.516 -31.256 616 HG SER 4 HG SER 4 -9.340 -18.683 -33.369 617 H SER 5 H SER 5 -4.462 -18.545 -32.121 618 HA SER 5 HA SER 5 -4.062 -18.451 -34.983 619 HB2 SER 5 2HB SER 5 -1.942 -19.796 -34.292 620 HB3 SER 5 3HB SER 5 -2.061 -18.099 -33.828 621 HG SER 5 HG SER 5 -2.817 -20.268 -32.161 622 H ALA 6 H ALA 6 -3.015 -20.622 -35.877 623 HA ALA 6 HA ALA 6 -4.994 -22.739 -35.353 624 HB1 ALA 6 1HB ALA 6 -3.649 -21.806 -37.843 625 HB2 ALA 6 2HB ALA 6 -4.151 -23.492 -37.717 626 HB3 ALA 6 3HB ALA 6 -5.343 -22.203 -37.557 Start of MODEL 9 1 H1 MET -4 H MET -4 5.406 -4.747 -0.185 2 HA MET -4 HA MET -4 3.312 -2.867 0.272 3 HB2 MET -4 2HB MET -4 5.432 -3.157 -1.840 4 HB3 MET -4 3HB MET -4 4.195 -1.912 -1.955 5 HG2 MET -4 2HG MET -4 5.917 -0.786 -0.940 6 HG3 MET -4 3HG MET -4 4.948 -1.293 0.442 7 HE1 MET -4 3HE MET -4 8.434 -0.707 -0.389 8 HE2 MET -4 1HE MET -4 9.257 -2.267 -0.431 9 HE3 MET -4 2HE MET -4 8.098 -1.848 -1.693 10 H ALA -3 H ALA -3 1.915 -2.105 -1.601 11 HA ALA -3 HA ALA -3 0.315 -4.320 -2.475 12 HB1 ALA -3 1HB ALA -3 -0.699 -2.133 -3.772 13 HB2 ALA -3 2HB ALA -3 -1.169 -2.677 -2.162 14 HB3 ALA -3 3HB ALA -3 0.050 -1.416 -2.345 15 H ILE -2 H ILE -2 2.696 -2.210 -3.913 16 HA ILE -2 HA ILE -2 2.102 -3.086 -6.610 17 HB ILE -2 HB ILE -2 4.369 -1.378 -5.578 18 HG12 ILE -2 2HG1 ILE -2 2.889 0.344 -6.949 19 HG13 ILE -2 3HG1 ILE -2 1.605 -0.793 -6.549 20 HG21 ILE -2 1HG2 ILE -2 4.711 -0.761 -7.918 21 HG22 ILE -2 2HG2 ILE -2 4.936 -2.491 -7.670 22 HG23 ILE -2 3HG2 ILE -2 3.448 -1.892 -8.403 23 HD11 ILE -2 3HD1 ILE -2 1.655 -0.281 -4.338 24 HD12 ILE -2 1HD1 ILE -2 3.371 0.126 -4.354 25 HD13 ILE -2 2HD1 ILE -2 2.189 1.262 -5.006 26 H VAL -1 H VAL -1 2.978 -4.787 -7.587 27 HA VAL -1 HA VAL -1 4.964 -6.371 -6.200 28 HB VAL -1 HB VAL -1 3.065 -7.475 -7.304 29 HG11 VAL -1 1HG1 VAL -1 3.355 -5.704 -9.300 30 HG12 VAL -1 2HG1 VAL -1 4.196 -7.087 -10.004 31 HG13 VAL -1 3HG1 VAL -1 2.517 -7.245 -9.486 32 HG21 VAL -1 3HG2 VAL -1 5.599 -8.346 -7.187 33 HG22 VAL -1 1HG2 VAL -1 4.276 -9.310 -7.844 34 HG23 VAL -1 2HG2 VAL -1 5.344 -8.422 -8.930 35 H ASN 1 H ASN 1 4.813 -4.176 -8.889 36 HA ASN 1 HA ASN 1 6.407 -3.285 -10.244 37 HB2 ASN 1 2HB ASN 1 8.428 -4.478 -8.339 38 HB3 ASN 1 3HB ASN 1 8.652 -3.097 -9.409 39 HD21 ASN 1 1HD2 ASN 1 7.369 -1.183 -8.970 40 HD22 ASN 1 2HD2 ASN 1 6.940 -0.815 -7.337 41 H GLN 2 H GLN 2 5.466 -5.307 -11.468 42 HA GLN 2 HA GLN 2 7.758 -6.958 -12.308 43 HB2 GLN 2 2HB GLN 2 5.928 -8.215 -11.142 44 HB3 GLN 2 3HB GLN 2 4.845 -7.747 -12.447 45 HG2 GLN 2 2HG GLN 2 5.611 -9.971 -12.848 46 HG3 GLN 2 3HG GLN 2 6.341 -8.900 -14.043 47 HE21 GLN 2 1HE2 GLN 2 7.988 -10.408 -14.416 48 HE22 GLN 2 2HE2 GLN 2 9.288 -10.624 -13.299 49 H ARG 3 H ARG 3 8.369 -6.760 -14.360 50 HA ARG 3 HA ARG 3 6.915 -5.003 -16.119 51 HB2 ARG 3 2HB ARG 3 8.797 -5.125 -17.558 52 HB3 ARG 3 3HB ARG 3 9.436 -5.106 -15.920 53 HG2 ARG 3 2HG ARG 3 9.198 -7.775 -16.372 54 HG3 ARG 3 3HG ARG 3 9.596 -7.173 -17.983 55 HD2 ARG 3 2HD ARG 3 11.697 -7.503 -17.127 56 HD3 ARG 3 3HD ARG 3 11.425 -5.819 -16.679 57 HE ARG 3 HE ARG 3 10.521 -7.407 -14.578 58 HH11 ARG 3 1HH1 ARG 3 13.514 -6.648 -16.185 59 HH12 ARG 3 2HH1 ARG 3 14.487 -6.902 -14.774 60 HH21 ARG 3 1HH2 ARG 3 11.791 -7.745 -12.714 61 HH22 ARG 3 2HH2 ARG 3 13.506 -7.528 -12.801 62 H ALA 4 H ALA 4 6.410 -5.603 -18.363 63 HA ALA 4 HA ALA 4 6.031 -8.408 -18.954 64 HB1 ALA 4 1HB ALA 4 3.921 -8.587 -18.299 65 HB2 ALA 4 2HB ALA 4 3.915 -6.904 -17.771 66 HB3 ALA 4 3HB ALA 4 3.475 -7.309 -19.430 67 H VAL 5 H VAL 5 5.408 -8.794 -21.148 68 HA VAL 5 HA VAL 5 6.035 -6.521 -22.902 69 HB VAL 5 HB VAL 5 7.478 -8.549 -23.067 70 HG11 VAL 5 1HG1 VAL 5 5.045 -9.904 -23.001 71 HG12 VAL 5 2HG1 VAL 5 5.644 -10.118 -24.647 72 HG13 VAL 5 3HG1 VAL 5 6.642 -10.599 -23.275 73 HG21 VAL 5 3HG2 VAL 5 7.557 -8.578 -25.466 74 HG22 VAL 5 1HG2 VAL 5 5.890 -8.014 -25.572 75 HG23 VAL 5 2HG2 VAL 5 7.144 -6.945 -24.943 76 H ALA 6 H ALA 6 4.789 -6.107 -24.754 77 HA ALA 6 HA ALA 6 1.988 -6.812 -24.458 78 HB1 ALA 6 1HB ALA 6 2.048 -4.597 -24.957 79 HB2 ALA 6 2HB ALA 6 3.512 -4.741 -25.931 80 HB3 ALA 6 3HB ALA 6 1.956 -5.234 -26.600 81 H LEU 7 H LEU 7 1.335 -8.679 -25.306 82 HA LEU 7 HA LEU 7 2.678 -9.956 -27.483 83 HB2 LEU 7 2HB LEU 7 -0.054 -10.663 -26.461 84 HB3 LEU 7 3HB LEU 7 1.138 -11.717 -27.218 85 HG LEU 7 HG LEU 7 1.405 -10.491 -24.473 86 HD11 LEU 7 1HD1 LEU 7 1.004 -13.401 -24.985 87 HD12 LEU 7 2HD1 LEU 7 -0.392 -12.324 -24.953 88 HD13 LEU 7 3HD1 LEU 7 0.655 -12.451 -23.540 89 HD21 LEU 7 3HD2 LEU 7 3.525 -11.141 -24.531 90 HD22 LEU 7 1HD2 LEU 7 3.322 -11.606 -26.221 91 HD23 LEU 7 2HD2 LEU 7 3.035 -12.786 -24.942 92 H TYR 8 H TYR 8 -0.280 -8.082 -27.117 93 HA TYR 8 HA TYR 8 -0.384 -7.774 -30.023 94 HB2 TYR 8 2HB TYR 8 -2.938 -8.282 -28.527 95 HB3 TYR 8 3HB TYR 8 -2.622 -8.411 -30.254 96 HD1 TYR 8 HD2 TYR 8 -1.041 -10.301 -31.014 97 HD2 TYR 8 HD1 TYR 8 -2.883 -10.186 -27.181 98 HE1 TYR 8 HE2 TYR 8 -0.671 -12.720 -30.770 99 HE2 TYR 8 HE1 TYR 8 -2.517 -12.604 -26.925 100 HH TYR 8 HH TYR 8 -2.197 -14.592 -28.483 101 H ASP 9 H ASP 9 -1.576 -5.917 -30.724 102 HA ASP 9 HA ASP 9 -1.339 -3.712 -28.890 103 HB2 ASP 9 2HB ASP 9 -2.177 -2.377 -30.866 104 HB3 ASP 9 3HB ASP 9 -0.692 -3.283 -31.146 105 H PHE 10 H PHE 10 -2.931 -2.583 -27.896 106 HA PHE 10 HA PHE 10 -5.719 -3.267 -28.481 107 HB2 PHE 10 2HB PHE 10 -5.480 -4.663 -26.648 108 HB3 PHE 10 3HB PHE 10 -4.297 -3.615 -25.873 109 HD1 PHE 10 HD1 PHE 10 -7.895 -3.920 -26.699 110 HD2 PHE 10 HD2 PHE 10 -4.948 -2.068 -24.249 111 HE1 PHE 10 HE1 PHE 10 -9.671 -2.971 -25.285 112 HE2 PHE 10 HE2 PHE 10 -6.719 -1.116 -22.831 113 HZ PHE 10 HZ PHE 10 -9.084 -1.568 -23.347 114 H GLU 11 H GLU 11 -7.203 -1.639 -28.070 115 HA GLU 11 HA GLU 11 -6.026 0.975 -27.388 116 HB2 GLU 11 2HB GLU 11 -6.784 0.841 -29.715 117 HB3 GLU 11 3HB GLU 11 -8.387 0.363 -29.174 118 HG2 GLU 11 2HG GLU 11 -8.332 2.604 -27.869 119 HG3 GLU 11 3HG GLU 11 -7.050 3.024 -29.004 120 HA PRO 12 HA PRO 12 -8.698 1.016 -23.874 121 HB2 PRO 12 2HB PRO 12 -8.502 3.662 -23.295 122 HB3 PRO 12 3HB PRO 12 -7.207 2.506 -22.961 123 HG2 PRO 12 2HG PRO 12 -7.503 4.409 -25.253 124 HG3 PRO 12 3HG PRO 12 -6.060 4.026 -24.297 125 HD2 PRO 12 2HD PRO 12 -6.510 2.959 -26.744 126 HD3 PRO 12 3HD PRO 12 -5.648 2.082 -25.464 127 H GLU 13 H GLU 13 -10.772 1.683 -23.268 128 HA GLU 13 HA GLU 13 -12.290 3.085 -25.370 129 HB2 GLU 13 2HB GLU 13 -12.983 0.780 -25.257 130 HB3 GLU 13 3HB GLU 13 -13.158 0.869 -23.510 131 HG2 GLU 13 2HG GLU 13 -15.326 0.928 -24.521 132 HG3 GLU 13 3HG GLU 13 -14.981 2.503 -23.808 133 H ASN 14 H ASN 14 -11.407 2.990 -22.058 134 HA ASN 14 HA ASN 14 -13.441 5.003 -21.384 135 HB2 ASN 14 2HB ASN 14 -11.749 3.221 -19.622 136 HB3 ASN 14 3HB ASN 14 -12.787 4.504 -19.006 137 HD21 ASN 14 1HD2 ASN 14 -12.818 1.563 -20.958 138 HD22 ASN 14 2HD2 ASN 14 -14.420 1.082 -20.527 139 H ASP 15 H ASP 15 -12.545 6.549 -19.574 140 HA ASP 15 HA ASP 15 -10.223 7.861 -20.755 141 HB2 ASP 15 2HB ASP 15 -12.445 8.714 -18.945 142 HB3 ASP 15 3HB ASP 15 -10.937 9.624 -18.921 143 H ASN 16 H ASN 16 -10.143 5.410 -18.979 144 HA ASN 16 HA ASN 16 -8.042 6.411 -17.206 145 HB2 ASN 16 2HB ASN 16 -8.990 4.652 -15.499 146 HB3 ASN 16 3HB ASN 16 -9.675 6.273 -15.572 147 HD21 ASN 16 1HD2 ASN 16 -10.282 2.962 -15.805 148 HD22 ASN 16 2HD2 ASN 16 -11.929 3.049 -16.318 149 H GLU 17 H GLU 17 -8.586 4.622 -19.716 150 HA GLU 17 HA GLU 17 -7.150 2.227 -18.817 151 HB2 GLU 17 2HB GLU 17 -8.875 2.847 -21.185 152 HB3 GLU 17 3HB GLU 17 -7.703 1.541 -21.286 153 HG2 GLU 17 2HG GLU 17 -9.468 1.556 -18.919 154 HG3 GLU 17 3HG GLU 17 -10.218 1.192 -20.472 155 H LEU 18 H LEU 18 -5.349 1.438 -20.065 156 HA LEU 18 HA LEU 18 -3.809 3.629 -21.282 157 HB2 LEU 18 2HB LEU 18 -2.717 2.789 -19.343 158 HB3 LEU 18 3HB LEU 18 -2.949 1.121 -19.860 159 HG LEU 18 HG LEU 18 -1.328 1.422 -21.643 160 HD11 LEU 18 1HD1 LEU 18 -0.862 3.427 -22.457 161 HD12 LEU 18 2HD1 LEU 18 -0.128 3.886 -20.920 162 HD13 LEU 18 3HD1 LEU 18 -1.845 4.178 -21.199 163 HD21 LEU 18 3HD2 LEU 18 0.253 2.577 -19.479 164 HD22 LEU 18 1HD2 LEU 18 0.381 1.003 -20.265 165 HD23 LEU 18 2HD2 LEU 18 -0.783 1.246 -18.963 166 H ARG 19 H ARG 19 -2.751 3.331 -23.230 167 HA ARG 19 HA ARG 19 -3.924 1.355 -24.973 168 HB2 ARG 19 2HB ARG 19 -1.743 3.342 -25.618 169 HB3 ARG 19 3HB ARG 19 -2.786 2.501 -26.757 170 HG2 ARG 19 2HG ARG 19 -4.513 3.917 -26.434 171 HG3 ARG 19 3HG ARG 19 -4.143 4.152 -24.725 172 HD2 ARG 19 2HD ARG 19 -3.820 6.161 -26.231 173 HD3 ARG 19 3HD ARG 19 -2.454 5.726 -25.204 174 HE ARG 19 HE ARG 19 -2.263 4.510 -27.769 175 HH11 ARG 19 1HH1 ARG 19 -1.801 7.513 -26.069 176 HH12 ARG 19 2HH1 ARG 19 -0.600 8.102 -27.171 177 HH21 ARG 19 1HH2 ARG 19 -0.684 5.274 -29.226 178 HH22 ARG 19 2HH2 ARG 19 0.034 6.828 -28.967 179 H LEU 20 H LEU 20 -2.737 -0.159 -26.240 180 HA LEU 20 HA LEU 20 -0.042 -0.807 -25.294 181 HB2 LEU 20 2HB LEU 20 -2.287 -2.201 -24.464 182 HB3 LEU 20 3HB LEU 20 -1.635 -3.186 -25.773 183 HG LEU 20 HG LEU 20 0.446 -3.456 -24.622 184 HD11 LEU 20 1HD1 LEU 20 1.129 -1.672 -23.452 185 HD12 LEU 20 2HD1 LEU 20 0.246 -2.414 -22.118 186 HD13 LEU 20 3HD1 LEU 20 -0.518 -1.155 -23.088 187 HD21 LEU 20 3HD2 LEU 20 -0.646 -4.192 -22.264 188 HD22 LEU 20 1HD2 LEU 20 -0.768 -5.138 -23.747 189 HD23 LEU 20 2HD2 LEU 20 -2.092 -4.076 -23.268 190 H ALA 21 H ALA 21 1.245 -1.929 -26.778 191 HA ALA 21 HA ALA 21 0.101 -2.446 -29.425 192 HB1 ALA 21 1HB ALA 21 0.974 -0.544 -30.202 193 HB2 ALA 21 2HB ALA 21 1.968 -0.309 -28.763 194 HB3 ALA 21 3HB ALA 21 2.536 -1.352 -30.066 195 H GLU 22 H GLU 22 0.957 -4.181 -30.452 196 HA GLU 22 HA GLU 22 2.303 -6.153 -29.081 197 HB2 GLU 22 2HB GLU 22 1.089 -6.529 -31.186 198 HB3 GLU 22 3HB GLU 22 2.344 -5.665 -32.064 199 HG2 GLU 22 2HG GLU 22 3.666 -7.654 -30.606 200 HG3 GLU 22 3HG GLU 22 2.232 -8.420 -31.287 201 H GLY 23 H GLY 23 4.297 -6.283 -28.306 202 HA2 GLY 23 2HA GLY 23 6.657 -6.342 -28.578 203 HA3 GLY 23 3HA GLY 23 6.510 -5.153 -29.864 204 H ASP 24 H ASP 24 4.529 -3.969 -27.618 205 HA ASP 24 HA ASP 24 6.479 -2.044 -26.709 206 HB2 ASP 24 2HB ASP 24 3.506 -2.303 -26.228 207 HB3 ASP 24 3HB ASP 24 4.490 -0.985 -25.598 208 H ILE 25 H ILE 25 7.051 -1.619 -24.570 209 HA ILE 25 HA ILE 25 6.752 -3.920 -22.776 210 HB ILE 25 HB ILE 25 8.705 -1.620 -22.637 211 HG12 ILE 25 2HG1 ILE 25 8.833 -3.495 -24.492 212 HG13 ILE 25 3HG1 ILE 25 10.286 -2.952 -23.659 213 HG21 ILE 25 1HG2 ILE 25 8.514 -2.304 -20.440 214 HG22 ILE 25 2HG2 ILE 25 8.200 -3.981 -20.880 215 HG23 ILE 25 3HG2 ILE 25 9.829 -3.323 -21.024 216 HD11 ILE 25 3HD1 ILE 25 9.852 -5.480 -23.969 217 HD12 ILE 25 1HD1 ILE 25 10.455 -4.887 -22.421 218 HD13 ILE 25 2HD1 ILE 25 8.746 -5.281 -22.610 219 H VAL 26 H VAL 26 5.968 -3.731 -20.709 220 HA VAL 26 HA VAL 26 5.155 -1.103 -19.732 221 HB VAL 26 HB VAL 26 2.903 -2.210 -19.063 222 HG11 VAL 26 1HG1 VAL 26 2.964 -0.313 -20.505 223 HG12 VAL 26 2HG1 VAL 26 3.551 -1.284 -21.856 224 HG13 VAL 26 3HG1 VAL 26 1.908 -1.510 -21.255 225 HG21 VAL 26 3HG2 VAL 26 3.669 -3.894 -21.447 226 HG22 VAL 26 1HG2 VAL 26 3.466 -4.466 -19.791 227 HG23 VAL 26 2HG2 VAL 26 2.078 -3.850 -20.687 228 H PHE 27 H PHE 27 4.552 -1.113 -17.464 229 HA PHE 27 HA PHE 27 5.733 -3.389 -16.011 230 HB2 PHE 27 2HB PHE 27 5.689 -0.470 -15.213 231 HB3 PHE 27 3HB PHE 27 6.358 -1.781 -14.247 232 HD1 PHE 27 HD2 PHE 27 8.146 -3.257 -15.549 233 HD2 PHE 27 HD1 PHE 27 7.135 0.771 -16.480 234 HE1 PHE 27 HE2 PHE 27 10.317 -2.976 -16.673 235 HE2 PHE 27 HE1 PHE 27 9.304 1.059 -17.606 236 HZ PHE 27 HZ PHE 27 10.899 -0.816 -17.703 237 H ILE 28 H ILE 28 4.123 -4.572 -15.205 238 HA ILE 28 HA ILE 28 1.555 -3.515 -14.567 239 HB ILE 28 HB ILE 28 2.621 -6.166 -13.619 240 HG12 ILE 28 2HG1 ILE 28 3.130 -5.995 -15.997 241 HG13 ILE 28 3HG1 ILE 28 1.797 -7.116 -15.748 242 HG21 ILE 28 1HG2 ILE 28 -0.089 -4.992 -14.100 243 HG22 ILE 28 2HG2 ILE 28 0.154 -6.737 -14.132 244 HG23 ILE 28 3HG2 ILE 28 0.530 -5.821 -12.673 245 HD11 ILE 28 3HD1 ILE 28 1.870 -4.542 -17.152 246 HD12 ILE 28 1HD1 ILE 28 0.870 -5.967 -17.432 247 HD13 ILE 28 2HD1 ILE 28 0.441 -4.824 -16.159 248 H SER 29 H SER 29 1.442 -2.076 -12.941 249 HA SER 29 HA SER 29 3.059 -2.111 -10.627 250 HB2 SER 29 2HB SER 29 0.515 -0.685 -11.365 251 HB3 SER 29 3HB SER 29 1.195 -0.538 -9.745 252 HG SER 29 HG SER 29 1.848 0.916 -11.734 253 H TYR 30 H TYR 30 -0.183 -3.337 -11.296 254 HA TYR 30 HA TYR 30 -0.024 -5.357 -9.340 255 HB2 TYR 30 2HB TYR 30 -1.547 -4.578 -7.662 256 HB3 TYR 30 3HB TYR 30 -0.297 -3.353 -7.848 257 HD1 TYR 30 HD2 TYR 30 -3.824 -4.170 -8.500 258 HD2 TYR 30 HD1 TYR 30 -0.820 -1.163 -8.687 259 HE1 TYR 30 HE2 TYR 30 -5.558 -2.469 -8.888 260 HE2 TYR 30 HE1 TYR 30 -2.545 0.546 -9.075 261 HH TYR 30 HH TYR 30 -4.872 0.912 -8.786 262 H LYS 31 H LYS 31 -1.811 -6.762 -9.383 263 HA LYS 31 HA LYS 31 -3.369 -6.584 -11.807 264 HB2 LYS 31 2HB LYS 31 -2.560 -8.748 -11.361 265 HB3 LYS 31 3HB LYS 31 -3.034 -8.672 -9.669 266 HG2 LYS 31 2HG LYS 31 -5.315 -8.968 -10.193 267 HG3 LYS 31 3HG LYS 31 -5.033 -8.676 -11.911 268 HD2 LYS 31 2HD LYS 31 -3.855 -10.743 -12.140 269 HD3 LYS 31 3HD LYS 31 -3.846 -10.995 -10.393 270 HE2 LYS 31 2HE LYS 31 -5.817 -12.015 -10.492 271 HE3 LYS 31 3HE LYS 31 -6.538 -10.619 -11.291 272 HZ1 LYS 31 3HZ LYS 31 -6.236 -13.056 -12.405 273 HZ2 LYS 31 1HZ LYS 31 -4.893 -12.232 -13.019 274 HZ3 LYS 31 2HZ LYS 31 -6.449 -11.619 -13.270 275 H HIS 32 H HIS 32 -5.592 -6.431 -11.971 276 HA HIS 32 HA HIS 32 -7.077 -5.862 -9.499 277 HB2 HIS 32 2HB HIS 32 -6.348 -3.781 -10.852 278 HB3 HIS 32 3HB HIS 32 -7.570 -4.287 -12.014 279 HD1 HIS 32 HD1 HIS 32 -7.564 -3.897 -8.219 280 HD2 HIS 32 HD2 HIS 32 -9.827 -2.895 -11.556 281 HE1 HIS 32 HE1 HIS 32 -9.560 -2.653 -7.329 282 H GLY 33 H GLY 33 -9.386 -6.162 -9.666 283 HA2 GLY 33 2HA GLY 33 -10.105 -8.525 -11.001 284 HA3 GLY 33 3HA GLY 33 -11.228 -7.399 -10.252 285 H GLN 34 H GLN 34 -12.429 -8.347 -12.224 286 HA GLN 34 HA GLN 34 -13.476 -7.903 -14.194 287 HB2 GLN 34 2HB GLN 34 -11.940 -5.304 -14.231 288 HB3 GLN 34 3HB GLN 34 -13.442 -5.668 -15.071 289 HG2 GLN 34 2HG GLN 34 -13.152 -5.603 -12.078 290 HG3 GLN 34 3HG GLN 34 -13.709 -4.246 -13.055 291 HE21 GLN 34 1HE2 GLN 34 -15.117 -5.649 -10.964 292 HE22 GLN 34 2HE2 GLN 34 -16.551 -6.295 -11.679 293 H GLY 35 H GLY 35 -10.496 -8.815 -13.924 294 HA2 GLY 35 2HA GLY 35 -8.983 -9.721 -15.400 295 HA3 GLY 35 3HA GLY 35 -10.149 -9.413 -16.679 296 H TRP 36 H TRP 36 -8.944 -6.862 -14.624 297 HA TRP 36 HA TRP 36 -7.330 -5.866 -16.879 298 HB2 TRP 36 2HB TRP 36 -9.156 -4.329 -15.027 299 HB3 TRP 36 3HB TRP 36 -7.958 -3.554 -16.059 300 HD1 TRP 36 HD1 TRP 36 -11.439 -4.928 -16.099 301 HE1 TRP 36 HE1 TRP 36 -12.431 -4.725 -18.465 302 HE3 TRP 36 HE3 TRP 36 -7.187 -3.702 -18.659 303 HZ2 TRP 36 HZ2 TRP 36 -11.530 -4.126 -21.072 304 HZ3 TRP 36 HZ3 TRP 36 -7.338 -3.331 -21.087 305 HH2 TRP 36 HH2 TRP 36 -9.466 -3.540 -22.267 306 H LEU 37 H LEU 37 -5.327 -5.098 -16.425 307 HA LEU 37 HA LEU 37 -4.523 -5.044 -13.590 308 HB2 LEU 37 2HB LEU 37 -2.493 -5.628 -15.664 309 HB3 LEU 37 3HB LEU 37 -2.622 -6.218 -14.008 310 HG LEU 37 HG LEU 37 -4.192 -7.208 -16.387 311 HD11 LEU 37 1HD1 LEU 37 -1.656 -7.967 -15.187 312 HD12 LEU 37 2HD1 LEU 37 -2.361 -8.429 -16.735 313 HD13 LEU 37 3HD1 LEU 37 -2.803 -9.304 -15.270 314 HD21 LEU 37 3HD2 LEU 37 -4.863 -7.267 -13.653 315 HD22 LEU 37 1HD2 LEU 37 -4.324 -8.892 -14.080 316 HD23 LEU 37 2HD2 LEU 37 -5.637 -8.133 -14.981 317 H VAL 38 H VAL 38 -3.572 -3.235 -12.889 318 HA VAL 38 HA VAL 38 -3.319 -0.991 -14.662 319 HB VAL 38 HB VAL 38 -2.484 -1.198 -11.767 320 HG11 VAL 38 1HG1 VAL 38 -2.928 1.130 -13.620 321 HG12 VAL 38 2HG1 VAL 38 -2.888 1.297 -11.864 322 HG13 VAL 38 3HG1 VAL 38 -1.467 0.709 -12.729 323 HG21 VAL 38 3HG2 VAL 38 -4.730 0.082 -11.507 324 HG22 VAL 38 1HG2 VAL 38 -5.124 -0.652 -13.062 325 HG23 VAL 38 2HG2 VAL 38 -4.749 -1.674 -11.674 326 H ALA 39 H ALA 39 -1.614 -0.654 -15.913 327 HA ALA 39 HA ALA 39 1.065 -1.162 -14.832 328 HB1 ALA 39 1HB ALA 39 1.716 -2.589 -16.447 329 HB2 ALA 39 2HB ALA 39 -0.012 -2.920 -16.574 330 HB3 ALA 39 3HB ALA 39 0.754 -1.789 -17.690 331 H GLU 40 H GLU 40 2.776 -0.047 -16.063 332 HA GLU 40 HA GLU 40 1.755 2.453 -17.241 333 HB2 GLU 40 2HB GLU 40 3.612 3.613 -16.339 334 HB3 GLU 40 3HB GLU 40 3.003 2.596 -15.041 335 HG2 GLU 40 2HG GLU 40 4.881 1.003 -16.281 336 HG3 GLU 40 3HG GLU 40 5.597 2.613 -16.332 337 H ASN 41 H ASN 41 3.041 3.433 -18.927 338 HA ASN 41 HA ASN 41 3.893 1.526 -20.868 339 HB2 ASN 41 2HB ASN 41 3.954 3.290 -22.367 340 HB3 ASN 41 3HB ASN 41 2.805 3.894 -21.177 341 HD21 ASN 41 1HD2 ASN 41 4.415 4.711 -19.156 342 HD22 ASN 41 2HD2 ASN 41 5.426 6.007 -19.687 343 H GLU 42 H GLU 42 6.034 2.381 -22.148 344 HA GLU 42 HA GLU 42 8.192 1.564 -20.501 345 HB2 GLU 42 2HB GLU 42 7.823 1.476 -23.128 346 HB3 GLU 42 3HB GLU 42 8.696 3.001 -23.065 347 HG2 GLU 42 2HG GLU 42 10.450 1.738 -21.708 348 HG3 GLU 42 3HG GLU 42 9.637 0.274 -22.258 349 H SER 43 H SER 43 7.089 4.696 -21.682 350 HA SER 43 HA SER 43 9.281 6.256 -20.965 351 HB2 SER 43 2HB SER 43 7.042 6.851 -22.221 352 HB3 SER 43 3HB SER 43 6.509 7.332 -20.610 353 HG SER 43 HG SER 43 7.432 9.129 -21.404 354 H GLY 44 H GLY 44 6.926 4.700 -18.995 355 HA2 GLY 44 2HA GLY 44 6.740 4.520 -16.712 356 HA3 GLY 44 3HA GLY 44 8.325 5.272 -16.603 357 H SER 45 H SER 45 6.101 7.135 -18.347 358 HA SER 45 HA SER 45 5.720 8.878 -16.006 359 HB2 SER 45 2HB SER 45 5.347 9.858 -18.810 360 HB3 SER 45 3HB SER 45 5.885 10.738 -17.379 361 HG SER 45 HG SER 45 7.831 9.394 -17.527 362 H LYS 46 H LYS 46 4.119 6.891 -18.243 363 HA LYS 46 HA LYS 46 1.523 8.063 -17.483 364 HB2 LYS 46 2HB LYS 46 0.747 7.890 -19.599 365 HB3 LYS 46 3HB LYS 46 2.455 7.908 -20.022 366 HG2 LYS 46 2HG LYS 46 2.429 5.422 -19.973 367 HG3 LYS 46 3HG LYS 46 0.682 5.494 -19.728 368 HD2 LYS 46 2HD LYS 46 1.157 5.144 -22.072 369 HD3 LYS 46 3HD LYS 46 0.474 6.756 -21.845 370 HE2 LYS 46 2HE LYS 46 3.332 6.856 -21.602 371 HE3 LYS 46 3HE LYS 46 2.887 6.062 -23.112 372 HZ1 LYS 46 3HZ LYS 46 2.824 8.799 -22.497 373 HZ2 LYS 46 1HZ LYS 46 1.239 8.292 -22.802 374 HZ3 LYS 46 2HZ LYS 46 2.445 8.041 -23.962 375 H THR 47 H THR 47 0.042 6.751 -16.571 376 HA THR 47 HA THR 47 0.513 3.853 -16.607 377 HB THR 47 HB THR 47 -0.287 5.278 -14.074 378 HG1 THR 47 HG1 THR 47 1.741 5.952 -14.125 379 HG21 THR 47 3HG2 THR 47 0.698 3.101 -13.134 380 HG22 THR 47 1HG2 THR 47 0.588 2.493 -14.785 381 HG23 THR 47 2HG2 THR 47 -0.869 3.010 -13.937 382 H GLY 48 H GLY 48 -1.307 2.600 -16.648 383 HA2 GLY 48 2HA GLY 48 -3.901 3.682 -16.006 384 HA3 GLY 48 3HA GLY 48 -3.643 3.467 -17.731 385 H LEU 49 H LEU 49 -5.326 1.921 -17.797 386 HA LEU 49 HA LEU 49 -4.776 -0.613 -16.418 387 HB2 LEU 49 2HB LEU 49 -7.276 0.400 -17.761 388 HB3 LEU 49 3HB LEU 49 -7.105 -1.196 -17.032 389 HG LEU 49 HG LEU 49 -6.597 1.196 -15.333 390 HD11 LEU 49 1HD1 LEU 49 -8.624 1.878 -16.373 391 HD12 LEU 49 2HD1 LEU 49 -9.040 1.234 -14.785 392 HD13 LEU 49 3HD1 LEU 49 -9.314 0.261 -16.231 393 HD21 LEU 49 3HD2 LEU 49 -6.311 -1.234 -14.640 394 HD22 LEU 49 1HD2 LEU 49 -8.070 -1.346 -14.702 395 HD23 LEU 49 2HD2 LEU 49 -7.297 -0.217 -13.589 396 H VAL 50 H VAL 50 -4.300 -2.435 -17.513 397 HA VAL 50 HA VAL 50 -4.543 -2.413 -20.442 398 HB VAL 50 HB VAL 50 -2.364 -3.345 -20.752 399 HG11 VAL 50 1HG1 VAL 50 -1.050 -1.479 -20.322 400 HG12 VAL 50 2HG1 VAL 50 -2.687 -0.821 -20.296 401 HG13 VAL 50 3HG1 VAL 50 -1.844 -1.151 -18.782 402 HG21 VAL 50 3HG2 VAL 50 -1.094 -3.176 -18.259 403 HG22 VAL 50 1HG2 VAL 50 -2.616 -4.018 -17.971 404 HG23 VAL 50 2HG2 VAL 50 -1.481 -4.635 -19.171 405 HA PRO 51 HA PRO 51 -6.232 -6.444 -20.015 406 HB2 PRO 51 2HB PRO 51 -5.463 -7.572 -22.361 407 HB3 PRO 51 3HB PRO 51 -6.725 -6.339 -22.256 408 HG2 PRO 51 2HG PRO 51 -3.843 -6.040 -23.010 409 HG3 PRO 51 3HG PRO 51 -5.276 -5.309 -23.756 410 HD2 PRO 51 2HD PRO 51 -3.678 -3.958 -22.038 411 HD3 PRO 51 3HD PRO 51 -5.424 -3.660 -22.152 412 H GLU 52 H GLU 52 -5.707 -8.516 -19.388 413 HA GLU 52 HA GLU 52 -2.880 -8.987 -18.846 414 HB2 GLU 52 2HB GLU 52 -4.540 -9.243 -17.025 415 HB3 GLU 52 3HB GLU 52 -5.308 -10.539 -17.931 416 HG2 GLU 52 2HG GLU 52 -2.411 -10.719 -17.246 417 HG3 GLU 52 3HG GLU 52 -3.633 -11.096 -16.033 418 H GLU 53 H GLU 53 -5.488 -10.200 -20.803 419 HA GLU 53 HA GLU 53 -4.039 -12.594 -21.566 420 HB2 GLU 53 2HB GLU 53 -6.764 -11.658 -21.731 421 HB3 GLU 53 3HB GLU 53 -6.218 -12.232 -23.301 422 HG2 GLU 53 2HG GLU 53 -5.830 -13.866 -20.822 423 HG3 GLU 53 3HG GLU 53 -7.345 -13.898 -21.723 424 H PHE 54 H PHE 54 -3.409 -9.584 -22.243 425 HA PHE 54 HA PHE 54 -2.837 -10.091 -25.089 426 HB2 PHE 54 2HB PHE 54 -4.094 -7.806 -23.777 427 HB3 PHE 54 3HB PHE 54 -2.729 -7.341 -24.786 428 HD1 PHE 54 HD1 PHE 54 -5.069 -10.153 -25.350 429 HD2 PHE 54 HD2 PHE 54 -3.804 -6.277 -26.570 430 HE1 PHE 54 HE1 PHE 54 -6.496 -10.320 -27.348 431 HE2 PHE 54 HE2 PHE 54 -5.230 -6.437 -28.569 432 HZ PHE 54 HZ PHE 54 -6.579 -8.460 -28.959 433 H VAL 55 H VAL 55 -1.506 -9.799 -22.087 434 HA VAL 55 HA VAL 55 1.080 -8.939 -23.208 435 HB VAL 55 HB VAL 55 1.649 -8.087 -20.919 436 HG11 VAL 55 1HG1 VAL 55 -0.670 -6.452 -21.670 437 HG12 VAL 55 2HG1 VAL 55 1.036 -6.018 -21.551 438 HG13 VAL 55 3HG1 VAL 55 0.430 -6.831 -22.995 439 HG21 VAL 55 3HG2 VAL 55 0.054 -9.228 -19.563 440 HG22 VAL 55 1HG2 VAL 55 -0.310 -7.505 -19.465 441 HG23 VAL 55 2HG2 VAL 55 -1.295 -8.557 -20.481 442 H SER 56 H SER 56 2.957 -9.727 -21.877 443 HA SER 56 HA SER 56 2.415 -12.303 -20.580 444 HB2 SER 56 2HB SER 56 3.017 -12.898 -22.840 445 HB3 SER 56 3HB SER 56 4.413 -11.821 -22.800 446 HG SER 56 HG SER 56 5.456 -13.194 -21.475 447 H TYR 57 H TYR 57 3.286 -12.293 -18.628 448 HA TYR 57 HA TYR 57 4.980 -10.313 -17.638 449 HB2 TYR 57 2HB TYR 57 4.105 -12.999 -16.683 450 HB3 TYR 57 3HB TYR 57 5.458 -12.231 -15.860 451 HD1 TYR 57 HD2 TYR 57 2.415 -10.653 -17.311 452 HD2 TYR 57 HD1 TYR 57 4.585 -11.622 -13.782 453 HE1 TYR 57 HE2 TYR 57 0.840 -9.312 -15.982 454 HE2 TYR 57 HE1 TYR 57 3.015 -10.285 -12.442 455 HH TYR 57 HH TYR 57 1.062 -9.179 -12.454 456 H ILE 58 H ILE 58 7.104 -9.984 -17.736 457 HA ILE 58 HA ILE 58 8.763 -11.987 -19.065 458 HB ILE 58 HB ILE 58 9.501 -9.162 -18.301 459 HG12 ILE 58 2HG1 ILE 58 8.585 -10.201 -20.991 460 HG13 ILE 58 3HG1 ILE 58 7.567 -9.291 -19.880 461 HG21 ILE 58 1HG2 ILE 58 11.487 -10.340 -18.640 462 HG22 ILE 58 2HG2 ILE 58 10.809 -11.284 -19.966 463 HG23 ILE 58 3HG2 ILE 58 11.177 -9.575 -20.199 464 HD11 ILE 58 3HD1 ILE 58 9.670 -8.375 -21.696 465 HD12 ILE 58 1HD1 ILE 58 8.248 -7.534 -21.081 466 HD13 ILE 58 2HD1 ILE 58 9.704 -7.644 -20.092 467 H GLN 59 H GLN 59 10.706 -12.755 -18.205 468 HA GLN 59 HA GLN 59 11.154 -12.227 -15.347 469 HB2 GLN 59 2HB GLN 59 10.541 -14.780 -16.673 470 HB3 GLN 59 3HB GLN 59 11.931 -14.835 -15.597 471 HG2 GLN 59 2HG GLN 59 10.680 -14.588 -13.743 472 HG3 GLN 59 3HG GLN 59 9.533 -13.504 -14.528 473 HE21 GLN 59 1HE2 GLN 59 9.120 -15.856 -12.800 474 HE22 GLN 59 2HE2 GLN 59 8.102 -16.919 -13.704 475 HA PRO 60 HA PRO 60 15.416 -11.793 -16.284 476 HB2 PRO 60 2HB PRO 60 16.613 -12.952 -14.141 477 HB3 PRO 60 3HB PRO 60 15.773 -11.400 -14.049 478 HG2 PRO 60 2HG PRO 60 14.805 -14.127 -13.281 479 HG3 PRO 60 3HG PRO 60 14.611 -12.588 -12.422 480 HD2 PRO 60 2HD PRO 60 12.640 -13.674 -13.928 481 HD3 PRO 60 3HD PRO 60 12.854 -11.920 -13.756 482 H GLU 61 H GLU 61 14.768 -15.054 -14.981 483 HA GLU 61 HA GLU 61 16.009 -16.254 -17.306 484 HB2 GLU 61 2HB GLU 61 17.153 -16.601 -14.532 485 HB3 GLU 61 3HB GLU 61 17.533 -17.658 -15.885 486 HG2 GLU 61 2HG GLU 61 18.480 -15.784 -17.108 487 HG3 GLU 61 3HG GLU 61 18.066 -14.698 -15.783 488 H LEU 62 H LEU 62 13.391 -16.158 -15.855 489 HA LEU 62 HA LEU 62 13.065 -19.047 -15.380 490 HB2 LEU 62 2HB LEU 62 11.120 -16.995 -14.409 491 HB3 LEU 62 3HB LEU 62 11.410 -18.626 -13.808 492 HG LEU 62 HG LEU 62 13.172 -16.213 -13.392 493 HD11 LEU 62 1HD1 LEU 62 12.417 -16.146 -11.219 494 HD12 LEU 62 2HD1 LEU 62 11.875 -17.824 -11.240 495 HD13 LEU 62 3HD1 LEU 62 10.948 -16.587 -12.090 496 HD21 LEU 62 3HD2 LEU 62 14.174 -18.042 -11.727 497 HD22 LEU 62 1HD2 LEU 62 14.775 -17.816 -13.370 498 HD23 LEU 62 2HD2 LEU 62 13.633 -19.113 -13.020 499 H GLU 63 H GLU 63 12.970 -17.559 -17.938 500 HA GLU 63 HA GLU 63 10.177 -17.565 -18.697 501 HB2 GLU 63 2HB GLU 63 11.957 -15.951 -19.573 502 HB3 GLU 63 3HB GLU 63 12.535 -17.292 -20.553 503 HG2 GLU 63 2HG GLU 63 10.352 -17.450 -21.632 504 HG3 GLU 63 3HG GLU 63 9.768 -16.110 -20.647 505 H1 GLY -9 H GLY -9 -9.278 1.461 -7.026 506 HA2 GLY -9 2HA GLY -9 -7.105 2.825 -5.567 507 HA3 GLY -9 3HA GLY -9 -6.806 2.042 -7.112 508 H LYS -8 H LYS -8 -6.328 3.717 -8.414 509 HA LYS -8 HA LYS -8 -8.008 6.104 -8.369 510 HB2 LYS -8 2HB LYS -8 -5.445 5.468 -9.840 511 HB3 LYS -8 3HB LYS -8 -6.315 6.989 -9.992 512 HG2 LYS -8 2HG LYS -8 -6.069 6.899 -7.330 513 HG3 LYS -8 3HG LYS -8 -4.638 5.971 -7.787 514 HD2 LYS -8 2HD LYS -8 -5.249 8.602 -9.088 515 HD3 LYS -8 3HD LYS -8 -4.429 8.533 -7.526 516 HE2 LYS -8 2HE LYS -8 -3.505 7.183 -10.062 517 HE3 LYS -8 3HE LYS -8 -2.843 8.674 -9.394 518 HZ1 LYS -8 3HZ LYS -8 -2.703 5.951 -8.237 519 HZ2 LYS -8 1HZ LYS -8 -2.329 7.341 -7.348 520 HZ3 LYS -8 2HZ LYS -8 -1.421 6.943 -8.718 521 H PHE -7 H PHE -7 -6.970 3.564 -10.614 522 HA PHE -7 HA PHE -7 -8.726 4.536 -12.697 523 HB2 PHE -7 2HB PHE -7 -7.143 1.961 -12.607 524 HB3 PHE -7 3HB PHE -7 -7.859 2.708 -14.031 525 HD1 PHE -7 HD1 PHE -7 -7.106 5.483 -13.818 526 HD2 PHE -7 HD2 PHE -7 -4.858 1.995 -12.871 527 HE1 PHE -7 HE1 PHE -7 -5.018 6.723 -14.218 528 HE2 PHE -7 HE2 PHE -7 -2.768 3.229 -13.269 529 HZ PHE -7 HZ PHE -7 -2.846 5.597 -13.942 530 H ILE -6 H ILE -6 -10.440 3.288 -13.624 531 HA ILE -6 HA ILE -6 -11.497 1.068 -12.076 532 HB ILE -6 HB ILE -6 -13.099 3.596 -12.483 533 HG12 ILE -6 2HG1 ILE -6 -12.080 2.263 -9.965 534 HG13 ILE -6 3HG1 ILE -6 -11.496 3.779 -10.642 535 HG21 ILE -6 1HG2 ILE -6 -14.463 1.601 -12.776 536 HG22 ILE -6 2HG2 ILE -6 -13.887 0.967 -11.235 537 HG23 ILE -6 3HG2 ILE -6 -14.878 2.426 -11.274 538 HD11 ILE -6 3HD1 ILE -6 -13.922 3.209 -9.077 539 HD12 ILE -6 1HD1 ILE -6 -12.901 4.646 -9.117 540 HD13 ILE -6 2HD1 ILE -6 -14.093 4.375 -10.389 541 HA PRO -5 HA PRO -5 -12.137 0.393 -16.540 542 HB2 PRO -5 2HB PRO -5 -11.988 -2.311 -16.357 543 HB3 PRO -5 3HB PRO -5 -10.559 -1.275 -16.460 544 HG2 PRO -5 2HG PRO -5 -11.820 -2.531 -14.052 545 HG3 PRO -5 3HG PRO -5 -10.103 -2.400 -14.476 546 HD2 PRO -5 2HD PRO -5 -11.293 -0.745 -12.694 547 HD3 PRO -5 3HD PRO -5 -9.957 -0.221 -13.739 548 H SER -4 H SER -4 -14.160 0.519 -17.260 549 HA SER -4 HA SER -4 -16.235 -1.093 -15.925 550 HB2 SER -4 2HB SER -4 -16.365 1.658 -17.148 551 HB3 SER -4 3HB SER -4 -17.817 0.695 -16.880 552 HG SER -4 HG SER -4 -17.687 1.664 -14.993 553 H ARG -3 H ARG -3 -15.085 -2.586 -17.650 554 HA ARG -3 HA ARG -3 -16.994 -3.152 -19.627 555 HB2 ARG -3 2HB ARG -3 -15.715 -2.651 -21.660 556 HB3 ARG -3 3HB ARG -3 -16.088 -1.187 -20.759 557 HG2 ARG -3 2HG ARG -3 -13.882 -0.919 -20.050 558 HG3 ARG -3 3HG ARG -3 -13.461 -2.589 -20.433 559 HD2 ARG -3 2HD ARG -3 -14.170 -0.462 -22.450 560 HD3 ARG -3 3HD ARG -3 -12.533 -0.979 -22.052 561 HE ARG -3 HE ARG -3 -14.301 -3.091 -22.921 562 HH11 ARG -3 1HH1 ARG -3 -11.963 -0.689 -23.861 563 HH12 ARG -3 2HH1 ARG -3 -11.538 -1.492 -25.337 564 HH21 ARG -3 1HH2 ARG -3 -13.750 -4.158 -24.861 565 HH22 ARG -3 2HH2 ARG -3 -12.556 -3.464 -25.905 566 HA PRO -2 HA PRO -2 -14.922 -7.018 -19.447 567 HB2 PRO -2 2HB PRO -2 -15.632 -8.098 -21.834 568 HB3 PRO -2 3HB PRO -2 -16.763 -7.914 -20.489 569 HG2 PRO -2 2HG PRO -2 -16.399 -6.187 -22.907 570 HG3 PRO -2 3HG PRO -2 -17.900 -6.734 -22.139 571 HD2 PRO -2 2HD PRO -2 -16.885 -4.254 -21.751 572 HD3 PRO -2 3HD PRO -2 -17.797 -5.120 -20.497 573 H ALA -1 H ALA -1 -13.019 -7.992 -20.024 574 HA ALA -1 HA ALA -1 -11.185 -6.460 -21.606 575 HB1 ALA -1 1HB ALA -1 -10.543 -7.692 -19.542 576 HB2 ALA -1 2HB ALA -1 -10.770 -9.202 -20.426 577 HB3 ALA -1 3HB ALA -1 -9.529 -8.058 -20.938 578 HA PRO 0 HA PRO 0 -11.836 -8.396 -25.510 579 HB2 PRO 0 2HB PRO 0 -9.443 -7.827 -26.660 580 HB3 PRO 0 3HB PRO 0 -10.702 -6.612 -26.410 581 HG2 PRO 0 2HG PRO 0 -8.258 -7.171 -24.774 582 HG3 PRO 0 3HG PRO 0 -8.941 -5.611 -25.269 583 HD2 PRO 0 2HD PRO 0 -9.314 -6.645 -22.795 584 HD3 PRO 0 3HD PRO 0 -10.531 -5.635 -23.601 585 H LYS 1 H LYS 1 -10.632 -9.915 -27.047 586 HA LYS 1 HA LYS 1 -9.070 -11.881 -25.506 587 HB2 LYS 1 2HB LYS 1 -10.186 -13.675 -26.709 588 HB3 LYS 1 3HB LYS 1 -11.374 -12.673 -25.885 589 HG2 LYS 1 2HG LYS 1 -11.520 -11.444 -28.177 590 HG3 LYS 1 3HG LYS 1 -10.814 -12.937 -28.802 591 HD2 LYS 1 2HD LYS 1 -13.306 -12.807 -27.107 592 HD3 LYS 1 3HD LYS 1 -13.303 -12.891 -28.870 593 HE2 LYS 1 2HE LYS 1 -11.904 -15.004 -28.599 594 HE3 LYS 1 3HE LYS 1 -12.356 -14.952 -26.896 595 HZ1 LYS 1 3HZ LYS 1 -14.095 -15.354 -29.249 596 HZ2 LYS 1 1HZ LYS 1 -14.733 -14.832 -27.771 597 HZ3 LYS 1 2HZ LYS 1 -13.939 -16.322 -27.870 598 HA PRO 2 HA PRO 2 -6.035 -11.704 -28.675 599 HB2 PRO 2 2HB PRO 2 -5.060 -14.236 -28.593 600 HB3 PRO 2 3HB PRO 2 -4.735 -13.040 -27.333 601 HG2 PRO 2 2HG PRO 2 -6.747 -15.257 -27.367 602 HG3 PRO 2 3HG PRO 2 -5.681 -14.734 -26.051 603 HD2 PRO 2 2HD PRO 2 -8.294 -14.035 -26.173 604 HD3 PRO 2 3HD PRO 2 -7.055 -12.979 -25.465 605 HA PRO 3 HA PRO 3 -7.588 -13.233 -32.495 606 HB2 PRO 3 2HB PRO 3 -5.304 -13.656 -33.900 607 HB3 PRO 3 3HB PRO 3 -5.919 -12.041 -33.531 608 HG2 PRO 3 2HG PRO 3 -3.769 -13.607 -32.159 609 HG3 PRO 3 3HG PRO 3 -3.796 -11.889 -32.596 610 HD2 PRO 3 2HD PRO 3 -4.308 -12.762 -30.084 611 HD3 PRO 3 3HD PRO 3 -5.077 -11.315 -30.767 612 H SER 4 H SER 4 -7.507 -15.071 -34.030 613 HA SER 4 HA SER 4 -7.492 -17.545 -32.627 614 HB2 SER 4 2HB SER 4 -8.014 -18.528 -34.867 615 HB3 SER 4 3HB SER 4 -9.083 -17.201 -34.416 616 HG SER 4 HG SER 4 -8.360 -16.983 -36.562 617 H SER 5 H SER 5 -5.962 -19.063 -32.454 618 HA SER 5 HA SER 5 -3.567 -18.829 -34.151 619 HB2 SER 5 2HB SER 5 -3.331 -19.790 -31.323 620 HB3 SER 5 3HB SER 5 -2.116 -19.030 -32.350 621 HG SER 5 HG SER 5 -2.662 -17.225 -31.449 622 H ALA 6 H ALA 6 -3.006 -20.643 -35.163 623 HA ALA 6 HA ALA 6 -4.558 -23.024 -34.830 624 HB1 ALA 6 1HB ALA 6 -2.129 -22.468 -36.528 625 HB2 ALA 6 2HB ALA 6 -3.101 -23.938 -36.606 626 HB3 ALA 6 3HB ALA 6 -3.817 -22.385 -37.034 Start of MODEL 10 1 H1 MET -4 H MET -4 0.625 -0.730 -1.093 2 HA MET -4 HA MET -4 2.350 -2.925 -0.502 3 HB2 MET -4 2HB MET -4 0.429 -3.706 0.905 4 HB3 MET -4 3HB MET -4 0.971 -2.071 1.258 5 HG2 MET -4 2HG MET -4 -0.892 -1.119 0.147 6 HG3 MET -4 3HG MET -4 -1.355 -2.672 -0.543 7 HE1 MET -4 3HE MET -4 -3.280 -3.528 0.028 8 HE2 MET -4 1HE MET -4 -4.092 -3.609 1.592 9 HE3 MET -4 2HE MET -4 -4.085 -2.099 0.680 10 H ALA -3 H ALA -3 -0.445 -2.451 -2.551 11 HA ALA -3 HA ALA -3 -0.547 -5.309 -3.181 12 HB1 ALA -3 1HB ALA -3 -2.392 -3.110 -4.105 13 HB2 ALA -3 2HB ALA -3 -2.640 -4.848 -4.279 14 HB3 ALA -3 3HB ALA -3 -2.655 -4.111 -2.676 15 H ILE -2 H ILE -2 1.760 -4.455 -4.090 16 HA ILE -2 HA ILE -2 1.350 -4.271 -6.990 17 HB ILE -2 HB ILE -2 3.410 -2.670 -5.468 18 HG12 ILE -2 2HG1 ILE -2 2.012 -0.803 -6.737 19 HG13 ILE -2 3HG1 ILE -2 0.740 -2.015 -6.633 20 HG21 ILE -2 1HG2 ILE -2 3.966 -1.708 -7.647 21 HG22 ILE -2 2HG2 ILE -2 4.237 -3.449 -7.623 22 HG23 ILE -2 3HG2 ILE -2 2.809 -2.790 -8.421 23 HD11 ILE -2 3HD1 ILE -2 0.375 -1.562 -4.496 24 HD12 ILE -2 1HD1 ILE -2 2.091 -1.666 -4.104 25 HD13 ILE -2 2HD1 ILE -2 1.415 -0.154 -4.710 26 H VAL -1 H VAL -1 2.481 -5.735 -8.097 27 HA VAL -1 HA VAL -1 4.459 -7.338 -6.653 28 HB VAL -1 HB VAL -1 2.613 -8.523 -7.786 29 HG11 VAL -1 1HG1 VAL -1 2.422 -6.891 -9.672 30 HG12 VAL -1 2HG1 VAL -1 3.873 -7.614 -10.368 31 HG13 VAL -1 3HG1 VAL -1 2.414 -8.584 -10.165 32 HG21 VAL -1 3HG2 VAL -1 3.926 -10.290 -8.333 33 HG22 VAL -1 1HG2 VAL -1 4.979 -9.327 -9.369 34 HG23 VAL -1 2HG2 VAL -1 5.176 -9.273 -7.617 35 H ASN 1 H ASN 1 4.170 -5.055 -9.238 36 HA ASN 1 HA ASN 1 5.692 -4.045 -10.593 37 HB2 ASN 1 2HB ASN 1 7.784 -5.168 -8.722 38 HB3 ASN 1 3HB ASN 1 7.933 -3.757 -9.766 39 HD21 ASN 1 1HD2 ASN 1 6.511 -1.935 -9.299 40 HD22 ASN 1 2HD2 ASN 1 6.082 -1.616 -7.656 41 H GLN 2 H GLN 2 4.862 -6.103 -11.855 42 HA GLN 2 HA GLN 2 7.228 -7.634 -12.712 43 HB2 GLN 2 2HB GLN 2 5.368 -8.967 -11.691 44 HB3 GLN 2 3HB GLN 2 4.334 -8.446 -13.015 45 HG2 GLN 2 2HG GLN 2 5.192 -10.669 -13.422 46 HG3 GLN 2 3HG GLN 2 5.824 -9.533 -14.612 47 HE21 GLN 2 1HE2 GLN 2 7.428 -11.226 -14.939 48 HE22 GLN 2 2HE2 GLN 2 8.815 -11.273 -13.910 49 H ARG 3 H ARG 3 7.915 -7.369 -14.737 50 HA ARG 3 HA ARG 3 6.591 -5.496 -16.460 51 HB2 ARG 3 2HB ARG 3 8.493 -5.660 -17.858 52 HB3 ARG 3 3HB ARG 3 9.102 -5.784 -16.213 53 HG2 ARG 3 2HG ARG 3 8.737 -8.389 -16.770 54 HG3 ARG 3 3HG ARG 3 9.089 -7.769 -18.384 55 HD2 ARG 3 2HD ARG 3 11.211 -8.207 -17.661 56 HD3 ARG 3 3HD ARG 3 11.042 -6.540 -17.112 57 HE ARG 3 HE ARG 3 10.173 -8.052 -15.009 58 HH11 ARG 3 1HH1 ARG 3 13.096 -7.887 -16.892 59 HH12 ARG 3 2HH1 ARG 3 14.119 -8.393 -15.588 60 HH21 ARG 3 1HH2 ARG 3 11.509 -8.719 -13.285 61 HH22 ARG 3 2HH2 ARG 3 13.215 -8.867 -13.537 62 H ALA 4 H ALA 4 6.078 -5.962 -18.727 63 HA ALA 4 HA ALA 4 5.546 -8.710 -19.455 64 HB1 ALA 4 1HB ALA 4 3.065 -7.771 -19.974 65 HB2 ALA 4 2HB ALA 4 3.497 -8.684 -18.527 66 HB3 ALA 4 3HB ALA 4 3.429 -6.923 -18.471 67 H VAL 5 H VAL 5 5.093 -8.983 -21.666 68 HA VAL 5 HA VAL 5 5.731 -6.624 -23.300 69 HB VAL 5 HB VAL 5 7.247 -8.607 -23.464 70 HG11 VAL 5 1HG1 VAL 5 5.106 -10.154 -23.354 71 HG12 VAL 5 2HG1 VAL 5 5.209 -10.011 -25.110 72 HG13 VAL 5 3HG1 VAL 5 6.570 -10.661 -24.195 73 HG21 VAL 5 3HG2 VAL 5 7.181 -7.006 -25.263 74 HG22 VAL 5 1HG2 VAL 5 7.295 -8.629 -25.945 75 HG23 VAL 5 2HG2 VAL 5 5.751 -7.777 -25.949 76 H ALA 6 H ALA 6 4.461 -6.022 -25.015 77 HA ALA 6 HA ALA 6 1.720 -6.936 -24.945 78 HB1 ALA 6 1HB ALA 6 1.738 -4.665 -25.214 79 HB2 ALA 6 2HB ALA 6 3.175 -4.684 -26.236 80 HB3 ALA 6 3HB ALA 6 1.616 -5.176 -26.898 81 H LEU 7 H LEU 7 0.820 -8.376 -26.269 82 HA LEU 7 HA LEU 7 2.435 -9.488 -28.430 83 HB2 LEU 7 2HB LEU 7 -0.264 -10.503 -27.640 84 HB3 LEU 7 3HB LEU 7 1.099 -11.383 -28.329 85 HG LEU 7 HG LEU 7 0.935 -10.348 -25.499 86 HD11 LEU 7 1HD1 LEU 7 0.682 -13.148 -26.587 87 HD12 LEU 7 2HD1 LEU 7 -0.616 -12.182 -25.885 88 HD13 LEU 7 3HD1 LEU 7 0.737 -12.704 -24.881 89 HD21 LEU 7 3HD2 LEU 7 2.900 -12.384 -25.990 90 HD22 LEU 7 1HD2 LEU 7 3.106 -10.769 -25.312 91 HD23 LEU 7 2HD2 LEU 7 3.168 -11.006 -27.059 92 H TYR 8 H TYR 8 -0.512 -7.687 -27.897 93 HA TYR 8 HA TYR 8 -0.676 -7.174 -30.767 94 HB2 TYR 8 2HB TYR 8 -3.210 -7.806 -29.288 95 HB3 TYR 8 3HB TYR 8 -2.908 -7.814 -31.022 96 HD1 TYR 8 HD1 TYR 8 -1.377 -9.648 -31.948 97 HD2 TYR 8 HD2 TYR 8 -3.086 -9.789 -28.054 98 HE1 TYR 8 HE1 TYR 8 -0.995 -12.077 -31.875 99 HE2 TYR 8 HE2 TYR 8 -2.707 -12.218 -27.969 100 HH TYR 8 HH TYR 8 -1.483 -13.985 -30.764 101 H ASP 9 H ASP 9 -1.255 -5.127 -31.248 102 HA ASP 9 HA ASP 9 -1.223 -3.152 -29.248 103 HB2 ASP 9 2HB ASP 9 -1.724 -1.575 -31.017 104 HB3 ASP 9 3HB ASP 9 -0.580 -2.772 -31.620 105 H PHE 10 H PHE 10 -2.814 -1.959 -28.273 106 HA PHE 10 HA PHE 10 -5.604 -2.556 -28.914 107 HB2 PHE 10 2HB PHE 10 -5.357 -4.099 -27.176 108 HB3 PHE 10 3HB PHE 10 -4.259 -3.057 -26.277 109 HD1 PHE 10 HD1 PHE 10 -7.794 -3.368 -27.364 110 HD2 PHE 10 HD2 PHE 10 -5.054 -1.701 -24.565 111 HE1 PHE 10 HE1 PHE 10 -9.679 -2.566 -26.001 112 HE2 PHE 10 HE2 PHE 10 -6.935 -0.898 -23.197 113 HZ PHE 10 HZ PHE 10 -9.251 -1.330 -23.914 114 H GLU 11 H GLU 11 -7.053 -0.921 -28.400 115 HA GLU 11 HA GLU 11 -5.817 1.603 -27.513 116 HB2 GLU 11 2HB GLU 11 -6.473 1.747 -29.835 117 HB3 GLU 11 3HB GLU 11 -8.080 1.141 -29.459 118 HG2 GLU 11 2HG GLU 11 -8.422 3.177 -28.047 119 HG3 GLU 11 3HG GLU 11 -6.897 3.792 -28.681 120 HA PRO 12 HA PRO 12 -8.597 1.504 -24.087 121 HB2 PRO 12 2HB PRO 12 -8.391 4.111 -23.358 122 HB3 PRO 12 3HB PRO 12 -7.117 2.924 -23.053 123 HG2 PRO 12 2HG PRO 12 -7.330 4.953 -25.244 124 HG3 PRO 12 3HG PRO 12 -5.918 4.502 -24.270 125 HD2 PRO 12 2HD PRO 12 -6.310 3.576 -26.784 126 HD3 PRO 12 3HD PRO 12 -5.492 2.621 -25.531 127 H GLU 13 H GLU 13 -10.713 1.984 -23.624 128 HA GLU 13 HA GLU 13 -12.154 3.532 -25.668 129 HB2 GLU 13 2HB GLU 13 -12.742 1.047 -24.208 130 HB3 GLU 13 3HB GLU 13 -14.095 2.164 -24.317 131 HG2 GLU 13 2HG GLU 13 -12.500 1.239 -26.691 132 HG3 GLU 13 3HG GLU 13 -13.978 0.458 -26.133 133 H ASN 14 H ASN 14 -11.164 3.582 -22.447 134 HA ASN 14 HA ASN 14 -13.199 5.610 -21.789 135 HB2 ASN 14 2HB ASN 14 -11.941 3.462 -20.131 136 HB3 ASN 14 3HB ASN 14 -12.426 4.964 -19.349 137 HD21 ASN 14 1HD2 ASN 14 -13.403 1.931 -20.132 138 HD22 ASN 14 2HD2 ASN 14 -15.116 2.152 -20.064 139 H ASP 15 H ASP 15 -12.314 7.060 -19.906 140 HA ASP 15 HA ASP 15 -9.836 8.218 -20.909 141 HB2 ASP 15 2HB ASP 15 -11.938 9.206 -18.981 142 HB3 ASP 15 3HB ASP 15 -10.436 10.077 -19.283 143 H ASN 16 H ASN 16 -10.176 5.742 -19.089 144 HA ASN 16 HA ASN 16 -8.076 6.540 -17.198 145 HB2 ASN 16 2HB ASN 16 -9.243 4.756 -15.649 146 HB3 ASN 16 3HB ASN 16 -9.811 6.423 -15.678 147 HD21 ASN 16 1HD2 ASN 16 -10.654 3.199 -16.042 148 HD22 ASN 16 2HD2 ASN 16 -12.241 3.421 -16.690 149 H GLU 17 H GLU 17 -8.405 4.962 -19.825 150 HA GLU 17 HA GLU 17 -7.188 2.439 -18.929 151 HB2 GLU 17 2HB GLU 17 -8.745 3.212 -21.370 152 HB3 GLU 17 3HB GLU 17 -7.626 1.857 -21.446 153 HG2 GLU 17 2HG GLU 17 -9.466 1.826 -19.159 154 HG3 GLU 17 3HG GLU 17 -10.225 1.663 -20.741 155 H LEU 18 H LEU 18 -5.413 1.583 -20.255 156 HA LEU 18 HA LEU 18 -3.686 3.761 -21.226 157 HB2 LEU 18 2HB LEU 18 -3.193 1.984 -19.218 158 HB3 LEU 18 3HB LEU 18 -2.430 1.187 -20.593 159 HG LEU 18 HG LEU 18 -1.797 3.943 -19.538 160 HD11 LEU 18 1HD1 LEU 18 -0.923 1.400 -18.727 161 HD12 LEU 18 2HD1 LEU 18 -0.267 2.970 -18.265 162 HD13 LEU 18 3HD1 LEU 18 0.400 2.111 -19.653 163 HD21 LEU 18 3HD2 LEU 18 -1.377 4.189 -21.787 164 HD22 LEU 18 1HD2 LEU 18 -0.982 2.485 -22.011 165 HD23 LEU 18 2HD2 LEU 18 0.169 3.560 -21.216 166 H ARG 19 H ARG 19 -2.617 3.556 -23.164 167 HA ARG 19 HA ARG 19 -3.798 1.758 -25.071 168 HB2 ARG 19 2HB ARG 19 -1.406 3.476 -25.643 169 HB3 ARG 19 3HB ARG 19 -2.715 3.009 -26.720 170 HG2 ARG 19 2HG ARG 19 -4.239 4.438 -25.336 171 HG3 ARG 19 3HG ARG 19 -2.804 5.024 -24.493 172 HD2 ARG 19 2HD ARG 19 -3.263 5.207 -27.468 173 HD3 ARG 19 3HD ARG 19 -3.533 6.519 -26.322 174 HE ARG 19 HE ARG 19 -1.026 5.654 -27.387 175 HH11 ARG 19 1HH1 ARG 19 -2.566 7.110 -24.624 176 HH12 ARG 19 2HH1 ARG 19 -1.138 7.943 -24.104 177 HH21 ARG 19 1HH2 ARG 19 0.860 6.745 -26.711 178 HH22 ARG 19 2HH2 ARG 19 0.809 7.735 -25.292 179 H LEU 20 H LEU 20 -2.580 0.324 -26.456 180 HA LEU 20 HA LEU 20 -0.013 -0.595 -25.399 181 HB2 LEU 20 2HB LEU 20 -2.367 -1.894 -24.781 182 HB3 LEU 20 3HB LEU 20 -1.748 -2.808 -26.155 183 HG LEU 20 HG LEU 20 0.264 -3.346 -24.979 184 HD11 LEU 20 1HD1 LEU 20 0.132 -2.527 -22.415 185 HD12 LEU 20 2HD1 LEU 20 -0.595 -1.141 -23.228 186 HD13 LEU 20 3HD1 LEU 20 1.025 -1.676 -23.676 187 HD21 LEU 20 3HD2 LEU 20 -1.090 -4.075 -22.679 188 HD22 LEU 20 1HD2 LEU 20 -0.972 -5.012 -24.168 189 HD23 LEU 20 2HD2 LEU 20 -2.358 -3.956 -23.900 190 H ALA 21 H ALA 21 1.284 -1.695 -26.897 191 HA ALA 21 HA ALA 21 0.269 -1.892 -29.641 192 HB1 ALA 21 1HB ALA 21 1.889 -0.568 -30.592 193 HB2 ALA 21 2HB ALA 21 1.583 0.299 -29.086 194 HB3 ALA 21 3HB ALA 21 2.993 -0.751 -29.228 195 H GLU 22 H GLU 22 1.098 -3.564 -30.817 196 HA GLU 22 HA GLU 22 2.151 -5.780 -29.536 197 HB2 GLU 22 2HB GLU 22 1.056 -5.970 -31.684 198 HB3 GLU 22 3HB GLU 22 2.307 -5.003 -32.451 199 HG2 GLU 22 2HG GLU 22 3.622 -7.148 -31.207 200 HG3 GLU 22 3HG GLU 22 2.211 -7.825 -32.018 201 H GLY 23 H GLY 23 4.071 -6.137 -28.655 202 HA2 GLY 23 2HA GLY 23 6.417 -6.372 -28.720 203 HA3 GLY 23 3HA GLY 23 6.477 -5.187 -30.017 204 H ASP 24 H ASP 24 4.452 -3.947 -27.748 205 HA ASP 24 HA ASP 24 6.404 -2.034 -26.870 206 HB2 ASP 24 2HB ASP 24 3.931 -1.590 -27.385 207 HB3 ASP 24 3HB ASP 24 3.598 -2.294 -25.805 208 H ILE 25 H ILE 25 6.783 -1.497 -24.609 209 HA ILE 25 HA ILE 25 6.811 -3.912 -22.924 210 HB ILE 25 HB ILE 25 8.665 -1.529 -22.846 211 HG12 ILE 25 2HG1 ILE 25 8.728 -3.550 -24.646 212 HG13 ILE 25 3HG1 ILE 25 10.167 -2.716 -24.068 213 HG21 ILE 25 1HG2 ILE 25 9.946 -3.018 -21.244 214 HG22 ILE 25 2HG2 ILE 25 8.459 -2.298 -20.628 215 HG23 ILE 25 3HG2 ILE 25 8.478 -3.989 -21.130 216 HD11 ILE 25 3HD1 ILE 25 9.104 -5.194 -22.754 217 HD12 ILE 25 1HD1 ILE 25 10.246 -5.238 -24.097 218 HD13 ILE 25 2HD1 ILE 25 10.697 -4.457 -22.581 219 H VAL 26 H VAL 26 5.520 -3.897 -21.216 220 HA VAL 26 HA VAL 26 4.908 -1.327 -19.919 221 HB VAL 26 HB VAL 26 2.612 -2.333 -19.418 222 HG11 VAL 26 1HG1 VAL 26 3.143 -1.697 -22.313 223 HG12 VAL 26 2HG1 VAL 26 1.663 -1.410 -21.396 224 HG13 VAL 26 3HG1 VAL 26 3.120 -0.481 -21.037 225 HG21 VAL 26 3HG2 VAL 26 1.794 -3.952 -21.099 226 HG22 VAL 26 1HG2 VAL 26 3.442 -4.112 -21.707 227 HG23 VAL 26 2HG2 VAL 26 3.056 -4.620 -20.063 228 H PHE 27 H PHE 27 4.328 -1.476 -17.675 229 HA PHE 27 HA PHE 27 5.380 -3.908 -16.388 230 HB2 PHE 27 2HB PHE 27 5.434 -1.058 -15.374 231 HB3 PHE 27 3HB PHE 27 6.028 -2.461 -14.492 232 HD1 PHE 27 HD2 PHE 27 7.786 -3.914 -15.856 233 HD2 PHE 27 HD1 PHE 27 6.955 0.207 -16.527 234 HE1 PHE 27 HE2 PHE 27 9.990 -3.645 -16.914 235 HE2 PHE 27 HE1 PHE 27 9.159 0.482 -17.587 236 HZ PHE 27 HZ PHE 27 10.680 -1.445 -17.781 237 H ILE 28 H ILE 28 3.730 -5.090 -15.674 238 HA ILE 28 HA ILE 28 1.188 -3.984 -14.993 239 HB ILE 28 HB ILE 28 2.134 -6.745 -14.257 240 HG12 ILE 28 2HG1 ILE 28 2.686 -6.413 -16.603 241 HG13 ILE 28 3HG1 ILE 28 1.291 -7.478 -16.469 242 HG21 ILE 28 1HG2 ILE 28 -0.534 -5.456 -14.726 243 HG22 ILE 28 2HG2 ILE 28 -0.325 -7.206 -14.791 244 HG23 ILE 28 3HG2 ILE 28 0.038 -6.329 -13.305 245 HD11 ILE 28 3HD1 ILE 28 0.562 -6.120 -18.126 246 HD12 ILE 28 1HD1 ILE 28 -0.008 -5.189 -16.741 247 HD13 ILE 28 2HD1 ILE 28 1.490 -4.734 -17.553 248 H SER 29 H SER 29 1.093 -2.689 -13.252 249 HA SER 29 HA SER 29 2.682 -2.952 -10.938 250 HB2 SER 29 2HB SER 29 0.270 -1.365 -11.690 251 HB3 SER 29 3HB SER 29 0.678 -1.489 -9.979 252 HG SER 29 HG SER 29 1.782 0.070 -11.825 253 H TYR 30 H TYR 30 -0.563 -4.082 -11.736 254 HA TYR 30 HA TYR 30 -0.446 -6.249 -9.938 255 HB2 TYR 30 2HB TYR 30 -1.951 -5.596 -8.213 256 HB3 TYR 30 3HB TYR 30 -0.747 -4.318 -8.328 257 HD1 TYR 30 HD2 TYR 30 -1.343 -2.119 -9.188 258 HD2 TYR 30 HD1 TYR 30 -4.254 -5.207 -8.870 259 HE1 TYR 30 HE2 TYR 30 -3.132 -0.455 -9.471 260 HE2 TYR 30 HE1 TYR 30 -6.050 -3.551 -9.154 261 HH TYR 30 HH TYR 30 -6.545 -1.425 -9.575 262 H LYS 31 H LYS 31 -2.168 -7.671 -10.198 263 HA LYS 31 HA LYS 31 -3.715 -7.271 -12.596 264 HB2 LYS 31 2HB LYS 31 -2.863 -9.459 -12.315 265 HB3 LYS 31 3HB LYS 31 -3.425 -9.551 -10.651 266 HG2 LYS 31 2HG LYS 31 -5.675 -9.803 -11.324 267 HG3 LYS 31 3HG LYS 31 -5.300 -9.358 -12.990 268 HD2 LYS 31 2HD LYS 31 -4.148 -11.391 -13.372 269 HD3 LYS 31 3HD LYS 31 -4.119 -11.781 -11.651 270 HE2 LYS 31 2HE LYS 31 -6.790 -11.526 -12.110 271 HE3 LYS 31 3HE LYS 31 -6.232 -12.182 -13.648 272 HZ1 LYS 31 3HZ LYS 31 -5.046 -13.910 -12.261 273 HZ2 LYS 31 1HZ LYS 31 -6.733 -14.025 -12.320 274 HZ3 LYS 31 2HZ LYS 31 -5.976 -13.376 -10.953 275 H HIS 32 H HIS 32 -5.953 -7.184 -12.770 276 HA HIS 32 HA HIS 32 -7.480 -6.877 -10.284 277 HB2 HIS 32 2HB HIS 32 -6.725 -4.642 -11.355 278 HB3 HIS 32 3HB HIS 32 -7.929 -4.999 -12.590 279 HD1 HIS 32 HD1 HIS 32 -7.938 -5.008 -8.774 280 HD2 HIS 32 HD2 HIS 32 -10.236 -3.748 -11.998 281 HE1 HIS 32 HE1 HIS 32 -9.959 -3.902 -7.767 282 H GLY 33 H GLY 33 -9.743 -7.254 -10.490 283 HA2 GLY 33 2HA GLY 33 -10.433 -9.393 -12.148 284 HA3 GLY 33 3HA GLY 33 -11.579 -8.380 -11.282 285 H GLN 34 H GLN 34 -12.725 -9.089 -13.391 286 HA GLN 34 HA GLN 34 -13.744 -8.400 -15.305 287 HB2 GLN 34 2HB GLN 34 -12.239 -5.804 -14.973 288 HB3 GLN 34 3HB GLN 34 -13.717 -6.069 -15.887 289 HG2 GLN 34 2HG GLN 34 -13.424 -6.258 -12.898 290 HG3 GLN 34 3HG GLN 34 -14.172 -4.936 -13.792 291 HE21 GLN 34 1HE2 GLN 34 -15.424 -6.460 -11.771 292 HE22 GLN 34 2HE2 GLN 34 -16.748 -7.306 -12.488 293 H GLY 35 H GLY 35 -10.747 -9.294 -15.089 294 HA2 GLY 35 2HA GLY 35 -9.190 -9.982 -16.635 295 HA3 GLY 35 3HA GLY 35 -10.344 -9.549 -17.888 296 H TRP 36 H TRP 36 -9.236 -7.232 -15.527 297 HA TRP 36 HA TRP 36 -7.618 -5.938 -17.623 298 HB2 TRP 36 2HB TRP 36 -9.495 -4.681 -15.619 299 HB3 TRP 36 3HB TRP 36 -8.302 -3.758 -16.528 300 HD1 TRP 36 HD1 TRP 36 -11.753 -5.176 -16.790 301 HE1 TRP 36 HE1 TRP 36 -12.719 -4.701 -19.128 302 HE3 TRP 36 HE3 TRP 36 -7.493 -3.575 -19.117 303 HZ2 TRP 36 HZ2 TRP 36 -11.797 -3.771 -21.628 304 HZ3 TRP 36 HZ3 TRP 36 -7.620 -2.911 -21.483 305 HH2 TRP 36 HH2 TRP 36 -9.728 -3.008 -22.711 306 H LEU 37 H LEU 37 -5.624 -5.237 -17.065 307 HA LEU 37 HA LEU 37 -4.856 -5.462 -14.229 308 HB2 LEU 37 2HB LEU 37 -2.789 -5.852 -16.307 309 HB3 LEU 37 3HB LEU 37 -2.964 -6.612 -14.726 310 HG LEU 37 HG LEU 37 -4.498 -7.331 -17.225 311 HD11 LEU 37 1HD1 LEU 37 -2.943 -9.436 -16.056 312 HD12 LEU 37 2HD1 LEU 37 -1.915 -8.046 -16.401 313 HD13 LEU 37 3HD1 LEU 37 -2.878 -8.771 -17.688 314 HD21 LEU 37 3HD2 LEU 37 -4.821 -9.356 -15.401 315 HD22 LEU 37 1HD2 LEU 37 -6.013 -8.112 -15.782 316 HD23 LEU 37 2HD2 LEU 37 -4.936 -7.908 -14.400 317 H VAL 38 H VAL 38 -3.899 -3.735 -13.350 318 HA VAL 38 HA VAL 38 -3.607 -1.339 -14.915 319 HB VAL 38 HB VAL 38 -2.853 -1.792 -12.026 320 HG11 VAL 38 1HG1 VAL 38 -3.295 0.693 -13.667 321 HG12 VAL 38 2HG1 VAL 38 -3.236 0.689 -11.903 322 HG13 VAL 38 3HG1 VAL 38 -1.823 0.192 -12.835 323 HG21 VAL 38 3HG2 VAL 38 -5.132 -0.489 -11.791 324 HG22 VAL 38 1HG2 VAL 38 -5.461 -1.243 -13.351 325 HG23 VAL 38 2HG2 VAL 38 -5.098 -2.246 -11.946 326 H ALA 39 H ALA 39 -1.879 -1.033 -16.154 327 HA ALA 39 HA ALA 39 0.770 -1.641 -15.027 328 HB1 ALA 39 1HB ALA 39 1.479 -2.808 -16.840 329 HB2 ALA 39 2HB ALA 39 -0.238 -3.201 -16.936 330 HB3 ALA 39 3HB ALA 39 0.434 -1.929 -17.956 331 H GLU 40 H GLU 40 2.537 -0.493 -16.285 332 HA GLU 40 HA GLU 40 1.591 2.163 -17.143 333 HB2 GLU 40 2HB GLU 40 3.519 3.170 -16.096 334 HB3 GLU 40 3HB GLU 40 2.666 2.198 -14.905 335 HG2 GLU 40 2HG GLU 40 4.625 0.568 -16.166 336 HG3 GLU 40 3HG GLU 40 5.383 2.075 -15.655 337 H ASN 41 H ASN 41 3.044 3.313 -18.606 338 HA ASN 41 HA ASN 41 3.780 1.778 -20.819 339 HB2 ASN 41 2HB ASN 41 4.884 3.842 -21.643 340 HB3 ASN 41 3HB ASN 41 3.260 4.142 -21.031 341 HD21 ASN 41 1HD2 ASN 41 4.855 6.250 -21.283 342 HD22 ASN 41 2HD2 ASN 41 5.407 6.809 -19.744 343 H GLU 42 H GLU 42 6.193 2.380 -21.747 344 HA GLU 42 HA GLU 42 7.926 0.738 -20.149 345 HB2 GLU 42 2HB GLU 42 7.825 0.669 -22.657 346 HB3 GLU 42 3HB GLU 42 8.599 2.247 -22.677 347 HG2 GLU 42 2HG GLU 42 10.512 1.251 -21.438 348 HG3 GLU 42 3HG GLU 42 9.749 -0.326 -21.630 349 H SER 43 H SER 43 7.705 4.146 -20.994 350 HA SER 43 HA SER 43 10.206 4.895 -19.862 351 HB2 SER 43 2HB SER 43 9.163 6.314 -21.529 352 HB3 SER 43 3HB SER 43 7.744 6.535 -20.506 353 HG SER 43 HG SER 43 10.095 7.869 -20.486 354 H GLY 44 H GLY 44 7.088 4.247 -18.555 355 HA2 GLY 44 2HA GLY 44 6.449 4.057 -16.343 356 HA3 GLY 44 3HA GLY 44 8.070 4.548 -15.875 357 H SER 45 H SER 45 6.183 6.505 -18.043 358 HA SER 45 HA SER 45 5.971 8.536 -15.925 359 HB2 SER 45 2HB SER 45 7.315 9.044 -18.022 360 HB3 SER 45 3HB SER 45 5.787 9.022 -18.902 361 HG SER 45 HG SER 45 6.119 10.628 -16.609 362 H LYS 46 H LYS 46 4.172 6.517 -18.031 363 HA LYS 46 HA LYS 46 1.689 7.853 -17.177 364 HB2 LYS 46 2HB LYS 46 0.923 8.014 -19.279 365 HB3 LYS 46 3HB LYS 46 2.584 7.730 -19.782 366 HG2 LYS 46 2HG LYS 46 2.114 5.321 -19.909 367 HG3 LYS 46 3HG LYS 46 0.437 5.643 -19.465 368 HD2 LYS 46 2HD LYS 46 0.612 5.392 -21.865 369 HD3 LYS 46 3HD LYS 46 0.212 7.065 -21.471 370 HE2 LYS 46 2HE LYS 46 3.031 6.858 -21.511 371 HE3 LYS 46 3HE LYS 46 2.428 6.046 -22.955 372 HZ1 LYS 46 3HZ LYS 46 2.656 8.793 -22.486 373 HZ2 LYS 46 1HZ LYS 46 1.008 8.437 -22.627 374 HZ3 LYS 46 2HZ LYS 46 2.074 8.014 -23.870 375 H THR 47 H THR 47 0.100 6.563 -16.395 376 HA THR 47 HA THR 47 0.483 3.650 -16.567 377 HB THR 47 HB THR 47 -0.422 5.074 -14.061 378 HG1 THR 47 HG1 THR 47 1.618 5.155 -13.465 379 HG21 THR 47 3HG2 THR 47 -1.276 2.837 -14.174 380 HG22 THR 47 1HG2 THR 47 0.075 2.841 -13.041 381 HG23 THR 47 2HG2 THR 47 0.294 2.207 -14.672 382 H GLY 48 H GLY 48 -1.411 2.391 -16.487 383 HA2 GLY 48 2HA GLY 48 -4.001 3.486 -16.099 384 HA3 GLY 48 3HA GLY 48 -3.634 3.395 -17.815 385 H LEU 49 H LEU 49 -5.484 1.924 -17.862 386 HA LEU 49 HA LEU 49 -4.978 -0.727 -16.732 387 HB2 LEU 49 2HB LEU 49 -7.404 0.381 -18.138 388 HB3 LEU 49 3HB LEU 49 -7.281 -1.227 -17.428 389 HG LEU 49 HG LEU 49 -6.851 1.164 -15.694 390 HD11 LEU 49 1HD1 LEU 49 -8.887 1.709 -16.888 391 HD12 LEU 49 2HD1 LEU 49 -9.261 1.244 -15.229 392 HD13 LEU 49 3HD1 LEU 49 -9.542 0.107 -16.547 393 HD21 LEU 49 3HD2 LEU 49 -6.554 -1.321 -15.057 394 HD22 LEU 49 1HD2 LEU 49 -8.317 -1.364 -15.042 395 HD23 LEU 49 2HD2 LEU 49 -7.453 -0.265 -13.966 396 H VAL 50 H VAL 50 -4.624 -2.527 -17.946 397 HA VAL 50 HA VAL 50 -4.685 -2.272 -20.869 398 HB VAL 50 HB VAL 50 -2.525 -3.271 -21.146 399 HG11 VAL 50 1HG1 VAL 50 -2.861 -0.747 -20.411 400 HG12 VAL 50 2HG1 VAL 50 -1.873 -1.274 -19.047 401 HG13 VAL 50 3HG1 VAL 50 -1.260 -1.429 -20.694 402 HG21 VAL 50 3HG2 VAL 50 -1.391 -3.269 -18.567 403 HG22 VAL 50 1HG2 VAL 50 -2.930 -4.122 -18.446 404 HG23 VAL 50 2HG2 VAL 50 -1.716 -4.656 -19.608 405 HA PRO 51 HA PRO 51 -6.521 -6.261 -20.807 406 HB2 PRO 51 2HB PRO 51 -5.685 -7.244 -23.196 407 HB3 PRO 51 3HB PRO 51 -6.910 -5.978 -23.054 408 HG2 PRO 51 2HG PRO 51 -3.990 -5.728 -23.662 409 HG3 PRO 51 3HG PRO 51 -5.365 -4.896 -24.412 410 HD2 PRO 51 2HD PRO 51 -3.802 -3.728 -22.535 411 HD3 PRO 51 3HD PRO 51 -5.531 -3.362 -22.700 412 H GLU 52 H GLU 52 -6.090 -8.390 -20.312 413 HA GLU 52 HA GLU 52 -3.305 -8.999 -19.694 414 HB2 GLU 52 2HB GLU 52 -5.008 -9.324 -17.945 415 HB3 GLU 52 3HB GLU 52 -5.838 -10.484 -18.973 416 HG2 GLU 52 2HG GLU 52 -4.221 -12.099 -18.692 417 HG3 GLU 52 3HG GLU 52 -2.977 -10.927 -18.261 418 H GLU 53 H GLU 53 -5.877 -9.986 -21.823 419 HA GLU 53 HA GLU 53 -4.487 -12.375 -22.694 420 HB2 GLU 53 2HB GLU 53 -7.160 -11.415 -22.805 421 HB3 GLU 53 3HB GLU 53 -6.618 -11.662 -24.459 422 HG2 GLU 53 2HG GLU 53 -7.415 -13.735 -24.030 423 HG3 GLU 53 3HG GLU 53 -5.764 -13.952 -23.454 424 H PHE 54 H PHE 54 -3.779 -9.313 -23.153 425 HA PHE 54 HA PHE 54 -3.059 -9.670 -25.989 426 HB2 PHE 54 2HB PHE 54 -4.284 -7.414 -24.576 427 HB3 PHE 54 3HB PHE 54 -2.889 -6.957 -25.548 428 HD1 PHE 54 HD2 PHE 54 -5.234 -9.697 -26.330 429 HD2 PHE 54 HD1 PHE 54 -3.993 -5.726 -27.228 430 HE1 PHE 54 HE2 PHE 54 -6.639 -9.719 -28.349 431 HE2 PHE 54 HE1 PHE 54 -5.397 -5.741 -29.249 432 HZ PHE 54 HZ PHE 54 -6.722 -7.739 -29.812 433 H VAL 55 H VAL 55 -1.812 -9.841 -23.020 434 HA VAL 55 HA VAL 55 0.832 -8.939 -23.932 435 HB VAL 55 HB VAL 55 1.345 -8.190 -21.612 436 HG11 VAL 55 1HG1 VAL 55 -0.945 -6.492 -22.339 437 HG12 VAL 55 2HG1 VAL 55 0.757 -6.077 -22.127 438 HG13 VAL 55 3HG1 VAL 55 0.207 -6.805 -23.637 439 HG21 VAL 55 3HG2 VAL 55 -0.051 -8.754 -19.974 440 HG22 VAL 55 1HG2 VAL 55 -1.212 -7.602 -20.634 441 HG23 VAL 55 2HG2 VAL 55 -1.268 -9.293 -21.131 442 H SER 56 H SER 56 2.615 -9.899 -22.625 443 HA SER 56 HA SER 56 1.901 -12.478 -21.421 444 HB2 SER 56 2HB SER 56 2.526 -12.880 -23.784 445 HB3 SER 56 3HB SER 56 4.085 -12.111 -23.486 446 HG SER 56 HG SER 56 3.746 -14.572 -23.284 447 H TYR 57 H TYR 57 2.736 -12.570 -19.455 448 HA TYR 57 HA TYR 57 4.493 -10.738 -18.346 449 HB2 TYR 57 2HB TYR 57 3.529 -13.444 -17.573 450 HB3 TYR 57 3HB TYR 57 4.928 -12.809 -16.715 451 HD1 TYR 57 HD2 TYR 57 1.939 -10.995 -17.996 452 HD2 TYR 57 HD1 TYR 57 4.124 -12.299 -14.586 453 HE1 TYR 57 HE2 TYR 57 0.448 -9.682 -16.546 454 HE2 TYR 57 HE1 TYR 57 2.638 -10.991 -13.126 455 HH TYR 57 HH TYR 57 0.472 -10.003 -13.115 456 H ILE 58 H ILE 58 6.657 -10.544 -18.197 457 HA ILE 58 HA ILE 58 8.273 -12.464 -19.719 458 HB ILE 58 HB ILE 58 9.112 -9.726 -18.773 459 HG12 ILE 58 2HG1 ILE 58 8.022 -10.533 -21.479 460 HG13 ILE 58 3HG1 ILE 58 7.155 -9.580 -20.279 461 HG21 ILE 58 1HG2 ILE 58 10.252 -11.648 -20.794 462 HG22 ILE 58 2HG2 ILE 58 10.797 -9.984 -20.587 463 HG23 ILE 58 3HG2 ILE 58 10.980 -11.141 -19.269 464 HD11 ILE 58 3HD1 ILE 58 9.437 -8.814 -22.025 465 HD12 ILE 58 1HD1 ILE 58 7.943 -7.947 -21.671 466 HD13 ILE 58 2HD1 ILE 58 9.232 -8.009 -20.469 467 H GLN 59 H GLN 59 10.242 -13.258 -18.890 468 HA GLN 59 HA GLN 59 10.613 -12.956 -15.989 469 HB2 GLN 59 2HB GLN 59 10.073 -15.402 -17.532 470 HB3 GLN 59 3HB GLN 59 11.433 -15.525 -16.424 471 HG2 GLN 59 2HG GLN 59 10.124 -15.495 -14.605 472 HG3 GLN 59 3HG GLN 59 9.024 -14.299 -15.288 473 HE21 GLN 59 1HE2 GLN 59 8.515 -16.820 -13.845 474 HE22 GLN 59 2HE2 GLN 59 7.491 -17.747 -14.883 475 HA PRO 60 HA PRO 60 14.891 -12.398 -16.775 476 HB2 PRO 60 2HB PRO 60 16.052 -13.721 -14.708 477 HB3 PRO 60 3HB PRO 60 15.189 -12.192 -14.507 478 HG2 PRO 60 2HG PRO 60 14.239 -14.985 -13.996 479 HG3 PRO 60 3HG PRO 60 14.004 -13.526 -13.015 480 HD2 PRO 60 2HD PRO 60 12.085 -14.504 -14.657 481 HD3 PRO 60 3HD PRO 60 12.271 -12.768 -14.333 482 H GLU 61 H GLU 61 14.240 -15.765 -15.782 483 HA GLU 61 HA GLU 61 15.553 -16.752 -18.164 484 HB2 GLU 61 2HB GLU 61 17.259 -16.362 -16.186 485 HB3 GLU 61 3HB GLU 61 16.591 -17.879 -15.599 486 HG2 GLU 61 2HG GLU 61 18.576 -18.324 -16.863 487 HG3 GLU 61 3HG GLU 61 17.178 -18.935 -17.746 488 H LEU 62 H LEU 62 12.899 -16.814 -16.829 489 HA LEU 62 HA LEU 62 12.610 -19.731 -16.539 490 HB2 LEU 62 2HB LEU 62 10.569 -17.780 -15.562 491 HB3 LEU 62 3HB LEU 62 10.876 -19.432 -15.029 492 HG LEU 62 HG LEU 62 12.657 -17.065 -14.452 493 HD11 LEU 62 1HD1 LEU 62 10.279 -18.122 -13.121 494 HD12 LEU 62 2HD1 LEU 62 11.075 -16.558 -12.955 495 HD13 LEU 62 3HD1 LEU 62 11.681 -17.954 -12.064 496 HD21 LEU 62 3HD2 LEU 62 12.712 -19.828 -13.255 497 HD22 LEU 62 1HD2 LEU 62 13.876 -18.524 -13.021 498 HD23 LEU 62 2HD2 LEU 62 13.748 -19.320 -14.590 499 H GLU 63 H GLU 63 10.697 -20.703 -17.428 500 HA GLU 63 HA GLU 63 9.363 -19.118 -19.511 501 HB2 GLU 63 2HB GLU 63 11.310 -20.876 -20.157 502 HB3 GLU 63 3HB GLU 63 9.920 -21.951 -20.158 503 HG2 GLU 63 2HG GLU 63 9.630 -19.390 -21.603 504 HG3 GLU 63 3HG GLU 63 10.708 -20.593 -22.307 505 H1 GLY -9 H GLY -9 -4.106 5.572 -6.899 506 HA2 GLY -9 2HA GLY -9 -4.100 6.053 -9.327 507 HA3 GLY -9 3HA GLY -9 -4.217 4.317 -9.573 508 H LYS -8 H LYS -8 -6.001 6.215 -10.666 509 HA LYS -8 HA LYS -8 -8.475 5.545 -9.210 510 HB2 LYS -8 2HB LYS -8 -7.818 8.005 -9.302 511 HB3 LYS -8 3HB LYS -8 -8.135 7.926 -11.030 512 HG2 LYS -8 2HG LYS -8 -10.444 7.324 -10.607 513 HG3 LYS -8 3HG LYS -8 -10.141 7.313 -8.868 514 HD2 LYS -8 2HD LYS -8 -9.398 9.744 -9.170 515 HD3 LYS -8 3HD LYS -8 -10.169 9.652 -10.756 516 HE2 LYS -8 2HE LYS -8 -11.650 8.841 -8.281 517 HE3 LYS -8 3HE LYS -8 -11.528 10.539 -8.739 518 HZ1 LYS -8 3HZ LYS -8 -13.374 10.057 -9.899 519 HZ2 LYS -8 1HZ LYS -8 -13.053 8.397 -9.961 520 HZ3 LYS -8 2HZ LYS -8 -12.289 9.447 -11.045 521 H PHE -7 H PHE -7 -7.686 3.624 -10.822 522 HA PHE -7 HA PHE -7 -9.035 4.029 -13.400 523 HB2 PHE -7 2HB PHE -7 -7.306 1.674 -12.652 524 HB3 PHE -7 3HB PHE -7 -7.775 2.208 -14.262 525 HD1 PHE -7 HD1 PHE -7 -7.209 5.100 -14.077 526 HD2 PHE -7 HD2 PHE -7 -4.986 1.745 -12.691 527 HE1 PHE -7 HE1 PHE -7 -5.133 6.409 -14.247 528 HE2 PHE -7 HE2 PHE -7 -2.907 3.049 -12.858 529 HZ PHE -7 HZ PHE -7 -2.978 5.385 -13.636 530 H ILE -6 H ILE -6 -10.882 3.003 -13.868 531 HA ILE -6 HA ILE -6 -11.681 0.658 -12.326 532 HB ILE -6 HB ILE -6 -13.402 3.132 -12.529 533 HG12 ILE -6 2HG1 ILE -6 -11.604 3.199 -10.801 534 HG13 ILE -6 3HG1 ILE -6 -13.227 3.238 -10.119 535 HG21 ILE -6 1HG2 ILE -6 -13.986 0.322 -11.696 536 HG22 ILE -6 2HG2 ILE -6 -14.866 1.664 -10.965 537 HG23 ILE -6 3HG2 ILE -6 -14.934 1.411 -12.709 538 HD11 ILE -6 3HD1 ILE -6 -11.592 0.729 -10.345 539 HD12 ILE -6 1HD1 ILE -6 -11.586 1.776 -8.926 540 HD13 ILE -6 2HD1 ILE -6 -13.077 0.978 -9.427 541 HA PRO -5 HA PRO -5 -12.654 0.134 -16.771 542 HB2 PRO -5 2HB PRO -5 -12.180 -2.539 -16.767 543 HB3 PRO -5 3HB PRO -5 -10.898 -1.337 -16.956 544 HG2 PRO -5 2HG PRO -5 -11.734 -2.846 -14.509 545 HG3 PRO -5 3HG PRO -5 -10.101 -2.492 -15.101 546 HD2 PRO -5 2HD PRO -5 -11.267 -1.077 -13.109 547 HD3 PRO -5 3HD PRO -5 -10.123 -0.348 -14.254 548 H SER -4 H SER -4 -14.678 -0.160 -17.451 549 HA SER -4 HA SER -4 -16.402 -2.051 -15.997 550 HB2 SER -4 2HB SER -4 -17.104 0.120 -15.260 551 HB3 SER -4 3HB SER -4 -17.084 0.751 -16.907 552 HG SER -4 HG SER -4 -19.010 -0.032 -17.209 553 H ARG -3 H ARG -3 -15.434 -3.284 -17.931 554 HA ARG -3 HA ARG -3 -17.463 -3.792 -19.780 555 HB2 ARG -3 2HB ARG -3 -16.286 -3.010 -21.867 556 HB3 ARG -3 3HB ARG -3 -16.966 -1.733 -20.868 557 HG2 ARG -3 2HG ARG -3 -14.665 -1.459 -19.868 558 HG3 ARG -3 3HG ARG -3 -14.083 -2.524 -21.149 559 HD2 ARG -3 2HD ARG -3 -15.608 -0.696 -22.519 560 HD3 ARG -3 3HD ARG -3 -14.868 0.284 -21.253 561 HE ARG -3 HE ARG -3 -13.580 -0.760 -23.545 562 HH11 ARG -3 1HH1 ARG -3 -13.072 -0.147 -20.156 563 HH12 ARG -3 2HH1 ARG -3 -11.356 0.036 -20.313 564 HH21 ARG -3 1HH2 ARG -3 -11.322 -0.520 -23.765 565 HH22 ARG -3 2HH2 ARG -3 -10.362 -0.175 -22.366 566 HA PRO -2 HA PRO -2 -15.076 -7.442 -20.277 567 HB2 PRO -2 2HB PRO -2 -15.897 -8.288 -22.723 568 HB3 PRO -2 3HB PRO -2 -16.921 -8.370 -21.284 569 HG2 PRO -2 2HG PRO -2 -16.905 -6.339 -23.484 570 HG3 PRO -2 3HG PRO -2 -18.286 -7.109 -22.682 571 HD2 PRO -2 2HD PRO -2 -17.447 -4.612 -22.058 572 HD3 PRO -2 3HD PRO -2 -18.175 -5.701 -20.861 573 H ALA -1 H ALA -1 -13.018 -7.814 -20.811 574 HA ALA -1 HA ALA -1 -11.541 -6.054 -22.450 575 HB1 ALA -1 1HB ALA -1 -9.660 -7.346 -21.924 576 HB2 ALA -1 2HB ALA -1 -10.709 -7.495 -20.514 577 HB3 ALA -1 3HB ALA -1 -10.619 -8.807 -21.689 578 HA PRO 0 HA PRO 0 -12.019 -7.711 -26.490 579 HB2 PRO 0 2HB PRO 0 -9.593 -7.129 -27.562 580 HB3 PRO 0 3HB PRO 0 -10.819 -5.899 -27.235 581 HG2 PRO 0 2HG PRO 0 -8.418 -6.657 -25.616 582 HG3 PRO 0 3HG PRO 0 -9.046 -5.043 -25.998 583 HD2 PRO 0 2HD PRO 0 -9.487 -6.252 -23.616 584 HD3 PRO 0 3HD PRO 0 -10.661 -5.146 -24.357 585 H LYS 1 H LYS 1 -10.792 -9.122 -28.135 586 HA LYS 1 HA LYS 1 -9.331 -11.256 -26.726 587 HB2 LYS 1 2HB LYS 1 -10.453 -12.830 -28.385 588 HB3 LYS 1 3HB LYS 1 -11.468 -12.183 -27.102 589 HG2 LYS 1 2HG LYS 1 -12.641 -10.809 -28.539 590 HG3 LYS 1 3HG LYS 1 -11.358 -10.809 -29.751 591 HD2 LYS 1 2HD LYS 1 -11.884 -13.016 -30.439 592 HD3 LYS 1 3HD LYS 1 -12.932 -13.275 -29.042 593 HE2 LYS 1 2HE LYS 1 -14.452 -12.876 -30.742 594 HE3 LYS 1 3HE LYS 1 -14.286 -11.285 -29.999 595 HZ1 LYS 1 3HZ LYS 1 -13.281 -10.447 -31.813 596 HZ2 LYS 1 1HZ LYS 1 -14.067 -11.715 -32.611 597 HZ3 LYS 1 2HZ LYS 1 -12.443 -11.874 -32.166 598 HA PRO 2 HA PRO 2 -6.238 -10.964 -29.827 599 HB2 PRO 2 2HB PRO 2 -5.412 -13.545 -30.003 600 HB3 PRO 2 3HB PRO 2 -5.043 -12.510 -28.618 601 HG2 PRO 2 2HG PRO 2 -7.179 -14.587 -28.915 602 HG3 PRO 2 3HG PRO 2 -6.110 -14.271 -27.536 603 HD2 PRO 2 2HD PRO 2 -8.675 -13.409 -27.618 604 HD3 PRO 2 3HD PRO 2 -7.392 -12.509 -26.785 605 HA PRO 3 HA PRO 3 -7.795 -11.990 -33.810 606 HB2 PRO 3 2HB PRO 3 -5.512 -12.412 -35.217 607 HB3 PRO 3 3HB PRO 3 -6.033 -10.807 -34.690 608 HG2 PRO 3 2HG PRO 3 -4.015 -12.643 -33.457 609 HG3 PRO 3 3HG PRO 3 -3.925 -10.890 -33.712 610 HD2 PRO 3 2HD PRO 3 -4.545 -11.983 -31.314 611 HD3 PRO 3 3HD PRO 3 -5.207 -10.427 -31.854 612 H SER 4 H SER 4 -5.562 -14.229 -32.302 613 HA SER 4 HA SER 4 -6.352 -16.380 -34.112 614 HB2 SER 4 2HB SER 4 -4.013 -16.360 -33.677 615 HB3 SER 4 3HB SER 4 -4.263 -16.175 -31.941 616 HG SER 4 HG SER 4 -4.870 -18.266 -31.793 617 H SER 5 H SER 5 -7.046 -18.453 -33.234 618 HA SER 5 HA SER 5 -8.396 -18.264 -30.633 619 HB2 SER 5 2HB SER 5 -10.177 -17.831 -32.143 620 HB3 SER 5 3HB SER 5 -9.629 -19.075 -33.266 621 HG SER 5 HG SER 5 -10.909 -19.375 -30.773 622 H ALA 6 H ALA 6 -8.554 -20.170 -29.485 623 HA ALA 6 HA ALA 6 -7.235 -22.519 -30.682 624 HB1 ALA 6 1HB ALA 6 -5.900 -21.191 -28.936 625 HB2 ALA 6 2HB ALA 6 -7.026 -21.872 -27.762 626 HB3 ALA 6 3HB ALA 6 -6.017 -22.940 -28.738 Start of MODEL 11 1 H1 MET -4 H MET -4 0.852 1.671 -0.586 2 HA MET -4 HA MET -4 2.289 1.197 -2.422 3 HB2 MET -4 2HB MET -4 3.541 0.362 0.191 4 HB3 MET -4 3HB MET -4 4.463 0.491 -1.301 5 HG2 MET -4 2HG MET -4 4.855 2.553 -0.457 6 HG3 MET -4 3HG MET -4 3.371 2.894 -1.345 7 HE1 MET -4 3HE MET -4 4.992 3.374 2.245 8 HE2 MET -4 1HE MET -4 4.811 4.459 0.866 9 HE3 MET -4 2HE MET -4 3.843 4.711 2.318 10 H ALA -3 H ALA -3 0.406 -1.000 -2.133 11 HA ALA -3 HA ALA -3 1.900 -3.453 -2.251 12 HB1 ALA -3 1HB ALA -3 -0.977 -2.878 -2.947 13 HB2 ALA -3 2HB ALA -3 -0.254 -4.481 -2.818 14 HB3 ALA -3 3HB ALA -3 -0.372 -3.450 -1.392 15 H ILE -2 H ILE -2 3.385 -3.209 -3.928 16 HA ILE -2 HA ILE -2 2.222 -3.473 -6.604 17 HB ILE -2 HB ILE -2 4.516 -1.619 -5.951 18 HG12 ILE -2 2HG1 ILE -2 1.815 -0.934 -7.116 19 HG13 ILE -2 3HG1 ILE -2 2.173 -0.828 -5.396 20 HG21 ILE -2 1HG2 ILE -2 3.565 -1.271 -8.590 21 HG22 ILE -2 2HG2 ILE -2 5.149 -1.838 -8.064 22 HG23 ILE -2 3HG2 ILE -2 3.850 -2.995 -8.352 23 HD11 ILE -2 3HD1 ILE -2 4.219 0.602 -6.470 24 HD12 ILE -2 1HD1 ILE -2 2.901 0.961 -7.586 25 HD13 ILE -2 2HD1 ILE -2 2.712 1.285 -5.862 26 H VAL -1 H VAL -1 2.905 -5.341 -7.394 27 HA VAL -1 HA VAL -1 5.105 -6.784 -6.334 28 HB VAL -1 HB VAL -1 3.657 -7.241 -8.947 29 HG11 VAL -1 1HG1 VAL -1 4.406 -9.625 -8.503 30 HG12 VAL -1 2HG1 VAL -1 5.660 -8.486 -9.000 31 HG13 VAL -1 3HG1 VAL -1 5.508 -8.948 -7.304 32 HG21 VAL -1 3HG2 VAL -1 2.027 -7.284 -7.226 33 HG22 VAL -1 1HG2 VAL -1 2.418 -8.966 -7.583 34 HG23 VAL -1 2HG2 VAL -1 3.088 -8.191 -6.147 35 H ASN 1 H ASN 1 4.726 -4.596 -9.031 36 HA ASN 1 HA ASN 1 6.224 -3.627 -10.441 37 HB2 ASN 1 2HB ASN 1 7.467 -3.535 -8.110 38 HB3 ASN 1 3HB ASN 1 8.540 -4.698 -8.884 39 HD21 ASN 1 1HD2 ASN 1 6.957 -1.598 -9.571 40 HD22 ASN 1 2HD2 ASN 1 8.317 -0.886 -10.363 41 H GLN 2 H GLN 2 5.278 -5.861 -11.453 42 HA GLN 2 HA GLN 2 7.595 -7.409 -12.400 43 HB2 GLN 2 2HB GLN 2 5.689 -8.615 -11.239 44 HB3 GLN 2 3HB GLN 2 4.693 -8.202 -12.628 45 HG2 GLN 2 2HG GLN 2 5.563 -10.468 -12.790 46 HG3 GLN 2 3HG GLN 2 6.174 -9.447 -14.090 47 HE21 GLN 2 1HE2 GLN 2 7.957 -10.734 -14.461 48 HE22 GLN 2 2HE2 GLN 2 9.288 -10.823 -13.363 49 H ARG 3 H ARG 3 8.255 -7.091 -14.414 50 HA ARG 3 HA ARG 3 6.850 -5.331 -16.174 51 HB2 ARG 3 2HB ARG 3 8.712 -5.536 -17.628 52 HB3 ARG 3 3HB ARG 3 9.365 -5.568 -15.995 53 HG2 ARG 3 2HG ARG 3 9.012 -8.209 -16.437 54 HG3 ARG 3 3HG ARG 3 9.360 -7.643 -18.071 55 HD2 ARG 3 2HD ARG 3 11.489 -8.016 -17.344 56 HD3 ARG 3 3HD ARG 3 11.293 -6.344 -16.820 57 HE ARG 3 HE ARG 3 10.440 -7.928 -14.721 58 HH11 ARG 3 1HH1 ARG 3 13.382 -7.405 -16.508 59 HH12 ARG 3 2HH1 ARG 3 14.415 -7.793 -15.172 60 HH21 ARG 3 1HH2 ARG 3 11.790 -8.441 -12.956 61 HH22 ARG 3 2HH2 ARG 3 13.509 -8.383 -13.153 62 H ALA 4 H ALA 4 6.359 -5.907 -18.450 63 HA ALA 4 HA ALA 4 5.802 -8.678 -19.037 64 HB1 ALA 4 1HB ALA 4 3.489 -8.637 -19.063 65 HB2 ALA 4 2HB ALA 4 3.867 -7.710 -17.611 66 HB3 ALA 4 3HB ALA 4 3.418 -6.875 -19.098 67 H VAL 5 H VAL 5 5.185 -9.030 -21.233 68 HA VAL 5 HA VAL 5 5.938 -6.792 -22.983 69 HB VAL 5 HB VAL 5 7.273 -8.893 -23.140 70 HG11 VAL 5 1HG1 VAL 5 5.369 -10.363 -24.733 71 HG12 VAL 5 2HG1 VAL 5 6.328 -10.896 -23.350 72 HG13 VAL 5 3HG1 VAL 5 4.767 -10.115 -23.094 73 HG21 VAL 5 3HG2 VAL 5 7.066 -7.288 -25.016 74 HG22 VAL 5 1HG2 VAL 5 7.335 -8.947 -25.551 75 HG23 VAL 5 2HG2 VAL 5 5.722 -8.241 -25.645 76 H ALA 6 H ALA 6 4.726 -6.311 -24.841 77 HA ALA 6 HA ALA 6 1.891 -6.890 -24.567 78 HB1 ALA 6 1HB ALA 6 1.921 -5.264 -26.661 79 HB2 ALA 6 2HB ALA 6 2.068 -4.664 -25.008 80 HB3 ALA 6 3HB ALA 6 3.509 -4.861 -26.006 81 H LEU 7 H LEU 7 1.270 -8.788 -25.403 82 HA LEU 7 HA LEU 7 2.545 -10.028 -27.628 83 HB2 LEU 7 2HB LEU 7 -0.202 -10.695 -26.619 84 HB3 LEU 7 3HB LEU 7 0.973 -11.760 -27.388 85 HG LEU 7 HG LEU 7 1.260 -10.581 -24.625 86 HD11 LEU 7 1HD1 LEU 7 0.299 -12.413 -23.733 87 HD12 LEU 7 2HD1 LEU 7 0.886 -13.478 -25.009 88 HD13 LEU 7 3HD1 LEU 7 -0.535 -12.471 -25.286 89 HD21 LEU 7 3HD2 LEU 7 2.820 -12.928 -25.192 90 HD22 LEU 7 1HD2 LEU 7 3.347 -11.338 -24.638 91 HD23 LEU 7 2HD2 LEU 7 3.171 -11.657 -26.364 92 H TYR 8 H TYR 8 -0.351 -8.074 -27.216 93 HA TYR 8 HA TYR 8 -0.459 -7.705 -30.111 94 HB2 TYR 8 2HB TYR 8 -3.034 -8.179 -28.649 95 HB3 TYR 8 3HB TYR 8 -2.692 -8.319 -30.370 96 HD1 TYR 8 HD2 TYR 8 -1.160 -10.248 -31.110 97 HD2 TYR 8 HD1 TYR 8 -3.026 -10.077 -27.290 98 HE1 TYR 8 HE2 TYR 8 -0.850 -12.675 -30.856 99 HE2 TYR 8 HE1 TYR 8 -2.719 -12.503 -27.025 100 HH TYR 8 HH TYR 8 -1.999 -14.548 -29.520 101 H ASP 9 H ASP 9 -1.540 -5.789 -30.770 102 HA ASP 9 HA ASP 9 -1.268 -3.638 -28.899 103 HB2 ASP 9 2HB ASP 9 -1.741 -2.189 -30.731 104 HB3 ASP 9 3HB ASP 9 -0.768 -3.507 -31.377 105 H PHE 10 H PHE 10 -2.831 -2.421 -27.922 106 HA PHE 10 HA PHE 10 -5.637 -2.979 -28.462 107 HB2 PHE 10 2HB PHE 10 -5.451 -4.569 -26.781 108 HB3 PHE 10 3HB PHE 10 -4.231 -3.650 -25.906 109 HD1 PHE 10 HD1 PHE 10 -7.821 -3.985 -26.596 110 HD2 PHE 10 HD2 PHE 10 -4.842 -1.988 -24.304 111 HE1 PHE 10 HE1 PHE 10 -9.565 -3.109 -25.098 112 HE2 PHE 10 HE2 PHE 10 -6.581 -1.109 -22.802 113 HZ PHE 10 HZ PHE 10 -8.947 -1.670 -23.198 114 H GLU 11 H GLU 11 -7.026 -1.320 -27.877 115 HA GLU 11 HA GLU 11 -5.701 1.143 -26.950 116 HB2 GLU 11 2HB GLU 11 -7.269 0.634 -29.268 117 HB3 GLU 11 3HB GLU 11 -8.187 1.714 -28.229 118 HG2 GLU 11 2HG GLU 11 -6.657 3.409 -28.400 119 HG3 GLU 11 3HG GLU 11 -5.321 2.315 -28.750 120 HA PRO 12 HA PRO 12 -8.355 1.161 -23.441 121 HB2 PRO 12 2HB PRO 12 -8.318 3.816 -22.876 122 HB3 PRO 12 3HB PRO 12 -6.943 2.749 -22.568 123 HG2 PRO 12 2HG PRO 12 -7.414 4.617 -24.859 124 HG3 PRO 12 3HG PRO 12 -5.928 4.333 -23.934 125 HD2 PRO 12 2HD PRO 12 -6.364 3.228 -26.367 126 HD3 PRO 12 3HD PRO 12 -5.417 2.415 -25.105 127 H GLU 13 H GLU 13 -10.470 1.576 -22.857 128 HA GLU 13 HA GLU 13 -12.125 2.859 -24.926 129 HB2 GLU 13 2HB GLU 13 -12.636 0.503 -24.640 130 HB3 GLU 13 3HB GLU 13 -12.834 0.725 -22.907 131 HG2 GLU 13 2HG GLU 13 -14.989 0.563 -23.953 132 HG3 GLU 13 3HG GLU 13 -14.755 2.197 -23.336 133 H ASN 14 H ASN 14 -11.111 3.019 -21.662 134 HA ASN 14 HA ASN 14 -13.223 4.976 -21.047 135 HB2 ASN 14 2HB ASN 14 -11.519 3.271 -19.223 136 HB3 ASN 14 3HB ASN 14 -12.546 4.580 -18.646 137 HD21 ASN 14 1HD2 ASN 14 -12.579 1.542 -20.429 138 HD22 ASN 14 2HD2 ASN 14 -14.190 1.095 -19.994 139 H ASP 15 H ASP 15 -12.355 6.598 -19.287 140 HA ASP 15 HA ASP 15 -10.073 7.924 -20.519 141 HB2 ASP 15 2HB ASP 15 -11.701 9.016 -18.236 142 HB3 ASP 15 3HB ASP 15 -10.794 9.899 -19.461 143 H ASN 16 H ASN 16 -9.919 5.512 -18.690 144 HA ASN 16 HA ASN 16 -7.790 6.580 -16.995 145 HB2 ASN 16 2HB ASN 16 -8.703 4.867 -15.211 146 HB3 ASN 16 3HB ASN 16 -9.362 6.497 -15.306 147 HD21 ASN 16 1HD2 ASN 16 -9.946 3.136 -15.818 148 HD22 ASN 16 2HD2 ASN 16 -11.640 3.262 -16.138 149 H GLU 17 H GLU 17 -8.366 4.717 -19.430 150 HA GLU 17 HA GLU 17 -6.916 2.351 -18.477 151 HB2 GLU 17 2HB GLU 17 -8.637 2.882 -20.881 152 HB3 GLU 17 3HB GLU 17 -7.525 1.521 -20.855 153 HG2 GLU 17 2HG GLU 17 -8.702 0.988 -18.583 154 HG3 GLU 17 3HG GLU 17 -9.990 1.987 -19.254 155 H LEU 18 H LEU 18 -5.174 1.496 -19.803 156 HA LEU 18 HA LEU 18 -3.614 3.662 -21.033 157 HB2 LEU 18 2HB LEU 18 -2.818 2.222 -19.004 158 HB3 LEU 18 3HB LEU 18 -2.450 1.027 -20.245 159 HG LEU 18 HG LEU 18 -1.353 3.623 -20.911 160 HD11 LEU 18 1HD1 LEU 18 -0.737 2.451 -18.222 161 HD12 LEU 18 2HD1 LEU 18 -1.084 4.126 -18.650 162 HD13 LEU 18 3HD1 LEU 18 0.456 3.400 -19.110 163 HD21 LEU 18 3HD2 LEU 18 0.444 1.396 -20.304 164 HD22 LEU 18 1HD2 LEU 18 0.262 2.341 -21.782 165 HD23 LEU 18 2HD2 LEU 18 -0.835 1.000 -21.454 166 H ARG 19 H ARG 19 -2.348 3.190 -22.926 167 HA ARG 19 HA ARG 19 -3.754 1.387 -24.733 168 HB2 ARG 19 2HB ARG 19 -1.474 3.157 -25.546 169 HB3 ARG 19 3HB ARG 19 -2.848 2.614 -26.498 170 HG2 ARG 19 2HG ARG 19 -4.068 4.061 -24.537 171 HG3 ARG 19 3HG ARG 19 -2.562 4.951 -24.771 172 HD2 ARG 19 2HD ARG 19 -3.203 4.609 -27.323 173 HD3 ARG 19 3HD ARG 19 -4.826 4.505 -26.642 174 HE ARG 19 HE ARG 19 -3.812 6.747 -25.509 175 HH11 ARG 19 1HH1 ARG 19 -4.092 5.628 -28.794 176 HH12 ARG 19 2HH1 ARG 19 -4.230 7.221 -29.462 177 HH21 ARG 19 1HH2 ARG 19 -3.992 8.848 -26.377 178 HH22 ARG 19 2HH2 ARG 19 -4.172 9.052 -28.086 179 H LEU 20 H LEU 20 -2.639 -0.119 -26.082 180 HA LEU 20 HA LEU 20 0.039 -0.899 -25.179 181 HB2 LEU 20 2HB LEU 20 -2.268 -2.259 -24.454 182 HB3 LEU 20 3HB LEU 20 -1.620 -3.194 -25.800 183 HG LEU 20 HG LEU 20 0.420 -3.602 -24.630 184 HD11 LEU 20 1HD1 LEU 20 0.256 -2.654 -22.094 185 HD12 LEU 20 2HD1 LEU 20 -0.471 -1.330 -23.004 186 HD13 LEU 20 3HD1 LEU 20 1.158 -1.880 -23.398 187 HD21 LEU 20 3HD2 LEU 20 -0.891 -4.254 -22.269 188 HD22 LEU 20 1HD2 LEU 20 -0.709 -5.275 -23.696 189 HD23 LEU 20 2HD2 LEU 20 -2.153 -4.281 -23.502 190 H ALA 21 H ALA 21 1.283 -2.023 -26.715 191 HA ALA 21 HA ALA 21 0.145 -2.363 -29.386 192 HB1 ALA 21 1HB ALA 21 1.041 -0.444 -30.085 193 HB2 ALA 21 2HB ALA 21 2.019 -0.271 -28.627 194 HB3 ALA 21 3HB ALA 21 2.599 -1.264 -29.965 195 H GLU 22 H GLU 22 0.977 -4.062 -30.488 196 HA GLU 22 HA GLU 22 2.303 -6.108 -29.215 197 HB2 GLU 22 2HB GLU 22 1.092 -6.372 -31.337 198 HB3 GLU 22 3HB GLU 22 2.353 -5.476 -32.171 199 HG2 GLU 22 2HG GLU 22 3.669 -7.537 -30.821 200 HG3 GLU 22 3HG GLU 22 2.222 -8.266 -31.514 201 H GLY 23 H GLY 23 4.293 -6.295 -28.443 202 HA2 GLY 23 2HA GLY 23 6.650 -6.360 -28.687 203 HA3 GLY 23 3HA GLY 23 6.527 -5.141 -29.947 204 H ASP 24 H ASP 24 4.547 -4.096 -27.568 205 HA ASP 24 HA ASP 24 6.518 -2.180 -26.636 206 HB2 ASP 24 2HB ASP 24 3.535 -2.400 -26.200 207 HB3 ASP 24 3HB ASP 24 4.533 -1.118 -25.520 208 H ILE 25 H ILE 25 7.069 -1.826 -24.480 209 HA ILE 25 HA ILE 25 6.680 -4.163 -22.747 210 HB ILE 25 HB ILE 25 8.733 -1.956 -22.550 211 HG12 ILE 25 2HG1 ILE 25 8.782 -3.800 -24.444 212 HG13 ILE 25 3HG1 ILE 25 10.254 -3.330 -23.602 213 HG21 ILE 25 1HG2 ILE 25 8.282 -4.443 -20.918 214 HG22 ILE 25 2HG2 ILE 25 9.799 -3.545 -20.912 215 HG23 ILE 25 3HG2 ILE 25 8.314 -2.769 -20.363 216 HD11 ILE 25 3HD1 ILE 25 8.612 -5.624 -22.621 217 HD12 ILE 25 1HD1 ILE 25 9.749 -5.828 -23.953 218 HD13 ILE 25 2HD1 ILE 25 10.326 -5.288 -22.376 219 H VAL 26 H VAL 26 5.889 -3.988 -20.684 220 HA VAL 26 HA VAL 26 5.170 -1.342 -19.668 221 HB VAL 26 HB VAL 26 2.899 -2.416 -18.986 222 HG11 VAL 26 1HG1 VAL 26 2.908 -0.502 -20.361 223 HG12 VAL 26 2HG1 VAL 26 3.589 -1.389 -21.726 224 HG13 VAL 26 3HG1 VAL 26 1.927 -1.692 -21.217 225 HG21 VAL 26 3HG2 VAL 26 3.425 -4.669 -19.777 226 HG22 VAL 26 1HG2 VAL 26 2.022 -4.008 -20.617 227 HG23 VAL 26 2HG2 VAL 26 3.591 -4.057 -21.422 228 H PHE 27 H PHE 27 4.550 -1.371 -17.393 229 HA PHE 27 HA PHE 27 5.725 -3.666 -15.967 230 HB2 PHE 27 2HB PHE 27 5.697 -0.746 -15.176 231 HB3 PHE 27 3HB PHE 27 6.305 -2.053 -14.166 232 HD1 PHE 27 HD1 PHE 27 7.972 -3.667 -15.670 233 HD2 PHE 27 HD2 PHE 27 7.344 0.518 -16.125 234 HE1 PHE 27 HE1 PHE 27 10.185 -3.453 -16.724 235 HE2 PHE 27 HE2 PHE 27 9.555 0.739 -17.180 236 HZ PHE 27 HZ PHE 27 10.979 -1.248 -17.482 237 H ILE 28 H ILE 28 4.095 -4.862 -15.214 238 HA ILE 28 HA ILE 28 1.540 -3.790 -14.533 239 HB ILE 28 HB ILE 28 2.569 -6.497 -13.709 240 HG12 ILE 28 2HG1 ILE 28 3.055 -6.219 -16.085 241 HG13 ILE 28 3HG1 ILE 28 1.716 -7.341 -15.868 242 HG21 ILE 28 1HG2 ILE 28 -0.163 -5.356 -14.249 243 HG22 ILE 28 2HG2 ILE 28 0.150 -7.082 -14.075 244 HG23 ILE 28 3HG2 ILE 28 0.467 -5.988 -12.729 245 HD11 ILE 28 3HD1 ILE 28 0.733 -6.123 -17.456 246 HD12 ILE 28 1HD1 ILE 28 0.400 -4.985 -16.151 247 HD13 ILE 28 2HD1 ILE 28 1.799 -4.742 -17.197 248 H SER 29 H SER 29 1.460 -2.417 -12.848 249 HA SER 29 HA SER 29 3.083 -2.563 -10.548 250 HB2 SER 29 2HB SER 29 0.623 -1.051 -11.314 251 HB3 SER 29 3HB SER 29 1.092 -1.082 -9.614 252 HG SER 29 HG SER 29 2.131 0.644 -10.485 253 H TYR 30 H TYR 30 -0.152 -3.776 -11.255 254 HA TYR 30 HA TYR 30 0.019 -5.867 -9.377 255 HB2 TYR 30 2HB TYR 30 -1.469 -5.166 -7.652 256 HB3 TYR 30 3HB TYR 30 -0.271 -3.889 -7.829 257 HD1 TYR 30 HD1 TYR 30 -3.781 -4.817 -8.357 258 HD2 TYR 30 HD2 TYR 30 -0.890 -1.711 -8.684 259 HE1 TYR 30 HE1 TYR 30 -5.587 -3.177 -8.669 260 HE2 TYR 30 HE2 TYR 30 -2.689 -0.063 -8.996 261 HH TYR 30 HH TYR 30 -6.092 -1.059 -9.132 262 H LYS 31 H LYS 31 -1.703 -7.310 -9.538 263 HA LYS 31 HA LYS 31 -3.303 -7.008 -11.920 264 HB2 LYS 31 2HB LYS 31 -2.418 -9.174 -11.611 265 HB3 LYS 31 3HB LYS 31 -2.913 -9.227 -9.924 266 HG2 LYS 31 2HG LYS 31 -5.193 -9.509 -10.511 267 HG3 LYS 31 3HG LYS 31 -4.866 -9.152 -12.208 268 HD2 LYS 31 2HD LYS 31 -3.880 -11.209 -12.586 269 HD3 LYS 31 3HD LYS 31 -3.480 -11.445 -10.882 270 HE2 LYS 31 2HE LYS 31 -6.349 -11.232 -11.418 271 HE3 LYS 31 3HE LYS 31 -5.577 -12.611 -12.199 272 HZ1 LYS 31 3HZ LYS 31 -4.714 -13.306 -10.061 273 HZ2 LYS 31 1HZ LYS 31 -6.398 -13.163 -9.988 274 HZ3 LYS 31 2HZ LYS 31 -5.417 -11.967 -9.303 275 H HIS 32 H HIS 32 -5.543 -6.952 -12.043 276 HA HIS 32 HA HIS 32 -7.013 -6.593 -9.527 277 HB2 HIS 32 2HB HIS 32 -6.329 -4.386 -10.697 278 HB3 HIS 32 3HB HIS 32 -7.557 -4.810 -11.887 279 HD1 HIS 32 HD1 HIS 32 -7.469 -4.679 -8.075 280 HD2 HIS 32 HD2 HIS 32 -9.873 -3.582 -11.281 281 HE1 HIS 32 HE1 HIS 32 -9.486 -3.575 -7.056 282 H GLY 33 H GLY 33 -9.263 -7.039 -9.648 283 HA2 GLY 33 2HA GLY 33 -9.956 -9.242 -11.216 284 HA3 GLY 33 3HA GLY 33 -11.098 -8.225 -10.350 285 H GLN 34 H GLN 34 -12.280 -9.036 -12.407 286 HA GLN 34 HA GLN 34 -13.376 -8.427 -14.307 287 HB2 GLN 34 2HB GLN 34 -11.911 -5.795 -14.170 288 HB3 GLN 34 3HB GLN 34 -13.455 -6.131 -14.941 289 HG2 GLN 34 2HG GLN 34 -14.332 -5.269 -13.081 290 HG3 GLN 34 3HG GLN 34 -13.976 -6.844 -12.375 291 HE21 GLN 34 1HE2 GLN 34 -13.160 -6.621 -10.430 292 HE22 GLN 34 2HE2 GLN 34 -12.009 -5.432 -9.933 293 H GLY 35 H GLY 35 -10.353 -9.255 -14.150 294 HA2 GLY 35 2HA GLY 35 -8.831 -9.972 -15.717 295 HA3 GLY 35 3HA GLY 35 -10.032 -9.609 -16.948 296 H TRP 36 H TRP 36 -8.897 -7.185 -14.711 297 HA TRP 36 HA TRP 36 -7.372 -5.939 -16.904 298 HB2 TRP 36 2HB TRP 36 -9.220 -4.651 -14.894 299 HB3 TRP 36 3HB TRP 36 -8.064 -3.733 -15.855 300 HD1 TRP 36 HD1 TRP 36 -11.478 -5.283 -16.018 301 HE1 TRP 36 HE1 TRP 36 -12.507 -4.871 -18.341 302 HE3 TRP 36 HE3 TRP 36 -7.333 -3.528 -18.442 303 HZ2 TRP 36 HZ2 TRP 36 -11.672 -3.928 -20.867 304 HZ3 TRP 36 HZ3 TRP 36 -7.532 -2.893 -20.811 305 HH2 TRP 36 HH2 TRP 36 -9.658 -3.090 -21.997 306 H LEU 37 H LEU 37 -5.366 -5.223 -16.442 307 HA LEU 37 HA LEU 37 -4.508 -5.310 -13.624 308 HB2 LEU 37 2HB LEU 37 -2.523 -5.762 -15.778 309 HB3 LEU 37 3HB LEU 37 -2.591 -6.423 -14.146 310 HG LEU 37 HG LEU 37 -4.227 -7.337 -16.511 311 HD11 LEU 37 1HD1 LEU 37 -2.574 -8.743 -16.955 312 HD12 LEU 37 2HD1 LEU 37 -2.610 -9.351 -15.300 313 HD13 LEU 37 3HD1 LEU 37 -1.599 -7.965 -15.708 314 HD21 LEU 37 3HD2 LEU 37 -4.506 -7.754 -13.629 315 HD22 LEU 37 1HD2 LEU 37 -4.461 -9.243 -14.573 316 HD23 LEU 37 2HD2 LEU 37 -5.667 -8.008 -14.933 317 H VAL 38 H VAL 38 -3.493 -3.559 -12.846 318 HA VAL 38 HA VAL 38 -3.317 -1.210 -14.502 319 HB VAL 38 HB VAL 38 -2.450 -1.566 -11.630 320 HG11 VAL 38 1HG1 VAL 38 -2.700 0.881 -11.520 321 HG12 VAL 38 2HG1 VAL 38 -1.456 0.387 -12.670 322 HG13 VAL 38 3HG1 VAL 38 -3.038 0.910 -13.250 323 HG21 VAL 38 3HG2 VAL 38 -4.729 -2.064 -11.603 324 HG22 VAL 38 1HG2 VAL 38 -4.677 -0.339 -11.239 325 HG23 VAL 38 2HG2 VAL 38 -5.099 -0.885 -12.862 326 H ALA 39 H ALA 39 -1.655 -0.993 -15.854 327 HA ALA 39 HA ALA 39 1.051 -1.509 -14.815 328 HB1 ALA 39 1HB ALA 39 0.688 -1.880 -17.710 329 HB2 ALA 39 2HB ALA 39 1.649 -2.805 -16.554 330 HB3 ALA 39 3HB ALA 39 -0.086 -3.092 -16.688 331 H GLU 40 H GLU 40 2.753 -0.309 -15.973 332 HA GLU 40 HA GLU 40 1.740 2.261 -17.001 333 HB2 GLU 40 2HB GLU 40 3.604 3.378 -15.973 334 HB3 GLU 40 3HB GLU 40 2.805 2.399 -14.751 335 HG2 GLU 40 2HG GLU 40 4.847 0.844 -15.989 336 HG3 GLU 40 3HG GLU 40 5.521 2.396 -15.492 337 H ASN 41 H ASN 41 3.144 3.377 -18.521 338 HA ASN 41 HA ASN 41 3.957 1.764 -20.647 339 HB2 ASN 41 2HB ASN 41 4.966 3.816 -21.584 340 HB3 ASN 41 3HB ASN 41 3.348 4.107 -20.953 341 HD21 ASN 41 1HD2 ASN 41 4.850 6.247 -21.335 342 HD22 ASN 41 2HD2 ASN 41 5.431 6.893 -19.842 343 H GLU 42 H GLU 42 6.351 2.401 -21.593 344 HA GLU 42 HA GLU 42 8.134 0.912 -19.902 345 HB2 GLU 42 2HB GLU 42 8.023 0.750 -22.427 346 HB3 GLU 42 3HB GLU 42 8.819 2.316 -22.483 347 HG2 GLU 42 2HG GLU 42 10.027 0.042 -20.965 348 HG3 GLU 42 3HG GLU 42 10.238 0.184 -22.709 349 H SER 43 H SER 43 7.753 4.262 -20.883 350 HA SER 43 HA SER 43 10.230 5.185 -19.842 351 HB2 SER 43 2HB SER 43 9.047 6.488 -21.516 352 HB3 SER 43 3HB SER 43 7.659 6.668 -20.442 353 HG SER 43 HG SER 43 9.079 8.504 -20.462 354 H GLY 44 H GLY 44 7.204 4.388 -18.414 355 HA2 GLY 44 2HA GLY 44 6.654 4.222 -16.175 356 HA3 GLY 44 3HA GLY 44 8.250 4.841 -15.779 357 H SER 45 H SER 45 6.171 6.593 -17.942 358 HA SER 45 HA SER 45 5.803 8.630 -15.847 359 HB2 SER 45 2HB SER 45 5.580 9.268 -18.766 360 HB3 SER 45 3HB SER 45 6.063 10.311 -17.429 361 HG SER 45 HG SER 45 7.608 8.866 -19.063 362 H LYS 46 H LYS 46 4.231 6.557 -18.096 363 HA LYS 46 HA LYS 46 1.642 7.812 -17.455 364 HB2 LYS 46 2HB LYS 46 1.514 8.009 -19.703 365 HB3 LYS 46 3HB LYS 46 2.760 6.800 -19.980 366 HG2 LYS 46 2HG LYS 46 1.236 5.036 -19.899 367 HG3 LYS 46 3HG LYS 46 0.002 6.020 -19.108 368 HD2 LYS 46 2HD LYS 46 1.001 6.517 -21.908 369 HD3 LYS 46 3HD LYS 46 -0.422 5.542 -21.533 370 HE2 LYS 46 2HE LYS 46 -1.300 7.563 -20.279 371 HE3 LYS 46 3HE LYS 46 0.009 8.477 -21.027 372 HZ1 LYS 46 3HZ LYS 46 -0.911 7.582 -23.208 373 HZ2 LYS 46 1HZ LYS 46 -1.805 8.789 -22.429 374 HZ3 LYS 46 2HZ LYS 46 -2.299 7.174 -22.332 375 H THR 47 H THR 47 0.185 6.611 -16.407 376 HA THR 47 HA THR 47 0.590 3.695 -16.301 377 HB THR 47 HB THR 47 -0.439 5.277 -13.953 378 HG1 THR 47 HG1 THR 47 1.644 5.326 -13.160 379 HG21 THR 47 3HG2 THR 47 0.872 3.001 -13.085 380 HG22 THR 47 1HG2 THR 47 0.058 2.474 -14.558 381 HG23 THR 47 2HG2 THR 47 -0.873 3.198 -13.246 382 H GLY 48 H GLY 48 -1.287 2.419 -16.066 383 HA2 GLY 48 2HA GLY 48 -3.893 3.454 -15.774 384 HA3 GLY 48 3HA GLY 48 -3.534 3.289 -17.487 385 H LEU 49 H LEU 49 -5.306 1.753 -17.505 386 HA LEU 49 HA LEU 49 -4.680 -0.834 -16.269 387 HB2 LEU 49 2HB LEU 49 -7.229 0.062 -17.604 388 HB3 LEU 49 3HB LEU 49 -6.984 -1.432 -16.701 389 HG LEU 49 HG LEU 49 -6.502 1.100 -15.242 390 HD11 LEU 49 1HD1 LEU 49 -8.954 1.273 -14.761 391 HD12 LEU 49 2HD1 LEU 49 -9.233 0.189 -16.124 392 HD13 LEU 49 3HD1 LEU 49 -8.479 1.761 -16.388 393 HD21 LEU 49 3HD2 LEU 49 -7.252 -0.131 -13.400 394 HD22 LEU 49 1HD2 LEU 49 -6.341 -1.297 -14.362 395 HD23 LEU 49 2HD2 LEU 49 -8.104 -1.299 -14.412 396 H VAL 50 H VAL 50 -4.405 -2.679 -17.458 397 HA VAL 50 HA VAL 50 -4.616 -2.490 -20.378 398 HB VAL 50 HB VAL 50 -2.459 -3.499 -20.733 399 HG11 VAL 50 1HG1 VAL 50 -1.313 -1.571 -20.572 400 HG12 VAL 50 2HG1 VAL 50 -2.842 -0.925 -19.972 401 HG13 VAL 50 3HG1 VAL 50 -1.591 -1.432 -18.836 402 HG21 VAL 50 3HG2 VAL 50 -0.911 -3.973 -18.918 403 HG22 VAL 50 1HG2 VAL 50 -2.109 -3.442 -17.737 404 HG23 VAL 50 2HG2 VAL 50 -2.404 -4.886 -18.705 405 HA PRO 51 HA PRO 51 -6.366 -6.510 -20.147 406 HB2 PRO 51 2HB PRO 51 -5.582 -7.562 -22.524 407 HB3 PRO 51 3HB PRO 51 -6.822 -6.310 -22.390 408 HG2 PRO 51 2HG PRO 51 -3.924 -6.038 -23.089 409 HG3 PRO 51 3HG PRO 51 -5.331 -5.252 -23.827 410 HD2 PRO 51 2HD PRO 51 -3.735 -3.998 -22.035 411 HD3 PRO 51 3HD PRO 51 -5.474 -3.663 -22.164 412 H GLU 52 H GLU 52 -5.874 -8.540 -19.452 413 HA GLU 52 HA GLU 52 -3.061 -9.115 -18.971 414 HB2 GLU 52 2HB GLU 52 -4.672 -9.345 -17.124 415 HB3 GLU 52 3HB GLU 52 -5.544 -10.567 -18.039 416 HG2 GLU 52 2HG GLU 52 -3.875 -12.147 -17.772 417 HG3 GLU 52 3HG GLU 52 -2.648 -10.935 -17.410 418 H GLU 53 H GLU 53 -5.703 -10.204 -20.944 419 HA GLU 53 HA GLU 53 -4.362 -12.654 -21.721 420 HB2 GLU 53 2HB GLU 53 -7.030 -11.686 -21.789 421 HB3 GLU 53 3HB GLU 53 -6.551 -12.018 -23.447 422 HG2 GLU 53 2HG GLU 53 -7.556 -13.983 -22.597 423 HG3 GLU 53 3HG GLU 53 -5.823 -14.286 -22.695 424 H PHE 54 H PHE 54 -3.602 -9.656 -22.363 425 HA PHE 54 HA PHE 54 -3.020 -10.160 -25.208 426 HB2 PHE 54 2HB PHE 54 -4.131 -7.813 -23.854 427 HB3 PHE 54 3HB PHE 54 -2.761 -7.433 -24.893 428 HD1 PHE 54 HD2 PHE 54 -5.268 -10.103 -25.422 429 HD2 PHE 54 HD1 PHE 54 -3.826 -6.287 -26.637 430 HE1 PHE 54 HE2 PHE 54 -6.746 -10.174 -27.388 431 HE2 PHE 54 HE1 PHE 54 -5.302 -6.351 -28.604 432 HZ PHE 54 HZ PHE 54 -6.764 -8.297 -28.982 433 H VAL 55 H VAL 55 -1.752 -9.673 -22.116 434 HA VAL 55 HA VAL 55 0.899 -9.011 -23.224 435 HB VAL 55 HB VAL 55 1.488 -8.243 -20.929 436 HG11 VAL 55 1HG1 VAL 55 0.856 -6.145 -21.440 437 HG12 VAL 55 2HG1 VAL 55 0.235 -6.888 -22.915 438 HG13 VAL 55 3HG1 VAL 55 -0.849 -6.578 -21.559 439 HG21 VAL 55 3HG2 VAL 55 -1.082 -7.714 -19.893 440 HG22 VAL 55 1HG2 VAL 55 -1.040 -9.424 -20.320 441 HG23 VAL 55 2HG2 VAL 55 0.167 -8.760 -19.219 442 H SER 56 H SER 56 2.735 -9.904 -21.885 443 HA SER 56 HA SER 56 2.108 -12.497 -20.675 444 HB2 SER 56 2HB SER 56 2.638 -13.009 -22.998 445 HB3 SER 56 3HB SER 56 4.130 -12.075 -22.890 446 HG SER 56 HG SER 56 4.424 -14.364 -22.628 447 H TYR 57 H TYR 57 2.975 -12.491 -18.720 448 HA TYR 57 HA TYR 57 4.770 -10.642 -17.717 449 HB2 TYR 57 2HB TYR 57 3.796 -13.306 -16.842 450 HB3 TYR 57 3HB TYR 57 5.254 -12.704 -16.063 451 HD1 TYR 57 HD1 TYR 57 2.309 -10.762 -17.240 452 HD2 TYR 57 HD2 TYR 57 4.529 -12.183 -13.900 453 HE1 TYR 57 HE1 TYR 57 0.931 -9.378 -15.744 454 HE2 TYR 57 HE2 TYR 57 3.157 -10.804 -12.394 455 HH TYR 57 HH TYR 57 0.970 -9.740 -12.353 456 H ILE 58 H ILE 58 6.931 -10.427 -17.676 457 HA ILE 58 HA ILE 58 8.505 -12.416 -19.155 458 HB ILE 58 HB ILE 58 9.333 -9.614 -18.404 459 HG12 ILE 58 2HG1 ILE 58 8.257 -10.592 -21.056 460 HG13 ILE 58 3HG1 ILE 58 7.323 -9.664 -19.888 461 HG21 ILE 58 1HG2 ILE 58 10.741 -10.296 -20.619 462 HG22 ILE 58 2HG2 ILE 58 11.325 -10.487 -18.966 463 HG23 ILE 58 3HG2 ILE 58 10.602 -11.856 -19.810 464 HD11 ILE 58 3HD1 ILE 58 9.808 -8.346 -20.480 465 HD12 ILE 58 1HD1 ILE 58 8.903 -8.683 -21.955 466 HD13 ILE 58 2HD1 ILE 58 8.153 -7.762 -20.651 467 H GLN 59 H GLN 59 10.503 -13.158 -18.355 468 HA GLN 59 HA GLN 59 10.635 -13.197 -15.437 469 HB2 GLN 59 2HB GLN 59 12.169 -15.088 -15.727 470 HB3 GLN 59 3HB GLN 59 10.657 -15.353 -16.586 471 HG2 GLN 59 2HG GLN 59 12.844 -14.117 -18.132 472 HG3 GLN 59 3HG GLN 59 13.065 -15.801 -17.657 473 HE21 GLN 59 1HE2 GLN 59 10.794 -17.010 -17.917 474 HE22 GLN 59 2HE2 GLN 59 10.126 -16.861 -19.504 475 HA PRO 60 HA PRO 60 14.155 -10.597 -15.118 476 HB2 PRO 60 2HB PRO 60 15.472 -11.734 -13.033 477 HB3 PRO 60 3HB PRO 60 13.970 -10.823 -12.839 478 HG2 PRO 60 2HG PRO 60 14.385 -13.784 -12.966 479 HG3 PRO 60 3HG PRO 60 13.343 -12.846 -11.880 480 HD2 PRO 60 2HD PRO 60 12.388 -14.140 -14.059 481 HD3 PRO 60 3HD PRO 60 11.681 -12.625 -13.463 482 H GLU 61 H GLU 61 15.011 -14.049 -14.811 483 HA GLU 61 HA GLU 61 16.910 -13.860 -16.953 484 HB2 GLU 61 2HB GLU 61 18.041 -12.959 -14.785 485 HB3 GLU 61 3HB GLU 61 18.100 -14.652 -14.316 486 HG2 GLU 61 2HG GLU 61 20.083 -14.623 -15.345 487 HG3 GLU 61 3HG GLU 61 19.120 -14.796 -16.811 488 H LEU 62 H LEU 62 14.607 -15.410 -16.498 489 HA LEU 62 HA LEU 62 15.662 -18.095 -15.951 490 HB2 LEU 62 2HB LEU 62 12.780 -17.333 -16.340 491 HB3 LEU 62 3HB LEU 62 13.424 -18.810 -15.626 492 HG LEU 62 HG LEU 62 13.704 -16.082 -14.374 493 HD11 LEU 62 1HD1 LEU 62 11.963 -17.096 -12.770 494 HD12 LEU 62 2HD1 LEU 62 11.574 -18.170 -14.113 495 HD13 LEU 62 3HD1 LEU 62 11.408 -16.425 -14.304 496 HD21 LEU 62 3HD2 LEU 62 15.360 -17.851 -13.762 497 HD22 LEU 62 1HD2 LEU 62 14.016 -18.823 -13.164 498 HD23 LEU 62 2HD2 LEU 62 14.380 -17.268 -12.416 499 H GLU 63 H GLU 63 14.064 -19.719 -17.344 500 HA GLU 63 HA GLU 63 14.324 -18.882 -20.154 501 HB2 GLU 63 2HB GLU 63 16.059 -20.609 -19.088 502 HB3 GLU 63 3HB GLU 63 14.770 -21.742 -19.468 503 HG2 GLU 63 2HG GLU 63 14.833 -20.657 -21.813 504 HG3 GLU 63 3HG GLU 63 16.419 -20.073 -21.315 505 H1 GLY -9 H GLY -9 -5.235 1.434 -7.776 506 HA2 GLY -9 2HA GLY -9 -4.786 3.853 -6.401 507 HA3 GLY -9 3HA GLY -9 -4.579 3.605 -8.129 508 H LYS -8 H LYS -8 -5.782 4.868 -9.364 509 HA LYS -8 HA LYS -8 -8.334 5.865 -8.278 510 HB2 LYS -8 2HB LYS -8 -7.966 7.764 -9.952 511 HB3 LYS -8 3HB LYS -8 -6.942 7.745 -8.523 512 HG2 LYS -8 2HG LYS -8 -5.925 6.376 -10.945 513 HG3 LYS -8 3HG LYS -8 -5.980 8.140 -10.961 514 HD2 LYS -8 2HD LYS -8 -4.855 7.850 -8.591 515 HD3 LYS -8 3HD LYS -8 -4.360 6.298 -9.271 516 HE2 LYS -8 2HE LYS -8 -3.933 8.878 -10.746 517 HE3 LYS -8 3HE LYS -8 -2.777 8.296 -9.550 518 HZ1 LYS -8 3HZ LYS -8 -3.581 6.339 -11.523 519 HZ2 LYS -8 1HZ LYS -8 -2.042 6.700 -10.918 520 HZ3 LYS -8 2HZ LYS -8 -2.713 7.651 -12.145 521 H PHE -7 H PHE -7 -6.779 4.187 -10.845 522 HA PHE -7 HA PHE -7 -8.578 4.544 -12.942 523 HB2 PHE -7 2HB PHE -7 -7.152 1.957 -12.316 524 HB3 PHE -7 3HB PHE -7 -7.670 2.541 -13.894 525 HD1 PHE -7 HD1 PHE -7 -6.708 5.128 -14.237 526 HD2 PHE -7 HD2 PHE -7 -4.881 1.949 -12.077 527 HE1 PHE -7 HE1 PHE -7 -4.504 6.168 -14.577 528 HE2 PHE -7 HE2 PHE -7 -2.674 2.983 -12.413 529 HZ PHE -7 HZ PHE -7 -2.483 5.096 -13.664 530 H ILE -6 H ILE -6 -10.041 2.767 -13.802 531 HA ILE -6 HA ILE -6 -11.284 0.941 -12.046 532 HB ILE -6 HB ILE -6 -12.241 2.795 -10.903 533 HG12 ILE -6 2HG1 ILE -6 -14.468 2.083 -12.779 534 HG13 ILE -6 3HG1 ILE -6 -13.734 0.829 -11.786 535 HG21 ILE -6 1HG2 ILE -6 -12.276 4.749 -11.976 536 HG22 ILE -6 2HG2 ILE -6 -12.299 3.970 -13.557 537 HG23 ILE -6 3HG2 ILE -6 -13.805 4.219 -12.675 538 HD11 ILE -6 3HD1 ILE -6 -14.186 2.594 -9.873 539 HD12 ILE -6 1HD1 ILE -6 -15.432 3.123 -11.003 540 HD13 ILE -6 2HD1 ILE -6 -15.423 1.460 -10.414 541 HA PRO -5 HA PRO -5 -12.061 0.158 -16.484 542 HB2 PRO -5 2HB PRO -5 -11.846 -2.539 -16.253 543 HB3 PRO -5 3HB PRO -5 -10.447 -1.477 -16.443 544 HG2 PRO -5 2HG PRO -5 -11.567 -2.705 -13.954 545 HG3 PRO -5 3HG PRO -5 -9.875 -2.548 -14.461 546 HD2 PRO -5 2HD PRO -5 -11.016 -0.880 -12.659 547 HD3 PRO -5 3HD PRO -5 -9.742 -0.351 -13.777 548 H SER -4 H SER -4 -14.028 -0.127 -17.342 549 HA SER -4 HA SER -4 -16.015 -1.704 -15.860 550 HB2 SER -4 2HB SER -4 -16.508 0.603 -15.318 551 HB3 SER -4 3HB SER -4 -16.436 1.060 -17.019 552 HG SER -4 HG SER -4 -18.398 -0.425 -15.655 553 H ARG -3 H ARG -3 -15.074 -3.151 -17.639 554 HA ARG -3 HA ARG -3 -17.019 -3.584 -19.591 555 HB2 ARG -3 2HB ARG -3 -15.578 -3.075 -21.628 556 HB3 ARG -3 3HB ARG -3 -16.294 -1.695 -20.806 557 HG2 ARG -3 2HG ARG -3 -14.305 -0.824 -20.305 558 HG3 ARG -3 3HG ARG -3 -13.649 -2.382 -19.799 559 HD2 ARG -3 2HD ARG -3 -12.556 -1.279 -21.808 560 HD3 ARG -3 3HD ARG -3 -13.048 -2.961 -21.998 561 HE ARG -3 HE ARG -3 -15.024 -1.060 -22.870 562 HH11 ARG -3 1HH1 ARG -3 -12.209 -2.897 -23.776 563 HH12 ARG -3 2HH1 ARG -3 -12.572 -2.864 -25.470 564 HH21 ARG -3 1HH2 ARG -3 -15.513 -1.010 -25.097 565 HH22 ARG -3 2HH2 ARG -3 -14.451 -1.790 -26.220 566 HA PRO -2 HA PRO -2 -14.979 -7.468 -19.711 567 HB2 PRO -2 2HB PRO -2 -15.712 -8.385 -22.158 568 HB3 PRO -2 3HB PRO -2 -16.834 -8.279 -20.796 569 HG2 PRO -2 2HG PRO -2 -16.468 -6.402 -23.100 570 HG3 PRO -2 3HG PRO -2 -17.970 -6.985 -22.359 571 HD2 PRO -2 2HD PRO -2 -16.931 -4.544 -21.818 572 HD3 PRO -2 3HD PRO -2 -17.843 -5.481 -20.617 573 H ALA -1 H ALA -1 -12.866 -7.811 -19.928 574 HA ALA -1 HA ALA -1 -11.105 -6.394 -21.502 575 HB1 ALA -1 1HB ALA -1 -10.422 -7.791 -19.613 576 HB2 ALA -1 2HB ALA -1 -10.777 -9.239 -20.555 577 HB3 ALA -1 3HB ALA -1 -9.481 -8.154 -21.059 578 HA PRO 0 HA PRO 0 -11.475 -7.871 -25.622 579 HB2 PRO 0 2HB PRO 0 -8.913 -7.620 -26.485 580 HB3 PRO 0 3HB PRO 0 -9.974 -6.233 -26.209 581 HG2 PRO 0 2HG PRO 0 -7.843 -7.369 -24.440 582 HG3 PRO 0 3HG PRO 0 -8.202 -5.673 -24.811 583 HD2 PRO 0 2HD PRO 0 -9.001 -6.862 -22.514 584 HD3 PRO 0 3HD PRO 0 -9.943 -5.581 -23.303 585 H LYS 1 H LYS 1 -10.706 -9.523 -27.134 586 HA LYS 1 HA LYS 1 -9.531 -11.832 -25.730 587 HB2 LYS 1 2HB LYS 1 -11.888 -12.179 -26.308 588 HB3 LYS 1 3HB LYS 1 -11.537 -11.816 -27.993 589 HG2 LYS 1 2HG LYS 1 -11.476 -14.068 -28.127 590 HG3 LYS 1 3HG LYS 1 -9.800 -13.804 -27.637 591 HD2 LYS 1 2HD LYS 1 -10.451 -15.434 -26.146 592 HD3 LYS 1 3HD LYS 1 -10.793 -13.970 -25.221 593 HE2 LYS 1 2HE LYS 1 -13.149 -14.112 -26.161 594 HE3 LYS 1 3HE LYS 1 -12.726 -15.736 -26.702 595 HZ1 LYS 1 3HZ LYS 1 -12.484 -16.478 -24.524 596 HZ2 LYS 1 1HZ LYS 1 -13.861 -15.497 -24.454 597 HZ3 LYS 1 2HZ LYS 1 -12.378 -14.914 -23.886 598 HA PRO 2 HA PRO 2 -6.236 -11.618 -28.663 599 HB2 PRO 2 2HB PRO 2 -5.205 -14.093 -28.243 600 HB3 PRO 2 3HB PRO 2 -4.990 -12.757 -27.106 601 HG2 PRO 2 2HG PRO 2 -6.939 -15.028 -27.015 602 HG3 PRO 2 3HG PRO 2 -5.972 -14.331 -25.702 603 HD2 PRO 2 2HD PRO 2 -8.589 -13.734 -26.058 604 HD3 PRO 2 3HD PRO 2 -7.424 -12.567 -25.399 605 HA PRO 3 HA PRO 3 -7.576 -13.578 -32.368 606 HB2 PRO 3 2HB PRO 3 -5.214 -13.926 -33.661 607 HB3 PRO 3 3HB PRO 3 -5.974 -12.343 -33.459 608 HG2 PRO 3 2HG PRO 3 -3.754 -13.592 -31.887 609 HG3 PRO 3 3HG PRO 3 -3.907 -11.927 -32.480 610 HD2 PRO 3 2HD PRO 3 -4.437 -12.616 -29.915 611 HD3 PRO 3 3HD PRO 3 -5.297 -11.306 -30.750 612 H SER 4 H SER 4 -6.618 -15.462 -33.926 613 HA SER 4 HA SER 4 -6.530 -17.824 -32.198 614 HB2 SER 4 2HB SER 4 -7.217 -17.475 -35.121 615 HB3 SER 4 3HB SER 4 -7.081 -19.050 -34.339 616 HG SER 4 HG SER 4 -8.923 -16.972 -33.786 617 H SER 5 H SER 5 -4.697 -18.889 -31.901 618 HA SER 5 HA SER 5 -2.722 -19.036 -34.039 619 HB2 SER 5 2HB SER 5 -2.088 -17.047 -32.696 620 HB3 SER 5 3HB SER 5 -1.989 -18.071 -31.264 621 HG SER 5 HG SER 5 -0.038 -18.508 -31.870 622 H ALA 6 H ALA 6 -1.857 -21.008 -34.168 623 HA ALA 6 HA ALA 6 -1.237 -22.642 -31.941 624 HB1 ALA 6 1HB ALA 6 -3.776 -23.279 -33.424 625 HB2 ALA 6 2HB ALA 6 -2.894 -24.469 -32.466 626 HB3 ALA 6 3HB ALA 6 -3.559 -23.031 -31.691 Start of MODEL 12 1 H1 MET -4 H MET -4 4.391 0.277 0.730 2 HA MET -4 HA MET -4 1.897 0.698 -0.699 3 HB2 MET -4 2HB MET -4 4.769 0.412 -1.549 4 HB3 MET -4 3HB MET -4 3.459 0.386 -2.721 5 HG2 MET -4 2HG MET -4 3.850 2.631 -0.768 6 HG3 MET -4 3HG MET -4 4.604 2.600 -2.360 7 HE1 MET -4 3HE MET -4 3.031 3.981 -4.497 8 HE2 MET -4 1HE MET -4 2.245 5.137 -3.420 9 HE3 MET -4 2HE MET -4 3.882 4.579 -3.071 10 H ALA -3 H ALA -3 1.493 -0.785 -2.631 11 HA ALA -3 HA ALA -3 2.104 -3.584 -1.975 12 HB1 ALA -3 1HB ALA -3 -0.057 -3.359 -1.086 13 HB2 ALA -3 2HB ALA -3 -0.610 -2.388 -2.452 14 HB3 ALA -3 3HB ALA -3 -0.289 -4.109 -2.666 15 H ILE -2 H ILE -2 3.402 -2.052 -3.913 16 HA ILE -2 HA ILE -2 2.252 -3.005 -6.446 17 HB ILE -2 HB ILE -2 4.452 -0.972 -6.067 18 HG12 ILE -2 2HG1 ILE -2 2.403 -0.078 -5.143 19 HG13 ILE -2 3HG1 ILE -2 2.702 0.690 -6.699 20 HG21 ILE -2 1HG2 ILE -2 4.617 -0.835 -8.300 21 HG22 ILE -2 2HG2 ILE -2 3.876 -2.435 -8.283 22 HG23 ILE -2 3HG2 ILE -2 2.878 -1.004 -8.539 23 HD11 ILE -2 3HD1 ILE -2 1.127 -1.559 -7.239 24 HD12 ILE -2 1HD1 ILE -2 0.425 -0.794 -5.813 25 HD13 ILE -2 2HD1 ILE -2 0.649 0.137 -7.294 26 H VAL -1 H VAL -1 3.138 -4.711 -7.393 27 HA VAL -1 HA VAL -1 5.514 -5.926 -6.349 28 HB VAL -1 HB VAL -1 4.016 -6.673 -8.861 29 HG11 VAL -1 1HG1 VAL -1 6.326 -7.610 -8.482 30 HG12 VAL -1 2HG1 VAL -1 5.673 -8.424 -7.058 31 HG13 VAL -1 3HG1 VAL -1 5.039 -8.802 -8.660 32 HG21 VAL -1 3HG2 VAL -1 3.411 -7.131 -5.991 33 HG22 VAL -1 1HG2 VAL -1 2.319 -6.911 -7.359 34 HG23 VAL -1 2HG2 VAL -1 3.124 -8.461 -7.114 35 H ASN 1 H ASN 1 4.680 -4.066 -9.217 36 HA ASN 1 HA ASN 1 5.957 -3.031 -10.790 37 HB2 ASN 1 2HB ASN 1 7.269 -2.538 -8.526 38 HB3 ASN 1 3HB ASN 1 8.487 -3.548 -9.300 39 HD21 ASN 1 1HD2 ASN 1 6.361 -0.799 -9.993 40 HD22 ASN 1 2HD2 ASN 1 7.508 0.065 -10.954 41 H GLN 2 H GLN 2 5.347 -5.563 -11.409 42 HA GLN 2 HA GLN 2 7.833 -6.833 -12.318 43 HB2 GLN 2 2HB GLN 2 6.228 -8.215 -11.018 44 HB3 GLN 2 3HB GLN 2 5.030 -7.962 -12.280 45 HG2 GLN 2 2HG GLN 2 5.995 -10.102 -12.616 46 HG3 GLN 2 3HG GLN 2 6.597 -9.039 -13.887 47 HE21 GLN 2 1HE2 GLN 2 8.326 -10.518 -14.178 48 HE22 GLN 2 2HE2 GLN 2 9.681 -10.513 -13.106 49 H ARG 3 H ARG 3 8.402 -6.783 -14.393 50 HA ARG 3 HA ARG 3 6.845 -5.315 -16.284 51 HB2 ARG 3 2HB ARG 3 8.667 -5.578 -17.771 52 HB3 ARG 3 3HB ARG 3 9.379 -5.421 -16.171 53 HG2 ARG 3 2HG ARG 3 9.100 -8.118 -16.374 54 HG3 ARG 3 3HG ARG 3 9.435 -7.663 -18.046 55 HD2 ARG 3 2HD ARG 3 11.536 -8.080 -17.054 56 HD3 ARG 3 3HD ARG 3 11.386 -6.326 -17.153 57 HE ARG 3 HE ARG 3 11.361 -6.224 -14.858 58 HH11 ARG 3 1HH1 ARG 3 10.941 -9.523 -15.885 59 HH12 ARG 3 2HH1 ARG 3 11.128 -10.180 -14.293 60 HH21 ARG 3 1HH2 ARG 3 11.608 -7.076 -12.757 61 HH22 ARG 3 2HH2 ARG 3 11.507 -8.787 -12.514 62 H ALA 4 H ALA 4 6.179 -6.127 -18.391 63 HA ALA 4 HA ALA 4 5.815 -8.980 -18.698 64 HB1 ALA 4 1HB ALA 4 3.230 -8.220 -19.136 65 HB2 ALA 4 2HB ALA 4 3.826 -9.001 -17.670 66 HB3 ALA 4 3HB ALA 4 3.668 -7.245 -17.732 67 H VAL 5 H VAL 5 5.077 -9.578 -20.803 68 HA VAL 5 HA VAL 5 5.548 -7.471 -22.797 69 HB VAL 5 HB VAL 5 7.021 -9.481 -22.863 70 HG11 VAL 5 1HG1 VAL 5 5.138 -11.228 -24.171 71 HG12 VAL 5 2HG1 VAL 5 6.215 -11.553 -22.810 72 HG13 VAL 5 3HG1 VAL 5 4.617 -10.860 -22.527 73 HG21 VAL 5 3HG2 VAL 5 6.961 -9.729 -25.246 74 HG22 VAL 5 1HG2 VAL 5 5.271 -9.227 -25.304 75 HG23 VAL 5 2HG2 VAL 5 6.522 -8.066 -24.858 76 H ALA 6 H ALA 6 4.210 -7.323 -24.652 77 HA ALA 6 HA ALA 6 1.439 -8.049 -24.107 78 HB1 ALA 6 1HB ALA 6 2.798 -5.946 -25.607 79 HB2 ALA 6 2HB ALA 6 1.404 -6.627 -26.448 80 HB3 ALA 6 3HB ALA 6 1.214 -5.946 -24.832 81 H LEU 7 H LEU 7 0.531 -9.782 -24.981 82 HA LEU 7 HA LEU 7 1.883 -11.223 -27.102 83 HB2 LEU 7 2HB LEU 7 -0.753 -11.973 -25.887 84 HB3 LEU 7 3HB LEU 7 0.460 -13.019 -26.621 85 HG LEU 7 HG LEU 7 0.669 -11.640 -23.946 86 HD11 LEU 7 1HD1 LEU 7 0.523 -14.581 -24.565 87 HD12 LEU 7 2HD1 LEU 7 -0.878 -13.606 -24.122 88 HD13 LEU 7 3HD1 LEU 7 0.456 -13.801 -22.984 89 HD21 LEU 7 3HD2 LEU 7 2.631 -13.637 -24.272 90 HD22 LEU 7 1HD2 LEU 7 2.866 -11.897 -24.103 91 HD23 LEU 7 2HD2 LEU 7 2.700 -12.612 -25.706 92 H TYR 8 H TYR 8 -1.024 -9.321 -26.640 93 HA TYR 8 HA TYR 8 -1.373 -9.216 -29.535 94 HB2 TYR 8 2HB TYR 8 -3.795 -9.675 -27.819 95 HB3 TYR 8 3HB TYR 8 -3.616 -9.885 -29.557 96 HD1 TYR 8 HD2 TYR 8 -2.230 -11.825 -30.402 97 HD2 TYR 8 HD1 TYR 8 -3.437 -11.471 -26.338 98 HE1 TYR 8 HE2 TYR 8 -1.800 -14.224 -30.071 99 HE2 TYR 8 HE1 TYR 8 -3.009 -13.869 -25.995 100 HH TYR 8 HH TYR 8 -1.561 -15.651 -27.067 101 H ASP 9 H ASP 9 -2.231 -7.309 -30.277 102 HA ASP 9 HA ASP 9 -2.032 -5.049 -28.579 103 HB2 ASP 9 2HB ASP 9 -2.460 -3.754 -30.481 104 HB3 ASP 9 3HB ASP 9 -1.703 -5.202 -31.139 105 H PHE 10 H PHE 10 -3.573 -3.783 -27.631 106 HA PHE 10 HA PHE 10 -6.386 -4.513 -27.962 107 HB2 PHE 10 2HB PHE 10 -5.988 -5.783 -26.051 108 HB3 PHE 10 3HB PHE 10 -4.814 -4.637 -25.413 109 HD1 PHE 10 HD2 PHE 10 -8.415 -5.233 -25.958 110 HD2 PHE 10 HD1 PHE 10 -5.468 -2.886 -23.978 111 HE1 PHE 10 HE2 PHE 10 -10.164 -4.238 -24.543 112 HE2 PHE 10 HE1 PHE 10 -7.212 -1.887 -22.559 113 HZ PHE 10 HZ PHE 10 -9.564 -2.562 -22.841 114 H GLU 11 H GLU 11 -7.846 -2.854 -27.541 115 HA GLU 11 HA GLU 11 -6.623 -0.203 -27.137 116 HB2 GLU 11 2HB GLU 11 -7.487 -0.400 -29.383 117 HB3 GLU 11 3HB GLU 11 -9.029 -0.992 -28.783 118 HG2 GLU 11 2HG GLU 11 -9.321 1.214 -27.632 119 HG3 GLU 11 3HG GLU 11 -7.892 1.774 -28.499 120 HA PRO 12 HA PRO 12 -9.079 0.138 -23.489 121 HB2 PRO 12 2HB PRO 12 -8.911 2.828 -23.167 122 HB3 PRO 12 3HB PRO 12 -7.569 1.733 -22.816 123 HG2 PRO 12 2HG PRO 12 -8.059 3.410 -25.246 124 HG3 PRO 12 3HG PRO 12 -6.548 3.144 -24.356 125 HD2 PRO 12 2HD PRO 12 -7.128 1.848 -26.662 126 HD3 PRO 12 3HD PRO 12 -6.164 1.109 -25.367 127 H GLU 13 H GLU 13 -11.132 0.787 -22.824 128 HA GLU 13 HA GLU 13 -12.835 1.873 -24.965 129 HB2 GLU 13 2HB GLU 13 -13.216 -0.249 -22.944 130 HB3 GLU 13 3HB GLU 13 -14.602 0.799 -23.213 131 HG2 GLU 13 2HG GLU 13 -14.074 0.291 -25.739 132 HG3 GLU 13 3HG GLU 13 -13.299 -1.135 -25.051 133 H ASN 14 H ASN 14 -11.623 2.419 -21.814 134 HA ASN 14 HA ASN 14 -13.466 4.696 -21.495 135 HB2 ASN 14 2HB ASN 14 -12.413 2.764 -19.444 136 HB3 ASN 14 3HB ASN 14 -12.940 4.379 -18.978 137 HD21 ASN 14 1HD2 ASN 14 -13.899 1.235 -19.953 138 HD22 ASN 14 2HD2 ASN 14 -15.605 1.470 -19.810 139 H ASP 15 H ASP 15 -12.461 6.308 -19.823 140 HA ASP 15 HA ASP 15 -9.939 7.139 -20.949 141 HB2 ASP 15 2HB ASP 15 -11.605 8.397 -18.758 142 HB3 ASP 15 3HB ASP 15 -10.231 9.149 -19.566 143 H ASN 16 H ASN 16 -10.699 4.980 -18.616 144 HA ASN 16 HA ASN 16 -8.320 5.612 -16.999 145 HB2 ASN 16 2HB ASN 16 -9.498 3.852 -15.423 146 HB3 ASN 16 3HB ASN 16 -10.005 5.539 -15.426 147 HD21 ASN 16 1HD2 ASN 16 -10.926 2.318 -15.941 148 HD22 ASN 16 2HD2 ASN 16 -12.541 2.614 -16.479 149 H GLU 17 H GLU 17 -8.774 4.033 -19.613 150 HA GLU 17 HA GLU 17 -7.535 1.510 -18.738 151 HB2 GLU 17 2HB GLU 17 -9.209 2.206 -21.138 152 HB3 GLU 17 3HB GLU 17 -8.187 0.776 -21.123 153 HG2 GLU 17 2HG GLU 17 -9.488 0.441 -18.795 154 HG3 GLU 17 3HG GLU 17 -10.712 1.316 -19.714 155 H LEU 18 H LEU 18 -5.817 0.637 -20.065 156 HA LEU 18 HA LEU 18 -4.229 2.761 -21.345 157 HB2 LEU 18 2HB LEU 18 -3.177 1.912 -19.349 158 HB3 LEU 18 3HB LEU 18 -3.352 0.254 -19.922 159 HG LEU 18 HG LEU 18 -1.725 0.656 -21.674 160 HD11 LEU 18 1HD1 LEU 18 -0.591 3.123 -20.931 161 HD12 LEU 18 2HD1 LEU 18 -2.322 3.394 -21.126 162 HD13 LEU 18 3HD1 LEU 18 -1.385 2.702 -22.449 163 HD21 LEU 18 3HD2 LEU 18 -1.186 0.393 -19.021 164 HD22 LEU 18 1HD2 LEU 18 -0.242 1.825 -19.432 165 HD23 LEU 18 2HD2 LEU 18 0.020 0.315 -20.306 166 H ARG 19 H ARG 19 -3.135 2.319 -23.271 167 HA ARG 19 HA ARG 19 -4.416 0.332 -24.933 168 HB2 ARG 19 2HB ARG 19 -2.121 2.051 -25.817 169 HB3 ARG 19 3HB ARG 19 -3.470 1.437 -26.762 170 HG2 ARG 19 2HG ARG 19 -4.979 2.967 -25.571 171 HG3 ARG 19 3HG ARG 19 -3.597 3.607 -24.679 172 HD2 ARG 19 2HD ARG 19 -3.747 3.609 -27.684 173 HD3 ARG 19 3HD ARG 19 -4.354 4.939 -26.697 174 HE ARG 19 HE ARG 19 -1.662 4.277 -26.041 175 HH11 ARG 19 1HH1 ARG 19 -3.640 5.961 -28.358 176 HH12 ARG 19 2HH1 ARG 19 -2.390 7.073 -28.812 177 HH21 ARG 19 1HH2 ARG 19 -0.009 5.734 -26.629 178 HH22 ARG 19 2HH2 ARG 19 -0.325 6.942 -27.828 179 H LEU 20 H LEU 20 -3.265 -1.239 -26.189 180 HA LEU 20 HA LEU 20 -0.586 -1.943 -25.255 181 HB2 LEU 20 2HB LEU 20 -2.855 -3.222 -24.295 182 HB3 LEU 20 3HB LEU 20 -2.246 -4.301 -25.548 183 HG LEU 20 HG LEU 20 -0.144 -4.529 -24.413 184 HD11 LEU 20 1HD1 LEU 20 0.498 -2.594 -23.425 185 HD12 LEU 20 2HD1 LEU 20 -0.171 -3.394 -22.004 186 HD13 LEU 20 3HD1 LEU 20 -1.132 -2.200 -22.877 187 HD21 LEU 20 3HD2 LEU 20 -1.398 -4.997 -21.974 188 HD22 LEU 20 1HD2 LEU 20 -1.194 -6.142 -23.301 189 HD23 LEU 20 2HD2 LEU 20 -2.672 -5.186 -23.180 190 H ALA 21 H ALA 21 0.624 -3.171 -26.714 191 HA ALA 21 HA ALA 21 -0.621 -3.781 -29.299 192 HB1 ALA 21 1HB ALA 21 2.048 -2.416 -29.188 193 HB2 ALA 21 2HB ALA 21 0.966 -2.623 -30.566 194 HB3 ALA 21 3HB ALA 21 0.542 -1.502 -29.272 195 H GLU 22 H GLU 22 0.167 -5.575 -30.306 196 HA GLU 22 HA GLU 22 1.412 -7.568 -28.863 197 HB2 GLU 22 2HB GLU 22 0.179 -8.032 -30.902 198 HB3 GLU 22 3HB GLU 22 1.371 -7.161 -31.857 199 HG2 GLU 22 2HG GLU 22 2.808 -9.098 -30.446 200 HG3 GLU 22 3HG GLU 22 1.351 -9.905 -31.023 201 H GLY 23 H GLY 23 3.401 -7.760 -28.089 202 HA2 GLY 23 2HA GLY 23 5.752 -7.949 -28.362 203 HA3 GLY 23 3HA GLY 23 5.659 -6.826 -29.710 204 H ASP 24 H ASP 24 3.759 -5.401 -27.550 205 HA ASP 24 HA ASP 24 5.704 -3.444 -26.838 206 HB2 ASP 24 2HB ASP 24 3.194 -3.094 -27.233 207 HB3 ASP 24 3HB ASP 24 2.972 -3.702 -25.595 208 H ILE 25 H ILE 25 6.155 -2.743 -24.621 209 HA ILE 25 HA ILE 25 6.192 -5.003 -22.728 210 HB ILE 25 HB ILE 25 8.343 -2.908 -23.055 211 HG12 ILE 25 2HG1 ILE 25 7.929 -5.564 -24.257 212 HG13 ILE 25 3HG1 ILE 25 8.930 -4.223 -24.803 213 HG21 ILE 25 1HG2 ILE 25 7.950 -3.811 -20.744 214 HG22 ILE 25 2HG2 ILE 25 8.396 -5.399 -21.367 215 HG23 ILE 25 3HG2 ILE 25 9.568 -4.082 -21.391 216 HD11 ILE 25 3HD1 ILE 25 10.386 -6.013 -24.334 217 HD12 ILE 25 1HD1 ILE 25 10.567 -4.867 -23.006 218 HD13 ILE 25 2HD1 ILE 25 9.612 -6.333 -22.782 219 H VAL 26 H VAL 26 4.908 -4.573 -21.067 220 HA VAL 26 HA VAL 26 4.780 -1.802 -20.065 221 HB VAL 26 HB VAL 26 2.532 -2.460 -19.126 222 HG11 VAL 26 1HG1 VAL 26 1.354 -2.072 -21.202 223 HG12 VAL 26 2HG1 VAL 26 2.816 -1.085 -21.157 224 HG13 VAL 26 3HG1 VAL 26 2.773 -2.555 -22.131 225 HG21 VAL 26 3HG2 VAL 26 1.407 -4.365 -20.291 226 HG22 VAL 26 1HG2 VAL 26 2.986 -4.840 -20.917 227 HG23 VAL 26 2HG2 VAL 26 2.688 -4.845 -19.179 228 H PHE 27 H PHE 27 4.167 -1.679 -17.711 229 HA PHE 27 HA PHE 27 5.529 -3.818 -16.209 230 HB2 PHE 27 2HB PHE 27 5.447 -0.851 -15.627 231 HB3 PHE 27 3HB PHE 27 6.160 -2.061 -14.566 232 HD1 PHE 27 HD1 PHE 27 7.902 -3.655 -15.837 233 HD2 PHE 27 HD2 PHE 27 6.875 0.314 -16.981 234 HE1 PHE 27 HE1 PHE 27 10.039 -3.453 -17.040 235 HE2 PHE 27 HE2 PHE 27 9.009 0.522 -18.187 236 HZ PHE 27 HZ PHE 27 10.594 -1.362 -18.218 237 H ILE 28 H ILE 28 3.976 -5.009 -15.294 238 HA ILE 28 HA ILE 28 1.437 -3.972 -14.521 239 HB ILE 28 HB ILE 28 2.635 -6.580 -13.601 240 HG12 ILE 28 2HG1 ILE 28 2.857 -6.374 -16.051 241 HG13 ILE 28 3HG1 ILE 28 1.685 -7.608 -15.603 242 HG21 ILE 28 1HG2 ILE 28 -0.067 -5.370 -13.635 243 HG22 ILE 28 2HG2 ILE 28 0.049 -7.095 -13.981 244 HG23 ILE 28 3HG2 ILE 28 0.676 -6.456 -12.461 245 HD11 ILE 28 3HD1 ILE 28 1.348 -5.293 -17.245 246 HD12 ILE 28 1HD1 ILE 28 0.236 -6.630 -16.952 247 HD13 ILE 28 2HD1 ILE 28 0.235 -5.230 -15.879 248 H SER 29 H SER 29 1.395 -2.490 -12.933 249 HA SER 29 HA SER 29 3.162 -2.411 -10.735 250 HB2 SER 29 2HB SER 29 0.535 -1.078 -11.340 251 HB3 SER 29 3HB SER 29 1.313 -0.866 -9.772 252 HG SER 29 HG SER 29 1.795 0.640 -11.673 253 H TYR 30 H TYR 30 -0.071 -3.762 -11.150 254 HA TYR 30 HA TYR 30 0.277 -5.712 -9.154 255 HB2 TYR 30 2HB TYR 30 -1.272 -4.904 -7.443 256 HB3 TYR 30 3HB TYR 30 0.081 -3.793 -7.627 257 HD1 TYR 30 HD1 TYR 30 -0.248 -1.599 -8.686 258 HD2 TYR 30 HD2 TYR 30 -3.514 -4.238 -8.000 259 HE1 TYR 30 HE1 TYR 30 -1.817 0.262 -9.037 260 HE2 TYR 30 HE2 TYR 30 -5.092 -2.385 -8.350 261 HH TYR 30 HH TYR 30 -4.892 0.276 -8.089 262 H LYS 31 H LYS 31 -1.693 -6.984 -8.780 263 HA LYS 31 HA LYS 31 -3.313 -7.049 -11.190 264 HB2 LYS 31 2HB LYS 31 -2.516 -9.176 -10.560 265 HB3 LYS 31 3HB LYS 31 -2.933 -8.926 -8.870 266 HG2 LYS 31 2HG LYS 31 -5.239 -9.210 -9.297 267 HG3 LYS 31 3HG LYS 31 -5.000 -9.109 -11.043 268 HD2 LYS 31 2HD LYS 31 -3.832 -11.213 -11.056 269 HD3 LYS 31 3HD LYS 31 -3.863 -11.288 -9.293 270 HE2 LYS 31 2HE LYS 31 -5.899 -12.189 -9.294 271 HE3 LYS 31 3HE LYS 31 -6.519 -10.938 -10.370 272 HZ1 LYS 31 3HZ LYS 31 -5.279 -13.523 -11.084 273 HZ2 LYS 31 1HZ LYS 31 -5.371 -12.255 -12.200 274 HZ3 LYS 31 2HZ LYS 31 -6.787 -12.911 -11.547 275 H HIS 32 H HIS 32 -5.559 -6.930 -11.244 276 HA HIS 32 HA HIS 32 -6.909 -6.079 -8.782 277 HB2 HIS 32 2HB HIS 32 -6.190 -4.132 -10.322 278 HB3 HIS 32 3HB HIS 32 -7.467 -4.698 -11.395 279 HD1 HIS 32 HD1 HIS 32 -7.164 -3.750 -7.716 280 HD2 HIS 32 HD2 HIS 32 -9.818 -3.475 -10.900 281 HE1 HIS 32 HE1 HIS 32 -9.132 -2.454 -6.839 282 H GLY 33 H GLY 33 -9.217 -6.358 -8.808 283 HA2 GLY 33 2HA GLY 33 -10.050 -8.789 -9.930 284 HA3 GLY 33 3HA GLY 33 -11.112 -7.583 -9.219 285 H GLN 34 H GLN 34 -12.393 -8.690 -11.080 286 HA GLN 34 HA GLN 34 -13.528 -8.363 -13.025 287 HB2 GLN 34 2HB GLN 34 -11.967 -5.805 -13.362 288 HB3 GLN 34 3HB GLN 34 -13.540 -6.203 -14.040 289 HG2 GLN 34 2HG GLN 34 -12.925 -5.774 -11.125 290 HG3 GLN 34 3HG GLN 34 -13.747 -4.641 -12.197 291 HE21 GLN 34 1HE2 GLN 34 -15.673 -5.704 -13.371 292 HE22 GLN 34 2HE2 GLN 34 -16.739 -6.616 -12.362 293 H GLY 35 H GLY 35 -10.526 -9.265 -12.810 294 HA2 GLY 35 2HA GLY 35 -9.095 -10.309 -14.278 295 HA3 GLY 35 3HA GLY 35 -10.313 -10.084 -15.525 296 H TRP 36 H TRP 36 -9.029 -7.385 -13.735 297 HA TRP 36 HA TRP 36 -7.498 -6.584 -16.123 298 HB2 TRP 36 2HB TRP 36 -9.235 -4.900 -14.316 299 HB3 TRP 36 3HB TRP 36 -8.069 -4.209 -15.441 300 HD1 TRP 36 HD1 TRP 36 -11.531 -5.693 -15.280 301 HE1 TRP 36 HE1 TRP 36 -12.618 -5.587 -17.611 302 HE3 TRP 36 HE3 TRP 36 -7.435 -4.342 -18.025 303 HZ2 TRP 36 HZ2 TRP 36 -11.842 -5.008 -20.262 304 HZ3 TRP 36 HZ3 TRP 36 -7.692 -4.033 -20.453 305 HH2 TRP 36 HH2 TRP 36 -9.850 -4.360 -21.546 306 H LEU 37 H LEU 37 -5.498 -5.688 -15.816 307 HA LEU 37 HA LEU 37 -4.552 -5.494 -13.032 308 HB2 LEU 37 2HB LEU 37 -2.641 -6.196 -15.190 309 HB3 LEU 37 3HB LEU 37 -2.638 -6.649 -13.487 310 HG LEU 37 HG LEU 37 -4.327 -7.860 -15.673 311 HD11 LEU 37 1HD1 LEU 37 -2.431 -9.018 -15.980 312 HD12 LEU 37 2HD1 LEU 37 -2.920 -9.869 -14.515 313 HD13 LEU 37 3HD1 LEU 37 -1.764 -8.540 -14.419 314 HD21 LEU 37 3HD2 LEU 37 -5.734 -8.547 -14.103 315 HD22 LEU 37 1HD2 LEU 37 -4.797 -7.710 -12.865 316 HD23 LEU 37 2HD2 LEU 37 -4.405 -9.376 -13.290 317 H VAL 38 H VAL 38 -3.594 -3.639 -12.483 318 HA VAL 38 HA VAL 38 -3.467 -1.489 -14.372 319 HB VAL 38 HB VAL 38 -2.370 -1.514 -11.561 320 HG11 VAL 38 1HG1 VAL 38 -2.289 0.414 -13.592 321 HG12 VAL 38 2HG1 VAL 38 -3.522 0.961 -12.454 322 HG13 VAL 38 3HG1 VAL 38 -1.884 0.629 -11.889 323 HG21 VAL 38 3HG2 VAL 38 -4.767 -0.237 -11.393 324 HG22 VAL 38 1HG2 VAL 38 -5.131 -1.517 -12.550 325 HG23 VAL 38 2HG2 VAL 38 -4.496 -1.924 -10.956 326 H ALA 39 H ALA 39 -1.859 -1.191 -15.755 327 HA ALA 39 HA ALA 39 0.895 -1.636 -14.852 328 HB1 ALA 39 1HB ALA 39 1.391 -3.203 -16.364 329 HB2 ALA 39 2HB ALA 39 -0.353 -3.430 -16.506 330 HB3 ALA 39 3HB ALA 39 0.495 -2.382 -17.643 331 H GLU 40 H GLU 40 2.501 -0.551 -16.222 332 HA GLU 40 HA GLU 40 1.368 1.798 -17.595 333 HB2 GLU 40 2HB GLU 40 3.063 3.185 -16.700 334 HB3 GLU 40 3HB GLU 40 2.457 2.240 -15.347 335 HG2 GLU 40 2HG GLU 40 4.554 0.738 -16.396 336 HG3 GLU 40 3HG GLU 40 5.118 2.408 -16.425 337 H ASN 41 H ASN 41 2.661 2.703 -19.306 338 HA ASN 41 HA ASN 41 3.724 0.738 -21.039 339 HB2 ASN 41 2HB ASN 41 3.869 2.417 -22.620 340 HB3 ASN 41 3HB ASN 41 2.659 3.093 -21.534 341 HD21 ASN 41 1HD2 ASN 41 4.119 4.040 -19.479 342 HD22 ASN 41 2HD2 ASN 41 5.185 5.288 -20.018 343 H GLU 42 H GLU 42 5.949 1.572 -22.208 344 HA GLU 42 HA GLU 42 7.986 0.854 -20.359 345 HB2 GLU 42 2HB GLU 42 8.066 0.274 -22.761 346 HB3 GLU 42 3HB GLU 42 8.258 1.976 -23.153 347 HG2 GLU 42 2HG GLU 42 10.315 1.787 -21.536 348 HG3 GLU 42 3HG GLU 42 10.198 0.077 -21.945 349 H SER 43 H SER 43 6.968 3.891 -21.831 350 HA SER 43 HA SER 43 9.100 5.510 -21.068 351 HB2 SER 43 2HB SER 43 6.983 6.020 -22.528 352 HB3 SER 43 3HB SER 43 6.292 6.565 -21.000 353 HG SER 43 HG SER 43 8.450 7.776 -20.906 354 H GLY 44 H GLY 44 6.604 4.086 -19.168 355 HA2 GLY 44 2HA GLY 44 6.273 4.050 -16.894 356 HA3 GLY 44 3HA GLY 44 7.835 4.840 -16.729 357 H SER 45 H SER 45 5.746 6.552 -18.754 358 HA SER 45 HA SER 45 5.224 8.476 -16.597 359 HB2 SER 45 2HB SER 45 4.663 9.934 -18.742 360 HB3 SER 45 3HB SER 45 6.327 9.698 -18.209 361 HG SER 45 HG SER 45 5.416 9.168 -20.555 362 H LYS 46 H LYS 46 3.703 6.322 -18.799 363 HA LYS 46 HA LYS 46 1.066 7.420 -18.069 364 HB2 LYS 46 2HB LYS 46 0.787 7.574 -20.297 365 HB3 LYS 46 3HB LYS 46 2.166 6.535 -20.631 366 HG2 LYS 46 2HG LYS 46 0.849 4.571 -20.390 367 HG3 LYS 46 3HG LYS 46 -0.516 5.493 -19.755 368 HD2 LYS 46 2HD LYS 46 -1.217 5.299 -21.908 369 HD3 LYS 46 3HD LYS 46 -0.225 6.747 -22.092 370 HE2 LYS 46 2HE LYS 46 1.686 5.054 -22.576 371 HE3 LYS 46 3HE LYS 46 0.369 3.925 -22.891 372 HZ1 LYS 46 3HZ LYS 46 -0.479 5.876 -24.377 373 HZ2 LYS 46 1HZ LYS 46 0.696 4.807 -24.957 374 HZ3 LYS 46 2HZ LYS 46 1.151 6.329 -24.378 375 H THR 47 H THR 47 -0.121 6.180 -16.787 376 HA THR 47 HA THR 47 0.289 3.265 -16.853 377 HB THR 47 HB THR 47 -0.262 4.797 -14.312 378 HG1 THR 47 HG1 THR 47 1.783 5.358 -14.522 379 HG21 THR 47 3HG2 THR 47 0.407 1.947 -14.981 380 HG22 THR 47 1HG2 THR 47 -0.930 2.573 -14.016 381 HG23 THR 47 2HG2 THR 47 0.713 2.608 -13.374 382 H GLY 48 H GLY 48 -1.524 2.062 -16.924 383 HA2 GLY 48 2HA GLY 48 -4.067 3.185 -16.055 384 HA3 GLY 48 3HA GLY 48 -3.928 2.834 -17.772 385 H LEU 49 H LEU 49 -5.570 1.277 -17.676 386 HA LEU 49 HA LEU 49 -4.945 -1.142 -16.126 387 HB2 LEU 49 2HB LEU 49 -7.515 -0.070 -17.255 388 HB3 LEU 49 3HB LEU 49 -7.356 -1.732 -16.691 389 HG LEU 49 HG LEU 49 -6.680 0.535 -14.860 390 HD11 LEU 49 1HD1 LEU 49 -8.951 0.693 -14.117 391 HD12 LEU 49 2HD1 LEU 49 -9.459 -0.562 -15.246 392 HD13 LEU 49 3HD1 LEU 49 -8.912 1.001 -15.853 393 HD21 LEU 49 3HD2 LEU 49 -6.994 -1.014 -13.172 394 HD22 LEU 49 1HD2 LEU 49 -6.290 -1.999 -14.455 395 HD23 LEU 49 2HD2 LEU 49 -8.029 -2.042 -14.164 396 H VAL 50 H VAL 50 -4.326 -2.932 -17.147 397 HA VAL 50 HA VAL 50 -4.851 -3.153 -20.038 398 HB VAL 50 HB VAL 50 -2.692 -4.136 -20.404 399 HG11 VAL 50 1HG1 VAL 50 -1.271 -2.250 -20.045 400 HG12 VAL 50 2HG1 VAL 50 -2.900 -1.644 -20.350 401 HG13 VAL 50 3HG1 VAL 50 -2.267 -1.686 -18.704 402 HG21 VAL 50 3HG2 VAL 50 -2.228 -3.821 -17.439 403 HG22 VAL 50 1HG2 VAL 50 -2.474 -5.343 -18.297 404 HG23 VAL 50 2HG2 VAL 50 -1.035 -4.373 -18.615 405 HA PRO 51 HA PRO 51 -6.497 -7.147 -19.250 406 HB2 PRO 51 2HB PRO 51 -5.844 -8.438 -21.547 407 HB3 PRO 51 3HB PRO 51 -7.102 -7.199 -21.465 408 HG2 PRO 51 2HG PRO 51 -4.263 -6.958 -22.382 409 HG3 PRO 51 3HG PRO 51 -5.734 -6.280 -23.105 410 HD2 PRO 51 2HD PRO 51 -4.055 -4.812 -21.570 411 HD3 PRO 51 3HD PRO 51 -5.805 -4.522 -21.617 412 H GLU 52 H GLU 52 -5.950 -9.255 -18.648 413 HA GLU 52 HA GLU 52 -3.098 -9.659 -18.147 414 HB2 GLU 52 2HB GLU 52 -4.672 -9.834 -16.250 415 HB3 GLU 52 3HB GLU 52 -5.486 -11.163 -17.063 416 HG2 GLU 52 2HG GLU 52 -2.563 -11.305 -16.450 417 HG3 GLU 52 3HG GLU 52 -3.769 -11.687 -15.222 418 H GLU 53 H GLU 53 -5.788 -11.018 -19.903 419 HA GLU 53 HA GLU 53 -4.344 -13.426 -20.613 420 HB2 GLU 53 2HB GLU 53 -7.060 -12.629 -20.573 421 HB3 GLU 53 3HB GLU 53 -6.662 -12.998 -22.245 422 HG2 GLU 53 2HG GLU 53 -7.225 -15.079 -21.622 423 HG3 GLU 53 3HG GLU 53 -5.557 -15.124 -21.052 424 H PHE 54 H PHE 54 -3.832 -10.420 -21.488 425 HA PHE 54 HA PHE 54 -3.332 -11.088 -24.314 426 HB2 PHE 54 2HB PHE 54 -4.577 -8.743 -23.084 427 HB3 PHE 54 3HB PHE 54 -3.280 -8.331 -24.201 428 HD1 PHE 54 HD2 PHE 54 -5.554 -11.234 -24.462 429 HD2 PHE 54 HD1 PHE 54 -4.515 -7.388 -25.959 430 HE1 PHE 54 HE2 PHE 54 -7.087 -11.562 -26.358 431 HE2 PHE 54 HE1 PHE 54 -6.048 -7.709 -27.857 432 HZ PHE 54 HZ PHE 54 -7.335 -9.798 -28.059 433 H VAL 55 H VAL 55 -1.849 -10.803 -21.454 434 HA VAL 55 HA VAL 55 0.655 -9.888 -22.695 435 HB VAL 55 HB VAL 55 1.301 -8.902 -20.479 436 HG11 VAL 55 1HG1 VAL 55 -1.051 -7.320 -21.218 437 HG12 VAL 55 2HG1 VAL 55 0.659 -6.886 -21.226 438 HG13 VAL 55 3HG1 VAL 55 -0.030 -7.785 -22.578 439 HG21 VAL 55 3HG2 VAL 55 -0.260 -10.006 -19.028 440 HG22 VAL 55 1HG2 VAL 55 -0.573 -8.271 -18.967 441 HG23 VAL 55 2HG2 VAL 55 -1.629 -9.325 -19.907 442 H SER 56 H SER 56 2.579 -10.515 -21.262 443 HA SER 56 HA SER 56 2.137 -13.011 -19.806 444 HB2 SER 56 2HB SER 56 2.595 -13.934 -21.925 445 HB3 SER 56 3HB SER 56 3.817 -12.717 -22.289 446 HG SER 56 HG SER 56 4.056 -14.673 -20.246 447 H TYR 57 H TYR 57 3.182 -12.895 -17.943 448 HA TYR 57 HA TYR 57 4.900 -10.834 -17.206 449 HB2 TYR 57 2HB TYR 57 4.154 -13.469 -16.047 450 HB3 TYR 57 3HB TYR 57 5.591 -12.685 -15.401 451 HD1 TYR 57 HD2 TYR 57 2.430 -11.124 -16.594 452 HD2 TYR 57 HD1 TYR 57 4.937 -11.992 -13.268 453 HE1 TYR 57 HE2 TYR 57 1.012 -9.712 -15.164 454 HE2 TYR 57 HE1 TYR 57 3.525 -10.584 -11.828 455 HH TYR 57 HH TYR 57 0.468 -9.502 -12.746 456 H ILE 58 H ILE 58 7.054 -10.522 -17.280 457 HA ILE 58 HA ILE 58 8.644 -12.547 -18.693 458 HB ILE 58 HB ILE 58 9.340 -9.646 -18.232 459 HG12 ILE 58 2HG1 ILE 58 8.243 -10.929 -20.741 460 HG13 ILE 58 3HG1 ILE 58 7.283 -9.970 -19.620 461 HG21 ILE 58 1HG2 ILE 58 10.896 -10.125 -20.174 462 HG22 ILE 58 2HG2 ILE 58 11.316 -10.868 -18.631 463 HG23 ILE 58 3HG2 ILE 58 10.556 -11.833 -19.896 464 HD11 ILE 58 3HD1 ILE 58 9.273 -9.125 -21.622 465 HD12 ILE 58 1HD1 ILE 58 7.787 -8.340 -21.089 466 HD13 ILE 58 2HD1 ILE 58 9.246 -8.228 -20.105 467 H GLN 59 H GLN 59 10.695 -13.154 -17.944 468 HA GLN 59 HA GLN 59 11.332 -12.386 -15.178 469 HB2 GLN 59 2HB GLN 59 10.766 -15.063 -16.267 470 HB3 GLN 59 3HB GLN 59 12.221 -14.962 -15.283 471 HG2 GLN 59 2HG GLN 59 11.075 -14.634 -13.375 472 HG3 GLN 59 3HG GLN 59 9.825 -13.672 -14.162 473 HE21 GLN 59 1HE2 GLN 59 8.745 -15.242 -15.983 474 HE22 GLN 59 2HE2 GLN 59 8.080 -16.676 -15.285 475 HA PRO 60 HA PRO 60 15.484 -11.834 -16.476 476 HB2 PRO 60 2HB PRO 60 16.899 -12.781 -14.361 477 HB3 PRO 60 3HB PRO 60 15.991 -11.265 -14.308 478 HG2 PRO 60 2HG PRO 60 15.222 -13.970 -13.281 479 HG3 PRO 60 3HG PRO 60 15.018 -12.383 -12.516 480 HD2 PRO 60 2HD PRO 60 12.994 -13.662 -13.782 481 HD3 PRO 60 3HD PRO 60 13.133 -11.892 -13.749 482 H GLU 61 H GLU 61 15.084 -15.021 -14.917 483 HA GLU 61 HA GLU 61 16.152 -16.351 -17.242 484 HB2 GLU 61 2HB GLU 61 18.110 -15.552 -15.711 485 HB3 GLU 61 3HB GLU 61 17.614 -16.888 -14.681 486 HG2 GLU 61 2HG GLU 61 17.860 -18.386 -16.679 487 HG3 GLU 61 3HG GLU 61 18.597 -17.021 -17.516 488 H LEU 62 H LEU 62 13.660 -16.394 -15.867 489 HA LEU 62 HA LEU 62 13.646 -19.172 -14.883 490 HB2 LEU 62 2HB LEU 62 11.573 -17.157 -14.107 491 HB3 LEU 62 3HB LEU 62 11.997 -18.673 -13.315 492 HG LEU 62 HG LEU 62 13.654 -16.151 -13.313 493 HD11 LEU 62 1HD1 LEU 62 11.738 -17.368 -11.372 494 HD12 LEU 62 2HD1 LEU 62 11.926 -15.684 -11.859 495 HD13 LEU 62 3HD1 LEU 62 13.111 -16.429 -10.787 496 HD21 LEU 62 3HD2 LEU 62 15.368 -17.416 -12.701 497 HD22 LEU 62 1HD2 LEU 62 14.376 -18.867 -12.855 498 HD23 LEU 62 2HD2 LEU 62 14.437 -18.000 -11.320 499 H GLU 63 H GLU 63 11.416 -20.191 -15.110 500 HA GLU 63 HA GLU 63 10.413 -19.583 -17.803 501 HB2 GLU 63 2HB GLU 63 10.268 -22.108 -16.150 502 HB3 GLU 63 3HB GLU 63 9.470 -21.904 -17.703 503 HG2 GLU 63 2HG GLU 63 12.435 -21.783 -17.203 504 HG3 GLU 63 3HG GLU 63 11.554 -23.117 -17.946 505 H1 GLY -9 H GLY -9 -9.502 2.850 -6.382 506 HA2 GLY -9 2HA GLY -9 -10.438 5.115 -6.334 507 HA3 GLY -9 3HA GLY -9 -8.687 5.202 -6.199 508 H LYS -8 H LYS -8 -7.751 4.859 -8.664 509 HA LYS -8 HA LYS -8 -8.832 7.180 -10.087 510 HB2 LYS -8 2HB LYS -8 -6.214 5.748 -10.562 511 HB3 LYS -8 3HB LYS -8 -6.697 7.312 -11.206 512 HG2 LYS -8 2HG LYS -8 -6.293 6.714 -8.283 513 HG3 LYS -8 3HG LYS -8 -5.097 7.472 -9.336 514 HD2 LYS -8 2HD LYS -8 -6.737 9.282 -9.801 515 HD3 LYS -8 3HD LYS -8 -7.824 8.548 -8.619 516 HE2 LYS -8 2HE LYS -8 -6.756 10.164 -7.359 517 HE3 LYS -8 3HE LYS -8 -5.787 8.730 -7.019 518 HZ1 LYS -8 3HZ LYS -8 -4.006 9.625 -7.988 519 HZ2 LYS -8 1HZ LYS -8 -4.819 11.105 -7.876 520 HZ3 LYS -8 2HZ LYS -8 -4.882 10.211 -9.311 521 H PHE -7 H PHE -7 -7.433 4.006 -10.934 522 HA PHE -7 HA PHE -7 -9.110 3.995 -13.344 523 HB2 PHE -7 2HB PHE -7 -6.799 2.153 -12.725 524 HB3 PHE -7 3HB PHE -7 -7.579 2.409 -14.282 525 HD1 PHE -7 HD1 PHE -7 -7.708 5.254 -14.582 526 HD2 PHE -7 HD2 PHE -7 -4.625 2.878 -12.859 527 HE1 PHE -7 HE1 PHE -7 -6.063 7.004 -15.119 528 HE2 PHE -7 HE2 PHE -7 -2.976 4.625 -13.392 529 HZ PHE -7 HZ PHE -7 -3.694 6.692 -14.522 530 H ILE -6 H ILE -6 -10.946 2.903 -13.201 531 HA ILE -6 HA ILE -6 -10.958 0.334 -11.782 532 HB ILE -6 HB ILE -6 -13.125 2.422 -11.517 533 HG12 ILE -6 2HG1 ILE -6 -12.331 1.978 -8.998 534 HG13 ILE -6 3HG1 ILE -6 -10.811 1.639 -9.818 535 HG21 ILE -6 1HG2 ILE -6 -14.465 0.733 -10.990 536 HG22 ILE -6 2HG2 ILE -6 -13.144 -0.420 -11.168 537 HG23 ILE -6 3HG2 ILE -6 -13.419 0.373 -9.617 538 HD11 ILE -6 3HD1 ILE -6 -10.408 3.810 -9.821 539 HD12 ILE -6 1HD1 ILE -6 -11.760 4.020 -10.933 540 HD13 ILE -6 2HD1 ILE -6 -12.019 4.156 -9.193 541 HA PRO -5 HA PRO -5 -12.699 -0.688 -15.784 542 HB2 PRO -5 2HB PRO -5 -12.692 -3.371 -15.370 543 HB3 PRO -5 3HB PRO -5 -11.241 -2.463 -15.811 544 HG2 PRO -5 2HG PRO -5 -12.136 -3.409 -13.116 545 HG3 PRO -5 3HG PRO -5 -10.516 -3.450 -13.835 546 HD2 PRO -5 2HD PRO -5 -11.268 -1.563 -12.044 547 HD3 PRO -5 3HD PRO -5 -10.106 -1.235 -13.346 548 H SER -4 H SER -4 -14.643 -1.722 -16.537 549 HA SER -4 HA SER -4 -16.601 -2.517 -14.533 550 HB2 SER -4 2HB SER -4 -16.948 -0.108 -14.680 551 HB3 SER -4 3HB SER -4 -17.057 -0.206 -16.437 552 HG SER -4 HG SER -4 -18.832 -1.405 -14.572 553 H ARG -3 H ARG -3 -15.376 -4.166 -16.321 554 HA ARG -3 HA ARG -3 -17.516 -5.411 -17.615 555 HB2 ARG -3 2HB ARG -3 -16.794 -5.057 -19.996 556 HB3 ARG -3 3HB ARG -3 -17.518 -3.651 -19.227 557 HG2 ARG -3 2HG ARG -3 -15.047 -3.016 -18.697 558 HG3 ARG -3 3HG ARG -3 -14.686 -4.128 -20.020 559 HD2 ARG -3 2HD ARG -3 -14.905 -1.764 -20.740 560 HD3 ARG -3 3HD ARG -3 -16.041 -2.852 -21.536 561 HE ARG -3 HE ARG -3 -17.738 -1.637 -20.627 562 HH11 ARG -3 1HH1 ARG -3 -14.867 -1.113 -18.729 563 HH12 ARG -3 2HH1 ARG -3 -15.604 0.073 -17.703 564 HH21 ARG -3 1HH2 ARG -3 -18.720 -0.077 -19.284 565 HH22 ARG -3 2HH2 ARG -3 -17.796 0.661 -18.019 566 HA PRO -2 HA PRO -2 -14.624 -8.713 -17.627 567 HB2 PRO -2 2HB PRO -2 -15.599 -10.271 -19.625 568 HB3 PRO -2 3HB PRO -2 -16.397 -10.110 -18.056 569 HG2 PRO -2 2HG PRO -2 -17.016 -8.742 -20.646 570 HG3 PRO -2 3HG PRO -2 -18.129 -9.452 -19.462 571 HD2 PRO -2 2HD PRO -2 -17.656 -6.790 -19.603 572 HD3 PRO -2 3HD PRO -2 -18.025 -7.615 -18.075 573 H ALA -1 H ALA -1 -12.608 -8.853 -18.372 574 HA ALA -1 HA ALA -1 -11.598 -7.398 -20.507 575 HB1 ALA -1 1HB ALA -1 -10.319 -9.947 -19.578 576 HB2 ALA -1 2HB ALA -1 -9.551 -8.457 -20.127 577 HB3 ALA -1 3HB ALA -1 -10.357 -8.508 -18.559 578 HA PRO 0 HA PRO 0 -12.537 -9.647 -24.161 579 HB2 PRO 0 2HB PRO 0 -10.346 -9.109 -25.671 580 HB3 PRO 0 3HB PRO 0 -11.593 -7.905 -25.325 581 HG2 PRO 0 2HG PRO 0 -8.929 -8.303 -24.018 582 HG3 PRO 0 3HG PRO 0 -9.719 -6.794 -24.511 583 HD2 PRO 0 2HD PRO 0 -9.713 -7.665 -21.947 584 HD3 PRO 0 3HD PRO 0 -11.060 -6.737 -22.637 585 H LYS 1 H LYS 1 -11.223 -11.086 -25.866 586 HA LYS 1 HA LYS 1 -9.550 -12.988 -24.370 587 HB2 LYS 1 2HB LYS 1 -12.029 -13.516 -25.960 588 HB3 LYS 1 3HB LYS 1 -10.762 -14.734 -25.922 589 HG2 LYS 1 2HG LYS 1 -10.946 -14.312 -23.314 590 HG3 LYS 1 3HG LYS 1 -12.577 -13.810 -23.769 591 HD2 LYS 1 2HD LYS 1 -11.450 -16.395 -24.776 592 HD3 LYS 1 3HD LYS 1 -12.132 -16.292 -23.151 593 HE2 LYS 1 2HE LYS 1 -13.966 -16.940 -24.389 594 HE3 LYS 1 3HE LYS 1 -14.152 -15.188 -24.367 595 HZ1 LYS 1 3HZ LYS 1 -14.154 -15.232 -26.566 596 HZ2 LYS 1 1HZ LYS 1 -13.865 -16.899 -26.585 597 HZ3 LYS 1 2HZ LYS 1 -12.566 -15.815 -26.560 598 HA PRO 2 HA PRO 2 -6.799 -12.908 -27.789 599 HB2 PRO 2 2HB PRO 2 -5.879 -15.462 -27.816 600 HB3 PRO 2 3HB PRO 2 -5.423 -14.290 -26.575 601 HG2 PRO 2 2HG PRO 2 -7.481 -16.461 -26.465 602 HG3 PRO 2 3HG PRO 2 -6.297 -15.979 -25.236 603 HD2 PRO 2 2HD PRO 2 -8.895 -15.222 -25.133 604 HD3 PRO 2 3HD PRO 2 -7.578 -14.202 -24.519 605 HA PRO 3 HA PRO 3 -8.654 -14.376 -31.496 606 HB2 PRO 3 2HB PRO 3 -6.498 -14.941 -33.046 607 HB3 PRO 3 3HB PRO 3 -6.990 -13.290 -32.649 608 HG2 PRO 3 2HG PRO 3 -4.850 -14.979 -31.411 609 HG3 PRO 3 3HG PRO 3 -4.804 -13.263 -31.858 610 HD2 PRO 3 2HD PRO 3 -5.198 -14.096 -29.311 611 HD3 PRO 3 3HD PRO 3 -5.923 -12.607 -29.952 612 H SER 4 H SER 4 -9.474 -16.318 -30.350 613 HA SER 4 HA SER 4 -8.171 -18.747 -30.145 614 HB2 SER 4 2HB SER 4 -11.037 -17.952 -30.438 615 HB3 SER 4 3HB SER 4 -10.622 -19.660 -30.578 616 HG SER 4 HG SER 4 -11.058 -18.462 -28.381 617 H SER 5 H SER 5 -10.485 -17.948 -32.741 618 HA SER 5 HA SER 5 -10.658 -18.665 -34.894 619 HB2 SER 5 2HB SER 5 -7.705 -19.122 -35.036 620 HB3 SER 5 3HB SER 5 -8.781 -18.375 -36.216 621 HG SER 5 HG SER 5 -8.919 -16.565 -34.819 622 H ALA 6 H ALA 6 -11.037 -20.634 -32.950 623 HA ALA 6 HA ALA 6 -9.777 -23.019 -34.123 624 HB1 ALA 6 1HB ALA 6 -11.319 -23.043 -31.558 625 HB2 ALA 6 2HB ALA 6 -10.035 -24.124 -32.100 626 HB3 ALA 6 3HB ALA 6 -9.648 -22.478 -31.600 Start of MODEL 13 1 H1 MET -4 H MET -4 1.844 -3.460 1.805 2 HA MET -4 HA MET -4 3.640 -3.397 -0.481 3 HB2 MET -4 2HB MET -4 4.085 -4.480 1.852 4 HB3 MET -4 3HB MET -4 3.149 -5.824 1.210 5 HG2 MET -4 2HG MET -4 4.743 -6.383 -0.332 6 HG3 MET -4 3HG MET -4 5.397 -4.748 -0.409 7 HE1 MET -4 3HE MET -4 6.767 -3.680 1.804 8 HE2 MET -4 1HE MET -4 8.215 -4.669 1.991 9 HE3 MET -4 2HE MET -4 7.618 -4.276 0.378 10 H ALA -3 H ALA -3 1.040 -3.122 -1.298 11 HA ALA -3 HA ALA -3 0.308 -5.774 -2.342 12 HB1 ALA -3 1HB ALA -3 -1.871 -5.212 -2.220 13 HB2 ALA -3 2HB ALA -3 -1.289 -4.041 -1.035 14 HB3 ALA -3 3HB ALA -3 -1.577 -3.540 -2.701 15 H ILE -2 H ILE -2 2.430 -3.990 -3.384 16 HA ILE -2 HA ILE -2 1.385 -3.716 -6.123 17 HB ILE -2 HB ILE -2 3.296 -1.834 -4.735 18 HG12 ILE -2 2HG1 ILE -2 0.674 -1.116 -6.020 19 HG13 ILE -2 3HG1 ILE -2 0.732 -1.701 -4.361 20 HG21 ILE -2 1HG2 ILE -2 4.023 -2.147 -7.003 21 HG22 ILE -2 2HG2 ILE -2 2.380 -1.929 -7.604 22 HG23 ILE -2 3HG2 ILE -2 3.238 -0.573 -6.873 23 HD11 ILE -2 3HD1 ILE -2 1.333 0.292 -3.617 24 HD12 ILE -2 1HD1 ILE -2 2.666 0.386 -4.768 25 HD13 ILE -2 2HD1 ILE -2 1.051 0.915 -5.242 26 H VAL -1 H VAL -1 2.548 -4.701 -7.656 27 HA VAL -1 HA VAL -1 5.204 -5.740 -6.908 28 HB VAL -1 HB VAL -1 3.269 -6.897 -8.920 29 HG11 VAL -1 1HG1 VAL -1 5.321 -7.584 -9.695 30 HG12 VAL -1 2HG1 VAL -1 6.048 -7.594 -8.087 31 HG13 VAL -1 3HG1 VAL -1 4.939 -8.881 -8.563 32 HG21 VAL -1 3HG2 VAL -1 2.335 -7.306 -6.795 33 HG22 VAL -1 1HG2 VAL -1 3.195 -8.786 -7.221 34 HG23 VAL -1 2HG2 VAL -1 3.910 -7.647 -6.079 35 H ASN 1 H ASN 1 6.913 -5.184 -8.113 36 HA ASN 1 HA ASN 1 6.459 -3.435 -10.405 37 HB2 ASN 1 2HB ASN 1 9.170 -4.072 -9.288 38 HB3 ASN 1 3HB ASN 1 8.611 -2.597 -10.071 39 HD21 ASN 1 1HD2 ASN 1 6.705 -1.560 -8.826 40 HD22 ASN 1 2HD2 ASN 1 6.949 -1.398 -7.123 41 H GLN 2 H GLN 2 5.691 -5.690 -11.336 42 HA GLN 2 HA GLN 2 7.974 -7.091 -12.532 43 HB2 GLN 2 2HB GLN 2 6.159 -8.379 -11.331 44 HB3 GLN 2 3HB GLN 2 5.069 -7.906 -12.628 45 HG2 GLN 2 2HG GLN 2 5.853 -10.106 -13.079 46 HG3 GLN 2 3HG GLN 2 6.600 -9.009 -14.240 47 HE21 GLN 2 1HE2 GLN 2 8.299 -10.410 -14.643 48 HE22 GLN 2 2HE2 GLN 2 9.564 -10.684 -13.500 49 H ARG 3 H ARG 3 8.386 -7.033 -14.670 50 HA ARG 3 HA ARG 3 6.838 -5.162 -16.275 51 HB2 ARG 3 2HB ARG 3 8.673 -5.131 -17.778 52 HB3 ARG 3 3HB ARG 3 9.366 -5.132 -16.162 53 HG2 ARG 3 2HG ARG 3 9.289 -7.783 -16.664 54 HG3 ARG 3 3HG ARG 3 9.529 -7.145 -18.292 55 HD2 ARG 3 2HD ARG 3 11.692 -7.481 -17.442 56 HD3 ARG 3 3HD ARG 3 11.406 -5.747 -17.298 57 HE ARG 3 HE ARG 3 10.632 -6.796 -14.889 58 HH11 ARG 3 1HH1 ARG 3 13.549 -6.812 -16.789 59 HH12 ARG 3 2HH1 ARG 3 14.599 -6.910 -15.414 60 HH21 ARG 3 1HH2 ARG 3 12.003 -6.924 -13.071 61 HH22 ARG 3 2HH2 ARG 3 13.718 -6.975 -13.300 62 H ALA 4 H ALA 4 6.400 -5.737 -18.579 63 HA ALA 4 HA ALA 4 6.091 -8.539 -19.204 64 HB1 ALA 4 1HB ALA 4 3.521 -7.106 -19.416 65 HB2 ALA 4 2HB ALA 4 3.856 -8.789 -19.004 66 HB3 ALA 4 3HB ALA 4 4.046 -7.528 -17.786 67 H VAL 5 H VAL 5 5.539 -8.918 -21.402 68 HA VAL 5 HA VAL 5 6.044 -6.589 -23.121 69 HB VAL 5 HB VAL 5 7.605 -8.524 -23.301 70 HG11 VAL 5 1HG1 VAL 5 6.916 -10.595 -24.240 71 HG12 VAL 5 2HG1 VAL 5 5.815 -10.246 -22.906 72 HG13 VAL 5 3HG1 VAL 5 5.297 -9.981 -24.572 73 HG21 VAL 5 3HG2 VAL 5 7.046 -6.894 -25.175 74 HG22 VAL 5 1HG2 VAL 5 7.788 -8.423 -25.645 75 HG23 VAL 5 2HG2 VAL 5 6.053 -8.184 -25.854 76 H ALA 6 H ALA 6 4.817 -6.277 -25.028 77 HA ALA 6 HA ALA 6 2.049 -7.125 -24.748 78 HB1 ALA 6 1HB ALA 6 3.452 -5.011 -26.325 79 HB2 ALA 6 2HB ALA 6 1.829 -5.524 -26.789 80 HB3 ALA 6 3HB ALA 6 2.118 -4.860 -25.180 81 H LEU 7 H LEU 7 1.347 -8.897 -25.727 82 HA LEU 7 HA LEU 7 2.832 -10.072 -27.916 83 HB2 LEU 7 2HB LEU 7 0.215 -11.085 -26.868 84 HB3 LEU 7 3HB LEU 7 1.536 -11.989 -27.605 85 HG LEU 7 HG LEU 7 1.689 -10.703 -24.882 86 HD11 LEU 7 1HD1 LEU 7 1.312 -13.629 -25.443 87 HD12 LEU 7 2HD1 LEU 7 -0.044 -12.544 -25.139 88 HD13 LEU 7 3HD1 LEU 7 1.191 -12.779 -23.902 89 HD21 LEU 7 3HD2 LEU 7 3.814 -11.368 -24.822 90 HD22 LEU 7 1HD2 LEU 7 3.686 -11.613 -26.564 91 HD23 LEU 7 2HD2 LEU 7 3.414 -12.963 -25.462 92 H TYR 8 H TYR 8 -0.260 -8.478 -27.396 93 HA TYR 8 HA TYR 8 -0.529 -8.177 -30.296 94 HB2 TYR 8 2HB TYR 8 -2.959 -8.827 -28.657 95 HB3 TYR 8 3HB TYR 8 -2.733 -8.952 -30.398 96 HD1 TYR 8 HD1 TYR 8 -0.915 -10.703 -31.157 97 HD2 TYR 8 HD2 TYR 8 -2.883 -10.757 -27.385 98 HE1 TYR 8 HE1 TYR 8 -0.383 -13.092 -30.920 99 HE2 TYR 8 HE2 TYR 8 -2.355 -13.147 -27.137 100 HH TYR 8 HH TYR 8 -1.120 -14.854 -27.956 101 H ASP 9 H ASP 9 -1.249 -6.214 -30.922 102 HA ASP 9 HA ASP 9 -1.262 -4.077 -29.094 103 HB2 ASP 9 2HB ASP 9 -1.733 -2.676 -30.939 104 HB3 ASP 9 3HB ASP 9 -0.788 -4.005 -31.604 105 H PHE 10 H PHE 10 -2.870 -2.952 -28.101 106 HA PHE 10 HA PHE 10 -5.651 -3.638 -28.649 107 HB2 PHE 10 2HB PHE 10 -5.369 -5.194 -26.941 108 HB3 PHE 10 3HB PHE 10 -4.222 -4.180 -26.071 109 HD1 PHE 10 HD1 PHE 10 -7.775 -4.749 -26.803 110 HD2 PHE 10 HD2 PHE 10 -4.956 -2.542 -24.502 111 HE1 PHE 10 HE1 PHE 10 -9.591 -3.960 -25.342 112 HE2 PHE 10 HE2 PHE 10 -6.767 -1.750 -23.037 113 HZ PHE 10 HZ PHE 10 -9.088 -2.459 -23.455 114 H GLU 11 H GLU 11 -7.123 -2.044 -28.072 115 HA GLU 11 HA GLU 11 -5.922 0.492 -27.171 116 HB2 GLU 11 2HB GLU 11 -7.345 -0.086 -29.536 117 HB3 GLU 11 3HB GLU 11 -8.428 0.869 -28.534 118 HG2 GLU 11 2HG GLU 11 -7.089 2.722 -28.602 119 HG3 GLU 11 3HG GLU 11 -5.621 1.786 -28.874 120 HA PRO 12 HA PRO 12 -8.647 0.430 -23.719 121 HB2 PRO 12 2HB PRO 12 -8.743 3.090 -23.186 122 HB3 PRO 12 3HB PRO 12 -7.327 2.091 -22.837 123 HG2 PRO 12 2HG PRO 12 -7.835 3.910 -25.160 124 HG3 PRO 12 3HG PRO 12 -6.357 3.704 -24.202 125 HD2 PRO 12 2HD PRO 12 -6.691 2.552 -26.629 126 HD3 PRO 12 3HD PRO 12 -5.735 1.798 -25.337 127 H GLU 13 H GLU 13 -10.801 0.523 -23.342 128 HA GLU 13 HA GLU 13 -12.463 1.771 -25.412 129 HB2 GLU 13 2HB GLU 13 -12.744 -0.598 -23.662 130 HB3 GLU 13 3HB GLU 13 -14.216 0.316 -23.956 131 HG2 GLU 13 2HG GLU 13 -13.531 0.149 -26.446 132 HG3 GLU 13 3HG GLU 13 -12.496 -1.166 -25.894 133 H ASN 14 H ASN 14 -11.580 2.020 -22.104 134 HA ASN 14 HA ASN 14 -13.790 3.900 -21.608 135 HB2 ASN 14 2HB ASN 14 -12.212 2.098 -19.809 136 HB3 ASN 14 3HB ASN 14 -12.929 3.564 -19.148 137 HD21 ASN 14 1HD2 ASN 14 -13.413 0.358 -19.692 138 HD22 ASN 14 2HD2 ASN 14 -15.138 0.310 -19.609 139 H ASP 15 H ASP 15 -13.056 5.580 -19.835 140 HA ASP 15 HA ASP 15 -10.789 6.987 -21.006 141 HB2 ASP 15 2HB ASP 15 -13.051 7.776 -19.199 142 HB3 ASP 15 3HB ASP 15 -11.623 8.800 -19.327 143 H ASN 16 H ASN 16 -10.613 4.610 -19.125 144 HA ASN 16 HA ASN 16 -8.611 5.803 -17.354 145 HB2 ASN 16 2HB ASN 16 -9.516 3.989 -15.637 146 HB3 ASN 16 3HB ASN 16 -10.206 5.608 -15.712 147 HD21 ASN 16 1HD2 ASN 16 -10.823 2.313 -15.889 148 HD22 ASN 16 2HD2 ASN 16 -12.458 2.390 -16.442 149 H GLU 17 H GLU 17 -8.905 3.957 -19.824 150 HA GLU 17 HA GLU 17 -7.324 1.698 -18.801 151 HB2 GLU 17 2HB GLU 17 -9.017 2.025 -21.270 152 HB3 GLU 17 3HB GLU 17 -7.854 0.717 -21.108 153 HG2 GLU 17 2HG GLU 17 -9.140 0.352 -18.824 154 HG3 GLU 17 3HG GLU 17 -10.434 1.149 -19.718 155 H LEU 18 H LEU 18 -5.507 0.965 -20.096 156 HA LEU 18 HA LEU 18 -4.117 3.229 -21.349 157 HB2 LEU 18 2HB LEU 18 -3.218 1.853 -19.320 158 HB3 LEU 18 3HB LEU 18 -2.769 0.683 -20.559 159 HG LEU 18 HG LEU 18 -1.851 3.328 -21.262 160 HD11 LEU 18 1HD1 LEU 18 -1.100 2.264 -18.552 161 HD12 LEU 18 2HD1 LEU 18 -1.720 3.862 -18.965 162 HD13 LEU 18 3HD1 LEU 18 -0.092 3.395 -19.455 163 HD21 LEU 18 3HD2 LEU 18 -1.134 0.779 -21.778 164 HD22 LEU 18 1HD2 LEU 18 0.050 1.199 -20.540 165 HD23 LEU 18 2HD2 LEU 18 -0.070 2.167 -22.009 166 H ARG 19 H ARG 19 -2.685 2.737 -23.183 167 HA ARG 19 HA ARG 19 -4.007 0.880 -25.015 168 HB2 ARG 19 2HB ARG 19 -1.831 2.778 -25.823 169 HB3 ARG 19 3HB ARG 19 -3.170 2.155 -26.777 170 HG2 ARG 19 2HG ARG 19 -4.499 3.533 -24.857 171 HG3 ARG 19 3HG ARG 19 -3.030 4.497 -25.023 172 HD2 ARG 19 2HD ARG 19 -3.574 4.146 -27.605 173 HD3 ARG 19 3HD ARG 19 -5.211 3.993 -26.969 174 HE ARG 19 HE ARG 19 -5.222 6.246 -26.630 175 HH11 ARG 19 1HH1 ARG 19 -1.916 5.173 -26.825 176 HH12 ARG 19 2HH1 ARG 19 -1.256 6.773 -26.749 177 HH21 ARG 19 1HH2 ARG 19 -4.365 8.357 -26.529 178 HH22 ARG 19 2HH2 ARG 19 -2.649 8.583 -26.580 179 H LEU 20 H LEU 20 -2.802 -0.578 -26.323 180 HA LEU 20 HA LEU 20 -0.076 -1.168 -25.421 181 HB2 LEU 20 2HB LEU 20 -2.302 -2.661 -24.661 182 HB3 LEU 20 3HB LEU 20 -1.560 -3.589 -25.963 183 HG LEU 20 HG LEU 20 0.484 -3.797 -24.749 184 HD11 LEU 20 1HD1 LEU 20 0.243 -2.784 -22.261 185 HD12 LEU 20 2HD1 LEU 20 -0.627 -1.563 -23.189 186 HD13 LEU 20 3HD1 LEU 20 1.046 -1.951 -23.593 187 HD21 LEU 20 3HD2 LEU 20 -2.051 -4.444 -23.347 188 HD22 LEU 20 1HD2 LEU 20 -0.541 -4.655 -22.460 189 HD23 LEU 20 2HD2 LEU 20 -0.799 -5.514 -23.979 190 H ALA 21 H ALA 21 1.225 -2.243 -26.940 191 HA ALA 21 HA ALA 21 0.087 -2.728 -29.590 192 HB1 ALA 21 1HB ALA 21 0.850 -0.765 -30.333 193 HB2 ALA 21 2HB ALA 21 1.850 -0.511 -28.902 194 HB3 ALA 21 3HB ALA 21 2.453 -1.495 -30.235 195 H GLU 22 H GLU 22 1.052 -4.366 -30.695 196 HA GLU 22 HA GLU 22 2.487 -6.316 -29.385 197 HB2 GLU 22 2HB GLU 22 1.300 -6.621 -31.542 198 HB3 GLU 22 3HB GLU 22 2.584 -5.734 -32.349 199 HG2 GLU 22 2HG GLU 22 3.885 -7.734 -30.918 200 HG3 GLU 22 3HG GLU 22 2.457 -8.509 -31.600 201 H GLY 23 H GLY 23 4.476 -6.368 -28.590 202 HA2 GLY 23 2HA GLY 23 6.836 -6.291 -28.818 203 HA3 GLY 23 3HA GLY 23 6.648 -5.091 -30.088 204 H ASP 24 H ASP 24 4.580 -4.097 -27.795 205 HA ASP 24 HA ASP 24 6.423 -2.078 -26.841 206 HB2 ASP 24 2HB ASP 24 3.455 -2.472 -26.417 207 HB3 ASP 24 3HB ASP 24 4.372 -1.116 -25.766 208 H ILE 25 H ILE 25 6.951 -1.680 -24.692 209 HA ILE 25 HA ILE 25 6.680 -4.014 -22.934 210 HB ILE 25 HB ILE 25 8.589 -1.681 -22.733 211 HG12 ILE 25 2HG1 ILE 25 8.777 -3.506 -24.628 212 HG13 ILE 25 3HG1 ILE 25 10.209 -2.964 -23.760 213 HG21 ILE 25 1HG2 ILE 25 9.742 -3.249 -21.101 214 HG22 ILE 25 2HG2 ILE 25 8.251 -2.487 -20.549 215 HG23 ILE 25 3HG2 ILE 25 8.237 -4.168 -21.084 216 HD11 ILE 25 3HD1 ILE 25 8.679 -5.350 -22.818 217 HD12 ILE 25 1HD1 ILE 25 9.842 -5.483 -24.137 218 HD13 ILE 25 2HD1 ILE 25 10.370 -4.926 -22.549 219 H VAL 26 H VAL 26 5.938 -3.841 -20.834 220 HA VAL 26 HA VAL 26 5.032 -1.245 -19.863 221 HB VAL 26 HB VAL 26 2.811 -2.413 -19.199 222 HG11 VAL 26 1HG1 VAL 26 3.594 -0.786 -21.346 223 HG12 VAL 26 2HG1 VAL 26 2.489 -1.986 -22.019 224 HG13 VAL 26 3HG1 VAL 26 1.977 -0.972 -20.669 225 HG21 VAL 26 3HG2 VAL 26 3.447 -4.656 -19.924 226 HG22 VAL 26 1HG2 VAL 26 2.035 -4.082 -20.811 227 HG23 VAL 26 2HG2 VAL 26 3.622 -4.080 -21.582 228 H PHE 27 H PHE 27 4.425 -1.277 -17.595 229 HA PHE 27 HA PHE 27 5.679 -3.515 -16.145 230 HB2 PHE 27 2HB PHE 27 5.527 -0.601 -15.346 231 HB3 PHE 27 3HB PHE 27 6.231 -1.886 -14.371 232 HD1 PHE 27 HD2 PHE 27 8.010 -3.353 -15.803 233 HD2 PHE 27 HD1 PHE 27 7.013 0.733 -16.452 234 HE1 PHE 27 HE2 PHE 27 10.180 -3.003 -16.908 235 HE2 PHE 27 HE1 PHE 27 9.182 1.090 -17.559 236 HZ PHE 27 HZ PHE 27 10.769 -0.779 -17.786 237 H ILE 28 H ILE 28 4.144 -4.756 -15.295 238 HA ILE 28 HA ILE 28 1.523 -3.801 -14.681 239 HB ILE 28 HB ILE 28 2.683 -6.406 -13.720 240 HG12 ILE 28 2HG1 ILE 28 3.220 -6.242 -16.086 241 HG13 ILE 28 3HG1 ILE 28 1.905 -7.390 -15.860 242 HG21 ILE 28 1HG2 ILE 28 0.526 -5.937 -12.819 243 HG22 ILE 28 2HG2 ILE 28 -0.094 -5.465 -14.400 244 HG23 ILE 28 3HG2 ILE 28 0.320 -7.149 -14.083 245 HD11 ILE 28 3HD1 ILE 28 0.550 -5.069 -16.289 246 HD12 ILE 28 1HD1 ILE 28 1.968 -4.863 -17.317 247 HD13 ILE 28 2HD1 ILE 28 0.927 -6.273 -17.521 248 H SER 29 H SER 29 1.365 -2.358 -13.060 249 HA SER 29 HA SER 29 2.974 -2.328 -10.744 250 HB2 SER 29 2HB SER 29 0.419 -0.982 -11.548 251 HB3 SER 29 3HB SER 29 0.971 -0.868 -9.877 252 HG SER 29 HG SER 29 1.773 0.567 -11.925 253 H TYR 30 H TYR 30 -0.218 -3.683 -11.408 254 HA TYR 30 HA TYR 30 0.025 -5.698 -9.457 255 HB2 TYR 30 2HB TYR 30 -1.486 -4.983 -7.755 256 HB3 TYR 30 3HB TYR 30 -0.327 -3.678 -7.979 257 HD1 TYR 30 HD1 TYR 30 -1.007 -1.562 -8.966 258 HD2 TYR 30 HD2 TYR 30 -3.809 -4.715 -8.410 259 HE1 TYR 30 HE1 TYR 30 -2.853 0.021 -9.335 260 HE2 TYR 30 HE2 TYR 30 -5.663 -3.141 -8.778 261 HH TYR 30 HH TYR 30 -6.201 -0.920 -8.868 262 H LYS 31 H LYS 31 -1.675 -7.188 -9.530 263 HA LYS 31 HA LYS 31 -3.263 -7.052 -11.934 264 HB2 LYS 31 2HB LYS 31 -2.340 -9.180 -11.491 265 HB3 LYS 31 3HB LYS 31 -2.853 -9.144 -9.809 266 HG2 LYS 31 2HG LYS 31 -5.109 -9.529 -10.387 267 HG3 LYS 31 3HG LYS 31 -4.798 -9.217 -12.097 268 HD2 LYS 31 2HD LYS 31 -3.576 -11.234 -12.334 269 HD3 LYS 31 3HD LYS 31 -3.503 -11.477 -10.587 270 HE2 LYS 31 2HE LYS 31 -5.388 -12.646 -10.666 271 HE3 LYS 31 3HE LYS 31 -6.233 -11.251 -11.333 272 HZ1 LYS 31 3HZ LYS 31 -4.610 -12.778 -13.200 273 HZ2 LYS 31 1HZ LYS 31 -6.132 -12.070 -13.414 274 HZ3 LYS 31 2HZ LYS 31 -5.994 -13.556 -12.618 275 H HIS 32 H HIS 32 -5.501 -7.036 -12.079 276 HA HIS 32 HA HIS 32 -6.995 -6.548 -9.598 277 HB2 HIS 32 2HB HIS 32 -6.358 -4.414 -10.913 278 HB3 HIS 32 3HB HIS 32 -7.559 -4.950 -12.084 279 HD1 HIS 32 HD1 HIS 32 -7.535 -4.570 -8.287 280 HD2 HIS 32 HD2 HIS 32 -9.902 -3.722 -11.594 281 HE1 HIS 32 HE1 HIS 32 -9.589 -3.443 -7.373 282 H GLY 33 H GLY 33 -9.255 -7.012 -9.719 283 HA2 GLY 33 2HA GLY 33 -9.886 -9.352 -11.116 284 HA3 GLY 33 3HA GLY 33 -11.053 -8.297 -10.335 285 H GLN 34 H GLN 34 -12.228 -9.254 -12.315 286 HA GLN 34 HA GLN 34 -13.313 -8.815 -14.266 287 HB2 GLN 34 2HB GLN 34 -11.890 -6.154 -14.268 288 HB3 GLN 34 3HB GLN 34 -13.387 -6.565 -15.096 289 HG2 GLN 34 2HG GLN 34 -13.050 -6.527 -12.106 290 HG3 GLN 34 3HG GLN 34 -13.703 -5.196 -13.060 291 HE21 GLN 34 1HE2 GLN 34 -14.725 -7.276 -10.998 292 HE22 GLN 34 2HE2 GLN 34 -16.234 -7.773 -11.675 293 H GLY 35 H GLY 35 -10.283 -9.587 -14.037 294 HA2 GLY 35 2HA GLY 35 -8.743 -10.394 -15.541 295 HA3 GLY 35 3HA GLY 35 -9.940 -10.132 -16.802 296 H TRP 36 H TRP 36 -8.830 -7.553 -14.725 297 HA TRP 36 HA TRP 36 -7.309 -6.443 -16.992 298 HB2 TRP 36 2HB TRP 36 -9.181 -5.031 -15.088 299 HB3 TRP 36 3HB TRP 36 -8.036 -4.177 -16.118 300 HD1 TRP 36 HD1 TRP 36 -11.438 -5.750 -16.151 301 HE1 TRP 36 HE1 TRP 36 -12.470 -5.540 -18.500 302 HE3 TRP 36 HE3 TRP 36 -7.300 -4.199 -18.722 303 HZ2 TRP 36 HZ2 TRP 36 -11.640 -4.815 -21.098 304 HZ3 TRP 36 HZ3 TRP 36 -7.503 -3.770 -21.136 305 HH2 TRP 36 HH2 TRP 36 -9.629 -4.072 -22.298 306 H LEU 37 H LEU 37 -5.325 -5.636 -16.564 307 HA LEU 37 HA LEU 37 -4.475 -5.580 -13.743 308 HB2 LEU 37 2HB LEU 37 -2.508 -6.032 -15.928 309 HB3 LEU 37 3HB LEU 37 -2.473 -6.574 -14.251 310 HG LEU 37 HG LEU 37 -4.071 -7.759 -16.517 311 HD11 LEU 37 1HD1 LEU 37 -2.103 -8.804 -16.804 312 HD12 LEU 37 2HD1 LEU 37 -2.625 -9.760 -15.417 313 HD13 LEU 37 3HD1 LEU 37 -1.530 -8.398 -15.186 314 HD21 LEU 37 3HD2 LEU 37 -5.522 -8.469 -14.990 315 HD22 LEU 37 1HD2 LEU 37 -4.555 -7.800 -13.675 316 HD23 LEU 37 2HD2 LEU 37 -4.216 -9.421 -14.282 317 H VAL 38 H VAL 38 -3.549 -3.762 -13.012 318 HA VAL 38 HA VAL 38 -3.470 -1.454 -14.730 319 HB VAL 38 HB VAL 38 -2.618 -1.724 -11.844 320 HG11 VAL 38 1HG1 VAL 38 -3.139 0.801 -11.936 321 HG12 VAL 38 2HG1 VAL 38 -1.606 0.230 -12.598 322 HG13 VAL 38 3HG1 VAL 38 -2.944 0.621 -13.679 323 HG21 VAL 38 3HG2 VAL 38 -5.247 -1.077 -13.134 324 HG22 VAL 38 1HG2 VAL 38 -4.894 -2.237 -11.854 325 HG23 VAL 38 2HG2 VAL 38 -4.858 -0.507 -11.511 326 H ALA 39 H ALA 39 -1.823 -1.215 -16.098 327 HA ALA 39 HA ALA 39 0.905 -1.565 -15.049 328 HB1 ALA 39 1HB ALA 39 1.561 -2.907 -16.730 329 HB2 ALA 39 2HB ALA 39 -0.160 -3.274 -16.854 330 HB3 ALA 39 3HB ALA 39 0.564 -2.074 -17.924 331 H GLU 40 H GLU 40 2.549 -0.354 -16.305 332 HA GLU 40 HA GLU 40 1.413 2.132 -17.409 333 HB2 GLU 40 2HB GLU 40 3.214 3.374 -16.442 334 HB3 GLU 40 3HB GLU 40 2.521 2.373 -15.174 335 HG2 GLU 40 2HG GLU 40 4.558 0.840 -16.329 336 HG3 GLU 40 3HG GLU 40 5.211 2.468 -16.155 337 H ASN 41 H ASN 41 2.690 3.221 -19.028 338 HA ASN 41 HA ASN 41 3.702 1.440 -20.990 339 HB2 ASN 41 2HB ASN 41 3.826 3.283 -22.396 340 HB3 ASN 41 3HB ASN 41 2.589 3.792 -21.251 341 HD21 ASN 41 1HD2 ASN 41 4.072 4.520 -19.089 342 HD22 ASN 41 2HD2 ASN 41 5.066 5.876 -19.486 343 H GLU 42 H GLU 42 5.886 2.422 -22.126 344 HA GLU 42 HA GLU 42 7.981 1.537 -20.427 345 HB2 GLU 42 2HB GLU 42 7.758 1.537 -23.050 346 HB3 GLU 42 3HB GLU 42 8.524 3.113 -22.911 347 HG2 GLU 42 2HG GLU 42 9.751 0.794 -21.510 348 HG3 GLU 42 3HG GLU 42 9.940 0.938 -23.257 349 H SER 43 H SER 43 6.863 4.709 -21.472 350 HA SER 43 HA SER 43 8.995 6.267 -20.591 351 HB2 SER 43 2HB SER 43 6.793 6.894 -21.889 352 HB3 SER 43 3HB SER 43 6.185 7.260 -20.274 353 HG SER 43 HG SER 43 7.368 8.959 -21.613 354 H GLY 44 H GLY 44 6.599 4.561 -18.796 355 HA2 GLY 44 2HA GLY 44 6.401 4.209 -16.531 356 HA3 GLY 44 3HA GLY 44 7.910 5.084 -16.324 357 H SER 45 H SER 45 5.714 6.924 -18.064 358 HA SER 45 HA SER 45 5.023 8.441 -15.639 359 HB2 SER 45 2HB SER 45 6.359 9.758 -17.149 360 HB3 SER 45 3HB SER 45 5.327 9.332 -18.514 361 HG SER 45 HG SER 45 5.061 11.360 -16.812 362 H LYS 46 H LYS 46 3.747 6.691 -18.308 363 HA LYS 46 HA LYS 46 1.033 7.665 -17.728 364 HB2 LYS 46 2HB LYS 46 1.025 7.859 -19.975 365 HB3 LYS 46 3HB LYS 46 2.400 6.779 -20.168 366 HG2 LYS 46 2HG LYS 46 1.041 4.869 -20.173 367 HG3 LYS 46 3HG LYS 46 -0.345 5.752 -19.527 368 HD2 LYS 46 2HD LYS 46 0.873 6.385 -22.204 369 HD3 LYS 46 3HD LYS 46 -0.405 5.184 -22.004 370 HE2 LYS 46 2HE LYS 46 -1.745 7.000 -20.859 371 HE3 LYS 46 3HE LYS 46 -0.521 8.136 -21.425 372 HZ1 LYS 46 3HZ LYS 46 -1.432 6.465 -23.538 373 HZ2 LYS 46 1HZ LYS 46 -1.427 8.154 -23.434 374 HZ3 LYS 46 2HZ LYS 46 -2.729 7.273 -22.812 375 H THR 47 H THR 47 -0.289 6.401 -16.609 376 HA THR 47 HA THR 47 0.210 3.497 -16.598 377 HB THR 47 HB THR 47 -0.891 4.974 -14.215 378 HG1 THR 47 HG1 THR 47 1.146 5.807 -14.396 379 HG21 THR 47 3HG2 THR 47 -1.341 2.686 -14.018 380 HG22 THR 47 1HG2 THR 47 0.150 2.898 -13.102 381 HG23 THR 47 2HG2 THR 47 0.204 2.226 -14.731 382 H GLY 48 H GLY 48 -1.631 2.147 -16.338 383 HA2 GLY 48 2HA GLY 48 -4.271 3.102 -16.074 384 HA3 GLY 48 3HA GLY 48 -3.894 2.933 -17.782 385 H LEU 49 H LEU 49 -5.655 1.353 -17.734 386 HA LEU 49 HA LEU 49 -4.954 -1.202 -16.484 387 HB2 LEU 49 2HB LEU 49 -7.505 -0.419 -17.882 388 HB3 LEU 49 3HB LEU 49 -7.228 -1.873 -16.926 389 HG LEU 49 HG LEU 49 -6.912 0.775 -15.600 390 HD11 LEU 49 1HD1 LEU 49 -9.536 -0.475 -16.372 391 HD12 LEU 49 2HD1 LEU 49 -8.971 1.162 -16.704 392 HD13 LEU 49 3HD1 LEU 49 -9.366 0.683 -15.053 393 HD21 LEU 49 3HD2 LEU 49 -6.507 -1.591 -14.619 394 HD22 LEU 49 1HD2 LEU 49 -8.267 -1.667 -14.529 395 HD23 LEU 49 2HD2 LEU 49 -7.395 -0.401 -13.666 396 H VAL 50 H VAL 50 -4.468 -3.000 -17.631 397 HA VAL 50 HA VAL 50 -4.714 -2.907 -20.556 398 HB VAL 50 HB VAL 50 -2.491 -3.779 -20.886 399 HG11 VAL 50 1HG1 VAL 50 -1.648 -1.720 -20.905 400 HG12 VAL 50 2HG1 VAL 50 -3.068 -1.201 -19.995 401 HG13 VAL 50 3HG1 VAL 50 -1.593 -1.662 -19.144 402 HG21 VAL 50 3HG2 VAL 50 -2.355 -5.088 -18.802 403 HG22 VAL 50 1HG2 VAL 50 -0.917 -4.102 -19.071 404 HG23 VAL 50 2HG2 VAL 50 -2.129 -3.592 -17.895 405 HA PRO 51 HA PRO 51 -6.197 -7.026 -20.210 406 HB2 PRO 51 2HB PRO 51 -5.389 -8.064 -22.585 407 HB3 PRO 51 3HB PRO 51 -6.709 -6.896 -22.446 408 HG2 PRO 51 2HG PRO 51 -3.850 -6.442 -23.208 409 HG3 PRO 51 3HG PRO 51 -5.322 -5.766 -23.931 410 HD2 PRO 51 2HD PRO 51 -3.780 -4.375 -22.192 411 HD3 PRO 51 3HD PRO 51 -5.540 -4.161 -22.291 412 H GLU 52 H GLU 52 -5.556 -9.011 -19.502 413 HA GLU 52 HA GLU 52 -2.704 -9.381 -19.055 414 HB2 GLU 52 2HB GLU 52 -4.304 -9.702 -17.196 415 HB3 GLU 52 3HB GLU 52 -5.048 -11.024 -18.084 416 HG2 GLU 52 2HG GLU 52 -2.133 -11.071 -17.416 417 HG3 GLU 52 3HG GLU 52 -3.348 -11.572 -16.241 418 H GLU 53 H GLU 53 -5.288 -10.681 -20.979 419 HA GLU 53 HA GLU 53 -3.781 -13.034 -21.753 420 HB2 GLU 53 2HB GLU 53 -6.530 -12.163 -21.908 421 HB3 GLU 53 3HB GLU 53 -5.975 -12.727 -23.478 422 HG2 GLU 53 2HG GLU 53 -5.796 -14.283 -20.908 423 HG3 GLU 53 3HG GLU 53 -7.022 -14.502 -22.155 424 H PHE 54 H PHE 54 -3.232 -10.007 -22.430 425 HA PHE 54 HA PHE 54 -2.673 -10.491 -25.283 426 HB2 PHE 54 2HB PHE 54 -3.931 -8.223 -23.932 427 HB3 PHE 54 3HB PHE 54 -2.595 -7.746 -24.975 428 HD1 PHE 54 HD2 PHE 54 -4.900 -10.591 -25.500 429 HD2 PHE 54 HD1 PHE 54 -3.749 -6.677 -26.712 430 HE1 PHE 54 HE2 PHE 54 -6.375 -10.768 -27.462 431 HE2 PHE 54 HE1 PHE 54 -5.222 -6.847 -28.675 432 HZ PHE 54 HZ PHE 54 -6.537 -8.896 -29.053 433 H VAL 55 H VAL 55 -1.354 -10.034 -22.246 434 HA VAL 55 HA VAL 55 1.210 -9.136 -23.393 435 HB VAL 55 HB VAL 55 1.787 -8.403 -21.059 436 HG11 VAL 55 1HG1 VAL 55 -0.563 -6.771 -21.668 437 HG12 VAL 55 2HG1 VAL 55 1.144 -6.327 -21.606 438 HG13 VAL 55 3HG1 VAL 55 0.479 -7.078 -23.057 439 HG21 VAL 55 3HG2 VAL 55 0.215 -9.675 -19.776 440 HG22 VAL 55 1HG2 VAL 55 -0.151 -7.964 -19.548 441 HG23 VAL 55 2HG2 VAL 55 -1.147 -8.943 -20.625 442 H SER 56 H SER 56 3.108 -9.871 -21.943 443 HA SER 56 HA SER 56 2.686 -12.545 -20.839 444 HB2 SER 56 2HB SER 56 3.268 -12.903 -23.204 445 HB3 SER 56 3HB SER 56 4.731 -11.940 -22.991 446 HG SER 56 HG SER 56 4.100 -14.416 -21.758 447 H TYR 57 H TYR 57 3.485 -12.426 -18.855 448 HA TYR 57 HA TYR 57 5.166 -10.489 -17.837 449 HB2 TYR 57 2HB TYR 57 4.380 -13.226 -16.966 450 HB3 TYR 57 3HB TYR 57 5.739 -12.468 -16.143 451 HD1 TYR 57 HD2 TYR 57 2.624 -10.907 -17.459 452 HD2 TYR 57 HD1 TYR 57 4.916 -11.939 -14.026 453 HE1 TYR 57 HE2 TYR 57 1.056 -9.649 -16.041 454 HE2 TYR 57 HE1 TYR 57 3.355 -10.684 -12.599 455 HH TYR 57 HH TYR 57 1.700 -9.056 -12.667 456 H ILE 58 H ILE 58 7.288 -10.102 -17.889 457 HA ILE 58 HA ILE 58 9.001 -12.031 -19.281 458 HB ILE 58 HB ILE 58 9.600 -9.151 -18.602 459 HG12 ILE 58 2HG1 ILE 58 8.728 -10.319 -21.252 460 HG13 ILE 58 3HG1 ILE 58 7.665 -9.438 -20.160 461 HG21 ILE 58 1HG2 ILE 58 11.614 -10.404 -18.908 462 HG22 ILE 58 2HG2 ILE 58 10.981 -11.161 -20.369 463 HG23 ILE 58 3HG2 ILE 58 11.349 -9.436 -20.359 464 HD11 ILE 58 3HD1 ILE 58 9.911 -7.806 -20.557 465 HD12 ILE 58 1HD1 ILE 58 9.458 -8.434 -22.141 466 HD13 ILE 58 2HD1 ILE 58 8.272 -7.568 -21.164 467 H GLN 59 H GLN 59 10.970 -12.716 -18.435 468 HA GLN 59 HA GLN 59 11.472 -12.076 -15.610 469 HB2 GLN 59 2HB GLN 59 10.901 -14.688 -16.830 470 HB3 GLN 59 3HB GLN 59 12.327 -14.668 -15.801 471 HG2 GLN 59 2HG GLN 59 11.125 -14.220 -13.903 472 HG3 GLN 59 3HG GLN 59 9.804 -13.460 -14.789 473 HE21 GLN 59 1HE2 GLN 59 9.330 -15.303 -12.808 474 HE22 GLN 59 2HE2 GLN 59 8.684 -16.745 -13.506 475 HA PRO 60 HA PRO 60 15.693 -11.541 -16.667 476 HB2 PRO 60 2HB PRO 60 16.980 -12.594 -14.520 477 HB3 PRO 60 3HB PRO 60 16.093 -11.066 -14.454 478 HG2 PRO 60 2HG PRO 60 15.231 -13.796 -13.578 479 HG3 PRO 60 3HG PRO 60 15.010 -12.237 -12.762 480 HD2 PRO 60 2HD PRO 60 13.038 -13.432 -14.183 481 HD3 PRO 60 3HD PRO 60 13.200 -11.667 -14.071 482 H GLU 61 H GLU 61 16.334 -14.419 -14.795 483 HA GLU 61 HA GLU 61 17.164 -15.795 -17.266 484 HB2 GLU 61 2HB GLU 61 18.859 -14.998 -15.349 485 HB3 GLU 61 3HB GLU 61 18.396 -16.553 -14.673 486 HG2 GLU 61 2HG GLU 61 19.084 -17.656 -16.743 487 HG3 GLU 61 3HG GLU 61 19.562 -16.096 -17.409 488 H LEU 62 H LEU 62 14.587 -15.854 -15.728 489 HA LEU 62 HA LEU 62 14.458 -18.772 -15.425 490 HB2 LEU 62 2HB LEU 62 12.681 -18.198 -13.601 491 HB3 LEU 62 3HB LEU 62 14.396 -18.254 -13.200 492 HG LEU 62 HG LEU 62 13.552 -15.593 -13.993 493 HD11 LEU 62 1HD1 LEU 62 12.360 -16.540 -11.417 494 HD12 LEU 62 2HD1 LEU 62 11.448 -16.627 -12.924 495 HD13 LEU 62 3HD1 LEU 62 12.022 -15.069 -12.329 496 HD21 LEU 62 3HD2 LEU 62 14.525 -15.171 -11.651 497 HD22 LEU 62 1HD2 LEU 62 15.603 -15.782 -12.906 498 HD23 LEU 62 2HD2 LEU 62 14.963 -16.879 -11.682 499 H GLU 63 H GLU 63 12.122 -19.534 -15.415 500 HA GLU 63 HA GLU 63 10.475 -17.850 -17.181 501 HB2 GLU 63 2HB GLU 63 9.865 -19.744 -18.511 502 HB3 GLU 63 3HB GLU 63 11.621 -19.699 -18.421 503 HG2 GLU 63 2HG GLU 63 11.620 -21.452 -16.762 504 HG3 GLU 63 3HG GLU 63 9.857 -21.455 -16.729 505 H1 GLY -9 H GLY -9 -7.448 8.404 -12.133 506 HA2 GLY -9 2HA GLY -9 -5.653 9.079 -10.039 507 HA3 GLY -9 3HA GLY -9 -7.315 9.237 -9.489 508 H LYS -8 H LYS -8 -8.715 7.320 -9.758 509 HA LYS -8 HA LYS -8 -7.151 4.857 -9.361 510 HB2 LYS -8 2HB LYS -8 -9.734 5.824 -8.173 511 HB3 LYS -8 3HB LYS -8 -9.357 4.106 -8.211 512 HG2 LYS -8 2HG LYS -8 -7.325 5.974 -7.107 513 HG3 LYS -8 3HG LYS -8 -8.753 5.604 -6.137 514 HD2 LYS -8 2HD LYS -8 -7.044 3.463 -7.379 515 HD3 LYS -8 3HD LYS -8 -6.713 4.130 -5.779 516 HE2 LYS -8 2HE LYS -8 -8.961 3.472 -5.052 517 HE3 LYS -8 3HE LYS -8 -9.274 2.793 -6.648 518 HZ1 LYS -8 3HZ LYS -8 -8.560 0.919 -5.663 519 HZ2 LYS -8 1HZ LYS -8 -7.688 1.733 -4.462 520 HZ3 LYS -8 2HZ LYS -8 -7.021 1.534 -6.003 521 H PHE -7 H PHE -7 -7.293 3.384 -10.908 522 HA PHE -7 HA PHE -7 -9.165 3.638 -13.054 523 HB2 PHE -7 2HB PHE -7 -7.385 1.265 -12.501 524 HB3 PHE -7 3HB PHE -7 -8.037 1.786 -14.051 525 HD1 PHE -7 HD2 PHE -7 -7.423 4.498 -14.370 526 HD2 PHE -7 HD1 PHE -7 -5.116 1.514 -12.397 527 HE1 PHE -7 HE2 PHE -7 -5.381 5.803 -14.791 528 HE2 PHE -7 HE1 PHE -7 -3.070 2.815 -12.814 529 HZ PHE -7 HZ PHE -7 -3.200 4.962 -14.014 530 H ILE -6 H ILE -6 -10.881 2.313 -13.595 531 HA ILE -6 HA ILE -6 -11.622 0.109 -11.868 532 HB ILE -6 HB ILE -6 -13.949 1.080 -11.547 533 HG12 ILE -6 2HG1 ILE -6 -12.751 3.794 -11.668 534 HG13 ILE -6 3HG1 ILE -6 -13.153 3.040 -13.207 535 HG21 ILE -6 1HG2 ILE -6 -13.391 1.948 -9.465 536 HG22 ILE -6 2HG2 ILE -6 -12.017 0.913 -9.849 537 HG23 ILE -6 3HG2 ILE -6 -11.889 2.659 -10.055 538 HD11 ILE -6 3HD1 ILE -6 -14.887 4.178 -11.164 539 HD12 ILE -6 1HD1 ILE -6 -15.173 3.916 -12.884 540 HD13 ILE -6 2HD1 ILE -6 -15.410 2.595 -11.739 541 HA PRO -5 HA PRO -5 -12.761 -0.555 -16.270 542 HB2 PRO -5 2HB PRO -5 -12.100 -3.189 -16.257 543 HB3 PRO -5 3HB PRO -5 -10.920 -1.903 -16.538 544 HG2 PRO -5 2HG PRO -5 -11.503 -3.423 -14.026 545 HG3 PRO -5 3HG PRO -5 -9.936 -2.967 -14.719 546 HD2 PRO -5 2HD PRO -5 -11.081 -1.601 -12.681 547 HD3 PRO -5 3HD PRO -5 -10.060 -0.815 -13.902 548 H SER -4 H SER -4 -14.738 -1.154 -16.930 549 HA SER -4 HA SER -4 -16.266 -3.050 -15.280 550 HB2 SER -4 2HB SER -4 -16.998 -0.271 -16.080 551 HB3 SER -4 3HB SER -4 -18.277 -1.485 -16.049 552 HG SER -4 HG SER -4 -18.282 -1.311 -13.967 553 H ARG -3 H ARG -3 -15.195 -4.249 -17.232 554 HA ARG -3 HA ARG -3 -17.270 -5.029 -18.966 555 HB2 ARG -3 2HB ARG -3 -16.585 -4.188 -21.070 556 HB3 ARG -3 3HB ARG -3 -16.594 -2.805 -19.984 557 HG2 ARG -3 2HG ARG -3 -14.171 -2.976 -19.737 558 HG3 ARG -3 3HG ARG -3 -14.161 -4.367 -20.823 559 HD2 ARG -3 2HD ARG -3 -15.468 -2.610 -22.367 560 HD3 ARG -3 3HD ARG -3 -14.495 -1.489 -21.415 561 HE ARG -3 HE ARG -3 -12.617 -2.236 -22.504 562 HH11 ARG -3 1HH1 ARG -3 -15.270 -4.398 -23.142 563 HH12 ARG -3 2HH1 ARG -3 -14.423 -5.286 -24.365 564 HH21 ARG -3 1HH2 ARG -3 -11.492 -3.397 -24.113 565 HH22 ARG -3 2HH2 ARG -3 -12.273 -4.716 -24.916 566 HA PRO -2 HA PRO -2 -14.685 -8.566 -19.252 567 HB2 PRO -2 2HB PRO -2 -15.549 -9.653 -21.585 568 HB3 PRO -2 3HB PRO -2 -16.508 -9.678 -20.100 569 HG2 PRO -2 2HG PRO -2 -16.703 -7.834 -22.450 570 HG3 PRO -2 3HG PRO -2 -18.002 -8.615 -21.530 571 HD2 PRO -2 2HD PRO -2 -17.292 -6.031 -21.142 572 HD3 PRO -2 3HD PRO -2 -17.904 -7.060 -19.831 573 H ALA -1 H ALA -1 -12.613 -8.778 -19.801 574 HA ALA -1 HA ALA -1 -11.314 -7.100 -21.639 575 HB1 ALA -1 1HB ALA -1 -10.323 -8.352 -19.650 576 HB2 ALA -1 2HB ALA -1 -10.210 -9.741 -20.731 577 HB3 ALA -1 3HB ALA -1 -9.342 -8.253 -21.113 578 HA PRO 0 HA PRO 0 -11.847 -9.053 -25.537 579 HB2 PRO 0 2HB PRO 0 -9.497 -8.425 -26.742 580 HB3 PRO 0 3HB PRO 0 -10.774 -7.238 -26.449 581 HG2 PRO 0 2HG PRO 0 -8.277 -7.761 -24.882 582 HG3 PRO 0 3HG PRO 0 -9.004 -6.211 -25.345 583 HD2 PRO 0 2HD PRO 0 -9.292 -7.275 -22.871 584 HD3 PRO 0 3HD PRO 0 -10.550 -6.283 -23.636 585 H LYS 1 H LYS 1 -10.505 -10.455 -27.159 586 HA LYS 1 HA LYS 1 -8.952 -12.449 -25.647 587 HB2 LYS 1 2HB LYS 1 -11.303 -12.813 -27.441 588 HB3 LYS 1 3HB LYS 1 -10.036 -14.032 -27.492 589 HG2 LYS 1 2HG LYS 1 -11.361 -14.941 -25.891 590 HG3 LYS 1 3HG LYS 1 -10.334 -13.935 -24.867 591 HD2 LYS 1 2HD LYS 1 -12.242 -12.150 -25.449 592 HD3 LYS 1 3HD LYS 1 -13.192 -13.632 -25.585 593 HE2 LYS 1 2HE LYS 1 -11.556 -12.770 -23.200 594 HE3 LYS 1 3HE LYS 1 -13.314 -12.725 -23.328 595 HZ1 LYS 1 3HZ LYS 1 -13.414 -14.830 -22.695 596 HZ2 LYS 1 1HZ LYS 1 -11.742 -14.825 -22.441 597 HZ3 LYS 1 2HZ LYS 1 -12.369 -15.316 -23.933 598 HA PRO 2 HA PRO 2 -5.870 -12.148 -28.757 599 HB2 PRO 2 2HB PRO 2 -4.913 -14.688 -28.809 600 HB3 PRO 2 3HB PRO 2 -4.601 -13.571 -27.475 601 HG2 PRO 2 2HG PRO 2 -6.627 -15.766 -27.673 602 HG3 PRO 2 3HG PRO 2 -5.580 -15.330 -26.310 603 HD2 PRO 2 2HD PRO 2 -8.186 -14.605 -26.435 604 HD3 PRO 2 3HD PRO 2 -6.952 -13.602 -25.645 605 HA PRO 3 HA PRO 3 -7.369 -13.438 -32.686 606 HB2 PRO 3 2HB PRO 3 -5.064 -13.792 -34.076 607 HB3 PRO 3 3HB PRO 3 -5.677 -12.197 -33.622 608 HG2 PRO 3 2HG PRO 3 -3.558 -13.856 -32.311 609 HG3 PRO 3 3HG PRO 3 -3.568 -12.115 -32.645 610 HD2 PRO 3 2HD PRO 3 -4.126 -13.131 -30.198 611 HD3 PRO 3 3HD PRO 3 -4.876 -11.642 -30.807 612 H SER 4 H SER 4 -8.354 -15.405 -32.552 613 HA SER 4 HA SER 4 -6.957 -17.838 -32.056 614 HB2 SER 4 2HB SER 4 -9.758 -17.178 -32.939 615 HB3 SER 4 3HB SER 4 -9.194 -18.847 -32.874 616 HG SER 4 HG SER 4 -10.236 -18.065 -30.925 617 H SER 5 H SER 5 -7.140 -19.723 -33.600 618 HA SER 5 HA SER 5 -6.415 -20.701 -35.525 619 HB2 SER 5 2HB SER 5 -7.672 -20.248 -37.424 620 HB3 SER 5 3HB SER 5 -8.706 -19.581 -36.160 621 HG SER 5 HG SER 5 -8.561 -17.790 -37.235 622 H ALA 6 H ALA 6 -4.722 -18.676 -34.291 623 HA ALA 6 HA ALA 6 -3.484 -17.158 -36.388 624 HB1 ALA 6 1HB ALA 6 -3.358 -17.259 -33.541 625 HB2 ALA 6 2HB ALA 6 -1.723 -17.378 -34.193 626 HB3 ALA 6 3HB ALA 6 -2.752 -16.015 -34.635 Start of MODEL 14 1 H1 MET -4 H MET -4 -0.945 -0.958 0.340 2 HA MET -4 HA MET -4 0.623 0.049 -1.933 3 HB2 MET -4 2HB MET -4 1.314 -0.597 0.912 4 HB3 MET -4 3HB MET -4 2.569 -0.601 -0.320 5 HG2 MET -4 2HG MET -4 2.729 1.539 0.456 6 HG3 MET -4 3HG MET -4 1.613 1.757 -0.891 7 HE1 MET -4 3HE MET -4 -0.267 2.854 -0.874 8 HE2 MET -4 1HE MET -4 -1.281 3.383 0.469 9 HE3 MET -4 2HE MET -4 0.280 4.155 0.185 10 H ALA -3 H ALA -3 -0.542 -1.913 -2.971 11 HA ALA -3 HA ALA -3 0.976 -4.380 -2.469 12 HB1 ALA -3 1HB ALA -3 -1.384 -4.729 -2.310 13 HB2 ALA -3 2HB ALA -3 -1.659 -3.932 -3.859 14 HB3 ALA -3 3HB ALA -3 -0.821 -5.483 -3.802 15 H ILE -2 H ILE -2 2.625 -2.816 -3.673 16 HA ILE -2 HA ILE -2 2.374 -3.218 -6.573 17 HB ILE -2 HB ILE -2 4.253 -1.410 -5.047 18 HG12 ILE -2 2HG1 ILE -2 2.789 0.291 -6.460 19 HG13 ILE -2 3HG1 ILE -2 1.606 -1.009 -6.373 20 HG21 ILE -2 1HG2 ILE -2 5.242 -2.219 -7.123 21 HG22 ILE -2 2HG2 ILE -2 3.811 -1.705 -8.015 22 HG23 ILE -2 3HG2 ILE -2 4.845 -0.504 -7.241 23 HD11 ILE -2 3HD1 ILE -2 1.119 -0.558 -4.253 24 HD12 ILE -2 1HD1 ILE -2 2.817 -0.411 -3.801 25 HD13 ILE -2 2HD1 ILE -2 1.972 0.964 -4.512 26 H VAL -1 H VAL -1 3.560 -4.718 -7.549 27 HA VAL -1 HA VAL -1 5.751 -5.969 -6.045 28 HB VAL -1 HB VAL -1 4.026 -7.524 -6.737 29 HG11 VAL -1 1HG1 VAL -1 3.637 -7.945 -9.163 30 HG12 VAL -1 2HG1 VAL -1 3.067 -6.370 -8.607 31 HG13 VAL -1 3HG1 VAL -1 4.574 -6.493 -9.516 32 HG21 VAL -1 3HG2 VAL -1 6.393 -7.957 -8.545 33 HG22 VAL -1 1HG2 VAL -1 6.472 -8.156 -6.794 34 HG23 VAL -1 2HG2 VAL -1 5.392 -9.172 -7.750 35 H ASN 1 H ASN 1 5.028 -4.127 -8.879 36 HA ASN 1 HA ASN 1 6.332 -3.190 -10.489 37 HB2 ASN 1 2HB ASN 1 8.703 -3.966 -8.785 38 HB3 ASN 1 3HB ASN 1 8.606 -2.655 -9.957 39 HD21 ASN 1 1HD2 ASN 1 7.098 -0.906 -9.471 40 HD22 ASN 1 2HD2 ASN 1 6.850 -0.460 -7.820 41 H GLN 2 H GLN 2 5.506 -5.453 -11.372 42 HA GLN 2 HA GLN 2 7.856 -6.969 -12.292 43 HB2 GLN 2 2HB GLN 2 6.224 -8.293 -11.004 44 HB3 GLN 2 3HB GLN 2 4.969 -7.854 -12.155 45 HG2 GLN 2 2HG GLN 2 6.070 -10.145 -12.387 46 HG3 GLN 2 3HG GLN 2 5.878 -9.166 -13.840 47 HE21 GLN 2 1HE2 GLN 2 7.568 -9.246 -15.115 48 HE22 GLN 2 2HE2 GLN 2 9.218 -9.386 -14.624 49 H ARG 3 H ARG 3 8.378 -6.879 -14.377 50 HA ARG 3 HA ARG 3 6.835 -5.267 -16.178 51 HB2 ARG 3 2HB ARG 3 8.639 -5.445 -17.665 52 HB3 ARG 3 3HB ARG 3 9.389 -5.480 -16.075 53 HG2 ARG 3 2HG ARG 3 9.327 -8.016 -16.280 54 HG3 ARG 3 3HG ARG 3 8.961 -7.750 -17.986 55 HD2 ARG 3 2HD ARG 3 11.264 -6.282 -16.827 56 HD3 ARG 3 3HD ARG 3 11.450 -8.016 -17.082 57 HE ARG 3 HE ARG 3 10.408 -6.668 -19.380 58 HH11 ARG 3 1HH1 ARG 3 13.319 -7.454 -17.638 59 HH12 ARG 3 2HH1 ARG 3 14.340 -7.339 -19.033 60 HH21 ARG 3 1HH2 ARG 3 11.742 -6.514 -21.224 61 HH22 ARG 3 2HH2 ARG 3 13.442 -6.803 -21.072 62 H ALA 4 H ALA 4 6.236 -6.022 -18.367 63 HA ALA 4 HA ALA 4 5.740 -8.853 -18.701 64 HB1 ALA 4 1HB ALA 4 3.766 -7.305 -17.479 65 HB2 ALA 4 2HB ALA 4 3.230 -7.512 -19.147 66 HB3 ALA 4 3HB ALA 4 3.588 -8.925 -18.154 67 H VAL 5 H VAL 5 5.034 -9.404 -20.834 68 HA VAL 5 HA VAL 5 5.618 -7.289 -22.798 69 HB VAL 5 HB VAL 5 7.138 -9.274 -22.788 70 HG11 VAL 5 1HG1 VAL 5 5.235 -10.980 -24.199 71 HG12 VAL 5 2HG1 VAL 5 6.410 -11.385 -22.946 72 HG13 VAL 5 3HG1 VAL 5 4.834 -10.728 -22.501 73 HG21 VAL 5 3HG2 VAL 5 6.763 -7.851 -24.787 74 HG22 VAL 5 1HG2 VAL 5 7.199 -9.513 -25.182 75 HG23 VAL 5 2HG2 VAL 5 5.522 -8.986 -25.319 76 H ALA 6 H ALA 6 4.228 -6.882 -24.464 77 HA ALA 6 HA ALA 6 1.504 -7.729 -24.121 78 HB1 ALA 6 1HB ALA 6 2.868 -5.912 -26.088 79 HB2 ALA 6 2HB ALA 6 1.152 -6.306 -26.194 80 HB3 ALA 6 3HB ALA 6 1.781 -5.482 -24.767 81 H LEU 7 H LEU 7 0.598 -9.465 -24.992 82 HA LEU 7 HA LEU 7 2.018 -10.972 -27.026 83 HB2 LEU 7 2HB LEU 7 -0.641 -11.678 -25.828 84 HB3 LEU 7 3HB LEU 7 0.554 -12.752 -26.551 85 HG LEU 7 HG LEU 7 0.860 -11.313 -23.916 86 HD11 LEU 7 1HD1 LEU 7 0.241 -14.194 -24.549 87 HD12 LEU 7 2HD1 LEU 7 -0.822 -13.034 -23.752 88 HD13 LEU 7 3HD1 LEU 7 0.653 -13.573 -22.950 89 HD21 LEU 7 3HD2 LEU 7 2.764 -12.531 -25.665 90 HD22 LEU 7 1HD2 LEU 7 2.635 -13.485 -24.187 91 HD23 LEU 7 2HD2 LEU 7 3.024 -11.767 -24.096 92 H TYR 8 H TYR 8 -0.922 -9.089 -26.682 93 HA TYR 8 HA TYR 8 -1.188 -9.044 -29.588 94 HB2 TYR 8 2HB TYR 8 -3.659 -9.478 -27.940 95 HB3 TYR 8 3HB TYR 8 -3.416 -9.746 -29.663 96 HD1 TYR 8 HD1 TYR 8 -1.935 -11.689 -30.374 97 HD2 TYR 8 HD2 TYR 8 -3.393 -11.232 -26.404 98 HE1 TYR 8 HE1 TYR 8 -1.497 -14.071 -29.946 99 HE2 TYR 8 HE2 TYR 8 -2.959 -13.613 -25.964 100 HH TYR 8 HH TYR 8 -1.377 -15.666 -28.366 101 H ASP 9 H ASP 9 -2.285 -7.225 -30.395 102 HA ASP 9 HA ASP 9 -2.035 -4.885 -28.793 103 HB2 ASP 9 2HB ASP 9 -3.601 -4.893 -31.343 104 HB3 ASP 9 3HB ASP 9 -2.477 -3.685 -30.725 105 H PHE 10 H PHE 10 -3.547 -3.684 -27.757 106 HA PHE 10 HA PHE 10 -6.367 -4.412 -28.019 107 HB2 PHE 10 2HB PHE 10 -5.897 -5.738 -26.155 108 HB3 PHE 10 3HB PHE 10 -4.731 -4.588 -25.509 109 HD1 PHE 10 HD2 PHE 10 -8.364 -4.971 -26.211 110 HD2 PHE 10 HD1 PHE 10 -5.357 -3.150 -23.811 111 HE1 PHE 10 HE2 PHE 10 -10.104 -4.044 -24.740 112 HE2 PHE 10 HE1 PHE 10 -7.092 -2.220 -22.336 113 HZ PHE 10 HZ PHE 10 -9.470 -2.665 -22.800 114 H GLU 11 H GLU 11 -7.807 -2.760 -27.542 115 HA GLU 11 HA GLU 11 -6.580 -0.134 -27.008 116 HB2 GLU 11 2HB GLU 11 -7.326 -0.220 -29.303 117 HB3 GLU 11 3HB GLU 11 -8.903 -0.824 -28.812 118 HG2 GLU 11 2HG GLU 11 -9.242 1.329 -27.580 119 HG3 GLU 11 3HG GLU 11 -7.761 1.915 -28.336 120 HA PRO 12 HA PRO 12 -9.223 0.057 -23.481 121 HB2 PRO 12 2HB PRO 12 -9.054 2.728 -23.023 122 HB3 PRO 12 3HB PRO 12 -7.740 1.605 -22.654 123 HG2 PRO 12 2HG PRO 12 -8.088 3.399 -25.025 124 HG3 PRO 12 3HG PRO 12 -6.628 3.077 -24.070 125 HD2 PRO 12 2HD PRO 12 -7.095 1.896 -26.462 126 HD3 PRO 12 3HD PRO 12 -6.206 1.088 -25.155 127 H GLU 13 H GLU 13 -11.309 0.669 -22.907 128 HA GLU 13 HA GLU 13 -12.885 1.886 -25.075 129 HB2 GLU 13 2HB GLU 13 -13.569 -0.384 -24.620 130 HB3 GLU 13 3HB GLU 13 -13.694 -0.047 -22.899 131 HG2 GLU 13 2HG GLU 13 -15.883 -0.144 -23.953 132 HG3 GLU 13 3HG GLU 13 -15.550 1.462 -23.306 133 H ASN 14 H ASN 14 -11.767 2.336 -21.902 134 HA ASN 14 HA ASN 14 -13.772 4.445 -21.434 135 HB2 ASN 14 2HB ASN 14 -12.184 2.794 -19.462 136 HB3 ASN 14 3HB ASN 14 -13.124 4.212 -19.007 137 HD21 ASN 14 1HD2 ASN 14 -13.351 1.033 -20.508 138 HD22 ASN 14 2HD2 ASN 14 -14.989 0.734 -20.048 139 H ASP 15 H ASP 15 -12.791 6.153 -19.826 140 HA ASP 15 HA ASP 15 -10.403 7.181 -21.148 141 HB2 ASP 15 2HB ASP 15 -10.939 9.282 -19.907 142 HB3 ASP 15 3HB ASP 15 -12.239 8.733 -20.962 143 H ASN 16 H ASN 16 -10.468 4.974 -19.067 144 HA ASN 16 HA ASN 16 -8.356 6.109 -17.377 145 HB2 ASN 16 2HB ASN 16 -9.348 4.492 -15.556 146 HB3 ASN 16 3HB ASN 16 -10.023 6.104 -15.774 147 HD21 ASN 16 1HD2 ASN 16 -10.651 2.797 -15.728 148 HD22 ASN 16 2HD2 ASN 16 -12.282 2.844 -16.295 149 H GLU 17 H GLU 17 -8.938 4.057 -19.717 150 HA GLU 17 HA GLU 17 -7.383 1.829 -18.595 151 HB2 GLU 17 2HB GLU 17 -9.230 2.033 -20.962 152 HB3 GLU 17 3HB GLU 17 -8.102 0.696 -20.790 153 HG2 GLU 17 2HG GLU 17 -9.231 0.571 -18.387 154 HG3 GLU 17 3HG GLU 17 -10.563 1.314 -19.271 155 H LEU 18 H LEU 18 -5.678 0.901 -19.905 156 HA LEU 18 HA LEU 18 -4.301 2.957 -21.494 157 HB2 LEU 18 2HB LEU 18 -3.115 2.225 -19.494 158 HB3 LEU 18 3HB LEU 18 -3.198 0.553 -20.046 159 HG LEU 18 HG LEU 18 -1.734 1.109 -21.932 160 HD11 LEU 18 1HD1 LEU 18 -1.444 3.200 -22.599 161 HD12 LEU 18 2HD1 LEU 18 -0.705 3.608 -21.051 162 HD13 LEU 18 3HD1 LEU 18 -2.448 3.765 -21.264 163 HD21 LEU 18 3HD2 LEU 18 -1.020 0.728 -19.334 164 HD22 LEU 18 1HD2 LEU 18 -0.161 2.219 -19.723 165 HD23 LEU 18 2HD2 LEU 18 0.104 0.770 -20.693 166 H ARG 19 H ARG 19 -3.087 2.274 -23.366 167 HA ARG 19 HA ARG 19 -4.487 0.176 -24.830 168 HB2 ARG 19 2HB ARG 19 -2.363 1.979 -25.962 169 HB3 ARG 19 3HB ARG 19 -3.673 1.163 -26.806 170 HG2 ARG 19 2HG ARG 19 -4.793 3.072 -26.705 171 HG3 ARG 19 3HG ARG 19 -4.950 2.804 -24.968 172 HD2 ARG 19 2HD ARG 19 -2.680 3.928 -24.748 173 HD3 ARG 19 3HD ARG 19 -2.881 4.425 -26.427 174 HE ARG 19 HE ARG 19 -4.155 5.557 -24.140 175 HH11 ARG 19 1HH1 ARG 19 -4.550 4.903 -27.536 176 HH12 ARG 19 2HH1 ARG 19 -5.670 6.200 -27.789 177 HH21 ARG 19 1HH2 ARG 19 -5.629 7.269 -24.460 178 HH22 ARG 19 2HH2 ARG 19 -6.282 7.546 -26.039 179 H LEU 20 H LEU 20 -3.246 -1.320 -26.194 180 HA LEU 20 HA LEU 20 -0.533 -1.885 -25.264 181 HB2 LEU 20 2HB LEU 20 -2.688 -3.260 -24.248 182 HB3 LEU 20 3HB LEU 20 -2.139 -4.302 -25.559 183 HG LEU 20 HG LEU 20 0.018 -4.546 -24.555 184 HD11 LEU 20 1HD1 LEU 20 0.046 -3.395 -22.103 185 HD12 LEU 20 2HD1 LEU 20 -0.816 -2.175 -23.040 186 HD13 LEU 20 3HD1 LEU 20 0.791 -2.699 -23.542 187 HD21 LEU 20 3HD2 LEU 20 -2.407 -5.049 -22.949 188 HD22 LEU 20 1HD2 LEU 20 -0.866 -5.184 -22.101 189 HD23 LEU 20 2HD2 LEU 20 -1.173 -6.169 -23.531 190 H ALA 21 H ALA 21 0.727 -3.087 -26.718 191 HA ALA 21 HA ALA 21 -0.483 -3.758 -29.299 192 HB1 ALA 21 1HB ALA 21 1.893 -2.683 -30.103 193 HB2 ALA 21 2HB ALA 21 0.333 -1.862 -30.169 194 HB3 ALA 21 3HB ALA 21 1.416 -1.589 -28.804 195 H GLU 22 H GLU 22 0.309 -5.580 -30.190 196 HA GLU 22 HA GLU 22 1.765 -7.420 -28.754 197 HB2 GLU 22 2HB GLU 22 0.420 -7.937 -30.768 198 HB3 GLU 22 3HB GLU 22 1.661 -7.193 -31.767 199 HG2 GLU 22 2HG GLU 22 2.971 -9.086 -30.162 200 HG3 GLU 22 3HG GLU 22 1.505 -9.862 -30.758 201 H GLY 23 H GLY 23 3.809 -7.501 -28.115 202 HA2 GLY 23 2HA GLY 23 6.146 -7.551 -28.518 203 HA3 GLY 23 3HA GLY 23 5.906 -6.476 -29.887 204 H ASP 24 H ASP 24 4.057 -5.163 -27.573 205 HA ASP 24 HA ASP 24 6.047 -3.150 -26.957 206 HB2 ASP 24 2HB ASP 24 3.099 -3.351 -26.318 207 HB3 ASP 24 3HB ASP 24 4.114 -1.988 -25.853 208 H ILE 25 H ILE 25 6.726 -2.557 -24.894 209 HA ILE 25 HA ILE 25 6.502 -4.695 -22.899 210 HB ILE 25 HB ILE 25 8.465 -2.404 -23.053 211 HG12 ILE 25 2HG1 ILE 25 8.500 -4.453 -24.725 212 HG13 ILE 25 3HG1 ILE 25 9.990 -3.834 -24.022 213 HG21 ILE 25 1HG2 ILE 25 9.675 -3.795 -21.312 214 HG22 ILE 25 2HG2 ILE 25 8.224 -2.951 -20.774 215 HG23 ILE 25 3HG2 ILE 25 8.163 -4.680 -21.114 216 HD11 ILE 25 3HD1 ILE 25 8.452 -6.124 -22.840 217 HD12 ILE 25 1HD1 ILE 25 9.731 -6.329 -24.037 218 HD13 ILE 25 2HD1 ILE 25 10.097 -5.609 -22.469 219 H VAL 26 H VAL 26 5.775 -4.342 -20.842 220 HA VAL 26 HA VAL 26 5.010 -1.631 -20.058 221 HB VAL 26 HB VAL 26 2.810 -2.682 -19.171 222 HG11 VAL 26 1HG1 VAL 26 1.745 -2.298 -21.469 223 HG12 VAL 26 2HG1 VAL 26 2.645 -0.962 -20.749 224 HG13 VAL 26 3HG1 VAL 26 3.380 -1.937 -22.022 225 HG21 VAL 26 3HG2 VAL 26 3.484 -4.597 -21.404 226 HG22 VAL 26 1HG2 VAL 26 3.353 -4.996 -19.691 227 HG23 VAL 26 2HG2 VAL 26 1.925 -4.481 -20.589 228 H PHE 27 H PHE 27 4.534 -1.428 -17.771 229 HA PHE 27 HA PHE 27 5.838 -3.537 -16.179 230 HB2 PHE 27 2HB PHE 27 5.768 -0.548 -15.729 231 HB3 PHE 27 3HB PHE 27 6.412 -1.706 -14.571 232 HD1 PHE 27 HD1 PHE 27 8.080 -3.478 -15.873 233 HD2 PHE 27 HD2 PHE 27 7.374 0.597 -16.879 234 HE1 PHE 27 HE1 PHE 27 10.270 -3.377 -16.990 235 HE2 PHE 27 HE2 PHE 27 9.563 0.704 -17.997 236 HZ PHE 27 HZ PHE 27 11.014 -1.285 -18.054 237 H ILE 28 H ILE 28 4.277 -4.697 -15.241 238 HA ILE 28 HA ILE 28 1.726 -3.634 -14.541 239 HB ILE 28 HB ILE 28 2.895 -6.212 -13.509 240 HG12 ILE 28 2HG1 ILE 28 3.211 -6.130 -15.940 241 HG13 ILE 28 3HG1 ILE 28 1.968 -7.300 -15.510 242 HG21 ILE 28 1HG2 ILE 28 0.440 -6.874 -13.735 243 HG22 ILE 28 2HG2 ILE 28 0.863 -5.764 -12.432 244 HG23 ILE 28 3HG2 ILE 28 0.116 -5.149 -13.907 245 HD11 ILE 28 3HD1 ILE 28 0.556 -4.967 -15.921 246 HD12 ILE 28 1HD1 ILE 28 1.802 -4.936 -17.168 247 HD13 ILE 28 2HD1 ILE 28 0.710 -6.316 -17.047 248 H SER 29 H SER 29 1.675 -2.098 -13.003 249 HA SER 29 HA SER 29 3.408 -1.957 -10.783 250 HB2 SER 29 2HB SER 29 0.858 -0.606 -11.566 251 HB3 SER 29 3HB SER 29 1.429 -0.435 -9.906 252 HG SER 29 HG SER 29 2.226 1.217 -11.294 253 H TYR 30 H TYR 30 0.182 -3.323 -11.201 254 HA TYR 30 HA TYR 30 0.508 -5.201 -9.128 255 HB2 TYR 30 2HB TYR 30 -0.930 -4.365 -7.418 256 HB3 TYR 30 3HB TYR 30 0.224 -3.086 -7.777 257 HD1 TYR 30 HD2 TYR 30 -3.277 -4.152 -8.097 258 HD2 TYR 30 HD1 TYR 30 -0.489 -1.011 -8.772 259 HE1 TYR 30 HE2 TYR 30 -5.138 -2.594 -8.494 260 HE2 TYR 30 HE1 TYR 30 -2.342 0.557 -9.170 261 HH TYR 30 HH TYR 30 -4.711 0.780 -8.630 262 H LYS 31 H LYS 31 -1.180 -6.695 -9.044 263 HA LYS 31 HA LYS 31 -2.900 -6.681 -11.366 264 HB2 LYS 31 2HB LYS 31 -1.918 -8.778 -10.907 265 HB3 LYS 31 3HB LYS 31 -2.321 -8.686 -9.198 266 HG2 LYS 31 2HG LYS 31 -4.603 -9.126 -9.612 267 HG3 LYS 31 3HG LYS 31 -4.410 -8.872 -11.348 268 HD2 LYS 31 2HD LYS 31 -3.186 -10.881 -11.602 269 HD3 LYS 31 3HD LYS 31 -2.967 -11.053 -9.859 270 HE2 LYS 31 2HE LYS 31 -5.693 -10.967 -10.106 271 HE3 LYS 31 3HE LYS 31 -5.212 -11.835 -11.563 272 HZ1 LYS 31 3HZ LYS 31 -5.437 -12.856 -9.006 273 HZ2 LYS 31 1HZ LYS 31 -3.776 -12.800 -9.323 274 HZ3 LYS 31 2HZ LYS 31 -4.809 -13.639 -10.367 275 H HIS 32 H HIS 32 -5.141 -6.695 -11.374 276 HA HIS 32 HA HIS 32 -6.491 -6.151 -8.824 277 HB2 HIS 32 2HB HIS 32 -5.961 -4.046 -10.230 278 HB3 HIS 32 3HB HIS 32 -7.219 -4.629 -11.316 279 HD1 HIS 32 HD1 HIS 32 -7.051 -4.274 -7.522 280 HD2 HIS 32 HD2 HIS 32 -9.482 -3.287 -10.743 281 HE1 HIS 32 HE1 HIS 32 -9.048 -3.114 -6.526 282 H GLY 33 H GLY 33 -8.755 -6.633 -8.806 283 HA2 GLY 33 2HA GLY 33 -9.435 -9.023 -10.093 284 HA3 GLY 33 3HA GLY 33 -10.569 -7.956 -9.278 285 H GLN 34 H GLN 34 -11.842 -8.986 -11.161 286 HA GLN 34 HA GLN 34 -13.041 -8.616 -13.058 287 HB2 GLN 34 2HB GLN 34 -11.653 -5.941 -13.218 288 HB3 GLN 34 3HB GLN 34 -13.187 -6.392 -13.949 289 HG2 GLN 34 2HG GLN 34 -12.673 -6.235 -10.988 290 HG3 GLN 34 3HG GLN 34 -13.434 -4.971 -11.953 291 HE21 GLN 34 1HE2 GLN 34 -14.345 -6.779 -9.704 292 HE22 GLN 34 2HE2 GLN 34 -15.837 -7.438 -10.274 293 H GLY 35 H GLY 35 -9.998 -9.355 -12.980 294 HA2 GLY 35 2HA GLY 35 -8.537 -10.191 -14.547 295 HA3 GLY 35 3HA GLY 35 -9.804 -9.974 -15.745 296 H TRP 36 H TRP 36 -8.624 -7.321 -13.811 297 HA TRP 36 HA TRP 36 -7.231 -6.267 -16.185 298 HB2 TRP 36 2HB TRP 36 -9.011 -4.812 -14.226 299 HB3 TRP 36 3HB TRP 36 -7.939 -3.984 -15.352 300 HD1 TRP 36 HD1 TRP 36 -11.329 -5.549 -15.120 301 HE1 TRP 36 HE1 TRP 36 -12.496 -5.452 -17.412 302 HE3 TRP 36 HE3 TRP 36 -7.344 -4.151 -18.002 303 HZ2 TRP 36 HZ2 TRP 36 -11.818 -4.861 -20.087 304 HZ3 TRP 36 HZ3 TRP 36 -7.688 -3.842 -20.419 305 HH2 TRP 36 HH2 TRP 36 -9.879 -4.191 -21.438 306 H LEU 37 H LEU 37 -5.234 -5.439 -15.886 307 HA LEU 37 HA LEU 37 -4.262 -5.194 -13.115 308 HB2 LEU 37 2HB LEU 37 -2.303 -5.879 -15.207 309 HB3 LEU 37 3HB LEU 37 -2.410 -6.417 -13.533 310 HG LEU 37 HG LEU 37 -4.053 -7.479 -15.831 311 HD11 LEU 37 1HD1 LEU 37 -2.428 -8.935 -16.218 312 HD12 LEU 37 2HD1 LEU 37 -2.370 -9.391 -14.516 313 HD13 LEU 37 3HD1 LEU 37 -1.404 -8.035 -15.099 314 HD21 LEU 37 3HD2 LEU 37 -5.448 -8.136 -14.221 315 HD22 LEU 37 1HD2 LEU 37 -4.320 -7.679 -12.945 316 HD23 LEU 37 2HD2 LEU 37 -4.177 -9.254 -13.724 317 H VAL 38 H VAL 38 -3.260 -3.343 -12.609 318 HA VAL 38 HA VAL 38 -3.177 -1.221 -14.543 319 HB VAL 38 HB VAL 38 -2.154 -1.249 -11.701 320 HG11 VAL 38 1HG1 VAL 38 -3.013 1.312 -12.598 321 HG12 VAL 38 2HG1 VAL 38 -1.406 0.807 -12.072 322 HG13 VAL 38 3HG1 VAL 38 -1.866 0.662 -13.768 323 HG21 VAL 38 3HG2 VAL 38 -4.317 0.022 -11.295 324 HG22 VAL 38 1HG2 VAL 38 -4.837 -0.570 -12.873 325 HG23 VAL 38 2HG2 VAL 38 -4.462 -1.712 -11.582 326 H ALA 39 H ALA 39 -1.575 -0.927 -15.932 327 HA ALA 39 HA ALA 39 1.183 -1.377 -15.038 328 HB1 ALA 39 1HB ALA 39 0.693 -2.110 -17.837 329 HB2 ALA 39 2HB ALA 39 1.698 -2.890 -16.615 330 HB3 ALA 39 3HB ALA 39 -0.040 -3.187 -16.648 331 H GLU 40 H GLU 40 2.789 -0.279 -16.389 332 HA GLU 40 HA GLU 40 1.663 2.075 -17.758 333 HB2 GLU 40 2HB GLU 40 3.340 3.463 -16.839 334 HB3 GLU 40 3HB GLU 40 2.737 2.503 -15.496 335 HG2 GLU 40 2HG GLU 40 4.836 1.009 -16.518 336 HG3 GLU 40 3HG GLU 40 5.400 2.677 -16.596 337 H ASN 41 H ASN 41 3.084 3.050 -19.383 338 HA ASN 41 HA ASN 41 4.144 1.066 -21.133 339 HB2 ASN 41 2HB ASN 41 4.291 2.747 -22.718 340 HB3 ASN 41 3HB ASN 41 3.035 3.386 -21.661 341 HD21 ASN 41 1HD2 ASN 41 4.440 4.362 -19.568 342 HD22 ASN 41 2HD2 ASN 41 5.471 5.648 -20.086 343 H GLU 42 H GLU 42 6.366 1.943 -22.279 344 HA GLU 42 HA GLU 42 8.395 1.266 -20.408 345 HB2 GLU 42 2HB GLU 42 8.200 1.132 -23.109 346 HB3 GLU 42 3HB GLU 42 9.214 2.557 -22.935 347 HG2 GLU 42 2HG GLU 42 10.527 0.972 -21.276 348 HG3 GLU 42 3HG GLU 42 9.788 -0.275 -22.279 349 H SER 43 H SER 43 7.322 4.287 -21.870 350 HA SER 43 HA SER 43 9.412 5.948 -21.080 351 HB2 SER 43 2HB SER 43 7.272 6.403 -22.547 352 HB3 SER 43 3HB SER 43 6.596 6.966 -21.018 353 HG SER 43 HG SER 43 7.561 8.702 -22.023 354 H GLY 44 H GLY 44 6.930 4.459 -19.213 355 HA2 GLY 44 2HA GLY 44 6.567 4.410 -16.945 356 HA3 GLY 44 3HA GLY 44 8.117 5.217 -16.757 357 H SER 45 H SER 45 6.016 6.909 -18.793 358 HA SER 45 HA SER 45 5.438 8.807 -16.624 359 HB2 SER 45 2HB SER 45 5.354 9.336 -19.601 360 HB3 SER 45 3HB SER 45 5.312 10.528 -18.302 361 HG SER 45 HG SER 45 7.400 10.281 -19.283 362 H LYS 46 H LYS 46 3.995 6.655 -18.872 363 HA LYS 46 HA LYS 46 1.330 7.720 -18.200 364 HB2 LYS 46 2HB LYS 46 1.110 7.910 -20.433 365 HB3 LYS 46 3HB LYS 46 2.500 6.879 -20.748 366 HG2 LYS 46 2HG LYS 46 1.201 4.918 -20.628 367 HG3 LYS 46 3HG LYS 46 -0.165 5.776 -19.914 368 HD2 LYS 46 2HD LYS 46 0.833 6.581 -22.612 369 HD3 LYS 46 3HD LYS 46 -0.181 5.145 -22.453 370 HE2 LYS 46 2HE LYS 46 -1.948 6.434 -21.463 371 HE3 LYS 46 3HE LYS 46 -0.922 7.865 -21.385 372 HZ1 LYS 46 3HZ LYS 46 -1.740 6.534 -23.909 373 HZ2 LYS 46 1HZ LYS 46 -0.904 7.997 -23.759 374 HZ3 LYS 46 2HZ LYS 46 -2.514 7.887 -23.252 375 H THR 47 H THR 47 0.123 6.447 -16.969 376 HA THR 47 HA THR 47 0.546 3.537 -17.087 377 HB THR 47 HB THR 47 0.002 5.017 -14.513 378 HG1 THR 47 HG1 THR 47 2.308 4.366 -14.148 379 HG21 THR 47 3HG2 THR 47 1.061 2.737 -13.719 380 HG22 THR 47 1HG2 THR 47 0.481 2.178 -15.287 381 HG23 THR 47 2HG2 THR 47 -0.653 2.850 -14.116 382 H GLY 48 H GLY 48 -1.273 2.269 -16.877 383 HA2 GLY 48 2HA GLY 48 -3.808 3.410 -16.099 384 HA3 GLY 48 3HA GLY 48 -3.683 3.072 -17.819 385 H LEU 49 H LEU 49 -5.335 1.519 -17.703 386 HA LEU 49 HA LEU 49 -4.684 -0.916 -16.189 387 HB2 LEU 49 2HB LEU 49 -7.281 0.132 -17.287 388 HB3 LEU 49 3HB LEU 49 -7.094 -1.506 -16.665 389 HG LEU 49 HG LEU 49 -6.335 0.755 -14.888 390 HD11 LEU 49 1HD1 LEU 49 -9.201 -0.085 -15.267 391 HD12 LEU 49 2HD1 LEU 49 -8.511 1.389 -15.946 392 HD13 LEU 49 3HD1 LEU 49 -8.575 1.171 -14.198 393 HD21 LEU 49 3HD2 LEU 49 -7.189 -0.754 -13.183 394 HD22 LEU 49 1HD2 LEU 49 -6.016 -1.580 -14.209 395 HD23 LEU 49 2HD2 LEU 49 -7.741 -1.876 -14.428 396 H VAL 50 H VAL 50 -4.211 -2.759 -17.221 397 HA VAL 50 HA VAL 50 -4.749 -2.924 -20.111 398 HB VAL 50 HB VAL 50 -2.606 -3.965 -20.507 399 HG11 VAL 50 1HG1 VAL 50 -1.282 -2.064 -20.442 400 HG12 VAL 50 2HG1 VAL 50 -2.913 -1.398 -20.335 401 HG13 VAL 50 3HG1 VAL 50 -1.923 -1.547 -18.883 402 HG21 VAL 50 3HG2 VAL 50 -2.387 -5.082 -18.323 403 HG22 VAL 50 1HG2 VAL 50 -0.924 -4.206 -18.776 404 HG23 VAL 50 2HG2 VAL 50 -2.025 -3.525 -17.579 405 HA PRO 51 HA PRO 51 -6.417 -6.911 -19.336 406 HB2 PRO 51 2HB PRO 51 -5.794 -8.198 -21.644 407 HB3 PRO 51 3HB PRO 51 -7.040 -6.948 -21.547 408 HG2 PRO 51 2HG PRO 51 -4.205 -6.729 -22.485 409 HG3 PRO 51 3HG PRO 51 -5.675 -6.034 -23.193 410 HD2 PRO 51 2HD PRO 51 -3.971 -4.589 -21.664 411 HD3 PRO 51 3HD PRO 51 -5.719 -4.282 -21.696 412 H GLU 52 H GLU 52 -5.870 -8.950 -18.617 413 HA GLU 52 HA GLU 52 -3.019 -9.410 -18.203 414 HB2 GLU 52 2HB GLU 52 -4.543 -9.539 -16.270 415 HB3 GLU 52 3HB GLU 52 -5.415 -10.850 -17.052 416 HG2 GLU 52 2HG GLU 52 -3.679 -12.356 -16.756 417 HG3 GLU 52 3HG GLU 52 -2.484 -11.082 -16.522 418 H GLU 53 H GLU 53 -5.749 -10.736 -19.914 419 HA GLU 53 HA GLU 53 -4.378 -13.191 -20.596 420 HB2 GLU 53 2HB GLU 53 -7.062 -12.330 -20.551 421 HB3 GLU 53 3HB GLU 53 -6.688 -12.677 -22.233 422 HG2 GLU 53 2HG GLU 53 -5.703 -14.883 -21.290 423 HG3 GLU 53 3HG GLU 53 -6.695 -14.511 -19.881 424 H PHE 54 H PHE 54 -3.797 -10.200 -21.516 425 HA PHE 54 HA PHE 54 -3.280 -10.934 -24.323 426 HB2 PHE 54 2HB PHE 54 -4.487 -8.533 -23.150 427 HB3 PHE 54 3HB PHE 54 -3.193 -8.185 -24.292 428 HD1 PHE 54 HD1 PHE 54 -5.567 -11.024 -24.403 429 HD2 PHE 54 HD2 PHE 54 -4.389 -7.302 -26.099 430 HE1 PHE 54 HE1 PHE 54 -7.127 -11.385 -26.271 431 HE2 PHE 54 HE2 PHE 54 -5.947 -7.657 -27.969 432 HZ PHE 54 HZ PHE 54 -7.320 -9.700 -28.056 433 H VAL 55 H VAL 55 -1.814 -10.642 -21.468 434 HA VAL 55 HA VAL 55 0.695 -9.692 -22.683 435 HB VAL 55 HB VAL 55 1.329 -8.877 -20.369 436 HG11 VAL 55 1HG1 VAL 55 -0.914 -7.152 -21.083 437 HG12 VAL 55 2HG1 VAL 55 0.818 -6.813 -21.066 438 HG13 VAL 55 3HG1 VAL 55 0.088 -7.611 -22.460 439 HG21 VAL 55 3HG2 VAL 55 -0.334 -9.998 -19.048 440 HG22 VAL 55 1HG2 VAL 55 -0.583 -8.258 -18.902 441 HG23 VAL 55 2HG2 VAL 55 -1.637 -9.216 -19.943 442 H SER 56 H SER 56 2.617 -10.373 -21.236 443 HA SER 56 HA SER 56 2.198 -12.952 -19.938 444 HB2 SER 56 2HB SER 56 2.624 -13.726 -22.140 445 HB3 SER 56 3HB SER 56 3.898 -12.534 -22.396 446 HG SER 56 HG SER 56 4.408 -14.881 -21.790 447 H TYR 57 H TYR 57 3.134 -12.721 -18.026 448 HA TYR 57 HA TYR 57 4.918 -10.763 -17.259 449 HB2 TYR 57 2HB TYR 57 4.083 -13.383 -16.148 450 HB3 TYR 57 3HB TYR 57 5.569 -12.695 -15.501 451 HD1 TYR 57 HD1 TYR 57 2.492 -10.925 -16.618 452 HD2 TYR 57 HD2 TYR 57 4.974 -12.026 -13.343 453 HE1 TYR 57 HE1 TYR 57 1.169 -9.475 -15.136 454 HE2 TYR 57 HE2 TYR 57 3.658 -10.580 -11.851 455 HH TYR 57 HH TYR 57 2.172 -8.746 -11.906 456 H ILE 58 H ILE 58 7.090 -10.510 -17.256 457 HA ILE 58 HA ILE 58 8.651 -12.524 -18.720 458 HB ILE 58 HB ILE 58 9.460 -9.672 -18.170 459 HG12 ILE 58 2HG1 ILE 58 8.134 -10.802 -20.645 460 HG13 ILE 58 3HG1 ILE 58 7.363 -9.736 -19.475 461 HG21 ILE 58 1HG2 ILE 58 10.470 -11.789 -20.060 462 HG22 ILE 58 2HG2 ILE 58 10.956 -10.095 -20.126 463 HG23 ILE 58 3HG2 ILE 58 11.327 -11.064 -18.700 464 HD11 ILE 58 3HD1 ILE 58 9.048 -9.098 -21.720 465 HD12 ILE 58 1HD1 ILE 58 8.022 -8.048 -20.743 466 HD13 ILE 58 2HD1 ILE 58 9.673 -8.397 -20.228 467 H GLN 59 H GLN 59 10.751 -13.096 -17.993 468 HA GLN 59 HA GLN 59 11.314 -12.472 -15.175 469 HB2 GLN 59 2HB GLN 59 10.819 -15.092 -16.415 470 HB3 GLN 59 3HB GLN 59 12.268 -15.022 -15.420 471 HG2 GLN 59 2HG GLN 59 11.107 -14.889 -13.511 472 HG3 GLN 59 3HG GLN 59 9.891 -13.818 -14.203 473 HE21 GLN 59 1HE2 GLN 59 8.787 -15.196 -16.178 474 HE22 GLN 59 2HE2 GLN 59 8.065 -16.658 -15.608 475 HA PRO 60 HA PRO 60 15.475 -11.750 -16.357 476 HB2 PRO 60 2HB PRO 60 16.871 -12.776 -14.266 477 HB3 PRO 60 3HB PRO 60 15.925 -11.287 -14.152 478 HG2 PRO 60 2HG PRO 60 15.204 -14.060 -13.286 479 HG3 PRO 60 3HG PRO 60 14.945 -12.522 -12.443 480 HD2 PRO 60 2HD PRO 60 12.979 -13.779 -13.816 481 HD3 PRO 60 3HD PRO 60 13.073 -12.011 -13.686 482 H GLU 61 H GLU 61 15.136 -15.023 -14.969 483 HA GLU 61 HA GLU 61 16.359 -16.167 -17.338 484 HB2 GLU 61 2HB GLU 61 18.182 -17.222 -16.264 485 HB3 GLU 61 3HB GLU 61 18.229 -15.546 -15.737 486 HG2 GLU 61 2HG GLU 61 16.999 -16.281 -13.668 487 HG3 GLU 61 3HG GLU 61 17.292 -17.940 -14.186 488 H LEU 62 H LEU 62 13.810 -16.211 -15.703 489 HA LEU 62 HA LEU 62 13.681 -19.111 -15.209 490 HB2 LEU 62 2HB LEU 62 11.616 -17.180 -14.240 491 HB3 LEU 62 3HB LEU 62 12.048 -18.765 -13.601 492 HG LEU 62 HG LEU 62 13.754 -16.288 -13.359 493 HD11 LEU 62 1HD1 LEU 62 13.046 -16.754 -10.862 494 HD12 LEU 62 2HD1 LEU 62 11.622 -17.443 -11.641 495 HD13 LEU 62 3HD1 LEU 62 12.057 -15.758 -11.931 496 HD21 LEU 62 3HD2 LEU 62 14.810 -18.634 -13.350 497 HD22 LEU 62 1HD2 LEU 62 14.016 -18.826 -11.787 498 HD23 LEU 62 2HD2 LEU 62 15.196 -17.537 -12.023 499 H GLU 63 H GLU 63 11.410 -20.017 -15.581 500 HA GLU 63 HA GLU 63 10.427 -18.997 -18.162 501 HB2 GLU 63 2HB GLU 63 11.464 -21.359 -17.947 502 HB3 GLU 63 3HB GLU 63 9.956 -21.787 -17.150 503 HG2 GLU 63 2HG GLU 63 8.700 -21.477 -19.069 504 HG3 GLU 63 3HG GLU 63 9.924 -20.459 -19.825 505 H1 GLY -9 H GLY -9 -4.085 1.886 -6.597 506 HA2 GLY -9 2HA GLY -9 -4.125 4.133 -7.278 507 HA3 GLY -9 3HA GLY -9 -4.346 3.294 -8.806 508 H LYS -8 H LYS -8 -5.476 5.151 -9.578 509 HA LYS -8 HA LYS -8 -8.196 5.425 -8.477 510 HB2 LYS -8 2HB LYS -8 -8.156 7.677 -9.658 511 HB3 LYS -8 3HB LYS -8 -7.129 7.520 -8.239 512 HG2 LYS -8 2HG LYS -8 -5.911 6.918 -10.870 513 HG3 LYS -8 3HG LYS -8 -6.279 8.605 -10.504 514 HD2 LYS -8 2HD LYS -8 -4.914 7.039 -8.393 515 HD3 LYS -8 3HD LYS -8 -3.968 7.442 -9.828 516 HE2 LYS -8 2HE LYS -8 -4.480 9.801 -9.520 517 HE3 LYS -8 3HE LYS -8 -5.482 9.417 -8.122 518 HZ1 LYS -8 3HZ LYS -8 -2.651 9.735 -8.285 519 HZ2 LYS -8 1HZ LYS -8 -3.067 8.253 -7.582 520 HZ3 LYS -8 2HZ LYS -8 -3.651 9.697 -6.921 521 H PHE -7 H PHE -7 -7.355 3.404 -10.366 522 HA PHE -7 HA PHE -7 -9.059 4.179 -12.637 523 HB2 PHE -7 2HB PHE -7 -6.637 2.382 -12.837 524 HB3 PHE -7 3HB PHE -7 -7.647 2.951 -14.162 525 HD1 PHE -7 HD2 PHE -7 -7.936 5.799 -13.495 526 HD2 PHE -7 HD1 PHE -7 -4.536 3.247 -13.286 527 HE1 PHE -7 HE2 PHE -7 -6.461 7.747 -13.783 528 HE2 PHE -7 HE1 PHE -7 -3.055 5.191 -13.573 529 HZ PHE -7 HZ PHE -7 -4.017 7.445 -13.823 530 H ILE -6 H ILE -6 -10.857 3.018 -12.561 531 HA ILE -6 HA ILE -6 -10.663 0.177 -11.805 532 HB ILE -6 HB ILE -6 -12.939 2.052 -11.150 533 HG12 ILE -6 2HG1 ILE -6 -11.135 0.612 -9.210 534 HG13 ILE -6 3HG1 ILE -6 -10.766 2.227 -9.804 535 HG21 ILE -6 1HG2 ILE -6 -13.777 -0.153 -11.627 536 HG22 ILE -6 2HG2 ILE -6 -12.557 -0.884 -10.587 537 HG23 ILE -6 3HG2 ILE -6 -13.830 0.115 -9.885 538 HD11 ILE -6 3HD1 ILE -6 -12.553 3.180 -8.696 539 HD12 ILE -6 1HD1 ILE -6 -13.415 1.648 -8.556 540 HD13 ILE -6 2HD1 ILE -6 -11.994 1.956 -7.557 541 HA PRO -5 HA PRO -5 -12.414 -0.394 -15.847 542 HB2 PRO -5 2HB PRO -5 -12.740 -3.082 -15.656 543 HB3 PRO -5 3HB PRO -5 -11.168 -2.322 -15.937 544 HG2 PRO -5 2HG PRO -5 -12.344 -3.356 -13.385 545 HG3 PRO -5 3HG PRO -5 -10.694 -3.535 -14.010 546 HD2 PRO -5 2HD PRO -5 -11.345 -1.712 -12.117 547 HD3 PRO -5 3HD PRO -5 -10.068 -1.428 -13.317 548 H SER -4 H SER -4 -14.409 -1.107 -16.793 549 HA SER -4 HA SER -4 -16.585 -1.653 -14.901 550 HB2 SER -4 2HB SER -4 -16.421 0.826 -15.519 551 HB3 SER -4 3HB SER -4 -16.906 0.341 -17.144 552 HG SER -4 HG SER -4 -18.602 0.982 -15.529 553 H ARG -3 H ARG -3 -15.232 -3.452 -16.624 554 HA ARG -3 HA ARG -3 -17.395 -4.742 -17.851 555 HB2 ARG -3 2HB ARG -3 -16.681 -4.526 -20.238 556 HB3 ARG -3 3HB ARG -3 -17.332 -3.046 -19.546 557 HG2 ARG -3 2HG ARG -3 -14.912 -2.385 -19.103 558 HG3 ARG -3 3HG ARG -3 -14.480 -3.712 -20.182 559 HD2 ARG -3 2HD ARG -3 -16.535 -2.179 -21.415 560 HD3 ARG -3 3HD ARG -3 -15.281 -1.075 -20.852 561 HE ARG -3 HE ARG -3 -13.856 -1.930 -22.434 562 HH11 ARG -3 1HH1 ARG -3 -16.636 -4.003 -22.135 563 HH12 ARG -3 2HH1 ARG -3 -16.233 -4.963 -23.520 564 HH21 ARG -3 1HH2 ARG -3 -13.313 -3.186 -24.259 565 HH22 ARG -3 2HH2 ARG -3 -14.342 -4.498 -24.727 566 HA PRO -2 HA PRO -2 -14.561 -8.087 -17.653 567 HB2 PRO -2 2HB PRO -2 -15.548 -9.738 -19.570 568 HB3 PRO -2 3HB PRO -2 -16.355 -9.476 -18.019 569 HG2 PRO -2 2HG PRO -2 -16.931 -8.244 -20.686 570 HG3 PRO -2 3HG PRO -2 -18.065 -8.868 -19.473 571 HD2 PRO -2 2HD PRO -2 -17.545 -6.226 -19.758 572 HD3 PRO -2 3HD PRO -2 -17.939 -6.958 -18.190 573 H ALA -1 H ALA -1 -12.554 -8.379 -18.392 574 HA ALA -1 HA ALA -1 -11.482 -7.034 -20.573 575 HB1 ALA -1 1HB ALA -1 -10.488 -9.460 -19.093 576 HB2 ALA -1 2HB ALA -1 -9.543 -8.610 -20.316 577 HB3 ALA -1 3HB ALA -1 -10.032 -7.775 -18.842 578 HA PRO 0 HA PRO 0 -12.456 -9.392 -24.146 579 HB2 PRO 0 2HB PRO 0 -10.213 -9.044 -25.635 580 HB3 PRO 0 3HB PRO 0 -11.397 -7.759 -25.366 581 HG2 PRO 0 2HG PRO 0 -8.782 -8.244 -23.991 582 HG3 PRO 0 3HG PRO 0 -9.478 -6.718 -24.565 583 HD2 PRO 0 2HD PRO 0 -9.565 -7.473 -21.966 584 HD3 PRO 0 3HD PRO 0 -10.846 -6.503 -22.722 585 H LYS 1 H LYS 1 -11.056 -10.914 -25.794 586 HA LYS 1 HA LYS 1 -9.577 -12.861 -24.166 587 HB2 LYS 1 2HB LYS 1 -12.188 -13.227 -25.254 588 HB3 LYS 1 3HB LYS 1 -11.080 -14.276 -26.129 589 HG2 LYS 1 2HG LYS 1 -10.629 -15.559 -24.303 590 HG3 LYS 1 3HG LYS 1 -10.908 -14.238 -23.167 591 HD2 LYS 1 2HD LYS 1 -13.282 -14.430 -23.430 592 HD3 LYS 1 3HD LYS 1 -13.092 -15.588 -24.748 593 HE2 LYS 1 2HE LYS 1 -12.338 -16.005 -21.857 594 HE3 LYS 1 3HE LYS 1 -13.695 -16.743 -22.706 595 HZ1 LYS 1 3HZ LYS 1 -12.234 -18.411 -22.977 596 HZ2 LYS 1 1HZ LYS 1 -10.875 -17.423 -22.778 597 HZ3 LYS 1 2HZ LYS 1 -11.671 -17.476 -24.269 598 HA PRO 2 HA PRO 2 -6.705 -12.881 -27.493 599 HB2 PRO 2 2HB PRO 2 -5.637 -15.358 -27.187 600 HB3 PRO 2 3HB PRO 2 -5.291 -14.020 -26.085 601 HG2 PRO 2 2HG PRO 2 -7.222 -16.285 -25.766 602 HG3 PRO 2 3HG PRO 2 -6.108 -15.588 -24.574 603 HD2 PRO 2 2HD PRO 2 -8.748 -14.985 -24.630 604 HD3 PRO 2 3HD PRO 2 -7.513 -13.820 -24.111 605 HA PRO 3 HA PRO 3 -8.399 -14.871 -31.030 606 HB2 PRO 3 2HB PRO 3 -6.177 -15.371 -32.507 607 HB3 PRO 3 3HB PRO 3 -6.835 -13.746 -32.282 608 HG2 PRO 3 2HG PRO 3 -4.556 -15.079 -30.872 609 HG3 PRO 3 3HG PRO 3 -4.673 -13.422 -31.490 610 HD2 PRO 3 2HD PRO 3 -5.017 -14.028 -28.874 611 HD3 PRO 3 3HD PRO 3 -5.877 -12.692 -29.665 612 H SER 4 H SER 4 -7.914 -16.847 -32.552 613 HA SER 4 HA SER 4 -8.037 -19.117 -32.722 614 HB2 SER 4 2HB SER 4 -5.787 -19.381 -30.765 615 HB3 SER 4 3HB SER 4 -6.052 -20.233 -32.286 616 HG SER 4 HG SER 4 -5.046 -18.695 -33.320 617 H SER 5 H SER 5 -9.959 -18.342 -31.096 618 HA SER 5 HA SER 5 -9.897 -19.326 -28.455 619 HB2 SER 5 2HB SER 5 -12.019 -18.443 -30.350 620 HB3 SER 5 3HB SER 5 -12.521 -19.400 -28.956 621 HG SER 5 HG SER 5 -11.390 -16.845 -29.058 622 H ALA 6 H ALA 6 -10.032 -21.321 -27.671 623 HA ALA 6 HA ALA 6 -10.290 -23.558 -29.470 624 HB1 ALA 6 1HB ALA 6 -8.805 -24.254 -27.944 625 HB2 ALA 6 2HB ALA 6 -9.389 -23.128 -26.718 626 HB3 ALA 6 3HB ALA 6 -10.225 -24.659 -26.979 Start of MODEL 15 1 H1 MET -4 H MET -4 4.265 -2.203 0.183 2 HA MET -4 HA MET -4 1.766 -1.577 0.599 3 HB2 MET -4 2HB MET -4 3.576 -0.501 -1.530 4 HB3 MET -4 3HB MET -4 1.937 0.121 -1.391 5 HG2 MET -4 2HG MET -4 3.008 1.607 -0.059 6 HG3 MET -4 3HG MET -4 2.627 0.375 1.142 7 HE1 MET -4 3HE MET -4 6.072 1.616 2.361 8 HE2 MET -4 1HE MET -4 5.286 2.706 1.219 9 HE3 MET -4 2HE MET -4 4.326 1.854 2.428 10 H ALA -3 H ALA -3 1.903 -4.171 -0.831 11 HA ALA -3 HA ALA -3 0.609 -5.434 -2.214 12 HB1 ALA -3 1HB ALA -3 -1.149 -4.151 -0.879 13 HB2 ALA -3 2HB ALA -3 -1.342 -3.155 -2.322 14 HB3 ALA -3 3HB ALA -3 -1.661 -4.888 -2.397 15 H ILE -2 H ILE -2 2.637 -3.846 -3.414 16 HA ILE -2 HA ILE -2 1.479 -3.534 -6.098 17 HB ILE -2 HB ILE -2 3.467 -1.658 -4.815 18 HG12 ILE -2 2HG1 ILE -2 0.775 -0.978 -5.986 19 HG13 ILE -2 3HG1 ILE -2 0.960 -1.450 -4.300 20 HG21 ILE -2 1HG2 ILE -2 2.425 -1.756 -7.642 21 HG22 ILE -2 2HG2 ILE -2 3.368 -0.432 -6.959 22 HG23 ILE -2 3HG2 ILE -2 4.085 -2.036 -7.117 23 HD11 ILE -2 3HD1 ILE -2 2.801 0.459 -4.379 24 HD12 ILE -2 1HD1 ILE -2 1.757 1.041 -5.676 25 HD13 ILE -2 2HD1 ILE -2 1.100 0.792 -4.058 26 H VAL -1 H VAL -1 2.428 -4.882 -7.462 27 HA VAL -1 HA VAL -1 5.182 -5.759 -6.904 28 HB VAL -1 HB VAL -1 3.149 -7.127 -8.667 29 HG11 VAL -1 1HG1 VAL -1 5.319 -7.771 -9.333 30 HG12 VAL -1 2HG1 VAL -1 5.879 -7.891 -7.664 31 HG13 VAL -1 3HG1 VAL -1 4.732 -9.072 -8.298 32 HG21 VAL -1 3HG2 VAL -1 3.357 -7.050 -5.802 33 HG22 VAL -1 1HG2 VAL -1 2.161 -7.858 -6.815 34 HG23 VAL -1 2HG2 VAL -1 3.662 -8.683 -6.392 35 H ASN 1 H ASN 1 6.766 -5.252 -8.277 36 HA ASN 1 HA ASN 1 6.093 -3.749 -10.680 37 HB2 ASN 1 2HB ASN 1 8.629 -4.175 -9.117 38 HB3 ASN 1 3HB ASN 1 8.666 -3.481 -10.736 39 HD21 ASN 1 1HD2 ASN 1 6.576 -3.096 -7.892 40 HD22 ASN 1 2HD2 ASN 1 6.687 -1.373 -7.834 41 H GLN 2 H GLN 2 5.244 -6.052 -11.355 42 HA GLN 2 HA GLN 2 7.386 -7.647 -12.547 43 HB2 GLN 2 2HB GLN 2 5.626 -8.813 -11.270 44 HB3 GLN 2 3HB GLN 2 4.417 -8.196 -12.388 45 HG2 GLN 2 2HG GLN 2 5.220 -10.584 -12.721 46 HG3 GLN 2 3HG GLN 2 5.173 -9.535 -14.137 47 HE21 GLN 2 1HE2 GLN 2 6.860 -9.746 -15.401 48 HE22 GLN 2 2HE2 GLN 2 8.470 -10.135 -14.908 49 H ARG 3 H ARG 3 7.882 -7.537 -14.637 50 HA ARG 3 HA ARG 3 6.440 -5.722 -16.350 51 HB2 ARG 3 2HB ARG 3 8.221 -6.001 -17.896 52 HB3 ARG 3 3HB ARG 3 8.955 -5.973 -16.299 53 HG2 ARG 3 2HG ARG 3 8.534 -8.636 -16.651 54 HG3 ARG 3 3HG ARG 3 8.873 -8.105 -18.300 55 HD2 ARG 3 2HD ARG 3 10.996 -8.539 -17.550 56 HD3 ARG 3 3HD ARG 3 10.852 -6.829 -17.147 57 HE ARG 3 HE ARG 3 9.977 -8.306 -14.948 58 HH11 ARG 3 1HH1 ARG 3 12.910 -7.724 -16.730 59 HH12 ARG 3 2HH1 ARG 3 13.945 -7.979 -15.364 60 HH21 ARG 3 1HH2 ARG 3 11.329 -8.645 -13.143 61 HH22 ARG 3 2HH2 ARG 3 13.044 -8.504 -13.324 62 H ALA 4 H ALA 4 5.799 -6.349 -18.565 63 HA ALA 4 HA ALA 4 5.187 -9.135 -19.036 64 HB1 ALA 4 1HB ALA 4 3.110 -9.122 -18.260 65 HB2 ALA 4 2HB ALA 4 3.237 -7.412 -17.845 66 HB3 ALA 4 3HB ALA 4 2.701 -7.890 -19.455 67 H VAL 5 H VAL 5 4.595 -9.575 -21.188 68 HA VAL 5 HA VAL 5 5.166 -7.364 -23.042 69 HB VAL 5 HB VAL 5 6.644 -9.392 -23.119 70 HG11 VAL 5 1HG1 VAL 5 4.339 -10.814 -22.922 71 HG12 VAL 5 2HG1 VAL 5 4.664 -10.921 -24.653 72 HG13 VAL 5 3HG1 VAL 5 5.873 -11.469 -23.492 73 HG21 VAL 5 3HG2 VAL 5 6.502 -9.616 -25.622 74 HG22 VAL 5 1HG2 VAL 5 5.057 -8.607 -25.554 75 HG23 VAL 5 2HG2 VAL 5 6.609 -7.963 -25.018 76 H ALA 6 H ALA 6 3.752 -6.795 -24.617 77 HA ALA 6 HA ALA 6 1.031 -7.687 -24.348 78 HB1 ALA 6 1HB ALA 6 2.433 -5.581 -25.919 79 HB2 ALA 6 2HB ALA 6 0.820 -6.089 -26.423 80 HB3 ALA 6 3HB ALA 6 1.074 -5.442 -24.802 81 H LEU 7 H LEU 7 0.018 -9.200 -25.501 82 HA LEU 7 HA LEU 7 1.479 -10.525 -27.651 83 HB2 LEU 7 2HB LEU 7 -1.184 -11.389 -26.587 84 HB3 LEU 7 3HB LEU 7 0.078 -12.363 -27.338 85 HG LEU 7 HG LEU 7 0.241 -11.135 -24.587 86 HD11 LEU 7 1HD1 LEU 7 -1.449 -12.903 -24.717 87 HD12 LEU 7 2HD1 LEU 7 -0.055 -13.400 -23.758 88 HD13 LEU 7 3HD1 LEU 7 -0.248 -13.995 -25.407 89 HD21 LEU 7 3HD2 LEU 7 2.192 -12.356 -26.351 90 HD22 LEU 7 1HD2 LEU 7 2.059 -13.209 -24.813 91 HD23 LEU 7 2HD2 LEU 7 2.427 -11.484 -24.835 92 H TYR 8 H TYR 8 -1.398 -8.619 -27.098 93 HA TYR 8 HA TYR 8 -1.719 -8.328 -29.985 94 HB2 TYR 8 2HB TYR 8 -4.181 -8.783 -28.334 95 HB3 TYR 8 3HB TYR 8 -3.963 -8.955 -30.072 96 HD1 TYR 8 HD2 TYR 8 -2.525 -10.901 -30.900 97 HD2 TYR 8 HD1 TYR 8 -4.015 -10.643 -26.923 98 HE1 TYR 8 HE2 TYR 8 -2.181 -13.320 -30.621 99 HE2 TYR 8 HE1 TYR 8 -3.674 -13.062 -26.633 100 HH TYR 8 HH TYR 8 -1.807 -14.856 -28.187 101 H ASP 9 H ASP 9 -2.285 -6.311 -30.591 102 HA ASP 9 HA ASP 9 -2.089 -4.182 -28.783 103 HB2 ASP 9 2HB ASP 9 -1.589 -3.604 -30.981 104 HB3 ASP 9 3HB ASP 9 -3.009 -4.423 -31.625 105 H PHE 10 H PHE 10 -3.636 -2.719 -27.989 106 HA PHE 10 HA PHE 10 -6.452 -3.388 -28.256 107 HB2 PHE 10 2HB PHE 10 -6.046 -4.760 -26.395 108 HB3 PHE 10 3HB PHE 10 -4.912 -3.616 -25.685 109 HD1 PHE 10 HD1 PHE 10 -8.506 -4.003 -26.556 110 HD2 PHE 10 HD2 PHE 10 -5.619 -2.172 -24.021 111 HE1 PHE 10 HE1 PHE 10 -10.315 -3.082 -25.167 112 HE2 PHE 10 HE2 PHE 10 -7.424 -1.249 -22.627 113 HZ PHE 10 HZ PHE 10 -9.775 -1.704 -23.198 114 H GLU 11 H GLU 11 -7.844 -1.688 -27.753 115 HA GLU 11 HA GLU 11 -6.511 0.890 -27.242 116 HB2 GLU 11 2HB GLU 11 -7.590 0.421 -29.552 117 HB3 GLU 11 3HB GLU 11 -9.118 0.633 -28.711 118 HG2 GLU 11 2HG GLU 11 -6.973 2.708 -28.535 119 HG3 GLU 11 3HG GLU 11 -8.068 2.646 -29.915 120 HA PRO 12 HA PRO 12 -9.009 1.132 -23.606 121 HB2 PRO 12 2HB PRO 12 -8.635 3.770 -23.087 122 HB3 PRO 12 3HB PRO 12 -7.394 2.547 -22.789 123 HG2 PRO 12 2HG PRO 12 -7.684 4.426 -25.101 124 HG3 PRO 12 3HG PRO 12 -6.224 3.975 -24.202 125 HD2 PRO 12 2HD PRO 12 -6.845 2.896 -26.607 126 HD3 PRO 12 3HD PRO 12 -5.977 1.991 -25.350 127 H GLU 13 H GLU 13 -11.095 1.610 -23.124 128 HA GLU 13 HA GLU 13 -12.605 3.124 -25.135 129 HB2 GLU 13 2HB GLU 13 -13.269 0.870 -23.301 130 HB3 GLU 13 3HB GLU 13 -14.557 1.984 -23.740 131 HG2 GLU 13 2HG GLU 13 -14.697 0.235 -25.284 132 HG3 GLU 13 3HG GLU 13 -13.916 1.556 -26.151 133 H ASN 14 H ASN 14 -11.540 3.206 -21.882 134 HA ASN 14 HA ASN 14 -13.401 5.407 -21.277 135 HB2 ASN 14 2HB ASN 14 -12.060 3.354 -19.555 136 HB3 ASN 14 3HB ASN 14 -12.502 4.910 -18.858 137 HD21 ASN 14 1HD2 ASN 14 -13.520 1.830 -19.379 138 HD22 ASN 14 2HD2 ASN 14 -15.225 2.060 -19.225 139 H ASP 15 H ASP 15 -12.342 6.945 -19.557 140 HA ASP 15 HA ASP 15 -9.899 7.942 -20.799 141 HB2 ASP 15 2HB ASP 15 -11.400 9.324 -18.590 142 HB3 ASP 15 3HB ASP 15 -10.396 10.032 -19.852 143 H ASN 16 H ASN 16 -10.118 5.611 -18.848 144 HA ASN 16 HA ASN 16 -7.951 6.517 -17.088 145 HB2 ASN 16 2HB ASN 16 -9.054 4.812 -15.398 146 HB3 ASN 16 3HB ASN 16 -9.603 6.484 -15.479 147 HD21 ASN 16 1HD2 ASN 16 -10.499 3.257 -15.655 148 HD22 ASN 16 2HD2 ASN 16 -12.112 3.470 -16.236 149 H GLU 17 H GLU 17 -8.568 4.691 -19.575 150 HA GLU 17 HA GLU 17 -7.248 2.259 -18.600 151 HB2 GLU 17 2HB GLU 17 -8.941 2.892 -20.985 152 HB3 GLU 17 3HB GLU 17 -7.817 1.543 -21.065 153 HG2 GLU 17 2HG GLU 17 -9.580 1.666 -18.698 154 HG3 GLU 17 3HG GLU 17 -10.339 1.294 -20.245 155 H LEU 18 H LEU 18 -5.600 1.284 -20.068 156 HA LEU 18 HA LEU 18 -3.904 3.391 -21.237 157 HB2 LEU 18 2HB LEU 18 -2.814 2.543 -19.318 158 HB3 LEU 18 3HB LEU 18 -3.194 0.878 -19.751 159 HG LEU 18 HG LEU 18 -1.587 0.934 -21.553 160 HD11 LEU 18 1HD1 LEU 18 -1.069 2.845 -22.546 161 HD12 LEU 18 2HD1 LEU 18 -0.185 3.334 -21.101 162 HD13 LEU 18 3HD1 LEU 18 -1.886 3.762 -21.280 163 HD21 LEU 18 3HD2 LEU 18 0.123 0.510 -20.179 164 HD22 LEU 18 1HD2 LEU 18 -0.983 0.948 -18.877 165 HD23 LEU 18 2HD2 LEU 18 0.127 2.152 -19.531 166 H ARG 19 H ARG 19 -2.985 3.061 -23.224 167 HA ARG 19 HA ARG 19 -4.266 1.152 -24.931 168 HB2 ARG 19 2HB ARG 19 -1.853 2.758 -25.718 169 HB3 ARG 19 3HB ARG 19 -3.208 2.242 -26.713 170 HG2 ARG 19 2HG ARG 19 -4.658 3.808 -25.426 171 HG3 ARG 19 3HG ARG 19 -3.204 4.402 -24.620 172 HD2 ARG 19 2HD ARG 19 -3.531 4.373 -27.611 173 HD3 ARG 19 3HD ARG 19 -4.004 5.743 -26.607 174 HE ARG 19 HE ARG 19 -1.435 5.295 -25.882 175 HH11 ARG 19 1HH1 ARG 19 -3.018 5.763 -28.947 176 HH12 ARG 19 2HH1 ARG 19 -1.638 6.494 -29.697 177 HH21 ARG 19 1HH2 ARG 19 0.390 6.256 -26.857 178 HH22 ARG 19 2HH2 ARG 19 0.300 6.774 -28.507 179 H LEU 20 H LEU 20 -3.189 -0.445 -26.227 180 HA LEU 20 HA LEU 20 -0.591 -1.361 -25.242 181 HB2 LEU 20 2HB LEU 20 -2.933 -2.520 -24.385 182 HB3 LEU 20 3HB LEU 20 -2.453 -3.552 -25.730 183 HG LEU 20 HG LEU 20 -0.384 -4.099 -24.661 184 HD11 LEU 20 1HD1 LEU 20 -1.010 -1.732 -23.040 185 HD12 LEU 20 2HD1 LEU 20 0.548 -2.407 -23.518 186 HD13 LEU 20 3HD1 LEU 20 -0.327 -3.093 -22.149 187 HD21 LEU 20 3HD2 LEU 20 -1.471 -5.645 -23.502 188 HD22 LEU 20 1HD2 LEU 20 -2.927 -4.650 -23.529 189 HD23 LEU 20 2HD2 LEU 20 -1.766 -4.480 -22.211 190 H ALA 21 H ALA 21 0.579 -2.643 -26.708 191 HA ALA 21 HA ALA 21 -0.584 -3.021 -29.370 192 HB1 ALA 21 1HB ALA 21 1.444 -2.095 -30.431 193 HB2 ALA 21 2HB ALA 21 0.537 -0.889 -29.517 194 HB3 ALA 21 3HB ALA 21 2.012 -1.581 -28.841 195 H GLU 22 H GLU 22 0.141 -4.806 -30.443 196 HA GLU 22 HA GLU 22 1.225 -6.931 -29.037 197 HB2 GLU 22 2HB GLU 22 -0.008 -7.264 -31.097 198 HB3 GLU 22 3HB GLU 22 1.229 -6.417 -32.014 199 HG2 GLU 22 2HG GLU 22 2.544 -8.488 -30.654 200 HG3 GLU 22 3HG GLU 22 1.066 -9.184 -31.315 201 H GLY 23 H GLY 23 3.189 -7.260 -28.246 202 HA2 GLY 23 2HA GLY 23 5.521 -7.559 -28.435 203 HA3 GLY 23 3HA GLY 23 5.523 -6.485 -29.826 204 H ASP 24 H ASP 24 3.668 -5.003 -27.566 205 HA ASP 24 HA ASP 24 5.712 -3.081 -26.961 206 HB2 ASP 24 2HB ASP 24 3.213 -2.628 -27.368 207 HB3 ASP 24 3HB ASP 24 2.975 -3.164 -25.707 208 H ILE 25 H ILE 25 6.219 -2.363 -24.771 209 HA ILE 25 HA ILE 25 6.307 -4.635 -22.899 210 HB ILE 25 HB ILE 25 8.187 -2.280 -23.109 211 HG12 ILE 25 2HG1 ILE 25 8.137 -4.427 -24.749 212 HG13 ILE 25 3HG1 ILE 25 9.617 -3.586 -24.300 213 HG21 ILE 25 1HG2 ILE 25 8.067 -4.595 -21.196 214 HG22 ILE 25 2HG2 ILE 25 9.535 -3.657 -21.463 215 HG23 ILE 25 3HG2 ILE 25 8.090 -2.870 -20.828 216 HD11 ILE 25 3HD1 ILE 25 8.579 -5.926 -22.741 217 HD12 ILE 25 1HD1 ILE 25 9.625 -6.114 -24.148 218 HD13 ILE 25 2HD1 ILE 25 10.198 -5.228 -22.735 219 H VAL 26 H VAL 26 5.159 -4.465 -21.099 220 HA VAL 26 HA VAL 26 4.626 -1.791 -19.995 221 HB VAL 26 HB VAL 26 2.352 -2.724 -19.287 222 HG11 VAL 26 1HG1 VAL 26 1.301 -1.963 -21.294 223 HG12 VAL 26 2HG1 VAL 26 2.760 -1.000 -21.052 224 HG13 VAL 26 3HG1 VAL 26 2.748 -2.301 -22.244 225 HG21 VAL 26 3HG2 VAL 26 1.426 -4.453 -20.793 226 HG22 VAL 26 1HG2 VAL 26 3.035 -4.683 -21.476 227 HG23 VAL 26 2HG2 VAL 26 2.735 -5.059 -19.779 228 H PHE 27 H PHE 27 4.264 -1.719 -17.727 229 HA PHE 27 HA PHE 27 5.332 -4.067 -16.306 230 HB2 PHE 27 2HB PHE 27 5.473 -1.145 -15.534 231 HB3 PHE 27 3HB PHE 27 6.106 -2.481 -14.577 232 HD1 PHE 27 HD2 PHE 27 7.785 -4.051 -15.882 233 HD2 PHE 27 HD1 PHE 27 6.914 -0.014 -16.912 234 HE1 PHE 27 HE2 PHE 27 9.924 -3.901 -17.087 235 HE2 PHE 27 HE1 PHE 27 9.052 0.143 -18.120 236 HZ PHE 27 HZ PHE 27 10.561 -1.802 -18.208 237 H ILE 28 H ILE 28 3.716 -5.164 -15.404 238 HA ILE 28 HA ILE 28 1.228 -3.978 -14.671 239 HB ILE 28 HB ILE 28 2.213 -6.674 -13.760 240 HG12 ILE 28 2HG1 ILE 28 2.591 -6.546 -16.160 241 HG13 ILE 28 3HG1 ILE 28 1.205 -7.582 -15.835 242 HG21 ILE 28 1HG2 ILE 28 -0.350 -7.062 -14.217 243 HG22 ILE 28 2HG2 ILE 28 0.210 -6.352 -12.704 244 HG23 ILE 28 3HG2 ILE 28 -0.424 -5.316 -13.982 245 HD11 ILE 28 3HD1 ILE 28 -0.059 -5.251 -16.186 246 HD12 ILE 28 1HD1 ILE 28 1.351 -4.984 -17.212 247 HD13 ILE 28 2HD1 ILE 28 0.301 -6.372 -17.500 248 H SER 29 H SER 29 1.261 -2.522 -13.056 249 HA SER 29 HA SER 29 2.974 -2.611 -10.818 250 HB2 SER 29 2HB SER 29 0.543 -1.047 -11.568 251 HB3 SER 29 3HB SER 29 1.068 -1.015 -9.885 252 HG SER 29 HG SER 29 3.201 -0.457 -10.792 253 H TYR 30 H TYR 30 -0.341 -3.716 -11.323 254 HA TYR 30 HA TYR 30 -0.162 -5.723 -9.351 255 HB2 TYR 30 2HB TYR 30 -1.540 -4.881 -7.604 256 HB3 TYR 30 3HB TYR 30 -0.322 -3.647 -7.907 257 HD1 TYR 30 HD1 TYR 30 -0.932 -1.525 -8.947 258 HD2 TYR 30 HD2 TYR 30 -3.871 -4.491 -8.127 259 HE1 TYR 30 HE1 TYR 30 -2.704 0.150 -9.270 260 HE2 TYR 30 HE2 TYR 30 -5.651 -2.825 -8.449 261 HH TYR 30 HH TYR 30 -5.436 0.160 -8.233 262 H LYS 31 H LYS 31 -1.914 -7.123 -9.401 263 HA LYS 31 HA LYS 31 -3.601 -6.882 -11.723 264 HB2 LYS 31 2HB LYS 31 -2.787 -9.061 -11.323 265 HB3 LYS 31 3HB LYS 31 -3.220 -9.000 -9.620 266 HG2 LYS 31 2HG LYS 31 -5.520 -9.250 -10.097 267 HG3 LYS 31 3HG LYS 31 -5.266 -8.956 -11.819 268 HD2 LYS 31 2HD LYS 31 -4.185 -11.042 -12.110 269 HD3 LYS 31 3HD LYS 31 -4.032 -11.287 -10.368 270 HE2 LYS 31 2HE LYS 31 -6.734 -10.988 -10.681 271 HE3 LYS 31 3HE LYS 31 -6.280 -11.833 -12.160 272 HZ1 LYS 31 3HZ LYS 31 -6.524 -13.618 -10.828 273 HZ2 LYS 31 1HZ LYS 31 -6.222 -12.758 -9.403 274 HZ3 LYS 31 2HZ LYS 31 -4.934 -13.255 -10.380 275 H HIS 32 H HIS 32 -5.853 -6.788 -11.763 276 HA HIS 32 HA HIS 32 -7.213 -6.228 -9.227 277 HB2 HIS 32 2HB HIS 32 -6.489 -4.108 -10.526 278 HB3 HIS 32 3HB HIS 32 -7.771 -4.541 -11.653 279 HD1 HIS 32 HD1 HIS 32 -7.544 -4.223 -7.857 280 HD2 HIS 32 HD2 HIS 32 -10.022 -3.202 -11.032 281 HE1 HIS 32 HE1 HIS 32 -9.483 -2.994 -6.829 282 H GLY 33 H GLY 33 -9.513 -6.519 -9.291 283 HA2 GLY 33 2HA GLY 33 -10.338 -8.794 -10.698 284 HA3 GLY 33 3HA GLY 33 -11.409 -7.676 -9.866 285 H GLN 34 H GLN 34 -12.687 -8.542 -11.838 286 HA GLN 34 HA GLN 34 -13.797 -8.004 -13.750 287 HB2 GLN 34 2HB GLN 34 -12.229 -5.425 -13.739 288 HB3 GLN 34 3HB GLN 34 -13.766 -5.736 -14.534 289 HG2 GLN 34 2HG GLN 34 -13.298 -5.679 -11.562 290 HG3 GLN 34 3HG GLN 34 -14.053 -4.406 -12.519 291 HE21 GLN 34 1HE2 GLN 34 -15.829 -5.503 -14.048 292 HE22 GLN 34 2HE2 GLN 34 -16.989 -6.436 -13.172 293 H GLY 35 H GLY 35 -10.821 -8.961 -13.619 294 HA2 GLY 35 2HA GLY 35 -9.367 -9.819 -15.180 295 HA3 GLY 35 3HA GLY 35 -10.575 -9.457 -16.403 296 H TRP 36 H TRP 36 -9.310 -6.972 -14.315 297 HA TRP 36 HA TRP 36 -7.762 -5.910 -16.588 298 HB2 TRP 36 2HB TRP 36 -9.506 -4.438 -14.611 299 HB3 TRP 36 3HB TRP 36 -8.337 -3.627 -15.649 300 HD1 TRP 36 HD1 TRP 36 -11.829 -4.977 -15.630 301 HE1 TRP 36 HE1 TRP 36 -12.897 -4.667 -17.951 302 HE3 TRP 36 HE3 TRP 36 -7.655 -3.669 -18.277 303 HZ2 TRP 36 HZ2 TRP 36 -12.079 -3.962 -20.559 304 HZ3 TRP 36 HZ3 TRP 36 -7.884 -3.194 -20.681 305 HH2 TRP 36 HH2 TRP 36 -10.051 -3.339 -21.796 306 H LEU 37 H LEU 37 -5.735 -5.177 -16.186 307 HA LEU 37 HA LEU 37 -4.829 -5.175 -13.383 308 HB2 LEU 37 2HB LEU 37 -2.860 -5.842 -15.475 309 HB3 LEU 37 3HB LEU 37 -3.028 -6.465 -13.835 310 HG LEU 37 HG LEU 37 -4.691 -7.304 -16.210 311 HD11 LEU 37 1HD1 LEU 37 -3.122 -8.796 -16.682 312 HD12 LEU 37 2HD1 LEU 37 -3.132 -9.385 -15.020 313 HD13 LEU 37 3HD1 LEU 37 -2.079 -8.044 -15.474 314 HD21 LEU 37 3HD2 LEU 37 -4.974 -7.684 -13.335 315 HD22 LEU 37 1HD2 LEU 37 -4.942 -9.200 -14.237 316 HD23 LEU 37 2HD2 LEU 37 -6.133 -7.961 -14.637 317 H VAL 38 H VAL 38 -3.783 -3.401 -12.733 318 HA VAL 38 HA VAL 38 -3.500 -1.184 -14.536 319 HB VAL 38 HB VAL 38 -2.579 -1.402 -11.668 320 HG11 VAL 38 1HG1 VAL 38 -2.403 0.681 -13.667 321 HG12 VAL 38 2HG1 VAL 38 -3.299 1.217 -12.245 322 HG13 VAL 38 3HG1 VAL 38 -1.661 0.586 -12.071 323 HG21 VAL 38 3HG2 VAL 38 -4.866 -1.786 -11.523 324 HG22 VAL 38 1HG2 VAL 38 -4.750 -0.037 -11.329 325 HG23 VAL 38 2HG2 VAL 38 -5.232 -0.722 -12.881 326 H ALA 39 H ALA 39 -1.832 -0.953 -15.860 327 HA ALA 39 HA ALA 39 0.862 -1.554 -14.862 328 HB1 ALA 39 1HB ALA 39 -0.377 -3.250 -16.589 329 HB2 ALA 39 2HB ALA 39 0.476 -2.178 -17.701 330 HB3 ALA 39 3HB ALA 39 1.370 -3.050 -16.455 331 H GLU 40 H GLU 40 2.569 -0.587 -16.297 332 HA GLU 40 HA GLU 40 1.616 1.969 -17.411 333 HB2 GLU 40 2HB GLU 40 3.584 3.045 -16.617 334 HB3 GLU 40 3HB GLU 40 2.942 2.113 -15.272 335 HG2 GLU 40 2HG GLU 40 4.699 0.383 -16.556 336 HG3 GLU 40 3HG GLU 40 5.510 1.948 -16.567 337 H ASN 41 H ASN 41 2.870 2.870 -19.162 338 HA ASN 41 HA ASN 41 3.550 0.912 -21.116 339 HB2 ASN 41 2HB ASN 41 3.655 2.664 -22.628 340 HB3 ASN 41 3HB ASN 41 2.587 3.337 -21.400 341 HD21 ASN 41 1HD2 ASN 41 4.324 4.061 -19.444 342 HD22 ASN 41 2HD2 ASN 41 5.382 5.300 -20.020 343 H GLU 42 H GLU 42 5.684 1.618 -22.481 344 HA GLU 42 HA GLU 42 7.853 0.691 -20.914 345 HB2 GLU 42 2HB GLU 42 7.453 0.482 -23.464 346 HB3 GLU 42 3HB GLU 42 8.185 2.077 -23.559 347 HG2 GLU 42 2HG GLU 42 10.174 1.149 -22.371 348 HG3 GLU 42 3HG GLU 42 9.445 -0.449 -22.527 349 H SER 43 H SER 43 6.888 3.879 -22.065 350 HA SER 43 HA SER 43 9.194 5.309 -21.439 351 HB2 SER 43 2HB SER 43 6.932 6.024 -22.605 352 HB3 SER 43 3HB SER 43 6.516 6.561 -20.978 353 HG SER 43 HG SER 43 8.995 7.279 -22.084 354 H GLY 44 H GLY 44 6.828 3.898 -19.376 355 HA2 GLY 44 2HA GLY 44 6.716 3.736 -17.087 356 HA3 GLY 44 3HA GLY 44 8.344 4.396 -17.040 357 H SER 45 H SER 45 6.168 6.378 -18.710 358 HA SER 45 HA SER 45 5.967 8.143 -16.363 359 HB2 SER 45 2HB SER 45 7.273 8.977 -18.349 360 HB3 SER 45 3HB SER 45 5.771 8.948 -19.273 361 HG SER 45 HG SER 45 4.910 10.397 -17.673 362 H LYS 46 H LYS 46 4.183 6.246 -18.534 363 HA LYS 46 HA LYS 46 1.686 7.575 -17.707 364 HB2 LYS 46 2HB LYS 46 0.827 7.414 -19.796 365 HB3 LYS 46 3HB LYS 46 2.520 7.359 -20.268 366 HG2 LYS 46 2HG LYS 46 2.351 4.845 -20.126 367 HG3 LYS 46 3HG LYS 46 0.605 5.063 -19.976 368 HD2 LYS 46 2HD LYS 46 2.285 6.098 -22.259 369 HD3 LYS 46 3HD LYS 46 1.333 4.612 -22.299 370 HE2 LYS 46 2HE LYS 46 -0.693 5.969 -21.817 371 HE3 LYS 46 3HE LYS 46 0.297 7.422 -21.942 372 HZ1 LYS 46 3HZ LYS 46 -0.023 5.436 -24.124 373 HZ2 LYS 46 1HZ LYS 46 0.755 6.935 -24.220 374 HZ3 LYS 46 2HZ LYS 46 -0.921 6.864 -24.001 375 H THR 47 H THR 47 0.165 6.362 -16.729 376 HA THR 47 HA THR 47 0.475 3.441 -16.739 377 HB THR 47 HB THR 47 -0.202 4.953 -14.220 378 HG1 THR 47 HG1 THR 47 1.859 5.323 -13.971 379 HG21 THR 47 3HG2 THR 47 0.733 2.703 -13.302 380 HG22 THR 47 1HG2 THR 47 0.402 2.107 -14.928 381 HG23 THR 47 2HG2 THR 47 -0.908 2.761 -13.945 382 H GLY 48 H GLY 48 -1.419 2.266 -16.613 383 HA2 GLY 48 2HA GLY 48 -3.937 3.505 -15.994 384 HA3 GLY 48 3HA GLY 48 -3.724 3.230 -17.717 385 H LEU 49 H LEU 49 -5.508 1.784 -17.674 386 HA LEU 49 HA LEU 49 -5.030 -0.751 -16.269 387 HB2 LEU 49 2HB LEU 49 -7.547 0.331 -17.526 388 HB3 LEU 49 3HB LEU 49 -7.406 -1.218 -16.697 389 HG LEU 49 HG LEU 49 -6.689 1.240 -15.184 390 HD11 LEU 49 1HD1 LEU 49 -9.491 0.453 -15.945 391 HD12 LEU 49 2HD1 LEU 49 -8.703 2.016 -16.156 392 HD13 LEU 49 3HD1 LEU 49 -9.114 1.447 -14.538 393 HD21 LEU 49 3HD2 LEU 49 -8.290 -1.162 -14.344 394 HD22 LEU 49 1HD2 LEU 49 -7.417 -0.014 -13.328 395 HD23 LEU 49 2HD2 LEU 49 -6.525 -1.148 -14.343 396 H VAL 50 H VAL 50 -4.533 -2.540 -17.366 397 HA VAL 50 HA VAL 50 -4.977 -2.569 -20.278 398 HB VAL 50 HB VAL 50 -2.869 -3.683 -20.634 399 HG11 VAL 50 1HG1 VAL 50 -3.078 -1.103 -20.276 400 HG12 VAL 50 2HG1 VAL 50 -2.092 -1.422 -18.848 401 HG13 VAL 50 3HG1 VAL 50 -1.490 -1.849 -20.450 402 HG21 VAL 50 3HG2 VAL 50 -1.292 -4.138 -18.863 403 HG22 VAL 50 1HG2 VAL 50 -2.375 -3.421 -17.670 404 HG23 VAL 50 2HG2 VAL 50 -2.829 -4.916 -18.487 405 HA PRO 51 HA PRO 51 -6.864 -6.498 -19.751 406 HB2 PRO 51 2HB PRO 51 -6.206 -7.712 -22.089 407 HB3 PRO 51 3HB PRO 51 -7.395 -6.408 -21.985 408 HG2 PRO 51 2HG PRO 51 -4.516 -6.287 -22.798 409 HG3 PRO 51 3HG PRO 51 -5.920 -5.490 -23.532 410 HD2 PRO 51 2HD PRO 51 -4.215 -4.199 -21.871 411 HD3 PRO 51 3HD PRO 51 -5.944 -3.806 -21.959 412 H GLU 52 H GLU 52 -6.450 -8.613 -19.144 413 HA GLU 52 HA GLU 52 -3.642 -9.224 -18.627 414 HB2 GLU 52 2HB GLU 52 -5.233 -9.365 -16.757 415 HB3 GLU 52 3HB GLU 52 -6.155 -10.578 -17.633 416 HG2 GLU 52 2HG GLU 52 -4.541 -12.207 -17.345 417 HG3 GLU 52 3HG GLU 52 -3.265 -11.031 -17.038 418 H GLU 53 H GLU 53 -6.370 -10.347 -20.485 419 HA GLU 53 HA GLU 53 -5.068 -12.821 -21.243 420 HB2 GLU 53 2HB GLU 53 -7.726 -11.858 -21.227 421 HB3 GLU 53 3HB GLU 53 -7.318 -12.178 -22.907 422 HG2 GLU 53 2HG GLU 53 -8.138 -14.209 -22.272 423 HG3 GLU 53 3HG GLU 53 -6.420 -14.437 -21.952 424 H PHE 54 H PHE 54 -4.361 -9.818 -22.011 425 HA PHE 54 HA PHE 54 -3.834 -10.428 -24.845 426 HB2 PHE 54 2HB PHE 54 -4.928 -8.035 -23.551 427 HB3 PHE 54 3HB PHE 54 -3.603 -7.694 -24.659 428 HD1 PHE 54 HD1 PHE 54 -6.032 -10.448 -25.021 429 HD2 PHE 54 HD2 PHE 54 -4.815 -6.594 -26.358 430 HE1 PHE 54 HE1 PHE 54 -7.583 -10.621 -26.923 431 HE2 PHE 54 HE2 PHE 54 -6.365 -6.761 -28.261 432 HZ PHE 54 HZ PHE 54 -7.752 -8.776 -28.546 433 H VAL 55 H VAL 55 -2.384 -10.409 -21.980 434 HA VAL 55 HA VAL 55 0.196 -9.593 -23.127 435 HB VAL 55 HB VAL 55 0.859 -8.751 -20.851 436 HG11 VAL 55 1HG1 VAL 55 -1.309 -6.930 -21.524 437 HG12 VAL 55 2HG1 VAL 55 0.438 -6.689 -21.596 438 HG13 VAL 55 3HG1 VAL 55 -0.402 -7.468 -22.937 439 HG21 VAL 55 3HG2 VAL 55 -2.106 -9.007 -20.377 440 HG22 VAL 55 1HG2 VAL 55 -0.800 -9.767 -19.468 441 HG23 VAL 55 2HG2 VAL 55 -1.035 -8.021 -19.382 442 H SER 56 H SER 56 2.060 -10.499 -21.906 443 HA SER 56 HA SER 56 1.417 -12.989 -20.493 444 HB2 SER 56 2HB SER 56 1.836 -13.743 -22.725 445 HB3 SER 56 3HB SER 56 3.254 -12.706 -22.876 446 HG SER 56 HG SER 56 3.948 -14.779 -22.436 447 H TYR 57 H TYR 57 2.377 -12.934 -18.583 448 HA TYR 57 HA TYR 57 4.222 -11.074 -17.717 449 HB2 TYR 57 2HB TYR 57 3.292 -13.713 -16.730 450 HB3 TYR 57 3HB TYR 57 4.790 -13.098 -16.040 451 HD1 TYR 57 HD2 TYR 57 1.714 -11.272 -17.090 452 HD2 TYR 57 HD1 TYR 57 4.254 -12.428 -13.878 453 HE1 TYR 57 HE2 TYR 57 0.417 -9.848 -15.559 454 HE2 TYR 57 HE1 TYR 57 2.964 -11.009 -12.339 455 HH TYR 57 HH TYR 57 0.958 -9.895 -12.105 456 H ILE 58 H ILE 58 6.401 -10.898 -17.693 457 HA ILE 58 HA ILE 58 7.901 -12.899 -19.236 458 HB ILE 58 HB ILE 58 8.787 -10.099 -18.550 459 HG12 ILE 58 2HG1 ILE 58 7.505 -11.097 -21.103 460 HG13 ILE 58 3HG1 ILE 58 6.720 -10.069 -19.909 461 HG21 ILE 58 1HG2 ILE 58 9.787 -12.150 -20.518 462 HG22 ILE 58 2HG2 ILE 58 10.336 -10.476 -20.460 463 HG23 ILE 58 3HG2 ILE 58 10.623 -11.546 -19.087 464 HD11 ILE 58 3HD1 ILE 58 7.382 -8.476 -21.368 465 HD12 ILE 58 1HD1 ILE 58 8.846 -8.557 -20.389 466 HD13 ILE 58 2HD1 ILE 58 8.768 -9.408 -21.933 467 H GLN 59 H GLN 59 9.927 -13.640 -18.508 468 HA GLN 59 HA GLN 59 10.529 -13.129 -15.676 469 HB2 GLN 59 2HB GLN 59 9.853 -15.673 -16.980 470 HB3 GLN 59 3HB GLN 59 11.316 -15.731 -16.006 471 HG2 GLN 59 2HG GLN 59 10.201 -15.441 -14.055 472 HG3 GLN 59 3HG GLN 59 8.939 -14.455 -14.793 473 HE21 GLN 59 1HE2 GLN 59 8.924 -16.874 -13.007 474 HE22 GLN 59 2HE2 GLN 59 7.868 -17.987 -13.799 475 HA PRO 60 HA PRO 60 14.728 -12.645 -16.844 476 HB2 PRO 60 2HB PRO 60 16.053 -13.811 -14.782 477 HB3 PRO 60 3HB PRO 60 15.205 -12.268 -14.628 478 HG2 PRO 60 2HG PRO 60 14.307 -15.011 -13.833 479 HG3 PRO 60 3HG PRO 60 14.147 -13.481 -12.950 480 HD2 PRO 60 2HD PRO 60 12.105 -14.573 -14.354 481 HD3 PRO 60 3HD PRO 60 12.312 -12.819 -14.178 482 H GLU 61 H GLU 61 14.173 -15.924 -15.544 483 HA GLU 61 HA GLU 61 15.199 -17.128 -17.947 484 HB2 GLU 61 2HB GLU 61 16.821 -17.029 -15.441 485 HB3 GLU 61 3HB GLU 61 16.871 -18.489 -16.418 486 HG2 GLU 61 2HG GLU 61 18.522 -17.471 -17.510 487 HG3 GLU 61 3HG GLU 61 17.239 -16.557 -18.299 488 H LEU 62 H LEU 62 12.800 -17.112 -16.186 489 HA LEU 62 HA LEU 62 12.709 -19.967 -15.476 490 HB2 LEU 62 2HB LEU 62 10.708 -17.924 -14.582 491 HB3 LEU 62 3HB LEU 62 11.074 -19.495 -13.873 492 HG LEU 62 HG LEU 62 12.803 -17.025 -13.744 493 HD11 LEU 62 1HD1 LEU 62 11.300 -18.488 -11.579 494 HD12 LEU 62 2HD1 LEU 62 10.793 -16.971 -12.321 495 HD13 LEU 62 3HD1 LEU 62 12.286 -17.039 -11.385 496 HD21 LEU 62 3HD2 LEU 62 14.090 -18.474 -12.098 497 HD22 LEU 62 1HD2 LEU 62 14.292 -18.843 -13.811 498 HD23 LEU 62 2HD2 LEU 62 13.243 -19.848 -12.810 499 H GLU 63 H GLU 63 10.774 -21.153 -15.973 500 HA GLU 63 HA GLU 63 9.140 -21.886 -17.375 501 HB2 GLU 63 2HB GLU 63 8.114 -19.694 -16.462 502 HB3 GLU 63 3HB GLU 63 8.497 -19.027 -18.043 503 HG2 GLU 63 2HG GLU 63 7.203 -21.046 -18.971 504 HG3 GLU 63 3HG GLU 63 6.564 -21.196 -17.335 505 H1 GLY -9 H GLY -9 -7.179 1.009 -7.781 506 HA2 GLY -9 2HA GLY -9 -6.872 3.122 -5.785 507 HA3 GLY -9 3HA GLY -9 -5.801 2.814 -7.143 508 H LYS -8 H LYS -8 -5.756 4.777 -8.102 509 HA LYS -8 HA LYS -8 -7.846 6.590 -8.336 510 HB2 LYS -8 2HB LYS -8 -5.366 6.118 -9.967 511 HB3 LYS -8 3HB LYS -8 -6.515 7.371 -10.420 512 HG2 LYS -8 2HG LYS -8 -5.231 7.199 -7.706 513 HG3 LYS -8 3HG LYS -8 -4.577 8.145 -9.045 514 HD2 LYS -8 2HD LYS -8 -7.428 8.540 -8.282 515 HD3 LYS -8 3HD LYS -8 -6.176 9.229 -7.246 516 HE2 LYS -8 2HE LYS -8 -5.392 10.636 -8.920 517 HE3 LYS -8 3HE LYS -8 -6.103 9.663 -10.207 518 HZ1 LYS -8 3HZ LYS -8 -8.045 10.733 -10.044 519 HZ2 LYS -8 1HZ LYS -8 -7.164 11.935 -9.243 520 HZ3 LYS -8 2HZ LYS -8 -8.016 10.776 -8.353 521 H PHE -7 H PHE -7 -6.707 4.273 -10.798 522 HA PHE -7 HA PHE -7 -8.819 4.793 -12.606 523 HB2 PHE -7 2HB PHE -7 -7.253 2.220 -12.459 524 HB3 PHE -7 3HB PHE -7 -7.992 2.960 -13.875 525 HD1 PHE -7 HD1 PHE -7 -7.098 5.695 -13.793 526 HD2 PHE -7 HD2 PHE -7 -4.981 2.137 -12.802 527 HE1 PHE -7 HE1 PHE -7 -4.972 6.818 -14.315 528 HE2 PHE -7 HE2 PHE -7 -2.852 3.255 -13.322 529 HZ PHE -7 HZ PHE -7 -2.845 5.599 -14.079 530 H ILE -6 H ILE -6 -10.288 2.936 -13.360 531 HA ILE -6 HA ILE -6 -11.153 0.955 -11.562 532 HB ILE -6 HB ILE -6 -11.970 2.700 -10.147 533 HG12 ILE -6 2HG1 ILE -6 -14.365 2.212 -10.109 534 HG13 ILE -6 3HG1 ILE -6 -14.289 1.622 -11.765 535 HG21 ILE -6 1HG2 ILE -6 -12.473 4.036 -12.630 536 HG22 ILE -6 2HG2 ILE -6 -13.937 4.028 -11.648 537 HG23 ILE -6 3HG2 ILE -6 -12.441 4.696 -10.994 538 HD11 ILE -6 3HD1 ILE -6 -13.381 -0.358 -11.161 539 HD12 ILE -6 1HD1 ILE -6 -12.507 0.330 -9.793 540 HD13 ILE -6 2HD1 ILE -6 -14.237 0.009 -9.663 541 HA PRO -5 HA PRO -5 -12.641 0.414 -15.848 542 HB2 PRO -5 2HB PRO -5 -12.319 -2.282 -15.832 543 HB3 PRO -5 3HB PRO -5 -10.998 -1.158 -16.176 544 HG2 PRO -5 2HG PRO -5 -11.664 -2.577 -13.625 545 HG3 PRO -5 3HG PRO -5 -10.082 -2.327 -14.386 546 HD2 PRO -5 2HD PRO -5 -10.959 -0.815 -12.318 547 HD3 PRO -5 3HD PRO -5 -9.898 -0.172 -13.589 548 H SER -4 H SER -4 -14.681 -0.037 -16.479 549 HA SER -4 HA SER -4 -16.379 -1.642 -14.694 550 HB2 SER -4 2HB SER -4 -16.803 1.157 -15.636 551 HB3 SER -4 3HB SER -4 -18.213 0.105 -15.511 552 HG SER -4 HG SER -4 -16.516 1.067 -13.504 553 H ARG -3 H ARG -3 -15.510 -3.067 -16.589 554 HA ARG -3 HA ARG -3 -17.680 -3.758 -18.204 555 HB2 ARG -3 2HB ARG -3 -16.701 -3.176 -20.447 556 HB3 ARG -3 3HB ARG -3 -17.291 -1.805 -19.517 557 HG2 ARG -3 2HG ARG -3 -14.857 -1.553 -18.734 558 HG3 ARG -3 3HG ARG -3 -14.468 -2.611 -20.092 559 HD2 ARG -3 2HD ARG -3 -14.274 -0.235 -20.683 560 HD3 ARG -3 3HD ARG -3 -15.509 -1.058 -21.635 561 HE ARG -3 HE ARG -3 -16.497 0.275 -19.275 562 HH11 ARG -3 1HH1 ARG -3 -15.776 0.553 -22.669 563 HH12 ARG -3 2HH1 ARG -3 -16.865 1.877 -22.925 564 HH21 ARG -3 1HH2 ARG -3 -17.934 2.017 -19.599 565 HH22 ARG -3 2HH2 ARG -3 -18.091 2.709 -21.178 566 HA PRO -2 HA PRO -2 -15.306 -7.432 -18.553 567 HB2 PRO -2 2HB PRO -2 -16.305 -8.503 -20.839 568 HB3 PRO -2 3HB PRO -2 -17.213 -8.454 -19.324 569 HG2 PRO -2 2HG PRO -2 -17.387 -6.636 -21.696 570 HG3 PRO -2 3HG PRO -2 -18.695 -7.332 -20.721 571 HD2 PRO -2 2HD PRO -2 -17.834 -4.785 -20.398 572 HD3 PRO -2 3HD PRO -2 -18.457 -5.761 -19.052 573 H ALA -1 H ALA -1 -13.327 -7.954 -19.271 574 HA ALA -1 HA ALA -1 -11.975 -6.314 -21.148 575 HB1 ALA -1 1HB ALA -1 -10.990 -7.594 -19.170 576 HB2 ALA -1 2HB ALA -1 -10.996 -9.001 -20.235 577 HB3 ALA -1 3HB ALA -1 -10.059 -7.571 -20.668 578 HA PRO 0 HA PRO 0 -12.765 -8.304 -24.983 579 HB2 PRO 0 2HB PRO 0 -10.417 -7.875 -26.276 580 HB3 PRO 0 3HB PRO 0 -11.593 -6.591 -25.969 581 HG2 PRO 0 2HG PRO 0 -9.091 -7.266 -24.470 582 HG3 PRO 0 3HG PRO 0 -9.717 -5.676 -24.945 583 HD2 PRO 0 2HD PRO 0 -10.000 -6.665 -22.440 584 HD3 PRO 0 3HD PRO 0 -11.207 -5.598 -23.187 585 H LYS 1 H LYS 1 -11.753 -9.907 -26.561 586 HA LYS 1 HA LYS 1 -10.223 -11.945 -25.082 587 HB2 LYS 1 2HB LYS 1 -11.479 -13.668 -26.304 588 HB3 LYS 1 3HB LYS 1 -12.542 -12.657 -25.333 589 HG2 LYS 1 2HG LYS 1 -13.174 -11.399 -27.327 590 HG3 LYS 1 3HG LYS 1 -12.102 -12.406 -28.303 591 HD2 LYS 1 2HD LYS 1 -13.568 -14.318 -27.108 592 HD3 LYS 1 3HD LYS 1 -14.754 -13.011 -27.147 593 HE2 LYS 1 2HE LYS 1 -13.218 -14.072 -29.517 594 HE3 LYS 1 3HE LYS 1 -14.900 -14.435 -29.137 595 HZ1 LYS 1 3HZ LYS 1 -14.634 -11.667 -29.150 596 HZ2 LYS 1 1HZ LYS 1 -15.474 -12.632 -30.257 597 HZ3 LYS 1 2HZ LYS 1 -13.855 -12.233 -30.541 598 HA PRO 2 HA PRO 2 -7.312 -11.957 -28.369 599 HB2 PRO 2 2HB PRO 2 -6.496 -14.547 -28.328 600 HB3 PRO 2 3HB PRO 2 -6.047 -13.378 -27.080 601 HG2 PRO 2 2HG PRO 2 -8.195 -15.463 -27.037 602 HG3 PRO 2 3HG PRO 2 -7.046 -15.013 -25.763 603 HD2 PRO 2 2HD PRO 2 -9.613 -14.150 -25.782 604 HD3 PRO 2 3HD PRO 2 -8.283 -13.176 -25.122 605 HA PRO 3 HA PRO 3 -9.097 -13.379 -32.129 606 HB2 PRO 3 2HB PRO 3 -6.900 -13.967 -33.612 607 HB3 PRO 3 3HB PRO 3 -7.384 -12.311 -33.227 608 HG2 PRO 3 2HG PRO 3 -5.305 -14.028 -31.927 609 HG3 PRO 3 3HG PRO 3 -5.223 -12.312 -32.368 610 HD2 PRO 3 2HD PRO 3 -5.707 -13.144 -29.837 611 HD3 PRO 3 3HD PRO 3 -6.394 -11.646 -30.497 612 H SER 4 H SER 4 -6.882 -15.471 -30.437 613 HA SER 4 HA SER 4 -7.069 -17.778 -32.002 614 HB2 SER 4 2HB SER 4 -6.074 -18.905 -30.224 615 HB3 SER 4 3HB SER 4 -5.590 -17.239 -29.909 616 HG SER 4 HG SER 4 -6.863 -18.825 -28.283 617 H SER 5 H SER 5 -8.280 -19.737 -31.614 618 HA SER 5 HA SER 5 -11.056 -19.278 -31.412 619 HB2 SER 5 2HB SER 5 -11.326 -21.605 -31.789 620 HB3 SER 5 3HB SER 5 -9.865 -21.158 -32.671 621 HG SER 5 HG SER 5 -9.735 -23.101 -31.325 622 H ALA 6 H ALA 6 -8.693 -20.623 -29.153 623 HA ALA 6 HA ALA 6 -10.751 -20.507 -27.045 624 HB1 ALA 6 1HB ALA 6 -8.998 -22.180 -25.945 625 HB2 ALA 6 2HB ALA 6 -10.297 -22.731 -27.003 626 HB3 ALA 6 3HB ALA 6 -8.667 -22.525 -27.643 Start of MODEL 16 1 H1 MET -4 H MET -4 0.606 -2.467 2.022 2 HA MET -4 HA MET -4 1.414 -0.905 -0.335 3 HB2 MET -4 2HB MET -4 3.069 -1.830 1.958 4 HB3 MET -4 3HB MET -4 3.787 -1.914 0.355 5 HG2 MET -4 2HG MET -4 4.455 0.166 0.954 6 HG3 MET -4 3HG MET -4 2.908 0.566 0.211 7 HE1 MET -4 3HE MET -4 3.101 3.103 3.185 8 HE2 MET -4 1HE MET -4 4.475 2.516 2.247 9 HE3 MET -4 2HE MET -4 2.956 2.903 1.439 10 H ALA -3 H ALA -3 0.352 -2.320 -1.723 11 HA ALA -3 HA ALA -3 1.589 -4.984 -1.939 12 HB1 ALA -3 1HB ALA -3 -0.675 -5.211 -1.052 13 HB2 ALA -3 2HB ALA -3 -1.312 -4.327 -2.439 14 HB3 ALA -3 3HB ALA -3 -0.551 -5.900 -2.671 15 H ILE -2 H ILE -2 2.921 -3.380 -3.355 16 HA ILE -2 HA ILE -2 1.776 -3.426 -6.072 17 HB ILE -2 HB ILE -2 3.653 -1.393 -4.867 18 HG12 ILE -2 2HG1 ILE -2 1.720 0.102 -5.820 19 HG13 ILE -2 3HG1 ILE -2 0.785 -1.387 -5.741 20 HG21 ILE -2 1HG2 ILE -2 2.776 -1.763 -7.726 21 HG22 ILE -2 2HG2 ILE -2 3.552 -0.306 -7.107 22 HG23 ILE -2 3HG2 ILE -2 4.419 -1.841 -7.091 23 HD11 ILE -2 3HD1 ILE -2 0.422 -1.061 -3.590 24 HD12 ILE -2 1HD1 ILE -2 2.157 -1.042 -3.275 25 HD13 ILE -2 2HD1 ILE -2 1.318 0.455 -3.682 26 H VAL -1 H VAL -1 2.843 -4.611 -7.512 27 HA VAL -1 HA VAL -1 5.576 -5.485 -6.847 28 HB VAL -1 HB VAL -1 3.641 -6.834 -8.731 29 HG11 VAL -1 1HG1 VAL -1 5.207 -8.755 -8.428 30 HG12 VAL -1 2HG1 VAL -1 5.910 -7.371 -9.267 31 HG13 VAL -1 3HG1 VAL -1 6.295 -7.665 -7.571 32 HG21 VAL -1 3HG2 VAL -1 3.996 -7.035 -5.800 33 HG22 VAL -1 1HG2 VAL -1 2.562 -7.303 -6.792 34 HG23 VAL -1 2HG2 VAL -1 3.806 -8.548 -6.685 35 H ASN 1 H ASN 1 7.215 -5.001 -8.175 36 HA ASN 1 HA ASN 1 6.632 -3.400 -10.540 37 HB2 ASN 1 2HB ASN 1 9.114 -3.902 -8.915 38 HB3 ASN 1 3HB ASN 1 9.207 -3.153 -10.506 39 HD21 ASN 1 1HD2 ASN 1 7.544 -2.866 -7.397 40 HD22 ASN 1 2HD2 ASN 1 7.470 -1.140 -7.399 41 H GLN 2 H GLN 2 5.787 -5.690 -11.298 42 HA GLN 2 HA GLN 2 7.968 -7.214 -12.523 43 HB2 GLN 2 2HB GLN 2 6.183 -8.399 -11.218 44 HB3 GLN 2 3HB GLN 2 5.026 -7.895 -12.442 45 HG2 GLN 2 2HG GLN 2 5.652 -10.129 -12.922 46 HG3 GLN 2 3HG GLN 2 6.406 -9.095 -14.135 47 HE21 GLN 2 1HE2 GLN 2 8.014 -10.555 -14.619 48 HE22 GLN 2 2HE2 GLN 2 9.307 -10.918 -13.533 49 H ARG 3 H ARG 3 8.409 -7.087 -14.628 50 HA ARG 3 HA ARG 3 6.872 -5.279 -16.280 51 HB2 ARG 3 2HB ARG 3 8.652 -5.421 -17.842 52 HB3 ARG 3 3HB ARG 3 9.400 -5.404 -16.251 53 HG2 ARG 3 2HG ARG 3 9.151 -8.060 -16.634 54 HG3 ARG 3 3HG ARG 3 9.351 -7.511 -18.299 55 HD2 ARG 3 2HD ARG 3 11.533 -7.904 -17.580 56 HD3 ARG 3 3HD ARG 3 11.340 -6.160 -17.404 57 HE ARG 3 HE ARG 3 11.646 -6.409 -15.158 58 HH11 ARG 3 1HH1 ARG 3 10.725 -9.485 -16.504 59 HH12 ARG 3 2HH1 ARG 3 10.953 -10.350 -15.020 60 HH21 ARG 3 1HH2 ARG 3 11.949 -7.536 -13.198 61 HH22 ARG 3 2HH2 ARG 3 11.649 -9.240 -13.140 62 H ALA 4 H ALA 4 6.297 -5.907 -18.531 63 HA ALA 4 HA ALA 4 5.787 -8.713 -19.018 64 HB1 ALA 4 1HB ALA 4 3.773 -7.076 -17.838 65 HB2 ALA 4 2HB ALA 4 3.273 -7.515 -19.472 66 HB3 ALA 4 3HB ALA 4 3.688 -8.773 -18.308 67 H VAL 5 H VAL 5 5.168 -9.159 -21.182 68 HA VAL 5 HA VAL 5 5.793 -6.959 -23.027 69 HB VAL 5 HB VAL 5 7.210 -9.013 -23.130 70 HG11 VAL 5 1HG1 VAL 5 6.336 -11.054 -23.249 71 HG12 VAL 5 2HG1 VAL 5 4.746 -10.325 -23.018 72 HG13 VAL 5 3HG1 VAL 5 5.357 -10.613 -24.648 73 HG21 VAL 5 3HG2 VAL 5 7.317 -9.077 -25.505 74 HG22 VAL 5 1HG2 VAL 5 5.625 -8.601 -25.657 75 HG23 VAL 5 2HG2 VAL 5 6.816 -7.445 -25.060 76 H ALA 6 H ALA 6 4.522 -6.587 -24.866 77 HA ALA 6 HA ALA 6 1.724 -7.316 -24.524 78 HB1 ALA 6 1HB ALA 6 1.844 -5.060 -24.944 79 HB2 ALA 6 2HB ALA 6 3.181 -5.231 -26.082 80 HB3 ALA 6 3HB ALA 6 1.548 -5.690 -26.565 81 H LEU 7 H LEU 7 0.910 -9.029 -25.519 82 HA LEU 7 HA LEU 7 2.308 -10.258 -27.736 83 HB2 LEU 7 2HB LEU 7 -0.351 -11.166 -26.717 84 HB3 LEU 7 3HB LEU 7 0.965 -12.118 -27.400 85 HG LEU 7 HG LEU 7 1.061 -10.810 -24.685 86 HD11 LEU 7 1HD1 LEU 7 0.860 -13.735 -24.899 87 HD12 LEU 7 2HD1 LEU 7 -0.605 -12.842 -25.306 88 HD13 LEU 7 3HD1 LEU 7 0.149 -12.626 -23.726 89 HD21 LEU 7 3HD2 LEU 7 3.215 -11.335 -24.756 90 HD22 LEU 7 1HD2 LEU 7 3.021 -12.055 -26.354 91 HD23 LEU 7 2HD2 LEU 7 2.771 -13.035 -24.910 92 H TYR 8 H TYR 8 -0.671 -8.484 -27.169 93 HA TYR 8 HA TYR 8 -0.966 -8.161 -30.063 94 HB2 TYR 8 2HB TYR 8 -3.416 -8.655 -28.403 95 HB3 TYR 8 3HB TYR 8 -3.203 -8.818 -30.143 96 HD1 TYR 8 HD1 TYR 8 -1.519 -10.692 -30.892 97 HD2 TYR 8 HD2 TYR 8 -3.434 -10.565 -27.095 98 HE1 TYR 8 HE1 TYR 8 -1.134 -13.106 -30.623 99 HE2 TYR 8 HE2 TYR 8 -3.053 -12.978 -26.815 100 HH TYR 8 HH TYR 8 -1.224 -14.684 -27.842 101 H ASP 9 H ASP 9 -1.599 -6.161 -30.677 102 HA ASP 9 HA ASP 9 -1.458 -4.035 -28.833 103 HB2 ASP 9 2HB ASP 9 -1.757 -2.607 -30.659 104 HB3 ASP 9 3HB ASP 9 -1.034 -4.038 -31.388 105 H PHE 10 H PHE 10 -2.986 -2.854 -27.795 106 HA PHE 10 HA PHE 10 -5.808 -3.467 -28.300 107 HB2 PHE 10 2HB PHE 10 -5.496 -4.847 -26.448 108 HB3 PHE 10 3HB PHE 10 -4.332 -3.755 -25.706 109 HD1 PHE 10 HD2 PHE 10 -7.930 -4.017 -26.603 110 HD2 PHE 10 HD1 PHE 10 -5.003 -2.322 -24.019 111 HE1 PHE 10 HE2 PHE 10 -9.719 -3.070 -25.203 112 HE2 PHE 10 HE1 PHE 10 -6.787 -1.373 -22.615 113 HZ PHE 10 HZ PHE 10 -9.148 -1.746 -23.207 114 H GLU 11 H GLU 11 -7.241 -1.796 -27.880 115 HA GLU 11 HA GLU 11 -5.987 0.797 -27.256 116 HB2 GLU 11 2HB GLU 11 -7.152 0.164 -29.602 117 HB3 GLU 11 3HB GLU 11 -8.560 0.746 -28.724 118 HG2 GLU 11 2HG GLU 11 -7.501 2.871 -28.335 119 HG3 GLU 11 3HG GLU 11 -6.005 2.296 -29.068 120 HA PRO 12 HA PRO 12 -8.640 0.965 -23.732 121 HB2 PRO 12 2HB PRO 12 -8.393 3.618 -23.208 122 HB3 PRO 12 3HB PRO 12 -7.116 2.447 -22.858 123 HG2 PRO 12 2HG PRO 12 -7.394 4.308 -25.186 124 HG3 PRO 12 3HG PRO 12 -5.951 3.919 -24.231 125 HD2 PRO 12 2HD PRO 12 -6.437 2.811 -26.654 126 HD3 PRO 12 3HD PRO 12 -5.581 1.945 -25.362 127 H GLU 13 H GLU 13 -10.749 1.426 -23.281 128 HA GLU 13 HA GLU 13 -12.239 2.885 -25.356 129 HB2 GLU 13 2HB GLU 13 -12.648 0.349 -24.458 130 HB3 GLU 13 3HB GLU 13 -13.744 1.249 -23.419 131 HG2 GLU 13 2HG GLU 13 -14.432 2.338 -25.738 132 HG3 GLU 13 3HG GLU 13 -13.842 0.789 -26.340 133 H ASN 14 H ASN 14 -11.083 3.208 -22.253 134 HA ASN 14 HA ASN 14 -13.138 5.220 -21.615 135 HB2 ASN 14 2HB ASN 14 -11.742 3.269 -19.791 136 HB3 ASN 14 3HB ASN 14 -12.500 4.735 -19.176 137 HD21 ASN 14 1HD2 ASN 14 -12.976 1.556 -20.330 138 HD22 ASN 14 2HD2 ASN 14 -14.695 1.507 -20.160 139 H ASP 15 H ASP 15 -12.202 6.750 -19.816 140 HA ASP 15 HA ASP 15 -9.713 7.813 -20.911 141 HB2 ASP 15 2HB ASP 15 -10.285 9.824 -19.523 142 HB3 ASP 15 3HB ASP 15 -11.493 9.415 -20.738 143 H ASN 16 H ASN 16 -9.881 5.447 -19.082 144 HA ASN 16 HA ASN 16 -7.890 6.396 -17.156 145 HB2 ASN 16 2HB ASN 16 -9.039 4.672 -15.531 146 HB3 ASN 16 3HB ASN 16 -9.645 6.321 -15.655 147 HD21 ASN 16 1HD2 ASN 16 -10.410 3.065 -15.851 148 HD22 ASN 16 2HD2 ASN 16 -11.992 3.213 -16.531 149 H GLU 17 H GLU 17 -8.300 4.590 -19.689 150 HA GLU 17 HA GLU 17 -6.932 2.206 -18.646 151 HB2 GLU 17 2HB GLU 17 -8.611 2.703 -21.082 152 HB3 GLU 17 3HB GLU 17 -7.471 1.365 -21.053 153 HG2 GLU 17 2HG GLU 17 -9.326 1.622 -18.760 154 HG3 GLU 17 3HG GLU 17 -10.002 1.108 -20.305 155 H LEU 18 H LEU 18 -5.227 1.280 -20.059 156 HA LEU 18 HA LEU 18 -3.620 3.434 -21.265 157 HB2 LEU 18 2HB LEU 18 -2.489 2.626 -19.358 158 HB3 LEU 18 3HB LEU 18 -2.831 0.948 -19.773 159 HG LEU 18 HG LEU 18 -1.246 1.048 -21.606 160 HD11 LEU 18 1HD1 LEU 18 -0.680 2.964 -22.559 161 HD12 LEU 18 2HD1 LEU 18 0.091 3.496 -21.065 162 HD13 LEU 18 3HD1 LEU 18 -1.614 3.844 -21.349 163 HD21 LEU 18 3HD2 LEU 18 0.768 1.935 -20.018 164 HD22 LEU 18 1HD2 LEU 18 0.035 0.335 -19.905 165 HD23 LEU 18 2HD2 LEU 18 -0.496 1.626 -18.827 166 H ARG 19 H ARG 19 -2.661 3.119 -23.244 167 HA ARG 19 HA ARG 19 -3.880 1.136 -24.935 168 HB2 ARG 19 2HB ARG 19 -1.662 3.059 -25.643 169 HB3 ARG 19 3HB ARG 19 -2.751 2.235 -26.751 170 HG2 ARG 19 2HG ARG 19 -4.412 3.719 -26.432 171 HG3 ARG 19 3HG ARG 19 -4.044 3.925 -24.719 172 HD2 ARG 19 2HD ARG 19 -3.655 5.943 -26.185 173 HD3 ARG 19 3HD ARG 19 -2.296 5.445 -25.179 174 HE ARG 19 HE ARG 19 -1.101 5.049 -27.082 175 HH11 ARG 19 1HH1 ARG 19 -4.489 5.107 -27.882 176 HH12 ARG 19 2HH1 ARG 19 -4.221 4.987 -29.590 177 HH21 ARG 19 1HH2 ARG 19 -0.736 4.892 -29.328 178 HH22 ARG 19 2HH2 ARG 19 -2.086 4.864 -30.411 179 H LEU 20 H LEU 20 -2.743 -0.414 -26.210 180 HA LEU 20 HA LEU 20 -0.055 -1.121 -25.283 181 HB2 LEU 20 2HB LEU 20 -2.340 -2.464 -24.454 182 HB3 LEU 20 3HB LEU 20 -1.688 -3.469 -25.747 183 HG LEU 20 HG LEU 20 0.378 -3.757 -24.571 184 HD11 LEU 20 1HD1 LEU 20 0.172 -2.698 -22.079 185 HD12 LEU 20 2HD1 LEU 20 -0.581 -1.438 -23.055 186 HD13 LEU 20 3HD1 LEU 20 1.064 -1.965 -23.412 187 HD21 LEU 20 3HD2 LEU 20 -0.877 -5.416 -23.706 188 HD22 LEU 20 1HD2 LEU 20 -2.183 -4.329 -23.233 189 HD23 LEU 20 2HD2 LEU 20 -0.743 -4.469 -22.223 190 H ALA 21 H ALA 21 1.189 -2.299 -26.769 191 HA ALA 21 HA ALA 21 0.019 -2.788 -29.408 192 HB1 ALA 21 1HB ALA 21 1.123 -1.168 -30.453 193 HB2 ALA 21 2HB ALA 21 1.572 -0.533 -28.870 194 HB3 ALA 21 3HB ALA 21 2.648 -1.650 -29.709 195 H GLU 22 H GLU 22 0.886 -4.503 -30.488 196 HA GLU 22 HA GLU 22 2.146 -6.536 -29.126 197 HB2 GLU 22 2HB GLU 22 0.985 -6.825 -31.279 198 HB3 GLU 22 3HB GLU 22 2.296 -5.985 -32.095 199 HG2 GLU 22 2HG GLU 22 3.517 -8.036 -30.648 200 HG3 GLU 22 3HG GLU 22 2.072 -8.752 -31.359 201 H GLY 23 H GLY 23 4.130 -6.807 -28.356 202 HA2 GLY 23 2HA GLY 23 6.491 -6.899 -28.578 203 HA3 GLY 23 3HA GLY 23 6.399 -5.632 -29.793 204 H ASP 24 H ASP 24 4.429 -4.349 -27.713 205 HA ASP 24 HA ASP 24 6.365 -2.567 -26.620 206 HB2 ASP 24 2HB ASP 24 3.400 -2.873 -26.118 207 HB3 ASP 24 3HB ASP 24 4.383 -1.587 -25.424 208 H ILE 25 H ILE 25 6.916 -2.224 -24.447 209 HA ILE 25 HA ILE 25 6.452 -4.549 -22.695 210 HB ILE 25 HB ILE 25 8.853 -2.717 -22.683 211 HG12 ILE 25 2HG1 ILE 25 8.267 -5.265 -24.089 212 HG13 ILE 25 3HG1 ILE 25 9.318 -3.935 -24.561 213 HG21 ILE 25 1HG2 ILE 25 9.789 -4.160 -21.053 214 HG22 ILE 25 2HG2 ILE 25 8.155 -3.784 -20.510 215 HG23 ILE 25 3HG2 ILE 25 8.498 -5.343 -21.259 216 HD11 ILE 25 3HD1 ILE 25 10.906 -4.725 -22.770 217 HD12 ILE 25 1HD1 ILE 25 9.906 -6.172 -22.652 218 HD13 ILE 25 2HD1 ILE 25 10.717 -5.782 -24.169 219 H VAL 26 H VAL 26 5.245 -4.131 -20.978 220 HA VAL 26 HA VAL 26 5.265 -1.399 -19.869 221 HB VAL 26 HB VAL 26 2.945 -1.967 -19.012 222 HG11 VAL 26 1HG1 VAL 26 2.306 -1.955 -21.757 223 HG12 VAL 26 2HG1 VAL 26 2.406 -0.578 -20.658 224 HG13 VAL 26 3HG1 VAL 26 3.825 -1.076 -21.581 225 HG21 VAL 26 3HG2 VAL 26 1.722 -3.688 -20.318 226 HG22 VAL 26 1HG2 VAL 26 3.260 -4.199 -21.015 227 HG23 VAL 26 2HG2 VAL 26 2.981 -4.359 -19.281 228 H PHE 27 H PHE 27 4.625 -1.318 -17.534 229 HA PHE 27 HA PHE 27 5.805 -3.602 -16.094 230 HB2 PHE 27 2HB PHE 27 5.778 -0.678 -15.314 231 HB3 PHE 27 3HB PHE 27 6.463 -1.982 -14.349 232 HD1 PHE 27 HD1 PHE 27 8.110 -3.538 -15.896 233 HD2 PHE 27 HD2 PHE 27 7.320 0.615 -16.391 234 HE1 PHE 27 HE1 PHE 27 10.261 -3.271 -17.060 235 HE2 PHE 27 HE2 PHE 27 9.469 0.888 -17.557 236 HZ PHE 27 HZ PHE 27 10.943 -1.056 -17.894 237 H ILE 28 H ILE 28 4.190 -4.784 -15.288 238 HA ILE 28 HA ILE 28 1.646 -3.722 -14.583 239 HB ILE 28 HB ILE 28 2.732 -6.376 -13.665 240 HG12 ILE 28 2HG1 ILE 28 3.176 -6.217 -16.050 241 HG13 ILE 28 3HG1 ILE 28 1.828 -7.315 -15.775 242 HG21 ILE 28 1HG2 ILE 28 0.015 -5.187 -14.048 243 HG22 ILE 28 2HG2 ILE 28 0.242 -6.933 -14.125 244 HG23 ILE 28 3HG2 ILE 28 0.672 -6.052 -12.659 245 HD11 ILE 28 3HD1 ILE 28 0.939 -6.131 -17.471 246 HD12 ILE 28 1HD1 ILE 28 0.464 -5.054 -16.158 247 HD13 ILE 28 2HD1 ILE 28 1.898 -4.694 -17.120 248 H SER 29 H SER 29 1.579 -2.278 -12.957 249 HA SER 29 HA SER 29 3.241 -2.321 -10.676 250 HB2 SER 29 2HB SER 29 0.747 -0.852 -11.444 251 HB3 SER 29 3HB SER 29 1.303 -0.781 -9.772 252 HG SER 29 HG SER 29 3.431 -0.240 -10.874 253 H TYR 30 H TYR 30 -0.009 -3.551 -11.287 254 HA TYR 30 HA TYR 30 0.185 -5.560 -9.321 255 HB2 TYR 30 2HB TYR 30 -1.300 -4.780 -7.620 256 HB3 TYR 30 3HB TYR 30 -0.083 -3.530 -7.850 257 HD1 TYR 30 HD1 TYR 30 -3.603 -4.438 -8.437 258 HD2 TYR 30 HD2 TYR 30 -0.676 -1.360 -8.682 259 HE1 TYR 30 HE1 TYR 30 -5.384 -2.783 -8.807 260 HE2 TYR 30 HE2 TYR 30 -2.449 0.304 -9.051 261 HH TYR 30 HH TYR 30 -4.630 0.667 -9.211 262 H LYS 31 H LYS 31 -1.528 -7.014 -9.411 263 HA LYS 31 HA LYS 31 -3.156 -6.816 -11.783 264 HB2 LYS 31 2HB LYS 31 -2.281 -8.968 -11.392 265 HB3 LYS 31 3HB LYS 31 -2.738 -8.939 -9.693 266 HG2 LYS 31 2HG LYS 31 -5.017 -9.277 -10.198 267 HG3 LYS 31 3HG LYS 31 -4.762 -8.942 -11.912 268 HD2 LYS 31 2HD LYS 31 -3.584 -10.978 -12.225 269 HD3 LYS 31 3HD LYS 31 -3.462 -11.253 -10.486 270 HE2 LYS 31 2HE LYS 31 -6.167 -11.043 -10.862 271 HE3 LYS 31 3HE LYS 31 -5.644 -11.848 -12.341 272 HZ1 LYS 31 3HZ LYS 31 -4.592 -13.553 -11.035 273 HZ2 LYS 31 1HZ LYS 31 -6.208 -13.409 -10.554 274 HZ3 LYS 31 2HZ LYS 31 -4.978 -12.757 -9.593 275 H HIS 32 H HIS 32 -5.400 -6.770 -11.885 276 HA HIS 32 HA HIS 32 -6.840 -6.279 -9.375 277 HB2 HIS 32 2HB HIS 32 -6.181 -4.138 -10.667 278 HB3 HIS 32 3HB HIS 32 -7.410 -4.633 -11.827 279 HD1 HIS 32 HD1 HIS 32 -7.324 -4.317 -8.026 280 HD2 HIS 32 HD2 HIS 32 -9.718 -3.359 -11.283 281 HE1 HIS 32 HE1 HIS 32 -9.338 -3.160 -7.062 282 H GLY 33 H GLY 33 -9.143 -6.627 -9.506 283 HA2 GLY 33 2HA GLY 33 -9.839 -8.959 -10.904 284 HA3 GLY 33 3HA GLY 33 -10.971 -7.880 -10.101 285 H GLN 34 H GLN 34 -12.190 -8.788 -12.080 286 HA GLN 34 HA GLN 34 -13.275 -8.313 -14.021 287 HB2 GLN 34 2HB GLN 34 -11.814 -5.670 -13.935 288 HB3 GLN 34 3HB GLN 34 -13.273 -6.038 -14.845 289 HG2 GLN 34 2HG GLN 34 -13.242 -6.318 -11.872 290 HG3 GLN 34 3HG GLN 34 -13.446 -4.735 -12.620 291 HE21 GLN 34 1HE2 GLN 34 -15.047 -7.326 -11.405 292 HE22 GLN 34 2HE2 GLN 34 -16.563 -7.139 -12.213 293 H GLY 35 H GLY 35 -10.274 -9.158 -13.832 294 HA2 GLY 35 2HA GLY 35 -8.756 -9.962 -15.360 295 HA3 GLY 35 3HA GLY 35 -9.952 -9.646 -16.609 296 H TRP 36 H TRP 36 -8.788 -7.132 -14.486 297 HA TRP 36 HA TRP 36 -7.250 -6.008 -16.734 298 HB2 TRP 36 2HB TRP 36 -9.071 -4.598 -14.781 299 HB3 TRP 36 3HB TRP 36 -7.917 -3.748 -15.805 300 HD1 TRP 36 HD1 TRP 36 -11.362 -5.209 -15.828 301 HE1 TRP 36 HE1 TRP 36 -12.411 -4.937 -18.162 302 HE3 TRP 36 HE3 TRP 36 -7.200 -3.773 -18.425 303 HZ2 TRP 36 HZ2 TRP 36 -11.584 -4.210 -20.761 304 HZ3 TRP 36 HZ3 TRP 36 -7.414 -3.308 -20.832 305 HH2 TRP 36 HH2 TRP 36 -9.561 -3.523 -21.974 306 H LEU 37 H LEU 37 -5.262 -5.185 -16.295 307 HA LEU 37 HA LEU 37 -4.400 -5.167 -13.479 308 HB2 LEU 37 2HB LEU 37 -2.374 -5.763 -15.538 309 HB3 LEU 37 3HB LEU 37 -2.550 -6.396 -13.903 310 HG LEU 37 HG LEU 37 -4.135 -7.286 -16.312 311 HD11 LEU 37 1HD1 LEU 37 -2.525 -8.749 -16.736 312 HD12 LEU 37 2HD1 LEU 37 -2.528 -9.305 -15.063 313 HD13 LEU 37 3HD1 LEU 37 -1.520 -7.937 -15.536 314 HD21 LEU 37 3HD2 LEU 37 -4.356 -9.180 -14.318 315 HD22 LEU 37 1HD2 LEU 37 -5.591 -8.012 -14.788 316 HD23 LEU 37 2HD2 LEU 37 -4.498 -7.650 -13.452 317 H VAL 38 H VAL 38 -3.428 -3.358 -12.811 318 HA VAL 38 HA VAL 38 -3.191 -1.131 -14.607 319 HB VAL 38 HB VAL 38 -2.302 -1.315 -11.726 320 HG11 VAL 38 1HG1 VAL 38 -2.923 1.060 -13.479 321 HG12 VAL 38 2HG1 VAL 38 -2.533 1.129 -11.760 322 HG13 VAL 38 3HG1 VAL 38 -1.326 0.566 -12.918 323 HG21 VAL 38 3HG2 VAL 38 -4.537 -0.035 -11.424 324 HG22 VAL 38 1HG2 VAL 38 -4.966 -0.764 -12.972 325 HG23 VAL 38 2HG2 VAL 38 -4.568 -1.790 -11.594 326 H ALA 39 H ALA 39 -1.509 -0.841 -15.903 327 HA ALA 39 HA ALA 39 1.185 -1.378 -14.865 328 HB1 ALA 39 1HB ALA 39 0.731 -1.961 -17.731 329 HB2 ALA 39 2HB ALA 39 1.816 -2.730 -16.572 330 HB3 ALA 39 3HB ALA 39 0.096 -3.122 -16.565 331 H GLU 40 H GLU 40 2.892 -0.291 -16.160 332 HA GLU 40 HA GLU 40 1.888 2.207 -17.359 333 HB2 GLU 40 2HB GLU 40 3.730 3.407 -16.390 334 HB3 GLU 40 3HB GLU 40 2.917 2.519 -15.109 335 HG2 GLU 40 2HG GLU 40 4.997 0.901 -16.215 336 HG3 GLU 40 3HG GLU 40 5.641 2.484 -15.783 337 H ASN 41 H ASN 41 3.371 3.231 -18.900 338 HA ASN 41 HA ASN 41 4.192 1.471 -20.908 339 HB2 ASN 41 2HB ASN 41 5.271 3.452 -21.938 340 HB3 ASN 41 3HB ASN 41 3.628 3.784 -21.398 341 HD21 ASN 41 1HD2 ASN 41 5.135 5.899 -21.846 342 HD22 ASN 41 2HD2 ASN 41 5.661 6.636 -20.375 343 H GLU 42 H GLU 42 6.616 2.022 -21.842 344 HA GLU 42 HA GLU 42 8.341 0.618 -20.021 345 HB2 GLU 42 2HB GLU 42 8.181 0.549 -22.668 346 HB3 GLU 42 3HB GLU 42 9.374 1.835 -22.541 347 HG2 GLU 42 2HG GLU 42 10.826 0.365 -21.243 348 HG3 GLU 42 3HG GLU 42 9.630 -0.924 -21.365 349 H SER 43 H SER 43 8.104 3.889 -21.310 350 HA SER 43 HA SER 43 10.550 4.830 -20.221 351 HB2 SER 43 2HB SER 43 8.137 6.541 -20.822 352 HB3 SER 43 3HB SER 43 9.839 7.001 -20.880 353 HG SER 43 HG SER 43 9.622 6.537 -22.924 354 H GLY 44 H GLY 44 7.423 4.269 -18.890 355 HA2 GLY 44 2HA GLY 44 6.761 4.315 -16.675 356 HA3 GLY 44 3HA GLY 44 8.359 4.910 -16.251 357 H SER 45 H SER 45 6.439 6.530 -18.656 358 HA SER 45 HA SER 45 6.165 8.805 -16.815 359 HB2 SER 45 2HB SER 45 6.506 8.583 -19.781 360 HB3 SER 45 3HB SER 45 5.684 9.995 -19.117 361 HG SER 45 HG SER 45 7.601 10.732 -18.720 362 H LYS 46 H LYS 46 4.407 6.489 -18.647 363 HA LYS 46 HA LYS 46 1.892 7.836 -17.913 364 HB2 LYS 46 2HB LYS 46 1.037 7.617 -19.988 365 HB3 LYS 46 3HB LYS 46 2.719 7.482 -20.483 366 HG2 LYS 46 2HG LYS 46 2.537 5.027 -20.323 367 HG3 LYS 46 3HG LYS 46 0.827 5.207 -19.926 368 HD2 LYS 46 2HD LYS 46 1.082 4.707 -22.284 369 HD3 LYS 46 3HD LYS 46 0.472 6.351 -22.080 370 HE2 LYS 46 2HE LYS 46 3.299 6.484 -22.084 371 HE3 LYS 46 3HE LYS 46 2.818 5.462 -23.437 372 HZ1 LYS 46 3HZ LYS 46 2.115 7.228 -24.553 373 HZ2 LYS 46 1HZ LYS 46 2.798 8.210 -23.357 374 HZ3 LYS 46 2HZ LYS 46 1.169 7.768 -23.259 375 H THR 47 H THR 47 0.349 6.609 -16.952 376 HA THR 47 HA THR 47 0.766 3.707 -16.801 377 HB THR 47 HB THR 47 0.129 5.415 -14.389 378 HG1 THR 47 HG1 THR 47 2.257 5.726 -14.634 379 HG21 THR 47 3HG2 THR 47 -0.782 3.398 -13.821 380 HG22 THR 47 1HG2 THR 47 0.890 3.085 -13.359 381 HG23 THR 47 2HG2 THR 47 0.276 2.491 -14.902 382 H GLY 48 H GLY 48 -1.092 2.479 -16.628 383 HA2 GLY 48 2HA GLY 48 -3.651 3.626 -16.057 384 HA3 GLY 48 3HA GLY 48 -3.424 3.364 -17.780 385 H LEU 49 H LEU 49 -5.167 1.859 -17.724 386 HA LEU 49 HA LEU 49 -4.600 -0.660 -16.327 387 HB2 LEU 49 2HB LEU 49 -7.119 0.488 -17.499 388 HB3 LEU 49 3HB LEU 49 -6.993 -1.189 -16.973 389 HG LEU 49 HG LEU 49 -6.278 0.922 -15.011 390 HD11 LEU 49 1HD1 LEU 49 -8.334 1.767 -16.096 391 HD12 LEU 49 2HD1 LEU 49 -8.572 1.325 -14.406 392 HD13 LEU 49 3HD1 LEU 49 -9.138 0.252 -15.686 393 HD21 LEU 49 3HD2 LEU 49 -6.112 -1.495 -14.519 394 HD22 LEU 49 1HD2 LEU 49 -7.849 -1.642 -14.786 395 HD23 LEU 49 2HD2 LEU 49 -7.242 -0.652 -13.458 396 H VAL 50 H VAL 50 -4.113 -2.472 -17.409 397 HA VAL 50 HA VAL 50 -4.481 -2.497 -20.331 398 HB VAL 50 HB VAL 50 -2.347 -3.499 -20.685 399 HG11 VAL 50 1HG1 VAL 50 -1.751 -1.315 -18.716 400 HG12 VAL 50 2HG1 VAL 50 -0.924 -1.700 -20.226 401 HG13 VAL 50 3HG1 VAL 50 -2.533 -0.979 -20.260 402 HG21 VAL 50 3HG2 VAL 50 -1.011 -3.400 -18.227 403 HG22 VAL 50 1HG2 VAL 50 -2.563 -4.169 -17.897 404 HG23 VAL 50 2HG2 VAL 50 -1.492 -4.838 -19.128 405 HA PRO 51 HA PRO 51 -6.304 -6.460 -19.827 406 HB2 PRO 51 2HB PRO 51 -5.611 -7.648 -22.168 407 HB3 PRO 51 3HB PRO 51 -6.825 -6.368 -22.063 408 HG2 PRO 51 2HG PRO 51 -3.946 -6.186 -22.861 409 HG3 PRO 51 3HG PRO 51 -5.361 -5.413 -23.597 410 HD2 PRO 51 2HD PRO 51 -3.690 -4.098 -21.921 411 HD3 PRO 51 3HD PRO 51 -5.426 -3.738 -22.015 412 H GLU 52 H GLU 52 -5.855 -8.592 -19.272 413 HA GLU 52 HA GLU 52 -3.036 -9.145 -18.730 414 HB2 GLU 52 2HB GLU 52 -4.649 -9.325 -16.873 415 HB3 GLU 52 3HB GLU 52 -5.519 -10.570 -17.758 416 HG2 GLU 52 2HG GLU 52 -3.850 -12.140 -17.455 417 HG3 GLU 52 3HG GLU 52 -2.621 -10.919 -17.131 418 H GLU 53 H GLU 53 -5.719 -10.275 -20.636 419 HA GLU 53 HA GLU 53 -4.364 -12.724 -21.404 420 HB2 GLU 53 2HB GLU 53 -7.049 -11.831 -21.371 421 HB3 GLU 53 3HB GLU 53 -6.637 -12.140 -23.052 422 HG2 GLU 53 2HG GLU 53 -7.176 -14.251 -22.610 423 HG3 GLU 53 3HG GLU 53 -5.611 -14.338 -21.804 424 H PHE 54 H PHE 54 -3.647 -9.748 -22.120 425 HA PHE 54 HA PHE 54 -3.177 -10.288 -24.979 426 HB2 PHE 54 2HB PHE 54 -4.299 -7.948 -23.639 427 HB3 PHE 54 3HB PHE 54 -2.948 -7.544 -24.693 428 HD1 PHE 54 HD1 PHE 54 -5.413 -10.263 -25.174 429 HD2 PHE 54 HD2 PHE 54 -4.039 -6.440 -26.443 430 HE1 PHE 54 HE1 PHE 54 -6.907 -10.377 -27.125 431 HE2 PHE 54 HE2 PHE 54 -5.531 -6.548 -28.396 432 HZ PHE 54 HZ PHE 54 -6.969 -8.518 -28.739 433 H VAL 55 H VAL 55 -1.771 -9.915 -21.983 434 HA VAL 55 HA VAL 55 0.816 -9.169 -23.186 435 HB VAL 55 HB VAL 55 1.470 -8.425 -20.866 436 HG11 VAL 55 1HG1 VAL 55 1.001 -6.332 -21.497 437 HG12 VAL 55 2HG1 VAL 55 0.227 -7.068 -22.902 438 HG13 VAL 55 3HG1 VAL 55 -0.738 -6.625 -21.494 439 HG21 VAL 55 3HG2 VAL 55 -0.449 -7.787 -19.382 440 HG22 VAL 55 1HG2 VAL 55 -1.491 -8.760 -20.421 441 HG23 VAL 55 2HG2 VAL 55 -0.173 -9.523 -19.530 442 H SER 56 H SER 56 2.689 -9.973 -21.734 443 HA SER 56 HA SER 56 2.131 -12.586 -20.552 444 HB2 SER 56 2HB SER 56 2.659 -13.386 -22.673 445 HB3 SER 56 3HB SER 56 3.818 -12.094 -22.983 446 HG SER 56 HG SER 56 5.294 -13.103 -21.711 447 H TYR 57 H TYR 57 2.996 -12.493 -18.596 448 HA TYR 57 HA TYR 57 4.796 -10.624 -17.653 449 HB2 TYR 57 2HB TYR 57 3.844 -13.273 -16.713 450 HB3 TYR 57 3HB TYR 57 5.312 -12.653 -15.965 451 HD1 TYR 57 HD2 TYR 57 2.318 -10.774 -17.132 452 HD2 TYR 57 HD1 TYR 57 4.642 -12.061 -13.809 453 HE1 TYR 57 HE2 TYR 57 0.959 -9.364 -15.644 454 HE2 TYR 57 HE1 TYR 57 3.289 -10.656 -12.311 455 HH TYR 57 HH TYR 57 1.854 -8.708 -12.411 456 H ILE 58 H ILE 58 6.912 -10.315 -17.860 457 HA ILE 58 HA ILE 58 8.492 -12.338 -19.256 458 HB ILE 58 HB ILE 58 9.307 -9.524 -18.531 459 HG12 ILE 58 2HG1 ILE 58 8.218 -10.532 -21.166 460 HG13 ILE 58 3HG1 ILE 58 7.282 -9.610 -19.994 461 HG21 ILE 58 1HG2 ILE 58 10.696 -10.214 -20.759 462 HG22 ILE 58 2HG2 ILE 58 11.303 -10.373 -19.111 463 HG23 ILE 58 3HG2 ILE 58 10.589 -11.764 -19.925 464 HD11 ILE 58 3HD1 ILE 58 9.664 -8.177 -20.502 465 HD12 ILE 58 1HD1 ILE 58 8.983 -8.664 -22.054 466 HD13 ILE 58 2HD1 ILE 58 8.006 -7.740 -20.913 467 H GLN 59 H GLN 59 10.501 -13.075 -18.489 468 HA GLN 59 HA GLN 59 10.701 -13.071 -15.571 469 HB2 GLN 59 2HB GLN 59 12.173 -15.002 -15.851 470 HB3 GLN 59 3HB GLN 59 10.649 -15.249 -16.692 471 HG2 GLN 59 2HG GLN 59 12.751 -14.060 -18.342 472 HG3 GLN 59 3HG GLN 59 13.115 -15.680 -17.749 473 HE21 GLN 59 1HE2 GLN 59 11.087 -17.168 -17.912 474 HE22 GLN 59 2HE2 GLN 59 10.310 -17.158 -19.456 475 HA PRO 60 HA PRO 60 14.273 -10.528 -15.412 476 HB2 PRO 60 2HB PRO 60 15.620 -11.634 -13.330 477 HB3 PRO 60 3HB PRO 60 14.141 -10.688 -13.124 478 HG2 PRO 60 2HG PRO 60 14.497 -13.660 -13.180 479 HG3 PRO 60 3HG PRO 60 13.500 -12.673 -12.095 480 HD2 PRO 60 2HD PRO 60 12.467 -14.006 -14.214 481 HD3 PRO 60 3HD PRO 60 11.804 -12.462 -13.642 482 H GLU 61 H GLU 61 15.090 -13.980 -15.006 483 HA GLU 61 HA GLU 61 16.918 -13.903 -17.214 484 HB2 GLU 61 2HB GLU 61 18.130 -12.921 -15.125 485 HB3 GLU 61 3HB GLU 61 18.193 -14.594 -14.588 486 HG2 GLU 61 2HG GLU 61 19.436 -15.224 -16.553 487 HG3 GLU 61 3HG GLU 61 19.285 -13.595 -17.208 488 H LEU 62 H LEU 62 14.596 -15.404 -16.484 489 HA LEU 62 HA LEU 62 15.649 -18.071 -15.890 490 HB2 LEU 62 2HB LEU 62 12.764 -17.303 -16.240 491 HB3 LEU 62 3HB LEU 62 13.418 -18.742 -15.459 492 HG LEU 62 HG LEU 62 13.802 -15.962 -14.366 493 HD11 LEU 62 1HD1 LEU 62 11.794 -17.910 -13.307 494 HD12 LEU 62 2HD1 LEU 62 11.367 -16.794 -14.604 495 HD13 LEU 62 3HD1 LEU 62 11.910 -16.169 -13.047 496 HD21 LEU 62 3HD2 LEU 62 13.821 -18.456 -12.747 497 HD22 LEU 62 1HD2 LEU 62 14.711 -16.950 -12.519 498 HD23 LEU 62 2HD2 LEU 62 15.225 -18.099 -13.755 499 H GLU 63 H GLU 63 14.200 -19.817 -17.148 500 HA GLU 63 HA GLU 63 14.452 -19.146 -20.006 501 HB2 GLU 63 2HB GLU 63 14.881 -21.777 -18.586 502 HB3 GLU 63 3HB GLU 63 14.815 -21.612 -20.335 503 HG2 GLU 63 2HG GLU 63 16.727 -20.025 -20.189 504 HG3 GLU 63 3HG GLU 63 16.839 -20.400 -18.471 505 H1 GLY -9 H GLY -9 -7.985 2.145 -7.708 506 HA2 GLY -9 2HA GLY -9 -8.952 3.543 -5.316 507 HA3 GLY -9 3HA GLY -9 -7.221 3.501 -5.615 508 H LYS -8 H LYS -8 -7.200 3.808 -8.387 509 HA LYS -8 HA LYS -8 -8.368 6.496 -8.707 510 HB2 LYS -8 2HB LYS -8 -5.654 5.451 -9.485 511 HB3 LYS -8 3HB LYS -8 -6.347 6.874 -10.254 512 HG2 LYS -8 2HG LYS -8 -6.089 6.671 -7.275 513 HG3 LYS -8 3HG LYS -8 -4.757 7.228 -8.290 514 HD2 LYS -8 2HD LYS -8 -7.467 8.455 -8.587 515 HD3 LYS -8 3HD LYS -8 -6.420 8.953 -7.257 516 HE2 LYS -8 2HE LYS -8 -4.783 9.784 -8.706 517 HE3 LYS -8 3HE LYS -8 -5.423 8.893 -10.085 518 HZ1 LYS -8 3HZ LYS -8 -7.449 10.339 -9.870 519 HZ2 LYS -8 1HZ LYS -8 -6.044 11.127 -10.386 520 HZ3 LYS -8 2HZ LYS -8 -6.569 11.296 -8.787 521 H PHE -7 H PHE -7 -7.125 3.675 -10.485 522 HA PHE -7 HA PHE -7 -8.967 4.337 -12.680 523 HB2 PHE -7 2HB PHE -7 -6.621 2.437 -12.793 524 HB3 PHE -7 3HB PHE -7 -7.543 3.081 -14.147 525 HD1 PHE -7 HD2 PHE -7 -7.694 5.929 -13.475 526 HD2 PHE -7 HD1 PHE -7 -4.458 3.188 -13.117 527 HE1 PHE -7 HE2 PHE -7 -6.099 7.791 -13.674 528 HE2 PHE -7 HE1 PHE -7 -2.858 5.046 -13.315 529 HZ PHE -7 HZ PHE -7 -3.677 7.351 -13.595 530 H ILE -6 H ILE -6 -10.710 3.117 -12.945 531 HA ILE -6 HA ILE -6 -10.647 0.312 -12.095 532 HB ILE -6 HB ILE -6 -11.679 1.450 -10.233 533 HG12 ILE -6 2HG1 ILE -6 -14.047 0.350 -11.694 534 HG13 ILE -6 3HG1 ILE -6 -12.683 -0.711 -11.363 535 HG21 ILE -6 1HG2 ILE -6 -14.082 2.449 -11.387 536 HG22 ILE -6 2HG2 ILE -6 -12.841 3.320 -10.487 537 HG23 ILE -6 3HG2 ILE -6 -12.708 3.156 -12.238 538 HD11 ILE -6 3HD1 ILE -6 -13.246 -0.924 -9.225 539 HD12 ILE -6 1HD1 ILE -6 -13.516 0.808 -9.033 540 HD13 ILE -6 2HD1 ILE -6 -14.794 -0.216 -9.687 541 HA PRO -5 HA PRO -5 -12.406 0.032 -16.186 542 HB2 PRO -5 2HB PRO -5 -12.551 -2.679 -16.227 543 HB3 PRO -5 3HB PRO -5 -11.043 -1.793 -16.482 544 HG2 PRO -5 2HG PRO -5 -12.062 -3.122 -14.001 545 HG3 PRO -5 3HG PRO -5 -10.426 -3.134 -14.684 546 HD2 PRO -5 2HD PRO -5 -11.130 -1.531 -12.619 547 HD3 PRO -5 3HD PRO -5 -9.916 -1.058 -13.824 548 H SER -4 H SER -4 -14.409 -0.533 -17.100 549 HA SER -4 HA SER -4 -16.471 -1.477 -15.229 550 HB2 SER -4 2HB SER -4 -16.648 0.967 -15.367 551 HB3 SER -4 3HB SER -4 -16.749 0.868 -17.125 552 HG SER -4 HG SER -4 -18.632 0.081 -15.186 553 H ARG -3 H ARG -3 -15.169 -3.079 -17.087 554 HA ARG -3 HA ARG -3 -17.318 -4.244 -18.457 555 HB2 ARG -3 2HB ARG -3 -16.578 -3.817 -20.802 556 HB3 ARG -3 3HB ARG -3 -17.215 -2.395 -19.987 557 HG2 ARG -3 2HG ARG -3 -14.691 -1.965 -19.429 558 HG3 ARG -3 3HG ARG -3 -14.429 -3.013 -20.824 559 HD2 ARG -3 2HD ARG -3 -16.411 -0.828 -21.113 560 HD3 ARG -3 3HD ARG -3 -14.710 -0.371 -21.040 561 HE ARG -3 HE ARG -3 -16.047 -1.559 -23.236 562 HH11 ARG -3 1HH1 ARG -3 -13.008 -1.568 -21.536 563 HH12 ARG -3 2HH1 ARG -3 -12.084 -2.038 -22.924 564 HH21 ARG -3 1HH2 ARG -3 -14.841 -2.178 -25.070 565 HH22 ARG -3 2HH2 ARG -3 -13.128 -2.384 -24.934 566 HA PRO -2 HA PRO -2 -14.498 -7.607 -18.517 567 HB2 PRO -2 2HB PRO -2 -15.459 -9.074 -20.589 568 HB3 PRO -2 3HB PRO -2 -16.290 -8.948 -19.034 569 HG2 PRO -2 2HG PRO -2 -16.820 -7.480 -21.588 570 HG3 PRO -2 3HG PRO -2 -17.975 -8.205 -20.455 571 HD2 PRO -2 2HD PRO -2 -17.442 -5.550 -20.493 572 HD3 PRO -2 3HD PRO -2 -17.863 -6.418 -19.002 573 H ALA -1 H ALA -1 -12.499 -7.931 -19.282 574 HA ALA -1 HA ALA -1 -11.374 -6.371 -21.303 575 HB1 ALA -1 1HB ALA -1 -10.311 -7.808 -19.362 576 HB2 ALA -1 2HB ALA -1 -10.134 -8.994 -20.656 577 HB3 ALA -1 3HB ALA -1 -9.395 -7.401 -20.814 578 HA PRO 0 HA PRO 0 -12.329 -8.379 -25.089 579 HB2 PRO 0 2HB PRO 0 -10.069 -7.907 -26.516 580 HB3 PRO 0 3HB PRO 0 -11.248 -6.645 -26.140 581 HG2 PRO 0 2HG PRO 0 -8.651 -7.273 -24.790 582 HG3 PRO 0 3HG PRO 0 -9.333 -5.695 -25.226 583 HD2 PRO 0 2HD PRO 0 -9.452 -6.689 -22.710 584 HD3 PRO 0 3HD PRO 0 -10.719 -5.645 -23.385 585 H LYS 1 H LYS 1 -11.015 -9.793 -26.841 586 HA LYS 1 HA LYS 1 -9.586 -11.906 -25.370 587 HB2 LYS 1 2HB LYS 1 -11.808 -12.196 -27.388 588 HB3 LYS 1 3HB LYS 1 -10.725 -13.520 -26.981 589 HG2 LYS 1 2HG LYS 1 -11.424 -13.201 -24.581 590 HG3 LYS 1 3HG LYS 1 -12.676 -12.112 -25.182 591 HD2 LYS 1 2HD LYS 1 -13.846 -14.081 -25.128 592 HD3 LYS 1 3HD LYS 1 -13.206 -14.149 -26.772 593 HE2 LYS 1 2HE LYS 1 -11.497 -15.658 -26.142 594 HE3 LYS 1 3HE LYS 1 -11.782 -15.379 -24.425 595 HZ1 LYS 1 3HZ LYS 1 -13.137 -17.113 -24.458 596 HZ2 LYS 1 1HZ LYS 1 -12.988 -17.277 -26.135 597 HZ3 LYS 1 2HZ LYS 1 -14.179 -16.267 -25.487 598 HA PRO 2 HA PRO 2 -6.507 -11.737 -28.493 599 HB2 PRO 2 2HB PRO 2 -5.720 -14.332 -28.618 600 HB3 PRO 2 3HB PRO 2 -5.330 -13.275 -27.257 601 HG2 PRO 2 2HG PRO 2 -7.497 -15.325 -27.501 602 HG3 PRO 2 3HG PRO 2 -6.417 -14.996 -26.134 603 HD2 PRO 2 2HD PRO 2 -8.970 -14.098 -26.223 604 HD3 PRO 2 3HD PRO 2 -7.670 -13.200 -25.414 605 HA PRO 3 HA PRO 3 -8.078 -12.832 -32.451 606 HB2 PRO 3 2HB PRO 3 -5.809 -13.366 -33.843 607 HB3 PRO 3 3HB PRO 3 -6.278 -11.731 -33.362 608 HG2 PRO 3 2HG PRO 3 -4.321 -13.596 -32.076 609 HG3 PRO 3 3HG PRO 3 -4.175 -11.855 -32.379 610 HD2 PRO 3 2HD PRO 3 -4.830 -12.861 -29.952 611 HD3 PRO 3 3HD PRO 3 -5.442 -11.299 -30.535 612 H SER 4 H SER 4 -5.578 -15.070 -31.271 613 HA SER 4 HA SER 4 -6.691 -17.246 -32.841 614 HB2 SER 4 2HB SER 4 -4.305 -17.036 -31.002 615 HB3 SER 4 3HB SER 4 -4.820 -18.562 -31.720 616 HG SER 4 HG SER 4 -3.359 -17.745 -33.125 617 H SER 5 H SER 5 -7.894 -18.899 -32.079 618 HA SER 5 HA SER 5 -8.448 -18.966 -29.186 619 HB2 SER 5 2HB SER 5 -10.286 -18.018 -30.805 620 HB3 SER 5 3HB SER 5 -10.561 -19.721 -31.174 621 HG SER 5 HG SER 5 -11.330 -18.309 -29.018 622 H ALA 6 H ALA 6 -7.333 -20.734 -28.579 623 HA ALA 6 HA ALA 6 -8.217 -23.298 -29.629 624 HB1 ALA 6 1HB ALA 6 -5.758 -22.146 -30.446 625 HB2 ALA 6 2HB ALA 6 -5.397 -23.517 -29.397 626 HB3 ALA 6 3HB ALA 6 -6.405 -23.742 -30.826 Start of MODEL 17 1 H1 MET -4 H MET -4 4.583 -1.115 0.994 2 HA MET -4 HA MET -4 5.696 -1.191 -1.683 3 HB2 MET -4 2HB MET -4 6.004 -2.968 0.733 4 HB3 MET -4 3HB MET -4 6.721 -3.357 -0.825 5 HG2 MET -4 2HG MET -4 7.747 -0.977 -0.645 6 HG3 MET -4 3HG MET -4 7.393 -1.157 1.071 7 HE1 MET -4 3HE MET -4 8.713 -2.664 -1.986 8 HE2 MET -4 1HE MET -4 10.434 -2.742 -1.611 9 HE3 MET -4 2HE MET -4 9.428 -4.179 -1.434 10 H ALA -3 H ALA -3 2.951 -1.300 -1.789 11 HA ALA -3 HA ALA -3 2.065 -4.038 -1.972 12 HB1 ALA -3 1HB ALA -3 -0.059 -3.149 -2.590 13 HB2 ALA -3 2HB ALA -3 0.585 -2.136 -1.297 14 HB3 ALA -3 3HB ALA -3 0.644 -1.576 -2.969 15 H ILE -2 H ILE -2 3.206 -1.546 -4.154 16 HA ILE -2 HA ILE -2 2.382 -2.665 -6.587 17 HB ILE -2 HB ILE -2 4.846 -1.010 -6.025 18 HG12 ILE -2 2HG1 ILE -2 2.129 -0.158 -7.047 19 HG13 ILE -2 3HG1 ILE -2 2.666 0.028 -5.381 20 HG21 ILE -2 1HG2 ILE -2 3.849 -0.596 -8.636 21 HG22 ILE -2 2HG2 ILE -2 5.395 -1.293 -8.154 22 HG23 ILE -2 3HG2 ILE -2 3.994 -2.337 -8.397 23 HD11 ILE -2 3HD1 ILE -2 3.193 2.087 -6.127 24 HD12 ILE -2 1HD1 ILE -2 4.678 1.269 -6.612 25 HD13 ILE -2 2HD1 ILE -2 3.400 1.553 -7.795 26 H VAL -1 H VAL -1 2.883 -4.564 -7.436 27 HA VAL -1 HA VAL -1 4.864 -6.287 -6.453 28 HB VAL -1 HB VAL -1 3.566 -6.345 -9.181 29 HG11 VAL -1 1HG1 VAL -1 5.560 -7.749 -9.040 30 HG12 VAL -1 2HG1 VAL -1 4.912 -8.533 -7.598 31 HG13 VAL -1 3HG1 VAL -1 4.099 -8.729 -9.151 32 HG21 VAL -1 3HG2 VAL -1 2.492 -6.783 -6.555 33 HG22 VAL -1 1HG2 VAL -1 1.675 -6.821 -8.117 34 HG23 VAL -1 2HG2 VAL -1 2.442 -8.279 -7.487 35 H ASN 1 H ASN 1 4.904 -3.937 -9.063 36 HA ASN 1 HA ASN 1 6.599 -3.042 -10.287 37 HB2 ASN 1 2HB ASN 1 7.635 -3.181 -7.844 38 HB3 ASN 1 3HB ASN 1 8.690 -4.361 -8.616 39 HD21 ASN 1 1HD2 ASN 1 7.278 -1.250 -9.582 40 HD22 ASN 1 2HD2 ASN 1 8.772 -0.533 -10.071 41 H GLN 2 H GLN 2 5.518 -5.361 -11.261 42 HA GLN 2 HA GLN 2 7.834 -6.885 -12.248 43 HB2 GLN 2 2HB GLN 2 6.126 -8.218 -11.073 44 HB3 GLN 2 3HB GLN 2 4.913 -7.666 -12.221 45 HG2 GLN 2 2HG GLN 2 5.922 -9.978 -12.571 46 HG3 GLN 2 3HG GLN 2 5.822 -8.904 -13.966 47 HE21 GLN 2 1HE2 GLN 2 7.530 -9.143 -15.202 48 HE22 GLN 2 2HE2 GLN 2 9.163 -9.327 -14.667 49 H ARG 3 H ARG 3 8.315 -6.901 -14.368 50 HA ARG 3 HA ARG 3 6.885 -5.069 -16.092 51 HB2 ARG 3 2HB ARG 3 8.713 -5.238 -17.568 52 HB3 ARG 3 3HB ARG 3 9.422 -5.306 -15.959 53 HG2 ARG 3 2HG ARG 3 9.256 -7.874 -16.267 54 HG3 ARG 3 3HG ARG 3 9.115 -7.479 -17.981 55 HD2 ARG 3 2HD ARG 3 11.268 -6.807 -18.139 56 HD3 ARG 3 3HD ARG 3 11.282 -6.118 -16.516 57 HE ARG 3 HE ARG 3 12.076 -8.768 -17.278 58 HH11 ARG 3 1HH1 ARG 3 10.870 -6.789 -14.680 59 HH12 ARG 3 2HH1 ARG 3 11.486 -7.821 -13.433 60 HH21 ARG 3 1HH2 ARG 3 12.893 -10.135 -15.645 61 HH22 ARG 3 2HH2 ARG 3 12.638 -9.724 -13.983 62 H ALA 4 H ALA 4 6.318 -5.701 -18.327 63 HA ALA 4 HA ALA 4 5.786 -8.499 -18.824 64 HB1 ALA 4 1HB ALA 4 3.291 -7.170 -19.253 65 HB2 ALA 4 2HB ALA 4 3.647 -8.571 -18.242 66 HB3 ALA 4 3HB ALA 4 3.799 -6.943 -17.579 67 H VAL 5 H VAL 5 5.227 -8.940 -20.992 68 HA VAL 5 HA VAL 5 5.843 -6.726 -22.824 69 HB VAL 5 HB VAL 5 7.296 -8.750 -22.919 70 HG11 VAL 5 1HG1 VAL 5 5.399 -10.356 -24.424 71 HG12 VAL 5 2HG1 VAL 5 6.494 -10.823 -23.122 72 HG13 VAL 5 3HG1 VAL 5 4.915 -10.134 -22.743 73 HG21 VAL 5 3HG2 VAL 5 7.057 -7.262 -24.847 74 HG22 VAL 5 1HG2 VAL 5 7.284 -8.936 -25.353 75 HG23 VAL 5 2HG2 VAL 5 5.679 -8.207 -25.409 76 H ALA 6 H ALA 6 4.561 -6.301 -24.617 77 HA ALA 6 HA ALA 6 1.777 -7.045 -24.323 78 HB1 ALA 6 1HB ALA 6 3.256 -5.070 -26.017 79 HB2 ALA 6 2HB ALA 6 1.580 -5.488 -26.377 80 HB3 ALA 6 3HB ALA 6 1.998 -4.790 -24.813 81 H LEU 7 H LEU 7 1.110 -8.916 -25.147 82 HA LEU 7 HA LEU 7 2.465 -10.219 -27.312 83 HB2 LEU 7 2HB LEU 7 -0.235 -10.971 -26.242 84 HB3 LEU 7 3HB LEU 7 0.981 -12.010 -26.982 85 HG LEU 7 HG LEU 7 1.277 -10.698 -24.282 86 HD11 LEU 7 1HD1 LEU 7 0.412 -12.530 -23.264 87 HD12 LEU 7 2HD1 LEU 7 0.888 -13.619 -24.566 88 HD13 LEU 7 3HD1 LEU 7 -0.533 -12.592 -24.752 89 HD21 LEU 7 3HD2 LEU 7 3.369 -11.445 -24.292 90 HD22 LEU 7 1HD2 LEU 7 3.164 -11.837 -26.000 91 HD23 LEU 7 2HD2 LEU 7 2.847 -13.061 -24.770 92 H TYR 8 H TYR 8 -0.515 -8.389 -26.925 93 HA TYR 8 HA TYR 8 -0.686 -8.147 -29.834 94 HB2 TYR 8 2HB TYR 8 -3.215 -8.626 -28.299 95 HB3 TYR 8 3HB TYR 8 -2.897 -8.850 -30.016 96 HD1 TYR 8 HD2 TYR 8 -1.246 -10.753 -30.642 97 HD2 TYR 8 HD1 TYR 8 -3.195 -10.461 -26.871 98 HE1 TYR 8 HE2 TYR 8 -0.854 -13.151 -30.260 99 HE2 TYR 8 HE1 TYR 8 -2.807 -12.858 -26.478 100 HH TYR 8 HH TYR 8 -1.186 -14.614 -27.267 101 H ASP 9 H ASP 9 -1.654 -6.250 -30.561 102 HA ASP 9 HA ASP 9 -1.480 -4.029 -28.789 103 HB2 ASP 9 2HB ASP 9 -1.897 -2.678 -30.666 104 HB3 ASP 9 3HB ASP 9 -1.058 -4.079 -31.326 105 H PHE 10 H PHE 10 -3.047 -2.842 -27.806 106 HA PHE 10 HA PHE 10 -5.851 -3.499 -28.290 107 HB2 PHE 10 2HB PHE 10 -5.593 -4.955 -26.504 108 HB3 PHE 10 3HB PHE 10 -4.377 -3.949 -25.725 109 HD1 PHE 10 HD2 PHE 10 -7.962 -4.471 -26.253 110 HD2 PHE 10 HD1 PHE 10 -5.001 -2.139 -24.275 111 HE1 PHE 10 HE2 PHE 10 -9.692 -3.534 -24.775 112 HE2 PHE 10 HE1 PHE 10 -6.726 -1.199 -22.793 113 HZ PHE 10 HZ PHE 10 -9.075 -1.896 -23.043 114 H GLU 11 H GLU 11 -7.281 -1.846 -27.823 115 HA GLU 11 HA GLU 11 -6.029 0.720 -27.096 116 HB2 GLU 11 2HB GLU 11 -7.588 -0.001 -29.346 117 HB3 GLU 11 3HB GLU 11 -8.579 1.067 -28.362 118 HG2 GLU 11 2HG GLU 11 -7.210 2.861 -28.673 119 HG3 GLU 11 3HG GLU 11 -5.772 1.866 -28.894 120 HA PRO 12 HA PRO 12 -8.604 0.917 -23.536 121 HB2 PRO 12 2HB PRO 12 -8.671 3.608 -23.184 122 HB3 PRO 12 3HB PRO 12 -7.243 2.628 -22.829 123 HG2 PRO 12 2HG PRO 12 -7.849 4.284 -25.247 124 HG3 PRO 12 3HG PRO 12 -6.331 4.138 -24.343 125 HD2 PRO 12 2HD PRO 12 -6.773 2.823 -26.668 126 HD3 PRO 12 3HD PRO 12 -5.763 2.155 -25.370 127 H GLU 13 H GLU 13 -10.741 1.019 -23.091 128 HA GLU 13 HA GLU 13 -12.486 2.156 -25.157 129 HB2 GLU 13 2HB GLU 13 -12.713 -0.102 -23.246 130 HB3 GLU 13 3HB GLU 13 -14.192 0.781 -23.599 131 HG2 GLU 13 2HG GLU 13 -12.465 -0.168 -25.837 132 HG3 GLU 13 3HG GLU 13 -13.540 -1.296 -25.012 133 H ASN 14 H ASN 14 -11.392 2.680 -21.977 134 HA ASN 14 HA ASN 14 -13.599 4.570 -21.483 135 HB2 ASN 14 2HB ASN 14 -12.029 2.810 -19.639 136 HB3 ASN 14 3HB ASN 14 -12.672 4.331 -19.028 137 HD21 ASN 14 1HD2 ASN 14 -13.283 1.130 -19.359 138 HD22 ASN 14 2HD2 ASN 14 -15.007 1.147 -19.242 139 H ASP 15 H ASP 15 -12.791 6.319 -19.815 140 HA ASP 15 HA ASP 15 -10.514 7.609 -21.096 141 HB2 ASP 15 2HB ASP 15 -12.747 8.544 -19.328 142 HB3 ASP 15 3HB ASP 15 -11.291 9.522 -19.485 143 H ASN 16 H ASN 16 -10.339 5.334 -19.110 144 HA ASN 16 HA ASN 16 -8.287 6.572 -17.436 145 HB2 ASN 16 2HB ASN 16 -9.213 4.903 -15.591 146 HB3 ASN 16 3HB ASN 16 -9.860 6.533 -15.761 147 HD21 ASN 16 1HD2 ASN 16 -10.573 3.256 -15.697 148 HD22 ASN 16 2HD2 ASN 16 -12.213 3.341 -16.233 149 H GLU 17 H GLU 17 -8.624 4.627 -19.792 150 HA GLU 17 HA GLU 17 -7.147 2.353 -18.653 151 HB2 GLU 17 2HB GLU 17 -8.781 2.638 -21.169 152 HB3 GLU 17 3HB GLU 17 -7.693 1.282 -20.906 153 HG2 GLU 17 2HG GLU 17 -9.000 0.982 -18.692 154 HG3 GLU 17 3HG GLU 17 -10.222 1.977 -19.482 155 H LEU 18 H LEU 18 -5.456 1.413 -20.115 156 HA LEU 18 HA LEU 18 -3.945 3.583 -21.413 157 HB2 LEU 18 2HB LEU 18 -2.734 2.890 -19.517 158 HB3 LEU 18 3HB LEU 18 -3.045 1.186 -19.844 159 HG LEU 18 HG LEU 18 -1.554 1.340 -21.818 160 HD11 LEU 18 1HD1 LEU 18 -0.795 3.273 -22.599 161 HD12 LEU 18 2HD1 LEU 18 -0.185 3.743 -21.013 162 HD13 LEU 18 3HD1 LEU 18 -1.859 4.085 -21.451 163 HD21 LEU 18 3HD2 LEU 18 0.218 0.793 -20.551 164 HD22 LEU 18 1HD2 LEU 18 -0.900 1.006 -19.204 165 HD23 LEU 18 2HD2 LEU 18 0.185 2.318 -19.665 166 H ARG 19 H ARG 19 -2.831 3.141 -23.338 167 HA ARG 19 HA ARG 19 -4.079 1.097 -24.965 168 HB2 ARG 19 2HB ARG 19 -1.860 2.843 -25.953 169 HB3 ARG 19 3HB ARG 19 -3.275 2.245 -26.810 170 HG2 ARG 19 2HG ARG 19 -4.545 3.785 -25.091 171 HG3 ARG 19 3HG ARG 19 -2.985 4.609 -25.039 172 HD2 ARG 19 2HD ARG 19 -3.178 5.390 -27.153 173 HD3 ARG 19 3HD ARG 19 -4.006 3.941 -27.724 174 HE ARG 19 HE ARG 19 -5.977 5.034 -27.407 175 HH11 ARG 19 1HH1 ARG 19 -3.562 6.515 -25.383 176 HH12 ARG 19 2HH1 ARG 19 -4.618 7.766 -24.815 177 HH21 ARG 19 1HH2 ARG 19 -7.377 6.675 -26.667 178 HH22 ARG 19 2HH2 ARG 19 -6.788 7.856 -25.546 179 H LEU 20 H LEU 20 -2.862 -0.414 -26.257 180 HA LEU 20 HA LEU 20 -0.167 -1.029 -25.295 181 HB2 LEU 20 2HB LEU 20 -2.381 -2.410 -24.398 182 HB3 LEU 20 3HB LEU 20 -1.772 -3.422 -25.706 183 HG LEU 20 HG LEU 20 0.347 -3.670 -24.606 184 HD11 LEU 20 1HD1 LEU 20 1.052 -1.885 -23.456 185 HD12 LEU 20 2HD1 LEU 20 0.182 -2.606 -22.103 186 HD13 LEU 20 3HD1 LEU 20 -0.587 -1.356 -23.080 187 HD21 LEU 20 3HD2 LEU 20 -2.157 -4.277 -23.174 188 HD22 LEU 20 1HD2 LEU 20 -0.674 -4.408 -22.228 189 HD23 LEU 20 2HD2 LEU 20 -0.862 -5.349 -23.707 190 H ALA 21 H ALA 21 1.106 -2.236 -26.747 191 HA ALA 21 HA ALA 21 -0.044 -2.807 -29.377 192 HB1 ALA 21 1HB ALA 21 0.818 -0.918 -30.202 193 HB2 ALA 21 2HB ALA 21 1.829 -0.652 -28.781 194 HB3 ALA 21 3HB ALA 21 2.381 -1.726 -30.066 195 H GLU 22 H GLU 22 0.815 -4.566 -30.362 196 HA GLU 22 HA GLU 22 2.172 -6.496 -28.943 197 HB2 GLU 22 2HB GLU 22 0.950 -6.939 -31.028 198 HB3 GLU 22 3HB GLU 22 2.190 -6.088 -31.939 199 HG2 GLU 22 2HG GLU 22 3.528 -8.037 -30.430 200 HG3 GLU 22 3HG GLU 22 2.104 -8.823 -31.108 201 H GLY 23 H GLY 23 4.182 -6.651 -28.212 202 HA2 GLY 23 2HA GLY 23 6.536 -6.695 -28.488 203 HA3 GLY 23 3HA GLY 23 6.378 -5.537 -29.800 204 H ASP 24 H ASP 24 4.414 -4.286 -27.586 205 HA ASP 24 HA ASP 24 6.372 -2.347 -26.730 206 HB2 ASP 24 2HB ASP 24 3.401 -2.584 -26.218 207 HB3 ASP 24 3HB ASP 24 4.396 -1.246 -25.649 208 H ILE 25 H ILE 25 6.976 -1.885 -24.615 209 HA ILE 25 HA ILE 25 6.658 -4.130 -22.754 210 HB ILE 25 HB ILE 25 8.645 -1.855 -22.694 211 HG12 ILE 25 2HG1 ILE 25 8.728 -3.786 -24.497 212 HG13 ILE 25 3HG1 ILE 25 10.195 -3.234 -23.697 213 HG21 ILE 25 1HG2 ILE 25 8.432 -2.490 -20.475 214 HG22 ILE 25 2HG2 ILE 25 8.147 -4.182 -20.882 215 HG23 ILE 25 3HG2 ILE 25 9.765 -3.498 -21.038 216 HD11 ILE 25 3HD1 ILE 25 9.744 -5.763 -23.925 217 HD12 ILE 25 1HD1 ILE 25 10.351 -5.131 -22.395 218 HD13 ILE 25 2HD1 ILE 25 8.639 -5.519 -22.572 219 H VAL 26 H VAL 26 5.899 -3.871 -20.685 220 HA VAL 26 HA VAL 26 5.127 -1.205 -19.779 221 HB VAL 26 HB VAL 26 2.870 -2.267 -19.052 222 HG11 VAL 26 1HG1 VAL 26 1.884 -1.667 -21.308 223 HG12 VAL 26 2HG1 VAL 26 2.868 -0.426 -20.530 224 HG13 VAL 26 3HG1 VAL 26 3.539 -1.387 -21.849 225 HG21 VAL 26 3HG2 VAL 26 3.406 -4.553 -19.717 226 HG22 VAL 26 1HG2 VAL 26 2.011 -3.948 -20.611 227 HG23 VAL 26 2HG2 VAL 26 3.590 -4.032 -21.392 228 H PHE 27 H PHE 27 4.541 -1.143 -17.505 229 HA PHE 27 HA PHE 27 5.718 -3.383 -15.995 230 HB2 PHE 27 2HB PHE 27 5.712 -0.442 -15.286 231 HB3 PHE 27 3HB PHE 27 6.382 -1.729 -14.289 232 HD1 PHE 27 HD1 PHE 27 8.054 -3.316 -15.737 233 HD2 PHE 27 HD2 PHE 27 7.240 0.802 -16.438 234 HE1 PHE 27 HE1 PHE 27 10.213 -3.090 -16.895 235 HE2 PHE 27 HE2 PHE 27 9.397 1.035 -17.598 236 HZ PHE 27 HZ PHE 27 10.887 -0.913 -17.829 237 H ILE 28 H ILE 28 4.130 -4.521 -15.097 238 HA ILE 28 HA ILE 28 1.571 -3.417 -14.475 239 HB ILE 28 HB ILE 28 2.602 -6.046 -13.439 240 HG12 ILE 28 2HG1 ILE 28 3.152 -6.001 -15.802 241 HG13 ILE 28 3HG1 ILE 28 1.765 -7.056 -15.550 242 HG21 ILE 28 1HG2 ILE 28 -0.124 -4.992 -14.165 243 HG22 ILE 28 2HG2 ILE 28 0.207 -6.680 -13.779 244 HG23 ILE 28 3HG2 ILE 28 0.469 -5.430 -12.563 245 HD11 ILE 28 3HD1 ILE 28 1.997 -4.585 -17.084 246 HD12 ILE 28 1HD1 ILE 28 0.875 -5.934 -17.258 247 HD13 ILE 28 2HD1 ILE 28 0.561 -4.673 -16.065 248 H SER 29 H SER 29 1.510 -1.920 -12.896 249 HA SER 29 HA SER 29 3.154 -1.905 -10.604 250 HB2 SER 29 2HB SER 29 0.555 -0.507 -11.245 251 HB3 SER 29 3HB SER 29 1.431 -0.242 -9.737 252 HG SER 29 HG SER 29 2.339 0.261 -12.376 253 H TYR 30 H TYR 30 -0.100 -3.134 -11.195 254 HA TYR 30 HA TYR 30 0.068 -5.087 -9.175 255 HB2 TYR 30 2HB TYR 30 -1.460 -4.240 -7.518 256 HB3 TYR 30 3HB TYR 30 -0.169 -3.062 -7.728 257 HD1 TYR 30 HD2 TYR 30 -3.714 -3.785 -8.433 258 HD2 TYR 30 HD1 TYR 30 -0.622 -0.866 -8.556 259 HE1 TYR 30 HE2 TYR 30 -5.390 -2.037 -8.866 260 HE2 TYR 30 HE1 TYR 30 -2.289 0.891 -8.988 261 HH TYR 30 HH TYR 30 -4.470 1.376 -9.083 262 H LYS 31 H LYS 31 -1.758 -6.461 -9.119 263 HA LYS 31 HA LYS 31 -3.334 -6.360 -11.540 264 HB2 LYS 31 2HB LYS 31 -2.509 -8.510 -10.998 265 HB3 LYS 31 3HB LYS 31 -3.033 -8.377 -9.324 266 HG2 LYS 31 2HG LYS 31 -5.294 -8.691 -9.898 267 HG3 LYS 31 3HG LYS 31 -4.974 -8.431 -11.615 268 HD2 LYS 31 2HD LYS 31 -3.878 -10.510 -11.827 269 HD3 LYS 31 3HD LYS 31 -3.747 -10.707 -10.078 270 HE2 LYS 31 2HE LYS 31 -6.455 -10.453 -10.465 271 HE3 LYS 31 3HE LYS 31 -5.943 -11.365 -11.885 272 HZ1 LYS 31 3HZ LYS 31 -5.027 -12.167 -9.202 273 HZ2 LYS 31 1HZ LYS 31 -5.186 -13.106 -10.600 274 HZ3 LYS 31 2HZ LYS 31 -6.563 -12.624 -9.744 275 H HIS 32 H HIS 32 -5.569 -6.231 -11.675 276 HA HIS 32 HA HIS 32 -7.015 -5.556 -9.209 277 HB2 HIS 32 2HB HIS 32 -6.281 -3.521 -10.629 278 HB3 HIS 32 3HB HIS 32 -7.520 -4.048 -11.763 279 HD1 HIS 32 HD1 HIS 32 -7.392 -3.413 -8.003 280 HD2 HIS 32 HD2 HIS 32 -9.837 -2.759 -11.298 281 HE1 HIS 32 HE1 HIS 32 -9.386 -2.159 -7.122 282 H GLY 33 H GLY 33 -9.289 -5.926 -9.283 283 HA2 GLY 33 2HA GLY 33 -10.049 -8.286 -10.578 284 HA3 GLY 33 3HA GLY 33 -11.155 -7.146 -9.825 285 H GLN 34 H GLN 34 -12.405 -8.118 -11.749 286 HA GLN 34 HA GLN 34 -13.496 -7.705 -13.702 287 HB2 GLN 34 2HB GLN 34 -11.945 -5.116 -13.804 288 HB3 GLN 34 3HB GLN 34 -13.452 -5.484 -14.633 289 HG2 GLN 34 2HG GLN 34 -13.206 -5.457 -11.641 290 HG3 GLN 34 3HG GLN 34 -13.623 -4.028 -12.585 291 HE21 GLN 34 1HE2 GLN 34 -15.542 -4.237 -11.128 292 HE22 GLN 34 2HE2 GLN 34 -16.867 -5.187 -11.699 293 H GLY 35 H GLY 35 -10.504 -8.614 -13.481 294 HA2 GLY 35 2HA GLY 35 -9.026 -9.552 -14.972 295 HA3 GLY 35 3HA GLY 35 -10.228 -9.286 -16.226 296 H TRP 36 H TRP 36 -8.948 -6.690 -14.266 297 HA TRP 36 HA TRP 36 -7.418 -5.743 -16.600 298 HB2 TRP 36 2HB TRP 36 -9.184 -4.161 -14.727 299 HB3 TRP 36 3HB TRP 36 -8.024 -3.412 -15.822 300 HD1 TRP 36 HD1 TRP 36 -11.504 -4.778 -15.701 301 HE1 TRP 36 HE1 TRP 36 -12.578 -4.644 -18.036 302 HE3 TRP 36 HE3 TRP 36 -7.341 -3.647 -18.444 303 HZ2 TRP 36 HZ2 TRP 36 -11.768 -4.128 -20.690 304 HZ3 TRP 36 HZ3 TRP 36 -7.576 -3.351 -20.876 305 HH2 TRP 36 HH2 TRP 36 -9.744 -3.587 -21.973 306 H LEU 37 H LEU 37 -5.395 -4.997 -16.231 307 HA LEU 37 HA LEU 37 -4.502 -4.867 -13.426 308 HB2 LEU 37 2HB LEU 37 -2.588 -5.516 -15.607 309 HB3 LEU 37 3HB LEU 37 -2.563 -5.988 -13.909 310 HG LEU 37 HG LEU 37 -4.248 -7.183 -16.105 311 HD11 LEU 37 1HD1 LEU 37 -1.716 -7.885 -14.799 312 HD12 LEU 37 2HD1 LEU 37 -2.351 -8.349 -16.377 313 HD13 LEU 37 3HD1 LEU 37 -2.880 -9.203 -14.928 314 HD21 LEU 37 3HD2 LEU 37 -4.416 -8.725 -13.769 315 HD22 LEU 37 1HD2 LEU 37 -5.701 -7.799 -14.545 316 HD23 LEU 37 2HD2 LEU 37 -4.723 -7.058 -13.277 317 H VAL 38 H VAL 38 -3.440 -3.082 -12.794 318 HA VAL 38 HA VAL 38 -3.288 -0.853 -14.612 319 HB VAL 38 HB VAL 38 -2.375 -1.039 -11.737 320 HG11 VAL 38 1HG1 VAL 38 -2.783 1.296 -13.593 321 HG12 VAL 38 2HG1 VAL 38 -2.656 1.460 -11.841 322 HG13 VAL 38 3HG1 VAL 38 -1.301 0.813 -12.768 323 HG21 VAL 38 3HG2 VAL 38 -4.629 0.462 -11.700 324 HG22 VAL 38 1HG2 VAL 38 -5.017 -0.688 -12.979 325 HG23 VAL 38 2HG2 VAL 38 -4.586 -1.270 -11.371 326 H ALA 39 H ALA 39 -1.660 -0.733 -16.013 327 HA ALA 39 HA ALA 39 1.068 -1.209 -15.013 328 HB1 ALA 39 1HB ALA 39 -0.131 -2.904 -16.743 329 HB2 ALA 39 2HB ALA 39 0.625 -1.772 -17.866 330 HB3 ALA 39 3HB ALA 39 1.609 -2.624 -16.676 331 H GLU 40 H GLU 40 2.746 -0.071 -16.222 332 HA GLU 40 HA GLU 40 1.728 2.416 -17.431 333 HB2 GLU 40 2HB GLU 40 3.577 3.605 -16.491 334 HB3 GLU 40 3HB GLU 40 2.838 2.672 -15.198 335 HG2 GLU 40 2HG GLU 40 4.809 1.019 -16.300 336 HG3 GLU 40 3HG GLU 40 5.532 2.622 -16.170 337 H ASN 41 H ASN 41 3.063 3.399 -19.073 338 HA ASN 41 HA ASN 41 4.020 1.503 -20.963 339 HB2 ASN 41 2HB ASN 41 4.176 3.276 -22.449 340 HB3 ASN 41 3HB ASN 41 2.963 3.876 -21.321 341 HD21 ASN 41 1HD2 ASN 41 4.460 4.676 -19.208 342 HD22 ASN 41 2HD2 ASN 41 5.501 5.973 -19.674 343 H GLU 42 H GLU 42 6.228 2.385 -22.134 344 HA GLU 42 HA GLU 42 8.298 1.534 -20.383 345 HB2 GLU 42 2HB GLU 42 8.048 1.468 -23.034 346 HB3 GLU 42 3HB GLU 42 8.955 2.969 -22.909 347 HG2 GLU 42 2HG GLU 42 10.521 1.532 -21.379 348 HG3 GLU 42 3HG GLU 42 9.785 0.190 -22.252 349 H SER 43 H SER 43 7.265 4.672 -21.606 350 HA SER 43 HA SER 43 9.427 6.226 -20.801 351 HB2 SER 43 2HB SER 43 7.236 6.833 -22.129 352 HB3 SER 43 3HB SER 43 6.643 7.299 -20.535 353 HG SER 43 HG SER 43 7.832 9.020 -20.640 354 H GLY 44 H GLY 44 6.999 4.667 -18.920 355 HA2 GLY 44 2HA GLY 44 6.784 4.444 -16.640 356 HA3 GLY 44 3HA GLY 44 8.323 5.277 -16.479 357 H SER 45 H SER 45 6.159 7.083 -18.306 358 HA SER 45 HA SER 45 5.551 8.760 -15.966 359 HB2 SER 45 2HB SER 45 6.017 10.588 -17.209 360 HB3 SER 45 3HB SER 45 6.813 9.460 -18.306 361 HG SER 45 HG SER 45 4.394 10.795 -18.568 362 H LYS 46 H LYS 46 4.179 6.858 -18.466 363 HA LYS 46 HA LYS 46 1.501 7.938 -17.892 364 HB2 LYS 46 2HB LYS 46 1.450 8.053 -20.146 365 HB3 LYS 46 3HB LYS 46 2.790 6.928 -20.329 366 HG2 LYS 46 2HG LYS 46 1.375 5.057 -20.221 367 HG3 LYS 46 3HG LYS 46 0.029 6.010 -19.592 368 HD2 LYS 46 2HD LYS 46 -0.664 5.968 -21.738 369 HD3 LYS 46 3HD LYS 46 0.490 7.290 -21.928 370 HE2 LYS 46 2HE LYS 46 2.140 5.848 -22.811 371 HE3 LYS 46 3HE LYS 46 1.259 4.407 -22.306 372 HZ1 LYS 46 3HZ LYS 46 -0.077 4.491 -24.096 373 HZ2 LYS 46 1HZ LYS 46 1.189 5.385 -24.776 374 HZ3 LYS 46 2HZ LYS 46 -0.151 6.181 -24.121 375 H THR 47 H THR 47 0.180 6.743 -16.699 376 HA THR 47 HA THR 47 0.568 3.826 -16.643 377 HB THR 47 HB THR 47 -0.267 5.369 -14.196 378 HG1 THR 47 HG1 THR 47 1.847 5.502 -13.591 379 HG21 THR 47 3HG2 THR 47 0.859 3.238 -13.196 380 HG22 THR 47 1HG2 THR 47 0.604 2.572 -14.808 381 HG23 THR 47 2HG2 THR 47 -0.772 3.134 -13.858 382 H GLY 48 H GLY 48 -1.254 2.604 -16.723 383 HA2 GLY 48 2HA GLY 48 -3.848 3.712 -16.112 384 HA3 GLY 48 3HA GLY 48 -3.579 3.456 -17.829 385 H LEU 49 H LEU 49 -5.340 1.948 -17.765 386 HA LEU 49 HA LEU 49 -4.771 -0.572 -16.375 387 HB2 LEU 49 2HB LEU 49 -7.295 0.334 -17.752 388 HB3 LEU 49 3HB LEU 49 -7.095 -1.146 -16.817 389 HG LEU 49 HG LEU 49 -6.619 1.486 -15.492 390 HD11 LEU 49 1HD1 LEU 49 -9.313 0.294 -16.116 391 HD12 LEU 49 2HD1 LEU 49 -8.714 1.893 -16.556 392 HD13 LEU 49 3HD1 LEU 49 -9.036 1.506 -14.866 393 HD21 LEU 49 3HD2 LEU 49 -8.048 -0.833 -14.297 394 HD22 LEU 49 1HD2 LEU 49 -6.943 0.323 -13.553 395 HD23 LEU 49 2HD2 LEU 49 -6.310 -0.969 -14.573 396 H VAL 50 H VAL 50 -4.416 -2.452 -17.443 397 HA VAL 50 HA VAL 50 -4.696 -2.480 -20.364 398 HB VAL 50 HB VAL 50 -2.528 -3.427 -20.712 399 HG11 VAL 50 1HG1 VAL 50 -1.766 -1.262 -18.838 400 HG12 VAL 50 2HG1 VAL 50 -1.316 -1.513 -20.526 401 HG13 VAL 50 3HG1 VAL 50 -2.903 -0.856 -20.124 402 HG21 VAL 50 3HG2 VAL 50 -2.185 -3.339 -17.716 403 HG22 VAL 50 1HG2 VAL 50 -2.376 -4.787 -18.704 404 HG23 VAL 50 2HG2 VAL 50 -0.934 -3.786 -18.876 405 HA PRO 51 HA PRO 51 -6.377 -6.497 -19.800 406 HB2 PRO 51 2HB PRO 51 -5.664 -7.685 -22.134 407 HB3 PRO 51 3HB PRO 51 -6.921 -6.447 -22.031 408 HG2 PRO 51 2HG PRO 51 -4.057 -6.175 -22.858 409 HG3 PRO 51 3HG PRO 51 -5.505 -5.459 -23.589 410 HD2 PRO 51 2HD PRO 51 -3.866 -4.068 -21.943 411 HD3 PRO 51 3HD PRO 51 -5.614 -3.770 -22.025 412 H GLU 52 H GLU 52 -5.825 -8.482 -19.016 413 HA GLU 52 HA GLU 52 -2.990 -8.971 -18.583 414 HB2 GLU 52 2HB GLU 52 -4.584 -9.140 -16.698 415 HB3 GLU 52 3HB GLU 52 -5.398 -10.462 -17.524 416 HG2 GLU 52 2HG GLU 52 -2.481 -10.618 -16.883 417 HG3 GLU 52 3HG GLU 52 -3.702 -11.007 -15.673 418 H GLU 53 H GLU 53 -5.658 -10.231 -20.420 419 HA GLU 53 HA GLU 53 -4.270 -12.680 -21.113 420 HB2 GLU 53 2HB GLU 53 -6.955 -11.848 -21.089 421 HB3 GLU 53 3HB GLU 53 -6.555 -12.113 -22.781 422 HG2 GLU 53 2HG GLU 53 -5.715 -14.368 -22.169 423 HG3 GLU 53 3HG GLU 53 -6.299 -14.090 -20.529 424 H PHE 54 H PHE 54 -3.590 -9.712 -21.922 425 HA PHE 54 HA PHE 54 -3.079 -10.343 -24.755 426 HB2 PHE 54 2HB PHE 54 -4.244 -7.974 -23.505 427 HB3 PHE 54 3HB PHE 54 -2.889 -7.589 -24.561 428 HD1 PHE 54 HD1 PHE 54 -5.309 -10.359 -24.972 429 HD2 PHE 54 HD2 PHE 54 -3.985 -6.557 -26.354 430 HE1 PHE 54 HE1 PHE 54 -6.785 -10.560 -26.931 431 HE2 PHE 54 HE2 PHE 54 -5.459 -6.752 -28.314 432 HZ PHE 54 HZ PHE 54 -6.862 -8.755 -28.604 433 H VAL 55 H VAL 55 -1.715 -9.822 -21.753 434 HA VAL 55 HA VAL 55 0.878 -9.101 -22.959 435 HB VAL 55 HB VAL 55 1.503 -8.228 -20.689 436 HG11 VAL 55 1HG1 VAL 55 -0.814 -6.583 -21.460 437 HG12 VAL 55 2HG1 VAL 55 0.890 -6.150 -21.311 438 HG13 VAL 55 3HG1 VAL 55 0.311 -6.972 -22.761 439 HG21 VAL 55 3HG2 VAL 55 -0.431 -7.589 -19.217 440 HG22 VAL 55 1HG2 VAL 55 -1.439 -8.652 -20.200 441 HG23 VAL 55 2HG2 VAL 55 -0.084 -9.317 -19.286 442 H SER 56 H SER 56 2.771 -9.900 -21.662 443 HA SER 56 HA SER 56 2.217 -12.455 -20.326 444 HB2 SER 56 2HB SER 56 2.791 -13.044 -22.607 445 HB3 SER 56 3HB SER 56 4.223 -12.017 -22.550 446 HG SER 56 HG SER 56 5.259 -13.597 -21.650 447 H TYR 57 H TYR 57 3.088 -12.407 -18.374 448 HA TYR 57 HA TYR 57 4.838 -10.443 -17.443 449 HB2 TYR 57 2HB TYR 57 3.843 -13.048 -16.413 450 HB3 TYR 57 3HB TYR 57 5.268 -12.371 -15.633 451 HD1 TYR 57 HD1 TYR 57 2.230 -10.699 -17.012 452 HD2 TYR 57 HD2 TYR 57 4.578 -11.564 -13.571 453 HE1 TYR 57 HE1 TYR 57 0.788 -9.229 -15.667 454 HE2 TYR 57 HE2 TYR 57 3.142 -10.097 -12.216 455 HH TYR 57 HH TYR 57 1.424 -8.695 -12.212 456 H ILE 58 H ILE 58 6.949 -10.152 -17.676 457 HA ILE 58 HA ILE 58 8.546 -12.215 -18.953 458 HB ILE 58 HB ILE 58 9.467 -9.472 -18.108 459 HG12 ILE 58 2HG1 ILE 58 8.263 -10.304 -20.757 460 HG13 ILE 58 3HG1 ILE 58 7.463 -9.303 -19.550 461 HG21 ILE 58 1HG2 ILE 58 11.291 -10.910 -18.632 462 HG22 ILE 58 2HG2 ILE 58 10.488 -11.496 -20.088 463 HG23 ILE 58 3HG2 ILE 58 11.062 -9.830 -20.008 464 HD11 ILE 58 3HD1 ILE 58 9.158 -8.503 -21.656 465 HD12 ILE 58 1HD1 ILE 58 8.376 -7.500 -20.434 466 HD13 ILE 58 2HD1 ILE 58 9.989 -8.150 -20.141 467 H GLN 59 H GLN 59 10.576 -12.932 -18.128 468 HA GLN 59 HA GLN 59 10.700 -12.874 -15.188 469 HB2 GLN 59 2HB GLN 59 11.843 -15.029 -15.318 470 HB3 GLN 59 3HB GLN 59 10.283 -15.099 -16.126 471 HG2 GLN 59 2HG GLN 59 12.385 -14.365 -17.962 472 HG3 GLN 59 3HG GLN 59 12.735 -15.889 -17.149 473 HE21 GLN 59 1HE2 GLN 59 12.487 -16.950 -19.158 474 HE22 GLN 59 2HE2 GLN 59 10.918 -17.283 -19.799 475 HA PRO 60 HA PRO 60 14.630 -10.926 -15.268 476 HB2 PRO 60 2HB PRO 60 15.835 -12.067 -13.119 477 HB3 PRO 60 3HB PRO 60 14.527 -10.887 -12.973 478 HG2 PRO 60 2HG PRO 60 14.412 -13.873 -12.796 479 HG3 PRO 60 3HG PRO 60 13.607 -12.660 -11.783 480 HD2 PRO 60 2HD PRO 60 12.329 -13.972 -13.777 481 HD3 PRO 60 3HD PRO 60 11.930 -12.303 -13.323 482 H GLU 61 H GLU 61 15.761 -13.935 -13.872 483 HA GLU 61 HA GLU 61 17.095 -14.666 -16.374 484 HB2 GLU 61 2HB GLU 61 18.439 -14.003 -13.772 485 HB3 GLU 61 3HB GLU 61 19.175 -15.143 -14.891 486 HG2 GLU 61 2HG GLU 61 19.466 -13.515 -16.542 487 HG3 GLU 61 3HG GLU 61 18.333 -12.406 -15.771 488 H LEU 62 H LEU 62 14.873 -15.879 -15.166 489 HA LEU 62 HA LEU 62 16.025 -18.490 -14.470 490 HB2 LEU 62 2HB LEU 62 13.976 -18.775 -12.968 491 HB3 LEU 62 3HB LEU 62 15.307 -17.782 -12.378 492 HG LEU 62 HG LEU 62 13.963 -15.776 -13.185 493 HD11 LEU 62 1HD1 LEU 62 11.519 -16.157 -13.299 494 HD12 LEU 62 2HD1 LEU 62 11.822 -17.894 -13.307 495 HD13 LEU 62 3HD1 LEU 62 12.404 -16.891 -14.636 496 HD21 LEU 62 3HD2 LEU 62 14.069 -17.061 -10.789 497 HD22 LEU 62 1HD2 LEU 62 12.331 -17.008 -11.086 498 HD23 LEU 62 2HD2 LEU 62 13.268 -15.514 -11.069 499 H GLU 63 H GLU 63 14.006 -20.131 -14.433 500 HA GLU 63 HA GLU 63 12.267 -19.580 -16.724 501 HB2 GLU 63 2HB GLU 63 14.351 -20.803 -17.473 502 HB3 GLU 63 3HB GLU 63 13.822 -22.156 -16.483 503 HG2 GLU 63 2HG GLU 63 13.064 -22.728 -18.584 504 HG3 GLU 63 3HG GLU 63 11.638 -22.009 -17.838 505 H1 GLY -9 H GLY -9 -6.326 1.997 -6.900 506 HA2 GLY -9 2HA GLY -9 -8.086 3.632 -5.805 507 HA3 GLY -9 3HA GLY -9 -6.453 4.202 -6.118 508 H LYS -8 H LYS -8 -6.241 4.771 -8.640 509 HA LYS -8 HA LYS -8 -8.213 6.877 -9.050 510 HB2 LYS -8 2HB LYS -8 -5.508 6.289 -10.228 511 HB3 LYS -8 3HB LYS -8 -6.577 7.485 -10.950 512 HG2 LYS -8 2HG LYS -8 -6.469 8.882 -9.079 513 HG3 LYS -8 3HG LYS -8 -5.828 7.600 -8.050 514 HD2 LYS -8 2HD LYS -8 -4.276 8.488 -10.444 515 HD3 LYS -8 3HD LYS -8 -4.244 9.464 -8.973 516 HE2 LYS -8 2HE LYS -8 -3.627 7.335 -7.745 517 HE3 LYS -8 3HE LYS -8 -3.377 6.604 -9.329 518 HZ1 LYS -8 3HZ LYS -8 -1.299 7.364 -9.030 519 HZ2 LYS -8 1HZ LYS -8 -1.758 8.546 -7.909 520 HZ3 LYS -8 2HZ LYS -8 -1.940 8.836 -9.566 521 H PHE -7 H PHE -7 -6.896 4.052 -10.724 522 HA PHE -7 HA PHE -7 -8.749 4.392 -12.934 523 HB2 PHE -7 2HB PHE -7 -6.879 2.069 -12.466 524 HB3 PHE -7 3HB PHE -7 -7.599 2.584 -13.988 525 HD1 PHE -7 HD2 PHE -7 -7.100 5.441 -14.027 526 HD2 PHE -7 HD1 PHE -7 -4.596 2.263 -12.707 527 HE1 PHE -7 HE2 PHE -7 -5.115 6.813 -14.503 528 HE2 PHE -7 HE1 PHE -7 -2.606 3.630 -13.180 529 HZ PHE -7 HZ PHE -7 -2.863 5.908 -14.080 530 H ILE -6 H ILE -6 -10.602 3.298 -13.225 531 HA ILE -6 HA ILE -6 -11.168 0.935 -11.610 532 HB ILE -6 HB ILE -6 -12.949 3.373 -11.608 533 HG12 ILE -6 2HG1 ILE -6 -10.996 3.470 -10.074 534 HG13 ILE -6 3HG1 ILE -6 -12.534 3.438 -9.219 535 HG21 ILE -6 1HG2 ILE -6 -14.194 1.837 -9.897 536 HG22 ILE -6 2HG2 ILE -6 -14.487 1.665 -11.627 537 HG23 ILE -6 3HG2 ILE -6 -13.410 0.541 -10.799 538 HD11 ILE -6 3HD1 ILE -6 -12.001 1.568 -8.152 539 HD12 ILE -6 1HD1 ILE -6 -11.456 0.782 -9.633 540 HD13 ILE -6 2HD1 ILE -6 -10.357 1.828 -8.734 541 HA PRO -5 HA PRO -5 -12.614 0.412 -15.930 542 HB2 PRO -5 2HB PRO -5 -12.028 -2.238 -16.021 543 HB3 PRO -5 3HB PRO -5 -10.831 -0.977 -16.341 544 HG2 PRO -5 2HG PRO -5 -11.307 -2.545 -13.836 545 HG3 PRO -5 3HG PRO -5 -9.771 -2.113 -14.610 546 HD2 PRO -5 2HD PRO -5 -10.755 -0.770 -12.474 547 HD3 PRO -5 3HD PRO -5 -9.786 0.020 -13.735 548 H SER -4 H SER -4 -14.606 -0.232 -16.557 549 HA SER -4 HA SER -4 -16.107 -2.053 -14.805 550 HB2 SER -4 2HB SER -4 -16.897 0.124 -14.189 551 HB3 SER -4 3HB SER -4 -17.038 0.616 -15.877 552 HG SER -4 HG SER -4 -19.049 -0.010 -14.856 553 H ARG -3 H ARG -3 -15.213 -3.395 -16.692 554 HA ARG -3 HA ARG -3 -17.336 -4.139 -18.356 555 HB2 ARG -3 2HB ARG -3 -16.350 -3.507 -20.568 556 HB3 ARG -3 3HB ARG -3 -16.944 -2.146 -19.626 557 HG2 ARG -3 2HG ARG -3 -14.572 -1.793 -18.856 558 HG3 ARG -3 3HG ARG -3 -14.092 -2.979 -20.071 559 HD2 ARG -3 2HD ARG -3 -15.396 -0.302 -20.489 560 HD3 ARG -3 3HD ARG -3 -13.828 -0.856 -21.077 561 HE ARG -3 HE ARG -3 -16.367 -1.265 -22.314 562 HH11 ARG -3 1HH1 ARG -3 -13.204 -2.649 -21.870 563 HH12 ARG -3 2HH1 ARG -3 -13.251 -3.558 -23.344 564 HH21 ARG -3 1HH2 ARG -3 -16.441 -2.456 -24.258 565 HH22 ARG -3 2HH2 ARG -3 -15.093 -3.447 -24.702 566 HA PRO -2 HA PRO -2 -14.857 -7.748 -18.665 567 HB2 PRO -2 2HB PRO -2 -15.784 -8.836 -20.972 568 HB3 PRO -2 3HB PRO -2 -16.722 -8.818 -19.474 569 HG2 PRO -2 2HG PRO -2 -16.900 -6.996 -21.843 570 HG3 PRO -2 3HG PRO -2 -18.207 -7.730 -20.895 571 HD2 PRO -2 2HD PRO -2 -17.420 -5.163 -20.548 572 HD3 PRO -2 3HD PRO -2 -18.042 -6.159 -19.217 573 H ALA -1 H ALA -1 -12.820 -8.103 -19.283 574 HA ALA -1 HA ALA -1 -11.552 -6.470 -21.238 575 HB1 ALA -1 1HB ALA -1 -9.552 -7.823 -20.755 576 HB2 ALA -1 2HB ALA -1 -10.337 -7.233 -19.289 577 HB3 ALA -1 3HB ALA -1 -10.544 -8.912 -19.785 578 HA PRO 0 HA PRO 0 -12.059 -8.825 -24.911 579 HB2 PRO 0 2HB PRO 0 -9.744 -8.240 -26.204 580 HB3 PRO 0 3HB PRO 0 -11.060 -7.075 -26.016 581 HG2 PRO 0 2HG PRO 0 -8.533 -7.349 -24.435 582 HG3 PRO 0 3HG PRO 0 -9.319 -5.880 -25.043 583 HD2 PRO 0 2HD PRO 0 -9.546 -6.697 -22.471 584 HD3 PRO 0 3HD PRO 0 -10.846 -5.832 -23.317 585 H LYS 1 H LYS 1 -10.880 -10.443 -26.328 586 HA LYS 1 HA LYS 1 -9.149 -12.169 -24.679 587 HB2 LYS 1 2HB LYS 1 -11.689 -12.735 -25.924 588 HB3 LYS 1 3HB LYS 1 -10.442 -13.785 -26.586 589 HG2 LYS 1 2HG LYS 1 -10.230 -14.950 -24.680 590 HG3 LYS 1 3HG LYS 1 -10.418 -13.521 -23.662 591 HD2 LYS 1 2HD LYS 1 -12.276 -15.049 -23.323 592 HD3 LYS 1 3HD LYS 1 -12.841 -13.560 -24.085 593 HE2 LYS 1 2HE LYS 1 -12.044 -15.764 -25.890 594 HE3 LYS 1 3HE LYS 1 -13.517 -16.003 -24.952 595 HZ1 LYS 1 3HZ LYS 1 -12.930 -13.886 -26.931 596 HZ2 LYS 1 1HZ LYS 1 -14.185 -13.727 -25.807 597 HZ3 LYS 1 2HZ LYS 1 -14.207 -14.996 -26.925 598 HA PRO 2 HA PRO 2 -6.205 -12.154 -27.936 599 HB2 PRO 2 2HB PRO 2 -5.151 -14.645 -27.704 600 HB3 PRO 2 3HB PRO 2 -4.831 -13.354 -26.539 601 HG2 PRO 2 2HG PRO 2 -6.774 -15.625 -26.365 602 HG3 PRO 2 3HG PRO 2 -5.692 -14.980 -25.117 603 HD2 PRO 2 2HD PRO 2 -8.328 -14.368 -25.218 604 HD3 PRO 2 3HD PRO 2 -7.105 -13.229 -24.619 605 HA PRO 3 HA PRO 3 -7.873 -13.967 -31.582 606 HB2 PRO 3 2HB PRO 3 -5.635 -14.267 -33.090 607 HB3 PRO 3 3HB PRO 3 -6.368 -12.692 -32.761 608 HG2 PRO 3 2HG PRO 3 -4.023 -14.004 -31.440 609 HG3 PRO 3 3HG PRO 3 -4.220 -12.317 -31.951 610 HD2 PRO 3 2HD PRO 3 -4.526 -13.104 -29.379 611 HD3 PRO 3 3HD PRO 3 -5.451 -11.762 -30.083 612 H SER 4 H SER 4 -7.069 -15.790 -33.289 613 HA SER 4 HA SER 4 -7.134 -18.236 -31.765 614 HB2 SER 4 2HB SER 4 -8.533 -18.158 -33.707 615 HB3 SER 4 3HB SER 4 -7.186 -17.664 -34.733 616 HG SER 4 HG SER 4 -7.625 -20.178 -33.509 617 H SER 5 H SER 5 -5.614 -19.898 -31.808 618 HA SER 5 HA SER 5 -3.040 -19.377 -33.087 619 HB2 SER 5 2HB SER 5 -2.969 -18.441 -30.747 620 HB3 SER 5 3HB SER 5 -3.219 -20.082 -30.151 621 HG SER 5 HG SER 5 -0.961 -19.244 -30.390 622 H ALA 6 H ALA 6 -2.369 -21.150 -34.085 623 HA ALA 6 HA ALA 6 -2.952 -23.773 -32.917 624 HB1 ALA 6 1HB ALA 6 -3.309 -23.423 -35.861 625 HB2 ALA 6 2HB ALA 6 -3.978 -24.651 -34.785 626 HB3 ALA 6 3HB ALA 6 -4.626 -23.011 -34.762 Start of MODEL 18 1 H1 MET -4 H MET -4 -3.373 -2.837 0.378 2 HA MET -4 HA MET -4 -1.687 -1.397 -1.102 3 HB2 MET -4 2HB MET -4 -2.097 -1.423 1.487 4 HB3 MET -4 3HB MET -4 -0.613 -2.365 1.520 5 HG2 MET -4 2HG MET -4 0.542 -0.541 0.342 6 HG3 MET -4 3HG MET -4 -0.943 0.405 0.395 7 HE1 MET -4 3HE MET -4 -1.256 1.630 3.944 8 HE2 MET -4 1HE MET -4 -1.431 2.071 2.245 9 HE3 MET -4 2HE MET -4 -2.237 0.632 2.869 10 H ALA -3 H ALA -3 -1.426 -3.654 -2.493 11 HA ALA -3 HA ALA -3 1.388 -4.424 -2.071 12 HB1 ALA -3 1HB ALA -3 0.258 -6.491 -3.530 13 HB2 ALA -3 2HB ALA -3 0.677 -6.518 -1.816 14 HB3 ALA -3 3HB ALA -3 -0.962 -6.100 -2.317 15 H ILE -2 H ILE -2 2.631 -3.650 -3.634 16 HA ILE -2 HA ILE -2 1.514 -3.452 -6.355 17 HB ILE -2 HB ILE -2 3.501 -1.604 -5.030 18 HG12 ILE -2 2HG1 ILE -2 0.791 -0.945 -6.183 19 HG13 ILE -2 3HG1 ILE -2 1.025 -1.367 -4.491 20 HG21 ILE -2 1HG2 ILE -2 2.479 -1.656 -7.865 21 HG22 ILE -2 2HG2 ILE -2 3.411 -0.338 -7.154 22 HG23 ILE -2 3HG2 ILE -2 4.136 -1.936 -7.331 23 HD11 ILE -2 3HD1 ILE -2 1.747 1.094 -5.954 24 HD12 ILE -2 1HD1 ILE -2 1.146 0.880 -4.310 25 HD13 ILE -2 2HD1 ILE -2 2.842 0.562 -4.678 26 H VAL -1 H VAL -1 2.462 -4.780 -7.740 27 HA VAL -1 HA VAL -1 5.221 -5.654 -7.203 28 HB VAL -1 HB VAL -1 3.196 -7.031 -8.968 29 HG11 VAL -1 1HG1 VAL -1 5.937 -7.737 -7.969 30 HG12 VAL -1 2HG1 VAL -1 4.800 -8.974 -8.511 31 HG13 VAL -1 3HG1 VAL -1 5.335 -7.716 -9.626 32 HG21 VAL -1 3HG2 VAL -1 3.687 -7.195 -6.044 33 HG22 VAL -1 1HG2 VAL -1 2.189 -7.385 -6.954 34 HG23 VAL -1 2HG2 VAL -1 3.366 -8.697 -6.911 35 H ASN 1 H ASN 1 6.790 -5.149 -8.597 36 HA ASN 1 HA ASN 1 6.084 -3.638 -10.986 37 HB2 ASN 1 2HB ASN 1 8.905 -4.166 -10.112 38 HB3 ASN 1 3HB ASN 1 8.244 -2.762 -10.946 39 HD21 ASN 1 1HD2 ASN 1 6.357 -1.758 -9.535 40 HD22 ASN 1 2HD2 ASN 1 6.822 -1.411 -7.908 41 H GLN 2 H GLN 2 5.251 -5.965 -11.637 42 HA GLN 2 HA GLN 2 7.397 -7.524 -12.868 43 HB2 GLN 2 2HB GLN 2 5.572 -8.625 -11.516 44 HB3 GLN 2 3HB GLN 2 4.450 -8.173 -12.793 45 HG2 GLN 2 2HG GLN 2 5.075 -10.431 -13.150 46 HG3 GLN 2 3HG GLN 2 5.866 -9.460 -14.390 47 HE21 GLN 2 1HE2 GLN 2 7.498 -10.910 -14.773 48 HE22 GLN 2 2HE2 GLN 2 8.752 -11.242 -13.633 49 H ARG 3 H ARG 3 7.841 -7.427 -14.971 50 HA ARG 3 HA ARG 3 6.325 -5.642 -16.659 51 HB2 ARG 3 2HB ARG 3 8.087 -5.871 -18.235 52 HB3 ARG 3 3HB ARG 3 8.846 -5.814 -16.649 53 HG2 ARG 3 2HG ARG 3 8.509 -8.488 -16.980 54 HG3 ARG 3 3HG ARG 3 8.792 -7.959 -18.640 55 HD2 ARG 3 2HD ARG 3 10.938 -8.363 -17.887 56 HD3 ARG 3 3HD ARG 3 10.767 -6.631 -17.607 57 HE ARG 3 HE ARG 3 10.001 -8.151 -15.323 58 HH11 ARG 3 1HH1 ARG 3 12.754 -6.938 -17.076 59 HH12 ARG 3 2HH1 ARG 3 13.789 -6.906 -15.686 60 HH21 ARG 3 1HH2 ARG 3 11.354 -8.113 -13.487 61 HH22 ARG 3 2HH2 ARG 3 12.991 -7.575 -13.646 62 H ALA 4 H ALA 4 5.726 -6.313 -18.895 63 HA ALA 4 HA ALA 4 5.157 -9.114 -19.320 64 HB1 ALA 4 1HB ALA 4 3.228 -7.589 -18.014 65 HB2 ALA 4 2HB ALA 4 2.672 -7.693 -19.685 66 HB3 ALA 4 3HB ALA 4 3.003 -9.166 -18.773 67 H VAL 5 H VAL 5 4.463 -9.580 -21.466 68 HA VAL 5 HA VAL 5 5.126 -7.433 -23.359 69 HB VAL 5 HB VAL 5 6.461 -9.540 -23.462 70 HG11 VAL 5 1HG1 VAL 5 4.125 -10.835 -23.085 71 HG12 VAL 5 2HG1 VAL 5 4.289 -10.978 -24.837 72 HG13 VAL 5 3HG1 VAL 5 5.563 -11.584 -23.778 73 HG21 VAL 5 3HG2 VAL 5 6.465 -9.684 -25.855 74 HG22 VAL 5 1HG2 VAL 5 4.821 -9.052 -25.943 75 HG23 VAL 5 2HG2 VAL 5 6.138 -8.011 -25.405 76 H ALA 6 H ALA 6 3.857 -7.126 -25.244 77 HA ALA 6 HA ALA 6 1.030 -7.700 -24.808 78 HB1 ALA 6 1HB ALA 6 2.562 -5.640 -26.245 79 HB2 ALA 6 2HB ALA 6 1.062 -6.151 -27.021 80 HB3 ALA 6 3HB ALA 6 1.033 -5.522 -25.374 81 H LEU 7 H LEU 7 0.190 -9.463 -25.693 82 HA LEU 7 HA LEU 7 1.473 -10.787 -27.914 83 HB2 LEU 7 2HB LEU 7 -1.194 -11.572 -26.822 84 HB3 LEU 7 3HB LEU 7 0.083 -12.589 -27.488 85 HG LEU 7 HG LEU 7 0.214 -11.202 -24.811 86 HD11 LEU 7 1HD1 LEU 7 -0.308 -14.109 -25.409 87 HD12 LEU 7 2HD1 LEU 7 -1.540 -12.946 -24.921 88 HD13 LEU 7 3HD1 LEU 7 -0.223 -13.348 -23.820 89 HD21 LEU 7 3HD2 LEU 7 1.922 -13.506 -25.292 90 HD22 LEU 7 1HD2 LEU 7 2.320 -11.914 -24.645 91 HD23 LEU 7 2HD2 LEU 7 2.257 -12.166 -26.390 92 H TYR 8 H TYR 8 -1.429 -8.891 -27.344 93 HA TYR 8 HA TYR 8 -1.768 -8.631 -30.237 94 HB2 TYR 8 2HB TYR 8 -4.204 -9.037 -28.535 95 HB3 TYR 8 3HB TYR 8 -4.020 -9.238 -30.273 96 HD1 TYR 8 HD1 TYR 8 -2.474 -11.181 -31.046 97 HD2 TYR 8 HD2 TYR 8 -4.161 -10.903 -27.150 98 HE1 TYR 8 HE1 TYR 8 -2.140 -13.598 -30.736 99 HE2 TYR 8 HE2 TYR 8 -3.830 -13.318 -26.828 100 HH TYR 8 HH TYR 8 -2.078 -15.102 -27.946 101 H ASP 9 H ASP 9 -2.395 -6.636 -30.887 102 HA ASP 9 HA ASP 9 -2.147 -4.466 -29.112 103 HB2 ASP 9 2HB ASP 9 -2.550 -3.077 -30.963 104 HB3 ASP 9 3HB ASP 9 -1.821 -4.518 -31.666 105 H PHE 10 H PHE 10 -3.609 -3.217 -28.052 106 HA PHE 10 HA PHE 10 -6.461 -3.735 -28.435 107 HB2 PHE 10 2HB PHE 10 -6.153 -5.192 -26.643 108 HB3 PHE 10 3HB PHE 10 -4.915 -4.182 -25.905 109 HD1 PHE 10 HD1 PHE 10 -8.514 -4.681 -26.361 110 HD2 PHE 10 HD2 PHE 10 -5.498 -2.346 -24.471 111 HE1 PHE 10 HE1 PHE 10 -10.209 -3.705 -24.868 112 HE2 PHE 10 HE2 PHE 10 -7.189 -1.367 -22.975 113 HZ PHE 10 HZ PHE 10 -9.548 -2.047 -23.172 114 H GLU 11 H GLU 11 -7.797 -2.015 -27.928 115 HA GLU 11 HA GLU 11 -6.405 0.501 -27.288 116 HB2 GLU 11 2HB GLU 11 -8.050 -0.166 -29.477 117 HB3 GLU 11 3HB GLU 11 -8.999 0.914 -28.465 118 HG2 GLU 11 2HG GLU 11 -7.592 2.685 -28.787 119 HG3 GLU 11 3HG GLU 11 -6.192 1.659 -29.092 120 HA PRO 12 HA PRO 12 -8.821 0.837 -23.626 121 HB2 PRO 12 2HB PRO 12 -8.723 3.529 -23.284 122 HB3 PRO 12 3HB PRO 12 -7.340 2.471 -22.979 123 HG2 PRO 12 2HG PRO 12 -7.944 4.154 -25.380 124 HG3 PRO 12 3HG PRO 12 -6.403 3.924 -24.533 125 HD2 PRO 12 2HD PRO 12 -7.007 2.631 -26.834 126 HD3 PRO 12 3HD PRO 12 -5.987 1.910 -25.573 127 H GLU 13 H GLU 13 -10.950 0.860 -23.259 128 HA GLU 13 HA GLU 13 -12.695 2.158 -25.209 129 HB2 GLU 13 2HB GLU 13 -12.969 -0.086 -23.287 130 HB3 GLU 13 3HB GLU 13 -14.415 0.863 -23.601 131 HG2 GLU 13 2HG GLU 13 -14.189 0.429 -25.991 132 HG3 GLU 13 3HG GLU 13 -12.736 -0.520 -25.681 133 H ASN 14 H ASN 14 -11.541 2.560 -22.009 134 HA ASN 14 HA ASN 14 -13.613 4.587 -21.481 135 HB2 ASN 14 2HB ASN 14 -12.111 2.733 -19.670 136 HB3 ASN 14 3HB ASN 14 -12.684 4.276 -19.042 137 HD21 ASN 14 1HD2 ASN 14 -13.435 1.109 -19.373 138 HD22 ASN 14 2HD2 ASN 14 -15.156 1.200 -19.250 139 H ASP 15 H ASP 15 -12.697 6.285 -19.832 140 HA ASP 15 HA ASP 15 -10.411 7.493 -21.150 141 HB2 ASP 15 2HB ASP 15 -12.460 8.446 -19.176 142 HB3 ASP 15 3HB ASP 15 -10.977 9.364 -19.420 143 H ASN 16 H ASN 16 -10.534 5.192 -18.974 144 HA ASN 16 HA ASN 16 -8.211 6.213 -17.486 145 HB2 ASN 16 2HB ASN 16 -9.136 4.534 -15.658 146 HB3 ASN 16 3HB ASN 16 -9.715 6.195 -15.745 147 HD21 ASN 16 1HD2 ASN 16 -10.570 2.950 -15.761 148 HD22 ASN 16 2HD2 ASN 16 -12.228 3.125 -16.214 149 H GLU 17 H GLU 17 -8.677 4.440 -19.910 150 HA GLU 17 HA GLU 17 -7.315 2.022 -18.926 151 HB2 GLU 17 2HB GLU 17 -9.068 2.514 -21.321 152 HB3 GLU 17 3HB GLU 17 -8.000 1.120 -21.240 153 HG2 GLU 17 2HG GLU 17 -9.149 0.639 -18.991 154 HG3 GLU 17 3HG GLU 17 -10.385 1.762 -19.555 155 H LEU 18 H LEU 18 -5.588 1.145 -20.225 156 HA LEU 18 HA LEU 18 -4.064 3.262 -21.578 157 HB2 LEU 18 2HB LEU 18 -3.214 1.918 -19.516 158 HB3 LEU 18 3HB LEU 18 -2.892 0.655 -20.702 159 HG LEU 18 HG LEU 18 -1.784 3.164 -21.580 160 HD11 LEU 18 1HD1 LEU 18 -1.069 2.239 -18.810 161 HD12 LEU 18 2HD1 LEU 18 -1.574 3.847 -19.329 162 HD13 LEU 18 3HD1 LEU 18 0.006 3.224 -19.804 163 HD21 LEU 18 3HD2 LEU 18 -0.016 1.846 -22.164 164 HD22 LEU 18 1HD2 LEU 18 -1.268 0.611 -22.038 165 HD23 LEU 18 2HD2 LEU 18 -0.131 0.852 -20.711 166 H ARG 19 H ARG 19 -2.888 2.760 -23.500 167 HA ARG 19 HA ARG 19 -4.326 0.910 -25.215 168 HB2 ARG 19 2HB ARG 19 -1.991 2.542 -26.135 169 HB3 ARG 19 3HB ARG 19 -3.434 2.065 -27.020 170 HG2 ARG 19 2HG ARG 19 -4.750 3.633 -25.621 171 HG3 ARG 19 3HG ARG 19 -3.241 4.171 -24.879 172 HD2 ARG 19 2HD ARG 19 -3.649 4.221 -27.853 173 HD3 ARG 19 3HD ARG 19 -4.181 5.549 -26.824 174 HE ARG 19 HE ARG 19 -1.462 4.877 -26.331 175 HH11 ARG 19 1HH1 ARG 19 -3.556 6.543 -28.559 176 HH12 ARG 19 2HH1 ARG 19 -2.326 7.638 -29.098 177 HH21 ARG 19 1HH2 ARG 19 0.165 6.313 -27.034 178 HH22 ARG 19 2HH2 ARG 19 -0.210 7.506 -28.231 179 H LEU 20 H LEU 20 -3.310 -0.712 -26.475 180 HA LEU 20 HA LEU 20 -0.626 -1.527 -25.621 181 HB2 LEU 20 2HB LEU 20 -2.973 -2.775 -24.766 182 HB3 LEU 20 3HB LEU 20 -2.330 -3.819 -26.031 183 HG LEU 20 HG LEU 20 -0.287 -4.134 -24.825 184 HD11 LEU 20 1HD1 LEU 20 0.417 -2.310 -23.718 185 HD12 LEU 20 2HD1 LEU 20 -0.457 -3.029 -22.366 186 HD13 LEU 20 3HD1 LEU 20 -1.221 -1.774 -23.342 187 HD21 LEU 20 3HD2 LEU 20 -2.873 -4.606 -23.492 188 HD22 LEU 20 1HD2 LEU 20 -1.439 -4.776 -22.479 189 HD23 LEU 20 2HD2 LEU 20 -1.602 -5.741 -23.946 190 H ALA 21 H ALA 21 0.533 -2.751 -27.133 191 HA ALA 21 HA ALA 21 -0.723 -3.224 -29.734 192 HB1 ALA 21 1HB ALA 21 1.810 -2.232 -30.367 193 HB2 ALA 21 2HB ALA 21 0.253 -1.459 -30.663 194 HB3 ALA 21 3HB ALA 21 1.146 -1.105 -29.184 195 H GLU 22 H GLU 22 0.083 -4.961 -30.833 196 HA GLU 22 HA GLU 22 1.325 -7.018 -29.490 197 HB2 GLU 22 2HB GLU 22 0.106 -7.270 -31.624 198 HB3 GLU 22 3HB GLU 22 1.440 -6.492 -32.465 199 HG2 GLU 22 2HG GLU 22 2.634 -8.553 -31.049 200 HG3 GLU 22 3HG GLU 22 1.124 -9.242 -31.643 201 H GLY 23 H GLY 23 3.306 -7.263 -28.710 202 HA2 GLY 23 2HA GLY 23 5.662 -7.426 -28.969 203 HA3 GLY 23 3HA GLY 23 5.580 -6.204 -30.229 204 H ASP 24 H ASP 24 3.645 -4.946 -28.003 205 HA ASP 24 HA ASP 24 5.633 -3.101 -27.070 206 HB2 ASP 24 2HB ASP 24 2.679 -3.381 -26.502 207 HB3 ASP 24 3HB ASP 24 3.678 -2.105 -25.812 208 H ILE 25 H ILE 25 6.216 -2.686 -24.906 209 HA ILE 25 HA ILE 25 5.826 -4.982 -23.098 210 HB ILE 25 HB ILE 25 8.205 -3.124 -23.195 211 HG12 ILE 25 2HG1 ILE 25 7.601 -5.703 -24.523 212 HG13 ILE 25 3HG1 ILE 25 8.666 -4.396 -25.031 213 HG21 ILE 25 1HG2 ILE 25 7.574 -4.124 -20.971 214 HG22 ILE 25 2HG2 ILE 25 7.911 -5.704 -21.676 215 HG23 ILE 25 3HG2 ILE 25 9.198 -4.505 -21.544 216 HD11 ILE 25 3HD1 ILE 25 10.244 -5.174 -23.209 217 HD12 ILE 25 1HD1 ILE 25 9.236 -6.617 -23.101 218 HD13 ILE 25 2HD1 ILE 25 10.061 -6.229 -24.611 219 H VAL 26 H VAL 26 4.663 -4.545 -21.356 220 HA VAL 26 HA VAL 26 4.691 -1.794 -20.292 221 HB VAL 26 HB VAL 26 2.380 -2.347 -19.396 222 HG11 VAL 26 1HG1 VAL 26 1.721 -2.358 -22.143 223 HG12 VAL 26 2HG1 VAL 26 1.808 -0.978 -21.047 224 HG13 VAL 26 3HG1 VAL 26 3.231 -1.463 -21.971 225 HG21 VAL 26 3HG2 VAL 26 2.400 -4.740 -19.647 226 HG22 VAL 26 1HG2 VAL 26 1.135 -4.071 -20.678 227 HG23 VAL 26 2HG2 VAL 26 2.663 -4.597 -21.385 228 H PHE 27 H PHE 27 4.092 -1.680 -17.951 229 HA PHE 27 HA PHE 27 5.257 -3.964 -16.498 230 HB2 PHE 27 2HB PHE 27 5.323 -1.029 -15.765 231 HB3 PHE 27 3HB PHE 27 5.997 -2.335 -14.797 232 HD1 PHE 27 HD1 PHE 27 7.614 -3.934 -16.275 233 HD2 PHE 27 HD2 PHE 27 6.824 0.189 -16.981 234 HE1 PHE 27 HE1 PHE 27 9.743 -3.738 -17.493 235 HE2 PHE 27 HE2 PHE 27 8.951 0.391 -18.201 236 HZ PHE 27 HZ PHE 27 10.413 -1.574 -18.459 237 H ILE 28 H ILE 28 3.637 -5.088 -15.626 238 HA ILE 28 HA ILE 28 1.138 -3.934 -14.881 239 HB ILE 28 HB ILE 28 2.151 -6.620 -13.973 240 HG12 ILE 28 2HG1 ILE 28 2.546 -6.477 -16.373 241 HG13 ILE 28 3HG1 ILE 28 1.181 -7.542 -16.055 242 HG21 ILE 28 1HG2 ILE 28 -0.310 -7.156 -14.256 243 HG22 ILE 28 2HG2 ILE 28 0.111 -6.075 -12.928 244 HG23 ILE 28 3HG2 ILE 28 -0.568 -5.419 -14.418 245 HD11 ILE 28 3HD1 ILE 28 -0.095 -5.191 -16.405 246 HD12 ILE 28 1HD1 ILE 28 1.292 -4.978 -17.474 247 HD13 ILE 28 2HD1 ILE 28 0.214 -6.358 -17.691 248 H SER 29 H SER 29 1.156 -2.484 -13.260 249 HA SER 29 HA SER 29 2.873 -2.559 -11.026 250 HB2 SER 29 2HB SER 29 0.409 -1.032 -11.752 251 HB3 SER 29 3HB SER 29 0.963 -0.989 -10.078 252 HG SER 29 HG SER 29 2.168 0.020 -12.387 253 H TYR 30 H TYR 30 -0.412 -3.733 -11.542 254 HA TYR 30 HA TYR 30 -0.206 -5.738 -9.578 255 HB2 TYR 30 2HB TYR 30 -1.594 -4.927 -7.821 256 HB3 TYR 30 3HB TYR 30 -0.386 -3.681 -8.114 257 HD1 TYR 30 HD2 TYR 30 -3.930 -4.567 -8.423 258 HD2 TYR 30 HD1 TYR 30 -1.010 -1.537 -9.051 259 HE1 TYR 30 HE2 TYR 30 -5.723 -2.912 -8.729 260 HE2 TYR 30 HE1 TYR 30 -2.795 0.128 -9.357 261 HH TYR 30 HH TYR 30 -5.820 -0.224 -8.397 262 H LYS 31 H LYS 31 -1.935 -7.164 -9.635 263 HA LYS 31 HA LYS 31 -3.634 -6.932 -11.948 264 HB2 LYS 31 2HB LYS 31 -2.790 -9.102 -11.553 265 HB3 LYS 31 3HB LYS 31 -3.229 -9.053 -9.851 266 HG2 LYS 31 2HG LYS 31 -5.525 -9.328 -10.337 267 HG3 LYS 31 3HG LYS 31 -5.269 -9.024 -12.057 268 HD2 LYS 31 2HD LYS 31 -4.171 -11.097 -12.356 269 HD3 LYS 31 3HD LYS 31 -4.004 -11.344 -10.617 270 HE2 LYS 31 2HE LYS 31 -6.712 -11.080 -10.912 271 HE3 LYS 31 3HE LYS 31 -6.256 -11.916 -12.396 272 HZ1 LYS 31 3HZ LYS 31 -5.616 -12.798 -9.633 273 HZ2 LYS 31 1HZ LYS 31 -5.130 -13.590 -11.047 274 HZ3 LYS 31 2HZ LYS 31 -6.772 -13.489 -10.656 275 H HIS 32 H HIS 32 -5.866 -6.788 -11.997 276 HA HIS 32 HA HIS 32 -7.231 -6.264 -9.450 277 HB2 HIS 32 2HB HIS 32 -6.535 -4.151 -10.791 278 HB3 HIS 32 3HB HIS 32 -7.843 -4.606 -11.880 279 HD1 HIS 32 HD1 HIS 32 -7.495 -4.195 -8.103 280 HD2 HIS 32 HD2 HIS 32 -10.113 -3.325 -11.209 281 HE1 HIS 32 HE1 HIS 32 -9.423 -2.981 -7.038 282 H GLY 33 H GLY 33 -9.513 -6.615 -9.480 283 HA2 GLY 33 2HA GLY 33 -10.319 -8.899 -10.879 284 HA3 GLY 33 3HA GLY 33 -11.399 -7.797 -10.037 285 H GLN 34 H GLN 34 -12.705 -8.662 -11.975 286 HA GLN 34 HA GLN 34 -13.838 -8.153 -13.881 287 HB2 GLN 34 2HB GLN 34 -12.309 -5.547 -13.790 288 HB3 GLN 34 3HB GLN 34 -13.768 -5.868 -14.717 289 HG2 GLN 34 2HG GLN 34 -13.793 -6.210 -11.755 290 HG3 GLN 34 3HG GLN 34 -13.904 -4.597 -12.456 291 HE21 GLN 34 1HE2 GLN 34 -15.671 -7.075 -11.301 292 HE22 GLN 34 2HE2 GLN 34 -17.153 -6.813 -12.149 293 H GLY 35 H GLY 35 -10.856 -9.076 -13.791 294 HA2 GLY 35 2HA GLY 35 -9.402 -9.905 -15.367 295 HA3 GLY 35 3HA GLY 35 -10.634 -9.567 -16.574 296 H TRP 36 H TRP 36 -9.364 -7.066 -14.503 297 HA TRP 36 HA TRP 36 -7.884 -5.974 -16.806 298 HB2 TRP 36 2HB TRP 36 -9.601 -4.535 -14.781 299 HB3 TRP 36 3HB TRP 36 -8.466 -3.703 -15.840 300 HD1 TRP 36 HD1 TRP 36 -11.941 -5.081 -15.746 301 HE1 TRP 36 HE1 TRP 36 -13.066 -4.778 -18.042 302 HE3 TRP 36 HE3 TRP 36 -7.839 -3.745 -18.489 303 HZ2 TRP 36 HZ2 TRP 36 -12.313 -4.068 -20.668 304 HZ3 TRP 36 HZ3 TRP 36 -8.127 -3.271 -20.886 305 HH2 TRP 36 HH2 TRP 36 -10.318 -3.430 -21.951 306 H LEU 37 H LEU 37 -5.847 -5.269 -16.455 307 HA LEU 37 HA LEU 37 -4.872 -5.279 -13.675 308 HB2 LEU 37 2HB LEU 37 -2.994 -5.860 -15.893 309 HB3 LEU 37 3HB LEU 37 -3.002 -6.455 -14.234 310 HG LEU 37 HG LEU 37 -4.759 -7.423 -16.489 311 HD11 LEU 37 1HD1 LEU 37 -2.116 -8.078 -15.786 312 HD12 LEU 37 2HD1 LEU 37 -3.172 -8.903 -16.933 313 HD13 LEU 37 3HD1 LEU 37 -3.130 -9.417 -15.246 314 HD21 LEU 37 3HD2 LEU 37 -4.940 -7.703 -13.585 315 HD22 LEU 37 1HD2 LEU 37 -4.948 -9.238 -14.453 316 HD23 LEU 37 2HD2 LEU 37 -6.149 -8.004 -14.834 317 H VAL 38 H VAL 38 -3.829 -3.508 -13.003 318 HA VAL 38 HA VAL 38 -3.649 -1.236 -14.759 319 HB VAL 38 HB VAL 38 -2.678 -1.486 -11.909 320 HG11 VAL 38 1HG1 VAL 38 -3.230 0.883 -13.685 321 HG12 VAL 38 2HG1 VAL 38 -3.020 1.000 -11.937 322 HG13 VAL 38 3HG1 VAL 38 -1.697 0.419 -12.949 323 HG21 VAL 38 3HG2 VAL 38 -4.920 -1.911 -11.647 324 HG22 VAL 38 1HG2 VAL 38 -4.913 -0.149 -11.581 325 HG23 VAL 38 2HG2 VAL 38 -5.376 -0.974 -13.070 326 H ALA 39 H ALA 39 -2.031 -1.113 -16.174 327 HA ALA 39 HA ALA 39 0.698 -1.637 -15.203 328 HB1 ALA 39 1HB ALA 39 0.238 -2.138 -18.063 329 HB2 ALA 39 2HB ALA 39 1.210 -3.031 -16.893 330 HB3 ALA 39 3HB ALA 39 -0.534 -3.281 -16.963 331 H GLU 40 H GLU 40 2.381 -0.535 -16.493 332 HA GLU 40 HA GLU 40 1.381 2.012 -17.588 333 HB2 GLU 40 2HB GLU 40 3.341 3.112 -16.713 334 HB3 GLU 40 3HB GLU 40 2.549 2.239 -15.408 335 HG2 GLU 40 2HG GLU 40 4.481 0.535 -16.634 336 HG3 GLU 40 3HG GLU 40 5.232 2.079 -16.237 337 H ASN 41 H ASN 41 2.779 3.039 -19.197 338 HA ASN 41 HA ASN 41 3.425 1.321 -21.302 339 HB2 ASN 41 2HB ASN 41 4.473 3.305 -22.351 340 HB3 ASN 41 3HB ASN 41 2.885 3.665 -21.680 341 HD21 ASN 41 1HD2 ASN 41 4.392 5.758 -22.174 342 HD22 ASN 41 2HD2 ASN 41 5.057 6.434 -20.729 343 H GLU 42 H GLU 42 5.795 1.843 -22.378 344 HA GLU 42 HA GLU 42 7.600 0.346 -20.718 345 HB2 GLU 42 2HB GLU 42 7.331 0.177 -23.266 346 HB3 GLU 42 3HB GLU 42 8.297 1.644 -23.343 347 HG2 GLU 42 2HG GLU 42 9.359 -0.617 -21.750 348 HG3 GLU 42 3HG GLU 42 9.367 -0.769 -23.506 349 H SER 43 H SER 43 7.338 3.667 -21.856 350 HA SER 43 HA SER 43 9.876 4.526 -20.925 351 HB2 SER 43 2HB SER 43 7.357 6.112 -21.482 352 HB3 SER 43 3HB SER 43 8.950 6.814 -21.205 353 HG SER 43 HG SER 43 8.121 6.305 -23.485 354 H GLY 44 H GLY 44 6.870 3.925 -19.364 355 HA2 GLY 44 2HA GLY 44 6.387 3.885 -17.105 356 HA3 GLY 44 3HA GLY 44 8.024 4.438 -16.787 357 H SER 45 H SER 45 5.967 6.205 -18.957 358 HA SER 45 HA SER 45 5.804 8.358 -16.955 359 HB2 SER 45 2HB SER 45 7.042 9.208 -18.759 360 HB3 SER 45 3HB SER 45 6.034 8.393 -19.955 361 HG SER 45 HG SER 45 4.855 10.117 -20.011 362 H LYS 46 H LYS 46 3.989 6.219 -18.931 363 HA LYS 46 HA LYS 46 1.508 7.616 -18.168 364 HB2 LYS 46 2HB LYS 46 0.739 7.500 -20.268 365 HB3 LYS 46 3HB LYS 46 2.383 7.095 -20.743 366 HG2 LYS 46 2HG LYS 46 1.786 4.683 -20.372 367 HG3 LYS 46 3HG LYS 46 0.111 5.208 -20.190 368 HD2 LYS 46 2HD LYS 46 1.781 5.863 -22.608 369 HD3 LYS 46 3HD LYS 46 0.782 4.412 -22.495 370 HE2 LYS 46 2HE LYS 46 -1.145 5.988 -21.945 371 HE3 LYS 46 3HE LYS 46 -0.088 7.290 -22.488 372 HZ1 LYS 46 3HZ LYS 46 0.048 6.294 -24.645 373 HZ2 LYS 46 1HZ LYS 46 -1.587 6.441 -24.234 374 HZ3 LYS 46 2HZ LYS 46 -0.823 4.935 -24.139 375 H THR 47 H THR 47 -0.092 6.435 -17.231 376 HA THR 47 HA THR 47 0.312 3.533 -16.979 377 HB THR 47 HB THR 47 -0.646 5.224 -14.674 378 HG1 THR 47 HG1 THR 47 1.403 5.416 -13.996 379 HG21 THR 47 3HG2 THR 47 0.220 3.146 -13.440 380 HG22 THR 47 1HG2 THR 47 0.223 2.368 -15.022 381 HG23 THR 47 2HG2 THR 47 -1.284 2.989 -14.348 382 H GLY 48 H GLY 48 -1.595 2.303 -16.602 383 HA2 GLY 48 2HA GLY 48 -4.175 3.406 -16.355 384 HA3 GLY 48 3HA GLY 48 -3.839 3.131 -18.058 385 H LEU 49 H LEU 49 -5.671 1.647 -17.914 386 HA LEU 49 HA LEU 49 -5.065 -0.880 -16.555 387 HB2 LEU 49 2HB LEU 49 -7.625 -0.021 -17.892 388 HB3 LEU 49 3HB LEU 49 -7.388 -1.448 -16.886 389 HG LEU 49 HG LEU 49 -6.882 1.229 -15.685 390 HD11 LEU 49 1HD1 LEU 49 -8.991 1.557 -16.841 391 HD12 LEU 49 2HD1 LEU 49 -9.252 1.444 -15.101 392 HD13 LEU 49 3HD1 LEU 49 -9.627 0.069 -16.139 393 HD21 LEU 49 3HD2 LEU 49 -7.257 0.154 -13.698 394 HD22 LEU 49 1HD2 LEU 49 -6.621 -1.179 -14.661 395 HD23 LEU 49 2HD2 LEU 49 -8.360 -1.022 -14.414 396 H VAL 50 H VAL 50 -4.869 -2.801 -17.639 397 HA VAL 50 HA VAL 50 -5.135 -2.776 -20.560 398 HB VAL 50 HB VAL 50 -3.012 -3.869 -20.892 399 HG11 VAL 50 1HG1 VAL 50 -2.158 -1.654 -19.122 400 HG12 VAL 50 2HG1 VAL 50 -1.736 -1.993 -20.801 401 HG13 VAL 50 3HG1 VAL 50 -3.294 -1.262 -20.412 402 HG21 VAL 50 3HG2 VAL 50 -2.559 -3.603 -17.922 403 HG22 VAL 50 1HG2 VAL 50 -2.975 -5.103 -18.751 404 HG23 VAL 50 2HG2 VAL 50 -1.446 -4.297 -19.101 405 HA PRO 51 HA PRO 51 -6.994 -6.721 -20.049 406 HB2 PRO 51 2HB PRO 51 -6.320 -7.917 -22.392 407 HB3 PRO 51 3HB PRO 51 -7.521 -6.625 -22.284 408 HG2 PRO 51 2HG PRO 51 -4.642 -6.473 -23.091 409 HG3 PRO 51 3HG PRO 51 -6.052 -5.686 -23.823 410 HD2 PRO 51 2HD PRO 51 -4.363 -4.387 -22.153 411 HD3 PRO 51 3HD PRO 51 -6.095 -4.009 -22.242 412 H GLU 52 H GLU 52 -6.542 -8.757 -19.316 413 HA GLU 52 HA GLU 52 -3.728 -9.376 -18.876 414 HB2 GLU 52 2HB GLU 52 -5.293 -9.472 -16.974 415 HB3 GLU 52 3HB GLU 52 -6.214 -10.720 -17.801 416 HG2 GLU 52 2HG GLU 52 -4.585 -12.323 -17.485 417 HG3 GLU 52 3HG GLU 52 -3.309 -11.129 -17.256 418 H GLU 53 H GLU 53 -6.449 -10.468 -20.728 419 HA GLU 53 HA GLU 53 -5.187 -12.987 -21.431 420 HB2 GLU 53 2HB GLU 53 -7.836 -12.034 -21.375 421 HB3 GLU 53 3HB GLU 53 -7.465 -12.330 -23.068 422 HG2 GLU 53 2HG GLU 53 -6.489 -14.584 -21.965 423 HG3 GLU 53 3HG GLU 53 -7.800 -14.221 -20.844 424 H PHE 54 H PHE 54 -4.388 -10.050 -22.236 425 HA PHE 54 HA PHE 54 -3.959 -10.681 -25.083 426 HB2 PHE 54 2HB PHE 54 -4.952 -8.257 -23.778 427 HB3 PHE 54 3HB PHE 54 -3.617 -7.949 -24.885 428 HD1 PHE 54 HD2 PHE 54 -6.179 -10.591 -25.232 429 HD2 PHE 54 HD1 PHE 54 -4.750 -6.824 -26.606 430 HE1 PHE 54 HE2 PHE 54 -7.737 -10.697 -27.134 431 HE2 PHE 54 HE1 PHE 54 -6.306 -6.924 -28.510 432 HZ PHE 54 HZ PHE 54 -7.802 -8.863 -28.776 433 H VAL 55 H VAL 55 -2.534 -10.089 -22.075 434 HA VAL 55 HA VAL 55 0.078 -9.557 -23.335 435 HB VAL 55 HB VAL 55 0.793 -8.702 -21.103 436 HG11 VAL 55 1HG1 VAL 55 0.252 -6.629 -21.753 437 HG12 VAL 55 2HG1 VAL 55 -0.559 -7.419 -23.107 438 HG13 VAL 55 3HG1 VAL 55 -1.479 -6.956 -21.675 439 HG21 VAL 55 3HG2 VAL 55 -2.134 -9.051 -20.480 440 HG22 VAL 55 1HG2 VAL 55 -0.760 -9.778 -19.647 441 HG23 VAL 55 2HG2 VAL 55 -1.044 -8.041 -19.530 442 H SER 56 H SER 56 1.935 -10.372 -21.876 443 HA SER 56 HA SER 56 1.301 -12.903 -20.563 444 HB2 SER 56 2HB SER 56 1.736 -13.465 -22.937 445 HB3 SER 56 3HB SER 56 3.320 -12.700 -22.812 446 HG SER 56 HG SER 56 4.055 -14.404 -21.819 447 H TYR 57 H TYR 57 2.258 -12.825 -18.652 448 HA TYR 57 HA TYR 57 4.115 -10.971 -17.804 449 HB2 TYR 57 2HB TYR 57 3.205 -13.617 -16.796 450 HB3 TYR 57 3HB TYR 57 4.673 -12.947 -16.092 451 HD1 TYR 57 HD2 TYR 57 1.643 -11.127 -17.247 452 HD2 TYR 57 HD1 TYR 57 4.003 -12.357 -13.928 453 HE1 TYR 57 HE2 TYR 57 0.281 -9.715 -15.763 454 HE2 TYR 57 HE1 TYR 57 2.647 -10.950 -12.434 455 HH TYR 57 HH TYR 57 -0.305 -9.693 -13.273 456 H ILE 58 H ILE 58 6.279 -10.770 -17.864 457 HA ILE 58 HA ILE 58 7.776 -12.842 -19.315 458 HB ILE 58 HB ILE 58 8.582 -9.972 -18.841 459 HG12 ILE 58 2HG1 ILE 58 7.472 -11.217 -21.364 460 HG13 ILE 58 3HG1 ILE 58 6.531 -10.225 -20.255 461 HG21 ILE 58 1HG2 ILE 58 9.715 -12.138 -20.603 462 HG22 ILE 58 2HG2 ILE 58 10.200 -10.444 -20.665 463 HG23 ILE 58 3HG2 ILE 58 10.486 -11.390 -19.204 464 HD11 ILE 58 3HD1 ILE 58 7.112 -8.567 -21.636 465 HD12 ILE 58 1HD1 ILE 58 8.633 -8.596 -20.744 466 HD13 ILE 58 2HD1 ILE 58 8.495 -9.450 -22.282 467 H GLN 59 H GLN 59 9.720 -13.632 -18.532 468 HA GLN 59 HA GLN 59 10.457 -12.842 -15.797 469 HB2 GLN 59 2HB GLN 59 9.612 -15.477 -16.787 470 HB3 GLN 59 3HB GLN 59 11.105 -15.501 -15.857 471 HG2 GLN 59 2HG GLN 59 10.074 -14.781 -13.926 472 HG3 GLN 59 3HG GLN 59 8.718 -14.063 -14.794 473 HE21 GLN 59 1HE2 GLN 59 10.170 -17.291 -14.925 474 HE22 GLN 59 2HE2 GLN 59 8.721 -18.148 -14.537 475 HA PRO 60 HA PRO 60 14.625 -12.706 -17.154 476 HB2 PRO 60 2HB PRO 60 15.973 -13.694 -15.015 477 HB3 PRO 60 3HB PRO 60 15.204 -12.102 -15.014 478 HG2 PRO 60 2HG PRO 60 14.210 -14.687 -13.877 479 HG3 PRO 60 3HG PRO 60 14.156 -13.060 -13.173 480 HD2 PRO 60 2HD PRO 60 12.013 -14.201 -14.372 481 HD3 PRO 60 3HD PRO 60 12.308 -12.451 -14.408 482 H GLU 61 H GLU 61 15.148 -15.492 -15.106 483 HA GLU 61 HA GLU 61 15.468 -17.204 -17.472 484 HB2 GLU 61 2HB GLU 61 17.653 -16.169 -16.492 485 HB3 GLU 61 3HB GLU 61 17.436 -17.357 -15.215 486 HG2 GLU 61 2HG GLU 61 17.387 -19.129 -16.954 487 HG3 GLU 61 3HG GLU 61 17.778 -17.898 -18.154 488 H LEU 62 H LEU 62 13.280 -17.159 -15.709 489 HA LEU 62 HA LEU 62 13.622 -19.727 -14.303 490 HB2 LEU 62 2HB LEU 62 11.547 -17.689 -13.573 491 HB3 LEU 62 3HB LEU 62 12.141 -19.048 -12.620 492 HG LEU 62 HG LEU 62 13.638 -16.499 -13.224 493 HD11 LEU 62 1HD1 LEU 62 11.898 -17.377 -11.040 494 HD12 LEU 62 2HD1 LEU 62 12.386 -15.754 -11.524 495 HD13 LEU 62 3HD1 LEU 62 13.455 -16.733 -10.520 496 HD21 LEU 62 3HD2 LEU 62 14.456 -19.096 -12.027 497 HD22 LEU 62 1HD2 LEU 62 15.110 -17.609 -11.340 498 HD23 LEU 62 2HD2 LEU 62 15.369 -17.980 -13.045 499 H GLU 63 H GLU 63 11.548 -20.960 -14.071 500 HA GLU 63 HA GLU 63 9.823 -20.585 -16.430 501 HB2 GLU 63 2HB GLU 63 11.491 -22.495 -16.604 502 HB3 GLU 63 3HB GLU 63 10.599 -23.273 -15.304 503 HG2 GLU 63 2HG GLU 63 8.707 -23.583 -16.620 504 HG3 GLU 63 3HG GLU 63 9.213 -22.373 -17.797 505 H1 GLY -9 H GLY -9 -8.960 4.392 -5.061 506 HA2 GLY -9 2HA GLY -9 -6.872 4.655 -6.186 507 HA3 GLY -9 3HA GLY -9 -7.279 3.277 -7.197 508 H LYS -8 H LYS -8 -6.480 4.917 -8.827 509 HA LYS -8 HA LYS -8 -8.391 6.993 -9.512 510 HB2 LYS -8 2HB LYS -8 -5.773 6.133 -10.747 511 HB3 LYS -8 3HB LYS -8 -6.778 7.415 -11.410 512 HG2 LYS -8 2HG LYS -8 -5.264 8.600 -10.156 513 HG3 LYS -8 3HG LYS -8 -6.606 8.426 -9.023 514 HD2 LYS -8 2HD LYS -8 -5.502 6.778 -7.788 515 HD3 LYS -8 3HD LYS -8 -4.366 6.431 -9.093 516 HE2 LYS -8 2HE LYS -8 -3.225 8.502 -8.741 517 HE3 LYS -8 3HE LYS -8 -4.459 9.051 -7.608 518 HZ1 LYS -8 3HZ LYS -8 -2.850 8.320 -6.184 519 HZ2 LYS -8 1HZ LYS -8 -2.315 7.089 -7.213 520 HZ3 LYS -8 2HZ LYS -8 -3.751 6.898 -6.342 521 H PHE -7 H PHE -7 -6.909 4.265 -11.276 522 HA PHE -7 HA PHE -7 -8.826 4.319 -13.366 523 HB2 PHE -7 2HB PHE -7 -7.161 1.922 -12.613 524 HB3 PHE -7 3HB PHE -7 -7.752 2.381 -14.207 525 HD1 PHE -7 HD2 PHE -7 -6.953 4.944 -14.800 526 HD2 PHE -7 HD1 PHE -7 -4.905 2.131 -12.349 527 HE1 PHE -7 HE2 PHE -7 -4.830 6.101 -15.253 528 HE2 PHE -7 HE1 PHE -7 -2.778 3.284 -12.798 529 HZ PHE -7 HZ PHE -7 -2.738 5.271 -14.252 530 H ILE -6 H ILE -6 -10.686 3.199 -13.668 531 HA ILE -6 HA ILE -6 -11.456 1.105 -11.804 532 HB ILE -6 HB ILE -6 -13.140 3.592 -12.132 533 HG12 ILE -6 2HG1 ILE -6 -11.649 2.505 -9.733 534 HG13 ILE -6 3HG1 ILE -6 -11.236 3.957 -10.638 535 HG21 ILE -6 1HG2 ILE -6 -13.879 0.936 -11.527 536 HG22 ILE -6 2HG2 ILE -6 -14.002 1.864 -10.033 537 HG23 ILE -6 3HG2 ILE -6 -14.881 2.386 -11.470 538 HD11 ILE -6 3HD1 ILE -6 -13.462 4.887 -9.980 539 HD12 ILE -6 1HD1 ILE -6 -13.651 3.495 -8.914 540 HD13 ILE -6 2HD1 ILE -6 -12.331 4.635 -8.651 541 HA PRO -5 HA PRO -5 -12.821 0.235 -16.099 542 HB2 PRO -5 2HB PRO -5 -12.356 -2.434 -15.924 543 HB3 PRO -5 3HB PRO -5 -11.095 -1.264 -16.332 544 HG2 PRO -5 2HG PRO -5 -11.694 -2.563 -13.702 545 HG3 PRO -5 3HG PRO -5 -10.125 -2.274 -14.476 546 HD2 PRO -5 2HD PRO -5 -11.090 -0.691 -12.502 547 HD3 PRO -5 3HD PRO -5 -10.060 -0.069 -13.807 548 H SER -4 H SER -4 -14.817 -0.413 -16.727 549 HA SER -4 HA SER -4 -16.421 -2.053 -14.906 550 HB2 SER -4 2HB SER -4 -16.800 0.519 -14.654 551 HB3 SER -4 3HB SER -4 -17.672 0.362 -16.179 552 HG SER -4 HG SER -4 -18.551 -0.177 -13.749 553 H ARG -3 H ARG -3 -15.614 -3.448 -16.797 554 HA ARG -3 HA ARG -3 -17.791 -4.097 -18.429 555 HB2 ARG -3 2HB ARG -3 -16.792 -3.524 -20.659 556 HB3 ARG -3 3HB ARG -3 -17.336 -2.139 -19.723 557 HG2 ARG -3 2HG ARG -3 -15.149 -1.480 -19.212 558 HG3 ARG -3 3HG ARG -3 -14.479 -3.043 -19.682 559 HD2 ARG -3 2HD ARG -3 -13.993 -2.044 -21.625 560 HD3 ARG -3 3HD ARG -3 -15.710 -2.228 -21.982 561 HE ARG -3 HE ARG -3 -14.319 0.218 -21.304 562 HH11 ARG -3 1HH1 ARG -3 -17.381 -1.404 -21.631 563 HH12 ARG -3 2HH1 ARG -3 -18.288 0.063 -21.800 564 HH21 ARG -3 1HH2 ARG -3 -15.501 2.156 -21.525 565 HH22 ARG -3 2HH2 ARG -3 -17.218 2.087 -21.740 566 HA PRO -2 HA PRO -2 -15.485 -7.818 -18.750 567 HB2 PRO -2 2HB PRO -2 -16.507 -8.880 -21.030 568 HB3 PRO -2 3HB PRO -2 -17.413 -8.807 -19.514 569 HG2 PRO -2 2HG PRO -2 -17.555 -6.996 -21.894 570 HG3 PRO -2 3HG PRO -2 -18.875 -7.663 -20.915 571 HD2 PRO -2 2HD PRO -2 -17.965 -5.132 -20.604 572 HD3 PRO -2 3HD PRO -2 -18.605 -6.089 -19.253 573 H ALA -1 H ALA -1 -13.417 -8.042 -19.298 574 HA ALA -1 HA ALA -1 -12.089 -6.547 -21.240 575 HB1 ALA -1 1HB ALA -1 -11.043 -7.706 -19.288 576 HB2 ALA -1 2HB ALA -1 -11.186 -9.219 -20.184 577 HB3 ALA -1 3HB ALA -1 -10.181 -7.913 -20.812 578 HA PRO 0 HA PRO 0 -12.856 -8.559 -25.068 579 HB2 PRO 0 2HB PRO 0 -10.508 -8.109 -26.355 580 HB3 PRO 0 3HB PRO 0 -11.700 -6.838 -26.058 581 HG2 PRO 0 2HG PRO 0 -9.195 -7.476 -24.548 582 HG3 PRO 0 3HG PRO 0 -9.838 -5.896 -25.031 583 HD2 PRO 0 2HD PRO 0 -10.118 -6.878 -22.523 584 HD3 PRO 0 3HD PRO 0 -11.334 -5.828 -23.279 585 H LYS 1 H LYS 1 -11.874 -10.181 -26.615 586 HA LYS 1 HA LYS 1 -10.322 -12.195 -25.122 587 HB2 LYS 1 2HB LYS 1 -11.541 -13.921 -26.392 588 HB3 LYS 1 3HB LYS 1 -12.619 -12.939 -25.409 589 HG2 LYS 1 2HG LYS 1 -13.229 -11.639 -27.397 590 HG3 LYS 1 3HG LYS 1 -12.174 -12.662 -28.375 591 HD2 LYS 1 2HD LYS 1 -14.319 -13.897 -26.695 592 HD3 LYS 1 3HD LYS 1 -14.725 -13.175 -28.254 593 HE2 LYS 1 2HE LYS 1 -13.398 -14.693 -29.433 594 HE3 LYS 1 3HE LYS 1 -12.486 -15.153 -27.996 595 HZ1 LYS 1 3HZ LYS 1 -14.463 -16.244 -27.135 596 HZ2 LYS 1 1HZ LYS 1 -14.044 -16.879 -28.646 597 HZ3 LYS 1 2HZ LYS 1 -15.339 -15.800 -28.512 598 HA PRO 2 HA PRO 2 -7.349 -12.188 -28.354 599 HB2 PRO 2 2HB PRO 2 -6.524 -14.773 -28.305 600 HB3 PRO 2 3HB PRO 2 -6.103 -13.606 -27.045 601 HG2 PRO 2 2HG PRO 2 -8.242 -15.701 -27.050 602 HG3 PRO 2 3HG PRO 2 -7.121 -15.250 -25.752 603 HD2 PRO 2 2HD PRO 2 -9.690 -14.398 -25.818 604 HD3 PRO 2 3HD PRO 2 -8.377 -13.420 -25.130 605 HA PRO 3 HA PRO 3 -9.086 -13.590 -32.144 606 HB2 PRO 3 2HB PRO 3 -6.860 -14.091 -33.616 607 HB3 PRO 3 3HB PRO 3 -7.396 -12.456 -33.212 608 HG2 PRO 3 2HG PRO 3 -5.278 -14.129 -31.918 609 HG3 PRO 3 3HG PRO 3 -5.244 -12.406 -32.334 610 HD2 PRO 3 2HD PRO 3 -5.724 -13.289 -29.819 611 HD3 PRO 3 3HD PRO 3 -6.449 -11.802 -30.464 612 H SER 4 H SER 4 -9.479 -15.422 -33.445 613 HA SER 4 HA SER 4 -8.975 -17.932 -32.105 614 HB2 SER 4 2HB SER 4 -11.178 -17.726 -32.932 615 HB3 SER 4 3HB SER 4 -10.625 -17.132 -34.498 616 HG SER 4 HG SER 4 -10.661 -19.747 -33.490 617 H SER 5 H SER 5 -6.758 -18.264 -32.371 618 HA SER 5 HA SER 5 -5.967 -19.011 -35.107 619 HB2 SER 5 2HB SER 5 -4.901 -16.863 -34.318 620 HB3 SER 5 3HB SER 5 -4.097 -17.803 -33.060 621 HG SER 5 HG SER 5 -2.694 -17.714 -34.755 622 H ALA 6 H ALA 6 -4.097 -20.544 -35.137 623 HA ALA 6 HA ALA 6 -4.011 -22.267 -32.758 624 HB1 ALA 6 1HB ALA 6 -3.870 -24.095 -34.774 625 HB2 ALA 6 2HB ALA 6 -5.324 -23.717 -33.850 626 HB3 ALA 6 3HB ALA 6 -5.046 -22.944 -35.411 Start of MODEL 19 1 H1 MET -4 H MET -4 -2.950 -2.248 -3.901 2 HA MET -4 HA MET -4 -3.261 -3.297 -1.166 3 HB2 MET -4 2HB MET -4 -3.497 -4.568 -3.852 4 HB3 MET -4 3HB MET -4 -2.873 -5.545 -2.530 5 HG2 MET -4 2HG MET -4 -5.193 -5.941 -2.629 6 HG3 MET -4 3HG MET -4 -4.917 -4.912 -1.226 7 HE1 MET -4 3HE MET -4 -6.800 -4.442 -5.114 8 HE2 MET -4 1HE MET -4 -6.688 -5.806 -4.002 9 HE3 MET -4 2HE MET -4 -8.054 -4.695 -3.900 10 H ALA -3 H ALA -3 -1.212 -4.056 -3.986 11 HA ALA -3 HA ALA -3 1.196 -3.381 -2.569 12 HB1 ALA -3 1HB ALA -3 0.529 -5.654 -1.677 13 HB2 ALA -3 2HB ALA -3 0.863 -6.281 -3.292 14 HB3 ALA -3 3HB ALA -3 2.153 -5.528 -2.354 15 H ILE -2 H ILE -2 3.088 -3.515 -3.899 16 HA ILE -2 HA ILE -2 2.458 -3.701 -6.772 17 HB ILE -2 HB ILE -2 4.536 -1.965 -5.434 18 HG12 ILE -2 2HG1 ILE -2 2.952 -0.208 -6.645 19 HG13 ILE -2 3HG1 ILE -2 1.761 -1.484 -6.421 20 HG21 ILE -2 1HG2 ILE -2 4.918 -1.031 -7.650 21 HG22 ILE -2 2HG2 ILE -2 5.241 -2.764 -7.637 22 HG23 ILE -2 3HG2 ILE -2 3.743 -2.152 -8.337 23 HD11 ILE -2 3HD1 ILE -2 3.405 -0.669 -4.089 24 HD12 ILE -2 1HD1 ILE -2 2.114 0.402 -4.630 25 HD13 ILE -2 2HD1 ILE -2 1.744 -1.256 -4.156 26 H VAL -1 H VAL -1 3.503 -5.198 -7.902 27 HA VAL -1 HA VAL -1 5.669 -6.678 -6.630 28 HB VAL -1 HB VAL -1 3.806 -7.917 -7.685 29 HG11 VAL -1 1HG1 VAL -1 3.346 -7.872 -9.964 30 HG12 VAL -1 2HG1 VAL -1 3.644 -6.174 -9.584 31 HG13 VAL -1 3HG1 VAL -1 4.899 -7.139 -10.363 32 HG21 VAL -1 3HG2 VAL -1 5.154 -9.583 -8.731 33 HG22 VAL -1 1HG2 VAL -1 6.398 -8.402 -9.141 34 HG23 VAL -1 2HG2 VAL -1 6.125 -8.847 -7.456 35 H ASN 1 H ASN 1 5.130 -4.418 -9.210 36 HA ASN 1 HA ASN 1 6.537 -3.317 -10.616 37 HB2 ASN 1 2HB ASN 1 8.832 -4.362 -8.961 38 HB3 ASN 1 3HB ASN 1 8.750 -2.864 -9.885 39 HD21 ASN 1 1HD2 ASN 1 7.847 -4.485 -6.961 40 HD22 ASN 1 2HD2 ASN 1 7.303 -3.085 -6.108 41 H GLN 2 H GLN 2 5.710 -5.764 -11.505 42 HA GLN 2 HA GLN 2 8.091 -7.060 -12.623 43 HB2 GLN 2 2HB GLN 2 6.338 -8.443 -11.472 44 HB3 GLN 2 3HB GLN 2 5.224 -8.001 -12.759 45 HG2 GLN 2 2HG GLN 2 6.078 -10.149 -13.266 46 HG3 GLN 2 3HG GLN 2 6.826 -9.010 -14.384 47 HE21 GLN 2 1HE2 GLN 2 8.590 -10.299 -14.792 48 HE22 GLN 2 2HE2 GLN 2 9.826 -10.596 -13.622 49 H ARG 3 H ARG 3 8.607 -6.907 -14.720 50 HA ARG 3 HA ARG 3 7.092 -5.101 -16.385 51 HB2 ARG 3 2HB ARG 3 8.937 -5.093 -17.830 52 HB3 ARG 3 3HB ARG 3 9.650 -5.268 -16.232 53 HG2 ARG 3 2HG ARG 3 9.619 -7.785 -16.703 54 HG3 ARG 3 3HG ARG 3 9.345 -7.326 -18.385 55 HD2 ARG 3 2HD ARG 3 11.547 -5.947 -16.973 56 HD3 ARG 3 3HD ARG 3 11.786 -7.658 -17.323 57 HE ARG 3 HE ARG 3 10.860 -6.297 -19.624 58 HH11 ARG 3 1HH1 ARG 3 13.690 -6.722 -17.643 59 HH12 ARG 3 2HH1 ARG 3 14.801 -6.401 -18.933 60 HH21 ARG 3 1HH2 ARG 3 12.312 -5.872 -21.331 61 HH22 ARG 3 2HH2 ARG 3 14.017 -5.916 -21.030 62 H ALA 4 H ALA 4 6.620 -5.683 -18.677 63 HA ALA 4 HA ALA 4 6.196 -8.475 -19.274 64 HB1 ALA 4 1HB ALA 4 4.010 -8.664 -18.878 65 HB2 ALA 4 2HB ALA 4 4.165 -7.193 -17.918 66 HB3 ALA 4 3HB ALA 4 3.661 -7.096 -19.605 67 H VAL 5 H VAL 5 5.523 -8.838 -21.466 68 HA VAL 5 HA VAL 5 6.172 -6.562 -23.211 69 HB VAL 5 HB VAL 5 7.589 -8.608 -23.400 70 HG11 VAL 5 1HG1 VAL 5 5.710 -10.132 -24.979 71 HG12 VAL 5 2HG1 VAL 5 6.728 -10.647 -23.632 72 HG13 VAL 5 3HG1 VAL 5 5.145 -9.934 -23.320 73 HG21 VAL 5 3HG2 VAL 5 7.695 -8.578 -25.777 74 HG22 VAL 5 1HG2 VAL 5 6.006 -8.089 -25.908 75 HG23 VAL 5 2HG2 VAL 5 7.202 -6.964 -25.264 76 H ALA 6 H ALA 6 4.941 -6.189 -25.109 77 HA ALA 6 HA ALA 6 2.125 -6.851 -24.777 78 HB1 ALA 6 1HB ALA 6 2.077 -5.243 -26.889 79 HB2 ALA 6 2HB ALA 6 2.204 -4.626 -25.241 80 HB3 ALA 6 3HB ALA 6 3.649 -4.772 -26.242 81 H LEU 7 H LEU 7 1.407 -8.664 -25.678 82 HA LEU 7 HA LEU 7 2.748 -9.901 -27.900 83 HB2 LEU 7 2HB LEU 7 0.060 -10.709 -26.851 84 HB3 LEU 7 3HB LEU 7 1.304 -11.713 -27.593 85 HG LEU 7 HG LEU 7 1.501 -10.465 -24.853 86 HD11 LEU 7 1HD1 LEU 7 0.910 -13.315 -25.637 87 HD12 LEU 7 2HD1 LEU 7 -0.251 -12.174 -24.960 88 HD13 LEU 7 3HD1 LEU 7 1.127 -12.706 -23.996 89 HD21 LEU 7 3HD2 LEU 7 3.225 -12.666 -25.183 90 HD22 LEU 7 1HD2 LEU 7 3.657 -10.968 -24.984 91 HD23 LEU 7 2HD2 LEU 7 3.438 -11.637 -26.601 92 H TYR 8 H TYR 8 -0.237 -8.104 -27.393 93 HA TYR 8 HA TYR 8 -0.451 -7.745 -30.288 94 HB2 TYR 8 2HB TYR 8 -2.940 -8.316 -28.708 95 HB3 TYR 8 3HB TYR 8 -2.684 -8.418 -30.446 96 HD1 TYR 8 HD1 TYR 8 -1.052 -10.262 -31.265 97 HD2 TYR 8 HD2 TYR 8 -2.859 -10.246 -27.413 98 HE1 TYR 8 HE1 TYR 8 -0.635 -12.678 -31.065 99 HE2 TYR 8 HE2 TYR 8 -2.445 -12.661 -27.202 100 HH TYR 8 HH TYR 8 -0.423 -14.377 -29.378 101 H ASP 9 H ASP 9 -1.403 -5.816 -30.924 102 HA ASP 9 HA ASP 9 -1.227 -3.674 -29.058 103 HB2 ASP 9 2HB ASP 9 -1.687 -2.239 -30.880 104 HB3 ASP 9 3HB ASP 9 -0.776 -3.579 -31.569 105 H PHE 10 H PHE 10 -2.771 -2.630 -27.931 106 HA PHE 10 HA PHE 10 -5.581 -3.303 -28.445 107 HB2 PHE 10 2HB PHE 10 -5.263 -4.699 -26.625 108 HB3 PHE 10 3HB PHE 10 -4.053 -3.647 -25.898 109 HD1 PHE 10 HD2 PHE 10 -7.663 -4.131 -26.447 110 HD2 PHE 10 HD1 PHE 10 -4.661 -1.944 -24.368 111 HE1 PHE 10 HE2 PHE 10 -9.382 -3.195 -24.956 112 HE2 PHE 10 HE1 PHE 10 -6.375 -1.005 -22.873 113 HZ PHE 10 HZ PHE 10 -8.739 -1.629 -23.167 114 H GLU 11 H GLU 11 -7.068 -1.694 -27.955 115 HA GLU 11 HA GLU 11 -5.893 0.928 -27.301 116 HB2 GLU 11 2HB GLU 11 -6.704 0.800 -29.613 117 HB3 GLU 11 3HB GLU 11 -8.292 0.314 -29.037 118 HG2 GLU 11 2HG GLU 11 -8.688 2.518 -29.345 119 HG3 GLU 11 3HG GLU 11 -8.090 2.581 -27.688 120 HA PRO 12 HA PRO 12 -8.489 0.932 -23.731 121 HB2 PRO 12 2HB PRO 12 -8.321 3.579 -23.153 122 HB3 PRO 12 3HB PRO 12 -7.001 2.444 -22.850 123 HG2 PRO 12 2HG PRO 12 -7.380 4.344 -25.133 124 HG3 PRO 12 3HG PRO 12 -5.909 3.983 -24.210 125 HD2 PRO 12 2HD PRO 12 -6.399 2.912 -26.648 126 HD3 PRO 12 3HD PRO 12 -5.493 2.047 -25.389 127 H GLU 13 H GLU 13 -10.584 1.435 -23.152 128 HA GLU 13 HA GLU 13 -12.185 2.755 -25.234 129 HB2 GLU 13 2HB GLU 13 -12.519 0.311 -23.871 130 HB3 GLU 13 3HB GLU 13 -13.769 1.385 -23.259 131 HG2 GLU 13 2HG GLU 13 -13.345 1.200 -26.197 132 HG3 GLU 13 3HG GLU 13 -14.181 -0.110 -25.365 133 H ASN 14 H ASN 14 -11.152 2.978 -21.966 134 HA ASN 14 HA ASN 14 -13.091 5.139 -21.465 135 HB2 ASN 14 2HB ASN 14 -11.633 3.295 -19.573 136 HB3 ASN 14 3HB ASN 14 -12.431 4.767 -19.026 137 HD21 ASN 14 1HD2 ASN 14 -12.792 1.520 -19.519 138 HD22 ASN 14 2HD2 ASN 14 -14.517 1.428 -19.525 139 H ASP 15 H ASP 15 -12.119 6.751 -19.764 140 HA ASP 15 HA ASP 15 -9.712 7.823 -20.992 141 HB2 ASP 15 2HB ASP 15 -11.753 8.912 -19.070 142 HB3 ASP 15 3HB ASP 15 -10.223 9.746 -19.335 143 H ASN 16 H ASN 16 -10.040 5.518 -18.867 144 HA ASN 16 HA ASN 16 -7.791 6.438 -17.202 145 HB2 ASN 16 2HB ASN 16 -8.835 4.669 -15.532 146 HB3 ASN 16 3HB ASN 16 -9.417 6.331 -15.575 147 HD21 ASN 16 1HD2 ASN 16 -10.235 3.078 -15.861 148 HD22 ASN 16 2HD2 ASN 16 -11.864 3.276 -16.400 149 H GLU 17 H GLU 17 -8.282 4.682 -19.725 150 HA GLU 17 HA GLU 17 -6.862 2.285 -18.782 151 HB2 GLU 17 2HB GLU 17 -8.592 2.793 -21.193 152 HB3 GLU 17 3HB GLU 17 -7.521 1.402 -21.101 153 HG2 GLU 17 2HG GLU 17 -8.706 0.905 -18.874 154 HG3 GLU 17 3HG GLU 17 -9.936 2.027 -19.453 155 H LEU 18 H LEU 18 -5.068 1.497 -19.993 156 HA LEU 18 HA LEU 18 -3.594 3.645 -21.346 157 HB2 LEU 18 2HB LEU 18 -2.758 2.273 -19.270 158 HB3 LEU 18 3HB LEU 18 -2.331 1.080 -20.496 159 HG LEU 18 HG LEU 18 -1.350 3.709 -21.200 160 HD11 LEU 18 1HD1 LEU 18 -0.602 2.593 -18.509 161 HD12 LEU 18 2HD1 LEU 18 -1.197 4.209 -18.892 162 HD13 LEU 18 3HD1 LEU 18 0.418 3.719 -19.406 163 HD21 LEU 18 3HD2 LEU 18 0.421 2.514 -21.941 164 HD22 LEU 18 1HD2 LEU 18 -0.710 1.170 -21.780 165 HD23 LEU 18 2HD2 LEU 18 0.469 1.487 -20.507 166 H ARG 19 H ARG 19 -2.440 3.222 -23.276 167 HA ARG 19 HA ARG 19 -3.764 1.276 -24.981 168 HB2 ARG 19 2HB ARG 19 -1.623 3.263 -25.747 169 HB3 ARG 19 3HB ARG 19 -2.729 2.419 -26.822 170 HG2 ARG 19 2HG ARG 19 -4.406 3.866 -26.451 171 HG3 ARG 19 3HG ARG 19 -4.007 4.055 -24.742 172 HD2 ARG 19 2HD ARG 19 -1.863 5.220 -26.001 173 HD3 ARG 19 3HD ARG 19 -3.212 5.660 -27.047 174 HE ARG 19 HE ARG 19 -3.845 6.123 -24.320 175 HH11 ARG 19 1HH1 ARG 19 -2.019 7.408 -26.991 176 HH12 ARG 19 2HH1 ARG 19 -2.086 9.042 -26.420 177 HH21 ARG 19 1HH2 ARG 19 -3.940 8.271 -23.558 178 HH22 ARG 19 2HH2 ARG 19 -3.178 9.532 -24.467 179 H LEU 20 H LEU 20 -2.587 -0.196 -26.338 180 HA LEU 20 HA LEU 20 0.130 -0.845 -25.454 181 HB2 LEU 20 2HB LEU 20 -2.111 -2.279 -24.640 182 HB3 LEU 20 3HB LEU 20 -1.422 -3.236 -25.950 183 HG LEU 20 HG LEU 20 0.653 -3.466 -24.777 184 HD11 LEU 20 1HD1 LEU 20 -0.415 -1.235 -23.184 185 HD12 LEU 20 2HD1 LEU 20 1.247 -1.633 -23.615 186 HD13 LEU 20 3HD1 LEU 20 0.459 -2.472 -22.279 187 HD21 LEU 20 3HD2 LEU 20 -0.479 -5.188 -23.896 188 HD22 LEU 20 1HD2 LEU 20 -1.886 -4.196 -23.513 189 HD23 LEU 20 2HD2 LEU 20 -0.498 -4.217 -22.424 190 H ALA 21 H ALA 21 1.393 -1.938 -26.983 191 HA ALA 21 HA ALA 21 0.204 -2.412 -29.617 192 HB1 ALA 21 1HB ALA 21 1.072 -0.534 -30.436 193 HB2 ALA 21 2HB ALA 21 1.989 -0.233 -28.960 194 HB3 ALA 21 3HB ALA 21 2.660 -1.270 -30.218 195 H GLU 22 H GLU 22 1.072 -4.106 -30.708 196 HA GLU 22 HA GLU 22 2.445 -6.103 -29.405 197 HB2 GLU 22 2HB GLU 22 1.227 -6.427 -31.516 198 HB3 GLU 22 3HB GLU 22 2.469 -5.525 -32.373 199 HG2 GLU 22 2HG GLU 22 3.836 -7.529 -30.999 200 HG3 GLU 22 3HG GLU 22 2.393 -8.305 -31.648 201 H GLY 23 H GLY 23 4.445 -6.247 -28.648 202 HA2 GLY 23 2HA GLY 23 6.800 -6.267 -28.903 203 HA3 GLY 23 3HA GLY 23 6.646 -5.072 -30.183 204 H ASP 24 H ASP 24 4.662 -4.042 -27.792 205 HA ASP 24 HA ASP 24 6.589 -2.056 -26.920 206 HB2 ASP 24 2HB ASP 24 3.622 -2.364 -26.427 207 HB3 ASP 24 3HB ASP 24 4.591 -1.044 -25.777 208 H ILE 25 H ILE 25 7.204 -1.677 -24.795 209 HA ILE 25 HA ILE 25 6.889 -3.989 -23.012 210 HB ILE 25 HB ILE 25 8.924 -1.759 -22.915 211 HG12 ILE 25 2HG1 ILE 25 8.932 -3.654 -24.767 212 HG13 ILE 25 3HG1 ILE 25 10.423 -3.133 -23.991 213 HG21 ILE 25 1HG2 ILE 25 8.481 -4.180 -21.195 214 HG22 ILE 25 2HG2 ILE 25 10.046 -3.376 -21.296 215 HG23 ILE 25 3HG2 ILE 25 8.639 -2.493 -20.704 216 HD11 ILE 25 3HD1 ILE 25 10.463 -5.036 -22.592 217 HD12 ILE 25 1HD1 ILE 25 8.817 -5.482 -23.038 218 HD13 ILE 25 2HD1 ILE 25 10.117 -5.609 -24.223 219 H VAL 26 H VAL 26 6.087 -3.800 -20.969 220 HA VAL 26 HA VAL 26 5.402 -1.142 -19.956 221 HB VAL 26 HB VAL 26 3.144 -2.208 -19.223 222 HG11 VAL 26 1HG1 VAL 26 2.639 -0.489 -20.561 223 HG12 VAL 26 2HG1 VAL 26 3.969 -0.842 -21.666 224 HG13 VAL 26 3HG1 VAL 26 2.437 -1.703 -21.824 225 HG21 VAL 26 3HG2 VAL 26 3.800 -3.880 -21.647 226 HG22 VAL 26 1HG2 VAL 26 3.650 -4.469 -19.992 227 HG23 VAL 26 2HG2 VAL 26 2.240 -3.818 -20.827 228 H PHE 27 H PHE 27 4.730 -1.194 -17.665 229 HA PHE 27 HA PHE 27 5.972 -3.455 -16.240 230 HB2 PHE 27 2HB PHE 27 5.916 -0.537 -15.445 231 HB3 PHE 27 3HB PHE 27 6.575 -1.839 -14.461 232 HD1 PHE 27 HD1 PHE 27 8.351 -3.346 -15.775 233 HD2 PHE 27 HD2 PHE 27 7.397 0.705 -16.670 234 HE1 PHE 27 HE1 PHE 27 10.533 -3.080 -16.882 235 HE2 PHE 27 HE2 PHE 27 9.576 0.977 -17.779 236 HZ PHE 27 HZ PHE 27 11.147 -0.917 -17.886 237 H ILE 28 H ILE 28 4.393 -4.661 -15.413 238 HA ILE 28 HA ILE 28 1.819 -3.624 -14.740 239 HB ILE 28 HB ILE 28 2.909 -6.290 -13.860 240 HG12 ILE 28 2HG1 ILE 28 3.370 -6.054 -16.248 241 HG13 ILE 28 3HG1 ILE 28 2.063 -7.204 -15.990 242 HG21 ILE 28 1HG2 ILE 28 0.154 -5.208 -14.394 243 HG22 ILE 28 2HG2 ILE 28 0.495 -6.927 -14.205 244 HG23 ILE 28 3HG2 ILE 28 0.809 -5.815 -12.874 245 HD11 ILE 28 3HD1 ILE 28 0.688 -4.885 -16.315 246 HD12 ILE 28 1HD1 ILE 28 2.067 -4.639 -17.386 247 HD13 ILE 28 2HD1 ILE 28 1.029 -6.050 -17.594 248 H SER 29 H SER 29 1.717 -2.220 -13.084 249 HA SER 29 HA SER 29 3.366 -2.281 -10.796 250 HB2 SER 29 2HB SER 29 0.809 -0.865 -11.492 251 HB3 SER 29 3HB SER 29 1.464 -0.765 -9.858 252 HG SER 29 HG SER 29 3.032 0.471 -10.555 253 H TYR 30 H TYR 30 0.126 -3.532 -11.434 254 HA TYR 30 HA TYR 30 0.343 -5.593 -9.527 255 HB2 TYR 30 2HB TYR 30 -1.157 -4.867 -7.803 256 HB3 TYR 30 3HB TYR 30 0.080 -3.628 -7.985 257 HD1 TYR 30 HD1 TYR 30 -3.452 -4.461 -8.599 258 HD2 TYR 30 HD2 TYR 30 -0.477 -1.423 -8.756 259 HE1 TYR 30 HE1 TYR 30 -5.207 -2.767 -8.916 260 HE2 TYR 30 HE2 TYR 30 -2.224 0.279 -9.072 261 HH TYR 30 HH TYR 30 -5.628 -0.511 -8.823 262 H LYS 31 H LYS 31 -1.423 -7.019 -9.575 263 HA LYS 31 HA LYS 31 -3.031 -6.804 -11.962 264 HB2 LYS 31 2HB LYS 31 -2.175 -8.967 -11.557 265 HB3 LYS 31 3HB LYS 31 -2.663 -8.934 -9.867 266 HG2 LYS 31 2HG LYS 31 -4.940 -9.234 -10.421 267 HG3 LYS 31 3HG LYS 31 -4.639 -8.917 -12.131 268 HD2 LYS 31 2HD LYS 31 -3.495 -10.973 -12.404 269 HD3 LYS 31 3HD LYS 31 -3.399 -11.232 -10.661 270 HE2 LYS 31 2HE LYS 31 -6.088 -11.006 -11.039 271 HE3 LYS 31 3HE LYS 31 -5.584 -11.785 -12.539 272 HZ1 LYS 31 3HZ LYS 31 -5.255 -12.761 -9.767 273 HZ2 LYS 31 1HZ LYS 31 -4.335 -13.387 -11.042 274 HZ3 LYS 31 2HZ LYS 31 -6.021 -13.524 -11.069 275 H HIS 32 H HIS 32 -5.256 -6.665 -12.084 276 HA HIS 32 HA HIS 32 -6.706 -6.174 -9.576 277 HB2 HIS 32 2HB HIS 32 -6.006 -4.048 -10.879 278 HB3 HIS 32 3HB HIS 32 -7.249 -4.525 -12.032 279 HD1 HIS 32 HD1 HIS 32 -7.151 -4.215 -8.230 280 HD2 HIS 32 HD2 HIS 32 -9.521 -3.191 -11.485 281 HE1 HIS 32 HE1 HIS 32 -9.138 -3.016 -7.263 282 H GLY 33 H GLY 33 -8.980 -6.560 -9.671 283 HA2 GLY 33 2HA GLY 33 -9.711 -8.855 -11.094 284 HA3 GLY 33 3HA GLY 33 -10.830 -7.773 -10.278 285 H GLN 34 H GLN 34 -12.060 -8.666 -12.261 286 HA GLN 34 HA GLN 34 -13.161 -8.154 -14.186 287 HB2 GLN 34 2HB GLN 34 -11.647 -5.545 -14.187 288 HB3 GLN 34 3HB GLN 34 -13.183 -5.893 -14.970 289 HG2 GLN 34 2HG GLN 34 -13.765 -6.464 -12.381 290 HG3 GLN 34 3HG GLN 34 -12.601 -5.153 -12.199 291 HE21 GLN 34 1HE2 GLN 34 -15.109 -4.738 -11.346 292 HE22 GLN 34 2HE2 GLN 34 -15.946 -3.654 -12.399 293 H GLY 35 H GLY 35 -10.153 -9.028 -14.013 294 HA2 GLY 35 2HA GLY 35 -8.664 -9.865 -15.553 295 HA3 GLY 35 3HA GLY 35 -9.870 -9.545 -16.791 296 H TRP 36 H TRP 36 -8.657 -7.028 -14.700 297 HA TRP 36 HA TRP 36 -7.124 -5.940 -16.970 298 HB2 TRP 36 2HB TRP 36 -8.929 -4.492 -15.029 299 HB3 TRP 36 3HB TRP 36 -7.770 -3.663 -16.065 300 HD1 TRP 36 HD1 TRP 36 -11.221 -5.127 -16.069 301 HE1 TRP 36 HE1 TRP 36 -12.276 -4.862 -18.402 302 HE3 TRP 36 HE3 TRP 36 -7.068 -3.685 -18.679 303 HZ2 TRP 36 HZ2 TRP 36 -11.456 -4.139 -21.004 304 HZ3 TRP 36 HZ3 TRP 36 -7.288 -3.226 -21.086 305 HH2 TRP 36 HH2 TRP 36 -9.437 -3.450 -22.223 306 H LEU 37 H LEU 37 -5.116 -5.180 -16.553 307 HA LEU 37 HA LEU 37 -4.234 -5.190 -13.741 308 HB2 LEU 37 2HB LEU 37 -2.311 -5.680 -15.958 309 HB3 LEU 37 3HB LEU 37 -2.263 -6.232 -14.284 310 HG LEU 37 HG LEU 37 -3.927 -7.361 -16.531 311 HD11 LEU 37 1HD1 LEU 37 -2.528 -9.407 -15.455 312 HD12 LEU 37 2HD1 LEU 37 -1.390 -8.079 -15.232 313 HD13 LEU 37 3HD1 LEU 37 -1.993 -8.462 -16.844 314 HD21 LEU 37 3HD2 LEU 37 -5.389 -7.971 -14.964 315 HD22 LEU 37 1HD2 LEU 37 -4.330 -7.436 -13.659 316 HD23 LEU 37 2HD2 LEU 37 -4.134 -9.047 -14.348 317 H VAL 38 H VAL 38 -3.230 -3.415 -13.001 318 HA VAL 38 HA VAL 38 -3.096 -1.093 -14.703 319 HB VAL 38 HB VAL 38 -2.190 -1.360 -11.834 320 HG11 VAL 38 1HG1 VAL 38 -1.279 0.618 -12.710 321 HG12 VAL 38 2HG1 VAL 38 -2.738 0.983 -13.632 322 HG13 VAL 38 3HG1 VAL 38 -2.745 1.128 -11.874 323 HG21 VAL 38 3HG2 VAL 38 -4.476 -0.190 -11.468 324 HG22 VAL 38 1HG2 VAL 38 -4.886 -0.879 -13.038 325 HG23 VAL 38 2HG2 VAL 38 -4.432 -1.937 -11.703 326 H ALA 39 H ALA 39 -1.440 -0.889 -16.065 327 HA ALA 39 HA ALA 39 1.275 -1.322 -15.016 328 HB1 ALA 39 1HB ALA 39 0.968 -1.818 -17.887 329 HB2 ALA 39 2HB ALA 39 1.874 -2.715 -16.668 330 HB3 ALA 39 3HB ALA 39 0.140 -2.982 -16.852 331 H GLU 40 H GLU 40 2.953 -0.180 -16.321 332 HA GLU 40 HA GLU 40 1.888 2.348 -17.400 333 HB2 GLU 40 2HB GLU 40 3.740 3.527 -16.455 334 HB3 GLU 40 3HB GLU 40 3.034 2.546 -15.178 335 HG2 GLU 40 2HG GLU 40 5.017 0.969 -16.394 336 HG3 GLU 40 3HG GLU 40 5.712 2.573 -16.165 337 H ASN 41 H ASN 41 3.171 3.390 -19.040 338 HA ASN 41 HA ASN 41 4.091 1.585 -21.020 339 HB2 ASN 41 2HB ASN 41 4.291 3.435 -22.414 340 HB3 ASN 41 3HB ASN 41 3.076 3.979 -21.261 341 HD21 ASN 41 1HD2 ASN 41 4.618 4.610 -19.093 342 HD22 ASN 41 2HD2 ASN 41 5.650 5.940 -19.481 343 H GLU 42 H GLU 42 6.302 2.480 -22.178 344 HA GLU 42 HA GLU 42 8.377 1.488 -20.515 345 HB2 GLU 42 2HB GLU 42 8.120 1.525 -23.135 346 HB3 GLU 42 3HB GLU 42 8.959 3.063 -22.989 347 HG2 GLU 42 2HG GLU 42 10.642 1.675 -21.554 348 HG3 GLU 42 3HG GLU 42 9.936 0.310 -22.418 349 H SER 43 H SER 43 7.381 4.715 -21.508 350 HA SER 43 HA SER 43 9.590 6.173 -20.646 351 HB2 SER 43 2HB SER 43 7.403 6.910 -21.902 352 HB3 SER 43 3HB SER 43 6.827 7.273 -20.275 353 HG SER 43 HG SER 43 9.124 8.325 -21.564 354 H GLY 44 H GLY 44 7.161 4.543 -18.829 355 HA2 GLY 44 2HA GLY 44 6.979 4.177 -16.565 356 HA3 GLY 44 3HA GLY 44 8.532 4.977 -16.375 357 H SER 45 H SER 45 6.371 6.926 -18.052 358 HA SER 45 HA SER 45 5.808 8.451 -15.599 359 HB2 SER 45 2HB SER 45 6.291 9.285 -18.446 360 HB3 SER 45 3HB SER 45 5.422 10.347 -17.338 361 HG SER 45 HG SER 45 7.937 10.310 -17.573 362 H LYS 46 H LYS 46 4.399 6.839 -18.306 363 HA LYS 46 HA LYS 46 1.744 7.906 -17.634 364 HB2 LYS 46 2HB LYS 46 1.696 8.142 -19.877 365 HB3 LYS 46 3HB LYS 46 3.020 7.009 -20.119 366 HG2 LYS 46 2HG LYS 46 1.581 5.158 -20.130 367 HG3 LYS 46 3HG LYS 46 0.247 6.086 -19.439 368 HD2 LYS 46 2HD LYS 46 1.416 6.835 -22.095 369 HD3 LYS 46 3HD LYS 46 0.223 5.540 -21.971 370 HE2 LYS 46 2HE LYS 46 -0.368 8.129 -20.633 371 HE3 LYS 46 3HE LYS 46 -0.481 8.059 -22.391 372 HZ1 LYS 46 3HZ LYS 46 -2.599 7.573 -21.299 373 HZ2 LYS 46 1HZ LYS 46 -1.903 6.241 -20.522 374 HZ3 LYS 46 2HZ LYS 46 -2.051 6.256 -22.207 375 H THR 47 H THR 47 0.395 6.682 -16.505 376 HA THR 47 HA THR 47 0.773 3.759 -16.546 377 HB THR 47 HB THR 47 -0.276 5.225 -14.137 378 HG1 THR 47 HG1 THR 47 2.002 4.819 -13.382 379 HG21 THR 47 3HG2 THR 47 -0.718 3.034 -13.721 380 HG22 THR 47 1HG2 THR 47 0.968 3.042 -13.204 381 HG23 THR 47 2HG2 THR 47 0.542 2.460 -14.814 382 H GLY 48 H GLY 48 -1.118 2.477 -16.278 383 HA2 GLY 48 2HA GLY 48 -3.719 3.536 -15.998 384 HA3 GLY 48 3HA GLY 48 -3.355 3.353 -17.708 385 H LEU 49 H LEU 49 -5.167 1.840 -17.672 386 HA LEU 49 HA LEU 49 -4.558 -0.743 -16.426 387 HB2 LEU 49 2HB LEU 49 -7.094 0.191 -17.761 388 HB3 LEU 49 3HB LEU 49 -6.872 -1.323 -16.885 389 HG LEU 49 HG LEU 49 -6.388 1.215 -15.415 390 HD11 LEU 49 1HD1 LEU 49 -8.418 1.803 -16.506 391 HD12 LEU 49 2HD1 LEU 49 -8.830 1.299 -14.867 392 HD13 LEU 49 3HD1 LEU 49 -9.106 0.204 -16.222 393 HD21 LEU 49 3HD2 LEU 49 -7.906 -1.202 -14.507 394 HD22 LEU 49 1HD2 LEU 49 -6.986 -0.038 -13.553 395 HD23 LEU 49 2HD2 LEU 49 -6.143 -1.210 -14.567 396 H VAL 50 H VAL 50 -4.081 -2.521 -17.585 397 HA VAL 50 HA VAL 50 -4.389 -2.415 -20.507 398 HB VAL 50 HB VAL 50 -2.208 -3.321 -20.889 399 HG11 VAL 50 1HG1 VAL 50 -1.254 -1.313 -20.789 400 HG12 VAL 50 2HG1 VAL 50 -2.654 -0.776 -19.859 401 HG13 VAL 50 3HG1 VAL 50 -1.208 -1.350 -19.027 402 HG21 VAL 50 3HG2 VAL 50 -0.622 -3.756 -19.064 403 HG22 VAL 50 1HG2 VAL 50 -1.883 -3.378 -17.890 404 HG23 VAL 50 2HG2 VAL 50 -2.054 -4.779 -18.948 405 HA PRO 51 HA PRO 51 -6.029 -6.475 -20.168 406 HB2 PRO 51 2HB PRO 51 -5.290 -7.528 -22.558 407 HB3 PRO 51 3HB PRO 51 -6.561 -6.311 -22.397 408 HG2 PRO 51 2HG PRO 51 -3.696 -5.963 -23.190 409 HG3 PRO 51 3HG PRO 51 -5.148 -5.226 -23.891 410 HD2 PRO 51 2HD PRO 51 -3.533 -3.907 -22.163 411 HD3 PRO 51 3HD PRO 51 -5.284 -3.624 -22.239 412 H GLU 52 H GLU 52 -5.463 -8.512 -19.522 413 HA GLU 52 HA GLU 52 -2.623 -8.987 -19.088 414 HB2 GLU 52 2HB GLU 52 -4.229 -9.277 -17.225 415 HB3 GLU 52 3HB GLU 52 -5.018 -10.563 -18.128 416 HG2 GLU 52 2HG GLU 52 -2.103 -10.716 -17.480 417 HG3 GLU 52 3HG GLU 52 -3.323 -11.180 -16.296 418 H GLU 53 H GLU 53 -5.277 -10.188 -20.990 419 HA GLU 53 HA GLU 53 -3.858 -12.575 -21.814 420 HB2 GLU 53 2HB GLU 53 -6.571 -11.620 -21.916 421 HB3 GLU 53 3HB GLU 53 -6.060 -12.131 -23.518 422 HG2 GLU 53 2HG GLU 53 -6.037 -13.773 -20.999 423 HG3 GLU 53 3HG GLU 53 -7.094 -13.975 -22.395 424 H PHE 54 H PHE 54 -3.238 -9.541 -22.466 425 HA PHE 54 HA PHE 54 -2.679 -10.025 -25.319 426 HB2 PHE 54 2HB PHE 54 -3.893 -7.734 -23.961 427 HB3 PHE 54 3HB PHE 54 -2.555 -7.286 -25.014 428 HD1 PHE 54 HD1 PHE 54 -4.923 -10.085 -25.514 429 HD2 PHE 54 HD2 PHE 54 -3.695 -6.201 -26.750 430 HE1 PHE 54 HE1 PHE 54 -6.413 -10.238 -27.465 431 HE2 PHE 54 HE2 PHE 54 -5.184 -6.348 -28.703 432 HZ PHE 54 HZ PHE 54 -6.546 -8.368 -29.062 433 H VAL 55 H VAL 55 -1.312 -9.822 -22.341 434 HA VAL 55 HA VAL 55 1.258 -8.909 -23.460 435 HB VAL 55 HB VAL 55 1.849 -8.186 -21.118 436 HG11 VAL 55 1HG1 VAL 55 0.636 -6.823 -23.147 437 HG12 VAL 55 2HG1 VAL 55 -0.420 -6.460 -21.781 438 HG13 VAL 55 3HG1 VAL 55 1.302 -6.089 -21.689 439 HG21 VAL 55 3HG2 VAL 55 0.211 -9.367 -19.839 440 HG22 VAL 55 1HG2 VAL 55 -0.098 -7.642 -19.646 441 HG23 VAL 55 2HG2 VAL 55 -1.110 -8.604 -20.723 442 H SER 56 H SER 56 3.133 -9.699 -22.027 443 HA SER 56 HA SER 56 2.628 -12.336 -20.874 444 HB2 SER 56 2HB SER 56 3.179 -13.082 -23.016 445 HB3 SER 56 3HB SER 56 4.335 -11.777 -23.280 446 HG SER 56 HG SER 56 5.837 -12.871 -22.235 447 H TYR 57 H TYR 57 3.532 -12.330 -18.935 448 HA TYR 57 HA TYR 57 5.270 -10.405 -17.950 449 HB2 TYR 57 2HB TYR 57 4.446 -13.128 -17.056 450 HB3 TYR 57 3HB TYR 57 5.821 -12.377 -16.255 451 HD1 TYR 57 HD1 TYR 57 2.751 -10.732 -17.555 452 HD2 TYR 57 HD2 TYR 57 4.985 -11.887 -14.124 453 HE1 TYR 57 HE1 TYR 57 1.212 -9.448 -16.129 454 HE2 TYR 57 HE2 TYR 57 3.451 -10.608 -12.688 455 HH TYR 57 HH TYR 57 0.475 -9.493 -13.710 456 H ILE 58 H ILE 58 7.421 -10.123 -17.947 457 HA ILE 58 HA ILE 58 9.041 -12.098 -19.398 458 HB ILE 58 HB ILE 58 9.754 -9.233 -18.768 459 HG12 ILE 58 2HG1 ILE 58 8.750 -10.376 -21.382 460 HG13 ILE 58 3HG1 ILE 58 7.750 -9.466 -20.254 461 HG21 ILE 58 1HG2 ILE 58 11.253 -9.841 -20.878 462 HG22 ILE 58 2HG2 ILE 58 11.778 -10.159 -19.225 463 HG23 ILE 58 3HG2 ILE 58 11.090 -11.460 -20.197 464 HD11 ILE 58 3HD1 ILE 58 9.638 -7.669 -20.532 465 HD12 ILE 58 1HD1 ILE 58 9.927 -8.531 -22.044 466 HD13 ILE 58 2HD1 ILE 58 8.343 -7.825 -21.719 467 H GLN 59 H GLN 59 11.042 -12.782 -18.593 468 HA GLN 59 HA GLN 59 11.585 -12.149 -15.774 469 HB2 GLN 59 2HB GLN 59 11.003 -14.761 -16.998 470 HB3 GLN 59 3HB GLN 59 12.427 -14.738 -15.965 471 HG2 GLN 59 2HG GLN 59 11.224 -14.347 -14.072 472 HG3 GLN 59 3HG GLN 59 9.938 -13.500 -14.931 473 HE21 GLN 59 1HE2 GLN 59 9.083 -15.208 -16.768 474 HE22 GLN 59 2HE2 GLN 59 8.489 -16.664 -16.054 475 HA PRO 60 HA PRO 60 15.794 -11.626 -16.888 476 HB2 PRO 60 2HB PRO 60 17.105 -12.684 -14.760 477 HB3 PRO 60 3HB PRO 60 16.224 -11.154 -14.682 478 HG2 PRO 60 2HG PRO 60 15.365 -13.881 -13.794 479 HG3 PRO 60 3HG PRO 60 15.160 -12.321 -12.975 480 HD2 PRO 60 2HD PRO 60 13.165 -13.508 -14.369 481 HD3 PRO 60 3HD PRO 60 13.335 -11.745 -14.260 482 H GLU 61 H GLU 61 16.425 -14.518 -15.028 483 HA GLU 61 HA GLU 61 17.054 -15.975 -17.506 484 HB2 GLU 61 2HB GLU 61 18.768 -15.533 -15.087 485 HB3 GLU 61 3HB GLU 61 18.963 -16.994 -16.045 486 HG2 GLU 61 2HG GLU 61 19.605 -15.779 -17.956 487 HG3 GLU 61 3HG GLU 61 19.069 -14.252 -17.257 488 H LEU 62 H LEU 62 14.782 -16.027 -15.548 489 HA LEU 62 HA LEU 62 14.857 -18.916 -15.048 490 HB2 LEU 62 2HB LEU 62 13.602 -18.487 -12.911 491 HB3 LEU 62 3HB LEU 62 15.308 -18.045 -12.907 492 HG LEU 62 HG LEU 62 14.373 -15.661 -13.480 493 HD11 LEU 62 1HD1 LEU 62 12.060 -16.318 -13.763 494 HD12 LEU 62 2HD1 LEU 62 12.219 -15.242 -12.375 495 HD13 LEU 62 3HD1 LEU 62 12.022 -16.977 -12.127 496 HD21 LEU 62 3HD2 LEU 62 15.057 -15.188 -11.412 497 HD22 LEU 62 1HD2 LEU 62 15.289 -16.924 -11.202 498 HD23 LEU 62 2HD2 LEU 62 13.784 -16.166 -10.681 499 H GLU 63 H GLU 63 12.503 -19.585 -14.286 500 HA GLU 63 HA GLU 63 10.402 -18.063 -15.565 501 HB2 GLU 63 2HB GLU 63 11.314 -19.290 -17.467 502 HB3 GLU 63 3HB GLU 63 11.173 -20.803 -16.583 503 HG2 GLU 63 2HG GLU 63 9.352 -20.755 -18.056 504 HG3 GLU 63 3HG GLU 63 8.690 -20.357 -16.472 505 H1 GLY -9 H GLY -9 -8.058 1.640 -6.891 506 HA2 GLY -9 2HA GLY -9 -8.257 4.182 -6.039 507 HA3 GLY -9 3HA GLY -9 -6.794 3.583 -6.807 508 H LYS -8 H LYS -8 -6.094 5.081 -8.175 509 HA LYS -8 HA LYS -8 -7.556 7.126 -9.325 510 HB2 LYS -8 2HB LYS -8 -5.687 7.284 -10.980 511 HB3 LYS -8 3HB LYS -8 -5.161 7.227 -9.302 512 HG2 LYS -8 2HG LYS -8 -4.877 4.703 -9.693 513 HG3 LYS -8 3HG LYS -8 -4.959 5.110 -11.408 514 HD2 LYS -8 2HD LYS -8 -2.943 6.167 -11.393 515 HD3 LYS -8 3HD LYS -8 -3.122 6.715 -9.724 516 HE2 LYS -8 2HE LYS -8 -2.796 4.307 -9.034 517 HE3 LYS -8 3HE LYS -8 -2.336 3.979 -10.704 518 HZ1 LYS -8 3HZ LYS -8 -0.825 5.221 -8.607 519 HZ2 LYS -8 1HZ LYS -8 -0.817 6.127 -10.036 520 HZ3 LYS -8 2HZ LYS -8 -0.292 4.520 -10.051 521 H PHE -7 H PHE -7 -6.837 3.912 -10.627 522 HA PHE -7 HA PHE -7 -8.538 4.469 -12.944 523 HB2 PHE -7 2HB PHE -7 -6.936 1.960 -12.456 524 HB3 PHE -7 3HB PHE -7 -7.562 2.567 -13.985 525 HD1 PHE -7 HD2 PHE -7 -6.721 5.209 -14.286 526 HD2 PHE -7 HD1 PHE -7 -4.656 2.028 -12.354 527 HE1 PHE -7 HE2 PHE -7 -4.581 6.344 -14.712 528 HE2 PHE -7 HE1 PHE -7 -2.512 3.159 -12.777 529 HZ PHE -7 HZ PHE -7 -2.472 5.319 -13.958 530 H ILE -6 H ILE -6 -10.056 2.748 -13.633 531 HA ILE -6 HA ILE -6 -10.977 0.775 -11.828 532 HB ILE -6 HB ILE -6 -11.839 2.579 -10.506 533 HG12 ILE -6 2HG1 ILE -6 -14.223 2.069 -10.519 534 HG13 ILE -6 3HG1 ILE -6 -14.103 1.435 -12.157 535 HG21 ILE -6 1HG2 ILE -6 -12.318 4.537 -11.432 536 HG22 ILE -6 2HG2 ILE -6 -12.234 3.825 -13.043 537 HG23 ILE -6 3HG2 ILE -6 -13.758 3.821 -12.156 538 HD11 ILE -6 3HD1 ILE -6 -13.086 -0.500 -11.478 539 HD12 ILE -6 1HD1 ILE -6 -12.435 0.228 -10.009 540 HD13 ILE -6 2HD1 ILE -6 -14.150 -0.172 -10.110 541 HA PRO -5 HA PRO -5 -12.275 0.178 -16.182 542 HB2 PRO -5 2HB PRO -5 -11.840 -2.501 -16.157 543 HB3 PRO -5 3HB PRO -5 -10.559 -1.323 -16.465 544 HG2 PRO -5 2HG PRO -5 -11.233 -2.770 -13.933 545 HG3 PRO -5 3HG PRO -5 -9.643 -2.454 -14.651 546 HD2 PRO -5 2HD PRO -5 -10.638 -0.981 -12.608 547 HD3 PRO -5 3HD PRO -5 -9.571 -0.294 -13.850 548 H SER -4 H SER -4 -14.210 -0.571 -16.964 549 HA SER -4 HA SER -4 -15.897 -2.207 -15.221 550 HB2 SER -4 2HB SER -4 -16.586 0.014 -14.623 551 HB3 SER -4 3HB SER -4 -16.661 0.508 -16.314 552 HG SER -4 HG SER -4 -18.729 0.008 -15.408 553 H ARG -3 H ARG -3 -14.951 -3.535 -17.131 554 HA ARG -3 HA ARG -3 -17.055 -4.234 -18.832 555 HB2 ARG -3 2HB ARG -3 -16.011 -3.557 -21.024 556 HB3 ARG -3 3HB ARG -3 -16.689 -2.239 -20.078 557 HG2 ARG -3 2HG ARG -3 -14.330 -1.862 -19.204 558 HG3 ARG -3 3HG ARG -3 -13.804 -2.937 -20.501 559 HD2 ARG -3 2HD ARG -3 -15.621 -1.006 -21.562 560 HD3 ARG -3 3HD ARG -3 -14.370 -0.173 -20.639 561 HE ARG -3 HE ARG -3 -12.825 -0.794 -22.222 562 HH11 ARG -3 1HH1 ARG -3 -15.776 -2.575 -22.708 563 HH12 ARG -3 2HH1 ARG -3 -15.285 -3.226 -24.237 564 HH21 ARG -3 1HH2 ARG -3 -12.167 -1.644 -24.234 565 HH22 ARG -3 2HH2 ARG -3 -13.231 -2.697 -25.103 566 HA PRO -2 HA PRO -2 -14.569 -7.830 -19.222 567 HB2 PRO -2 2HB PRO -2 -15.469 -8.854 -21.569 568 HB3 PRO -2 3HB PRO -2 -16.424 -8.878 -20.082 569 HG2 PRO -2 2HG PRO -2 -16.576 -6.990 -22.400 570 HG3 PRO -2 3HG PRO -2 -17.893 -7.752 -21.489 571 HD2 PRO -2 2HD PRO -2 -17.113 -5.195 -21.060 572 HD3 PRO -2 3HD PRO -2 -17.749 -6.229 -19.765 573 H ALA -1 H ALA -1 -12.506 -8.091 -19.784 574 HA ALA -1 HA ALA -1 -11.175 -6.417 -21.607 575 HB1 ALA -1 1HB ALA -1 -10.177 -9.087 -20.638 576 HB2 ALA -1 2HB ALA -1 -9.224 -7.693 -21.151 577 HB3 ALA -1 3HB ALA -1 -10.153 -7.623 -19.654 578 HA PRO 0 HA PRO 0 -11.752 -8.333 -25.517 579 HB2 PRO 0 2HB PRO 0 -9.390 -7.750 -26.721 580 HB3 PRO 0 3HB PRO 0 -10.639 -6.537 -26.419 581 HG2 PRO 0 2HG PRO 0 -8.154 -7.126 -24.858 582 HG3 PRO 0 3HG PRO 0 -8.846 -5.557 -25.309 583 HD2 PRO 0 2HD PRO 0 -9.156 -6.629 -22.843 584 HD3 PRO 0 3HD PRO 0 -10.391 -5.604 -23.600 585 H LYS 1 H LYS 1 -10.574 -9.819 -27.116 586 HA LYS 1 HA LYS 1 -9.004 -11.827 -25.636 587 HB2 LYS 1 2HB LYS 1 -10.116 -13.548 -27.073 588 HB3 LYS 1 3HB LYS 1 -11.200 -12.737 -25.951 589 HG2 LYS 1 2HG LYS 1 -12.122 -11.397 -27.696 590 HG3 LYS 1 3HG LYS 1 -10.906 -11.963 -28.844 591 HD2 LYS 1 2HD LYS 1 -11.844 -14.308 -28.367 592 HD3 LYS 1 3HD LYS 1 -13.224 -13.462 -27.662 593 HE2 LYS 1 2HE LYS 1 -12.288 -12.669 -30.376 594 HE3 LYS 1 3HE LYS 1 -13.199 -14.169 -30.200 595 HZ1 LYS 1 3HZ LYS 1 -14.071 -11.403 -29.705 596 HZ2 LYS 1 1HZ LYS 1 -14.822 -12.676 -28.881 597 HZ3 LYS 1 2HZ LYS 1 -14.847 -12.631 -30.571 598 HA PRO 2 HA PRO 2 -5.980 -11.609 -28.811 599 HB2 PRO 2 2HB PRO 2 -5.069 -14.166 -28.849 600 HB3 PRO 2 3HB PRO 2 -4.710 -13.038 -27.537 601 HG2 PRO 2 2HG PRO 2 -6.778 -15.199 -27.664 602 HG3 PRO 2 3HG PRO 2 -5.695 -14.764 -26.329 603 HD2 PRO 2 2HD PRO 2 -8.290 -13.995 -26.409 604 HD3 PRO 2 3HD PRO 2 -7.023 -13.004 -25.659 605 HA PRO 3 HA PRO 3 -7.584 -12.922 -32.691 606 HB2 PRO 3 2HB PRO 3 -5.315 -13.332 -34.124 607 HB3 PRO 3 3HB PRO 3 -5.891 -11.722 -33.678 608 HG2 PRO 3 2HG PRO 3 -3.773 -13.400 -32.390 609 HG3 PRO 3 3HG PRO 3 -3.762 -11.663 -32.746 610 HD2 PRO 3 2HD PRO 3 -4.285 -12.639 -30.275 611 HD3 PRO 3 3HD PRO 3 -5.022 -11.145 -30.887 612 H SER 4 H SER 4 -6.846 -14.661 -34.534 613 HA SER 4 HA SER 4 -6.998 -17.235 -33.147 614 HB2 SER 4 2HB SER 4 -8.756 -17.222 -34.636 615 HB3 SER 4 3HB SER 4 -7.894 -16.229 -35.811 616 HG SER 4 HG SER 4 -7.950 -18.250 -36.667 617 H SER 5 H SER 5 -5.303 -18.542 -33.061 618 HA SER 5 HA SER 5 -3.176 -18.223 -35.076 619 HB2 SER 5 2HB SER 5 -2.418 -17.361 -32.917 620 HB3 SER 5 3HB SER 5 -2.863 -18.878 -32.136 621 HG SER 5 HG SER 5 -0.563 -18.286 -33.226 622 H ALA 6 H ALA 6 -1.903 -20.150 -35.501 623 HA ALA 6 HA ALA 6 -3.548 -22.450 -35.840 624 HB1 ALA 6 1HB ALA 6 -0.616 -21.972 -36.331 625 HB2 ALA 6 2HB ALA 6 -1.435 -23.487 -36.715 626 HB3 ALA 6 3HB ALA 6 -1.924 -21.992 -37.514 Start of MODEL 20 1 H1 MET -4 H MET -4 1.353 -3.367 1.138 2 HA MET -4 HA MET -4 2.264 -1.940 -1.273 3 HB2 MET -4 2HB MET -4 4.009 -3.079 0.359 4 HB3 MET -4 3HB MET -4 3.517 -4.535 -0.496 5 HG2 MET -4 2HG MET -4 5.388 -3.790 -1.654 6 HG3 MET -4 3HG MET -4 4.027 -3.248 -2.633 7 HE1 MET -4 3HE MET -4 7.245 -0.729 -0.702 8 HE2 MET -4 1HE MET -4 6.676 -2.223 0.044 9 HE3 MET -4 2HE MET -4 7.381 -2.258 -1.572 10 H ALA -3 H ALA -3 0.354 -2.304 -2.395 11 HA ALA -3 HA ALA -3 -0.469 -5.089 -2.799 12 HB1 ALA -3 1HB ALA -3 -2.428 -3.917 -4.003 13 HB2 ALA -3 2HB ALA -3 -2.348 -3.843 -2.243 14 HB3 ALA -3 3HB ALA -3 -1.838 -2.457 -3.207 15 H ILE -2 H ILE -2 1.936 -3.869 -4.019 16 HA ILE -2 HA ILE -2 1.184 -4.127 -6.858 17 HB ILE -2 HB ILE -2 3.543 -2.641 -5.696 18 HG12 ILE -2 2HG1 ILE -2 1.091 -1.563 -7.102 19 HG13 ILE -2 3HG1 ILE -2 1.318 -1.553 -5.357 20 HG21 ILE -2 1HG2 ILE -2 2.607 -2.870 -8.554 21 HG22 ILE -2 2HG2 ILE -2 3.963 -1.903 -7.978 22 HG23 ILE -2 3HG2 ILE -2 4.026 -3.662 -7.869 23 HD11 ILE -2 3HD1 ILE -2 2.154 0.484 -5.671 24 HD12 ILE -2 1HD1 ILE -2 3.601 -0.347 -6.243 25 HD13 ILE -2 2HD1 ILE -2 2.394 0.220 -7.398 26 H VAL -1 H VAL -1 2.026 -5.770 -7.969 27 HA VAL -1 HA VAL -1 3.855 -7.581 -6.634 28 HB VAL -1 HB VAL -1 1.906 -8.459 -7.877 29 HG11 VAL -1 1HG1 VAL -1 3.321 -7.812 -10.434 30 HG12 VAL -1 2HG1 VAL -1 1.635 -8.263 -10.174 31 HG13 VAL -1 3HG1 VAL -1 2.202 -6.658 -9.709 32 HG21 VAL -1 3HG2 VAL -1 4.595 -9.358 -7.990 33 HG22 VAL -1 1HG2 VAL -1 3.114 -10.315 -8.033 34 HG23 VAL -1 2HG2 VAL -1 3.831 -9.733 -9.535 35 H ASN 1 H ASN 1 3.918 -5.196 -9.156 36 HA ASN 1 HA ASN 1 5.591 -4.335 -10.433 37 HB2 ASN 1 2HB ASN 1 7.455 -5.707 -8.485 38 HB3 ASN 1 3HB ASN 1 7.829 -4.331 -9.519 39 HD21 ASN 1 1HD2 ASN 1 6.552 -2.358 -9.137 40 HD22 ASN 1 2HD2 ASN 1 6.116 -1.973 -7.510 41 H GLN 2 H GLN 2 4.540 -6.423 -11.631 42 HA GLN 2 HA GLN 2 6.803 -8.089 -12.513 43 HB2 GLN 2 2HB GLN 2 4.822 -9.257 -11.468 44 HB3 GLN 2 3HB GLN 2 3.870 -8.721 -12.846 45 HG2 GLN 2 2HG GLN 2 4.597 -11.004 -13.150 46 HG3 GLN 2 3HG GLN 2 5.349 -9.952 -14.349 47 HE21 GLN 2 1HE2 GLN 2 7.033 -11.384 -14.710 48 HE22 GLN 2 2HE2 GLN 2 8.301 -11.630 -13.563 49 H ARG 3 H ARG 3 7.519 -7.829 -14.523 50 HA ARG 3 HA ARG 3 6.247 -5.928 -16.267 51 HB2 ARG 3 2HB ARG 3 8.171 -6.127 -17.643 52 HB3 ARG 3 3HB ARG 3 8.745 -6.205 -15.983 53 HG2 ARG 3 2HG ARG 3 8.370 -8.833 -16.515 54 HG3 ARG 3 3HG ARG 3 8.827 -8.223 -18.107 55 HD2 ARG 3 2HD ARG 3 10.885 -8.719 -17.208 56 HD3 ARG 3 3HD ARG 3 10.723 -7.016 -16.779 57 HE ARG 3 HE ARG 3 9.679 -8.420 -14.656 58 HH11 ARG 3 1HH1 ARG 3 12.740 -8.246 -16.307 59 HH12 ARG 3 2HH1 ARG 3 13.669 -8.639 -14.899 60 HH21 ARG 3 1HH2 ARG 3 10.893 -8.939 -12.796 61 HH22 ARG 3 2HH2 ARG 3 12.618 -9.034 -12.903 62 H ALA 4 H ALA 4 5.806 -6.410 -18.557 63 HA ALA 4 HA ALA 4 5.264 -9.154 -19.278 64 HB1 ALA 4 1HB ALA 4 2.808 -7.773 -19.749 65 HB2 ALA 4 2HB ALA 4 3.097 -9.238 -18.810 66 HB3 ALA 4 3HB ALA 4 3.224 -7.657 -18.038 67 H VAL 5 H VAL 5 4.683 -9.405 -21.507 68 HA VAL 5 HA VAL 5 5.514 -7.104 -23.138 69 HB VAL 5 HB VAL 5 6.844 -9.202 -23.345 70 HG11 VAL 5 1HG1 VAL 5 4.555 -10.402 -24.850 71 HG12 VAL 5 2HG1 VAL 5 5.977 -11.188 -24.160 72 HG13 VAL 5 3HG1 VAL 5 4.682 -10.619 -23.105 73 HG21 VAL 5 3HG2 VAL 5 7.155 -8.992 -25.640 74 HG22 VAL 5 1HG2 VAL 5 5.443 -8.696 -25.943 75 HG23 VAL 5 2HG2 VAL 5 6.434 -7.445 -25.193 76 H ALA 6 H ALA 6 4.379 -6.580 -25.049 77 HA ALA 6 HA ALA 6 1.527 -7.119 -24.869 78 HB1 ALA 6 1HB ALA 6 1.616 -5.440 -26.902 79 HB2 ALA 6 2HB ALA 6 1.777 -4.879 -25.237 80 HB3 ALA 6 3HB ALA 6 3.213 -5.089 -26.239 81 H LEU 7 H LEU 7 0.785 -8.887 -25.842 82 HA LEU 7 HA LEU 7 2.148 -10.133 -28.032 83 HB2 LEU 7 2HB LEU 7 -0.645 -10.761 -27.135 84 HB3 LEU 7 3HB LEU 7 0.531 -11.833 -27.892 85 HG LEU 7 HG LEU 7 0.884 -10.709 -25.120 86 HD11 LEU 7 1HD1 LEU 7 -0.868 -11.993 -24.562 87 HD12 LEU 7 2HD1 LEU 7 0.268 -13.327 -24.757 88 HD13 LEU 7 3HD1 LEU 7 -0.821 -12.896 -26.076 89 HD21 LEU 7 3HD2 LEU 7 2.577 -12.116 -26.873 90 HD22 LEU 7 1HD2 LEU 7 2.080 -13.259 -25.625 91 HD23 LEU 7 2HD2 LEU 7 2.849 -11.738 -25.171 92 H TYR 8 H TYR 8 -0.755 -8.170 -27.654 93 HA TYR 8 HA TYR 8 -0.745 -7.696 -30.540 94 HB2 TYR 8 2HB TYR 8 -3.375 -8.162 -29.177 95 HB3 TYR 8 3HB TYR 8 -2.979 -8.258 -30.890 96 HD1 TYR 8 HD2 TYR 8 -1.443 -10.193 -31.627 97 HD2 TYR 8 HD1 TYR 8 -3.464 -10.101 -27.884 98 HE1 TYR 8 HE2 TYR 8 -1.186 -12.631 -31.435 99 HE2 TYR 8 HE1 TYR 8 -3.212 -12.539 -27.681 100 HH TYR 8 HH TYR 8 -2.863 -14.480 -29.123 101 H ASP 9 H ASP 9 -1.641 -5.714 -31.171 102 HA ASP 9 HA ASP 9 -1.427 -3.635 -29.235 103 HB2 ASP 9 2HB ASP 9 -2.215 -2.179 -31.152 104 HB3 ASP 9 3HB ASP 9 -0.755 -3.116 -31.460 105 H PHE 10 H PHE 10 -2.950 -2.649 -28.058 106 HA PHE 10 HA PHE 10 -5.772 -3.186 -28.692 107 HB2 PHE 10 2HB PHE 10 -5.602 -4.559 -26.856 108 HB3 PHE 10 3HB PHE 10 -4.301 -3.615 -26.137 109 HD1 PHE 10 HD2 PHE 10 -7.932 -3.886 -26.575 110 HD2 PHE 10 HD1 PHE 10 -4.760 -1.774 -24.679 111 HE1 PHE 10 HE2 PHE 10 -9.553 -2.812 -25.067 112 HE2 PHE 10 HE1 PHE 10 -6.375 -0.697 -23.168 113 HZ PHE 10 HZ PHE 10 -8.776 -1.214 -23.361 114 H GLU 11 H GLU 11 -7.230 -1.538 -28.240 115 HA GLU 11 HA GLU 11 -6.004 1.057 -27.569 116 HB2 GLU 11 2HB GLU 11 -6.718 1.038 -29.876 117 HB3 GLU 11 3HB GLU 11 -8.305 0.432 -29.425 118 HG2 GLU 11 2HG GLU 11 -8.649 2.552 -28.140 119 HG3 GLU 11 3HG GLU 11 -7.154 3.149 -28.856 120 HA PRO 12 HA PRO 12 -8.698 1.164 -24.076 121 HB2 PRO 12 2HB PRO 12 -8.512 3.819 -23.536 122 HB3 PRO 12 3HB PRO 12 -7.214 2.673 -23.181 123 HG2 PRO 12 2HG PRO 12 -7.511 4.540 -25.503 124 HG3 PRO 12 3HG PRO 12 -6.069 4.177 -24.536 125 HD2 PRO 12 2HD PRO 12 -6.509 3.072 -26.969 126 HD3 PRO 12 3HD PRO 12 -5.646 2.217 -25.674 127 H GLU 13 H GLU 13 -10.800 1.702 -23.559 128 HA GLU 13 HA GLU 13 -12.313 3.086 -25.672 129 HB2 GLU 13 2HB GLU 13 -12.866 0.698 -24.016 130 HB3 GLU 13 3HB GLU 13 -14.228 1.778 -24.279 131 HG2 GLU 13 2HG GLU 13 -12.565 0.423 -26.388 132 HG3 GLU 13 3HG GLU 13 -14.232 0.057 -25.950 133 H ASN 14 H ASN 14 -11.377 3.178 -22.390 134 HA ASN 14 HA ASN 14 -13.398 5.243 -21.819 135 HB2 ASN 14 2HB ASN 14 -12.023 3.228 -20.080 136 HB3 ASN 14 3HB ASN 14 -12.581 4.741 -19.372 137 HD21 ASN 14 1HD2 ASN 14 -13.402 1.622 -20.020 138 HD22 ASN 14 2HD2 ASN 14 -15.122 1.754 -19.934 139 H ASP 15 H ASP 15 -12.500 6.788 -20.006 140 HA ASP 15 HA ASP 15 -10.082 7.969 -21.126 141 HB2 ASP 15 2HB ASP 15 -10.686 9.967 -19.917 142 HB3 ASP 15 3HB ASP 15 -12.122 9.354 -20.732 143 H ASN 16 H ASN 16 -10.201 5.550 -19.285 144 HA ASN 16 HA ASN 16 -8.115 6.493 -17.456 145 HB2 ASN 16 2HB ASN 16 -9.205 4.737 -15.804 146 HB3 ASN 16 3HB ASN 16 -9.775 6.402 -15.863 147 HD21 ASN 16 1HD2 ASN 16 -10.635 3.175 -16.077 148 HD22 ASN 16 2HD2 ASN 16 -12.241 3.374 -16.680 149 H GLU 17 H GLU 17 -8.550 4.749 -19.989 150 HA GLU 17 HA GLU 17 -7.247 2.301 -19.022 151 HB2 GLU 17 2HB GLU 17 -8.750 2.954 -21.547 152 HB3 GLU 17 3HB GLU 17 -7.733 1.525 -21.424 153 HG2 GLU 17 2HG GLU 17 -9.126 1.028 -19.296 154 HG3 GLU 17 3HG GLU 17 -10.278 2.160 -20.002 155 H LEU 18 H LEU 18 -5.534 1.392 -20.463 156 HA LEU 18 HA LEU 18 -3.832 3.559 -21.505 157 HB2 LEU 18 2HB LEU 18 -2.824 2.634 -19.559 158 HB3 LEU 18 3HB LEU 18 -3.115 0.988 -20.118 159 HG LEU 18 HG LEU 18 -1.449 1.287 -21.881 160 HD11 LEU 18 1HD1 LEU 18 -1.836 4.027 -21.337 161 HD12 LEU 18 2HD1 LEU 18 -0.792 3.292 -22.553 162 HD13 LEU 18 3HD1 LEU 18 -0.157 3.651 -20.947 163 HD21 LEU 18 3HD2 LEU 18 0.096 2.225 -19.570 164 HD22 LEU 18 1HD2 LEU 18 0.236 0.735 -20.505 165 HD23 LEU 18 2HD2 LEU 18 -0.982 0.869 -19.236 166 H ARG 19 H ARG 19 -2.689 3.224 -23.414 167 HA ARG 19 HA ARG 19 -3.923 1.356 -25.239 168 HB2 ARG 19 2HB ARG 19 -1.561 3.073 -25.928 169 HB3 ARG 19 3HB ARG 19 -2.887 2.549 -26.958 170 HG2 ARG 19 2HG ARG 19 -4.395 4.021 -25.591 171 HG3 ARG 19 3HG ARG 19 -2.941 4.664 -24.824 172 HD2 ARG 19 2HD ARG 19 -3.400 4.660 -27.801 173 HD3 ARG 19 3HD ARG 19 -3.823 6.011 -26.751 174 HE ARG 19 HE ARG 19 -1.186 5.240 -27.617 175 HH11 ARG 19 1HH1 ARG 19 -3.048 6.969 -25.237 176 HH12 ARG 19 2HH1 ARG 19 -1.742 8.012 -24.782 177 HH21 ARG 19 1HH2 ARG 19 0.542 6.608 -27.027 178 HH22 ARG 19 2HH2 ARG 19 0.299 7.807 -25.802 179 H LEU 20 H LEU 20 -2.706 -0.121 -26.580 180 HA LEU 20 HA LEU 20 -0.109 -0.958 -25.533 181 HB2 LEU 20 2HB LEU 20 -2.437 -2.256 -24.806 182 HB3 LEU 20 3HB LEU 20 -1.818 -3.232 -26.136 183 HG LEU 20 HG LEU 20 0.232 -3.646 -24.957 184 HD11 LEU 20 1HD1 LEU 20 -0.707 -1.410 -23.286 185 HD12 LEU 20 2HD1 LEU 20 0.931 -1.897 -23.722 186 HD13 LEU 20 3HD1 LEU 20 0.077 -2.736 -22.428 187 HD21 LEU 20 3HD2 LEU 20 -1.020 -4.390 -22.646 188 HD22 LEU 20 1HD2 LEU 20 -1.018 -5.317 -24.146 189 HD23 LEU 20 2HD2 LEU 20 -2.372 -4.251 -23.771 190 H ALA 21 H ALA 21 1.182 -2.072 -27.011 191 HA ALA 21 HA ALA 21 0.104 -2.463 -29.709 192 HB1 ALA 21 1HB ALA 21 2.767 -1.413 -29.895 193 HB2 ALA 21 2HB ALA 21 1.277 -0.819 -30.629 194 HB3 ALA 21 3HB ALA 21 1.733 -0.291 -29.010 195 H GLU 22 H GLU 22 0.917 -4.201 -30.771 196 HA GLU 22 HA GLU 22 2.097 -6.289 -29.419 197 HB2 GLU 22 2HB GLU 22 0.954 -6.521 -31.586 198 HB3 GLU 22 3HB GLU 22 2.294 -5.705 -32.379 199 HG2 GLU 22 2HG GLU 22 3.420 -7.823 -30.926 200 HG3 GLU 22 3HG GLU 22 1.986 -8.471 -31.720 201 H GLY 23 H GLY 23 4.052 -6.576 -28.587 202 HA2 GLY 23 2HA GLY 23 6.413 -6.746 -28.765 203 HA3 GLY 23 3HA GLY 23 6.382 -5.503 -30.007 204 H ASP 24 H ASP 24 4.377 -4.301 -27.790 205 HA ASP 24 HA ASP 24 6.382 -2.514 -26.738 206 HB2 ASP 24 2HB ASP 24 3.385 -2.650 -26.371 207 HB3 ASP 24 3HB ASP 24 4.404 -1.412 -25.642 208 H ILE 25 H ILE 25 6.886 -2.191 -24.560 209 HA ILE 25 HA ILE 25 6.425 -4.547 -22.873 210 HB ILE 25 HB ILE 25 8.479 -2.351 -22.580 211 HG12 ILE 25 2HG1 ILE 25 8.580 -4.160 -24.502 212 HG13 ILE 25 3HG1 ILE 25 10.028 -3.716 -23.605 213 HG21 ILE 25 1HG2 ILE 25 9.470 -4.156 -20.998 214 HG22 ILE 25 2HG2 ILE 25 8.173 -3.112 -20.420 215 HG23 ILE 25 3HG2 ILE 25 7.813 -4.758 -20.939 216 HD11 ILE 25 3HD1 ILE 25 9.517 -6.203 -24.021 217 HD12 ILE 25 1HD1 ILE 25 10.051 -5.698 -22.417 218 HD13 ILE 25 2HD1 ILE 25 8.342 -6.016 -22.719 219 H VAL 26 H VAL 26 5.558 -4.405 -20.842 220 HA VAL 26 HA VAL 26 4.850 -1.781 -19.776 221 HB VAL 26 HB VAL 26 2.519 -2.790 -19.239 222 HG11 VAL 26 1HG1 VAL 26 1.647 -1.952 -21.435 223 HG12 VAL 26 2HG1 VAL 26 2.737 -0.844 -20.600 224 HG13 VAL 26 3HG1 VAL 26 3.321 -1.794 -21.967 225 HG21 VAL 26 3HG2 VAL 26 3.282 -4.416 -21.665 226 HG22 VAL 26 1HG2 VAL 26 2.998 -5.044 -20.041 227 HG23 VAL 26 2HG2 VAL 26 1.672 -4.321 -20.952 228 H PHE 27 H PHE 27 4.155 -1.857 -17.534 229 HA PHE 27 HA PHE 27 5.157 -4.253 -16.142 230 HB2 PHE 27 2HB PHE 27 5.251 -1.372 -15.221 231 HB3 PHE 27 3HB PHE 27 5.807 -2.758 -14.288 232 HD1 PHE 27 HD2 PHE 27 7.508 -4.310 -15.691 233 HD2 PHE 27 HD1 PHE 27 6.860 -0.145 -16.280 234 HE1 PHE 27 HE2 PHE 27 9.732 -4.114 -16.724 235 HE2 PHE 27 HE1 PHE 27 9.083 0.058 -17.315 236 HZ PHE 27 HZ PHE 27 10.523 -1.927 -17.537 237 H ILE 28 H ILE 28 3.455 -5.373 -15.442 238 HA ILE 28 HA ILE 28 0.932 -4.187 -14.840 239 HB ILE 28 HB ILE 28 1.817 -6.948 -14.022 240 HG12 ILE 28 2HG1 ILE 28 2.343 -6.607 -16.401 241 HG13 ILE 28 3HG1 ILE 28 1.011 -7.739 -16.197 242 HG21 ILE 28 1HG2 ILE 28 -0.832 -5.624 -14.505 243 HG22 ILE 28 2HG2 ILE 28 -0.652 -7.377 -14.516 244 HG23 ILE 28 3HG2 ILE 28 -0.263 -6.460 -13.061 245 HD11 ILE 28 3HD1 ILE 28 -0.116 -6.523 -17.659 246 HD12 ILE 28 1HD1 ILE 28 -0.202 -5.252 -16.440 247 HD13 ILE 28 2HD1 ILE 28 1.101 -5.247 -17.628 248 H SER 29 H SER 29 0.853 -2.826 -13.146 249 HA SER 29 HA SER 29 2.383 -3.076 -10.788 250 HB2 SER 29 2HB SER 29 -0.026 -1.455 -11.555 251 HB3 SER 29 3HB SER 29 0.551 -1.454 -9.889 252 HG SER 29 HG SER 29 2.475 -0.600 -10.558 253 H TYR 30 H TYR 30 -0.901 -4.070 -11.618 254 HA TYR 30 HA TYR 30 -0.926 -6.194 -9.769 255 HB2 TYR 30 2HB TYR 30 -2.441 -5.415 -8.090 256 HB3 TYR 30 3HB TYR 30 -1.128 -4.247 -8.186 257 HD1 TYR 30 HD1 TYR 30 -4.672 -4.854 -8.975 258 HD2 TYR 30 HD2 TYR 30 -1.522 -1.994 -8.916 259 HE1 TYR 30 HE1 TYR 30 -6.310 -3.052 -9.319 260 HE2 TYR 30 HE2 TYR 30 -3.152 -0.184 -9.259 261 HH TYR 30 HH TYR 30 -5.279 0.317 -9.708 262 H LYS 31 H LYS 31 -2.771 -7.495 -9.961 263 HA LYS 31 HA LYS 31 -4.245 -7.090 -12.407 264 HB2 LYS 31 2HB LYS 31 -3.577 -9.318 -12.063 265 HB3 LYS 31 3HB LYS 31 -4.096 -9.308 -10.383 266 HG2 LYS 31 2HG LYS 31 -6.380 -9.420 -10.992 267 HG3 LYS 31 3HG LYS 31 -6.014 -9.087 -12.686 268 HD2 LYS 31 2HD LYS 31 -5.000 -11.214 -12.975 269 HD3 LYS 31 3HD LYS 31 -4.993 -11.521 -11.237 270 HE2 LYS 31 2HE LYS 31 -7.644 -11.075 -11.734 271 HE3 LYS 31 3HE LYS 31 -7.125 -11.886 -13.211 272 HZ1 LYS 31 3HZ LYS 31 -6.368 -13.739 -11.971 273 HZ2 LYS 31 1HZ LYS 31 -7.922 -13.385 -11.403 274 HZ3 LYS 31 2HZ LYS 31 -6.568 -12.937 -10.495 275 H HIS 32 H HIS 32 -6.436 -6.761 -12.630 276 HA HIS 32 HA HIS 32 -7.969 -6.255 -10.173 277 HB2 HIS 32 2HB HIS 32 -7.074 -4.150 -11.382 278 HB3 HIS 32 3HB HIS 32 -8.286 -4.516 -12.606 279 HD1 HIS 32 HD1 HIS 32 -8.337 -4.271 -8.799 280 HD2 HIS 32 HD2 HIS 32 -10.514 -3.083 -12.132 281 HE1 HIS 32 HE1 HIS 32 -10.294 -2.975 -7.896 282 H GLY 33 H GLY 33 -10.278 -6.427 -10.409 283 HA2 GLY 33 2HA GLY 33 -11.091 -8.655 -11.909 284 HA3 GLY 33 3HA GLY 33 -12.170 -7.514 -11.120 285 H GLN 34 H GLN 34 -13.369 -8.264 -13.173 286 HA GLN 34 HA GLN 34 -14.335 -7.639 -15.136 287 HB2 GLN 34 2HB GLN 34 -12.645 -5.143 -14.971 288 HB3 GLN 34 3HB GLN 34 -14.136 -5.362 -15.878 289 HG2 GLN 34 2HG GLN 34 -13.857 -5.350 -12.881 290 HG3 GLN 34 3HG GLN 34 -14.531 -4.062 -13.878 291 HE21 GLN 34 1HE2 GLN 34 -15.378 -6.396 -11.841 292 HE22 GLN 34 2HE2 GLN 34 -16.937 -6.815 -12.456 293 H GLY 35 H GLY 35 -11.417 -8.740 -14.850 294 HA2 GLY 35 2HA GLY 35 -9.923 -9.650 -16.343 295 HA3 GLY 35 3HA GLY 35 -11.034 -9.198 -17.627 296 H TRP 36 H TRP 36 -9.734 -6.851 -15.395 297 HA TRP 36 HA TRP 36 -8.005 -5.824 -17.549 298 HB2 TRP 36 2HB TRP 36 -9.785 -4.286 -15.654 299 HB3 TRP 36 3HB TRP 36 -8.520 -3.529 -16.617 300 HD1 TRP 36 HD1 TRP 36 -12.074 -4.693 -16.804 301 HE1 TRP 36 HE1 TRP 36 -12.997 -4.302 -19.174 302 HE3 TRP 36 HE3 TRP 36 -7.700 -3.577 -19.204 303 HZ2 TRP 36 HZ2 TRP 36 -12.002 -3.613 -21.724 304 HZ3 TRP 36 HZ3 TRP 36 -7.773 -3.064 -21.610 305 HH2 TRP 36 HH2 TRP 36 -9.880 -3.083 -22.842 306 H LEU 37 H LEU 37 -5.970 -5.231 -17.004 307 HA LEU 37 HA LEU 37 -5.245 -5.379 -14.152 308 HB2 LEU 37 2HB LEU 37 -3.243 -5.985 -16.266 309 HB3 LEU 37 3HB LEU 37 -3.350 -6.583 -14.611 310 HG LEU 37 HG LEU 37 -4.959 -7.501 -16.990 311 HD11 LEU 37 1HD1 LEU 37 -3.809 -9.690 -15.895 312 HD12 LEU 37 2HD1 LEU 37 -2.577 -8.471 -15.570 313 HD13 LEU 37 3HD1 LEU 37 -3.115 -8.761 -17.225 314 HD21 LEU 37 3HD2 LEU 37 -5.576 -7.588 -14.170 315 HD22 LEU 37 1HD2 LEU 37 -5.420 -9.210 -14.845 316 HD23 LEU 37 2HD2 LEU 37 -6.560 -8.067 -15.554 317 H VAL 38 H VAL 38 -4.206 -3.677 -13.320 318 HA VAL 38 HA VAL 38 -3.781 -1.348 -14.941 319 HB VAL 38 HB VAL 38 -3.034 -1.797 -12.049 320 HG11 VAL 38 1HG1 VAL 38 -3.532 0.840 -12.272 321 HG12 VAL 38 2HG1 VAL 38 -1.925 0.130 -12.445 322 HG13 VAL 38 3HG1 VAL 38 -2.882 0.511 -13.878 323 HG21 VAL 38 3HG2 VAL 38 -5.588 -0.988 -13.372 324 HG22 VAL 38 1HG2 VAL 38 -5.323 -2.093 -12.023 325 HG23 VAL 38 2HG2 VAL 38 -5.187 -0.352 -11.777 326 H ALA 39 H ALA 39 -2.055 -1.145 -16.201 327 HA ALA 39 HA ALA 39 0.575 -1.855 -15.096 328 HB1 ALA 39 1HB ALA 39 0.321 -2.249 -17.990 329 HB2 ALA 39 2HB ALA 39 1.132 -3.237 -16.774 330 HB3 ALA 39 3HB ALA 39 -0.611 -3.380 -17.007 331 H GLU 40 H GLU 40 2.374 -0.748 -16.161 332 HA GLU 40 HA GLU 40 1.541 1.868 -17.230 333 HB2 GLU 40 2HB GLU 40 3.415 2.872 -16.174 334 HB3 GLU 40 3HB GLU 40 2.668 1.834 -14.968 335 HG2 GLU 40 2HG GLU 40 4.534 0.205 -16.210 336 HG3 GLU 40 3HG GLU 40 5.336 1.768 -16.070 337 H ASN 41 H ASN 41 2.926 2.864 -18.809 338 HA ASN 41 HA ASN 41 3.792 1.037 -20.811 339 HB2 ASN 41 2HB ASN 41 4.047 2.887 -22.188 340 HB3 ASN 41 3HB ASN 41 2.853 3.471 -21.033 341 HD21 ASN 41 1HD2 ASN 41 4.397 4.046 -18.862 342 HD22 ASN 41 2HD2 ASN 41 5.487 5.331 -19.243 343 H GLU 42 H GLU 42 6.045 1.872 -21.925 344 HA GLU 42 HA GLU 42 8.063 0.825 -20.219 345 HB2 GLU 42 2HB GLU 42 7.818 0.908 -22.870 346 HB3 GLU 42 3HB GLU 42 8.803 2.350 -22.667 347 HG2 GLU 42 2HG GLU 42 10.274 0.742 -21.202 348 HG3 GLU 42 3HG GLU 42 9.484 -0.499 -22.173 349 H SER 43 H SER 43 7.216 4.071 -21.307 350 HA SER 43 HA SER 43 9.448 5.461 -20.401 351 HB2 SER 43 2HB SER 43 6.608 6.498 -20.317 352 HB3 SER 43 3HB SER 43 8.088 7.443 -20.478 353 HG SER 43 HG SER 43 8.413 6.312 -22.499 354 H GLY 44 H GLY 44 6.907 3.961 -18.626 355 HA2 GLY 44 2HA GLY 44 6.608 3.673 -16.366 356 HA3 GLY 44 3HA GLY 44 8.218 4.344 -16.144 357 H SER 45 H SER 45 6.210 6.410 -17.902 358 HA SER 45 HA SER 45 5.772 8.046 -15.496 359 HB2 SER 45 2HB SER 45 7.223 9.095 -17.168 360 HB3 SER 45 3HB SER 45 5.975 8.893 -18.397 361 HG SER 45 HG SER 45 6.064 10.650 -16.213 362 H LYS 46 H LYS 46 4.199 6.224 -17.870 363 HA LYS 46 HA LYS 46 1.626 7.502 -17.208 364 HB2 LYS 46 2HB LYS 46 0.962 7.464 -19.368 365 HB3 LYS 46 3HB LYS 46 2.688 7.405 -19.701 366 HG2 LYS 46 2HG LYS 46 2.486 4.894 -19.701 367 HG3 LYS 46 3HG LYS 46 0.736 5.121 -19.667 368 HD2 LYS 46 2HD LYS 46 2.580 6.253 -21.770 369 HD3 LYS 46 3HD LYS 46 1.633 4.774 -21.950 370 HE2 LYS 46 2HE LYS 46 -0.422 6.111 -21.555 371 HE3 LYS 46 3HE LYS 46 0.573 7.566 -21.531 372 HZ1 LYS 46 3HZ LYS 46 0.029 5.756 -23.804 373 HZ2 LYS 46 1HZ LYS 46 1.340 6.826 -23.819 374 HZ3 LYS 46 2HZ LYS 46 -0.238 7.423 -23.699 375 H THR 47 H THR 47 0.031 6.226 -16.445 376 HA THR 47 HA THR 47 0.360 3.314 -16.592 377 HB THR 47 HB THR 47 -0.488 4.656 -14.030 378 HG1 THR 47 HG1 THR 47 1.596 4.594 -13.352 379 HG21 THR 47 3HG2 THR 47 0.310 2.404 -13.137 380 HG22 THR 47 1HG2 THR 47 0.325 1.868 -14.817 381 HG23 THR 47 2HG2 THR 47 -1.183 2.403 -14.075 382 H GLY 48 H GLY 48 -1.523 2.157 -16.747 383 HA2 GLY 48 2HA GLY 48 -4.083 3.359 -16.187 384 HA3 GLY 48 3HA GLY 48 -3.754 3.186 -17.905 385 H LEU 49 H LEU 49 -5.534 1.747 -18.074 386 HA LEU 49 HA LEU 49 -5.155 -0.869 -16.792 387 HB2 LEU 49 2HB LEU 49 -7.586 0.230 -18.195 388 HB3 LEU 49 3HB LEU 49 -7.483 -1.305 -17.334 389 HG LEU 49 HG LEU 49 -6.917 1.204 -15.832 390 HD11 LEU 49 1HD1 LEU 49 -9.629 0.303 -16.759 391 HD12 LEU 49 2HD1 LEU 49 -8.898 1.901 -16.893 392 HD13 LEU 49 3HD1 LEU 49 -9.396 1.291 -15.316 393 HD21 LEU 49 3HD2 LEU 49 -6.817 -1.292 -15.040 394 HD22 LEU 49 1HD2 LEU 49 -8.565 -1.099 -14.900 395 HD23 LEU 49 2HD2 LEU 49 -7.486 -0.043 -13.989 396 H VAL 50 H VAL 50 -4.651 -2.622 -17.957 397 HA VAL 50 HA VAL 50 -4.866 -2.464 -20.889 398 HB VAL 50 HB VAL 50 -2.743 -3.527 -21.187 399 HG11 VAL 50 1HG1 VAL 50 -2.966 -0.992 -20.537 400 HG12 VAL 50 2HG1 VAL 50 -2.046 -1.498 -19.119 401 HG13 VAL 50 3HG1 VAL 50 -1.381 -1.738 -20.735 402 HG21 VAL 50 3HG2 VAL 50 -2.804 -5.013 -19.252 403 HG22 VAL 50 1HG2 VAL 50 -1.285 -4.119 -19.311 404 HG23 VAL 50 2HG2 VAL 50 -2.548 -3.639 -18.177 405 HA PRO 51 HA PRO 51 -6.817 -6.395 -20.711 406 HB2 PRO 51 2HB PRO 51 -6.048 -7.457 -23.088 407 HB3 PRO 51 3HB PRO 51 -7.232 -6.151 -22.957 408 HG2 PRO 51 2HG PRO 51 -4.315 -6.004 -23.614 409 HG3 PRO 51 3HG PRO 51 -5.675 -5.148 -24.363 410 HD2 PRO 51 2HD PRO 51 -4.049 -3.985 -22.536 411 HD3 PRO 51 3HD PRO 51 -5.769 -3.571 -22.685 412 H GLU 52 H GLU 52 -6.434 -8.478 -20.081 413 HA GLU 52 HA GLU 52 -3.662 -9.171 -19.524 414 HB2 GLU 52 2HB GLU 52 -5.375 -9.386 -17.751 415 HB3 GLU 52 3HB GLU 52 -6.212 -10.586 -18.726 416 HG2 GLU 52 2HG GLU 52 -3.351 -10.988 -17.966 417 HG3 GLU 52 3HG GLU 52 -4.643 -11.356 -16.825 418 H GLU 53 H GLU 53 -6.296 -10.140 -21.583 419 HA GLU 53 HA GLU 53 -5.003 -12.600 -22.400 420 HB2 GLU 53 2HB GLU 53 -7.639 -11.479 -22.581 421 HB3 GLU 53 3HB GLU 53 -7.095 -11.944 -24.187 422 HG2 GLU 53 2HG GLU 53 -7.342 -13.687 -21.753 423 HG3 GLU 53 3HG GLU 53 -8.253 -13.791 -23.258 424 H PHE 54 H PHE 54 -4.130 -9.615 -22.939 425 HA PHE 54 HA PHE 54 -3.480 -10.066 -25.778 426 HB2 PHE 54 2HB PHE 54 -4.601 -7.732 -24.419 427 HB3 PHE 54 3HB PHE 54 -3.177 -7.348 -25.381 428 HD1 PHE 54 HD2 PHE 54 -5.723 -9.943 -26.085 429 HD2 PHE 54 HD1 PHE 54 -4.113 -6.153 -27.158 430 HE1 PHE 54 HE2 PHE 54 -7.106 -9.936 -28.120 431 HE2 PHE 54 HE1 PHE 54 -5.494 -6.139 -29.195 432 HZ PHE 54 HZ PHE 54 -6.992 -8.032 -29.678 433 H VAL 55 H VAL 55 -2.272 -9.866 -22.683 434 HA VAL 55 HA VAL 55 0.414 -9.159 -23.675 435 HB VAL 55 HB VAL 55 0.954 -8.498 -21.330 436 HG11 VAL 55 1HG1 VAL 55 -0.175 -7.033 -23.307 437 HG12 VAL 55 2HG1 VAL 55 -1.307 -6.737 -21.986 438 HG13 VAL 55 3HG1 VAL 55 0.405 -6.363 -21.783 439 HG21 VAL 55 3HG2 VAL 55 -0.444 -9.044 -19.691 440 HG22 VAL 55 1HG2 VAL 55 -1.624 -7.916 -20.358 441 HG23 VAL 55 2HG2 VAL 55 -1.642 -9.607 -20.857 442 H SER 56 H SER 56 2.174 -10.116 -22.218 443 HA SER 56 HA SER 56 1.451 -12.749 -21.168 444 HB2 SER 56 2HB SER 56 2.057 -13.253 -23.445 445 HB3 SER 56 3HB SER 56 3.511 -12.263 -23.329 446 HG SER 56 HG SER 56 3.286 -14.823 -22.807 447 H TYR 57 H TYR 57 2.189 -12.746 -19.157 448 HA TYR 57 HA TYR 57 4.024 -10.999 -18.053 449 HB2 TYR 57 2HB TYR 57 2.917 -13.643 -17.245 450 HB3 TYR 57 3HB TYR 57 4.319 -13.043 -16.365 451 HD1 TYR 57 HD2 TYR 57 1.438 -11.145 -17.770 452 HD2 TYR 57 HD1 TYR 57 3.483 -12.444 -14.272 453 HE1 TYR 57 HE2 TYR 57 -0.035 -9.737 -16.392 454 HE2 TYR 57 HE1 TYR 57 2.016 -11.041 -12.885 455 HH TYR 57 HH TYR 57 0.335 -9.596 -12.860 456 H ILE 58 H ILE 58 6.178 -10.851 -18.002 457 HA ILE 58 HA ILE 58 7.724 -12.919 -19.386 458 HB ILE 58 HB ILE 58 8.622 -10.156 -18.566 459 HG12 ILE 58 2HG1 ILE 58 7.734 -11.103 -21.297 460 HG13 ILE 58 3HG1 ILE 58 6.725 -10.163 -20.203 461 HG21 ILE 58 1HG2 ILE 58 10.573 -11.327 -18.886 462 HG22 ILE 58 2HG2 ILE 58 9.862 -12.392 -20.097 463 HG23 ILE 58 3HG2 ILE 58 10.270 -10.729 -20.517 464 HD11 ILE 58 3HD1 ILE 58 9.013 -9.331 -21.865 465 HD12 ILE 58 1HD1 ILE 58 7.538 -8.464 -21.439 466 HD13 ILE 58 2HD1 ILE 58 8.864 -8.572 -20.281 467 H GLN 59 H GLN 59 9.593 -13.825 -18.494 468 HA GLN 59 HA GLN 59 9.801 -13.564 -15.567 469 HB2 GLN 59 2HB GLN 59 10.597 -15.879 -15.528 470 HB3 GLN 59 3HB GLN 59 9.003 -15.769 -16.263 471 HG2 GLN 59 2HG GLN 59 10.420 -15.623 -18.481 472 HG3 GLN 59 3HG GLN 59 11.619 -16.449 -17.487 473 HE21 GLN 59 1HE2 GLN 59 11.317 -18.173 -19.059 474 HE22 GLN 59 2HE2 GLN 59 10.019 -19.291 -18.838 475 HA PRO 60 HA PRO 60 13.983 -12.286 -15.937 476 HB2 PRO 60 2HB PRO 60 15.080 -13.407 -13.721 477 HB3 PRO 60 3HB PRO 60 13.981 -12.024 -13.654 478 HG2 PRO 60 2HG PRO 60 13.406 -14.925 -13.190 479 HG3 PRO 60 3HG PRO 60 12.844 -13.512 -12.276 480 HD2 PRO 60 2HD PRO 60 11.295 -14.778 -14.102 481 HD3 PRO 60 3HD PRO 60 11.182 -13.032 -13.799 482 H GLU 61 H GLU 61 14.713 -15.281 -14.280 483 HA GLU 61 HA GLU 61 15.881 -16.384 -16.740 484 HB2 GLU 61 2HB GLU 61 17.245 -15.907 -14.107 485 HB3 GLU 61 3HB GLU 61 17.789 -17.191 -15.177 486 HG2 GLU 61 2HG GLU 61 17.985 -15.425 -16.977 487 HG3 GLU 61 3HG GLU 61 17.758 -14.235 -15.696 488 H LEU 62 H LEU 62 13.466 -17.207 -15.813 489 HA LEU 62 HA LEU 62 13.942 -19.648 -14.264 490 HB2 LEU 62 2HB LEU 62 11.368 -18.329 -15.116 491 HB3 LEU 62 3HB LEU 62 11.487 -19.786 -14.131 492 HG LEU 62 HG LEU 62 12.728 -17.212 -13.222 493 HD11 LEU 62 1HD1 LEU 62 10.015 -17.936 -12.274 494 HD12 LEU 62 2HD1 LEU 62 10.151 -17.168 -13.855 495 HD13 LEU 62 3HD1 LEU 62 10.782 -16.355 -12.423 496 HD21 LEU 62 3HD2 LEU 62 13.426 -18.954 -11.864 497 HD22 LEU 62 1HD2 LEU 62 11.881 -19.798 -11.977 498 HD23 LEU 62 2HD2 LEU 62 12.017 -18.336 -11.000 499 H GLU 63 H GLU 63 12.911 -21.656 -14.978 500 HA GLU 63 HA GLU 63 12.646 -23.327 -16.500 501 HB2 GLU 63 2HB GLU 63 10.788 -21.537 -17.133 502 HB3 GLU 63 3HB GLU 63 11.750 -21.410 -18.599 503 HG2 GLU 63 2HG GLU 63 11.008 -24.124 -17.672 504 HG3 GLU 63 3HG GLU 63 9.741 -23.114 -18.365 505 H1 GLY -9 H GLY -9 -7.174 0.113 -7.249 506 HA2 GLY -9 2HA GLY -9 -7.065 2.184 -6.015 507 HA3 GLY -9 3HA GLY -9 -5.868 2.289 -7.298 508 H LYS -8 H LYS -8 -6.175 3.692 -8.993 509 HA LYS -8 HA LYS -8 -8.245 5.707 -8.561 510 HB2 LYS -8 2HB LYS -8 -5.855 6.380 -8.837 511 HB3 LYS -8 3HB LYS -8 -5.911 5.759 -10.482 512 HG2 LYS -8 2HG LYS -8 -7.147 7.502 -11.250 513 HG3 LYS -8 3HG LYS -8 -7.966 7.747 -9.705 514 HD2 LYS -8 2HD LYS -8 -6.491 9.611 -10.150 515 HD3 LYS -8 3HD LYS -8 -5.874 8.681 -8.782 516 HE2 LYS -8 2HE LYS -8 -4.134 7.765 -10.040 517 HE3 LYS -8 3HE LYS -8 -4.916 8.149 -11.572 518 HZ1 LYS -8 3HZ LYS -8 -2.937 9.581 -10.612 519 HZ2 LYS -8 1HZ LYS -8 -4.206 10.383 -9.832 520 HZ3 LYS -8 2HZ LYS -8 -4.182 10.278 -11.520 521 H PHE -7 H PHE -7 -7.141 3.396 -10.971 522 HA PHE -7 HA PHE -7 -9.047 4.249 -12.951 523 HB2 PHE -7 2HB PHE -7 -7.521 1.647 -12.934 524 HB3 PHE -7 3HB PHE -7 -8.173 2.510 -14.323 525 HD1 PHE -7 HD2 PHE -7 -7.262 5.203 -14.025 526 HD2 PHE -7 HD1 PHE -7 -5.235 1.577 -13.098 527 HE1 PHE -7 HE2 PHE -7 -5.101 6.336 -14.336 528 HE2 PHE -7 HE1 PHE -7 -3.070 2.704 -13.406 529 HZ PHE -7 HZ PHE -7 -3.001 5.087 -14.027 530 H ILE -6 H ILE -6 -10.833 3.040 -13.709 531 HA ILE -6 HA ILE -6 -11.750 0.762 -12.171 532 HB ILE -6 HB ILE -6 -14.007 1.870 -11.794 533 HG12 ILE -6 2HG1 ILE -6 -12.680 4.500 -11.622 534 HG13 ILE -6 3HG1 ILE -6 -12.961 3.915 -13.258 535 HG21 ILE -6 1HG2 ILE -6 -13.387 2.673 -9.652 536 HG22 ILE -6 2HG2 ILE -6 -12.257 1.381 -10.051 537 HG23 ILE -6 3HG2 ILE -6 -11.756 3.065 -10.196 538 HD11 ILE -6 3HD1 ILE -6 -14.751 5.375 -12.208 539 HD12 ILE -6 1HD1 ILE -6 -15.278 3.870 -12.960 540 HD13 ILE -6 2HD1 ILE -6 -15.141 3.979 -11.204 541 HA PRO -5 HA PRO -5 -12.873 0.509 -16.614 542 HB2 PRO -5 2HB PRO -5 -12.443 -2.166 -16.781 543 HB3 PRO -5 3HB PRO -5 -11.151 -0.973 -16.954 544 HG2 PRO -5 2HG PRO -5 -11.911 -2.608 -14.565 545 HG3 PRO -5 3HG PRO -5 -10.297 -2.243 -15.203 546 HD2 PRO -5 2HD PRO -5 -11.359 -0.928 -13.087 547 HD3 PRO -5 3HD PRO -5 -10.251 -0.151 -14.236 548 H SER -4 H SER -4 -14.849 0.029 -17.409 549 HA SER -4 HA SER -4 -16.577 -1.797 -15.892 550 HB2 SER -4 2HB SER -4 -16.931 0.783 -15.485 551 HB3 SER -4 3HB SER -4 -17.762 0.702 -17.039 552 HG SER -4 HG SER -4 -18.394 -0.606 -14.621 553 H ARG -3 H ARG -3 -15.640 -3.025 -17.842 554 HA ARG -3 HA ARG -3 -17.701 -3.496 -19.677 555 HB2 ARG -3 2HB ARG -3 -16.562 -2.736 -21.768 556 HB3 ARG -3 3HB ARG -3 -17.117 -1.424 -20.737 557 HG2 ARG -3 2HG ARG -3 -14.778 -1.287 -19.829 558 HG3 ARG -3 3HG ARG -3 -14.303 -2.410 -21.106 559 HD2 ARG -3 2HD ARG -3 -15.393 0.378 -21.375 560 HD3 ARG -3 3HD ARG -3 -13.847 -0.253 -21.943 561 HE ARG -3 HE ARG -3 -16.330 -0.334 -23.325 562 HH11 ARG -3 1HH1 ARG -3 -13.385 -2.114 -22.799 563 HH12 ARG -3 2HH1 ARG -3 -13.453 -2.933 -24.325 564 HH21 ARG -3 1HH2 ARG -3 -16.431 -1.405 -25.336 565 HH22 ARG -3 2HH2 ARG -3 -15.186 -2.528 -25.768 566 HA PRO -2 HA PRO -2 -15.410 -7.209 -20.160 567 HB2 PRO -2 2HB PRO -2 -16.275 -8.051 -22.592 568 HB3 PRO -2 3HB PRO -2 -17.287 -8.098 -21.143 569 HG2 PRO -2 2HG PRO -2 -17.242 -6.084 -23.357 570 HG3 PRO -2 3HG PRO -2 -18.634 -6.814 -22.537 571 HD2 PRO -2 2HD PRO -2 -17.727 -4.333 -21.939 572 HD3 PRO -2 3HD PRO -2 -18.470 -5.396 -20.727 573 H ALA -1 H ALA -1 -13.365 -7.630 -20.708 574 HA ALA -1 HA ALA -1 -11.897 -5.922 -22.435 575 HB1 ALA -1 1HB ALA -1 -11.016 -8.608 -21.401 576 HB2 ALA -1 2HB ALA -1 -10.000 -7.256 -21.902 577 HB3 ALA -1 3HB ALA -1 -10.979 -7.130 -20.440 578 HA PRO 0 HA PRO 0 -12.359 -7.845 -26.357 579 HB2 PRO 0 2HB PRO 0 -9.933 -7.334 -27.462 580 HB3 PRO 0 3HB PRO 0 -11.160 -6.085 -27.219 581 HG2 PRO 0 2HG PRO 0 -8.760 -6.733 -25.551 582 HG3 PRO 0 3HG PRO 0 -9.388 -5.148 -26.040 583 HD2 PRO 0 2HD PRO 0 -9.832 -6.197 -23.583 584 HD3 PRO 0 3HD PRO 0 -11.006 -5.143 -24.397 585 H LYS 1 H LYS 1 -11.289 -9.435 -27.855 586 HA LYS 1 HA LYS 1 -9.791 -11.454 -26.316 587 HB2 LYS 1 2HB LYS 1 -11.960 -11.815 -28.383 588 HB3 LYS 1 3HB LYS 1 -10.904 -13.125 -27.870 589 HG2 LYS 1 2HG LYS 1 -12.515 -11.548 -25.896 590 HG3 LYS 1 3HG LYS 1 -13.195 -12.927 -26.762 591 HD2 LYS 1 2HD LYS 1 -10.571 -13.260 -25.394 592 HD3 LYS 1 3HD LYS 1 -12.035 -13.215 -24.408 593 HE2 LYS 1 2HE LYS 1 -12.972 -15.064 -25.637 594 HE3 LYS 1 3HE LYS 1 -11.617 -15.051 -26.764 595 HZ1 LYS 1 3HZ LYS 1 -10.609 -15.274 -24.159 596 HZ2 LYS 1 1HZ LYS 1 -10.523 -16.401 -25.418 597 HZ3 LYS 1 2HZ LYS 1 -11.831 -16.429 -24.346 598 HA PRO 2 HA PRO 2 -6.647 -11.361 -29.379 599 HB2 PRO 2 2HB PRO 2 -5.806 -13.942 -29.343 600 HB3 PRO 2 3HB PRO 2 -5.464 -12.802 -28.036 601 HG2 PRO 2 2HG PRO 2 -7.584 -14.909 -28.205 602 HG3 PRO 2 3HG PRO 2 -6.538 -14.480 -26.838 603 HD2 PRO 2 2HD PRO 2 -9.107 -13.644 -27.026 604 HD3 PRO 2 3HD PRO 2 -7.841 -12.674 -26.246 605 HA PRO 3 HA PRO 3 -8.143 -12.697 -33.294 606 HB2 PRO 3 2HB PRO 3 -5.835 -13.196 -34.634 607 HB3 PRO 3 3HB PRO 3 -6.381 -11.563 -34.237 608 HG2 PRO 3 2HG PRO 3 -4.361 -13.277 -32.843 609 HG3 PRO 3 3HG PRO 3 -4.286 -11.547 -33.227 610 HD2 PRO 3 2HD PRO 3 -4.928 -12.465 -30.762 611 HD3 PRO 3 3HD PRO 3 -5.599 -10.961 -31.426 612 H SER 4 H SER 4 -8.598 -14.511 -34.536 613 HA SER 4 HA SER 4 -8.090 -17.044 -33.248 614 HB2 SER 4 2HB SER 4 -10.259 -17.022 -34.030 615 HB3 SER 4 3HB SER 4 -9.845 -16.084 -35.465 616 HG SER 4 HG SER 4 -9.523 -18.844 -34.995 617 H SER 5 H SER 5 -6.942 -15.294 -36.024 618 HA SER 5 HA SER 5 -5.865 -17.378 -37.537 619 HB2 SER 5 2HB SER 5 -4.300 -15.630 -38.429 620 HB3 SER 5 3HB SER 5 -5.998 -15.155 -38.462 621 HG SER 5 HG SER 5 -4.093 -14.412 -36.492 622 H ALA 6 H ALA 6 -4.649 -15.743 -34.688 623 HA ALA 6 HA ALA 6 -2.252 -17.454 -34.757 624 HB1 ALA 6 1HB ALA 6 -1.754 -15.065 -34.765 625 HB2 ALA 6 2HB ALA 6 -2.676 -14.861 -33.275 626 HB3 ALA 6 3HB ALA 6 -1.200 -15.826 -33.273
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