NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
3113 | 1d5v | cing | recoord | dress | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -23.259 17.381 7.611 2 2H MET 1 HT2 MET 1 -24.213 16.385 6.620 3 3H MET 1 HT3 MET 1 -24.580 18.037 6.773 4 HA MET 1 HA MET 1 -23.490 17.563 4.656 5 1HB MET 1 HB2 MET 1 -23.182 19.745 5.905 6 2HB MET 1 HB1 MET 1 -21.661 19.096 6.521 7 1HG MET 1 HG2 MET 1 -20.901 18.730 4.179 8 2HG MET 1 HG1 MET 1 -22.390 19.479 3.602 9 1HE MET 1 HE1 MET 1 -23.048 21.974 5.233 10 2HE MET 1 HE2 MET 1 -22.943 21.743 3.489 11 3HE MET 1 HE3 MET 1 -22.139 23.119 4.239 12 H LEU 2 HN LEU 2 -21.785 16.591 3.555 13 HA LEU 2 HA LEU 2 -19.799 15.046 5.202 14 1HB LEU 2 HB2 LEU 2 -21.070 14.255 2.561 15 2HB LEU 2 HB1 LEU 2 -19.879 13.316 3.455 16 HG LEU 2 HG LEU 2 -22.609 14.087 4.527 17 1HD1 LEU 2 HD11 LEU 2 -22.606 12.481 2.566 18 2HD1 LEU 2 HD12 LEU 2 -23.298 11.831 4.052 19 3HD1 LEU 2 HD13 LEU 2 -21.665 11.373 3.566 20 1HD2 LEU 2 HD21 LEU 2 -21.234 13.700 6.405 21 2HD2 LEU 2 HD22 LEU 2 -20.305 12.446 5.583 22 3HD2 LEU 2 HD23 LEU 2 -21.952 12.118 6.117 23 H VAL 3 HN VAL 3 -17.683 14.963 4.348 24 HA VAL 3 HA VAL 3 -17.132 16.597 1.903 25 HB VAL 3 HB VAL 3 -15.173 17.590 3.078 26 1HG1 VAL 3 HG11 VAL 3 -16.522 19.120 4.555 27 2HG1 VAL 3 HG12 VAL 3 -17.904 18.051 4.312 28 3HG1 VAL 3 HG13 VAL 3 -17.201 18.911 2.941 29 1HG2 VAL 3 HG21 VAL 3 -14.824 15.915 4.802 30 2HG2 VAL 3 HG22 VAL 3 -16.432 16.203 5.465 31 3HG2 VAL 3 HG23 VAL 3 -15.190 17.448 5.593 32 H LYS 4 HN LYS 4 -15.455 15.762 0.652 33 HA LYS 4 HA LYS 4 -14.667 13.043 1.228 34 1HB LYS 4 HB2 LYS 4 -13.469 14.877 -0.868 35 2HB LYS 4 HB1 LYS 4 -13.474 13.113 -0.875 36 1HG LYS 4 HG2 LYS 4 -15.947 14.865 -1.012 37 2HG LYS 4 HG1 LYS 4 -15.207 14.043 -2.386 38 1HD LYS 4 HD2 LYS 4 -15.493 11.879 -0.978 39 2HD LYS 4 HD1 LYS 4 -16.613 12.831 -0.005 40 1HE LYS 4 HE2 LYS 4 -16.828 12.106 -2.925 41 2HE LYS 4 HE1 LYS 4 -17.989 11.806 -1.633 42 1HZ LYS 4 HZ1 LYS 4 -18.679 13.651 -3.028 43 2HZ LYS 4 HZ2 LYS 4 -17.232 14.475 -2.694 44 3HZ LYS 4 HZ3 LYS 4 -18.353 14.185 -1.451 45 HA PRO 5 HA PRO 5 -10.877 14.011 3.332 46 1HB PRO 5 HB2 PRO 5 -9.330 11.808 2.289 47 2HB PRO 5 HB1 PRO 5 -10.227 11.876 3.814 48 1HG PRO 5 HG2 PRO 5 -10.878 10.260 1.679 49 2HG PRO 5 HG1 PRO 5 -12.020 10.778 2.931 50 1HD PRO 5 HD2 PRO 5 -11.610 11.904 0.171 51 2HD PRO 5 HD1 PRO 5 -13.121 11.603 1.053 52 HA PRO 6 HA PRO 6 -8.601 16.400 0.117 53 1HB PRO 6 HB2 PRO 6 -6.909 16.928 2.543 54 2HB PRO 6 HB1 PRO 6 -7.505 18.066 1.320 55 1HG PRO 6 HG2 PRO 6 -8.634 17.919 3.725 56 2HG PRO 6 HG1 PRO 6 -9.606 18.192 2.268 57 1HD PRO 6 HD2 PRO 6 -9.356 15.715 3.923 58 2HD PRO 6 HD1 PRO 6 -10.734 16.300 2.965 59 H TYR 7 HN TYR 7 -7.693 13.700 1.968 60 HA TYR 7 HA TYR 7 -4.902 13.513 1.276 61 1HB TYR 7 HB2 TYR 7 -6.775 11.192 1.802 62 2HB TYR 7 HB1 TYR 7 -5.041 11.256 2.099 63 HD1 TYR 7 HD1 TYR 7 -7.886 11.025 3.852 64 HD2 TYR 7 HD2 TYR 7 -4.603 13.777 3.502 65 HE1 TYR 7 HE1 TYR 7 -8.375 11.890 6.110 66 HE2 TYR 7 HE2 TYR 7 -5.084 14.631 5.771 67 HH TYR 7 HH TYR 7 -6.563 13.240 7.987 68 H SER 8 HN SER 8 -3.942 12.622 -0.521 69 HA SER 8 HA SER 8 -5.566 12.333 -2.912 70 1HB SER 8 HB2 SER 8 -3.235 13.203 -2.971 71 2HB SER 8 HB1 SER 8 -2.650 11.623 -2.457 72 HG SER 8 HG SER 8 -3.974 12.341 -4.855 73 H TYR 9 HN TYR 9 -5.446 10.282 -4.252 74 HA TYR 9 HA TYR 9 -6.426 8.063 -2.762 75 1HB TYR 9 HB2 TYR 9 -5.333 8.310 -5.572 76 2HB TYR 9 HB1 TYR 9 -5.928 6.777 -4.934 77 HD1 TYR 9 HD1 TYR 9 -8.314 6.724 -3.955 78 HD2 TYR 9 HD2 TYR 9 -6.842 9.924 -6.417 79 HE1 TYR 9 HE1 TYR 9 -10.642 7.429 -4.430 80 HE2 TYR 9 HE2 TYR 9 -9.173 10.626 -6.894 81 HH TYR 9 HH TYR 9 -11.422 10.406 -5.779 82 H ILE 10 HN ILE 10 -3.177 8.817 -3.984 83 HA ILE 10 HA ILE 10 -1.990 6.308 -3.222 84 HB ILE 10 HB ILE 10 -0.712 9.054 -3.452 85 1HG1 ILE 10 HG12 ILE 10 -1.757 8.446 -5.559 86 2HG1 ILE 10 HG11 ILE 10 -0.017 8.234 -5.715 87 1HG2 ILE 10 HG21 ILE 10 0.452 6.260 -3.377 88 2HG2 ILE 10 HG22 ILE 10 0.737 7.567 -2.227 89 3HG2 ILE 10 HG23 ILE 10 1.364 7.686 -3.871 90 1HD1 ILE 10 HD11 ILE 10 -2.171 6.151 -5.549 91 2HD1 ILE 10 HD12 ILE 10 -0.550 5.750 -4.984 92 3HD1 ILE 10 HD13 ILE 10 -0.803 6.254 -6.653 93 H ALA 11 HN ALA 11 -2.420 9.404 -1.517 94 HA ALA 11 HA ALA 11 -0.919 8.637 0.818 95 1HB ALA 11 HB1 ALA 11 -1.390 10.980 0.469 96 2HB ALA 11 HB2 ALA 11 -2.251 10.491 1.927 97 3HB ALA 11 HB3 ALA 11 -3.127 10.680 0.409 98 H LEU 12 HN LEU 12 -4.367 8.357 -0.039 99 HA LEU 12 HA LEU 12 -5.258 7.389 2.493 100 1HB LEU 12 HB2 LEU 12 -6.263 6.868 -0.311 101 2HB LEU 12 HB1 LEU 12 -7.098 6.297 1.131 102 HG LEU 12 HG LEU 12 -6.385 9.205 0.626 103 1HD1 LEU 12 HD11 LEU 12 -8.002 8.308 -1.050 104 2HD1 LEU 12 HD12 LEU 12 -8.732 9.516 0.007 105 3HD1 LEU 12 HD13 LEU 12 -9.056 7.803 0.272 106 1HD2 LEU 12 HD21 LEU 12 -6.745 9.114 2.912 107 2HD2 LEU 12 HD22 LEU 12 -7.803 7.708 2.812 108 3HD2 LEU 12 HD23 LEU 12 -8.412 9.301 2.381 109 H ILE 13 HN ILE 13 -3.966 5.673 -0.349 110 HA ILE 13 HA ILE 13 -4.230 3.035 0.711 111 HB ILE 13 HB ILE 13 -2.155 4.207 -1.167 112 1HG1 ILE 13 HG12 ILE 13 -4.559 2.458 -1.766 113 2HG1 ILE 13 HG11 ILE 13 -4.589 4.218 -1.877 114 1HG2 ILE 13 HG21 ILE 13 -1.196 2.210 -0.266 115 2HG2 ILE 13 HG22 ILE 13 -1.874 1.755 -1.828 116 3HG2 ILE 13 HG23 ILE 13 -2.736 1.355 -0.342 117 1HD1 ILE 13 HD11 ILE 13 -4.109 3.469 -4.086 118 2HD1 ILE 13 HD12 ILE 13 -2.945 2.277 -3.510 119 3HD1 ILE 13 HD13 ILE 13 -2.557 3.996 -3.437 120 H THR 14 HN THR 14 -1.674 5.475 0.973 121 HA THR 14 HA THR 14 0.168 3.878 2.464 122 HB THR 14 HB THR 14 -0.196 6.882 2.440 123 HG1 THR 14 HG1 THR 14 0.535 6.646 0.503 124 1HG2 THR 14 HG21 THR 14 2.090 5.112 3.338 125 2HG2 THR 14 HG22 THR 14 1.157 6.230 4.334 126 3HG2 THR 14 HG23 THR 14 2.235 6.851 3.085 127 H MET 15 HN MET 15 -2.451 6.060 3.489 128 HA MET 15 HA MET 15 -1.833 5.879 6.301 129 1HB MET 15 HB2 MET 15 -4.360 6.636 4.818 130 2HB MET 15 HB1 MET 15 -4.202 6.726 6.572 131 1HG MET 15 HG2 MET 15 -2.287 8.262 6.325 132 2HG MET 15 HG1 MET 15 -2.443 8.176 4.571 133 1HE MET 15 HE1 MET 15 -3.547 11.729 5.697 134 2HE MET 15 HE2 MET 15 -2.988 10.979 4.204 135 3HE MET 15 HE3 MET 15 -2.159 10.632 5.720 136 H ALA 16 HN ALA 16 -4.046 4.093 4.175 137 HA ALA 16 HA ALA 16 -5.444 2.612 6.122 138 1HB ALA 16 HB1 ALA 16 -4.603 2.001 3.293 139 2HB ALA 16 HB2 ALA 16 -6.208 2.407 3.899 140 3HB ALA 16 HB3 ALA 16 -5.516 0.821 4.239 141 H ILE 17 HN ILE 17 -2.310 1.909 4.599 142 HA ILE 17 HA ILE 17 -1.914 -0.637 5.849 143 HB ILE 17 HB ILE 17 0.167 1.401 4.980 144 1HG1 ILE 17 HG12 ILE 17 -0.984 -0.919 3.410 145 2HG1 ILE 17 HG11 ILE 17 -1.585 0.733 3.265 146 1HG2 ILE 17 HG21 ILE 17 1.242 -0.305 6.259 147 2HG2 ILE 17 HG22 ILE 17 1.465 -0.780 4.575 148 3HG2 ILE 17 HG23 ILE 17 0.231 -1.569 5.557 149 1HD1 ILE 17 HD11 ILE 17 1.320 -0.016 2.863 150 2HD1 ILE 17 HD12 ILE 17 0.554 1.532 2.501 151 3HD1 ILE 17 HD13 ILE 17 0.157 0.106 1.543 152 H GLN 18 HN GLN 18 -1.066 2.666 6.807 153 HA GLN 18 HA GLN 18 0.427 1.951 9.157 154 1HB GLN 18 HB2 GLN 18 -1.086 4.477 8.446 155 2HB GLN 18 HB1 GLN 18 -0.057 4.321 9.869 156 1HG GLN 18 HG2 GLN 18 1.845 3.703 8.372 157 2HG GLN 18 HG1 GLN 18 0.800 4.005 6.982 158 1HE2 GLN 18 HE21 GLN 18 -0.372 6.329 7.226 159 2HE2 GLN 18 HE22 GLN 18 0.670 7.594 7.664 160 H ASN 19 HN ASN 19 -3.013 2.754 8.690 161 HA ASN 19 HA ASN 19 -3.541 2.297 11.565 162 1HB ASN 19 HB2 ASN 19 -5.885 2.913 10.925 163 2HB ASN 19 HB1 ASN 19 -4.697 4.155 10.526 164 1HD2 ASN 19 HD21 ASN 19 -4.942 4.966 8.455 165 2HD2 ASN 19 HD22 ASN 19 -5.567 4.106 7.133 166 H ALA 20 HN ALA 20 -2.990 0.229 9.147 167 HA ALA 20 HA ALA 20 -5.343 -1.480 9.350 168 1HB ALA 20 HB1 ALA 20 -3.858 -3.131 8.137 169 2HB ALA 20 HB2 ALA 20 -2.577 -1.920 8.196 170 3HB ALA 20 HB3 ALA 20 -4.067 -1.588 7.310 171 HA PRO 21 HA PRO 21 -4.064 -3.046 13.450 172 1HB PRO 21 HB2 PRO 21 -5.697 -5.353 12.410 173 2HB PRO 21 HB1 PRO 21 -5.705 -4.612 14.024 174 1HG PRO 21 HG2 PRO 21 -7.620 -4.062 12.268 175 2HG PRO 21 HG1 PRO 21 -6.969 -2.805 13.334 176 1HD PRO 21 HD2 PRO 21 -6.543 -3.187 10.406 177 2HD PRO 21 HD1 PRO 21 -6.496 -1.691 11.366 178 H GLU 22 HN GLU 22 -3.789 -4.652 10.369 179 HA GLU 22 HA GLU 22 -1.398 -6.184 11.347 180 1HB GLU 22 HB2 GLU 22 -3.335 -7.656 10.749 181 2HB GLU 22 HB1 GLU 22 -3.335 -6.954 9.134 182 1HG GLU 22 HG2 GLU 22 -2.108 -9.039 9.049 183 2HG GLU 22 HG1 GLU 22 -0.949 -7.722 8.876 184 H LYS 23 HN LYS 23 0.466 -5.661 10.218 185 HA LYS 23 HA LYS 23 0.482 -3.477 8.392 186 1HB LYS 23 HB2 LYS 23 2.519 -5.692 8.811 187 2HB LYS 23 HB1 LYS 23 2.822 -4.246 7.850 188 1HG LYS 23 HG2 LYS 23 1.876 -4.005 10.704 189 2HG LYS 23 HG1 LYS 23 3.579 -4.279 10.349 190 1HD LYS 23 HD2 LYS 23 3.685 -2.251 9.014 191 2HD LYS 23 HD1 LYS 23 1.952 -1.992 9.189 192 1HE LYS 23 HE2 LYS 23 3.870 -2.119 11.524 193 2HE LYS 23 HE1 LYS 23 3.344 -0.617 10.766 194 1HZ LYS 23 HZ1 LYS 23 1.893 -0.959 12.554 195 2HZ LYS 23 HZ2 LYS 23 1.701 -2.612 12.207 196 3HZ LYS 23 HZ3 LYS 23 1.010 -1.441 11.188 197 H LYS 24 HN LYS 24 0.433 -6.985 7.841 198 HA LYS 24 HA LYS 24 0.392 -6.573 4.916 199 1HB LYS 24 HB2 LYS 24 0.167 -9.053 6.652 200 2HB LYS 24 HB1 LYS 24 0.095 -9.082 4.890 201 1HG LYS 24 HG2 LYS 24 2.325 -8.040 4.771 202 2HG LYS 24 HG1 LYS 24 2.404 -8.012 6.533 203 1HD LYS 24 HD2 LYS 24 2.226 -10.473 6.585 204 2HD LYS 24 HD1 LYS 24 2.148 -10.505 4.822 205 1HE LYS 24 HE2 LYS 24 4.376 -9.560 4.652 206 2HE LYS 24 HE1 LYS 24 4.455 -9.330 6.400 207 1HZ LYS 24 HZ1 LYS 24 4.723 -11.550 6.776 208 2HZ LYS 24 HZ2 LYS 24 5.507 -11.420 5.274 209 3HZ LYS 24 HZ3 LYS 24 3.918 -12.016 5.357 210 H ILE 25 HN ILE 25 -1.486 -5.995 3.982 211 HA ILE 25 HA ILE 25 -4.065 -7.042 5.106 212 HB ILE 25 HB ILE 25 -3.764 -4.662 5.707 213 1HG1 ILE 25 HG12 ILE 25 -5.777 -4.920 3.458 214 2HG1 ILE 25 HG11 ILE 25 -6.014 -5.658 5.043 215 1HG2 ILE 25 HG21 ILE 25 -3.749 -4.119 2.728 216 2HG2 ILE 25 HG22 ILE 25 -2.273 -4.199 3.691 217 3HG2 ILE 25 HG23 ILE 25 -3.486 -2.966 4.037 218 1HD1 ILE 25 HD11 ILE 25 -5.893 -3.486 6.128 219 2HD1 ILE 25 HD12 ILE 25 -7.092 -3.406 4.838 220 3HD1 ILE 25 HD13 ILE 25 -5.492 -2.705 4.599 221 H THR 26 HN THR 26 -5.617 -7.597 3.564 222 HA THR 26 HA THR 26 -4.568 -8.166 0.899 223 HB THR 26 HB THR 26 -6.628 -9.342 0.535 224 HG1 THR 26 HG1 THR 26 -7.550 -7.448 2.252 225 1HG2 THR 26 HG21 THR 26 -6.096 -9.602 3.499 226 2HG2 THR 26 HG22 THR 26 -5.004 -10.247 2.273 227 3HG2 THR 26 HG23 THR 26 -6.657 -10.848 2.385 228 H LEU 27 HN LEU 27 -5.754 -7.534 -1.053 229 HA LEU 27 HA LEU 27 -6.047 -4.719 -1.321 230 1HB LEU 27 HB2 LEU 27 -5.522 -6.312 -3.150 231 2HB LEU 27 HB1 LEU 27 -7.144 -6.981 -3.030 232 HG LEU 27 HG LEU 27 -8.114 -4.826 -3.729 233 1HD1 LEU 27 HD11 LEU 27 -5.232 -3.951 -3.517 234 2HD1 LEU 27 HD12 LEU 27 -6.680 -3.153 -2.900 235 3HD1 LEU 27 HD13 LEU 27 -6.330 -3.131 -4.625 236 1HD2 LEU 27 HD21 LEU 27 -5.961 -6.116 -5.406 237 2HD2 LEU 27 HD22 LEU 27 -6.833 -4.723 -6.024 238 3HD2 LEU 27 HD23 LEU 27 -7.712 -6.185 -5.590 239 H ASN 28 HN ASN 28 -8.419 -7.328 -0.962 240 HA ASN 28 HA ASN 28 -10.766 -5.721 -1.122 241 1HB ASN 28 HB2 ASN 28 -10.218 -8.349 0.268 242 2HB ASN 28 HB1 ASN 28 -11.825 -7.630 0.159 243 1HD2 ASN 28 HD21 ASN 28 -10.880 -10.166 -1.104 244 2HD2 ASN 28 HD22 ASN 28 -11.109 -9.966 -2.774 245 H GLY 29 HN GLY 29 -8.732 -6.661 1.627 246 1HA GLY 29 HA2 GLY 29 -10.377 -5.638 3.702 247 2HA GLY 29 HA1 GLY 29 -8.629 -5.825 3.812 248 H ILE 30 HN ILE 30 -7.946 -4.013 1.680 249 HA ILE 30 HA ILE 30 -7.857 -1.573 3.133 250 HB ILE 30 HB ILE 30 -7.449 -2.152 0.188 251 1HG1 ILE 30 HG12 ILE 30 -5.480 -1.492 2.398 252 2HG1 ILE 30 HG11 ILE 30 -5.900 -3.139 1.935 253 1HG2 ILE 30 HG21 ILE 30 -6.257 0.096 0.230 254 2HG2 ILE 30 HG22 ILE 30 -7.051 0.399 1.775 255 3HG2 ILE 30 HG23 ILE 30 -8.016 0.184 0.314 256 1HD1 ILE 30 HD11 ILE 30 -4.958 -1.182 -0.152 257 2HD1 ILE 30 HD12 ILE 30 -4.891 -2.944 -0.171 258 3HD1 ILE 30 HD13 ILE 30 -3.793 -2.030 0.864 259 H TYR 31 HN TYR 31 -10.119 -2.642 0.560 260 HA TYR 31 HA TYR 31 -11.467 -0.128 0.316 261 1HB TYR 31 HB2 TYR 31 -12.708 -2.888 0.110 262 2HB TYR 31 HB1 TYR 31 -13.403 -1.402 -0.513 263 HD1 TYR 31 HD1 TYR 31 -12.243 -4.205 -1.739 264 HD2 TYR 31 HD2 TYR 31 -11.087 -0.066 -1.829 265 HE1 TYR 31 HE1 TYR 31 -11.016 -4.587 -3.860 266 HE2 TYR 31 HE2 TYR 31 -9.888 -0.453 -3.947 267 HH TYR 31 HH TYR 31 -9.620 -1.906 -5.659 268 H GLN 32 HN GLN 32 -12.039 -2.854 2.532 269 HA GLN 32 HA GLN 32 -14.388 -1.820 3.731 270 1HB GLN 32 HB2 GLN 32 -13.550 -4.127 4.074 271 2HB GLN 32 HB1 GLN 32 -12.225 -3.487 5.045 272 1HG GLN 32 HG2 GLN 32 -13.805 -2.565 6.665 273 2HG GLN 32 HG1 GLN 32 -15.165 -3.086 5.671 274 1HE2 GLN 32 HE21 GLN 32 -16.091 -4.767 6.884 275 2HE2 GLN 32 HE22 GLN 32 -15.235 -6.113 7.462 276 H PHE 33 HN PHE 33 -10.969 -1.247 4.585 277 HA PHE 33 HA PHE 33 -11.459 0.228 6.965 278 1HB PHE 33 HB2 PHE 33 -9.204 -0.507 6.366 279 2HB PHE 33 HB1 PHE 33 -9.216 0.543 4.948 280 HD1 PHE 33 HD1 PHE 33 -9.022 0.423 8.623 281 HD2 PHE 33 HD2 PHE 33 -9.058 2.972 5.166 282 HE1 PHE 33 HE1 PHE 33 -8.239 2.321 10.013 283 HE2 PHE 33 HE2 PHE 33 -8.274 4.870 6.556 284 HZ PHE 33 HZ PHE 33 -7.865 4.544 8.980 285 H ILE 34 HN ILE 34 -11.049 1.402 3.622 286 HA ILE 34 HA ILE 34 -11.387 4.156 4.197 287 HB ILE 34 HB ILE 34 -11.953 2.533 1.706 288 1HG1 ILE 34 HG12 ILE 34 -9.713 4.460 2.388 289 2HG1 ILE 34 HG11 ILE 34 -9.607 2.719 2.642 290 1HG2 ILE 34 HG21 ILE 34 -11.794 4.822 0.577 291 2HG2 ILE 34 HG22 ILE 34 -12.037 5.522 2.177 292 3HG2 ILE 34 HG23 ILE 34 -13.287 4.507 1.461 293 1HD1 ILE 34 HD11 ILE 34 -10.315 3.895 -0.047 294 2HD1 ILE 34 HD12 ILE 34 -9.755 2.261 0.320 295 3HD1 ILE 34 HD13 ILE 34 -8.642 3.625 0.442 296 H MET 35 HN MET 35 -13.836 1.666 3.462 297 HA MET 35 HA MET 35 -16.067 3.427 3.262 298 1HB MET 35 HB2 MET 35 -15.930 0.577 4.290 299 2HB MET 35 HB1 MET 35 -17.422 1.429 3.893 300 1HG MET 35 HG2 MET 35 -16.804 1.612 1.577 301 2HG MET 35 HG1 MET 35 -15.166 1.055 1.916 302 1HE MET 35 HE1 MET 35 -16.843 -1.128 -0.393 303 2HE MET 35 HE2 MET 35 -15.496 -1.989 0.343 304 3HE MET 35 HE3 MET 35 -15.372 -0.258 0.058 305 H ASP 36 HN ASP 36 -14.674 1.778 6.115 306 HA ASP 36 HA ASP 36 -16.644 2.872 7.939 307 1HB ASP 36 HB2 ASP 36 -13.966 1.529 8.339 308 2HB ASP 36 HB1 ASP 36 -14.948 2.097 9.690 309 H ARG 37 HN ARG 37 -13.176 3.639 7.415 310 HA ARG 37 HA ARG 37 -13.107 5.822 9.233 311 1HB ARG 37 HB2 ARG 37 -11.112 4.710 8.126 312 2HB ARG 37 HB1 ARG 37 -11.514 5.605 6.664 313 1HG ARG 37 HG2 ARG 37 -9.922 6.991 7.690 314 2HG ARG 37 HG1 ARG 37 -11.444 7.710 8.202 315 1HD ARG 37 HD2 ARG 37 -11.298 6.602 10.366 316 2HD ARG 37 HD1 ARG 37 -9.879 5.696 9.845 317 HE ARG 37 HE ARG 37 -9.166 8.366 9.518 318 1HH1 ARG 37 HH21 ARG 37 -10.354 6.342 12.047 319 2HH1 ARG 37 HH22 ARG 37 -9.596 7.255 13.311 320 1HH2 ARG 37 HH11 ARG 37 -8.174 9.566 11.153 321 2HH2 ARG 37 HH12 ARG 37 -8.363 9.077 12.804 322 H PHE 38 HN PHE 38 -13.738 5.759 5.734 323 HA PHE 38 HA PHE 38 -14.962 8.487 5.968 324 1HB PHE 38 HB2 PHE 38 -13.652 7.309 3.509 325 2HB PHE 38 HB1 PHE 38 -14.177 8.976 3.753 326 HD1 PHE 38 HD1 PHE 38 -13.078 10.315 5.664 327 HD2 PHE 38 HD2 PHE 38 -11.474 6.637 4.136 328 HE1 PHE 38 HE1 PHE 38 -10.869 10.867 6.649 329 HE2 PHE 38 HE2 PHE 38 -9.267 7.188 5.119 330 HZ PHE 38 HZ PHE 38 -8.965 9.303 6.377 331 HA PRO 39 HA PRO 39 -18.330 5.747 4.525 332 1HB PRO 39 HB2 PRO 39 -20.431 7.195 5.387 333 2HB PRO 39 HB1 PRO 39 -19.389 6.310 6.521 334 1HG PRO 39 HG2 PRO 39 -19.392 9.217 5.836 335 2HG PRO 39 HG1 PRO 39 -19.233 8.437 7.420 336 1HD PRO 39 HD2 PRO 39 -17.088 9.371 5.927 337 2HD PRO 39 HD1 PRO 39 -16.958 8.098 7.160 338 H PHE 40 HN PHE 40 -17.492 8.870 3.443 339 HA PHE 40 HA PHE 40 -19.690 9.513 1.753 340 1HB PHE 40 HB2 PHE 40 -16.963 10.109 0.694 341 2HB PHE 40 HB1 PHE 40 -18.336 11.184 0.924 342 HD1 PHE 40 HD1 PHE 40 -19.033 11.159 3.655 343 HD2 PHE 40 HD2 PHE 40 -15.110 10.758 1.945 344 HE1 PHE 40 HE1 PHE 40 -18.025 12.027 5.751 345 HE2 PHE 40 HE2 PHE 40 -14.110 11.628 4.037 346 HZ PHE 40 HZ PHE 40 -15.566 12.262 5.941 347 H TYR 41 HN TYR 41 -16.972 7.334 1.347 348 HA TYR 41 HA TYR 41 -17.287 6.816 -1.448 349 1HB TYR 41 HB2 TYR 41 -16.072 5.192 0.800 350 2HB TYR 41 HB1 TYR 41 -15.961 4.738 -0.903 351 HD1 TYR 41 HD1 TYR 41 -14.587 5.989 -2.454 352 HD2 TYR 41 HD2 TYR 41 -15.009 7.264 1.618 353 HE1 TYR 41 HE1 TYR 41 -12.718 7.585 -2.769 354 HE2 TYR 41 HE2 TYR 41 -13.140 8.864 1.317 355 HH TYR 41 HH TYR 41 -11.635 9.689 -0.092 356 H ARG 42 HN ARG 42 -18.969 5.559 1.371 357 HA ARG 42 HA ARG 42 -19.993 3.172 0.206 358 1HB ARG 42 HB2 ARG 42 -21.159 5.016 2.307 359 2HB ARG 42 HB1 ARG 42 -21.899 3.480 1.852 360 1HG ARG 42 HG2 ARG 42 -19.817 2.296 2.436 361 2HG ARG 42 HG1 ARG 42 -19.072 3.828 2.894 362 1HD ARG 42 HD2 ARG 42 -19.972 2.545 4.849 363 2HD ARG 42 HD1 ARG 42 -20.699 4.143 4.674 364 HE ARG 42 HE ARG 42 -22.428 2.510 3.278 365 1HH1 ARG 42 HH21 ARG 42 -20.977 2.451 6.405 366 2HH1 ARG 42 HH22 ARG 42 -22.333 1.687 7.164 367 1HH2 ARG 42 HH11 ARG 42 -24.209 1.516 4.255 368 2HH2 ARG 42 HH12 ARG 42 -24.161 1.157 5.949 369 H GLU 43 HN GLU 43 -21.149 6.534 0.029 370 HA GLU 43 HA GLU 43 -23.590 5.966 -1.321 371 1HB GLU 43 HB2 GLU 43 -21.772 8.383 -1.451 372 2HB GLU 43 HB1 GLU 43 -23.352 8.319 -2.232 373 1HG GLU 43 HG2 GLU 43 -24.417 7.864 -0.054 374 2HG GLU 43 HG1 GLU 43 -22.839 7.931 0.732 375 H ASN 44 HN ASN 44 -20.329 6.428 -2.470 376 HA ASN 44 HA ASN 44 -21.157 5.471 -5.199 377 1HB ASN 44 HB2 ASN 44 -18.930 7.345 -4.356 378 2HB ASN 44 HB1 ASN 44 -19.078 6.670 -5.980 379 1HD2 ASN 44 HD21 ASN 44 -19.350 9.543 -5.146 380 2HD2 ASN 44 HD22 ASN 44 -20.904 10.015 -5.642 381 H LYS 45 HN LYS 45 -20.681 3.298 -5.122 382 HA LYS 45 HA LYS 45 -18.226 2.368 -3.768 383 1HB LYS 45 HB2 LYS 45 -20.424 0.862 -5.205 384 2HB LYS 45 HB1 LYS 45 -19.096 0.115 -4.315 385 1HG LYS 45 HG2 LYS 45 -19.829 1.267 -2.258 386 2HG LYS 45 HG1 LYS 45 -21.158 2.010 -3.148 387 1HD LYS 45 HD2 LYS 45 -22.053 -0.240 -3.670 388 2HD LYS 45 HD1 LYS 45 -20.737 -0.967 -2.745 389 1HE LYS 45 HE2 LYS 45 -21.511 0.376 -0.751 390 2HE LYS 45 HE1 LYS 45 -22.925 0.845 -1.694 391 1HZ LYS 45 HZ1 LYS 45 -22.634 -1.437 -0.199 392 2HZ LYS 45 HZ2 LYS 45 -22.489 -1.961 -1.808 393 3HZ LYS 45 HZ3 LYS 45 -23.871 -1.106 -1.312 394 H GLN 46 HN GLN 46 -19.677 1.817 -6.989 395 HA GLN 46 HA GLN 46 -17.213 0.844 -8.119 396 1HB GLN 46 HB2 GLN 46 -19.733 1.914 -9.418 397 2HB GLN 46 HB1 GLN 46 -18.419 1.130 -10.297 398 1HG GLN 46 HG2 GLN 46 -18.721 -0.909 -8.945 399 2HG GLN 46 HG1 GLN 46 -20.032 -0.130 -8.059 400 1HE2 GLN 46 HE21 GLN 46 -22.036 0.368 -9.276 401 2HE2 GLN 46 HE22 GLN 46 -22.389 -0.458 -10.716 402 H GLY 47 HN GLY 47 -15.641 1.919 -9.271 403 1HA GLY 47 HA2 GLY 47 -15.031 3.867 -10.705 404 2HA GLY 47 HA1 GLY 47 -15.932 4.891 -9.591 405 H TRP 48 HN TRP 48 -15.086 4.393 -7.149 406 HA TRP 48 HA TRP 48 -12.277 5.224 -7.241 407 1HB TRP 48 HB2 TRP 48 -12.504 5.696 -4.908 408 2HB TRP 48 HB1 TRP 48 -13.988 6.225 -5.692 409 HD1 TRP 48 HD1 TRP 48 -16.214 4.820 -5.205 410 HE1 TRP 48 HE1 TRP 48 -16.818 3.220 -3.290 411 HE3 TRP 48 HE3 TRP 48 -11.556 3.828 -3.354 412 HZ2 TRP 48 HZ2 TRP 48 -15.524 1.698 -1.249 413 HZ3 TRP 48 HZ3 TRP 48 -11.277 2.291 -1.436 414 HH2 TRP 48 HH2 TRP 48 -13.249 1.228 -0.379 415 H GLN 49 HN GLN 49 -14.043 2.297 -6.430 416 HA GLN 49 HA GLN 49 -11.952 1.012 -4.951 417 1HB GLN 49 HB2 GLN 49 -14.210 -0.102 -6.638 418 2HB GLN 49 HB1 GLN 49 -13.136 -1.108 -5.665 419 1HG GLN 49 HG2 GLN 49 -13.790 0.139 -3.640 420 2HG GLN 49 HG1 GLN 49 -14.867 1.146 -4.608 421 1HE2 GLN 49 HE21 GLN 49 -15.394 -1.463 -6.282 422 2HE2 GLN 49 HE22 GLN 49 -16.561 -2.275 -5.355 423 H ASN 50 HN ASN 50 -12.703 1.073 -8.430 424 HA ASN 50 HA ASN 50 -10.632 -0.785 -9.174 425 1HB ASN 50 HB2 ASN 50 -12.178 1.274 -10.755 426 2HB ASN 50 HB1 ASN 50 -11.008 0.177 -11.487 427 1HD2 ASN 50 HD21 ASN 50 -13.832 0.090 -12.126 428 2HD2 ASN 50 HD22 ASN 50 -14.439 -1.397 -11.574 429 H SER 51 HN SER 51 -10.699 2.778 -9.018 430 HA SER 51 HA SER 51 -8.224 3.225 -10.331 431 1HB SER 51 HB2 SER 51 -9.560 4.791 -8.109 432 2HB SER 51 HB1 SER 51 -8.168 5.366 -9.023 433 HG SER 51 HG SER 51 -10.593 4.503 -10.214 434 H ILE 52 HN ILE 52 -8.896 2.508 -6.908 435 HA ILE 52 HA ILE 52 -6.249 2.906 -5.938 436 HB ILE 52 HB ILE 52 -8.386 0.959 -5.035 437 1HG1 ILE 52 HG12 ILE 52 -9.084 3.316 -4.943 438 2HG1 ILE 52 HG11 ILE 52 -8.862 2.673 -3.321 439 1HG2 ILE 52 HG21 ILE 52 -5.761 1.781 -3.796 440 2HG2 ILE 52 HG22 ILE 52 -6.367 0.153 -4.099 441 3HG2 ILE 52 HG23 ILE 52 -7.088 1.140 -2.828 442 1HD1 ILE 52 HD11 ILE 52 -7.286 4.738 -4.781 443 2HD1 ILE 52 HD12 ILE 52 -6.389 3.678 -3.699 444 3HD1 ILE 52 HD13 ILE 52 -7.716 4.648 -3.076 445 H ARG 53 HN ARG 53 -7.776 0.050 -7.419 446 HA ARG 53 HA ARG 53 -5.538 -1.721 -7.009 447 1HB ARG 53 HB2 ARG 53 -7.548 -1.841 -9.282 448 2HB ARG 53 HB1 ARG 53 -6.633 -3.181 -8.586 449 1HG ARG 53 HG2 ARG 53 -7.773 -2.658 -6.386 450 2HG ARG 53 HG1 ARG 53 -8.830 -1.577 -7.280 451 1HD ARG 53 HD2 ARG 53 -9.063 -3.810 -8.821 452 2HD ARG 53 HD1 ARG 53 -8.789 -4.547 -7.238 453 HE ARG 53 HE ARG 53 -10.730 -2.664 -6.723 454 1HH1 ARG 53 HH21 ARG 53 -10.291 -5.179 -9.041 455 2HH1 ARG 53 HH22 ARG 53 -11.979 -5.546 -9.160 456 1HH2 ARG 53 HH11 ARG 53 -12.939 -3.132 -6.864 457 2HH2 ARG 53 HH12 ARG 53 -13.477 -4.387 -7.929 458 H HIS 54 HN HIS 54 -6.431 0.521 -9.609 459 HA HIS 54 HA HIS 54 -4.489 -0.275 -11.523 460 1HB HIS 54 HB2 HIS 54 -6.329 1.294 -12.024 461 2HB HIS 54 HB1 HIS 54 -5.589 2.500 -10.973 462 HD1 HIS 54 HD1 HIS 54 -4.541 0.400 -13.993 463 HD2 HIS 54 HD2 HIS 54 -3.920 4.187 -12.366 464 HE1 HIS 54 HE1 HIS 54 -3.075 1.652 -15.634 465 H ASN 55 HN ASN 55 -4.276 2.107 -8.878 466 HA ASN 55 HA ASN 55 -1.553 2.856 -9.467 467 1HB ASN 55 HB2 ASN 55 -3.260 3.112 -6.979 468 2HB ASN 55 HB1 ASN 55 -1.609 3.728 -7.072 469 1HD2 ASN 55 HD21 ASN 55 -1.236 5.153 -9.171 470 2HD2 ASN 55 HD22 ASN 55 -2.481 6.244 -9.546 471 H LEU 56 HN LEU 56 -3.030 0.425 -7.343 472 HA LEU 56 HA LEU 56 -0.552 -0.371 -6.116 473 1HB LEU 56 HB2 LEU 56 -3.226 -1.740 -6.391 474 2HB LEU 56 HB1 LEU 56 -1.875 -2.464 -5.521 475 HG LEU 56 HG LEU 56 -2.974 0.298 -4.918 476 1HD1 LEU 56 HD11 LEU 56 -4.156 -0.707 -3.046 477 2HD1 LEU 56 HD12 LEU 56 -3.503 -2.297 -3.441 478 3HD1 LEU 56 HD13 LEU 56 -4.650 -1.516 -4.532 479 1HD2 LEU 56 HD21 LEU 56 -0.853 0.278 -3.948 480 2HD2 LEU 56 HD22 LEU 56 -0.853 -1.468 -3.713 481 3HD2 LEU 56 HD23 LEU 56 -1.788 -0.434 -2.640 482 H SER 57 HN SER 57 0.340 -0.240 -8.544 483 HA SER 57 HA SER 57 1.216 -2.898 -9.181 484 1HB SER 57 HB2 SER 57 0.219 -2.970 -11.504 485 2HB SER 57 HB1 SER 57 -0.949 -3.207 -10.207 486 HG SER 57 HG SER 57 -1.896 -1.663 -11.359 487 H LEU 58 HN LEU 58 0.528 0.213 -10.813 488 HA LEU 58 HA LEU 58 3.012 0.234 -12.279 489 1HB LEU 58 HB2 LEU 58 1.126 2.473 -11.486 490 2HB LEU 58 HB1 LEU 58 2.489 2.683 -12.581 491 HG LEU 58 HG LEU 58 0.478 0.514 -13.156 492 1HD1 LEU 58 HD11 LEU 58 0.138 3.461 -13.789 493 2HD1 LEU 58 HD12 LEU 58 -0.917 2.474 -12.777 494 3HD1 LEU 58 HD13 LEU 58 -0.817 2.165 -14.511 495 1HD2 LEU 58 HD21 LEU 58 2.697 0.957 -14.438 496 2HD2 LEU 58 HD22 LEU 58 1.878 2.373 -15.089 497 3HD2 LEU 58 HD23 LEU 58 1.227 0.762 -15.389 498 H ASN 59 HN ASN 59 1.958 1.618 -9.181 499 HA ASN 59 HA ASN 59 4.465 2.983 -8.685 500 1HB ASN 59 HB2 ASN 59 2.307 2.084 -6.748 501 2HB ASN 59 HB1 ASN 59 3.627 3.190 -6.361 502 1HD2 ASN 59 HD21 ASN 59 0.464 3.404 -6.850 503 2HD2 ASN 59 HD22 ASN 59 0.354 4.838 -7.753 504 H GLU 60 HN GLU 60 6.341 2.031 -8.137 505 HA GLU 60 HA GLU 60 6.358 -0.827 -7.390 506 1HB GLU 60 HB2 GLU 60 8.586 1.143 -7.988 507 2HB GLU 60 HB1 GLU 60 8.820 -0.579 -7.678 508 1HG GLU 60 HG2 GLU 60 7.399 -1.143 -9.598 509 2HG GLU 60 HG1 GLU 60 7.102 0.570 -9.902 510 H CYS 61 HN CYS 61 6.012 2.001 -5.735 511 HA CYS 61 HA CYS 61 7.871 1.730 -3.569 512 1HB CYS 61 HB2 CYS 61 5.138 3.027 -3.738 513 2HB CYS 61 HB1 CYS 61 6.171 3.130 -2.313 514 HG CYS 61 HG CYS 61 7.531 4.852 -3.455 515 H PHE 62 HN PHE 62 4.590 0.446 -4.083 516 HA PHE 62 HA PHE 62 4.510 -0.792 -1.439 517 1HB PHE 62 HB2 PHE 62 2.760 -1.241 -3.877 518 2HB PHE 62 HB1 PHE 62 2.418 -1.828 -2.250 519 HD1 PHE 62 HD1 PHE 62 1.943 0.864 -4.525 520 HD2 PHE 62 HD2 PHE 62 2.424 -0.016 -0.348 521 HE1 PHE 62 HE1 PHE 62 0.918 3.046 -3.946 522 HE2 PHE 62 HE2 PHE 62 1.394 2.164 0.230 523 HZ PHE 62 HZ PHE 62 0.642 3.695 -1.569 524 H VAL 63 HN VAL 63 4.640 -3.046 -1.017 525 HA VAL 63 HA VAL 63 6.036 -4.662 -3.132 526 HB VAL 63 HB VAL 63 6.311 -4.856 -0.118 527 1HG1 VAL 63 HG11 VAL 63 7.567 -6.326 -2.438 528 2HG1 VAL 63 HG12 VAL 63 6.719 -6.999 -1.045 529 3HG1 VAL 63 HG13 VAL 63 8.319 -6.284 -0.843 530 1HG2 VAL 63 HG21 VAL 63 7.521 -2.928 -0.545 531 2HG2 VAL 63 HG22 VAL 63 7.855 -3.366 -2.219 532 3HG2 VAL 63 HG23 VAL 63 8.768 -4.118 -0.914 533 H LYS 64 HN LYS 64 4.932 -6.457 -3.738 534 HA LYS 64 HA LYS 64 2.527 -7.238 -2.185 535 1HB LYS 64 HB2 LYS 64 2.532 -6.939 -4.719 536 2HB LYS 64 HB1 LYS 64 3.503 -8.410 -4.804 537 1HG LYS 64 HG2 LYS 64 1.688 -9.562 -3.466 538 2HG LYS 64 HG1 LYS 64 0.706 -8.116 -3.679 539 1HD LYS 64 HD2 LYS 64 1.893 -9.726 -5.956 540 2HD LYS 64 HD1 LYS 64 0.233 -9.884 -5.387 541 1HE LYS 64 HE2 LYS 64 0.012 -8.381 -7.173 542 2HE LYS 64 HE1 LYS 64 0.117 -7.301 -5.788 543 1HZ LYS 64 HZ1 LYS 64 2.708 -7.937 -6.696 544 2HZ LYS 64 HZ2 LYS 64 1.951 -6.419 -6.618 545 3HZ LYS 64 HZ3 LYS 64 1.782 -7.385 -8.004 546 H VAL 65 HN VAL 65 2.623 -8.899 -0.781 547 HA VAL 65 HA VAL 65 4.734 -11.003 -1.121 548 HB VAL 65 HB VAL 65 4.394 -10.912 1.605 549 1HG1 VAL 65 HG11 VAL 65 6.327 -9.292 -0.077 550 2HG1 VAL 65 HG12 VAL 65 6.570 -10.929 0.534 551 3HG1 VAL 65 HG13 VAL 65 6.509 -9.569 1.655 552 1HG2 VAL 65 HG21 VAL 65 4.299 -8.026 0.683 553 2HG2 VAL 65 HG22 VAL 65 4.331 -8.612 2.347 554 3HG2 VAL 65 HG23 VAL 65 2.913 -8.895 1.340 555 HA PRO 66 HA PRO 66 0.454 -12.818 -0.878 556 1HB PRO 66 HB2 PRO 66 1.687 -14.832 -2.683 557 2HB PRO 66 HB1 PRO 66 0.186 -13.912 -2.885 558 1HG PRO 66 HG2 PRO 66 2.377 -13.384 -4.340 559 2HG PRO 66 HG1 PRO 66 1.261 -12.105 -3.828 560 1HD PRO 66 HD2 PRO 66 3.945 -12.833 -2.686 561 2HD PRO 66 HD1 PRO 66 3.223 -11.226 -2.926 562 H ARG 67 HN ARG 67 -0.204 -14.746 0.231 563 HA ARG 67 HA ARG 67 1.803 -15.856 2.011 564 1HB ARG 67 HB2 ARG 67 -0.380 -17.551 2.261 565 2HB ARG 67 HB1 ARG 67 -0.153 -16.069 3.176 566 1HG ARG 67 HG2 ARG 67 -1.442 -14.803 1.543 567 2HG ARG 67 HG1 ARG 67 -1.570 -16.223 0.506 568 1HD ARG 67 HD2 ARG 67 -3.606 -15.755 1.958 569 2HD ARG 67 HD1 ARG 67 -2.935 -17.379 2.101 570 HE ARG 67 HE ARG 67 -1.651 -15.967 4.104 571 1HH1 ARG 67 HH21 ARG 67 -4.917 -16.458 3.119 572 2HH1 ARG 67 HH22 ARG 67 -5.555 -16.354 4.726 573 1HH2 ARG 67 HH11 ARG 67 -2.460 -15.837 6.204 574 2HH2 ARG 67 HH12 ARG 67 -4.163 -16.003 6.473 575 H ASP 68 HN ASP 68 1.285 -18.583 2.065 576 HA ASP 68 HA ASP 68 2.804 -19.506 -0.214 577 1HB ASP 68 HB2 ASP 68 1.308 -20.979 1.971 578 2HB ASP 68 HB1 ASP 68 2.275 -21.791 0.740 579 H ASP 69 HN ASP 69 2.054 -20.820 -1.965 580 HA ASP 69 HA ASP 69 -0.607 -20.194 -2.899 581 1HB ASP 69 HB2 ASP 69 1.487 -22.150 -3.879 582 2HB ASP 69 HB1 ASP 69 -0.044 -21.874 -4.711 583 H LYS 70 HN LYS 70 0.703 -22.729 -0.939 584 HA LYS 70 HA LYS 70 -1.143 -24.820 -1.488 585 1HB LYS 70 HB2 LYS 70 0.297 -24.047 1.062 586 2HB LYS 70 HB1 LYS 70 -0.649 -25.527 0.895 587 1HG LYS 70 HG2 LYS 70 0.765 -26.224 -1.001 588 2HG LYS 70 HG1 LYS 70 1.717 -24.747 -0.836 589 1HD LYS 70 HD2 LYS 70 2.349 -25.411 1.456 590 2HD LYS 70 HD1 LYS 70 1.403 -26.890 1.288 591 1HE LYS 70 HE2 LYS 70 3.828 -27.261 0.848 592 2HE LYS 70 HE1 LYS 70 2.825 -27.635 -0.553 593 1HZ LYS 70 HZ1 LYS 70 4.327 -25.114 -0.093 594 2HZ LYS 70 HZ2 LYS 70 3.307 -25.413 -1.418 595 3HZ LYS 70 HZ3 LYS 70 4.724 -26.327 -1.210 596 H LYS 71 HN LYS 71 -1.394 -22.032 0.718 597 HA LYS 71 HA LYS 71 -4.000 -22.872 1.701 598 1HB LYS 71 HB2 LYS 71 -2.471 -21.589 3.124 599 2HB LYS 71 HB1 LYS 71 -2.492 -20.256 1.967 600 1HG LYS 71 HG2 LYS 71 -4.856 -19.901 2.335 601 2HG LYS 71 HG1 LYS 71 -4.953 -21.335 3.355 602 1HD LYS 71 HD2 LYS 71 -3.290 -20.246 4.908 603 2HD LYS 71 HD1 LYS 71 -3.433 -18.779 3.939 604 1HE LYS 71 HE2 LYS 71 -5.764 -18.554 4.467 605 2HE LYS 71 HE1 LYS 71 -5.818 -20.160 5.192 606 1HZ LYS 71 HZ1 LYS 71 -5.130 -17.708 6.394 607 2HZ LYS 71 HZ2 LYS 71 -3.794 -18.755 6.470 608 3HZ LYS 71 HZ3 LYS 71 -5.290 -19.236 7.115 609 HA PRO 72 HA PRO 72 -5.882 -20.809 -1.890 610 1HB PRO 72 HB2 PRO 72 -8.418 -21.645 -1.591 611 2HB PRO 72 HB1 PRO 72 -7.130 -22.790 -2.019 612 1HG PRO 72 HG2 PRO 72 -8.354 -22.252 0.657 613 2HG PRO 72 HG1 PRO 72 -8.000 -23.807 -0.118 614 1HD PRO 72 HD2 PRO 72 -6.335 -22.633 1.746 615 2HD PRO 72 HD1 PRO 72 -5.762 -23.745 0.482 616 H GLY 73 HN GLY 73 -8.545 -19.835 -1.765 617 1HA GLY 73 HA2 GLY 73 -9.812 -18.012 -1.017 618 2HA GLY 73 HA1 GLY 73 -9.046 -18.220 0.555 619 H LYS 74 HN LYS 74 -8.048 -16.399 1.166 620 HA LYS 74 HA LYS 74 -7.377 -14.241 -0.573 621 1HB LYS 74 HB2 LYS 74 -6.438 -14.945 2.220 622 2HB LYS 74 HB1 LYS 74 -6.071 -13.415 1.420 623 1HG LYS 74 HG2 LYS 74 -8.405 -12.853 1.245 624 2HG LYS 74 HG1 LYS 74 -8.892 -14.455 1.794 625 1HD LYS 74 HD2 LYS 74 -7.127 -12.784 3.568 626 2HD LYS 74 HD1 LYS 74 -8.848 -12.417 3.489 627 1HE LYS 74 HE2 LYS 74 -7.975 -15.263 3.930 628 2HE LYS 74 HE1 LYS 74 -7.965 -14.131 5.281 629 1HZ LYS 74 HZ1 LYS 74 -10.174 -14.126 5.381 630 2HZ LYS 74 HZ2 LYS 74 -10.117 -15.520 4.410 631 3HZ LYS 74 HZ3 LYS 74 -10.356 -13.995 3.699 632 H GLY 75 HN GLY 75 -5.437 -13.673 -1.556 633 1HA GLY 75 HA2 GLY 75 -3.017 -15.302 -1.065 634 2HA GLY 75 HA1 GLY 75 -3.696 -15.389 -2.688 635 H SER 76 HN SER 76 -3.642 -12.494 -0.622 636 HA SER 76 HA SER 76 -1.402 -11.349 -2.143 637 1HB SER 76 HB2 SER 76 -4.259 -10.469 -2.540 638 2HB SER 76 HB1 SER 76 -2.922 -9.352 -2.800 639 HG SER 76 HG SER 76 -3.485 -10.468 -4.711 640 H TYR 77 HN TYR 77 -0.356 -9.847 -0.921 641 HA TYR 77 HA TYR 77 -1.800 -8.559 1.357 642 1HB TYR 77 HB2 TYR 77 0.869 -9.985 1.424 643 2HB TYR 77 HB1 TYR 77 0.456 -8.754 2.607 644 HD1 TYR 77 HD1 TYR 77 -2.155 -9.119 3.523 645 HD2 TYR 77 HD2 TYR 77 0.557 -12.170 2.173 646 HE1 TYR 77 HE1 TYR 77 -3.363 -10.803 4.872 647 HE2 TYR 77 HE2 TYR 77 -0.644 -13.844 3.521 648 HH TYR 77 HH TYR 77 -2.532 -13.223 5.965 649 H TRP 78 HN TRP 78 -0.851 -6.501 1.973 650 HA TRP 78 HA TRP 78 0.970 -5.311 -0.098 651 1HB TRP 78 HB2 TRP 78 -1.486 -4.102 1.206 652 2HB TRP 78 HB1 TRP 78 -0.322 -3.181 0.252 653 HD1 TRP 78 HD1 TRP 78 -3.412 -5.138 -0.095 654 HE1 TRP 78 HE1 TRP 78 -3.884 -5.672 -2.571 655 HE3 TRP 78 HE3 TRP 78 1.114 -3.936 -2.143 656 HZ2 TRP 78 HZ2 TRP 78 -2.521 -5.608 -5.089 657 HZ3 TRP 78 HZ3 TRP 78 1.499 -4.197 -4.576 658 HH2 TRP 78 HH2 TRP 78 -0.311 -5.021 -6.050 659 H THR 79 HN THR 79 2.691 -4.194 0.754 660 HA THR 79 HA THR 79 2.589 -3.093 3.465 661 HB THR 79 HB THR 79 3.088 -5.545 3.794 662 HG1 THR 79 HG1 THR 79 4.995 -3.570 4.465 663 1HG2 THR 79 HG21 THR 79 5.778 -4.906 2.581 664 2HG2 THR 79 HG22 THR 79 4.479 -5.629 1.633 665 3HG2 THR 79 HG23 THR 79 5.129 -6.483 3.033 666 H LEU 80 HN LEU 80 4.688 -1.970 3.994 667 HA LEU 80 HA LEU 80 5.806 -0.765 1.524 668 1HB LEU 80 HB2 LEU 80 6.122 -0.056 4.457 669 2HB LEU 80 HB1 LEU 80 6.852 0.846 3.132 670 HG LEU 80 HG LEU 80 3.874 0.355 3.412 671 1HD1 LEU 80 HD11 LEU 80 5.621 2.666 4.276 672 2HD1 LEU 80 HD12 LEU 80 4.475 1.746 5.250 673 3HD1 LEU 80 HD13 LEU 80 3.887 2.848 4.006 674 1HD2 LEU 80 HD21 LEU 80 4.203 0.857 1.157 675 2HD2 LEU 80 HD22 LEU 80 5.607 1.876 1.473 676 3HD2 LEU 80 HD23 LEU 80 3.986 2.472 1.823 677 H ASP 81 HN ASP 81 7.697 -1.515 0.714 678 HA ASP 81 HA ASP 81 9.925 -2.149 2.450 679 1HB ASP 81 HB2 ASP 81 8.228 -4.322 1.304 680 2HB ASP 81 HB1 ASP 81 9.973 -4.583 1.282 681 HA PRO 82 HA PRO 82 11.933 -1.198 -1.410 682 1HB PRO 82 HB2 PRO 82 14.456 -1.995 -0.958 683 2HB PRO 82 HB1 PRO 82 13.724 -0.717 0.037 684 1HG PRO 82 HG2 PRO 82 14.056 -3.627 0.656 685 2HG PRO 82 HG1 PRO 82 14.393 -2.221 1.683 686 1HD PRO 82 HD2 PRO 82 12.057 -3.683 1.846 687 2HD PRO 82 HD1 PRO 82 12.176 -1.965 2.291 688 H ASP 83 HN ASP 83 13.967 -2.606 -2.732 689 HA ASP 83 HA ASP 83 12.462 -4.840 -3.874 690 1HB ASP 83 HB2 ASP 83 15.265 -3.789 -4.390 691 2HB ASP 83 HB1 ASP 83 14.530 -5.113 -5.293 692 H SER 84 HN SER 84 12.598 -5.603 -1.394 693 HA SER 84 HA SER 84 15.075 -7.021 -0.731 694 1HB SER 84 HB2 SER 84 13.625 -7.845 1.219 695 2HB SER 84 HB1 SER 84 13.916 -6.110 1.132 696 HG SER 84 HG SER 84 11.790 -6.125 1.276 697 H TYR 85 HN TYR 85 14.222 -8.003 -3.144 698 HA TYR 85 HA TYR 85 12.470 -10.276 -2.893 699 1HB TYR 85 HB2 TYR 85 13.396 -8.916 -5.010 700 2HB TYR 85 HB1 TYR 85 14.589 -10.208 -5.020 701 HD1 TYR 85 HD1 TYR 85 13.321 -12.636 -4.391 702 HD2 TYR 85 HD2 TYR 85 11.634 -9.286 -6.492 703 HE1 TYR 85 HE1 TYR 85 11.680 -14.140 -5.475 704 HE2 TYR 85 HE2 TYR 85 9.996 -10.796 -7.575 705 HH TYR 85 HH TYR 85 8.954 -13.220 -6.823 706 H ASN 86 HN ASN 86 16.036 -10.124 -3.294 707 HA ASN 86 HA ASN 86 16.206 -12.839 -2.040 708 1HB ASN 86 HB2 ASN 86 18.093 -11.364 -3.887 709 2HB ASN 86 HB1 ASN 86 18.473 -12.903 -3.113 710 1HD2 ASN 86 HD21 ASN 86 16.533 -14.603 -3.457 711 2HD2 ASN 86 HD22 ASN 86 15.942 -14.688 -5.045 712 H MET 87 HN MET 87 16.169 -10.008 -0.752 713 HA MET 87 HA MET 87 18.815 -9.671 0.352 714 1HB MET 87 HB2 MET 87 16.097 -8.630 1.160 715 2HB MET 87 HB1 MET 87 17.531 -8.300 2.132 716 1HG MET 87 HG2 MET 87 17.324 -7.677 -0.827 717 2HG MET 87 HG1 MET 87 17.001 -6.503 0.448 718 1HE MET 87 HE1 MET 87 19.656 -7.775 -1.925 719 2HE MET 87 HE2 MET 87 20.668 -6.384 -1.540 720 3HE MET 87 HE3 MET 87 18.948 -6.155 -1.853 721 H PHE 88 HN PHE 88 16.909 -12.211 0.639 722 HA PHE 88 HA PHE 88 16.662 -12.751 3.428 723 1HB PHE 88 HB2 PHE 88 17.000 -14.547 1.014 724 2HB PHE 88 HB1 PHE 88 16.809 -15.200 2.640 725 HD1 PHE 88 HD1 PHE 88 15.211 -13.048 0.066 726 HD2 PHE 88 HD2 PHE 88 14.673 -15.267 3.704 727 HE1 PHE 88 HE1 PHE 88 12.757 -12.756 -0.121 728 HE2 PHE 88 HE2 PHE 88 12.218 -14.972 3.520 729 HZ PHE 88 HZ PHE 88 11.259 -13.717 1.606 730 H GLU 89 HN GLU 89 19.317 -13.298 1.142 731 HA GLU 89 HA GLU 89 21.062 -14.241 3.374 732 1HB GLU 89 HB2 GLU 89 21.669 -14.211 0.405 733 2HB GLU 89 HB1 GLU 89 22.510 -15.108 1.666 734 1HG GLU 89 HG2 GLU 89 21.111 -16.738 0.699 735 2HG GLU 89 HG1 GLU 89 20.211 -16.227 2.124 736 H ASN 90 HN ASN 90 22.842 -13.043 3.989 737 HA ASN 90 HA ASN 90 23.415 -10.505 2.497 738 1HB ASN 90 HB2 ASN 90 23.260 -10.895 5.501 739 2HB ASN 90 HB1 ASN 90 23.825 -9.427 4.700 740 1HD2 ASN 90 HD21 ASN 90 22.006 -9.079 2.639 741 2HD2 ASN 90 HD22 ASN 90 20.434 -8.902 3.256 742 H GLY 91 HN GLY 91 25.605 -9.824 2.596 743 1HA GLY 91 HA2 GLY 91 27.932 -10.068 3.095 744 2HA GLY 91 HA1 GLY 91 27.581 -11.597 3.906 745 H SER 92 HN SER 92 25.816 -12.068 1.349 746 HA SER 92 HA SER 92 27.841 -13.641 -0.045 747 1HB SER 92 HB2 SER 92 26.052 -14.614 -1.190 748 2HB SER 92 HB1 SER 92 25.260 -14.103 0.299 749 HG SER 92 HG SER 92 24.932 -13.224 -2.268 750 H PHE 93 HN PHE 93 26.501 -10.476 -0.319 751 HA PHE 93 HA PHE 93 28.032 -10.052 -2.853 752 1HB PHE 93 HB2 PHE 93 26.221 -8.680 -3.741 753 2HB PHE 93 HB1 PHE 93 25.594 -10.282 -3.360 754 HD1 PHE 93 HD1 PHE 93 25.637 -6.734 -2.372 755 HD2 PHE 93 HD2 PHE 93 24.090 -10.640 -1.473 756 HE1 PHE 93 HE1 PHE 93 23.942 -5.719 -0.873 757 HE2 PHE 93 HE2 PHE 93 22.397 -9.624 0.029 758 HZ PHE 93 HZ PHE 93 22.324 -7.163 0.328 759 H LEU 94 HN LEU 94 29.007 -8.025 -2.995 760 HA LEU 94 HA LEU 94 28.829 -6.278 -0.554 761 1HB LEU 94 HB2 LEU 94 31.182 -6.720 -2.423 762 2HB LEU 94 HB1 LEU 94 31.168 -5.661 -1.013 763 HG LEU 94 HG LEU 94 30.742 -8.664 -0.949 764 1HD1 LEU 94 HD11 LEU 94 33.128 -6.897 -0.383 765 2HD1 LEU 94 HD12 LEU 94 33.035 -8.310 -1.434 766 3HD1 LEU 94 HD13 LEU 94 32.984 -8.510 0.317 767 1HD2 LEU 94 HD21 LEU 94 31.218 -8.116 1.586 768 2HD2 LEU 94 HD22 LEU 94 29.601 -7.865 0.938 769 3HD2 LEU 94 HD23 LEU 94 30.690 -6.492 1.144 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -22.337 19.881 1.926 2 2H MET 1 HT2 MET 1 -23.550 19.431 0.825 3 3H MET 1 HT3 MET 1 -21.913 19.270 0.400 4 HA MET 1 HA MET 1 -23.142 17.804 2.665 5 1HB MET 1 HB2 MET 1 -23.216 15.860 1.128 6 2HB MET 1 HB1 MET 1 -24.273 17.160 0.574 7 1HG MET 1 HG2 MET 1 -22.388 17.946 -0.911 8 2HG MET 1 HG1 MET 1 -21.508 16.484 -0.465 9 1HE MET 1 HE1 MET 1 -24.792 17.919 -1.582 10 2HE MET 1 HE2 MET 1 -25.304 16.938 -2.952 11 3HE MET 1 HE3 MET 1 -23.886 17.972 -3.099 12 H LEU 2 HN LEU 2 -21.650 15.462 1.932 13 HA LEU 2 HA LEU 2 -19.036 16.229 3.001 14 1HB LEU 2 HB2 LEU 2 -20.062 13.541 2.033 15 2HB LEU 2 HB1 LEU 2 -18.569 13.801 2.932 16 HG LEU 2 HG LEU 2 -21.332 14.527 3.954 17 1HD1 LEU 2 HD11 LEU 2 -20.926 12.547 5.485 18 2HD1 LEU 2 HD12 LEU 2 -19.570 12.112 4.443 19 3HD1 LEU 2 HD13 LEU 2 -21.211 12.130 3.796 20 1HD2 LEU 2 HD21 LEU 2 -19.924 14.453 6.169 21 2HD2 LEU 2 HD22 LEU 2 -19.817 15.878 5.143 22 3HD2 LEU 2 HD23 LEU 2 -18.540 14.663 5.096 23 H VAL 3 HN VAL 3 -17.018 15.785 1.892 24 HA VAL 3 HA VAL 3 -17.236 15.616 -1.094 25 HB VAL 3 HB VAL 3 -15.435 17.291 -1.253 26 1HG1 VAL 3 HG11 VAL 3 -17.815 18.146 0.423 27 2HG1 VAL 3 HG12 VAL 3 -17.736 18.098 -1.338 28 3HG1 VAL 3 HG13 VAL 3 -16.751 19.256 -0.443 29 1HG2 VAL 3 HG21 VAL 3 -14.308 16.878 0.874 30 2HG2 VAL 3 HG22 VAL 3 -15.739 17.392 1.766 31 3HG2 VAL 3 HG23 VAL 3 -14.824 18.564 0.818 32 H LYS 4 HN LYS 4 -15.223 14.811 -2.107 33 HA LYS 4 HA LYS 4 -14.212 12.501 -0.823 34 1HB LYS 4 HB2 LYS 4 -12.324 12.781 -2.616 35 2HB LYS 4 HB1 LYS 4 -13.976 12.481 -3.147 36 1HG LYS 4 HG2 LYS 4 -14.319 14.706 -3.803 37 2HG LYS 4 HG1 LYS 4 -13.009 15.314 -2.792 38 1HD LYS 4 HD2 LYS 4 -11.340 14.417 -4.252 39 2HD LYS 4 HD1 LYS 4 -12.531 13.468 -5.140 40 1HE LYS 4 HE2 LYS 4 -11.942 15.447 -6.442 41 2HE LYS 4 HE1 LYS 4 -13.610 15.588 -5.888 42 1HZ LYS 4 HZ1 LYS 4 -12.717 17.632 -5.361 43 2HZ LYS 4 HZ2 LYS 4 -11.209 16.988 -4.915 44 3HZ LYS 4 HZ3 LYS 4 -12.554 16.794 -3.896 45 HA PRO 5 HA PRO 5 -11.538 14.487 2.267 46 1HB PRO 5 HB2 PRO 5 -10.055 11.911 1.777 47 2HB PRO 5 HB1 PRO 5 -10.395 12.728 3.319 48 1HG PRO 5 HG2 PRO 5 -11.845 10.650 2.548 49 2HG PRO 5 HG1 PRO 5 -12.608 12.041 3.338 50 1HD PRO 5 HD2 PRO 5 -12.725 11.217 0.471 51 2HD PRO 5 HD1 PRO 5 -13.909 12.128 1.433 52 HA PRO 6 HA PRO 6 -8.301 16.105 -0.340 53 1HB PRO 6 HB2 PRO 6 -6.510 17.017 1.499 54 2HB PRO 6 HB1 PRO 6 -8.094 17.782 1.256 55 1HG PRO 6 HG2 PRO 6 -7.250 15.827 3.355 56 2HG PRO 6 HG1 PRO 6 -8.208 17.310 3.523 57 1HD PRO 6 HD2 PRO 6 -9.359 14.833 3.414 58 2HD PRO 6 HD1 PRO 6 -10.166 16.291 2.791 59 H TYR 7 HN TYR 7 -7.923 13.263 1.340 60 HA TYR 7 HA TYR 7 -5.040 12.918 0.983 61 1HB TYR 7 HB2 TYR 7 -7.139 10.799 1.523 62 2HB TYR 7 HB1 TYR 7 -5.406 10.679 1.823 63 HD1 TYR 7 HD1 TYR 7 -4.442 12.741 3.288 64 HD2 TYR 7 HD2 TYR 7 -8.484 11.291 3.371 65 HE1 TYR 7 HE1 TYR 7 -4.757 13.740 5.537 66 HE2 TYR 7 HE2 TYR 7 -8.802 12.294 5.610 67 HH TYR 7 HH TYR 7 -7.691 13.165 7.408 68 H SER 8 HN SER 8 -4.054 12.055 -0.804 69 HA SER 8 HA SER 8 -5.574 11.671 -3.232 70 1HB SER 8 HB2 SER 8 -2.700 11.039 -2.504 71 2HB SER 8 HB1 SER 8 -3.363 10.793 -4.116 72 HG SER 8 HG SER 8 -3.960 13.247 -3.093 73 H TYR 9 HN TYR 9 -5.412 9.521 -4.474 74 HA TYR 9 HA TYR 9 -6.636 7.441 -2.962 75 1HB TYR 9 HB2 TYR 9 -5.202 7.401 -5.630 76 2HB TYR 9 HB1 TYR 9 -6.019 5.991 -4.962 77 HD1 TYR 9 HD1 TYR 9 -6.421 9.058 -6.795 78 HD2 TYR 9 HD2 TYR 9 -8.508 6.218 -4.336 79 HE1 TYR 9 HE1 TYR 9 -8.586 9.883 -7.679 80 HE2 TYR 9 HE2 TYR 9 -10.673 7.047 -5.218 81 HH TYR 9 HH TYR 9 -11.103 9.874 -6.682 82 H ILE 10 HN ILE 10 -3.273 7.963 -3.940 83 HA ILE 10 HA ILE 10 -2.249 5.471 -2.970 84 HB ILE 10 HB ILE 10 -0.952 8.168 -3.443 85 1HG1 ILE 10 HG12 ILE 10 -0.767 5.573 -4.995 86 2HG1 ILE 10 HG11 ILE 10 -1.925 6.846 -5.378 87 1HG2 ILE 10 HG21 ILE 10 0.267 5.500 -2.689 88 2HG2 ILE 10 HG22 ILE 10 0.456 7.040 -1.851 89 3HG2 ILE 10 HG23 ILE 10 1.192 6.801 -3.434 90 1HD1 ILE 10 HD11 ILE 10 0.163 6.992 -6.745 91 2HD1 ILE 10 HD12 ILE 10 1.078 7.246 -5.259 92 3HD1 ILE 10 HD13 ILE 10 -0.120 8.434 -5.770 93 H ALA 11 HN ALA 11 -2.591 8.665 -1.429 94 HA ALA 11 HA ALA 11 -1.228 7.992 0.998 95 1HB ALA 11 HB1 ALA 11 -1.758 10.320 0.341 96 2HB ALA 11 HB2 ALA 11 -2.388 9.951 1.947 97 3HB ALA 11 HB3 ALA 11 -3.477 9.987 0.560 98 H LEU 12 HN LEU 12 -4.648 7.682 0.055 99 HA LEU 12 HA LEU 12 -5.655 6.937 2.611 100 1HB LEU 12 HB2 LEU 12 -6.533 6.149 -0.177 101 2HB LEU 12 HB1 LEU 12 -7.453 5.763 1.274 102 HG LEU 12 HG LEU 12 -6.642 8.584 0.501 103 1HD1 LEU 12 HD11 LEU 12 -8.186 7.480 -1.162 104 2HD1 LEU 12 HD12 LEU 12 -8.880 8.890 -0.363 105 3HD1 LEU 12 HD13 LEU 12 -9.351 7.269 0.145 106 1HD2 LEU 12 HD21 LEU 12 -8.324 7.365 2.687 107 2HD2 LEU 12 HD22 LEU 12 -8.732 8.969 2.083 108 3HD2 LEU 12 HD23 LEU 12 -7.146 8.673 2.782 109 H ILE 13 HN ILE 13 -4.175 5.003 0.036 110 HA ILE 13 HA ILE 13 -4.563 2.465 1.364 111 HB ILE 13 HB ILE 13 -2.502 3.299 -0.697 112 1HG1 ILE 13 HG12 ILE 13 -5.130 1.843 -1.102 113 2HG1 ILE 13 HG11 ILE 13 -4.948 3.585 -1.320 114 1HG2 ILE 13 HG21 ILE 13 -1.808 1.250 0.365 115 2HG2 ILE 13 HG22 ILE 13 -2.519 0.814 -1.189 116 3HG2 ILE 13 HG23 ILE 13 -3.445 0.596 0.297 117 1HD1 ILE 13 HD11 ILE 13 -4.690 2.148 -3.429 118 2HD1 ILE 13 HD12 ILE 13 -3.168 1.596 -2.736 119 3HD1 ILE 13 HD13 ILE 13 -3.399 3.303 -3.107 120 H THR 14 HN THR 14 -1.920 4.842 1.280 121 HA THR 14 HA THR 14 -0.034 3.280 2.747 122 HB THR 14 HB THR 14 -0.321 6.293 2.623 123 HG1 THR 14 HG1 THR 14 0.755 6.156 0.791 124 1HG2 THR 14 HG21 THR 14 2.036 4.523 3.335 125 2HG2 THR 14 HG22 THR 14 1.154 5.566 4.451 126 3HG2 THR 14 HG23 THR 14 2.102 6.274 3.146 127 H MET 15 HN MET 15 -2.530 5.585 3.812 128 HA MET 15 HA MET 15 -1.789 5.439 6.603 129 1HB MET 15 HB2 MET 15 -4.348 6.304 5.234 130 2HB MET 15 HB1 MET 15 -4.105 6.397 6.977 131 1HG MET 15 HG2 MET 15 -2.016 7.761 6.511 132 2HG MET 15 HG1 MET 15 -2.523 7.822 4.824 133 1HE MET 15 HE1 MET 15 -5.695 9.750 4.690 134 2HE MET 15 HE2 MET 15 -5.872 8.072 5.197 135 3HE MET 15 HE3 MET 15 -4.641 8.502 4.012 136 H ALA 16 HN ALA 16 -4.049 3.671 4.554 137 HA ALA 16 HA ALA 16 -5.460 2.253 6.559 138 1HB ALA 16 HB1 ALA 16 -6.302 2.028 4.369 139 2HB ALA 16 HB2 ALA 16 -5.583 0.447 4.673 140 3HB ALA 16 HB3 ALA 16 -4.716 1.639 3.703 141 H ILE 17 HN ILE 17 -2.432 1.393 4.868 142 HA ILE 17 HA ILE 17 -1.984 -1.095 6.185 143 HB ILE 17 HB ILE 17 0.046 0.940 5.197 144 1HG1 ILE 17 HG12 ILE 17 -1.085 -1.487 3.783 145 2HG1 ILE 17 HG11 ILE 17 -1.718 0.144 3.564 146 1HG2 ILE 17 HG21 ILE 17 0.219 -1.981 5.957 147 2HG2 ILE 17 HG22 ILE 17 1.222 -0.647 6.529 148 3HG2 ILE 17 HG23 ILE 17 1.394 -1.236 4.875 149 1HD1 ILE 17 HD11 ILE 17 0.462 0.924 2.777 150 2HD1 ILE 17 HD12 ILE 17 -0.054 -0.460 1.812 151 3HD1 ILE 17 HD13 ILE 17 1.162 -0.668 3.073 152 H GLN 18 HN GLN 18 -0.801 2.165 6.938 153 HA GLN 18 HA GLN 18 0.578 1.497 9.343 154 1HB GLN 18 HB2 GLN 18 -0.741 4.073 8.446 155 2HB GLN 18 HB1 GLN 18 0.288 3.946 9.873 156 1HG GLN 18 HG2 GLN 18 1.188 3.102 7.110 157 2HG GLN 18 HG1 GLN 18 1.474 4.714 7.764 158 1HE2 GLN 18 HE21 GLN 18 2.211 4.266 10.375 159 2HE2 GLN 18 HE22 GLN 18 3.586 3.274 10.455 160 H ASN 19 HN ASN 19 -2.794 2.474 8.772 161 HA ASN 19 HA ASN 19 -3.442 2.463 11.619 162 1HB ASN 19 HB2 ASN 19 -5.167 2.614 9.132 163 2HB ASN 19 HB1 ASN 19 -5.795 2.741 10.775 164 1HD2 ASN 19 HD21 ASN 19 -4.794 4.635 8.218 165 2HD2 ASN 19 HD22 ASN 19 -4.327 6.027 9.071 166 H ALA 20 HN ALA 20 -3.066 0.033 9.282 167 HA ALA 20 HA ALA 20 -5.161 -1.739 10.248 168 1HB ALA 20 HB1 ALA 20 -4.188 -1.856 7.940 169 2HB ALA 20 HB2 ALA 20 -4.155 -3.400 8.791 170 3HB ALA 20 HB3 ALA 20 -2.683 -2.438 8.653 171 HA PRO 21 HA PRO 21 -3.052 -3.063 14.026 172 1HB PRO 21 HB2 PRO 21 -4.141 -5.737 13.169 173 2HB PRO 21 HB1 PRO 21 -4.173 -4.973 14.771 174 1HG PRO 21 HG2 PRO 21 -6.332 -5.001 13.208 175 2HG PRO 21 HG1 PRO 21 -5.950 -3.609 14.234 176 1HD PRO 21 HD2 PRO 21 -5.755 -3.857 11.273 177 2HD PRO 21 HD1 PRO 21 -5.969 -2.404 12.275 178 H GLU 22 HN GLU 22 -2.869 -4.980 11.058 179 HA GLU 22 HA GLU 22 0.017 -5.580 11.631 180 1HB GLU 22 HB2 GLU 22 -2.024 -7.202 10.071 181 2HB GLU 22 HB1 GLU 22 -0.310 -7.599 10.211 182 1HG GLU 22 HG2 GLU 22 -2.160 -7.285 12.590 183 2HG GLU 22 HG1 GLU 22 -1.782 -8.838 11.842 184 H LYS 23 HN LYS 23 1.431 -4.868 10.048 185 HA LYS 23 HA LYS 23 0.545 -3.027 8.072 186 1HB LYS 23 HB2 LYS 23 3.133 -4.575 8.310 187 2HB LYS 23 HB1 LYS 23 2.858 -3.334 7.087 188 1HG LYS 23 HG2 LYS 23 2.267 -1.740 8.960 189 2HG LYS 23 HG1 LYS 23 2.803 -2.978 10.097 190 1HD LYS 23 HD2 LYS 23 5.023 -3.000 8.895 191 2HD LYS 23 HD1 LYS 23 4.461 -1.606 7.968 192 1HE LYS 23 HE2 LYS 23 4.188 -0.301 10.007 193 2HE LYS 23 HE1 LYS 23 4.603 -1.702 10.996 194 1HZ LYS 23 HZ1 LYS 23 6.454 -0.687 8.933 195 2HZ LYS 23 HZ2 LYS 23 6.795 -1.656 10.286 196 3HZ LYS 23 HZ3 LYS 23 6.426 -0.011 10.488 197 H LYS 24 HN LYS 24 1.089 -6.524 7.878 198 HA LYS 24 HA LYS 24 0.745 -6.555 4.972 199 1HB LYS 24 HB2 LYS 24 0.609 -8.806 7.010 200 2HB LYS 24 HB1 LYS 24 0.666 -9.019 5.258 201 1HG LYS 24 HG2 LYS 24 2.851 -7.876 5.186 202 2HG LYS 24 HG1 LYS 24 2.802 -7.662 6.936 203 1HD LYS 24 HD2 LYS 24 2.731 -10.116 7.228 204 2HD LYS 24 HD1 LYS 24 2.799 -10.319 5.477 205 1HE LYS 24 HE2 LYS 24 4.908 -8.788 7.011 206 2HE LYS 24 HE1 LYS 24 5.032 -10.520 6.707 207 1HZ LYS 24 HZ1 LYS 24 5.189 -10.196 4.437 208 2HZ LYS 24 HZ2 LYS 24 6.098 -8.900 5.053 209 3HZ LYS 24 HZ3 LYS 24 4.515 -8.640 4.495 210 H ILE 25 HN ILE 25 -1.204 -6.086 4.125 211 HA ILE 25 HA ILE 25 -3.668 -7.172 5.447 212 HB ILE 25 HB ILE 25 -3.487 -4.749 5.869 213 1HG1 ILE 25 HG12 ILE 25 -5.543 -5.250 3.701 214 2HG1 ILE 25 HG11 ILE 25 -5.707 -5.877 5.342 215 1HG2 ILE 25 HG21 ILE 25 -3.328 -3.154 4.092 216 2HG2 ILE 25 HG22 ILE 25 -3.575 -4.397 2.864 217 3HG2 ILE 25 HG23 ILE 25 -2.071 -4.354 3.786 218 1HD1 ILE 25 HD11 ILE 25 -6.908 -3.774 5.208 219 2HD1 ILE 25 HD12 ILE 25 -5.496 -2.966 4.526 220 3HD1 ILE 25 HD13 ILE 25 -5.468 -3.529 6.198 221 H THR 26 HN THR 26 -5.460 -7.489 3.921 222 HA THR 26 HA THR 26 -4.454 -8.458 1.318 223 HB THR 26 HB THR 26 -6.540 -9.638 1.159 224 HG1 THR 26 HG1 THR 26 -8.094 -9.182 2.941 225 1HG2 THR 26 HG21 THR 26 -6.550 -10.906 3.237 226 2HG2 THR 26 HG22 THR 26 -5.746 -9.585 4.084 227 3HG2 THR 26 HG23 THR 26 -4.886 -10.485 2.835 228 H LEU 27 HN LEU 27 -5.807 -8.064 -0.621 229 HA LEU 27 HA LEU 27 -6.054 -5.299 -1.261 230 1HB LEU 27 HB2 LEU 27 -5.794 -7.287 -2.833 231 2HB LEU 27 HB1 LEU 27 -7.494 -7.635 -2.552 232 HG LEU 27 HG LEU 27 -7.904 -5.177 -3.303 233 1HD1 LEU 27 HD11 LEU 27 -5.102 -5.135 -3.388 234 2HD1 LEU 27 HD12 LEU 27 -6.189 -3.947 -4.089 235 3HD1 LEU 27 HD13 LEU 27 -5.578 -5.267 -5.080 236 1HD2 LEU 27 HD21 LEU 27 -7.069 -7.472 -5.088 237 2HD2 LEU 27 HD22 LEU 27 -7.704 -5.975 -5.760 238 3HD2 LEU 27 HD23 LEU 27 -8.698 -6.941 -4.675 239 H ASN 28 HN ASN 28 -8.521 -7.758 -0.590 240 HA ASN 28 HA ASN 28 -10.811 -6.069 -0.715 241 1HB ASN 28 HB2 ASN 28 -10.275 -8.643 0.791 242 2HB ASN 28 HB1 ASN 28 -11.864 -7.884 0.702 243 1HD2 ASN 28 HD21 ASN 28 -10.905 -10.504 -0.490 244 2HD2 ASN 28 HD22 ASN 28 -11.245 -10.381 -2.147 245 H GLY 29 HN GLY 29 -8.693 -6.955 2.005 246 1HA GLY 29 HA2 GLY 29 -10.227 -5.781 4.083 247 2HA GLY 29 HA1 GLY 29 -8.481 -6.011 4.139 248 H ILE 30 HN ILE 30 -7.784 -4.324 1.937 249 HA ILE 30 HA ILE 30 -7.641 -1.809 3.256 250 HB ILE 30 HB ILE 30 -7.242 -2.568 0.352 251 1HG1 ILE 30 HG12 ILE 30 -5.232 -1.765 2.473 252 2HG1 ILE 30 HG11 ILE 30 -5.713 -3.440 2.210 253 1HG2 ILE 30 HG21 ILE 30 -6.910 0.081 1.774 254 2HG2 ILE 30 HG22 ILE 30 -7.734 -0.246 0.248 255 3HG2 ILE 30 HG23 ILE 30 -5.974 -0.315 0.332 256 1HD1 ILE 30 HD11 ILE 30 -4.739 -3.525 0.084 257 2HD1 ILE 30 HD12 ILE 30 -3.599 -2.519 0.978 258 3HD1 ILE 30 HD13 ILE 30 -4.767 -1.771 -0.111 259 H TYR 31 HN TYR 31 -9.881 -2.958 0.716 260 HA TYR 31 HA TYR 31 -11.225 -0.470 0.330 261 1HB TYR 31 HB2 TYR 31 -12.066 -3.349 0.008 262 2HB TYR 31 HB1 TYR 31 -13.229 -2.052 -0.240 263 HD1 TYR 31 HD1 TYR 31 -10.718 -4.018 -1.812 264 HD2 TYR 31 HD2 TYR 31 -12.440 -0.094 -1.766 265 HE1 TYR 31 HE1 TYR 31 -9.879 -3.620 -4.109 266 HE2 TYR 31 HE2 TYR 31 -11.601 0.310 -4.056 267 HH TYR 31 HH TYR 31 -10.649 -0.595 -5.837 268 H GLN 32 HN GLN 32 -11.783 -3.067 2.697 269 HA GLN 32 HA GLN 32 -14.177 -2.033 3.823 270 1HB GLN 32 HB2 GLN 32 -13.317 -4.290 4.306 271 2HB GLN 32 HB1 GLN 32 -11.953 -3.592 5.175 272 1HG GLN 32 HG2 GLN 32 -13.508 -2.559 6.795 273 2HG GLN 32 HG1 GLN 32 -14.875 -3.252 5.921 274 1HE2 GLN 32 HE21 GLN 32 -13.011 -5.716 5.406 275 2HE2 GLN 32 HE22 GLN 32 -13.127 -6.593 6.856 276 H PHE 33 HN PHE 33 -10.782 -1.371 4.638 277 HA PHE 33 HA PHE 33 -11.258 0.249 6.917 278 1HB PHE 33 HB2 PHE 33 -9.032 -0.600 6.269 279 2HB PHE 33 HB1 PHE 33 -9.028 0.481 4.877 280 HD1 PHE 33 HD1 PHE 33 -8.800 0.257 8.539 281 HD2 PHE 33 HD2 PHE 33 -8.778 2.905 5.158 282 HE1 PHE 33 HE1 PHE 33 -7.909 2.075 9.971 283 HE2 PHE 33 HE2 PHE 33 -7.889 4.725 6.590 284 HZ PHE 33 HZ PHE 33 -7.457 4.310 8.996 285 H ILE 34 HN ILE 34 -10.866 1.249 3.498 286 HA ILE 34 HA ILE 34 -11.164 4.030 3.948 287 HB ILE 34 HB ILE 34 -11.877 2.357 1.528 288 1HG1 ILE 34 HG12 ILE 34 -9.459 4.104 2.047 289 2HG1 ILE 34 HG11 ILE 34 -9.485 2.381 2.425 290 1HG2 ILE 34 HG21 ILE 34 -11.619 5.357 1.898 291 2HG2 ILE 34 HG22 ILE 34 -13.030 4.472 1.315 292 3HG2 ILE 34 HG23 ILE 34 -11.578 4.567 0.321 293 1HD1 ILE 34 HD11 ILE 34 -8.524 2.954 0.152 294 2HD1 ILE 34 HD12 ILE 34 -10.140 3.486 -0.316 295 3HD1 ILE 34 HD13 ILE 34 -9.859 1.800 0.122 296 H MET 35 HN MET 35 -13.724 1.670 3.012 297 HA MET 35 HA MET 35 -15.833 3.583 2.993 298 1HB MET 35 HB2 MET 35 -15.863 0.610 3.544 299 2HB MET 35 HB1 MET 35 -17.329 1.584 3.405 300 1HG MET 35 HG2 MET 35 -16.587 2.326 1.148 301 2HG MET 35 HG1 MET 35 -15.183 1.272 1.291 302 1HE MET 35 HE1 MET 35 -15.044 -1.031 0.967 303 2HE MET 35 HE2 MET 35 -16.342 -2.220 0.900 304 3HE MET 35 HE3 MET 35 -15.953 -1.437 2.428 305 H ASP 36 HN ASP 36 -14.789 1.409 5.646 306 HA ASP 36 HA ASP 36 -16.674 2.506 7.531 307 1HB ASP 36 HB2 ASP 36 -14.099 0.951 7.889 308 2HB ASP 36 HB1 ASP 36 -15.153 1.399 9.231 309 H ARG 37 HN ARG 37 -13.274 3.203 6.784 310 HA ARG 37 HA ARG 37 -12.871 5.093 8.903 311 1HB ARG 37 HB2 ARG 37 -11.013 4.051 7.658 312 2HB ARG 37 HB1 ARG 37 -11.520 4.889 6.194 313 1HG ARG 37 HG2 ARG 37 -9.665 6.095 7.230 314 2HG ARG 37 HG1 ARG 37 -11.125 7.070 7.339 315 1HD ARG 37 HD2 ARG 37 -11.359 6.692 9.640 316 2HD ARG 37 HD1 ARG 37 -10.391 5.217 9.599 317 HE ARG 37 HE ARG 37 -8.616 7.219 8.855 318 1HH1 ARG 37 HH21 ARG 37 -10.782 6.614 11.470 319 2HH1 ARG 37 HH22 ARG 37 -9.830 7.478 12.631 320 1HH2 ARG 37 HH11 ARG 37 -7.359 8.343 10.357 321 2HH2 ARG 37 HH12 ARG 37 -7.897 8.462 11.999 322 H PHE 38 HN PHE 38 -13.687 5.554 5.450 323 HA PHE 38 HA PHE 38 -14.661 8.307 6.123 324 1HB PHE 38 HB2 PHE 38 -13.453 7.247 3.554 325 2HB PHE 38 HB1 PHE 38 -14.192 8.839 3.723 326 HD1 PHE 38 HD1 PHE 38 -13.239 10.482 5.384 327 HD2 PHE 38 HD2 PHE 38 -11.241 6.824 4.348 328 HE1 PHE 38 HE1 PHE 38 -11.120 11.378 6.309 329 HE2 PHE 38 HE2 PHE 38 -9.121 7.721 5.270 330 HZ PHE 38 HZ PHE 38 -9.060 9.998 6.251 331 HA PRO 39 HA PRO 39 -18.465 6.278 4.668 332 1HB PRO 39 HB2 PRO 39 -20.254 8.161 5.418 333 2HB PRO 39 HB1 PRO 39 -19.438 7.124 6.607 334 1HG PRO 39 HG2 PRO 39 -18.835 9.945 5.834 335 2HG PRO 39 HG1 PRO 39 -18.861 9.202 7.443 336 1HD PRO 39 HD2 PRO 39 -16.547 9.638 5.993 337 2HD PRO 39 HD1 PRO 39 -16.710 8.381 7.239 338 H PHE 40 HN PHE 40 -17.007 9.099 3.496 339 HA PHE 40 HA PHE 40 -18.949 10.140 1.700 340 1HB PHE 40 HB2 PHE 40 -17.041 11.476 1.980 341 2HB PHE 40 HB1 PHE 40 -15.940 10.116 1.777 342 HD1 PHE 40 HD1 PHE 40 -14.942 9.711 -0.310 343 HD2 PHE 40 HD2 PHE 40 -18.484 12.142 -0.094 344 HE1 PHE 40 HE1 PHE 40 -14.750 10.216 -2.733 345 HE2 PHE 40 HE2 PHE 40 -18.283 12.651 -2.513 346 HZ PHE 40 HZ PHE 40 -16.418 11.685 -3.832 347 H TYR 41 HN TYR 41 -16.596 7.514 1.289 348 HA TYR 41 HA TYR 41 -17.113 7.075 -1.489 349 1HB TYR 41 HB2 TYR 41 -16.011 5.264 0.671 350 2HB TYR 41 HB1 TYR 41 -16.013 4.860 -1.051 351 HD1 TYR 41 HD1 TYR 41 -14.635 6.085 -2.638 352 HD2 TYR 41 HD2 TYR 41 -14.646 7.109 1.526 353 HE1 TYR 41 HE1 TYR 41 -12.635 7.496 -2.990 354 HE2 TYR 41 HE2 TYR 41 -12.649 8.529 1.185 355 HH TYR 41 HH TYR 41 -10.932 8.576 -1.899 356 H ARG 42 HN ARG 42 -18.779 5.993 1.399 357 HA ARG 42 HA ARG 42 -20.167 3.777 0.309 358 1HB ARG 42 HB2 ARG 42 -20.998 5.799 2.405 359 2HB ARG 42 HB1 ARG 42 -21.940 4.358 2.024 360 1HG ARG 42 HG2 ARG 42 -19.994 2.941 2.552 361 2HG ARG 42 HG1 ARG 42 -19.051 4.376 2.946 362 1HD ARG 42 HD2 ARG 42 -20.632 4.945 4.737 363 2HD ARG 42 HD1 ARG 42 -21.618 3.545 4.338 364 HE ARG 42 HE ARG 42 -19.261 3.600 6.003 365 1HH1 ARG 42 HH21 ARG 42 -20.803 1.686 3.575 366 2HH1 ARG 42 HH22 ARG 42 -19.907 0.256 3.964 367 1HH2 ARG 42 HH11 ARG 42 -18.097 1.753 6.507 368 2HH2 ARG 42 HH12 ARG 42 -18.375 0.296 5.613 369 H GLU 43 HN GLU 43 -20.593 7.212 -0.205 370 HA GLU 43 HA GLU 43 -23.233 6.845 -1.474 371 1HB GLU 43 HB2 GLU 43 -21.454 9.276 -1.134 372 2HB GLU 43 HB1 GLU 43 -23.041 9.310 -1.902 373 1HG GLU 43 HG2 GLU 43 -24.071 8.467 0.173 374 2HG GLU 43 HG1 GLU 43 -22.485 8.424 0.945 375 H ASN 44 HN ASN 44 -20.180 6.219 -2.423 376 HA ASN 44 HA ASN 44 -20.884 6.503 -5.294 377 1HB ASN 44 HB2 ASN 44 -19.592 8.561 -4.581 378 2HB ASN 44 HB1 ASN 44 -18.236 7.497 -4.208 379 1HD2 ASN 44 HD21 ASN 44 -17.104 8.768 -5.988 380 2HD2 ASN 44 HD22 ASN 44 -17.357 8.295 -7.599 381 H LYS 45 HN LYS 45 -20.833 4.288 -5.673 382 HA LYS 45 HA LYS 45 -18.627 2.665 -4.572 383 1HB LYS 45 HB2 LYS 45 -21.005 1.949 -6.311 384 2HB LYS 45 HB1 LYS 45 -19.841 0.785 -5.681 385 1HG LYS 45 HG2 LYS 45 -20.415 1.451 -3.375 386 2HG LYS 45 HG1 LYS 45 -21.584 2.613 -4.005 387 1HD LYS 45 HD2 LYS 45 -22.832 0.779 -5.087 388 2HD LYS 45 HD1 LYS 45 -21.668 -0.386 -4.456 389 1HE LYS 45 HE2 LYS 45 -22.263 0.222 -2.159 390 2HE LYS 45 HE1 LYS 45 -23.380 1.450 -2.754 391 1HZ LYS 45 HZ1 LYS 45 -23.643 -1.459 -2.739 392 2HZ LYS 45 HZ2 LYS 45 -24.304 -0.627 -4.065 393 3HZ LYS 45 HZ3 LYS 45 -24.818 -0.261 -2.488 394 H GLN 46 HN GLN 46 -20.000 2.938 -7.877 395 HA GLN 46 HA GLN 46 -17.591 1.908 -9.076 396 1HB GLN 46 HB2 GLN 46 -19.930 3.415 -10.274 397 2HB GLN 46 HB1 GLN 46 -18.640 2.672 -11.221 398 1HG GLN 46 HG2 GLN 46 -19.179 0.473 -10.239 399 2HG GLN 46 HG1 GLN 46 -20.472 1.213 -9.294 400 1HE2 GLN 46 HE21 GLN 46 -20.352 -0.764 -11.758 401 2HE2 GLN 46 HE22 GLN 46 -21.528 -0.121 -12.800 402 H GLY 47 HN GLY 47 -15.920 2.995 -10.110 403 1HA GLY 47 HA2 GLY 47 -15.008 5.077 -11.096 404 2HA GLY 47 HA1 GLY 47 -15.857 5.984 -9.847 405 H TRP 48 HN TRP 48 -15.220 4.922 -7.511 406 HA TRP 48 HA TRP 48 -12.298 5.327 -7.367 407 1HB TRP 48 HB2 TRP 48 -12.609 5.721 -5.057 408 2HB TRP 48 HB1 TRP 48 -14.017 6.442 -5.826 409 HD1 TRP 48 HD1 TRP 48 -16.354 5.071 -5.636 410 HE1 TRP 48 HE1 TRP 48 -17.179 3.435 -3.830 411 HE3 TRP 48 HE3 TRP 48 -11.909 3.892 -3.416 412 HZ2 TRP 48 HZ2 TRP 48 -16.104 1.840 -1.714 413 HZ3 TRP 48 HZ3 TRP 48 -11.842 2.318 -1.506 414 HH2 TRP 48 HH2 TRP 48 -13.929 1.290 -0.655 415 H GLN 49 HN GLN 49 -14.438 2.680 -7.522 416 HA GLN 49 HA GLN 49 -13.047 0.875 -5.768 417 1HB GLN 49 HB2 GLN 49 -15.355 0.472 -6.582 418 2HB GLN 49 HB1 GLN 49 -14.725 0.237 -8.211 419 1HG GLN 49 HG2 GLN 49 -13.371 -1.670 -7.423 420 2HG GLN 49 HG1 GLN 49 -13.989 -1.435 -5.788 421 1HE2 GLN 49 HE21 GLN 49 -15.469 -3.100 -5.421 422 2HE2 GLN 49 HE22 GLN 49 -16.689 -3.566 -6.505 423 H ASN 50 HN ASN 50 -12.966 1.106 -9.351 424 HA ASN 50 HA ASN 50 -10.762 -0.740 -9.565 425 1HB ASN 50 HB2 ASN 50 -11.840 1.313 -11.518 426 2HB ASN 50 HB1 ASN 50 -10.625 0.099 -11.920 427 1HD2 ASN 50 HD21 ASN 50 -13.058 0.008 -13.314 428 2HD2 ASN 50 HD22 ASN 50 -13.966 -1.330 -12.796 429 H SER 51 HN SER 51 -10.945 2.767 -9.228 430 HA SER 51 HA SER 51 -8.311 3.413 -10.068 431 1HB SER 51 HB2 SER 51 -8.589 5.461 -8.800 432 2HB SER 51 HB1 SER 51 -10.133 5.054 -9.545 433 HG SER 51 HG SER 51 -10.719 4.087 -7.540 434 H ILE 52 HN ILE 52 -9.483 2.350 -6.865 435 HA ILE 52 HA ILE 52 -7.048 2.759 -5.459 436 HB ILE 52 HB ILE 52 -9.207 0.672 -5.073 437 1HG1 ILE 52 HG12 ILE 52 -9.721 3.223 -4.960 438 2HG1 ILE 52 HG11 ILE 52 -10.287 2.193 -3.654 439 1HG2 ILE 52 HG21 ILE 52 -7.276 -0.108 -3.898 440 2HG2 ILE 52 HG22 ILE 52 -8.332 0.636 -2.698 441 3HG2 ILE 52 HG23 ILE 52 -6.918 1.507 -3.287 442 1HD1 ILE 52 HD11 ILE 52 -8.466 2.894 -2.224 443 2HD1 ILE 52 HD12 ILE 52 -9.223 4.336 -2.892 444 3HD1 ILE 52 HD13 ILE 52 -7.693 3.765 -3.548 445 H ARG 53 HN ARG 53 -8.219 -0.227 -7.062 446 HA ARG 53 HA ARG 53 -5.762 -1.675 -6.571 447 1HB ARG 53 HB2 ARG 53 -8.060 -2.098 -8.499 448 2HB ARG 53 HB1 ARG 53 -6.692 -3.206 -8.388 449 1HG ARG 53 HG2 ARG 53 -7.193 -3.797 -6.171 450 2HG ARG 53 HG1 ARG 53 -8.245 -2.412 -5.932 451 1HD ARG 53 HD2 ARG 53 -9.565 -4.482 -6.224 452 2HD ARG 53 HD1 ARG 53 -9.861 -3.350 -7.545 453 HE ARG 53 HE ARG 53 -7.814 -4.966 -8.490 454 1HH1 ARG 53 HH21 ARG 53 -10.949 -5.413 -7.124 455 2HH1 ARG 53 HH22 ARG 53 -11.265 -6.878 -7.991 456 1HH2 ARG 53 HH11 ARG 53 -8.212 -6.882 -9.633 457 2HH2 ARG 53 HH12 ARG 53 -9.718 -7.710 -9.408 458 H HIS 54 HN HIS 54 -6.984 0.253 -9.282 459 HA HIS 54 HA HIS 54 -4.997 -0.427 -11.184 460 1HB HIS 54 HB2 HIS 54 -7.025 0.847 -11.752 461 2HB HIS 54 HB1 HIS 54 -6.430 2.219 -10.815 462 HD1 HIS 54 HD1 HIS 54 -5.017 3.858 -12.053 463 HD2 HIS 54 HD2 HIS 54 -5.132 0.166 -13.984 464 HE1 HIS 54 HE1 HIS 54 -3.750 4.148 -14.226 465 H ASN 55 HN ASN 55 -4.952 2.077 -8.640 466 HA ASN 55 HA ASN 55 -2.436 3.196 -9.500 467 1HB ASN 55 HB2 ASN 55 -2.435 4.377 -7.377 468 2HB ASN 55 HB1 ASN 55 -4.066 4.396 -8.040 469 1HD2 ASN 55 HD21 ASN 55 -5.202 4.498 -6.037 470 2HD2 ASN 55 HD22 ASN 55 -5.157 3.254 -4.883 471 H LEU 56 HN LEU 56 -3.220 0.319 -7.747 472 HA LEU 56 HA LEU 56 -0.830 0.126 -6.186 473 1HB LEU 56 HB2 LEU 56 -2.675 -2.011 -7.256 474 2HB LEU 56 HB1 LEU 56 -1.334 -2.348 -6.167 475 HG LEU 56 HG LEU 56 -3.622 -0.448 -5.563 476 1HD1 LEU 56 HD11 LEU 56 -4.084 -3.008 -5.685 477 2HD1 LEU 56 HD12 LEU 56 -4.587 -2.141 -4.235 478 3HD1 LEU 56 HD13 LEU 56 -3.109 -3.102 -4.220 479 1HD2 LEU 56 HD21 LEU 56 -1.902 0.331 -4.197 480 2HD2 LEU 56 HD22 LEU 56 -1.112 -1.242 -4.105 481 3HD2 LEU 56 HD23 LEU 56 -2.565 -0.925 -3.159 482 H SER 57 HN SER 57 -1.553 -0.985 -9.492 483 HA SER 57 HA SER 57 0.956 -2.372 -9.800 484 1HB SER 57 HB2 SER 57 -1.018 -2.807 -11.236 485 2HB SER 57 HB1 SER 57 -0.850 -1.198 -11.932 486 HG SER 57 HG SER 57 0.752 -1.892 -13.107 487 H LEU 58 HN LEU 58 -0.118 0.863 -10.893 488 HA LEU 58 HA LEU 58 2.356 1.582 -12.109 489 1HB LEU 58 HB2 LEU 58 0.151 3.261 -10.908 490 2HB LEU 58 HB1 LEU 58 1.526 3.953 -11.765 491 HG LEU 58 HG LEU 58 -0.305 1.854 -12.957 492 1HD1 LEU 58 HD11 LEU 58 -0.425 4.874 -13.019 493 2HD1 LEU 58 HD12 LEU 58 -1.712 3.735 -12.626 494 3HD1 LEU 58 HD13 LEU 58 -1.156 3.895 -14.290 495 1HD2 LEU 58 HD21 LEU 58 2.003 3.505 -13.968 496 2HD2 LEU 58 HD22 LEU 58 0.715 3.071 -15.089 497 3HD2 LEU 58 HD23 LEU 58 1.623 1.810 -14.268 498 H ASN 59 HN ASN 59 1.188 2.027 -8.777 499 HA ASN 59 HA ASN 59 3.536 3.552 -7.997 500 1HB ASN 59 HB2 ASN 59 1.382 2.156 -6.385 501 2HB ASN 59 HB1 ASN 59 2.657 3.145 -5.670 502 1HD2 ASN 59 HD21 ASN 59 -0.509 3.352 -6.622 503 2HD2 ASN 59 HD22 ASN 59 -0.582 5.001 -7.021 504 H GLU 60 HN GLU 60 5.497 2.616 -7.919 505 HA GLU 60 HA GLU 60 5.776 -0.270 -7.349 506 1HB GLU 60 HB2 GLU 60 7.832 1.849 -8.037 507 2HB GLU 60 HB1 GLU 60 8.151 0.118 -7.911 508 1HG GLU 60 HG2 GLU 60 6.081 1.289 -9.782 509 2HG GLU 60 HG1 GLU 60 7.741 0.944 -10.273 510 H CYS 61 HN CYS 61 5.624 2.568 -5.581 511 HA CYS 61 HA CYS 61 7.711 2.240 -3.664 512 1HB CYS 61 HB2 CYS 61 6.337 3.692 -2.216 513 2HB CYS 61 HB1 CYS 61 6.405 4.316 -3.863 514 HG CYS 61 HG CYS 61 3.905 3.105 -2.503 515 H PHE 62 HN PHE 62 4.471 0.829 -3.867 516 HA PHE 62 HA PHE 62 4.646 -0.355 -1.204 517 1HB PHE 62 HB2 PHE 62 2.764 -0.947 -3.507 518 2HB PHE 62 HB1 PHE 62 2.582 -1.537 -1.856 519 HD1 PHE 62 HD1 PHE 62 2.785 0.393 0.006 520 HD2 PHE 62 HD2 PHE 62 1.577 0.993 -4.075 521 HE1 PHE 62 HE1 PHE 62 1.642 2.494 0.652 522 HE2 PHE 62 HE2 PHE 62 0.431 3.095 -3.424 523 HZ PHE 62 HZ PHE 62 0.464 3.844 -1.059 524 H VAL 63 HN VAL 63 4.881 -2.616 -0.770 525 HA VAL 63 HA VAL 63 6.398 -4.115 -2.884 526 HB VAL 63 HB VAL 63 6.527 -4.409 0.131 527 1HG1 VAL 63 HG11 VAL 63 8.130 -5.581 -2.156 528 2HG1 VAL 63 HG12 VAL 63 7.152 -6.457 -0.980 529 3HG1 VAL 63 HG13 VAL 63 8.641 -5.659 -0.470 530 1HG2 VAL 63 HG21 VAL 63 8.194 -2.840 -1.846 531 2HG2 VAL 63 HG22 VAL 63 8.860 -3.376 -0.307 532 3HG2 VAL 63 HG23 VAL 63 7.480 -2.284 -0.332 533 H LYS 64 HN LYS 64 5.506 -6.000 -3.572 534 HA LYS 64 HA LYS 64 2.949 -6.878 -2.441 535 1HB LYS 64 HB2 LYS 64 4.661 -8.018 -4.672 536 2HB LYS 64 HB1 LYS 64 3.036 -8.568 -4.264 537 1HG LYS 64 HG2 LYS 64 2.143 -6.325 -4.723 538 2HG LYS 64 HG1 LYS 64 3.766 -5.753 -5.115 539 1HD LYS 64 HD2 LYS 64 3.913 -7.190 -7.023 540 2HD LYS 64 HD1 LYS 64 2.467 -8.080 -6.548 541 1HE LYS 64 HE2 LYS 64 1.041 -6.269 -7.078 542 2HE LYS 64 HE1 LYS 64 2.375 -5.116 -7.123 543 1HZ LYS 64 HZ1 LYS 64 1.551 -5.816 -9.340 544 2HZ LYS 64 HZ2 LYS 64 2.090 -7.391 -9.005 545 3HZ LYS 64 HZ3 LYS 64 3.204 -6.113 -9.101 546 H VAL 65 HN VAL 65 2.565 -8.929 -1.487 547 HA VAL 65 HA VAL 65 4.948 -10.556 -0.733 548 HB VAL 65 HB VAL 65 2.818 -9.519 1.162 549 1HG1 VAL 65 HG11 VAL 65 5.100 -11.463 1.631 550 2HG1 VAL 65 HG12 VAL 65 3.378 -11.832 1.736 551 3HG1 VAL 65 HG13 VAL 65 4.119 -10.742 2.904 552 1HG2 VAL 65 HG21 VAL 65 4.840 -8.557 2.317 553 2HG2 VAL 65 HG22 VAL 65 4.521 -7.857 0.730 554 3HG2 VAL 65 HG23 VAL 65 5.803 -9.052 0.925 555 HA PRO 66 HA PRO 66 1.821 -13.550 -2.057 556 1HB PRO 66 HB2 PRO 66 3.221 -15.860 -1.649 557 2HB PRO 66 HB1 PRO 66 3.545 -14.774 -3.015 558 1HG PRO 66 HG2 PRO 66 5.005 -15.038 -0.425 559 2HG PRO 66 HG1 PRO 66 5.649 -14.826 -2.062 560 1HD PRO 66 HD2 PRO 66 5.425 -12.765 -0.268 561 2HD PRO 66 HD1 PRO 66 5.345 -12.524 -2.027 562 H ARG 67 HN ARG 67 1.015 -15.803 -1.023 563 HA ARG 67 HA ARG 67 0.611 -15.292 1.907 564 1HB ARG 67 HB2 ARG 67 -1.134 -16.825 -0.042 565 2HB ARG 67 HB1 ARG 67 -1.480 -16.553 1.667 566 1HG ARG 67 HG2 ARG 67 -1.337 -14.063 1.178 567 2HG ARG 67 HG1 ARG 67 -1.312 -14.488 -0.531 568 1HD ARG 67 HD2 ARG 67 -3.612 -14.031 0.090 569 2HD ARG 67 HD1 ARG 67 -3.448 -15.767 -0.180 570 HE ARG 67 HE ARG 67 -2.981 -15.456 2.539 571 1HH1 ARG 67 HH21 ARG 67 -5.445 -14.579 0.290 572 2HH1 ARG 67 HH22 ARG 67 -6.721 -14.647 1.460 573 1HH2 ARG 67 HH11 ARG 67 -4.635 -15.546 4.078 574 2HH2 ARG 67 HH12 ARG 67 -6.263 -15.192 3.603 575 H ASP 68 HN ASP 68 0.417 -17.239 3.246 576 HA ASP 68 HA ASP 68 2.567 -19.075 2.845 577 1HB ASP 68 HB2 ASP 68 0.121 -19.201 4.635 578 2HB ASP 68 HB1 ASP 68 1.434 -20.377 4.700 579 H ASP 69 HN ASP 69 2.386 -21.412 2.450 580 HA ASP 69 HA ASP 69 0.867 -22.040 0.130 581 1HB ASP 69 HB2 ASP 69 2.211 -23.814 2.185 582 2HB ASP 69 HB1 ASP 69 1.489 -24.431 0.699 583 H LYS 70 HN LYS 70 -0.003 -22.107 3.490 584 HA LYS 70 HA LYS 70 -2.061 -24.074 3.439 585 1HB LYS 70 HB2 LYS 70 -1.788 -21.515 5.038 586 2HB LYS 70 HB1 LYS 70 -3.044 -22.718 5.335 587 1HG LYS 70 HG2 LYS 70 -1.316 -24.437 5.716 588 2HG LYS 70 HG1 LYS 70 -0.057 -23.234 5.426 589 1HD LYS 70 HD2 LYS 70 -0.885 -21.904 7.331 590 2HD LYS 70 HD1 LYS 70 -2.140 -23.108 7.626 591 1HE LYS 70 HE2 LYS 70 -0.225 -23.482 9.126 592 2HE LYS 70 HE1 LYS 70 -0.395 -24.825 7.995 593 1HZ LYS 70 HZ1 LYS 70 1.478 -24.257 6.890 594 2HZ LYS 70 HZ2 LYS 70 1.897 -23.588 8.394 595 3HZ LYS 70 HZ3 LYS 70 1.284 -22.594 7.159 596 H LYS 71 HN LYS 71 -2.124 -20.609 2.634 597 HA LYS 71 HA LYS 71 -4.972 -20.727 1.930 598 1HB LYS 71 HB2 LYS 71 -2.864 -18.562 1.778 599 2HB LYS 71 HB1 LYS 71 -4.483 -18.340 1.120 600 1HG LYS 71 HG2 LYS 71 -4.256 -17.478 3.453 601 2HG LYS 71 HG1 LYS 71 -5.482 -18.734 3.304 602 1HD LYS 71 HD2 LYS 71 -4.108 -20.367 4.323 603 2HD LYS 71 HD1 LYS 71 -2.642 -19.418 4.073 604 1HE LYS 71 HE2 LYS 71 -3.564 -17.704 5.664 605 2HE LYS 71 HE1 LYS 71 -4.901 -18.806 5.999 606 1HZ LYS 71 HZ1 LYS 71 -2.024 -19.445 6.364 607 2HZ LYS 71 HZ2 LYS 71 -3.333 -20.459 6.747 608 3HZ LYS 71 HZ3 LYS 71 -3.090 -19.016 7.611 609 HA PRO 72 HA PRO 72 -4.125 -21.889 -2.277 610 1HB PRO 72 HB2 PRO 72 -6.354 -20.988 -3.561 611 2HB PRO 72 HB1 PRO 72 -6.390 -22.370 -2.449 612 1HG PRO 72 HG2 PRO 72 -7.160 -19.526 -1.950 613 2HG PRO 72 HG1 PRO 72 -7.980 -21.017 -1.450 614 1HD PRO 72 HD2 PRO 72 -6.374 -19.572 0.240 615 2HD PRO 72 HD1 PRO 72 -6.581 -21.334 0.376 616 H GLY 73 HN GLY 73 -3.960 -18.794 -1.244 617 1HA GLY 73 HA2 GLY 73 -2.688 -17.016 -2.183 618 2HA GLY 73 HA1 GLY 73 -2.628 -17.901 -3.707 619 H LYS 74 HN LYS 74 -5.288 -16.615 -1.675 620 HA LYS 74 HA LYS 74 -6.985 -16.002 -3.873 621 1HB LYS 74 HB2 LYS 74 -6.837 -14.816 -1.089 622 2HB LYS 74 HB1 LYS 74 -8.136 -14.466 -2.230 623 1HG LYS 74 HG2 LYS 74 -8.776 -16.801 -2.315 624 2HG LYS 74 HG1 LYS 74 -7.376 -17.263 -1.355 625 1HD LYS 74 HD2 LYS 74 -9.219 -17.226 0.166 626 2HD LYS 74 HD1 LYS 74 -8.287 -15.768 0.492 627 1HE LYS 74 HE2 LYS 74 -9.868 -14.373 -0.556 628 2HE LYS 74 HE1 LYS 74 -10.603 -15.708 -1.442 629 1HZ LYS 74 HZ1 LYS 74 -10.742 -15.232 1.483 630 2HZ LYS 74 HZ2 LYS 74 -11.332 -16.624 0.710 631 3HZ LYS 74 HZ3 LYS 74 -12.017 -15.106 0.371 632 H GLY 75 HN GLY 75 -4.587 -14.138 -2.175 633 1HA GLY 75 HA2 GLY 75 -4.042 -12.462 -4.474 634 2HA GLY 75 HA1 GLY 75 -4.904 -11.574 -3.214 635 H SER 76 HN SER 76 -2.458 -10.596 -3.652 636 HA SER 76 HA SER 76 -0.564 -11.910 -1.752 637 1HB SER 76 HB2 SER 76 1.062 -10.243 -2.702 638 2HB SER 76 HB1 SER 76 0.391 -11.338 -3.907 639 HG SER 76 HG SER 76 -0.123 -9.539 -4.874 640 H TYR 77 HN TYR 77 -0.062 -10.940 0.213 641 HA TYR 77 HA TYR 77 -1.731 -8.748 1.141 642 1HB TYR 77 HB2 TYR 77 0.851 -9.693 2.416 643 2HB TYR 77 HB1 TYR 77 -0.475 -8.845 3.195 644 HD1 TYR 77 HD1 TYR 77 -2.711 -10.619 1.761 645 HD2 TYR 77 HD2 TYR 77 0.872 -11.501 3.973 646 HE1 TYR 77 HE1 TYR 77 -3.669 -12.784 2.455 647 HE2 TYR 77 HE2 TYR 77 -0.095 -13.674 4.660 648 HH TYR 77 HH TYR 77 -1.760 -15.191 4.143 649 H TRP 78 HN TRP 78 -0.887 -6.646 1.836 650 HA TRP 78 HA TRP 78 1.426 -5.733 0.151 651 1HB TRP 78 HB2 TRP 78 -1.148 -4.305 0.874 652 2HB TRP 78 HB1 TRP 78 0.203 -3.564 0.010 653 HD1 TRP 78 HD1 TRP 78 -2.163 -6.608 -0.340 654 HE1 TRP 78 HE1 TRP 78 -2.495 -7.084 -2.852 655 HE3 TRP 78 HE3 TRP 78 0.948 -3.087 -2.324 656 HZ2 TRP 78 HZ2 TRP 78 -1.557 -6.099 -5.373 657 HZ3 TRP 78 HZ3 TRP 78 1.208 -2.869 -4.778 658 HH2 TRP 78 HH2 TRP 78 -0.044 -4.364 -6.303 659 H THR 79 HN THR 79 3.012 -4.652 1.185 660 HA THR 79 HA THR 79 2.541 -3.336 3.776 661 HB THR 79 HB THR 79 3.016 -5.670 4.434 662 HG1 THR 79 HG1 THR 79 4.554 -3.514 5.035 663 1HG2 THR 79 HG21 THR 79 5.690 -5.305 3.071 664 2HG2 THR 79 HG22 THR 79 4.341 -6.164 2.331 665 3HG2 THR 79 HG23 THR 79 5.059 -6.769 3.823 666 H LEU 80 HN LEU 80 4.719 -2.294 4.500 667 HA LEU 80 HA LEU 80 6.001 -1.167 2.062 668 1HB LEU 80 HB2 LEU 80 5.960 -0.297 4.959 669 2HB LEU 80 HB1 LEU 80 6.936 0.499 3.729 670 HG LEU 80 HG LEU 80 3.956 0.104 3.384 671 1HD1 LEU 80 HD11 LEU 80 3.712 2.449 4.206 672 2HD1 LEU 80 HD12 LEU 80 5.410 2.429 4.679 673 3HD1 LEU 80 HD13 LEU 80 4.264 1.344 5.465 674 1HD2 LEU 80 HD21 LEU 80 4.341 2.232 1.981 675 2HD2 LEU 80 HD22 LEU 80 5.000 0.740 1.326 676 3HD2 LEU 80 HD23 LEU 80 6.062 1.892 2.132 677 H ASP 81 HN ASP 81 7.912 -1.944 1.440 678 HA ASP 81 HA ASP 81 9.891 -2.806 3.486 679 1HB ASP 81 HB2 ASP 81 8.492 -4.542 1.650 680 2HB ASP 81 HB1 ASP 81 10.201 -4.534 1.223 681 HA PRO 82 HA PRO 82 11.468 0.470 0.577 682 1HB PRO 82 HB2 PRO 82 13.407 0.566 2.866 683 2HB PRO 82 HB1 PRO 82 12.642 1.901 1.980 684 1HG PRO 82 HG2 PRO 82 11.785 1.230 4.390 685 2HG PRO 82 HG1 PRO 82 10.632 1.674 3.116 686 1HD PRO 82 HD2 PRO 82 11.299 -1.050 4.186 687 2HD PRO 82 HD1 PRO 82 9.735 -0.411 3.630 688 H ASP 83 HN ASP 83 14.474 0.591 1.282 689 HA ASP 83 HA ASP 83 15.315 -1.280 -0.772 690 1HB ASP 83 HB2 ASP 83 16.871 0.504 1.119 691 2HB ASP 83 HB1 ASP 83 17.640 -0.524 -0.091 692 H SER 84 HN SER 84 14.149 -2.967 0.777 693 HA SER 84 HA SER 84 15.512 -3.986 3.054 694 1HB SER 84 HB2 SER 84 13.221 -4.659 2.444 695 2HB SER 84 HB1 SER 84 13.835 -5.456 0.998 696 HG SER 84 HG SER 84 14.443 -7.085 2.182 697 H TYR 85 HN TYR 85 15.974 -4.488 -0.397 698 HA TYR 85 HA TYR 85 17.726 -6.725 -0.281 699 1HB TYR 85 HB2 TYR 85 16.761 -5.863 -2.389 700 2HB TYR 85 HB1 TYR 85 17.742 -4.403 -2.236 701 HD1 TYR 85 HD1 TYR 85 17.778 -8.014 -2.932 702 HD2 TYR 85 HD2 TYR 85 20.166 -4.463 -2.556 703 HE1 TYR 85 HE1 TYR 85 19.681 -9.182 -4.011 704 HE2 TYR 85 HE2 TYR 85 22.070 -5.632 -3.638 705 HH TYR 85 HH TYR 85 22.652 -8.428 -3.804 706 H ASN 86 HN ASN 86 18.369 -3.238 0.001 707 HA ASN 86 HA ASN 86 21.260 -3.693 0.293 708 1HB ASN 86 HB2 ASN 86 20.229 -1.666 -0.843 709 2HB ASN 86 HB1 ASN 86 19.736 -1.126 0.762 710 1HD2 ASN 86 HD21 ASN 86 21.471 0.583 -0.474 711 2HD2 ASN 86 HD22 ASN 86 23.039 0.438 0.158 712 H MET 87 HN MET 87 19.221 -4.715 2.338 713 HA MET 87 HA MET 87 19.696 -3.133 4.732 714 1HB MET 87 HB2 MET 87 18.451 -5.793 4.135 715 2HB MET 87 HB1 MET 87 18.949 -5.475 5.792 716 1HG MET 87 HG2 MET 87 17.339 -3.377 4.383 717 2HG MET 87 HG1 MET 87 16.516 -4.828 4.955 718 1HE MET 87 HE1 MET 87 18.246 -1.595 5.712 719 2HE MET 87 HE2 MET 87 17.569 -1.220 7.295 720 3HE MET 87 HE3 MET 87 16.493 -1.503 5.928 721 H PHE 88 HN PHE 88 21.906 -2.903 5.037 722 HA PHE 88 HA PHE 88 23.646 -5.299 5.107 723 1HB PHE 88 HB2 PHE 88 24.065 -2.322 5.233 724 2HB PHE 88 HB1 PHE 88 25.316 -3.374 5.890 725 HD1 PHE 88 HD1 PHE 88 27.079 -3.295 4.342 726 HD2 PHE 88 HD2 PHE 88 23.065 -3.887 2.929 727 HE1 PHE 88 HE1 PHE 88 27.941 -3.687 2.052 728 HE2 PHE 88 HE2 PHE 88 23.928 -4.283 0.642 729 HZ PHE 88 HZ PHE 88 26.366 -4.182 0.202 730 H GLU 89 HN GLU 89 21.740 -3.368 7.199 731 HA GLU 89 HA GLU 89 23.244 -3.918 9.638 732 1HB GLU 89 HB2 GLU 89 20.412 -2.916 9.212 733 2HB GLU 89 HB1 GLU 89 21.245 -2.959 10.766 734 1HG GLU 89 HG2 GLU 89 22.297 -1.477 8.341 735 2HG GLU 89 HG1 GLU 89 21.340 -0.717 9.611 736 H ASN 90 HN ASN 90 22.328 -5.250 11.409 737 HA ASN 90 HA ASN 90 21.540 -7.856 10.468 738 1HB ASN 90 HB2 ASN 90 21.466 -6.706 13.275 739 2HB ASN 90 HB1 ASN 90 21.364 -8.419 12.863 740 1HD2 ASN 90 HD21 ASN 90 23.326 -8.979 11.150 741 2HD2 ASN 90 HD22 ASN 90 24.849 -8.458 11.688 742 H GLY 91 HN GLY 91 19.502 -8.662 10.141 743 1HA GLY 91 HA2 GLY 91 17.184 -8.162 11.598 744 2HA GLY 91 HA1 GLY 91 17.208 -6.906 10.360 745 H SER 92 HN SER 92 16.054 -7.457 8.607 746 HA SER 92 HA SER 92 15.227 -10.187 8.083 747 1HB SER 92 HB2 SER 92 13.740 -8.369 7.482 748 2HB SER 92 HB1 SER 92 14.974 -7.637 6.463 749 HG SER 92 HG SER 92 14.471 -8.985 4.933 750 H PHE 93 HN PHE 93 18.025 -8.426 7.354 751 HA PHE 93 HA PHE 93 18.692 -9.363 4.763 752 1HB PHE 93 HB2 PHE 93 19.931 -7.571 5.888 753 2HB PHE 93 HB1 PHE 93 20.529 -8.718 7.086 754 HD1 PHE 93 HD1 PHE 93 22.281 -10.292 6.562 755 HD2 PHE 93 HD2 PHE 93 20.664 -7.728 3.519 756 HE1 PHE 93 HE1 PHE 93 24.148 -10.909 5.051 757 HE2 PHE 93 HE2 PHE 93 22.531 -8.347 2.007 758 HZ PHE 93 HZ PHE 93 24.273 -9.936 2.773 759 H LEU 94 HN LEU 94 19.234 -10.910 7.942 760 HA LEU 94 HA LEU 94 20.700 -13.124 6.725 761 1HB LEU 94 HB2 LEU 94 20.205 -14.178 9.064 762 2HB LEU 94 HB1 LEU 94 21.305 -12.809 8.963 763 HG LEU 94 HG LEU 94 18.421 -12.102 9.295 764 1HD1 LEU 94 HD11 LEU 94 18.531 -12.487 11.756 765 2HD1 LEU 94 HD12 LEU 94 20.024 -13.396 11.516 766 3HD1 LEU 94 HD13 LEU 94 18.512 -13.986 10.827 767 1HD2 LEU 94 HD21 LEU 94 19.331 -10.369 10.702 768 2HD2 LEU 94 HD22 LEU 94 20.361 -10.473 9.274 769 3HD2 LEU 94 HD23 LEU 94 20.889 -11.187 10.797 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -23.723 13.785 2.952 2 2H MET 1 HT2 MET 1 -24.014 14.466 1.421 3 3H MET 1 HT3 MET 1 -25.224 14.501 2.613 4 HA MET 1 HA MET 1 -23.901 16.625 2.195 5 1HB MET 1 HB2 MET 1 -23.933 17.144 4.627 6 2HB MET 1 HB1 MET 1 -25.410 16.337 4.102 7 1HG MET 1 HG2 MET 1 -24.448 14.163 4.859 8 2HG MET 1 HG1 MET 1 -23.039 15.031 5.470 9 1HE MET 1 HE1 MET 1 -26.705 14.790 5.274 10 2HE MET 1 HE2 MET 1 -27.372 15.254 6.836 11 3HE MET 1 HE3 MET 1 -26.589 13.688 6.651 12 H LEU 2 HN LEU 2 -22.219 13.859 2.676 13 HA LEU 2 HA LEU 2 -19.807 14.999 3.903 14 1HB LEU 2 HB2 LEU 2 -20.192 12.346 2.480 15 2HB LEU 2 HB1 LEU 2 -18.828 12.788 3.503 16 HG LEU 2 HG LEU 2 -21.695 12.733 4.480 17 1HD1 LEU 2 HD11 LEU 2 -20.976 10.482 3.770 18 2HD1 LEU 2 HD12 LEU 2 -21.115 10.576 5.526 19 3HD1 LEU 2 HD13 LEU 2 -19.526 10.631 4.763 20 1HD2 LEU 2 HD21 LEU 2 -20.407 12.509 6.710 21 2HD2 LEU 2 HD22 LEU 2 -20.395 14.091 5.937 22 3HD2 LEU 2 HD23 LEU 2 -18.990 13.033 5.803 23 H VAL 3 HN VAL 3 -17.735 15.044 2.714 24 HA VAL 3 HA VAL 3 -18.047 15.387 -0.250 25 HB VAL 3 HB VAL 3 -16.526 17.319 -0.122 26 1HG1 VAL 3 HG11 VAL 3 -18.086 18.893 0.966 27 2HG1 VAL 3 HG12 VAL 3 -18.891 17.544 1.767 28 3HG1 VAL 3 HG13 VAL 3 -18.965 17.698 0.011 29 1HG2 VAL 3 HG21 VAL 3 -16.624 16.674 2.833 30 2HG2 VAL 3 HG22 VAL 3 -16.159 18.269 2.243 31 3HG2 VAL 3 HG23 VAL 3 -15.203 16.854 1.804 32 H LYS 4 HN LYS 4 -15.978 15.091 -1.408 33 HA LYS 4 HA LYS 4 -14.587 12.766 -0.629 34 1HB LYS 4 HB2 LYS 4 -13.267 14.879 -2.326 35 2HB LYS 4 HB1 LYS 4 -13.192 13.128 -2.478 36 1HG LYS 4 HG2 LYS 4 -14.756 13.410 -4.125 37 2HG LYS 4 HG1 LYS 4 -15.900 13.562 -2.796 38 1HD LYS 4 HD2 LYS 4 -15.488 16.044 -2.811 39 2HD LYS 4 HD1 LYS 4 -14.483 15.821 -4.243 40 1HE LYS 4 HE2 LYS 4 -16.768 16.459 -4.890 41 2HE LYS 4 HE1 LYS 4 -16.408 14.820 -5.432 42 1HZ LYS 4 HZ1 LYS 4 -17.674 13.902 -3.713 43 2HZ LYS 4 HZ2 LYS 4 -18.617 15.194 -4.287 44 3HZ LYS 4 HZ3 LYS 4 -17.735 15.359 -2.845 45 HA PRO 5 HA PRO 5 -12.304 14.611 2.879 46 1HB PRO 5 HB2 PRO 5 -10.617 12.192 2.292 47 2HB PRO 5 HB1 PRO 5 -11.172 12.814 3.861 48 1HG PRO 5 HG2 PRO 5 -12.359 10.729 2.732 49 2HG PRO 5 HG1 PRO 5 -13.302 11.959 3.590 50 1HD PRO 5 HD2 PRO 5 -13.083 11.475 0.649 51 2HD PRO 5 HD1 PRO 5 -14.436 12.143 1.587 52 HA PRO 6 HA PRO 6 -8.930 16.524 0.672 53 1HB PRO 6 HB2 PRO 6 -7.383 17.462 2.669 54 2HB PRO 6 HB1 PRO 6 -9.037 18.061 2.427 55 1HG PRO 6 HG2 PRO 6 -8.037 16.028 4.379 56 2HG PRO 6 HG1 PRO 6 -9.161 17.373 4.641 57 1HD PRO 6 HD2 PRO 6 -9.984 14.772 4.221 58 2HD PRO 6 HD1 PRO 6 -10.971 16.194 3.813 59 H TYR 7 HN TYR 7 -8.486 13.571 2.117 60 HA TYR 7 HA TYR 7 -5.561 13.483 2.066 61 1HB TYR 7 HB2 TYR 7 -7.577 11.223 2.254 62 2HB TYR 7 HB1 TYR 7 -5.851 11.108 2.598 63 HD1 TYR 7 HD1 TYR 7 -9.069 11.806 3.970 64 HD2 TYR 7 HD2 TYR 7 -4.901 12.737 4.398 65 HE1 TYR 7 HE1 TYR 7 -9.495 12.597 6.273 66 HE2 TYR 7 HE2 TYR 7 -5.315 13.521 6.713 67 HH TYR 7 HH TYR 7 -7.735 14.508 7.912 68 H SER 8 HN SER 8 -4.296 12.546 0.473 69 HA SER 8 HA SER 8 -5.421 12.429 -2.210 70 1HB SER 8 HB2 SER 8 -3.143 13.215 -1.955 71 2HB SER 8 HB1 SER 8 -2.685 11.750 -1.091 72 HG SER 8 HG SER 8 -3.786 11.034 -3.392 73 H TYR 9 HN TYR 9 -5.261 10.433 -3.572 74 HA TYR 9 HA TYR 9 -6.468 8.187 -2.300 75 1HB TYR 9 HB2 TYR 9 -4.970 8.404 -4.927 76 2HB TYR 9 HB1 TYR 9 -5.838 6.955 -4.418 77 HD1 TYR 9 HD1 TYR 9 -8.284 6.940 -4.236 78 HD2 TYR 9 HD2 TYR 9 -6.160 10.444 -5.524 79 HE1 TYR 9 HE1 TYR 9 -10.413 7.930 -5.041 80 HE2 TYR 9 HE2 TYR 9 -8.285 11.434 -6.333 81 HH TYR 9 HH TYR 9 -10.449 10.958 -6.856 82 H ILE 10 HN ILE 10 -3.092 8.888 -3.132 83 HA ILE 10 HA ILE 10 -2.040 6.336 -2.340 84 HB ILE 10 HB ILE 10 -0.702 9.062 -2.309 85 1HG1 ILE 10 HG12 ILE 10 -1.569 8.579 -4.529 86 2HG1 ILE 10 HG11 ILE 10 0.176 8.352 -4.543 87 1HG2 ILE 10 HG21 ILE 10 0.346 6.233 -2.173 88 2HG2 ILE 10 HG22 ILE 10 0.660 7.567 -1.063 89 3HG2 ILE 10 HG23 ILE 10 1.361 7.584 -2.681 90 1HD1 ILE 10 HD11 ILE 10 -2.006 6.298 -4.692 91 2HD1 ILE 10 HD12 ILE 10 -0.454 5.837 -3.992 92 3HD1 ILE 10 HD13 ILE 10 -0.533 6.431 -5.650 93 H ALA 11 HN ALA 11 -2.609 9.375 -0.582 94 HA ALA 11 HA ALA 11 -1.391 8.595 1.888 95 1HB ALA 11 HB1 ALA 11 -2.580 10.425 2.872 96 2HB ALA 11 HB2 ALA 11 -3.845 10.359 1.644 97 3HB ALA 11 HB3 ALA 11 -2.230 10.927 1.217 98 H LEU 12 HN LEU 12 -4.782 8.258 0.769 99 HA LEU 12 HA LEU 12 -5.734 7.025 3.157 100 1HB LEU 12 HB2 LEU 12 -6.618 6.626 0.283 101 2HB LEU 12 HB1 LEU 12 -7.519 6.067 1.688 102 HG LEU 12 HG LEU 12 -6.764 8.962 1.179 103 1HD1 LEU 12 HD11 LEU 12 -9.286 9.147 0.761 104 2HD1 LEU 12 HD12 LEU 12 -9.283 7.390 0.609 105 3HD1 LEU 12 HD13 LEU 12 -8.337 8.374 -0.509 106 1HD2 LEU 12 HD21 LEU 12 -7.125 8.833 3.484 107 2HD2 LEU 12 HD22 LEU 12 -8.289 7.516 3.340 108 3HD2 LEU 12 HD23 LEU 12 -8.757 9.161 2.914 109 H ILE 13 HN ILE 13 -4.275 5.633 0.223 110 HA ILE 13 HA ILE 13 -4.469 2.896 1.126 111 HB ILE 13 HB ILE 13 -2.552 4.163 -0.856 112 1HG1 ILE 13 HG12 ILE 13 -5.108 2.636 -1.395 113 2HG1 ILE 13 HG11 ILE 13 -5.053 4.395 -1.302 114 1HG2 ILE 13 HG21 ILE 13 -1.704 2.013 -0.191 115 2HG2 ILE 13 HG22 ILE 13 -2.505 1.790 -1.746 116 3HG2 ILE 13 HG23 ILE 13 -3.314 1.294 -0.260 117 1HD1 ILE 13 HD11 ILE 13 -3.364 4.439 -3.104 118 2HD1 ILE 13 HD12 ILE 13 -4.837 3.636 -3.643 119 3HD1 ILE 13 HD13 ILE 13 -3.423 2.680 -3.201 120 H THR 14 HN THR 14 -1.768 5.231 1.061 121 HA THR 14 HA THR 14 0.127 3.569 2.366 122 HB THR 14 HB THR 14 -0.085 6.585 2.407 123 HG1 THR 14 HG1 THR 14 1.738 5.957 0.785 124 1HG2 THR 14 HG21 THR 14 2.113 4.651 3.139 125 2HG2 THR 14 HG22 THR 14 1.452 5.967 4.108 126 3HG2 THR 14 HG23 THR 14 2.453 6.325 2.698 127 H MET 15 HN MET 15 -2.251 5.839 3.654 128 HA MET 15 HA MET 15 -1.398 5.632 6.400 129 1HB MET 15 HB2 MET 15 -3.997 6.501 5.106 130 2HB MET 15 HB1 MET 15 -3.696 6.603 6.839 131 1HG MET 15 HG2 MET 15 -1.990 8.202 6.583 132 2HG MET 15 HG1 MET 15 -1.742 7.810 4.882 133 1HE MET 15 HE1 MET 15 -5.019 8.515 7.022 134 2HE MET 15 HE2 MET 15 -5.120 10.255 6.776 135 3HE MET 15 HE3 MET 15 -3.702 9.564 7.560 136 H ALA 16 HN ALA 16 -3.812 3.919 4.446 137 HA ALA 16 HA ALA 16 -5.071 2.481 6.546 138 1HB ALA 16 HB1 ALA 16 -4.691 2.031 3.599 139 2HB ALA 16 HB2 ALA 16 -6.179 2.330 4.496 140 3HB ALA 16 HB3 ALA 16 -5.408 0.748 4.576 141 H ILE 17 HN ILE 17 -2.177 1.676 4.619 142 HA ILE 17 HA ILE 17 -1.747 -0.933 5.691 143 HB ILE 17 HB ILE 17 0.295 1.116 4.765 144 1HG1 ILE 17 HG12 ILE 17 -1.001 -1.150 3.229 145 2HG1 ILE 17 HG11 ILE 17 -1.573 0.515 3.171 146 1HG2 ILE 17 HG21 ILE 17 1.489 -0.606 5.900 147 2HG2 ILE 17 HG22 ILE 17 1.549 -1.069 4.199 148 3HG2 ILE 17 HG23 ILE 17 0.412 -1.861 5.288 149 1HD1 ILE 17 HD11 ILE 17 1.185 -0.459 2.376 150 2HD1 ILE 17 HD12 ILE 17 0.694 1.235 2.421 151 3HD1 ILE 17 HD13 ILE 17 -0.074 0.124 1.285 152 H GLN 18 HN GLN 18 -0.401 2.209 6.666 153 HA GLN 18 HA GLN 18 0.986 1.164 8.973 154 1HB GLN 18 HB2 GLN 18 0.132 3.966 8.207 155 2HB GLN 18 HB1 GLN 18 1.092 3.607 9.642 156 1HG GLN 18 HG2 GLN 18 2.835 2.585 8.249 157 2HG GLN 18 HG1 GLN 18 1.868 2.876 6.803 158 1HE2 GLN 18 HE21 GLN 18 4.501 4.009 7.154 159 2HE2 GLN 18 HE22 GLN 18 4.334 5.695 7.265 160 H ASN 19 HN ASN 19 -2.177 2.704 8.518 161 HA ASN 19 HA ASN 19 -2.788 2.693 11.361 162 1HB ASN 19 HB2 ASN 19 -4.470 3.159 8.890 163 2HB ASN 19 HB1 ASN 19 -5.114 3.263 10.529 164 1HD2 ASN 19 HD21 ASN 19 -3.302 4.970 8.109 165 2HD2 ASN 19 HD22 ASN 19 -2.907 6.322 9.055 166 H ALA 20 HN ALA 20 -2.750 0.274 8.992 167 HA ALA 20 HA ALA 20 -5.022 -1.255 9.993 168 1HB ALA 20 HB1 ALA 20 -3.947 -3.096 8.581 169 2HB ALA 20 HB2 ALA 20 -2.726 -1.904 8.132 170 3HB ALA 20 HB3 ALA 20 -4.419 -1.637 7.710 171 HA PRO 21 HA PRO 21 -3.121 -3.043 13.672 172 1HB PRO 21 HB2 PRO 21 -4.194 -5.578 12.441 173 2HB PRO 21 HB1 PRO 21 -4.264 -5.040 14.131 174 1HG PRO 21 HG2 PRO 21 -6.375 -4.802 12.526 175 2HG PRO 21 HG1 PRO 21 -5.989 -3.562 13.731 176 1HD PRO 21 HD2 PRO 21 -5.740 -3.424 10.771 177 2HD PRO 21 HD1 PRO 21 -5.895 -2.105 11.953 178 H GLU 22 HN GLU 22 -2.952 -5.403 11.004 179 HA GLU 22 HA GLU 22 -0.015 -5.685 11.462 180 1HB GLU 22 HB2 GLU 22 -2.038 -7.389 9.973 181 2HB GLU 22 HB1 GLU 22 -0.302 -7.694 9.945 182 1HG GLU 22 HG2 GLU 22 -0.296 -7.914 12.403 183 2HG GLU 22 HG1 GLU 22 -2.035 -7.612 12.433 184 H LYS 23 HN LYS 23 1.411 -5.035 9.832 185 HA LYS 23 HA LYS 23 0.469 -3.171 7.883 186 1HB LYS 23 HB2 LYS 23 3.087 -4.682 8.088 187 2HB LYS 23 HB1 LYS 23 2.780 -3.436 6.877 188 1HG LYS 23 HG2 LYS 23 2.232 -1.841 8.723 189 2HG LYS 23 HG1 LYS 23 2.689 -3.085 9.887 190 1HD LYS 23 HD2 LYS 23 4.949 -3.184 8.824 191 2HD LYS 23 HD1 LYS 23 4.475 -1.839 7.783 192 1HE LYS 23 HE2 LYS 23 4.678 -1.813 10.808 193 2HE LYS 23 HE1 LYS 23 5.697 -0.932 9.671 194 1HZ LYS 23 HZ1 LYS 23 3.310 -0.082 8.914 195 2HZ LYS 23 HZ2 LYS 23 4.225 0.696 10.115 196 3HZ LYS 23 HZ3 LYS 23 2.980 -0.375 10.552 197 H LYS 24 HN LYS 24 0.908 -6.645 7.794 198 HA LYS 24 HA LYS 24 0.663 -6.805 4.880 199 1HB LYS 24 HB2 LYS 24 0.411 -8.948 7.020 200 2HB LYS 24 HB1 LYS 24 0.511 -9.250 5.285 201 1HG LYS 24 HG2 LYS 24 2.727 -8.171 5.219 202 2HG LYS 24 HG1 LYS 24 2.634 -7.873 6.955 203 1HD LYS 24 HD2 LYS 24 2.475 -10.303 7.365 204 2HD LYS 24 HD1 LYS 24 2.573 -10.602 5.630 205 1HE LYS 24 HE2 LYS 24 4.788 -9.380 5.638 206 2HE LYS 24 HE1 LYS 24 4.700 -9.373 7.399 207 1HZ LYS 24 HZ1 LYS 24 4.389 -11.884 5.884 208 2HZ LYS 24 HZ2 LYS 24 4.861 -11.664 7.502 209 3HZ LYS 24 HZ3 LYS 24 5.933 -11.280 6.242 210 H ILE 25 HN ILE 25 -1.283 -5.891 4.264 211 HA ILE 25 HA ILE 25 -3.793 -7.092 5.397 212 HB ILE 25 HB ILE 25 -3.546 -4.686 5.925 213 1HG1 ILE 25 HG12 ILE 25 -5.618 -5.163 3.761 214 2HG1 ILE 25 HG11 ILE 25 -5.790 -5.694 5.435 215 1HG2 ILE 25 HG21 ILE 25 -2.124 -4.225 3.868 216 2HG2 ILE 25 HG22 ILE 25 -3.377 -3.029 4.200 217 3HG2 ILE 25 HG23 ILE 25 -3.621 -4.231 2.934 218 1HD1 ILE 25 HD11 ILE 25 -6.931 -3.600 5.301 219 2HD1 ILE 25 HD12 ILE 25 -5.610 -2.860 4.398 220 3HD1 ILE 25 HD13 ILE 25 -5.397 -3.259 6.103 221 H THR 26 HN THR 26 -5.426 -7.619 3.879 222 HA THR 26 HA THR 26 -4.404 -8.344 1.242 223 HB THR 26 HB THR 26 -6.690 -9.297 0.925 224 HG1 THR 26 HG1 THR 26 -7.132 -8.468 3.591 225 1HG2 THR 26 HG21 THR 26 -6.530 -10.875 2.947 226 2HG2 THR 26 HG22 THR 26 -5.136 -9.915 3.439 227 3HG2 THR 26 HG23 THR 26 -5.114 -10.778 1.901 228 H LEU 27 HN LEU 27 -5.564 -7.764 -0.749 229 HA LEU 27 HA LEU 27 -5.788 -4.955 -1.130 230 1HB LEU 27 HB2 LEU 27 -5.325 -6.684 -2.897 231 2HB LEU 27 HB1 LEU 27 -7.011 -7.177 -2.798 232 HG LEU 27 HG LEU 27 -7.707 -4.886 -3.448 233 1HD1 LEU 27 HD11 LEU 27 -4.739 -4.448 -3.281 234 2HD1 LEU 27 HD12 LEU 27 -6.060 -3.370 -2.831 235 3HD1 LEU 27 HD13 LEU 27 -5.631 -3.576 -4.526 236 1HD2 LEU 27 HD21 LEU 27 -5.664 -5.971 -5.401 237 2HD2 LEU 27 HD22 LEU 27 -7.175 -5.144 -5.770 238 3HD2 LEU 27 HD23 LEU 27 -7.205 -6.775 -5.100 239 H ASN 28 HN ASN 28 -8.286 -7.466 -0.815 240 HA ASN 28 HA ASN 28 -10.566 -5.768 -0.999 241 1HB ASN 28 HB2 ASN 28 -10.079 -8.425 0.353 242 2HB ASN 28 HB1 ASN 28 -11.650 -7.626 0.431 243 1HD2 ASN 28 HD21 ASN 28 -10.384 -10.083 -1.175 244 2HD2 ASN 28 HD22 ASN 28 -11.020 -9.846 -2.732 245 H GLY 29 HN GLY 29 -8.543 -6.722 1.750 246 1HA GLY 29 HA2 GLY 29 -10.101 -5.586 3.825 247 2HA GLY 29 HA1 GLY 29 -8.358 -5.822 3.898 248 H ILE 30 HN ILE 30 -7.621 -4.058 1.745 249 HA ILE 30 HA ILE 30 -7.502 -1.593 3.158 250 HB ILE 30 HB ILE 30 -7.171 -2.089 0.184 251 1HG1 ILE 30 HG12 ILE 30 -5.074 -1.795 2.357 252 2HG1 ILE 30 HG11 ILE 30 -5.662 -3.357 1.785 253 1HG2 ILE 30 HG21 ILE 30 -7.484 0.253 0.450 254 2HG2 ILE 30 HG22 ILE 30 -5.735 0.039 0.440 255 3HG2 ILE 30 HG23 ILE 30 -6.584 0.283 1.965 256 1HD1 ILE 30 HD11 ILE 30 -4.262 -1.232 0.140 257 2HD1 ILE 30 HD12 ILE 30 -4.998 -2.682 -0.543 258 3HD1 ILE 30 HD13 ILE 30 -3.635 -2.823 0.567 259 H TYR 31 HN TYR 31 -9.732 -2.656 0.573 260 HA TYR 31 HA TYR 31 -11.041 -0.136 0.258 261 1HB TYR 31 HB2 TYR 31 -11.954 -2.983 -0.183 262 2HB TYR 31 HB1 TYR 31 -13.021 -1.613 -0.489 263 HD1 TYR 31 HD1 TYR 31 -10.379 -3.638 -1.818 264 HD2 TYR 31 HD2 TYR 31 -12.131 0.270 -2.008 265 HE1 TYR 31 HE1 TYR 31 -9.283 -3.258 -4.006 266 HE2 TYR 31 HE2 TYR 31 -11.038 0.654 -4.191 267 HH TYR 31 HH TYR 31 -8.645 -0.608 -5.295 268 H GLN 32 HN GLN 32 -11.667 -2.818 2.512 269 HA GLN 32 HA GLN 32 -14.077 -1.803 3.633 270 1HB GLN 32 HB2 GLN 32 -13.229 -4.078 4.071 271 2HB GLN 32 HB1 GLN 32 -11.876 -3.400 4.978 272 1HG GLN 32 HG2 GLN 32 -13.362 -2.487 6.648 273 2HG GLN 32 HG1 GLN 32 -14.782 -2.917 5.693 274 1HE2 GLN 32 HE21 GLN 32 -14.571 -3.927 8.317 275 2HE2 GLN 32 HE22 GLN 32 -14.267 -5.596 8.257 276 H PHE 33 HN PHE 33 -10.688 -1.178 4.459 277 HA PHE 33 HA PHE 33 -11.130 0.376 6.790 278 1HB PHE 33 HB2 PHE 33 -8.921 -0.460 6.129 279 2HB PHE 33 HB1 PHE 33 -8.930 0.597 4.720 280 HD1 PHE 33 HD1 PHE 33 -8.681 0.453 8.395 281 HD2 PHE 33 HD2 PHE 33 -8.612 2.997 4.936 282 HE1 PHE 33 HE1 PHE 33 -7.741 2.292 9.768 283 HE2 PHE 33 HE2 PHE 33 -7.676 4.838 6.308 284 HZ PHE 33 HZ PHE 33 -7.241 4.486 8.724 285 H ILE 34 HN ILE 34 -10.745 1.478 3.404 286 HA ILE 34 HA ILE 34 -11.076 4.247 3.931 287 HB ILE 34 HB ILE 34 -11.730 2.618 1.467 288 1HG1 ILE 34 HG12 ILE 34 -9.379 4.433 2.063 289 2HG1 ILE 34 HG11 ILE 34 -9.348 2.691 2.339 290 1HG2 ILE 34 HG21 ILE 34 -12.963 4.624 1.181 291 2HG2 ILE 34 HG22 ILE 34 -11.437 4.939 0.356 292 3HG2 ILE 34 HG23 ILE 34 -11.721 5.599 1.967 293 1HD1 ILE 34 HD11 ILE 34 -9.985 2.375 -0.078 294 2HD1 ILE 34 HD12 ILE 34 -8.397 3.108 0.157 295 3HD1 ILE 34 HD13 ILE 34 -9.774 4.112 -0.302 296 H MET 35 HN MET 35 -13.556 1.879 2.884 297 HA MET 35 HA MET 35 -15.706 3.732 2.837 298 1HB MET 35 HB2 MET 35 -15.662 0.742 3.253 299 2HB MET 35 HB1 MET 35 -17.154 1.671 3.083 300 1HG MET 35 HG2 MET 35 -16.312 2.547 0.901 301 2HG MET 35 HG1 MET 35 -14.896 1.511 1.059 302 1HE MET 35 HE1 MET 35 -15.964 -1.973 0.609 303 2HE MET 35 HE2 MET 35 -16.161 -1.359 2.248 304 3HE MET 35 HE3 MET 35 -14.817 -0.796 1.258 305 H ASP 36 HN ASP 36 -14.516 1.701 5.525 306 HA ASP 36 HA ASP 36 -16.666 2.267 7.311 307 1HB ASP 36 HB2 ASP 36 -13.788 1.491 7.793 308 2HB ASP 36 HB1 ASP 36 -14.948 1.680 9.106 309 H ARG 37 HN ARG 37 -13.439 3.861 7.151 310 HA ARG 37 HA ARG 37 -14.228 5.779 9.175 311 1HB ARG 37 HB2 ARG 37 -11.867 5.734 7.280 312 2HB ARG 37 HB1 ARG 37 -12.083 6.925 8.565 313 1HG ARG 37 HG2 ARG 37 -12.301 4.981 10.187 314 2HG ARG 37 HG1 ARG 37 -11.789 3.926 8.871 315 1HD ARG 37 HD2 ARG 37 -9.836 4.479 10.169 316 2HD ARG 37 HD1 ARG 37 -9.723 5.363 8.641 317 HE ARG 37 HE ARG 37 -10.955 7.183 10.272 318 1HH1 ARG 37 HH21 ARG 37 -8.189 5.147 10.578 319 2HH1 ARG 37 HH22 ARG 37 -7.315 6.262 11.575 320 1HH2 ARG 37 HH11 ARG 37 -9.831 8.648 11.571 321 2HH2 ARG 37 HH12 ARG 37 -8.245 8.243 12.138 322 H PHE 38 HN PHE 38 -14.503 5.713 5.697 323 HA PHE 38 HA PHE 38 -15.656 8.483 5.814 324 1HB PHE 38 HB2 PHE 38 -14.028 7.334 3.528 325 2HB PHE 38 HB1 PHE 38 -14.691 8.965 3.640 326 HD1 PHE 38 HD1 PHE 38 -13.891 10.492 5.512 327 HD2 PHE 38 HD2 PHE 38 -11.954 6.781 4.539 328 HE1 PHE 38 HE1 PHE 38 -11.862 11.226 6.739 329 HE2 PHE 38 HE2 PHE 38 -9.931 7.516 5.767 330 HZ PHE 38 HZ PHE 38 -9.885 9.738 6.868 331 HA PRO 39 HA PRO 39 -18.823 5.336 4.394 332 1HB PRO 39 HB2 PRO 39 -20.442 7.641 5.442 333 2HB PRO 39 HB1 PRO 39 -20.708 5.897 5.643 334 1HG PRO 39 HG2 PRO 39 -19.716 7.347 7.627 335 2HG PRO 39 HG1 PRO 39 -19.107 5.714 7.306 336 1HD PRO 39 HD2 PRO 39 -17.818 8.352 6.710 337 2HD PRO 39 HD1 PRO 39 -17.063 6.810 7.171 338 H PHE 40 HN PHE 40 -17.780 8.414 3.504 339 HA PHE 40 HA PHE 40 -19.762 9.274 1.656 340 1HB PHE 40 HB2 PHE 40 -18.069 10.830 2.199 341 2HB PHE 40 HB1 PHE 40 -16.781 9.672 1.882 342 HD1 PHE 40 HD1 PHE 40 -15.532 10.119 -0.041 343 HD2 PHE 40 HD2 PHE 40 -19.730 11.061 0.005 344 HE1 PHE 40 HE1 PHE 40 -15.375 10.963 -2.368 345 HE2 PHE 40 HE2 PHE 40 -19.567 11.902 -2.322 346 HZ PHE 40 HZ PHE 40 -17.390 11.853 -3.508 347 H TYR 41 HN TYR 41 -17.019 7.050 1.288 348 HA TYR 41 HA TYR 41 -17.387 6.665 -1.537 349 1HB TYR 41 HB2 TYR 41 -15.965 5.007 0.552 350 2HB TYR 41 HB1 TYR 41 -15.909 4.671 -1.181 351 HD1 TYR 41 HD1 TYR 41 -14.739 6.172 -2.726 352 HD2 TYR 41 HD2 TYR 41 -14.978 7.035 1.464 353 HE1 TYR 41 HE1 TYR 41 -13.007 7.913 -3.000 354 HE2 TYR 41 HE2 TYR 41 -13.246 8.787 1.208 355 HH TYR 41 HH TYR 41 -11.626 9.317 -1.918 356 H ARG 42 HN ARG 42 -18.942 5.287 1.269 357 HA ARG 42 HA ARG 42 -19.857 2.854 0.103 358 1HB ARG 42 HB2 ARG 42 -21.115 4.632 2.207 359 2HB ARG 42 HB1 ARG 42 -21.789 3.076 1.737 360 1HG ARG 42 HG2 ARG 42 -19.664 1.977 2.331 361 2HG ARG 42 HG1 ARG 42 -18.997 3.531 2.823 362 1HD ARG 42 HD2 ARG 42 -20.713 3.762 4.547 363 2HD ARG 42 HD1 ARG 42 -21.477 2.264 4.034 364 HE ARG 42 HE ARG 42 -19.233 2.553 5.829 365 1HH1 ARG 42 HH21 ARG 42 -20.401 0.577 3.251 366 2HH1 ARG 42 HH22 ARG 42 -19.331 -0.737 3.611 367 1HH2 ARG 42 HH11 ARG 42 -17.843 0.853 6.301 368 2HH2 ARG 42 HH12 ARG 42 -17.889 -0.581 5.332 369 H GLU 43 HN GLU 43 -21.109 6.162 -0.062 370 HA GLU 43 HA GLU 43 -23.409 5.318 -1.697 371 1HB GLU 43 HB2 GLU 43 -22.399 8.096 -1.004 372 2HB GLU 43 HB1 GLU 43 -23.948 7.722 -1.758 373 1HG GLU 43 HG2 GLU 43 -23.063 6.796 0.992 374 2HG GLU 43 HG1 GLU 43 -24.206 8.100 0.670 375 H ASN 44 HN ASN 44 -20.299 5.391 -2.381 376 HA ASN 44 HA ASN 44 -20.747 6.252 -5.210 377 1HB ASN 44 HB2 ASN 44 -19.543 8.044 -3.841 378 2HB ASN 44 HB1 ASN 44 -18.219 6.892 -3.680 379 1HD2 ASN 44 HD21 ASN 44 -19.515 6.155 -6.624 380 2HD2 ASN 44 HD22 ASN 44 -18.572 7.161 -7.614 381 H LYS 45 HN LYS 45 -20.266 4.534 -6.470 382 HA LYS 45 HA LYS 45 -18.116 2.630 -5.590 383 1HB LYS 45 HB2 LYS 45 -20.633 2.109 -7.195 384 2HB LYS 45 HB1 LYS 45 -19.390 0.911 -6.842 385 1HG LYS 45 HG2 LYS 45 -19.791 1.205 -4.422 386 2HG LYS 45 HG1 LYS 45 -21.041 2.398 -4.776 387 1HD LYS 45 HD2 LYS 45 -22.296 0.667 -6.049 388 2HD LYS 45 HD1 LYS 45 -21.068 -0.518 -5.606 389 1HE LYS 45 HE2 LYS 45 -22.630 1.078 -3.564 390 2HE LYS 45 HE1 LYS 45 -23.130 -0.514 -4.129 391 1HZ LYS 45 HZ1 LYS 45 -20.887 0.237 -2.427 392 2HZ LYS 45 HZ2 LYS 45 -20.621 -1.033 -3.523 393 3HZ LYS 45 HZ3 LYS 45 -21.872 -1.142 -2.378 394 H GLN 46 HN GLN 46 -18.465 5.130 -7.486 395 HA GLN 46 HA GLN 46 -18.038 4.275 -10.148 396 1HB GLN 46 HB2 GLN 46 -17.178 6.792 -8.712 397 2HB GLN 46 HB1 GLN 46 -16.959 6.551 -10.446 398 1HG GLN 46 HG2 GLN 46 -19.385 6.176 -10.704 399 2HG GLN 46 HG1 GLN 46 -19.608 6.421 -8.972 400 1HE2 GLN 46 HE21 GLN 46 -17.340 8.571 -9.195 401 2HE2 GLN 46 HE22 GLN 46 -18.162 9.934 -9.784 402 H GLY 47 HN GLY 47 -15.759 5.349 -11.095 403 1HA GLY 47 HA2 GLY 47 -13.885 3.329 -11.028 404 2HA GLY 47 HA1 GLY 47 -13.473 4.992 -11.420 405 H TRP 48 HN TRP 48 -14.469 5.428 -8.368 406 HA TRP 48 HA TRP 48 -11.810 5.630 -7.353 407 1HB TRP 48 HB2 TRP 48 -12.754 6.398 -5.379 408 2HB TRP 48 HB1 TRP 48 -14.113 6.639 -6.468 409 HD1 TRP 48 HD1 TRP 48 -16.268 5.289 -6.030 410 HE1 TRP 48 HE1 TRP 48 -17.002 3.619 -4.207 411 HE3 TRP 48 HE3 TRP 48 -11.773 4.405 -3.777 412 HZ2 TRP 48 HZ2 TRP 48 -15.836 2.119 -2.050 413 HZ3 TRP 48 HZ3 TRP 48 -11.612 2.859 -1.849 414 HH2 TRP 48 HH2 TRP 48 -13.635 1.714 -0.986 415 H GLN 49 HN GLN 49 -14.231 3.077 -7.137 416 HA GLN 49 HA GLN 49 -12.903 1.375 -5.299 417 1HB GLN 49 HB2 GLN 49 -15.243 1.086 -6.140 418 2HB GLN 49 HB1 GLN 49 -14.587 0.564 -7.689 419 1HG GLN 49 HG2 GLN 49 -13.336 -1.256 -6.425 420 2HG GLN 49 HG1 GLN 49 -14.276 -0.804 -5.003 421 1HE2 GLN 49 HE21 GLN 49 -16.760 -0.839 -5.368 422 2HE2 GLN 49 HE22 GLN 49 -17.372 -2.047 -6.391 423 H ASN 50 HN ASN 50 -12.768 1.386 -8.877 424 HA ASN 50 HA ASN 50 -10.727 -0.677 -8.955 425 1HB ASN 50 HB2 ASN 50 -11.876 1.186 -11.038 426 2HB ASN 50 HB1 ASN 50 -10.615 0.008 -11.408 427 1HD2 ASN 50 HD21 ASN 50 -13.986 0.402 -11.237 428 2HD2 ASN 50 HD22 ASN 50 -14.422 -1.238 -11.188 429 H SER 51 HN SER 51 -10.686 2.847 -9.087 430 HA SER 51 HA SER 51 -8.047 3.216 -10.046 431 1HB SER 51 HB2 SER 51 -9.733 4.882 -8.170 432 2HB SER 51 HB1 SER 51 -8.173 5.414 -8.791 433 HG SER 51 HG SER 51 -10.410 5.763 -9.960 434 H ILE 52 HN ILE 52 -9.182 2.641 -6.726 435 HA ILE 52 HA ILE 52 -6.767 3.230 -5.372 436 HB ILE 52 HB ILE 52 -8.900 1.179 -4.772 437 1HG1 ILE 52 HG12 ILE 52 -9.402 3.757 -4.952 438 2HG1 ILE 52 HG11 ILE 52 -10.047 2.839 -3.598 439 1HG2 ILE 52 HG21 ILE 52 -7.078 0.518 -3.442 440 2HG2 ILE 52 HG22 ILE 52 -8.042 1.536 -2.372 441 3HG2 ILE 52 HG23 ILE 52 -6.590 2.182 -3.132 442 1HD1 ILE 52 HD11 ILE 52 -8.954 5.061 -3.015 443 2HD1 ILE 52 HD12 ILE 52 -7.414 4.326 -3.449 444 3HD1 ILE 52 HD13 ILE 52 -8.363 3.666 -2.119 445 H ARG 53 HN ARG 53 -7.881 0.000 -6.533 446 HA ARG 53 HA ARG 53 -5.289 -1.160 -5.832 447 1HB ARG 53 HB2 ARG 53 -6.201 -3.234 -6.796 448 2HB ARG 53 HB1 ARG 53 -7.331 -2.499 -5.661 449 1HG ARG 53 HG2 ARG 53 -8.539 -1.462 -7.573 450 2HG ARG 53 HG1 ARG 53 -7.449 -2.294 -8.681 451 1HD ARG 53 HD2 ARG 53 -8.955 -3.872 -6.595 452 2HD ARG 53 HD1 ARG 53 -9.750 -3.406 -8.101 453 HE ARG 53 HE ARG 53 -7.375 -4.528 -8.954 454 1HH1 ARG 53 HH21 ARG 53 -9.950 -5.458 -6.856 455 2HH1 ARG 53 HH22 ARG 53 -9.785 -7.150 -7.189 456 1HH2 ARG 53 HH11 ARG 53 -7.149 -6.728 -9.402 457 2HH2 ARG 53 HH12 ARG 53 -8.202 -7.868 -8.632 458 H HIS 54 HN HIS 54 -6.766 0.138 -8.743 459 HA HIS 54 HA HIS 54 -4.996 -1.018 -10.656 460 1HB HIS 54 HB2 HIS 54 -7.021 0.252 -11.285 461 2HB HIS 54 HB1 HIS 54 -6.280 1.732 -10.676 462 HD1 HIS 54 HD1 HIS 54 -4.884 -1.027 -12.927 463 HD2 HIS 54 HD2 HIS 54 -5.434 3.106 -12.912 464 HE1 HIS 54 HE1 HIS 54 -3.864 -0.159 -15.076 465 H ASN 55 HN ASN 55 -4.707 1.917 -8.666 466 HA ASN 55 HA ASN 55 -2.199 2.777 -9.767 467 1HB ASN 55 HB2 ASN 55 -3.543 3.287 -7.108 468 2HB ASN 55 HB1 ASN 55 -2.013 4.039 -7.566 469 1HD2 ASN 55 HD21 ASN 55 -2.413 4.619 -10.263 470 2HD2 ASN 55 HD22 ASN 55 -3.709 5.700 -10.442 471 H LEU 56 HN LEU 56 -3.029 0.653 -7.040 472 HA LEU 56 HA LEU 56 -0.394 0.325 -6.036 473 1HB LEU 56 HB2 LEU 56 -2.849 -1.418 -5.970 474 2HB LEU 56 HB1 LEU 56 -1.338 -1.965 -5.251 475 HG LEU 56 HG LEU 56 -2.663 0.680 -4.580 476 1HD1 LEU 56 HD11 LEU 56 -3.173 -0.593 -2.380 477 2HD1 LEU 56 HD12 LEU 56 -2.921 -2.055 -3.332 478 3HD1 LEU 56 HD13 LEU 56 -4.197 -0.921 -3.776 479 1HD2 LEU 56 HD21 LEU 56 -1.109 0.073 -2.440 480 2HD2 LEU 56 HD22 LEU 56 -0.512 0.991 -3.815 481 3HD2 LEU 56 HD23 LEU 56 -0.176 -0.733 -3.695 482 H SER 57 HN SER 57 -2.128 -1.584 -8.523 483 HA SER 57 HA SER 57 -0.005 -3.453 -8.929 484 1HB SER 57 HB2 SER 57 -2.156 -2.495 -10.833 485 2HB SER 57 HB1 SER 57 -1.087 -3.859 -11.148 486 HG SER 57 HG SER 57 -2.108 -4.109 -8.701 487 H LEU 58 HN LEU 58 -0.741 -0.381 -10.619 488 HA LEU 58 HA LEU 58 1.532 -0.592 -12.389 489 1HB LEU 58 HB2 LEU 58 -0.139 1.773 -11.514 490 2HB LEU 58 HB1 LEU 58 1.145 1.893 -12.712 491 HG LEU 58 HG LEU 58 -1.103 -0.107 -13.003 492 1HD1 LEU 58 HD11 LEU 58 -2.070 1.663 -14.602 493 2HD1 LEU 58 HD12 LEU 58 -1.021 2.815 -13.777 494 3HD1 LEU 58 HD13 LEU 58 -2.273 1.963 -12.876 495 1HD2 LEU 58 HD21 LEU 58 0.705 -0.551 -14.517 496 2HD2 LEU 58 HD22 LEU 58 0.918 1.162 -14.878 497 3HD2 LEU 58 HD23 LEU 58 -0.504 0.307 -15.465 498 H ASN 59 HN ASN 59 1.006 1.008 -9.259 499 HA ASN 59 HA ASN 59 3.633 2.235 -9.223 500 1HB ASN 59 HB2 ASN 59 1.585 1.675 -7.066 501 2HB ASN 59 HB1 ASN 59 3.119 2.477 -6.735 502 1HD2 ASN 59 HD21 ASN 59 2.501 3.470 -9.803 503 2HD2 ASN 59 HD22 ASN 59 1.596 4.871 -9.490 504 H GLU 60 HN GLU 60 5.477 1.103 -9.044 505 HA GLU 60 HA GLU 60 5.444 -1.621 -7.901 506 1HB GLU 60 HB2 GLU 60 7.618 0.000 -9.257 507 2HB GLU 60 HB1 GLU 60 7.806 -1.667 -8.709 508 1HG GLU 60 HG2 GLU 60 5.621 -0.795 -10.615 509 2HG GLU 60 HG1 GLU 60 7.182 -1.413 -11.161 510 H CYS 61 HN CYS 61 5.762 1.462 -6.699 511 HA CYS 61 HA CYS 61 8.015 1.278 -4.957 512 1HB CYS 61 HB2 CYS 61 5.400 2.788 -4.746 513 2HB CYS 61 HB1 CYS 61 6.677 2.937 -3.538 514 HG CYS 61 HG CYS 61 7.305 3.562 -6.534 515 H PHE 62 HN PHE 62 4.640 0.237 -4.559 516 HA PHE 62 HA PHE 62 5.100 -0.695 -1.826 517 1HB PHE 62 HB2 PHE 62 2.794 -1.175 -3.738 518 2HB PHE 62 HB1 PHE 62 2.805 -1.616 -2.029 519 HD1 PHE 62 HD1 PHE 62 2.197 1.016 -4.404 520 HD2 PHE 62 HD2 PHE 62 3.230 0.243 -0.307 521 HE1 PHE 62 HE1 PHE 62 1.511 3.322 -3.796 522 HE2 PHE 62 HE2 PHE 62 2.543 2.546 0.301 523 HZ PHE 62 HZ PHE 62 1.683 4.086 -1.444 524 H VAL 63 HN VAL 63 5.118 -2.919 -1.185 525 HA VAL 63 HA VAL 63 5.969 -4.820 -3.350 526 HB VAL 63 HB VAL 63 6.708 -4.794 -0.408 527 1HG1 VAL 63 HG11 VAL 63 7.390 -6.613 -2.722 528 2HG1 VAL 63 HG12 VAL 63 6.753 -7.051 -1.137 529 3HG1 VAL 63 HG13 VAL 63 8.422 -6.503 -1.297 530 1HG2 VAL 63 HG21 VAL 63 8.312 -4.090 -2.888 531 2HG2 VAL 63 HG22 VAL 63 8.965 -4.197 -1.254 532 3HG2 VAL 63 HG23 VAL 63 7.772 -2.959 -1.647 533 H LYS 64 HN LYS 64 4.506 -6.408 -3.698 534 HA LYS 64 HA LYS 64 2.377 -6.909 -1.718 535 1HB LYS 64 HB2 LYS 64 1.784 -8.689 -3.594 536 2HB LYS 64 HB1 LYS 64 1.472 -6.976 -3.864 537 1HG LYS 64 HG2 LYS 64 3.492 -6.720 -5.138 538 2HG LYS 64 HG1 LYS 64 4.051 -8.327 -4.687 539 1HD LYS 64 HD2 LYS 64 3.209 -8.569 -6.895 540 2HD LYS 64 HD1 LYS 64 1.947 -9.221 -5.853 541 1HE LYS 64 HE2 LYS 64 1.073 -7.706 -7.646 542 2HE LYS 64 HE1 LYS 64 0.669 -7.160 -6.022 543 1HZ LYS 64 HZ1 LYS 64 2.124 -5.424 -6.144 544 2HZ LYS 64 HZ2 LYS 64 1.693 -5.539 -7.783 545 3HZ LYS 64 HZ3 LYS 64 3.158 -6.205 -7.239 546 H VAL 65 HN VAL 65 2.500 -8.512 -0.235 547 HA VAL 65 HA VAL 65 4.777 -10.412 -0.381 548 HB VAL 65 HB VAL 65 2.813 -9.904 1.867 549 1HG1 VAL 65 HG11 VAL 65 5.487 -11.326 1.730 550 2HG1 VAL 65 HG12 VAL 65 3.918 -12.061 2.064 551 3HG1 VAL 65 HG13 VAL 65 4.636 -10.949 3.228 552 1HG2 VAL 65 HG21 VAL 65 5.568 -8.761 1.316 553 2HG2 VAL 65 HG22 VAL 65 4.701 -8.580 2.841 554 3HG2 VAL 65 HG23 VAL 65 4.050 -7.864 1.367 555 HA PRO 66 HA PRO 66 1.450 -13.289 -1.632 556 1HB PRO 66 HB2 PRO 66 3.009 -15.265 -2.661 557 2HB PRO 66 HB1 PRO 66 2.682 -13.760 -3.542 558 1HG PRO 66 HG2 PRO 66 5.112 -14.574 -2.029 559 2HG PRO 66 HG1 PRO 66 4.980 -13.651 -3.533 560 1HD PRO 66 HD2 PRO 66 5.411 -12.522 -1.026 561 2HD PRO 66 HD1 PRO 66 4.746 -11.644 -2.420 562 H ARG 67 HN ARG 67 0.494 -14.882 -0.392 563 HA ARG 67 HA ARG 67 1.909 -15.809 1.983 564 1HB ARG 67 HB2 ARG 67 -0.157 -16.976 2.550 565 2HB ARG 67 HB1 ARG 67 -0.518 -15.327 2.064 566 1HG ARG 67 HG2 ARG 67 -0.708 -17.708 0.184 567 2HG ARG 67 HG1 ARG 67 -2.064 -17.084 1.111 568 1HD ARG 67 HD2 ARG 67 -2.392 -15.885 -0.824 569 2HD ARG 67 HD1 ARG 67 -1.270 -14.777 -0.037 570 HE ARG 67 HE ARG 67 0.398 -16.474 -1.430 571 1HH1 ARG 67 HH21 ARG 67 -2.417 -14.624 -2.165 572 2HH1 ARG 67 HH22 ARG 67 -1.943 -14.302 -3.799 573 1HH2 ARG 67 HH11 ARG 67 1.037 -16.061 -3.559 574 2HH2 ARG 67 HH12 ARG 67 0.015 -15.114 -4.589 575 H ASP 68 HN ASP 68 2.143 -18.122 2.486 576 HA ASP 68 HA ASP 68 3.520 -19.526 0.418 577 1HB ASP 68 HB2 ASP 68 2.363 -20.484 3.051 578 2HB ASP 68 HB1 ASP 68 3.393 -21.474 2.017 579 H ASP 69 HN ASP 69 2.880 -21.553 -0.612 580 HA ASP 69 HA ASP 69 0.290 -21.476 -1.787 581 1HB ASP 69 HB2 ASP 69 2.317 -23.715 -1.559 582 2HB ASP 69 HB1 ASP 69 0.836 -23.847 -2.511 583 H LYS 70 HN LYS 70 1.503 -23.127 1.084 584 HA LYS 70 HA LYS 70 -0.688 -24.897 1.508 585 1HB LYS 70 HB2 LYS 70 1.134 -23.486 3.478 586 2HB LYS 70 HB1 LYS 70 -0.036 -24.717 3.947 587 1HG LYS 70 HG2 LYS 70 1.057 -26.336 2.438 588 2HG LYS 70 HG1 LYS 70 2.232 -25.105 1.969 589 1HD LYS 70 HD2 LYS 70 2.926 -24.906 4.356 590 2HD LYS 70 HD1 LYS 70 1.817 -26.216 4.759 591 1HE LYS 70 HE2 LYS 70 3.049 -27.792 3.449 592 2HE LYS 70 HE1 LYS 70 4.001 -26.517 2.691 593 1HZ LYS 70 HZ1 LYS 70 4.083 -26.652 5.598 594 2HZ LYS 70 HZ2 LYS 70 5.321 -26.296 4.489 595 3HZ LYS 70 HZ3 LYS 70 4.862 -27.909 4.766 596 H LYS 71 HN LYS 71 -0.297 -21.444 2.169 597 HA LYS 71 HA LYS 71 -2.711 -21.247 3.778 598 1HB LYS 71 HB2 LYS 71 -1.182 -19.097 2.290 599 2HB LYS 71 HB1 LYS 71 -2.410 -18.811 3.516 600 1HG LYS 71 HG2 LYS 71 0.030 -20.487 4.112 601 2HG LYS 71 HG1 LYS 71 0.085 -18.730 4.228 602 1HD LYS 71 HD2 LYS 71 -2.003 -18.953 5.748 603 2HD LYS 71 HD1 LYS 71 -1.584 -20.663 5.844 604 1HE LYS 71 HE2 LYS 71 0.721 -19.979 6.590 605 2HE LYS 71 HE1 LYS 71 0.149 -18.312 6.654 606 1HZ LYS 71 HZ1 LYS 71 -0.961 -18.687 8.537 607 2HZ LYS 71 HZ2 LYS 71 -0.002 -20.082 8.683 608 3HZ LYS 71 HZ3 LYS 71 -1.561 -20.185 8.015 609 HA PRO 72 HA PRO 72 -5.227 -21.082 -0.015 610 1HB PRO 72 HB2 PRO 72 -7.671 -21.237 1.074 611 2HB PRO 72 HB1 PRO 72 -6.565 -22.625 1.140 612 1HG PRO 72 HG2 PRO 72 -7.184 -20.605 3.256 613 2HG PRO 72 HG1 PRO 72 -7.043 -22.367 3.397 614 1HD PRO 72 HD2 PRO 72 -4.998 -20.607 4.037 615 2HD PRO 72 HD1 PRO 72 -4.738 -22.299 3.554 616 H GLY 73 HN GLY 73 -4.516 -18.698 1.945 617 1HA GLY 73 HA2 GLY 73 -6.470 -16.767 2.123 618 2HA GLY 73 HA1 GLY 73 -4.796 -16.363 1.750 619 H LYS 74 HN LYS 74 -6.741 -14.763 0.731 620 HA LYS 74 HA LYS 74 -7.459 -15.591 -1.987 621 1HB LYS 74 HB2 LYS 74 -7.789 -13.014 -0.453 622 2HB LYS 74 HB1 LYS 74 -8.319 -13.213 -2.123 623 1HG LYS 74 HG2 LYS 74 -9.727 -15.143 -1.412 624 2HG LYS 74 HG1 LYS 74 -9.260 -14.838 0.259 625 1HD LYS 74 HD2 LYS 74 -10.481 -12.644 -1.414 626 2HD LYS 74 HD1 LYS 74 -11.506 -13.833 -0.614 627 1HE LYS 74 HE2 LYS 74 -9.487 -12.017 0.744 628 2HE LYS 74 HE1 LYS 74 -11.240 -11.868 0.819 629 1HZ LYS 74 HZ1 LYS 74 -11.210 -13.244 2.532 630 2HZ LYS 74 HZ2 LYS 74 -9.539 -13.500 2.368 631 3HZ LYS 74 HZ3 LYS 74 -10.638 -14.477 1.517 632 H GLY 75 HN GLY 75 -6.540 -12.360 -1.788 633 1HA GLY 75 HA2 GLY 75 -4.442 -12.757 -3.795 634 2HA GLY 75 HA1 GLY 75 -5.037 -11.202 -3.211 635 H SER 76 HN SER 76 -2.461 -11.118 -3.405 636 HA SER 76 HA SER 76 -1.032 -12.197 -1.094 637 1HB SER 76 HB2 SER 76 0.878 -10.935 -2.002 638 2HB SER 76 HB1 SER 76 0.086 -11.854 -3.278 639 HG SER 76 HG SER 76 -0.176 -9.094 -2.681 640 H TYR 77 HN TYR 77 0.070 -10.747 0.485 641 HA TYR 77 HA TYR 77 -1.756 -8.576 1.325 642 1HB TYR 77 HB2 TYR 77 0.752 -9.338 2.809 643 2HB TYR 77 HB1 TYR 77 -0.775 -8.723 3.438 644 HD1 TYR 77 HD1 TYR 77 -2.810 -10.415 2.273 645 HD2 TYR 77 HD2 TYR 77 1.105 -11.478 3.691 646 HE1 TYR 77 HE1 TYR 77 -3.589 -12.730 2.688 647 HE2 TYR 77 HE2 TYR 77 0.325 -13.796 4.104 648 HH TYR 77 HH TYR 77 -1.993 -14.889 4.593 649 H TRP 78 HN TRP 78 -0.987 -6.435 1.778 650 HA TRP 78 HA TRP 78 1.382 -5.642 0.117 651 1HB TRP 78 HB2 TRP 78 -1.083 -4.084 0.944 652 2HB TRP 78 HB1 TRP 78 0.260 -3.426 0.006 653 HD1 TRP 78 HD1 TRP 78 -2.606 -5.946 -0.214 654 HE1 TRP 78 HE1 TRP 78 -3.009 -6.529 -2.693 655 HE3 TRP 78 HE3 TRP 78 1.344 -3.511 -2.341 656 HZ2 TRP 78 HZ2 TRP 78 -1.806 -6.026 -5.245 657 HZ3 TRP 78 HZ3 TRP 78 1.693 -3.580 -4.792 658 HH2 TRP 78 HH2 TRP 78 0.124 -4.828 -6.245 659 H THR 79 HN THR 79 3.022 -4.517 1.089 660 HA THR 79 HA THR 79 2.614 -3.353 3.790 661 HB THR 79 HB THR 79 3.423 -5.716 4.096 662 HG1 THR 79 HG1 THR 79 4.235 -3.545 5.207 663 1HG2 THR 79 HG21 THR 79 5.992 -4.732 2.845 664 2HG2 THR 79 HG22 THR 79 4.786 -5.642 1.934 665 3HG2 THR 79 HG23 THR 79 5.578 -6.377 3.327 666 H LEU 80 HN LEU 80 4.411 -1.888 4.366 667 HA LEU 80 HA LEU 80 5.385 -0.456 2.008 668 1HB LEU 80 HB2 LEU 80 5.916 0.017 4.959 669 2HB LEU 80 HB1 LEU 80 6.332 1.127 3.655 670 HG LEU 80 HG LEU 80 3.521 0.198 4.314 671 1HD1 LEU 80 HD11 LEU 80 5.069 2.703 4.989 672 2HD1 LEU 80 HD12 LEU 80 4.173 1.642 6.076 673 3HD1 LEU 80 HD13 LEU 80 3.307 2.685 4.949 674 1HD2 LEU 80 HD21 LEU 80 3.425 0.759 2.047 675 2HD2 LEU 80 HD22 LEU 80 4.709 1.961 2.180 676 3HD2 LEU 80 HD23 LEU 80 3.095 2.322 2.788 677 H ASP 81 HN ASP 81 7.739 0.120 1.824 678 HA ASP 81 HA ASP 81 9.334 -2.207 1.657 679 1HB ASP 81 HB2 ASP 81 11.214 -0.633 1.251 680 2HB ASP 81 HB1 ASP 81 9.774 -0.162 0.353 681 HA PRO 82 HA PRO 82 10.887 -2.909 5.768 682 1HB PRO 82 HB2 PRO 82 13.696 -2.760 4.741 683 2HB PRO 82 HB1 PRO 82 12.898 -4.054 5.654 684 1HG PRO 82 HG2 PRO 82 13.385 -4.301 3.051 685 2HG PRO 82 HG1 PRO 82 11.899 -4.942 3.775 686 1HD PRO 82 HD2 PRO 82 12.271 -2.482 2.105 687 2HD PRO 82 HD1 PRO 82 10.907 -3.619 2.163 688 H ASP 83 HN ASP 83 13.671 -1.938 6.494 689 HA ASP 83 HA ASP 83 12.847 0.725 7.410 690 1HB ASP 83 HB2 ASP 83 15.400 -0.869 7.795 691 2HB ASP 83 HB1 ASP 83 15.093 0.703 8.534 692 H SER 84 HN SER 84 12.956 0.663 4.637 693 HA SER 84 HA SER 84 15.398 1.380 3.411 694 1HB SER 84 HB2 SER 84 13.321 0.952 2.141 695 2HB SER 84 HB1 SER 84 12.616 2.428 2.794 696 HG SER 84 HG SER 84 15.091 2.435 1.434 697 H TYR 85 HN TYR 85 13.339 3.165 5.561 698 HA TYR 85 HA TYR 85 14.147 5.823 4.958 699 1HB TYR 85 HB2 TYR 85 12.286 5.365 6.467 700 2HB TYR 85 HB1 TYR 85 13.368 4.568 7.607 701 HD1 TYR 85 HD1 TYR 85 12.547 7.833 6.022 702 HD2 TYR 85 HD2 TYR 85 14.688 5.815 9.151 703 HE1 TYR 85 HE1 TYR 85 13.026 10.014 7.103 704 HE2 TYR 85 HE2 TYR 85 15.170 7.995 10.229 705 HH TYR 85 HH TYR 85 15.247 10.293 9.774 706 H ASN 86 HN ASN 86 15.638 3.335 7.016 707 HA ASN 86 HA ASN 86 17.708 5.053 8.027 708 1HB ASN 86 HB2 ASN 86 17.005 2.788 8.983 709 2HB ASN 86 HB1 ASN 86 17.912 2.058 7.658 710 1HD2 ASN 86 HD21 ASN 86 20.230 2.118 7.761 711 2HD2 ASN 86 HD22 ASN 86 21.073 2.717 9.107 712 H MET 87 HN MET 87 17.156 3.487 5.062 713 HA MET 87 HA MET 87 19.987 3.617 4.212 714 1HB MET 87 HB2 MET 87 17.465 2.733 2.778 715 2HB MET 87 HB1 MET 87 19.067 2.729 2.043 716 1HG MET 87 HG2 MET 87 19.875 1.199 3.802 717 2HG MET 87 HG1 MET 87 18.274 1.201 4.540 718 1HE MET 87 HE1 MET 87 19.601 -1.193 4.118 719 2HE MET 87 HE2 MET 87 18.905 -2.300 2.939 720 3HE MET 87 HE3 MET 87 17.891 -1.632 4.216 721 H PHE 88 HN PHE 88 20.655 5.693 3.707 722 HA PHE 88 HA PHE 88 18.822 7.742 2.813 723 1HB PHE 88 HB2 PHE 88 21.851 7.592 2.622 724 2HB PHE 88 HB1 PHE 88 20.892 9.043 2.335 725 HD1 PHE 88 HD1 PHE 88 19.081 9.515 4.303 726 HD2 PHE 88 HD2 PHE 88 22.776 7.363 4.759 727 HE1 PHE 88 HE1 PHE 88 19.058 9.986 6.735 728 HE2 PHE 88 HE2 PHE 88 22.750 7.839 7.191 729 HZ PHE 88 HZ PHE 88 20.892 9.150 8.179 730 H GLU 89 HN GLU 89 21.116 5.590 1.198 731 HA GLU 89 HA GLU 89 19.647 5.977 -1.355 732 1HB GLU 89 HB2 GLU 89 22.655 6.256 -1.036 733 2HB GLU 89 HB1 GLU 89 21.817 6.146 -2.584 734 1HG GLU 89 HG2 GLU 89 20.531 8.181 -2.033 735 2HG GLU 89 HG1 GLU 89 21.375 8.291 -0.488 736 H ASN 90 HN ASN 90 19.961 4.114 -2.796 737 HA ASN 90 HA ASN 90 20.129 1.625 -1.420 738 1HB ASN 90 HB2 ASN 90 20.366 2.315 -4.357 739 2HB ASN 90 HB1 ASN 90 20.396 0.653 -3.764 740 1HD2 ASN 90 HD21 ASN 90 18.465 0.511 -1.859 741 2HD2 ASN 90 HD22 ASN 90 16.950 0.985 -2.461 742 H GLY 91 HN GLY 91 21.835 0.184 -1.129 743 1HA GLY 91 HA2 GLY 91 24.073 -0.640 -1.393 744 2HA GLY 91 HA1 GLY 91 24.488 0.825 -2.286 745 H SER 92 HN SER 92 22.829 2.055 0.176 746 HA SER 92 HA SER 92 25.094 3.096 1.557 747 1HB SER 92 HB2 SER 92 22.872 4.185 1.583 748 2HB SER 92 HB1 SER 92 22.234 2.849 2.539 749 HG SER 92 HG SER 92 23.841 3.386 4.122 750 H PHE 93 HN PHE 93 22.997 0.321 2.237 751 HA PHE 93 HA PHE 93 23.747 -0.381 4.819 752 1HB PHE 93 HB2 PHE 93 22.158 -1.658 3.346 753 2HB PHE 93 HB1 PHE 93 23.553 -2.335 2.507 754 HD1 PHE 93 HD1 PHE 93 21.634 -2.294 5.645 755 HD2 PHE 93 HD2 PHE 93 25.056 -3.917 3.619 756 HE1 PHE 93 HE1 PHE 93 21.858 -4.024 7.409 757 HE2 PHE 93 HE2 PHE 93 25.279 -5.648 5.383 758 HZ PHE 93 HZ PHE 93 23.681 -5.701 7.277 759 H LEU 94 HN LEU 94 25.793 -0.079 2.115 760 HA LEU 94 HA LEU 94 27.795 -2.015 2.641 761 1HB LEU 94 HB2 LEU 94 27.709 -0.673 0.573 762 2HB LEU 94 HB1 LEU 94 28.094 0.778 1.496 763 HG LEU 94 HG LEU 94 30.264 -0.242 2.160 764 1HD1 LEU 94 HD11 LEU 94 29.977 -2.566 2.110 765 2HD1 LEU 94 HD12 LEU 94 30.904 -2.284 0.640 766 3HD1 LEU 94 HD13 LEU 94 29.160 -2.534 0.546 767 1HD2 LEU 94 HD21 LEU 94 29.797 -0.271 -0.835 768 2HD2 LEU 94 HD22 LEU 94 31.336 0.000 -0.015 769 3HD2 LEU 94 HD23 LEU 94 30.040 1.188 0.127 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -24.714 17.755 0.196 2 2H MET 1 HT2 MET 1 -24.661 17.011 -1.330 3 3H MET 1 HT3 MET 1 -23.241 17.634 -0.635 4 HA MET 1 HA MET 1 -24.704 15.606 0.877 5 1HB MET 1 HB2 MET 1 -23.054 15.072 -1.611 6 2HB MET 1 HB1 MET 1 -23.434 13.838 -0.409 7 1HG MET 1 HG2 MET 1 -25.847 14.234 -0.764 8 2HG MET 1 HG1 MET 1 -25.465 15.452 -1.979 9 1HE MET 1 HE1 MET 1 -22.895 13.963 -3.664 10 2HE MET 1 HE2 MET 1 -24.146 15.185 -3.884 11 3HE MET 1 HE3 MET 1 -24.111 13.770 -4.933 12 H LEU 2 HN LEU 2 -22.380 13.951 1.034 13 HA LEU 2 HA LEU 2 -20.797 15.530 2.902 14 1HB LEU 2 HB2 LEU 2 -20.373 12.721 1.836 15 2HB LEU 2 HB1 LEU 2 -19.536 13.426 3.217 16 HG LEU 2 HG LEU 2 -22.547 13.111 3.036 17 1HD1 LEU 2 HD11 LEU 2 -20.515 11.423 4.518 18 2HD1 LEU 2 HD12 LEU 2 -21.373 10.927 3.061 19 3HD1 LEU 2 HD13 LEU 2 -22.264 11.207 4.558 20 1HD2 LEU 2 HD21 LEU 2 -22.182 13.348 5.618 21 2HD2 LEU 2 HD22 LEU 2 -22.130 14.801 4.627 22 3HD2 LEU 2 HD23 LEU 2 -20.629 14.053 5.171 23 H VAL 3 HN VAL 3 -18.448 15.807 2.700 24 HA VAL 3 HA VAL 3 -17.613 16.211 -0.150 25 HB VAL 3 HB VAL 3 -16.025 17.859 0.757 26 1HG1 VAL 3 HG11 VAL 3 -18.178 18.743 0.155 27 2HG1 VAL 3 HG12 VAL 3 -17.743 19.470 1.701 28 3HG1 VAL 3 HG13 VAL 3 -18.906 18.145 1.647 29 1HG2 VAL 3 HG21 VAL 3 -16.344 18.467 3.223 30 2HG2 VAL 3 HG22 VAL 3 -15.499 16.952 2.904 31 3HG2 VAL 3 HG23 VAL 3 -17.194 16.931 3.389 32 H LYS 4 HN LYS 4 -15.616 15.404 -0.843 33 HA LYS 4 HA LYS 4 -14.619 13.075 0.532 34 1HB LYS 4 HB2 LYS 4 -12.910 13.038 -1.262 35 2HB LYS 4 HB1 LYS 4 -14.524 13.293 -1.919 36 1HG LYS 4 HG2 LYS 4 -14.054 15.777 -1.871 37 2HG LYS 4 HG1 LYS 4 -12.383 15.384 -1.460 38 1HD LYS 4 HD2 LYS 4 -12.055 14.215 -3.529 39 2HD LYS 4 HD1 LYS 4 -13.779 14.253 -3.899 40 1HE LYS 4 HE2 LYS 4 -12.684 15.964 -5.218 41 2HE LYS 4 HE1 LYS 4 -13.648 16.758 -3.973 42 1HZ LYS 4 HZ1 LYS 4 -11.824 17.490 -2.900 43 2HZ LYS 4 HZ2 LYS 4 -11.097 17.322 -4.427 44 3HZ LYS 4 HZ3 LYS 4 -10.909 16.106 -3.254 45 HA PRO 5 HA PRO 5 -11.680 15.144 3.149 46 1HB PRO 5 HB2 PRO 5 -9.941 13.168 3.727 47 2HB PRO 5 HB1 PRO 5 -11.626 13.113 4.282 48 1HG PRO 5 HG2 PRO 5 -10.385 11.778 1.910 49 2HG PRO 5 HG1 PRO 5 -11.468 11.095 3.138 50 1HD PRO 5 HD2 PRO 5 -12.374 11.931 0.702 51 2HD PRO 5 HD1 PRO 5 -13.371 12.022 2.171 52 HA PRO 6 HA PRO 6 -8.273 16.558 0.678 53 1HB PRO 6 HB2 PRO 6 -6.490 17.388 2.557 54 2HB PRO 6 HB1 PRO 6 -8.040 18.211 2.294 55 1HG PRO 6 HG2 PRO 6 -7.318 16.183 4.372 56 2HG PRO 6 HG1 PRO 6 -8.188 17.719 4.561 57 1HD PRO 6 HD2 PRO 6 -9.494 15.338 4.403 58 2HD PRO 6 HD1 PRO 6 -10.191 16.839 3.754 59 H TYR 7 HN TYR 7 -8.195 13.585 1.420 60 HA TYR 7 HA TYR 7 -5.217 13.192 1.404 61 1HB TYR 7 HB2 TYR 7 -7.361 11.126 1.965 62 2HB TYR 7 HB1 TYR 7 -5.625 10.944 2.192 63 HD1 TYR 7 HD1 TYR 7 -4.622 13.118 3.632 64 HD2 TYR 7 HD2 TYR 7 -8.535 11.372 3.958 65 HE1 TYR 7 HE1 TYR 7 -4.837 14.022 5.929 66 HE2 TYR 7 HE2 TYR 7 -8.755 12.290 6.246 67 HH TYR 7 HH TYR 7 -7.223 14.630 7.449 68 H SER 8 HN SER 8 -4.307 12.321 -0.402 69 HA SER 8 HA SER 8 -5.998 11.931 -2.758 70 1HB SER 8 HB2 SER 8 -3.885 11.563 -3.943 71 2HB SER 8 HB1 SER 8 -3.749 12.988 -2.915 72 HG SER 8 HG SER 8 -2.090 11.982 -2.113 73 H TYR 9 HN TYR 9 -5.418 9.855 -4.120 74 HA TYR 9 HA TYR 9 -6.405 7.588 -2.712 75 1HB TYR 9 HB2 TYR 9 -4.826 7.715 -5.297 76 2HB TYR 9 HB1 TYR 9 -5.711 6.302 -4.723 77 HD1 TYR 9 HD1 TYR 9 -5.960 9.578 -6.292 78 HD2 TYR 9 HD2 TYR 9 -8.199 6.409 -4.450 79 HE1 TYR 9 HE1 TYR 9 -8.053 10.495 -7.258 80 HE2 TYR 9 HE2 TYR 9 -10.294 7.325 -5.415 81 HH TYR 9 HH TYR 9 -10.567 10.385 -6.638 82 H ILE 10 HN ILE 10 -3.083 8.630 -3.395 83 HA ILE 10 HA ILE 10 -1.834 6.188 -2.510 84 HB ILE 10 HB ILE 10 -0.728 9.015 -2.538 85 1HG1 ILE 10 HG12 ILE 10 -1.498 8.401 -4.760 86 2HG1 ILE 10 HG11 ILE 10 0.260 8.315 -4.728 87 1HG2 ILE 10 HG21 ILE 10 0.650 6.313 -2.490 88 2HG2 ILE 10 HG22 ILE 10 0.635 7.495 -1.182 89 3HG2 ILE 10 HG23 ILE 10 1.468 7.861 -2.690 90 1HD1 ILE 10 HD11 ILE 10 -0.171 5.778 -4.119 91 2HD1 ILE 10 HD12 ILE 10 -0.277 6.317 -5.793 92 3HD1 ILE 10 HD13 ILE 10 -1.747 6.087 -4.849 93 H ALA 11 HN ALA 11 -2.673 9.214 -0.820 94 HA ALA 11 HA ALA 11 -1.377 8.479 1.646 95 1HB ALA 11 HB1 ALA 11 -1.900 10.808 1.188 96 2HB ALA 11 HB2 ALA 11 -2.782 10.304 2.629 97 3HB ALA 11 HB3 ALA 11 -3.621 10.440 1.084 98 H LEU 12 HN LEU 12 -4.724 8.089 0.487 99 HA LEU 12 HA LEU 12 -5.821 7.153 2.944 100 1HB LEU 12 HB2 LEU 12 -6.533 6.484 0.073 101 2HB LEU 12 HB1 LEU 12 -7.508 5.997 1.457 102 HG LEU 12 HG LEU 12 -6.758 8.878 0.887 103 1HD1 LEU 12 HD11 LEU 12 -9.342 7.442 0.212 104 2HD1 LEU 12 HD12 LEU 12 -8.104 7.886 -0.963 105 3HD1 LEU 12 HD13 LEU 12 -8.977 9.142 -0.087 106 1HD2 LEU 12 HD21 LEU 12 -7.432 8.764 3.139 107 2HD2 LEU 12 HD22 LEU 12 -8.603 7.482 2.830 108 3HD2 LEU 12 HD23 LEU 12 -8.945 9.132 2.320 109 H ILE 13 HN ILE 13 -4.134 5.479 0.329 110 HA ILE 13 HA ILE 13 -4.435 2.818 1.392 111 HB ILE 13 HB ILE 13 -2.308 4.017 -0.403 112 1HG1 ILE 13 HG12 ILE 13 -4.720 2.352 -1.165 113 2HG1 ILE 13 HG11 ILE 13 -4.762 4.110 -1.137 114 1HG2 ILE 13 HG21 ILE 13 -1.425 1.967 0.409 115 2HG2 ILE 13 HG22 ILE 13 -2.133 1.564 -1.155 116 3HG2 ILE 13 HG23 ILE 13 -2.996 1.168 0.332 117 1HD1 ILE 13 HD11 ILE 13 -4.196 3.720 -3.359 118 2HD1 ILE 13 HD12 ILE 13 -3.262 2.275 -2.979 119 3HD1 ILE 13 HD13 ILE 13 -2.591 3.872 -2.654 120 H THR 14 HN THR 14 -1.964 5.339 1.737 121 HA THR 14 HA THR 14 -0.093 3.777 3.233 122 HB THR 14 HB THR 14 -0.555 6.766 3.233 123 HG1 THR 14 HG1 THR 14 0.470 5.018 1.444 124 1HG2 THR 14 HG21 THR 14 1.925 6.738 3.862 125 2HG2 THR 14 HG22 THR 14 1.702 5.031 4.239 126 3HG2 THR 14 HG23 THR 14 0.794 6.255 5.126 127 H MET 15 HN MET 15 -2.783 5.865 4.253 128 HA MET 15 HA MET 15 -2.195 5.648 7.069 129 1HB MET 15 HB2 MET 15 -4.710 6.397 5.566 130 2HB MET 15 HB1 MET 15 -4.590 6.446 7.325 131 1HG MET 15 HG2 MET 15 -2.585 7.955 7.066 132 2HG MET 15 HG1 MET 15 -2.925 8.018 5.338 133 1HE MET 15 HE1 MET 15 -4.800 8.913 4.239 134 2HE MET 15 HE2 MET 15 -6.095 9.913 4.893 135 3HE MET 15 HE3 MET 15 -6.145 8.166 5.112 136 H ALA 16 HN ALA 16 -4.308 3.857 4.864 137 HA ALA 16 HA ALA 16 -5.655 2.258 6.777 138 1HB ALA 16 HB1 ALA 16 -4.772 1.669 3.941 139 2HB ALA 16 HB2 ALA 16 -6.358 2.230 4.471 140 3HB ALA 16 HB3 ALA 16 -5.821 0.597 4.870 141 H ILE 17 HN ILE 17 -2.591 1.623 5.047 142 HA ILE 17 HA ILE 17 -2.020 -0.888 6.267 143 HB ILE 17 HB ILE 17 -0.092 1.267 5.335 144 1HG1 ILE 17 HG12 ILE 17 -1.096 -1.159 3.829 145 2HG1 ILE 17 HG11 ILE 17 -1.853 0.428 3.695 146 1HG2 ILE 17 HG21 ILE 17 1.428 -0.703 4.992 147 2HG2 ILE 17 HG22 ILE 17 0.239 -1.710 5.820 148 3HG2 ILE 17 HG23 ILE 17 1.046 -0.403 6.688 149 1HD1 ILE 17 HD11 ILE 17 0.247 1.407 2.918 150 2HD1 ILE 17 HD12 ILE 17 -0.173 0.029 1.898 151 3HD1 ILE 17 HD13 ILE 17 1.071 -0.138 3.136 152 H GLN 18 HN GLN 18 -0.973 2.396 7.146 153 HA GLN 18 HA GLN 18 0.445 1.684 9.515 154 1HB GLN 18 HB2 GLN 18 -0.964 4.235 8.698 155 2HB GLN 18 HB1 GLN 18 -0.041 4.096 10.194 156 1HG GLN 18 HG2 GLN 18 1.108 3.448 7.467 157 2HG GLN 18 HG1 GLN 18 1.265 5.027 8.238 158 1HE2 GLN 18 HE21 GLN 18 3.086 2.381 7.744 159 2HE2 GLN 18 HE22 GLN 18 3.955 2.315 9.200 160 H ASN 19 HN ASN 19 -2.971 2.502 9.007 161 HA ASN 19 HA ASN 19 -3.655 2.463 11.808 162 1HB ASN 19 HB2 ASN 19 -5.328 2.156 9.299 163 2HB ASN 19 HB1 ASN 19 -6.012 2.252 10.922 164 1HD2 ASN 19 HD21 ASN 19 -3.290 4.108 11.122 165 2HD2 ASN 19 HD22 ASN 19 -3.938 5.625 10.717 166 H ALA 20 HN ALA 20 -3.022 -0.008 9.506 167 HA ALA 20 HA ALA 20 -4.660 -2.051 10.774 168 1HB ALA 20 HB1 ALA 20 -2.277 -2.575 8.984 169 2HB ALA 20 HB2 ALA 20 -3.805 -1.981 8.332 170 3HB ALA 20 HB3 ALA 20 -3.748 -3.534 9.163 171 HA PRO 21 HA PRO 21 -1.757 -3.111 14.004 172 1HB PRO 21 HB2 PRO 21 -2.311 -5.793 14.320 173 2HB PRO 21 HB1 PRO 21 -3.364 -4.505 14.933 174 1HG PRO 21 HG2 PRO 21 -3.625 -6.126 12.438 175 2HG PRO 21 HG1 PRO 21 -4.874 -5.628 13.593 176 1HD PRO 21 HD2 PRO 21 -4.515 -4.343 11.225 177 2HD PRO 21 HD1 PRO 21 -5.049 -3.486 12.689 178 H GLU 22 HN GLU 22 -2.024 -5.597 11.460 179 HA GLU 22 HA GLU 22 0.938 -5.972 11.504 180 1HB GLU 22 HB2 GLU 22 -1.314 -7.552 10.214 181 2HB GLU 22 HB1 GLU 22 0.396 -7.917 9.986 182 1HG GLU 22 HG2 GLU 22 0.659 -8.242 12.415 183 2HG GLU 22 HG1 GLU 22 -1.049 -7.867 12.653 184 H LYS 23 HN LYS 23 2.144 -5.352 9.678 185 HA LYS 23 HA LYS 23 0.977 -3.377 7.942 186 1HB LYS 23 HB2 LYS 23 3.562 -4.914 7.531 187 2HB LYS 23 HB1 LYS 23 3.132 -3.369 6.802 188 1HG LYS 23 HG2 LYS 23 3.419 -3.842 9.784 189 2HG LYS 23 HG1 LYS 23 4.659 -3.122 8.759 190 1HD LYS 23 HD2 LYS 23 2.832 -1.416 8.081 191 2HD LYS 23 HD1 LYS 23 1.950 -2.004 9.492 192 1HE LYS 23 HE2 LYS 23 4.089 -1.568 10.829 193 2HE LYS 23 HE1 LYS 23 4.654 -0.661 9.425 194 1HZ LYS 23 HZ1 LYS 23 3.604 1.002 10.511 195 2HZ LYS 23 HZ2 LYS 23 2.521 -0.034 11.311 196 3HZ LYS 23 HZ3 LYS 23 2.254 0.389 9.688 197 H LYS 24 HN LYS 24 1.378 -6.851 7.667 198 HA LYS 24 HA LYS 24 0.899 -6.870 4.784 199 1HB LYS 24 HB2 LYS 24 0.758 -9.109 6.830 200 2HB LYS 24 HB1 LYS 24 0.728 -9.325 5.079 201 1HG LYS 24 HG2 LYS 24 2.947 -8.264 4.905 202 2HG LYS 24 HG1 LYS 24 2.983 -8.050 6.655 203 1HD LYS 24 HD2 LYS 24 2.845 -10.494 6.960 204 2HD LYS 24 HD1 LYS 24 2.811 -10.710 5.210 205 1HE LYS 24 HE2 LYS 24 5.089 -11.048 5.903 206 2HE LYS 24 HE1 LYS 24 5.023 -9.468 5.122 207 1HZ LYS 24 HZ1 LYS 24 6.179 -9.063 7.069 208 2HZ LYS 24 HZ2 LYS 24 5.203 -10.099 7.998 209 3HZ LYS 24 HZ3 LYS 24 4.599 -8.600 7.476 210 H ILE 25 HN ILE 25 -1.060 -6.382 3.983 211 HA ILE 25 HA ILE 25 -3.500 -7.426 5.354 212 HB ILE 25 HB ILE 25 -3.246 -5.057 5.988 213 1HG1 ILE 25 HG12 ILE 25 -5.384 -5.274 3.857 214 2HG1 ILE 25 HG11 ILE 25 -5.507 -6.109 5.406 215 1HG2 ILE 25 HG21 ILE 25 -3.248 -3.309 4.279 216 2HG2 ILE 25 HG22 ILE 25 -3.309 -4.523 3.002 217 3HG2 ILE 25 HG23 ILE 25 -1.876 -4.387 4.022 218 1HD1 ILE 25 HD11 ILE 25 -5.302 -3.958 6.592 219 2HD1 ILE 25 HD12 ILE 25 -6.667 -3.927 5.476 220 3HD1 ILE 25 HD13 ILE 25 -5.160 -3.115 5.050 221 H THR 26 HN THR 26 -5.291 -7.741 3.896 222 HA THR 26 HA THR 26 -4.433 -8.458 1.195 223 HB THR 26 HB THR 26 -6.841 -9.164 0.955 224 HG1 THR 26 HG1 THR 26 -7.091 -7.545 3.010 225 1HG2 THR 26 HG21 THR 26 -6.682 -10.930 2.782 226 2HG2 THR 26 HG22 THR 26 -5.213 -10.116 3.319 227 3HG2 THR 26 HG23 THR 26 -5.289 -10.824 1.706 228 H LEU 27 HN LEU 27 -5.372 -7.593 -0.746 229 HA LEU 27 HA LEU 27 -5.583 -4.764 -0.816 230 1HB LEU 27 HB2 LEU 27 -4.950 -6.081 -2.778 231 2HB LEU 27 HB1 LEU 27 -6.527 -6.857 -2.804 232 HG LEU 27 HG LEU 27 -7.617 -4.838 -3.476 233 1HD1 LEU 27 HD11 LEU 27 -6.211 -2.708 -3.735 234 2HD1 LEU 27 HD12 LEU 27 -5.019 -3.500 -2.704 235 3HD1 LEU 27 HD13 LEU 27 -6.639 -3.166 -2.090 236 1HD2 LEU 27 HD21 LEU 27 -4.944 -4.999 -4.894 237 2HD2 LEU 27 HD22 LEU 27 -6.403 -4.240 -5.533 238 3HD2 LEU 27 HD23 LEU 27 -6.362 -5.982 -5.260 239 H ASN 28 HN ASN 28 -8.103 -7.280 -0.846 240 HA ASN 28 HA ASN 28 -10.353 -5.557 -1.094 241 1HB ASN 28 HB2 ASN 28 -10.038 -8.245 0.256 242 2HB ASN 28 HB1 ASN 28 -11.594 -7.438 0.055 243 1HD2 ASN 28 HD21 ASN 28 -11.167 -6.311 -2.553 244 2HD2 ASN 28 HD22 ASN 28 -11.059 -7.585 -3.670 245 H GLY 29 HN GLY 29 -8.577 -6.639 1.791 246 1HA GLY 29 HA2 GLY 29 -10.352 -5.590 3.739 247 2HA GLY 29 HA1 GLY 29 -8.627 -5.839 3.993 248 H ILE 30 HN ILE 30 -7.653 -3.995 2.035 249 HA ILE 30 HA ILE 30 -7.675 -1.590 3.547 250 HB ILE 30 HB ILE 30 -6.985 -2.036 0.629 251 1HG1 ILE 30 HG12 ILE 30 -5.187 -1.727 3.049 252 2HG1 ILE 30 HG11 ILE 30 -5.685 -3.293 2.411 253 1HG2 ILE 30 HG21 ILE 30 -5.639 0.095 0.996 254 2HG2 ILE 30 HG22 ILE 30 -6.566 0.325 2.478 255 3HG2 ILE 30 HG23 ILE 30 -7.386 0.316 0.918 256 1HD1 ILE 30 HD11 ILE 30 -3.485 -2.635 1.508 257 2HD1 ILE 30 HD12 ILE 30 -4.194 -1.155 0.861 258 3HD1 ILE 30 HD13 ILE 30 -4.692 -2.723 0.226 259 H TYR 31 HN TYR 31 -9.561 -2.494 0.652 260 HA TYR 31 HA TYR 31 -10.800 0.037 0.250 261 1HB TYR 31 HB2 TYR 31 -11.637 -2.800 -0.345 262 2HB TYR 31 HB1 TYR 31 -12.717 -1.456 -0.703 263 HD1 TYR 31 HD1 TYR 31 -11.535 0.604 -1.939 264 HD2 TYR 31 HD2 TYR 31 -10.127 -3.455 -2.009 265 HE1 TYR 31 HE1 TYR 31 -10.266 1.073 -4.011 266 HE2 TYR 31 HE2 TYR 31 -8.863 -2.978 -4.083 267 HH TYR 31 HH TYR 31 -7.861 -0.903 -5.166 268 H GLN 32 HN GLN 32 -11.778 -2.700 2.295 269 HA GLN 32 HA GLN 32 -14.283 -1.657 3.120 270 1HB GLN 32 HB2 GLN 32 -12.299 -3.477 4.493 271 2HB GLN 32 HB1 GLN 32 -13.905 -3.147 5.142 272 1HG GLN 32 HG2 GLN 32 -13.419 -4.202 2.344 273 2HG GLN 32 HG1 GLN 32 -13.751 -5.243 3.729 274 1HE2 GLN 32 HE21 GLN 32 -15.899 -5.072 4.742 275 2HE2 GLN 32 HE22 GLN 32 -17.200 -4.378 3.902 276 H PHE 33 HN PHE 33 -11.025 -1.166 4.464 277 HA PHE 33 HA PHE 33 -11.813 0.290 6.778 278 1HB PHE 33 HB2 PHE 33 -9.525 -0.565 6.437 279 2HB PHE 33 HB1 PHE 33 -9.290 0.588 5.124 280 HD1 PHE 33 HD1 PHE 33 -9.638 0.176 8.764 281 HD2 PHE 33 HD2 PHE 33 -9.063 2.986 5.568 282 HE1 PHE 33 HE1 PHE 33 -8.976 1.909 10.409 283 HE2 PHE 33 HE2 PHE 33 -8.401 4.720 7.214 284 HZ PHE 33 HZ PHE 33 -8.357 4.181 9.635 285 H ILE 34 HN ILE 34 -11.011 1.447 3.491 286 HA ILE 34 HA ILE 34 -11.218 4.227 4.031 287 HB ILE 34 HB ILE 34 -11.758 2.633 1.516 288 1HG1 ILE 34 HG12 ILE 34 -9.428 4.418 2.263 289 2HG1 ILE 34 HG11 ILE 34 -9.444 2.681 2.568 290 1HG2 ILE 34 HG21 ILE 34 -12.947 4.684 1.187 291 2HG2 ILE 34 HG22 ILE 34 -11.390 4.904 0.390 292 3HG2 ILE 34 HG23 ILE 34 -11.678 5.624 1.972 293 1HD1 ILE 34 HD11 ILE 34 -8.329 2.987 0.469 294 2HD1 ILE 34 HD12 ILE 34 -9.583 4.085 -0.110 295 3HD1 ILE 34 HD13 ILE 34 -9.936 2.368 0.090 296 H MET 35 HN MET 35 -13.749 2.003 2.790 297 HA MET 35 HA MET 35 -15.795 3.997 2.750 298 1HB MET 35 HB2 MET 35 -15.948 0.981 2.967 299 2HB MET 35 HB1 MET 35 -17.371 2.015 2.804 300 1HG MET 35 HG2 MET 35 -16.462 2.949 0.711 301 2HG MET 35 HG1 MET 35 -15.039 1.924 0.864 302 1HE MET 35 HE1 MET 35 -16.301 -1.044 1.799 303 2HE MET 35 HE2 MET 35 -14.925 -0.392 0.912 304 3HE MET 35 HE3 MET 35 -16.012 -1.530 0.123 305 H ASP 36 HN ASP 36 -14.734 1.744 5.280 306 HA ASP 36 HA ASP 36 -16.826 2.462 7.136 307 1HB ASP 36 HB2 ASP 36 -14.086 1.222 7.516 308 2HB ASP 36 HB1 ASP 36 -15.239 1.444 8.832 309 H ARG 37 HN ARG 37 -13.499 3.643 6.608 310 HA ARG 37 HA ARG 37 -13.579 5.447 8.867 311 1HB ARG 37 HB2 ARG 37 -11.453 4.618 7.849 312 2HB ARG 37 HB1 ARG 37 -11.808 5.557 6.404 313 1HG ARG 37 HG2 ARG 37 -10.348 6.945 7.631 314 2HG ARG 37 HG1 ARG 37 -11.937 7.601 8.001 315 1HD ARG 37 HD2 ARG 37 -11.982 6.423 10.133 316 2HD ARG 37 HD1 ARG 37 -10.473 5.597 9.744 317 HE ARG 37 HE ARG 37 -9.789 8.260 9.583 318 1HH1 ARG 37 HH21 ARG 37 -11.407 6.257 11.876 319 2HH1 ARG 37 HH22 ARG 37 -10.855 7.155 13.252 320 1HH2 ARG 37 HH11 ARG 37 -9.058 9.446 11.368 321 2HH2 ARG 37 HH12 ARG 37 -9.530 8.962 12.964 322 H PHE 38 HN PHE 38 -13.907 5.948 5.343 323 HA PHE 38 HA PHE 38 -15.228 8.575 5.919 324 1HB PHE 38 HB2 PHE 38 -13.857 7.699 3.360 325 2HB PHE 38 HB1 PHE 38 -14.486 9.304 3.729 326 HD1 PHE 38 HD1 PHE 38 -13.436 10.659 5.575 327 HD2 PHE 38 HD2 PHE 38 -11.722 6.986 4.151 328 HE1 PHE 38 HE1 PHE 38 -11.270 11.260 6.627 329 HE2 PHE 38 HE2 PHE 38 -9.559 7.587 5.204 330 HZ PHE 38 HZ PHE 38 -9.334 9.722 6.442 331 HA PRO 39 HA PRO 39 -18.633 6.105 4.156 332 1HB PRO 39 HB2 PRO 39 -20.704 7.700 4.886 333 2HB PRO 39 HB1 PRO 39 -19.858 6.661 6.047 334 1HG PRO 39 HG2 PRO 39 -19.586 9.591 5.589 335 2HG PRO 39 HG1 PRO 39 -19.571 8.685 7.110 336 1HD PRO 39 HD2 PRO 39 -17.291 9.590 5.808 337 2HD PRO 39 HD1 PRO 39 -17.309 8.236 6.958 338 H PHE 40 HN PHE 40 -17.427 9.069 3.202 339 HA PHE 40 HA PHE 40 -19.366 10.032 1.348 340 1HB PHE 40 HB2 PHE 40 -17.563 11.488 1.801 341 2HB PHE 40 HB1 PHE 40 -16.361 10.226 1.559 342 HD1 PHE 40 HD1 PHE 40 -15.213 10.126 -0.482 343 HD2 PHE 40 HD2 PHE 40 -19.042 12.078 -0.308 344 HE1 PHE 40 HE1 PHE 40 -14.973 10.817 -2.853 345 HE2 PHE 40 HE2 PHE 40 -18.795 12.770 -2.677 346 HZ PHE 40 HZ PHE 40 -16.762 12.138 -3.949 347 H TYR 41 HN TYR 41 -16.818 7.593 1.062 348 HA TYR 41 HA TYR 41 -17.189 7.116 -1.750 349 1HB TYR 41 HB2 TYR 41 -15.942 5.460 0.449 350 2HB TYR 41 HB1 TYR 41 -15.886 5.022 -1.262 351 HD1 TYR 41 HD1 TYR 41 -14.785 7.428 1.276 352 HD2 TYR 41 HD2 TYR 41 -14.618 6.360 -2.869 353 HE1 TYR 41 HE1 TYR 41 -12.925 9.026 0.951 354 HE2 TYR 41 HE2 TYR 41 -12.745 7.942 -3.215 355 HH TYR 41 HH TYR 41 -11.346 9.743 -0.476 356 H ARG 42 HN ARG 42 -18.965 6.012 1.056 357 HA ARG 42 HA ARG 42 -19.969 3.572 -0.016 358 1HB ARG 42 HB2 ARG 42 -21.222 5.570 1.883 359 2HB ARG 42 HB1 ARG 42 -21.985 4.038 1.465 360 1HG ARG 42 HG2 ARG 42 -19.998 2.822 2.285 361 2HG ARG 42 HG1 ARG 42 -19.241 4.356 2.713 362 1HD ARG 42 HD2 ARG 42 -21.096 4.846 4.266 363 2HD ARG 42 HD1 ARG 42 -21.857 3.314 3.840 364 HE ARG 42 HE ARG 42 -19.334 2.566 4.689 365 1HH1 ARG 42 HH21 ARG 42 -21.914 4.489 5.925 366 2HH1 ARG 42 HH22 ARG 42 -21.569 4.125 7.583 367 1HH2 ARG 42 HH11 ARG 42 -18.869 2.078 6.846 368 2HH2 ARG 42 HH12 ARG 42 -19.841 2.765 8.105 369 H GLU 43 HN GLU 43 -21.076 6.934 -0.426 370 HA GLU 43 HA GLU 43 -23.440 6.338 -1.897 371 1HB GLU 43 HB2 GLU 43 -21.590 8.727 -1.988 372 2HB GLU 43 HB1 GLU 43 -23.121 8.657 -2.859 373 1HG GLU 43 HG2 GLU 43 -22.885 8.218 0.129 374 2HG GLU 43 HG1 GLU 43 -23.255 9.783 -0.597 375 H ASN 44 HN ASN 44 -20.143 6.892 -2.928 376 HA ASN 44 HA ASN 44 -20.829 5.936 -5.687 377 1HB ASN 44 HB2 ASN 44 -19.784 8.207 -5.496 378 2HB ASN 44 HB1 ASN 44 -18.373 7.452 -4.752 379 1HD2 ASN 44 HD21 ASN 44 -16.861 7.792 -6.466 380 2HD2 ASN 44 HD22 ASN 44 -17.048 7.115 -8.012 381 H LYS 45 HN LYS 45 -20.450 3.763 -5.765 382 HA LYS 45 HA LYS 45 -18.115 2.641 -4.285 383 1HB LYS 45 HB2 LYS 45 -20.569 1.375 -5.514 384 2HB LYS 45 HB1 LYS 45 -19.230 0.446 -4.839 385 1HG LYS 45 HG2 LYS 45 -19.542 1.571 -2.664 386 2HG LYS 45 HG1 LYS 45 -20.883 2.498 -3.336 387 1HD LYS 45 HD2 LYS 45 -22.104 0.402 -3.796 388 2HD LYS 45 HD1 LYS 45 -20.765 -0.524 -3.118 389 1HE LYS 45 HE2 LYS 45 -21.070 0.647 -0.952 390 2HE LYS 45 HE1 LYS 45 -22.448 1.513 -1.632 391 1HZ LYS 45 HZ1 LYS 45 -23.241 -0.882 -2.203 392 2HZ LYS 45 HZ2 LYS 45 -23.474 -0.255 -0.641 393 3HZ LYS 45 HZ3 LYS 45 -22.193 -1.329 -0.946 394 H GLN 46 HN GLN 46 -19.541 2.821 -7.529 395 HA GLN 46 HA GLN 46 -17.305 1.269 -8.668 396 1HB GLN 46 HB2 GLN 46 -19.735 2.599 -9.887 397 2HB GLN 46 HB1 GLN 46 -18.520 1.733 -10.829 398 1HG GLN 46 HG2 GLN 46 -19.973 0.482 -8.489 399 2HG GLN 46 HG1 GLN 46 -20.552 0.356 -10.150 400 1HE2 GLN 46 HE21 GLN 46 -18.247 -0.072 -11.616 401 2HE2 GLN 46 HE22 GLN 46 -17.461 -1.483 -11.097 402 H GLY 47 HN GLY 47 -15.631 2.129 -9.828 403 1HA GLY 47 HA2 GLY 47 -14.686 3.894 -11.256 404 2HA GLY 47 HA1 GLY 47 -15.588 5.082 -10.319 405 H TRP 48 HN TRP 48 -15.005 4.965 -7.852 406 HA TRP 48 HA TRP 48 -12.177 5.509 -7.663 407 1HB TRP 48 HB2 TRP 48 -12.615 6.231 -5.474 408 2HB TRP 48 HB1 TRP 48 -14.119 6.555 -6.326 409 HD1 TRP 48 HD1 TRP 48 -16.235 5.100 -5.707 410 HE1 TRP 48 HE1 TRP 48 -16.752 3.566 -3.706 411 HE3 TRP 48 HE3 TRP 48 -11.531 4.483 -3.818 412 HZ2 TRP 48 HZ2 TRP 48 -15.366 2.236 -1.593 413 HZ3 TRP 48 HZ3 TRP 48 -11.158 3.074 -1.817 414 HH2 TRP 48 HH2 TRP 48 -13.064 1.951 -0.701 415 H GLN 49 HN GLN 49 -14.203 2.785 -6.644 416 HA GLN 49 HA GLN 49 -12.286 1.439 -5.050 417 1HB GLN 49 HB2 GLN 49 -14.664 0.808 -5.131 418 2HB GLN 49 HB1 GLN 49 -14.467 0.261 -6.795 419 1HG GLN 49 HG2 GLN 49 -12.845 -1.445 -6.053 420 2HG GLN 49 HG1 GLN 49 -13.019 -0.886 -4.389 421 1HE2 GLN 49 HE21 GLN 49 -13.669 -3.567 -5.038 422 2HE2 GLN 49 HE22 GLN 49 -15.348 -3.776 -4.913 423 H ASN 50 HN ASN 50 -12.958 0.973 -8.554 424 HA ASN 50 HA ASN 50 -10.784 -0.934 -8.831 425 1HB ASN 50 HB2 ASN 50 -12.254 0.656 -10.955 426 2HB ASN 50 HB1 ASN 50 -11.201 -0.726 -11.253 427 1HD2 ASN 50 HD21 ASN 50 -14.301 -0.208 -11.478 428 2HD2 ASN 50 HD22 ASN 50 -14.963 -1.588 -10.745 429 H SER 51 HN SER 51 -11.021 2.548 -9.044 430 HA SER 51 HA SER 51 -8.758 3.082 -10.674 431 1HB SER 51 HB2 SER 51 -10.389 4.810 -9.934 432 2HB SER 51 HB1 SER 51 -9.744 4.687 -8.300 433 HG SER 51 HG SER 51 -8.374 5.481 -10.656 434 H ILE 52 HN ILE 52 -8.975 2.523 -7.167 435 HA ILE 52 HA ILE 52 -6.216 3.077 -6.650 436 HB ILE 52 HB ILE 52 -8.304 1.497 -5.164 437 1HG1 ILE 52 HG12 ILE 52 -7.024 4.207 -4.763 438 2HG1 ILE 52 HG11 ILE 52 -8.663 3.891 -5.321 439 1HG2 ILE 52 HG21 ILE 52 -5.438 2.065 -4.394 440 2HG2 ILE 52 HG22 ILE 52 -6.231 0.496 -4.497 441 3HG2 ILE 52 HG23 ILE 52 -6.675 1.617 -3.220 442 1HD1 ILE 52 HD11 ILE 52 -8.796 2.544 -3.017 443 2HD1 ILE 52 HD12 ILE 52 -9.098 4.278 -3.096 444 3HD1 ILE 52 HD13 ILE 52 -7.524 3.679 -2.575 445 H ARG 53 HN ARG 53 -7.881 -0.002 -7.467 446 HA ARG 53 HA ARG 53 -5.596 -1.676 -7.060 447 1HB ARG 53 HB2 ARG 53 -7.675 -2.058 -9.246 448 2HB ARG 53 HB1 ARG 53 -6.708 -3.305 -8.455 449 1HG ARG 53 HG2 ARG 53 -7.821 -2.504 -6.266 450 2HG ARG 53 HG1 ARG 53 -8.986 -1.698 -7.322 451 1HD ARG 53 HD2 ARG 53 -8.475 -4.641 -6.975 452 2HD ARG 53 HD1 ARG 53 -9.999 -3.762 -6.908 453 HE ARG 53 HE ARG 53 -9.051 -3.413 -9.524 454 1HH1 ARG 53 HH21 ARG 53 -9.903 -5.975 -7.385 455 2HH1 ARG 53 HH22 ARG 53 -10.332 -7.075 -8.653 456 1HH2 ARG 53 HH11 ARG 53 -9.593 -4.837 -11.199 457 2HH2 ARG 53 HH12 ARG 53 -10.155 -6.429 -10.814 458 H HIS 54 HN HIS 54 -6.702 0.141 -9.920 459 HA HIS 54 HA HIS 54 -4.645 -0.699 -11.705 460 1HB HIS 54 HB2 HIS 54 -6.651 0.558 -12.438 461 2HB HIS 54 HB1 HIS 54 -6.070 1.980 -11.574 462 HD1 HIS 54 HD1 HIS 54 -4.429 -0.438 -14.049 463 HD2 HIS 54 HD2 HIS 54 -4.883 3.655 -13.402 464 HE1 HIS 54 HE1 HIS 54 -3.173 0.726 -15.914 465 H ASN 55 HN ASN 55 -4.788 1.922 -9.322 466 HA ASN 55 HA ASN 55 -2.226 3.065 -9.974 467 1HB ASN 55 HB2 ASN 55 -3.919 3.151 -7.461 468 2HB ASN 55 HB1 ASN 55 -2.422 4.064 -7.651 469 1HD2 ASN 55 HD21 ASN 55 -5.093 5.249 -7.348 470 2HD2 ASN 55 HD22 ASN 55 -5.408 6.121 -8.770 471 H LEU 56 HN LEU 56 -3.254 0.593 -7.618 472 HA LEU 56 HA LEU 56 -0.767 0.345 -6.270 473 1HB LEU 56 HB2 LEU 56 -2.938 -1.688 -6.788 474 2HB LEU 56 HB1 LEU 56 -1.551 -2.001 -5.748 475 HG LEU 56 HG LEU 56 -3.476 0.310 -5.367 476 1HD1 LEU 56 HD11 LEU 56 -4.418 -2.052 -5.044 477 2HD1 LEU 56 HD12 LEU 56 -4.560 -0.955 -3.670 478 3HD1 LEU 56 HD13 LEU 56 -3.303 -2.192 -3.685 479 1HD2 LEU 56 HD21 LEU 56 -1.005 -0.630 -3.949 480 2HD2 LEU 56 HD22 LEU 56 -2.319 0.006 -2.963 481 3HD2 LEU 56 HD23 LEU 56 -1.598 1.008 -4.214 482 H SER 57 HN SER 57 -1.964 -1.234 -9.216 483 HA SER 57 HA SER 57 0.243 -3.027 -9.540 484 1HB SER 57 HB2 SER 57 -1.840 -3.329 -10.781 485 2HB SER 57 HB1 SER 57 -1.600 -1.793 -11.608 486 HG SER 57 HG SER 57 -0.127 -4.194 -11.822 487 H LEU 58 HN LEU 58 -0.363 0.186 -10.999 488 HA LEU 58 HA LEU 58 2.181 0.259 -12.352 489 1HB LEU 58 HB2 LEU 58 0.210 2.425 -11.599 490 2HB LEU 58 HB1 LEU 58 1.661 2.731 -12.550 491 HG LEU 58 HG LEU 58 -0.413 0.660 -13.313 492 1HD1 LEU 58 HD11 LEU 58 -1.313 2.310 -14.881 493 2HD1 LEU 58 HD12 LEU 58 -0.136 3.504 -14.332 494 3HD1 LEU 58 HD13 LEU 58 -1.400 2.943 -13.236 495 1HD2 LEU 58 HD21 LEU 58 2.036 1.828 -14.629 496 2HD2 LEU 58 HD22 LEU 58 0.704 1.259 -15.631 497 3HD2 LEU 58 HD23 LEU 58 1.514 0.147 -14.538 498 H ASN 59 HN ASN 59 1.092 1.272 -9.158 499 HA ASN 59 HA ASN 59 3.495 2.796 -8.560 500 1HB ASN 59 HB2 ASN 59 1.295 1.641 -6.829 501 2HB ASN 59 HB1 ASN 59 2.634 2.584 -6.175 502 1HD2 ASN 59 HD21 ASN 59 -0.354 3.237 -6.420 503 2HD2 ASN 59 HD22 ASN 59 -0.392 4.733 -7.221 504 H GLU 60 HN GLU 60 5.434 1.785 -8.435 505 HA GLU 60 HA GLU 60 5.595 -1.034 -7.548 506 1HB GLU 60 HB2 GLU 60 7.643 0.910 -8.648 507 2HB GLU 60 HB1 GLU 60 8.040 -0.725 -8.119 508 1HG GLU 60 HG2 GLU 60 6.394 -1.636 -9.735 509 2HG GLU 60 HG1 GLU 60 6.043 0.005 -10.283 510 H CYS 61 HN CYS 61 5.480 1.892 -6.013 511 HA CYS 61 HA CYS 61 7.675 1.649 -4.155 512 1HB CYS 61 HB2 CYS 61 6.633 3.435 -2.951 513 2HB CYS 61 HB1 CYS 61 6.314 3.749 -4.656 514 HG CYS 61 HG CYS 61 4.025 3.964 -3.443 515 H PHE 62 HN PHE 62 4.568 0.143 -4.390 516 HA PHE 62 HA PHE 62 4.509 -0.661 -1.554 517 1HB PHE 62 HB2 PHE 62 2.732 -1.381 -3.904 518 2HB PHE 62 HB1 PHE 62 2.463 -1.910 -2.244 519 HD1 PHE 62 HD1 PHE 62 2.137 -0.175 -0.430 520 HD2 PHE 62 HD2 PHE 62 2.087 0.805 -4.613 521 HE1 PHE 62 HE1 PHE 62 1.008 1.970 0.087 522 HE2 PHE 62 HE2 PHE 62 0.957 2.951 -4.095 523 HZ PHE 62 HZ PHE 62 0.418 3.534 -1.746 524 H VAL 63 HN VAL 63 4.645 -2.890 -0.880 525 HA VAL 63 HA VAL 63 6.207 -4.635 -2.765 526 HB VAL 63 HB VAL 63 6.200 -4.628 0.266 527 1HG1 VAL 63 HG11 VAL 63 6.694 -6.822 -0.562 528 2HG1 VAL 63 HG12 VAL 63 8.236 -6.090 -0.120 529 3HG1 VAL 63 HG13 VAL 63 7.756 -6.179 -1.815 530 1HG2 VAL 63 HG21 VAL 63 7.411 -2.698 -0.193 531 2HG2 VAL 63 HG22 VAL 63 7.932 -3.266 -1.780 532 3HG2 VAL 63 HG23 VAL 63 8.701 -3.892 -0.323 533 H LYS 64 HN LYS 64 5.152 -6.457 -3.395 534 HA LYS 64 HA LYS 64 2.608 -7.195 -2.138 535 1HB LYS 64 HB2 LYS 64 4.217 -8.607 -4.292 536 2HB LYS 64 HB1 LYS 64 2.560 -8.988 -3.830 537 1HG LYS 64 HG2 LYS 64 1.841 -6.735 -4.504 538 2HG LYS 64 HG1 LYS 64 3.498 -6.343 -4.972 539 1HD LYS 64 HD2 LYS 64 3.481 -8.189 -6.604 540 2HD LYS 64 HD1 LYS 64 1.828 -8.590 -6.144 541 1HE LYS 64 HE2 LYS 64 0.939 -6.763 -7.245 542 2HE LYS 64 HE1 LYS 64 2.376 -5.770 -6.996 543 1HZ LYS 64 HZ1 LYS 64 1.688 -7.348 -9.221 544 2HZ LYS 64 HZ2 LYS 64 3.133 -7.940 -8.553 545 3HZ LYS 64 HZ3 LYS 64 3.017 -6.312 -9.026 546 H VAL 65 HN VAL 65 2.264 -9.426 -1.264 547 HA VAL 65 HA VAL 65 4.749 -10.777 -0.303 548 HB VAL 65 HB VAL 65 2.407 -10.170 1.513 549 1HG1 VAL 65 HG11 VAL 65 5.211 -11.232 1.956 550 2HG1 VAL 65 HG12 VAL 65 3.700 -12.113 2.178 551 3HG1 VAL 65 HG13 VAL 65 4.110 -10.781 3.257 552 1HG2 VAL 65 HG21 VAL 65 5.045 -8.720 1.162 553 2HG2 VAL 65 HG22 VAL 65 3.995 -8.511 2.564 554 3HG2 VAL 65 HG23 VAL 65 3.428 -8.047 0.960 555 HA PRO 66 HA PRO 66 1.607 -13.636 -2.294 556 1HB PRO 66 HB2 PRO 66 4.230 -15.089 -2.503 557 2HB PRO 66 HB1 PRO 66 2.918 -14.961 -3.692 558 1HG PRO 66 HG2 PRO 66 5.128 -13.522 -3.962 559 2HG PRO 66 HG1 PRO 66 3.542 -12.827 -4.343 560 1HD PRO 66 HD2 PRO 66 5.297 -12.324 -1.968 561 2HD PRO 66 HD1 PRO 66 4.184 -11.215 -2.799 562 H ARG 67 HN ARG 67 0.466 -14.927 -0.919 563 HA ARG 67 HA ARG 67 1.680 -15.874 1.565 564 1HB ARG 67 HB2 ARG 67 -0.534 -16.732 2.085 565 2HB ARG 67 HB1 ARG 67 -0.684 -15.096 1.447 566 1HG ARG 67 HG2 ARG 67 -0.973 -16.307 -0.865 567 2HG ARG 67 HG1 ARG 67 -1.366 -17.712 0.119 568 1HD ARG 67 HD2 ARG 67 -2.816 -15.085 -0.089 569 2HD ARG 67 HD1 ARG 67 -3.464 -16.709 -0.268 570 HE ARG 67 HE ARG 67 -3.360 -15.178 2.145 571 1HH1 ARG 67 HH21 ARG 67 -2.676 -18.367 1.005 572 2HH1 ARG 67 HH22 ARG 67 -2.751 -19.073 2.583 573 1HH2 ARG 67 HH11 ARG 67 -3.471 -16.089 4.183 574 2HH2 ARG 67 HH12 ARG 67 -3.205 -17.790 4.377 575 H ASP 68 HN ASP 68 0.413 -18.421 1.794 576 HA ASP 68 HA ASP 68 2.399 -20.087 0.608 577 1HB ASP 68 HB2 ASP 68 1.053 -21.961 1.402 578 2HB ASP 68 HB1 ASP 68 1.063 -20.691 2.626 579 H ASP 69 HN ASP 69 2.389 -21.361 -1.245 580 HA ASP 69 HA ASP 69 0.699 -20.526 -3.440 581 1HB ASP 69 HB2 ASP 69 2.640 -22.826 -3.092 582 2HB ASP 69 HB1 ASP 69 1.789 -22.509 -4.605 583 H LYS 70 HN LYS 70 0.449 -22.915 -0.959 584 HA LYS 70 HA LYS 70 -1.234 -24.828 -2.218 585 1HB LYS 70 HB2 LYS 70 -1.050 -23.901 0.659 586 2HB LYS 70 HB1 LYS 70 -2.042 -25.267 0.144 587 1HG LYS 70 HG2 LYS 70 -0.042 -26.372 -0.789 588 2HG LYS 70 HG1 LYS 70 0.952 -25.010 -0.272 589 1HD LYS 70 HD2 LYS 70 0.320 -25.435 2.076 590 2HD LYS 70 HD1 LYS 70 -0.671 -26.801 1.561 591 1HE LYS 70 HE2 LYS 70 1.578 -27.512 2.369 592 2HE LYS 70 HE1 LYS 70 1.300 -27.947 0.683 593 1HZ LYS 70 HZ1 LYS 70 2.507 -25.950 0.021 594 2HZ LYS 70 HZ2 LYS 70 3.478 -26.974 0.966 595 3HZ LYS 70 HZ3 LYS 70 2.800 -25.573 1.648 596 H LYS 71 HN LYS 71 -2.027 -21.754 -0.592 597 HA LYS 71 HA LYS 71 -4.747 -21.901 -1.807 598 1HB LYS 71 HB2 LYS 71 -4.791 -22.487 0.624 599 2HB LYS 71 HB1 LYS 71 -4.048 -20.930 0.978 600 1HG LYS 71 HG2 LYS 71 -6.294 -20.420 1.276 601 2HG LYS 71 HG1 LYS 71 -6.080 -19.971 -0.409 602 1HD LYS 71 HD2 LYS 71 -6.908 -22.241 -1.071 603 2HD LYS 71 HD1 LYS 71 -7.222 -22.580 0.630 604 1HE LYS 71 HE2 LYS 71 -9.300 -21.823 -0.250 605 2HE LYS 71 HE1 LYS 71 -8.643 -20.447 0.634 606 1HZ LYS 71 HZ1 LYS 71 -8.296 -19.289 -1.244 607 2HZ LYS 71 HZ2 LYS 71 -9.499 -20.309 -1.877 608 3HZ LYS 71 HZ3 LYS 71 -7.858 -20.653 -2.152 609 HA PRO 72 HA PRO 72 -2.778 -17.811 -2.683 610 1HB PRO 72 HB2 PRO 72 -2.916 -17.841 -5.363 611 2HB PRO 72 HB1 PRO 72 -1.680 -18.784 -4.506 612 1HG PRO 72 HG2 PRO 72 -4.243 -19.698 -5.732 613 2HG PRO 72 HG1 PRO 72 -2.654 -20.481 -5.738 614 1HD PRO 72 HD2 PRO 72 -4.742 -21.121 -3.986 615 2HD PRO 72 HD1 PRO 72 -3.031 -21.516 -3.709 616 H GLY 73 HN GLY 73 -5.735 -18.921 -2.511 617 1HA GLY 73 HA2 GLY 73 -7.374 -17.384 -4.249 618 2HA GLY 73 HA1 GLY 73 -7.889 -18.008 -2.684 619 H LYS 74 HN LYS 74 -6.029 -16.569 -1.050 620 HA LYS 74 HA LYS 74 -7.406 -13.999 -0.992 621 1HB LYS 74 HB2 LYS 74 -5.343 -15.362 0.727 622 2HB LYS 74 HB1 LYS 74 -5.632 -13.636 0.935 623 1HG LYS 74 HG2 LYS 74 -7.057 -14.842 2.483 624 2HG LYS 74 HG1 LYS 74 -8.076 -14.138 1.229 625 1HD LYS 74 HD2 LYS 74 -8.235 -16.258 0.076 626 2HD LYS 74 HD1 LYS 74 -7.036 -16.984 1.148 627 1HE LYS 74 HE2 LYS 74 -9.674 -15.857 2.120 628 2HE LYS 74 HE1 LYS 74 -9.434 -17.557 1.718 629 1HZ LYS 74 HZ1 LYS 74 -7.322 -16.834 3.350 630 2HZ LYS 74 HZ2 LYS 74 -8.637 -17.835 3.748 631 3HZ LYS 74 HZ3 LYS 74 -8.706 -16.167 4.071 632 H GLY 75 HN GLY 75 -5.210 -14.966 -3.048 633 1HA GLY 75 HA2 GLY 75 -3.646 -13.861 -4.406 634 2HA GLY 75 HA1 GLY 75 -4.351 -12.359 -3.808 635 H SER 76 HN SER 76 -2.675 -11.120 -3.139 636 HA SER 76 HA SER 76 -0.686 -12.320 -1.238 637 1HB SER 76 HB2 SER 76 -0.142 -10.268 -3.408 638 2HB SER 76 HB1 SER 76 1.037 -10.902 -2.265 639 HG SER 76 HG SER 76 -0.337 -12.247 -4.341 640 H TYR 77 HN TYR 77 -0.076 -10.954 0.477 641 HA TYR 77 HA TYR 77 -1.950 -8.790 1.085 642 1HB TYR 77 HB2 TYR 77 0.552 -9.366 2.671 643 2HB TYR 77 HB1 TYR 77 -1.007 -8.775 3.240 644 HD1 TYR 77 HD1 TYR 77 -3.025 -10.487 2.368 645 HD2 TYR 77 HD2 TYR 77 1.016 -11.545 3.373 646 HE1 TYR 77 HE1 TYR 77 -3.749 -12.812 2.836 647 HE2 TYR 77 HE2 TYR 77 0.292 -13.871 3.836 648 HH TYR 77 HH TYR 77 -1.591 -15.379 3.156 649 H TRP 78 HN TRP 78 -1.163 -6.576 1.607 650 HA TRP 78 HA TRP 78 1.163 -5.792 -0.129 651 1HB TRP 78 HB2 TRP 78 -1.374 -4.285 0.571 652 2HB TRP 78 HB1 TRP 78 -0.038 -3.624 -0.375 653 HD1 TRP 78 HD1 TRP 78 -2.586 -6.518 -0.482 654 HE1 TRP 78 HE1 TRP 78 -2.976 -7.161 -2.948 655 HE3 TRP 78 HE3 TRP 78 0.805 -3.450 -2.733 656 HZ2 TRP 78 HZ2 TRP 78 -1.965 -6.465 -5.538 657 HZ3 TRP 78 HZ3 TRP 78 1.073 -3.451 -5.192 658 HH2 TRP 78 HH2 TRP 78 -0.315 -4.943 -6.599 659 H THR 79 HN THR 79 2.761 -4.568 0.797 660 HA THR 79 HA THR 79 2.303 -3.200 3.371 661 HB THR 79 HB THR 79 2.890 -5.576 3.947 662 HG1 THR 79 HG1 THR 79 3.916 -3.325 4.841 663 1HG2 THR 79 HG21 THR 79 5.611 -4.900 2.817 664 2HG2 THR 79 HG22 THR 79 4.410 -5.825 1.916 665 3HG2 THR 79 HG23 THR 79 5.051 -6.453 3.434 666 H LEU 80 HN LEU 80 4.202 -1.841 3.963 667 HA LEU 80 HA LEU 80 5.514 -0.793 1.529 668 1HB LEU 80 HB2 LEU 80 5.548 0.175 4.402 669 2HB LEU 80 HB1 LEU 80 6.305 1.014 3.052 670 HG LEU 80 HG LEU 80 3.352 0.347 3.199 671 1HD1 LEU 80 HD11 LEU 80 3.927 1.942 4.956 672 2HD1 LEU 80 HD12 LEU 80 3.084 2.790 3.660 673 3HD1 LEU 80 HD13 LEU 80 4.836 2.921 3.805 674 1HD2 LEU 80 HD21 LEU 80 3.845 0.661 0.923 675 2HD2 LEU 80 HD22 LEU 80 5.099 1.854 1.253 676 3HD2 LEU 80 HD23 LEU 80 3.400 2.286 1.427 677 H ASP 81 HN ASP 81 7.597 -1.208 1.006 678 HA ASP 81 HA ASP 81 9.688 -1.574 2.907 679 1HB ASP 81 HB2 ASP 81 8.278 -4.016 1.938 680 2HB ASP 81 HB1 ASP 81 10.038 -4.102 1.981 681 HA PRO 82 HA PRO 82 11.796 -0.863 -0.961 682 1HB PRO 82 HB2 PRO 82 14.366 -1.225 -0.294 683 2HB PRO 82 HB1 PRO 82 13.408 0.057 0.480 684 1HG PRO 82 HG2 PRO 82 14.125 -2.651 1.523 685 2HG PRO 82 HG1 PRO 82 14.150 -1.087 2.356 686 1HD PRO 82 HD2 PRO 82 12.067 -2.921 2.557 687 2HD PRO 82 HD1 PRO 82 11.899 -1.174 2.851 688 H ASP 83 HN ASP 83 14.072 -2.144 -1.989 689 HA ASP 83 HA ASP 83 12.959 -4.786 -2.718 690 1HB ASP 83 HB2 ASP 83 15.348 -3.207 -3.712 691 2HB ASP 83 HB1 ASP 83 14.935 -4.818 -4.299 692 H SER 84 HN SER 84 13.568 -4.935 -0.119 693 HA SER 84 HA SER 84 16.242 -5.526 0.613 694 1HB SER 84 HB2 SER 84 14.446 -5.191 2.257 695 2HB SER 84 HB1 SER 84 13.668 -6.679 1.725 696 HG SER 84 HG SER 84 15.025 -6.929 3.594 697 H TYR 85 HN TYR 85 13.709 -7.648 -0.716 698 HA TYR 85 HA TYR 85 15.111 -10.106 -0.409 699 1HB TYR 85 HB2 TYR 85 13.611 -10.968 -2.138 700 2HB TYR 85 HB1 TYR 85 12.720 -9.956 -1.006 701 HD1 TYR 85 HD1 TYR 85 11.940 -7.714 -1.659 702 HD2 TYR 85 HD2 TYR 85 13.989 -10.280 -4.430 703 HE1 TYR 85 HE1 TYR 85 11.164 -6.300 -3.542 704 HE2 TYR 85 HE2 TYR 85 13.216 -8.863 -6.313 705 HH TYR 85 HH TYR 85 11.905 -7.164 -6.915 706 H ASN 86 HN ASN 86 15.174 -7.745 -3.045 707 HA ASN 86 HA ASN 86 16.895 -9.372 -4.705 708 1HB ASN 86 HB2 ASN 86 15.313 -7.477 -5.463 709 2HB ASN 86 HB1 ASN 86 16.603 -6.383 -4.964 710 1HD2 ASN 86 HD21 ASN 86 17.461 -5.719 -6.977 711 2HD2 ASN 86 HD22 ASN 86 18.052 -6.792 -8.153 712 H MET 87 HN MET 87 17.474 -7.377 -2.027 713 HA MET 87 HA MET 87 20.214 -6.672 -2.792 714 1HB MET 87 HB2 MET 87 18.637 -6.353 -0.234 715 2HB MET 87 HB1 MET 87 20.340 -5.907 -0.360 716 1HG MET 87 HG2 MET 87 19.817 -4.379 -2.215 717 2HG MET 87 HG1 MET 87 18.117 -4.831 -2.119 718 1HE MET 87 HE1 MET 87 17.784 -2.466 -2.215 719 2HE MET 87 HE2 MET 87 19.250 -1.619 -1.729 720 3HE MET 87 HE3 MET 87 17.755 -1.361 -0.834 721 H PHE 88 HN PHE 88 21.835 -8.098 -2.691 722 HA PHE 88 HA PHE 88 21.716 -10.329 -0.686 723 1HB PHE 88 HB2 PHE 88 23.120 -10.198 -3.374 724 2HB PHE 88 HB1 PHE 88 23.200 -11.555 -2.250 725 HD1 PHE 88 HD1 PHE 88 21.157 -9.799 -4.722 726 HD2 PHE 88 HD2 PHE 88 21.169 -12.891 -1.739 727 HE1 PHE 88 HE1 PHE 88 19.039 -10.699 -5.646 728 HE2 PHE 88 HE2 PHE 88 19.051 -13.791 -2.664 729 HZ PHE 88 HZ PHE 88 17.987 -12.695 -4.617 730 H GLU 89 HN GLU 89 22.939 -7.404 -0.904 731 HA GLU 89 HA GLU 89 25.684 -8.151 0.057 732 1HB GLU 89 HB2 GLU 89 26.236 -5.747 -0.525 733 2HB GLU 89 HB1 GLU 89 25.874 -6.783 -1.905 734 1HG GLU 89 HG2 GLU 89 23.604 -5.921 -2.024 735 2HG GLU 89 HG1 GLU 89 23.847 -4.979 -0.553 736 H ASN 90 HN ASN 90 26.481 -6.134 1.492 737 HA ASN 90 HA ASN 90 25.026 -6.285 3.924 738 1HB ASN 90 HB2 ASN 90 27.045 -4.208 3.032 739 2HB ASN 90 HB1 ASN 90 26.524 -4.465 4.699 740 1HD2 ASN 90 HD21 ASN 90 26.535 -7.183 5.019 741 2HD2 ASN 90 HD22 ASN 90 28.070 -7.834 4.703 742 H GLY 91 HN GLY 91 24.191 -4.673 1.179 743 1HA GLY 91 HA2 GLY 91 22.163 -3.387 0.949 744 2HA GLY 91 HA1 GLY 91 22.250 -2.980 2.663 745 H SER 92 HN SER 92 23.980 -2.424 -0.409 746 HA SER 92 HA SER 92 25.297 -0.039 0.666 747 1HB SER 92 HB2 SER 92 26.522 -1.342 -0.962 748 2HB SER 92 HB1 SER 92 25.187 -1.255 -2.107 749 HG SER 92 HG SER 92 26.952 0.770 -1.244 750 H PHE 93 HN PHE 93 23.407 1.213 1.227 751 HA PHE 93 HA PHE 93 21.329 1.925 -0.584 752 1HB PHE 93 HB2 PHE 93 21.191 2.390 1.830 753 2HB PHE 93 HB1 PHE 93 22.513 3.549 1.690 754 HD1 PHE 93 HD1 PHE 93 22.208 5.693 0.570 755 HD2 PHE 93 HD2 PHE 93 18.963 2.900 0.934 756 HE1 PHE 93 HE1 PHE 93 20.605 7.476 -0.058 757 HE2 PHE 93 HE2 PHE 93 17.359 4.686 0.305 758 HZ PHE 93 HZ PHE 93 18.180 6.973 -0.189 759 H LEU 94 HN LEU 94 24.501 3.417 0.037 760 HA LEU 94 HA LEU 94 24.143 5.686 -1.649 761 1HB LEU 94 HB2 LEU 94 26.025 5.484 -0.074 762 2HB LEU 94 HB1 LEU 94 26.677 4.140 -1.005 763 HG LEU 94 HG LEU 94 26.978 5.632 -2.951 764 1HD1 LEU 94 HD11 LEU 94 25.328 7.297 -2.797 765 2HD1 LEU 94 HD12 LEU 94 26.785 8.172 -2.339 766 3HD1 LEU 94 HD13 LEU 94 25.667 7.614 -1.095 767 1HD2 LEU 94 HD21 LEU 94 28.735 5.357 -1.148 768 2HD2 LEU 94 HD22 LEU 94 28.162 6.873 -0.454 769 3HD2 LEU 94 HD23 LEU 94 28.863 6.854 -2.071 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -24.927 17.890 3.666 2 2H MET 1 HT2 MET 1 -23.447 18.289 4.398 3 3H MET 1 HT3 MET 1 -24.037 16.698 4.482 4 HA MET 1 HA MET 1 -23.796 16.440 2.101 5 1HB MET 1 HB2 MET 1 -24.153 18.901 1.646 6 2HB MET 1 HB1 MET 1 -22.496 19.174 2.182 7 1HG MET 1 HG2 MET 1 -21.642 17.703 0.439 8 2HG MET 1 HG1 MET 1 -23.280 17.286 -0.059 9 1HE MET 1 HE1 MET 1 -24.707 20.134 -1.862 10 2HE MET 1 HE2 MET 1 -24.871 20.263 -0.114 11 3HE MET 1 HE3 MET 1 -24.931 18.679 -0.883 12 H LEU 2 HN LEU 2 -21.785 15.638 1.282 13 HA LEU 2 HA LEU 2 -19.439 15.877 3.134 14 1HB LEU 2 HB2 LEU 2 -20.506 13.358 1.821 15 2HB LEU 2 HB1 LEU 2 -18.997 13.463 2.725 16 HG LEU 2 HG LEU 2 -21.732 14.114 3.861 17 1HD1 LEU 2 HD11 LEU 2 -21.350 11.964 5.143 18 2HD1 LEU 2 HD12 LEU 2 -20.003 11.635 4.054 19 3HD1 LEU 2 HD13 LEU 2 -21.644 11.751 3.417 20 1HD2 LEU 2 HD21 LEU 2 -18.924 14.161 4.945 21 2HD2 LEU 2 HD22 LEU 2 -20.241 13.720 6.029 22 3HD2 LEU 2 HD23 LEU 2 -20.252 15.286 5.227 23 H VAL 3 HN VAL 3 -17.396 15.600 2.094 24 HA VAL 3 HA VAL 3 -17.436 15.714 -0.900 25 HB VAL 3 HB VAL 3 -15.603 17.380 -0.782 26 1HG1 VAL 3 HG11 VAL 3 -18.201 18.066 0.615 27 2HG1 VAL 3 HG12 VAL 3 -17.821 18.253 -1.098 28 3HG1 VAL 3 HG13 VAL 3 -17.032 19.281 0.099 29 1HG2 VAL 3 HG21 VAL 3 -16.255 17.414 2.184 30 2HG2 VAL 3 HG22 VAL 3 -15.130 18.495 1.364 31 3HG2 VAL 3 HG23 VAL 3 -14.771 16.774 1.479 32 H LYS 4 HN LYS 4 -15.373 15.053 -1.868 33 HA LYS 4 HA LYS 4 -14.361 12.636 -0.793 34 1HB LYS 4 HB2 LYS 4 -12.371 13.230 -2.443 35 2HB LYS 4 HB1 LYS 4 -13.971 12.852 -3.081 36 1HG LYS 4 HG2 LYS 4 -14.499 15.141 -3.427 37 2HG LYS 4 HG1 LYS 4 -13.156 15.686 -2.422 38 1HD LYS 4 HD2 LYS 4 -11.542 14.923 -4.057 39 2HD LYS 4 HD1 LYS 4 -12.808 14.154 -5.014 40 1HE LYS 4 HE2 LYS 4 -12.799 17.120 -4.418 41 2HE LYS 4 HE1 LYS 4 -12.027 16.435 -5.850 42 1HZ LYS 4 HZ1 LYS 4 -14.350 17.177 -6.206 43 2HZ LYS 4 HZ2 LYS 4 -14.866 15.979 -5.117 44 3HZ LYS 4 HZ3 LYS 4 -14.097 15.538 -6.567 45 HA PRO 5 HA PRO 5 -11.922 14.414 2.619 46 1HB PRO 5 HB2 PRO 5 -10.395 11.878 2.083 47 2HB PRO 5 HB1 PRO 5 -10.879 12.593 3.638 48 1HG PRO 5 HG2 PRO 5 -12.230 10.558 2.600 49 2HG PRO 5 HG1 PRO 5 -13.067 11.879 3.434 50 1HD PRO 5 HD2 PRO 5 -12.961 11.277 0.513 51 2HD PRO 5 HD1 PRO 5 -14.225 12.104 1.452 52 HA PRO 6 HA PRO 6 -8.980 16.507 -0.181 53 1HB PRO 6 HB2 PRO 6 -7.687 16.987 2.493 54 2HB PRO 6 HB1 PRO 6 -7.927 18.116 1.143 55 1HG PRO 6 HG2 PRO 6 -9.528 18.177 3.256 56 2HG PRO 6 HG1 PRO 6 -10.170 18.418 1.621 57 1HD PRO 6 HD2 PRO 6 -10.458 16.054 3.417 58 2HD PRO 6 HD1 PRO 6 -11.537 16.633 2.129 59 H TYR 7 HN TYR 7 -8.274 13.824 1.883 60 HA TYR 7 HA TYR 7 -5.440 13.658 1.420 61 1HB TYR 7 HB2 TYR 7 -7.335 11.346 1.907 62 2HB TYR 7 HB1 TYR 7 -5.608 11.402 2.253 63 HD1 TYR 7 HD1 TYR 7 -8.756 11.663 3.729 64 HD2 TYR 7 HD2 TYR 7 -4.908 13.570 3.735 65 HE1 TYR 7 HE1 TYR 7 -9.241 12.617 5.960 66 HE2 TYR 7 HE2 TYR 7 -5.385 14.519 5.976 67 HH TYR 7 HH TYR 7 -7.935 15.052 7.242 68 H SER 8 HN SER 8 -4.310 12.614 -0.215 69 HA SER 8 HA SER 8 -5.668 12.273 -2.761 70 1HB SER 8 HB2 SER 8 -2.841 11.571 -1.910 71 2HB SER 8 HB1 SER 8 -3.429 11.572 -3.571 72 HG SER 8 HG SER 8 -3.694 13.751 -3.473 73 H TYR 9 HN TYR 9 -5.508 10.199 -4.010 74 HA TYR 9 HA TYR 9 -6.653 8.016 -2.588 75 1HB TYR 9 HB2 TYR 9 -5.235 8.112 -5.266 76 2HB TYR 9 HB1 TYR 9 -6.109 6.700 -4.668 77 HD1 TYR 9 HD1 TYR 9 -6.418 10.157 -5.894 78 HD2 TYR 9 HD2 TYR 9 -8.547 6.718 -4.447 79 HE1 TYR 9 HE1 TYR 9 -8.548 11.141 -6.694 80 HE2 TYR 9 HE2 TYR 9 -10.679 7.703 -5.247 81 HH TYR 9 HH TYR 9 -11.315 10.543 -5.741 82 H ILE 10 HN ILE 10 -3.282 8.659 -3.557 83 HA ILE 10 HA ILE 10 -2.258 6.117 -2.657 84 HB ILE 10 HB ILE 10 -0.804 8.778 -2.812 85 1HG1 ILE 10 HG12 ILE 10 -1.800 8.339 -4.975 86 2HG1 ILE 10 HG11 ILE 10 -0.087 7.948 -5.077 87 1HG2 ILE 10 HG21 ILE 10 0.103 5.893 -2.738 88 2HG2 ILE 10 HG22 ILE 10 0.505 7.182 -1.603 89 3HG2 ILE 10 HG23 ILE 10 1.157 7.214 -3.241 90 1HD1 ILE 10 HD11 ILE 10 -0.855 5.522 -4.470 91 2HD1 ILE 10 HD12 ILE 10 -1.095 6.106 -6.116 92 3HD1 ILE 10 HD13 ILE 10 -2.446 6.083 -4.984 93 H ALA 11 HN ALA 11 -2.646 9.283 -1.098 94 HA ALA 11 HA ALA 11 -1.307 8.666 1.341 95 1HB ALA 11 HB1 ALA 11 -2.528 10.552 2.287 96 2HB ALA 11 HB2 ALA 11 -3.725 10.476 0.994 97 3HB ALA 11 HB3 ALA 11 -2.067 10.961 0.634 98 H LEU 12 HN LEU 12 -4.761 8.342 0.466 99 HA LEU 12 HA LEU 12 -5.617 7.336 2.988 100 1HB LEU 12 HB2 LEU 12 -6.674 6.852 0.191 101 2HB LEU 12 HB1 LEU 12 -7.508 6.322 1.649 102 HG LEU 12 HG LEU 12 -6.712 9.201 1.124 103 1HD1 LEU 12 HD11 LEU 12 -8.302 8.603 -0.574 104 2HD1 LEU 12 HD12 LEU 12 -9.192 9.483 0.669 105 3HD1 LEU 12 HD13 LEU 12 -9.299 7.725 0.586 106 1HD2 LEU 12 HD21 LEU 12 -8.306 7.776 3.255 107 2HD2 LEU 12 HD22 LEU 12 -8.686 9.449 2.856 108 3HD2 LEU 12 HD23 LEU 12 -7.081 9.031 3.438 109 H ILE 13 HN ILE 13 -4.310 5.664 0.139 110 HA ILE 13 HA ILE 13 -4.662 3.013 1.243 111 HB ILE 13 HB ILE 13 -2.781 4.049 -0.903 112 1HG1 ILE 13 HG12 ILE 13 -5.370 2.492 -1.161 113 2HG1 ILE 13 HG11 ILE 13 -5.280 4.249 -1.279 114 1HG2 ILE 13 HG21 ILE 13 -3.523 1.222 -0.090 115 2HG2 ILE 13 HG22 ILE 13 -1.918 1.951 -0.020 116 3HG2 ILE 13 HG23 ILE 13 -2.676 1.635 -1.580 117 1HD1 ILE 13 HD11 ILE 13 -3.885 2.240 -3.070 118 2HD1 ILE 13 HD12 ILE 13 -3.608 3.981 -3.132 119 3HD1 ILE 13 HD13 ILE 13 -5.199 3.327 -3.523 120 H THR 14 HN THR 14 -2.030 5.379 1.221 121 HA THR 14 HA THR 14 -0.043 3.769 2.468 122 HB THR 14 HB THR 14 -0.476 6.755 2.671 123 HG1 THR 14 HG1 THR 14 0.449 6.854 0.789 124 1HG2 THR 14 HG21 THR 14 1.826 4.949 3.398 125 2HG2 THR 14 HG22 THR 14 1.053 6.193 4.380 126 3HG2 THR 14 HG23 THR 14 2.076 6.654 3.021 127 H MET 15 HN MET 15 -2.612 5.800 3.824 128 HA MET 15 HA MET 15 -1.799 5.496 6.571 129 1HB MET 15 HB2 MET 15 -4.454 6.219 5.309 130 2HB MET 15 HB1 MET 15 -4.177 6.220 7.051 131 1HG MET 15 HG2 MET 15 -2.314 7.834 6.729 132 2HG MET 15 HG1 MET 15 -2.669 7.871 5.003 133 1HE MET 15 HE1 MET 15 -2.320 10.212 6.111 134 2HE MET 15 HE2 MET 15 -3.668 11.253 6.562 135 3HE MET 15 HE3 MET 15 -3.492 10.726 4.890 136 H ALA 16 HN ALA 16 -4.051 3.723 4.486 137 HA ALA 16 HA ALA 16 -5.236 2.075 6.455 138 1HB ALA 16 HB1 ALA 16 -4.523 1.076 3.697 139 2HB ALA 16 HB2 ALA 16 -5.764 2.305 3.928 140 3HB ALA 16 HB3 ALA 16 -5.954 0.711 4.662 141 H ILE 17 HN ILE 17 -2.290 1.507 4.519 142 HA ILE 17 HA ILE 17 -1.650 -1.051 5.588 143 HB ILE 17 HB ILE 17 0.258 1.131 4.681 144 1HG1 ILE 17 HG12 ILE 17 -0.926 -1.140 3.066 145 2HG1 ILE 17 HG11 ILE 17 -1.606 0.488 3.078 146 1HG2 ILE 17 HG21 ILE 17 1.679 -0.867 4.094 147 2HG2 ILE 17 HG22 ILE 17 0.510 -1.881 4.939 148 3HG2 ILE 17 HG23 ILE 17 1.425 -0.663 5.828 149 1HD1 ILE 17 HD11 ILE 17 1.217 -0.255 2.257 150 2HD1 ILE 17 HD12 ILE 17 0.586 1.392 2.340 151 3HD1 ILE 17 HD13 ILE 17 -0.083 0.248 1.176 152 H GLN 18 HN GLN 18 -0.525 2.182 6.551 153 HA GLN 18 HA GLN 18 1.008 1.272 8.807 154 1HB GLN 18 HB2 GLN 18 -0.172 3.967 8.102 155 2HB GLN 18 HB1 GLN 18 0.865 3.707 9.505 156 1HG GLN 18 HG2 GLN 18 2.681 2.940 8.076 157 2HG GLN 18 HG1 GLN 18 1.645 3.036 6.651 158 1HE2 GLN 18 HE21 GLN 18 4.166 4.574 7.207 159 2HE2 GLN 18 HE22 GLN 18 3.725 6.211 7.131 160 H ASN 19 HN ASN 19 -2.328 2.463 8.505 161 HA ASN 19 HA ASN 19 -2.841 2.463 11.343 162 1HB ASN 19 HB2 ASN 19 -4.606 2.503 8.897 163 2HB ASN 19 HB1 ASN 19 -5.290 2.429 10.520 164 1HD2 ASN 19 HD21 ASN 19 -2.839 4.358 8.689 165 2HD2 ASN 19 HD22 ASN 19 -3.231 5.830 9.437 166 H ALA 20 HN ALA 20 -2.600 -0.084 9.050 167 HA ALA 20 HA ALA 20 -4.442 -1.885 10.412 168 1HB ALA 20 HB1 ALA 20 -3.657 -3.563 8.873 169 2HB ALA 20 HB2 ALA 20 -2.198 -2.637 8.519 170 3HB ALA 20 HB3 ALA 20 -3.769 -2.053 7.967 171 HA PRO 21 HA PRO 21 -1.610 -3.143 13.620 172 1HB PRO 21 HB2 PRO 21 -2.438 -5.758 14.022 173 2HB PRO 21 HB1 PRO 21 -3.287 -4.341 14.666 174 1HG PRO 21 HG2 PRO 21 -3.907 -5.980 12.254 175 2HG PRO 21 HG1 PRO 21 -5.008 -5.248 13.434 176 1HD PRO 21 HD2 PRO 21 -4.570 -4.152 10.974 177 2HD PRO 21 HD1 PRO 21 -4.943 -3.162 12.403 178 H GLU 22 HN GLU 22 -2.150 -5.487 11.007 179 HA GLU 22 HA GLU 22 0.753 -6.230 11.082 180 1HB GLU 22 HB2 GLU 22 -1.672 -7.622 9.894 181 2HB GLU 22 HB1 GLU 22 -0.011 -8.147 9.619 182 1HG GLU 22 HG2 GLU 22 0.322 -8.484 12.014 183 2HG GLU 22 HG1 GLU 22 -1.295 -7.863 12.352 184 H LYS 23 HN LYS 23 1.981 -5.373 9.444 185 HA LYS 23 HA LYS 23 0.904 -3.559 7.538 186 1HB LYS 23 HB2 LYS 23 3.482 -5.158 7.376 187 2HB LYS 23 HB1 LYS 23 3.101 -3.741 6.399 188 1HG LYS 23 HG2 LYS 23 3.153 -3.692 9.427 189 2HG LYS 23 HG1 LYS 23 4.554 -3.292 8.438 190 1HD LYS 23 HD2 LYS 23 3.039 -1.580 7.263 191 2HD LYS 23 HD1 LYS 23 1.906 -1.837 8.588 192 1HE LYS 23 HE2 LYS 23 3.373 0.084 9.047 193 2HE LYS 23 HE1 LYS 23 3.634 -1.210 10.215 194 1HZ LYS 23 HZ1 LYS 23 5.296 -1.545 7.941 195 2HZ LYS 23 HZ2 LYS 23 5.730 -1.397 9.577 196 3HZ LYS 23 HZ3 LYS 23 5.528 -0.008 8.619 197 H LYS 24 HN LYS 24 1.151 -7.019 7.522 198 HA LYS 24 HA LYS 24 0.729 -7.269 4.633 199 1HB LYS 24 HB2 LYS 24 0.379 -9.340 6.828 200 2HB LYS 24 HB1 LYS 24 0.534 -9.659 5.097 201 1HG LYS 24 HG2 LYS 24 2.794 -8.668 5.114 202 2HG LYS 24 HG1 LYS 24 2.643 -8.353 6.843 203 1HD LYS 24 HD2 LYS 24 2.359 -10.780 7.249 204 2HD LYS 24 HD1 LYS 24 2.560 -11.082 5.524 205 1HE LYS 24 HE2 LYS 24 4.717 -11.448 6.428 206 2HE LYS 24 HE1 LYS 24 4.805 -9.821 5.756 207 1HZ LYS 24 HZ1 LYS 24 3.944 -10.142 8.539 208 2HZ LYS 24 HZ2 LYS 24 4.797 -8.866 7.811 209 3HZ LYS 24 HZ3 LYS 24 5.594 -10.319 8.184 210 H ILE 25 HN ILE 25 -1.185 -5.926 4.440 211 HA ILE 25 HA ILE 25 -3.680 -7.053 5.654 212 HB ILE 25 HB ILE 25 -3.270 -4.672 6.121 213 1HG1 ILE 25 HG12 ILE 25 -5.461 -4.924 4.047 214 2HG1 ILE 25 HG11 ILE 25 -5.594 -5.623 5.660 215 1HG2 ILE 25 HG21 ILE 25 -3.156 -3.042 4.320 216 2HG2 ILE 25 HG22 ILE 25 -3.392 -4.306 3.113 217 3HG2 ILE 25 HG23 ILE 25 -1.905 -4.258 4.059 218 1HD1 ILE 25 HD11 ILE 25 -4.931 -2.707 5.222 219 2HD1 ILE 25 HD12 ILE 25 -5.473 -3.486 6.708 220 3HD1 ILE 25 HD13 ILE 25 -6.592 -3.284 5.359 221 H THR 26 HN THR 26 -5.435 -7.558 4.284 222 HA THR 26 HA THR 26 -4.647 -8.351 1.591 223 HB THR 26 HB THR 26 -7.492 -8.455 2.574 224 HG1 THR 26 HG1 THR 26 -5.982 -9.113 4.260 225 1HG2 THR 26 HG21 THR 26 -6.689 -9.284 0.289 226 2HG2 THR 26 HG22 THR 26 -7.580 -10.449 1.268 227 3HG2 THR 26 HG23 THR 26 -5.823 -10.545 1.167 228 H LEU 27 HN LEU 27 -5.707 -7.719 -0.327 229 HA LEU 27 HA LEU 27 -5.932 -4.926 -0.734 230 1HB LEU 27 HB2 LEU 27 -5.389 -6.645 -2.448 231 2HB LEU 27 HB1 LEU 27 -7.047 -7.223 -2.375 232 HG LEU 27 HG LEU 27 -7.859 -5.054 -3.213 233 1HD1 LEU 27 HD11 LEU 27 -5.914 -3.538 -4.138 234 2HD1 LEU 27 HD12 LEU 27 -4.944 -4.338 -2.906 235 3HD1 LEU 27 HD13 LEU 27 -6.370 -3.409 -2.442 236 1HD2 LEU 27 HD21 LEU 27 -6.979 -5.294 -5.469 237 2HD2 LEU 27 HD22 LEU 27 -7.132 -6.894 -4.750 238 3HD2 LEU 27 HD23 LEU 27 -5.550 -6.124 -4.859 239 H ASN 28 HN ASN 28 -8.485 -7.411 -0.481 240 HA ASN 28 HA ASN 28 -10.713 -5.680 -0.822 241 1HB ASN 28 HB2 ASN 28 -10.417 -8.267 0.717 242 2HB ASN 28 HB1 ASN 28 -11.965 -7.467 0.444 243 1HD2 ASN 28 HD21 ASN 28 -12.217 -6.819 -2.075 244 2HD2 ASN 28 HD22 ASN 28 -11.815 -8.062 -3.158 245 H GLY 29 HN GLY 29 -8.919 -6.599 2.107 246 1HA GLY 29 HA2 GLY 29 -10.647 -5.411 4.013 247 2HA GLY 29 HA1 GLY 29 -8.924 -5.671 4.257 248 H ILE 30 HN ILE 30 -7.964 -3.942 2.164 249 HA ILE 30 HA ILE 30 -7.948 -1.455 3.548 250 HB ILE 30 HB ILE 30 -7.311 -2.070 0.649 251 1HG1 ILE 30 HG12 ILE 30 -5.453 -1.563 2.987 252 2HG1 ILE 30 HG11 ILE 30 -5.973 -3.183 2.517 253 1HG2 ILE 30 HG21 ILE 30 -6.846 0.406 2.337 254 2HG2 ILE 30 HG22 ILE 30 -7.738 0.303 0.819 255 3HG2 ILE 30 HG23 ILE 30 -5.987 0.088 0.831 256 1HD1 ILE 30 HD11 ILE 30 -5.094 -2.743 0.217 257 2HD1 ILE 30 HD12 ILE 30 -3.836 -2.703 1.452 258 3HD1 ILE 30 HD13 ILE 30 -4.470 -1.196 0.789 259 H TYR 31 HN TYR 31 -9.929 -2.579 0.808 260 HA TYR 31 HA TYR 31 -11.208 -0.085 0.271 261 1HB TYR 31 HB2 TYR 31 -12.047 -2.962 -0.083 262 2HB TYR 31 HB1 TYR 31 -13.157 -1.652 -0.475 263 HD1 TYR 31 HD1 TYR 31 -12.422 0.127 -2.121 264 HD2 TYR 31 HD2 TYR 31 -10.296 -3.560 -1.582 265 HE1 TYR 31 HE1 TYR 31 -11.335 0.429 -4.323 266 HE2 TYR 31 HE2 TYR 31 -9.212 -3.260 -3.791 267 HH TYR 31 HH TYR 31 -8.767 -0.788 -5.298 268 H GLN 32 HN GLN 32 -11.984 -2.644 2.613 269 HA GLN 32 HA GLN 32 -14.458 -1.565 3.532 270 1HB GLN 32 HB2 GLN 32 -13.586 -3.854 4.064 271 2HB GLN 32 HB1 GLN 32 -12.422 -3.111 5.158 272 1HG GLN 32 HG2 GLN 32 -14.329 -3.827 6.467 273 2HG GLN 32 HG1 GLN 32 -14.353 -2.067 6.393 274 1HE2 GLN 32 HE21 GLN 32 -16.594 -1.627 6.410 275 2HE2 GLN 32 HE22 GLN 32 -17.692 -2.259 5.280 276 H PHE 33 HN PHE 33 -11.121 -0.966 4.531 277 HA PHE 33 HA PHE 33 -11.632 0.616 6.821 278 1HB PHE 33 HB2 PHE 33 -9.422 -0.273 6.233 279 2HB PHE 33 HB1 PHE 33 -9.353 0.793 4.832 280 HD1 PHE 33 HD1 PHE 33 -8.990 3.188 5.080 281 HD2 PHE 33 HD2 PHE 33 -9.221 0.615 8.512 282 HE1 PHE 33 HE1 PHE 33 -8.052 4.994 6.497 283 HE2 PHE 33 HE2 PHE 33 -8.283 2.421 9.929 284 HZ PHE 33 HZ PHE 33 -7.697 4.610 8.922 285 H ILE 34 HN ILE 34 -11.290 1.657 3.407 286 HA ILE 34 HA ILE 34 -11.542 4.456 4.037 287 HB ILE 34 HB ILE 34 -12.050 2.987 1.439 288 1HG1 ILE 34 HG12 ILE 34 -9.622 4.546 2.373 289 2HG1 ILE 34 HG11 ILE 34 -9.762 2.793 2.504 290 1HG2 ILE 34 HG21 ILE 34 -11.935 5.910 2.179 291 2HG2 ILE 34 HG22 ILE 34 -13.078 5.076 1.126 292 3HG2 ILE 34 HG23 ILE 34 -11.434 5.385 0.571 293 1HD1 ILE 34 HD11 ILE 34 -10.078 4.293 -0.107 294 2HD1 ILE 34 HD12 ILE 34 -9.938 2.549 0.116 295 3HD1 ILE 34 HD13 ILE 34 -8.552 3.593 0.434 296 H MET 35 HN MET 35 -13.955 2.020 3.010 297 HA MET 35 HA MET 35 -16.083 3.953 2.782 298 1HB MET 35 HB2 MET 35 -16.115 0.950 3.140 299 2HB MET 35 HB1 MET 35 -17.579 1.914 2.926 300 1HG MET 35 HG2 MET 35 -16.646 2.803 0.796 301 2HG MET 35 HG1 MET 35 -15.243 1.756 0.996 302 1HE MET 35 HE1 MET 35 -15.031 -0.468 0.255 303 2HE MET 35 HE2 MET 35 -16.289 -1.701 0.253 304 3HE MET 35 HE3 MET 35 -15.823 -0.931 1.766 305 H ASP 36 HN ASP 36 -15.003 1.862 5.464 306 HA ASP 36 HA ASP 36 -17.183 2.636 7.204 307 1HB ASP 36 HB2 ASP 36 -14.457 1.441 7.761 308 2HB ASP 36 HB1 ASP 36 -15.662 1.729 9.016 309 H ARG 37 HN ARG 37 -13.785 3.691 6.934 310 HA ARG 37 HA ARG 37 -14.011 5.677 9.008 311 1HB ARG 37 HB2 ARG 37 -12.027 5.242 6.771 312 2HB ARG 37 HB1 ARG 37 -11.872 6.576 7.911 313 1HG ARG 37 HG2 ARG 37 -12.245 3.779 8.968 314 2HG ARG 37 HG1 ARG 37 -10.658 4.276 8.392 315 1HD ARG 37 HD2 ARG 37 -10.511 6.036 9.993 316 2HD ARG 37 HD1 ARG 37 -12.219 5.923 10.396 317 HE ARG 37 HE ARG 37 -11.192 3.418 11.035 318 1HH1 ARG 37 HH21 ARG 37 -10.483 6.709 11.799 319 2HH1 ARG 37 HH22 ARG 37 -9.884 6.348 13.384 320 1HH2 ARG 37 HH11 ARG 37 -10.419 2.937 13.105 321 2HH2 ARG 37 HH12 ARG 37 -9.849 4.218 14.121 322 H PHE 38 HN PHE 38 -14.475 5.768 5.502 323 HA PHE 38 HA PHE 38 -15.511 8.572 5.801 324 1HB PHE 38 HB2 PHE 38 -13.963 7.451 3.442 325 2HB PHE 38 HB1 PHE 38 -14.615 9.082 3.583 326 HD1 PHE 38 HD1 PHE 38 -13.717 10.650 5.311 327 HD2 PHE 38 HD2 PHE 38 -11.931 6.815 4.562 328 HE1 PHE 38 HE1 PHE 38 -11.657 11.377 6.491 329 HE2 PHE 38 HE2 PHE 38 -9.876 7.541 5.746 330 HZ PHE 38 HZ PHE 38 -9.740 9.822 6.710 331 HA PRO 39 HA PRO 39 -18.885 5.690 4.302 332 1HB PRO 39 HB2 PRO 39 -20.356 8.057 5.426 333 2HB PRO 39 HB1 PRO 39 -20.718 6.328 5.591 334 1HG PRO 39 HG2 PRO 39 -19.624 7.674 7.594 335 2HG PRO 39 HG1 PRO 39 -19.118 6.014 7.234 336 1HD PRO 39 HD2 PRO 39 -17.678 8.581 6.683 337 2HD PRO 39 HD1 PRO 39 -17.014 6.986 7.101 338 H PHE 40 HN PHE 40 -17.653 8.698 3.464 339 HA PHE 40 HA PHE 40 -19.590 9.771 1.682 340 1HB PHE 40 HB2 PHE 40 -17.778 11.173 2.239 341 2HB PHE 40 HB1 PHE 40 -16.584 9.928 1.892 342 HD1 PHE 40 HD1 PHE 40 -19.202 12.040 0.241 343 HD2 PHE 40 HD2 PHE 40 -15.510 9.878 -0.199 344 HE1 PHE 40 HE1 PHE 40 -18.958 12.926 -2.063 345 HE2 PHE 40 HE2 PHE 40 -15.272 10.765 -2.506 346 HZ PHE 40 HZ PHE 40 -16.995 12.287 -3.436 347 H TYR 41 HN TYR 41 -17.067 7.338 1.206 348 HA TYR 41 HA TYR 41 -17.438 7.073 -1.634 349 1HB TYR 41 HB2 TYR 41 -16.197 5.280 0.460 350 2HB TYR 41 HB1 TYR 41 -16.164 4.914 -1.270 351 HD1 TYR 41 HD1 TYR 41 -14.890 6.290 -2.825 352 HD2 TYR 41 HD2 TYR 41 -14.997 7.208 1.360 353 HE1 TYR 41 HE1 TYR 41 -13.009 7.871 -3.134 354 HE2 TYR 41 HE2 TYR 41 -13.121 8.793 1.068 355 HH TYR 41 HH TYR 41 -12.226 10.090 -1.689 356 H ARG 42 HN ARG 42 -19.146 5.721 1.102 357 HA ARG 42 HA ARG 42 -20.218 3.396 -0.127 358 1HB ARG 42 HB2 ARG 42 -21.358 5.255 1.969 359 2HB ARG 42 HB1 ARG 42 -22.170 3.774 1.468 360 1HG ARG 42 HG2 ARG 42 -20.220 2.452 2.133 361 2HG ARG 42 HG1 ARG 42 -19.353 3.919 2.583 362 1HD ARG 42 HD2 ARG 42 -21.034 4.426 4.281 363 2HD ARG 42 HD1 ARG 42 -21.984 3.026 3.811 364 HE ARG 42 HE ARG 42 -19.720 3.097 5.613 365 1HH1 ARG 42 HH21 ARG 42 -21.127 1.186 3.107 366 2HH1 ARG 42 HH22 ARG 42 -20.280 -0.255 3.567 367 1HH2 ARG 42 HH11 ARG 42 -18.627 1.240 6.216 368 2HH2 ARG 42 HH12 ARG 42 -18.866 -0.223 5.321 369 H GLU 43 HN GLU 43 -21.330 6.780 -0.220 370 HA GLU 43 HA GLU 43 -23.741 6.214 -1.662 371 1HB GLU 43 HB2 GLU 43 -22.098 8.738 -1.393 372 2HB GLU 43 HB1 GLU 43 -23.642 8.680 -2.246 373 1HG GLU 43 HG2 GLU 43 -24.794 7.954 -0.242 374 2HG GLU 43 HG1 GLU 43 -23.269 7.788 0.626 375 H ASN 44 HN ASN 44 -20.481 6.327 -2.606 376 HA ASN 44 HA ASN 44 -21.278 6.012 -5.479 377 1HB ASN 44 HB2 ASN 44 -18.858 7.553 -4.488 378 2HB ASN 44 HB1 ASN 44 -19.335 7.321 -6.170 379 1HD2 ASN 44 HD21 ASN 44 -21.634 8.191 -6.705 380 2HD2 ASN 44 HD22 ASN 44 -22.113 9.623 -5.931 381 H LYS 45 HN LYS 45 -20.954 3.764 -5.468 382 HA LYS 45 HA LYS 45 -18.460 2.663 -4.339 383 1HB LYS 45 HB2 LYS 45 -20.825 1.377 -5.724 384 2HB LYS 45 HB1 LYS 45 -19.441 0.480 -5.097 385 1HG LYS 45 HG2 LYS 45 -19.877 1.373 -2.841 386 2HG LYS 45 HG1 LYS 45 -21.265 2.269 -3.462 387 1HD LYS 45 HD2 LYS 45 -22.318 0.144 -4.162 388 2HD LYS 45 HD1 LYS 45 -20.937 -0.746 -3.519 389 1HE LYS 45 HE2 LYS 45 -22.784 -0.727 -1.891 390 2HE LYS 45 HE1 LYS 45 -21.399 0.173 -1.268 391 1HZ LYS 45 HZ1 LYS 45 -23.232 1.758 -2.827 392 2HZ LYS 45 HZ2 LYS 45 -22.524 2.085 -1.317 393 3HZ LYS 45 HZ3 LYS 45 -23.920 1.120 -1.413 394 H GLN 46 HN GLN 46 -20.001 2.890 -7.557 395 HA GLN 46 HA GLN 46 -17.680 1.702 -8.867 396 1HB GLN 46 HB2 GLN 46 -20.146 3.107 -9.925 397 2HB GLN 46 HB1 GLN 46 -18.900 2.419 -10.967 398 1HG GLN 46 HG2 GLN 46 -19.262 0.202 -9.935 399 2HG GLN 46 HG1 GLN 46 -20.512 0.892 -8.900 400 1HE2 GLN 46 HE21 GLN 46 -20.061 -0.720 -11.828 401 2HE2 GLN 46 HE22 GLN 46 -21.519 -0.292 -12.585 402 H GLY 47 HN GLY 47 -16.092 2.779 -10.064 403 1HA GLY 47 HA2 GLY 47 -15.268 4.804 -11.195 404 2HA GLY 47 HA1 GLY 47 -16.107 5.776 -9.992 405 H TRP 48 HN TRP 48 -15.332 4.915 -7.603 406 HA TRP 48 HA TRP 48 -12.431 5.481 -7.602 407 1HB TRP 48 HB2 TRP 48 -12.689 6.017 -5.316 408 2HB TRP 48 HB1 TRP 48 -14.186 6.572 -6.058 409 HD1 TRP 48 HD1 TRP 48 -16.387 5.018 -5.682 410 HE1 TRP 48 HE1 TRP 48 -16.983 3.416 -3.759 411 HE3 TRP 48 HE3 TRP 48 -11.776 4.393 -3.581 412 HZ2 TRP 48 HZ2 TRP 48 -15.687 2.040 -1.617 413 HZ3 TRP 48 HZ3 TRP 48 -11.486 2.933 -1.600 414 HH2 TRP 48 HH2 TRP 48 -13.433 1.757 -0.615 415 H GLN 49 HN GLN 49 -14.466 2.748 -7.463 416 HA GLN 49 HA GLN 49 -13.068 1.070 -5.666 417 1HB GLN 49 HB2 GLN 49 -15.286 0.579 -6.732 418 2HB GLN 49 HB1 GLN 49 -14.427 0.196 -8.223 419 1HG GLN 49 HG2 GLN 49 -13.115 -1.528 -6.979 420 2HG GLN 49 HG1 GLN 49 -14.089 -1.190 -5.548 421 1HE2 GLN 49 HE21 GLN 49 -15.333 -3.113 -5.417 422 2HE2 GLN 49 HE22 GLN 49 -16.354 -3.655 -6.660 423 H ASN 50 HN ASN 50 -12.616 1.360 -9.213 424 HA ASN 50 HA ASN 50 -10.378 -0.482 -9.202 425 1HB ASN 50 HB2 ASN 50 -11.359 1.457 -11.309 426 2HB ASN 50 HB1 ASN 50 -10.102 0.248 -11.570 427 1HD2 ASN 50 HD21 ASN 50 -13.103 0.573 -12.509 428 2HD2 ASN 50 HD22 ASN 50 -13.740 -0.978 -12.247 429 H SER 51 HN SER 51 -10.631 3.061 -9.201 430 HA SER 51 HA SER 51 -7.941 3.664 -9.818 431 1HB SER 51 HB2 SER 51 -8.334 5.816 -8.765 432 2HB SER 51 HB1 SER 51 -9.789 5.333 -9.630 433 HG SER 51 HG SER 51 -9.600 5.987 -7.117 434 H ILE 52 HN ILE 52 -9.271 2.334 -6.887 435 HA ILE 52 HA ILE 52 -7.045 3.117 -5.193 436 HB ILE 52 HB ILE 52 -9.174 0.995 -4.903 437 1HG1 ILE 52 HG12 ILE 52 -9.716 3.555 -4.896 438 2HG1 ILE 52 HG11 ILE 52 -10.392 2.531 -3.636 439 1HG2 ILE 52 HG21 ILE 52 -6.964 1.846 -3.047 440 2HG2 ILE 52 HG22 ILE 52 -7.454 0.216 -3.508 441 3HG2 ILE 52 HG23 ILE 52 -8.465 1.165 -2.420 442 1HD1 ILE 52 HD11 ILE 52 -7.749 3.898 -3.184 443 2HD1 ILE 52 HD12 ILE 52 -8.928 3.338 -2.006 444 3HD1 ILE 52 HD13 ILE 52 -9.256 4.783 -2.960 445 H ARG 53 HN ARG 53 -8.033 -0.197 -6.132 446 HA ARG 53 HA ARG 53 -5.419 -1.242 -5.561 447 1HB ARG 53 HB2 ARG 53 -6.239 -3.331 -6.443 448 2HB ARG 53 HB1 ARG 53 -7.524 -2.577 -5.502 449 1HG ARG 53 HG2 ARG 53 -8.285 -1.580 -7.783 450 2HG ARG 53 HG1 ARG 53 -7.279 -2.842 -8.492 451 1HD ARG 53 HD2 ARG 53 -8.723 -4.253 -6.584 452 2HD ARG 53 HD1 ARG 53 -9.902 -3.079 -7.155 453 HE ARG 53 HE ARG 53 -9.154 -5.412 -8.540 454 1HH1 ARG 53 HH21 ARG 53 -9.257 -2.012 -9.142 455 2HH1 ARG 53 HH22 ARG 53 -9.399 -2.196 -10.856 456 1HH2 ARG 53 HH11 ARG 53 -9.356 -5.658 -10.761 457 2HH2 ARG 53 HH12 ARG 53 -9.462 -4.255 -11.771 458 H HIS 54 HN HIS 54 -6.822 0.124 -8.478 459 HA HIS 54 HA HIS 54 -5.009 -1.010 -10.368 460 1HB HIS 54 HB2 HIS 54 -6.984 0.335 -11.042 461 2HB HIS 54 HB1 HIS 54 -6.214 1.778 -10.376 462 HD1 HIS 54 HD1 HIS 54 -5.387 -0.953 -12.908 463 HD2 HIS 54 HD2 HIS 54 -4.654 3.099 -12.251 464 HE1 HIS 54 HE1 HIS 54 -4.039 -0.139 -14.890 465 H ASN 55 HN ASN 55 -4.766 1.857 -8.291 466 HA ASN 55 HA ASN 55 -2.236 2.773 -9.249 467 1HB ASN 55 HB2 ASN 55 -3.605 3.083 -6.568 468 2HB ASN 55 HB1 ASN 55 -2.094 3.895 -6.983 469 1HD2 ASN 55 HD21 ASN 55 -4.701 5.216 -6.471 470 2HD2 ASN 55 HD22 ASN 55 -5.105 6.039 -7.899 471 H LEU 56 HN LEU 56 -3.105 0.452 -6.694 472 HA LEU 56 HA LEU 56 -0.428 0.063 -5.742 473 1HB LEU 56 HB2 LEU 56 -2.904 -1.662 -5.653 474 2HB LEU 56 HB1 LEU 56 -1.375 -2.206 -4.970 475 HG LEU 56 HG LEU 56 -2.760 0.383 -4.208 476 1HD1 LEU 56 HD11 LEU 56 -4.197 -1.278 -3.376 477 2HD1 LEU 56 HD12 LEU 56 -3.116 -0.987 -2.016 478 3HD1 LEU 56 HD13 LEU 56 -2.876 -2.398 -3.044 479 1HD2 LEU 56 HD21 LEU 56 -0.207 -0.974 -3.386 480 2HD2 LEU 56 HD22 LEU 56 -1.128 -0.142 -2.135 481 3HD2 LEU 56 HD23 LEU 56 -0.566 0.745 -3.546 482 H SER 57 HN SER 57 0.178 0.158 -8.282 483 HA SER 57 HA SER 57 1.099 -2.544 -8.911 484 1HB SER 57 HB2 SER 57 -1.135 -2.635 -9.903 485 2HB SER 57 HB1 SER 57 -0.845 -1.118 -10.751 486 HG SER 57 HG SER 57 -0.450 -2.908 -12.099 487 H LEU 58 HN LEU 58 0.591 0.673 -10.443 488 HA LEU 58 HA LEU 58 3.012 0.541 -11.983 489 1HB LEU 58 HB2 LEU 58 1.320 2.876 -11.066 490 2HB LEU 58 HB1 LEU 58 2.735 3.067 -12.099 491 HG LEU 58 HG LEU 58 1.712 1.476 -13.729 492 1HD1 LEU 58 HD11 LEU 58 -0.499 1.541 -11.677 493 2HD1 LEU 58 HD12 LEU 58 0.203 0.153 -12.511 494 3HD1 LEU 58 HD13 LEU 58 -0.870 1.249 -13.376 495 1HD2 LEU 58 HD21 LEU 58 0.152 3.957 -12.959 496 2HD2 LEU 58 HD22 LEU 58 -0.085 3.090 -14.475 497 3HD2 LEU 58 HD23 LEU 58 1.470 3.846 -14.125 498 H ASN 59 HN ASN 59 2.273 1.908 -8.780 499 HA ASN 59 HA ASN 59 4.901 3.045 -8.418 500 1HB ASN 59 HB2 ASN 59 2.723 2.272 -6.462 501 2HB ASN 59 HB1 ASN 59 4.231 3.040 -5.966 502 1HD2 ASN 59 HD21 ASN 59 1.152 3.905 -6.421 503 2HD2 ASN 59 HD22 ASN 59 1.340 5.445 -7.108 504 H GLU 60 HN GLU 60 6.752 2.006 -7.921 505 HA GLU 60 HA GLU 60 6.666 -0.908 -7.448 506 1HB GLU 60 HB2 GLU 60 8.983 1.008 -7.863 507 2HB GLU 60 HB1 GLU 60 9.118 -0.749 -7.775 508 1HG GLU 60 HG2 GLU 60 7.709 -1.006 -9.745 509 2HG GLU 60 HG1 GLU 60 7.413 0.733 -9.802 510 H CYS 61 HN CYS 61 6.502 1.793 -5.540 511 HA CYS 61 HA CYS 61 8.353 1.206 -3.427 512 1HB CYS 61 HB2 CYS 61 5.713 2.696 -3.450 513 2HB CYS 61 HB1 CYS 61 6.762 2.604 -2.035 514 HG CYS 61 HG CYS 61 8.350 3.564 -4.417 515 H PHE 62 HN PHE 62 5.000 0.211 -4.040 516 HA PHE 62 HA PHE 62 4.892 -1.346 -1.548 517 1HB PHE 62 HB2 PHE 62 2.955 -1.374 -3.882 518 2HB PHE 62 HB1 PHE 62 2.644 -1.912 -2.231 519 HD1 PHE 62 HD1 PHE 62 2.518 0.866 -4.491 520 HD2 PHE 62 HD2 PHE 62 2.927 -0.164 -0.340 521 HE1 PHE 62 HE1 PHE 62 1.838 3.164 -3.853 522 HE2 PHE 62 HE2 PHE 62 2.246 2.134 0.297 523 HZ PHE 62 HZ PHE 62 1.701 3.798 -1.460 524 H VAL 63 HN VAL 63 5.340 -3.514 -1.389 525 HA VAL 63 HA VAL 63 6.022 -4.988 -3.919 526 HB VAL 63 HB VAL 63 7.063 -5.429 -1.104 527 1HG1 VAL 63 HG11 VAL 63 7.060 -7.512 -2.281 528 2HG1 VAL 63 HG12 VAL 63 8.708 -6.896 -2.389 529 3HG1 VAL 63 HG13 VAL 63 7.619 -6.750 -3.768 530 1HG2 VAL 63 HG21 VAL 63 7.834 -3.326 -2.352 531 2HG2 VAL 63 HG22 VAL 63 8.590 -4.418 -3.514 532 3HG2 VAL 63 HG23 VAL 63 9.107 -4.428 -1.827 533 H LYS 64 HN LYS 64 4.773 -6.744 -4.352 534 HA LYS 64 HA LYS 64 2.532 -7.441 -2.683 535 1HB LYS 64 HB2 LYS 64 3.856 -8.868 -5.010 536 2HB LYS 64 HB1 LYS 64 2.362 -9.415 -4.251 537 1HG LYS 64 HG2 LYS 64 1.273 -7.288 -4.800 538 2HG LYS 64 HG1 LYS 64 2.770 -6.695 -5.523 539 1HD LYS 64 HD2 LYS 64 2.712 -8.461 -7.199 540 2HD LYS 64 HD1 LYS 64 1.289 -9.176 -6.443 541 1HE LYS 64 HE2 LYS 64 -0.049 -7.237 -6.979 542 2HE LYS 64 HE1 LYS 64 1.370 -6.358 -7.555 543 1HZ LYS 64 HZ1 LYS 64 1.602 -8.363 -9.138 544 2HZ LYS 64 HZ2 LYS 64 0.453 -7.163 -9.492 545 3HZ LYS 64 HZ3 LYS 64 -0.036 -8.632 -8.790 546 H VAL 65 HN VAL 65 2.340 -9.088 -1.165 547 HA VAL 65 HA VAL 65 4.824 -10.639 -0.517 548 HB VAL 65 HB VAL 65 2.595 -9.620 1.264 549 1HG1 VAL 65 HG11 VAL 65 3.101 -11.783 2.118 550 2HG1 VAL 65 HG12 VAL 65 4.073 -10.675 3.086 551 3HG1 VAL 65 HG13 VAL 65 4.822 -11.597 1.783 552 1HG2 VAL 65 HG21 VAL 65 4.388 -8.370 2.340 553 2HG2 VAL 65 HG22 VAL 65 4.425 -8.030 0.610 554 3HG2 VAL 65 HG23 VAL 65 5.593 -9.149 1.314 555 HA PRO 66 HA PRO 66 1.997 -13.965 -1.718 556 1HB PRO 66 HB2 PRO 66 3.647 -16.112 -1.298 557 2HB PRO 66 HB1 PRO 66 3.780 -15.052 -2.714 558 1HG PRO 66 HG2 PRO 66 5.405 -15.076 -0.214 559 2HG PRO 66 HG1 PRO 66 5.921 -14.824 -1.891 560 1HD PRO 66 HD2 PRO 66 5.563 -12.770 -0.101 561 2HD PRO 66 HD1 PRO 66 5.377 -12.568 -1.858 562 H ARG 67 HN ARG 67 1.735 -16.405 -0.540 563 HA ARG 67 HA ARG 67 1.309 -15.835 2.383 564 1HB ARG 67 HB2 ARG 67 -0.537 -17.377 0.535 565 2HB ARG 67 HB1 ARG 67 -0.827 -16.982 2.230 566 1HG ARG 67 HG2 ARG 67 -0.638 -14.550 1.593 567 2HG ARG 67 HG1 ARG 67 -0.642 -15.051 -0.096 568 1HD ARG 67 HD2 ARG 67 -2.799 -16.361 0.520 569 2HD ARG 67 HD1 ARG 67 -2.842 -15.339 1.952 570 HE ARG 67 HE ARG 67 -3.734 -14.600 -0.639 571 1HH1 ARG 67 HH21 ARG 67 -1.708 -13.347 1.860 572 2HH1 ARG 67 HH22 ARG 67 -1.809 -11.723 1.283 573 1HH2 ARG 67 HH11 ARG 67 -3.890 -12.481 -1.347 574 2HH2 ARG 67 HH12 ARG 67 -3.047 -11.230 -0.497 575 H ASP 68 HN ASP 68 1.528 -17.675 3.755 576 HA ASP 68 HA ASP 68 3.198 -19.828 2.624 577 1HB ASP 68 HB2 ASP 68 3.572 -18.658 4.903 578 2HB ASP 68 HB1 ASP 68 2.241 -19.658 5.483 579 H ASP 69 HN ASP 69 2.645 -22.115 3.372 580 HA ASP 69 HA ASP 69 -0.007 -22.781 2.421 581 1HB ASP 69 HB2 ASP 69 2.197 -24.428 3.686 582 2HB ASP 69 HB1 ASP 69 0.697 -25.121 3.069 583 H LYS 70 HN LYS 70 1.365 -22.176 5.562 584 HA LYS 70 HA LYS 70 -0.424 -23.678 7.181 585 1HB LYS 70 HB2 LYS 70 0.983 -21.047 7.691 586 2HB LYS 70 HB1 LYS 70 0.065 -21.907 8.927 587 1HG LYS 70 HG2 LYS 70 1.511 -23.885 8.628 588 2HG LYS 70 HG1 LYS 70 2.435 -23.024 7.396 589 1HD LYS 70 HD2 LYS 70 3.045 -21.301 9.055 590 2HD LYS 70 HD1 LYS 70 2.128 -22.164 10.289 591 1HE LYS 70 HE2 LYS 70 4.489 -22.740 10.498 592 2HE LYS 70 HE1 LYS 70 3.595 -24.153 9.934 593 1HZ LYS 70 HZ1 LYS 70 5.725 -22.820 8.683 594 2HZ LYS 70 HZ2 LYS 70 4.349 -22.675 7.696 595 3HZ LYS 70 HZ3 LYS 70 4.901 -24.211 8.168 596 H LYS 71 HN LYS 71 -0.728 -20.323 5.968 597 HA LYS 71 HA LYS 71 -3.675 -20.527 6.386 598 1HB LYS 71 HB2 LYS 71 -2.977 -19.263 8.262 599 2HB LYS 71 HB1 LYS 71 -1.789 -18.367 7.319 600 1HG LYS 71 HG2 LYS 71 -3.416 -17.059 6.253 601 2HG LYS 71 HG1 LYS 71 -4.712 -18.193 6.616 602 1HD LYS 71 HD2 LYS 71 -5.108 -16.426 8.117 603 2HD LYS 71 HD1 LYS 71 -4.251 -17.596 9.112 604 1HE LYS 71 HE2 LYS 71 -3.100 -15.620 9.599 605 2HE LYS 71 HE1 LYS 71 -2.109 -16.285 8.302 606 1HZ LYS 71 HZ1 LYS 71 -2.578 -13.978 7.881 607 2HZ LYS 71 HZ2 LYS 71 -4.249 -14.247 8.018 608 3HZ LYS 71 HZ3 LYS 71 -3.380 -14.928 6.727 609 HA PRO 72 HA PRO 72 -2.964 -18.832 2.199 610 1HB PRO 72 HB2 PRO 72 -5.183 -19.731 1.001 611 2HB PRO 72 HB1 PRO 72 -3.899 -20.860 1.486 612 1HG PRO 72 HG2 PRO 72 -6.481 -20.239 2.860 613 2HG PRO 72 HG1 PRO 72 -5.713 -21.812 2.579 614 1HD PRO 72 HD2 PRO 72 -5.522 -20.385 4.964 615 2HD PRO 72 HD1 PRO 72 -4.351 -21.615 4.437 616 H GLY 73 HN GLY 73 -4.377 -17.374 0.728 617 1HA GLY 73 HA2 GLY 73 -6.607 -15.986 2.006 618 2HA GLY 73 HA1 GLY 73 -5.141 -15.011 1.914 619 H LYS 74 HN LYS 74 -6.625 -13.673 0.486 620 HA LYS 74 HA LYS 74 -6.969 -14.789 -2.255 621 1HB LYS 74 HB2 LYS 74 -8.025 -12.323 -0.874 622 2HB LYS 74 HB1 LYS 74 -8.242 -12.619 -2.603 623 1HG LYS 74 HG2 LYS 74 -9.319 -14.809 -2.040 624 2HG LYS 74 HG1 LYS 74 -9.205 -14.383 -0.331 625 1HD LYS 74 HD2 LYS 74 -10.551 -12.361 -0.736 626 2HD LYS 74 HD1 LYS 74 -10.658 -12.775 -2.447 627 1HE LYS 74 HE2 LYS 74 -11.860 -14.833 -1.911 628 2HE LYS 74 HE1 LYS 74 -11.682 -14.518 -0.185 629 1HZ LYS 74 HZ1 LYS 74 -13.754 -13.708 -1.760 630 2HZ LYS 74 HZ2 LYS 74 -12.816 -12.302 -1.589 631 3HZ LYS 74 HZ3 LYS 74 -13.390 -13.116 -0.213 632 H GLY 75 HN GLY 75 -5.511 -14.312 -3.784 633 1HA GLY 75 HA2 GLY 75 -3.864 -13.162 -4.999 634 2HA GLY 75 HA1 GLY 75 -4.434 -11.693 -4.209 635 H SER 76 HN SER 76 -2.781 -10.703 -3.206 636 HA SER 76 HA SER 76 -0.954 -12.309 -1.470 637 1HB SER 76 HB2 SER 76 0.914 -10.776 -2.345 638 2HB SER 76 HB1 SER 76 0.363 -12.041 -3.441 639 HG SER 76 HG SER 76 -1.195 -9.932 -3.785 640 H TYR 77 HN TYR 77 -0.155 -11.075 0.343 641 HA TYR 77 HA TYR 77 -1.862 -8.821 1.071 642 1HB TYR 77 HB2 TYR 77 0.610 -9.853 2.497 643 2HB TYR 77 HB1 TYR 77 -0.590 -8.755 3.168 644 HD1 TYR 77 HD1 TYR 77 -3.169 -9.810 2.600 645 HD2 TYR 77 HD2 TYR 77 0.445 -11.985 3.424 646 HE1 TYR 77 HE1 TYR 77 -4.513 -11.758 3.309 647 HE2 TYR 77 HE2 TYR 77 -0.900 -13.935 4.149 648 HH TYR 77 HH TYR 77 -4.437 -13.757 4.353 649 H TRP 78 HN TRP 78 -0.936 -6.706 1.728 650 HA TRP 78 HA TRP 78 1.337 -5.922 -0.071 651 1HB TRP 78 HB2 TRP 78 -1.120 -4.365 0.776 652 2HB TRP 78 HB1 TRP 78 0.202 -3.719 -0.202 653 HD1 TRP 78 HD1 TRP 78 -2.504 -6.459 -0.291 654 HE1 TRP 78 HE1 TRP 78 -2.976 -7.046 -2.758 655 HE3 TRP 78 HE3 TRP 78 1.053 -3.597 -2.579 656 HZ2 TRP 78 HZ2 TRP 78 -1.970 -6.391 -5.359 657 HZ3 TRP 78 HZ3 TRP 78 1.271 -3.592 -5.046 658 HH2 TRP 78 HH2 TRP 78 -0.235 -4.978 -6.438 659 H THR 79 HN THR 79 2.944 -4.691 0.778 660 HA THR 79 HA THR 79 2.660 -3.487 3.464 661 HB THR 79 HB THR 79 3.486 -5.840 3.809 662 HG1 THR 79 HG1 THR 79 5.445 -3.861 4.321 663 1HG2 THR 79 HG21 THR 79 5.973 -4.873 2.379 664 2HG2 THR 79 HG22 THR 79 4.750 -5.889 1.615 665 3HG2 THR 79 HG23 THR 79 5.653 -6.489 3.006 666 H LEU 80 HN LEU 80 4.383 -1.892 3.836 667 HA LEU 80 HA LEU 80 5.096 -0.467 1.483 668 1HB LEU 80 HB2 LEU 80 6.315 -0.303 4.249 669 2HB LEU 80 HB1 LEU 80 6.524 0.901 2.977 670 HG LEU 80 HG LEU 80 3.837 0.056 4.100 671 1HD1 LEU 80 HD11 LEU 80 3.929 2.403 5.117 672 2HD1 LEU 80 HD12 LEU 80 5.661 2.368 4.780 673 3HD1 LEU 80 HD13 LEU 80 4.950 1.181 5.874 674 1HD2 LEU 80 HD21 LEU 80 4.739 2.054 2.033 675 2HD2 LEU 80 HD22 LEU 80 3.302 2.402 2.994 676 3HD2 LEU 80 HD23 LEU 80 3.362 0.955 1.997 677 H ASP 81 HN ASP 81 6.899 -2.739 3.429 678 HA ASP 81 HA ASP 81 8.554 -3.475 1.179 679 1HB ASP 81 HB2 ASP 81 9.753 -1.463 1.666 680 2HB ASP 81 HB1 ASP 81 9.758 -1.811 3.395 681 HA PRO 82 HA PRO 82 8.545 -7.192 3.677 682 1HB PRO 82 HB2 PRO 82 11.312 -7.743 2.683 683 2HB PRO 82 HB1 PRO 82 9.869 -8.764 2.621 684 1HG PRO 82 HG2 PRO 82 10.806 -7.511 0.454 685 2HG PRO 82 HG1 PRO 82 9.072 -7.754 0.722 686 1HD PRO 82 HD2 PRO 82 10.690 -5.249 1.001 687 2HD PRO 82 HD1 PRO 82 8.997 -5.466 0.494 688 H ASP 83 HN ASP 83 12.028 -6.523 3.721 689 HA ASP 83 HA ASP 83 11.978 -5.360 6.389 690 1HB ASP 83 HB2 ASP 83 11.635 -7.863 6.771 691 2HB ASP 83 HB1 ASP 83 13.245 -8.098 6.092 692 H SER 84 HN SER 84 12.947 -4.517 3.909 693 HA SER 84 HA SER 84 15.537 -5.083 3.136 694 1HB SER 84 HB2 SER 84 14.337 -2.315 3.432 695 2HB SER 84 HB1 SER 84 15.749 -2.712 2.457 696 HG SER 84 HG SER 84 14.494 -3.856 1.092 697 H TYR 85 HN TYR 85 17.242 -5.441 4.499 698 HA TYR 85 HA TYR 85 17.528 -3.814 6.954 699 1HB TYR 85 HB2 TYR 85 19.742 -5.671 6.448 700 2HB TYR 85 HB1 TYR 85 18.612 -5.630 7.795 701 HD1 TYR 85 HD1 TYR 85 19.310 -7.000 4.468 702 HD2 TYR 85 HD2 TYR 85 16.530 -6.918 7.739 703 HE1 TYR 85 HE1 TYR 85 18.163 -8.998 3.543 704 HE2 TYR 85 HE2 TYR 85 15.382 -8.914 6.816 705 HH TYR 85 HH TYR 85 16.371 -10.965 5.085 706 H ASN 86 HN ASN 86 20.052 -4.899 4.680 707 HA ASN 86 HA ASN 86 21.260 -2.190 4.858 708 1HB ASN 86 HB2 ASN 86 22.632 -4.241 5.362 709 2HB ASN 86 HB1 ASN 86 22.446 -4.706 3.671 710 1HD2 ASN 86 HD21 ASN 86 24.174 -4.043 2.404 711 2HD2 ASN 86 HD22 ASN 86 25.112 -2.654 2.674 712 H MET 87 HN MET 87 19.126 -3.673 2.881 713 HA MET 87 HA MET 87 20.312 -2.736 0.329 714 1HB MET 87 HB2 MET 87 17.719 -4.163 0.979 715 2HB MET 87 HB1 MET 87 18.157 -3.634 -0.645 716 1HG MET 87 HG2 MET 87 20.233 -4.989 -0.507 717 2HG MET 87 HG1 MET 87 19.739 -5.559 1.086 718 1HE MET 87 HE1 MET 87 16.325 -6.053 0.488 719 2HE MET 87 HE2 MET 87 17.622 -6.426 1.622 720 3HE MET 87 HE3 MET 87 16.844 -7.727 0.722 721 H PHE 88 HN PHE 88 20.079 -0.606 -0.148 722 HA PHE 88 HA PHE 88 18.144 1.091 1.161 723 1HB PHE 88 HB2 PHE 88 19.864 1.507 -1.301 724 2HB PHE 88 HB1 PHE 88 18.837 2.762 -0.611 725 HD1 PHE 88 HD1 PHE 88 21.900 0.795 -0.199 726 HD2 PHE 88 HD2 PHE 88 19.304 3.686 1.632 727 HE1 PHE 88 HE1 PHE 88 23.675 1.350 1.443 728 HE2 PHE 88 HE2 PHE 88 21.076 4.239 3.275 729 HZ PHE 88 HZ PHE 88 23.263 3.072 3.179 730 H GLU 89 HN GLU 89 18.270 -0.594 -1.935 731 HA GLU 89 HA GLU 89 15.893 0.619 -3.031 732 1HB GLU 89 HB2 GLU 89 17.296 -1.994 -3.665 733 2HB GLU 89 HB1 GLU 89 15.967 -1.328 -4.615 734 1HG GLU 89 HG2 GLU 89 18.532 0.179 -4.041 735 2HG GLU 89 HG1 GLU 89 18.260 -0.758 -5.511 736 H ASN 90 HN ASN 90 13.830 -0.540 -3.366 737 HA ASN 90 HA ASN 90 12.939 -1.778 -0.875 738 1HB ASN 90 HB2 ASN 90 11.531 -1.080 -3.460 739 2HB ASN 90 HB1 ASN 90 10.712 -1.827 -2.087 740 1HD2 ASN 90 HD21 ASN 90 10.191 0.892 -3.125 741 2HD2 ASN 90 HD22 ASN 90 10.556 1.966 -1.862 742 H GLY 91 HN GLY 91 14.832 -3.462 -2.083 743 1HA GLY 91 HA2 GLY 91 14.927 -5.838 -2.248 744 2HA GLY 91 HA1 GLY 91 13.178 -5.875 -2.459 745 H SER 92 HN SER 92 14.186 -3.539 -4.542 746 HA SER 92 HA SER 92 13.678 -5.088 -6.882 747 1HB SER 92 HB2 SER 92 14.427 -3.172 -8.136 748 2HB SER 92 HB1 SER 92 13.601 -2.556 -6.707 749 HG SER 92 HG SER 92 15.662 -1.565 -7.126 750 H PHE 93 HN PHE 93 16.685 -4.222 -5.223 751 HA PHE 93 HA PHE 93 18.335 -5.591 -7.235 752 1HB PHE 93 HB2 PHE 93 19.125 -3.561 -5.983 753 2HB PHE 93 HB1 PHE 93 19.122 -4.523 -4.505 754 HD1 PHE 93 HD1 PHE 93 20.746 -6.334 -4.171 755 HD2 PHE 93 HD2 PHE 93 20.754 -3.965 -7.754 756 HE1 PHE 93 HE1 PHE 93 22.995 -7.206 -4.744 757 HE2 PHE 93 HE2 PHE 93 23.002 -4.840 -8.328 758 HZ PHE 93 HZ PHE 93 24.122 -6.461 -6.823 759 H LEU 94 HN LEU 94 18.783 -7.740 -7.161 760 HA LEU 94 HA LEU 94 17.892 -9.324 -4.835 761 1HB LEU 94 HB2 LEU 94 19.276 -10.240 -7.378 762 2HB LEU 94 HB1 LEU 94 18.430 -11.260 -6.216 763 HG LEU 94 HG LEU 94 17.155 -9.062 -7.872 764 1HD1 LEU 94 HD11 LEU 94 16.159 -10.825 -9.169 765 2HD1 LEU 94 HD12 LEU 94 16.777 -12.060 -8.072 766 3HD1 LEU 94 HD13 LEU 94 17.890 -11.156 -9.098 767 1HD2 LEU 94 HD21 LEU 94 16.134 -10.929 -5.733 768 2HD2 LEU 94 HD22 LEU 94 15.046 -10.352 -6.995 769 3HD2 LEU 94 HD23 LEU 94 15.842 -9.201 -5.926 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -22.280 19.899 1.221 2 2H MET 1 HT2 MET 1 -23.963 19.989 1.004 3 3H MET 1 HT3 MET 1 -22.932 19.918 -0.344 4 HA MET 1 HA MET 1 -23.946 17.793 1.321 5 1HB MET 1 HB2 MET 1 -22.776 18.038 -1.463 6 2HB MET 1 HB1 MET 1 -23.349 16.515 -0.785 7 1HG MET 1 HG2 MET 1 -25.172 17.426 -2.051 8 2HG MET 1 HG1 MET 1 -25.570 17.669 -0.351 9 1HE MET 1 HE1 MET 1 -26.915 19.920 0.020 10 2HE MET 1 HE2 MET 1 -27.322 19.080 -1.473 11 3HE MET 1 HE3 MET 1 -27.148 20.832 -1.477 12 H LEU 2 HN LEU 2 -22.465 15.660 0.859 13 HA LEU 2 HA LEU 2 -20.102 16.062 2.505 14 1HB LEU 2 HB2 LEU 2 -21.029 13.625 0.957 15 2HB LEU 2 HB1 LEU 2 -19.777 13.633 2.199 16 HG LEU 2 HG LEU 2 -22.658 14.465 2.648 17 1HD1 LEU 2 HD11 LEU 2 -21.471 12.006 3.887 18 2HD1 LEU 2 HD12 LEU 2 -21.995 11.918 2.206 19 3HD1 LEU 2 HD13 LEU 2 -23.143 12.361 3.464 20 1HD2 LEU 2 HD21 LEU 2 -21.468 15.588 4.306 21 2HD2 LEU 2 HD22 LEU 2 -20.202 14.362 4.384 22 3HD2 LEU 2 HD23 LEU 2 -21.777 14.053 5.112 23 H VAL 3 HN VAL 3 -17.936 15.925 1.864 24 HA VAL 3 HA VAL 3 -17.382 15.811 -1.081 25 HB VAL 3 HB VAL 3 -15.665 17.579 -0.727 26 1HG1 VAL 3 HG11 VAL 3 -18.491 18.297 0.118 27 2HG1 VAL 3 HG12 VAL 3 -17.891 18.210 -1.539 28 3HG1 VAL 3 HG13 VAL 3 -17.283 19.452 -0.444 29 1HG2 VAL 3 HG21 VAL 3 -15.744 18.875 1.384 30 2HG2 VAL 3 HG22 VAL 3 -15.300 17.195 1.688 31 3HG2 VAL 3 HG23 VAL 3 -16.940 17.748 2.024 32 H LYS 4 HN LYS 4 -15.139 15.164 -1.563 33 HA LYS 4 HA LYS 4 -14.292 13.011 0.189 34 1HB LYS 4 HB2 LYS 4 -13.249 14.162 -2.398 35 2HB LYS 4 HB1 LYS 4 -12.341 12.927 -1.526 36 1HG LYS 4 HG2 LYS 4 -13.888 12.014 -3.295 37 2HG LYS 4 HG1 LYS 4 -14.177 11.367 -1.682 38 1HD LYS 4 HD2 LYS 4 -16.097 12.737 -1.361 39 2HD LYS 4 HD1 LYS 4 -15.694 13.756 -2.744 40 1HE LYS 4 HE2 LYS 4 -16.224 12.023 -4.299 41 2HE LYS 4 HE1 LYS 4 -16.289 10.805 -3.026 42 1HZ LYS 4 HZ1 LYS 4 -18.501 11.303 -3.413 43 2HZ LYS 4 HZ2 LYS 4 -18.208 12.965 -3.619 44 3HZ LYS 4 HZ3 LYS 4 -18.137 12.272 -2.068 45 HA PRO 5 HA PRO 5 -11.370 15.351 2.597 46 1HB PRO 5 HB2 PRO 5 -9.625 13.422 3.355 47 2HB PRO 5 HB1 PRO 5 -11.286 13.483 3.970 48 1HG PRO 5 HG2 PRO 5 -10.166 11.826 1.747 49 2HG PRO 5 HG1 PRO 5 -11.232 11.338 3.080 50 1HD PRO 5 HD2 PRO 5 -12.200 11.871 0.595 51 2HD PRO 5 HD1 PRO 5 -13.131 12.234 2.067 52 HA PRO 6 HA PRO 6 -7.980 16.418 -0.054 53 1HB PRO 6 HB2 PRO 6 -6.166 17.474 1.672 54 2HB PRO 6 HB1 PRO 6 -7.720 18.261 1.331 55 1HG PRO 6 HG2 PRO 6 -6.946 16.544 3.653 56 2HG PRO 6 HG1 PRO 6 -7.851 18.068 3.638 57 1HD PRO 6 HD2 PRO 6 -9.078 15.625 3.816 58 2HD PRO 6 HD1 PRO 6 -9.846 17.034 3.052 59 H TYR 7 HN TYR 7 -7.894 13.558 1.080 60 HA TYR 7 HA TYR 7 -4.934 13.147 1.174 61 1HB TYR 7 HB2 TYR 7 -7.169 11.150 1.647 62 2HB TYR 7 HB1 TYR 7 -5.450 10.872 1.905 63 HD1 TYR 7 HD1 TYR 7 -8.384 11.522 3.594 64 HD2 TYR 7 HD2 TYR 7 -4.330 12.930 3.388 65 HE1 TYR 7 HE1 TYR 7 -8.596 12.460 5.874 66 HE2 TYR 7 HE2 TYR 7 -4.538 13.858 5.675 67 HH TYR 7 HH TYR 7 -7.042 14.627 7.127 68 H SER 8 HN SER 8 -3.893 12.236 -0.544 69 HA SER 8 HA SER 8 -5.293 11.912 -3.055 70 1HB SER 8 HB2 SER 8 -2.966 12.590 -3.091 71 2HB SER 8 HB1 SER 8 -2.489 11.164 -2.174 72 HG SER 8 HG SER 8 -3.791 10.228 -4.203 73 H TYR 9 HN TYR 9 -5.309 9.807 -4.285 74 HA TYR 9 HA TYR 9 -6.526 7.723 -2.772 75 1HB TYR 9 HB2 TYR 9 -5.160 7.668 -5.481 76 2HB TYR 9 HB1 TYR 9 -6.060 6.307 -4.817 77 HD1 TYR 9 HD1 TYR 9 -6.285 9.437 -6.577 78 HD2 TYR 9 HD2 TYR 9 -8.511 6.686 -4.143 79 HE1 TYR 9 HE1 TYR 9 -8.406 10.439 -7.383 80 HE2 TYR 9 HE2 TYR 9 -10.631 7.685 -4.950 81 HH TYR 9 HH TYR 9 -11.279 9.028 -7.216 82 H ILE 10 HN ILE 10 -3.190 8.142 -3.938 83 HA ILE 10 HA ILE 10 -2.207 5.656 -2.884 84 HB ILE 10 HB ILE 10 -0.838 8.274 -3.563 85 1HG1 ILE 10 HG12 ILE 10 -0.781 5.574 -4.943 86 2HG1 ILE 10 HG11 ILE 10 -1.902 6.863 -5.377 87 1HG2 ILE 10 HG21 ILE 10 0.290 5.652 -2.568 88 2HG2 ILE 10 HG22 ILE 10 0.615 7.279 -1.969 89 3HG2 ILE 10 HG23 ILE 10 1.253 6.771 -3.532 90 1HD1 ILE 10 HD11 ILE 10 1.121 6.933 -5.536 91 2HD1 ILE 10 HD12 ILE 10 0.108 8.365 -5.723 92 3HD1 ILE 10 HD13 ILE 10 -0.028 7.031 -6.871 93 H ALA 11 HN ALA 11 -2.473 8.936 -1.549 94 HA ALA 11 HA ALA 11 -1.083 8.453 0.895 95 1HB ALA 11 HB1 ALA 11 -2.272 10.424 1.747 96 2HB ALA 11 HB2 ALA 11 -3.436 10.319 0.426 97 3HB ALA 11 HB3 ALA 11 -1.751 10.718 0.087 98 H LEU 12 HN LEU 12 -4.552 8.060 0.078 99 HA LEU 12 HA LEU 12 -5.389 7.290 2.697 100 1HB LEU 12 HB2 LEU 12 -6.444 6.452 -0.022 101 2HB LEU 12 HB1 LEU 12 -7.248 6.075 1.498 102 HG LEU 12 HG LEU 12 -6.616 8.877 0.521 103 1HD1 LEU 12 HD11 LEU 12 -8.325 7.731 -0.854 104 2HD1 LEU 12 HD12 LEU 12 -9.037 9.034 0.098 105 3HD1 LEU 12 HD13 LEU 12 -9.243 7.357 0.605 106 1HD2 LEU 12 HD21 LEU 12 -8.468 9.285 2.386 107 2HD2 LEU 12 HD22 LEU 12 -6.778 9.116 2.838 108 3HD2 LEU 12 HD23 LEU 12 -7.876 7.747 3.014 109 H ILE 13 HN ILE 13 -4.042 5.431 0.003 110 HA ILE 13 HA ILE 13 -4.296 2.833 1.183 111 HB ILE 13 HB ILE 13 -2.222 3.939 -0.735 112 1HG1 ILE 13 HG12 ILE 13 -4.622 2.190 -1.326 113 2HG1 ILE 13 HG11 ILE 13 -4.676 3.946 -1.439 114 1HG2 ILE 13 HG21 ILE 13 -1.289 1.959 0.200 115 2HG2 ILE 13 HG22 ILE 13 -2.010 1.455 -1.327 116 3HG2 ILE 13 HG23 ILE 13 -2.846 1.131 0.191 117 1HD1 ILE 13 HD11 ILE 13 -3.821 2.152 -3.435 118 2HD1 ILE 13 HD12 ILE 13 -2.345 2.916 -2.854 119 3HD1 ILE 13 HD13 ILE 13 -3.672 3.906 -3.457 120 H THR 14 HN THR 14 -1.740 5.290 1.296 121 HA THR 14 HA THR 14 0.177 3.793 2.748 122 HB THR 14 HB THR 14 -0.329 6.775 2.791 123 HG1 THR 14 HG1 THR 14 0.954 6.826 1.049 124 1HG2 THR 14 HG21 THR 14 1.121 6.128 4.634 125 2HG2 THR 14 HG22 THR 14 2.106 6.867 3.373 126 3HG2 THR 14 HG23 THR 14 2.086 5.114 3.560 127 H MET 15 HN MET 15 -2.455 5.903 3.945 128 HA MET 15 HA MET 15 -1.722 5.557 6.721 129 1HB MET 15 HB2 MET 15 -4.319 6.403 5.411 130 2HB MET 15 HB1 MET 15 -4.076 6.373 7.156 131 1HG MET 15 HG2 MET 15 -2.070 7.880 6.807 132 2HG MET 15 HG1 MET 15 -2.579 8.047 5.127 133 1HE MET 15 HE1 MET 15 -5.816 9.877 5.117 134 2HE MET 15 HE2 MET 15 -5.885 8.134 5.360 135 3HE MET 15 HE3 MET 15 -4.650 8.823 4.308 136 H ALA 16 HN ALA 16 -3.992 3.929 4.551 137 HA ALA 16 HA ALA 16 -5.380 2.297 6.341 138 1HB ALA 16 HB1 ALA 16 -4.287 1.310 3.702 139 2HB ALA 16 HB2 ALA 16 -5.618 2.463 3.803 140 3HB ALA 16 HB3 ALA 16 -5.797 0.847 4.489 141 H ILE 17 HN ILE 17 -2.284 1.517 4.739 142 HA ILE 17 HA ILE 17 -1.838 -0.966 6.051 143 HB ILE 17 HB ILE 17 0.262 1.045 5.175 144 1HG1 ILE 17 HG12 ILE 17 -0.859 -1.220 3.510 145 2HG1 ILE 17 HG11 ILE 17 -1.565 0.395 3.464 146 1HG2 ILE 17 HG21 ILE 17 0.257 -1.948 5.639 147 2HG2 ILE 17 HG22 ILE 17 1.248 -0.736 6.450 148 3HG2 ILE 17 HG23 ILE 17 1.538 -1.120 4.753 149 1HD1 ILE 17 HD11 ILE 17 0.646 1.339 2.866 150 2HD1 ILE 17 HD12 ILE 17 0.091 0.162 1.674 151 3HD1 ILE 17 HD13 ILE 17 1.322 -0.292 2.851 152 H GLN 18 HN GLN 18 -0.836 2.326 6.904 153 HA GLN 18 HA GLN 18 0.698 1.707 9.210 154 1HB GLN 18 HB2 GLN 18 -0.949 4.147 8.511 155 2HB GLN 18 HB1 GLN 18 0.114 4.068 9.916 156 1HG GLN 18 HG2 GLN 18 2.030 3.579 8.444 157 2HG GLN 18 HG1 GLN 18 0.966 3.652 7.040 158 1HE2 GLN 18 HE21 GLN 18 3.264 5.460 7.626 159 2HE2 GLN 18 HE22 GLN 18 2.615 7.025 7.717 160 H ASN 19 HN ASN 19 -2.786 2.506 8.985 161 HA ASN 19 HA ASN 19 -3.095 1.967 11.874 162 1HB ASN 19 HB2 ASN 19 -5.403 2.710 11.548 163 2HB ASN 19 HB1 ASN 19 -4.285 3.868 10.826 164 1HD2 ASN 19 HD21 ASN 19 -4.624 4.368 8.654 165 2HD2 ASN 19 HD22 ASN 19 -5.633 3.493 7.609 166 H ALA 20 HN ALA 20 -2.690 -0.084 9.459 167 HA ALA 20 HA ALA 20 -5.052 -1.769 9.723 168 1HB ALA 20 HB1 ALA 20 -3.598 -1.758 7.690 169 2HB ALA 20 HB2 ALA 20 -3.799 -3.371 8.374 170 3HB ALA 20 HB3 ALA 20 -2.303 -2.477 8.650 171 HA PRO 21 HA PRO 21 -3.809 -3.363 13.811 172 1HB PRO 21 HB2 PRO 21 -5.260 -5.748 12.677 173 2HB PRO 21 HB1 PRO 21 -5.362 -5.044 14.304 174 1HG PRO 21 HG2 PRO 21 -7.251 -4.572 12.495 175 2HG PRO 21 HG1 PRO 21 -6.718 -3.307 13.616 176 1HD PRO 21 HD2 PRO 21 -6.191 -3.562 10.694 177 2HD PRO 21 HD1 PRO 21 -6.232 -2.103 11.707 178 H GLU 22 HN GLU 22 -3.538 -5.234 10.823 179 HA GLU 22 HA GLU 22 -1.005 -6.487 11.832 180 1HB GLU 22 HB2 GLU 22 -2.847 -8.079 11.225 181 2HB GLU 22 HB1 GLU 22 -2.836 -7.417 9.592 182 1HG GLU 22 HG2 GLU 22 -1.485 -9.436 9.614 183 2HG GLU 22 HG1 GLU 22 -0.413 -8.052 9.413 184 H LYS 23 HN LYS 23 0.851 -6.052 10.636 185 HA LYS 23 HA LYS 23 0.876 -3.811 8.889 186 1HB LYS 23 HB2 LYS 23 2.882 -4.629 10.100 187 2HB LYS 23 HB1 LYS 23 2.890 -6.079 9.104 188 1HG LYS 23 HG2 LYS 23 4.518 -4.536 8.201 189 2HG LYS 23 HG1 LYS 23 3.166 -4.612 7.077 190 1HD LYS 23 HD2 LYS 23 2.348 -2.492 7.725 191 2HD LYS 23 HD1 LYS 23 3.262 -2.499 9.232 192 1HE LYS 23 HE2 LYS 23 4.642 -2.525 6.547 193 2HE LYS 23 HE1 LYS 23 4.147 -1.017 7.318 194 1HZ LYS 23 HZ1 LYS 23 6.362 -2.695 7.914 195 2HZ LYS 23 HZ2 LYS 23 5.389 -2.473 9.289 196 3HZ LYS 23 HZ3 LYS 23 6.023 -1.128 8.467 197 H LYS 24 HN LYS 24 0.744 -7.299 8.228 198 HA LYS 24 HA LYS 24 0.712 -6.868 5.319 199 1HB LYS 24 HB2 LYS 24 0.214 -9.341 7.013 200 2HB LYS 24 HB1 LYS 24 0.297 -9.337 5.250 201 1HG LYS 24 HG2 LYS 24 2.599 -8.449 5.358 202 2HG LYS 24 HG1 LYS 24 2.519 -8.458 7.120 203 1HD LYS 24 HD2 LYS 24 2.177 -10.902 7.095 204 2HD LYS 24 HD1 LYS 24 2.261 -10.895 5.335 205 1HE LYS 24 HE2 LYS 24 4.558 -9.954 5.469 206 2HE LYS 24 HE1 LYS 24 4.474 -10.053 7.228 207 1HZ LYS 24 HZ1 LYS 24 3.964 -12.428 5.555 208 2HZ LYS 24 HZ2 LYS 24 4.449 -12.352 7.182 209 3HZ LYS 24 HZ3 LYS 24 5.550 -11.973 5.945 210 H ILE 25 HN ILE 25 -1.144 -6.495 4.162 211 HA ILE 25 HA ILE 25 -3.775 -7.234 5.372 212 HB ILE 25 HB ILE 25 -3.268 -4.837 5.877 213 1HG1 ILE 25 HG12 ILE 25 -5.466 -5.074 3.810 214 2HG1 ILE 25 HG11 ILE 25 -5.606 -5.778 5.422 215 1HG2 ILE 25 HG21 ILE 25 -1.929 -4.532 3.734 216 2HG2 ILE 25 HG22 ILE 25 -3.060 -3.232 4.111 217 3HG2 ILE 25 HG23 ILE 25 -3.472 -4.431 2.885 218 1HD1 ILE 25 HD11 ILE 25 -4.960 -2.860 4.927 219 2HD1 ILE 25 HD12 ILE 25 -5.364 -3.618 6.467 220 3HD1 ILE 25 HD13 ILE 25 -6.594 -3.461 5.211 221 H THR 26 HN THR 26 -5.377 -7.721 3.862 222 HA THR 26 HA THR 26 -4.405 -8.455 1.209 223 HB THR 26 HB THR 26 -7.315 -8.586 1.964 224 HG1 THR 26 HG1 THR 26 -5.442 -9.361 3.588 225 1HG2 THR 26 HG21 THR 26 -7.196 -10.704 0.778 226 2HG2 THR 26 HG22 THR 26 -5.438 -10.594 0.682 227 3HG2 THR 26 HG23 THR 26 -6.444 -9.458 -0.219 228 H LEU 27 HN LEU 27 -5.527 -7.794 -0.778 229 HA LEU 27 HA LEU 27 -5.683 -4.972 -1.098 230 1HB LEU 27 HB2 LEU 27 -5.248 -6.625 -2.921 231 2HB LEU 27 HB1 LEU 27 -6.920 -7.156 -2.810 232 HG LEU 27 HG LEU 27 -7.685 -4.888 -3.467 233 1HD1 LEU 27 HD11 LEU 27 -4.729 -4.340 -3.284 234 2HD1 LEU 27 HD12 LEU 27 -6.082 -3.358 -2.726 235 3HD1 LEU 27 HD13 LEU 27 -5.704 -3.438 -4.442 236 1HD2 LEU 27 HD21 LEU 27 -7.004 -5.047 -5.780 237 2HD2 LEU 27 HD22 LEU 27 -7.142 -6.684 -5.144 238 3HD2 LEU 27 HD23 LEU 27 -5.552 -5.948 -5.340 239 H ASN 28 HN ASN 28 -8.254 -7.430 -0.897 240 HA ASN 28 HA ASN 28 -10.478 -5.658 -1.052 241 1HB ASN 28 HB2 ASN 28 -10.166 -8.340 0.320 242 2HB ASN 28 HB1 ASN 28 -11.712 -7.516 0.111 243 1HD2 ASN 28 HD21 ASN 28 -11.781 -6.612 -2.424 244 2HD2 ASN 28 HD22 ASN 28 -11.488 -7.842 -3.556 245 H GLY 29 HN GLY 29 -8.578 -6.790 1.730 246 1HA GLY 29 HA2 GLY 29 -10.204 -5.714 3.788 247 2HA GLY 29 HA1 GLY 29 -8.469 -5.986 3.927 248 H ILE 30 HN ILE 30 -7.611 -4.168 1.887 249 HA ILE 30 HA ILE 30 -7.496 -1.741 3.370 250 HB ILE 30 HB ILE 30 -7.056 -2.199 0.403 251 1HG1 ILE 30 HG12 ILE 30 -5.045 -1.979 2.663 252 2HG1 ILE 30 HG11 ILE 30 -5.644 -3.520 2.047 253 1HG2 ILE 30 HG21 ILE 30 -7.374 0.164 0.784 254 2HG2 ILE 30 HG22 ILE 30 -5.637 -0.112 0.653 255 3HG2 ILE 30 HG23 ILE 30 -6.376 0.116 2.238 256 1HD1 ILE 30 HD11 ILE 30 -4.851 -2.895 -0.225 257 2HD1 ILE 30 HD12 ILE 30 -3.531 -2.956 0.945 258 3HD1 ILE 30 HD13 ILE 30 -4.190 -1.400 0.439 259 H TYR 31 HN TYR 31 -9.580 -2.681 0.633 260 HA TYR 31 HA TYR 31 -10.847 -0.146 0.323 261 1HB TYR 31 HB2 TYR 31 -11.687 -2.975 -0.323 262 2HB TYR 31 HB1 TYR 31 -12.765 -1.613 -0.635 263 HD1 TYR 31 HD1 TYR 31 -10.212 -3.592 -2.049 264 HD2 TYR 31 HD2 TYR 31 -11.586 0.463 -1.802 265 HE1 TYR 31 HE1 TYR 31 -8.959 -3.043 -4.116 266 HE2 TYR 31 HE2 TYR 31 -10.337 1.013 -3.859 267 HH TYR 31 HH TYR 31 -9.443 -0.179 -5.854 268 H GLN 32 HN GLN 32 -11.685 -2.898 2.426 269 HA GLN 32 HA GLN 32 -14.180 -1.873 3.331 270 1HB GLN 32 HB2 GLN 32 -13.397 -4.183 3.772 271 2HB GLN 32 HB1 GLN 32 -12.177 -3.547 4.874 272 1HG GLN 32 HG2 GLN 32 -13.949 -2.580 6.289 273 2HG GLN 32 HG1 GLN 32 -15.174 -3.200 5.183 274 1HE2 GLN 32 HE21 GLN 32 -13.247 -5.663 4.845 275 2HE2 GLN 32 HE22 GLN 32 -13.614 -6.614 6.202 276 H PHE 33 HN PHE 33 -10.876 -1.311 4.496 277 HA PHE 33 HA PHE 33 -11.542 0.180 6.815 278 1HB PHE 33 HB2 PHE 33 -9.272 -0.636 6.370 279 2HB PHE 33 HB1 PHE 33 -9.131 0.475 5.006 280 HD1 PHE 33 HD1 PHE 33 -9.270 0.191 8.678 281 HD2 PHE 33 HD2 PHE 33 -8.905 2.877 5.346 282 HE1 PHE 33 HE1 PHE 33 -8.544 1.996 10.213 283 HE2 PHE 33 HE2 PHE 33 -8.181 4.685 6.882 284 HZ PHE 33 HZ PHE 33 -8.001 4.245 9.316 285 H ILE 34 HN ILE 34 -10.915 1.361 3.491 286 HA ILE 34 HA ILE 34 -11.178 4.120 4.084 287 HB ILE 34 HB ILE 34 -11.733 2.559 1.551 288 1HG1 ILE 34 HG12 ILE 34 -9.454 4.410 2.313 289 2HG1 ILE 34 HG11 ILE 34 -9.404 2.662 2.538 290 1HG2 ILE 34 HG21 ILE 34 -13.005 4.570 1.290 291 2HG2 ILE 34 HG22 ILE 34 -11.472 4.875 0.473 292 3HG2 ILE 34 HG23 ILE 34 -11.761 5.539 2.080 293 1HD1 ILE 34 HD11 ILE 34 -9.891 4.035 -0.118 294 2HD1 ILE 34 HD12 ILE 34 -9.700 2.300 0.148 295 3HD1 ILE 34 HD13 ILE 34 -8.336 3.388 0.403 296 H MET 35 HN MET 35 -13.717 1.863 2.912 297 HA MET 35 HA MET 35 -15.802 3.810 2.948 298 1HB MET 35 HB2 MET 35 -15.877 0.797 3.222 299 2HB MET 35 HB1 MET 35 -17.330 1.791 3.105 300 1HG MET 35 HG2 MET 35 -16.510 2.712 0.954 301 2HG MET 35 HG1 MET 35 -15.088 1.676 1.065 302 1HE MET 35 HE1 MET 35 -16.122 -1.767 0.254 303 2HE MET 35 HE2 MET 35 -15.292 -0.883 1.532 304 3HE MET 35 HE3 MET 35 -14.969 -0.491 -0.154 305 H ASP 36 HN ASP 36 -14.624 1.613 5.476 306 HA ASP 36 HA ASP 36 -16.652 2.162 7.398 307 1HB ASP 36 HB2 ASP 36 -13.762 1.333 7.706 308 2HB ASP 36 HB1 ASP 36 -14.868 1.474 9.072 309 H ARG 37 HN ARG 37 -13.581 3.852 6.740 310 HA ARG 37 HA ARG 37 -13.981 5.687 8.981 311 1HB ARG 37 HB2 ARG 37 -11.967 5.325 6.798 312 2HB ARG 37 HB1 ARG 37 -12.049 6.912 7.553 313 1HG ARG 37 HG2 ARG 37 -11.804 4.336 9.128 314 2HG ARG 37 HG1 ARG 37 -10.408 5.271 8.606 315 1HD ARG 37 HD2 ARG 37 -11.793 7.261 9.789 316 2HD ARG 37 HD1 ARG 37 -12.435 5.909 10.715 317 HE ARG 37 HE ARG 37 -9.885 7.099 11.078 318 1HH1 ARG 37 HH21 ARG 37 -11.311 3.977 10.729 319 2HH1 ARG 37 HH22 ARG 37 -9.939 3.141 11.371 320 1HH2 ARG 37 HH11 ARG 37 -8.105 6.027 11.926 321 2HH2 ARG 37 HH12 ARG 37 -8.127 4.300 12.054 322 H PHE 38 HN PHE 38 -13.640 6.417 5.486 323 HA PHE 38 HA PHE 38 -15.310 8.819 5.889 324 1HB PHE 38 HB2 PHE 38 -13.953 7.851 3.364 325 2HB PHE 38 HB1 PHE 38 -14.544 9.479 3.702 326 HD1 PHE 38 HD1 PHE 38 -13.218 11.038 4.928 327 HD2 PHE 38 HD2 PHE 38 -12.065 6.904 4.746 328 HE1 PHE 38 HE1 PHE 38 -11.043 11.598 5.978 329 HE2 PHE 38 HE2 PHE 38 -9.891 7.465 5.798 330 HZ PHE 38 HZ PHE 38 -9.379 9.812 6.414 331 HA PRO 39 HA PRO 39 -18.683 6.193 4.303 332 1HB PRO 39 HB2 PRO 39 -20.776 7.770 4.965 333 2HB PRO 39 HB1 PRO 39 -19.856 6.875 6.190 334 1HG PRO 39 HG2 PRO 39 -19.679 9.755 5.428 335 2HG PRO 39 HG1 PRO 39 -19.645 9.015 7.038 336 1HD PRO 39 HD2 PRO 39 -17.380 9.818 5.661 337 2HD PRO 39 HD1 PRO 39 -17.381 8.562 6.919 338 H PHE 40 HN PHE 40 -17.684 9.223 3.107 339 HA PHE 40 HA PHE 40 -19.758 9.848 1.258 340 1HB PHE 40 HB2 PHE 40 -16.871 10.246 0.499 341 2HB PHE 40 HB1 PHE 40 -18.241 11.337 0.292 342 HD1 PHE 40 HD1 PHE 40 -19.435 11.388 2.975 343 HD2 PHE 40 HD2 PHE 40 -15.305 11.415 1.798 344 HE1 PHE 40 HE1 PHE 40 -18.847 12.556 5.080 345 HE2 PHE 40 HE2 PHE 40 -14.716 12.587 3.902 346 HZ PHE 40 HZ PHE 40 -16.485 13.156 5.545 347 H TYR 41 HN TYR 41 -16.983 7.679 1.010 348 HA TYR 41 HA TYR 41 -17.324 7.003 -1.751 349 1HB TYR 41 HB2 TYR 41 -15.979 5.530 0.522 350 2HB TYR 41 HB1 TYR 41 -15.809 5.111 -1.189 351 HD1 TYR 41 HD1 TYR 41 -15.081 7.626 1.391 352 HD2 TYR 41 HD2 TYR 41 -14.629 6.573 -2.734 353 HE1 TYR 41 HE1 TYR 41 -13.387 9.418 1.131 354 HE2 TYR 41 HE2 TYR 41 -12.931 8.351 -3.016 355 HH TYR 41 HH TYR 41 -11.451 9.693 -1.754 356 H ARG 42 HN ARG 42 -18.849 5.819 1.169 357 HA ARG 42 HA ARG 42 -19.771 3.300 0.216 358 1HB ARG 42 HB2 ARG 42 -20.989 5.261 2.177 359 2HB ARG 42 HB1 ARG 42 -21.639 3.648 1.890 360 1HG ARG 42 HG2 ARG 42 -19.474 2.655 2.538 361 2HG ARG 42 HG1 ARG 42 -18.823 4.269 2.830 362 1HD ARG 42 HD2 ARG 42 -19.608 3.196 4.933 363 2HD ARG 42 HD1 ARG 42 -20.509 4.665 4.564 364 HE ARG 42 HE ARG 42 -21.990 2.619 3.387 365 1HH1 ARG 42 HH21 ARG 42 -20.729 3.364 6.505 366 2HH1 ARG 42 HH22 ARG 42 -21.999 2.553 7.359 367 1HH2 ARG 42 HH11 ARG 42 -23.654 1.555 4.478 368 2HH2 ARG 42 HH12 ARG 42 -23.657 1.528 6.210 369 H GLU 43 HN GLU 43 -21.136 6.563 -0.112 370 HA GLU 43 HA GLU 43 -23.536 5.672 -1.449 371 1HB GLU 43 HB2 GLU 43 -23.101 7.925 -0.251 372 2HB GLU 43 HB1 GLU 43 -22.305 8.415 -1.746 373 1HG GLU 43 HG2 GLU 43 -24.570 9.153 -1.938 374 2HG GLU 43 HG1 GLU 43 -24.446 7.719 -2.954 375 H ASN 44 HN ASN 44 -20.346 5.798 -2.384 376 HA ASN 44 HA ASN 44 -21.088 5.468 -5.254 377 1HB ASN 44 HB2 ASN 44 -20.307 7.844 -4.822 378 2HB ASN 44 HB1 ASN 44 -18.746 7.168 -4.350 379 1HD2 ASN 44 HD21 ASN 44 -19.074 8.897 -6.647 380 2HD2 ASN 44 HD22 ASN 44 -18.716 7.985 -8.034 381 H LYS 45 HN LYS 45 -20.557 3.268 -5.257 382 HA LYS 45 HA LYS 45 -17.933 2.443 -4.142 383 1HB LYS 45 HB2 LYS 45 -20.214 0.810 -5.261 384 2HB LYS 45 HB1 LYS 45 -18.750 0.156 -4.530 385 1HG LYS 45 HG2 LYS 45 -19.283 1.306 -2.414 386 2HG LYS 45 HG1 LYS 45 -20.750 1.963 -3.139 387 1HD LYS 45 HD2 LYS 45 -21.583 -0.338 -3.518 388 2HD LYS 45 HD1 LYS 45 -20.126 -0.981 -2.761 389 1HE LYS 45 HE2 LYS 45 -22.240 0.750 -1.448 390 2HE LYS 45 HE1 LYS 45 -21.892 -0.942 -1.098 391 1HZ LYS 45 HZ1 LYS 45 -20.865 0.465 0.540 392 2HZ LYS 45 HZ2 LYS 45 -20.064 1.358 -0.663 393 3HZ LYS 45 HZ3 LYS 45 -19.657 -0.270 -0.397 394 H GLN 46 HN GLN 46 -19.446 3.042 -7.226 395 HA GLN 46 HA GLN 46 -17.397 1.471 -8.665 396 1HB GLN 46 HB2 GLN 46 -19.585 3.269 -9.743 397 2HB GLN 46 HB1 GLN 46 -18.595 2.153 -10.680 398 1HG GLN 46 HG2 GLN 46 -20.559 0.916 -10.300 399 2HG GLN 46 HG1 GLN 46 -19.472 0.333 -9.041 400 1HE2 GLN 46 HE21 GLN 46 -21.737 -0.194 -8.038 401 2HE2 GLN 46 HE22 GLN 46 -22.441 1.021 -7.085 402 H GLY 47 HN GLY 47 -15.643 2.320 -9.664 403 1HA GLY 47 HA2 GLY 47 -14.503 4.106 -10.871 404 2HA GLY 47 HA1 GLY 47 -15.387 5.285 -9.908 405 H TRP 48 HN TRP 48 -14.862 5.265 -7.527 406 HA TRP 48 HA TRP 48 -12.061 5.595 -7.158 407 1HB TRP 48 HB2 TRP 48 -12.570 6.184 -4.942 408 2HB TRP 48 HB1 TRP 48 -14.030 6.604 -5.831 409 HD1 TRP 48 HD1 TRP 48 -16.212 5.143 -5.394 410 HE1 TRP 48 HE1 TRP 48 -16.830 3.528 -3.495 411 HE3 TRP 48 HE3 TRP 48 -11.597 4.318 -3.372 412 HZ2 TRP 48 HZ2 TRP 48 -15.555 2.036 -1.424 413 HZ3 TRP 48 HZ3 TRP 48 -11.329 2.784 -1.449 414 HH2 TRP 48 HH2 TRP 48 -13.297 1.643 -0.468 415 H GLN 49 HN GLN 49 -14.186 2.867 -6.386 416 HA GLN 49 HA GLN 49 -12.381 1.393 -4.783 417 1HB GLN 49 HB2 GLN 49 -14.742 0.811 -5.003 418 2HB GLN 49 HB1 GLN 49 -14.505 0.400 -6.700 419 1HG GLN 49 HG2 GLN 49 -13.048 -1.443 -6.115 420 2HG GLN 49 HG1 GLN 49 -13.056 -0.969 -4.416 421 1HE2 GLN 49 HE21 GLN 49 -13.938 -3.574 -5.239 422 2HE2 GLN 49 HE22 GLN 49 -15.607 -3.687 -4.952 423 H ASN 50 HN ASN 50 -12.889 1.118 -8.322 424 HA ASN 50 HA ASN 50 -10.810 -0.851 -8.634 425 1HB ASN 50 HB2 ASN 50 -12.241 0.939 -10.603 426 2HB ASN 50 HB1 ASN 50 -11.052 -0.271 -11.088 427 1HD2 ASN 50 HD21 ASN 50 -13.915 -0.365 -11.760 428 2HD2 ASN 50 HD22 ASN 50 -14.540 -1.768 -11.038 429 H SER 51 HN SER 51 -10.806 2.691 -9.020 430 HA SER 51 HA SER 51 -8.313 2.922 -10.330 431 1HB SER 51 HB2 SER 51 -9.637 4.804 -8.366 432 2HB SER 51 HB1 SER 51 -8.259 5.227 -9.378 433 HG SER 51 HG SER 51 -9.922 4.184 -11.032 434 H ILE 52 HN ILE 52 -8.940 2.743 -6.809 435 HA ILE 52 HA ILE 52 -6.269 3.350 -6.026 436 HB ILE 52 HB ILE 52 -8.364 1.663 -4.655 437 1HG1 ILE 52 HG12 ILE 52 -7.605 4.587 -4.592 438 2HG1 ILE 52 HG11 ILE 52 -9.170 3.884 -4.975 439 1HG2 ILE 52 HG21 ILE 52 -7.128 1.872 -2.623 440 2HG2 ILE 52 HG22 ILE 52 -5.989 3.001 -3.353 441 3HG2 ILE 52 HG23 ILE 52 -5.970 1.301 -3.816 442 1HD1 ILE 52 HD11 ILE 52 -9.386 4.718 -2.762 443 2HD1 ILE 52 HD12 ILE 52 -7.814 4.074 -2.289 444 3HD1 ILE 52 HD13 ILE 52 -9.166 2.977 -2.574 445 H ARG 53 HN ARG 53 -7.765 0.101 -6.535 446 HA ARG 53 HA ARG 53 -5.238 -1.203 -6.030 447 1HB ARG 53 HB2 ARG 53 -6.289 -3.216 -6.997 448 2HB ARG 53 HB1 ARG 53 -7.316 -2.455 -5.786 449 1HG ARG 53 HG2 ARG 53 -8.546 -1.309 -7.644 450 2HG ARG 53 HG1 ARG 53 -7.603 -2.263 -8.794 451 1HD ARG 53 HD2 ARG 53 -8.420 -4.340 -7.739 452 2HD ARG 53 HD1 ARG 53 -9.367 -3.389 -6.597 453 HE ARG 53 HE ARG 53 -10.256 -2.503 -9.062 454 1HH1 ARG 53 HH21 ARG 53 -9.816 -5.566 -7.544 455 2HH1 ARG 53 HH22 ARG 53 -11.144 -6.314 -8.365 456 1HH2 ARG 53 HH11 ARG 53 -11.995 -3.463 -10.145 457 2HH2 ARG 53 HH12 ARG 53 -12.377 -5.124 -9.837 458 H HIS 54 HN HIS 54 -6.717 0.209 -8.876 459 HA HIS 54 HA HIS 54 -4.875 -1.006 -10.758 460 1HB HIS 54 HB2 HIS 54 -7.167 0.367 -11.108 461 2HB HIS 54 HB1 HIS 54 -6.047 1.712 -11.299 462 HD1 HIS 54 HD1 HIS 54 -5.496 2.051 -13.710 463 HD2 HIS 54 HD2 HIS 54 -6.015 -1.988 -12.819 464 HE1 HIS 54 HE1 HIS 54 -5.103 0.784 -15.868 465 H ASN 55 HN ASN 55 -4.944 1.899 -8.774 466 HA ASN 55 HA ASN 55 -2.604 3.190 -9.774 467 1HB ASN 55 HB2 ASN 55 -3.923 3.203 -7.043 468 2HB ASN 55 HB1 ASN 55 -2.523 4.201 -7.433 469 1HD2 ASN 55 HD21 ASN 55 -3.198 4.889 -10.135 470 2HD2 ASN 55 HD22 ASN 55 -4.587 5.863 -10.104 471 H LEU 56 HN LEU 56 -3.051 0.600 -7.398 472 HA LEU 56 HA LEU 56 -0.421 0.554 -6.338 473 1HB LEU 56 HB2 LEU 56 -2.413 -1.680 -6.783 474 2HB LEU 56 HB1 LEU 56 -0.904 -1.897 -5.902 475 HG LEU 56 HG LEU 56 -3.064 0.106 -5.177 476 1HD1 LEU 56 HD11 LEU 56 -2.316 -2.379 -3.632 477 2HD1 LEU 56 HD12 LEU 56 -3.553 -2.422 -4.889 478 3HD1 LEU 56 HD13 LEU 56 -3.765 -1.387 -3.478 479 1HD2 LEU 56 HD21 LEU 56 -1.193 1.041 -4.194 480 2HD2 LEU 56 HD22 LEU 56 -0.318 -0.487 -4.129 481 3HD2 LEU 56 HD23 LEU 56 -1.571 -0.138 -2.943 482 H SER 57 HN SER 57 -1.746 -1.085 -9.219 483 HA SER 57 HA SER 57 0.571 -2.611 -9.820 484 1HB SER 57 HB2 SER 57 -1.668 -2.870 -10.921 485 2HB SER 57 HB1 SER 57 -1.353 -1.386 -11.817 486 HG SER 57 HG SER 57 -0.760 -3.568 -12.756 487 H LEU 58 HN LEU 58 -0.344 0.669 -10.926 488 HA LEU 58 HA LEU 58 2.095 1.046 -12.435 489 1HB LEU 58 HB2 LEU 58 -0.045 2.905 -11.401 490 2HB LEU 58 HB1 LEU 58 1.412 3.544 -12.162 491 HG LEU 58 HG LEU 58 0.955 2.211 -14.181 492 1HD1 LEU 58 HD11 LEU 58 -0.188 0.296 -13.382 493 2HD1 LEU 58 HD12 LEU 58 -1.414 1.185 -14.285 494 3HD1 LEU 58 HD13 LEU 58 -1.387 1.264 -12.524 495 1HD2 LEU 58 HD21 LEU 58 -0.862 3.543 -14.999 496 2HD2 LEU 58 HD22 LEU 58 -0.038 4.530 -13.790 497 3HD2 LEU 58 HD23 LEU 58 -1.549 3.716 -13.383 498 H ASN 59 HN ASN 59 1.101 1.815 -9.117 499 HA ASN 59 HA ASN 59 3.557 3.260 -8.527 500 1HB ASN 59 HB2 ASN 59 1.392 2.085 -6.760 501 2HB ASN 59 HB1 ASN 59 2.754 3.020 -6.142 502 1HD2 ASN 59 HD21 ASN 59 -0.230 3.691 -6.255 503 2HD2 ASN 59 HD22 ASN 59 -0.295 5.194 -7.043 504 H GLU 60 HN GLU 60 5.459 2.191 -8.509 505 HA GLU 60 HA GLU 60 5.574 -0.673 -7.816 506 1HB GLU 60 HB2 GLU 60 7.675 1.314 -8.724 507 2HB GLU 60 HB1 GLU 60 7.999 -0.391 -8.405 508 1HG GLU 60 HG2 GLU 60 5.877 0.560 -10.347 509 2HG GLU 60 HG1 GLU 60 7.525 0.158 -10.836 510 H CYS 61 HN CYS 61 5.777 2.277 -6.172 511 HA CYS 61 HA CYS 61 7.846 1.793 -4.279 512 1HB CYS 61 HB2 CYS 61 6.728 3.437 -2.879 513 2HB CYS 61 HB1 CYS 61 6.624 3.965 -4.558 514 HG CYS 61 HG CYS 61 4.187 2.330 -3.743 515 H PHE 62 HN PHE 62 4.475 0.710 -4.391 516 HA PHE 62 HA PHE 62 4.602 -0.478 -1.727 517 1HB PHE 62 HB2 PHE 62 2.611 -0.765 -3.997 518 2HB PHE 62 HB1 PHE 62 2.420 -1.523 -2.417 519 HD1 PHE 62 HD1 PHE 62 1.855 1.450 -4.320 520 HD2 PHE 62 HD2 PHE 62 2.583 0.021 -0.336 521 HE1 PHE 62 HE1 PHE 62 0.927 3.556 -3.395 522 HE2 PHE 62 HE2 PHE 62 1.655 2.126 0.590 523 HZ PHE 62 HZ PHE 62 0.827 3.894 -0.940 524 H VAL 63 HN VAL 63 4.813 -2.710 -1.266 525 HA VAL 63 HA VAL 63 5.967 -4.373 -3.485 526 HB VAL 63 HB VAL 63 6.611 -4.368 -0.523 527 1HG1 VAL 63 HG11 VAL 63 8.456 -5.932 -1.304 528 2HG1 VAL 63 HG12 VAL 63 7.593 -6.058 -2.837 529 3HG1 VAL 63 HG13 VAL 63 6.830 -6.615 -1.349 530 1HG2 VAL 63 HG21 VAL 63 8.761 -3.473 -1.222 531 2HG2 VAL 63 HG22 VAL 63 7.491 -2.443 -1.882 532 3HG2 VAL 63 HG23 VAL 63 8.308 -3.610 -2.921 533 H LYS 64 HN LYS 64 4.981 -6.271 -3.897 534 HA LYS 64 HA LYS 64 2.601 -7.049 -2.403 535 1HB LYS 64 HB2 LYS 64 4.124 -8.474 -4.611 536 2HB LYS 64 HB1 LYS 64 2.547 -8.961 -3.993 537 1HG LYS 64 HG2 LYS 64 1.600 -6.792 -4.684 538 2HG LYS 64 HG1 LYS 64 3.178 -6.303 -5.307 539 1HD LYS 64 HD2 LYS 64 3.155 -8.207 -6.877 540 2HD LYS 64 HD1 LYS 64 1.580 -8.702 -6.259 541 1HE LYS 64 HE2 LYS 64 0.479 -6.894 -7.243 542 2HE LYS 64 HE1 LYS 64 1.936 -5.900 -7.302 543 1HZ LYS 64 HZ1 LYS 64 1.366 -8.292 -8.966 544 2HZ LYS 64 HZ2 LYS 64 2.823 -7.419 -8.985 545 3HZ LYS 64 HZ3 LYS 64 1.381 -6.678 -9.492 546 H VAL 65 HN VAL 65 2.370 -9.188 -1.376 547 HA VAL 65 HA VAL 65 4.937 -10.408 -0.428 548 HB VAL 65 HB VAL 65 2.540 -9.703 1.293 549 1HG1 VAL 65 HG11 VAL 65 3.454 -11.755 2.106 550 2HG1 VAL 65 HG12 VAL 65 4.149 -10.492 3.121 551 3HG1 VAL 65 HG13 VAL 65 5.109 -11.212 1.827 552 1HG2 VAL 65 HG21 VAL 65 4.040 -8.137 2.382 553 2HG2 VAL 65 HG22 VAL 65 4.068 -7.804 0.649 554 3HG2 VAL 65 HG23 VAL 65 5.397 -8.689 1.400 555 HA PRO 66 HA PRO 66 2.094 -13.543 -2.393 556 1HB PRO 66 HB2 PRO 66 4.740 -14.955 -2.215 557 2HB PRO 66 HB1 PRO 66 3.559 -14.939 -3.541 558 1HG PRO 66 HG2 PRO 66 5.764 -13.483 -3.691 559 2HG PRO 66 HG1 PRO 66 4.218 -12.846 -4.278 560 1HD PRO 66 HD2 PRO 66 5.711 -12.149 -1.777 561 2HD PRO 66 HD1 PRO 66 4.691 -11.116 -2.803 562 H ARG 67 HN ARG 67 0.955 -15.089 -1.288 563 HA ARG 67 HA ARG 67 1.748 -15.698 1.489 564 1HB ARG 67 HB2 ARG 67 -0.471 -16.693 1.671 565 2HB ARG 67 HB1 ARG 67 -0.615 -15.122 0.885 566 1HG ARG 67 HG2 ARG 67 -0.518 -16.338 -1.339 567 2HG ARG 67 HG1 ARG 67 -0.656 -17.848 -0.438 568 1HD ARG 67 HD2 ARG 67 -2.771 -17.008 0.581 569 2HD ARG 67 HD1 ARG 67 -2.646 -15.560 -0.414 570 HE ARG 67 HE ARG 67 -2.515 -17.650 -2.242 571 1HH1 ARG 67 HH21 ARG 67 -4.629 -16.651 0.291 572 2HH1 ARG 67 HH22 ARG 67 -6.048 -17.311 -0.452 573 1HH2 ARG 67 HH11 ARG 67 -4.357 -18.517 -3.228 574 2HH2 ARG 67 HH12 ARG 67 -5.894 -18.366 -2.444 575 H ASP 68 HN ASP 68 2.118 -17.874 2.235 576 HA ASP 68 HA ASP 68 3.535 -19.562 0.415 577 1HB ASP 68 HB2 ASP 68 2.338 -20.101 3.140 578 2HB ASP 68 HB1 ASP 68 3.288 -21.298 2.261 579 H ASP 69 HN ASP 69 2.871 -21.316 -0.800 580 HA ASP 69 HA ASP 69 0.119 -21.477 -1.579 581 1HB ASP 69 HB2 ASP 69 2.457 -23.350 -2.020 582 2HB ASP 69 HB1 ASP 69 0.870 -23.593 -2.749 583 H LYS 70 HN LYS 70 2.082 -23.479 0.624 584 HA LYS 70 HA LYS 70 0.084 -25.477 1.045 585 1HB LYS 70 HB2 LYS 70 2.391 -24.548 2.766 586 2HB LYS 70 HB1 LYS 70 1.368 -25.926 3.185 587 1HG LYS 70 HG2 LYS 70 1.912 -26.992 1.031 588 2HG LYS 70 HG1 LYS 70 2.936 -25.626 0.605 589 1HD LYS 70 HD2 LYS 70 3.368 -27.288 3.098 590 2HD LYS 70 HD1 LYS 70 4.141 -27.663 1.561 591 1HE LYS 70 HE2 LYS 70 4.907 -25.138 1.652 592 2HE LYS 70 HE1 LYS 70 4.586 -25.311 3.377 593 1HZ LYS 70 HZ1 LYS 70 6.536 -26.308 3.562 594 2HZ LYS 70 HZ2 LYS 70 6.779 -26.254 1.881 595 3HZ LYS 70 HZ3 LYS 70 5.974 -27.575 2.584 596 H LYS 71 HN LYS 71 0.693 -22.393 2.734 597 HA LYS 71 HA LYS 71 -1.560 -22.906 4.556 598 1HB LYS 71 HB2 LYS 71 0.341 -21.760 5.495 599 2HB LYS 71 HB1 LYS 71 0.328 -20.570 4.195 600 1HG LYS 71 HG2 LYS 71 -1.701 -19.604 4.954 601 2HG LYS 71 HG1 LYS 71 -2.028 -20.957 6.037 602 1HD LYS 71 HD2 LYS 71 -0.003 -20.348 7.357 603 2HD LYS 71 HD1 LYS 71 0.227 -18.947 6.310 604 1HE LYS 71 HE2 LYS 71 -2.096 -18.195 6.944 605 2HE LYS 71 HE1 LYS 71 -2.129 -19.497 8.134 606 1HZ LYS 71 HZ1 LYS 71 -1.352 -17.182 8.868 607 2HZ LYS 71 HZ2 LYS 71 0.100 -17.570 8.076 608 3HZ LYS 71 HZ3 LYS 71 -0.449 -18.528 9.367 609 HA PRO 72 HA PRO 72 -4.039 -20.849 1.335 610 1HB PRO 72 HB2 PRO 72 -6.517 -21.410 2.313 611 2HB PRO 72 HB1 PRO 72 -5.528 -22.617 1.470 612 1HG PRO 72 HG2 PRO 72 -6.009 -22.274 4.388 613 2HG PRO 72 HG1 PRO 72 -5.842 -23.760 3.441 614 1HD PRO 72 HD2 PRO 72 -3.814 -22.650 4.989 615 2HD PRO 72 HD1 PRO 72 -3.541 -23.769 3.635 616 H GLY 73 HN GLY 73 -3.747 -18.664 1.599 617 1HA GLY 73 HA2 GLY 73 -4.904 -17.312 3.992 618 2HA GLY 73 HA1 GLY 73 -3.724 -16.609 2.886 619 H LYS 74 HN LYS 74 -5.217 -14.768 2.754 620 HA LYS 74 HA LYS 74 -7.672 -15.278 1.125 621 1HB LYS 74 HB2 LYS 74 -6.816 -12.807 2.664 622 2HB LYS 74 HB1 LYS 74 -8.341 -13.002 1.805 623 1HG LYS 74 HG2 LYS 74 -7.447 -14.829 4.053 624 2HG LYS 74 HG1 LYS 74 -8.470 -13.416 4.299 625 1HD LYS 74 HD2 LYS 74 -10.014 -14.458 2.499 626 2HD LYS 74 HD1 LYS 74 -9.103 -15.944 2.770 627 1HE LYS 74 HE2 LYS 74 -9.626 -15.780 5.201 628 2HE LYS 74 HE1 LYS 74 -10.637 -14.377 4.858 629 1HZ LYS 74 HZ1 LYS 74 -11.968 -15.757 3.375 630 2HZ LYS 74 HZ2 LYS 74 -11.954 -16.389 4.952 631 3HZ LYS 74 HZ3 LYS 74 -11.004 -17.105 3.739 632 H GLY 75 HN GLY 75 -4.721 -15.064 0.270 633 1HA GLY 75 HA2 GLY 75 -4.305 -14.510 -2.130 634 2HA GLY 75 HA1 GLY 75 -5.151 -12.988 -1.861 635 H SER 76 HN SER 76 -3.071 -12.113 -2.751 636 HA SER 76 HA SER 76 -0.681 -12.282 -1.085 637 1HB SER 76 HB2 SER 76 -0.472 -11.943 -3.505 638 2HB SER 76 HB1 SER 76 -1.398 -10.448 -3.395 639 HG SER 76 HG SER 76 1.164 -11.037 -2.341 640 H TYR 77 HN TYR 77 0.117 -10.666 0.288 641 HA TYR 77 HA TYR 77 -1.888 -8.634 1.176 642 1HB TYR 77 HB2 TYR 77 0.610 -9.349 2.700 643 2HB TYR 77 HB1 TYR 77 -0.936 -8.761 3.312 644 HD1 TYR 77 HD1 TYR 77 -2.950 -10.458 2.178 645 HD2 TYR 77 HD2 TYR 77 1.001 -11.514 3.488 646 HE1 TYR 77 HE1 TYR 77 -3.695 -12.792 2.541 647 HE2 TYR 77 HE2 TYR 77 0.258 -13.851 3.849 648 HH TYR 77 HH TYR 77 -2.387 -15.155 2.564 649 H TRP 78 HN TRP 78 -0.978 -6.495 1.799 650 HA TRP 78 HA TRP 78 1.347 -5.724 0.056 651 1HB TRP 78 HB2 TRP 78 -1.125 -4.148 0.838 652 2HB TRP 78 HB1 TRP 78 0.230 -3.504 -0.092 653 HD1 TRP 78 HD1 TRP 78 -2.569 -6.121 -0.308 654 HE1 TRP 78 HE1 TRP 78 -2.971 -6.689 -2.790 655 HE3 TRP 78 HE3 TRP 78 1.242 -3.488 -2.443 656 HZ2 TRP 78 HZ2 TRP 78 -1.815 -6.105 -5.347 657 HZ3 TRP 78 HZ3 TRP 78 1.565 -3.498 -4.902 658 HH2 TRP 78 HH2 TRP 78 0.041 -4.799 -6.352 659 H THR 79 HN THR 79 2.956 -4.509 0.994 660 HA THR 79 HA THR 79 2.556 -3.439 3.743 661 HB THR 79 HB THR 79 3.478 -5.741 3.988 662 HG1 THR 79 HG1 THR 79 4.357 -3.545 5.028 663 1HG2 THR 79 HG21 THR 79 5.567 -6.365 3.038 664 2HG2 THR 79 HG22 THR 79 5.929 -4.707 2.560 665 3HG2 THR 79 HG23 THR 79 4.668 -5.610 1.722 666 H LEU 80 HN LEU 80 4.298 -1.912 4.335 667 HA LEU 80 HA LEU 80 5.120 -0.311 2.038 668 1HB LEU 80 HB2 LEU 80 5.720 -0.057 5.000 669 2HB LEU 80 HB1 LEU 80 6.210 1.126 3.791 670 HG LEU 80 HG LEU 80 3.338 0.279 4.256 671 1HD1 LEU 80 HD11 LEU 80 3.113 2.474 5.411 672 2HD1 LEU 80 HD12 LEU 80 4.857 2.694 5.281 673 3HD1 LEU 80 HD13 LEU 80 4.207 1.378 6.258 674 1HD2 LEU 80 HD21 LEU 80 3.072 2.635 3.096 675 2HD2 LEU 80 HD22 LEU 80 3.392 1.215 2.109 676 3HD2 LEU 80 HD23 LEU 80 4.704 2.323 2.508 677 H ASP 81 HN ASP 81 7.412 0.316 1.694 678 HA ASP 81 HA ASP 81 9.107 -1.952 1.406 679 1HB ASP 81 HB2 ASP 81 10.044 0.926 1.554 680 2HB ASP 81 HB1 ASP 81 10.765 -0.393 0.632 681 HA PRO 82 HA PRO 82 11.042 -2.534 5.391 682 1HB PRO 82 HB2 PRO 82 13.685 -2.035 4.047 683 2HB PRO 82 HB1 PRO 82 13.198 -3.368 5.114 684 1HG PRO 82 HG2 PRO 82 13.373 -3.722 2.494 685 2HG PRO 82 HG1 PRO 82 12.068 -4.474 3.427 686 1HD PRO 82 HD2 PRO 82 11.945 -2.124 1.582 687 2HD PRO 82 HD1 PRO 82 10.717 -3.363 1.925 688 H ASP 83 HN ASP 83 13.822 -1.173 5.736 689 HA ASP 83 HA ASP 83 12.918 1.113 7.180 690 1HB ASP 83 HB2 ASP 83 15.634 0.388 6.043 691 2HB ASP 83 HB1 ASP 83 15.368 1.805 7.059 692 H SER 84 HN SER 84 14.400 0.833 3.952 693 HA SER 84 HA SER 84 12.817 2.872 2.771 694 1HB SER 84 HB2 SER 84 13.857 4.559 4.027 695 2HB SER 84 HB1 SER 84 15.419 3.746 4.004 696 HG SER 84 HG SER 84 15.780 4.468 2.009 697 H TYR 85 HN TYR 85 13.690 0.333 2.025 698 HA TYR 85 HA TYR 85 16.022 0.324 0.385 699 1HB TYR 85 HB2 TYR 85 14.320 -1.606 1.202 700 2HB TYR 85 HB1 TYR 85 13.679 -1.371 -0.420 701 HD1 TYR 85 HD1 TYR 85 14.889 -2.137 -2.354 702 HD2 TYR 85 HD2 TYR 85 16.736 -2.171 1.527 703 HE1 TYR 85 HE1 TYR 85 16.773 -3.472 -3.262 704 HE2 TYR 85 HE2 TYR 85 18.617 -3.510 0.617 705 HH TYR 85 HH TYR 85 18.975 -4.087 -2.809 706 H ASN 86 HN ASN 86 12.640 1.141 -0.303 707 HA ASN 86 HA ASN 86 13.546 2.442 -2.844 708 1HB ASN 86 HB2 ASN 86 12.416 0.200 -3.233 709 2HB ASN 86 HB1 ASN 86 10.953 0.916 -2.555 710 1HD2 ASN 86 HD21 ASN 86 13.450 2.254 -4.792 711 2HD2 ASN 86 HD22 ASN 86 12.340 2.700 -5.997 712 H MET 87 HN MET 87 12.842 3.428 -0.081 713 HA MET 87 HA MET 87 10.268 4.756 -0.335 714 1HB MET 87 HB2 MET 87 12.577 4.944 1.589 715 2HB MET 87 HB1 MET 87 11.322 6.182 1.619 716 1HG MET 87 HG2 MET 87 10.710 3.220 1.758 717 2HG MET 87 HG1 MET 87 10.940 4.225 3.191 718 1HE MET 87 HE1 MET 87 7.050 3.313 2.137 719 2HE MET 87 HE2 MET 87 8.434 2.677 3.023 720 3HE MET 87 HE3 MET 87 8.406 2.590 1.263 721 H PHE 88 HN PHE 88 12.629 5.111 -2.306 722 HA PHE 88 HA PHE 88 13.020 8.042 -2.211 723 1HB PHE 88 HB2 PHE 88 14.033 5.852 -4.041 724 2HB PHE 88 HB1 PHE 88 14.344 7.563 -4.338 725 HD1 PHE 88 HD1 PHE 88 14.893 4.764 -1.967 726 HD2 PHE 88 HD2 PHE 88 15.922 8.800 -3.016 727 HE1 PHE 88 HE1 PHE 88 16.780 4.702 -0.357 728 HE2 PHE 88 HE2 PHE 88 17.810 8.737 -1.409 729 HZ PHE 88 HZ PHE 88 18.238 6.688 -0.079 730 H GLU 89 HN GLU 89 10.315 7.041 -2.584 731 HA GLU 89 HA GLU 89 9.595 7.141 -5.377 732 1HB GLU 89 HB2 GLU 89 7.265 7.503 -4.477 733 2HB GLU 89 HB1 GLU 89 8.074 6.076 -3.833 734 1HG GLU 89 HG2 GLU 89 8.698 7.315 -1.809 735 2HG GLU 89 HG1 GLU 89 7.951 8.776 -2.455 736 H ASN 90 HN ASN 90 8.035 8.918 -6.170 737 HA ASN 90 HA ASN 90 9.423 11.423 -6.097 738 1HB ASN 90 HB2 ASN 90 7.515 12.281 -7.411 739 2HB ASN 90 HB1 ASN 90 8.047 10.715 -8.027 740 1HD2 ASN 90 HD21 ASN 90 5.593 10.958 -8.827 741 2HD2 ASN 90 HD22 ASN 90 4.437 10.254 -7.802 742 H GLY 91 HN GLY 91 7.670 10.057 -3.723 743 1HA GLY 91 HA2 GLY 91 6.292 12.515 -2.813 744 2HA GLY 91 HA1 GLY 91 6.195 10.927 -2.049 745 H SER 92 HN SER 92 6.787 11.657 0.011 746 HA SER 92 HA SER 92 9.604 11.770 0.564 747 1HB SER 92 HB2 SER 92 8.074 14.371 0.512 748 2HB SER 92 HB1 SER 92 9.475 14.162 1.559 749 HG SER 92 HG SER 92 10.752 14.098 -0.142 750 H PHE 93 HN PHE 93 9.673 10.751 2.513 751 HA PHE 93 HA PHE 93 7.318 10.766 4.269 752 1HB PHE 93 HB2 PHE 93 8.641 8.699 3.992 753 2HB PHE 93 HB1 PHE 93 10.054 9.514 4.663 754 HD1 PHE 93 HD1 PHE 93 10.220 10.023 7.030 755 HD2 PHE 93 HD2 PHE 93 6.685 8.190 5.415 756 HE1 PHE 93 HE1 PHE 93 9.440 9.504 9.325 757 HE2 PHE 93 HE2 PHE 93 5.908 7.669 7.711 758 HZ PHE 93 HZ PHE 93 7.285 8.325 9.666 759 H LEU 94 HN LEU 94 7.052 12.108 5.995 760 HA LEU 94 HA LEU 94 8.930 14.254 6.458 761 1HB LEU 94 HB2 LEU 94 6.479 14.479 6.809 762 2HB LEU 94 HB1 LEU 94 6.580 13.339 8.147 763 HG LEU 94 HG LEU 94 8.149 14.880 9.312 764 1HD1 LEU 94 HD11 LEU 94 7.750 16.451 6.778 765 2HD1 LEU 94 HD12 LEU 94 9.225 16.182 7.705 766 3HD1 LEU 94 HD13 LEU 94 8.017 17.320 8.288 767 1HD2 LEU 94 HD21 LEU 94 6.427 16.656 9.783 768 2HD2 LEU 94 HD22 LEU 94 5.793 15.012 9.860 769 3HD2 LEU 94 HD23 LEU 94 5.475 16.013 8.444 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -22.896 16.116 2.635 2 2H MET 1 HT2 MET 1 -24.002 16.704 1.488 3 3H MET 1 HT3 MET 1 -23.963 17.366 3.052 4 HA MET 1 HA MET 1 -22.589 18.247 0.811 5 1HB MET 1 HB2 MET 1 -22.385 18.907 3.763 6 2HB MET 1 HB1 MET 1 -21.668 19.885 2.481 7 1HG MET 1 HG2 MET 1 -23.898 20.190 1.465 8 2HG MET 1 HG1 MET 1 -24.613 19.217 2.749 9 1HE MET 1 HE1 MET 1 -22.743 22.196 1.640 10 2HE MET 1 HE2 MET 1 -21.714 22.151 3.069 11 3HE MET 1 HE3 MET 1 -22.908 23.434 2.891 12 H LEU 2 HN LEU 2 -21.726 15.526 1.895 13 HA LEU 2 HA LEU 2 -19.016 15.815 2.856 14 1HB LEU 2 HB2 LEU 2 -20.184 13.451 1.363 15 2HB LEU 2 HB1 LEU 2 -18.830 13.441 2.492 16 HG LEU 2 HG LEU 2 -21.697 14.132 3.199 17 1HD1 LEU 2 HD11 LEU 2 -19.992 11.674 3.685 18 2HD1 LEU 2 HD12 LEU 2 -21.496 11.764 2.769 19 3HD1 LEU 2 HD13 LEU 2 -21.515 11.986 4.518 20 1HD2 LEU 2 HD21 LEU 2 -19.110 14.063 4.762 21 2HD2 LEU 2 HD22 LEU 2 -20.663 13.840 5.567 22 3HD2 LEU 2 HD23 LEU 2 -20.326 15.339 4.706 23 H VAL 3 HN VAL 3 -17.099 15.779 1.695 24 HA VAL 3 HA VAL 3 -17.285 15.766 -1.298 25 HB VAL 3 HB VAL 3 -15.609 17.570 -1.362 26 1HG1 VAL 3 HG11 VAL 3 -17.941 18.244 -1.439 27 2HG1 VAL 3 HG12 VAL 3 -17.061 19.398 -0.438 28 3HG1 VAL 3 HG13 VAL 3 -18.064 18.160 0.317 29 1HG2 VAL 3 HG21 VAL 3 -15.859 17.359 1.646 30 2HG2 VAL 3 HG22 VAL 3 -15.223 18.802 0.855 31 3HG2 VAL 3 HG23 VAL 3 -14.394 17.256 0.668 32 H LYS 4 HN LYS 4 -15.204 15.149 -2.315 33 HA LYS 4 HA LYS 4 -14.078 12.835 -1.179 34 1HB LYS 4 HB2 LYS 4 -12.720 14.709 -3.134 35 2HB LYS 4 HB1 LYS 4 -12.370 12.994 -2.904 36 1HG LYS 4 HG2 LYS 4 -14.849 12.587 -3.470 37 2HG LYS 4 HG1 LYS 4 -14.867 14.251 -4.050 38 1HD LYS 4 HD2 LYS 4 -13.033 13.740 -5.610 39 2HD LYS 4 HD1 LYS 4 -12.991 12.076 -5.021 40 1HE LYS 4 HE2 LYS 4 -15.420 11.874 -5.692 41 2HE LYS 4 HE1 LYS 4 -15.268 13.447 -6.474 42 1HZ LYS 4 HZ1 LYS 4 -13.814 10.949 -7.123 43 2HZ LYS 4 HZ2 LYS 4 -13.346 12.470 -7.721 44 3HZ LYS 4 HZ3 LYS 4 -14.869 11.828 -8.119 45 HA PRO 5 HA PRO 5 -11.842 14.796 2.274 46 1HB PRO 5 HB2 PRO 5 -10.284 12.259 1.800 47 2HB PRO 5 HB1 PRO 5 -10.731 13.019 3.345 48 1HG PRO 5 HG2 PRO 5 -12.131 10.984 2.435 49 2HG PRO 5 HG1 PRO 5 -12.959 12.378 3.155 50 1HD PRO 5 HD2 PRO 5 -12.780 11.579 0.282 51 2HD PRO 5 HD1 PRO 5 -14.072 12.464 1.125 52 HA PRO 6 HA PRO 6 -8.382 16.584 0.078 53 1HB PRO 6 HB2 PRO 6 -6.914 17.605 2.118 54 2HB PRO 6 HB1 PRO 6 -8.511 18.257 1.697 55 1HG PRO 6 HG2 PRO 6 -7.777 16.328 3.863 56 2HG PRO 6 HG1 PRO 6 -8.835 17.750 3.940 57 1HD PRO 6 HD2 PRO 6 -9.811 15.206 3.671 58 2HD PRO 6 HD1 PRO 6 -10.635 16.628 2.991 59 H TYR 7 HN TYR 7 -8.175 13.669 0.847 60 HA TYR 7 HA TYR 7 -5.206 13.457 1.233 61 1HB TYR 7 HB2 TYR 7 -7.335 11.326 1.605 62 2HB TYR 7 HB1 TYR 7 -5.624 11.183 2.003 63 HD1 TYR 7 HD1 TYR 7 -8.742 11.704 3.429 64 HD2 TYR 7 HD2 TYR 7 -4.763 13.324 3.508 65 HE1 TYR 7 HE1 TYR 7 -9.186 12.675 5.660 66 HE2 TYR 7 HE2 TYR 7 -5.207 14.293 5.744 67 HH TYR 7 HH TYR 7 -7.112 13.487 7.752 68 H SER 8 HN SER 8 -4.030 12.604 -0.435 69 HA SER 8 HA SER 8 -5.242 12.224 -3.015 70 1HB SER 8 HB2 SER 8 -2.839 12.861 -2.653 71 2HB SER 8 HB1 SER 8 -2.538 11.232 -2.054 72 HG SER 8 HG SER 8 -3.525 11.949 -4.622 73 H TYR 9 HN TYR 9 -5.238 10.105 -4.213 74 HA TYR 9 HA TYR 9 -6.559 8.069 -2.719 75 1HB TYR 9 HB2 TYR 9 -5.184 8.070 -5.414 76 2HB TYR 9 HB1 TYR 9 -5.919 6.608 -4.759 77 HD1 TYR 9 HD1 TYR 9 -8.376 6.612 -4.164 78 HD2 TYR 9 HD2 TYR 9 -6.519 9.815 -6.340 79 HE1 TYR 9 HE1 TYR 9 -10.604 7.389 -4.918 80 HE2 TYR 9 HE2 TYR 9 -8.749 10.595 -7.094 81 HH TYR 9 HH TYR 9 -11.672 9.388 -5.738 82 H ILE 10 HN ILE 10 -3.164 8.477 -3.675 83 HA ILE 10 HA ILE 10 -2.231 5.961 -2.676 84 HB ILE 10 HB ILE 10 -0.840 8.636 -3.001 85 1HG1 ILE 10 HG12 ILE 10 -0.647 6.095 -4.645 86 2HG1 ILE 10 HG11 ILE 10 -1.736 7.425 -5.040 87 1HG2 ILE 10 HG21 ILE 10 0.450 7.434 -1.386 88 2HG2 ILE 10 HG22 ILE 10 1.252 7.162 -2.932 89 3HG2 ILE 10 HG23 ILE 10 0.227 5.907 -2.239 90 1HD1 ILE 10 HD11 ILE 10 1.287 7.487 -4.932 91 2HD1 ILE 10 HD12 ILE 10 0.303 8.948 -5.014 92 3HD1 ILE 10 HD13 ILE 10 0.253 7.776 -6.330 93 H ALA 11 HN ALA 11 -2.601 9.155 -1.148 94 HA ALA 11 HA ALA 11 -1.413 8.495 1.357 95 1HB ALA 11 HB1 ALA 11 -2.656 10.411 2.247 96 2HB ALA 11 HB2 ALA 11 -3.721 10.404 0.840 97 3HB ALA 11 HB3 ALA 11 -2.015 10.812 0.654 98 H LEU 12 HN LEU 12 -4.801 8.223 0.249 99 HA LEU 12 HA LEU 12 -5.859 7.257 2.717 100 1HB LEU 12 HB2 LEU 12 -6.687 6.742 -0.153 101 2HB LEU 12 HB1 LEU 12 -7.626 6.193 1.232 102 HG LEU 12 HG LEU 12 -6.850 9.088 0.766 103 1HD1 LEU 12 HD11 LEU 12 -9.407 7.605 0.087 104 2HD1 LEU 12 HD12 LEU 12 -8.294 8.365 -1.051 105 3HD1 LEU 12 HD13 LEU 12 -9.237 9.360 0.058 106 1HD2 LEU 12 HD21 LEU 12 -8.561 7.630 2.779 107 2HD2 LEU 12 HD22 LEU 12 -8.966 9.286 2.340 108 3HD2 LEU 12 HD23 LEU 12 -7.394 8.925 3.041 109 H ILE 13 HN ILE 13 -4.356 5.581 -0.027 110 HA ILE 13 HA ILE 13 -4.711 2.932 1.078 111 HB ILE 13 HB ILE 13 -2.692 3.968 -0.931 112 1HG1 ILE 13 HG12 ILE 13 -5.299 2.491 -1.402 113 2HG1 ILE 13 HG11 ILE 13 -5.157 4.243 -1.491 114 1HG2 ILE 13 HG21 ILE 13 -2.647 1.548 -1.628 115 2HG2 ILE 13 HG22 ILE 13 -3.569 1.169 -0.174 116 3HG2 ILE 13 HG23 ILE 13 -1.947 1.849 -0.039 117 1HD1 ILE 13 HD11 ILE 13 -4.868 3.585 -3.727 118 2HD1 ILE 13 HD12 ILE 13 -3.934 2.158 -3.286 119 3HD1 ILE 13 HD13 ILE 13 -3.205 3.759 -3.169 120 H THR 14 HN THR 14 -2.053 5.302 1.138 121 HA THR 14 HA THR 14 -0.135 3.675 2.459 122 HB THR 14 HB THR 14 -0.536 6.670 2.666 123 HG1 THR 14 HG1 THR 14 1.172 6.570 1.046 124 1HG2 THR 14 HG21 THR 14 1.946 6.616 3.144 125 2HG2 THR 14 HG22 THR 14 1.802 4.867 3.324 126 3HG2 THR 14 HG23 THR 14 0.936 5.940 4.423 127 H MET 15 HN MET 15 -2.716 5.737 3.775 128 HA MET 15 HA MET 15 -1.949 5.351 6.532 129 1HB MET 15 HB2 MET 15 -4.548 6.217 5.247 130 2HB MET 15 HB1 MET 15 -4.308 6.158 6.992 131 1HG MET 15 HG2 MET 15 -2.287 7.652 6.667 132 2HG MET 15 HG1 MET 15 -2.790 7.847 4.988 133 1HE MET 15 HE1 MET 15 -4.773 8.750 4.152 134 2HE MET 15 HE2 MET 15 -5.955 9.767 4.971 135 3HE MET 15 HE3 MET 15 -6.049 8.015 5.133 136 H ALA 16 HN ALA 16 -4.164 3.675 4.346 137 HA ALA 16 HA ALA 16 -5.456 2.027 6.260 138 1HB ALA 16 HB1 ALA 16 -4.806 1.680 3.334 139 2HB ALA 16 HB2 ALA 16 -6.365 2.042 4.075 140 3HB ALA 16 HB3 ALA 16 -5.667 0.430 4.233 141 H ILE 17 HN ILE 17 -2.468 1.423 4.383 142 HA ILE 17 HA ILE 17 -1.952 -1.195 5.378 143 HB ILE 17 HB ILE 17 0.076 0.951 4.666 144 1HG1 ILE 17 HG12 ILE 17 -1.110 -1.176 2.865 145 2HG1 ILE 17 HG11 ILE 17 -1.718 0.478 2.931 146 1HG2 ILE 17 HG21 ILE 17 1.069 -0.985 5.787 147 2HG2 ILE 17 HG22 ILE 17 1.473 -1.034 4.071 148 3HG2 ILE 17 HG23 ILE 17 0.205 -2.082 4.710 149 1HD1 ILE 17 HD11 ILE 17 -0.101 0.278 1.103 150 2HD1 ILE 17 HD12 ILE 17 1.109 -0.356 2.219 151 3HD1 ILE 17 HD13 ILE 17 0.558 1.313 2.371 152 H GLN 18 HN GLN 18 -0.784 1.959 6.488 153 HA GLN 18 HA GLN 18 0.624 0.982 8.793 154 1HB GLN 18 HB2 GLN 18 -0.519 3.704 8.103 155 2HB GLN 18 HB1 GLN 18 0.498 3.400 9.514 156 1HG GLN 18 HG2 GLN 18 2.343 2.704 8.135 157 2HG GLN 18 HG1 GLN 18 1.334 2.705 6.689 158 1HE2 GLN 18 HE21 GLN 18 3.793 4.327 7.168 159 2HE2 GLN 18 HE22 GLN 18 3.311 5.948 7.023 160 H ASN 19 HN ASN 19 -2.673 2.176 8.299 161 HA ASN 19 HA ASN 19 -3.359 2.047 11.126 162 1HB ASN 19 HB2 ASN 19 -5.029 2.325 8.612 163 2HB ASN 19 HB1 ASN 19 -5.708 2.357 10.241 164 1HD2 ASN 19 HD21 ASN 19 -2.732 3.682 10.681 165 2HD2 ASN 19 HD22 ASN 19 -3.091 5.321 10.427 166 H ALA 20 HN ALA 20 -2.699 -0.348 8.970 167 HA ALA 20 HA ALA 20 -4.913 -2.147 9.564 168 1HB ALA 20 HB1 ALA 20 -2.223 -3.084 8.573 169 2HB ALA 20 HB2 ALA 20 -3.267 -2.137 7.514 170 3HB ALA 20 HB3 ALA 20 -3.831 -3.679 8.156 171 HA PRO 21 HA PRO 21 -3.847 -3.783 13.550 172 1HB PRO 21 HB2 PRO 21 -3.535 -6.394 12.079 173 2HB PRO 21 HB1 PRO 21 -4.337 -6.070 13.630 174 1HG PRO 21 HG2 PRO 21 -5.740 -6.341 11.377 175 2HG PRO 21 HG1 PRO 21 -6.211 -5.178 12.628 176 1HD PRO 21 HD2 PRO 21 -5.066 -4.654 9.938 177 2HD PRO 21 HD1 PRO 21 -6.001 -3.574 10.996 178 H GLU 22 HN GLU 22 -1.926 -5.923 11.430 179 HA GLU 22 HA GLU 22 0.478 -5.281 13.027 180 1HB GLU 22 HB2 GLU 22 -0.022 -7.281 10.803 181 2HB GLU 22 HB1 GLU 22 1.503 -7.116 11.676 182 1HG GLU 22 HG2 GLU 22 0.353 -7.598 13.799 183 2HG GLU 22 HG1 GLU 22 -1.180 -7.749 12.940 184 H LYS 23 HN LYS 23 0.344 -5.902 9.531 185 HA LYS 23 HA LYS 23 1.104 -3.187 8.815 186 1HB LYS 23 HB2 LYS 23 3.225 -4.031 9.809 187 2HB LYS 23 HB1 LYS 23 3.203 -5.378 8.678 188 1HG LYS 23 HG2 LYS 23 4.695 -3.733 7.774 189 2HG LYS 23 HG1 LYS 23 3.235 -3.678 6.795 190 1HD LYS 23 HD2 LYS 23 2.496 -1.660 7.795 191 2HD LYS 23 HD1 LYS 23 3.602 -1.832 9.159 192 1HE LYS 23 HE2 LYS 23 5.520 -1.559 7.577 193 2HE LYS 23 HE1 LYS 23 4.363 -1.264 6.279 194 1HZ LYS 23 HZ1 LYS 23 5.037 0.410 8.591 195 2HZ LYS 23 HZ2 LYS 23 3.462 0.493 7.960 196 3HZ LYS 23 HZ3 LYS 23 4.796 0.853 6.972 197 H LYS 24 HN LYS 24 0.894 -6.612 7.963 198 HA LYS 24 HA LYS 24 0.726 -6.002 5.079 199 1HB LYS 24 HB2 LYS 24 0.430 -8.618 6.592 200 2HB LYS 24 HB1 LYS 24 0.491 -8.457 4.837 201 1HG LYS 24 HG2 LYS 24 2.745 -7.465 5.001 202 2HG LYS 24 HG1 LYS 24 2.688 -7.630 6.757 203 1HD LYS 24 HD2 LYS 24 2.459 -10.072 6.533 204 2HD LYS 24 HD1 LYS 24 2.501 -9.919 4.778 205 1HE LYS 24 HE2 LYS 24 4.720 -10.525 5.521 206 2HE LYS 24 HE1 LYS 24 4.761 -8.844 4.993 207 1HZ LYS 24 HZ1 LYS 24 5.639 -9.737 7.375 208 2HZ LYS 24 HZ2 LYS 24 4.081 -9.186 7.770 209 3HZ LYS 24 HZ3 LYS 24 5.200 -8.131 7.046 210 H ILE 25 HN ILE 25 -1.177 -5.988 3.902 211 HA ILE 25 HA ILE 25 -3.698 -6.841 5.241 212 HB ILE 25 HB ILE 25 -3.373 -4.382 5.612 213 1HG1 ILE 25 HG12 ILE 25 -5.656 -4.962 3.711 214 2HG1 ILE 25 HG11 ILE 25 -5.626 -5.538 5.378 215 1HG2 ILE 25 HG21 ILE 25 -2.168 -3.918 3.494 216 2HG2 ILE 25 HG22 ILE 25 -3.566 -2.865 3.702 217 3HG2 ILE 25 HG23 ILE 25 -3.650 -4.230 2.593 218 1HD1 ILE 25 HD11 ILE 25 -5.419 -3.228 6.190 219 2HD1 ILE 25 HD12 ILE 25 -6.860 -3.404 5.190 220 3HD1 ILE 25 HD13 ILE 25 -5.417 -2.635 4.529 221 H THR 26 HN THR 26 -5.412 -7.310 3.736 222 HA THR 26 HA THR 26 -4.406 -8.232 1.128 223 HB THR 26 HB THR 26 -6.635 -9.276 0.922 224 HG1 THR 26 HG1 THR 26 -8.216 -8.535 2.065 225 1HG2 THR 26 HG21 THR 26 -4.870 -10.434 2.209 226 2HG2 THR 26 HG22 THR 26 -6.471 -10.774 2.866 227 3HG2 THR 26 HG23 THR 26 -5.413 -9.619 3.676 228 H LEU 27 HN LEU 27 -5.770 -7.811 -0.847 229 HA LEU 27 HA LEU 27 -6.015 -5.024 -1.397 230 1HB LEU 27 HB2 LEU 27 -5.768 -7.015 -3.020 231 2HB LEU 27 HB1 LEU 27 -7.500 -7.249 -2.826 232 HG LEU 27 HG LEU 27 -7.893 -4.947 -3.679 233 1HD1 LEU 27 HD11 LEU 27 -6.041 -3.624 -3.228 234 2HD1 LEU 27 HD12 LEU 27 -5.718 -4.021 -4.911 235 3HD1 LEU 27 HD13 LEU 27 -4.892 -4.901 -3.626 236 1HD2 LEU 27 HD21 LEU 27 -8.064 -6.562 -5.365 237 2HD2 LEU 27 HD22 LEU 27 -6.347 -6.958 -5.307 238 3HD2 LEU 27 HD23 LEU 27 -6.878 -5.446 -6.036 239 H ASN 28 HN ASN 28 -8.488 -7.506 -0.840 240 HA ASN 28 HA ASN 28 -10.770 -5.807 -0.799 241 1HB ASN 28 HB2 ASN 28 -10.216 -8.477 0.499 242 2HB ASN 28 HB1 ASN 28 -11.794 -7.688 0.566 243 1HD2 ASN 28 HD21 ASN 28 -11.094 -10.225 -0.860 244 2HD2 ASN 28 HD22 ASN 28 -11.473 -9.954 -2.493 245 H GLY 29 HN GLY 29 -8.577 -6.822 1.811 246 1HA GLY 29 HA2 GLY 29 -10.053 -5.769 3.990 247 2HA GLY 29 HA1 GLY 29 -8.303 -5.971 3.976 248 H ILE 30 HN ILE 30 -7.705 -4.163 1.842 249 HA ILE 30 HA ILE 30 -7.543 -1.708 3.266 250 HB ILE 30 HB ILE 30 -7.294 -2.307 0.307 251 1HG1 ILE 30 HG12 ILE 30 -5.182 -1.694 2.392 252 2HG1 ILE 30 HG11 ILE 30 -5.674 -3.331 1.957 253 1HG2 ILE 30 HG21 ILE 30 -7.777 0.022 0.406 254 2HG2 ILE 30 HG22 ILE 30 -6.018 -0.071 0.343 255 3HG2 ILE 30 HG23 ILE 30 -6.830 0.235 1.878 256 1HD1 ILE 30 HD11 ILE 30 -4.534 -1.259 0.058 257 2HD1 ILE 30 HD12 ILE 30 -5.058 -2.880 -0.399 258 3HD1 ILE 30 HD13 ILE 30 -3.678 -2.670 0.679 259 H TYR 31 HN TYR 31 -9.797 -2.729 0.698 260 HA TYR 31 HA TYR 31 -11.133 -0.249 0.409 261 1HB TYR 31 HB2 TYR 31 -11.987 -3.104 -0.033 262 2HB TYR 31 HB1 TYR 31 -13.101 -1.771 -0.327 263 HD1 TYR 31 HD1 TYR 31 -10.661 -3.805 -1.836 264 HD2 TYR 31 HD2 TYR 31 -12.000 0.261 -1.682 265 HE1 TYR 31 HE1 TYR 31 -9.573 -3.368 -4.014 266 HE2 TYR 31 HE2 TYR 31 -10.913 0.704 -3.856 267 HH TYR 31 HH TYR 31 -9.706 -1.824 -5.841 268 H GLN 32 HN GLN 32 -12.000 -2.962 2.587 269 HA GLN 32 HA GLN 32 -14.371 -1.763 3.582 270 1HB GLN 32 HB2 GLN 32 -12.419 -3.682 4.863 271 2HB GLN 32 HB1 GLN 32 -13.952 -3.227 5.609 272 1HG GLN 32 HG2 GLN 32 -15.176 -4.064 3.659 273 2HG GLN 32 HG1 GLN 32 -13.657 -4.457 2.852 274 1HE2 GLN 32 HE21 GLN 32 -15.324 -6.599 3.173 275 2HE2 GLN 32 HE22 GLN 32 -14.800 -7.604 4.437 276 H PHE 33 HN PHE 33 -11.009 -1.415 4.641 277 HA PHE 33 HA PHE 33 -11.489 0.094 6.997 278 1HB PHE 33 HB2 PHE 33 -9.316 -0.889 6.410 279 2HB PHE 33 HB1 PHE 33 -9.172 0.220 5.049 280 HD1 PHE 33 HD1 PHE 33 -8.534 2.512 5.360 281 HD2 PHE 33 HD2 PHE 33 -9.236 -0.033 8.748 282 HE1 PHE 33 HE1 PHE 33 -7.493 4.204 6.844 283 HE2 PHE 33 HE2 PHE 33 -8.199 1.660 10.234 284 HZ PHE 33 HZ PHE 33 -7.325 3.777 9.281 285 H ILE 34 HN ILE 34 -11.161 1.161 3.607 286 HA ILE 34 HA ILE 34 -11.190 3.969 4.180 287 HB ILE 34 HB ILE 34 -11.906 2.401 1.697 288 1HG1 ILE 34 HG12 ILE 34 -9.528 4.177 2.307 289 2HG1 ILE 34 HG11 ILE 34 -9.528 2.437 2.598 290 1HG2 ILE 34 HG21 ILE 34 -13.099 4.442 1.417 291 2HG2 ILE 34 HG22 ILE 34 -11.568 4.706 0.585 292 3HG2 ILE 34 HG23 ILE 34 -11.825 5.384 2.192 293 1HD1 ILE 34 HD11 ILE 34 -9.945 3.826 -0.062 294 2HD1 ILE 34 HD12 ILE 34 -10.124 2.088 0.189 295 3HD1 ILE 34 HD13 ILE 34 -8.550 2.857 0.413 296 H MET 35 HN MET 35 -13.901 1.808 3.177 297 HA MET 35 HA MET 35 -15.861 3.870 3.134 298 1HB MET 35 HB2 MET 35 -16.094 0.899 3.657 299 2HB MET 35 HB1 MET 35 -17.503 1.952 3.621 300 1HG MET 35 HG2 MET 35 -17.454 1.272 1.406 301 2HG MET 35 HG1 MET 35 -16.449 2.710 1.280 302 1HE MET 35 HE1 MET 35 -16.769 -0.135 -0.379 303 2HE MET 35 HE2 MET 35 -16.614 -1.173 1.037 304 3HE MET 35 HE3 MET 35 -15.386 -1.227 -0.226 305 H ASP 36 HN ASP 36 -14.754 1.838 5.842 306 HA ASP 36 HA ASP 36 -16.723 2.830 7.693 307 1HB ASP 36 HB2 ASP 36 -14.013 1.547 8.106 308 2HB ASP 36 HB1 ASP 36 -15.103 1.956 9.433 309 H ARG 37 HN ARG 37 -13.406 3.873 6.919 310 HA ARG 37 HA ARG 37 -13.264 5.834 9.013 311 1HB ARG 37 HB2 ARG 37 -11.809 5.577 6.370 312 2HB ARG 37 HB1 ARG 37 -11.416 6.807 7.568 313 1HG ARG 37 HG2 ARG 37 -11.524 3.904 8.372 314 2HG ARG 37 HG1 ARG 37 -10.097 4.543 7.568 315 1HD ARG 37 HD2 ARG 37 -11.212 6.011 9.946 316 2HD ARG 37 HD1 ARG 37 -10.223 4.576 10.192 317 HE ARG 37 HE ARG 37 -8.724 6.088 8.438 318 1HH1 ARG 37 HH21 ARG 37 -10.325 6.642 11.438 319 2HH1 ARG 37 HH22 ARG 37 -9.164 7.798 12.000 320 1HH2 ARG 37 HH11 ARG 37 -7.192 7.592 9.155 321 2HH2 ARG 37 HH12 ARG 37 -7.389 8.335 10.707 322 H PHE 38 HN PHE 38 -14.316 6.028 5.620 323 HA PHE 38 HA PHE 38 -15.494 8.711 6.243 324 1HB PHE 38 HB2 PHE 38 -14.238 7.866 3.611 325 2HB PHE 38 HB1 PHE 38 -14.991 9.422 3.952 326 HD1 PHE 38 HD1 PHE 38 -13.857 11.114 5.238 327 HD2 PHE 38 HD2 PHE 38 -12.128 7.215 4.737 328 HE1 PHE 38 HE1 PHE 38 -11.703 11.956 6.132 329 HE2 PHE 38 HE2 PHE 38 -9.973 8.055 5.634 330 HZ PHE 38 HZ PHE 38 -9.761 10.425 6.330 331 HA PRO 39 HA PRO 39 -19.009 6.270 4.724 332 1HB PRO 39 HB2 PRO 39 -21.000 8.054 5.221 333 2HB PRO 39 HB1 PRO 39 -20.209 7.139 6.520 334 1HG PRO 39 HG2 PRO 39 -19.753 9.957 5.648 335 2HG PRO 39 HG1 PRO 39 -19.844 9.289 7.286 336 1HD PRO 39 HD2 PRO 39 -17.469 9.845 6.007 337 2HD PRO 39 HD1 PRO 39 -17.631 8.603 7.270 338 H PHE 40 HN PHE 40 -17.679 9.077 3.474 339 HA PHE 40 HA PHE 40 -19.520 9.905 1.481 340 1HB PHE 40 HB2 PHE 40 -17.665 11.317 1.910 341 2HB PHE 40 HB1 PHE 40 -16.511 10.003 1.696 342 HD1 PHE 40 HD1 PHE 40 -15.418 9.781 -0.364 343 HD2 PHE 40 HD2 PHE 40 -19.178 11.854 -0.191 344 HE1 PHE 40 HE1 PHE 40 -15.226 10.331 -2.772 345 HE2 PHE 40 HE2 PHE 40 -18.982 12.407 -2.599 346 HZ PHE 40 HZ PHE 40 -17.007 11.645 -3.891 347 H TYR 41 HN TYR 41 -16.930 7.442 1.307 348 HA TYR 41 HA TYR 41 -17.379 6.856 -1.465 349 1HB TYR 41 HB2 TYR 41 -16.060 5.248 0.729 350 2HB TYR 41 HB1 TYR 41 -16.051 4.783 -0.976 351 HD1 TYR 41 HD1 TYR 41 -14.833 6.096 -2.638 352 HD2 TYR 41 HD2 TYR 41 -14.890 7.238 1.493 353 HE1 TYR 41 HE1 TYR 41 -12.995 7.698 -3.068 354 HE2 TYR 41 HE2 TYR 41 -13.059 8.848 1.085 355 HH TYR 41 HH TYR 41 -11.097 8.970 -0.789 356 H ARG 42 HN ARG 42 -19.014 5.793 1.424 357 HA ARG 42 HA ARG 42 -20.097 3.347 0.455 358 1HB ARG 42 HB2 ARG 42 -21.231 5.408 2.368 359 2HB ARG 42 HB1 ARG 42 -21.992 3.847 2.064 360 1HG ARG 42 HG2 ARG 42 -19.953 2.693 2.794 361 2HG ARG 42 HG1 ARG 42 -19.161 4.241 3.077 362 1HD ARG 42 HD2 ARG 42 -20.847 4.821 4.761 363 2HD ARG 42 HD1 ARG 42 -21.697 3.311 4.465 364 HE ARG 42 HE ARG 42 -19.398 3.726 6.172 365 1HH1 ARG 42 HH21 ARG 42 -20.746 1.474 3.933 366 2HH1 ARG 42 HH22 ARG 42 -19.749 0.161 4.467 367 1HH2 ARG 42 HH11 ARG 42 -18.103 2.035 6.867 368 2HH2 ARG 42 HH12 ARG 42 -18.254 0.479 6.123 369 H GLU 43 HN GLU 43 -21.203 6.708 0.062 370 HA GLU 43 HA GLU 43 -23.672 6.114 -1.215 371 1HB GLU 43 HB2 GLU 43 -21.845 8.508 -1.428 372 2HB GLU 43 HB1 GLU 43 -23.438 8.441 -2.180 373 1HG GLU 43 HG2 GLU 43 -24.500 8.107 -0.015 374 2HG GLU 43 HG1 GLU 43 -22.927 8.020 0.779 375 H ASN 44 HN ASN 44 -20.455 6.554 -2.519 376 HA ASN 44 HA ASN 44 -21.438 5.618 -5.203 377 1HB ASN 44 HB2 ASN 44 -19.122 7.429 -4.467 378 2HB ASN 44 HB1 ASN 44 -19.361 6.754 -6.079 379 1HD2 ASN 44 HD21 ASN 44 -19.488 9.623 -5.390 380 2HD2 ASN 44 HD22 ASN 44 -21.063 10.139 -5.758 381 H LYS 45 HN LYS 45 -20.933 3.492 -5.410 382 HA LYS 45 HA LYS 45 -18.513 2.429 -4.058 383 1HB LYS 45 HB2 LYS 45 -20.818 1.078 -5.493 384 2HB LYS 45 HB1 LYS 45 -19.463 0.217 -4.765 385 1HG LYS 45 HG2 LYS 45 -20.012 1.200 -2.568 386 2HG LYS 45 HG1 LYS 45 -21.369 2.061 -3.294 387 1HD LYS 45 HD2 LYS 45 -22.395 -0.090 -3.935 388 2HD LYS 45 HD1 LYS 45 -21.041 -0.954 -3.206 389 1HE LYS 45 HE2 LYS 45 -21.584 0.046 -1.013 390 2HE LYS 45 HE1 LYS 45 -22.946 0.898 -1.741 391 1HZ LYS 45 HZ1 LYS 45 -23.953 -0.973 -0.925 392 2HZ LYS 45 HZ2 LYS 45 -22.611 -1.974 -1.221 393 3HZ LYS 45 HZ3 LYS 45 -23.603 -1.476 -2.507 394 H GLN 46 HN GLN 46 -19.985 1.835 -7.270 395 HA GLN 46 HA GLN 46 -17.516 0.978 -8.440 396 1HB GLN 46 HB2 GLN 46 -20.073 2.031 -9.675 397 2HB GLN 46 HB1 GLN 46 -18.732 1.383 -10.619 398 1HG GLN 46 HG2 GLN 46 -18.925 -0.772 -9.495 399 2HG GLN 46 HG1 GLN 46 -20.185 -0.138 -8.434 400 1HE2 GLN 46 HE21 GLN 46 -22.214 0.693 -9.615 401 2HE2 GLN 46 HE22 GLN 46 -22.690 -0.121 -11.027 402 H GLY 47 HN GLY 47 -16.015 2.101 -9.698 403 1HA GLY 47 HA2 GLY 47 -15.442 4.109 -11.034 404 2HA GLY 47 HA1 GLY 47 -16.326 5.082 -9.865 405 H TRP 48 HN TRP 48 -15.405 4.617 -7.472 406 HA TRP 48 HA TRP 48 -12.598 5.431 -7.634 407 1HB TRP 48 HB2 TRP 48 -12.751 5.884 -5.296 408 2HB TRP 48 HB1 TRP 48 -14.262 6.415 -6.021 409 HD1 TRP 48 HD1 TRP 48 -16.438 4.809 -5.616 410 HE1 TRP 48 HE1 TRP 48 -16.985 3.253 -3.645 411 HE3 TRP 48 HE3 TRP 48 -11.783 4.288 -3.584 412 HZ2 TRP 48 HZ2 TRP 48 -15.639 1.959 -1.475 413 HZ3 TRP 48 HZ3 TRP 48 -11.446 2.889 -1.572 414 HH2 TRP 48 HH2 TRP 48 -13.356 1.728 -0.518 415 H GLN 49 HN GLN 49 -14.208 2.452 -7.345 416 HA GLN 49 HA GLN 49 -12.334 1.058 -5.657 417 1HB GLN 49 HB2 GLN 49 -14.297 0.123 -7.765 418 2HB GLN 49 HB1 GLN 49 -13.354 -0.982 -6.766 419 1HG GLN 49 HG2 GLN 49 -14.362 -0.149 -4.748 420 2HG GLN 49 HG1 GLN 49 -15.137 1.180 -5.615 421 1HE2 GLN 49 HE21 GLN 49 -16.562 -0.890 -4.067 422 2HE2 GLN 49 HE22 GLN 49 -17.553 -1.720 -5.167 423 H ASN 50 HN ASN 50 -12.580 1.442 -9.188 424 HA ASN 50 HA ASN 50 -10.386 -0.323 -9.788 425 1HB ASN 50 HB2 ASN 50 -11.752 1.862 -11.374 426 2HB ASN 50 HB1 ASN 50 -10.459 0.861 -12.039 427 1HD2 ASN 50 HD21 ASN 50 -13.378 0.913 -12.812 428 2HD2 ASN 50 HD22 ASN 50 -13.923 -0.681 -12.601 429 H SER 51 HN SER 51 -10.562 3.198 -9.286 430 HA SER 51 HA SER 51 -7.948 3.831 -10.188 431 1HB SER 51 HB2 SER 51 -9.720 5.497 -9.598 432 2HB SER 51 HB1 SER 51 -9.442 5.135 -7.897 433 HG SER 51 HG SER 51 -7.984 6.646 -8.103 434 H ILE 52 HN ILE 52 -9.042 2.770 -6.967 435 HA ILE 52 HA ILE 52 -6.570 3.110 -5.612 436 HB ILE 52 HB ILE 52 -8.803 1.118 -5.209 437 1HG1 ILE 52 HG12 ILE 52 -9.340 3.565 -4.977 438 2HG1 ILE 52 HG11 ILE 52 -9.628 2.616 -3.528 439 1HG2 ILE 52 HG21 ILE 52 -6.985 0.127 -4.093 440 2HG2 ILE 52 HG22 ILE 52 -7.825 1.028 -2.830 441 3HG2 ILE 52 HG23 ILE 52 -6.354 1.683 -3.552 442 1HD1 ILE 52 HD11 ILE 52 -7.331 3.394 -2.712 443 2HD1 ILE 52 HD12 ILE 52 -8.573 4.630 -2.817 444 3HD1 ILE 52 HD13 ILE 52 -7.339 4.526 -4.061 445 H ARG 53 HN ARG 53 -7.832 0.168 -7.230 446 HA ARG 53 HA ARG 53 -5.525 -1.437 -6.702 447 1HB ARG 53 HB2 ARG 53 -7.279 -1.701 -9.154 448 2HB ARG 53 HB1 ARG 53 -6.436 -2.980 -8.274 449 1HG ARG 53 HG2 ARG 53 -7.858 -2.319 -6.247 450 2HG ARG 53 HG1 ARG 53 -8.817 -1.366 -7.379 451 1HD ARG 53 HD2 ARG 53 -9.128 -3.474 -8.741 452 2HD ARG 53 HD1 ARG 53 -8.408 -4.357 -7.380 453 HE ARG 53 HE ARG 53 -10.391 -2.951 -6.148 454 1HH1 ARG 53 HH21 ARG 53 -10.255 -4.872 -9.010 455 2HH1 ARG 53 HH22 ARG 53 -11.865 -5.486 -8.832 456 1HH2 ARG 53 HH11 ARG 53 -12.486 -3.747 -5.898 457 2HH2 ARG 53 HH12 ARG 53 -13.127 -4.851 -7.069 458 H HIS 54 HN HIS 54 -6.326 0.727 -9.399 459 HA HIS 54 HA HIS 54 -4.120 0.074 -11.075 460 1HB HIS 54 HB2 HIS 54 -6.058 1.493 -11.756 461 2HB HIS 54 HB1 HIS 54 -5.453 2.776 -10.709 462 HD1 HIS 54 HD1 HIS 54 -3.365 0.563 -12.980 463 HD2 HIS 54 HD2 HIS 54 -4.520 4.554 -12.646 464 HE1 HIS 54 HE1 HIS 54 -2.082 1.831 -14.759 465 H ASN 55 HN ASN 55 -4.425 2.357 -8.368 466 HA ASN 55 HA ASN 55 -1.783 3.468 -8.627 467 1HB ASN 55 HB2 ASN 55 -3.702 3.260 -6.295 468 2HB ASN 55 HB1 ASN 55 -2.141 4.073 -6.173 469 1HD2 ASN 55 HD21 ASN 55 -1.914 6.147 -7.172 470 2HD2 ASN 55 HD22 ASN 55 -3.202 6.949 -7.934 471 H LEU 56 HN LEU 56 -3.090 0.701 -6.804 472 HA LEU 56 HA LEU 56 -0.715 0.097 -5.366 473 1HB LEU 56 HB2 LEU 56 -2.966 -1.678 -6.316 474 2HB LEU 56 HB1 LEU 56 -1.655 -2.265 -5.298 475 HG LEU 56 HG LEU 56 -3.430 0.092 -4.584 476 1HD1 LEU 56 HD11 LEU 56 -4.338 -1.617 -2.870 477 2HD1 LEU 56 HD12 LEU 56 -3.637 -2.848 -3.920 478 3HD1 LEU 56 HD13 LEU 56 -4.891 -1.772 -4.535 479 1HD2 LEU 56 HD21 LEU 56 -1.517 0.355 -3.267 480 2HD2 LEU 56 HD22 LEU 56 -1.181 -1.374 -3.219 481 3HD2 LEU 56 HD23 LEU 56 -2.471 -0.700 -2.230 482 H SER 57 HN SER 57 -1.739 -0.892 -8.623 483 HA SER 57 HA SER 57 0.512 -2.659 -9.022 484 1HB SER 57 HB2 SER 57 -1.646 -2.705 -10.335 485 2HB SER 57 HB1 SER 57 -1.104 -1.246 -11.157 486 HG SER 57 HG SER 57 0.709 -3.340 -11.013 487 H LEU 58 HN LEU 58 -0.075 0.755 -9.842 488 HA LEU 58 HA LEU 58 2.335 1.093 -11.359 489 1HB LEU 58 HB2 LEU 58 0.520 3.043 -9.948 490 2HB LEU 58 HB1 LEU 58 1.912 3.562 -10.893 491 HG LEU 58 HG LEU 58 -0.282 1.779 -11.982 492 1HD1 LEU 58 HD11 LEU 58 -1.397 3.813 -11.530 493 2HD1 LEU 58 HD12 LEU 58 -0.902 3.975 -13.214 494 3HD1 LEU 58 HD13 LEU 58 0.016 4.784 -11.946 495 1HD2 LEU 58 HD21 LEU 58 2.169 3.098 -13.126 496 2HD2 LEU 58 HD22 LEU 58 0.754 2.923 -14.158 497 3HD2 LEU 58 HD23 LEU 58 1.503 1.499 -13.453 498 H ASN 59 HN ASN 59 1.650 1.663 -7.898 499 HA ASN 59 HA ASN 59 4.110 2.976 -7.333 500 1HB ASN 59 HB2 ASN 59 2.457 1.203 -5.514 501 2HB ASN 59 HB1 ASN 59 3.696 2.344 -4.987 502 1HD2 ASN 59 HD21 ASN 59 3.160 4.560 -6.634 503 2HD2 ASN 59 HD22 ASN 59 1.608 5.157 -6.295 504 H GLU 60 HN GLU 60 6.115 2.201 -7.566 505 HA GLU 60 HA GLU 60 6.622 -0.689 -7.742 506 1HB GLU 60 HB2 GLU 60 8.411 1.746 -7.968 507 2HB GLU 60 HB1 GLU 60 8.996 0.090 -8.126 508 1HG GLU 60 HG2 GLU 60 7.426 -0.292 -9.991 509 2HG GLU 60 HG1 GLU 60 6.843 1.367 -9.838 510 H CYS 61 HN CYS 61 7.131 1.941 -5.455 511 HA CYS 61 HA CYS 61 8.974 0.557 -3.736 512 1HB CYS 61 HB2 CYS 61 8.169 2.225 -2.007 513 2HB CYS 61 HB1 CYS 61 8.753 2.947 -3.506 514 HG CYS 61 HG CYS 61 6.504 4.088 -3.251 515 H PHE 62 HN PHE 62 5.751 -0.022 -4.460 516 HA PHE 62 HA PHE 62 5.058 -1.173 -1.818 517 1HB PHE 62 HB2 PHE 62 3.619 -0.661 -4.411 518 2HB PHE 62 HB1 PHE 62 2.972 -1.876 -3.312 519 HD1 PHE 62 HD1 PHE 62 4.782 1.229 -2.286 520 HD2 PHE 62 HD2 PHE 62 0.988 -0.761 -2.609 521 HE1 PHE 62 HE1 PHE 62 3.735 3.008 -0.927 522 HE2 PHE 62 HE2 PHE 62 -0.057 1.022 -1.242 523 HZ PHE 62 HZ PHE 62 1.315 2.908 -0.401 524 H VAL 63 HN VAL 63 5.102 -3.391 -1.424 525 HA VAL 63 HA VAL 63 6.033 -5.159 -3.671 526 HB VAL 63 HB VAL 63 6.753 -5.376 -0.738 527 1HG1 VAL 63 HG11 VAL 63 8.454 -6.969 -1.617 528 2HG1 VAL 63 HG12 VAL 63 7.757 -6.787 -3.227 529 3HG1 VAL 63 HG13 VAL 63 6.805 -7.510 -1.930 530 1HG2 VAL 63 HG21 VAL 63 8.971 -4.551 -1.429 531 2HG2 VAL 63 HG22 VAL 63 7.726 -3.351 -1.777 532 3HG2 VAL 63 HG23 VAL 63 8.386 -4.342 -3.079 533 H LYS 64 HN LYS 64 4.777 -6.913 -4.036 534 HA LYS 64 HA LYS 64 2.406 -7.393 -2.407 535 1HB LYS 64 HB2 LYS 64 3.603 -9.014 -4.680 536 2HB LYS 64 HB1 LYS 64 1.987 -9.229 -4.007 537 1HG LYS 64 HG2 LYS 64 1.397 -6.928 -4.670 538 2HG LYS 64 HG1 LYS 64 3.013 -6.709 -5.348 539 1HD LYS 64 HD2 LYS 64 2.613 -8.574 -6.912 540 2HD LYS 64 HD1 LYS 64 0.999 -8.795 -6.238 541 1HE LYS 64 HE2 LYS 64 0.235 -6.730 -7.093 542 2HE LYS 64 HE1 LYS 64 1.873 -6.141 -7.380 543 1HZ LYS 64 HZ1 LYS 64 0.990 -6.791 -9.459 544 2HZ LYS 64 HZ2 LYS 64 0.428 -8.273 -8.847 545 3HZ LYS 64 HZ3 LYS 64 2.096 -7.999 -9.017 546 H VAL 65 HN VAL 65 2.038 -9.251 -1.073 547 HA VAL 65 HA VAL 65 4.376 -11.044 -0.553 548 HB VAL 65 HB VAL 65 2.766 -9.729 1.648 549 1HG1 VAL 65 HG11 VAL 65 3.789 -11.821 2.313 550 2HG1 VAL 65 HG12 VAL 65 4.725 -10.501 3.013 551 3HG1 VAL 65 HG13 VAL 65 5.326 -11.348 1.586 552 1HG2 VAL 65 HG21 VAL 65 5.394 -8.941 0.377 553 2HG2 VAL 65 HG22 VAL 65 4.926 -8.418 1.995 554 3HG2 VAL 65 HG23 VAL 65 3.956 -7.944 0.601 555 HA PRO 66 HA PRO 66 0.097 -13.044 -1.376 556 1HB PRO 66 HB2 PRO 66 2.245 -15.062 -1.986 557 2HB PRO 66 HB1 PRO 66 0.668 -14.834 -2.769 558 1HG PRO 66 HG2 PRO 66 2.899 -13.867 -3.865 559 2HG PRO 66 HG1 PRO 66 1.368 -12.980 -3.955 560 1HD PRO 66 HD2 PRO 66 3.798 -12.338 -2.383 561 2HD PRO 66 HD1 PRO 66 2.468 -11.267 -2.875 562 H ARG 67 HN ARG 67 -0.794 -14.980 -0.312 563 HA ARG 67 HA ARG 67 -0.164 -15.151 2.457 564 1HB ARG 67 HB2 ARG 67 -1.556 -17.210 0.714 565 2HB ARG 67 HB1 ARG 67 -1.625 -17.130 2.473 566 1HG ARG 67 HG2 ARG 67 -2.659 -14.896 2.320 567 2HG ARG 67 HG1 ARG 67 -2.629 -15.001 0.561 568 1HD ARG 67 HD2 ARG 67 -4.831 -15.668 1.268 569 2HD ARG 67 HD1 ARG 67 -3.984 -17.139 0.789 570 HE ARG 67 HE ARG 67 -3.472 -16.972 3.492 571 1HH1 ARG 67 HH21 ARG 67 -6.269 -16.861 1.480 572 2HH1 ARG 67 HH22 ARG 67 -7.315 -17.561 2.670 573 1HH2 ARG 67 HH11 ARG 67 -4.822 -17.881 5.058 574 2HH2 ARG 67 HH12 ARG 67 -6.496 -18.139 4.698 575 H ASP 68 HN ASP 68 0.161 -17.721 3.219 576 HA ASP 68 HA ASP 68 2.938 -18.272 2.465 577 1HB ASP 68 HB2 ASP 68 1.874 -18.556 4.812 578 2HB ASP 68 HB1 ASP 68 1.203 -20.059 4.177 579 H ASP 69 HN ASP 69 3.535 -20.586 1.869 580 HA ASP 69 HA ASP 69 1.934 -21.392 -0.439 581 1HB ASP 69 HB2 ASP 69 4.474 -22.480 0.798 582 2HB ASP 69 HB1 ASP 69 3.712 -23.203 -0.619 583 H LYS 70 HN LYS 70 1.979 -22.208 2.883 584 HA LYS 70 HA LYS 70 1.272 -24.965 2.787 585 1HB LYS 70 HB2 LYS 70 0.481 -22.786 4.743 586 2HB LYS 70 HB1 LYS 70 0.161 -24.498 5.006 587 1HG LYS 70 HG2 LYS 70 2.957 -23.536 4.415 588 2HG LYS 70 HG1 LYS 70 2.310 -23.460 6.050 589 1HD LYS 70 HD2 LYS 70 1.809 -25.905 5.923 590 2HD LYS 70 HD1 LYS 70 2.588 -25.955 4.343 591 1HE LYS 70 HE2 LYS 70 4.178 -26.634 6.078 592 2HE LYS 70 HE1 LYS 70 4.681 -25.106 5.356 593 1HZ LYS 70 HZ1 LYS 70 4.523 -24.112 7.312 594 2HZ LYS 70 HZ2 LYS 70 4.219 -25.622 8.030 595 3HZ LYS 70 HZ3 LYS 70 2.926 -24.642 7.525 596 H LYS 71 HN LYS 71 -0.725 -22.034 2.545 597 HA LYS 71 HA LYS 71 -3.168 -23.638 2.256 598 1HB LYS 71 HB2 LYS 71 -2.661 -20.657 2.045 599 2HB LYS 71 HB1 LYS 71 -4.249 -21.399 1.893 600 1HG LYS 71 HG2 LYS 71 -4.310 -20.936 4.157 601 2HG LYS 71 HG1 LYS 71 -3.542 -22.514 4.238 602 1HD LYS 71 HD2 LYS 71 -2.091 -21.260 5.556 603 2HD LYS 71 HD1 LYS 71 -1.308 -21.102 3.985 604 1HE LYS 71 HE2 LYS 71 -2.596 -18.958 3.648 605 2HE LYS 71 HE1 LYS 71 -3.154 -19.100 5.314 606 1HZ LYS 71 HZ1 LYS 71 -1.190 -18.447 6.100 607 2HZ LYS 71 HZ2 LYS 71 -0.864 -17.896 4.526 608 3HZ LYS 71 HZ3 LYS 71 -0.314 -19.423 5.025 609 HA PRO 72 HA PRO 72 -3.128 -24.166 -2.196 610 1HB PRO 72 HB2 PRO 72 -5.850 -22.889 -2.118 611 2HB PRO 72 HB1 PRO 72 -5.327 -24.375 -2.939 612 1HG PRO 72 HG2 PRO 72 -6.690 -24.494 -0.677 613 2HG PRO 72 HG1 PRO 72 -5.345 -25.609 -0.983 614 1HD PRO 72 HD2 PRO 72 -5.443 -23.239 0.845 615 2HD PRO 72 HD1 PRO 72 -4.543 -24.765 1.002 616 H GLY 73 HN GLY 73 -5.077 -22.155 -3.601 617 1HA GLY 73 HA2 GLY 73 -3.172 -20.424 -4.717 618 2HA GLY 73 HA1 GLY 73 -4.899 -20.060 -4.664 619 H LYS 74 HN LYS 74 -3.497 -17.844 -4.419 620 HA LYS 74 HA LYS 74 -3.556 -17.217 -1.486 621 1HB LYS 74 HB2 LYS 74 -1.477 -16.179 -3.433 622 2HB LYS 74 HB1 LYS 74 -1.534 -15.914 -1.688 623 1HG LYS 74 HG2 LYS 74 -1.232 -18.336 -1.310 624 2HG LYS 74 HG1 LYS 74 -1.176 -18.597 -3.053 625 1HD LYS 74 HD2 LYS 74 0.810 -17.143 -3.214 626 2HD LYS 74 HD1 LYS 74 0.758 -16.876 -1.472 627 1HE LYS 74 HE2 LYS 74 2.370 -18.695 -2.355 628 2HE LYS 74 HE1 LYS 74 1.336 -19.114 -0.993 629 1HZ LYS 74 HZ1 LYS 74 1.256 -20.859 -2.607 630 2HZ LYS 74 HZ2 LYS 74 0.860 -19.769 -3.849 631 3HZ LYS 74 HZ3 LYS 74 -0.247 -20.073 -2.596 632 H GLY 75 HN GLY 75 -4.042 -14.985 -1.037 633 1HA GLY 75 HA2 GLY 75 -5.698 -13.714 -3.120 634 2HA GLY 75 HA1 GLY 75 -5.534 -13.168 -1.447 635 H SER 76 HN SER 76 -4.520 -11.206 -1.353 636 HA SER 76 HA SER 76 -1.967 -10.861 -2.763 637 1HB SER 76 HB2 SER 76 -2.839 -8.603 -3.709 638 2HB SER 76 HB1 SER 76 -3.281 -10.082 -4.557 639 HG SER 76 HG SER 76 -4.861 -8.859 -2.542 640 H TYR 77 HN TYR 77 -0.912 -10.436 -0.861 641 HA TYR 77 HA TYR 77 -2.031 -8.605 1.142 642 1HB TYR 77 HB2 TYR 77 0.599 -10.051 0.884 643 2HB TYR 77 HB1 TYR 77 0.258 -8.954 2.208 644 HD1 TYR 77 HD1 TYR 77 -2.625 -10.908 0.980 645 HD2 TYR 77 HD2 TYR 77 0.710 -10.899 3.697 646 HE1 TYR 77 HE1 TYR 77 -3.662 -12.726 2.265 647 HE2 TYR 77 HE2 TYR 77 -0.349 -12.722 4.988 648 HH TYR 77 HH TYR 77 -3.616 -13.713 4.419 649 H TRP 78 HN TRP 78 -0.810 -6.611 1.799 650 HA TRP 78 HA TRP 78 0.980 -5.514 -0.315 651 1HB TRP 78 HB2 TRP 78 -1.610 -4.270 0.632 652 2HB TRP 78 HB1 TRP 78 -0.352 -3.352 -0.199 653 HD1 TRP 78 HD1 TRP 78 -2.998 -6.015 -0.766 654 HE1 TRP 78 HE1 TRP 78 -3.190 -6.488 -3.294 655 HE3 TRP 78 HE3 TRP 78 0.999 -3.337 -2.469 656 HZ2 TRP 78 HZ2 TRP 78 -1.819 -5.820 -5.721 657 HZ3 TRP 78 HZ3 TRP 78 1.534 -3.273 -4.887 658 HH2 TRP 78 HH2 TRP 78 0.129 -4.497 -6.512 659 H THR 79 HN THR 79 2.651 -4.429 0.512 660 HA THR 79 HA THR 79 2.458 -2.997 3.069 661 HB THR 79 HB THR 79 2.979 -5.363 3.724 662 HG1 THR 79 HG1 THR 79 4.556 -4.738 5.105 663 1HG2 THR 79 HG21 THR 79 5.592 -4.893 2.266 664 2HG2 THR 79 HG22 THR 79 4.268 -5.852 1.606 665 3HG2 THR 79 HG23 THR 79 5.073 -6.362 3.090 666 H LEU 80 HN LEU 80 4.240 -1.496 3.309 667 HA LEU 80 HA LEU 80 5.322 -0.498 0.874 668 1HB LEU 80 HB2 LEU 80 6.353 -0.098 3.694 669 2HB LEU 80 HB1 LEU 80 6.770 0.903 2.305 670 HG LEU 80 HG LEU 80 3.936 0.509 3.306 671 1HD1 LEU 80 HD11 LEU 80 5.967 2.681 3.883 672 2HD1 LEU 80 HD12 LEU 80 5.152 1.637 5.048 673 3HD1 LEU 80 HD13 LEU 80 4.238 2.868 4.178 674 1HD2 LEU 80 HD21 LEU 80 5.242 2.252 1.210 675 2HD2 LEU 80 HD22 LEU 80 3.729 2.744 1.970 676 3HD2 LEU 80 HD23 LEU 80 3.807 1.238 1.063 677 H ASP 81 HN ASP 81 6.648 -2.599 3.312 678 HA ASP 81 HA ASP 81 8.573 -3.701 1.391 679 1HB ASP 81 HB2 ASP 81 10.556 -3.182 2.668 680 2HB ASP 81 HB1 ASP 81 9.673 -1.672 2.479 681 HA PRO 82 HA PRO 82 7.831 -7.236 3.972 682 1HB PRO 82 HB2 PRO 82 10.540 -8.297 4.033 683 2HB PRO 82 HB1 PRO 82 9.195 -8.793 2.997 684 1HG PRO 82 HG2 PRO 82 11.451 -7.529 2.087 685 2HG PRO 82 HG1 PRO 82 9.884 -7.482 1.264 686 1HD PRO 82 HD2 PRO 82 11.140 -5.415 3.050 687 2HD PRO 82 HD1 PRO 82 10.219 -5.194 1.541 688 H ASP 83 HN ASP 83 8.582 -8.497 6.022 689 HA ASP 83 HA ASP 83 9.271 -6.505 8.084 690 1HB ASP 83 HB2 ASP 83 8.517 -9.440 8.238 691 2HB ASP 83 HB1 ASP 83 8.915 -8.457 9.647 692 H SER 84 HN SER 84 11.432 -6.442 6.760 693 HA SER 84 HA SER 84 13.348 -8.476 6.831 694 1HB SER 84 HB2 SER 84 13.895 -6.515 5.627 695 2HB SER 84 HB1 SER 84 13.570 -5.474 7.007 696 HG SER 84 HG SER 84 15.850 -5.952 6.503 697 H TYR 85 HN TYR 85 12.231 -6.405 9.431 698 HA TYR 85 HA TYR 85 14.361 -6.932 11.280 699 1HB TYR 85 HB2 TYR 85 12.577 -5.142 11.505 700 2HB TYR 85 HB1 TYR 85 11.455 -6.419 11.974 701 HD1 TYR 85 HD1 TYR 85 11.690 -7.593 14.101 702 HD2 TYR 85 HD2 TYR 85 14.459 -4.521 12.941 703 HE1 TYR 85 HE1 TYR 85 12.566 -7.505 16.421 704 HE2 TYR 85 HE2 TYR 85 15.333 -4.432 15.259 705 HH TYR 85 HH TYR 85 14.457 -5.000 17.576 706 H ASN 86 HN ASN 86 11.728 -8.832 10.120 707 HA ASN 86 HA ASN 86 11.708 -10.689 12.385 708 1HB ASN 86 HB2 ASN 86 9.685 -10.176 10.995 709 2HB ASN 86 HB1 ASN 86 10.471 -10.995 9.643 710 1HD2 ASN 86 HD21 ASN 86 9.329 -11.556 13.007 711 2HD2 ASN 86 HD22 ASN 86 9.077 -13.223 12.807 712 H MET 87 HN MET 87 13.836 -10.227 9.917 713 HA MET 87 HA MET 87 14.264 -12.956 9.063 714 1HB MET 87 HB2 MET 87 15.793 -10.387 8.834 715 2HB MET 87 HB1 MET 87 16.623 -11.894 8.454 716 1HG MET 87 HG2 MET 87 14.697 -12.423 6.876 717 2HG MET 87 HG1 MET 87 14.136 -10.771 7.139 718 1HE MET 87 HE1 MET 87 17.256 -9.273 7.375 719 2HE MET 87 HE2 MET 87 15.569 -8.856 7.106 720 3HE MET 87 HE3 MET 87 16.763 -8.501 5.862 721 H PHE 88 HN PHE 88 15.984 -14.364 9.679 722 HA PHE 88 HA PHE 88 16.370 -14.644 12.475 723 1HB PHE 88 HB2 PHE 88 17.918 -15.777 10.131 724 2HB PHE 88 HB1 PHE 88 18.156 -16.292 11.800 725 HD1 PHE 88 HD1 PHE 88 15.815 -16.240 8.952 726 HD2 PHE 88 HD2 PHE 88 16.474 -17.601 12.973 727 HE1 PHE 88 HE1 PHE 88 13.886 -17.784 8.745 728 HE2 PHE 88 HE2 PHE 88 14.542 -19.144 12.766 729 HZ PHE 88 HZ PHE 88 13.247 -19.235 10.653 730 H GLU 89 HN GLU 89 18.569 -13.282 10.001 731 HA GLU 89 HA GLU 89 20.762 -12.867 11.790 732 1HB GLU 89 HB2 GLU 89 19.982 -11.468 9.222 733 2HB GLU 89 HB1 GLU 89 21.488 -11.143 10.083 734 1HG GLU 89 HG2 GLU 89 22.100 -13.531 9.911 735 2HG GLU 89 HG1 GLU 89 20.602 -13.848 9.034 736 H ASN 90 HN ASN 90 21.313 -11.107 13.085 737 HA ASN 90 HA ASN 90 19.523 -8.746 13.153 738 1HB ASN 90 HB2 ASN 90 18.494 -10.390 14.699 739 2HB ASN 90 HB1 ASN 90 20.015 -10.490 15.586 740 1HD2 ASN 90 HD21 ASN 90 18.881 -9.608 17.515 741 2HD2 ASN 90 HD22 ASN 90 18.535 -7.949 17.613 742 H GLY 91 HN GLY 91 20.458 -6.956 14.295 743 1HA GLY 91 HA2 GLY 91 22.205 -5.745 15.353 744 2HA GLY 91 HA1 GLY 91 23.157 -7.227 15.427 745 H SER 92 HN SER 92 23.472 -8.040 12.906 746 HA SER 92 HA SER 92 23.986 -5.899 11.022 747 1HB SER 92 HB2 SER 92 25.858 -5.567 12.653 748 2HB SER 92 HB1 SER 92 26.391 -7.213 12.326 749 HG SER 92 HG SER 92 26.799 -4.955 10.908 750 H PHE 93 HN PHE 93 23.657 -6.888 9.109 751 HA PHE 93 HA PHE 93 24.291 -9.810 8.852 752 1HB PHE 93 HB2 PHE 93 22.632 -9.670 6.930 753 2HB PHE 93 HB1 PHE 93 21.944 -9.432 8.537 754 HD1 PHE 93 HD1 PHE 93 21.634 -7.045 9.386 755 HD2 PHE 93 HD2 PHE 93 22.463 -7.973 5.275 756 HE1 PHE 93 HE1 PHE 93 20.802 -4.808 8.715 757 HE2 PHE 93 HE2 PHE 93 21.632 -5.734 4.603 758 HZ PHE 93 HZ PHE 93 20.802 -4.152 6.323 759 H LEU 94 HN LEU 94 26.454 -9.596 8.145 760 HA LEU 94 HA LEU 94 27.061 -7.829 5.866 761 1HB LEU 94 HB2 LEU 94 28.667 -9.700 7.605 762 2HB LEU 94 HB1 LEU 94 29.340 -9.110 6.088 763 HG LEU 94 HG LEU 94 28.852 -6.761 6.866 764 1HD1 LEU 94 HD11 LEU 94 27.159 -7.056 8.508 765 2HD1 LEU 94 HD12 LEU 94 28.595 -6.600 9.422 766 3HD1 LEU 94 HD13 LEU 94 28.088 -8.287 9.362 767 1HD2 LEU 94 HD21 LEU 94 30.810 -6.628 8.248 768 2HD2 LEU 94 HD22 LEU 94 31.084 -7.958 7.124 769 3HD2 LEU 94 HD23 LEU 94 30.617 -8.294 8.791 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -23.968 16.382 4.874 2 2H MET 1 HT2 MET 1 -25.268 16.190 3.796 3 3H MET 1 HT3 MET 1 -24.898 17.727 4.421 4 HA MET 1 HA MET 1 -24.085 16.827 2.025 5 1HB MET 1 HB2 MET 1 -22.798 18.823 3.909 6 2HB MET 1 HB1 MET 1 -22.385 18.685 2.199 7 1HG MET 1 HG2 MET 1 -24.727 19.123 1.587 8 2HG MET 1 HG1 MET 1 -25.156 19.259 3.292 9 1HE MET 1 HE1 MET 1 -25.464 22.913 2.206 10 2HE MET 1 HE2 MET 1 -26.242 21.453 2.811 11 3HE MET 1 HE3 MET 1 -25.763 21.549 1.118 12 H LEU 2 HN LEU 2 -22.678 15.294 1.356 13 HA LEU 2 HA LEU 2 -20.484 14.436 3.203 14 1HB LEU 2 HB2 LEU 2 -21.541 13.014 0.747 15 2HB LEU 2 HB1 LEU 2 -20.461 12.360 1.976 16 HG LEU 2 HG LEU 2 -23.356 13.175 2.351 17 1HD1 LEU 2 HD11 LEU 2 -21.914 10.513 2.488 18 2HD1 LEU 2 HD12 LEU 2 -23.101 11.009 1.283 19 3HD1 LEU 2 HD13 LEU 2 -23.596 10.758 2.957 20 1HD2 LEU 2 HD21 LEU 2 -22.362 13.772 4.402 21 2HD2 LEU 2 HD22 LEU 2 -21.190 12.455 4.326 22 3HD2 LEU 2 HD23 LEU 2 -22.881 12.112 4.690 23 H VAL 3 HN VAL 3 -18.372 14.554 2.547 24 HA VAL 3 HA VAL 3 -17.763 15.364 -0.254 25 HB VAL 3 HB VAL 3 -16.198 17.131 0.692 26 1HG1 VAL 3 HG11 VAL 3 -18.436 17.616 -0.341 27 2HG1 VAL 3 HG12 VAL 3 -17.968 18.791 0.888 28 3HG1 VAL 3 HG13 VAL 3 -19.149 17.537 1.269 29 1HG2 VAL 3 HG21 VAL 3 -16.248 16.201 3.021 30 2HG2 VAL 3 HG22 VAL 3 -17.922 16.737 3.159 31 3HG2 VAL 3 HG23 VAL 3 -16.630 17.921 2.956 32 H LYS 4 HN LYS 4 -15.639 14.792 -0.902 33 HA LYS 4 HA LYS 4 -14.466 12.569 0.519 34 1HB LYS 4 HB2 LYS 4 -13.130 14.206 -1.649 35 2HB LYS 4 HB1 LYS 4 -12.858 12.508 -1.260 36 1HG LYS 4 HG2 LYS 4 -15.416 13.692 -2.380 37 2HG LYS 4 HG1 LYS 4 -14.255 12.706 -3.266 38 1HD LYS 4 HD2 LYS 4 -14.663 10.922 -1.435 39 2HD LYS 4 HD1 LYS 4 -16.089 11.873 -1.018 40 1HE LYS 4 HE2 LYS 4 -16.863 11.699 -3.378 41 2HE LYS 4 HE1 LYS 4 -15.471 10.675 -3.735 42 1HZ LYS 4 HZ1 LYS 4 -16.492 8.927 -2.866 43 2HZ LYS 4 HZ2 LYS 4 -17.910 9.858 -2.773 44 3HZ LYS 4 HZ3 LYS 4 -16.868 9.757 -1.436 45 HA PRO 5 HA PRO 5 -11.746 14.985 3.118 46 1HB PRO 5 HB2 PRO 5 -9.901 13.172 3.828 47 2HB PRO 5 HB1 PRO 5 -11.594 12.998 4.332 48 1HG PRO 5 HG2 PRO 5 -10.171 11.686 2.050 49 2HG PRO 5 HG1 PRO 5 -11.231 10.957 3.272 50 1HD PRO 5 HD2 PRO 5 -12.127 11.641 0.778 51 2HD PRO 5 HD1 PRO 5 -13.170 11.682 2.217 52 HA PRO 6 HA PRO 6 -8.421 16.459 0.575 53 1HB PRO 6 HB2 PRO 6 -6.701 17.530 2.395 54 2HB PRO 6 HB1 PRO 6 -8.295 18.234 2.059 55 1HG PRO 6 HG2 PRO 6 -7.461 16.443 4.304 56 2HG PRO 6 HG1 PRO 6 -8.458 17.909 4.350 57 1HD PRO 6 HD2 PRO 6 -9.542 15.400 4.374 58 2HD PRO 6 HD1 PRO 6 -10.372 16.792 3.644 59 H TYR 7 HN TYR 7 -8.133 13.549 1.569 60 HA TYR 7 HA TYR 7 -5.152 13.344 1.641 61 1HB TYR 7 HB2 TYR 7 -7.241 11.172 1.998 62 2HB TYR 7 HB1 TYR 7 -5.510 11.013 2.273 63 HD1 TYR 7 HD1 TYR 7 -8.505 11.350 3.942 64 HD2 TYR 7 HD2 TYR 7 -4.575 13.087 3.864 65 HE1 TYR 7 HE1 TYR 7 -8.817 12.159 6.261 66 HE2 TYR 7 HE2 TYR 7 -4.883 13.885 6.187 67 HH TYR 7 HH TYR 7 -7.924 13.273 7.954 68 H SER 8 HN SER 8 -4.059 12.455 -0.100 69 HA SER 8 HA SER 8 -5.531 12.190 -2.607 70 1HB SER 8 HB2 SER 8 -2.627 11.774 -1.850 71 2HB SER 8 HB1 SER 8 -3.233 11.525 -3.485 72 HG SER 8 HG SER 8 -3.264 13.604 -3.738 73 H TYR 9 HN TYR 9 -5.214 10.142 -3.966 74 HA TYR 9 HA TYR 9 -6.232 7.868 -2.578 75 1HB TYR 9 HB2 TYR 9 -4.809 8.066 -5.250 76 2HB TYR 9 HB1 TYR 9 -5.628 6.614 -4.670 77 HD1 TYR 9 HD1 TYR 9 -8.092 6.624 -4.288 78 HD2 TYR 9 HD2 TYR 9 -6.049 9.971 -6.047 79 HE1 TYR 9 HE1 TYR 9 -10.257 7.523 -5.089 80 HE2 TYR 9 HE2 TYR 9 -8.219 10.870 -6.848 81 HH TYR 9 HH TYR 9 -11.232 9.049 -6.419 82 H ILE 10 HN ILE 10 -2.951 8.824 -3.484 83 HA ILE 10 HA ILE 10 -1.607 6.415 -2.750 84 HB ILE 10 HB ILE 10 -0.594 9.267 -2.510 85 1HG1 ILE 10 HG12 ILE 10 -1.405 8.924 -4.766 86 2HG1 ILE 10 HG11 ILE 10 0.353 8.837 -4.797 87 1HG2 ILE 10 HG21 ILE 10 0.906 7.763 -1.400 88 2HG2 ILE 10 HG22 ILE 10 1.616 8.107 -2.978 89 3HG2 ILE 10 HG23 ILE 10 0.779 6.580 -2.702 90 1HD1 ILE 10 HD11 ILE 10 -1.653 6.616 -5.077 91 2HD1 ILE 10 HD12 ILE 10 -0.029 6.258 -4.492 92 3HD1 ILE 10 HD13 ILE 10 -0.254 6.982 -6.083 93 H ALA 11 HN ALA 11 -2.340 9.349 -0.849 94 HA ALA 11 HA ALA 11 -1.112 8.433 1.570 95 1HB ALA 11 HB1 ALA 11 -3.464 10.334 1.340 96 2HB ALA 11 HB2 ALA 11 -1.790 10.813 1.057 97 3HB ALA 11 HB3 ALA 11 -2.287 10.248 2.651 98 H LEU 12 HN LEU 12 -4.483 8.152 0.404 99 HA LEU 12 HA LEU 12 -5.535 7.027 2.804 100 1HB LEU 12 HB2 LEU 12 -6.326 6.573 -0.089 101 2HB LEU 12 HB1 LEU 12 -7.271 6.008 1.285 102 HG LEU 12 HG LEU 12 -6.506 8.909 0.842 103 1HD1 LEU 12 HD11 LEU 12 -8.993 7.364 0.085 104 2HD1 LEU 12 HD12 LEU 12 -7.944 8.308 -0.975 105 3HD1 LEU 12 HD13 LEU 12 -8.963 9.123 0.214 106 1HD2 LEU 12 HD21 LEU 12 -8.612 9.095 2.423 107 2HD2 LEU 12 HD22 LEU 12 -7.039 8.727 3.117 108 3HD2 LEU 12 HD23 LEU 12 -8.208 7.433 2.849 109 H ILE 13 HN ILE 13 -3.908 5.535 0.027 110 HA ILE 13 HA ILE 13 -4.220 2.819 0.929 111 HB ILE 13 HB ILE 13 -2.076 4.111 -0.792 112 1HG1 ILE 13 HG12 ILE 13 -4.411 2.377 -1.632 113 2HG1 ILE 13 HG11 ILE 13 -4.504 4.138 -1.583 114 1HG2 ILE 13 HG21 ILE 13 -1.806 1.671 -1.573 115 2HG2 ILE 13 HG22 ILE 13 -2.664 1.229 -0.098 116 3HG2 ILE 13 HG23 ILE 13 -1.126 2.086 0.000 117 1HD1 ILE 13 HD11 ILE 13 -3.887 3.260 -3.844 118 2HD1 ILE 13 HD12 ILE 13 -2.418 2.580 -3.140 119 3HD1 ILE 13 HD13 ILE 13 -2.660 4.327 -3.161 120 H THR 14 HN THR 14 -1.663 5.255 1.350 121 HA THR 14 HA THR 14 0.059 3.584 2.912 122 HB THR 14 HB THR 14 -0.155 6.599 2.824 123 HG1 THR 14 HG1 THR 14 1.270 6.458 1.199 124 1HG2 THR 14 HG21 THR 14 1.119 6.095 4.750 125 2HG2 THR 14 HG22 THR 14 2.324 6.342 3.487 126 3HG2 THR 14 HG23 THR 14 1.888 4.706 3.981 127 H MET 15 HN MET 15 -2.507 5.893 3.844 128 HA MET 15 HA MET 15 -1.986 5.713 6.672 129 1HB MET 15 HB2 MET 15 -4.507 6.424 5.140 130 2HB MET 15 HB1 MET 15 -4.377 6.515 6.894 131 1HG MET 15 HG2 MET 15 -2.510 8.114 6.679 132 2HG MET 15 HG1 MET 15 -2.637 8.028 4.923 133 1HE MET 15 HE1 MET 15 -2.418 10.425 5.759 134 2HE MET 15 HE2 MET 15 -3.756 11.466 6.238 135 3HE MET 15 HE3 MET 15 -3.583 10.987 4.552 136 H ALA 16 HN ALA 16 -4.086 3.913 4.463 137 HA ALA 16 HA ALA 16 -5.474 2.365 6.392 138 1HB ALA 16 HB1 ALA 16 -5.905 0.813 4.537 139 2HB ALA 16 HB2 ALA 16 -4.613 1.565 3.599 140 3HB ALA 16 HB3 ALA 16 -6.068 2.482 3.987 141 H ILE 17 HN ILE 17 -2.475 1.572 4.600 142 HA ILE 17 HA ILE 17 -2.020 -0.956 5.825 143 HB ILE 17 HB ILE 17 0.017 1.062 4.822 144 1HG1 ILE 17 HG12 ILE 17 -1.189 -1.302 3.369 145 2HG1 ILE 17 HG11 ILE 17 -1.835 0.334 3.235 146 1HG2 ILE 17 HG21 ILE 17 1.282 -1.162 4.381 147 2HG2 ILE 17 HG22 ILE 17 0.144 -1.877 5.522 148 3HG2 ILE 17 HG23 ILE 17 1.214 -0.577 6.043 149 1HD1 ILE 17 HD11 ILE 17 -0.189 -0.264 1.417 150 2HD1 ILE 17 HD12 ILE 17 1.054 -0.378 2.661 151 3HD1 ILE 17 HD13 ILE 17 0.258 1.166 2.350 152 H GLN 18 HN GLN 18 -0.734 2.253 6.644 153 HA GLN 18 HA GLN 18 0.709 1.404 8.972 154 1HB GLN 18 HB2 GLN 18 -0.421 4.119 8.241 155 2HB GLN 18 HB1 GLN 18 0.706 3.831 9.568 156 1HG GLN 18 HG2 GLN 18 2.355 2.920 7.976 157 2HG GLN 18 HG1 GLN 18 1.230 3.210 6.648 158 1HE2 GLN 18 HE21 GLN 18 3.308 4.599 6.025 159 2HE2 GLN 18 HE22 GLN 18 3.281 6.215 6.543 160 H ASN 19 HN ASN 19 -2.596 2.671 8.574 161 HA ASN 19 HA ASN 19 -3.076 2.612 11.463 162 1HB ASN 19 HB2 ASN 19 -4.895 3.099 9.091 163 2HB ASN 19 HB1 ASN 19 -5.439 3.155 10.768 164 1HD2 ASN 19 HD21 ASN 19 -4.058 5.040 8.278 165 2HD2 ASN 19 HD22 ASN 19 -3.541 6.348 9.229 166 H ALA 20 HN ALA 20 -2.787 0.199 9.254 167 HA ALA 20 HA ALA 20 -5.107 -1.405 9.989 168 1HB ALA 20 HB1 ALA 20 -2.493 -2.173 8.636 169 2HB ALA 20 HB2 ALA 20 -3.986 -1.718 7.811 170 3HB ALA 20 HB3 ALA 20 -3.918 -3.207 8.751 171 HA PRO 21 HA PRO 21 -3.450 -3.004 13.801 172 1HB PRO 21 HB2 PRO 21 -4.378 -5.629 13.709 173 2HB PRO 21 HB1 PRO 21 -5.358 -4.238 14.208 174 1HG PRO 21 HG2 PRO 21 -5.260 -5.630 11.572 175 2HG PRO 21 HG1 PRO 21 -6.653 -4.973 12.448 176 1HD PRO 21 HD2 PRO 21 -5.549 -3.662 10.352 177 2HD PRO 21 HD1 PRO 21 -6.242 -2.785 11.735 178 H GLU 22 HN GLU 22 -3.008 -4.792 10.823 179 HA GLU 22 HA GLU 22 -0.286 -5.660 11.741 180 1HB GLU 22 HB2 GLU 22 -2.186 -7.109 9.860 181 2HB GLU 22 HB1 GLU 22 -0.548 -7.626 10.261 182 1HG GLU 22 HG2 GLU 22 -2.727 -7.226 12.326 183 2HG GLU 22 HG1 GLU 22 -2.346 -8.786 11.596 184 H LYS 23 HN LYS 23 1.364 -5.164 10.265 185 HA LYS 23 HA LYS 23 0.878 -3.120 8.342 186 1HB LYS 23 HB2 LYS 23 3.117 -3.701 9.415 187 2HB LYS 23 HB1 LYS 23 3.215 -5.056 8.294 188 1HG LYS 23 HG2 LYS 23 4.366 -3.427 7.091 189 2HG LYS 23 HG1 LYS 23 2.737 -3.201 6.468 190 1HD LYS 23 HD2 LYS 23 3.301 -1.005 6.992 191 2HD LYS 23 HD1 LYS 23 2.530 -1.496 8.496 192 1HE LYS 23 HE2 LYS 23 4.860 -2.157 9.312 193 2HE LYS 23 HE1 LYS 23 5.487 -1.311 7.899 194 1HZ LYS 23 HZ1 LYS 23 5.481 0.345 9.461 195 2HZ LYS 23 HZ2 LYS 23 4.087 -0.230 10.243 196 3HZ LYS 23 HZ3 LYS 23 3.956 0.583 8.757 197 H LYS 24 HN LYS 24 1.112 -6.644 8.023 198 HA LYS 24 HA LYS 24 0.784 -6.569 5.118 199 1HB LYS 24 HB2 LYS 24 0.564 -8.828 7.141 200 2HB LYS 24 HB1 LYS 24 0.498 -9.062 5.393 201 1HG LYS 24 HG2 LYS 24 2.742 -8.058 5.174 202 2HG LYS 24 HG1 LYS 24 2.814 -7.843 6.923 203 1HD LYS 24 HD2 LYS 24 2.603 -10.281 7.235 204 2HD LYS 24 HD1 LYS 24 2.533 -10.498 5.487 205 1HE LYS 24 HE2 LYS 24 4.822 -10.876 6.470 206 2HE LYS 24 HE1 LYS 24 4.775 -9.632 5.221 207 1HZ LYS 24 HZ1 LYS 24 4.792 -7.936 6.849 208 2HZ LYS 24 HZ2 LYS 24 6.026 -9.023 7.276 209 3HZ LYS 24 HZ3 LYS 24 4.548 -9.037 8.116 210 H ILE 25 HN ILE 25 -1.156 -6.133 4.189 211 HA ILE 25 HA ILE 25 -3.663 -7.051 5.530 212 HB ILE 25 HB ILE 25 -3.244 -4.658 6.105 213 1HG1 ILE 25 HG12 ILE 25 -5.533 -4.947 4.146 214 2HG1 ILE 25 HG11 ILE 25 -5.557 -5.660 5.759 215 1HG2 ILE 25 HG21 ILE 25 -3.639 -4.123 3.158 216 2HG2 ILE 25 HG22 ILE 25 -2.039 -4.224 3.892 217 3HG2 ILE 25 HG23 ILE 25 -3.171 -2.975 4.412 218 1HD1 ILE 25 HD11 ILE 25 -6.653 -3.387 5.608 219 2HD1 ILE 25 HD12 ILE 25 -5.062 -2.717 5.244 220 3HD1 ILE 25 HD13 ILE 25 -5.358 -3.494 6.799 221 H THR 26 HN THR 26 -5.371 -7.484 4.079 222 HA THR 26 HA THR 26 -4.523 -8.149 1.366 223 HB THR 26 HB THR 26 -6.822 -9.037 1.136 224 HG1 THR 26 HG1 THR 26 -8.196 -8.850 2.947 225 1HG2 THR 26 HG21 THR 26 -6.712 -10.619 3.128 226 2HG2 THR 26 HG22 THR 26 -5.311 -9.694 3.669 227 3HG2 THR 26 HG23 THR 26 -5.265 -10.546 2.124 228 H LEU 27 HN LEU 27 -5.713 -7.455 -0.550 229 HA LEU 27 HA LEU 27 -6.025 -4.606 -0.713 230 1HB LEU 27 HB2 LEU 27 -5.335 -6.007 -2.624 231 2HB LEU 27 HB1 LEU 27 -6.894 -6.819 -2.603 232 HG LEU 27 HG LEU 27 -8.039 -4.811 -3.291 233 1HD1 LEU 27 HD11 LEU 27 -5.395 -3.489 -2.681 234 2HD1 LEU 27 HD12 LEU 27 -7.007 -3.042 -2.116 235 3HD1 LEU 27 HD13 LEU 27 -6.547 -2.740 -3.789 236 1HD2 LEU 27 HD21 LEU 27 -5.446 -5.114 -4.829 237 2HD2 LEU 27 HD22 LEU 27 -6.928 -4.393 -5.451 238 3HD2 LEU 27 HD23 LEU 27 -6.886 -6.107 -5.049 239 H ASN 28 HN ASN 28 -8.289 -7.307 -0.491 240 HA ASN 28 HA ASN 28 -10.699 -5.779 -0.767 241 1HB ASN 28 HB2 ASN 28 -10.118 -8.432 0.565 242 2HB ASN 28 HB1 ASN 28 -11.745 -7.767 0.401 243 1HD2 ASN 28 HD21 ASN 28 -10.749 -10.224 -0.904 244 2HD2 ASN 28 HD22 ASN 28 -10.861 -9.961 -2.578 245 H GLY 29 HN GLY 29 -8.751 -6.728 2.040 246 1HA GLY 29 HA2 GLY 29 -10.524 -5.769 4.056 247 2HA GLY 29 HA1 GLY 29 -8.785 -5.973 4.258 248 H ILE 30 HN ILE 30 -7.969 -4.117 2.211 249 HA ILE 30 HA ILE 30 -7.938 -1.705 3.715 250 HB ILE 30 HB ILE 30 -7.431 -2.188 0.766 251 1HG1 ILE 30 HG12 ILE 30 -5.498 -1.656 3.040 252 2HG1 ILE 30 HG11 ILE 30 -5.933 -3.277 2.498 253 1HG2 ILE 30 HG21 ILE 30 -7.939 0.133 0.929 254 2HG2 ILE 30 HG22 ILE 30 -6.180 0.049 0.996 255 3HG2 ILE 30 HG23 ILE 30 -7.108 0.285 2.477 256 1HD1 ILE 30 HD11 ILE 30 -5.198 -2.608 0.177 257 2HD1 ILE 30 HD12 ILE 30 -3.892 -2.650 1.361 258 3HD1 ILE 30 HD13 ILE 30 -4.587 -1.107 0.869 259 H TYR 31 HN TYR 31 -10.012 -2.667 0.958 260 HA TYR 31 HA TYR 31 -11.313 -0.156 0.699 261 1HB TYR 31 HB2 TYR 31 -12.279 -2.962 0.115 262 2HB TYR 31 HB1 TYR 31 -13.262 -1.542 -0.222 263 HD1 TYR 31 HD1 TYR 31 -11.670 0.453 -1.389 264 HD2 TYR 31 HD2 TYR 31 -11.203 -3.798 -1.778 265 HE1 TYR 31 HE1 TYR 31 -10.456 0.778 -3.507 266 HE2 TYR 31 HE2 TYR 31 -9.997 -3.467 -3.912 267 HH TYR 31 HH TYR 31 -9.994 -0.506 -5.563 268 H GLN 32 HN GLN 32 -12.006 -2.897 2.837 269 HA GLN 32 HA GLN 32 -14.474 -1.924 3.870 270 1HB GLN 32 HB2 GLN 32 -13.609 -4.198 4.319 271 2HB GLN 32 HB1 GLN 32 -12.310 -3.512 5.293 272 1HG GLN 32 HG2 GLN 32 -13.976 -2.551 6.844 273 2HG GLN 32 HG1 GLN 32 -15.277 -3.238 5.871 274 1HE2 GLN 32 HE21 GLN 32 -15.173 -4.058 8.511 275 2HE2 GLN 32 HE22 GLN 32 -14.598 -5.650 8.621 276 H PHE 33 HN PHE 33 -11.113 -1.289 4.845 277 HA PHE 33 HA PHE 33 -11.697 0.285 7.143 278 1HB PHE 33 HB2 PHE 33 -9.439 -0.544 6.641 279 2HB PHE 33 HB1 PHE 33 -9.351 0.522 5.238 280 HD1 PHE 33 HD1 PHE 33 -9.351 0.348 8.914 281 HD2 PHE 33 HD2 PHE 33 -9.141 2.947 5.500 282 HE1 PHE 33 HE1 PHE 33 -8.583 2.201 10.371 283 HE2 PHE 33 HE2 PHE 33 -8.372 4.800 6.957 284 HZ PHE 33 HZ PHE 33 -8.091 4.427 9.392 285 H ILE 34 HN ILE 34 -11.167 1.318 3.750 286 HA ILE 34 HA ILE 34 -11.511 4.099 4.261 287 HB ILE 34 HB ILE 34 -11.824 2.406 1.781 288 1HG1 ILE 34 HG12 ILE 34 -9.913 4.036 1.095 289 2HG1 ILE 34 HG11 ILE 34 -9.816 4.428 2.807 290 1HG2 ILE 34 HG21 ILE 34 -11.930 4.714 0.586 291 2HG2 ILE 34 HG22 ILE 34 -12.494 5.324 2.142 292 3HG2 ILE 34 HG23 ILE 34 -13.412 4.078 1.298 293 1HD1 ILE 34 HD11 ILE 34 -9.411 2.071 3.345 294 2HD1 ILE 34 HD12 ILE 34 -8.235 2.631 2.159 295 3HD1 ILE 34 HD13 ILE 34 -9.598 1.636 1.647 296 H MET 35 HN MET 35 -13.940 1.693 3.149 297 HA MET 35 HA MET 35 -16.088 3.552 3.054 298 1HB MET 35 HB2 MET 35 -16.045 0.567 3.532 299 2HB MET 35 HB1 MET 35 -17.547 1.487 3.429 300 1HG MET 35 HG2 MET 35 -16.895 2.309 1.197 301 2HG MET 35 HG1 MET 35 -15.395 1.390 1.293 302 1HE MET 35 HE1 MET 35 -15.090 -0.933 1.263 303 2HE MET 35 HE2 MET 35 -15.452 -0.647 -0.437 304 3HE MET 35 HE3 MET 35 -16.133 -2.053 0.377 305 H ASP 36 HN ASP 36 -14.851 1.608 5.776 306 HA ASP 36 HA ASP 36 -16.940 2.490 7.583 307 1HB ASP 36 HB2 ASP 36 -14.202 1.281 8.060 308 2HB ASP 36 HB1 ASP 36 -15.334 1.654 9.361 309 H ARG 37 HN ARG 37 -13.496 3.416 7.212 310 HA ARG 37 HA ARG 37 -13.545 5.515 9.128 311 1HB ARG 37 HB2 ARG 37 -11.466 4.559 8.146 312 2HB ARG 37 HB1 ARG 37 -11.869 5.307 6.606 313 1HG ARG 37 HG2 ARG 37 -10.302 6.770 7.650 314 2HG ARG 37 HG1 ARG 37 -11.867 7.549 7.835 315 1HD ARG 37 HD2 ARG 37 -12.029 6.869 10.133 316 2HD ARG 37 HD1 ARG 37 -10.654 5.774 9.970 317 HE ARG 37 HE ARG 37 -9.612 8.258 9.327 318 1HH1 ARG 37 HH21 ARG 37 -11.420 6.900 11.930 319 2HH1 ARG 37 HH22 ARG 37 -10.740 7.953 13.126 320 1HH2 ARG 37 HH11 ARG 37 -8.714 9.639 10.873 321 2HH2 ARG 37 HH12 ARG 37 -9.207 9.504 12.527 322 H PHE 38 HN PHE 38 -13.993 5.644 5.586 323 HA PHE 38 HA PHE 38 -15.316 8.317 5.920 324 1HB PHE 38 HB2 PHE 38 -13.978 7.265 3.415 325 2HB PHE 38 HB1 PHE 38 -14.541 8.905 3.728 326 HD1 PHE 38 HD1 PHE 38 -13.414 10.272 5.548 327 HD2 PHE 38 HD2 PHE 38 -11.826 6.544 4.122 328 HE1 PHE 38 HE1 PHE 38 -11.201 10.846 6.512 329 HE2 PHE 38 HE2 PHE 38 -9.616 7.115 5.089 330 HZ PHE 38 HZ PHE 38 -9.303 9.264 6.284 331 HA PRO 39 HA PRO 39 -18.630 5.607 4.300 332 1HB PRO 39 HB2 PRO 39 -20.763 7.033 5.123 333 2HB PRO 39 HB1 PRO 39 -19.767 6.118 6.271 334 1HG PRO 39 HG2 PRO 39 -19.750 9.042 5.674 335 2HG PRO 39 HG1 PRO 39 -19.635 8.215 7.237 336 1HD PRO 39 HD2 PRO 39 -17.450 9.202 5.837 337 2HD PRO 39 HD1 PRO 39 -17.351 7.896 7.039 338 H PHE 40 HN PHE 40 -17.740 8.742 3.355 339 HA PHE 40 HA PHE 40 -19.851 9.487 1.593 340 1HB PHE 40 HB2 PHE 40 -17.004 10.044 0.816 341 2HB PHE 40 HB1 PHE 40 -18.396 11.123 0.813 342 HD1 PHE 40 HD1 PHE 40 -19.482 10.908 3.503 343 HD2 PHE 40 HD2 PHE 40 -15.379 10.955 2.226 344 HE1 PHE 40 HE1 PHE 40 -18.805 11.799 5.714 345 HE2 PHE 40 HE2 PHE 40 -14.705 11.854 4.436 346 HZ PHE 40 HZ PHE 40 -16.417 12.270 6.183 347 H TYR 41 HN TYR 41 -17.017 7.434 1.110 348 HA TYR 41 HA TYR 41 -17.302 7.033 -1.695 349 1HB TYR 41 HB2 TYR 41 -16.066 5.301 0.457 350 2HB TYR 41 HB1 TYR 41 -15.900 4.992 -1.274 351 HD1 TYR 41 HD1 TYR 41 -14.486 6.346 -2.658 352 HD2 TYR 41 HD2 TYR 41 -15.176 7.401 1.438 353 HE1 TYR 41 HE1 TYR 41 -12.665 8.016 -2.801 354 HE2 TYR 41 HE2 TYR 41 -13.362 9.086 1.321 355 HH TYR 41 HH TYR 41 -11.373 9.426 -1.618 356 H ARG 42 HN ARG 42 -19.150 5.780 0.942 357 HA ARG 42 HA ARG 42 -19.963 3.276 -0.136 358 1HB ARG 42 HB2 ARG 42 -21.463 5.292 1.566 359 2HB ARG 42 HB1 ARG 42 -22.063 3.671 1.216 360 1HG ARG 42 HG2 ARG 42 -20.143 2.662 2.298 361 2HG ARG 42 HG1 ARG 42 -19.382 4.240 2.509 362 1HD ARG 42 HD2 ARG 42 -20.398 3.642 4.615 363 2HD ARG 42 HD1 ARG 42 -21.379 4.920 3.897 364 HE ARG 42 HE ARG 42 -22.601 2.610 3.009 365 1HH1 ARG 42 HH21 ARG 42 -21.580 3.869 6.054 366 2HH1 ARG 42 HH22 ARG 42 -22.835 3.081 6.951 367 1HH2 ARG 42 HH11 ARG 42 -24.244 1.573 4.164 368 2HH2 ARG 42 HH12 ARG 42 -24.341 1.780 5.882 369 H GLU 43 HN GLU 43 -21.258 6.563 -0.599 370 HA GLU 43 HA GLU 43 -23.413 5.811 -2.312 371 1HB GLU 43 HB2 GLU 43 -23.184 8.042 -1.212 372 2HB GLU 43 HB1 GLU 43 -21.862 8.410 -2.320 373 1HG GLU 43 HG2 GLU 43 -23.335 8.228 -4.235 374 2HG GLU 43 HG1 GLU 43 -24.662 7.672 -3.212 375 H ASN 44 HN ASN 44 -20.111 6.774 -2.986 376 HA ASN 44 HA ASN 44 -20.457 6.027 -5.862 377 1HB ASN 44 HB2 ASN 44 -19.434 8.263 -5.293 378 2HB ASN 44 HB1 ASN 44 -18.091 7.391 -4.547 379 1HD2 ASN 44 HD21 ASN 44 -16.389 7.650 -6.024 380 2HD2 ASN 44 HD22 ASN 44 -16.489 7.266 -7.675 381 H LYS 45 HN LYS 45 -20.237 3.776 -5.833 382 HA LYS 45 HA LYS 45 -17.934 2.593 -4.374 383 1HB LYS 45 HB2 LYS 45 -20.179 1.299 -5.957 384 2HB LYS 45 HB1 LYS 45 -18.975 0.443 -4.995 385 1HG LYS 45 HG2 LYS 45 -19.755 1.615 -2.967 386 2HG LYS 45 HG1 LYS 45 -20.963 2.469 -3.927 387 1HD LYS 45 HD2 LYS 45 -21.999 0.318 -4.548 388 2HD LYS 45 HD1 LYS 45 -20.796 -0.542 -3.588 389 1HE LYS 45 HE2 LYS 45 -22.639 1.563 -2.431 390 2HE LYS 45 HE1 LYS 45 -23.009 -0.161 -2.414 391 1HZ LYS 45 HZ1 LYS 45 -20.721 -0.405 -1.353 392 2HZ LYS 45 HZ2 LYS 45 -21.972 0.219 -0.389 393 3HZ LYS 45 HZ3 LYS 45 -20.808 1.262 -1.056 394 H GLN 46 HN GLN 46 -19.218 2.883 -7.684 395 HA GLN 46 HA GLN 46 -16.866 1.551 -8.819 396 1HB GLN 46 HB2 GLN 46 -19.244 2.984 -10.015 397 2HB GLN 46 HB1 GLN 46 -17.913 2.387 -11.006 398 1HG GLN 46 HG2 GLN 46 -18.276 0.113 -10.175 399 2HG GLN 46 HG1 GLN 46 -19.558 0.685 -9.108 400 1HE2 GLN 46 HE21 GLN 46 -18.922 1.626 -12.523 401 2HE2 GLN 46 HE22 GLN 46 -20.425 1.094 -13.108 402 H GLY 47 HN GLY 47 -15.245 2.597 -10.048 403 1HA GLY 47 HA2 GLY 47 -14.229 4.572 -11.041 404 2HA GLY 47 HA1 GLY 47 -15.152 5.580 -9.931 405 H TRP 48 HN TRP 48 -14.573 5.255 -7.549 406 HA TRP 48 HA TRP 48 -11.733 5.607 -7.268 407 1HB TRP 48 HB2 TRP 48 -12.143 6.114 -5.020 408 2HB TRP 48 HB1 TRP 48 -13.609 6.624 -5.845 409 HD1 TRP 48 HD1 TRP 48 -15.784 4.989 -5.587 410 HE1 TRP 48 HE1 TRP 48 -16.442 3.432 -3.646 411 HE3 TRP 48 HE3 TRP 48 -11.271 4.549 -3.228 412 HZ2 TRP 48 HZ2 TRP 48 -15.227 2.170 -1.387 413 HZ3 TRP 48 HZ3 TRP 48 -11.053 3.171 -1.183 414 HH2 TRP 48 HH2 TRP 48 -13.024 1.981 -0.258 415 H GLN 49 HN GLN 49 -13.889 2.873 -6.535 416 HA GLN 49 HA GLN 49 -11.985 1.298 -5.143 417 1HB GLN 49 HB2 GLN 49 -14.318 0.489 -6.885 418 2HB GLN 49 HB1 GLN 49 -13.368 -0.664 -5.950 419 1HG GLN 49 HG2 GLN 49 -13.899 0.574 -3.879 420 2HG GLN 49 HG1 GLN 49 -14.850 1.722 -4.819 421 1HE2 GLN 49 HE21 GLN 49 -15.601 -0.824 -6.554 422 2HE2 GLN 49 HE22 GLN 49 -16.877 -1.502 -5.663 423 H ASN 50 HN ASN 50 -12.639 1.523 -8.629 424 HA ASN 50 HA ASN 50 -10.758 -0.531 -9.364 425 1HB ASN 50 HB2 ASN 50 -12.007 1.751 -10.917 426 2HB ASN 50 HB1 ASN 50 -10.953 0.545 -11.655 427 1HD2 ASN 50 HD21 ASN 50 -11.778 -1.821 -10.428 428 2HD2 ASN 50 HD22 ASN 50 -13.413 -2.118 -10.778 429 H SER 51 HN SER 51 -10.493 3.008 -9.102 430 HA SER 51 HA SER 51 -7.946 3.297 -10.301 431 1HB SER 51 HB2 SER 51 -7.804 5.418 -9.076 432 2HB SER 51 HB1 SER 51 -9.425 5.191 -9.727 433 HG SER 51 HG SER 51 -8.632 5.467 -7.175 434 H ILE 52 HN ILE 52 -8.760 2.541 -6.905 435 HA ILE 52 HA ILE 52 -6.117 2.780 -5.882 436 HB ILE 52 HB ILE 52 -8.336 0.898 -5.044 437 1HG1 ILE 52 HG12 ILE 52 -9.013 3.239 -4.917 438 2HG1 ILE 52 HG11 ILE 52 -8.768 2.604 -3.295 439 1HG2 ILE 52 HG21 ILE 52 -5.729 1.659 -3.728 440 2HG2 ILE 52 HG22 ILE 52 -6.332 0.044 -4.097 441 3HG2 ILE 52 HG23 ILE 52 -7.087 0.997 -2.818 442 1HD1 ILE 52 HD11 ILE 52 -6.321 3.575 -3.624 443 2HD1 ILE 52 HD12 ILE 52 -7.647 4.629 -3.147 444 3HD1 ILE 52 HD13 ILE 52 -7.122 4.584 -4.828 445 H ARG 53 HN ARG 53 -7.778 -0.139 -7.136 446 HA ARG 53 HA ARG 53 -5.559 -1.894 -6.803 447 1HB ARG 53 HB2 ARG 53 -7.519 -2.122 -9.100 448 2HB ARG 53 HB1 ARG 53 -6.752 -3.416 -8.173 449 1HG ARG 53 HG2 ARG 53 -7.982 -2.465 -6.134 450 2HG ARG 53 HG1 ARG 53 -8.930 -1.528 -7.284 451 1HD ARG 53 HD2 ARG 53 -9.043 -4.423 -6.667 452 2HD ARG 53 HD1 ARG 53 -10.299 -3.356 -7.298 453 HE ARG 53 HE ARG 53 -8.555 -3.653 -9.432 454 1HH1 ARG 53 HH21 ARG 53 -10.283 -5.721 -7.281 455 2HH1 ARG 53 HH22 ARG 53 -10.452 -7.003 -8.434 456 1HH2 ARG 53 HH11 ARG 53 -8.766 -5.319 -10.953 457 2HH2 ARG 53 HH12 ARG 53 -9.594 -6.775 -10.511 458 H HIS 54 HN HIS 54 -6.579 -0.020 -9.677 459 HA HIS 54 HA HIS 54 -4.391 -0.799 -11.330 460 1HB HIS 54 HB2 HIS 54 -6.058 1.735 -11.273 461 2HB HIS 54 HB1 HIS 54 -4.858 1.398 -12.522 462 HD1 HIS 54 HD1 HIS 54 -8.131 0.091 -11.144 463 HD2 HIS 54 HD2 HIS 54 -5.665 -0.478 -14.455 464 HE1 HIS 54 HE1 HIS 54 -9.427 -1.365 -12.760 465 H ASN 55 HN ASN 55 -4.787 1.808 -8.969 466 HA ASN 55 HA ASN 55 -2.279 3.097 -9.422 467 1HB ASN 55 HB2 ASN 55 -4.132 4.056 -8.052 468 2HB ASN 55 HB1 ASN 55 -3.809 2.842 -6.814 469 1HD2 ASN 55 HD21 ASN 55 -2.118 5.448 -8.645 470 2HD2 ASN 55 HD22 ASN 55 -1.076 5.868 -7.373 471 H LEU 56 HN LEU 56 -3.216 0.375 -7.324 472 HA LEU 56 HA LEU 56 -0.679 0.114 -6.040 473 1HB LEU 56 HB2 LEU 56 -2.881 -1.885 -6.541 474 2HB LEU 56 HB1 LEU 56 -1.442 -2.266 -5.600 475 HG LEU 56 HG LEU 56 -3.287 0.061 -4.986 476 1HD1 LEU 56 HD11 LEU 56 -4.124 -1.380 -3.131 477 2HD1 LEU 56 HD12 LEU 56 -3.196 -2.725 -3.797 478 3HD1 LEU 56 HD13 LEU 56 -4.521 -2.024 -4.722 479 1HD2 LEU 56 HD21 LEU 56 -0.832 -1.106 -3.701 480 2HD2 LEU 56 HD22 LEU 56 -2.079 -0.430 -2.658 481 3HD2 LEU 56 HD23 LEU 56 -1.312 0.581 -3.875 482 H SER 57 HN SER 57 -1.963 -1.333 -9.021 483 HA SER 57 HA SER 57 0.323 -3.034 -9.460 484 1HB SER 57 HB2 SER 57 -1.736 -1.939 -11.396 485 2HB SER 57 HB1 SER 57 -0.552 -3.180 -11.794 486 HG SER 57 HG SER 57 -1.463 -4.325 -9.911 487 H LEU 58 HN LEU 58 -0.572 0.169 -10.775 488 HA LEU 58 HA LEU 58 1.784 0.442 -12.387 489 1HB LEU 58 HB2 LEU 58 -0.091 2.492 -11.193 490 2HB LEU 58 HB1 LEU 58 1.200 2.901 -12.318 491 HG LEU 58 HG LEU 58 -0.866 0.799 -12.992 492 1HD1 LEU 58 HD11 LEU 58 -2.025 2.936 -12.430 493 2HD1 LEU 58 HD12 LEU 58 -2.169 2.519 -14.137 494 3HD1 LEU 58 HD13 LEU 58 -1.026 3.762 -13.626 495 1HD2 LEU 58 HD21 LEU 58 0.988 0.750 -14.503 496 2HD2 LEU 58 HD22 LEU 58 1.073 2.510 -14.576 497 3HD2 LEU 58 HD23 LEU 58 -0.268 1.659 -15.336 498 H ASN 59 HN ASN 59 1.048 1.446 -9.050 499 HA ASN 59 HA ASN 59 3.601 2.801 -8.727 500 1HB ASN 59 HB2 ASN 59 1.437 1.917 -6.812 501 2HB ASN 59 HB1 ASN 59 2.939 2.644 -6.241 502 1HD2 ASN 59 HD21 ASN 59 -0.063 3.291 -7.994 503 2HD2 ASN 59 HD22 ASN 59 0.127 4.977 -8.059 504 H GLU 60 HN GLU 60 5.495 1.744 -8.586 505 HA GLU 60 HA GLU 60 5.566 -1.100 -7.787 506 1HB GLU 60 HB2 GLU 60 7.744 0.768 -8.771 507 2HB GLU 60 HB1 GLU 60 7.929 -0.967 -8.507 508 1HG GLU 60 HG2 GLU 60 6.164 -1.411 -10.173 509 2HG GLU 60 HG1 GLU 60 5.980 0.322 -10.447 510 H CYS 61 HN CYS 61 5.646 1.821 -6.225 511 HA CYS 61 HA CYS 61 7.817 1.588 -4.398 512 1HB CYS 61 HB2 CYS 61 5.094 2.883 -4.157 513 2HB CYS 61 HB1 CYS 61 6.309 2.989 -2.883 514 HG CYS 61 HG CYS 61 7.809 3.879 -5.169 515 H PHE 62 HN PHE 62 4.519 0.275 -4.286 516 HA PHE 62 HA PHE 62 4.921 -0.906 -1.643 517 1HB PHE 62 HB2 PHE 62 2.766 -1.488 -3.700 518 2HB PHE 62 HB1 PHE 62 2.714 -1.869 -1.978 519 HD1 PHE 62 HD1 PHE 62 2.716 0.009 -0.287 520 HD2 PHE 62 HD2 PHE 62 2.231 0.692 -4.502 521 HE1 PHE 62 HE1 PHE 62 1.832 2.275 0.181 522 HE2 PHE 62 HE2 PHE 62 1.347 2.959 -4.032 523 HZ PHE 62 HZ PHE 62 1.147 3.752 -1.690 524 H VAL 63 HN VAL 63 5.075 -3.198 -1.241 525 HA VAL 63 HA VAL 63 6.243 -4.751 -3.531 526 HB VAL 63 HB VAL 63 6.642 -5.300 -0.584 527 1HG1 VAL 63 HG11 VAL 63 7.088 -7.101 -2.264 528 2HG1 VAL 63 HG12 VAL 63 8.531 -6.607 -1.383 529 3HG1 VAL 63 HG13 VAL 63 8.268 -6.041 -3.032 530 1HG2 VAL 63 HG21 VAL 63 7.484 -3.050 -0.996 531 2HG2 VAL 63 HG22 VAL 63 8.324 -3.593 -2.450 532 3HG2 VAL 63 HG23 VAL 63 8.851 -4.154 -0.862 533 H LYS 64 HN LYS 64 5.071 -6.514 -4.176 534 HA LYS 64 HA LYS 64 2.596 -7.228 -2.856 535 1HB LYS 64 HB2 LYS 64 4.233 -8.683 -4.964 536 2HB LYS 64 HB1 LYS 64 2.623 -9.174 -4.440 537 1HG LYS 64 HG2 LYS 64 1.714 -7.002 -5.172 538 2HG LYS 64 HG1 LYS 64 3.325 -6.505 -5.698 539 1HD LYS 64 HD2 LYS 64 3.402 -8.400 -7.276 540 2HD LYS 64 HD1 LYS 64 1.793 -8.902 -6.758 541 1HE LYS 64 HE2 LYS 64 1.820 -7.548 -8.885 542 2HE LYS 64 HE1 LYS 64 0.809 -6.872 -7.610 543 1HZ LYS 64 HZ1 LYS 64 2.532 -5.399 -8.892 544 2HZ LYS 64 HZ2 LYS 64 3.617 -6.046 -7.757 545 3HZ LYS 64 HZ3 LYS 64 2.259 -5.170 -7.233 546 H VAL 65 HN VAL 65 2.198 -9.064 -1.522 547 HA VAL 65 HA VAL 65 4.578 -10.678 -0.689 548 HB VAL 65 HB VAL 65 2.580 -9.512 1.263 549 1HG1 VAL 65 HG11 VAL 65 3.791 -11.636 1.861 550 2HG1 VAL 65 HG12 VAL 65 4.150 -10.287 2.937 551 3HG1 VAL 65 HG13 VAL 65 5.310 -10.757 1.694 552 1HG2 VAL 65 HG21 VAL 65 3.931 -7.720 0.198 553 2HG2 VAL 65 HG22 VAL 65 5.402 -8.586 0.641 554 3HG2 VAL 65 HG23 VAL 65 4.350 -7.933 1.897 555 HA PRO 66 HA PRO 66 0.850 -13.265 -1.872 556 1HB PRO 66 HB2 PRO 66 3.202 -15.083 -2.309 557 2HB PRO 66 HB1 PRO 66 1.752 -14.861 -3.309 558 1HG PRO 66 HG2 PRO 66 4.073 -13.797 -4.034 559 2HG PRO 66 HG1 PRO 66 2.554 -12.912 -4.269 560 1HD PRO 66 HD2 PRO 66 4.690 -12.473 -2.214 561 2HD PRO 66 HD1 PRO 66 3.639 -11.285 -3.018 562 H ARG 67 HN ARG 67 0.129 -15.291 -0.823 563 HA ARG 67 HA ARG 67 1.077 -15.465 1.957 564 1HB ARG 67 HB2 ARG 67 -1.050 -17.065 0.502 565 2HB ARG 67 HB1 ARG 67 -0.757 -17.073 2.241 566 1HG ARG 67 HG2 ARG 67 -1.280 -14.674 2.345 567 2HG ARG 67 HG1 ARG 67 -1.585 -14.662 0.607 568 1HD ARG 67 HD2 ARG 67 -3.723 -14.898 1.713 569 2HD ARG 67 HD1 ARG 67 -3.318 -16.457 0.990 570 HE ARG 67 HE ARG 67 -2.297 -16.637 3.558 571 1HH1 ARG 67 HH21 ARG 67 -5.327 -15.834 2.123 572 2HH1 ARG 67 HH22 ARG 67 -6.266 -16.455 3.441 573 1HH2 ARG 67 HH11 ARG 67 -3.506 -17.456 5.285 574 2HH2 ARG 67 HH12 ARG 67 -5.235 -17.369 5.232 575 H ASP 68 HN ASP 68 1.517 -17.711 2.868 576 HA ASP 68 HA ASP 68 3.551 -19.008 1.229 577 1HB ASP 68 HB2 ASP 68 3.883 -20.457 3.184 578 2HB ASP 68 HB1 ASP 68 3.812 -18.765 3.680 579 H ASP 69 HN ASP 69 3.514 -21.438 0.976 580 HA ASP 69 HA ASP 69 1.254 -22.257 -0.537 581 1HB ASP 69 HB2 ASP 69 3.510 -23.838 0.713 582 2HB ASP 69 HB1 ASP 69 2.304 -24.553 -0.357 583 H LYS 70 HN LYS 70 2.075 -22.846 2.877 584 HA LYS 70 HA LYS 70 0.138 -24.864 3.378 585 1HB LYS 70 HB2 LYS 70 1.273 -22.714 5.185 586 2HB LYS 70 HB1 LYS 70 0.230 -24.016 5.759 587 1HG LYS 70 HG2 LYS 70 1.818 -25.695 4.980 588 2HG LYS 70 HG1 LYS 70 2.827 -24.444 4.261 589 1HD LYS 70 HD2 LYS 70 3.783 -25.098 6.407 590 2HD LYS 70 HD1 LYS 70 3.174 -23.449 6.516 591 1HE LYS 70 HE2 LYS 70 2.613 -25.091 8.446 592 2HE LYS 70 HE1 LYS 70 1.311 -24.094 7.808 593 1HZ LYS 70 HZ1 LYS 70 0.358 -25.860 6.737 594 2HZ LYS 70 HZ2 LYS 70 0.996 -26.643 8.104 595 3HZ LYS 70 HZ3 LYS 70 1.810 -26.729 6.615 596 H LYS 71 HN LYS 71 -0.184 -21.310 3.463 597 HA LYS 71 HA LYS 71 -3.014 -21.524 4.225 598 1HB LYS 71 HB2 LYS 71 -1.321 -19.148 3.387 599 2HB LYS 71 HB1 LYS 71 -2.981 -19.030 3.957 600 1HG LYS 71 HG2 LYS 71 -0.841 -20.394 5.601 601 2HG LYS 71 HG1 LYS 71 -1.094 -18.652 5.685 602 1HD LYS 71 HD2 LYS 71 -3.560 -19.187 6.173 603 2HD LYS 71 HD1 LYS 71 -3.034 -20.852 6.426 604 1HE LYS 71 HE2 LYS 71 -2.992 -19.844 8.580 605 2HE LYS 71 HE1 LYS 71 -1.308 -19.903 8.059 606 1HZ LYS 71 HZ1 LYS 71 -2.992 -17.535 7.530 607 2HZ LYS 71 HZ2 LYS 71 -1.297 -17.648 7.569 608 3HZ LYS 71 HZ3 LYS 71 -2.190 -17.725 9.012 609 HA PRO 72 HA PRO 72 -4.582 -21.892 0.097 610 1HB PRO 72 HB2 PRO 72 -6.838 -20.253 0.235 611 2HB PRO 72 HB1 PRO 72 -6.768 -21.927 0.812 612 1HG PRO 72 HG2 PRO 72 -6.516 -19.389 2.354 613 2HG PRO 72 HG1 PRO 72 -7.340 -20.897 2.791 614 1HD PRO 72 HD2 PRO 72 -4.927 -20.264 3.824 615 2HD PRO 72 HD1 PRO 72 -5.359 -21.947 3.450 616 H GLY 73 HN GLY 73 -4.280 -20.842 -1.859 617 1HA GLY 73 HA2 GLY 73 -2.855 -18.334 -1.839 618 2HA GLY 73 HA1 GLY 73 -3.378 -19.205 -3.277 619 H LYS 74 HN LYS 74 -4.497 -16.970 -0.753 620 HA LYS 74 HA LYS 74 -6.683 -16.073 -2.612 621 1HB LYS 74 HB2 LYS 74 -6.488 -15.952 0.406 622 2HB LYS 74 HB1 LYS 74 -7.707 -15.083 -0.526 623 1HG LYS 74 HG2 LYS 74 -8.500 -17.211 -1.484 624 2HG LYS 74 HG1 LYS 74 -7.282 -18.087 -0.553 625 1HD LYS 74 HD2 LYS 74 -8.276 -17.239 1.542 626 2HD LYS 74 HD1 LYS 74 -9.494 -16.368 0.608 627 1HE LYS 74 HE2 LYS 74 -9.104 -19.356 0.365 628 2HE LYS 74 HE1 LYS 74 -10.212 -18.641 1.537 629 1HZ LYS 74 HZ1 LYS 74 -11.065 -19.289 -0.803 630 2HZ LYS 74 HZ2 LYS 74 -10.351 -17.824 -1.284 631 3HZ LYS 74 HZ3 LYS 74 -11.573 -17.829 -0.104 632 H GLY 75 HN GLY 75 -6.537 -14.071 -3.387 633 1HA GLY 75 HA2 GLY 75 -5.432 -12.048 -3.935 634 2HA GLY 75 HA1 GLY 75 -5.890 -11.687 -2.274 635 H SER 76 HN SER 76 -4.015 -10.390 -1.998 636 HA SER 76 HA SER 76 -1.639 -11.917 -1.181 637 1HB SER 76 HB2 SER 76 -1.251 -11.462 -3.612 638 2HB SER 76 HB1 SER 76 -1.430 -9.740 -3.289 639 HG SER 76 HG SER 76 0.771 -10.540 -3.279 640 H TYR 77 HN TYR 77 -0.580 -10.796 0.509 641 HA TYR 77 HA TYR 77 -1.979 -8.430 1.515 642 1HB TYR 77 HB2 TYR 77 0.647 -9.504 2.560 643 2HB TYR 77 HB1 TYR 77 -0.559 -8.555 3.419 644 HD1 TYR 77 HD1 TYR 77 0.779 -11.552 3.688 645 HD2 TYR 77 HD2 TYR 77 -3.095 -9.950 2.745 646 HE1 TYR 77 HE1 TYR 77 -0.281 -13.644 4.480 647 HE2 TYR 77 HE2 TYR 77 -4.150 -12.042 3.535 648 HH TYR 77 HH TYR 77 -3.751 -13.920 4.838 649 H TRP 78 HN TRP 78 -0.950 -6.349 1.834 650 HA TRP 78 HA TRP 78 1.244 -5.803 -0.145 651 1HB TRP 78 HB2 TRP 78 -1.179 -4.158 0.617 652 2HB TRP 78 HB1 TRP 78 0.176 -3.518 -0.315 653 HD1 TRP 78 HD1 TRP 78 -2.607 -6.162 -0.515 654 HE1 TRP 78 HE1 TRP 78 -2.951 -6.788 -2.992 655 HE3 TRP 78 HE3 TRP 78 1.226 -3.538 -2.624 656 HZ2 TRP 78 HZ2 TRP 78 -1.747 -6.248 -5.541 657 HZ3 TRP 78 HZ3 TRP 78 1.604 -3.603 -5.071 658 HH2 TRP 78 HH2 TRP 78 0.119 -4.946 -6.530 659 H THR 79 HN THR 79 2.929 -4.579 0.504 660 HA THR 79 HA THR 79 2.882 -3.283 3.191 661 HB THR 79 HB THR 79 3.878 -5.579 3.387 662 HG1 THR 79 HG1 THR 79 5.708 -4.846 4.455 663 1HG2 THR 79 HG21 THR 79 6.079 -4.494 1.621 664 2HG2 THR 79 HG22 THR 79 4.784 -5.520 1.008 665 3HG2 THR 79 HG23 THR 79 5.895 -6.140 2.230 666 H LEU 80 HN LEU 80 4.733 -1.714 3.399 667 HA LEU 80 HA LEU 80 5.301 -0.474 0.751 668 1HB LEU 80 HB2 LEU 80 5.865 0.720 3.470 669 2HB LEU 80 HB1 LEU 80 5.752 1.549 1.924 670 HG LEU 80 HG LEU 80 3.264 0.374 2.045 671 1HD1 LEU 80 HD11 LEU 80 3.557 -0.492 4.301 672 2HD1 LEU 80 HD12 LEU 80 2.412 0.850 4.351 673 3HD1 LEU 80 HD13 LEU 80 4.074 1.093 4.879 674 1HD2 LEU 80 HD21 LEU 80 3.716 2.735 1.526 675 2HD2 LEU 80 HD22 LEU 80 4.061 3.053 3.227 676 3HD2 LEU 80 HD23 LEU 80 2.431 2.599 2.727 677 H ASP 81 HN ASP 81 6.823 -2.793 2.263 678 HA ASP 81 HA ASP 81 9.504 -1.717 1.575 679 1HB ASP 81 HB2 ASP 81 8.717 -2.778 4.292 680 2HB ASP 81 HB1 ASP 81 10.392 -2.597 3.780 681 HA PRO 82 HA PRO 82 10.047 -5.933 0.216 682 1HB PRO 82 HB2 PRO 82 12.758 -6.104 0.081 683 2HB PRO 82 HB1 PRO 82 11.823 -5.084 -1.029 684 1HG PRO 82 HG2 PRO 82 13.305 -4.305 1.448 685 2HG PRO 82 HG1 PRO 82 13.286 -3.518 -0.140 686 1HD PRO 82 HD2 PRO 82 11.766 -2.630 1.943 687 2HD PRO 82 HD1 PRO 82 11.252 -2.469 0.250 688 H ASP 83 HN ASP 83 12.333 -7.571 1.005 689 HA ASP 83 HA ASP 83 11.329 -8.507 3.588 690 1HB ASP 83 HB2 ASP 83 12.135 -10.040 1.721 691 2HB ASP 83 HB1 ASP 83 13.772 -9.498 2.091 692 H SER 84 HN SER 84 11.941 -6.336 4.545 693 HA SER 84 HA SER 84 14.627 -5.499 4.885 694 1HB SER 84 HB2 SER 84 13.740 -3.967 6.406 695 2HB SER 84 HB1 SER 84 12.310 -4.397 5.476 696 HG SER 84 HG SER 84 12.000 -4.495 7.767 697 H TYR 85 HN TYR 85 15.823 -7.462 5.265 698 HA TYR 85 HA TYR 85 15.261 -9.048 7.659 699 1HB TYR 85 HB2 TYR 85 16.178 -9.987 5.499 700 2HB TYR 85 HB1 TYR 85 17.702 -9.182 5.877 701 HD1 TYR 85 HD1 TYR 85 19.162 -10.010 7.601 702 HD2 TYR 85 HD2 TYR 85 15.286 -11.749 6.999 703 HE1 TYR 85 HE1 TYR 85 19.765 -11.870 9.127 704 HE2 TYR 85 HE2 TYR 85 15.887 -13.616 8.523 705 HH TYR 85 HH TYR 85 17.864 -14.713 9.397 706 H ASN 86 HN ASN 86 17.722 -6.653 6.688 707 HA ASN 86 HA ASN 86 18.453 -6.377 9.575 708 1HB ASN 86 HB2 ASN 86 20.319 -6.847 7.250 709 2HB ASN 86 HB1 ASN 86 20.871 -6.075 8.736 710 1HD2 ASN 86 HD21 ASN 86 21.710 -8.736 7.734 711 2HD2 ASN 86 HD22 ASN 86 21.250 -9.858 8.921 712 H MET 87 HN MET 87 16.837 -4.755 7.675 713 HA MET 87 HA MET 87 18.209 -2.507 6.696 714 1HB MET 87 HB2 MET 87 16.095 -1.285 6.916 715 2HB MET 87 HB1 MET 87 15.802 -2.911 6.311 716 1HG MET 87 HG2 MET 87 15.504 -2.067 9.210 717 2HG MET 87 HG1 MET 87 14.177 -2.234 8.072 718 1HE MET 87 HE1 MET 87 15.817 -4.137 10.971 719 2HE MET 87 HE2 MET 87 14.345 -5.099 10.879 720 3HE MET 87 HE3 MET 87 14.255 -3.347 10.725 721 H PHE 88 HN PHE 88 19.006 -0.630 7.644 722 HA PHE 88 HA PHE 88 19.888 -0.749 10.339 723 1HB PHE 88 HB2 PHE 88 19.539 1.642 8.508 724 2HB PHE 88 HB1 PHE 88 20.395 1.688 10.049 725 HD1 PHE 88 HD1 PHE 88 20.456 0.418 6.593 726 HD2 PHE 88 HD2 PHE 88 22.531 0.537 10.353 727 HE1 PHE 88 HE1 PHE 88 22.496 -0.464 5.495 728 HE2 PHE 88 HE2 PHE 88 24.573 -0.344 9.254 729 HZ PHE 88 HZ PHE 88 24.555 -0.845 6.825 730 H GLU 89 HN GLU 89 18.368 2.273 9.932 731 HA GLU 89 HA GLU 89 16.362 1.548 12.028 732 1HB GLU 89 HB2 GLU 89 16.279 3.973 12.498 733 2HB GLU 89 HB1 GLU 89 17.908 3.327 12.671 734 1HG GLU 89 HG2 GLU 89 16.975 4.591 10.082 735 2HG GLU 89 HG1 GLU 89 17.654 5.549 11.391 736 H ASN 90 HN ASN 90 16.185 1.290 8.975 737 HA ASN 90 HA ASN 90 13.955 3.143 8.369 738 1HB ASN 90 HB2 ASN 90 15.244 0.959 6.701 739 2HB ASN 90 HB1 ASN 90 14.053 2.124 6.121 740 1HD2 ASN 90 HD21 ASN 90 17.244 1.607 5.876 741 2HD2 ASN 90 HD22 ASN 90 17.831 3.199 5.890 742 H GLY 91 HN GLY 91 13.655 1.057 10.458 743 1HA GLY 91 HA2 GLY 91 11.151 -0.115 9.434 744 2HA GLY 91 HA1 GLY 91 12.385 -1.273 9.931 745 H SER 92 HN SER 92 12.296 -1.889 12.034 746 HA SER 92 HA SER 92 11.418 0.044 14.101 747 1HB SER 92 HB2 SER 92 9.698 -1.371 14.972 748 2HB SER 92 HB1 SER 92 9.399 -1.266 13.239 749 HG SER 92 HG SER 92 10.997 -3.305 14.370 750 H PHE 93 HN PHE 93 12.996 -0.075 15.588 751 HA PHE 93 HA PHE 93 14.566 -2.582 15.895 752 1HB PHE 93 HB2 PHE 93 16.001 -1.105 17.367 753 2HB PHE 93 HB1 PHE 93 15.890 -0.576 15.687 754 HD1 PHE 93 HD1 PHE 93 15.002 0.181 19.159 755 HD2 PHE 93 HD2 PHE 93 14.452 1.336 15.058 756 HE1 PHE 93 HE1 PHE 93 14.082 2.365 19.895 757 HE2 PHE 93 HE2 PHE 93 13.534 3.518 15.795 758 HZ PHE 93 HZ PHE 93 13.348 4.032 18.213 759 H LEU 94 HN LEU 94 13.799 -4.003 17.382 760 HA LEU 94 HA LEU 94 11.884 -3.283 19.411 761 1HB LEU 94 HB2 LEU 94 13.625 -5.752 19.141 762 2HB LEU 94 HB1 LEU 94 12.276 -5.593 20.260 763 HG LEU 94 HG LEU 94 12.009 -5.264 17.259 764 1HD1 LEU 94 HD11 LEU 94 11.106 -7.537 17.233 765 2HD1 LEU 94 HD12 LEU 94 11.366 -7.685 18.971 766 3HD1 LEU 94 HD13 LEU 94 12.745 -7.557 17.882 767 1HD2 LEU 94 HD21 LEU 94 9.558 -5.859 17.973 768 2HD2 LEU 94 HD22 LEU 94 10.140 -4.221 18.244 769 3HD2 LEU 94 HD23 LEU 94 10.081 -5.368 19.583 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -23.963 16.499 2.863 2 2H MET 1 HT2 MET 1 -24.952 17.799 3.326 3 3H MET 1 HT3 MET 1 -24.541 16.599 4.454 4 HA MET 1 HA MET 1 -22.915 18.804 3.399 5 1HB MET 1 HB2 MET 1 -23.362 17.503 6.097 6 2HB MET 1 HB1 MET 1 -22.184 18.787 5.819 7 1HG MET 1 HG2 MET 1 -23.989 20.263 5.001 8 2HG MET 1 HG1 MET 1 -25.162 18.978 5.289 9 1HE MET 1 HE1 MET 1 -22.819 21.554 8.165 10 2HE MET 1 HE2 MET 1 -22.413 21.042 6.531 11 3HE MET 1 HE3 MET 1 -22.040 19.991 7.892 12 H LEU 2 HN LEU 2 -22.696 15.861 2.597 13 HA LEU 2 HA LEU 2 -20.234 14.906 3.804 14 1HB LEU 2 HB2 LEU 2 -21.498 14.084 1.173 15 2HB LEU 2 HB1 LEU 2 -20.309 13.170 2.103 16 HG LEU 2 HG LEU 2 -23.105 13.889 3.030 17 1HD1 LEU 2 HD11 LEU 2 -23.086 12.159 1.295 18 2HD1 LEU 2 HD12 LEU 2 -23.493 11.448 2.857 19 3HD1 LEU 2 HD13 LEU 2 -21.871 11.249 2.192 20 1HD2 LEU 2 HD21 LEU 2 -20.753 12.556 4.368 21 2HD2 LEU 2 HD22 LEU 2 -22.394 12.107 4.828 22 3HD2 LEU 2 HD23 LEU 2 -21.854 13.772 5.012 23 H VAL 3 HN VAL 3 -18.156 15.114 3.049 24 HA VAL 3 HA VAL 3 -17.684 16.564 0.486 25 HB VAL 3 HB VAL 3 -15.958 17.965 1.636 26 1HG1 VAL 3 HG11 VAL 3 -17.519 19.562 2.529 27 2HG1 VAL 3 HG12 VAL 3 -18.698 18.300 2.882 28 3HG1 VAL 3 HG13 VAL 3 -18.336 18.726 1.209 29 1HG2 VAL 3 HG21 VAL 3 -15.453 16.696 3.593 30 2HG2 VAL 3 HG22 VAL 3 -17.148 16.615 4.072 31 3HG2 VAL 3 HG23 VAL 3 -16.276 18.143 4.174 32 H LYS 4 HN LYS 4 -15.738 15.900 -0.533 33 HA LYS 4 HA LYS 4 -14.701 13.349 0.317 34 1HB LYS 4 HB2 LYS 4 -13.134 13.582 -1.556 35 2HB LYS 4 HB1 LYS 4 -14.751 14.073 -2.060 36 1HG LYS 4 HG2 LYS 4 -14.017 16.469 -1.415 37 2HG LYS 4 HG1 LYS 4 -12.377 15.824 -1.408 38 1HD LYS 4 HD2 LYS 4 -12.514 15.211 -3.724 39 2HD LYS 4 HD1 LYS 4 -14.248 15.522 -3.771 40 1HE LYS 4 HE2 LYS 4 -12.768 17.348 -4.766 41 2HE LYS 4 HE1 LYS 4 -13.938 17.875 -3.556 42 1HZ LYS 4 HZ1 LYS 4 -12.305 18.112 -1.955 43 2HZ LYS 4 HZ2 LYS 4 -11.521 18.665 -3.358 44 3HZ LYS 4 HZ3 LYS 4 -11.204 17.105 -2.762 45 HA PRO 5 HA PRO 5 -11.567 15.004 3.023 46 1HB PRO 5 HB2 PRO 5 -10.002 12.888 3.425 47 2HB PRO 5 HB1 PRO 5 -11.700 12.860 3.929 48 1HG PRO 5 HG2 PRO 5 -10.462 11.732 1.450 49 2HG PRO 5 HG1 PRO 5 -11.595 10.964 2.578 50 1HD PRO 5 HD2 PRO 5 -12.401 12.145 0.226 51 2HD PRO 5 HD1 PRO 5 -13.435 12.042 1.670 52 HA PRO 6 HA PRO 6 -8.534 16.692 0.059 53 1HB PRO 6 HB2 PRO 6 -7.047 17.004 2.657 54 2HB PRO 6 HB1 PRO 6 -7.205 18.150 1.310 55 1HG PRO 6 HG2 PRO 6 -8.676 18.426 3.497 56 2HG PRO 6 HG1 PRO 6 -9.363 18.741 1.893 57 1HD PRO 6 HD2 PRO 6 -9.866 16.446 3.730 58 2HD PRO 6 HD1 PRO 6 -10.921 17.148 2.483 59 H TYR 7 HN TYR 7 -8.019 13.932 2.101 60 HA TYR 7 HA TYR 7 -5.255 13.449 1.544 61 1HB TYR 7 HB2 TYR 7 -7.349 11.281 1.814 62 2HB TYR 7 HB1 TYR 7 -5.636 11.169 2.193 63 HD1 TYR 7 HD1 TYR 7 -8.575 11.066 3.774 64 HD2 TYR 7 HD2 TYR 7 -5.050 13.524 3.807 65 HE1 TYR 7 HE1 TYR 7 -9.081 11.749 6.086 66 HE2 TYR 7 HE2 TYR 7 -5.557 14.210 6.130 67 HH TYR 7 HH TYR 7 -7.899 14.331 7.543 68 H SER 8 HN SER 8 -4.232 12.480 -0.180 69 HA SER 8 HA SER 8 -5.726 12.335 -2.699 70 1HB SER 8 HB2 SER 8 -3.328 13.142 -2.525 71 2HB SER 8 HB1 SER 8 -2.866 11.484 -2.152 72 HG SER 8 HG SER 8 -2.728 12.047 -4.407 73 H TYR 9 HN TYR 9 -5.452 10.234 -4.044 74 HA TYR 9 HA TYR 9 -6.601 8.058 -2.610 75 1HB TYR 9 HB2 TYR 9 -5.173 8.144 -5.280 76 2HB TYR 9 HB1 TYR 9 -5.997 6.709 -4.664 77 HD1 TYR 9 HD1 TYR 9 -8.441 6.711 -4.307 78 HD2 TYR 9 HD2 TYR 9 -6.415 10.072 -6.052 79 HE1 TYR 9 HE1 TYR 9 -10.611 7.608 -5.099 80 HE2 TYR 9 HE2 TYR 9 -8.586 10.970 -6.845 81 HH TYR 9 HH TYR 9 -10.780 10.672 -6.923 82 H ILE 10 HN ILE 10 -3.247 8.746 -3.537 83 HA ILE 10 HA ILE 10 -2.122 6.265 -2.671 84 HB ILE 10 HB ILE 10 -0.880 9.036 -2.659 85 1HG1 ILE 10 HG12 ILE 10 -1.677 8.497 -4.887 86 2HG1 ILE 10 HG11 ILE 10 0.073 8.313 -4.861 87 1HG2 ILE 10 HG21 ILE 10 0.323 6.259 -2.564 88 2HG2 ILE 10 HG22 ILE 10 0.455 7.522 -1.339 89 3HG2 ILE 10 HG23 ILE 10 1.255 7.719 -2.899 90 1HD1 ILE 10 HD11 ILE 10 -0.583 6.364 -5.957 91 2HD1 ILE 10 HD12 ILE 10 -2.052 6.195 -4.999 92 3HD1 ILE 10 HD13 ILE 10 -0.487 5.798 -4.291 93 H ALA 11 HN ALA 11 -2.751 9.310 -0.939 94 HA ALA 11 HA ALA 11 -1.529 8.484 1.530 95 1HB ALA 11 HB1 ALA 11 -3.696 10.530 0.959 96 2HB ALA 11 HB2 ALA 11 -1.967 10.839 1.114 97 3HB ALA 11 HB3 ALA 11 -2.904 10.340 2.522 98 H LEU 12 HN LEU 12 -4.898 8.290 0.344 99 HA LEU 12 HA LEU 12 -6.028 7.291 2.762 100 1HB LEU 12 HB2 LEU 12 -6.792 6.832 -0.133 101 2HB LEU 12 HB1 LEU 12 -7.766 6.265 1.221 102 HG LEU 12 HG LEU 12 -6.936 9.156 0.835 103 1HD1 LEU 12 HD11 LEU 12 -8.379 8.380 -1.018 104 2HD1 LEU 12 HD12 LEU 12 -9.215 9.542 0.011 105 3HD1 LEU 12 HD13 LEU 12 -9.572 7.821 0.154 106 1HD2 LEU 12 HD21 LEU 12 -9.131 9.286 2.372 107 2HD2 LEU 12 HD22 LEU 12 -7.531 9.051 3.068 108 3HD2 LEU 12 HD23 LEU 12 -8.603 7.672 2.842 109 H ILE 13 HN ILE 13 -4.437 5.640 0.058 110 HA ILE 13 HA ILE 13 -4.892 2.964 1.043 111 HB ILE 13 HB ILE 13 -2.774 4.094 -0.813 112 1HG1 ILE 13 HG12 ILE 13 -5.257 2.478 -1.452 113 2HG1 ILE 13 HG11 ILE 13 -5.221 4.240 -1.489 114 1HG2 ILE 13 HG21 ILE 13 -1.868 2.047 -0.051 115 2HG2 ILE 13 HG22 ILE 13 -2.698 1.609 -1.544 116 3HG2 ILE 13 HG23 ILE 13 -3.450 1.269 0.014 117 1HD1 ILE 13 HD11 ILE 13 -3.353 4.137 -3.134 118 2HD1 ILE 13 HD12 ILE 13 -4.819 3.365 -3.739 119 3HD1 ILE 13 HD13 ILE 13 -3.486 2.378 -3.141 120 H THR 14 HN THR 14 -2.273 5.318 1.412 121 HA THR 14 HA THR 14 -0.448 3.641 2.822 122 HB THR 14 HB THR 14 -0.840 6.635 3.005 123 HG1 THR 14 HG1 THR 14 0.198 6.705 1.192 124 1HG2 THR 14 HG21 THR 14 1.694 6.443 3.552 125 2HG2 THR 14 HG22 THR 14 1.319 4.772 3.974 126 3HG2 THR 14 HG23 THR 14 0.531 6.098 4.832 127 H MET 15 HN MET 15 -3.080 5.725 3.964 128 HA MET 15 HA MET 15 -2.520 5.452 6.760 129 1HB MET 15 HB2 MET 15 -5.069 6.075 5.251 130 2HB MET 15 HB1 MET 15 -4.951 6.128 7.010 131 1HG MET 15 HG2 MET 15 -3.130 7.777 6.848 132 2HG MET 15 HG1 MET 15 -3.229 7.724 5.090 133 1HE MET 15 HE1 MET 15 -3.477 10.190 4.884 134 2HE MET 15 HE2 MET 15 -3.363 10.413 6.627 135 3HE MET 15 HE3 MET 15 -4.654 11.203 5.727 136 H ALA 16 HN ALA 16 -4.552 3.570 4.544 137 HA ALA 16 HA ALA 16 -5.772 1.887 6.483 138 1HB ALA 16 HB1 ALA 16 -5.805 0.236 4.462 139 2HB ALA 16 HB2 ALA 16 -5.079 1.574 3.568 140 3HB ALA 16 HB3 ALA 16 -6.667 1.767 4.308 141 H ILE 17 HN ILE 17 -2.769 1.412 4.599 142 HA ILE 17 HA ILE 17 -2.057 -1.106 5.732 143 HB ILE 17 HB ILE 17 -0.192 1.103 4.792 144 1HG1 ILE 17 HG12 ILE 17 -1.326 -1.211 3.196 145 2HG1 ILE 17 HG11 ILE 17 -2.019 0.412 3.169 146 1HG2 ILE 17 HG21 ILE 17 0.097 -1.885 5.188 147 2HG2 ILE 17 HG22 ILE 17 1.055 -0.601 5.927 148 3HG2 ILE 17 HG23 ILE 17 1.221 -0.945 4.205 149 1HD1 ILE 17 HD11 ILE 17 0.888 -0.160 2.535 150 2HD1 ILE 17 HD12 ILE 17 0.017 1.355 2.294 151 3HD1 ILE 17 HD13 ILE 17 -0.369 -0.052 1.303 152 H GLN 18 HN GLN 18 -1.048 2.188 6.601 153 HA GLN 18 HA GLN 18 0.577 1.507 8.829 154 1HB GLN 18 HB2 GLN 18 -1.031 3.996 8.216 155 2HB GLN 18 HB1 GLN 18 0.091 3.879 9.572 156 1HG GLN 18 HG2 GLN 18 1.945 3.433 8.077 157 2HG GLN 18 HG1 GLN 18 0.856 3.347 6.691 158 1HE2 GLN 18 HE21 GLN 18 3.135 5.290 7.319 159 2HE2 GLN 18 HE22 GLN 18 2.428 6.829 7.181 160 H ASN 19 HN ASN 19 -2.899 2.184 8.629 161 HA ASN 19 HA ASN 19 -3.258 1.882 11.522 162 1HB ASN 19 HB2 ASN 19 -5.190 2.179 9.209 163 2HB ASN 19 HB1 ASN 19 -5.708 2.024 10.888 164 1HD2 ASN 19 HD21 ASN 19 -4.669 4.271 8.518 165 2HD2 ASN 19 HD22 ASN 19 -4.411 5.594 9.552 166 H ALA 20 HN ALA 20 -2.655 -0.287 9.119 167 HA ALA 20 HA ALA 20 -4.609 -2.332 9.807 168 1HB ALA 20 HB1 ALA 20 -1.958 -2.770 8.413 169 2HB ALA 20 HB2 ALA 20 -3.359 -2.090 7.583 170 3HB ALA 20 HB3 ALA 20 -3.439 -3.718 8.259 171 HA PRO 21 HA PRO 21 -2.545 -3.470 13.697 172 1HB PRO 21 HB2 PRO 21 -3.560 -6.172 12.836 173 2HB PRO 21 HB1 PRO 21 -3.630 -5.404 14.436 174 1HG PRO 21 HG2 PRO 21 -5.767 -5.479 12.839 175 2HG PRO 21 HG1 PRO 21 -5.428 -4.078 13.870 176 1HD PRO 21 HD2 PRO 21 -5.190 -4.323 10.912 177 2HD PRO 21 HD1 PRO 21 -5.433 -2.871 11.907 178 H GLU 22 HN GLU 22 -2.343 -5.668 10.905 179 HA GLU 22 HA GLU 22 0.548 -6.163 11.507 180 1HB GLU 22 HB2 GLU 22 -1.278 -7.652 9.591 181 2HB GLU 22 HB1 GLU 22 0.333 -8.139 10.116 182 1HG GLU 22 HG2 GLU 22 -2.128 -7.905 11.872 183 2HG GLU 22 HG1 GLU 22 -1.346 -9.402 11.366 184 H LYS 23 HN LYS 23 2.073 -5.582 9.920 185 HA LYS 23 HA LYS 23 1.393 -3.460 8.151 186 1HB LYS 23 HB2 LYS 23 3.768 -5.343 8.004 187 2HB LYS 23 HB1 LYS 23 3.642 -3.791 7.183 188 1HG LYS 23 HG2 LYS 23 3.442 -4.103 10.189 189 2HG LYS 23 HG1 LYS 23 4.948 -3.737 9.351 190 1HD LYS 23 HD2 LYS 23 3.663 -1.751 8.300 191 2HD LYS 23 HD1 LYS 23 2.459 -2.035 9.557 192 1HE LYS 23 HE2 LYS 23 4.009 -0.376 10.382 193 2HE LYS 23 HE1 LYS 23 4.294 -1.875 11.264 194 1HZ LYS 23 HZ1 LYS 23 5.810 -1.430 8.805 195 2HZ LYS 23 HZ2 LYS 23 6.271 -2.221 10.237 196 3HZ LYS 23 HZ3 LYS 23 6.249 -0.523 10.169 197 H LYS 24 HN LYS 24 1.635 -6.963 7.575 198 HA LYS 24 HA LYS 24 1.145 -6.634 4.710 199 1HB LYS 24 HB2 LYS 24 0.883 -9.101 6.464 200 2HB LYS 24 HB1 LYS 24 0.882 -9.089 4.701 201 1HG LYS 24 HG2 LYS 24 3.165 -8.151 4.705 202 2HG LYS 24 HG1 LYS 24 3.167 -8.170 6.468 203 1HD LYS 24 HD2 LYS 24 2.824 -10.630 6.427 204 2HD LYS 24 HD1 LYS 24 2.894 -10.593 4.665 205 1HE LYS 24 HE2 LYS 24 5.096 -11.174 5.374 206 2HE LYS 24 HE1 LYS 24 5.183 -9.471 4.926 207 1HZ LYS 24 HZ1 LYS 24 6.115 -10.322 7.206 208 2HZ LYS 24 HZ2 LYS 24 4.496 -10.149 7.690 209 3HZ LYS 24 HZ3 LYS 24 5.351 -8.812 7.086 210 H ILE 25 HN ILE 25 -0.857 -6.350 3.814 211 HA ILE 25 HA ILE 25 -3.269 -7.223 5.347 212 HB ILE 25 HB ILE 25 -2.886 -4.802 5.793 213 1HG1 ILE 25 HG12 ILE 25 -5.239 -5.224 3.932 214 2HG1 ILE 25 HG11 ILE 25 -5.188 -5.865 5.575 215 1HG2 ILE 25 HG21 ILE 25 -2.963 -3.193 4.002 216 2HG2 ILE 25 HG22 ILE 25 -3.348 -4.443 2.819 217 3HG2 ILE 25 HG23 ILE 25 -1.751 -4.396 3.564 218 1HD1 ILE 25 HD11 ILE 25 -6.341 -3.615 5.333 219 2HD1 ILE 25 HD12 ILE 25 -4.762 -2.937 4.936 220 3HD1 ILE 25 HD13 ILE 25 -5.037 -3.665 6.520 221 H THR 26 HN THR 26 -5.087 -7.660 4.004 222 HA THR 26 HA THR 26 -4.345 -8.464 1.290 223 HB THR 26 HB THR 26 -6.618 -9.418 1.216 224 HG1 THR 26 HG1 THR 26 -8.029 -9.032 2.841 225 1HG2 THR 26 HG21 THR 26 -5.427 -9.964 3.939 226 2HG2 THR 26 HG22 THR 26 -4.641 -10.506 2.455 227 3HG2 THR 26 HG23 THR 26 -6.255 -11.093 2.866 228 H LEU 27 HN LEU 27 -5.534 -7.793 -0.602 229 HA LEU 27 HA LEU 27 -5.758 -4.984 -0.928 230 1HB LEU 27 HB2 LEU 27 -5.360 -6.664 -2.735 231 2HB LEU 27 HB1 LEU 27 -7.034 -7.183 -2.580 232 HG LEU 27 HG LEU 27 -7.762 -4.857 -3.134 233 1HD1 LEU 27 HD11 LEU 27 -5.589 -3.725 -4.425 234 2HD1 LEU 27 HD12 LEU 27 -4.838 -4.407 -2.991 235 3HD1 LEU 27 HD13 LEU 27 -6.167 -3.263 -2.829 236 1HD2 LEU 27 HD21 LEU 27 -5.933 -6.140 -5.184 237 2HD2 LEU 27 HD22 LEU 27 -7.306 -5.084 -5.521 238 3HD2 LEU 27 HD23 LEU 27 -7.572 -6.682 -4.823 239 H ASN 28 HN ASN 28 -8.314 -7.448 -0.613 240 HA ASN 28 HA ASN 28 -10.536 -5.691 -0.781 241 1HB ASN 28 HB2 ASN 28 -10.224 -8.314 0.701 242 2HB ASN 28 HB1 ASN 28 -11.767 -7.496 0.446 243 1HD2 ASN 28 HD21 ASN 28 -10.172 -10.032 -0.767 244 2HD2 ASN 28 HD22 ASN 28 -10.578 -9.916 -2.413 245 H GLY 29 HN GLY 29 -8.605 -6.698 2.029 246 1HA GLY 29 HA2 GLY 29 -10.217 -5.562 4.056 247 2HA GLY 29 HA1 GLY 29 -8.471 -5.770 4.178 248 H ILE 30 HN ILE 30 -7.726 -4.038 2.023 249 HA ILE 30 HA ILE 30 -7.615 -1.541 3.368 250 HB ILE 30 HB ILE 30 -7.238 -2.196 0.434 251 1HG1 ILE 30 HG12 ILE 30 -5.198 -1.667 2.613 252 2HG1 ILE 30 HG11 ILE 30 -5.733 -3.287 2.164 253 1HG2 ILE 30 HG21 ILE 30 -7.640 0.159 0.538 254 2HG2 ILE 30 HG22 ILE 30 -5.885 -0.016 0.520 255 3HG2 ILE 30 HG23 ILE 30 -6.722 0.322 2.035 256 1HD1 ILE 30 HD11 ILE 30 -5.012 -2.858 -0.171 257 2HD1 ILE 30 HD12 ILE 30 -3.668 -2.724 0.964 258 3HD1 ILE 30 HD13 ILE 30 -4.425 -1.267 0.317 259 H TYR 31 HN TYR 31 -9.789 -2.604 0.728 260 HA TYR 31 HA TYR 31 -11.047 -0.085 0.325 261 1HB TYR 31 HB2 TYR 31 -11.975 -2.928 -0.064 262 2HB TYR 31 HB1 TYR 31 -13.051 -1.574 -0.404 263 HD1 TYR 31 HD1 TYR 31 -12.244 0.245 -2.007 264 HD2 TYR 31 HD2 TYR 31 -10.317 -3.567 -1.633 265 HE1 TYR 31 HE1 TYR 31 -11.164 0.573 -4.210 266 HE2 TYR 31 HE2 TYR 31 -9.245 -3.242 -3.843 267 HH TYR 31 HH TYR 31 -10.095 -1.565 -6.062 268 H GLN 32 HN GLN 32 -11.857 -2.680 2.622 269 HA GLN 32 HA GLN 32 -14.272 -1.552 3.609 270 1HB GLN 32 HB2 GLN 32 -13.525 -3.856 4.113 271 2HB GLN 32 HB1 GLN 32 -12.223 -3.211 5.110 272 1HG GLN 32 HG2 GLN 32 -13.877 -2.133 6.591 273 2HG GLN 32 HG1 GLN 32 -15.186 -2.760 5.589 274 1HE2 GLN 32 HE21 GLN 32 -15.984 -4.010 7.460 275 2HE2 GLN 32 HE22 GLN 32 -15.191 -5.432 7.947 276 H PHE 33 HN PHE 33 -10.910 -0.998 4.569 277 HA PHE 33 HA PHE 33 -11.386 0.523 6.908 278 1HB PHE 33 HB2 PHE 33 -9.189 -0.399 6.076 279 2HB PHE 33 HB1 PHE 33 -9.138 0.930 4.921 280 HD1 PHE 33 HD1 PHE 33 -8.994 0.004 8.481 281 HD2 PHE 33 HD2 PHE 33 -8.718 3.220 5.646 282 HE1 PHE 33 HE1 PHE 33 -7.999 1.453 10.227 283 HE2 PHE 33 HE2 PHE 33 -7.722 4.672 7.398 284 HZ PHE 33 HZ PHE 33 -7.364 3.786 9.686 285 H ILE 34 HN ILE 34 -10.926 1.701 3.548 286 HA ILE 34 HA ILE 34 -11.229 4.468 4.138 287 HB ILE 34 HB ILE 34 -11.871 2.895 1.627 288 1HG1 ILE 34 HG12 ILE 34 -9.516 4.692 2.263 289 2HG1 ILE 34 HG11 ILE 34 -9.493 2.950 2.540 290 1HG2 ILE 34 HG21 ILE 34 -11.768 5.874 2.159 291 2HG2 ILE 34 HG22 ILE 34 -13.090 4.950 1.446 292 3HG2 ILE 34 HG23 ILE 34 -11.596 5.191 0.542 293 1HD1 ILE 34 HD11 ILE 34 -10.213 4.135 -0.145 294 2HD1 ILE 34 HD12 ILE 34 -9.753 2.472 0.225 295 3HD1 ILE 34 HD13 ILE 34 -8.548 3.757 0.297 296 H MET 35 HN MET 35 -13.733 2.129 3.037 297 HA MET 35 HA MET 35 -15.887 3.984 3.066 298 1HB MET 35 HB2 MET 35 -15.793 0.987 3.417 299 2HB MET 35 HB1 MET 35 -17.314 1.880 3.434 300 1HG MET 35 HG2 MET 35 -16.736 2.844 1.208 301 2HG MET 35 HG1 MET 35 -15.277 1.855 1.188 302 1HE MET 35 HE1 MET 35 -15.231 -0.388 -0.011 303 2HE MET 35 HE2 MET 35 -16.286 -1.650 0.619 304 3HE MET 35 HE3 MET 35 -15.343 -0.663 1.733 305 H ASP 36 HN ASP 36 -14.592 1.937 5.687 306 HA ASP 36 HA ASP 36 -16.633 2.490 7.590 307 1HB ASP 36 HB2 ASP 36 -13.711 1.788 7.887 308 2HB ASP 36 HB1 ASP 36 -14.753 2.030 9.287 309 H ARG 37 HN ARG 37 -13.571 4.249 6.973 310 HA ARG 37 HA ARG 37 -14.022 6.154 9.077 311 1HB ARG 37 HB2 ARG 37 -12.242 6.120 6.646 312 2HB ARG 37 HB1 ARG 37 -12.344 7.556 7.662 313 1HG ARG 37 HG2 ARG 37 -11.727 6.197 9.632 314 2HG ARG 37 HG1 ARG 37 -11.592 4.774 8.602 315 1HD ARG 37 HD2 ARG 37 -9.793 5.747 7.348 316 2HD ARG 37 HD1 ARG 37 -10.016 7.314 8.108 317 HE ARG 37 HE ARG 37 -8.420 5.117 9.081 318 1HH1 ARG 37 HH21 ARG 37 -10.604 7.555 10.188 319 2HH1 ARG 37 HH22 ARG 37 -10.073 7.448 11.832 320 1HH2 ARG 37 HH11 ARG 37 -7.725 4.988 11.206 321 2HH2 ARG 37 HH12 ARG 37 -8.451 6.003 12.409 322 H PHE 38 HN PHE 38 -14.596 6.401 5.542 323 HA PHE 38 HA PHE 38 -16.380 8.742 6.129 324 1HB PHE 38 HB2 PHE 38 -14.702 8.230 3.657 325 2HB PHE 38 HB1 PHE 38 -15.743 9.625 3.932 326 HD1 PHE 38 HD1 PHE 38 -12.468 8.278 4.378 327 HD2 PHE 38 HD2 PHE 38 -15.304 11.011 6.095 328 HE1 PHE 38 HE1 PHE 38 -10.633 9.403 5.614 329 HE2 PHE 38 HE2 PHE 38 -13.472 12.136 7.329 330 HZ PHE 38 HZ PHE 38 -11.139 11.333 7.091 331 HA PRO 39 HA PRO 39 -19.313 5.950 4.064 332 1HB PRO 39 HB2 PRO 39 -21.585 7.344 4.481 333 2HB PRO 39 HB1 PRO 39 -20.757 6.519 5.817 334 1HG PRO 39 HG2 PRO 39 -20.695 9.407 5.057 335 2HG PRO 39 HG1 PRO 39 -20.840 8.674 6.664 336 1HD PRO 39 HD2 PRO 39 -18.462 9.632 5.639 337 2HD PRO 39 HD1 PRO 39 -18.555 8.348 6.863 338 H PHE 40 HN PHE 40 -18.282 9.001 3.183 339 HA PHE 40 HA PHE 40 -20.018 9.775 1.070 340 1HB PHE 40 HB2 PHE 40 -18.403 11.352 1.810 341 2HB PHE 40 HB1 PHE 40 -17.082 10.201 1.639 342 HD1 PHE 40 HD1 PHE 40 -15.843 10.072 -0.368 343 HD2 PHE 40 HD2 PHE 40 -19.616 12.133 -0.315 344 HE1 PHE 40 HE1 PHE 40 -15.432 10.892 -2.674 345 HE2 PHE 40 HE2 PHE 40 -19.201 12.955 -2.618 346 HZ PHE 40 HZ PHE 40 -17.109 12.335 -3.797 347 H TYR 41 HN TYR 41 -17.225 7.589 1.129 348 HA TYR 41 HA TYR 41 -17.200 7.101 -1.714 349 1HB TYR 41 HB2 TYR 41 -16.081 5.575 0.649 350 2HB TYR 41 HB1 TYR 41 -15.798 5.106 -1.032 351 HD1 TYR 41 HD1 TYR 41 -14.363 6.409 -2.472 352 HD2 TYR 41 HD2 TYR 41 -15.280 7.739 1.491 353 HE1 TYR 41 HE1 TYR 41 -12.608 8.138 -2.666 354 HE2 TYR 41 HE2 TYR 41 -13.529 9.476 1.325 355 HH TYR 41 HH TYR 41 -12.066 10.331 -1.626 356 H ARG 42 HN ARG 42 -18.914 5.652 0.997 357 HA ARG 42 HA ARG 42 -19.738 3.247 -0.269 358 1HB ARG 42 HB2 ARG 42 -21.095 4.962 1.829 359 2HB ARG 42 HB1 ARG 42 -21.703 3.383 1.331 360 1HG ARG 42 HG2 ARG 42 -19.576 2.338 1.982 361 2HG ARG 42 HG1 ARG 42 -18.931 3.911 2.447 362 1HD ARG 42 HD2 ARG 42 -19.711 2.812 4.454 363 2HD ARG 42 HD1 ARG 42 -20.827 4.126 4.087 364 HE ARG 42 HE ARG 42 -21.976 1.949 2.834 365 1HH1 ARG 42 HH21 ARG 42 -20.772 2.656 5.988 366 2HH1 ARG 42 HH22 ARG 42 -21.894 1.614 6.797 367 1HH2 ARG 42 HH11 ARG 42 -23.452 0.581 3.876 368 2HH2 ARG 42 HH12 ARG 42 -23.412 0.442 5.601 369 H GLU 43 HN GLU 43 -21.129 6.519 -0.326 370 HA GLU 43 HA GLU 43 -23.490 5.857 -1.782 371 1HB GLU 43 HB2 GLU 43 -21.902 8.421 -1.596 372 2HB GLU 43 HB1 GLU 43 -23.449 8.302 -2.434 373 1HG GLU 43 HG2 GLU 43 -24.522 7.523 -0.357 374 2HG GLU 43 HG1 GLU 43 -22.976 7.638 0.488 375 H ASN 44 HN ASN 44 -20.277 6.767 -2.817 376 HA ASN 44 HA ASN 44 -21.030 6.197 -5.668 377 1HB ASN 44 HB2 ASN 44 -18.731 7.803 -4.508 378 2HB ASN 44 HB1 ASN 44 -18.969 7.488 -6.227 379 1HD2 ASN 44 HD21 ASN 44 -19.065 10.132 -4.799 380 2HD2 ASN 44 HD22 ASN 44 -20.606 10.766 -5.125 381 H LYS 45 HN LYS 45 -20.630 3.983 -5.847 382 HA LYS 45 HA LYS 45 -18.169 2.855 -4.666 383 1HB LYS 45 HB2 LYS 45 -20.438 1.623 -6.247 384 2HB LYS 45 HB1 LYS 45 -19.048 0.715 -5.649 385 1HG LYS 45 HG2 LYS 45 -19.588 1.403 -3.341 386 2HG LYS 45 HG1 LYS 45 -20.980 2.309 -3.938 387 1HD LYS 45 HD2 LYS 45 -21.959 0.232 -4.829 388 2HD LYS 45 HD1 LYS 45 -20.572 -0.683 -4.235 389 1HE LYS 45 HE2 LYS 45 -22.466 0.934 -2.506 390 2HE LYS 45 HE1 LYS 45 -22.490 -0.821 -2.670 391 1HZ LYS 45 HZ1 LYS 45 -20.621 0.885 -1.240 392 2HZ LYS 45 HZ2 LYS 45 -19.941 -0.434 -2.067 393 3HZ LYS 45 HZ3 LYS 45 -21.138 -0.692 -0.889 394 H GLN 46 HN GLN 46 -19.523 3.476 -7.903 395 HA GLN 46 HA GLN 46 -17.178 2.358 -9.231 396 1HB GLN 46 HB2 GLN 46 -19.525 3.984 -10.226 397 2HB GLN 46 HB1 GLN 46 -18.223 3.431 -11.281 398 1HG GLN 46 HG2 GLN 46 -18.692 1.109 -10.713 399 2HG GLN 46 HG1 GLN 46 -19.912 1.609 -9.542 400 1HE2 GLN 46 HE21 GLN 46 -20.492 -0.081 -11.846 401 2HE2 GLN 46 HE22 GLN 46 -21.550 0.786 -12.854 402 H GLY 47 HN GLY 47 -15.456 3.459 -10.106 403 1HA GLY 47 HA2 GLY 47 -14.431 5.537 -10.935 404 2HA GLY 47 HA1 GLY 47 -15.327 6.424 -9.705 405 H TRP 48 HN TRP 48 -14.820 5.347 -7.366 406 HA TRP 48 HA TRP 48 -11.898 5.657 -7.071 407 1HB TRP 48 HB2 TRP 48 -12.311 6.043 -4.788 408 2HB TRP 48 HB1 TRP 48 -13.695 6.769 -5.596 409 HD1 TRP 48 HD1 TRP 48 -16.031 5.373 -5.502 410 HE1 TRP 48 HE1 TRP 48 -16.891 3.688 -3.752 411 HE3 TRP 48 HE3 TRP 48 -11.657 4.246 -3.144 412 HZ2 TRP 48 HZ2 TRP 48 -15.856 2.071 -1.623 413 HZ3 TRP 48 HZ3 TRP 48 -11.614 2.630 -1.266 414 HH2 TRP 48 HH2 TRP 48 -13.704 1.544 -0.502 415 H GLN 49 HN GLN 49 -14.102 3.088 -7.379 416 HA GLN 49 HA GLN 49 -12.861 1.190 -5.614 417 1HB GLN 49 HB2 GLN 49 -15.149 0.917 -6.464 418 2HB GLN 49 HB1 GLN 49 -14.527 0.735 -8.103 419 1HG GLN 49 HG2 GLN 49 -13.318 -1.296 -7.445 420 2HG GLN 49 HG1 GLN 49 -13.866 -1.098 -5.779 421 1HE2 GLN 49 HE21 GLN 49 -15.348 -2.820 -5.535 422 2HE2 GLN 49 HE22 GLN 49 -16.679 -3.077 -6.554 423 H ASN 50 HN ASN 50 -12.675 1.444 -9.179 424 HA ASN 50 HA ASN 50 -10.596 -0.529 -9.412 425 1HB ASN 50 HB2 ASN 50 -11.626 1.596 -11.297 426 2HB ASN 50 HB1 ASN 50 -10.398 0.419 -11.756 427 1HD2 ASN 50 HD21 ASN 50 -13.154 0.605 -12.855 428 2HD2 ASN 50 HD22 ASN 50 -13.906 -0.874 -12.498 429 H SER 51 HN SER 51 -10.467 3.030 -9.295 430 HA SER 51 HA SER 51 -7.760 3.320 -10.069 431 1HB SER 51 HB2 SER 51 -9.463 4.980 -8.200 432 2HB SER 51 HB1 SER 51 -7.864 5.471 -8.756 433 HG SER 51 HG SER 51 -9.223 4.676 -10.871 434 H ILE 52 HN ILE 52 -9.117 2.708 -6.833 435 HA ILE 52 HA ILE 52 -6.809 3.099 -5.288 436 HB ILE 52 HB ILE 52 -9.040 1.085 -5.031 437 1HG1 ILE 52 HG12 ILE 52 -9.360 3.685 -4.875 438 2HG1 ILE 52 HG11 ILE 52 -10.117 2.639 -3.678 439 1HG2 ILE 52 HG21 ILE 52 -7.361 0.102 -3.717 440 2HG2 ILE 52 HG22 ILE 52 -8.266 1.074 -2.556 441 3HG2 ILE 52 HG23 ILE 52 -6.728 1.661 -3.191 442 1HD1 ILE 52 HD11 ILE 52 -8.742 4.772 -2.929 443 2HD1 ILE 52 HD12 ILE 52 -7.364 3.686 -3.115 444 3HD1 ILE 52 HD13 ILE 52 -8.663 3.278 -1.996 445 H ARG 53 HN ARG 53 -7.891 -0.184 -6.245 446 HA ARG 53 HA ARG 53 -5.299 -1.285 -5.700 447 1HB ARG 53 HB2 ARG 53 -6.208 -3.366 -6.652 448 2HB ARG 53 HB1 ARG 53 -7.307 -2.622 -5.491 449 1HG ARG 53 HG2 ARG 53 -8.493 -1.546 -7.454 450 2HG ARG 53 HG1 ARG 53 -7.507 -2.561 -8.508 451 1HD ARG 53 HD2 ARG 53 -9.127 -3.764 -6.252 452 2HD ARG 53 HD1 ARG 53 -9.836 -3.465 -7.843 453 HE ARG 53 HE ARG 53 -7.551 -4.862 -8.456 454 1HH1 ARG 53 HH21 ARG 53 -10.148 -5.283 -6.226 455 2HH1 ARG 53 HH22 ARG 53 -10.113 -7.014 -6.308 456 1HH2 ARG 53 HH11 ARG 53 -7.496 -7.119 -8.577 457 2HH2 ARG 53 HH12 ARG 53 -8.617 -8.052 -7.641 458 H HIS 54 HN HIS 54 -6.747 -0.148 -8.746 459 HA HIS 54 HA HIS 54 -4.820 -1.385 -10.463 460 1HB HIS 54 HB2 HIS 54 -6.383 1.198 -10.701 461 2HB HIS 54 HB1 HIS 54 -5.279 0.651 -11.961 462 HD1 HIS 54 HD1 HIS 54 -7.951 0.745 -13.039 463 HD2 HIS 54 HD2 HIS 54 -6.790 -2.537 -10.741 464 HE1 HIS 54 HE1 HIS 54 -9.530 -1.142 -13.630 465 H ASN 55 HN ASN 55 -4.788 1.628 -8.612 466 HA ASN 55 HA ASN 55 -2.304 2.642 -9.560 467 1HB ASN 55 HB2 ASN 55 -3.889 3.951 -8.183 468 2HB ASN 55 HB1 ASN 55 -3.548 2.906 -6.804 469 1HD2 ASN 55 HD21 ASN 55 -1.741 4.933 -9.186 470 2HD2 ASN 55 HD22 ASN 55 -0.601 5.494 -8.061 471 H LEU 56 HN LEU 56 -3.053 0.344 -6.927 472 HA LEU 56 HA LEU 56 -0.382 0.111 -5.937 473 1HB LEU 56 HB2 LEU 56 -2.700 -1.827 -5.936 474 2HB LEU 56 HB1 LEU 56 -1.165 -2.199 -5.163 475 HG LEU 56 HG LEU 56 -2.816 0.266 -4.520 476 1HD1 LEU 56 HD11 LEU 56 -3.920 -1.981 -3.972 477 2HD1 LEU 56 HD12 LEU 56 -3.685 -0.886 -2.613 478 3HD1 LEU 56 HD13 LEU 56 -2.591 -2.247 -2.847 479 1HD2 LEU 56 HD21 LEU 56 -0.266 -0.940 -3.459 480 2HD2 LEU 56 HD22 LEU 56 -1.322 -0.087 -2.340 481 3HD2 LEU 56 HD23 LEU 56 -0.670 0.752 -3.740 482 H SER 57 HN SER 57 -2.096 -1.612 -8.529 483 HA SER 57 HA SER 57 -0.038 -3.526 -9.040 484 1HB SER 57 HB2 SER 57 -2.196 -2.375 -10.821 485 2HB SER 57 HB1 SER 57 -1.136 -3.694 -11.314 486 HG SER 57 HG SER 57 -2.839 -4.702 -10.416 487 H LEU 58 HN LEU 58 -0.704 -0.390 -10.667 488 HA LEU 58 HA LEU 58 1.628 -0.602 -12.356 489 1HB LEU 58 HB2 LEU 58 -0.180 1.692 -11.597 490 2HB LEU 58 HB1 LEU 58 1.257 1.957 -12.578 491 HG LEU 58 HG LEU 58 0.355 0.106 -14.122 492 1HD1 LEU 58 HD11 LEU 58 -2.109 0.695 -12.459 493 2HD1 LEU 58 HD12 LEU 58 -1.317 -0.869 -12.657 494 3HD1 LEU 58 HD13 LEU 58 -2.146 -0.121 -14.020 495 1HD2 LEU 58 HD21 LEU 58 0.309 2.488 -14.710 496 2HD2 LEU 58 HD22 LEU 58 -1.190 2.696 -13.802 497 3HD2 LEU 58 HD23 LEU 58 -1.171 1.695 -15.255 498 H ASN 59 HN ASN 59 1.021 0.991 -9.238 499 HA ASN 59 HA ASN 59 3.592 2.275 -9.131 500 1HB ASN 59 HB2 ASN 59 1.568 1.563 -7.003 501 2HB ASN 59 HB1 ASN 59 3.064 2.427 -6.643 502 1HD2 ASN 59 HD21 ASN 59 0.433 3.615 -6.330 503 2HD2 ASN 59 HD22 ASN 59 0.316 4.896 -7.439 504 H GLU 60 HN GLU 60 5.511 1.349 -8.845 505 HA GLU 60 HA GLU 60 5.697 -1.442 -7.878 506 1HB GLU 60 HB2 GLU 60 7.812 0.469 -8.928 507 2HB GLU 60 HB1 GLU 60 8.050 -1.247 -8.592 508 1HG GLU 60 HG2 GLU 60 6.324 -1.818 -10.260 509 2HG GLU 60 HG1 GLU 60 6.082 -0.104 -10.599 510 H CYS 61 HN CYS 61 5.629 1.593 -6.539 511 HA CYS 61 HA CYS 61 7.758 1.589 -4.651 512 1HB CYS 61 HB2 CYS 61 4.974 2.774 -4.520 513 2HB CYS 61 HB1 CYS 61 6.211 3.068 -3.298 514 HG CYS 61 HG CYS 61 7.639 4.317 -5.043 515 H PHE 62 HN PHE 62 4.508 0.156 -4.514 516 HA PHE 62 HA PHE 62 4.857 -0.778 -1.772 517 1HB PHE 62 HB2 PHE 62 2.855 -1.583 -3.907 518 2HB PHE 62 HB1 PHE 62 2.767 -2.031 -2.204 519 HD1 PHE 62 HD1 PHE 62 2.285 -0.362 -0.475 520 HD2 PHE 62 HD2 PHE 62 2.407 0.701 -4.634 521 HE1 PHE 62 HE1 PHE 62 1.159 1.788 0.042 522 HE2 PHE 62 HE2 PHE 62 1.282 2.850 -4.119 523 HZ PHE 62 HZ PHE 62 0.660 3.395 -1.781 524 H VAL 63 HN VAL 63 5.237 -2.968 -1.141 525 HA VAL 63 HA VAL 63 6.596 -4.641 -3.228 526 HB VAL 63 HB VAL 63 6.938 -4.731 -0.218 527 1HG1 VAL 63 HG11 VAL 63 8.917 -6.070 -0.753 528 2HG1 VAL 63 HG12 VAL 63 8.597 -5.889 -2.478 529 3HG1 VAL 63 HG13 VAL 63 7.486 -6.814 -1.468 530 1HG2 VAL 63 HG21 VAL 63 9.095 -3.573 -0.652 531 2HG2 VAL 63 HG22 VAL 63 7.712 -2.571 -1.099 532 3HG2 VAL 63 HG23 VAL 63 8.642 -3.399 -2.349 533 H LYS 64 HN LYS 64 5.696 -6.580 -3.696 534 HA LYS 64 HA LYS 64 3.293 -7.460 -2.193 535 1HB LYS 64 HB2 LYS 64 4.642 -8.623 -4.666 536 2HB LYS 64 HB1 LYS 64 3.056 -9.075 -4.042 537 1HG LYS 64 HG2 LYS 64 2.228 -6.799 -4.438 538 2HG LYS 64 HG1 LYS 64 3.816 -6.316 -5.040 539 1HD LYS 64 HD2 LYS 64 3.652 -7.997 -6.838 540 2HD LYS 64 HD1 LYS 64 2.069 -8.490 -6.243 541 1HE LYS 64 HE2 LYS 64 1.026 -6.685 -7.197 542 2HE LYS 64 HE1 LYS 64 2.332 -5.577 -6.775 543 1HZ LYS 64 HZ1 LYS 64 3.655 -6.632 -8.570 544 2HZ LYS 64 HZ2 LYS 64 2.280 -5.800 -9.120 545 3HZ LYS 64 HZ3 LYS 64 2.272 -7.496 -9.035 546 H VAL 65 HN VAL 65 3.598 -8.923 -0.505 547 HA VAL 65 HA VAL 65 6.117 -10.519 -0.465 548 HB VAL 65 HB VAL 65 4.237 -10.520 1.868 549 1HG1 VAL 65 HG11 VAL 65 7.240 -10.246 1.579 550 2HG1 VAL 65 HG12 VAL 65 6.369 -11.729 1.968 551 3HG1 VAL 65 HG13 VAL 65 6.367 -10.381 3.104 552 1HG2 VAL 65 HG21 VAL 65 5.214 -8.334 2.620 553 2HG2 VAL 65 HG22 VAL 65 4.123 -8.188 1.241 554 3HG2 VAL 65 HG23 VAL 65 5.871 -8.123 0.995 555 HA PRO 66 HA PRO 66 3.394 -13.990 -1.522 556 1HB PRO 66 HB2 PRO 66 5.241 -15.973 -1.643 557 2HB PRO 66 HB1 PRO 66 5.131 -14.714 -2.891 558 1HG PRO 66 HG2 PRO 66 7.029 -14.934 -0.596 559 2HG PRO 66 HG1 PRO 66 7.343 -14.453 -2.271 560 1HD PRO 66 HD2 PRO 66 7.034 -12.649 -0.206 561 2HD PRO 66 HD1 PRO 66 6.678 -12.265 -1.904 562 H ARG 67 HN ARG 67 2.443 -15.787 -0.393 563 HA ARG 67 HA ARG 67 2.888 -15.757 2.501 564 1HB ARG 67 HB2 ARG 67 1.088 -17.533 0.828 565 2HB ARG 67 HB1 ARG 67 1.066 -17.400 2.586 566 1HG ARG 67 HG2 ARG 67 0.773 -14.789 2.000 567 2HG ARG 67 HG1 ARG 67 0.098 -15.459 0.519 568 1HD ARG 67 HD2 ARG 67 -0.806 -16.069 3.347 569 2HD ARG 67 HD1 ARG 67 -1.704 -15.166 2.124 570 HE ARG 67 HE ARG 67 -1.261 -17.604 0.912 571 1HH1 ARG 67 HH21 ARG 67 -2.519 -16.541 3.943 572 2HH1 ARG 67 HH22 ARG 67 -3.611 -17.876 4.108 573 1HH2 ARG 67 HH11 ARG 67 -2.676 -19.353 1.111 574 2HH2 ARG 67 HH12 ARG 67 -3.703 -19.466 2.504 575 H ASP 68 HN ASP 68 3.530 -17.616 3.739 576 HA ASP 68 HA ASP 68 5.540 -19.277 2.404 577 1HB ASP 68 HB2 ASP 68 4.560 -19.101 5.262 578 2HB ASP 68 HB1 ASP 68 5.789 -20.255 4.739 579 H ASP 69 HN ASP 69 5.498 -21.692 2.748 580 HA ASP 69 HA ASP 69 3.137 -22.837 1.654 581 1HB ASP 69 HB2 ASP 69 5.436 -24.108 3.172 582 2HB ASP 69 HB1 ASP 69 4.181 -25.026 2.339 583 H LYS 70 HN LYS 70 4.271 -22.616 5.017 584 HA LYS 70 HA LYS 70 2.417 -24.271 6.298 585 1HB LYS 70 HB2 LYS 70 3.450 -21.562 7.192 586 2HB LYS 70 HB1 LYS 70 2.628 -22.714 8.246 587 1HG LYS 70 HG2 LYS 70 4.376 -24.411 7.680 588 2HG LYS 70 HG1 LYS 70 5.235 -23.172 6.766 589 1HD LYS 70 HD2 LYS 70 4.513 -22.885 9.696 590 2HD LYS 70 HD1 LYS 70 6.064 -23.508 9.137 591 1HE LYS 70 HE2 LYS 70 6.225 -21.326 7.754 592 2HE LYS 70 HE1 LYS 70 4.920 -20.737 8.784 593 1HZ LYS 70 HZ1 LYS 70 6.303 -20.472 10.482 594 2HZ LYS 70 HZ2 LYS 70 7.575 -20.678 9.375 595 3HZ LYS 70 HZ3 LYS 70 7.006 -22.002 10.275 596 H LYS 71 HN LYS 71 1.819 -21.468 4.458 597 HA LYS 71 HA LYS 71 -1.024 -21.362 5.421 598 1HB LYS 71 HB2 LYS 71 0.728 -19.098 4.422 599 2HB LYS 71 HB1 LYS 71 -0.992 -18.958 4.782 600 1HG LYS 71 HG2 LYS 71 -0.535 -19.662 7.124 601 2HG LYS 71 HG1 LYS 71 1.190 -19.710 6.751 602 1HD LYS 71 HD2 LYS 71 1.249 -17.353 6.306 603 2HD LYS 71 HD1 LYS 71 -0.511 -17.241 6.343 604 1HE LYS 71 HE2 LYS 71 0.571 -16.419 8.445 605 2HE LYS 71 HE1 LYS 71 -0.544 -17.756 8.718 606 1HZ LYS 71 HZ1 LYS 71 1.272 -19.276 8.828 607 2HZ LYS 71 HZ2 LYS 71 1.608 -17.989 9.884 608 3HZ LYS 71 HZ3 LYS 71 2.385 -18.079 8.375 609 HA PRO 72 HA PRO 72 -0.797 -22.357 0.891 610 1HB PRO 72 HB2 PRO 72 -2.550 -24.440 0.876 611 2HB PRO 72 HB1 PRO 72 -0.844 -24.634 1.318 612 1HG PRO 72 HG2 PRO 72 -3.242 -24.453 3.077 613 2HG PRO 72 HG1 PRO 72 -1.801 -25.472 3.237 614 1HD PRO 72 HD2 PRO 72 -2.205 -23.126 4.650 615 2HD PRO 72 HD1 PRO 72 -0.602 -23.820 4.325 616 H GLY 73 HN GLY 73 -2.080 -21.306 -0.554 617 1HA GLY 73 HA2 GLY 73 -4.644 -21.196 -1.167 618 2HA GLY 73 HA1 GLY 73 -4.738 -20.321 0.365 619 H LYS 74 HN LYS 74 -4.066 -18.185 0.433 620 HA LYS 74 HA LYS 74 -3.818 -16.786 -2.091 621 1HB LYS 74 HB2 LYS 74 -3.447 -15.884 0.777 622 2HB LYS 74 HB1 LYS 74 -3.397 -14.792 -0.606 623 1HG LYS 74 HG2 LYS 74 -5.689 -15.472 -1.223 624 2HG LYS 74 HG1 LYS 74 -5.739 -16.561 0.166 625 1HD LYS 74 HD2 LYS 74 -5.405 -14.640 1.683 626 2HD LYS 74 HD1 LYS 74 -5.355 -13.556 0.296 627 1HE LYS 74 HE2 LYS 74 -7.639 -13.974 -0.244 628 2HE LYS 74 HE1 LYS 74 -7.715 -15.365 0.838 629 1HZ LYS 74 HZ1 LYS 74 -8.563 -13.888 2.271 630 2HZ LYS 74 HZ2 LYS 74 -7.940 -12.546 1.435 631 3HZ LYS 74 HZ3 LYS 74 -6.950 -13.416 2.508 632 H GLY 75 HN GLY 75 -1.957 -15.517 -2.765 633 1HA GLY 75 HA2 GLY 75 0.664 -16.329 -1.576 634 2HA GLY 75 HA1 GLY 75 0.402 -16.494 -3.311 635 H SER 76 HN SER 76 -0.769 -13.855 -1.229 636 HA SER 76 HA SER 76 1.284 -12.018 -2.251 637 1HB SER 76 HB2 SER 76 -0.245 -10.555 -3.432 638 2HB SER 76 HB1 SER 76 -0.399 -12.175 -4.104 639 HG SER 76 HG SER 76 -2.447 -11.792 -3.685 640 H TYR 77 HN TYR 77 1.269 -10.006 -1.173 641 HA TYR 77 HA TYR 77 -0.772 -9.432 0.864 642 1HB TYR 77 HB2 TYR 77 1.960 -10.449 1.489 643 2HB TYR 77 HB1 TYR 77 1.440 -9.068 2.439 644 HD1 TYR 77 HD1 TYR 77 1.674 -12.467 2.611 645 HD2 TYR 77 HD2 TYR 77 -1.303 -9.391 3.082 646 HE1 TYR 77 HE1 TYR 77 0.365 -13.955 4.096 647 HE2 TYR 77 HE2 TYR 77 -2.610 -10.889 4.550 648 HH TYR 77 HH TYR 77 -2.721 -12.869 5.530 649 H TRP 78 HN TRP 78 -0.132 -7.226 1.926 650 HA TRP 78 HA TRP 78 1.506 -5.578 0.031 651 1HB TRP 78 HB2 TRP 78 -1.253 -4.935 1.122 652 2HB TRP 78 HB1 TRP 78 -0.228 -3.785 0.254 653 HD1 TRP 78 HD1 TRP 78 -2.458 -6.790 -0.257 654 HE1 TRP 78 HE1 TRP 78 -2.685 -7.271 -2.780 655 HE3 TRP 78 HE3 TRP 78 1.046 -3.568 -2.082 656 HZ2 TRP 78 HZ2 TRP 78 -1.515 -6.404 -5.251 657 HZ3 TRP 78 HZ3 TRP 78 1.467 -3.405 -4.515 658 HH2 TRP 78 HH2 TRP 78 0.188 -4.812 -6.102 659 H THR 79 HN THR 79 3.032 -4.469 1.129 660 HA THR 79 HA THR 79 2.433 -3.351 3.790 661 HB THR 79 HB THR 79 3.232 -5.601 4.355 662 HG1 THR 79 HG1 THR 79 5.521 -4.331 4.987 663 1HG2 THR 79 HG21 THR 79 4.505 -6.066 2.306 664 2HG2 THR 79 HG22 THR 79 5.517 -6.296 3.732 665 3HG2 THR 79 HG23 THR 79 5.691 -4.841 2.754 666 H LEU 80 HN LEU 80 3.949 -1.703 4.397 667 HA LEU 80 HA LEU 80 5.230 -0.409 2.112 668 1HB LEU 80 HB2 LEU 80 5.118 0.279 5.062 669 2HB LEU 80 HB1 LEU 80 5.934 1.282 3.866 670 HG LEU 80 HG LEU 80 3.015 0.482 3.682 671 1HD1 LEU 80 HD11 LEU 80 3.361 1.845 5.681 672 2HD1 LEU 80 HD12 LEU 80 2.553 2.807 4.444 673 3HD1 LEU 80 HD13 LEU 80 4.277 3.027 4.746 674 1HD2 LEU 80 HD21 LEU 80 4.845 2.277 2.092 675 2HD2 LEU 80 HD22 LEU 80 3.133 2.674 2.201 676 3HD2 LEU 80 HD23 LEU 80 3.633 1.133 1.521 677 H ASP 81 HN ASP 81 7.557 0.275 2.244 678 HA ASP 81 HA ASP 81 9.295 -1.906 2.445 679 1HB ASP 81 HB2 ASP 81 10.438 0.780 3.114 680 2HB ASP 81 HB1 ASP 81 10.976 -0.402 1.921 681 HA PRO 82 HA PRO 82 10.328 -2.570 6.677 682 1HB PRO 82 HB2 PRO 82 13.124 -1.550 6.450 683 2HB PRO 82 HB1 PRO 82 12.548 -3.164 6.907 684 1HG PRO 82 HG2 PRO 82 13.667 -2.735 4.535 685 2HG PRO 82 HG1 PRO 82 12.286 -3.835 4.707 686 1HD PRO 82 HD2 PRO 82 12.321 -1.000 3.698 687 2HD PRO 82 HD1 PRO 82 11.440 -2.409 3.056 688 H ASP 83 HN ASP 83 12.410 -1.041 8.228 689 HA ASP 83 HA ASP 83 10.658 1.160 9.048 690 1HB ASP 83 HB2 ASP 83 13.350 0.183 10.032 691 2HB ASP 83 HB1 ASP 83 12.523 1.581 10.719 692 H SER 84 HN SER 84 11.174 1.847 6.558 693 HA SER 84 HA SER 84 13.655 3.369 6.283 694 1HB SER 84 HB2 SER 84 12.811 3.988 4.105 695 2HB SER 84 HB1 SER 84 12.442 2.285 4.355 696 HG SER 84 HG SER 84 10.534 3.066 3.754 697 H TYR 85 HN TYR 85 13.448 4.808 8.128 698 HA TYR 85 HA TYR 85 11.188 6.719 8.125 699 1HB TYR 85 HB2 TYR 85 13.204 5.778 10.049 700 2HB TYR 85 HB1 TYR 85 13.018 7.526 10.097 701 HD1 TYR 85 HD1 TYR 85 10.492 8.365 10.015 702 HD2 TYR 85 HD2 TYR 85 11.754 4.486 11.361 703 HE1 TYR 85 HE1 TYR 85 8.384 8.125 11.304 704 HE2 TYR 85 HE2 TYR 85 9.647 4.246 12.648 705 HH TYR 85 HH TYR 85 6.976 6.234 12.191 706 H ASN 86 HN ASN 86 14.629 7.424 8.707 707 HA ASN 86 HA ASN 86 14.371 9.780 6.913 708 1HB ASN 86 HB2 ASN 86 16.579 8.987 8.837 709 2HB ASN 86 HB1 ASN 86 16.496 10.507 7.942 710 1HD2 ASN 86 HD21 ASN 86 16.046 9.475 10.982 711 2HD2 ASN 86 HD22 ASN 86 14.729 10.434 11.458 712 H MET 87 HN MET 87 15.065 6.679 6.481 713 HA MET 87 HA MET 87 17.596 6.592 5.180 714 1HB MET 87 HB2 MET 87 15.067 4.975 4.765 715 2HB MET 87 HB1 MET 87 16.601 4.594 3.984 716 1HG MET 87 HG2 MET 87 16.520 3.249 5.960 717 2HG MET 87 HG1 MET 87 17.633 4.568 6.319 718 1HE MET 87 HE1 MET 87 17.263 3.464 8.550 719 2HE MET 87 HE2 MET 87 16.210 4.217 9.746 720 3HE MET 87 HE3 MET 87 17.454 5.177 8.947 721 H PHE 88 HN PHE 88 18.206 7.042 3.078 722 HA PHE 88 HA PHE 88 16.180 8.385 1.325 723 1HB PHE 88 HB2 PHE 88 19.190 8.761 1.485 724 2HB PHE 88 HB1 PHE 88 18.117 9.587 0.354 725 HD1 PHE 88 HD1 PHE 88 16.557 11.310 1.116 726 HD2 PHE 88 HD2 PHE 88 19.154 9.285 3.875 727 HE1 PHE 88 HE1 PHE 88 16.055 13.017 2.843 728 HE2 PHE 88 HE2 PHE 88 18.653 10.995 5.600 729 HZ PHE 88 HZ PHE 88 17.104 12.861 5.084 730 H GLU 89 HN GLU 89 15.550 6.825 -0.077 731 HA GLU 89 HA GLU 89 17.184 4.641 -0.940 732 1HB GLU 89 HB2 GLU 89 14.677 5.860 -2.120 733 2HB GLU 89 HB1 GLU 89 15.429 4.394 -2.754 734 1HG GLU 89 HG2 GLU 89 15.199 3.318 -0.546 735 2HG GLU 89 HG1 GLU 89 14.443 4.780 0.089 736 H ASN 90 HN ASN 90 16.908 7.889 -1.931 737 HA ASN 90 HA ASN 90 18.454 7.402 -4.440 738 1HB ASN 90 HB2 ASN 90 16.380 8.914 -4.399 739 2HB ASN 90 HB1 ASN 90 17.357 10.050 -3.469 740 1HD2 ASN 90 HD21 ASN 90 16.504 10.943 -5.951 741 2HD2 ASN 90 HD22 ASN 90 17.793 10.955 -7.053 742 H GLY 91 HN GLY 91 19.358 7.375 -1.494 743 1HA GLY 91 HA2 GLY 91 21.875 8.815 -1.979 744 2HA GLY 91 HA1 GLY 91 20.919 9.422 -0.624 745 H SER 92 HN SER 92 21.917 8.662 1.205 746 HA SER 92 HA SER 92 22.869 5.840 1.259 747 1HB SER 92 HB2 SER 92 23.371 7.964 3.348 748 2HB SER 92 HB1 SER 92 24.268 6.474 3.071 749 HG SER 92 HG SER 92 24.082 8.191 0.914 750 H PHE 93 HN PHE 93 22.761 5.602 4.064 751 HA PHE 93 HA PHE 93 19.814 5.294 4.476 752 1HB PHE 93 HB2 PHE 93 20.401 3.540 6.078 753 2HB PHE 93 HB1 PHE 93 21.154 3.219 4.517 754 HD1 PHE 93 HD1 PHE 93 23.584 3.908 4.166 755 HD2 PHE 93 HD2 PHE 93 21.718 3.811 8.034 756 HE1 PHE 93 HE1 PHE 93 25.818 3.855 5.243 757 HE2 PHE 93 HE2 PHE 93 23.952 3.762 9.111 758 HZ PHE 93 HZ PHE 93 26.003 3.784 7.716 759 H LEU 94 HN LEU 94 22.660 6.864 5.758 760 HA LEU 94 HA LEU 94 20.957 8.315 7.666 761 1HB LEU 94 HB2 LEU 94 21.888 6.083 8.707 762 2HB LEU 94 HB1 LEU 94 23.403 6.968 8.800 763 HG LEU 94 HG LEU 94 21.968 8.834 9.948 764 1HD1 LEU 94 HD11 LEU 94 20.184 6.401 10.221 765 2HD1 LEU 94 HD12 LEU 94 19.748 7.991 9.590 766 3HD1 LEU 94 HD13 LEU 94 20.098 7.789 11.303 767 1HD2 LEU 94 HD21 LEU 94 22.332 7.785 12.142 768 2HD2 LEU 94 HD22 LEU 94 23.707 7.485 11.078 769 3HD2 LEU 94 HD23 LEU 94 22.520 6.213 11.366 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -25.387 18.450 2.222 2 2H MET 1 HT2 MET 1 -24.032 19.404 2.594 3 3H MET 1 HT3 MET 1 -24.194 17.853 3.269 4 HA MET 1 HA MET 1 -24.288 17.160 0.744 5 1HB MET 1 HB2 MET 1 -22.788 18.542 -0.587 6 2HB MET 1 HB1 MET 1 -24.096 19.551 0.030 7 1HG MET 1 HG2 MET 1 -22.586 20.224 1.930 8 2HG MET 1 HG1 MET 1 -21.278 19.353 1.133 9 1HE MET 1 HE1 MET 1 -19.715 21.710 0.853 10 2HE MET 1 HE2 MET 1 -20.987 22.011 2.033 11 3HE MET 1 HE3 MET 1 -20.664 23.200 0.773 12 H LEU 2 HN LEU 2 -22.695 15.613 0.481 13 HA LEU 2 HA LEU 2 -20.614 15.469 2.612 14 1HB LEU 2 HB2 LEU 2 -21.539 13.390 0.606 15 2HB LEU 2 HB1 LEU 2 -20.386 13.114 1.908 16 HG LEU 2 HG LEU 2 -23.244 14.041 2.332 17 1HD1 LEU 2 HD11 LEU 2 -22.982 11.710 1.354 18 2HD1 LEU 2 HD12 LEU 2 -23.792 11.778 2.918 19 3HD1 LEU 2 HD13 LEU 2 -22.106 11.277 2.822 20 1HD2 LEU 2 HD21 LEU 2 -20.952 13.302 4.154 21 2HD2 LEU 2 HD22 LEU 2 -22.615 13.077 4.693 22 3HD2 LEU 2 HD23 LEU 2 -22.046 14.682 4.250 23 H VAL 3 HN VAL 3 -18.431 15.452 2.104 24 HA VAL 3 HA VAL 3 -17.669 15.674 -0.789 25 HB VAL 3 HB VAL 3 -15.954 17.359 -0.072 26 1HG1 VAL 3 HG11 VAL 3 -17.541 19.221 0.104 27 2HG1 VAL 3 HG12 VAL 3 -18.826 18.104 0.566 28 3HG1 VAL 3 HG13 VAL 3 -18.138 18.034 -1.056 29 1HG2 VAL 3 HG21 VAL 3 -17.563 17.368 2.503 30 2HG2 VAL 3 HG22 VAL 3 -16.195 18.413 2.121 31 3HG2 VAL 3 HG23 VAL 3 -15.947 16.682 2.339 32 H LYS 4 HN LYS 4 -15.459 15.007 -1.230 33 HA LYS 4 HA LYS 4 -14.637 12.755 0.436 34 1HB LYS 4 HB2 LYS 4 -13.655 13.980 -2.139 35 2HB LYS 4 HB1 LYS 4 -12.670 12.781 -1.305 36 1HG LYS 4 HG2 LYS 4 -14.139 11.743 -3.011 37 2HG LYS 4 HG1 LYS 4 -14.514 11.169 -1.387 38 1HD LYS 4 HD2 LYS 4 -16.451 12.551 -1.239 39 2HD LYS 4 HD1 LYS 4 -15.981 13.487 -2.658 40 1HE LYS 4 HE2 LYS 4 -16.456 11.694 -4.137 41 2HE LYS 4 HE1 LYS 4 -16.505 10.516 -2.826 42 1HZ LYS 4 HZ1 LYS 4 -18.492 12.576 -3.536 43 2HZ LYS 4 HZ2 LYS 4 -18.427 11.945 -1.959 44 3HZ LYS 4 HZ3 LYS 4 -18.723 10.916 -3.278 45 HA PRO 5 HA PRO 5 -11.717 15.022 2.878 46 1HB PRO 5 HB2 PRO 5 -9.880 13.120 3.496 47 2HB PRO 5 HB1 PRO 5 -11.523 13.105 4.162 48 1HG PRO 5 HG2 PRO 5 -10.416 11.560 1.857 49 2HG PRO 5 HG1 PRO 5 -11.461 11.007 3.179 50 1HD PRO 5 HD2 PRO 5 -12.444 11.627 0.711 51 2HD PRO 5 HD1 PRO 5 -13.385 11.873 2.199 52 HA PRO 6 HA PRO 6 -8.431 16.387 0.230 53 1HB PRO 6 HB2 PRO 6 -6.643 17.433 1.992 54 2HB PRO 6 HB1 PRO 6 -8.236 18.163 1.709 55 1HG PRO 6 HG2 PRO 6 -7.362 16.352 3.923 56 2HG PRO 6 HG1 PRO 6 -8.323 17.841 4.004 57 1HD PRO 6 HD2 PRO 6 -9.467 15.358 4.063 58 2HD PRO 6 HD1 PRO 6 -10.283 16.773 3.358 59 H TYR 7 HN TYR 7 -8.127 13.474 1.435 60 HA TYR 7 HA TYR 7 -5.157 13.267 1.355 61 1HB TYR 7 HB2 TYR 7 -7.195 11.070 1.810 62 2HB TYR 7 HB1 TYR 7 -5.461 10.989 2.110 63 HD1 TYR 7 HD1 TYR 7 -8.487 11.283 3.735 64 HD2 TYR 7 HD2 TYR 7 -4.627 13.167 3.609 65 HE1 TYR 7 HE1 TYR 7 -8.849 12.168 6.020 66 HE2 TYR 7 HE2 TYR 7 -4.985 14.048 5.896 67 HH TYR 7 HH TYR 7 -6.336 14.118 7.647 68 H SER 8 HN SER 8 -4.096 12.335 -0.364 69 HA SER 8 HA SER 8 -5.550 12.012 -2.860 70 1HB SER 8 HB2 SER 8 -3.371 11.421 -3.805 71 2HB SER 8 HB1 SER 8 -3.190 12.821 -2.753 72 HG SER 8 HG SER 8 -1.853 11.670 -1.631 73 H TYR 9 HN TYR 9 -5.358 9.910 -4.133 74 HA TYR 9 HA TYR 9 -6.514 7.762 -2.666 75 1HB TYR 9 HB2 TYR 9 -5.118 7.813 -5.355 76 2HB TYR 9 HB1 TYR 9 -5.940 6.388 -4.718 77 HD1 TYR 9 HD1 TYR 9 -6.359 9.750 -6.112 78 HD2 TYR 9 HD2 TYR 9 -8.384 6.398 -4.348 79 HE1 TYR 9 HE1 TYR 9 -8.533 10.658 -6.884 80 HE2 TYR 9 HE2 TYR 9 -10.558 7.304 -5.122 81 HH TYR 9 HH TYR 9 -10.987 9.340 -7.418 82 H ILE 10 HN ILE 10 -3.162 8.388 -3.652 83 HA ILE 10 HA ILE 10 -2.124 5.882 -2.685 84 HB ILE 10 HB ILE 10 -0.783 8.558 -3.168 85 1HG1 ILE 10 HG12 ILE 10 -0.732 6.001 -4.796 86 2HG1 ILE 10 HG11 ILE 10 -1.851 7.326 -5.112 87 1HG2 ILE 10 HG21 ILE 10 1.303 7.082 -3.253 88 2HG2 ILE 10 HG22 ILE 10 0.334 5.833 -2.473 89 3HG2 ILE 10 HG23 ILE 10 0.628 7.363 -1.649 90 1HD1 ILE 10 HD11 ILE 10 1.176 7.444 -5.200 91 2HD1 ILE 10 HD12 ILE 10 0.130 8.858 -5.332 92 3HD1 ILE 10 HD13 ILE 10 0.070 7.599 -6.565 93 H ALA 11 HN ALA 11 -2.495 9.099 -1.195 94 HA ALA 11 HA ALA 11 -1.106 8.483 1.233 95 1HB ALA 11 HB1 ALA 11 -1.740 10.797 0.598 96 2HB ALA 11 HB2 ALA 11 -2.366 10.387 2.195 97 3HB ALA 11 HB3 ALA 11 -3.444 10.384 0.800 98 H LEU 12 HN LEU 12 -4.529 8.101 0.307 99 HA LEU 12 HA LEU 12 -5.458 7.198 2.852 100 1HB LEU 12 HB2 LEU 12 -6.386 6.546 0.044 101 2HB LEU 12 HB1 LEU 12 -7.254 6.042 1.491 102 HG LEU 12 HG LEU 12 -6.565 8.924 0.849 103 1HD1 LEU 12 HD11 LEU 12 -8.160 7.796 -0.782 104 2HD1 LEU 12 HD12 LEU 12 -8.804 9.209 0.051 105 3HD1 LEU 12 HD13 LEU 12 -9.267 7.591 0.575 106 1HD2 LEU 12 HD21 LEU 12 -6.971 8.919 3.139 107 2HD2 LEU 12 HD22 LEU 12 -8.061 7.536 3.061 108 3HD2 LEU 12 HD23 LEU 12 -8.613 9.126 2.544 109 H ILE 13 HN ILE 13 -3.999 5.494 0.113 110 HA ILE 13 HA ILE 13 -4.277 2.862 1.262 111 HB ILE 13 HB ILE 13 -2.396 3.952 -0.848 112 1HG1 ILE 13 HG12 ILE 13 -4.869 2.220 -1.131 113 2HG1 ILE 13 HG11 ILE 13 -4.886 3.976 -1.301 114 1HG2 ILE 13 HG21 ILE 13 -1.356 1.983 0.002 115 2HG2 ILE 13 HG22 ILE 13 -2.220 1.470 -1.445 116 3HG2 ILE 13 HG23 ILE 13 -2.899 1.141 0.148 117 1HD1 ILE 13 HD11 ILE 13 -3.254 3.832 -3.134 118 2HD1 ILE 13 HD12 ILE 13 -4.676 2.854 -3.501 119 3HD1 ILE 13 HD13 ILE 13 -3.191 2.078 -2.953 120 H THR 14 HN THR 14 -1.637 5.265 1.236 121 HA THR 14 HA THR 14 0.250 3.601 2.600 122 HB THR 14 HB THR 14 0.045 6.616 2.563 123 HG1 THR 14 HG1 THR 14 0.476 4.956 0.630 124 1HG2 THR 14 HG21 THR 14 1.504 5.852 4.363 125 2HG2 THR 14 HG22 THR 14 2.484 6.504 3.052 126 3HG2 THR 14 HG23 THR 14 2.335 4.759 3.255 127 H MET 15 HN MET 15 -2.157 5.938 3.784 128 HA MET 15 HA MET 15 -1.382 5.673 6.555 129 1HB MET 15 HB2 MET 15 -3.913 6.675 5.236 130 2HB MET 15 HB1 MET 15 -3.681 6.675 6.982 131 1HG MET 15 HG2 MET 15 -1.513 7.979 6.544 132 2HG MET 15 HG1 MET 15 -2.100 8.192 4.895 133 1HE MET 15 HE1 MET 15 -5.160 10.335 5.095 134 2HE MET 15 HE2 MET 15 -4.620 8.773 4.488 135 3HE MET 15 HE3 MET 15 -3.629 10.205 4.222 136 H ALA 16 HN ALA 16 -3.644 3.981 4.469 137 HA ALA 16 HA ALA 16 -5.121 2.588 6.450 138 1HB ALA 16 HB1 ALA 16 -5.968 2.408 4.270 139 2HB ALA 16 HB2 ALA 16 -5.269 0.810 4.528 140 3HB ALA 16 HB3 ALA 16 -4.390 2.018 3.589 141 H ILE 17 HN ILE 17 -2.122 1.659 4.762 142 HA ILE 17 HA ILE 17 -1.784 -0.877 6.020 143 HB ILE 17 HB ILE 17 0.359 1.053 5.072 144 1HG1 ILE 17 HG12 ILE 17 -0.949 -1.200 3.531 145 2HG1 ILE 17 HG11 ILE 17 -1.494 0.473 3.421 146 1HG2 ILE 17 HG21 ILE 17 1.378 -0.711 6.320 147 2HG2 ILE 17 HG22 ILE 17 1.534 -1.179 4.627 148 3HG2 ILE 17 HG23 ILE 17 0.293 -1.919 5.633 149 1HD1 ILE 17 HD11 ILE 17 1.369 -0.366 2.917 150 2HD1 ILE 17 HD12 ILE 17 0.635 1.203 2.576 151 3HD1 ILE 17 HD13 ILE 17 0.169 -0.215 1.634 152 H GLN 18 HN GLN 18 -0.548 2.333 6.864 153 HA GLN 18 HA GLN 18 0.996 1.557 9.125 154 1HB GLN 18 HB2 GLN 18 -0.372 4.175 8.469 155 2HB GLN 18 HB1 GLN 18 0.795 3.969 9.776 156 1HG GLN 18 HG2 GLN 18 2.489 3.214 8.168 157 2HG GLN 18 HG1 GLN 18 1.323 3.373 6.854 158 1HE2 GLN 18 HE21 GLN 18 2.655 5.048 5.810 159 2HE2 GLN 18 HE22 GLN 18 2.732 6.619 6.446 160 H ASN 19 HN ASN 19 -2.415 2.669 8.997 161 HA ASN 19 HA ASN 19 -2.618 2.291 11.924 162 1HB ASN 19 HB2 ASN 19 -4.795 3.286 11.748 163 2HB ASN 19 HB1 ASN 19 -3.713 4.224 10.717 164 1HD2 ASN 19 HD21 ASN 19 -3.853 1.610 8.908 165 2HD2 ASN 19 HD22 ASN 19 -5.273 1.868 8.015 166 H ALA 20 HN ALA 20 -2.496 0.126 9.576 167 HA ALA 20 HA ALA 20 -4.942 -1.387 10.022 168 1HB ALA 20 HB1 ALA 20 -3.696 -1.636 7.922 169 2HB ALA 20 HB2 ALA 20 -3.706 -3.182 8.770 170 3HB ALA 20 HB3 ALA 20 -2.263 -2.170 8.806 171 HA PRO 21 HA PRO 21 -3.801 -3.405 13.826 172 1HB PRO 21 HB2 PRO 21 -4.670 -6.017 13.307 173 2HB PRO 21 HB1 PRO 21 -5.709 -4.698 13.874 174 1HG PRO 21 HG2 PRO 21 -5.312 -5.731 11.105 175 2HG PRO 21 HG1 PRO 21 -6.799 -5.188 11.903 176 1HD PRO 21 HD2 PRO 21 -5.527 -3.616 10.131 177 2HD PRO 21 HD1 PRO 21 -6.308 -2.920 11.570 178 H GLU 22 HN GLU 22 -2.828 -4.666 10.751 179 HA GLU 22 HA GLU 22 -0.245 -5.576 11.915 180 1HB GLU 22 HB2 GLU 22 -1.805 -7.560 11.555 181 2HB GLU 22 HB1 GLU 22 -1.763 -7.177 9.834 182 1HG GLU 22 HG2 GLU 22 0.643 -7.486 9.766 183 2HG GLU 22 HG1 GLU 22 0.704 -7.699 11.516 184 H LYS 23 HN LYS 23 1.497 -5.240 10.446 185 HA LYS 23 HA LYS 23 1.142 -3.138 8.557 186 1HB LYS 23 HB2 LYS 23 3.368 -5.201 8.713 187 2HB LYS 23 HB1 LYS 23 3.447 -3.695 7.803 188 1HG LYS 23 HG2 LYS 23 2.947 -3.816 10.791 189 2HG LYS 23 HG1 LYS 23 4.548 -3.617 10.085 190 1HD LYS 23 HD2 LYS 23 3.530 -1.600 8.819 191 2HD LYS 23 HD1 LYS 23 2.201 -1.717 9.972 192 1HE LYS 23 HE2 LYS 23 5.117 -1.443 10.744 193 2HE LYS 23 HE1 LYS 23 3.957 -0.116 10.710 194 1HZ LYS 23 HZ1 LYS 23 3.441 -0.692 12.775 195 2HZ LYS 23 HZ2 LYS 23 4.331 -2.138 12.684 196 3HZ LYS 23 HZ3 LYS 23 2.720 -2.091 12.143 197 H LYS 24 HN LYS 24 1.233 -6.674 8.128 198 HA LYS 24 HA LYS 24 0.945 -6.422 5.225 199 1HB LYS 24 HB2 LYS 24 0.664 -8.791 7.092 200 2HB LYS 24 HB1 LYS 24 0.462 -8.898 5.346 201 1HG LYS 24 HG2 LYS 24 2.757 -8.025 5.039 202 2HG LYS 24 HG1 LYS 24 2.961 -7.978 6.789 203 1HD LYS 24 HD2 LYS 24 2.556 -10.407 6.902 204 2HD LYS 24 HD1 LYS 24 2.352 -10.454 5.149 205 1HE LYS 24 HE2 LYS 24 4.863 -9.667 6.661 206 2HE LYS 24 HE1 LYS 24 4.634 -11.117 5.681 207 1HZ LYS 24 HZ1 LYS 24 5.148 -8.388 4.856 208 2HZ LYS 24 HZ2 LYS 24 3.969 -9.202 3.946 209 3HZ LYS 24 HZ3 LYS 24 5.534 -9.847 4.082 210 H ILE 25 HN ILE 25 -0.945 -6.188 4.153 211 HA ILE 25 HA ILE 25 -3.478 -7.100 5.380 212 HB ILE 25 HB ILE 25 -3.240 -4.754 6.140 213 1HG1 ILE 25 HG12 ILE 25 -5.295 -4.976 3.922 214 2HG1 ILE 25 HG11 ILE 25 -5.467 -5.769 5.488 215 1HG2 ILE 25 HG21 ILE 25 -3.343 -3.972 3.222 216 2HG2 ILE 25 HG22 ILE 25 -1.820 -4.125 4.099 217 3HG2 ILE 25 HG23 ILE 25 -3.019 -2.940 4.616 218 1HD1 ILE 25 HD11 ILE 25 -5.058 -2.787 5.134 219 2HD1 ILE 25 HD12 ILE 25 -5.418 -3.634 6.640 220 3HD1 ILE 25 HD13 ILE 25 -6.632 -3.549 5.362 221 H THR 26 HN THR 26 -5.001 -7.654 3.805 222 HA THR 26 HA THR 26 -3.951 -7.949 1.094 223 HB THR 26 HB THR 26 -6.174 -9.040 0.668 224 HG1 THR 26 HG1 THR 26 -7.690 -8.911 2.123 225 1HG2 THR 26 HG21 THR 26 -4.935 -10.084 3.217 226 2HG2 THR 26 HG22 THR 26 -4.107 -10.201 1.663 227 3HG2 THR 26 HG23 THR 26 -5.658 -11.006 1.898 228 H LEU 27 HN LEU 27 -5.246 -7.258 -0.804 229 HA LEU 27 HA LEU 27 -5.711 -4.462 -0.803 230 1HB LEU 27 HB2 LEU 27 -5.143 -5.775 -2.810 231 2HB LEU 27 HB1 LEU 27 -6.689 -6.603 -2.723 232 HG LEU 27 HG LEU 27 -7.897 -4.611 -3.277 233 1HD1 LEU 27 HD11 LEU 27 -6.523 -2.457 -3.712 234 2HD1 LEU 27 HD12 LEU 27 -5.280 -3.216 -2.718 235 3HD1 LEU 27 HD13 LEU 27 -6.873 -2.880 -2.038 236 1HD2 LEU 27 HD21 LEU 27 -5.388 -4.964 -4.931 237 2HD2 LEU 27 HD22 LEU 27 -6.695 -3.894 -5.414 238 3HD2 LEU 27 HD23 LEU 27 -6.994 -5.622 -5.237 239 H ASN 28 HN ASN 28 -7.936 -7.200 -0.537 240 HA ASN 28 HA ASN 28 -10.389 -5.761 -0.607 241 1HB ASN 28 HB2 ASN 28 -9.632 -8.306 0.845 242 2HB ASN 28 HB1 ASN 28 -11.287 -7.721 0.667 243 1HD2 ASN 28 HD21 ASN 28 -8.891 -9.628 -0.823 244 2HD2 ASN 28 HD22 ASN 28 -9.589 -9.732 -2.367 245 H GLY 29 HN GLY 29 -8.209 -6.522 2.096 246 1HA GLY 29 HA2 GLY 29 -9.854 -5.569 4.207 247 2HA GLY 29 HA1 GLY 29 -8.093 -5.635 4.260 248 H ILE 30 HN ILE 30 -7.557 -3.844 2.113 249 HA ILE 30 HA ILE 30 -7.614 -1.357 3.483 250 HB ILE 30 HB ILE 30 -7.248 -1.926 0.530 251 1HG1 ILE 30 HG12 ILE 30 -5.201 -1.376 2.699 252 2HG1 ILE 30 HG11 ILE 30 -5.656 -2.999 2.180 253 1HG2 ILE 30 HG21 ILE 30 -6.921 0.573 2.196 254 2HG2 ILE 30 HG22 ILE 30 -7.728 0.384 0.640 255 3HG2 ILE 30 HG23 ILE 30 -5.969 0.332 0.731 256 1HD1 ILE 30 HD11 ILE 30 -4.381 -0.830 0.496 257 2HD1 ILE 30 HD12 ILE 30 -5.041 -2.319 -0.178 258 3HD1 ILE 30 HD13 ILE 30 -3.681 -2.384 0.944 259 H TYR 31 HN TYR 31 -9.781 -2.622 0.943 260 HA TYR 31 HA TYR 31 -11.243 -0.216 0.544 261 1HB TYR 31 HB2 TYR 31 -11.934 -3.127 0.215 262 2HB TYR 31 HB1 TYR 31 -13.166 -1.898 -0.037 263 HD1 TYR 31 HD1 TYR 31 -12.235 0.204 -1.484 264 HD2 TYR 31 HD2 TYR 31 -10.767 -3.817 -1.699 265 HE1 TYR 31 HE1 TYR 31 -11.364 0.645 -3.750 266 HE2 TYR 31 HE2 TYR 31 -9.889 -3.377 -3.972 267 HH TYR 31 HH TYR 31 -10.743 -1.386 -5.905 268 H GLN 32 HN GLN 32 -11.705 -2.793 2.953 269 HA GLN 32 HA GLN 32 -14.177 -1.852 3.993 270 1HB GLN 32 HB2 GLN 32 -11.865 -3.289 5.305 271 2HB GLN 32 HB1 GLN 32 -13.402 -2.999 6.119 272 1HG GLN 32 HG2 GLN 32 -13.191 -4.401 3.446 273 2HG GLN 32 HG1 GLN 32 -13.185 -5.265 4.985 274 1HE2 GLN 32 HE21 GLN 32 -15.123 -4.388 6.509 275 2HE2 GLN 32 HE22 GLN 32 -16.627 -4.274 5.728 276 H PHE 33 HN PHE 33 -10.840 -0.937 4.781 277 HA PHE 33 HA PHE 33 -11.394 0.729 7.006 278 1HB PHE 33 HB2 PHE 33 -9.134 0.031 6.421 279 2HB PHE 33 HB1 PHE 33 -9.215 0.946 4.916 280 HD1 PHE 33 HD1 PHE 33 -8.648 3.242 4.865 281 HD2 PHE 33 HD2 PHE 33 -9.394 1.310 8.629 282 HE1 PHE 33 HE1 PHE 33 -7.862 5.268 6.060 283 HE2 PHE 33 HE2 PHE 33 -8.608 3.335 9.823 284 HZ PHE 33 HZ PHE 33 -7.839 5.314 8.539 285 H ILE 34 HN ILE 34 -11.074 1.673 3.562 286 HA ILE 34 HA ILE 34 -11.537 4.435 3.970 287 HB ILE 34 HB ILE 34 -12.054 2.686 1.559 288 1HG1 ILE 34 HG12 ILE 34 -9.841 4.669 2.166 289 2HG1 ILE 34 HG11 ILE 34 -9.711 2.942 2.493 290 1HG2 ILE 34 HG21 ILE 34 -13.402 4.604 1.175 291 2HG2 ILE 34 HG22 ILE 34 -11.880 4.974 0.367 292 3HG2 ILE 34 HG23 ILE 34 -12.236 5.680 1.943 293 1HD1 ILE 34 HD11 ILE 34 -10.345 4.089 -0.237 294 2HD1 ILE 34 HD12 ILE 34 -9.970 2.409 0.151 295 3HD1 ILE 34 HD13 ILE 34 -8.721 3.648 0.290 296 H MET 35 HN MET 35 -13.964 1.944 3.040 297 HA MET 35 HA MET 35 -16.143 3.760 2.927 298 1HB MET 35 HB2 MET 35 -16.017 0.797 3.491 299 2HB MET 35 HB1 MET 35 -17.546 1.671 3.402 300 1HG MET 35 HG2 MET 35 -16.976 2.448 1.130 301 2HG MET 35 HG1 MET 35 -15.446 1.579 1.214 302 1HE MET 35 HE1 MET 35 -15.178 -0.751 1.712 303 2HE MET 35 HE2 MET 35 -15.316 -0.786 -0.045 304 3HE MET 35 HE3 MET 35 -16.134 -2.011 0.921 305 H ASP 36 HN ASP 36 -14.853 1.940 5.706 306 HA ASP 36 HA ASP 36 -16.957 2.695 7.511 307 1HB ASP 36 HB2 ASP 36 -14.088 1.851 7.976 308 2HB ASP 36 HB1 ASP 36 -15.239 2.121 9.284 309 H ARG 37 HN ARG 37 -13.699 4.077 7.009 310 HA ARG 37 HA ARG 37 -14.056 6.174 8.939 311 1HB ARG 37 HB2 ARG 37 -12.110 5.730 6.686 312 2HB ARG 37 HB1 ARG 37 -12.037 7.171 7.694 313 1HG ARG 37 HG2 ARG 37 -12.240 4.560 9.144 314 2HG ARG 37 HG1 ARG 37 -10.726 4.861 8.306 315 1HD ARG 37 HD2 ARG 37 -11.071 5.688 10.805 316 2HD ARG 37 HD1 ARG 37 -10.170 6.669 9.653 317 HE ARG 37 HE ARG 37 -12.782 7.547 9.365 318 1HH1 ARG 37 HH21 ARG 37 -10.579 7.080 11.975 319 2HH1 ARG 37 HH22 ARG 37 -11.204 8.395 12.913 320 1HH2 ARG 37 HH11 ARG 37 -13.609 9.269 10.571 321 2HH2 ARG 37 HH12 ARG 37 -12.918 9.637 12.116 322 H PHE 38 HN PHE 38 -14.496 6.124 5.395 323 HA PHE 38 HA PHE 38 -15.767 8.842 5.627 324 1HB PHE 38 HB2 PHE 38 -14.278 7.817 3.202 325 2HB PHE 38 HB1 PHE 38 -14.821 9.459 3.528 326 HD1 PHE 38 HD1 PHE 38 -12.239 6.957 4.118 327 HD2 PHE 38 HD2 PHE 38 -13.697 10.816 5.318 328 HE1 PHE 38 HE1 PHE 38 -10.058 7.450 5.190 329 HE2 PHE 38 HE2 PHE 38 -11.512 11.308 6.388 330 HZ PHE 38 HZ PHE 38 -9.696 9.622 6.327 331 HA PRO 39 HA PRO 39 -18.949 5.710 4.216 332 1HB PRO 39 HB2 PRO 39 -20.554 8.049 5.204 333 2HB PRO 39 HB1 PRO 39 -20.848 6.311 5.419 334 1HG PRO 39 HG2 PRO 39 -19.850 7.756 7.398 335 2HG PRO 39 HG1 PRO 39 -19.249 6.116 7.086 336 1HD PRO 39 HD2 PRO 39 -17.941 8.745 6.487 337 2HD PRO 39 HD1 PRO 39 -17.199 7.199 6.956 338 H PHE 40 HN PHE 40 -18.029 8.855 3.158 339 HA PHE 40 HA PHE 40 -20.128 9.448 1.327 340 1HB PHE 40 HB2 PHE 40 -17.293 10.019 0.514 341 2HB PHE 40 HB1 PHE 40 -18.713 11.055 0.423 342 HD1 PHE 40 HD1 PHE 40 -19.796 11.120 3.092 343 HD2 PHE 40 HD2 PHE 40 -15.680 11.031 1.855 344 HE1 PHE 40 HE1 PHE 40 -19.136 12.241 5.203 345 HE2 PHE 40 HE2 PHE 40 -15.025 12.154 3.961 346 HZ PHE 40 HZ PHE 40 -16.749 12.757 5.639 347 H TYR 41 HN TYR 41 -17.295 7.376 1.058 348 HA TYR 41 HA TYR 41 -17.555 6.812 -1.742 349 1HB TYR 41 HB2 TYR 41 -16.161 5.376 0.525 350 2HB TYR 41 HB1 TYR 41 -16.037 4.866 -1.161 351 HD1 TYR 41 HD1 TYR 41 -14.759 6.141 -2.767 352 HD2 TYR 41 HD2 TYR 41 -15.351 7.609 1.209 353 HE1 TYR 41 HE1 TYR 41 -13.056 7.891 -3.168 354 HE2 TYR 41 HE2 TYR 41 -13.645 9.360 0.839 355 HH TYR 41 HH TYR 41 -11.737 9.441 -2.152 356 H ARG 42 HN ARG 42 -19.087 5.394 1.108 357 HA ARG 42 HA ARG 42 -19.886 2.924 -0.067 358 1HB ARG 42 HB2 ARG 42 -21.152 4.684 2.039 359 2HB ARG 42 HB1 ARG 42 -21.924 3.190 1.511 360 1HG ARG 42 HG2 ARG 42 -20.003 1.885 2.192 361 2HG ARG 42 HG1 ARG 42 -19.079 3.342 2.540 362 1HD ARG 42 HD2 ARG 42 -20.358 3.860 4.438 363 2HD ARG 42 HD1 ARG 42 -21.715 2.867 3.933 364 HE ARG 42 HE ARG 42 -19.451 2.070 5.548 365 1HH1 ARG 42 HH21 ARG 42 -21.495 0.940 3.005 366 2HH1 ARG 42 HH22 ARG 42 -21.130 -0.730 3.292 367 1HH2 ARG 42 HH11 ARG 42 -18.980 -0.089 5.927 368 2HH2 ARG 42 HH12 ARG 42 -19.711 -1.310 4.941 369 H GLU 43 HN GLU 43 -21.319 6.174 -0.206 370 HA GLU 43 HA GLU 43 -23.621 5.373 -1.729 371 1HB GLU 43 HB2 GLU 43 -22.242 8.046 -1.410 372 2HB GLU 43 HB1 GLU 43 -23.738 7.833 -2.322 373 1HG GLU 43 HG2 GLU 43 -24.834 6.904 -0.314 374 2HG GLU 43 HG1 GLU 43 -23.341 7.119 0.599 375 H ASN 44 HN ASN 44 -20.425 6.504 -2.576 376 HA ASN 44 HA ASN 44 -20.993 6.088 -5.480 377 1HB ASN 44 HB2 ASN 44 -18.682 7.394 -4.019 378 2HB ASN 44 HB1 ASN 44 -18.690 7.109 -5.758 379 1HD2 ASN 44 HD21 ASN 44 -18.701 9.742 -4.351 380 2HD2 ASN 44 HD22 ASN 44 -20.102 10.541 -4.880 381 H LYS 45 HN LYS 45 -20.813 3.859 -5.802 382 HA LYS 45 HA LYS 45 -18.548 2.404 -4.579 383 1HB LYS 45 HB2 LYS 45 -20.818 1.473 -6.363 384 2HB LYS 45 HB1 LYS 45 -19.591 0.418 -5.666 385 1HG LYS 45 HG2 LYS 45 -20.283 1.090 -3.400 386 2HG LYS 45 HG1 LYS 45 -21.515 2.150 -4.087 387 1HD LYS 45 HD2 LYS 45 -22.590 0.208 -5.165 388 2HD LYS 45 HD1 LYS 45 -21.364 -0.855 -4.476 389 1HE LYS 45 HE2 LYS 45 -22.076 0.026 -2.189 390 2HE LYS 45 HE1 LYS 45 -23.460 0.753 -3.005 391 1HZ LYS 45 HZ1 LYS 45 -22.933 -2.045 -3.595 392 2HZ LYS 45 HZ2 LYS 45 -24.412 -1.240 -3.373 393 3HZ LYS 45 HZ3 LYS 45 -23.486 -1.707 -2.028 394 H GLN 46 HN GLN 46 -19.825 2.046 -7.866 395 HA GLN 46 HA GLN 46 -17.311 1.387 -9.001 396 1HB GLN 46 HB2 GLN 46 -19.819 2.521 -10.263 397 2HB GLN 46 HB1 GLN 46 -18.437 1.941 -11.192 398 1HG GLN 46 HG2 GLN 46 -19.907 0.257 -9.148 399 2HG GLN 46 HG1 GLN 46 -20.264 0.225 -10.875 400 1HE2 GLN 46 HE21 GLN 46 -18.762 -1.651 -8.738 401 2HE2 GLN 46 HE22 GLN 46 -17.428 -2.190 -9.638 402 H GLY 47 HN GLY 47 -15.717 2.595 -9.956 403 1HA GLY 47 HA2 GLY 47 -15.096 4.718 -11.135 404 2HA GLY 47 HA1 GLY 47 -16.008 5.584 -9.901 405 H TRP 48 HN TRP 48 -15.208 4.681 -7.541 406 HA TRP 48 HA TRP 48 -12.346 5.417 -7.495 407 1HB TRP 48 HB2 TRP 48 -12.626 5.773 -5.152 408 2HB TRP 48 HB1 TRP 48 -14.054 6.433 -5.938 409 HD1 TRP 48 HD1 TRP 48 -16.320 4.880 -5.823 410 HE1 TRP 48 HE1 TRP 48 -17.107 3.284 -3.971 411 HE3 TRP 48 HE3 TRP 48 -11.904 4.126 -3.362 412 HZ2 TRP 48 HZ2 TRP 48 -16.025 1.875 -1.734 413 HZ3 TRP 48 HZ3 TRP 48 -11.818 2.654 -1.372 414 HH2 TRP 48 HH2 TRP 48 -13.872 1.528 -0.553 415 H GLN 49 HN GLN 49 -14.139 2.528 -7.524 416 HA GLN 49 HA GLN 49 -12.509 0.964 -5.743 417 1HB GLN 49 HB2 GLN 49 -14.270 0.197 -8.078 418 2HB GLN 49 HB1 GLN 49 -13.452 -0.988 -7.060 419 1HG GLN 49 HG2 GLN 49 -14.588 -0.066 -5.072 420 2HG GLN 49 HG1 GLN 49 -15.411 1.116 -6.090 421 1HE2 GLN 49 HE21 GLN 49 -17.566 0.295 -5.830 422 2HE2 GLN 49 HE22 GLN 49 -18.035 -1.242 -6.374 423 H ASN 50 HN ASN 50 -12.488 1.143 -9.324 424 HA ASN 50 HA ASN 50 -10.159 -0.493 -9.617 425 1HB ASN 50 HB2 ASN 50 -11.277 1.631 -11.471 426 2HB ASN 50 HB1 ASN 50 -10.082 0.415 -11.920 427 1HD2 ASN 50 HD21 ASN 50 -11.029 -1.922 -10.831 428 2HD2 ASN 50 HD22 ASN 50 -12.582 -2.279 -11.412 429 H SER 51 HN SER 51 -10.529 3.015 -9.203 430 HA SER 51 HA SER 51 -7.897 3.775 -9.948 431 1HB SER 51 HB2 SER 51 -8.288 5.792 -8.650 432 2HB SER 51 HB1 SER 51 -9.791 5.345 -9.452 433 HG SER 51 HG SER 51 -9.331 5.651 -6.859 434 H ILE 52 HN ILE 52 -9.162 2.657 -6.812 435 HA ILE 52 HA ILE 52 -6.778 3.048 -5.310 436 HB ILE 52 HB ILE 52 -9.013 1.021 -5.050 437 1HG1 ILE 52 HG12 ILE 52 -9.345 3.605 -4.767 438 2HG1 ILE 52 HG11 ILE 52 -10.018 2.521 -3.560 439 1HG2 ILE 52 HG21 ILE 52 -8.126 0.888 -2.629 440 2HG2 ILE 52 HG22 ILE 52 -6.626 1.543 -3.284 441 3HG2 ILE 52 HG23 ILE 52 -7.245 0.000 -3.872 442 1HD1 ILE 52 HD11 ILE 52 -8.444 3.095 -1.959 443 2HD1 ILE 52 HD12 ILE 52 -8.626 4.626 -2.814 444 3HD1 ILE 52 HD13 ILE 52 -7.242 3.588 -3.147 445 H ARG 53 HN ARG 53 -7.923 0.135 -7.032 446 HA ARG 53 HA ARG 53 -5.496 -1.354 -6.483 447 1HB ARG 53 HB2 ARG 53 -7.277 -2.034 -8.813 448 2HB ARG 53 HB1 ARG 53 -6.506 -3.106 -7.642 449 1HG ARG 53 HG2 ARG 53 -8.056 -2.087 -5.888 450 2HG ARG 53 HG1 ARG 53 -8.910 -1.335 -7.231 451 1HD ARG 53 HD2 ARG 53 -9.207 -3.612 -8.241 452 2HD ARG 53 HD1 ARG 53 -8.553 -4.299 -6.747 453 HE ARG 53 HE ARG 53 -10.594 -2.644 -5.877 454 1HH1 ARG 53 HH21 ARG 53 -10.251 -5.212 -8.150 455 2HH1 ARG 53 HH22 ARG 53 -11.886 -5.759 -7.977 456 1HH2 ARG 53 HH11 ARG 53 -12.725 -3.346 -5.633 457 2HH2 ARG 53 HH12 ARG 53 -13.285 -4.706 -6.547 458 H HIS 54 HN HIS 54 -6.668 0.560 -9.234 459 HA HIS 54 HA HIS 54 -4.611 -0.121 -11.076 460 1HB HIS 54 HB2 HIS 54 -6.642 1.154 -11.702 461 2HB HIS 54 HB1 HIS 54 -6.064 2.528 -10.759 462 HD1 HIS 54 HD1 HIS 54 -4.399 0.281 -13.368 463 HD2 HIS 54 HD2 HIS 54 -4.952 4.327 -12.525 464 HE1 HIS 54 HE1 HIS 54 -3.186 1.563 -15.184 465 H ASN 55 HN ASN 55 -4.760 2.335 -8.522 466 HA ASN 55 HA ASN 55 -2.236 3.567 -9.111 467 1HB ASN 55 HB2 ASN 55 -3.851 3.360 -6.554 468 2HB ASN 55 HB1 ASN 55 -2.379 4.323 -6.694 469 1HD2 ASN 55 HD21 ASN 55 -5.032 5.449 -6.188 470 2HD2 ASN 55 HD22 ASN 55 -5.414 6.438 -7.514 471 H LEU 56 HN LEU 56 -3.154 0.842 -7.011 472 HA LEU 56 HA LEU 56 -0.632 0.483 -5.772 473 1HB LEU 56 HB2 LEU 56 -2.894 -1.409 -6.359 474 2HB LEU 56 HB1 LEU 56 -1.423 -1.977 -5.574 475 HG LEU 56 HG LEU 56 -3.074 0.363 -4.575 476 1HD1 LEU 56 HD11 LEU 56 -4.401 -1.692 -4.463 477 2HD1 LEU 56 HD12 LEU 56 -3.895 -1.216 -2.844 478 3HD1 LEU 56 HD13 LEU 56 -3.067 -2.533 -3.674 479 1HD2 LEU 56 HD21 LEU 56 -0.559 -0.991 -3.684 480 2HD2 LEU 56 HD22 LEU 56 -1.703 -0.566 -2.417 481 3HD2 LEU 56 HD23 LEU 56 -1.073 0.682 -3.485 482 H SER 57 HN SER 57 -1.877 -1.031 -8.773 483 HA SER 57 HA SER 57 0.453 -2.626 -9.219 484 1HB SER 57 HB2 SER 57 -0.422 -3.039 -11.390 485 2HB SER 57 HB1 SER 57 -1.830 -2.819 -10.354 486 HG SER 57 HG SER 57 -1.546 -0.490 -11.043 487 H LEU 58 HN LEU 58 -0.358 0.674 -10.298 488 HA LEU 58 HA LEU 58 1.970 0.977 -11.962 489 1HB LEU 58 HB2 LEU 58 0.187 2.980 -10.566 490 2HB LEU 58 HB1 LEU 58 1.529 3.466 -11.596 491 HG LEU 58 HG LEU 58 -0.602 1.558 -12.580 492 1HD1 LEU 58 HD11 LEU 58 -1.548 3.694 -13.695 493 2HD1 LEU 58 HD12 LEU 58 -0.652 4.576 -12.460 494 3HD1 LEU 58 HD13 LEU 58 -1.913 3.437 -11.989 495 1HD2 LEU 58 HD21 LEU 58 1.274 1.601 -14.053 496 2HD2 LEU 58 HD22 LEU 58 1.482 3.342 -13.871 497 3HD2 LEU 58 HD23 LEU 58 0.116 2.708 -14.782 498 H ASN 59 HN ASN 59 1.336 1.596 -8.543 499 HA ASN 59 HA ASN 59 3.965 2.794 -8.110 500 1HB ASN 59 HB2 ASN 59 1.738 1.884 -6.281 501 2HB ASN 59 HB1 ASN 59 3.264 2.522 -5.662 502 1HD2 ASN 59 HD21 ASN 59 0.275 3.596 -5.972 503 2HD2 ASN 59 HD22 ASN 59 0.526 5.181 -6.527 504 H GLU 60 HN GLU 60 5.714 1.499 -8.276 505 HA GLU 60 HA GLU 60 5.554 -1.357 -7.536 506 1HB GLU 60 HB2 GLU 60 7.796 0.326 -8.693 507 2HB GLU 60 HB1 GLU 60 7.884 -1.414 -8.419 508 1HG GLU 60 HG2 GLU 60 6.004 -1.783 -9.940 509 2HG GLU 60 HG1 GLU 60 5.821 -0.043 -10.173 510 H CYS 61 HN CYS 61 6.239 1.572 -6.015 511 HA CYS 61 HA CYS 61 8.432 0.890 -4.320 512 1HB CYS 61 HB2 CYS 61 6.036 2.692 -3.860 513 2HB CYS 61 HB1 CYS 61 7.387 2.571 -2.733 514 HG CYS 61 HG CYS 61 7.560 4.494 -4.765 515 H PHE 62 HN PHE 62 4.944 0.311 -4.074 516 HA PHE 62 HA PHE 62 5.191 -1.052 -1.492 517 1HB PHE 62 HB2 PHE 62 2.871 -1.258 -3.429 518 2HB PHE 62 HB1 PHE 62 2.843 -1.453 -1.679 519 HD1 PHE 62 HD1 PHE 62 3.805 0.675 -0.337 520 HD2 PHE 62 HD2 PHE 62 2.125 0.776 -4.287 521 HE1 PHE 62 HE1 PHE 62 3.317 3.092 -0.070 522 HE2 PHE 62 HE2 PHE 62 1.639 3.192 -4.022 523 HZ PHE 62 HZ PHE 62 2.235 4.350 -1.913 524 H VAL 63 HN VAL 63 5.764 -3.185 -1.292 525 HA VAL 63 HA VAL 63 5.927 -4.844 -3.778 526 HB VAL 63 HB VAL 63 7.124 -5.409 -1.052 527 1HG1 VAL 63 HG11 VAL 63 6.819 -7.284 -2.742 528 2HG1 VAL 63 HG12 VAL 63 8.485 -7.001 -2.238 529 3HG1 VAL 63 HG13 VAL 63 7.923 -6.406 -3.800 530 1HG2 VAL 63 HG21 VAL 63 8.096 -3.335 -1.781 531 2HG2 VAL 63 HG22 VAL 63 8.235 -3.912 -3.442 532 3HG2 VAL 63 HG23 VAL 63 9.262 -4.597 -2.183 533 H LYS 64 HN LYS 64 4.434 -6.445 -4.039 534 HA LYS 64 HA LYS 64 2.661 -7.078 -1.737 535 1HB LYS 64 HB2 LYS 64 1.364 -8.317 -3.616 536 2HB LYS 64 HB1 LYS 64 1.346 -6.556 -3.603 537 1HG LYS 64 HG2 LYS 64 3.035 -6.446 -5.315 538 2HG LYS 64 HG1 LYS 64 3.323 -8.183 -5.219 539 1HD LYS 64 HD2 LYS 64 1.269 -8.715 -6.231 540 2HD LYS 64 HD1 LYS 64 0.571 -7.138 -5.874 541 1HE LYS 64 HE2 LYS 64 1.094 -7.250 -8.244 542 2HE LYS 64 HE1 LYS 64 2.191 -6.108 -7.471 543 1HZ LYS 64 HZ1 LYS 64 2.978 -8.126 -9.042 544 2HZ LYS 64 HZ2 LYS 64 3.108 -8.850 -7.510 545 3HZ LYS 64 HZ3 LYS 64 3.954 -7.417 -7.849 546 H VAL 65 HN VAL 65 3.141 -8.792 -0.564 547 HA VAL 65 HA VAL 65 4.906 -10.900 -1.596 548 HB VAL 65 HB VAL 65 4.152 -11.811 0.866 549 1HG1 VAL 65 HG11 VAL 65 6.146 -9.583 0.356 550 2HG1 VAL 65 HG12 VAL 65 6.459 -11.309 0.179 551 3HG1 VAL 65 HG13 VAL 65 6.121 -10.633 1.773 552 1HG2 VAL 65 HG21 VAL 65 2.600 -9.689 0.912 553 2HG2 VAL 65 HG22 VAL 65 4.088 -8.824 1.278 554 3HG2 VAL 65 HG23 VAL 65 3.527 -10.108 2.349 555 HA PRO 66 HA PRO 66 1.477 -13.498 -2.762 556 1HB PRO 66 HB2 PRO 66 2.629 -15.966 -2.707 557 2HB PRO 66 HB1 PRO 66 3.083 -14.746 -3.912 558 1HG PRO 66 HG2 PRO 66 4.468 -15.486 -1.367 559 2HG PRO 66 HG1 PRO 66 5.156 -15.208 -2.978 560 1HD PRO 66 HD2 PRO 66 5.192 -13.297 -1.019 561 2HD PRO 66 HD1 PRO 66 5.108 -12.897 -2.751 562 H ARG 67 HN ARG 67 1.125 -16.202 -1.765 563 HA ARG 67 HA ARG 67 0.199 -15.569 1.009 564 1HB ARG 67 HB2 ARG 67 -0.695 -17.713 -0.935 565 2HB ARG 67 HB1 ARG 67 -1.381 -17.421 0.665 566 1HG ARG 67 HG2 ARG 67 -2.007 -15.136 -0.009 567 2HG ARG 67 HG1 ARG 67 -1.325 -15.419 -1.612 568 1HD ARG 67 HD2 ARG 67 -3.605 -16.980 -0.365 569 2HD ARG 67 HD1 ARG 67 -3.762 -15.761 -1.630 570 HE ARG 67 HE ARG 67 -1.943 -17.585 -2.665 571 1HH1 ARG 67 HH21 ARG 67 -5.138 -17.645 -1.375 572 2HH1 ARG 67 HH22 ARG 67 -5.624 -19.033 -2.290 573 1HH2 ARG 67 HH11 ARG 67 -2.550 -19.399 -3.857 574 2HH2 ARG 67 HH12 ARG 67 -4.154 -20.031 -3.694 575 H ASP 68 HN ASP 68 0.689 -16.964 2.696 576 HA ASP 68 HA ASP 68 3.084 -18.641 2.296 577 1HB ASP 68 HB2 ASP 68 2.705 -16.950 4.211 578 2HB ASP 68 HB1 ASP 68 1.641 -18.172 4.907 579 H ASP 69 HN ASP 69 2.867 -20.596 4.137 580 HA ASP 69 HA ASP 69 1.321 -22.613 2.865 581 1HB ASP 69 HB2 ASP 69 2.552 -22.434 5.624 582 2HB ASP 69 HB1 ASP 69 1.745 -23.889 5.040 583 H LYS 70 HN LYS 70 0.624 -20.602 5.707 584 HA LYS 70 HA LYS 70 -1.933 -21.930 6.193 585 1HB LYS 70 HB2 LYS 70 -0.641 -19.446 7.345 586 2HB LYS 70 HB1 LYS 70 -2.229 -20.031 7.846 587 1HG LYS 70 HG2 LYS 70 -1.230 -22.198 8.483 588 2HG LYS 70 HG1 LYS 70 0.357 -21.608 7.989 589 1HD LYS 70 HD2 LYS 70 0.226 -19.812 9.668 590 2HD LYS 70 HD1 LYS 70 -1.368 -20.385 10.162 591 1HE LYS 70 HE2 LYS 70 0.449 -21.215 11.657 592 2HE LYS 70 HE1 LYS 70 -0.429 -22.523 10.864 593 1HZ LYS 70 HZ1 LYS 70 1.356 -23.112 9.672 594 2HZ LYS 70 HZ2 LYS 70 2.234 -22.276 10.862 595 3HZ LYS 70 HZ3 LYS 70 1.848 -21.513 9.395 596 H LYS 71 HN LYS 71 -2.144 -21.302 3.663 597 HA LYS 71 HA LYS 71 -3.187 -18.613 3.207 598 1HB LYS 71 HB2 LYS 71 -3.889 -19.742 0.961 599 2HB LYS 71 HB1 LYS 71 -2.180 -19.500 1.303 600 1HG LYS 71 HG2 LYS 71 -1.874 -21.782 1.949 601 2HG LYS 71 HG1 LYS 71 -3.608 -22.075 1.991 602 1HD LYS 71 HD2 LYS 71 -2.973 -23.028 -0.056 603 2HD LYS 71 HD1 LYS 71 -3.558 -21.442 -0.539 604 1HE LYS 71 HE2 LYS 71 -0.636 -22.036 0.020 605 2HE LYS 71 HE1 LYS 71 -1.357 -22.128 -1.584 606 1HZ LYS 71 HZ1 LYS 71 -1.038 -19.962 -1.764 607 2HZ LYS 71 HZ2 LYS 71 -0.495 -19.849 -0.158 608 3HZ LYS 71 HZ3 LYS 71 -2.151 -19.707 -0.509 609 HA PRO 72 HA PRO 72 -7.275 -20.189 4.476 610 1HB PRO 72 HB2 PRO 72 -8.448 -17.875 5.136 611 2HB PRO 72 HB1 PRO 72 -7.134 -18.538 6.129 612 1HG PRO 72 HG2 PRO 72 -7.045 -16.356 4.096 613 2HG PRO 72 HG1 PRO 72 -6.252 -16.448 5.677 614 1HD PRO 72 HD2 PRO 72 -5.010 -17.051 3.242 615 2HD PRO 72 HD1 PRO 72 -4.452 -17.604 4.835 616 H GLY 73 HN GLY 73 -6.417 -18.752 1.697 617 1HA GLY 73 HA2 GLY 73 -7.622 -18.883 -0.375 618 2HA GLY 73 HA1 GLY 73 -9.123 -19.055 0.532 619 H LYS 74 HN LYS 74 -6.541 -16.624 0.000 620 HA LYS 74 HA LYS 74 -8.664 -14.565 -0.381 621 1HB LYS 74 HB2 LYS 74 -6.337 -14.371 1.553 622 2HB LYS 74 HB1 LYS 74 -7.310 -12.990 1.043 623 1HG LYS 74 HG2 LYS 74 -9.339 -14.091 1.895 624 2HG LYS 74 HG1 LYS 74 -8.380 -15.479 2.406 625 1HD LYS 74 HD2 LYS 74 -7.076 -14.017 3.913 626 2HD LYS 74 HD1 LYS 74 -8.050 -12.635 3.409 627 1HE LYS 74 HE2 LYS 74 -9.093 -15.131 4.779 628 2HE LYS 74 HE1 LYS 74 -8.888 -13.551 5.534 629 1HZ LYS 74 HZ1 LYS 74 -10.742 -14.279 3.339 630 2HZ LYS 74 HZ2 LYS 74 -10.421 -12.673 3.791 631 3HZ LYS 74 HZ3 LYS 74 -11.143 -13.741 4.896 632 H GLY 75 HN GLY 75 -7.413 -12.410 -1.060 633 1HA GLY 75 HA2 GLY 75 -5.989 -13.075 -3.484 634 2HA GLY 75 HA1 GLY 75 -6.252 -11.447 -2.863 635 H SER 76 HN SER 76 -3.977 -11.127 -3.602 636 HA SER 76 HA SER 76 -1.825 -12.487 -2.156 637 1HB SER 76 HB2 SER 76 -1.897 -10.112 -4.033 638 2HB SER 76 HB1 SER 76 -0.413 -10.709 -3.297 639 HG SER 76 HG SER 76 -0.781 -11.657 -5.339 640 H TYR 77 HN TYR 77 -0.303 -11.294 -0.760 641 HA TYR 77 HA TYR 77 -1.743 -9.448 1.058 642 1HB TYR 77 HB2 TYR 77 0.799 -11.067 1.214 643 2HB TYR 77 HB1 TYR 77 0.488 -9.781 2.381 644 HD1 TYR 77 HD1 TYR 77 -0.774 -12.994 1.013 645 HD2 TYR 77 HD2 TYR 77 -1.139 -10.050 4.118 646 HE1 TYR 77 HE1 TYR 77 -2.238 -14.530 2.297 647 HE2 TYR 77 HE2 TYR 77 -2.612 -11.582 5.398 648 HH TYR 77 HH TYR 77 -4.107 -14.203 4.102 649 H TRP 78 HN TRP 78 -1.249 -7.295 1.237 650 HA TRP 78 HA TRP 78 0.925 -6.212 -0.518 651 1HB TRP 78 HB2 TRP 78 -1.719 -5.101 0.410 652 2HB TRP 78 HB1 TRP 78 -0.439 -4.025 -0.148 653 HD1 TRP 78 HD1 TRP 78 -2.915 -6.633 -1.374 654 HE1 TRP 78 HE1 TRP 78 -2.914 -6.641 -3.952 655 HE3 TRP 78 HE3 TRP 78 1.066 -3.565 -2.260 656 HZ2 TRP 78 HZ2 TRP 78 -1.412 -5.494 -6.112 657 HZ3 TRP 78 HZ3 TRP 78 1.760 -3.040 -4.577 658 HH2 TRP 78 HH2 TRP 78 0.528 -3.996 -6.502 659 H THR 79 HN THR 79 2.590 -5.111 0.420 660 HA THR 79 HA THR 79 2.292 -3.970 3.123 661 HB THR 79 HB THR 79 2.901 -6.395 3.426 662 HG1 THR 79 HG1 THR 79 3.755 -4.330 4.633 663 1HG2 THR 79 HG21 THR 79 5.017 -7.218 2.733 664 2HG2 THR 79 HG22 THR 79 5.597 -5.604 2.325 665 3HG2 THR 79 HG23 THR 79 4.371 -6.379 1.322 666 H LEU 80 HN LEU 80 4.285 -2.748 3.753 667 HA LEU 80 HA LEU 80 5.360 -1.297 1.453 668 1HB LEU 80 HB2 LEU 80 6.175 -1.109 4.374 669 2HB LEU 80 HB1 LEU 80 6.476 0.089 3.116 670 HG LEU 80 HG LEU 80 3.746 -0.768 4.111 671 1HD1 LEU 80 HD11 LEU 80 4.900 0.586 5.771 672 2HD1 LEU 80 HD12 LEU 80 3.663 1.572 4.992 673 3HD1 LEU 80 HD13 LEU 80 5.357 1.764 4.540 674 1HD2 LEU 80 HD21 LEU 80 3.114 1.366 2.756 675 2HD2 LEU 80 HD22 LEU 80 3.431 -0.116 1.859 676 3HD2 LEU 80 HD23 LEU 80 4.670 1.136 1.956 677 H ASP 81 HN ASP 81 7.859 -0.982 1.374 678 HA ASP 81 HA ASP 81 9.140 -3.331 0.690 679 1HB ASP 81 HB2 ASP 81 11.309 -2.112 1.198 680 2HB ASP 81 HB1 ASP 81 10.182 -1.235 0.164 681 HA PRO 82 HA PRO 82 9.694 -5.272 4.699 682 1HB PRO 82 HB2 PRO 82 11.201 -7.391 4.035 683 2HB PRO 82 HB1 PRO 82 9.551 -7.219 3.397 684 1HG PRO 82 HG2 PRO 82 12.154 -6.549 2.077 685 2HG PRO 82 HG1 PRO 82 10.776 -7.460 1.428 686 1HD PRO 82 HD2 PRO 82 11.174 -4.793 0.906 687 2HD PRO 82 HD1 PRO 82 9.561 -5.545 0.952 688 H ASP 83 HN ASP 83 11.905 -6.613 5.625 689 HA ASP 83 HA ASP 83 13.839 -4.419 6.087 690 1HB ASP 83 HB2 ASP 83 13.465 -7.155 7.344 691 2HB ASP 83 HB1 ASP 83 14.781 -6.061 7.772 692 H SER 84 HN SER 84 14.459 -4.689 3.740 693 HA SER 84 HA SER 84 15.703 -7.018 2.719 694 1HB SER 84 HB2 SER 84 15.075 -5.185 1.263 695 2HB SER 84 HB1 SER 84 16.184 -4.097 2.091 696 HG SER 84 HG SER 84 16.712 -5.580 0.024 697 H TYR 85 HN TYR 85 16.998 -4.345 4.637 698 HA TYR 85 HA TYR 85 19.760 -4.970 4.402 699 1HB TYR 85 HB2 TYR 85 18.939 -2.878 5.424 700 2HB TYR 85 HB1 TYR 85 18.290 -3.797 6.783 701 HD1 TYR 85 HD1 TYR 85 21.273 -2.372 5.265 702 HD2 TYR 85 HD2 TYR 85 19.845 -5.074 8.284 703 HE1 TYR 85 HE1 TYR 85 23.500 -2.331 6.355 704 HE2 TYR 85 HE2 TYR 85 22.072 -5.029 9.376 705 HH TYR 85 HH TYR 85 24.377 -4.546 8.830 706 H ASN 86 HN ASN 86 17.280 -6.227 6.615 707 HA ASN 86 HA ASN 86 19.110 -7.743 8.226 708 1HB ASN 86 HB2 ASN 86 16.135 -8.072 7.760 709 2HB ASN 86 HB1 ASN 86 17.051 -8.941 8.991 710 1HD2 ASN 86 HD21 ASN 86 18.739 -6.250 9.146 711 2HD2 ASN 86 HD22 ASN 86 17.800 -5.301 10.194 712 H MET 87 HN MET 87 18.163 -8.169 5.058 713 HA MET 87 HA MET 87 18.100 -11.094 5.089 714 1HB MET 87 HB2 MET 87 18.321 -9.145 2.780 715 2HB MET 87 HB1 MET 87 18.117 -10.886 2.613 716 1HG MET 87 HG2 MET 87 16.185 -9.243 4.248 717 2HG MET 87 HG1 MET 87 15.988 -9.426 2.506 718 1HE MET 87 HE1 MET 87 13.598 -10.439 3.024 719 2HE MET 87 HE2 MET 87 13.576 -12.159 2.640 720 3HE MET 87 HE3 MET 87 14.477 -11.045 1.614 721 H PHE 88 HN PHE 88 20.093 -11.749 5.962 722 HA PHE 88 HA PHE 88 22.607 -10.749 4.841 723 1HB PHE 88 HB2 PHE 88 23.650 -12.456 6.331 724 2HB PHE 88 HB1 PHE 88 22.557 -11.375 7.191 725 HD1 PHE 88 HD1 PHE 88 23.067 -14.796 5.940 726 HD2 PHE 88 HD2 PHE 88 20.394 -12.153 8.017 727 HE1 PHE 88 HE1 PHE 88 21.755 -16.746 6.734 728 HE2 PHE 88 HE2 PHE 88 19.080 -14.102 8.808 729 HZ PHE 88 HZ PHE 88 19.761 -16.399 8.166 730 H GLU 89 HN GLU 89 20.306 -13.021 3.904 731 HA GLU 89 HA GLU 89 22.063 -15.000 2.706 732 1HB GLU 89 HB2 GLU 89 19.145 -14.309 2.277 733 2HB GLU 89 HB1 GLU 89 19.955 -15.637 1.446 734 1HG GLU 89 HG2 GLU 89 19.907 -15.351 4.460 735 2HG GLU 89 HG1 GLU 89 18.727 -16.305 3.559 736 H ASN 90 HN ASN 90 22.573 -15.205 0.458 737 HA ASN 90 HA ASN 90 22.965 -12.664 -0.908 738 1HB ASN 90 HB2 ASN 90 24.600 -14.517 -1.096 739 2HB ASN 90 HB1 ASN 90 23.380 -15.497 -1.911 740 1HD2 ASN 90 HD21 ASN 90 24.812 -12.191 -2.231 741 2HD2 ASN 90 HD22 ASN 90 24.877 -12.228 -3.928 742 H GLY 91 HN GLY 91 21.568 -11.729 -2.325 743 1HA GLY 91 HA2 GLY 91 19.834 -11.522 -3.904 744 2HA GLY 91 HA1 GLY 91 19.852 -13.278 -4.077 745 H SER 92 HN SER 92 17.970 -10.750 -3.060 746 HA SER 92 HA SER 92 16.758 -11.779 -0.679 747 1HB SER 92 HB2 SER 92 15.003 -10.188 -1.075 748 2HB SER 92 HB1 SER 92 16.495 -9.435 -1.631 749 HG SER 92 HG SER 92 14.301 -9.845 -3.002 750 H PHE 93 HN PHE 93 16.118 -12.304 -4.121 751 HA PHE 93 HA PHE 93 14.516 -14.705 -3.394 752 1HB PHE 93 HB2 PHE 93 12.913 -12.835 -3.778 753 2HB PHE 93 HB1 PHE 93 13.587 -12.622 -5.396 754 HD1 PHE 93 HD1 PHE 93 13.233 -14.297 -7.148 755 HD2 PHE 93 HD2 PHE 93 11.587 -14.809 -3.213 756 HE1 PHE 93 HE1 PHE 93 11.774 -16.115 -7.995 757 HE2 PHE 93 HE2 PHE 93 10.127 -16.627 -4.060 758 HZ PHE 93 HZ PHE 93 10.222 -17.280 -6.451 759 H LEU 94 HN LEU 94 14.547 -16.317 -5.040 760 HA LEU 94 HA LEU 94 16.911 -16.633 -6.508 761 1HB LEU 94 HB2 LEU 94 14.166 -17.721 -7.212 762 2HB LEU 94 HB1 LEU 94 15.703 -18.355 -7.800 763 HG LEU 94 HG LEU 94 14.865 -18.227 -4.887 764 1HD1 LEU 94 HD11 LEU 94 15.129 -20.609 -6.748 765 2HD1 LEU 94 HD12 LEU 94 13.599 -19.875 -6.267 766 3HD1 LEU 94 HD13 LEU 94 14.623 -20.650 -5.059 767 1HD2 LEU 94 HD21 LEU 94 16.907 -19.906 -4.822 768 2HD2 LEU 94 HD22 LEU 94 17.204 -18.172 -4.813 769 3HD2 LEU 94 HD23 LEU 94 17.378 -19.087 -6.311 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -22.121 19.416 2.425 2 2H MET 1 HT2 MET 1 -23.757 19.647 2.028 3 3H MET 1 HT3 MET 1 -22.568 19.713 0.817 4 HA MET 1 HA MET 1 -23.736 17.389 2.163 5 1HB MET 1 HB2 MET 1 -22.831 18.080 -0.646 6 2HB MET 1 HB1 MET 1 -23.431 16.488 -0.180 7 1HG MET 1 HG2 MET 1 -25.553 17.498 0.567 8 2HG MET 1 HG1 MET 1 -24.959 19.093 0.104 9 1HE MET 1 HE1 MET 1 -27.431 18.909 -2.552 10 2HE MET 1 HE2 MET 1 -27.157 19.139 -0.827 11 3HE MET 1 HE3 MET 1 -27.826 17.617 -1.412 12 H LEU 2 HN LEU 2 -22.308 15.391 0.907 13 HA LEU 2 HA LEU 2 -19.814 15.423 2.461 14 1HB LEU 2 HB2 LEU 2 -20.832 13.278 0.580 15 2HB LEU 2 HB1 LEU 2 -19.639 13.085 1.868 16 HG LEU 2 HG LEU 2 -22.563 13.810 2.237 17 1HD1 LEU 2 HD11 LEU 2 -22.839 11.612 3.118 18 2HD1 LEU 2 HD12 LEU 2 -21.098 11.333 3.165 19 3HD1 LEU 2 HD13 LEU 2 -21.938 11.409 1.616 20 1HD2 LEU 2 HD21 LEU 2 -20.216 13.650 4.128 21 2HD2 LEU 2 HD22 LEU 2 -21.850 13.326 4.708 22 3HD2 LEU 2 HD23 LEU 2 -21.459 14.894 4.010 23 H VAL 3 HN VAL 3 -17.734 15.368 1.597 24 HA VAL 3 HA VAL 3 -17.464 15.765 -1.365 25 HB VAL 3 HB VAL 3 -15.704 17.429 -0.913 26 1HG1 VAL 3 HG11 VAL 3 -18.177 18.058 -1.090 27 2HG1 VAL 3 HG12 VAL 3 -17.142 19.235 -0.284 28 3HG1 VAL 3 HG13 VAL 3 -18.173 18.171 0.669 29 1HG2 VAL 3 HG21 VAL 3 -16.495 16.948 1.974 30 2HG2 VAL 3 HG22 VAL 3 -15.481 18.288 1.435 31 3HG2 VAL 3 HG23 VAL 3 -14.920 16.628 1.247 32 H LYS 4 HN LYS 4 -15.293 15.154 -2.160 33 HA LYS 4 HA LYS 4 -14.369 12.713 -0.891 34 1HB LYS 4 HB2 LYS 4 -12.524 13.000 -2.746 35 2HB LYS 4 HB1 LYS 4 -14.178 12.618 -3.214 36 1HG LYS 4 HG2 LYS 4 -14.641 14.878 -3.814 37 2HG LYS 4 HG1 LYS 4 -13.177 15.466 -3.024 38 1HD LYS 4 HD2 LYS 4 -11.797 14.235 -4.662 39 2HD LYS 4 HD1 LYS 4 -13.261 13.653 -5.456 40 1HE LYS 4 HE2 LYS 4 -12.410 16.551 -5.176 41 2HE LYS 4 HE1 LYS 4 -12.389 15.598 -6.660 42 1HZ LYS 4 HZ1 LYS 4 -14.939 15.411 -5.520 43 2HZ LYS 4 HZ2 LYS 4 -14.493 16.130 -6.994 44 3HZ LYS 4 HZ3 LYS 4 -14.512 17.053 -5.569 45 HA PRO 5 HA PRO 5 -11.683 14.907 2.056 46 1HB PRO 5 HB2 PRO 5 -10.211 12.294 1.793 47 2HB PRO 5 HB1 PRO 5 -10.593 13.222 3.262 48 1HG PRO 5 HG2 PRO 5 -12.011 11.077 2.591 49 2HG PRO 5 HG1 PRO 5 -12.790 12.504 3.296 50 1HD PRO 5 HD2 PRO 5 -12.882 11.518 0.481 51 2HD PRO 5 HD1 PRO 5 -14.074 12.483 1.381 52 HA PRO 6 HA PRO 6 -8.473 16.265 -0.747 53 1HB PRO 6 HB2 PRO 6 -6.694 17.387 1.008 54 2HB PRO 6 HB1 PRO 6 -8.248 18.140 0.598 55 1HG PRO 6 HG2 PRO 6 -7.519 16.501 2.988 56 2HG PRO 6 HG1 PRO 6 -8.469 17.995 2.898 57 1HD PRO 6 HD2 PRO 6 -9.642 15.542 3.118 58 2HD PRO 6 HD1 PRO 6 -10.407 16.883 2.236 59 H TYR 7 HN TYR 7 -7.919 13.868 1.652 60 HA TYR 7 HA TYR 7 -5.129 13.381 1.328 61 1HB TYR 7 HB2 TYR 7 -7.300 11.305 1.757 62 2HB TYR 7 HB1 TYR 7 -5.593 11.141 2.158 63 HD1 TYR 7 HD1 TYR 7 -8.732 11.829 3.523 64 HD2 TYR 7 HD2 TYR 7 -4.665 13.202 3.656 65 HE1 TYR 7 HE1 TYR 7 -9.154 12.841 5.739 66 HE2 TYR 7 HE2 TYR 7 -5.082 14.210 5.885 67 HH TYR 7 HH TYR 7 -7.254 15.099 7.125 68 H SER 8 HN SER 8 -4.006 12.409 -0.344 69 HA SER 8 HA SER 8 -5.354 11.970 -2.871 70 1HB SER 8 HB2 SER 8 -3.195 11.418 -3.734 71 2HB SER 8 HB1 SER 8 -2.902 12.658 -2.516 72 HG SER 8 HG SER 8 -2.440 9.887 -2.422 73 H TYR 9 HN TYR 9 -5.319 9.795 -3.997 74 HA TYR 9 HA TYR 9 -6.541 7.781 -2.398 75 1HB TYR 9 HB2 TYR 9 -5.085 7.543 -5.050 76 2HB TYR 9 HB1 TYR 9 -6.054 6.255 -4.331 77 HD1 TYR 9 HD1 TYR 9 -8.509 6.512 -4.077 78 HD2 TYR 9 HD2 TYR 9 -6.111 9.502 -6.021 79 HE1 TYR 9 HE1 TYR 9 -10.551 7.519 -5.045 80 HE2 TYR 9 HE2 TYR 9 -8.159 10.513 -6.987 81 HH TYR 9 HH TYR 9 -10.812 9.199 -7.448 82 H ILE 10 HN ILE 10 -3.181 8.266 -3.412 83 HA ILE 10 HA ILE 10 -2.116 5.838 -2.349 84 HB ILE 10 HB ILE 10 -0.710 8.521 -2.452 85 1HG1 ILE 10 HG12 ILE 10 -1.695 8.226 -4.626 86 2HG1 ILE 10 HG11 ILE 10 -0.004 7.752 -4.765 87 1HG2 ILE 10 HG21 ILE 10 1.290 7.170 -2.755 88 2HG2 ILE 10 HG22 ILE 10 0.324 5.695 -2.811 89 3HG2 ILE 10 HG23 ILE 10 0.439 6.616 -1.311 90 1HD1 ILE 10 HD11 ILE 10 -0.833 5.351 -4.288 91 2HD1 ILE 10 HD12 ILE 10 -1.179 6.031 -5.879 92 3HD1 ILE 10 HD13 ILE 10 -2.442 5.977 -4.651 93 H ALA 11 HN ALA 11 -2.535 9.066 -0.890 94 HA ALA 11 HA ALA 11 -1.351 8.457 1.628 95 1HB ALA 11 HB1 ALA 11 -3.525 10.419 0.848 96 2HB ALA 11 HB2 ALA 11 -1.814 10.755 1.108 97 3HB ALA 11 HB3 ALA 11 -2.847 10.337 2.473 98 H LEU 12 HN LEU 12 -4.757 8.203 0.566 99 HA LEU 12 HA LEU 12 -5.792 7.280 3.056 100 1HB LEU 12 HB2 LEU 12 -6.672 6.704 0.211 101 2HB LEU 12 HB1 LEU 12 -7.609 6.250 1.631 102 HG LEU 12 HG LEU 12 -6.739 9.093 1.027 103 1HD1 LEU 12 HD11 LEU 12 -9.438 7.797 0.547 104 2HD1 LEU 12 HD12 LEU 12 -8.269 8.174 -0.719 105 3HD1 LEU 12 HD13 LEU 12 -9.008 9.475 0.216 106 1HD2 LEU 12 HD21 LEU 12 -8.805 9.457 2.614 107 2HD2 LEU 12 HD22 LEU 12 -7.254 9.021 3.320 108 3HD2 LEU 12 HD23 LEU 12 -8.500 7.793 3.105 109 H ILE 13 HN ILE 13 -4.319 5.557 0.330 110 HA ILE 13 HA ILE 13 -4.720 2.910 1.428 111 HB ILE 13 HB ILE 13 -2.708 3.968 -0.578 112 1HG1 ILE 13 HG12 ILE 13 -5.222 2.342 -1.055 113 2HG1 ILE 13 HG11 ILE 13 -5.214 4.101 -1.100 114 1HG2 ILE 13 HG21 ILE 13 -2.615 1.504 -1.237 115 2HG2 ILE 13 HG22 ILE 13 -3.428 1.158 0.289 116 3HG2 ILE 13 HG23 ILE 13 -1.834 1.913 0.289 117 1HD1 ILE 13 HD11 ILE 13 -3.866 2.156 -2.960 118 2HD1 ILE 13 HD12 ILE 13 -3.228 3.792 -2.797 119 3HD1 ILE 13 HD13 ILE 13 -4.878 3.543 -3.355 120 H THR 14 HN THR 14 -2.087 5.280 1.546 121 HA THR 14 HA THR 14 -0.184 3.637 2.895 122 HB THR 14 HB THR 14 -0.523 6.646 3.008 123 HG1 THR 14 HG1 THR 14 -0.208 5.958 0.918 124 1HG2 THR 14 HG21 THR 14 1.985 6.498 3.475 125 2HG2 THR 14 HG22 THR 14 1.724 4.783 3.791 126 3HG2 THR 14 HG23 THR 14 0.923 5.995 4.790 127 H MET 15 HN MET 15 -2.731 5.786 4.107 128 HA MET 15 HA MET 15 -2.025 5.572 6.883 129 1HB MET 15 HB2 MET 15 -4.634 6.234 5.490 130 2HB MET 15 HB1 MET 15 -4.424 6.314 7.241 131 1HG MET 15 HG2 MET 15 -2.616 7.941 6.981 132 2HG MET 15 HG1 MET 15 -2.728 7.819 5.226 133 1HE MET 15 HE1 MET 15 -2.487 10.199 5.871 134 2HE MET 15 HE2 MET 15 -3.792 11.303 6.291 135 3HE MET 15 HE3 MET 15 -3.669 10.681 4.648 136 H ALA 16 HN ALA 16 -4.155 3.695 4.775 137 HA ALA 16 HA ALA 16 -5.382 2.087 6.767 138 1HB ALA 16 HB1 ALA 16 -6.000 2.209 4.319 139 2HB ALA 16 HB2 ALA 16 -5.921 0.569 4.967 140 3HB ALA 16 HB3 ALA 16 -4.597 1.195 3.981 141 H ILE 17 HN ILE 17 -2.313 1.643 5.001 142 HA ILE 17 HA ILE 17 -1.699 -0.938 6.096 143 HB ILE 17 HB ILE 17 0.195 1.263 5.206 144 1HG1 ILE 17 HG12 ILE 17 -0.854 -1.116 3.651 145 2HG1 ILE 17 HG11 ILE 17 -1.551 0.503 3.542 146 1HG2 ILE 17 HG21 ILE 17 1.417 -0.387 6.448 147 2HG2 ILE 17 HG22 ILE 17 1.670 -0.769 4.745 148 3HG2 ILE 17 HG23 ILE 17 0.521 -1.707 5.696 149 1HD1 ILE 17 HD11 ILE 17 1.331 -0.223 2.928 150 2HD1 ILE 17 HD12 ILE 17 0.642 1.400 2.841 151 3HD1 ILE 17 HD13 ILE 17 0.086 0.144 1.734 152 H GLN 18 HN GLN 18 -0.567 2.313 7.009 153 HA GLN 18 HA GLN 18 0.839 1.477 9.360 154 1HB GLN 18 HB2 GLN 18 -0.391 4.143 8.604 155 2HB GLN 18 HB1 GLN 18 0.590 3.905 10.049 156 1HG GLN 18 HG2 GLN 18 2.466 3.125 8.640 157 2HG GLN 18 HG1 GLN 18 1.485 3.391 7.198 158 1HE2 GLN 18 HE21 GLN 18 0.793 5.698 6.779 159 2HE2 GLN 18 HE22 GLN 18 1.761 6.965 7.361 160 H ASN 19 HN ASN 19 -2.496 2.580 8.843 161 HA ASN 19 HA ASN 19 -3.210 2.602 11.638 162 1HB ASN 19 HB2 ASN 19 -4.867 2.440 9.107 163 2HB ASN 19 HB1 ASN 19 -5.571 2.565 10.719 164 1HD2 ASN 19 HD21 ASN 19 -2.944 4.292 11.312 165 2HD2 ASN 19 HD22 ASN 19 -3.411 5.828 10.764 166 H ALA 20 HN ALA 20 -2.902 0.063 9.288 167 HA ALA 20 HA ALA 20 -4.651 -1.792 10.709 168 1HB ALA 20 HB1 ALA 20 -3.877 -3.441 9.118 169 2HB ALA 20 HB2 ALA 20 -2.487 -2.444 8.687 170 3HB ALA 20 HB3 ALA 20 -4.114 -1.931 8.238 171 HA PRO 21 HA PRO 21 -1.625 -3.010 13.749 172 1HB PRO 21 HB2 PRO 21 -2.384 -5.621 14.215 173 2HB PRO 21 HB1 PRO 21 -3.264 -4.218 14.850 174 1HG PRO 21 HG2 PRO 21 -3.869 -5.898 12.457 175 2HG PRO 21 HG1 PRO 21 -4.973 -5.236 13.675 176 1HD PRO 21 HD2 PRO 21 -4.671 -4.088 11.225 177 2HD PRO 21 HD1 PRO 21 -5.023 -3.127 12.679 178 H GLU 22 HN GLU 22 -2.255 -5.469 11.252 179 HA GLU 22 HA GLU 22 0.664 -6.115 11.163 180 1HB GLU 22 HB2 GLU 22 -1.795 -7.584 10.169 181 2HB GLU 22 HB1 GLU 22 -0.150 -8.074 9.758 182 1HG GLU 22 HG2 GLU 22 0.393 -8.356 12.123 183 2HG GLU 22 HG1 GLU 22 -1.206 -7.773 12.587 184 H LYS 23 HN LYS 23 1.781 -5.174 9.523 185 HA LYS 23 HA LYS 23 0.554 -3.468 7.615 186 1HB LYS 23 HB2 LYS 23 3.290 -4.765 7.602 187 2HB LYS 23 HB1 LYS 23 2.789 -3.501 6.475 188 1HG LYS 23 HG2 LYS 23 2.306 -1.997 8.369 189 2HG LYS 23 HG1 LYS 23 2.809 -3.254 9.498 190 1HD LYS 23 HD2 LYS 23 5.069 -3.244 8.486 191 2HD LYS 23 HD1 LYS 23 4.557 -1.960 7.388 192 1HE LYS 23 HE2 LYS 23 3.988 -0.564 9.405 193 2HE LYS 23 HE1 LYS 23 4.732 -1.811 10.406 194 1HZ LYS 23 HZ1 LYS 23 6.688 -0.897 9.996 195 2HZ LYS 23 HZ2 LYS 23 5.981 0.257 8.968 196 3HZ LYS 23 HZ3 LYS 23 6.506 -1.233 8.344 197 H LYS 24 HN LYS 24 1.226 -6.920 7.473 198 HA LYS 24 HA LYS 24 0.817 -7.047 4.577 199 1HB LYS 24 HB2 LYS 24 0.825 -9.242 6.680 200 2HB LYS 24 HB1 LYS 24 0.780 -9.514 4.936 201 1HG LYS 24 HG2 LYS 24 2.932 -8.333 4.692 202 2HG LYS 24 HG1 LYS 24 2.983 -8.064 6.435 203 1HD LYS 24 HD2 LYS 24 2.980 -10.500 6.818 204 2HD LYS 24 HD1 LYS 24 2.931 -10.776 5.077 205 1HE LYS 24 HE2 LYS 24 5.092 -9.678 4.799 206 2HE LYS 24 HE1 LYS 24 5.132 -9.263 6.513 207 1HZ LYS 24 HZ1 LYS 24 4.771 -12.075 5.798 208 2HZ LYS 24 HZ2 LYS 24 5.589 -11.387 7.118 209 3HZ LYS 24 HZ3 LYS 24 6.313 -11.403 5.582 210 H ILE 25 HN ILE 25 -1.217 -6.008 4.332 211 HA ILE 25 HA ILE 25 -3.594 -7.501 5.399 212 HB ILE 25 HB ILE 25 -3.503 -5.171 6.170 213 1HG1 ILE 25 HG12 ILE 25 -5.542 -5.421 3.938 214 2HG1 ILE 25 HG11 ILE 25 -5.693 -6.248 5.489 215 1HG2 ILE 25 HG21 ILE 25 -3.484 -3.321 4.584 216 2HG2 ILE 25 HG22 ILE 25 -3.496 -4.445 3.225 217 3HG2 ILE 25 HG23 ILE 25 -2.085 -4.350 4.280 218 1HD1 ILE 25 HD11 ILE 25 -5.780 -4.162 6.683 219 2HD1 ILE 25 HD12 ILE 25 -6.915 -4.032 5.339 220 3HD1 ILE 25 HD13 ILE 25 -5.338 -3.251 5.239 221 H THR 26 HN THR 26 -5.310 -7.909 3.898 222 HA THR 26 HA THR 26 -4.378 -8.356 1.164 223 HB THR 26 HB THR 26 -6.568 -9.400 0.824 224 HG1 THR 26 HG1 THR 26 -7.484 -7.681 2.351 225 1HG2 THR 26 HG21 THR 26 -6.538 -10.937 2.915 226 2HG2 THR 26 HG22 THR 26 -5.117 -10.015 3.395 227 3HG2 THR 26 HG23 THR 26 -5.114 -10.916 1.878 228 H LEU 27 HN LEU 27 -5.564 -7.574 -0.721 229 HA LEU 27 HA LEU 27 -5.920 -4.756 -0.740 230 1HB LEU 27 HB2 LEU 27 -5.338 -6.097 -2.726 231 2HB LEU 27 HB1 LEU 27 -6.916 -6.870 -2.682 232 HG LEU 27 HG LEU 27 -8.029 -4.781 -3.216 233 1HD1 LEU 27 HD11 LEU 27 -6.451 -2.771 -3.746 234 2HD1 LEU 27 HD12 LEU 27 -5.299 -3.607 -2.705 235 3HD1 LEU 27 HD13 LEU 27 -6.861 -3.097 -2.064 236 1HD2 LEU 27 HD21 LEU 27 -6.767 -4.209 -5.391 237 2HD2 LEU 27 HD22 LEU 27 -7.304 -5.873 -5.185 238 3HD2 LEU 27 HD23 LEU 27 -5.616 -5.449 -4.910 239 H ASN 28 HN ASN 28 -8.241 -7.423 -0.570 240 HA ASN 28 HA ASN 28 -10.645 -5.918 -0.695 241 1HB ASN 28 HB2 ASN 28 -9.975 -8.510 0.709 242 2HB ASN 28 HB1 ASN 28 -11.613 -7.869 0.591 243 1HD2 ASN 28 HD21 ASN 28 -10.137 -10.290 -0.728 244 2HD2 ASN 28 HD22 ASN 28 -10.537 -10.139 -2.371 245 H GLY 29 HN GLY 29 -8.578 -6.761 2.066 246 1HA GLY 29 HA2 GLY 29 -10.281 -5.782 4.122 247 2HA GLY 29 HA1 GLY 29 -8.532 -5.932 4.253 248 H ILE 30 HN ILE 30 -7.816 -4.105 2.175 249 HA ILE 30 HA ILE 30 -7.843 -1.663 3.625 250 HB ILE 30 HB ILE 30 -7.308 -2.156 0.683 251 1HG1 ILE 30 HG12 ILE 30 -5.393 -1.693 2.988 252 2HG1 ILE 30 HG11 ILE 30 -5.850 -3.298 2.420 253 1HG2 ILE 30 HG21 ILE 30 -6.046 0.048 0.926 254 2HG2 ILE 30 HG22 ILE 30 -6.903 0.271 2.451 255 3HG2 ILE 30 HG23 ILE 30 -7.805 0.183 0.937 256 1HD1 ILE 30 HD11 ILE 30 -3.691 -2.309 1.444 257 2HD1 ILE 30 HD12 ILE 30 -4.733 -1.204 0.550 258 3HD1 ILE 30 HD13 ILE 30 -4.860 -2.943 0.288 259 H TYR 31 HN TYR 31 -9.950 -2.747 0.943 260 HA TYR 31 HA TYR 31 -11.255 -0.254 0.531 261 1HB TYR 31 HB2 TYR 31 -12.142 -3.112 0.184 262 2HB TYR 31 HB1 TYR 31 -13.258 -1.795 -0.131 263 HD1 TYR 31 HD1 TYR 31 -12.033 0.228 -1.546 264 HD2 TYR 31 HD2 TYR 31 -11.053 -3.944 -1.699 265 HE1 TYR 31 HE1 TYR 31 -11.052 0.540 -3.787 266 HE2 TYR 31 HE2 TYR 31 -10.070 -3.631 -3.945 267 HH TYR 31 HH TYR 31 -10.686 -1.295 -5.883 268 H GLN 32 HN GLN 32 -12.048 -2.901 2.778 269 HA GLN 32 HA GLN 32 -14.442 -1.752 3.796 270 1HB GLN 32 HB2 GLN 32 -12.388 -3.570 5.073 271 2HB GLN 32 HB1 GLN 32 -13.920 -3.155 5.844 272 1HG GLN 32 HG2 GLN 32 -15.175 -4.134 4.023 273 2HG GLN 32 HG1 GLN 32 -13.706 -4.376 3.079 274 1HE2 GLN 32 HE21 GLN 32 -15.435 -6.565 3.771 275 2HE2 GLN 32 HE22 GLN 32 -14.596 -7.585 4.836 276 H PHE 33 HN PHE 33 -11.066 -1.321 4.727 277 HA PHE 33 HA PHE 33 -11.443 0.262 7.049 278 1HB PHE 33 HB2 PHE 33 -9.295 -0.747 6.313 279 2HB PHE 33 HB1 PHE 33 -9.220 0.420 4.996 280 HD1 PHE 33 HD1 PHE 33 -8.785 2.794 5.431 281 HD2 PHE 33 HD2 PHE 33 -8.942 -0.076 8.624 282 HE1 PHE 33 HE1 PHE 33 -7.701 4.426 6.952 283 HE2 PHE 33 HE2 PHE 33 -7.863 1.557 10.145 284 HZ PHE 33 HZ PHE 33 -7.240 3.804 9.309 285 H ILE 34 HN ILE 34 -10.936 1.342 3.658 286 HA ILE 34 HA ILE 34 -11.115 4.128 4.224 287 HB ILE 34 HB ILE 34 -11.688 2.583 1.686 288 1HG1 ILE 34 HG12 ILE 34 -9.335 4.324 2.473 289 2HG1 ILE 34 HG11 ILE 34 -9.361 2.575 2.697 290 1HG2 ILE 34 HG21 ILE 34 -11.582 5.558 2.237 291 2HG2 ILE 34 HG22 ILE 34 -12.855 4.654 1.416 292 3HG2 ILE 34 HG23 ILE 34 -11.296 4.894 0.629 293 1HD1 ILE 34 HD11 ILE 34 -9.699 2.249 0.289 294 2HD1 ILE 34 HD12 ILE 34 -8.251 3.214 0.571 295 3HD1 ILE 34 HD13 ILE 34 -9.742 3.996 0.044 296 H MET 35 HN MET 35 -13.691 1.899 3.075 297 HA MET 35 HA MET 35 -15.709 3.893 2.934 298 1HB MET 35 HB2 MET 35 -15.904 0.923 3.480 299 2HB MET 35 HB1 MET 35 -17.314 1.957 3.254 300 1HG MET 35 HG2 MET 35 -16.446 2.638 1.035 301 2HG MET 35 HG1 MET 35 -15.066 1.564 1.255 302 1HE MET 35 HE1 MET 35 -15.249 -0.587 -0.337 303 2HE MET 35 HE2 MET 35 -16.138 -1.837 0.531 304 3HE MET 35 HE3 MET 35 -15.039 -0.777 1.408 305 H ASP 36 HN ASP 36 -14.655 1.883 5.678 306 HA ASP 36 HA ASP 36 -16.718 2.754 7.473 307 1HB ASP 36 HB2 ASP 36 -13.938 1.662 7.952 308 2HB ASP 36 HB1 ASP 36 -15.083 1.989 9.253 309 H ARG 37 HN ARG 37 -13.360 3.924 7.009 310 HA ARG 37 HA ARG 37 -13.612 5.978 9.014 311 1HB ARG 37 HB2 ARG 37 -11.417 5.124 8.310 312 2HB ARG 37 HB1 ARG 37 -11.664 5.804 6.700 313 1HG ARG 37 HG2 ARG 37 -11.660 8.042 7.540 314 2HG ARG 37 HG1 ARG 37 -11.792 7.490 9.207 315 1HD ARG 37 HD2 ARG 37 -9.428 6.682 7.520 316 2HD ARG 37 HD1 ARG 37 -9.456 8.245 8.342 317 HE ARG 37 HE ARG 37 -10.121 6.487 10.352 318 1HH1 ARG 37 HH21 ARG 37 -7.632 6.658 7.972 319 2HH1 ARG 37 HH22 ARG 37 -6.438 5.904 8.975 320 1HH2 ARG 37 HH11 ARG 37 -8.581 5.499 11.674 321 2HH2 ARG 37 HH12 ARG 37 -6.977 5.243 11.072 322 H PHE 38 HN PHE 38 -14.037 6.010 5.478 323 HA PHE 38 HA PHE 38 -15.242 8.752 5.754 324 1HB PHE 38 HB2 PHE 38 -13.722 7.687 3.357 325 2HB PHE 38 HB1 PHE 38 -14.354 9.316 3.573 326 HD1 PHE 38 HD1 PHE 38 -13.439 10.731 5.502 327 HD2 PHE 38 HD2 PHE 38 -11.579 7.094 4.171 328 HE1 PHE 38 HE1 PHE 38 -11.325 11.406 6.610 329 HE2 PHE 38 HE2 PHE 38 -9.467 7.769 5.282 330 HZ PHE 38 HZ PHE 38 -9.339 9.924 6.501 331 HA PRO 39 HA PRO 39 -18.474 5.628 4.357 332 1HB PRO 39 HB2 PRO 39 -19.992 8.005 5.407 333 2HB PRO 39 HB1 PRO 39 -20.361 6.275 5.569 334 1HG PRO 39 HG2 PRO 39 -19.289 7.602 7.589 335 2HG PRO 39 HG1 PRO 39 -18.751 5.954 7.209 336 1HD PRO 39 HD2 PRO 39 -17.345 8.550 6.719 337 2HD PRO 39 HD1 PRO 39 -16.663 6.949 7.081 338 H PHE 40 HN PHE 40 -17.424 8.693 3.350 339 HA PHE 40 HA PHE 40 -19.438 9.513 1.528 340 1HB PHE 40 HB2 PHE 40 -17.698 11.055 1.946 341 2HB PHE 40 HB1 PHE 40 -16.441 9.857 1.659 342 HD1 PHE 40 HD1 PHE 40 -15.406 9.725 -0.450 343 HD2 PHE 40 HD2 PHE 40 -19.210 11.697 -0.072 344 HE1 PHE 40 HE1 PHE 40 -15.262 10.464 -2.813 345 HE2 PHE 40 HE2 PHE 40 -19.060 12.436 -2.435 346 HZ PHE 40 HZ PHE 40 -17.086 11.820 -3.805 347 H TYR 41 HN TYR 41 -16.766 7.209 1.165 348 HA TYR 41 HA TYR 41 -17.202 6.731 -1.634 349 1HB TYR 41 HB2 TYR 41 -15.769 5.130 0.489 350 2HB TYR 41 HB1 TYR 41 -15.749 4.732 -1.232 351 HD1 TYR 41 HD1 TYR 41 -14.650 7.116 1.324 352 HD2 TYR 41 HD2 TYR 41 -14.703 6.231 -2.869 353 HE1 TYR 41 HE1 TYR 41 -12.932 8.859 0.938 354 HE2 TYR 41 HE2 TYR 41 -12.973 7.954 -3.266 355 HH TYR 41 HH TYR 41 -11.481 9.326 -2.268 356 H ARG 42 HN ARG 42 -18.768 5.439 1.224 357 HA ARG 42 HA ARG 42 -19.720 2.983 0.120 358 1HB ARG 42 HB2 ARG 42 -20.958 4.885 2.129 359 2HB ARG 42 HB1 ARG 42 -21.658 3.319 1.729 360 1HG ARG 42 HG2 ARG 42 -19.572 2.208 2.424 361 2HG ARG 42 HG1 ARG 42 -18.872 3.773 2.833 362 1HD ARG 42 HD2 ARG 42 -20.589 4.153 4.513 363 2HD ARG 42 HD1 ARG 42 -21.419 2.670 4.065 364 HE ARG 42 HE ARG 42 -19.167 2.959 5.867 365 1HH1 ARG 42 HH21 ARG 42 -20.464 0.892 3.430 366 2HH1 ARG 42 HH22 ARG 42 -19.482 -0.462 3.883 367 1HH2 ARG 42 HH11 ARG 42 -17.892 1.212 6.464 368 2HH2 ARG 42 HH12 ARG 42 -18.033 -0.281 5.599 369 H GLU 43 HN GLU 43 -20.953 6.294 -0.060 370 HA GLU 43 HA GLU 43 -23.352 5.650 -1.487 371 1HB GLU 43 HB2 GLU 43 -22.951 7.800 -0.276 372 2HB GLU 43 HB1 GLU 43 -21.793 8.241 -1.531 373 1HG GLU 43 HG2 GLU 43 -23.565 8.077 -3.235 374 2HG GLU 43 HG1 GLU 43 -24.729 7.631 -1.985 375 H ASN 44 HN ASN 44 -20.106 6.444 -2.484 376 HA ASN 44 HA ASN 44 -20.869 6.077 -5.359 377 1HB ASN 44 HB2 ASN 44 -18.464 7.407 -4.084 378 2HB ASN 44 HB1 ASN 44 -18.689 7.206 -5.822 379 1HD2 ASN 44 HD21 ASN 44 -21.197 7.931 -6.404 380 2HD2 ASN 44 HD22 ASN 44 -21.587 9.475 -5.814 381 H LYS 45 HN LYS 45 -20.397 4.141 -6.191 382 HA LYS 45 HA LYS 45 -17.998 2.625 -5.205 383 1HB LYS 45 HB2 LYS 45 -20.642 1.650 -6.320 384 2HB LYS 45 HB1 LYS 45 -19.263 0.606 -5.994 385 1HG LYS 45 HG2 LYS 45 -19.333 1.257 -3.611 386 2HG LYS 45 HG1 LYS 45 -20.723 2.294 -3.939 387 1HD LYS 45 HD2 LYS 45 -22.008 0.333 -4.710 388 2HD LYS 45 HD1 LYS 45 -20.623 -0.707 -4.379 389 1HE LYS 45 HE2 LYS 45 -22.155 -0.841 -2.499 390 2HE LYS 45 HE1 LYS 45 -20.713 0.036 -1.984 391 1HZ LYS 45 HZ1 LYS 45 -22.836 1.096 -1.318 392 2HZ LYS 45 HZ2 LYS 45 -23.191 1.344 -2.962 393 3HZ LYS 45 HZ3 LYS 45 -21.842 2.099 -2.257 394 H GLN 46 HN GLN 46 -18.739 4.640 -7.491 395 HA GLN 46 HA GLN 46 -18.667 3.316 -9.968 396 1HB GLN 46 HB2 GLN 46 -17.691 6.065 -9.182 397 2HB GLN 46 HB1 GLN 46 -17.792 5.510 -10.855 398 1HG GLN 46 HG2 GLN 46 -20.176 5.153 -10.664 399 2HG GLN 46 HG1 GLN 46 -20.132 5.481 -8.931 400 1HE2 GLN 46 HE21 GLN 46 -21.734 7.005 -10.844 401 2HE2 GLN 46 HE22 GLN 46 -21.145 8.597 -10.833 402 H GLY 47 HN GLY 47 -16.050 5.311 -10.317 403 1HA GLY 47 HA2 GLY 47 -14.309 2.997 -10.814 404 2HA GLY 47 HA1 GLY 47 -13.987 4.659 -11.284 405 H TRP 48 HN TRP 48 -14.706 5.140 -8.151 406 HA TRP 48 HA TRP 48 -11.965 5.444 -7.414 407 1HB TRP 48 HB2 TRP 48 -12.715 6.160 -5.324 408 2HB TRP 48 HB1 TRP 48 -14.135 6.458 -6.317 409 HD1 TRP 48 HD1 TRP 48 -16.265 4.996 -5.897 410 HE1 TRP 48 HE1 TRP 48 -16.943 3.387 -3.999 411 HE3 TRP 48 HE3 TRP 48 -11.738 4.342 -3.621 412 HZ2 TRP 48 HZ2 TRP 48 -15.736 2.011 -1.803 413 HZ3 TRP 48 HZ3 TRP 48 -11.534 2.884 -1.629 414 HH2 TRP 48 HH2 TRP 48 -13.528 1.720 -0.715 415 H GLN 49 HN GLN 49 -14.265 2.825 -6.993 416 HA GLN 49 HA GLN 49 -12.724 1.170 -5.272 417 1HB GLN 49 HB2 GLN 49 -15.091 0.739 -5.814 418 2HB GLN 49 HB1 GLN 49 -14.651 0.389 -7.484 419 1HG GLN 49 HG2 GLN 49 -13.358 -1.540 -6.808 420 2HG GLN 49 HG1 GLN 49 -13.560 -1.137 -5.102 421 1HE2 GLN 49 HE21 GLN 49 -15.746 -1.579 -7.959 422 2HE2 GLN 49 HE22 GLN 49 -16.888 -2.509 -7.116 423 H ASN 50 HN ASN 50 -12.889 1.209 -8.849 424 HA ASN 50 HA ASN 50 -10.842 -0.799 -9.168 425 1HB ASN 50 HB2 ASN 50 -11.993 1.279 -11.047 426 2HB ASN 50 HB1 ASN 50 -10.819 0.061 -11.551 427 1HD2 ASN 50 HD21 ASN 50 -12.596 -1.357 -9.115 428 2HD2 ASN 50 HD22 ASN 50 -13.784 -2.130 -10.049 429 H SER 51 HN SER 51 -10.755 2.765 -9.207 430 HA SER 51 HA SER 51 -8.113 3.107 -10.127 431 1HB SER 51 HB2 SER 51 -8.175 5.295 -9.065 432 2HB SER 51 HB1 SER 51 -9.747 4.949 -9.778 433 HG SER 51 HG SER 51 -9.656 5.767 -7.518 434 H ILE 52 HN ILE 52 -9.228 2.289 -6.857 435 HA ILE 52 HA ILE 52 -6.769 2.773 -5.507 436 HB ILE 52 HB ILE 52 -8.979 0.774 -5.009 437 1HG1 ILE 52 HG12 ILE 52 -9.556 3.171 -4.777 438 2HG1 ILE 52 HG11 ILE 52 -9.647 2.322 -3.241 439 1HG2 ILE 52 HG21 ILE 52 -7.081 -0.201 -3.951 440 2HG2 ILE 52 HG22 ILE 52 -7.978 0.626 -2.679 441 3HG2 ILE 52 HG23 ILE 52 -6.524 1.362 -3.352 442 1HD1 ILE 52 HD11 ILE 52 -8.511 4.246 -2.629 443 2HD1 ILE 52 HD12 ILE 52 -7.672 4.376 -4.168 444 3HD1 ILE 52 HD13 ILE 52 -7.151 3.187 -2.980 445 H ARG 53 HN ARG 53 -7.959 -0.166 -7.129 446 HA ARG 53 HA ARG 53 -5.545 -1.679 -6.592 447 1HB ARG 53 HB2 ARG 53 -7.375 -2.330 -8.897 448 2HB ARG 53 HB1 ARG 53 -6.587 -3.420 -7.752 449 1HG ARG 53 HG2 ARG 53 -8.061 -2.379 -5.956 450 2HG ARG 53 HG1 ARG 53 -8.957 -1.620 -7.272 451 1HD ARG 53 HD2 ARG 53 -9.294 -3.911 -8.257 452 2HD ARG 53 HD1 ARG 53 -8.616 -4.580 -6.764 453 HE ARG 53 HE ARG 53 -10.625 -2.899 -5.876 454 1HH1 ARG 53 HH21 ARG 53 -10.351 -5.466 -8.158 455 2HH1 ARG 53 HH22 ARG 53 -11.978 -6.017 -7.938 456 1HH2 ARG 53 HH11 ARG 53 -12.753 -3.604 -5.570 457 2HH2 ARG 53 HH12 ARG 53 -13.338 -4.964 -6.468 458 H HIS 54 HN HIS 54 -6.729 0.207 -9.353 459 HA HIS 54 HA HIS 54 -4.726 -0.521 -11.222 460 1HB HIS 54 HB2 HIS 54 -6.832 0.813 -11.675 461 2HB HIS 54 HB1 HIS 54 -6.008 2.213 -10.989 462 HD1 HIS 54 HD1 HIS 54 -4.623 3.546 -12.588 463 HD2 HIS 54 HD2 HIS 54 -5.277 -0.329 -13.980 464 HE1 HIS 54 HE1 HIS 54 -3.630 3.443 -14.915 465 H ASN 55 HN ASN 55 -4.708 2.036 -8.728 466 HA ASN 55 HA ASN 55 -2.126 3.049 -9.586 467 1HB ASN 55 HB2 ASN 55 -2.184 4.383 -7.530 468 2HB ASN 55 HB1 ASN 55 -3.737 4.469 -8.361 469 1HD2 ASN 55 HD21 ASN 55 -5.071 4.785 -6.514 470 2HD2 ASN 55 HD22 ASN 55 -5.222 3.639 -5.272 471 H LEU 56 HN LEU 56 -3.137 0.468 -7.423 472 HA LEU 56 HA LEU 56 -0.728 0.347 -5.888 473 1HB LEU 56 HB2 LEU 56 -2.767 -1.758 -6.590 474 2HB LEU 56 HB1 LEU 56 -1.354 -2.133 -5.609 475 HG LEU 56 HG LEU 56 -3.380 0.028 -4.951 476 1HD1 LEU 56 HD11 LEU 56 -4.331 -1.477 -3.363 477 2HD1 LEU 56 HD12 LEU 56 -3.011 -2.629 -3.556 478 3HD1 LEU 56 HD13 LEU 56 -4.183 -2.406 -4.854 479 1HD2 LEU 56 HD21 LEU 56 -2.152 -0.462 -2.612 480 2HD2 LEU 56 HD22 LEU 56 -1.517 0.711 -3.757 481 3HD2 LEU 56 HD23 LEU 56 -0.827 -0.909 -3.686 482 H SER 57 HN SER 57 -1.635 -1.223 -8.955 483 HA SER 57 HA SER 57 0.834 -2.699 -9.171 484 1HB SER 57 HB2 SER 57 0.133 -3.210 -11.414 485 2HB SER 57 HB1 SER 57 -1.316 -3.200 -10.413 486 HG SER 57 HG SER 57 -1.936 -1.870 -11.957 487 H LEU 58 HN LEU 58 -0.225 0.465 -10.438 488 HA LEU 58 HA LEU 58 2.188 0.906 -11.955 489 1HB LEU 58 HB2 LEU 58 0.142 2.833 -10.838 490 2HB LEU 58 HB1 LEU 58 1.463 3.319 -11.898 491 HG LEU 58 HG LEU 58 -0.569 1.191 -12.609 492 1HD1 LEU 58 HD11 LEU 58 -0.519 4.162 -13.172 493 2HD1 LEU 58 HD12 LEU 58 -1.813 3.220 -12.430 494 3HD1 LEU 58 HD13 LEU 58 -1.459 3.033 -14.147 495 1HD2 LEU 58 HD21 LEU 58 1.236 0.821 -14.036 496 2HD2 LEU 58 HD22 LEU 58 1.718 2.517 -14.049 497 3HD2 LEU 58 HD23 LEU 58 0.316 1.989 -14.976 498 H ASN 59 HN ASN 59 1.167 1.768 -8.664 499 HA ASN 59 HA ASN 59 3.617 3.239 -8.108 500 1HB ASN 59 HB2 ASN 59 1.410 2.151 -6.342 501 2HB ASN 59 HB1 ASN 59 2.802 3.028 -5.703 502 1HD2 ASN 59 HD21 ASN 59 3.136 4.996 -7.715 503 2HD2 ASN 59 HD22 ASN 59 1.772 6.006 -7.735 504 H GLU 60 HN GLU 60 5.535 2.269 -7.838 505 HA GLU 60 HA GLU 60 5.666 -0.614 -7.212 506 1HB GLU 60 HB2 GLU 60 7.848 1.403 -7.830 507 2HB GLU 60 HB1 GLU 60 8.070 -0.341 -7.695 508 1HG GLU 60 HG2 GLU 60 6.496 -0.695 -9.560 509 2HG GLU 60 HG1 GLU 60 6.267 1.048 -9.704 510 H CYS 61 HN CYS 61 5.541 2.254 -5.488 511 HA CYS 61 HA CYS 61 7.504 1.885 -3.456 512 1HB CYS 61 HB2 CYS 61 4.769 3.182 -3.387 513 2HB CYS 61 HB1 CYS 61 5.898 3.239 -2.034 514 HG CYS 61 HG CYS 61 6.405 5.351 -3.444 515 H PHE 62 HN PHE 62 4.196 0.627 -3.786 516 HA PHE 62 HA PHE 62 4.394 -0.806 -1.216 517 1HB PHE 62 HB2 PHE 62 2.259 -1.000 -3.367 518 2HB PHE 62 HB1 PHE 62 2.142 -1.592 -1.711 519 HD1 PHE 62 HD1 PHE 62 2.465 0.138 0.196 520 HD2 PHE 62 HD2 PHE 62 1.577 1.198 -3.870 521 HE1 PHE 62 HE1 PHE 62 1.647 2.354 0.952 522 HE2 PHE 62 HE2 PHE 62 0.762 3.414 -3.115 523 HZ PHE 62 HZ PHE 62 0.798 3.993 -0.704 524 H VAL 63 HN VAL 63 4.569 -3.084 -1.049 525 HA VAL 63 HA VAL 63 5.501 -4.480 -3.544 526 HB VAL 63 HB VAL 63 6.232 -5.099 -0.669 527 1HG1 VAL 63 HG11 VAL 63 6.374 -6.924 -2.456 528 2HG1 VAL 63 HG12 VAL 63 7.874 -6.565 -1.602 529 3HG1 VAL 63 HG13 VAL 63 7.613 -5.934 -3.227 530 1HG2 VAL 63 HG21 VAL 63 7.719 -3.523 -2.791 531 2HG2 VAL 63 HG22 VAL 63 8.431 -4.067 -1.273 532 3HG2 VAL 63 HG23 VAL 63 7.108 -2.901 -1.258 533 H LYS 64 HN LYS 64 4.181 -6.105 -4.195 534 HA LYS 64 HA LYS 64 1.979 -6.987 -2.479 535 1HB LYS 64 HB2 LYS 64 1.578 -6.763 -4.869 536 2HB LYS 64 HB1 LYS 64 2.893 -7.878 -5.232 537 1HG LYS 64 HG2 LYS 64 1.711 -9.745 -4.445 538 2HG LYS 64 HG1 LYS 64 0.619 -8.768 -3.466 539 1HD LYS 64 HD2 LYS 64 -0.430 -9.717 -5.555 540 2HD LYS 64 HD1 LYS 64 -0.534 -7.963 -5.425 541 1HE LYS 64 HE2 LYS 64 0.184 -8.889 -7.701 542 2HE LYS 64 HE1 LYS 64 1.213 -7.638 -7.010 543 1HZ LYS 64 HZ1 LYS 64 2.606 -9.383 -7.774 544 2HZ LYS 64 HZ2 LYS 64 1.679 -10.568 -6.985 545 3HZ LYS 64 HZ3 LYS 64 2.600 -9.463 -6.081 546 H VAL 65 HN VAL 65 2.021 -8.742 -1.176 547 HA VAL 65 HA VAL 65 4.413 -10.547 -1.293 548 HB VAL 65 HB VAL 65 2.564 -10.009 1.040 549 1HG1 VAL 65 HG11 VAL 65 5.346 -11.209 0.910 550 2HG1 VAL 65 HG12 VAL 65 3.862 -12.152 1.046 551 3HG1 VAL 65 HG13 VAL 65 4.334 -11.056 2.346 552 1HG2 VAL 65 HG21 VAL 65 5.282 -8.820 0.394 553 2HG2 VAL 65 HG22 VAL 65 4.370 -8.551 1.880 554 3HG2 VAL 65 HG23 VAL 65 3.748 -7.951 0.343 555 HA PRO 66 HA PRO 66 1.037 -13.342 -2.771 556 1HB PRO 66 HB2 PRO 66 3.410 -15.178 -2.797 557 2HB PRO 66 HB1 PRO 66 2.164 -14.931 -4.035 558 1HG PRO 66 HG2 PRO 66 4.602 -13.907 -4.316 559 2HG PRO 66 HG1 PRO 66 3.165 -13.016 -4.849 560 1HD PRO 66 HD2 PRO 66 4.879 -12.551 -2.438 561 2HD PRO 66 HD1 PRO 66 3.997 -11.376 -3.438 562 H ARG 67 HN ARG 67 0.311 -15.525 -1.944 563 HA ARG 67 HA ARG 67 0.966 -15.847 0.968 564 1HB ARG 67 HB2 ARG 67 -1.389 -15.163 0.316 565 2HB ARG 67 HB1 ARG 67 -1.548 -16.735 -0.466 566 1HG ARG 67 HG2 ARG 67 -1.155 -17.887 1.620 567 2HG ARG 67 HG1 ARG 67 -0.786 -16.375 2.447 568 1HD ARG 67 HD2 ARG 67 -3.160 -15.638 1.723 569 2HD ARG 67 HD1 ARG 67 -3.456 -17.343 1.409 570 HE ARG 67 HE ARG 67 -3.525 -16.063 3.954 571 1HH1 ARG 67 HH21 ARG 67 -2.228 -18.899 2.464 572 2HH1 ARG 67 HH22 ARG 67 -1.959 -19.706 3.969 573 1HH2 ARG 67 HH11 ARG 67 -3.219 -17.127 5.897 574 2HH2 ARG 67 HH12 ARG 67 -2.541 -18.721 5.904 575 H ASP 68 HN ASP 68 0.866 -18.131 1.759 576 HA ASP 68 HA ASP 68 2.361 -19.886 0.023 577 1HB ASP 68 HB2 ASP 68 1.005 -20.293 2.695 578 2HB ASP 68 HB1 ASP 68 1.873 -21.589 1.872 579 H ASP 69 HN ASP 69 1.674 -21.793 -1.008 580 HA ASP 69 HA ASP 69 -1.087 -21.748 -1.949 581 1HB ASP 69 HB2 ASP 69 1.075 -23.818 -2.432 582 2HB ASP 69 HB1 ASP 69 -0.398 -23.597 -3.377 583 H LYS 70 HN LYS 70 0.598 -23.289 0.616 584 HA LYS 70 HA LYS 70 -0.839 -25.729 0.841 585 1HB LYS 70 HB2 LYS 70 0.344 -23.963 3.006 586 2HB LYS 70 HB1 LYS 70 -0.185 -25.631 3.244 587 1HG LYS 70 HG2 LYS 70 1.405 -26.388 1.516 588 2HG LYS 70 HG1 LYS 70 1.937 -24.725 1.276 589 1HD LYS 70 HD2 LYS 70 2.700 -24.627 3.620 590 2HD LYS 70 HD1 LYS 70 2.170 -26.294 3.861 591 1HE LYS 70 HE2 LYS 70 4.613 -26.135 3.369 592 2HE LYS 70 HE1 LYS 70 3.740 -27.080 2.163 593 1HZ LYS 70 HZ1 LYS 70 5.349 -25.369 1.291 594 2HZ LYS 70 HZ2 LYS 70 4.262 -24.183 1.838 595 3HZ LYS 70 HZ3 LYS 70 3.779 -25.300 0.654 596 H LYS 71 HN LYS 71 -1.597 -22.472 2.031 597 HA LYS 71 HA LYS 71 -4.358 -23.418 2.710 598 1HB LYS 71 HB2 LYS 71 -3.286 -22.788 4.749 599 2HB LYS 71 HB1 LYS 71 -2.560 -21.365 4.012 600 1HG LYS 71 HG2 LYS 71 -4.518 -20.139 4.095 601 2HG LYS 71 HG1 LYS 71 -5.551 -21.557 3.970 602 1HD LYS 71 HD2 LYS 71 -3.883 -21.253 6.450 603 2HD LYS 71 HD1 LYS 71 -5.292 -20.212 6.273 604 1HE LYS 71 HE2 LYS 71 -5.707 -22.413 7.476 605 2HE LYS 71 HE1 LYS 71 -6.775 -22.081 6.111 606 1HZ LYS 71 HZ1 LYS 71 -5.453 -23.490 4.722 607 2HZ LYS 71 HZ2 LYS 71 -5.878 -24.359 6.119 608 3HZ LYS 71 HZ3 LYS 71 -4.309 -23.726 5.953 609 HA PRO 72 HA PRO 72 -4.629 -20.199 -0.599 610 1HB PRO 72 HB2 PRO 72 -6.288 -21.483 -2.290 611 2HB PRO 72 HB1 PRO 72 -4.563 -21.896 -2.200 612 1HG PRO 72 HG2 PRO 72 -6.907 -23.306 -1.007 613 2HG PRO 72 HG1 PRO 72 -5.466 -23.981 -1.787 614 1HD PRO 72 HD2 PRO 72 -5.811 -23.771 0.970 615 2HD PRO 72 HD1 PRO 72 -4.232 -23.913 0.166 616 H GLY 73 HN GLY 73 -6.263 -18.642 -0.838 617 1HA GLY 73 HA2 GLY 73 -9.020 -18.910 -0.558 618 2HA GLY 73 HA1 GLY 73 -8.426 -18.694 1.090 619 H LYS 74 HN LYS 74 -6.215 -16.976 0.382 620 HA LYS 74 HA LYS 74 -7.710 -14.482 -0.384 621 1HB LYS 74 HB2 LYS 74 -5.184 -14.646 1.273 622 2HB LYS 74 HB1 LYS 74 -6.267 -13.270 1.088 623 1HG LYS 74 HG2 LYS 74 -8.078 -14.611 2.180 624 2HG LYS 74 HG1 LYS 74 -6.899 -15.888 2.476 625 1HD LYS 74 HD2 LYS 74 -5.484 -14.039 3.622 626 2HD LYS 74 HD1 LYS 74 -6.974 -13.099 3.626 627 1HE LYS 74 HE2 LYS 74 -8.112 -14.767 4.945 628 2HE LYS 74 HE1 LYS 74 -6.755 -15.885 4.794 629 1HZ LYS 74 HZ1 LYS 74 -5.669 -13.565 5.774 630 2HZ LYS 74 HZ2 LYS 74 -5.972 -14.991 6.647 631 3HZ LYS 74 HZ3 LYS 74 -7.123 -13.741 6.629 632 H GLY 75 HN GLY 75 -6.553 -12.992 -1.762 633 1HA GLY 75 HA2 GLY 75 -4.878 -14.283 -3.730 634 2HA GLY 75 HA1 GLY 75 -5.252 -12.561 -3.674 635 H SER 76 HN SER 76 -3.989 -11.253 -2.072 636 HA SER 76 HA SER 76 -1.509 -12.430 -1.030 637 1HB SER 76 HB2 SER 76 -0.844 -12.060 -3.343 638 2HB SER 76 HB1 SER 76 -1.466 -10.414 -3.294 639 HG SER 76 HG SER 76 0.923 -10.967 -2.847 640 H TYR 77 HN TYR 77 -0.142 -10.619 0.003 641 HA TYR 77 HA TYR 77 -1.988 -8.603 1.236 642 1HB TYR 77 HB2 TYR 77 0.715 -9.317 2.361 643 2HB TYR 77 HB1 TYR 77 -0.710 -8.707 3.192 644 HD1 TYR 77 HD1 TYR 77 -2.883 -10.345 2.767 645 HD2 TYR 77 HD2 TYR 77 1.245 -11.528 2.832 646 HE1 TYR 77 HE1 TYR 77 -3.554 -12.664 3.342 647 HE2 TYR 77 HE2 TYR 77 0.575 -13.847 3.394 648 HH TYR 77 HH TYR 77 -1.617 -14.871 4.622 649 H TRP 78 HN TRP 78 -1.064 -6.470 1.650 650 HA TRP 78 HA TRP 78 1.150 -5.723 -0.242 651 1HB TRP 78 HB2 TRP 78 -1.357 -4.209 0.541 652 2HB TRP 78 HB1 TRP 78 -0.003 -3.473 -0.318 653 HD1 TRP 78 HD1 TRP 78 -2.814 -6.024 -0.757 654 HE1 TRP 78 HE1 TRP 78 -3.071 -6.540 -3.272 655 HE3 TRP 78 HE3 TRP 78 1.252 -3.541 -2.591 656 HZ2 TRP 78 HZ2 TRP 78 -1.721 -5.971 -5.741 657 HZ3 TRP 78 HZ3 TRP 78 1.744 -3.540 -5.016 658 HH2 TRP 78 HH2 TRP 78 0.266 -4.750 -6.593 659 H THR 79 HN THR 79 2.835 -4.594 0.684 660 HA THR 79 HA THR 79 2.451 -3.269 3.300 661 HB THR 79 HB THR 79 3.007 -5.591 3.910 662 HG1 THR 79 HG1 THR 79 5.057 -5.027 4.986 663 1HG2 THR 79 HG21 THR 79 5.141 -6.574 3.244 664 2HG2 THR 79 HG22 THR 79 5.548 -5.126 2.323 665 3HG2 THR 79 HG23 THR 79 4.210 -6.153 1.808 666 H LEU 80 HN LEU 80 4.342 -1.955 3.896 667 HA LEU 80 HA LEU 80 5.528 -0.688 1.548 668 1HB LEU 80 HB2 LEU 80 6.073 -0.248 4.503 669 2HB LEU 80 HB1 LEU 80 6.567 0.825 3.196 670 HG LEU 80 HG LEU 80 3.662 0.096 3.591 671 1HD1 LEU 80 HD11 LEU 80 4.303 0.997 5.726 672 2HD1 LEU 80 HD12 LEU 80 3.488 2.288 4.843 673 3HD1 LEU 80 HD13 LEU 80 5.248 2.277 4.965 674 1HD2 LEU 80 HD21 LEU 80 3.385 2.362 2.522 675 2HD2 LEU 80 HD22 LEU 80 4.182 1.184 1.482 676 3HD2 LEU 80 HD23 LEU 80 5.132 2.421 2.306 677 H ASP 81 HN ASP 81 7.907 -0.444 1.298 678 HA ASP 81 HA ASP 81 9.257 -2.990 1.659 679 1HB ASP 81 HB2 ASP 81 10.452 -0.349 0.788 680 2HB ASP 81 HB1 ASP 81 11.112 -1.959 0.497 681 HA PRO 82 HA PRO 82 10.667 -1.978 5.874 682 1HB PRO 82 HB2 PRO 82 12.914 -3.812 5.069 683 2HB PRO 82 HB1 PRO 82 11.954 -3.798 6.561 684 1HG PRO 82 HG2 PRO 82 11.505 -5.602 4.667 685 2HG PRO 82 HG1 PRO 82 10.166 -4.877 5.574 686 1HD PRO 82 HD2 PRO 82 11.030 -4.354 2.754 687 2HD PRO 82 HD1 PRO 82 9.401 -4.301 3.475 688 H ASP 83 HN ASP 83 13.524 -2.612 3.864 689 HA ASP 83 HA ASP 83 14.220 0.221 3.663 690 1HB ASP 83 HB2 ASP 83 15.006 -0.575 5.992 691 2HB ASP 83 HB1 ASP 83 16.166 -1.582 5.125 692 H SER 84 HN SER 84 13.648 -1.843 1.803 693 HA SER 84 HA SER 84 15.786 -3.313 0.780 694 1HB SER 84 HB2 SER 84 13.576 -1.845 -0.678 695 2HB SER 84 HB1 SER 84 14.696 -2.937 -1.487 696 HG SER 84 HG SER 84 12.581 -3.469 0.188 697 H TYR 85 HN TYR 85 17.744 -2.106 1.091 698 HA TYR 85 HA TYR 85 18.116 0.528 -0.022 699 1HB TYR 85 HB2 TYR 85 19.458 -0.663 1.850 700 2HB TYR 85 HB1 TYR 85 20.351 -1.426 0.536 701 HD1 TYR 85 HD1 TYR 85 19.711 1.666 2.362 702 HD2 TYR 85 HD2 TYR 85 21.664 -0.039 -1.065 703 HE1 TYR 85 HE1 TYR 85 21.072 3.729 2.107 704 HE2 TYR 85 HE2 TYR 85 23.023 2.021 -1.318 705 HH TYR 85 HH TYR 85 23.523 4.006 -0.470 706 H ASN 86 HN ASN 86 19.167 -2.713 -1.110 707 HA ASN 86 HA ASN 86 19.104 -1.760 -3.917 708 1HB ASN 86 HB2 ASN 86 21.412 -1.298 -3.124 709 2HB ASN 86 HB1 ASN 86 21.565 -2.990 -2.646 710 1HD2 ASN 86 HD21 ASN 86 20.586 -1.126 -5.590 711 2HD2 ASN 86 HD22 ASN 86 21.390 -2.149 -6.680 712 H MET 87 HN MET 87 17.643 -3.692 -2.207 713 HA MET 87 HA MET 87 18.498 -6.345 -3.135 714 1HB MET 87 HB2 MET 87 16.053 -5.445 -1.584 715 2HB MET 87 HB1 MET 87 16.518 -7.127 -1.864 716 1HG MET 87 HG2 MET 87 18.669 -6.722 -0.726 717 2HG MET 87 HG1 MET 87 18.204 -5.046 -0.443 718 1HE MET 87 HE1 MET 87 19.282 -6.440 1.583 719 2HE MET 87 HE2 MET 87 18.263 -6.924 2.938 720 3HE MET 87 HE3 MET 87 18.313 -5.235 2.439 721 H PHE 88 HN PHE 88 17.707 -7.394 -4.889 722 HA PHE 88 HA PHE 88 15.674 -5.996 -6.553 723 1HB PHE 88 HB2 PHE 88 17.462 -8.362 -7.197 724 2HB PHE 88 HB1 PHE 88 16.430 -7.502 -8.339 725 HD1 PHE 88 HD1 PHE 88 16.837 -4.998 -8.700 726 HD2 PHE 88 HD2 PHE 88 19.641 -7.573 -6.706 727 HE1 PHE 88 HE1 PHE 88 18.637 -3.336 -9.082 728 HE2 PHE 88 HE2 PHE 88 21.440 -5.908 -7.089 729 HZ PHE 88 HZ PHE 88 20.938 -3.791 -8.278 730 H GLU 89 HN GLU 89 15.684 -8.280 -4.170 731 HA GLU 89 HA GLU 89 13.171 -9.506 -5.201 732 1HB GLU 89 HB2 GLU 89 13.932 -11.715 -4.333 733 2HB GLU 89 HB1 GLU 89 14.916 -11.134 -5.673 734 1HG GLU 89 HG2 GLU 89 15.718 -10.581 -2.810 735 2HG GLU 89 HG1 GLU 89 16.143 -12.096 -3.599 736 H ASN 90 HN ASN 90 11.840 -10.405 -3.473 737 HA ASN 90 HA ASN 90 12.452 -9.290 -0.752 738 1HB ASN 90 HB2 ASN 90 10.668 -8.007 -1.984 739 2HB ASN 90 HB1 ASN 90 9.716 -9.491 -2.046 740 1HD2 ASN 90 HD21 ASN 90 8.104 -9.306 -0.477 741 2HD2 ASN 90 HD22 ASN 90 8.358 -8.769 1.114 742 H GLY 91 HN GLY 91 12.367 -10.819 0.832 743 1HA GLY 91 HA2 GLY 91 10.504 -13.002 0.857 744 2HA GLY 91 HA1 GLY 91 12.077 -13.572 0.300 745 H SER 92 HN SER 92 13.783 -13.707 1.782 746 HA SER 92 HA SER 92 13.022 -13.343 4.654 747 1HB SER 92 HB2 SER 92 13.677 -15.622 4.064 748 2HB SER 92 HB1 SER 92 15.173 -15.034 3.343 749 HG SER 92 HG SER 92 15.513 -14.085 5.545 750 H PHE 93 HN PHE 93 13.529 -11.091 4.735 751 HA PHE 93 HA PHE 93 16.381 -10.341 4.241 752 1HB PHE 93 HB2 PHE 93 15.497 -7.998 4.521 753 2HB PHE 93 HB1 PHE 93 14.794 -8.868 3.157 754 HD1 PHE 93 HD1 PHE 93 12.484 -9.665 3.215 755 HD2 PHE 93 HD2 PHE 93 14.191 -7.559 6.547 756 HE1 PHE 93 HE1 PHE 93 10.220 -9.360 4.180 757 HE2 PHE 93 HE2 PHE 93 11.928 -7.252 7.511 758 HZ PHE 93 HZ PHE 93 9.941 -8.152 6.329 759 H LEU 94 HN LEU 94 17.698 -9.979 5.965 760 HA LEU 94 HA LEU 94 16.466 -9.893 8.702 761 1HB LEU 94 HB2 LEU 94 19.285 -10.661 7.880 762 2HB LEU 94 HB1 LEU 94 18.618 -10.736 9.510 763 HG LEU 94 HG LEU 94 17.612 -12.317 7.125 764 1HD1 LEU 94 HD11 LEU 94 19.825 -13.045 7.991 765 2HD1 LEU 94 HD12 LEU 94 18.571 -14.249 8.288 766 3HD1 LEU 94 HD13 LEU 94 19.123 -13.208 9.602 767 1HD2 LEU 94 HD21 LEU 94 15.725 -12.073 8.496 768 2HD2 LEU 94 HD22 LEU 94 16.680 -12.022 9.978 769 3HD2 LEU 94 HD23 LEU 94 16.438 -13.551 9.135 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -24.102 18.831 4.435 2 2H MET 1 HT2 MET 1 -22.789 17.988 5.107 3 3H MET 1 HT3 MET 1 -24.348 17.314 5.151 4 HA MET 1 HA MET 1 -24.259 16.568 3.048 5 1HB MET 1 HB2 MET 1 -22.616 19.053 2.509 6 2HB MET 1 HB1 MET 1 -22.967 17.840 1.277 7 1HG MET 1 HG2 MET 1 -25.393 18.164 1.666 8 2HG MET 1 HG1 MET 1 -25.026 19.411 2.856 9 1HE MET 1 HE1 MET 1 -23.736 22.366 1.047 10 2HE MET 1 HE2 MET 1 -22.555 21.138 1.487 11 3HE MET 1 HE3 MET 1 -23.931 21.448 2.544 12 H LEU 2 HN LEU 2 -22.815 15.058 2.093 13 HA LEU 2 HA LEU 2 -20.382 14.547 3.678 14 1HB LEU 2 HB2 LEU 2 -21.464 12.995 1.311 15 2HB LEU 2 HB1 LEU 2 -20.313 12.429 2.520 16 HG LEU 2 HG LEU 2 -23.212 13.166 3.005 17 1HD1 LEU 2 HD11 LEU 2 -22.584 10.930 1.878 18 2HD1 LEU 2 HD12 LEU 2 -23.603 10.852 3.313 19 3HD1 LEU 2 HD13 LEU 2 -21.883 10.489 3.435 20 1HD2 LEU 2 HD21 LEU 2 -22.580 12.110 5.320 21 2HD2 LEU 2 HD22 LEU 2 -22.145 13.787 5.003 22 3HD2 LEU 2 HD23 LEU 2 -20.926 12.520 4.865 23 H VAL 3 HN VAL 3 -18.280 14.608 2.858 24 HA VAL 3 HA VAL 3 -17.893 15.430 0.026 25 HB VAL 3 HB VAL 3 -16.255 16.853 2.100 26 1HG1 VAL 3 HG11 VAL 3 -16.324 18.635 0.396 27 2HG1 VAL 3 HG12 VAL 3 -17.414 17.654 -0.584 28 3HG1 VAL 3 HG13 VAL 3 -15.760 17.113 -0.294 29 1HG2 VAL 3 HG21 VAL 3 -18.007 18.673 2.121 30 2HG2 VAL 3 HG22 VAL 3 -18.476 17.208 2.983 31 3HG2 VAL 3 HG23 VAL 3 -19.119 17.529 1.372 32 H LYS 4 HN LYS 4 -15.561 15.227 -0.592 33 HA LYS 4 HA LYS 4 -14.457 12.765 0.593 34 1HB LYS 4 HB2 LYS 4 -13.824 14.404 -1.862 35 2HB LYS 4 HB1 LYS 4 -12.729 13.135 -1.315 36 1HG LYS 4 HG2 LYS 4 -14.399 12.366 -3.030 37 2HG LYS 4 HG1 LYS 4 -14.461 11.460 -1.519 38 1HD LYS 4 HD2 LYS 4 -16.415 12.617 -0.786 39 2HD LYS 4 HD1 LYS 4 -16.250 13.842 -2.044 40 1HE LYS 4 HE2 LYS 4 -16.566 11.966 -3.741 41 2HE LYS 4 HE1 LYS 4 -17.015 10.933 -2.384 42 1HZ LYS 4 HZ1 LYS 4 -18.536 13.062 -1.916 43 2HZ LYS 4 HZ2 LYS 4 -19.052 11.730 -2.835 44 3HZ LYS 4 HZ3 LYS 4 -18.469 13.125 -3.609 45 HA PRO 5 HA PRO 5 -11.455 15.015 2.993 46 1HB PRO 5 HB2 PRO 5 -9.576 13.127 3.436 47 2HB PRO 5 HB1 PRO 5 -11.205 12.996 4.127 48 1HG PRO 5 HG2 PRO 5 -10.101 11.711 1.661 49 2HG PRO 5 HG1 PRO 5 -11.040 10.980 2.976 50 1HD PRO 5 HD2 PRO 5 -12.199 11.751 0.631 51 2HD PRO 5 HD1 PRO 5 -13.058 11.821 2.186 52 HA PRO 6 HA PRO 6 -8.320 16.550 0.244 53 1HB PRO 6 HB2 PRO 6 -6.451 17.524 1.963 54 2HB PRO 6 HB1 PRO 6 -8.063 18.249 1.805 55 1HG PRO 6 HG2 PRO 6 -7.057 16.332 3.868 56 2HG PRO 6 HG1 PRO 6 -8.018 17.807 4.082 57 1HD PRO 6 HD2 PRO 6 -9.148 15.321 4.071 58 2HD PRO 6 HD1 PRO 6 -10.006 16.761 3.483 59 H TYR 7 HN TYR 7 -7.695 13.725 1.990 60 HA TYR 7 HA TYR 7 -4.847 13.492 1.505 61 1HB TYR 7 HB2 TYR 7 -6.829 11.227 1.842 62 2HB TYR 7 HB1 TYR 7 -5.099 11.186 2.166 63 HD1 TYR 7 HD1 TYR 7 -4.353 13.311 3.773 64 HD2 TYR 7 HD2 TYR 7 -8.161 11.321 3.751 65 HE1 TYR 7 HE1 TYR 7 -4.777 14.089 6.088 66 HE2 TYR 7 HE2 TYR 7 -8.587 12.107 6.059 67 HH TYR 7 HH TYR 7 -6.896 14.540 7.516 68 H SER 8 HN SER 8 -3.802 12.481 -0.230 69 HA SER 8 HA SER 8 -5.278 12.392 -2.746 70 1HB SER 8 HB2 SER 8 -3.164 11.936 -3.766 71 2HB SER 8 HB1 SER 8 -2.817 13.054 -2.449 72 HG SER 8 HG SER 8 -2.164 10.383 -2.761 73 H TYR 9 HN TYR 9 -5.262 10.360 -4.118 74 HA TYR 9 HA TYR 9 -6.407 8.165 -2.705 75 1HB TYR 9 HB2 TYR 9 -5.139 8.281 -5.456 76 2HB TYR 9 HB1 TYR 9 -6.016 6.882 -4.840 77 HD1 TYR 9 HD1 TYR 9 -8.451 7.018 -4.374 78 HD2 TYR 9 HD2 TYR 9 -6.292 10.308 -6.100 79 HE1 TYR 9 HE1 TYR 9 -10.591 8.064 -5.049 80 HE2 TYR 9 HE2 TYR 9 -8.435 11.356 -6.776 81 HH TYR 9 HH TYR 9 -11.381 10.468 -5.543 82 H ILE 10 HN ILE 10 -3.104 8.770 -3.842 83 HA ILE 10 HA ILE 10 -2.030 6.208 -3.104 84 HB ILE 10 HB ILE 10 -0.668 8.918 -3.242 85 1HG1 ILE 10 HG12 ILE 10 -1.724 8.367 -5.366 86 2HG1 ILE 10 HG11 ILE 10 0.019 8.163 -5.517 87 1HG2 ILE 10 HG21 ILE 10 1.360 7.444 -3.717 88 2HG2 ILE 10 HG22 ILE 10 0.391 6.091 -3.134 89 3HG2 ILE 10 HG23 ILE 10 0.768 7.434 -2.056 90 1HD1 ILE 10 HD11 ILE 10 -2.137 6.081 -5.443 91 2HD1 ILE 10 HD12 ILE 10 -0.532 5.655 -4.851 92 3HD1 ILE 10 HD13 ILE 10 -0.742 6.210 -6.510 93 H ALA 11 HN ALA 11 -2.371 9.285 -1.367 94 HA ALA 11 HA ALA 11 -0.935 8.486 0.985 95 1HB ALA 11 HB1 ALA 11 -1.493 10.847 0.460 96 2HB ALA 11 HB2 ALA 11 -2.072 10.391 2.062 97 3HB ALA 11 HB3 ALA 11 -3.202 10.493 0.711 98 H LEU 12 HN LEU 12 -4.386 8.262 0.109 99 HA LEU 12 HA LEU 12 -5.308 7.345 2.642 100 1HB LEU 12 HB2 LEU 12 -6.308 6.810 -0.162 101 2HB LEU 12 HB1 LEU 12 -7.171 6.288 1.283 102 HG LEU 12 HG LEU 12 -6.357 9.162 0.755 103 1HD1 LEU 12 HD11 LEU 12 -9.009 7.771 0.272 104 2HD1 LEU 12 HD12 LEU 12 -7.938 8.437 -0.961 105 3HD1 LEU 12 HD13 LEU 12 -8.750 9.513 0.174 106 1HD2 LEU 12 HD21 LEU 12 -8.397 9.378 2.460 107 2HD2 LEU 12 HD22 LEU 12 -6.766 9.077 3.043 108 3HD2 LEU 12 HD23 LEU 12 -7.911 7.744 2.907 109 H ILE 13 HN ILE 13 -3.942 5.576 -0.119 110 HA ILE 13 HA ILE 13 -4.328 2.952 0.987 111 HB ILE 13 HB ILE 13 -2.180 3.995 -0.889 112 1HG1 ILE 13 HG12 ILE 13 -4.700 2.438 -1.508 113 2HG1 ILE 13 HG11 ILE 13 -4.612 4.198 -1.603 114 1HG2 ILE 13 HG21 ILE 13 -1.373 1.933 -0.022 115 2HG2 ILE 13 HG22 ILE 13 -2.145 1.502 -1.548 116 3HG2 ILE 13 HG23 ILE 13 -2.982 1.211 -0.023 117 1HD1 ILE 13 HD11 ILE 13 -2.633 3.902 -3.172 118 2HD1 ILE 13 HD12 ILE 13 -4.185 3.372 -3.819 119 3HD1 ILE 13 HD13 ILE 13 -3.028 2.184 -3.219 120 H THR 14 HN THR 14 -1.660 5.282 1.130 121 HA THR 14 HA THR 14 0.138 3.727 2.682 122 HB THR 14 HB THR 14 -0.243 6.731 2.645 123 HG1 THR 14 HG1 THR 14 1.235 4.909 1.078 124 1HG2 THR 14 HG21 THR 14 1.114 6.160 4.535 125 2HG2 THR 14 HG22 THR 14 2.220 6.673 3.262 126 3HG2 THR 14 HG23 THR 14 2.008 4.957 3.606 127 H MET 15 HN MET 15 -2.502 5.894 3.628 128 HA MET 15 HA MET 15 -2.002 5.752 6.458 129 1HB MET 15 HB2 MET 15 -4.479 6.441 4.860 130 2HB MET 15 HB1 MET 15 -4.404 6.550 6.619 131 1HG MET 15 HG2 MET 15 -2.504 8.115 6.443 132 2HG MET 15 HG1 MET 15 -2.577 8.010 4.685 133 1HE MET 15 HE1 MET 15 -3.706 11.491 6.067 134 2HE MET 15 HE2 MET 15 -3.240 11.011 4.438 135 3HE MET 15 HE3 MET 15 -2.330 10.408 5.821 136 H ALA 16 HN ALA 16 -4.055 3.870 4.259 137 HA ALA 16 HA ALA 16 -5.445 2.361 6.219 138 1HB ALA 16 HB1 ALA 16 -6.163 2.282 3.927 139 2HB ALA 16 HB2 ALA 16 -5.652 0.649 4.356 140 3HB ALA 16 HB3 ALA 16 -4.591 1.684 3.396 141 H ILE 17 HN ILE 17 -2.355 1.610 4.560 142 HA ILE 17 HA ILE 17 -1.932 -0.921 5.796 143 HB ILE 17 HB ILE 17 0.196 1.101 5.024 144 1HG1 ILE 17 HG12 ILE 17 -0.969 -1.093 3.295 145 2HG1 ILE 17 HG11 ILE 17 -1.551 0.571 3.239 146 1HG2 ILE 17 HG21 ILE 17 1.449 -1.074 4.538 147 2HG2 ILE 17 HG22 ILE 17 0.162 -1.900 5.416 148 3HG2 ILE 17 HG23 ILE 17 1.172 -0.713 6.242 149 1HD1 ILE 17 HD11 ILE 17 0.570 1.399 2.528 150 2HD1 ILE 17 HD12 ILE 17 0.260 -0.027 1.537 151 3HD1 ILE 17 HD13 ILE 17 1.370 -0.127 2.904 152 H GLN 18 HN GLN 18 -0.707 2.294 6.718 153 HA GLN 18 HA GLN 18 0.517 1.378 9.164 154 1HB GLN 18 HB2 GLN 18 -0.290 4.127 8.190 155 2HB GLN 18 HB1 GLN 18 0.567 3.853 9.708 156 1HG GLN 18 HG2 GLN 18 2.444 2.874 8.562 157 2HG GLN 18 HG1 GLN 18 1.565 2.844 7.032 158 1HE2 GLN 18 HE21 GLN 18 4.125 4.266 7.606 159 2HE2 GLN 18 HE22 GLN 18 3.823 5.908 7.299 160 H ASN 19 HN ASN 19 -2.622 2.864 8.430 161 HA ASN 19 HA ASN 19 -3.468 3.176 11.146 162 1HB ASN 19 HB2 ASN 19 -5.041 2.812 8.582 163 2HB ASN 19 HB1 ASN 19 -5.786 3.161 10.141 164 1HD2 ASN 19 HD21 ASN 19 -2.825 4.664 10.243 165 2HD2 ASN 19 HD22 ASN 19 -3.273 6.204 9.687 166 H ALA 20 HN ALA 20 -3.537 0.457 8.915 167 HA ALA 20 HA ALA 20 -5.248 -1.186 10.594 168 1HB ALA 20 HB1 ALA 20 -4.893 -2.887 8.987 169 2HB ALA 20 HB2 ALA 20 -3.337 -2.215 8.489 170 3HB ALA 20 HB3 ALA 20 -4.838 -1.392 8.054 171 HA PRO 21 HA PRO 21 -1.846 -1.989 13.545 172 1HB PRO 21 HB2 PRO 21 -3.570 -4.395 14.066 173 2HB PRO 21 HB1 PRO 21 -2.804 -3.288 15.224 174 1HG PRO 21 HG2 PRO 21 -5.410 -3.136 14.683 175 2HG PRO 21 HG1 PRO 21 -4.441 -1.684 14.981 176 1HD PRO 21 HD2 PRO 21 -5.551 -2.702 12.403 177 2HD PRO 21 HD1 PRO 21 -5.184 -1.034 12.895 178 H GLU 22 HN GLU 22 -3.270 -4.333 11.336 179 HA GLU 22 HA GLU 22 -0.731 -5.898 11.252 180 1HB GLU 22 HB2 GLU 22 -2.869 -7.138 11.528 181 2HB GLU 22 HB1 GLU 22 -3.452 -6.447 10.015 182 1HG GLU 22 HG2 GLU 22 -1.606 -7.521 8.796 183 2HG GLU 22 HG1 GLU 22 -0.988 -8.191 10.306 184 H LYS 23 HN LYS 23 0.691 -5.100 9.753 185 HA LYS 23 HA LYS 23 -0.130 -3.341 7.623 186 1HB LYS 23 HB2 LYS 23 2.462 -4.830 8.125 187 2HB LYS 23 HB1 LYS 23 2.238 -3.696 6.793 188 1HG LYS 23 HG2 LYS 23 1.676 -1.912 8.402 189 2HG LYS 23 HG1 LYS 23 1.904 -3.045 9.736 190 1HD LYS 23 HD2 LYS 23 4.251 -3.382 9.056 191 2HD LYS 23 HD1 LYS 23 4.027 -2.247 7.723 192 1HE LYS 23 HE2 LYS 23 3.320 -0.537 9.492 193 2HE LYS 23 HE1 LYS 23 3.955 -1.667 10.689 194 1HZ LYS 23 HZ1 LYS 23 5.669 -1.054 8.414 195 2HZ LYS 23 HZ2 LYS 23 6.074 -1.310 10.043 196 3HZ LYS 23 HZ3 LYS 23 5.444 0.187 9.548 197 H LYS 24 HN LYS 24 0.331 -6.820 7.837 198 HA LYS 24 HA LYS 24 0.342 -7.189 4.938 199 1HB LYS 24 HB2 LYS 24 -0.051 -9.136 7.235 200 2HB LYS 24 HB1 LYS 24 0.042 -9.615 5.538 201 1HG LYS 24 HG2 LYS 24 2.288 -8.605 5.371 202 2HG LYS 24 HG1 LYS 24 2.200 -8.130 7.067 203 1HD LYS 24 HD2 LYS 24 1.983 -10.494 7.727 204 2HD LYS 24 HD1 LYS 24 2.067 -10.980 6.035 205 1HE LYS 24 HE2 LYS 24 4.323 -10.271 5.831 206 2HE LYS 24 HE1 LYS 24 4.251 -9.336 7.325 207 1HZ LYS 24 HZ1 LYS 24 4.523 -12.226 6.946 208 2HZ LYS 24 HZ2 LYS 24 3.668 -11.681 8.309 209 3HZ LYS 24 HZ3 LYS 24 5.281 -11.205 8.070 210 H ILE 25 HN ILE 25 -1.631 -5.807 4.667 211 HA ILE 25 HA ILE 25 -4.181 -7.187 5.370 212 HB ILE 25 HB ILE 25 -3.966 -4.769 5.927 213 1HG1 ILE 25 HG12 ILE 25 -5.944 -5.112 3.664 214 2HG1 ILE 25 HG11 ILE 25 -6.154 -5.936 5.209 215 1HG2 ILE 25 HG21 ILE 25 -3.814 -3.111 4.175 216 2HG2 ILE 25 HG22 ILE 25 -3.895 -4.351 2.925 217 3HG2 ILE 25 HG23 ILE 25 -2.474 -4.238 3.962 218 1HD1 ILE 25 HD11 ILE 25 -7.357 -3.737 5.079 219 2HD1 ILE 25 HD12 ILE 25 -5.791 -2.941 4.924 220 3HD1 ILE 25 HD13 ILE 25 -6.190 -3.824 6.398 221 H THR 26 HN THR 26 -5.648 -7.769 3.740 222 HA THR 26 HA THR 26 -4.418 -8.385 1.162 223 HB THR 26 HB THR 26 -7.356 -8.747 1.732 224 HG1 THR 26 HG1 THR 26 -5.413 -10.547 2.675 225 1HG2 THR 26 HG21 THR 26 -5.300 -10.590 0.490 226 2HG2 THR 26 HG22 THR 26 -6.272 -9.446 -0.435 227 3HG2 THR 26 HG23 THR 26 -7.056 -10.762 0.440 228 H LEU 27 HN LEU 27 -5.584 -7.833 -0.885 229 HA LEU 27 HA LEU 27 -5.835 -5.020 -1.236 230 1HB LEU 27 HB2 LEU 27 -5.328 -6.688 -3.028 231 2HB LEU 27 HB1 LEU 27 -6.982 -7.274 -2.921 232 HG LEU 27 HG LEU 27 -7.812 -5.025 -3.588 233 1HD1 LEU 27 HD11 LEU 27 -4.868 -4.421 -3.413 234 2HD1 LEU 27 HD12 LEU 27 -6.245 -3.438 -2.917 235 3HD1 LEU 27 HD13 LEU 27 -5.833 -3.579 -4.621 236 1HD2 LEU 27 HD21 LEU 27 -7.170 -6.885 -5.228 237 2HD2 LEU 27 HD22 LEU 27 -5.687 -5.977 -5.522 238 3HD2 LEU 27 HD23 LEU 27 -7.253 -5.257 -5.894 239 H ASN 28 HN ASN 28 -8.280 -7.581 -0.990 240 HA ASN 28 HA ASN 28 -10.606 -5.958 -1.197 241 1HB ASN 28 HB2 ASN 28 -10.091 -8.578 0.234 242 2HB ASN 28 HB1 ASN 28 -11.696 -7.865 0.067 243 1HD2 ASN 28 HD21 ASN 28 -10.921 -10.407 -1.123 244 2HD2 ASN 28 HD22 ASN 28 -11.002 -10.225 -2.808 245 H GLY 29 HN GLY 29 -8.657 -6.899 1.628 246 1HA GLY 29 HA2 GLY 29 -10.374 -5.883 3.643 247 2HA GLY 29 HA1 GLY 29 -8.629 -6.059 3.814 248 H ILE 30 HN ILE 30 -7.843 -4.218 1.762 249 HA ILE 30 HA ILE 30 -7.875 -1.775 3.221 250 HB ILE 30 HB ILE 30 -7.385 -2.261 0.266 251 1HG1 ILE 30 HG12 ILE 30 -5.412 -1.819 2.526 252 2HG1 ILE 30 HG11 ILE 30 -5.885 -3.420 1.955 253 1HG2 ILE 30 HG21 ILE 30 -7.866 0.068 0.525 254 2HG2 ILE 30 HG22 ILE 30 -6.108 -0.058 0.506 255 3HG2 ILE 30 HG23 ILE 30 -6.960 0.158 2.034 256 1HD1 ILE 30 HD11 ILE 30 -5.090 -2.867 -0.304 257 2HD1 ILE 30 HD12 ILE 30 -3.793 -2.650 0.870 258 3HD1 ILE 30 HD13 ILE 30 -4.652 -1.247 0.234 259 H TYR 31 HN TYR 31 -9.847 -2.837 0.438 260 HA TYR 31 HA TYR 31 -11.255 -0.395 0.092 261 1HB TYR 31 HB2 TYR 31 -11.945 -3.271 -0.521 262 2HB TYR 31 HB1 TYR 31 -13.083 -1.969 -0.870 263 HD1 TYR 31 HD1 TYR 31 -10.479 -3.869 -2.255 264 HD2 TYR 31 HD2 TYR 31 -11.930 0.166 -2.026 265 HE1 TYR 31 HE1 TYR 31 -9.217 -3.294 -4.314 266 HE2 TYR 31 HE2 TYR 31 -10.667 0.738 -4.063 267 HH TYR 31 HH TYR 31 -9.247 -1.638 -6.086 268 H GLN 32 HN GLN 32 -11.996 -3.152 2.221 269 HA GLN 32 HA GLN 32 -14.532 -2.119 3.093 270 1HB GLN 32 HB2 GLN 32 -13.575 -4.499 3.372 271 2HB GLN 32 HB1 GLN 32 -12.715 -3.858 4.770 272 1HG GLN 32 HG2 GLN 32 -15.716 -3.639 4.397 273 2HG GLN 32 HG1 GLN 32 -14.932 -4.914 5.328 274 1HE2 GLN 32 HE21 GLN 32 -12.950 -3.555 6.719 275 2HE2 GLN 32 HE22 GLN 32 -13.641 -2.375 7.724 276 H PHE 33 HN PHE 33 -11.231 -1.763 4.335 277 HA PHE 33 HA PHE 33 -11.846 -0.421 6.756 278 1HB PHE 33 HB2 PHE 33 -9.615 -1.323 6.179 279 2HB PHE 33 HB1 PHE 33 -9.424 -0.052 4.974 280 HD1 PHE 33 HD1 PHE 33 -9.694 -0.777 8.586 281 HD2 PHE 33 HD2 PHE 33 -8.939 2.234 5.616 282 HE1 PHE 33 HE1 PHE 33 -8.854 0.751 10.350 283 HE2 PHE 33 HE2 PHE 33 -8.098 3.763 7.384 284 HZ PHE 33 HZ PHE 33 -8.066 3.021 9.748 285 H ILE 34 HN ILE 34 -11.165 0.976 3.526 286 HA ILE 34 HA ILE 34 -11.342 3.699 4.312 287 HB ILE 34 HB ILE 34 -11.904 2.330 1.673 288 1HG1 ILE 34 HG12 ILE 34 -9.599 4.079 2.575 289 2HG1 ILE 34 HG11 ILE 34 -9.583 2.320 2.683 290 1HG2 ILE 34 HG21 ILE 34 -11.894 5.270 2.386 291 2HG2 ILE 34 HG22 ILE 34 -13.135 4.371 1.516 292 3HG2 ILE 34 HG23 ILE 34 -11.584 4.703 0.747 293 1HD1 ILE 34 HD11 ILE 34 -9.696 2.068 0.319 294 2HD1 ILE 34 HD12 ILE 34 -8.507 3.344 0.593 295 3HD1 ILE 34 HD13 ILE 34 -10.144 3.759 0.084 296 H MET 35 HN MET 35 -13.909 1.470 3.244 297 HA MET 35 HA MET 35 -16.015 3.371 3.096 298 1HB MET 35 HB2 MET 35 -16.033 0.433 3.833 299 2HB MET 35 HB1 MET 35 -17.498 1.378 3.571 300 1HG MET 35 HG2 MET 35 -16.789 1.892 1.280 301 2HG MET 35 HG1 MET 35 -15.278 1.018 1.535 302 1HE MET 35 HE1 MET 35 -15.015 -1.091 0.440 303 2HE MET 35 HE2 MET 35 -15.990 -0.213 -0.733 304 3HE MET 35 HE3 MET 35 -16.341 -1.907 -0.399 305 H ASP 36 HN ASP 36 -14.783 1.508 5.867 306 HA ASP 36 HA ASP 36 -16.839 2.344 7.688 307 1HB ASP 36 HB2 ASP 36 -14.044 1.278 8.126 308 2HB ASP 36 HB1 ASP 36 -15.171 1.597 9.445 309 H ARG 37 HN ARG 37 -13.445 3.510 7.375 310 HA ARG 37 HA ARG 37 -13.852 5.598 9.322 311 1HB ARG 37 HB2 ARG 37 -11.753 5.400 7.141 312 2HB ARG 37 HB1 ARG 37 -11.675 6.454 8.550 313 1HG ARG 37 HG2 ARG 37 -12.017 3.479 8.906 314 2HG ARG 37 HG1 ARG 37 -10.421 4.158 8.612 315 1HD ARG 37 HD2 ARG 37 -10.463 5.426 10.611 316 2HD ARG 37 HD1 ARG 37 -12.200 5.227 10.811 317 HE ARG 37 HE ARG 37 -11.202 2.635 10.864 318 1HH1 ARG 37 HH21 ARG 37 -10.614 5.596 12.532 319 2HH1 ARG 37 HH22 ARG 37 -10.163 4.821 14.015 320 1HH2 ARG 37 HH11 ARG 37 -10.624 1.611 12.784 321 2HH2 ARG 37 HH12 ARG 37 -10.169 2.563 14.158 322 H PHE 38 HN PHE 38 -13.894 5.573 5.770 323 HA PHE 38 HA PHE 38 -15.066 8.335 5.833 324 1HB PHE 38 HB2 PHE 38 -13.691 6.963 3.509 325 2HB PHE 38 HB1 PHE 38 -14.197 8.648 3.607 326 HD1 PHE 38 HD1 PHE 38 -13.069 10.199 5.229 327 HD2 PHE 38 HD2 PHE 38 -11.633 6.220 4.492 328 HE1 PHE 38 HE1 PHE 38 -10.885 10.802 6.231 329 HE2 PHE 38 HE2 PHE 38 -9.449 6.823 5.495 330 HZ PHE 38 HZ PHE 38 -9.073 9.113 6.365 331 HA PRO 39 HA PRO 39 -18.445 5.602 4.360 332 1HB PRO 39 HB2 PRO 39 -20.548 7.025 5.278 333 2HB PRO 39 HB1 PRO 39 -19.535 6.054 6.364 334 1HG PRO 39 HG2 PRO 39 -19.506 8.997 5.886 335 2HG PRO 39 HG1 PRO 39 -19.342 8.105 7.407 336 1HD PRO 39 HD2 PRO 39 -17.203 9.137 5.969 337 2HD PRO 39 HD1 PRO 39 -17.069 7.791 7.120 338 H PHE 40 HN PHE 40 -17.548 8.735 3.426 339 HA PHE 40 HA PHE 40 -19.725 9.493 1.744 340 1HB PHE 40 HB2 PHE 40 -16.936 10.030 0.785 341 2HB PHE 40 HB1 PHE 40 -18.306 11.128 0.917 342 HD1 PHE 40 HD1 PHE 40 -19.147 10.819 3.709 343 HD2 PHE 40 HD2 PHE 40 -15.197 10.973 2.029 344 HE1 PHE 40 HE1 PHE 40 -18.268 11.686 5.858 345 HE2 PHE 40 HE2 PHE 40 -14.320 11.851 4.176 346 HZ PHE 40 HZ PHE 40 -15.854 12.201 6.094 347 H TYR 41 HN TYR 41 -16.997 7.346 1.312 348 HA TYR 41 HA TYR 41 -17.291 6.831 -1.475 349 1HB TYR 41 HB2 TYR 41 -16.108 5.183 0.771 350 2HB TYR 41 HB1 TYR 41 -15.940 4.785 -0.943 351 HD1 TYR 41 HD1 TYR 41 -14.558 6.124 -2.420 352 HD2 TYR 41 HD2 TYR 41 -15.103 7.244 1.685 353 HE1 TYR 41 HE1 TYR 41 -12.715 7.755 -2.636 354 HE2 TYR 41 HE2 TYR 41 -13.259 8.890 1.485 355 HH TYR 41 HH TYR 41 -11.834 9.895 0.083 356 H ARG 42 HN ARG 42 -19.047 5.613 1.308 357 HA ARG 42 HA ARG 42 -20.059 3.203 0.170 358 1HB ARG 42 HB2 ARG 42 -21.295 5.129 2.158 359 2HB ARG 42 HB1 ARG 42 -22.017 3.580 1.733 360 1HG ARG 42 HG2 ARG 42 -19.970 2.416 2.472 361 2HG ARG 42 HG1 ARG 42 -19.245 3.966 2.899 362 1HD ARG 42 HD2 ARG 42 -21.048 4.368 4.532 363 2HD ARG 42 HD1 ARG 42 -21.793 2.832 4.097 364 HE ARG 42 HE ARG 42 -19.209 2.139 4.835 365 1HH1 ARG 42 HH21 ARG 42 -21.816 3.923 6.221 366 2HH1 ARG 42 HH22 ARG 42 -21.416 3.497 7.850 367 1HH2 ARG 42 HH11 ARG 42 -18.678 1.568 6.959 368 2HH2 ARG 42 HH12 ARG 42 -19.640 2.166 8.268 369 H GLU 43 HN GLU 43 -21.217 6.563 -0.069 370 HA GLU 43 HA GLU 43 -23.564 5.891 -1.601 371 1HB GLU 43 HB2 GLU 43 -22.025 8.471 -1.270 372 2HB GLU 43 HB1 GLU 43 -23.525 8.354 -2.191 373 1HG GLU 43 HG2 GLU 43 -23.271 7.480 0.699 374 2HG GLU 43 HG1 GLU 43 -23.827 9.082 0.214 375 H ASN 44 HN ASN 44 -20.312 6.864 -2.414 376 HA ASN 44 HA ASN 44 -20.870 6.443 -5.325 377 1HB ASN 44 HB2 ASN 44 -19.737 8.589 -4.477 378 2HB ASN 44 HB1 ASN 44 -18.341 7.576 -4.108 379 1HD2 ASN 44 HD21 ASN 44 -20.451 8.613 -6.813 380 2HD2 ASN 44 HD22 ASN 44 -19.305 8.310 -8.028 381 H LYS 45 HN LYS 45 -20.677 4.215 -5.588 382 HA LYS 45 HA LYS 45 -18.383 2.821 -4.328 383 1HB LYS 45 HB2 LYS 45 -20.757 1.815 -5.920 384 2HB LYS 45 HB1 LYS 45 -19.505 0.780 -5.231 385 1HG LYS 45 HG2 LYS 45 -20.029 1.641 -2.977 386 2HG LYS 45 HG1 LYS 45 -21.283 2.672 -3.665 387 1HD LYS 45 HD2 LYS 45 -22.479 0.683 -4.492 388 2HD LYS 45 HD1 LYS 45 -21.229 -0.356 -3.806 389 1HE LYS 45 HE2 LYS 45 -21.737 0.513 -1.554 390 2HE LYS 45 HE1 LYS 45 -22.988 1.553 -2.236 391 1HZ LYS 45 HZ1 LYS 45 -23.921 -0.490 -1.347 392 2HZ LYS 45 HZ2 LYS 45 -22.934 -1.414 -2.377 393 3HZ LYS 45 HZ3 LYS 45 -24.144 -0.413 -3.027 394 H GLN 46 HN GLN 46 -19.825 2.602 -7.601 395 HA GLN 46 HA GLN 46 -17.398 1.672 -8.786 396 1HB GLN 46 HB2 GLN 46 -19.837 3.004 -9.989 397 2HB GLN 46 HB1 GLN 46 -18.525 2.322 -10.952 398 1HG GLN 46 HG2 GLN 46 -18.894 0.118 -9.987 399 2HG GLN 46 HG1 GLN 46 -20.115 0.768 -8.891 400 1HE2 GLN 46 HE21 GLN 46 -20.731 -1.318 -10.769 401 2HE2 GLN 46 HE22 GLN 46 -21.816 -0.695 -11.915 402 H GLY 47 HN GLY 47 -15.724 2.749 -9.783 403 1HA GLY 47 HA2 GLY 47 -14.917 4.777 -10.975 404 2HA GLY 47 HA1 GLY 47 -15.803 5.748 -9.804 405 H TRP 48 HN TRP 48 -15.094 5.000 -7.392 406 HA TRP 48 HA TRP 48 -12.220 5.610 -7.301 407 1HB TRP 48 HB2 TRP 48 -12.539 6.064 -5.004 408 2HB TRP 48 HB1 TRP 48 -14.010 6.628 -5.787 409 HD1 TRP 48 HD1 TRP 48 -16.239 5.202 -5.411 410 HE1 TRP 48 HE1 TRP 48 -16.892 3.508 -3.584 411 HE3 TRP 48 HE3 TRP 48 -11.631 4.185 -3.461 412 HZ2 TRP 48 HZ2 TRP 48 -15.630 1.935 -1.551 413 HZ3 TRP 48 HZ3 TRP 48 -11.385 2.588 -1.583 414 HH2 TRP 48 HH2 TRP 48 -13.376 1.462 -0.628 415 H GLN 49 HN GLN 49 -14.275 2.824 -6.773 416 HA GLN 49 HA GLN 49 -12.532 1.277 -5.180 417 1HB GLN 49 HB2 GLN 49 -14.584 0.461 -7.240 418 2HB GLN 49 HB1 GLN 49 -13.742 -0.699 -6.212 419 1HG GLN 49 HG2 GLN 49 -14.588 0.437 -4.206 420 2HG GLN 49 HG1 GLN 49 -15.403 1.633 -5.212 421 1HE2 GLN 49 HE21 GLN 49 -16.206 -0.922 -3.396 422 2HE2 GLN 49 HE22 GLN 49 -17.447 -1.610 -4.326 423 H ASN 50 HN ASN 50 -12.668 1.498 -8.747 424 HA ASN 50 HA ASN 50 -10.596 -0.514 -9.068 425 1HB ASN 50 HB2 ASN 50 -11.855 1.471 -10.969 426 2HB ASN 50 HB1 ASN 50 -10.603 0.333 -11.468 427 1HD2 ASN 50 HD21 ASN 50 -13.413 0.321 -12.395 428 2HD2 ASN 50 HD22 ASN 50 -14.069 -1.168 -11.914 429 H SER 51 HN SER 51 -10.593 3.025 -8.954 430 HA SER 51 HA SER 51 -8.008 3.463 -10.024 431 1HB SER 51 HB2 SER 51 -9.478 5.332 -9.655 432 2HB SER 51 HB1 SER 51 -9.554 4.999 -7.927 433 HG SER 51 HG SER 51 -8.055 6.679 -8.522 434 H ILE 52 HN ILE 52 -8.954 2.712 -6.673 435 HA ILE 52 HA ILE 52 -6.392 3.145 -5.501 436 HB ILE 52 HB ILE 52 -8.568 1.205 -4.735 437 1HG1 ILE 52 HG12 ILE 52 -9.386 3.509 -4.827 438 2HG1 ILE 52 HG11 ILE 52 -9.265 2.983 -3.152 439 1HG2 ILE 52 HG21 ILE 52 -6.126 2.173 -3.287 440 2HG2 ILE 52 HG22 ILE 52 -6.660 0.515 -3.550 441 3HG2 ILE 52 HG23 ILE 52 -7.527 1.553 -2.418 442 1HD1 ILE 52 HD11 ILE 52 -8.292 5.092 -3.066 443 2HD1 ILE 52 HD12 ILE 52 -7.552 4.930 -4.656 444 3HD1 ILE 52 HD13 ILE 52 -6.872 4.072 -3.276 445 H ARG 53 HN ARG 53 -7.833 -0.038 -6.364 446 HA ARG 53 HA ARG 53 -5.318 -1.384 -5.953 447 1HB ARG 53 HB2 ARG 53 -6.428 -3.342 -6.904 448 2HB ARG 53 HB1 ARG 53 -7.505 -2.530 -5.770 449 1HG ARG 53 HG2 ARG 53 -8.523 -1.330 -7.747 450 2HG ARG 53 HG1 ARG 53 -7.590 -2.406 -8.789 451 1HD ARG 53 HD2 ARG 53 -8.639 -4.351 -7.541 452 2HD ARG 53 HD1 ARG 53 -9.705 -3.186 -6.767 453 HE ARG 53 HE ARG 53 -9.988 -2.667 -9.485 454 1HH1 ARG 53 HH21 ARG 53 -10.248 -5.401 -7.398 455 2HH1 ARG 53 HH22 ARG 53 -11.473 -6.175 -8.347 456 1HH2 ARG 53 HH11 ARG 53 -11.586 -3.664 -10.734 457 2HH2 ARG 53 HH12 ARG 53 -12.228 -5.193 -10.235 458 H HIS 54 HN HIS 54 -6.856 0.012 -8.807 459 HA HIS 54 HA HIS 54 -5.182 -1.186 -10.775 460 1HB HIS 54 HB2 HIS 54 -7.189 0.136 -11.354 461 2HB HIS 54 HB1 HIS 54 -6.388 1.599 -10.775 462 HD1 HIS 54 HD1 HIS 54 -4.796 2.759 -12.367 463 HD2 HIS 54 HD2 HIS 54 -5.880 -1.039 -13.704 464 HE1 HIS 54 HE1 HIS 54 -3.853 2.527 -14.706 465 H ASN 55 HN ASN 55 -4.738 1.699 -8.768 466 HA ASN 55 HA ASN 55 -2.297 2.562 -10.019 467 1HB ASN 55 HB2 ASN 55 -3.475 3.085 -7.279 468 2HB ASN 55 HB1 ASN 55 -2.043 3.905 -7.904 469 1HD2 ASN 55 HD21 ASN 55 -4.793 5.026 -7.291 470 2HD2 ASN 55 HD22 ASN 55 -5.300 5.757 -8.737 471 H LEU 56 HN LEU 56 -2.948 0.088 -7.631 472 HA LEU 56 HA LEU 56 -0.444 0.076 -6.291 473 1HB LEU 56 HB2 LEU 56 -2.330 -2.189 -6.963 474 2HB LEU 56 HB1 LEU 56 -0.919 -2.384 -5.926 475 HG LEU 56 HG LEU 56 -3.169 -0.412 -5.423 476 1HD1 LEU 56 HD11 LEU 56 -3.698 -2.922 -5.233 477 2HD1 LEU 56 HD12 LEU 56 -4.028 -1.933 -3.811 478 3HD1 LEU 56 HD13 LEU 56 -2.579 -2.936 -3.870 479 1HD2 LEU 56 HD21 LEU 56 -1.974 -0.639 -3.039 480 2HD2 LEU 56 HD22 LEU 56 -1.392 0.506 -4.238 481 3HD2 LEU 56 HD23 LEU 56 -0.578 -1.045 -4.036 482 H SER 57 HN SER 57 -1.417 -1.785 -9.205 483 HA SER 57 HA SER 57 1.110 -3.037 -9.583 484 1HB SER 57 HB2 SER 57 -0.919 -2.216 -11.682 485 2HB SER 57 HB1 SER 57 0.396 -3.363 -11.924 486 HG SER 57 HG SER 57 -0.886 -4.086 -9.737 487 H LEU 58 HN LEU 58 -0.115 0.099 -10.717 488 HA LEU 58 HA LEU 58 2.185 0.746 -12.323 489 1HB LEU 58 HB2 LEU 58 -0.025 2.340 -11.040 490 2HB LEU 58 HB1 LEU 58 1.342 3.178 -11.773 491 HG LEU 58 HG LEU 58 0.918 1.982 -13.901 492 1HD1 LEU 58 HD11 LEU 58 -1.360 0.821 -14.052 493 2HD1 LEU 58 HD12 LEU 58 -1.351 0.808 -12.289 494 3HD1 LEU 58 HD13 LEU 58 -0.100 -0.054 -13.181 495 1HD2 LEU 58 HD21 LEU 58 -0.133 4.191 -13.438 496 2HD2 LEU 58 HD22 LEU 58 -1.544 3.361 -12.781 497 3HD2 LEU 58 HD23 LEU 58 -1.136 3.192 -14.489 498 H ASN 59 HN ASN 59 1.347 1.317 -8.922 499 HA ASN 59 HA ASN 59 3.768 2.844 -8.400 500 1HB ASN 59 HB2 ASN 59 1.726 1.555 -6.570 501 2HB ASN 59 HB1 ASN 59 3.066 2.551 -5.999 502 1HD2 ASN 59 HD21 ASN 59 0.068 3.081 -5.955 503 2HD2 ASN 59 HD22 ASN 59 -0.117 4.575 -6.735 504 H GLU 60 HN GLU 60 5.712 1.874 -8.399 505 HA GLU 60 HA GLU 60 5.971 -0.995 -7.727 506 1HB GLU 60 HB2 GLU 60 7.984 1.080 -8.658 507 2HB GLU 60 HB1 GLU 60 8.338 -0.632 -8.426 508 1HG GLU 60 HG2 GLU 60 6.650 -1.232 -10.105 509 2HG GLU 60 HG1 GLU 60 6.233 0.470 -10.319 510 H CYS 61 HN CYS 61 5.952 1.934 -6.116 511 HA CYS 61 HA CYS 61 8.104 1.669 -4.259 512 1HB CYS 61 HB2 CYS 61 6.815 3.231 -2.852 513 2HB CYS 61 HB1 CYS 61 6.814 3.757 -4.535 514 HG CYS 61 HG CYS 61 4.375 2.855 -4.775 515 H PHE 62 HN PHE 62 4.790 0.378 -4.232 516 HA PHE 62 HA PHE 62 5.095 -0.730 -1.543 517 1HB PHE 62 HB2 PHE 62 3.048 -1.397 -3.685 518 2HB PHE 62 HB1 PHE 62 2.944 -1.825 -1.979 519 HD1 PHE 62 HD1 PHE 62 2.283 0.707 -4.452 520 HD2 PHE 62 HD2 PHE 62 2.916 0.071 -0.248 521 HE1 PHE 62 HE1 PHE 62 1.233 2.898 -3.961 522 HE2 PHE 62 HE2 PHE 62 1.862 2.263 0.240 523 HZ PHE 62 HZ PHE 62 1.021 3.676 -1.617 524 H VAL 63 HN VAL 63 5.175 -3.059 -1.117 525 HA VAL 63 HA VAL 63 6.501 -4.617 -3.323 526 HB VAL 63 HB VAL 63 6.969 -4.755 -0.329 527 1HG1 VAL 63 HG11 VAL 63 8.948 -6.169 -1.138 528 2HG1 VAL 63 HG12 VAL 63 8.105 -6.270 -2.684 529 3HG1 VAL 63 HG13 VAL 63 7.357 -6.925 -1.227 530 1HG2 VAL 63 HG21 VAL 63 9.180 -3.803 -0.892 531 2HG2 VAL 63 HG22 VAL 63 7.880 -2.709 -1.361 532 3HG2 VAL 63 HG23 VAL 63 8.696 -3.684 -2.584 533 H LYS 64 HN LYS 64 5.496 -6.502 -3.850 534 HA LYS 64 HA LYS 64 3.024 -7.256 -2.557 535 1HB LYS 64 HB2 LYS 64 4.767 -8.682 -4.584 536 2HB LYS 64 HB1 LYS 64 3.222 -9.313 -4.020 537 1HG LYS 64 HG2 LYS 64 2.091 -7.273 -4.814 538 2HG LYS 64 HG1 LYS 64 3.636 -6.637 -5.383 539 1HD LYS 64 HD2 LYS 64 3.878 -8.488 -6.945 540 2HD LYS 64 HD1 LYS 64 2.419 -9.253 -6.317 541 1HE LYS 64 HE2 LYS 64 1.041 -7.441 -7.126 542 2HE LYS 64 HE1 LYS 64 2.462 -6.501 -7.587 543 1HZ LYS 64 HZ1 LYS 64 1.160 -7.983 -9.309 544 2HZ LYS 64 HZ2 LYS 64 2.186 -9.191 -8.697 545 3HZ LYS 64 HZ3 LYS 64 2.843 -7.789 -9.399 546 H VAL 65 HN VAL 65 2.635 -8.932 -1.127 547 HA VAL 65 HA VAL 65 5.011 -10.395 -0.020 548 HB VAL 65 HB VAL 65 2.624 -9.340 1.524 549 1HG1 VAL 65 HG11 VAL 65 3.521 -11.411 2.462 550 2HG1 VAL 65 HG12 VAL 65 3.990 -10.055 3.487 551 3HG1 VAL 65 HG13 VAL 65 5.160 -10.767 2.377 552 1HG2 VAL 65 HG21 VAL 65 5.512 -8.446 1.704 553 2HG2 VAL 65 HG22 VAL 65 4.099 -7.693 2.444 554 3HG2 VAL 65 HG23 VAL 65 4.323 -7.620 0.697 555 HA PRO 66 HA PRO 66 1.951 -13.419 -1.809 556 1HB PRO 66 HB2 PRO 66 4.311 -15.119 -1.041 557 2HB PRO 66 HB1 PRO 66 3.295 -15.196 -2.495 558 1HG PRO 66 HG2 PRO 66 5.706 -14.088 -2.581 559 2HG PRO 66 HG1 PRO 66 4.352 -13.396 -3.490 560 1HD PRO 66 HD2 PRO 66 5.653 -12.386 -0.998 561 2HD PRO 66 HD1 PRO 66 4.854 -11.474 -2.298 562 H ARG 67 HN ARG 67 1.271 -15.631 -0.794 563 HA ARG 67 HA ARG 67 0.864 -15.171 2.119 564 1HB ARG 67 HB2 ARG 67 -0.482 -17.008 0.117 565 2HB ARG 67 HB1 ARG 67 -0.903 -16.917 1.828 566 1HG ARG 67 HG2 ARG 67 -1.640 -14.662 1.638 567 2HG ARG 67 HG1 ARG 67 -0.898 -14.475 0.048 568 1HD ARG 67 HD2 ARG 67 -3.098 -16.477 0.601 569 2HD ARG 67 HD1 ARG 67 -3.416 -14.835 0.032 570 HE ARG 67 HE ARG 67 -1.573 -15.764 -1.787 571 1HH1 ARG 67 HH21 ARG 67 -4.526 -16.956 -0.476 572 2HH1 ARG 67 HH22 ARG 67 -4.987 -17.792 -1.922 573 1HH2 ARG 67 HH11 ARG 67 -2.152 -16.850 -3.682 574 2HH2 ARG 67 HH12 ARG 67 -3.640 -17.735 -3.736 575 H ASP 68 HN ASP 68 1.122 -16.979 3.600 576 HA ASP 68 HA ASP 68 3.536 -18.484 3.192 577 1HB ASP 68 HB2 ASP 68 1.304 -18.714 5.225 578 2HB ASP 68 HB1 ASP 68 2.747 -19.726 5.273 579 H ASP 69 HN ASP 69 3.576 -20.945 3.325 580 HA ASP 69 HA ASP 69 2.247 -22.128 1.144 581 1HB ASP 69 HB2 ASP 69 3.346 -23.384 3.675 582 2HB ASP 69 HB1 ASP 69 2.773 -24.325 2.298 583 H LYS 70 HN LYS 70 1.224 -21.734 4.487 584 HA LYS 70 HA LYS 70 -1.209 -23.348 4.087 585 1HB LYS 70 HB2 LYS 70 -0.327 -21.571 6.390 586 2HB LYS 70 HB1 LYS 70 -1.769 -22.586 6.394 587 1HG LYS 70 HG2 LYS 70 -0.365 -24.590 6.076 588 2HG LYS 70 HG1 LYS 70 1.079 -23.578 6.075 589 1HD LYS 70 HD2 LYS 70 0.550 -22.815 8.362 590 2HD LYS 70 HD1 LYS 70 -0.893 -23.830 8.367 591 1HE LYS 70 HE2 LYS 70 1.992 -24.738 8.219 592 2HE LYS 70 HE1 LYS 70 0.829 -25.065 9.503 593 1HZ LYS 70 HZ1 LYS 70 0.755 -26.990 8.275 594 2HZ LYS 70 HZ2 LYS 70 0.964 -26.192 6.790 595 3HZ LYS 70 HZ3 LYS 70 -0.530 -26.118 7.594 596 H LYS 71 HN LYS 71 -1.313 -21.629 2.141 597 HA LYS 71 HA LYS 71 -2.419 -19.039 2.816 598 1HB LYS 71 HB2 LYS 71 -2.899 -18.926 0.356 599 2HB LYS 71 HB1 LYS 71 -1.225 -19.298 0.742 600 1HG LYS 71 HG2 LYS 71 -1.444 -21.083 -0.662 601 2HG LYS 71 HG1 LYS 71 -2.377 -21.837 0.620 602 1HD LYS 71 HD2 LYS 71 -3.836 -22.005 -1.192 603 2HD LYS 71 HD1 LYS 71 -4.396 -20.520 -0.427 604 1HE LYS 71 HE2 LYS 71 -2.683 -19.345 -2.015 605 2HE LYS 71 HE1 LYS 71 -2.751 -20.852 -2.926 606 1HZ LYS 71 HZ1 LYS 71 -4.670 -18.752 -2.765 607 2HZ LYS 71 HZ2 LYS 71 -5.361 -20.254 -2.374 608 3HZ LYS 71 HZ3 LYS 71 -4.573 -20.041 -3.864 609 HA PRO 72 HA PRO 72 -6.566 -20.793 3.254 610 1HB PRO 72 HB2 PRO 72 -7.919 -18.620 4.035 611 2HB PRO 72 HB1 PRO 72 -6.652 -19.313 5.072 612 1HG PRO 72 HG2 PRO 72 -6.493 -16.971 3.215 613 2HG PRO 72 HG1 PRO 72 -5.907 -17.117 4.882 614 1HD PRO 72 HD2 PRO 72 -4.286 -17.456 2.667 615 2HD PRO 72 HD1 PRO 72 -3.973 -18.212 4.248 616 H GLY 73 HN GLY 73 -5.565 -18.908 0.766 617 1HA GLY 73 HA2 GLY 73 -6.570 -18.888 -1.423 618 2HA GLY 73 HA1 GLY 73 -8.128 -19.262 -0.690 619 H LYS 74 HN LYS 74 -5.708 -16.665 -0.287 620 HA LYS 74 HA LYS 74 -7.857 -14.647 -0.806 621 1HB LYS 74 HB2 LYS 74 -5.806 -14.651 1.425 622 2HB LYS 74 HB1 LYS 74 -6.709 -13.218 0.938 623 1HG LYS 74 HG2 LYS 74 -8.820 -14.310 1.464 624 2HG LYS 74 HG1 LYS 74 -7.987 -15.824 1.812 625 1HD LYS 74 HD2 LYS 74 -8.394 -14.824 3.940 626 2HD LYS 74 HD1 LYS 74 -6.688 -14.541 3.603 627 1HE LYS 74 HE2 LYS 74 -7.093 -12.260 2.984 628 2HE LYS 74 HE1 LYS 74 -8.838 -12.513 2.939 629 1HZ LYS 74 HZ1 LYS 74 -7.188 -11.833 5.132 630 2HZ LYS 74 HZ2 LYS 74 -8.002 -13.290 5.454 631 3HZ LYS 74 HZ3 LYS 74 -8.882 -11.894 5.048 632 H GLY 75 HN GLY 75 -6.775 -12.439 -1.264 633 1HA GLY 75 HA2 GLY 75 -4.873 -12.808 -3.404 634 2HA GLY 75 HA1 GLY 75 -5.412 -11.253 -2.770 635 H SER 76 HN SER 76 -2.851 -11.164 -3.324 636 HA SER 76 HA SER 76 -1.147 -12.174 -1.169 637 1HB SER 76 HB2 SER 76 0.629 -10.887 -2.314 638 2HB SER 76 HB1 SER 76 -0.269 -11.882 -3.458 639 HG SER 76 HG SER 76 -0.229 -9.114 -3.106 640 H TYR 77 HN TYR 77 -0.309 -10.937 0.557 641 HA TYR 77 HA TYR 77 -1.893 -8.582 1.292 642 1HB TYR 77 HB2 TYR 77 0.545 -9.644 2.737 643 2HB TYR 77 HB1 TYR 77 -0.781 -8.698 3.408 644 HD1 TYR 77 HD1 TYR 77 0.507 -11.790 3.669 645 HD2 TYR 77 HD2 TYR 77 -3.210 -9.983 2.481 646 HE1 TYR 77 HE1 TYR 77 -0.693 -13.888 4.212 647 HE2 TYR 77 HE2 TYR 77 -4.400 -12.079 3.023 648 HH TYR 77 HH TYR 77 -2.981 -14.971 3.353 649 H TRP 78 HN TRP 78 -0.927 -6.491 1.764 650 HA TRP 78 HA TRP 78 1.519 -5.927 0.109 651 1HB TRP 78 HB2 TRP 78 -0.968 -4.259 0.584 652 2HB TRP 78 HB1 TRP 78 0.478 -3.674 -0.244 653 HD1 TRP 78 HD1 TRP 78 -2.282 -6.336 -0.576 654 HE1 TRP 78 HE1 TRP 78 -2.457 -7.019 -3.056 655 HE3 TRP 78 HE3 TRP 78 1.657 -3.710 -2.504 656 HZ2 TRP 78 HZ2 TRP 78 -1.102 -6.522 -5.530 657 HZ3 TRP 78 HZ3 TRP 78 2.188 -3.831 -4.919 658 HH2 TRP 78 HH2 TRP 78 0.813 -5.228 -6.434 659 H THR 79 HN THR 79 3.110 -4.682 1.058 660 HA THR 79 HA THR 79 2.558 -3.367 3.666 661 HB THR 79 HB THR 79 3.384 -5.752 4.043 662 HG1 THR 79 HG1 THR 79 5.389 -4.335 5.137 663 1HG2 THR 79 HG21 THR 79 6.054 -4.642 3.175 664 2HG2 THR 79 HG22 THR 79 5.028 -5.556 2.070 665 3HG2 THR 79 HG23 THR 79 5.634 -6.314 3.544 666 H LEU 80 HN LEU 80 4.326 -1.872 4.276 667 HA LEU 80 HA LEU 80 5.404 -0.495 1.941 668 1HB LEU 80 HB2 LEU 80 5.889 -0.052 4.904 669 2HB LEU 80 HB1 LEU 80 6.417 1.034 3.623 670 HG LEU 80 HG LEU 80 3.524 0.266 4.112 671 1HD1 LEU 80 HD11 LEU 80 5.196 2.579 5.099 672 2HD1 LEU 80 HD12 LEU 80 4.121 1.526 6.018 673 3HD1 LEU 80 HD13 LEU 80 3.448 2.728 4.920 674 1HD2 LEU 80 HD21 LEU 80 3.288 2.492 2.738 675 2HD2 LEU 80 HD22 LEU 80 3.652 1.000 1.882 676 3HD2 LEU 80 HD23 LEU 80 4.940 2.153 2.227 677 H ASP 81 HN ASP 81 7.843 0.090 1.974 678 HA ASP 81 HA ASP 81 9.370 -2.277 1.701 679 1HB ASP 81 HB2 ASP 81 10.459 0.491 2.309 680 2HB ASP 81 HB1 ASP 81 11.297 -0.813 1.469 681 HA PRO 82 HA PRO 82 10.313 -3.286 5.926 682 1HB PRO 82 HB2 PRO 82 12.749 -4.544 5.639 683 2HB PRO 82 HB1 PRO 82 11.207 -5.277 5.168 684 1HG PRO 82 HG2 PRO 82 13.232 -3.891 3.467 685 2HG PRO 82 HG1 PRO 82 12.336 -5.389 3.155 686 1HD PRO 82 HD2 PRO 82 11.600 -3.028 2.043 687 2HD PRO 82 HD1 PRO 82 10.405 -4.258 2.502 688 H ASP 83 HN ASP 83 12.989 -3.426 7.020 689 HA ASP 83 HA ASP 83 13.344 -0.684 7.819 690 1HB ASP 83 HB2 ASP 83 15.245 -3.034 8.107 691 2HB ASP 83 HB1 ASP 83 15.326 -1.521 9.012 692 H SER 84 HN SER 84 13.403 -0.494 5.140 693 HA SER 84 HA SER 84 15.907 -0.822 3.843 694 1HB SER 84 HB2 SER 84 13.674 -0.284 2.760 695 2HB SER 84 HB1 SER 84 13.917 1.384 3.270 696 HG SER 84 HG SER 84 15.271 -0.143 1.362 697 H TYR 85 HN TYR 85 14.655 1.860 5.823 698 HA TYR 85 HA TYR 85 16.710 3.735 5.250 699 1HB TYR 85 HB2 TYR 85 15.930 3.719 8.100 700 2HB TYR 85 HB1 TYR 85 15.718 4.982 6.893 701 HD1 TYR 85 HD1 TYR 85 14.343 1.719 8.056 702 HD2 TYR 85 HD2 TYR 85 13.590 5.376 5.932 703 HE1 TYR 85 HE1 TYR 85 11.923 1.160 7.943 704 HE2 TYR 85 HE2 TYR 85 11.177 4.813 5.813 705 HH TYR 85 HH TYR 85 9.940 1.925 6.178 706 H ASN 86 HN ASN 86 16.556 1.160 7.702 707 HA ASN 86 HA ASN 86 19.524 1.046 7.694 708 1HB ASN 86 HB2 ASN 86 18.771 2.503 9.607 709 2HB ASN 86 HB1 ASN 86 17.912 1.102 10.247 710 1HD2 ASN 86 HD21 ASN 86 19.151 0.277 11.943 711 2HD2 ASN 86 HD22 ASN 86 20.829 0.033 11.888 712 H MET 87 HN MET 87 19.103 -0.891 6.521 713 HA MET 87 HA MET 87 17.664 -3.078 7.900 714 1HB MET 87 HB2 MET 87 18.711 -4.209 5.607 715 2HB MET 87 HB1 MET 87 17.138 -3.427 5.699 716 1HG MET 87 HG2 MET 87 18.483 -2.569 3.810 717 2HG MET 87 HG1 MET 87 18.113 -1.302 4.976 718 1HE MET 87 HE1 MET 87 19.747 -0.105 3.598 719 2HE MET 87 HE2 MET 87 21.420 0.084 4.118 720 3HE MET 87 HE3 MET 87 20.111 0.463 5.233 721 H PHE 88 HN PHE 88 18.782 -4.260 9.360 722 HA PHE 88 HA PHE 88 21.625 -4.221 9.640 723 1HB PHE 88 HB2 PHE 88 19.491 -6.120 10.636 724 2HB PHE 88 HB1 PHE 88 21.198 -6.375 10.997 725 HD1 PHE 88 HD1 PHE 88 18.223 -4.434 11.762 726 HD2 PHE 88 HD2 PHE 88 22.488 -4.609 12.238 727 HE1 PHE 88 HE1 PHE 88 18.084 -2.785 13.608 728 HE2 PHE 88 HE2 PHE 88 22.349 -2.959 14.085 729 HZ PHE 88 HZ PHE 88 20.147 -2.048 14.770 730 H GLU 89 HN GLU 89 19.430 -6.447 7.974 731 HA GLU 89 HA GLU 89 21.436 -8.366 7.223 732 1HB GLU 89 HB2 GLU 89 18.742 -7.678 6.014 733 2HB GLU 89 HB1 GLU 89 19.731 -9.039 5.488 734 1HG GLU 89 HG2 GLU 89 19.677 -9.968 7.774 735 2HG GLU 89 HG1 GLU 89 18.684 -8.607 8.301 736 H ASN 90 HN ASN 90 22.252 -8.689 4.995 737 HA ASN 90 HA ASN 90 23.445 -6.343 3.898 738 1HB ASN 90 HB2 ASN 90 22.940 -9.037 2.590 739 2HB ASN 90 HB1 ASN 90 24.025 -7.795 1.964 740 1HD2 ASN 90 HD21 ASN 90 25.570 -6.953 3.951 741 2HD2 ASN 90 HD22 ASN 90 26.333 -8.217 4.788 742 H GLY 91 HN GLY 91 22.912 -5.174 1.969 743 1HA GLY 91 HA2 GLY 91 20.692 -5.748 0.285 744 2HA GLY 91 HA1 GLY 91 20.142 -4.667 1.565 745 H SER 92 HN SER 92 20.298 -2.550 1.084 746 HA SER 92 HA SER 92 21.483 -1.567 -1.302 747 1HB SER 92 HB2 SER 92 21.031 0.645 -0.434 748 2HB SER 92 HB1 SER 92 19.699 -0.408 0.030 749 HG SER 92 HG SER 92 21.669 -0.503 1.863 750 H PHE 93 HN PHE 93 22.766 -1.708 2.022 751 HA PHE 93 HA PHE 93 25.253 -0.373 1.173 752 1HB PHE 93 HB2 PHE 93 24.378 0.035 3.438 753 2HB PHE 93 HB1 PHE 93 24.518 -1.685 3.808 754 HD1 PHE 93 HD1 PHE 93 26.369 1.442 3.205 755 HD2 PHE 93 HD2 PHE 93 26.700 -2.750 4.081 756 HE1 PHE 93 HE1 PHE 93 28.757 1.754 3.797 757 HE2 PHE 93 HE2 PHE 93 29.087 -2.438 4.676 758 HZ PHE 93 HZ PHE 93 30.116 -0.186 4.534 759 H LEU 94 HN LEU 94 26.841 -1.482 0.201 760 HA LEU 94 HA LEU 94 27.117 -4.426 0.717 761 1HB LEU 94 HB2 LEU 94 27.740 -2.687 -1.670 762 2HB LEU 94 HB1 LEU 94 28.557 -4.230 -1.460 763 HG LEU 94 HG LEU 94 26.498 -4.331 -2.901 764 1HD1 LEU 94 HD11 LEU 94 25.924 -5.998 -0.471 765 2HD1 LEU 94 HD12 LEU 94 27.443 -6.244 -1.331 766 3HD1 LEU 94 HD13 LEU 94 25.911 -6.446 -2.173 767 1HD2 LEU 94 HD21 LEU 94 24.353 -3.945 -2.052 768 2HD2 LEU 94 HD22 LEU 94 25.285 -2.645 -1.316 769 3HD2 LEU 94 HD23 LEU 94 24.878 -4.083 -0.377 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -23.382 17.488 7.596 2 2H MET 1 HT2 MET 1 -21.760 17.062 7.321 3 3H MET 1 HT3 MET 1 -22.733 16.107 8.335 4 HA MET 1 HA MET 1 -23.866 15.142 6.615 5 1HB MET 1 HB2 MET 1 -23.045 17.572 4.995 6 2HB MET 1 HB1 MET 1 -23.941 16.199 4.345 7 1HG MET 1 HG2 MET 1 -25.741 16.581 5.969 8 2HG MET 1 HG1 MET 1 -24.850 17.941 6.652 9 1HE MET 1 HE1 MET 1 -26.792 20.056 5.960 10 2HE MET 1 HE2 MET 1 -27.377 18.420 6.258 11 3HE MET 1 HE3 MET 1 -27.964 19.317 4.860 12 H LEU 2 HN LEU 2 -23.001 14.248 4.345 13 HA LEU 2 HA LEU 2 -20.386 13.141 4.888 14 1HB LEU 2 HB2 LEU 2 -22.019 13.110 2.330 15 2HB LEU 2 HB1 LEU 2 -20.628 12.081 2.674 16 HG LEU 2 HG LEU 2 -23.152 12.143 4.353 17 1HD1 LEU 2 HD11 LEU 2 -22.302 10.369 2.060 18 2HD1 LEU 2 HD12 LEU 2 -23.817 11.249 2.259 19 3HD1 LEU 2 HD13 LEU 2 -23.478 9.840 3.263 20 1HD2 LEU 2 HD21 LEU 2 -21.464 11.285 5.738 21 2HD2 LEU 2 HD22 LEU 2 -20.605 10.525 4.398 22 3HD2 LEU 2 HD23 LEU 2 -22.104 9.821 5.000 23 H VAL 3 HN VAL 3 -18.402 13.710 4.025 24 HA VAL 3 HA VAL 3 -18.296 15.898 1.998 25 HB VAL 3 HB VAL 3 -16.533 17.037 3.329 26 1HG1 VAL 3 HG11 VAL 3 -19.009 16.705 5.031 27 2HG1 VAL 3 HG12 VAL 3 -19.047 17.565 3.492 28 3HG1 VAL 3 HG13 VAL 3 -18.027 18.152 4.804 29 1HG2 VAL 3 HG21 VAL 3 -16.349 16.383 5.752 30 2HG2 VAL 3 HG22 VAL 3 -15.730 15.159 4.642 31 3HG2 VAL 3 HG23 VAL 3 -17.315 14.952 5.389 32 H LYS 4 HN LYS 4 -16.416 15.828 0.707 33 HA LYS 4 HA LYS 4 -15.062 13.231 0.645 34 1HB LYS 4 HB2 LYS 4 -15.784 14.503 -1.413 35 2HB LYS 4 HB1 LYS 4 -14.530 15.689 -1.048 36 1HG LYS 4 HG2 LYS 4 -12.794 14.029 -1.276 37 2HG LYS 4 HG1 LYS 4 -13.981 12.731 -1.404 38 1HD LYS 4 HD2 LYS 4 -14.793 13.599 -3.517 39 2HD LYS 4 HD1 LYS 4 -13.776 15.033 -3.366 40 1HE LYS 4 HE2 LYS 4 -12.798 13.315 -4.893 41 2HE LYS 4 HE1 LYS 4 -11.760 13.669 -3.511 42 1HZ LYS 4 HZ1 LYS 4 -11.919 11.305 -3.832 43 2HZ LYS 4 HZ2 LYS 4 -13.616 11.365 -3.778 44 3HZ LYS 4 HZ3 LYS 4 -12.705 11.724 -2.388 45 HA PRO 5 HA PRO 5 -11.750 15.009 3.133 46 1HB PRO 5 HB2 PRO 5 -10.096 12.893 3.322 47 2HB PRO 5 HB1 PRO 5 -11.671 12.912 4.137 48 1HG PRO 5 HG2 PRO 5 -10.905 11.633 1.547 49 2HG PRO 5 HG1 PRO 5 -11.865 10.970 2.881 50 1HD PRO 5 HD2 PRO 5 -12.998 12.045 0.616 51 2HD PRO 5 HD1 PRO 5 -13.803 12.052 2.202 52 HA PRO 6 HA PRO 6 -8.744 16.267 0.063 53 1HB PRO 6 HB2 PRO 6 -6.802 17.330 1.625 54 2HB PRO 6 HB1 PRO 6 -8.405 18.079 1.486 55 1HG PRO 6 HG2 PRO 6 -7.346 16.289 3.637 56 2HG PRO 6 HG1 PRO 6 -8.258 17.803 3.788 57 1HD PRO 6 HD2 PRO 6 -9.450 15.349 4.000 58 2HD PRO 6 HD1 PRO 6 -10.297 16.778 3.363 59 H TYR 7 HN TYR 7 -8.153 13.616 2.083 60 HA TYR 7 HA TYR 7 -5.347 13.199 1.668 61 1HB TYR 7 HB2 TYR 7 -7.429 11.015 1.897 62 2HB TYR 7 HB1 TYR 7 -5.726 10.919 2.326 63 HD1 TYR 7 HD1 TYR 7 -5.101 13.149 3.970 64 HD2 TYR 7 HD2 TYR 7 -8.804 10.980 3.765 65 HE1 TYR 7 HE1 TYR 7 -5.651 13.855 6.282 66 HE2 TYR 7 HE2 TYR 7 -9.352 11.681 6.065 67 HH TYR 7 HH TYR 7 -7.284 13.953 7.837 68 H SER 8 HN SER 8 -4.250 12.100 0.031 69 HA SER 8 HA SER 8 -5.602 11.961 -2.566 70 1HB SER 8 HB2 SER 8 -3.253 12.716 -2.423 71 2HB SER 8 HB1 SER 8 -2.792 11.165 -1.730 72 HG SER 8 HG SER 8 -3.516 10.186 -3.668 73 H TYR 9 HN TYR 9 -5.402 9.844 -3.860 74 HA TYR 9 HA TYR 9 -6.669 7.722 -2.444 75 1HB TYR 9 HB2 TYR 9 -5.130 7.694 -5.059 76 2HB TYR 9 HB1 TYR 9 -6.076 6.331 -4.460 77 HD1 TYR 9 HD1 TYR 9 -6.178 9.505 -6.175 78 HD2 TYR 9 HD2 TYR 9 -8.562 6.676 -3.988 79 HE1 TYR 9 HE1 TYR 9 -8.239 10.527 -7.100 80 HE2 TYR 9 HE2 TYR 9 -10.622 7.702 -4.910 81 HH TYR 9 HH TYR 9 -10.561 10.695 -6.663 82 H ILE 10 HN ILE 10 -3.263 8.273 -3.278 83 HA ILE 10 HA ILE 10 -2.319 5.751 -2.257 84 HB ILE 10 HB ILE 10 -0.925 8.397 -2.741 85 1HG1 ILE 10 HG12 ILE 10 -0.756 5.758 -4.227 86 2HG1 ILE 10 HG11 ILE 10 -1.860 7.055 -4.683 87 1HG2 ILE 10 HG21 ILE 10 1.156 6.828 -2.653 88 2HG2 ILE 10 HG22 ILE 10 0.115 5.748 -1.727 89 3HG2 ILE 10 HG23 ILE 10 0.460 7.371 -1.129 90 1HD1 ILE 10 HD11 ILE 10 0.108 7.326 -6.032 91 2HD1 ILE 10 HD12 ILE 10 1.165 7.143 -4.633 92 3HD1 ILE 10 HD13 ILE 10 0.166 8.586 -4.800 93 H ALA 11 HN ALA 11 -2.691 8.980 -0.786 94 HA ALA 11 HA ALA 11 -1.368 8.410 1.664 95 1HB ALA 11 HB1 ALA 11 -3.675 10.267 1.018 96 2HB ALA 11 HB2 ALA 11 -1.972 10.688 1.196 97 3HB ALA 11 HB3 ALA 11 -2.913 10.208 2.607 98 H LEU 12 HN LEU 12 -4.807 7.937 0.768 99 HA LEU 12 HA LEU 12 -5.641 6.968 3.322 100 1HB LEU 12 HB2 LEU 12 -6.612 6.332 0.522 101 2HB LEU 12 HB1 LEU 12 -7.425 5.757 1.975 102 HG LEU 12 HG LEU 12 -6.847 8.685 1.446 103 1HD1 LEU 12 HD11 LEU 12 -8.309 8.040 -0.317 104 2HD1 LEU 12 HD12 LEU 12 -9.355 8.738 0.920 105 3HD1 LEU 12 HD13 LEU 12 -9.247 6.986 0.743 106 1HD2 LEU 12 HD21 LEU 12 -8.400 7.137 3.518 107 2HD2 LEU 12 HD22 LEU 12 -8.925 8.760 3.084 108 3HD2 LEU 12 HD23 LEU 12 -7.310 8.505 3.734 109 H ILE 13 HN ILE 13 -4.344 5.283 0.472 110 HA ILE 13 HA ILE 13 -4.411 2.651 1.609 111 HB ILE 13 HB ILE 13 -2.578 3.848 -0.493 112 1HG1 ILE 13 HG12 ILE 13 -5.054 2.123 -0.806 113 2HG1 ILE 13 HG11 ILE 13 -5.060 3.880 -0.950 114 1HG2 ILE 13 HG21 ILE 13 -3.108 0.974 0.310 115 2HG2 ILE 13 HG22 ILE 13 -1.566 1.828 0.373 116 3HG2 ILE 13 HG23 ILE 13 -2.297 1.444 -1.183 117 1HD1 ILE 13 HD11 ILE 13 -3.690 1.861 -2.726 118 2HD1 ILE 13 HD12 ILE 13 -3.195 3.553 -2.713 119 3HD1 ILE 13 HD13 ILE 13 -4.836 3.119 -3.180 120 H THR 14 HN THR 14 -1.861 5.137 1.469 121 HA THR 14 HA THR 14 0.135 3.627 2.825 122 HB THR 14 HB THR 14 -0.263 6.624 2.751 123 HG1 THR 14 HG1 THR 14 1.087 4.774 1.097 124 1HG2 THR 14 HG21 THR 14 2.087 4.880 3.511 125 2HG2 THR 14 HG22 THR 14 1.285 6.098 4.504 126 3HG2 THR 14 HG23 THR 14 2.250 6.589 3.112 127 H MET 15 HN MET 15 -2.383 5.819 4.098 128 HA MET 15 HA MET 15 -1.449 5.645 6.829 129 1HB MET 15 HB2 MET 15 -4.139 6.397 5.660 130 2HB MET 15 HB1 MET 15 -3.777 6.470 7.383 131 1HG MET 15 HG2 MET 15 -1.822 7.973 6.810 132 2HG MET 15 HG1 MET 15 -2.444 8.041 5.163 133 1HE MET 15 HE1 MET 15 -5.732 8.094 5.641 134 2HE MET 15 HE2 MET 15 -4.600 8.738 4.454 135 3HE MET 15 HE3 MET 15 -5.711 9.825 5.283 136 H ALA 16 HN ALA 16 -3.829 3.865 4.914 137 HA ALA 16 HA ALA 16 -4.997 2.342 6.995 138 1HB ALA 16 HB1 ALA 16 -5.809 0.908 5.270 139 2HB ALA 16 HB2 ALA 16 -4.461 1.310 4.206 140 3HB ALA 16 HB3 ALA 16 -5.704 2.513 4.546 141 H ILE 17 HN ILE 17 -2.141 1.575 4.972 142 HA ILE 17 HA ILE 17 -1.628 -0.989 6.113 143 HB ILE 17 HB ILE 17 0.371 1.036 5.044 144 1HG1 ILE 17 HG12 ILE 17 -0.931 -1.281 3.595 145 2HG1 ILE 17 HG11 ILE 17 -1.582 0.356 3.546 146 1HG2 ILE 17 HG21 ILE 17 0.484 -1.936 5.607 147 2HG2 ILE 17 HG22 ILE 17 1.571 -0.679 6.198 148 3HG2 ILE 17 HG23 ILE 17 1.608 -1.150 4.500 149 1HD1 ILE 17 HD11 ILE 17 1.311 -0.151 2.869 150 2HD1 ILE 17 HD12 ILE 17 0.285 1.206 2.400 151 3HD1 ILE 17 HD13 ILE 17 0.053 -0.376 1.656 152 H GLN 18 HN GLN 18 -0.327 2.212 6.918 153 HA GLN 18 HA GLN 18 1.245 1.407 9.161 154 1HB GLN 18 HB2 GLN 18 -0.113 4.043 8.525 155 2HB GLN 18 HB1 GLN 18 1.025 3.823 9.854 156 1HG GLN 18 HG2 GLN 18 1.715 3.111 6.999 157 2HG GLN 18 HG1 GLN 18 2.017 4.711 7.673 158 1HE2 GLN 18 HE21 GLN 18 2.974 4.230 10.200 159 2HE2 GLN 18 HE22 GLN 18 4.365 3.259 10.152 160 H ASN 19 HN ASN 19 -2.140 2.433 8.904 161 HA ASN 19 HA ASN 19 -2.605 2.309 11.778 162 1HB ASN 19 HB2 ASN 19 -4.487 2.492 9.409 163 2HB ASN 19 HB1 ASN 19 -5.009 2.574 11.092 164 1HD2 ASN 19 HD21 ASN 19 -4.272 4.551 8.534 165 2HD2 ASN 19 HD22 ASN 19 -3.743 5.924 9.377 166 H ALA 20 HN ALA 20 -2.250 -0.076 9.434 167 HA ALA 20 HA ALA 20 -4.320 -1.889 10.369 168 1HB ALA 20 HB1 ALA 20 -1.825 -2.407 8.724 169 2HB ALA 20 HB2 ALA 20 -3.431 -2.047 8.087 170 3HB ALA 20 HB3 ALA 20 -3.144 -3.554 8.959 171 HA PRO 21 HA PRO 21 -2.213 -3.134 14.197 172 1HB PRO 21 HB2 PRO 21 -3.432 -5.760 13.355 173 2HB PRO 21 HB1 PRO 21 -3.376 -5.018 14.968 174 1HG PRO 21 HG2 PRO 21 -5.585 -4.901 13.499 175 2HG PRO 21 HG1 PRO 21 -5.070 -3.521 14.484 176 1HD PRO 21 HD2 PRO 21 -4.998 -3.834 11.520 177 2HD PRO 21 HD1 PRO 21 -5.095 -2.352 12.497 178 H GLU 22 HN GLU 22 -1.893 -4.554 11.067 179 HA GLU 22 HA GLU 22 0.895 -5.395 11.701 180 1HB GLU 22 HB2 GLU 22 0.516 -7.403 10.201 181 2HB GLU 22 HB1 GLU 22 -0.332 -7.479 11.746 182 1HG GLU 22 HG2 GLU 22 -2.398 -6.718 10.694 183 2HG GLU 22 HG1 GLU 22 -1.571 -6.517 9.153 184 H LYS 23 HN LYS 23 2.313 -4.942 9.993 185 HA LYS 23 HA LYS 23 1.519 -2.983 8.080 186 1HB LYS 23 HB2 LYS 23 3.898 -4.871 8.007 187 2HB LYS 23 HB1 LYS 23 3.713 -3.437 7.000 188 1HG LYS 23 HG2 LYS 23 3.783 -3.424 10.033 189 2HG LYS 23 HG1 LYS 23 5.147 -3.024 8.992 190 1HD LYS 23 HD2 LYS 23 3.461 -1.294 7.925 191 2HD LYS 23 HD1 LYS 23 2.599 -1.487 9.452 192 1HE LYS 23 HE2 LYS 23 4.102 0.364 9.731 193 2HE LYS 23 HE1 LYS 23 4.781 -0.990 10.636 194 1HZ LYS 23 HZ1 LYS 23 6.581 -0.225 9.445 195 2HZ LYS 23 HZ2 LYS 23 5.660 0.151 8.068 196 3HZ LYS 23 HZ3 LYS 23 6.013 -1.469 8.442 197 H LYS 24 HN LYS 24 1.691 -6.503 7.904 198 HA LYS 24 HA LYS 24 1.168 -6.584 5.031 199 1HB LYS 24 HB2 LYS 24 0.960 -8.738 7.161 200 2HB LYS 24 HB1 LYS 24 0.900 -9.019 5.420 201 1HG LYS 24 HG2 LYS 24 3.171 -8.085 5.190 202 2HG LYS 24 HG1 LYS 24 3.237 -7.805 6.931 203 1HD LYS 24 HD2 LYS 24 2.940 -10.229 7.325 204 2HD LYS 24 HD1 LYS 24 2.893 -10.503 5.584 205 1HE LYS 24 HE2 LYS 24 5.175 -9.636 5.359 206 2HE LYS 24 HE1 LYS 24 5.226 -9.276 7.085 207 1HZ LYS 24 HZ1 LYS 24 4.864 -11.652 7.518 208 2HZ LYS 24 HZ2 LYS 24 6.305 -11.364 6.666 209 3HZ LYS 24 HZ3 LYS 24 4.938 -11.962 5.852 210 H ILE 25 HN ILE 25 -0.815 -6.127 4.205 211 HA ILE 25 HA ILE 25 -3.247 -7.023 5.699 212 HB ILE 25 HB ILE 25 -3.005 -4.641 6.154 213 1HG1 ILE 25 HG12 ILE 25 -5.061 -4.972 3.954 214 2HG1 ILE 25 HG11 ILE 25 -5.271 -5.643 5.573 215 1HG2 ILE 25 HG21 ILE 25 -2.891 -4.330 3.138 216 2HG2 ILE 25 HG22 ILE 25 -1.536 -4.096 4.244 217 3HG2 ILE 25 HG23 ILE 25 -2.925 -3.010 4.307 218 1HD1 ILE 25 HD11 ILE 25 -4.895 -2.721 4.861 219 2HD1 ILE 25 HD12 ILE 25 -4.930 -3.344 6.510 220 3HD1 ILE 25 HD13 ILE 25 -6.362 -3.472 5.489 221 H THR 26 HN THR 26 -5.125 -7.295 4.279 222 HA THR 26 HA THR 26 -4.310 -8.322 1.646 223 HB THR 26 HB THR 26 -6.727 -9.060 1.550 224 HG1 THR 26 HG1 THR 26 -7.884 -7.887 2.871 225 1HG2 THR 26 HG21 THR 26 -5.059 -9.845 3.955 226 2HG2 THR 26 HG22 THR 26 -5.000 -10.576 2.351 227 3HG2 THR 26 HG23 THR 26 -6.439 -10.762 3.353 228 H LEU 27 HN LEU 27 -5.571 -7.822 -0.283 229 HA LEU 27 HA LEU 27 -5.697 -5.041 -0.899 230 1HB LEU 27 HB2 LEU 27 -5.473 -7.093 -2.442 231 2HB LEU 27 HB1 LEU 27 -7.216 -7.260 -2.295 232 HG LEU 27 HG LEU 27 -7.472 -4.928 -3.172 233 1HD1 LEU 27 HD11 LEU 27 -4.477 -5.116 -3.148 234 2HD1 LEU 27 HD12 LEU 27 -5.522 -3.736 -2.814 235 3HD1 LEU 27 HD13 LEU 27 -5.236 -4.240 -4.474 236 1HD2 LEU 27 HD21 LEU 27 -6.587 -5.598 -5.531 237 2HD2 LEU 27 HD22 LEU 27 -7.796 -6.628 -4.771 238 3HD2 LEU 27 HD23 LEU 27 -6.098 -7.102 -4.758 239 H ASN 28 HN ASN 28 -8.268 -7.420 -0.345 240 HA ASN 28 HA ASN 28 -10.491 -5.670 -0.525 241 1HB ASN 28 HB2 ASN 28 -10.083 -8.272 0.949 242 2HB ASN 28 HB1 ASN 28 -11.638 -7.437 0.911 243 1HD2 ASN 28 HD21 ASN 28 -12.043 -6.612 -1.601 244 2HD2 ASN 28 HD22 ASN 28 -11.893 -7.864 -2.737 245 H GLY 29 HN GLY 29 -8.478 -6.550 2.270 246 1HA GLY 29 HA2 GLY 29 -10.027 -5.331 4.292 247 2HA GLY 29 HA1 GLY 29 -8.276 -5.512 4.363 248 H ILE 30 HN ILE 30 -7.616 -3.860 2.113 249 HA ILE 30 HA ILE 30 -7.541 -1.295 3.351 250 HB ILE 30 HB ILE 30 -7.188 -2.073 0.440 251 1HG1 ILE 30 HG12 ILE 30 -5.118 -1.411 2.555 252 2HG1 ILE 30 HG11 ILE 30 -5.627 -3.059 2.186 253 1HG2 ILE 30 HG21 ILE 30 -7.650 0.288 0.491 254 2HG2 ILE 30 HG22 ILE 30 -5.900 0.123 0.370 255 3HG2 ILE 30 HG23 ILE 30 -6.642 0.515 1.920 256 1HD1 ILE 30 HD11 ILE 30 -3.544 -2.278 0.959 257 2HD1 ILE 30 HD12 ILE 30 -4.579 -1.150 0.084 258 3HD1 ILE 30 HD13 ILE 30 -4.837 -2.886 -0.075 259 H TYR 31 HN TYR 31 -9.729 -2.595 0.850 260 HA TYR 31 HA TYR 31 -11.083 -0.161 0.278 261 1HB TYR 31 HB2 TYR 31 -11.819 -3.064 0.083 262 2HB TYR 31 HB1 TYR 31 -13.054 -1.852 -0.217 263 HD1 TYR 31 HD1 TYR 31 -12.337 0.100 -1.816 264 HD2 TYR 31 HD2 TYR 31 -10.443 -3.737 -1.719 265 HE1 TYR 31 HE1 TYR 31 -11.484 0.472 -4.103 266 HE2 TYR 31 HE2 TYR 31 -9.591 -3.377 -4.019 267 HH TYR 31 HH TYR 31 -9.146 -0.866 -5.438 268 H GLN 32 HN GLN 32 -11.729 -2.561 2.825 269 HA GLN 32 HA GLN 32 -14.176 -1.411 3.741 270 1HB GLN 32 HB2 GLN 32 -12.071 -3.091 5.101 271 2HB GLN 32 HB1 GLN 32 -13.556 -2.600 5.916 272 1HG GLN 32 HG2 GLN 32 -13.519 -4.042 3.253 273 2HG GLN 32 HG1 GLN 32 -13.659 -4.875 4.801 274 1HE2 GLN 32 HE21 GLN 32 -15.625 -4.149 2.392 275 2HE2 GLN 32 HE22 GLN 32 -17.023 -3.655 3.218 276 H PHE 33 HN PHE 33 -10.811 -0.708 4.599 277 HA PHE 33 HA PHE 33 -11.297 0.933 6.861 278 1HB PHE 33 HB2 PHE 33 -9.065 0.125 6.195 279 2HB PHE 33 HB1 PHE 33 -9.108 1.165 4.773 280 HD1 PHE 33 HD1 PHE 33 -8.762 1.045 8.430 281 HD2 PHE 33 HD2 PHE 33 -8.908 3.604 4.983 282 HE1 PHE 33 HE1 PHE 33 -7.851 2.914 9.780 283 HE2 PHE 33 HE2 PHE 33 -7.999 5.474 6.334 284 HZ PHE 33 HZ PHE 33 -7.469 5.129 8.732 285 H ILE 34 HN ILE 34 -11.073 1.858 3.407 286 HA ILE 34 HA ILE 34 -11.455 4.666 3.915 287 HB ILE 34 HB ILE 34 -11.846 3.015 1.409 288 1HG1 ILE 34 HG12 ILE 34 -9.593 4.869 2.232 289 2HG1 ILE 34 HG11 ILE 34 -9.556 3.125 2.489 290 1HG2 ILE 34 HG21 ILE 34 -13.104 5.049 1.122 291 2HG2 ILE 34 HG22 ILE 34 -11.569 5.270 0.282 292 3HG2 ILE 34 HG23 ILE 34 -11.823 6.010 1.862 293 1HD1 ILE 34 HD11 ILE 34 -8.422 3.928 0.363 294 2HD1 ILE 34 HD12 ILE 34 -10.023 4.376 -0.226 295 3HD1 ILE 34 HD13 ILE 34 -9.654 2.688 0.135 296 H MET 35 HN MET 35 -13.791 2.234 2.627 297 HA MET 35 HA MET 35 -15.988 4.044 2.523 298 1HB MET 35 HB2 MET 35 -15.896 1.042 2.841 299 2HB MET 35 HB1 MET 35 -17.403 1.937 2.655 300 1HG MET 35 HG2 MET 35 -16.551 2.892 0.525 301 2HG MET 35 HG1 MET 35 -15.087 1.927 0.704 302 1HE MET 35 HE1 MET 35 -14.801 -0.320 -0.283 303 2HE MET 35 HE2 MET 35 -15.964 -1.606 0.027 304 3HE MET 35 HE3 MET 35 -15.315 -0.670 1.372 305 H ASP 36 HN ASP 36 -14.893 1.938 5.187 306 HA ASP 36 HA ASP 36 -17.147 2.368 6.871 307 1HB ASP 36 HB2 ASP 36 -14.256 1.821 7.600 308 2HB ASP 36 HB1 ASP 36 -15.614 1.708 8.720 309 H ARG 37 HN ARG 37 -14.000 4.093 6.848 310 HA ARG 37 HA ARG 37 -14.824 5.969 8.873 311 1HB ARG 37 HB2 ARG 37 -12.573 6.016 6.861 312 2HB ARG 37 HB1 ARG 37 -12.806 7.274 8.076 313 1HG ARG 37 HG2 ARG 37 -12.693 5.570 9.857 314 2HG ARG 37 HG1 ARG 37 -12.444 4.317 8.646 315 1HD ARG 37 HD2 ARG 37 -10.359 5.297 7.950 316 2HD ARG 37 HD1 ARG 37 -10.621 6.722 8.945 317 HE ARG 37 HE ARG 37 -9.446 4.210 9.756 318 1HH1 ARG 37 HH21 ARG 37 -11.600 6.667 10.869 319 2HH1 ARG 37 HH22 ARG 37 -11.439 6.220 12.535 320 1HH2 ARG 37 HH11 ARG 37 -9.222 3.634 11.903 321 2HH2 ARG 37 HH12 ARG 37 -10.092 4.508 13.120 322 H PHE 38 HN PHE 38 -14.809 6.134 5.316 323 HA PHE 38 HA PHE 38 -16.389 8.683 5.529 324 1HB PHE 38 HB2 PHE 38 -14.387 7.834 3.414 325 2HB PHE 38 HB1 PHE 38 -15.434 9.247 3.292 326 HD1 PHE 38 HD1 PHE 38 -12.384 7.915 4.699 327 HD2 PHE 38 HD2 PHE 38 -15.318 11.025 5.099 328 HE1 PHE 38 HE1 PHE 38 -10.798 9.234 6.082 329 HE2 PHE 38 HE2 PHE 38 -13.737 12.341 6.483 330 HZ PHE 38 HZ PHE 38 -11.481 11.445 6.976 331 HA PRO 39 HA PRO 39 -19.165 5.415 3.698 332 1HB PRO 39 HB2 PRO 39 -21.082 7.515 4.659 333 2HB PRO 39 HB1 PRO 39 -21.182 5.749 4.807 334 1HG PRO 39 HG2 PRO 39 -20.525 7.247 6.896 335 2HG PRO 39 HG1 PRO 39 -19.733 5.686 6.612 336 1HD PRO 39 HD2 PRO 39 -18.662 8.451 6.153 337 2HD PRO 39 HD1 PRO 39 -17.808 6.989 6.694 338 H PHE 40 HN PHE 40 -18.205 8.531 3.018 339 HA PHE 40 HA PHE 40 -20.031 9.446 1.044 340 1HB PHE 40 HB2 PHE 40 -18.405 10.992 1.799 341 2HB PHE 40 HB1 PHE 40 -17.084 9.851 1.564 342 HD1 PHE 40 HD1 PHE 40 -19.703 11.744 -0.331 343 HD2 PHE 40 HD2 PHE 40 -15.806 9.924 -0.407 344 HE1 PHE 40 HE1 PHE 40 -19.319 12.661 -2.602 345 HE2 PHE 40 HE2 PHE 40 -15.429 10.843 -2.682 346 HZ PHE 40 HZ PHE 40 -17.183 12.210 -3.778 347 H TYR 41 HN TYR 41 -17.244 7.279 0.874 348 HA TYR 41 HA TYR 41 -17.293 6.949 -1.986 349 1HB TYR 41 HB2 TYR 41 -16.093 5.320 0.261 350 2HB TYR 41 HB1 TYR 41 -15.867 4.923 -1.443 351 HD1 TYR 41 HD1 TYR 41 -14.578 6.356 -2.915 352 HD2 TYR 41 HD2 TYR 41 -15.148 7.376 1.212 353 HE1 TYR 41 HE1 TYR 41 -12.801 8.070 -3.110 354 HE2 TYR 41 HE2 TYR 41 -13.383 9.100 1.035 355 HH TYR 41 HH TYR 41 -12.384 10.515 -1.007 356 H ARG 42 HN ARG 42 -18.989 5.343 0.657 357 HA ARG 42 HA ARG 42 -19.760 2.998 -0.747 358 1HB ARG 42 HB2 ARG 42 -21.163 4.552 1.438 359 2HB ARG 42 HB1 ARG 42 -21.745 3.001 0.832 360 1HG ARG 42 HG2 ARG 42 -19.569 1.972 1.401 361 2HG ARG 42 HG1 ARG 42 -19.013 3.520 2.039 362 1HD ARG 42 HD2 ARG 42 -19.817 2.094 3.869 363 2HD ARG 42 HD1 ARG 42 -20.875 3.492 3.679 364 HE ARG 42 HE ARG 42 -22.059 1.551 2.097 365 1HH1 ARG 42 HH21 ARG 42 -20.971 1.790 5.362 366 2HH1 ARG 42 HH22 ARG 42 -22.159 0.690 5.975 367 1HH2 ARG 42 HH11 ARG 42 -23.620 0.122 2.884 368 2HH2 ARG 42 HH12 ARG 42 -23.658 -0.252 4.574 369 H GLU 43 HN GLU 43 -21.236 6.242 -0.667 370 HA GLU 43 HA GLU 43 -23.560 5.571 -2.176 371 1HB GLU 43 HB2 GLU 43 -22.021 8.160 -1.933 372 2HB GLU 43 HB1 GLU 43 -23.558 8.027 -2.789 373 1HG GLU 43 HG2 GLU 43 -24.636 7.202 -0.725 374 2HG GLU 43 HG1 GLU 43 -23.099 7.342 0.130 375 H ASN 44 HN ASN 44 -20.361 6.583 -3.142 376 HA ASN 44 HA ASN 44 -21.038 6.047 -6.018 377 1HB ASN 44 HB2 ASN 44 -18.772 7.670 -4.816 378 2HB ASN 44 HB1 ASN 44 -19.042 7.417 -6.539 379 1HD2 ASN 44 HD21 ASN 44 -21.612 7.908 -7.052 380 2HD2 ASN 44 HD22 ASN 44 -22.129 9.415 -6.465 381 H LYS 45 HN LYS 45 -20.705 3.683 -5.431 382 HA LYS 45 HA LYS 45 -18.094 2.791 -4.580 383 1HB LYS 45 HB2 LYS 45 -20.329 1.341 -6.030 384 2HB LYS 45 HB1 LYS 45 -18.890 0.553 -5.383 385 1HG LYS 45 HG2 LYS 45 -19.453 1.370 -3.124 386 2HG LYS 45 HG1 LYS 45 -20.894 2.155 -3.772 387 1HD LYS 45 HD2 LYS 45 -21.765 -0.031 -4.505 388 2HD LYS 45 HD1 LYS 45 -20.325 -0.823 -3.860 389 1HE LYS 45 HE2 LYS 45 -22.120 -1.003 -2.224 390 2HE LYS 45 HE1 LYS 45 -20.892 0.099 -1.603 391 1HZ LYS 45 HZ1 LYS 45 -23.383 0.916 -2.996 392 2HZ LYS 45 HZ2 LYS 45 -22.210 1.963 -2.354 393 3HZ LYS 45 HZ3 LYS 45 -23.134 0.980 -1.320 394 H GLN 46 HN GLN 46 -19.616 3.190 -7.767 395 HA GLN 46 HA GLN 46 -17.332 2.080 -9.184 396 1HB GLN 46 HB2 GLN 46 -19.732 3.688 -10.089 397 2HB GLN 46 HB1 GLN 46 -18.511 3.063 -11.197 398 1HG GLN 46 HG2 GLN 46 -18.954 0.771 -10.403 399 2HG GLN 46 HG1 GLN 46 -20.174 1.391 -9.291 400 1HE2 GLN 46 HE21 GLN 46 -20.559 -0.461 -11.632 401 2HE2 GLN 46 HE22 GLN 46 -21.686 0.315 -12.638 402 H GLY 47 HN GLY 47 -15.760 3.221 -10.373 403 1HA GLY 47 HA2 GLY 47 -14.805 5.292 -11.250 404 2HA GLY 47 HA1 GLY 47 -15.605 6.179 -9.957 405 H TRP 48 HN TRP 48 -14.879 5.182 -7.659 406 HA TRP 48 HA TRP 48 -11.943 5.510 -7.630 407 1HB TRP 48 HB2 TRP 48 -12.164 5.995 -5.346 408 2HB TRP 48 HB1 TRP 48 -13.616 6.680 -6.067 409 HD1 TRP 48 HD1 TRP 48 -15.906 5.181 -5.812 410 HE1 TRP 48 HE1 TRP 48 -16.627 3.622 -3.891 411 HE3 TRP 48 HE3 TRP 48 -11.382 4.371 -3.589 412 HZ2 TRP 48 HZ2 TRP 48 -15.439 2.216 -1.695 413 HZ3 TRP 48 HZ3 TRP 48 -11.205 2.918 -1.595 414 HH2 TRP 48 HH2 TRP 48 -13.219 1.842 -0.641 415 H GLN 49 HN GLN 49 -14.127 2.893 -7.665 416 HA GLN 49 HA GLN 49 -12.808 1.112 -5.861 417 1HB GLN 49 HB2 GLN 49 -15.075 0.695 -6.727 418 2HB GLN 49 HB1 GLN 49 -14.418 0.467 -8.346 419 1HG GLN 49 HG2 GLN 49 -13.134 -1.474 -7.595 420 2HG GLN 49 HG1 GLN 49 -13.675 -1.216 -5.935 421 1HE2 GLN 49 HE21 GLN 49 -14.278 -3.685 -7.070 422 2HE2 GLN 49 HE22 GLN 49 -15.934 -3.776 -7.430 423 H ASN 50 HN ASN 50 -12.577 1.217 -9.444 424 HA ASN 50 HA ASN 50 -10.375 -0.646 -9.515 425 1HB ASN 50 HB2 ASN 50 -11.316 1.376 -11.572 426 2HB ASN 50 HB1 ASN 50 -10.159 0.083 -11.883 427 1HD2 ASN 50 HD21 ASN 50 -13.411 0.821 -12.153 428 2HD2 ASN 50 HD22 ASN 50 -14.046 -0.753 -12.147 429 H SER 51 HN SER 51 -10.577 2.860 -9.328 430 HA SER 51 HA SER 51 -7.941 3.534 -10.092 431 1HB SER 51 HB2 SER 51 -9.831 5.136 -9.631 432 2HB SER 51 HB1 SER 51 -9.553 4.878 -7.911 433 HG SER 51 HG SER 51 -7.250 5.422 -8.581 434 H ILE 52 HN ILE 52 -9.181 2.498 -6.924 435 HA ILE 52 HA ILE 52 -6.823 2.996 -5.425 436 HB ILE 52 HB ILE 52 -8.954 0.868 -5.105 437 1HG1 ILE 52 HG12 ILE 52 -9.456 3.447 -4.990 438 2HG1 ILE 52 HG11 ILE 52 -10.106 2.384 -3.748 439 1HG2 ILE 52 HG21 ILE 52 -7.085 0.082 -3.864 440 2HG2 ILE 52 HG22 ILE 52 -8.141 0.869 -2.691 441 3HG2 ILE 52 HG23 ILE 52 -6.700 1.700 -3.275 442 1HD1 ILE 52 HD11 ILE 52 -8.541 3.096 -2.146 443 2HD1 ILE 52 HD12 ILE 52 -8.941 4.581 -3.006 444 3HD1 ILE 52 HD13 ILE 52 -7.436 3.736 -3.361 445 H ARG 53 HN ARG 53 -7.833 -0.025 -7.066 446 HA ARG 53 HA ARG 53 -5.381 -1.405 -6.413 447 1HB ARG 53 HB2 ARG 53 -7.532 -1.916 -8.482 448 2HB ARG 53 HB1 ARG 53 -6.165 -3.002 -8.212 449 1HG ARG 53 HG2 ARG 53 -6.801 -3.371 -5.937 450 2HG ARG 53 HG1 ARG 53 -8.012 -2.107 -6.003 451 1HD ARG 53 HD2 ARG 53 -8.990 -4.401 -6.195 452 2HD ARG 53 HD1 ARG 53 -9.338 -3.379 -7.595 453 HE ARG 53 HE ARG 53 -7.041 -4.692 -8.352 454 1HH1 ARG 53 HH21 ARG 53 -10.077 -5.640 -7.020 455 2HH1 ARG 53 HH22 ARG 53 -10.110 -7.166 -7.839 456 1HH2 ARG 53 HH11 ARG 53 -7.072 -6.678 -9.434 457 2HH2 ARG 53 HH12 ARG 53 -8.411 -7.751 -9.208 458 H HIS 54 HN HIS 54 -6.419 0.530 -9.206 459 HA HIS 54 HA HIS 54 -4.281 -0.163 -10.949 460 1HB HIS 54 HB2 HIS 54 -5.949 2.343 -10.669 461 2HB HIS 54 HB1 HIS 54 -4.695 2.196 -11.901 462 HD1 HIS 54 HD1 HIS 54 -5.173 -0.875 -12.483 463 HD2 HIS 54 HD2 HIS 54 -8.134 2.057 -12.431 464 HE1 HIS 54 HE1 HIS 54 -7.083 -1.765 -13.886 465 H ASN 55 HN ASN 55 -4.441 2.319 -8.373 466 HA ASN 55 HA ASN 55 -1.825 3.367 -9.001 467 1HB ASN 55 HB2 ASN 55 -1.945 4.550 -6.921 468 2HB ASN 55 HB1 ASN 55 -3.582 4.529 -7.570 469 1HD2 ASN 55 HD21 ASN 55 -1.481 2.611 -5.347 470 2HD2 ASN 55 HD22 ASN 55 -2.741 2.189 -4.291 471 H LEU 56 HN LEU 56 -3.007 0.823 -6.823 472 HA LEU 56 HA LEU 56 -0.528 0.231 -5.563 473 1HB LEU 56 HB2 LEU 56 -2.958 -1.448 -6.166 474 2HB LEU 56 HB1 LEU 56 -1.559 -2.125 -5.338 475 HG LEU 56 HG LEU 56 -3.022 0.366 -4.414 476 1HD1 LEU 56 HD11 LEU 56 -3.933 -1.181 -2.629 477 2HD1 LEU 56 HD12 LEU 56 -3.338 -2.533 -3.593 478 3HD1 LEU 56 HD13 LEU 56 -4.578 -1.462 -4.244 479 1HD2 LEU 56 HD21 LEU 56 -0.695 -1.239 -3.401 480 2HD2 LEU 56 HD22 LEU 56 -1.810 -0.590 -2.205 481 3HD2 LEU 56 HD23 LEU 56 -0.988 0.497 -3.316 482 H SER 57 HN SER 57 -1.979 -1.201 -8.506 483 HA SER 57 HA SER 57 0.277 -2.922 -9.014 484 1HB SER 57 HB2 SER 57 -0.795 -3.442 -11.074 485 2HB SER 57 HB1 SER 57 -2.102 -3.146 -9.932 486 HG SER 57 HG SER 57 -2.318 -2.043 -11.980 487 H LEU 58 HN LEU 58 -0.634 0.299 -10.248 488 HA LEU 58 HA LEU 58 1.575 0.472 -12.091 489 1HB LEU 58 HB2 LEU 58 -0.121 2.607 -10.779 490 2HB LEU 58 HB1 LEU 58 1.065 2.937 -12.040 491 HG LEU 58 HG LEU 58 -1.185 0.938 -12.374 492 1HD1 LEU 58 HD11 LEU 58 -1.140 3.778 -13.427 493 2HD1 LEU 58 HD12 LEU 58 -1.994 3.310 -11.957 494 3HD1 LEU 58 HD13 LEU 58 -2.470 2.623 -13.508 495 1HD2 LEU 58 HD21 LEU 58 0.905 2.140 -14.185 496 2HD2 LEU 58 HD22 LEU 58 -0.642 1.639 -14.864 497 3HD2 LEU 58 HD23 LEU 58 0.377 0.463 -14.047 498 H ASN 59 HN ASN 59 1.116 1.513 -8.724 499 HA ASN 59 HA ASN 59 3.735 2.765 -8.574 500 1HB ASN 59 HB2 ASN 59 1.736 1.896 -6.477 501 2HB ASN 59 HB1 ASN 59 3.268 2.669 -6.070 502 1HD2 ASN 59 HD21 ASN 59 0.707 3.898 -5.514 503 2HD2 ASN 59 HD22 ASN 59 0.583 5.294 -6.473 504 H GLU 60 HN GLU 60 5.593 1.647 -8.543 505 HA GLU 60 HA GLU 60 5.593 -1.240 -8.014 506 1HB GLU 60 HB2 GLU 60 7.839 0.681 -8.708 507 2HB GLU 60 HB1 GLU 60 7.966 -1.080 -8.687 508 1HG GLU 60 HG2 GLU 60 6.254 -1.258 -10.426 509 2HG GLU 60 HG1 GLU 60 6.031 0.491 -10.419 510 H CYS 61 HN CYS 61 5.928 1.569 -6.168 511 HA CYS 61 HA CYS 61 7.958 0.859 -4.304 512 1HB CYS 61 HB2 CYS 61 5.427 2.492 -3.984 513 2HB CYS 61 HB1 CYS 61 6.651 2.349 -2.723 514 HG CYS 61 HG CYS 61 7.530 4.353 -3.982 515 H PHE 62 HN PHE 62 4.496 0.046 -4.419 516 HA PHE 62 HA PHE 62 4.605 -1.411 -1.888 517 1HB PHE 62 HB2 PHE 62 2.498 -1.516 -4.072 518 2HB PHE 62 HB1 PHE 62 2.308 -2.038 -2.397 519 HD1 PHE 62 HD1 PHE 62 2.139 -0.408 -0.572 520 HD2 PHE 62 HD2 PHE 62 2.616 0.842 -4.645 521 HE1 PHE 62 HE1 PHE 62 1.513 1.907 0.067 522 HE2 PHE 62 HE2 PHE 62 1.985 3.158 -4.016 523 HZ PHE 62 HZ PHE 62 1.436 3.690 -1.656 524 H VAL 63 HN VAL 63 4.845 -3.633 -1.640 525 HA VAL 63 HA VAL 63 5.551 -5.198 -4.106 526 HB VAL 63 HB VAL 63 6.463 -5.700 -1.263 527 1HG1 VAL 63 HG11 VAL 63 7.284 -6.772 -3.975 528 2HG1 VAL 63 HG12 VAL 63 6.582 -7.678 -2.634 529 3HG1 VAL 63 HG13 VAL 63 8.219 -7.033 -2.502 530 1HG2 VAL 63 HG21 VAL 63 7.758 -4.157 -3.526 531 2HG2 VAL 63 HG22 VAL 63 8.663 -4.774 -2.143 532 3HG2 VAL 63 HG23 VAL 63 7.390 -3.578 -1.902 533 H LYS 64 HN LYS 64 4.301 -6.956 -4.523 534 HA LYS 64 HA LYS 64 2.044 -7.576 -2.803 535 1HB LYS 64 HB2 LYS 64 3.153 -9.074 -5.198 536 2HB LYS 64 HB1 LYS 64 1.579 -9.351 -4.452 537 1HG LYS 64 HG2 LYS 64 0.936 -7.015 -4.949 538 2HG LYS 64 HG1 LYS 64 2.503 -6.749 -5.702 539 1HD LYS 64 HD2 LYS 64 1.162 -7.231 -7.557 540 2HD LYS 64 HD1 LYS 64 1.870 -8.802 -7.198 541 1HE LYS 64 HE2 LYS 64 -0.809 -7.966 -6.060 542 2HE LYS 64 HE1 LYS 64 -0.660 -8.735 -7.635 543 1HZ LYS 64 HZ1 LYS 64 -0.169 -9.846 -4.975 544 2HZ LYS 64 HZ2 LYS 64 0.788 -10.412 -6.259 545 3HZ LYS 64 HZ3 LYS 64 -0.903 -10.557 -6.328 546 H VAL 65 HN VAL 65 1.885 -9.177 -1.291 547 HA VAL 65 HA VAL 65 4.170 -11.092 -0.984 548 HB VAL 65 HB VAL 65 2.709 -9.516 1.152 549 1HG1 VAL 65 HG11 VAL 65 3.092 -11.652 2.115 550 2HG1 VAL 65 HG12 VAL 65 4.456 -10.671 2.646 551 3HG1 VAL 65 HG13 VAL 65 4.658 -11.818 1.322 552 1HG2 VAL 65 HG21 VAL 65 4.538 -8.386 -0.198 553 2HG2 VAL 65 HG22 VAL 65 5.656 -9.583 0.457 554 3HG2 VAL 65 HG23 VAL 65 4.833 -8.461 1.539 555 HA PRO 66 HA PRO 66 0.474 -13.731 -0.894 556 1HB PRO 66 HB2 PRO 66 1.635 -16.148 -1.062 557 2HB PRO 66 HB1 PRO 66 1.674 -15.021 -2.436 558 1HG PRO 66 HG2 PRO 66 3.797 -15.596 -0.409 559 2HG PRO 66 HG1 PRO 66 3.944 -15.433 -2.169 560 1HD PRO 66 HD2 PRO 66 4.519 -13.389 -0.395 561 2HD PRO 66 HD1 PRO 66 4.017 -13.122 -2.079 562 H ARG 67 HN ARG 67 -0.312 -15.620 0.500 563 HA ARG 67 HA ARG 67 0.139 -15.063 3.302 564 1HB ARG 67 HB2 ARG 67 -1.363 -17.192 1.784 565 2HB ARG 67 HB1 ARG 67 -1.239 -17.234 3.543 566 1HG ARG 67 HG2 ARG 67 -2.376 -15.178 3.781 567 2HG ARG 67 HG1 ARG 67 -2.185 -14.772 2.080 568 1HD ARG 67 HD2 ARG 67 -3.838 -16.277 1.400 569 2HD ARG 67 HD1 ARG 67 -3.696 -17.267 2.847 570 HE ARG 67 HE ARG 67 -5.452 -15.001 2.421 571 1HH1 ARG 67 HH21 ARG 67 -3.452 -16.486 4.810 572 2HH1 ARG 67 HH22 ARG 67 -4.237 -15.696 6.135 573 1HH2 ARG 67 HH11 ARG 67 -6.473 -13.966 4.132 574 2HH2 ARG 67 HH12 ARG 67 -5.940 -14.268 5.752 575 H ASP 68 HN ASP 68 0.008 -18.380 2.798 576 HA ASP 68 HA ASP 68 2.934 -18.803 2.951 577 1HB ASP 68 HB2 ASP 68 2.765 -20.132 5.009 578 2HB ASP 68 HB1 ASP 68 2.210 -18.484 5.304 579 H ASP 69 HN ASP 69 3.369 -21.246 2.997 580 HA ASP 69 HA ASP 69 1.995 -22.467 0.799 581 1HB ASP 69 HB2 ASP 69 3.909 -23.576 2.866 582 2HB ASP 69 HB1 ASP 69 3.313 -24.515 1.495 583 H LYS 70 HN LYS 70 1.633 -22.777 4.302 584 HA LYS 70 HA LYS 70 0.100 -25.161 4.346 585 1HB LYS 70 HB2 LYS 70 0.071 -22.745 6.169 586 2HB LYS 70 HB1 LYS 70 -0.827 -24.224 6.509 587 1HG LYS 70 HG2 LYS 70 1.267 -25.525 6.406 588 2HG LYS 70 HG1 LYS 70 2.167 -24.046 6.070 589 1HD LYS 70 HD2 LYS 70 1.449 -23.111 8.236 590 2HD LYS 70 HD1 LYS 70 0.550 -24.590 8.577 591 1HE LYS 70 HE2 LYS 70 3.548 -24.329 8.209 592 2HE LYS 70 HE1 LYS 70 2.695 -24.745 9.695 593 1HZ LYS 70 HZ1 LYS 70 1.739 -26.596 8.052 594 2HZ LYS 70 HZ2 LYS 70 3.127 -26.825 9.005 595 3HZ LYS 70 HZ3 LYS 70 3.277 -26.385 7.370 596 H LYS 71 HN LYS 71 -0.947 -21.791 3.876 597 HA LYS 71 HA LYS 71 -3.675 -22.823 3.164 598 1HB LYS 71 HB2 LYS 71 -2.823 -20.187 4.378 599 2HB LYS 71 HB1 LYS 71 -4.444 -20.501 3.758 600 1HG LYS 71 HG2 LYS 71 -4.716 -22.360 5.331 601 2HG LYS 71 HG1 LYS 71 -3.071 -22.122 5.922 602 1HD LYS 71 HD2 LYS 71 -3.620 -19.954 6.812 603 2HD LYS 71 HD1 LYS 71 -5.199 -19.970 6.025 604 1HE LYS 71 HE2 LYS 71 -4.347 -21.998 8.109 605 2HE LYS 71 HE1 LYS 71 -5.266 -20.540 8.483 606 1HZ LYS 71 HZ1 LYS 71 -6.099 -22.955 7.082 607 2HZ LYS 71 HZ2 LYS 71 -6.722 -21.485 6.500 608 3HZ LYS 71 HZ3 LYS 71 -6.982 -21.940 8.116 609 HA PRO 72 HA PRO 72 -2.318 -21.597 -1.012 610 1HB PRO 72 HB2 PRO 72 -5.303 -21.257 -1.219 611 2HB PRO 72 HB1 PRO 72 -4.174 -21.978 -2.384 612 1HG PRO 72 HG2 PRO 72 -5.667 -23.514 -0.820 613 2HG PRO 72 HG1 PRO 72 -3.986 -23.948 -1.184 614 1HD PRO 72 HD2 PRO 72 -5.146 -22.911 1.361 615 2HD PRO 72 HD1 PRO 72 -3.711 -23.930 1.110 616 H GLY 73 HN GLY 73 -2.531 -19.603 -2.354 617 1HA GLY 73 HA2 GLY 73 -2.503 -17.224 -0.712 618 2HA GLY 73 HA1 GLY 73 -2.366 -17.259 -2.470 619 H LYS 74 HN LYS 74 -4.743 -17.516 0.167 620 HA LYS 74 HA LYS 74 -7.075 -17.323 -1.448 621 1HB LYS 74 HB2 LYS 74 -6.547 -16.430 1.394 622 2HB LYS 74 HB1 LYS 74 -8.148 -16.403 0.652 623 1HG LYS 74 HG2 LYS 74 -7.988 -18.829 0.221 624 2HG LYS 74 HG1 LYS 74 -6.391 -18.855 0.968 625 1HD LYS 74 HD2 LYS 74 -7.366 -18.068 3.094 626 2HD LYS 74 HD1 LYS 74 -8.966 -18.046 2.349 627 1HE LYS 74 HE2 LYS 74 -8.835 -20.126 3.509 628 2HE LYS 74 HE1 LYS 74 -8.592 -20.517 1.806 629 1HZ LYS 74 HZ1 LYS 74 -6.748 -20.698 4.020 630 2HZ LYS 74 HZ2 LYS 74 -6.090 -19.992 2.623 631 3HZ LYS 74 HZ3 LYS 74 -6.769 -21.548 2.553 632 H GLY 75 HN GLY 75 -5.001 -14.930 -0.025 633 1HA GLY 75 HA2 GLY 75 -6.003 -12.881 -1.929 634 2HA GLY 75 HA1 GLY 75 -6.053 -12.493 -0.206 635 H SER 76 HN SER 76 -4.446 -11.044 -2.075 636 HA SER 76 HA SER 76 -1.666 -11.989 -1.542 637 1HB SER 76 HB2 SER 76 -1.952 -11.381 -3.820 638 2HB SER 76 HB1 SER 76 -2.859 -9.929 -3.404 639 HG SER 76 HG SER 76 -0.921 -9.134 -2.439 640 H TYR 77 HN TYR 77 -0.685 -11.188 0.237 641 HA TYR 77 HA TYR 77 -1.763 -8.896 1.684 642 1HB TYR 77 HB2 TYR 77 0.786 -10.499 2.039 643 2HB TYR 77 HB1 TYR 77 0.280 -9.214 3.117 644 HD1 TYR 77 HD1 TYR 77 0.675 -11.320 4.649 645 HD2 TYR 77 HD2 TYR 77 -2.695 -10.902 1.995 646 HE1 TYR 77 HE1 TYR 77 -0.610 -12.939 6.003 647 HE2 TYR 77 HE2 TYR 77 -3.963 -12.496 3.367 648 HH TYR 77 HH TYR 77 -3.978 -13.365 5.645 649 H TRP 78 HN TRP 78 -0.771 -6.863 1.930 650 HA TRP 78 HA TRP 78 1.266 -6.161 -0.164 651 1HB TRP 78 HB2 TRP 78 -1.037 -4.531 0.947 652 2HB TRP 78 HB1 TRP 78 0.191 -3.907 -0.154 653 HD1 TRP 78 HD1 TRP 78 -2.628 -6.517 0.000 654 HE1 TRP 78 HE1 TRP 78 -3.407 -7.020 -2.405 655 HE3 TRP 78 HE3 TRP 78 0.813 -3.811 -2.622 656 HZ2 TRP 78 HZ2 TRP 78 -2.666 -6.356 -5.092 657 HZ3 TRP 78 HZ3 TRP 78 0.757 -3.762 -5.097 658 HH2 TRP 78 HH2 TRP 78 -0.975 -5.028 -6.335 659 H THR 79 HN THR 79 3.005 -4.898 0.512 660 HA THR 79 HA THR 79 3.010 -3.837 3.291 661 HB THR 79 HB THR 79 4.000 -6.148 3.330 662 HG1 THR 79 HG1 THR 79 5.674 -5.497 4.580 663 1HG2 THR 79 HG21 THR 79 6.212 -4.916 1.668 664 2HG2 THR 79 HG22 THR 79 4.958 -5.959 0.996 665 3HG2 THR 79 HG23 THR 79 6.076 -6.590 2.206 666 H LEU 80 HN LEU 80 4.797 -2.276 3.620 667 HA LEU 80 HA LEU 80 5.284 -0.735 1.152 668 1HB LEU 80 HB2 LEU 80 6.067 -0.158 4.027 669 2HB LEU 80 HB1 LEU 80 6.176 0.976 2.680 670 HG LEU 80 HG LEU 80 3.623 -0.300 3.694 671 1HD1 LEU 80 HD11 LEU 80 3.135 2.134 4.324 672 2HD1 LEU 80 HD12 LEU 80 4.855 2.434 4.073 673 3HD1 LEU 80 HD13 LEU 80 4.330 1.298 5.315 674 1HD2 LEU 80 HD21 LEU 80 2.703 1.670 2.194 675 2HD2 LEU 80 HD22 LEU 80 3.175 0.151 1.445 676 3HD2 LEU 80 HD23 LEU 80 4.268 1.534 1.393 677 H ASP 81 HN ASP 81 7.230 -0.551 0.138 678 HA ASP 81 HA ASP 81 9.321 -2.454 0.762 679 1HB ASP 81 HB2 ASP 81 8.795 -1.717 -1.557 680 2HB ASP 81 HB1 ASP 81 9.375 -0.102 -1.150 681 HA PRO 82 HA PRO 82 11.400 0.458 3.519 682 1HB PRO 82 HB2 PRO 82 13.617 -0.963 4.128 683 2HB PRO 82 HB1 PRO 82 12.014 -1.456 4.712 684 1HG PRO 82 HG2 PRO 82 13.587 -2.515 2.402 685 2HG PRO 82 HG1 PRO 82 12.664 -3.399 3.630 686 1HD PRO 82 HD2 PRO 82 11.686 -2.842 1.110 687 2HD PRO 82 HD1 PRO 82 10.650 -3.082 2.535 688 H ASP 83 HN ASP 83 14.169 0.822 3.666 689 HA ASP 83 HA ASP 83 14.684 2.247 1.146 690 1HB ASP 83 HB2 ASP 83 16.224 2.019 3.746 691 2HB ASP 83 HB1 ASP 83 16.794 2.949 2.360 692 H SER 84 HN SER 84 14.548 -0.480 0.690 693 HA SER 84 HA SER 84 16.898 -1.998 0.880 694 1HB SER 84 HB2 SER 84 14.757 -2.875 0.009 695 2HB SER 84 HB1 SER 84 14.958 -1.906 -1.448 696 HG SER 84 HG SER 84 16.110 -3.498 -2.168 697 H TYR 85 HN TYR 85 16.127 0.639 -1.305 698 HA TYR 85 HA TYR 85 18.184 0.234 -3.227 699 1HB TYR 85 HB2 TYR 85 17.617 3.069 -2.524 700 2HB TYR 85 HB1 TYR 85 17.493 2.251 -4.079 701 HD1 TYR 85 HD1 TYR 85 15.478 0.828 -4.578 702 HD2 TYR 85 HD2 TYR 85 15.747 3.312 -1.088 703 HE1 TYR 85 HE1 TYR 85 13.020 0.672 -4.283 704 HE2 TYR 85 HE2 TYR 85 13.284 3.163 -0.791 705 HH TYR 85 HH TYR 85 11.452 1.417 -1.504 706 H ASN 86 HN ASN 86 18.223 1.877 -0.080 707 HA ASN 86 HA ASN 86 21.020 2.675 -0.440 708 1HB ASN 86 HB2 ASN 86 19.078 2.977 1.852 709 2HB ASN 86 HB1 ASN 86 20.745 3.547 1.916 710 1HD2 ASN 86 HD21 ASN 86 21.201 4.703 -0.516 711 2HD2 ASN 86 HD22 ASN 86 20.084 5.940 -0.834 712 H MET 87 HN MET 87 19.841 -0.258 0.108 713 HA MET 87 HA MET 87 21.415 -0.991 2.478 714 1HB MET 87 HB2 MET 87 19.810 -2.585 0.472 715 2HB MET 87 HB1 MET 87 20.789 -3.366 1.713 716 1HG MET 87 HG2 MET 87 18.687 -1.275 2.325 717 2HG MET 87 HG1 MET 87 18.373 -3.010 2.361 718 1HE MET 87 HE1 MET 87 18.732 -1.231 5.977 719 2HE MET 87 HE2 MET 87 17.804 -1.085 4.487 720 3HE MET 87 HE3 MET 87 19.239 -0.090 4.724 721 H PHE 88 HN PHE 88 23.378 -2.086 2.479 722 HA PHE 88 HA PHE 88 24.632 -2.848 -0.081 723 1HB PHE 88 HB2 PHE 88 25.813 -0.756 1.775 724 2HB PHE 88 HB1 PHE 88 26.663 -1.493 0.417 725 HD1 PHE 88 HD1 PHE 88 24.722 1.281 1.373 726 HD2 PHE 88 HD2 PHE 88 25.287 -1.477 -1.872 727 HE1 PHE 88 HE1 PHE 88 23.705 2.913 -0.192 728 HE2 PHE 88 HE2 PHE 88 24.269 0.155 -3.437 729 HZ PHE 88 HZ PHE 88 23.478 2.351 -2.597 730 H GLU 89 HN GLU 89 27.253 -2.688 1.586 731 HA GLU 89 HA GLU 89 26.919 -5.367 2.782 732 1HB GLU 89 HB2 GLU 89 29.404 -3.672 2.388 733 2HB GLU 89 HB1 GLU 89 29.376 -5.354 2.910 734 1HG GLU 89 HG2 GLU 89 29.764 -5.536 0.598 735 2HG GLU 89 HG1 GLU 89 28.026 -5.789 0.729 736 H ASN 90 HN ASN 90 26.223 -2.490 3.933 737 HA ASN 90 HA ASN 90 27.294 -3.075 6.677 738 1HB ASN 90 HB2 ASN 90 28.357 -1.060 5.555 739 2HB ASN 90 HB1 ASN 90 26.762 -0.308 5.565 740 1HD2 ASN 90 HD21 ASN 90 26.711 1.158 7.277 741 2HD2 ASN 90 HD22 ASN 90 27.295 0.848 8.840 742 H GLY 91 HN GLY 91 25.747 -3.097 8.269 743 1HA GLY 91 HA2 GLY 91 23.223 -1.677 7.983 744 2HA GLY 91 HA1 GLY 91 23.043 -3.419 7.774 745 H SER 92 HN SER 92 23.870 -0.883 10.055 746 HA SER 92 HA SER 92 24.012 -2.864 12.281 747 1HB SER 92 HB2 SER 92 24.505 0.125 12.368 748 2HB SER 92 HB1 SER 92 24.910 -1.056 13.611 749 HG SER 92 HG SER 92 26.743 -0.661 12.410 750 H PHE 93 HN PHE 93 21.574 -1.630 10.698 751 HA PHE 93 HA PHE 93 20.052 -0.080 12.532 752 1HB PHE 93 HB2 PHE 93 19.370 -0.256 10.223 753 2HB PHE 93 HB1 PHE 93 19.203 -2.004 10.353 754 HD1 PHE 93 HD1 PHE 93 16.994 -2.751 10.458 755 HD2 PHE 93 HD2 PHE 93 18.013 1.008 12.277 756 HE1 PHE 93 HE1 PHE 93 14.639 -2.452 11.165 757 HE2 PHE 93 HE2 PHE 93 15.658 1.301 12.987 758 HZ PHE 93 HZ PHE 93 13.970 -0.427 12.430 759 H LEU 94 HN LEU 94 20.042 -3.617 11.990 760 HA LEU 94 HA LEU 94 19.124 -3.975 14.814 761 1HB LEU 94 HB2 LEU 94 17.965 -5.236 12.317 762 2HB LEU 94 HB1 LEU 94 17.768 -5.969 13.906 763 HG LEU 94 HG LEU 94 16.980 -3.113 13.267 764 1HD1 LEU 94 HD11 LEU 94 14.697 -3.889 13.057 765 2HD1 LEU 94 HD12 LEU 94 15.171 -5.537 13.469 766 3HD1 LEU 94 HD13 LEU 94 15.695 -4.824 11.943 767 1HD2 LEU 94 HD21 LEU 94 16.777 -4.894 15.680 768 2HD2 LEU 94 HD22 LEU 94 15.463 -3.761 15.377 769 3HD2 LEU 94 HD23 LEU 94 17.104 -3.165 15.583 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -24.930 15.094 1.768 2 2H MET 1 HT2 MET 1 -23.942 16.354 1.200 3 3H MET 1 HT3 MET 1 -25.408 16.708 1.982 4 HA MET 1 HA MET 1 -23.598 17.113 3.489 5 1HB MET 1 HB2 MET 1 -24.234 15.385 5.251 6 2HB MET 1 HB1 MET 1 -25.569 16.314 4.571 7 1HG MET 1 HG2 MET 1 -26.076 14.475 3.020 8 2HG MET 1 HG1 MET 1 -24.720 13.549 3.660 9 1HE MET 1 HE1 MET 1 -28.737 14.573 5.425 10 2HE MET 1 HE2 MET 1 -27.752 15.491 4.291 11 3HE MET 1 HE3 MET 1 -27.498 15.681 6.023 12 H LEU 2 HN LEU 2 -22.699 15.251 1.227 13 HA LEU 2 HA LEU 2 -20.607 13.730 2.760 14 1HB LEU 2 HB2 LEU 2 -21.747 13.167 0.005 15 2HB LEU 2 HB1 LEU 2 -20.511 12.213 0.822 16 HG LEU 2 HG LEU 2 -23.288 12.685 1.944 17 1HD1 LEU 2 HD11 LEU 2 -23.243 11.392 -0.234 18 2HD1 LEU 2 HD12 LEU 2 -23.891 10.498 1.140 19 3HD1 LEU 2 HD13 LEU 2 -22.247 10.187 0.583 20 1HD2 LEU 2 HD21 LEU 2 -20.917 10.991 2.745 21 2HD2 LEU 2 HD22 LEU 2 -22.550 10.532 3.224 22 3HD2 LEU 2 HD23 LEU 2 -21.885 12.077 3.741 23 H VAL 3 HN VAL 3 -18.467 14.042 2.131 24 HA VAL 3 HA VAL 3 -17.938 15.810 -0.222 25 HB VAL 3 HB VAL 3 -16.358 17.139 1.084 26 1HG1 VAL 3 HG11 VAL 3 -17.933 18.416 2.344 27 2HG1 VAL 3 HG12 VAL 3 -18.948 17.004 2.639 28 3HG1 VAL 3 HG13 VAL 3 -18.849 17.696 1.019 29 1HG2 VAL 3 HG21 VAL 3 -16.407 16.818 3.618 30 2HG2 VAL 3 HG22 VAL 3 -15.573 15.562 2.703 31 3HG2 VAL 3 HG23 VAL 3 -17.202 15.274 3.313 32 H LYS 4 HN LYS 4 -15.685 15.665 -0.952 33 HA LYS 4 HA LYS 4 -14.636 12.934 -0.677 34 1HB LYS 4 HB2 LYS 4 -13.813 15.326 -2.335 35 2HB LYS 4 HB1 LYS 4 -12.963 13.782 -2.376 36 1HG LYS 4 HG2 LYS 4 -14.768 12.658 -3.357 37 2HG LYS 4 HG1 LYS 4 -15.945 13.848 -2.803 38 1HD LYS 4 HD2 LYS 4 -15.600 14.096 -5.208 39 2HD LYS 4 HD1 LYS 4 -14.958 15.510 -4.372 40 1HE LYS 4 HE2 LYS 4 -12.692 14.633 -4.531 41 2HE LYS 4 HE1 LYS 4 -13.289 13.127 -5.230 42 1HZ LYS 4 HZ1 LYS 4 -13.631 14.084 -7.226 43 2HZ LYS 4 HZ2 LYS 4 -12.444 15.173 -6.685 44 3HZ LYS 4 HZ3 LYS 4 -14.090 15.580 -6.570 45 HA PRO 5 HA PRO 5 -11.993 14.411 2.750 46 1HB PRO 5 HB2 PRO 5 -10.449 11.953 1.986 47 2HB PRO 5 HB1 PRO 5 -10.958 12.508 3.596 48 1HG PRO 5 HG2 PRO 5 -12.228 10.524 2.359 49 2HG PRO 5 HG1 PRO 5 -13.107 11.714 3.334 50 1HD PRO 5 HD2 PRO 5 -12.978 11.450 0.355 51 2HD PRO 5 HD1 PRO 5 -14.301 12.045 1.385 52 HA PRO 6 HA PRO 6 -8.778 16.307 0.282 53 1HB PRO 6 HB2 PRO 6 -7.106 17.247 2.196 54 2HB PRO 6 HB1 PRO 6 -8.741 17.903 1.976 55 1HG PRO 6 HG2 PRO 6 -7.772 15.892 3.967 56 2HG PRO 6 HG1 PRO 6 -8.825 17.297 4.216 57 1HD PRO 6 HD2 PRO 6 -9.804 14.750 3.935 58 2HD PRO 6 HD1 PRO 6 -10.710 16.195 3.428 59 H TYR 7 HN TYR 7 -8.179 13.474 2.059 60 HA TYR 7 HA TYR 7 -5.316 13.301 1.764 61 1HB TYR 7 HB2 TYR 7 -7.313 11.029 1.945 62 2HB TYR 7 HB1 TYR 7 -5.592 10.951 2.318 63 HD1 TYR 7 HD1 TYR 7 -4.711 12.581 4.158 64 HD2 TYR 7 HD2 TYR 7 -8.846 11.554 3.637 65 HE1 TYR 7 HE1 TYR 7 -5.184 13.299 6.485 66 HE2 TYR 7 HE2 TYR 7 -9.326 12.278 5.955 67 HH TYR 7 HH TYR 7 -8.493 13.377 7.747 68 H SER 8 HN SER 8 -4.108 12.393 0.107 69 HA SER 8 HA SER 8 -5.284 12.347 -2.539 70 1HB SER 8 HB2 SER 8 -2.585 11.320 -1.601 71 2HB SER 8 HB1 SER 8 -3.048 11.622 -3.273 72 HG SER 8 HG SER 8 -3.118 13.772 -2.868 73 H TYR 9 HN TYR 9 -5.262 10.376 -3.953 74 HA TYR 9 HA TYR 9 -6.613 8.184 -2.728 75 1HB TYR 9 HB2 TYR 9 -5.196 8.502 -5.381 76 2HB TYR 9 HB1 TYR 9 -5.939 6.971 -4.919 77 HD1 TYR 9 HD1 TYR 9 -8.393 6.823 -4.541 78 HD2 TYR 9 HD2 TYR 9 -6.532 10.430 -5.947 79 HE1 TYR 9 HE1 TYR 9 -10.605 7.688 -5.242 80 HE2 TYR 9 HE2 TYR 9 -8.749 11.297 -6.646 81 HH TYR 9 HH TYR 9 -11.485 9.341 -6.895 82 H ILE 10 HN ILE 10 -3.194 8.664 -3.570 83 HA ILE 10 HA ILE 10 -2.368 6.016 -2.758 84 HB ILE 10 HB ILE 10 -0.799 8.598 -3.039 85 1HG1 ILE 10 HG12 ILE 10 -0.917 6.156 -4.834 86 2HG1 ILE 10 HG11 ILE 10 -1.899 7.598 -5.090 87 1HG2 ILE 10 HG21 ILE 10 1.172 7.017 -3.138 88 2HG2 ILE 10 HG22 ILE 10 0.097 5.740 -2.571 89 3HG2 ILE 10 HG23 ILE 10 0.421 7.140 -1.547 90 1HD1 ILE 10 HD11 ILE 10 0.100 7.749 -6.469 91 2HD1 ILE 10 HD12 ILE 10 1.128 7.462 -5.065 92 3HD1 ILE 10 HD13 ILE 10 0.198 8.956 -5.185 93 H ALA 11 HN ALA 11 -2.573 9.157 -1.127 94 HA ALA 11 HA ALA 11 -1.282 8.435 1.303 95 1HB ALA 11 HB1 ALA 11 -3.621 10.342 0.943 96 2HB ALA 11 HB2 ALA 11 -1.932 10.765 0.662 97 3HB ALA 11 HB3 ALA 11 -2.476 10.336 2.284 98 H LEU 12 HN LEU 12 -4.714 8.118 0.344 99 HA LEU 12 HA LEU 12 -5.675 7.182 2.860 100 1HB LEU 12 HB2 LEU 12 -6.581 6.529 0.041 101 2HB LEU 12 HB1 LEU 12 -7.481 6.086 1.487 102 HG LEU 12 HG LEU 12 -6.685 8.938 0.843 103 1HD1 LEU 12 HD11 LEU 12 -9.025 9.218 0.064 104 2HD1 LEU 12 HD12 LEU 12 -9.284 7.484 0.260 105 3HD1 LEU 12 HD13 LEU 12 -8.134 8.074 -0.940 106 1HD2 LEU 12 HD21 LEU 12 -8.466 7.608 2.891 107 2HD2 LEU 12 HD22 LEU 12 -8.781 9.266 2.391 108 3HD2 LEU 12 HD23 LEU 12 -7.240 8.851 3.131 109 H ILE 13 HN ILE 13 -4.213 5.481 0.117 110 HA ILE 13 HA ILE 13 -4.557 2.830 1.196 111 HB ILE 13 HB ILE 13 -2.477 3.891 -0.742 112 1HG1 ILE 13 HG12 ILE 13 -5.104 2.487 -1.324 113 2HG1 ILE 13 HG11 ILE 13 -4.916 4.239 -1.362 114 1HG2 ILE 13 HG21 ILE 13 -2.502 1.465 -1.504 115 2HG2 ILE 13 HG22 ILE 13 -3.427 1.100 -0.048 116 3HG2 ILE 13 HG23 ILE 13 -1.788 1.737 0.086 117 1HD1 ILE 13 HD11 ILE 13 -3.726 2.172 -3.195 118 2HD1 ILE 13 HD12 ILE 13 -2.917 3.726 -2.994 119 3HD1 ILE 13 HD13 ILE 13 -4.568 3.665 -3.604 120 H THR 14 HN THR 14 -1.955 5.238 1.354 121 HA THR 14 HA THR 14 -0.052 3.594 2.712 122 HB THR 14 HB THR 14 -0.382 6.600 2.781 123 HG1 THR 14 HG1 THR 14 0.593 6.575 0.921 124 1HG2 THR 14 HG21 THR 14 1.852 4.741 3.603 125 2HG2 THR 14 HG22 THR 14 1.065 5.989 4.570 126 3HG2 THR 14 HG23 THR 14 2.129 6.445 3.240 127 H MET 15 HN MET 15 -2.590 5.767 3.922 128 HA MET 15 HA MET 15 -1.833 5.501 6.696 129 1HB MET 15 HB2 MET 15 -4.417 6.344 5.364 130 2HB MET 15 HB1 MET 15 -4.177 6.373 7.110 131 1HG MET 15 HG2 MET 15 -2.141 7.822 6.716 132 2HG MET 15 HG1 MET 15 -2.624 7.927 5.024 133 1HE MET 15 HE1 MET 15 -5.773 9.891 4.878 134 2HE MET 15 HE2 MET 15 -5.867 8.148 5.105 135 3HE MET 15 HE3 MET 15 -4.582 8.832 4.112 136 H ALA 16 HN ALA 16 -4.088 3.773 4.590 137 HA ALA 16 HA ALA 16 -5.407 2.233 6.576 138 1HB ALA 16 HB1 ALA 16 -5.868 0.646 4.712 139 2HB ALA 16 HB2 ALA 16 -4.702 1.519 3.715 140 3HB ALA 16 HB3 ALA 16 -6.175 2.323 4.256 141 H ILE 17 HN ILE 17 -2.446 1.499 4.712 142 HA ILE 17 HA ILE 17 -1.951 -1.082 5.818 143 HB ILE 17 HB ILE 17 0.053 1.030 4.934 144 1HG1 ILE 17 HG12 ILE 17 -1.096 -1.276 3.346 145 2HG1 ILE 17 HG11 ILE 17 -1.767 0.355 3.293 146 1HG2 ILE 17 HG21 ILE 17 1.471 -1.000 4.458 147 2HG2 ILE 17 HG22 ILE 17 0.260 -1.976 5.289 148 3HG2 ILE 17 HG23 ILE 17 1.159 -0.746 6.176 149 1HD1 ILE 17 HD11 ILE 17 1.155 -0.208 2.757 150 2HD1 ILE 17 HD12 ILE 17 0.254 1.267 2.407 151 3HD1 ILE 17 HD13 ILE 17 -0.056 -0.198 1.474 152 H GLN 18 HN GLN 18 -0.762 2.111 6.761 153 HA GLN 18 HA GLN 18 0.664 1.241 9.097 154 1HB GLN 18 HB2 GLN 18 -0.422 3.933 8.242 155 2HB GLN 18 HB1 GLN 18 0.564 3.705 9.688 156 1HG GLN 18 HG2 GLN 18 2.419 2.885 8.388 157 2HG GLN 18 HG1 GLN 18 1.433 2.812 6.928 158 1HE2 GLN 18 HE21 GLN 18 3.924 4.428 7.419 159 2HE2 GLN 18 HE22 GLN 18 3.477 6.041 7.137 160 H ASN 19 HN ASN 19 -2.635 2.495 8.639 161 HA ASN 19 HA ASN 19 -3.250 2.678 11.440 162 1HB ASN 19 HB2 ASN 19 -5.034 2.361 9.010 163 2HB ASN 19 HB1 ASN 19 -5.636 2.674 10.639 164 1HD2 ASN 19 HD21 ASN 19 -2.633 4.179 10.330 165 2HD2 ASN 19 HD22 ASN 19 -3.165 5.735 9.909 166 H ALA 20 HN ALA 20 -3.017 0.006 9.277 167 HA ALA 20 HA ALA 20 -4.787 -1.765 10.769 168 1HB ALA 20 HB1 ALA 20 -3.946 -3.494 9.265 169 2HB ALA 20 HB2 ALA 20 -2.589 -2.472 8.797 170 3HB ALA 20 HB3 ALA 20 -4.230 -2.031 8.325 171 HA PRO 21 HA PRO 21 -1.905 -2.928 13.970 172 1HB PRO 21 HB2 PRO 21 -2.439 -5.661 14.175 173 2HB PRO 21 HB1 PRO 21 -3.409 -4.389 14.939 174 1HG PRO 21 HG2 PRO 21 -3.902 -5.870 12.397 175 2HG PRO 21 HG1 PRO 21 -5.051 -5.367 13.649 176 1HD PRO 21 HD2 PRO 21 -4.832 -4.015 11.326 177 2HD PRO 21 HD1 PRO 21 -5.163 -3.169 12.854 178 H GLU 22 HN GLU 22 -2.149 -5.376 11.389 179 HA GLU 22 HA GLU 22 0.829 -5.652 11.381 180 1HB GLU 22 HB2 GLU 22 -1.358 -7.328 10.096 181 2HB GLU 22 HB1 GLU 22 0.370 -7.643 9.941 182 1HG GLU 22 HG2 GLU 22 -1.112 -7.529 12.583 183 2HG GLU 22 HG1 GLU 22 -0.725 -9.020 11.723 184 H LYS 23 HN LYS 23 1.954 -4.866 9.584 185 HA LYS 23 HA LYS 23 0.600 -3.030 7.858 186 1HB LYS 23 HB2 LYS 23 3.339 -4.304 7.626 187 2HB LYS 23 HB1 LYS 23 2.758 -3.025 6.556 188 1HG LYS 23 HG2 LYS 23 2.385 -1.560 8.512 189 2HG LYS 23 HG1 LYS 23 2.980 -2.834 9.576 190 1HD LYS 23 HD2 LYS 23 5.168 -2.772 8.426 191 2HD LYS 23 HD1 LYS 23 4.566 -1.491 7.371 192 1HE LYS 23 HE2 LYS 23 5.849 -0.496 9.202 193 2HE LYS 23 HE1 LYS 23 4.145 -0.075 9.378 194 1HZ LYS 23 HZ1 LYS 23 5.364 -2.412 10.728 195 2HZ LYS 23 HZ2 LYS 23 3.860 -1.687 11.046 196 3HZ LYS 23 HZ3 LYS 23 5.299 -0.876 11.445 197 H LYS 24 HN LYS 24 0.979 -6.455 7.702 198 HA LYS 24 HA LYS 24 0.583 -6.629 4.804 199 1HB LYS 24 HB2 LYS 24 0.417 -8.683 7.025 200 2HB LYS 24 HB1 LYS 24 0.148 -9.074 5.330 201 1HG LYS 24 HG2 LYS 24 2.421 -8.209 4.800 202 2HG LYS 24 HG1 LYS 24 2.683 -7.906 6.518 203 1HD LYS 24 HD2 LYS 24 2.229 -10.337 6.954 204 2HD LYS 24 HD1 LYS 24 2.163 -10.592 5.210 205 1HE LYS 24 HE2 LYS 24 4.540 -9.550 6.782 206 2HE LYS 24 HE1 LYS 24 4.402 -11.135 6.023 207 1HZ LYS 24 HZ1 LYS 24 5.335 -10.166 4.270 208 2HZ LYS 24 HZ2 LYS 24 5.050 -8.597 4.855 209 3HZ LYS 24 HZ3 LYS 24 3.833 -9.424 4.004 210 H ILE 25 HN ILE 25 -1.375 -6.449 3.816 211 HA ILE 25 HA ILE 25 -3.832 -7.276 5.237 212 HB ILE 25 HB ILE 25 -3.579 -4.916 5.877 213 1HG1 ILE 25 HG12 ILE 25 -5.691 -5.049 3.717 214 2HG1 ILE 25 HG11 ILE 25 -5.841 -5.976 5.210 215 1HG2 ILE 25 HG21 ILE 25 -2.207 -4.391 3.763 216 2HG2 ILE 25 HG22 ILE 25 -3.354 -3.162 4.294 217 3HG2 ILE 25 HG23 ILE 25 -3.759 -4.220 2.942 218 1HD1 ILE 25 HD11 ILE 25 -5.656 -3.907 6.529 219 2HD1 ILE 25 HD12 ILE 25 -6.996 -3.796 5.388 220 3HD1 ILE 25 HD13 ILE 25 -5.477 -2.969 5.046 221 H THR 26 HN THR 26 -5.600 -7.642 3.769 222 HA THR 26 HA THR 26 -4.714 -8.323 1.066 223 HB THR 26 HB THR 26 -6.978 -9.223 0.791 224 HG1 THR 26 HG1 THR 26 -7.791 -8.666 3.335 225 1HG2 THR 26 HG21 THR 26 -5.899 -9.805 3.564 226 2HG2 THR 26 HG22 THR 26 -5.307 -10.542 2.074 227 3HG2 THR 26 HG23 THR 26 -6.957 -10.851 2.617 228 H LEU 27 HN LEU 27 -5.832 -7.527 -0.870 229 HA LEU 27 HA LEU 27 -5.992 -4.689 -1.007 230 1HB LEU 27 HB2 LEU 27 -5.544 -6.179 -2.936 231 2HB LEU 27 HB1 LEU 27 -7.187 -6.796 -2.840 232 HG LEU 27 HG LEU 27 -8.067 -4.531 -3.362 233 1HD1 LEU 27 HD11 LEU 27 -5.127 -3.851 -3.267 234 2HD1 LEU 27 HD12 LEU 27 -6.480 -3.009 -2.509 235 3HD1 LEU 27 HD13 LEU 27 -6.241 -2.901 -4.250 236 1HD2 LEU 27 HD21 LEU 27 -6.050 -5.837 -5.189 237 2HD2 LEU 27 HD22 LEU 27 -6.922 -4.398 -5.699 238 3HD2 LEU 27 HD23 LEU 27 -7.811 -5.859 -5.283 239 H ASN 28 HN ASN 28 -8.474 -7.197 -0.747 240 HA ASN 28 HA ASN 28 -10.753 -5.494 -0.825 241 1HB ASN 28 HB2 ASN 28 -10.321 -8.195 0.453 242 2HB ASN 28 HB1 ASN 28 -11.891 -7.394 0.395 243 1HD2 ASN 28 HD21 ASN 28 -11.869 -6.273 -2.177 244 2HD2 ASN 28 HD22 ASN 28 -11.779 -7.509 -3.337 245 H GLY 29 HN GLY 29 -8.747 -6.591 1.893 246 1HA GLY 29 HA2 GLY 29 -10.365 -5.567 3.990 247 2HA GLY 29 HA1 GLY 29 -8.617 -5.781 4.093 248 H ILE 30 HN ILE 30 -7.942 -3.980 1.947 249 HA ILE 30 HA ILE 30 -7.786 -1.537 3.387 250 HB ILE 30 HB ILE 30 -7.444 -2.124 0.436 251 1HG1 ILE 30 HG12 ILE 30 -5.407 -1.517 2.600 252 2HG1 ILE 30 HG11 ILE 30 -5.874 -3.154 2.140 253 1HG2 ILE 30 HG21 ILE 30 -7.931 0.206 0.528 254 2HG2 ILE 30 HG22 ILE 30 -6.171 0.111 0.519 255 3HG2 ILE 30 HG23 ILE 30 -7.030 0.414 2.029 256 1HD1 ILE 30 HD11 ILE 30 -4.647 -1.065 0.316 257 2HD1 ILE 30 HD12 ILE 30 -5.188 -2.660 -0.202 258 3HD1 ILE 30 HD13 ILE 30 -3.847 -2.511 0.932 259 H TYR 31 HN TYR 31 -10.098 -2.582 0.862 260 HA TYR 31 HA TYR 31 -11.385 -0.028 0.639 261 1HB TYR 31 HB2 TYR 31 -12.508 -2.805 0.191 262 2HB TYR 31 HB1 TYR 31 -13.366 -1.329 -0.208 263 HD1 TYR 31 HD1 TYR 31 -11.871 -3.841 -1.780 264 HD2 TYR 31 HD2 TYR 31 -11.375 0.417 -1.466 265 HE1 TYR 31 HE1 TYR 31 -10.724 -3.810 -3.968 266 HE2 TYR 31 HE2 TYR 31 -10.244 0.440 -3.649 267 HH TYR 31 HH TYR 31 -9.000 -1.123 -5.090 268 H GLN 32 HN GLN 32 -12.001 -2.769 2.815 269 HA GLN 32 HA GLN 32 -14.425 -1.780 3.925 270 1HB GLN 32 HB2 GLN 32 -13.540 -4.059 4.342 271 2HB GLN 32 HB1 GLN 32 -12.227 -3.369 5.292 272 1HG GLN 32 HG2 GLN 32 -13.979 -4.144 6.794 273 2HG GLN 32 HG1 GLN 32 -13.926 -2.384 6.845 274 1HE2 GLN 32 HE21 GLN 32 -15.913 -1.366 6.541 275 2HE2 GLN 32 HE22 GLN 32 -17.266 -2.075 5.800 276 H PHE 33 HN PHE 33 -11.039 -1.142 4.774 277 HA PHE 33 HA PHE 33 -11.534 0.431 7.096 278 1HB PHE 33 HB2 PHE 33 -9.307 -0.442 6.473 279 2HB PHE 33 HB1 PHE 33 -9.267 0.662 5.098 280 HD1 PHE 33 HD1 PHE 33 -9.108 0.385 8.764 281 HD2 PHE 33 HD2 PHE 33 -8.996 3.072 5.414 282 HE1 PHE 33 HE1 PHE 33 -8.231 2.179 10.233 283 HE2 PHE 33 HE2 PHE 33 -8.121 4.867 6.885 284 HZ PHE 33 HZ PHE 33 -7.739 4.421 9.294 285 H ILE 34 HN ILE 34 -11.026 1.490 3.706 286 HA ILE 34 HA ILE 34 -11.298 4.265 4.204 287 HB ILE 34 HB ILE 34 -11.841 2.613 1.733 288 1HG1 ILE 34 HG12 ILE 34 -9.583 4.533 2.341 289 2HG1 ILE 34 HG11 ILE 34 -9.505 2.825 2.771 290 1HG2 ILE 34 HG21 ILE 34 -11.509 4.967 0.621 291 2HG2 ILE 34 HG22 ILE 34 -12.024 5.589 2.188 292 3HG2 ILE 34 HG23 ILE 34 -13.097 4.544 1.258 293 1HD1 ILE 34 HD11 ILE 34 -9.967 2.258 0.372 294 2HD1 ILE 34 HD12 ILE 34 -8.447 3.122 0.606 295 3HD1 ILE 34 HD13 ILE 34 -9.861 3.977 -0.009 296 H MET 35 HN MET 35 -13.876 1.996 3.094 297 HA MET 35 HA MET 35 -15.903 3.987 2.995 298 1HB MET 35 HB2 MET 35 -15.999 0.999 3.383 299 2HB MET 35 HB1 MET 35 -17.474 1.964 3.402 300 1HG MET 35 HG2 MET 35 -16.866 2.884 1.168 301 2HG MET 35 HG1 MET 35 -15.453 1.828 1.145 302 1HE MET 35 HE1 MET 35 -15.808 -0.817 1.868 303 2HE MET 35 HE2 MET 35 -15.390 -0.344 0.224 304 3HE MET 35 HE3 MET 35 -16.595 -1.601 0.490 305 H ASP 36 HN ASP 36 -14.840 1.934 5.705 306 HA ASP 36 HA ASP 36 -16.920 2.730 7.498 307 1HB ASP 36 HB2 ASP 36 -14.125 1.695 7.992 308 2HB ASP 36 HB1 ASP 36 -15.292 1.976 9.284 309 H ARG 37 HN ARG 37 -13.574 4.021 7.156 310 HA ARG 37 HA ARG 37 -13.988 6.021 9.199 311 1HB ARG 37 HB2 ARG 37 -12.000 5.999 6.909 312 2HB ARG 37 HB1 ARG 37 -11.923 7.052 8.317 313 1HG ARG 37 HG2 ARG 37 -11.948 4.038 8.558 314 2HG ARG 37 HG1 ARG 37 -10.455 4.953 8.376 315 1HD ARG 37 HD2 ARG 37 -11.160 6.314 10.400 316 2HD ARG 37 HD1 ARG 37 -12.464 5.152 10.635 317 HE ARG 37 HE ARG 37 -10.191 3.577 10.447 318 1HH1 ARG 37 HH21 ARG 37 -11.262 6.262 12.326 319 2HH1 ARG 37 HH22 ARG 37 -10.313 5.841 13.712 320 1HH2 ARG 37 HH11 ARG 37 -8.940 3.015 12.246 321 2HH2 ARG 37 HH12 ARG 37 -8.998 4.003 13.667 322 H PHE 38 HN PHE 38 -14.182 6.111 5.649 323 HA PHE 38 HA PHE 38 -15.532 8.780 5.865 324 1HB PHE 38 HB2 PHE 38 -14.079 7.653 3.460 325 2HB PHE 38 HB1 PHE 38 -14.689 9.294 3.668 326 HD1 PHE 38 HD1 PHE 38 -11.926 7.048 4.236 327 HD2 PHE 38 HD2 PHE 38 -13.717 10.724 5.552 328 HE1 PHE 38 HE1 PHE 38 -9.787 7.708 5.303 329 HE2 PHE 38 HE2 PHE 38 -11.577 11.384 6.619 330 HZ PHE 38 HZ PHE 38 -9.612 9.876 6.495 331 HA PRO 39 HA PRO 39 -18.810 6.014 4.290 332 1HB PRO 39 HB2 PRO 39 -20.957 7.550 4.864 333 2HB PRO 39 HB1 PRO 39 -20.051 6.706 6.136 334 1HG PRO 39 HG2 PRO 39 -19.909 9.571 5.304 335 2HG PRO 39 HG1 PRO 39 -19.929 8.876 6.934 336 1HD PRO 39 HD2 PRO 39 -17.624 9.686 5.649 337 2HD PRO 39 HD1 PRO 39 -17.654 8.438 6.915 338 H PHE 40 HN PHE 40 -17.766 8.988 3.116 339 HA PHE 40 HA PHE 40 -19.739 9.651 1.178 340 1HB PHE 40 HB2 PHE 40 -18.156 11.329 1.404 341 2HB PHE 40 HB1 PHE 40 -16.824 10.192 1.568 342 HD1 PHE 40 HD1 PHE 40 -19.378 11.223 -0.998 343 HD2 PHE 40 HD2 PHE 40 -15.319 10.041 -0.212 344 HE1 PHE 40 HE1 PHE 40 -18.825 11.521 -3.397 345 HE2 PHE 40 HE2 PHE 40 -14.771 10.341 -2.610 346 HZ PHE 40 HZ PHE 40 -16.521 11.080 -4.203 347 H TYR 41 HN TYR 41 -17.037 7.348 1.063 348 HA TYR 41 HA TYR 41 -17.344 6.749 -1.735 349 1HB TYR 41 HB2 TYR 41 -16.059 5.189 0.515 350 2HB TYR 41 HB1 TYR 41 -15.951 4.741 -1.191 351 HD1 TYR 41 HD1 TYR 41 -14.806 6.216 -2.807 352 HD2 TYR 41 HD2 TYR 41 -14.888 7.106 1.380 353 HE1 TYR 41 HE1 TYR 41 -12.989 7.868 -3.134 354 HE2 TYR 41 HE2 TYR 41 -13.076 8.765 1.070 355 HH TYR 41 HH TYR 41 -11.619 9.308 -2.149 356 H ARG 42 HN ARG 42 -19.045 5.666 1.110 357 HA ARG 42 HA ARG 42 -20.000 3.163 0.150 358 1HB ARG 42 HB2 ARG 42 -21.302 5.217 1.961 359 2HB ARG 42 HB1 ARG 42 -21.984 3.623 1.656 360 1HG ARG 42 HG2 ARG 42 -19.956 2.561 2.543 361 2HG ARG 42 HG1 ARG 42 -19.233 4.147 2.817 362 1HD ARG 42 HD2 ARG 42 -20.243 3.224 4.894 363 2HD ARG 42 HD1 ARG 42 -21.023 4.722 4.392 364 HE ARG 42 HE ARG 42 -22.542 2.715 3.200 365 1HH1 ARG 42 HH21 ARG 42 -21.456 3.520 6.372 366 2HH1 ARG 42 HH22 ARG 42 -22.830 2.825 7.164 367 1HH2 ARG 42 HH11 ARG 42 -24.347 1.805 4.216 368 2HH2 ARG 42 HH12 ARG 42 -24.468 1.854 5.944 369 H GLU 43 HN GLU 43 -21.221 6.474 -0.334 370 HA GLU 43 HA GLU 43 -23.608 5.753 -1.700 371 1HB GLU 43 HB2 GLU 43 -23.171 8.033 -0.833 372 2HB GLU 43 HB1 GLU 43 -21.926 8.245 -2.061 373 1HG GLU 43 HG2 GLU 43 -24.026 9.289 -2.790 374 2HG GLU 43 HG1 GLU 43 -23.638 7.925 -3.834 375 H ASN 44 HN ASN 44 -20.370 6.367 -2.874 376 HA ASN 44 HA ASN 44 -21.191 5.367 -5.589 377 1HB ASN 44 HB2 ASN 44 -20.290 7.741 -5.425 378 2HB ASN 44 HB1 ASN 44 -18.750 7.033 -4.932 379 1HD2 ASN 44 HD21 ASN 44 -17.422 7.196 -6.758 380 2HD2 ASN 44 HD22 ASN 44 -17.859 6.679 -8.315 381 H LYS 45 HN LYS 45 -20.767 3.162 -5.320 382 HA LYS 45 HA LYS 45 -18.233 2.301 -4.101 383 1HB LYS 45 HB2 LYS 45 -20.437 0.731 -5.468 384 2HB LYS 45 HB1 LYS 45 -19.057 0.022 -4.631 385 1HG LYS 45 HG2 LYS 45 -19.759 1.117 -2.533 386 2HG LYS 45 HG1 LYS 45 -21.142 1.825 -3.369 387 1HD LYS 45 HD2 LYS 45 -21.987 -0.429 -3.897 388 2HD LYS 45 HD1 LYS 45 -20.607 -1.145 -3.065 389 1HE LYS 45 HE2 LYS 45 -22.383 -1.169 -1.476 390 2HE LYS 45 HE1 LYS 45 -21.354 0.184 -1.005 391 1HZ LYS 45 HZ1 LYS 45 -22.981 1.408 -2.688 392 2HZ LYS 45 HZ2 LYS 45 -23.319 1.261 -1.029 393 3HZ LYS 45 HZ3 LYS 45 -24.033 0.194 -2.143 394 H GLN 46 HN GLN 46 -19.629 2.679 -7.302 395 HA GLN 46 HA GLN 46 -17.331 1.345 -8.589 396 1HB GLN 46 HB2 GLN 46 -19.776 2.715 -9.736 397 2HB GLN 46 HB1 GLN 46 -18.560 1.857 -10.686 398 1HG GLN 46 HG2 GLN 46 -20.092 0.583 -8.408 399 2HG GLN 46 HG1 GLN 46 -20.597 0.472 -10.095 400 1HE2 GLN 46 HE21 GLN 46 -19.356 -1.557 -8.037 401 2HE2 GLN 46 HE22 GLN 46 -18.119 -2.295 -8.934 402 H GLY 47 HN GLY 47 -15.794 2.396 -9.843 403 1HA GLY 47 HA2 GLY 47 -14.965 4.352 -11.045 404 2HA GLY 47 HA1 GLY 47 -15.870 5.383 -9.943 405 H TRP 48 HN TRP 48 -15.133 4.938 -7.498 406 HA TRP 48 HA TRP 48 -12.347 5.689 -7.446 407 1HB TRP 48 HB2 TRP 48 -12.614 6.009 -5.110 408 2HB TRP 48 HB1 TRP 48 -14.128 6.503 -5.855 409 HD1 TRP 48 HD1 TRP 48 -16.236 4.786 -5.594 410 HE1 TRP 48 HE1 TRP 48 -16.761 3.118 -3.716 411 HE3 TRP 48 HE3 TRP 48 -11.614 4.350 -3.448 412 HZ2 TRP 48 HZ2 TRP 48 -15.434 1.771 -1.583 413 HZ3 TRP 48 HZ3 TRP 48 -11.281 2.862 -1.496 414 HH2 TRP 48 HH2 TRP 48 -13.182 1.572 -0.562 415 H GLN 49 HN GLN 49 -14.028 2.653 -6.702 416 HA GLN 49 HA GLN 49 -11.873 1.390 -5.351 417 1HB GLN 49 HB2 GLN 49 -14.075 0.236 -7.075 418 2HB GLN 49 HB1 GLN 49 -12.940 -0.759 -6.161 419 1HG GLN 49 HG2 GLN 49 -13.624 0.387 -4.077 420 2HG GLN 49 HG1 GLN 49 -14.781 1.350 -4.997 421 1HE2 GLN 49 HE21 GLN 49 -14.828 -1.541 -6.571 422 2HE2 GLN 49 HE22 GLN 49 -16.067 -2.325 -5.716 423 H ASN 50 HN ASN 50 -12.566 1.570 -8.851 424 HA ASN 50 HA ASN 50 -10.466 -0.202 -9.651 425 1HB ASN 50 HB2 ASN 50 -11.810 2.097 -11.089 426 2HB ASN 50 HB1 ASN 50 -10.636 1.032 -11.860 427 1HD2 ASN 50 HD21 ASN 50 -12.009 -1.071 -9.801 428 2HD2 ASN 50 HD22 ASN 50 -13.319 -1.616 -10.731 429 H SER 51 HN SER 51 -10.490 3.318 -9.126 430 HA SER 51 HA SER 51 -7.894 3.857 -10.145 431 1HB SER 51 HB2 SER 51 -9.517 5.207 -7.981 432 2HB SER 51 HB1 SER 51 -7.989 5.849 -8.578 433 HG SER 51 HG SER 51 -10.275 6.328 -9.594 434 H ILE 52 HN ILE 52 -8.897 2.851 -6.885 435 HA ILE 52 HA ILE 52 -6.381 3.170 -5.601 436 HB ILE 52 HB ILE 52 -8.554 1.129 -5.086 437 1HG1 ILE 52 HG12 ILE 52 -9.337 3.484 -5.010 438 2HG1 ILE 52 HG11 ILE 52 -9.400 2.715 -3.431 439 1HG2 ILE 52 HG21 ILE 52 -6.245 2.067 -3.374 440 2HG2 ILE 52 HG22 ILE 52 -6.549 0.431 -3.956 441 3HG2 ILE 52 HG23 ILE 52 -7.616 1.152 -2.752 442 1HD1 ILE 52 HD11 ILE 52 -7.105 3.795 -2.982 443 2HD1 ILE 52 HD12 ILE 52 -8.488 4.879 -3.053 444 3HD1 ILE 52 HD13 ILE 52 -7.401 4.757 -4.428 445 H ARG 53 HN ARG 53 -7.716 0.270 -7.212 446 HA ARG 53 HA ARG 53 -5.368 -1.332 -6.708 447 1HB ARG 53 HB2 ARG 53 -7.309 -1.726 -9.002 448 2HB ARG 53 HB1 ARG 53 -6.386 -2.947 -8.121 449 1HG ARG 53 HG2 ARG 53 -7.657 -2.255 -6.039 450 2HG ARG 53 HG1 ARG 53 -8.661 -1.261 -7.085 451 1HD ARG 53 HD2 ARG 53 -9.521 -3.625 -6.479 452 2HD ARG 53 HD1 ARG 53 -9.620 -3.112 -8.162 453 HE ARG 53 HE ARG 53 -7.181 -4.436 -7.991 454 1HH1 ARG 53 HH21 ARG 53 -10.476 -5.098 -7.217 455 2HH1 ARG 53 HH22 ARG 53 -10.331 -6.804 -7.480 456 1HH2 ARG 53 HH11 ARG 53 -6.974 -6.655 -8.334 457 2HH2 ARG 53 HH12 ARG 53 -8.348 -7.685 -8.111 458 H HIS 54 HN HIS 54 -6.404 0.712 -9.416 459 HA HIS 54 HA HIS 54 -4.410 -0.048 -11.290 460 1HB HIS 54 HB2 HIS 54 -6.361 1.351 -11.862 461 2HB HIS 54 HB1 HIS 54 -5.707 2.663 -10.883 462 HD1 HIS 54 HD1 HIS 54 -4.251 0.426 -13.625 463 HD2 HIS 54 HD2 HIS 54 -4.443 4.450 -12.551 464 HE1 HIS 54 HE1 HIS 54 -2.976 1.703 -15.402 465 H ASN 55 HN ASN 55 -4.349 2.424 -8.726 466 HA ASN 55 HA ASN 55 -1.750 3.458 -9.359 467 1HB ASN 55 HB2 ASN 55 -3.313 3.378 -6.767 468 2HB ASN 55 HB1 ASN 55 -1.772 4.218 -6.943 469 1HD2 ASN 55 HD21 ASN 55 -3.039 4.539 -9.946 470 2HD2 ASN 55 HD22 ASN 55 -3.907 5.984 -9.758 471 H LEU 56 HN LEU 56 -2.817 0.797 -7.250 472 HA LEU 56 HA LEU 56 -0.302 0.251 -6.066 473 1HB LEU 56 HB2 LEU 56 -2.607 -1.587 -6.720 474 2HB LEU 56 HB1 LEU 56 -1.199 -2.101 -5.795 475 HG LEU 56 HG LEU 56 -2.994 0.226 -5.041 476 1HD1 LEU 56 HD11 LEU 56 -4.053 -2.080 -4.946 477 2HD1 LEU 56 HD12 LEU 56 -3.991 -1.227 -3.405 478 3HD1 LEU 56 HD13 LEU 56 -2.831 -2.510 -3.751 479 1HD2 LEU 56 HD21 LEU 56 -1.749 -0.386 -2.754 480 2HD2 LEU 56 HD22 LEU 56 -1.003 0.692 -3.924 481 3HD2 LEU 56 HD23 LEU 56 -0.516 -1.001 -3.853 482 H SER 57 HN SER 57 -1.676 -0.932 -9.132 483 HA SER 57 HA SER 57 0.504 -2.731 -9.682 484 1HB SER 57 HB2 SER 57 -0.397 -2.826 -11.945 485 2HB SER 57 HB1 SER 57 -1.725 -2.863 -10.788 486 HG SER 57 HG SER 57 -2.422 -1.107 -11.687 487 H LEU 58 HN LEU 58 -0.148 0.625 -10.744 488 HA LEU 58 HA LEU 58 2.251 0.778 -12.337 489 1HB LEU 58 HB2 LEU 58 0.465 2.909 -11.153 490 2HB LEU 58 HB1 LEU 58 1.837 3.273 -12.196 491 HG LEU 58 HG LEU 58 -0.404 1.395 -12.991 492 1HD1 LEU 58 HD11 LEU 58 -1.098 3.390 -14.447 493 2HD1 LEU 58 HD12 LEU 58 -0.069 4.372 -13.405 494 3HD1 LEU 58 HD13 LEU 58 -1.454 3.518 -12.723 495 1HD2 LEU 58 HD21 LEU 58 1.386 0.938 -14.437 496 2HD2 LEU 58 HD22 LEU 58 1.981 2.598 -14.394 497 3HD2 LEU 58 HD23 LEU 58 0.538 2.199 -15.322 498 H ASN 59 HN ASN 59 1.502 1.704 -8.978 499 HA ASN 59 HA ASN 59 4.141 2.849 -8.545 500 1HB ASN 59 HB2 ASN 59 2.010 1.920 -6.597 501 2HB ASN 59 HB1 ASN 59 3.482 2.773 -6.129 502 1HD2 ASN 59 HD21 ASN 59 0.423 3.519 -6.245 503 2HD2 ASN 59 HD22 ASN 59 0.440 5.050 -6.977 504 H GLU 60 HN GLU 60 5.935 1.610 -8.490 505 HA GLU 60 HA GLU 60 5.732 -1.272 -7.867 506 1HB GLU 60 HB2 GLU 60 7.980 0.491 -8.874 507 2HB GLU 60 HB1 GLU 60 8.164 -1.235 -8.551 508 1HG GLU 60 HG2 GLU 60 6.485 -1.797 -10.191 509 2HG GLU 60 HG1 GLU 60 6.047 -0.101 -10.400 510 H CYS 61 HN CYS 61 6.179 1.516 -6.079 511 HA CYS 61 HA CYS 61 8.319 0.678 -4.330 512 1HB CYS 61 HB2 CYS 61 7.615 2.491 -2.887 513 2HB CYS 61 HB1 CYS 61 7.520 3.044 -4.559 514 HG CYS 61 HG CYS 61 5.059 3.280 -4.342 515 H PHE 62 HN PHE 62 5.010 -0.263 -4.595 516 HA PHE 62 HA PHE 62 4.730 -1.087 -1.804 517 1HB PHE 62 HB2 PHE 62 3.121 -1.704 -4.296 518 2HB PHE 62 HB1 PHE 62 2.719 -2.342 -2.704 519 HD1 PHE 62 HD1 PHE 62 1.978 -0.851 -0.892 520 HD2 PHE 62 HD2 PHE 62 2.823 0.644 -4.827 521 HE1 PHE 62 HE1 PHE 62 0.796 1.258 -0.343 522 HE2 PHE 62 HE2 PHE 62 1.645 2.757 -4.278 523 HZ PHE 62 HZ PHE 62 0.630 3.063 -2.036 524 H VAL 63 HN VAL 63 4.687 -3.301 -1.093 525 HA VAL 63 HA VAL 63 6.389 -5.127 -2.758 526 HB VAL 63 HB VAL 63 5.898 -5.193 0.237 527 1HG1 VAL 63 HG11 VAL 63 6.594 -7.327 -0.989 528 2HG1 VAL 63 HG12 VAL 63 7.664 -6.804 0.308 529 3HG1 VAL 63 HG13 VAL 63 8.103 -6.500 -1.372 530 1HG2 VAL 63 HG21 VAL 63 7.150 -3.136 -0.694 531 2HG2 VAL 63 HG22 VAL 63 8.423 -4.267 -1.146 532 3HG2 VAL 63 HG23 VAL 63 7.975 -4.074 0.548 533 H LYS 64 HN LYS 64 5.403 -6.949 -3.502 534 HA LYS 64 HA LYS 64 2.654 -7.573 -2.532 535 1HB LYS 64 HB2 LYS 64 4.267 -8.598 -4.898 536 2HB LYS 64 HB1 LYS 64 2.626 -9.112 -4.511 537 1HG LYS 64 HG2 LYS 64 1.834 -6.791 -4.753 538 2HG LYS 64 HG1 LYS 64 3.477 -6.274 -5.145 539 1HD LYS 64 HD2 LYS 64 3.498 -7.761 -7.101 540 2HD LYS 64 HD1 LYS 64 1.873 -8.318 -6.713 541 1HE LYS 64 HE2 LYS 64 0.887 -6.359 -7.435 542 2HE LYS 64 HE1 LYS 64 2.280 -5.364 -7.007 543 1HZ LYS 64 HZ1 LYS 64 2.312 -5.429 -9.311 544 2HZ LYS 64 HZ2 LYS 64 1.888 -7.072 -9.382 545 3HZ LYS 64 HZ3 LYS 64 3.446 -6.615 -8.882 546 H VAL 65 HN VAL 65 2.586 -9.064 -0.885 547 HA VAL 65 HA VAL 65 4.645 -11.238 -0.846 548 HB VAL 65 HB VAL 65 3.198 -11.057 1.658 549 1HG1 VAL 65 HG11 VAL 65 6.069 -10.466 0.904 550 2HG1 VAL 65 HG12 VAL 65 5.422 -12.014 1.447 551 3HG1 VAL 65 HG13 VAL 65 5.472 -10.643 2.554 552 1HG2 VAL 65 HG21 VAL 65 4.401 -8.462 0.650 553 2HG2 VAL 65 HG22 VAL 65 4.024 -8.789 2.341 554 3HG2 VAL 65 HG23 VAL 65 2.729 -8.733 1.146 555 HA PRO 66 HA PRO 66 0.865 -13.534 -1.828 556 1HB PRO 66 HB2 PRO 66 1.962 -15.933 -2.429 557 2HB PRO 66 HB1 PRO 66 2.124 -14.532 -3.508 558 1HG PRO 66 HG2 PRO 66 4.086 -15.637 -1.545 559 2HG PRO 66 HG1 PRO 66 4.358 -15.055 -3.198 560 1HD PRO 66 HD2 PRO 66 4.860 -13.536 -0.951 561 2HD PRO 66 HD1 PRO 66 4.465 -12.837 -2.538 562 H ARG 67 HN ARG 67 0.308 -16.079 -1.247 563 HA ARG 67 HA ARG 67 0.922 -16.574 1.626 564 1HB ARG 67 HB2 ARG 67 -1.445 -16.921 2.117 565 2HB ARG 67 HB1 ARG 67 -1.215 -15.292 1.484 566 1HG ARG 67 HG2 ARG 67 -1.822 -16.159 -0.792 567 2HG ARG 67 HG1 ARG 67 -2.233 -17.698 -0.054 568 1HD ARG 67 HD2 ARG 67 -3.546 -15.014 0.372 569 2HD ARG 67 HD1 ARG 67 -4.288 -16.488 -0.232 570 HE ARG 67 HE ARG 67 -4.127 -15.678 2.499 571 1HH1 ARG 67 HH21 ARG 67 -3.571 -18.489 0.557 572 2HH1 ARG 67 HH22 ARG 67 -3.712 -19.578 1.893 573 1HH2 ARG 67 HH11 ARG 67 -4.341 -17.092 4.213 574 2HH2 ARG 67 HH12 ARG 67 -4.158 -18.794 3.951 575 H ASP 68 HN ASP 68 -0.783 -18.795 1.927 576 HA ASP 68 HA ASP 68 0.709 -20.799 0.477 577 1HB ASP 68 HB2 ASP 68 -1.786 -20.963 2.184 578 2HB ASP 68 HB1 ASP 68 -0.998 -22.378 1.486 579 H ASP 69 HN ASP 69 0.008 -22.139 -1.229 580 HA ASP 69 HA ASP 69 -1.730 -20.899 -3.167 581 1HB ASP 69 HB2 ASP 69 -0.560 -23.694 -3.040 582 2HB ASP 69 HB1 ASP 69 -1.379 -23.014 -4.446 583 H LYS 70 HN LYS 70 -2.387 -22.847 -0.463 584 HA LYS 70 HA LYS 70 -4.545 -24.446 -1.379 585 1HB LYS 70 HB2 LYS 70 -4.021 -23.183 1.322 586 2HB LYS 70 HB1 LYS 70 -5.321 -24.338 1.026 587 1HG LYS 70 HG2 LYS 70 -3.667 -26.001 0.249 588 2HG LYS 70 HG1 LYS 70 -2.369 -24.846 0.554 589 1HD LYS 70 HD2 LYS 70 -2.982 -24.779 2.943 590 2HD LYS 70 HD1 LYS 70 -4.279 -25.936 2.641 591 1HE LYS 70 HE2 LYS 70 -2.637 -27.603 1.884 592 2HE LYS 70 HE1 LYS 70 -1.330 -26.449 2.151 593 1HZ LYS 70 HZ1 LYS 70 -2.251 -26.327 4.518 594 2HZ LYS 70 HZ2 LYS 70 -1.363 -27.708 4.081 595 3HZ LYS 70 HZ3 LYS 70 -3.060 -27.771 4.145 596 H LYS 71 HN LYS 71 -4.498 -21.069 -0.271 597 HA LYS 71 HA LYS 71 -7.354 -20.808 -1.173 598 1HB LYS 71 HB2 LYS 71 -5.949 -19.196 0.967 599 2HB LYS 71 HB1 LYS 71 -7.660 -19.136 0.544 600 1HG LYS 71 HG2 LYS 71 -7.722 -21.641 1.106 601 2HG LYS 71 HG1 LYS 71 -6.142 -21.395 1.851 602 1HD LYS 71 HD2 LYS 71 -8.681 -19.902 2.572 603 2HD LYS 71 HD1 LYS 71 -7.943 -21.190 3.523 604 1HE LYS 71 HE2 LYS 71 -7.121 -19.251 4.560 605 2HE LYS 71 HE1 LYS 71 -5.808 -19.682 3.465 606 1HZ LYS 71 HZ1 LYS 71 -7.110 -17.287 3.552 607 2HZ LYS 71 HZ2 LYS 71 -7.795 -18.059 2.202 608 3HZ LYS 71 HZ3 LYS 71 -6.113 -17.834 2.293 609 HA PRO 72 HA PRO 72 -4.799 -17.860 -3.641 610 1HB PRO 72 HB2 PRO 72 -5.627 -18.583 -6.116 611 2HB PRO 72 HB1 PRO 72 -4.382 -19.498 -5.244 612 1HG PRO 72 HG2 PRO 72 -7.267 -20.128 -5.630 613 2HG PRO 72 HG1 PRO 72 -5.870 -21.216 -5.611 614 1HD PRO 72 HD2 PRO 72 -7.601 -20.802 -3.453 615 2HD PRO 72 HD1 PRO 72 -5.961 -21.473 -3.321 616 H GLY 73 HN GLY 73 -7.970 -18.298 -2.924 617 1HA GLY 73 HA2 GLY 73 -9.316 -16.507 -4.722 618 2HA GLY 73 HA1 GLY 73 -9.902 -16.971 -3.124 619 H LYS 74 HN LYS 74 -7.772 -16.021 -1.545 620 HA LYS 74 HA LYS 74 -8.409 -13.175 -1.507 621 1HB LYS 74 HB2 LYS 74 -6.488 -14.847 0.143 622 2HB LYS 74 HB1 LYS 74 -6.822 -13.141 0.445 623 1HG LYS 74 HG2 LYS 74 -9.216 -13.665 0.753 624 2HG LYS 74 HG1 LYS 74 -8.880 -15.371 0.458 625 1HD LYS 74 HD2 LYS 74 -7.364 -15.407 2.410 626 2HD LYS 74 HD1 LYS 74 -7.718 -13.705 2.710 627 1HE LYS 74 HE2 LYS 74 -9.796 -15.913 2.677 628 2HE LYS 74 HE1 LYS 74 -9.084 -15.230 4.138 629 1HZ LYS 74 HZ1 LYS 74 -11.192 -14.219 2.546 630 2HZ LYS 74 HZ2 LYS 74 -9.927 -13.087 2.615 631 3HZ LYS 74 HZ3 LYS 74 -10.630 -13.668 4.048 632 H GLY 75 HN GLY 75 -7.057 -11.478 -2.120 633 1HA GLY 75 HA2 GLY 75 -5.032 -12.027 -4.089 634 2HA GLY 75 HA1 GLY 75 -5.355 -10.446 -3.372 635 H SER 76 HN SER 76 -2.796 -10.683 -3.650 636 HA SER 76 HA SER 76 -1.498 -12.190 -1.505 637 1HB SER 76 HB2 SER 76 -0.472 -10.163 -3.509 638 2HB SER 76 HB1 SER 76 0.555 -10.955 -2.316 639 HG SER 76 HG SER 76 0.039 -11.880 -4.625 640 H TYR 77 HN TYR 77 -0.180 -11.116 0.166 641 HA TYR 77 HA TYR 77 -1.653 -9.028 1.518 642 1HB TYR 77 HB2 TYR 77 1.082 -10.223 2.010 643 2HB TYR 77 HB1 TYR 77 0.327 -9.042 3.072 644 HD1 TYR 77 HD1 TYR 77 -2.195 -9.629 3.746 645 HD2 TYR 77 HD2 TYR 77 0.752 -12.488 2.490 646 HE1 TYR 77 HE1 TYR 77 -3.494 -11.445 4.830 647 HE2 TYR 77 HE2 TYR 77 -0.543 -14.303 3.574 648 HH TYR 77 HH TYR 77 -2.707 -14.799 4.362 649 H TRP 78 HN TRP 78 -0.958 -6.860 1.909 650 HA TRP 78 HA TRP 78 1.105 -5.821 -0.016 651 1HB TRP 78 HB2 TRP 78 -1.530 -4.621 0.887 652 2HB TRP 78 HB1 TRP 78 -0.297 -3.719 0.001 653 HD1 TRP 78 HD1 TRP 78 -2.658 -6.722 -0.381 654 HE1 TRP 78 HE1 TRP 78 -2.939 -7.226 -2.894 655 HE3 TRP 78 HE3 TRP 78 0.703 -3.418 -2.311 656 HZ2 TRP 78 HZ2 TRP 78 -1.865 -6.336 -5.402 657 HZ3 TRP 78 HZ3 TRP 78 1.057 -3.258 -4.755 658 HH2 TRP 78 HH2 TRP 78 -0.231 -4.700 -6.302 659 H THR 79 HN THR 79 2.737 -4.711 0.916 660 HA THR 79 HA THR 79 2.373 -3.233 3.416 661 HB THR 79 HB THR 79 2.707 -5.550 4.238 662 HG1 THR 79 HG1 THR 79 5.072 -4.798 5.044 663 1HG2 THR 79 HG21 THR 79 5.445 -5.428 2.969 664 2HG2 THR 79 HG22 THR 79 4.074 -6.188 2.162 665 3HG2 THR 79 HG23 THR 79 4.647 -6.817 3.707 666 H LEU 80 HN LEU 80 4.461 -2.102 3.999 667 HA LEU 80 HA LEU 80 6.030 -1.516 1.517 668 1HB LEU 80 HB2 LEU 80 5.806 0.077 4.089 669 2HB LEU 80 HB1 LEU 80 6.623 0.588 2.613 670 HG LEU 80 HG LEU 80 3.664 -0.011 2.872 671 1HD1 LEU 80 HD11 LEU 80 5.067 2.633 2.389 672 2HD1 LEU 80 HD12 LEU 80 4.496 2.103 3.972 673 3HD1 LEU 80 HD13 LEU 80 3.344 2.379 2.665 674 1HD2 LEU 80 HD21 LEU 80 3.767 1.214 0.540 675 2HD2 LEU 80 HD22 LEU 80 4.146 -0.503 0.632 676 3HD2 LEU 80 HD23 LEU 80 5.449 0.683 0.543 677 H ASP 81 HN ASP 81 7.061 -3.741 2.258 678 HA ASP 81 HA ASP 81 9.575 -3.034 3.635 679 1HB ASP 81 HB2 ASP 81 7.910 -5.358 4.627 680 2HB ASP 81 HB1 ASP 81 9.430 -4.766 5.299 681 HA PRO 82 HA PRO 82 10.090 -5.840 -0.031 682 1HB PRO 82 HB2 PRO 82 12.729 -4.429 -0.025 683 2HB PRO 82 HB1 PRO 82 11.612 -4.727 -1.368 684 1HG PRO 82 HG2 PRO 82 11.862 -2.307 -0.279 685 2HG PRO 82 HG1 PRO 82 10.294 -2.906 -0.849 686 1HD PRO 82 HD2 PRO 82 11.318 -2.687 1.966 687 2HD PRO 82 HD1 PRO 82 9.675 -2.412 1.341 688 H ASP 83 HN ASP 83 13.185 -5.121 1.549 689 HA ASP 83 HA ASP 83 13.239 -7.701 2.949 690 1HB ASP 83 HB2 ASP 83 14.970 -7.098 0.538 691 2HB ASP 83 HB1 ASP 83 15.453 -8.273 1.761 692 H SER 84 HN SER 84 13.291 -5.038 3.829 693 HA SER 84 HA SER 84 15.856 -3.899 4.165 694 1HB SER 84 HB2 SER 84 13.456 -3.769 6.010 695 2HB SER 84 HB1 SER 84 14.854 -2.700 6.094 696 HG SER 84 HG SER 84 13.522 -1.607 4.802 697 H TYR 85 HN TYR 85 14.166 -6.326 6.167 698 HA TYR 85 HA TYR 85 15.992 -6.345 8.333 699 1HB TYR 85 HB2 TYR 85 14.969 -9.021 7.532 700 2HB TYR 85 HB1 TYR 85 14.818 -8.175 9.069 701 HD1 TYR 85 HD1 TYR 85 13.442 -8.530 5.661 702 HD2 TYR 85 HD2 TYR 85 12.910 -6.772 9.544 703 HE1 TYR 85 HE1 TYR 85 11.108 -7.931 5.070 704 HE2 TYR 85 HE2 TYR 85 10.577 -6.171 8.952 705 HH TYR 85 HH TYR 85 8.855 -7.472 6.735 706 H ASN 86 HN ASN 86 16.269 -7.722 5.115 707 HA ASN 86 HA ASN 86 18.562 -9.372 5.788 708 1HB ASN 86 HB2 ASN 86 17.488 -8.468 3.102 709 2HB ASN 86 HB1 ASN 86 18.748 -9.683 3.328 710 1HD2 ASN 86 HD21 ASN 86 15.316 -9.159 3.328 711 2HD2 ASN 86 HD22 ASN 86 14.866 -10.721 3.816 712 H MET 87 HN MET 87 18.142 -6.100 5.415 713 HA MET 87 HA MET 87 20.816 -5.581 4.253 714 1HB MET 87 HB2 MET 87 18.623 -3.726 5.227 715 2HB MET 87 HB1 MET 87 20.163 -3.173 4.573 716 1HG MET 87 HG2 MET 87 19.712 -4.208 2.439 717 2HG MET 87 HG1 MET 87 18.272 -5.004 3.074 718 1HE MET 87 HE1 MET 87 17.880 -3.474 0.450 719 2HE MET 87 HE2 MET 87 16.367 -2.669 0.861 720 3HE MET 87 HE3 MET 87 16.677 -4.300 1.450 721 H PHE 88 HN PHE 88 22.405 -6.051 5.744 722 HA PHE 88 HA PHE 88 22.014 -5.289 8.583 723 1HB PHE 88 HB2 PHE 88 24.150 -6.501 8.935 724 2HB PHE 88 HB1 PHE 88 22.947 -7.502 8.123 725 HD1 PHE 88 HD1 PHE 88 26.120 -5.683 7.753 726 HD2 PHE 88 HD2 PHE 88 23.154 -8.050 5.739 727 HE1 PHE 88 HE1 PHE 88 27.682 -6.030 5.857 728 HE2 PHE 88 HE2 PHE 88 24.715 -8.396 3.845 729 HZ PHE 88 HZ PHE 88 26.981 -7.387 3.904 730 H GLU 89 HN GLU 89 23.032 -3.729 5.857 731 HA GLU 89 HA GLU 89 25.251 -2.255 7.194 732 1HB GLU 89 HB2 GLU 89 24.225 -2.287 4.346 733 2HB GLU 89 HB1 GLU 89 25.482 -1.185 4.914 734 1HG GLU 89 HG2 GLU 89 26.855 -3.110 5.621 735 2HG GLU 89 HG1 GLU 89 25.603 -4.213 5.051 736 H ASN 90 HN ASN 90 25.179 0.084 7.282 737 HA ASN 90 HA ASN 90 22.453 1.106 7.788 738 1HB ASN 90 HB2 ASN 90 23.599 3.013 8.812 739 2HB ASN 90 HB1 ASN 90 24.288 1.509 9.426 740 1HD2 ASN 90 HD21 ASN 90 25.751 4.031 9.356 741 2HD2 ASN 90 HD22 ASN 90 27.055 3.830 8.288 742 H GLY 91 HN GLY 91 24.053 0.754 5.073 743 1HA GLY 91 HA2 GLY 91 22.654 2.634 3.536 744 2HA GLY 91 HA1 GLY 91 24.184 3.410 3.955 745 H SER 92 HN SER 92 22.944 0.320 2.669 746 HA SER 92 HA SER 92 25.479 -0.394 1.469 747 1HB SER 92 HB2 SER 92 23.492 -1.928 2.131 748 2HB SER 92 HB1 SER 92 22.795 -1.457 0.584 749 HG SER 92 HG SER 92 24.925 -2.100 -0.293 750 H PHE 93 HN PHE 93 22.377 0.246 -0.202 751 HA PHE 93 HA PHE 93 23.750 0.960 -2.652 752 1HB PHE 93 HB2 PHE 93 21.419 -0.020 -2.516 753 2HB PHE 93 HB1 PHE 93 20.867 1.554 -1.938 754 HD1 PHE 93 HD1 PHE 93 22.174 -0.331 -4.806 755 HD2 PHE 93 HD2 PHE 93 20.917 3.531 -3.407 756 HE1 PHE 93 HE1 PHE 93 22.091 0.487 -7.145 757 HE2 PHE 93 HE2 PHE 93 20.830 4.349 -5.748 758 HZ PHE 93 HZ PHE 93 21.417 2.827 -7.617 759 H LEU 94 HN LEU 94 22.421 2.759 0.070 760 HA LEU 94 HA LEU 94 22.327 5.343 -1.110 761 1HB LEU 94 HB2 LEU 94 23.023 4.604 1.751 762 2HB LEU 94 HB1 LEU 94 22.499 6.193 1.199 763 HG LEU 94 HG LEU 94 20.876 3.637 1.025 764 1HD1 LEU 94 HD11 LEU 94 21.047 4.451 3.313 765 2HD1 LEU 94 HD12 LEU 94 19.434 4.808 2.697 766 3HD1 LEU 94 HD13 LEU 94 20.644 6.088 2.796 767 1HD2 LEU 94 HD21 LEU 94 19.056 5.499 0.529 768 2HD2 LEU 94 HD22 LEU 94 20.075 4.894 -0.772 769 3HD2 LEU 94 HD23 LEU 94 20.452 6.436 -0.003 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -22.665 19.652 2.105 2 2H MET 1 HT2 MET 1 -22.471 18.844 3.587 3 3H MET 1 HT3 MET 1 -24.025 19.085 2.946 4 HA MET 1 HA MET 1 -23.755 16.955 2.290 5 1HB MET 1 HB2 MET 1 -22.484 18.766 0.248 6 2HB MET 1 HB1 MET 1 -22.528 17.028 -0.050 7 1HG MET 1 HG2 MET 1 -24.498 18.261 -1.003 8 2HG MET 1 HG1 MET 1 -24.940 16.992 0.136 9 1HE MET 1 HE1 MET 1 -24.528 20.843 -0.458 10 2HE MET 1 HE2 MET 1 -26.086 21.287 0.236 11 3HE MET 1 HE3 MET 1 -26.012 20.077 -1.043 12 H LEU 2 HN LEU 2 -21.919 15.454 1.038 13 HA LEU 2 HA LEU 2 -19.669 15.367 2.998 14 1HB LEU 2 HB2 LEU 2 -20.586 13.254 1.028 15 2HB LEU 2 HB1 LEU 2 -19.428 13.042 2.342 16 HG LEU 2 HG LEU 2 -22.357 13.763 2.660 17 1HD1 LEU 2 HD11 LEU 2 -22.425 11.486 3.755 18 2HD1 LEU 2 HD12 LEU 2 -20.796 11.213 3.134 19 3HD1 LEU 2 HD13 LEU 2 -22.137 11.454 2.014 20 1HD2 LEU 2 HD21 LEU 2 -21.677 13.136 5.130 21 2HD2 LEU 2 HD22 LEU 2 -21.332 14.750 4.517 22 3HD2 LEU 2 HD23 LEU 2 -20.049 13.543 4.586 23 H VAL 3 HN VAL 3 -17.542 15.435 2.317 24 HA VAL 3 HA VAL 3 -17.013 15.692 -0.624 25 HB VAL 3 HB VAL 3 -15.361 17.455 -0.109 26 1HG1 VAL 3 HG11 VAL 3 -16.946 19.234 0.313 27 2HG1 VAL 3 HG12 VAL 3 -18.063 18.116 1.098 28 3HG1 VAL 3 HG13 VAL 3 -17.769 17.997 -0.637 29 1HG2 VAL 3 HG21 VAL 3 -15.439 18.474 2.189 30 2HG2 VAL 3 HG22 VAL 3 -14.784 16.836 2.171 31 3HG2 VAL 3 HG23 VAL 3 -16.441 17.118 2.706 32 H LYS 4 HN LYS 4 -14.763 15.154 -1.193 33 HA LYS 4 HA LYS 4 -13.868 12.794 0.195 34 1HB LYS 4 HB2 LYS 4 -12.663 14.457 -2.026 35 2HB LYS 4 HB1 LYS 4 -11.893 12.994 -1.409 36 1HG LYS 4 HG2 LYS 4 -13.791 11.645 -2.011 37 2HG LYS 4 HG1 LYS 4 -14.753 13.064 -2.402 38 1HD LYS 4 HD2 LYS 4 -12.155 12.594 -3.860 39 2HD LYS 4 HD1 LYS 4 -13.580 11.676 -4.330 40 1HE LYS 4 HE2 LYS 4 -13.622 13.571 -5.737 41 2HE LYS 4 HE1 LYS 4 -14.784 13.966 -4.477 42 1HZ LYS 4 HZ1 LYS 4 -13.511 15.619 -3.726 43 2HZ LYS 4 HZ2 LYS 4 -12.703 15.509 -5.216 44 3HZ LYS 4 HZ3 LYS 4 -12.078 14.719 -3.849 45 HA PRO 5 HA PRO 5 -11.175 14.829 3.094 46 1HB PRO 5 HB2 PRO 5 -9.541 12.828 3.842 47 2HB PRO 5 HB1 PRO 5 -11.273 12.799 4.220 48 1HG PRO 5 HG2 PRO 5 -9.816 11.437 1.992 49 2HG PRO 5 HG1 PRO 5 -11.040 10.780 3.094 50 1HD PRO 5 HD2 PRO 5 -11.651 11.649 0.567 51 2HD PRO 5 HD1 PRO 5 -12.804 11.726 1.921 52 HA PRO 6 HA PRO 6 -7.781 16.596 0.708 53 1HB PRO 6 HB2 PRO 6 -6.389 16.386 3.368 54 2HB PRO 6 HB1 PRO 6 -6.399 17.732 2.211 55 1HG PRO 6 HG2 PRO 6 -7.947 17.775 4.373 56 2HG PRO 6 HG1 PRO 6 -8.516 18.418 2.823 57 1HD PRO 6 HD2 PRO 6 -9.349 15.933 4.232 58 2HD PRO 6 HD1 PRO 6 -10.230 16.902 3.029 59 H TYR 7 HN TYR 7 -7.347 13.663 2.614 60 HA TYR 7 HA TYR 7 -4.687 13.026 1.844 61 1HB TYR 7 HB2 TYR 7 -6.820 10.915 2.132 62 2HB TYR 7 HB1 TYR 7 -5.128 10.845 2.616 63 HD1 TYR 7 HD1 TYR 7 -8.119 10.705 4.062 64 HD2 TYR 7 HD2 TYR 7 -4.711 13.323 4.120 65 HE1 TYR 7 HE1 TYR 7 -8.754 11.481 6.316 66 HE2 TYR 7 HE2 TYR 7 -5.351 14.100 6.381 67 HH TYR 7 HH TYR 7 -8.141 13.933 7.662 68 H SER 8 HN SER 8 -3.816 12.140 0.027 69 HA SER 8 HA SER 8 -5.475 12.081 -2.397 70 1HB SER 8 HB2 SER 8 -3.429 11.879 -3.591 71 2HB SER 8 HB1 SER 8 -3.052 12.942 -2.237 72 HG SER 8 HG SER 8 -2.285 11.072 -1.128 73 H TYR 9 HN TYR 9 -5.021 10.079 -3.897 74 HA TYR 9 HA TYR 9 -6.103 7.761 -2.617 75 1HB TYR 9 HB2 TYR 9 -4.702 8.118 -5.280 76 2HB TYR 9 HB1 TYR 9 -5.475 6.612 -4.777 77 HD1 TYR 9 HD1 TYR 9 -7.944 6.834 -3.888 78 HD2 TYR 9 HD2 TYR 9 -5.999 9.736 -6.389 79 HE1 TYR 9 HE1 TYR 9 -10.155 7.727 -4.572 80 HE2 TYR 9 HE2 TYR 9 -8.211 10.625 -7.075 81 HH TYR 9 HH TYR 9 -11.218 9.365 -5.657 82 H ILE 10 HN ILE 10 -2.789 8.694 -3.459 83 HA ILE 10 HA ILE 10 -1.570 6.177 -2.757 84 HB ILE 10 HB ILE 10 -0.409 8.980 -2.747 85 1HG1 ILE 10 HG12 ILE 10 -1.293 8.423 -4.945 86 2HG1 ILE 10 HG11 ILE 10 0.465 8.350 -4.994 87 1HG2 ILE 10 HG21 ILE 10 1.023 7.491 -1.498 88 2HG2 ILE 10 HG22 ILE 10 1.758 7.754 -3.079 89 3HG2 ILE 10 HG23 ILE 10 0.900 6.250 -2.746 90 1HD1 ILE 10 HD11 ILE 10 -0.110 6.383 -6.101 91 2HD1 ILE 10 HD12 ILE 10 -1.527 6.105 -5.092 92 3HD1 ILE 10 HD13 ILE 10 0.085 5.793 -4.452 93 H ALA 11 HN ALA 11 -2.172 9.179 -0.931 94 HA ALA 11 HA ALA 11 -0.799 8.341 1.451 95 1HB ALA 11 HB1 ALA 11 -3.033 10.356 1.046 96 2HB ALA 11 HB2 ALA 11 -1.301 10.693 1.097 97 3HB ALA 11 HB3 ALA 11 -2.138 10.156 2.553 98 H LEU 12 HN LEU 12 -4.190 8.037 0.422 99 HA LEU 12 HA LEU 12 -5.209 7.060 2.894 100 1HB LEU 12 HB2 LEU 12 -6.029 6.516 0.026 101 2HB LEU 12 HB1 LEU 12 -6.957 5.953 1.412 102 HG LEU 12 HG LEU 12 -6.211 8.863 0.993 103 1HD1 LEU 12 HD11 LEU 12 -8.650 9.073 0.285 104 2HD1 LEU 12 HD12 LEU 12 -8.664 7.317 0.120 105 3HD1 LEU 12 HD13 LEU 12 -7.586 8.288 -0.881 106 1HD2 LEU 12 HD21 LEU 12 -8.385 9.005 2.494 107 2HD2 LEU 12 HD22 LEU 12 -6.831 8.658 3.239 108 3HD2 LEU 12 HD23 LEU 12 -7.965 7.348 2.921 109 H ILE 13 HN ILE 13 -3.634 5.418 0.173 110 HA ILE 13 HA ILE 13 -3.927 2.746 1.204 111 HB ILE 13 HB ILE 13 -1.827 3.956 -0.617 112 1HG1 ILE 13 HG12 ILE 13 -4.248 2.261 -1.299 113 2HG1 ILE 13 HG11 ILE 13 -4.240 4.020 -1.382 114 1HG2 ILE 13 HG21 ILE 13 -2.457 1.089 0.116 115 2HG2 ILE 13 HG22 ILE 13 -0.914 1.929 0.270 116 3HG2 ILE 13 HG23 ILE 13 -1.543 1.529 -1.326 117 1HD1 ILE 13 HD11 ILE 13 -3.506 3.777 -3.507 118 2HD1 ILE 13 HD12 ILE 13 -3.150 2.070 -3.266 119 3HD1 ILE 13 HD13 ILE 13 -1.954 3.287 -2.830 120 H THR 14 HN THR 14 -1.323 5.163 1.426 121 HA THR 14 HA THR 14 0.498 3.572 2.917 122 HB THR 14 HB THR 14 0.151 6.578 2.908 123 HG1 THR 14 HG1 THR 14 1.776 4.824 1.383 124 1HG2 THR 14 HG21 THR 14 2.620 6.494 3.482 125 2HG2 THR 14 HG22 THR 14 2.406 4.774 3.810 126 3HG2 THR 14 HG23 THR 14 1.536 5.970 4.771 127 H MET 15 HN MET 15 -2.029 5.830 4.042 128 HA MET 15 HA MET 15 -1.346 5.522 6.825 129 1HB MET 15 HB2 MET 15 -3.846 6.513 5.444 130 2HB MET 15 HB1 MET 15 -3.649 6.516 7.198 131 1HG MET 15 HG2 MET 15 -1.534 7.846 6.883 132 2HG MET 15 HG1 MET 15 -1.925 7.966 5.168 133 1HE MET 15 HE1 MET 15 -3.908 8.754 4.220 134 2HE MET 15 HE2 MET 15 -4.942 10.037 4.832 135 3HE MET 15 HE3 MET 15 -5.275 8.367 5.272 136 H ALA 16 HN ALA 16 -3.717 3.904 4.732 137 HA ALA 16 HA ALA 16 -5.130 2.467 6.702 138 1HB ALA 16 HB1 ALA 16 -6.000 2.261 4.541 139 2HB ALA 16 HB2 ALA 16 -5.250 0.681 4.767 140 3HB ALA 16 HB3 ALA 16 -4.421 1.929 3.833 141 H ILE 17 HN ILE 17 -2.065 1.640 5.088 142 HA ILE 17 HA ILE 17 -1.690 -0.915 6.294 143 HB ILE 17 HB ILE 17 0.395 1.159 5.527 144 1HG1 ILE 17 HG12 ILE 17 -0.672 -1.176 3.918 145 2HG1 ILE 17 HG11 ILE 17 -1.274 0.473 3.752 146 1HG2 ILE 17 HG21 ILE 17 1.446 -0.535 6.853 147 2HG2 ILE 17 HG22 ILE 17 1.766 -0.974 5.176 148 3HG2 ILE 17 HG23 ILE 17 0.510 -1.815 6.082 149 1HD1 ILE 17 HD11 ILE 17 0.456 0.041 2.059 150 2HD1 ILE 17 HD12 ILE 17 1.595 -0.421 3.323 151 3HD1 ILE 17 HD13 ILE 17 1.025 1.245 3.216 152 H GLN 18 HN GLN 18 -0.685 2.327 7.289 153 HA GLN 18 HA GLN 18 0.679 1.616 9.678 154 1HB GLN 18 HB2 GLN 18 -0.824 4.123 8.893 155 2HB GLN 18 HB1 GLN 18 0.137 3.996 10.368 156 1HG GLN 18 HG2 GLN 18 2.122 3.406 9.026 157 2HG GLN 18 HG1 GLN 18 1.162 3.543 7.552 158 1HE2 GLN 18 HE21 GLN 18 2.153 5.396 6.626 159 2HE2 GLN 18 HE22 GLN 18 2.175 6.918 7.377 160 H ASN 19 HN ASN 19 -2.759 2.481 9.192 161 HA ASN 19 HA ASN 19 -3.315 1.842 12.030 162 1HB ASN 19 HB2 ASN 19 -5.628 2.576 11.475 163 2HB ASN 19 HB1 ASN 19 -4.416 3.807 11.116 164 1HD2 ASN 19 HD21 ASN 19 -4.441 4.640 9.029 165 2HD2 ASN 19 HD22 ASN 19 -5.248 3.938 7.712 166 H ALA 20 HN ALA 20 -2.651 -0.132 9.682 167 HA ALA 20 HA ALA 20 -5.052 -1.773 9.528 168 1HB ALA 20 HB1 ALA 20 -2.165 -2.413 8.833 169 2HB ALA 20 HB2 ALA 20 -3.382 -1.793 7.713 170 3HB ALA 20 HB3 ALA 20 -3.561 -3.405 8.405 171 HA PRO 21 HA PRO 21 -4.619 -3.645 13.624 172 1HB PRO 21 HB2 PRO 21 -5.422 -6.100 12.081 173 2HB PRO 21 HB1 PRO 21 -6.019 -5.515 13.646 174 1HG PRO 21 HG2 PRO 21 -7.420 -5.163 11.395 175 2HG PRO 21 HG1 PRO 21 -7.406 -3.949 12.685 176 1HD PRO 21 HD2 PRO 21 -6.133 -3.832 10.002 177 2HD PRO 21 HD1 PRO 21 -6.602 -2.504 11.086 178 H GLU 22 HN GLU 22 -3.368 -5.229 10.723 179 HA GLU 22 HA GLU 22 -0.909 -6.033 12.243 180 1HB GLU 22 HB2 GLU 22 -2.297 -7.517 9.981 181 2HB GLU 22 HB1 GLU 22 -0.708 -7.925 10.613 182 1HG GLU 22 HG2 GLU 22 -2.072 -9.380 11.826 183 2HG GLU 22 HG1 GLU 22 -1.929 -8.021 12.937 184 H LYS 23 HN LYS 23 1.061 -5.836 10.928 185 HA LYS 23 HA LYS 23 1.074 -3.518 9.281 186 1HB LYS 23 HB2 LYS 23 3.102 -4.387 10.409 187 2HB LYS 23 HB1 LYS 23 3.081 -5.800 9.360 188 1HG LYS 23 HG2 LYS 23 4.696 -4.275 8.445 189 2HG LYS 23 HG1 LYS 23 3.292 -4.211 7.387 190 1HD LYS 23 HD2 LYS 23 2.572 -2.121 8.318 191 2HD LYS 23 HD1 LYS 23 3.717 -2.252 9.655 192 1HE LYS 23 HE2 LYS 23 4.529 -2.067 6.740 193 2HE LYS 23 HE1 LYS 23 4.442 -0.679 7.826 194 1HZ LYS 23 HZ1 LYS 23 6.679 -1.532 7.748 195 2HZ LYS 23 HZ2 LYS 23 6.146 -3.086 8.183 196 3HZ LYS 23 HZ3 LYS 23 6.028 -1.802 9.291 197 H LYS 24 HN LYS 24 0.898 -6.974 8.470 198 HA LYS 24 HA LYS 24 0.709 -6.335 5.581 199 1HB LYS 24 HB2 LYS 24 0.647 -8.965 7.092 200 2HB LYS 24 HB1 LYS 24 0.534 -8.826 5.336 201 1HG LYS 24 HG2 LYS 24 2.726 -7.693 5.284 202 2HG LYS 24 HG1 LYS 24 2.840 -7.837 7.039 203 1HD LYS 24 HD2 LYS 24 2.746 -10.296 6.844 204 2HD LYS 24 HD1 LYS 24 2.637 -10.151 5.090 205 1HE LYS 24 HE2 LYS 24 4.826 -8.940 5.101 206 2HE LYS 24 HE1 LYS 24 4.949 -9.250 6.833 207 1HZ LYS 24 HZ1 LYS 24 4.335 -11.610 5.341 208 2HZ LYS 24 HZ2 LYS 24 5.576 -11.335 6.469 209 3HZ LYS 24 HZ3 LYS 24 5.794 -10.907 4.840 210 H ILE 25 HN ILE 25 -1.230 -6.007 4.624 211 HA ILE 25 HA ILE 25 -3.698 -7.159 5.880 212 HB ILE 25 HB ILE 25 -3.525 -4.763 6.457 213 1HG1 ILE 25 HG12 ILE 25 -5.592 -5.179 4.280 214 2HG1 ILE 25 HG11 ILE 25 -5.742 -5.855 5.903 215 1HG2 ILE 25 HG21 ILE 25 -3.562 -4.289 3.463 216 2HG2 ILE 25 HG22 ILE 25 -2.117 -4.158 4.467 217 3HG2 ILE 25 HG23 ILE 25 -3.475 -3.063 4.727 218 1HD1 ILE 25 HD11 ILE 25 -5.428 -2.906 5.265 219 2HD1 ILE 25 HD12 ILE 25 -5.635 -3.602 6.872 220 3HD1 ILE 25 HD13 ILE 25 -6.945 -3.694 5.695 221 H THR 26 HN THR 26 -5.466 -7.446 4.320 222 HA THR 26 HA THR 26 -4.448 -8.261 1.695 223 HB THR 26 HB THR 26 -6.851 -8.959 1.331 224 HG1 THR 26 HG1 THR 26 -7.266 -7.304 3.265 225 1HG2 THR 26 HG21 THR 26 -6.715 -10.844 2.838 226 2HG2 THR 26 HG22 THR 26 -5.638 -9.961 3.920 227 3HG2 THR 26 HG23 THR 26 -5.078 -10.445 2.319 228 H LEU 27 HN LEU 27 -5.434 -7.526 -0.320 229 HA LEU 27 HA LEU 27 -5.531 -4.699 -0.583 230 1HB LEU 27 HB2 LEU 27 -4.982 -6.194 -2.451 231 2HB LEU 27 HB1 LEU 27 -6.596 -6.889 -2.397 232 HG LEU 27 HG LEU 27 -7.596 -4.853 -3.185 233 1HD1 LEU 27 HD11 LEU 27 -6.471 -3.125 -2.014 234 2HD1 LEU 27 HD12 LEU 27 -6.007 -2.876 -3.694 235 3HD1 LEU 27 HD13 LEU 27 -4.888 -3.659 -2.579 236 1HD2 LEU 27 HD21 LEU 27 -6.400 -4.517 -5.323 237 2HD2 LEU 27 HD22 LEU 27 -6.523 -6.227 -4.908 238 3HD2 LEU 27 HD23 LEU 27 -5.002 -5.366 -4.664 239 H ASN 28 HN ASN 28 -8.159 -7.104 -0.571 240 HA ASN 28 HA ASN 28 -10.331 -5.284 -0.805 241 1HB ASN 28 HB2 ASN 28 -10.132 -7.997 0.520 242 2HB ASN 28 HB1 ASN 28 -11.652 -7.132 0.293 243 1HD2 ASN 28 HD21 ASN 28 -9.792 -9.486 -1.127 244 2HD2 ASN 28 HD22 ASN 28 -10.264 -9.287 -2.744 245 H GLY 29 HN GLY 29 -8.578 -6.470 2.045 246 1HA GLY 29 HA2 GLY 29 -10.282 -5.400 4.040 247 2HA GLY 29 HA1 GLY 29 -8.560 -5.698 4.255 248 H ILE 30 HN ILE 30 -7.577 -3.842 2.297 249 HA ILE 30 HA ILE 30 -7.525 -1.451 3.848 250 HB ILE 30 HB ILE 30 -6.849 -1.955 0.935 251 1HG1 ILE 30 HG12 ILE 30 -5.049 -1.447 3.318 252 2HG1 ILE 30 HG11 ILE 30 -5.512 -3.065 2.794 253 1HG2 ILE 30 HG21 ILE 30 -7.308 0.397 1.079 254 2HG2 ILE 30 HG22 ILE 30 -5.556 0.232 1.189 255 3HG2 ILE 30 HG23 ILE 30 -6.507 0.522 2.646 256 1HD1 ILE 30 HD11 ILE 30 -3.297 -2.222 1.872 257 2HD1 ILE 30 HD12 ILE 30 -4.225 -1.043 0.945 258 3HD1 ILE 30 HD13 ILE 30 -4.455 -2.768 0.659 259 H TYR 31 HN TYR 31 -9.440 -2.317 0.974 260 HA TYR 31 HA TYR 31 -10.673 0.218 0.591 261 1HB TYR 31 HB2 TYR 31 -11.500 -2.613 -0.050 262 2HB TYR 31 HB1 TYR 31 -12.547 -1.250 -0.442 263 HD1 TYR 31 HD1 TYR 31 -11.491 0.702 -1.776 264 HD2 TYR 31 HD2 TYR 31 -9.713 -3.180 -1.476 265 HE1 TYR 31 HE1 TYR 31 -10.110 1.194 -3.756 266 HE2 TYR 31 HE2 TYR 31 -8.320 -2.694 -3.461 267 HH TYR 31 HH TYR 31 -8.880 -0.044 -5.502 268 H GLN 32 HN GLN 32 -11.664 -2.520 2.626 269 HA GLN 32 HA GLN 32 -14.190 -1.477 3.394 270 1HB GLN 32 HB2 GLN 32 -12.239 -3.286 4.828 271 2HB GLN 32 HB1 GLN 32 -13.857 -2.942 5.443 272 1HG GLN 32 HG2 GLN 32 -13.292 -4.062 2.683 273 2HG GLN 32 HG1 GLN 32 -13.715 -5.056 4.076 274 1HE2 GLN 32 HE21 GLN 32 -15.621 -2.995 5.151 275 2HE2 GLN 32 HE22 GLN 32 -16.981 -3.064 4.139 276 H PHE 33 HN PHE 33 -10.953 -0.944 4.755 277 HA PHE 33 HA PHE 33 -11.755 0.547 7.040 278 1HB PHE 33 HB2 PHE 33 -9.449 -0.284 6.659 279 2HB PHE 33 HB1 PHE 33 -9.252 0.893 5.361 280 HD1 PHE 33 HD1 PHE 33 -9.801 0.497 9.011 281 HD2 PHE 33 HD2 PHE 33 -8.820 3.206 5.825 282 HE1 PHE 33 HE1 PHE 33 -9.135 2.210 10.675 283 HE2 PHE 33 HE2 PHE 33 -8.158 4.923 7.489 284 HZ PHE 33 HZ PHE 33 -8.313 4.423 9.914 285 H ILE 34 HN ILE 34 -10.908 1.666 3.756 286 HA ILE 34 HA ILE 34 -11.304 4.442 4.228 287 HB ILE 34 HB ILE 34 -11.561 2.763 1.721 288 1HG1 ILE 34 HG12 ILE 34 -9.441 4.774 2.502 289 2HG1 ILE 34 HG11 ILE 34 -9.333 3.073 2.958 290 1HG2 ILE 34 HG21 ILE 34 -11.798 5.750 2.114 291 2HG2 ILE 34 HG22 ILE 34 -12.886 4.678 1.232 292 3HG2 ILE 34 HG23 ILE 34 -11.292 5.052 0.576 293 1HD1 ILE 34 HD11 ILE 34 -9.549 2.459 0.548 294 2HD1 ILE 34 HD12 ILE 34 -8.106 3.416 0.885 295 3HD1 ILE 34 HD13 ILE 34 -9.513 4.175 0.143 296 H MET 35 HN MET 35 -13.631 2.033 2.918 297 HA MET 35 HA MET 35 -15.785 3.908 2.716 298 1HB MET 35 HB2 MET 35 -15.776 0.894 3.008 299 2HB MET 35 HB1 MET 35 -17.243 1.836 2.743 300 1HG MET 35 HG2 MET 35 -16.285 2.759 0.669 301 2HG MET 35 HG1 MET 35 -14.815 1.824 0.927 302 1HE MET 35 HE1 MET 35 -15.562 -1.711 0.289 303 2HE MET 35 HE2 MET 35 -15.968 -1.176 1.917 304 3HE MET 35 HE3 MET 35 -14.582 -0.475 1.086 305 H ASP 36 HN ASP 36 -14.775 1.758 5.370 306 HA ASP 36 HA ASP 36 -17.027 2.332 7.059 307 1HB ASP 36 HB2 ASP 36 -14.202 1.428 7.685 308 2HB ASP 36 HB1 ASP 36 -15.470 1.566 8.906 309 H ARG 37 HN ARG 37 -13.835 3.857 6.691 310 HA ARG 37 HA ARG 37 -14.184 5.710 8.871 311 1HB ARG 37 HB2 ARG 37 -11.967 5.176 7.963 312 2HB ARG 37 HB1 ARG 37 -12.416 5.893 6.416 313 1HG ARG 37 HG2 ARG 37 -12.557 8.079 7.350 314 2HG ARG 37 HG1 ARG 37 -12.527 7.457 9.000 315 1HD ARG 37 HD2 ARG 37 -10.329 8.435 8.195 316 2HD ARG 37 HD1 ARG 37 -10.230 6.781 8.793 317 HE ARG 37 HE ARG 37 -10.666 6.495 6.064 318 1HH1 ARG 37 HH21 ARG 37 -8.439 8.176 8.091 319 2HH1 ARG 37 HH22 ARG 37 -7.125 8.057 6.970 320 1HH2 ARG 37 HH11 ARG 37 -8.953 6.318 4.594 321 2HH2 ARG 37 HH12 ARG 37 -7.413 7.002 4.996 322 H PHE 38 HN PHE 38 -14.429 6.185 5.328 323 HA PHE 38 HA PHE 38 -16.044 8.643 5.857 324 1HB PHE 38 HB2 PHE 38 -14.372 7.796 3.485 325 2HB PHE 38 HB1 PHE 38 -15.417 9.217 3.484 326 HD1 PHE 38 HD1 PHE 38 -15.130 10.836 5.534 327 HD2 PHE 38 HD2 PHE 38 -12.159 8.017 4.240 328 HE1 PHE 38 HE1 PHE 38 -13.383 12.134 6.719 329 HE2 PHE 38 HE2 PHE 38 -10.406 9.322 5.422 330 HZ PHE 38 HZ PHE 38 -11.027 11.378 6.666 331 HA PRO 39 HA PRO 39 -19.340 6.048 4.094 332 1HB PRO 39 HB2 PRO 39 -21.429 7.734 4.452 333 2HB PRO 39 HB1 PRO 39 -20.670 6.890 5.817 334 1HG PRO 39 HG2 PRO 39 -20.291 9.705 4.892 335 2HG PRO 39 HG1 PRO 39 -20.466 9.080 6.541 336 1HD PRO 39 HD2 PRO 39 -18.034 9.703 5.409 337 2HD PRO 39 HD1 PRO 39 -18.229 8.492 6.695 338 H PHE 40 HN PHE 40 -18.050 8.914 2.935 339 HA PHE 40 HA PHE 40 -19.775 9.661 0.802 340 1HB PHE 40 HB2 PHE 40 -18.000 11.132 1.404 341 2HB PHE 40 HB1 PHE 40 -16.792 9.862 1.253 342 HD1 PHE 40 HD1 PHE 40 -19.242 11.886 -0.720 343 HD2 PHE 40 HD2 PHE 40 -15.652 9.517 -0.785 344 HE1 PHE 40 HE1 PHE 40 -18.847 12.546 -3.079 345 HE2 PHE 40 HE2 PHE 40 -15.267 10.175 -3.147 346 HZ PHE 40 HZ PHE 40 -16.861 11.689 -4.290 347 H TYR 41 HN TYR 41 -17.080 7.344 0.919 348 HA TYR 41 HA TYR 41 -17.276 6.608 -1.854 349 1HB TYR 41 HB2 TYR 41 -16.030 5.186 0.503 350 2HB TYR 41 HB1 TYR 41 -15.809 4.718 -1.188 351 HD1 TYR 41 HD1 TYR 41 -14.650 6.206 -2.764 352 HD2 TYR 41 HD2 TYR 41 -15.037 7.208 1.377 353 HE1 TYR 41 HE1 TYR 41 -12.903 7.932 -3.038 354 HE2 TYR 41 HE2 TYR 41 -13.299 8.955 1.124 355 HH TYR 41 HH TYR 41 -11.292 9.154 -1.636 356 H ARG 42 HN ARG 42 -18.946 5.510 1.036 357 HA ARG 42 HA ARG 42 -19.832 2.983 0.051 358 1HB ARG 42 HB2 ARG 42 -21.161 4.936 1.953 359 2HB ARG 42 HB1 ARG 42 -21.796 3.327 1.615 360 1HG ARG 42 HG2 ARG 42 -19.535 2.403 2.299 361 2HG ARG 42 HG1 ARG 42 -19.128 4.023 2.863 362 1HD ARG 42 HD2 ARG 42 -19.962 2.831 4.772 363 2HD ARG 42 HD1 ARG 42 -21.245 3.935 4.275 364 HE ARG 42 HE ARG 42 -21.797 1.577 2.907 365 1HH1 ARG 42 HH21 ARG 42 -21.285 2.550 6.177 366 2HH1 ARG 42 HH22 ARG 42 -22.280 1.298 6.843 367 1HH2 ARG 42 HH11 ARG 42 -23.093 -0.065 3.761 368 2HH2 ARG 42 HH12 ARG 42 -23.305 -0.180 5.476 369 H GLU 43 HN GLU 43 -21.123 6.265 -0.377 370 HA GLU 43 HA GLU 43 -23.408 5.349 -1.923 371 1HB GLU 43 HB2 GLU 43 -22.159 8.076 -1.526 372 2HB GLU 43 HB1 GLU 43 -23.579 7.815 -2.539 373 1HG GLU 43 HG2 GLU 43 -24.790 6.864 -0.622 374 2HG GLU 43 HG1 GLU 43 -23.370 7.086 0.399 375 H ASN 44 HN ASN 44 -20.195 5.385 -2.574 376 HA ASN 44 HA ASN 44 -20.682 5.269 -5.507 377 1HB ASN 44 HB2 ASN 44 -19.870 7.596 -4.909 378 2HB ASN 44 HB1 ASN 44 -18.381 6.849 -4.325 379 1HD2 ASN 44 HD21 ASN 44 -20.284 7.519 -7.246 380 2HD2 ASN 44 HD22 ASN 44 -19.051 7.128 -8.344 381 H LYS 45 HN LYS 45 -20.226 3.056 -5.556 382 HA LYS 45 HA LYS 45 -17.697 2.106 -4.312 383 1HB LYS 45 HB2 LYS 45 -20.087 0.679 -5.491 384 2HB LYS 45 HB1 LYS 45 -18.631 -0.156 -4.943 385 1HG LYS 45 HG2 LYS 45 -18.918 0.653 -2.693 386 2HG LYS 45 HG1 LYS 45 -20.208 1.744 -3.191 387 1HD LYS 45 HD2 LYS 45 -21.298 -0.128 -2.187 388 2HD LYS 45 HD1 LYS 45 -21.506 -0.327 -3.925 389 1HE LYS 45 HE2 LYS 45 -19.780 -1.984 -4.033 390 2HE LYS 45 HE1 LYS 45 -19.244 -1.627 -2.390 391 1HZ LYS 45 HZ1 LYS 45 -20.550 -3.554 -2.242 392 2HZ LYS 45 HZ2 LYS 45 -21.766 -2.921 -3.244 393 3HZ LYS 45 HZ3 LYS 45 -21.544 -2.302 -1.677 394 H GLN 46 HN GLN 46 -19.216 2.504 -7.487 395 HA GLN 46 HA GLN 46 -16.958 1.150 -8.823 396 1HB GLN 46 HB2 GLN 46 -19.432 2.545 -9.867 397 2HB GLN 46 HB1 GLN 46 -18.193 1.854 -10.915 398 1HG GLN 46 HG2 GLN 46 -18.540 -0.355 -9.908 399 2HG GLN 46 HG1 GLN 46 -19.741 0.320 -8.806 400 1HE2 GLN 46 HE21 GLN 46 -20.170 -1.758 -10.920 401 2HE2 GLN 46 HE22 GLN 46 -21.350 -1.118 -11.959 402 H GLY 47 HN GLY 47 -15.376 2.179 -10.016 403 1HA GLY 47 HA2 GLY 47 -14.439 4.107 -11.169 404 2HA GLY 47 HA1 GLY 47 -15.393 5.163 -10.131 405 H TRP 48 HN TRP 48 -14.805 5.000 -7.727 406 HA TRP 48 HA TRP 48 -11.985 5.516 -7.468 407 1HB TRP 48 HB2 TRP 48 -12.453 6.147 -5.266 408 2HB TRP 48 HB1 TRP 48 -13.962 6.480 -6.107 409 HD1 TRP 48 HD1 TRP 48 -16.007 4.755 -5.689 410 HE1 TRP 48 HE1 TRP 48 -16.508 3.223 -3.685 411 HE3 TRP 48 HE3 TRP 48 -11.406 4.647 -3.474 412 HZ2 TRP 48 HZ2 TRP 48 -15.153 2.092 -1.441 413 HZ3 TRP 48 HZ3 TRP 48 -11.043 3.336 -1.407 414 HH2 TRP 48 HH2 TRP 48 -12.904 2.059 -0.388 415 H GLN 49 HN GLN 49 -14.020 2.749 -6.544 416 HA GLN 49 HA GLN 49 -12.084 1.353 -5.015 417 1HB GLN 49 HB2 GLN 49 -14.500 0.759 -5.170 418 2HB GLN 49 HB1 GLN 49 -14.216 0.152 -6.801 419 1HG GLN 49 HG2 GLN 49 -12.620 -1.494 -5.944 420 2HG GLN 49 HG1 GLN 49 -12.812 -0.857 -4.310 421 1HE2 GLN 49 HE21 GLN 49 -13.491 -3.607 -5.315 422 2HE2 GLN 49 HE22 GLN 49 -15.142 -3.816 -4.980 423 H ASN 50 HN ASN 50 -12.805 1.010 -8.515 424 HA ASN 50 HA ASN 50 -10.626 -0.862 -8.911 425 1HB ASN 50 HB2 ASN 50 -12.293 0.761 -10.845 426 2HB ASN 50 HB1 ASN 50 -11.059 -0.390 -11.357 427 1HD2 ASN 50 HD21 ASN 50 -11.357 -2.621 -9.939 428 2HD2 ASN 50 HD22 ASN 50 -12.946 -3.217 -9.963 429 H SER 51 HN SER 51 -10.958 2.638 -9.139 430 HA SER 51 HA SER 51 -8.621 3.189 -10.652 431 1HB SER 51 HB2 SER 51 -9.996 4.775 -8.470 432 2HB SER 51 HB1 SER 51 -8.663 5.408 -9.428 433 HG SER 51 HG SER 51 -10.359 4.344 -11.121 434 H ILE 52 HN ILE 52 -9.006 2.673 -7.132 435 HA ILE 52 HA ILE 52 -6.238 3.279 -6.563 436 HB ILE 52 HB ILE 52 -8.343 1.764 -5.026 437 1HG1 ILE 52 HG12 ILE 52 -7.158 4.538 -4.836 438 2HG1 ILE 52 HG11 ILE 52 -8.826 4.098 -5.204 439 1HG2 ILE 52 HG21 ILE 52 -6.114 0.906 -4.369 440 2HG2 ILE 52 HG22 ILE 52 -6.798 1.871 -3.077 441 3HG2 ILE 52 HG23 ILE 52 -5.555 2.558 -4.121 442 1HD1 ILE 52 HD11 ILE 52 -8.865 4.763 -2.933 443 2HD1 ILE 52 HD12 ILE 52 -7.383 3.882 -2.565 444 3HD1 ILE 52 HD13 ILE 52 -8.876 3.000 -2.885 445 H ARG 53 HN ARG 53 -8.007 0.206 -7.149 446 HA ARG 53 HA ARG 53 -5.765 -1.514 -6.710 447 1HB ARG 53 HB2 ARG 53 -8.040 -1.883 -8.695 448 2HB ARG 53 HB1 ARG 53 -6.944 -3.148 -8.145 449 1HG ARG 53 HG2 ARG 53 -7.748 -2.522 -5.759 450 2HG ARG 53 HG1 ARG 53 -9.073 -1.697 -6.585 451 1HD ARG 53 HD2 ARG 53 -9.454 -3.890 -7.846 452 2HD ARG 53 HD1 ARG 53 -8.391 -4.634 -6.642 453 HE ARG 53 HE ARG 53 -10.212 -3.351 -5.065 454 1HH1 ARG 53 HH21 ARG 53 -10.458 -5.388 -7.840 455 2HH1 ARG 53 HH22 ARG 53 -11.935 -6.131 -7.328 456 1HH2 ARG 53 HH11 ARG 53 -12.136 -4.322 -4.377 457 2HH2 ARG 53 HH12 ARG 53 -12.883 -5.532 -5.369 458 H HIS 54 HN HIS 54 -6.966 0.052 -9.682 459 HA HIS 54 HA HIS 54 -4.928 -0.931 -11.422 460 1HB HIS 54 HB2 HIS 54 -7.014 0.217 -12.182 461 2HB HIS 54 HB1 HIS 54 -6.373 1.736 -11.556 462 HD1 HIS 54 HD1 HIS 54 -5.143 -1.024 -13.900 463 HD2 HIS 54 HD2 HIS 54 -5.033 3.126 -13.520 464 HE1 HIS 54 HE1 HIS 54 -3.923 -0.152 -15.939 465 H ASN 55 HN ASN 55 -5.097 1.918 -9.318 466 HA ASN 55 HA ASN 55 -2.606 3.097 -10.117 467 1HB ASN 55 HB2 ASN 55 -4.110 3.208 -7.484 468 2HB ASN 55 HB1 ASN 55 -2.703 4.200 -7.858 469 1HD2 ASN 55 HD21 ASN 55 -5.249 5.385 -7.323 470 2HD2 ASN 55 HD22 ASN 55 -5.817 6.106 -8.750 471 H LEU 56 HN LEU 56 -3.473 0.702 -7.648 472 HA LEU 56 HA LEU 56 -0.937 0.515 -6.399 473 1HB LEU 56 HB2 LEU 56 -3.241 -1.390 -6.704 474 2HB LEU 56 HB1 LEU 56 -1.763 -1.914 -5.907 475 HG LEU 56 HG LEU 56 -3.283 0.590 -5.120 476 1HD1 LEU 56 HD11 LEU 56 -3.945 -0.919 -3.113 477 2HD1 LEU 56 HD12 LEU 56 -3.559 -2.265 -4.185 478 3HD1 LEU 56 HD13 LEU 56 -4.820 -1.115 -4.629 479 1HD2 LEU 56 HD21 LEU 56 -1.947 -0.131 -2.901 480 2HD2 LEU 56 HD22 LEU 56 -1.202 0.868 -4.139 481 3HD2 LEU 56 HD23 LEU 56 -0.866 -0.860 -4.082 482 H SER 57 HN SER 57 -2.237 -1.335 -9.179 483 HA SER 57 HA SER 57 0.091 -2.962 -9.517 484 1HB SER 57 HB2 SER 57 -1.966 -2.011 -11.531 485 2HB SER 57 HB1 SER 57 -0.729 -3.216 -11.881 486 HG SER 57 HG SER 57 -1.638 -4.250 -9.865 487 H LEU 58 HN LEU 58 -0.795 0.209 -10.869 488 HA LEU 58 HA LEU 58 1.601 0.468 -12.461 489 1HB LEU 58 HB2 LEU 58 -0.408 2.479 -11.430 490 2HB LEU 58 HB1 LEU 58 0.958 2.940 -12.441 491 HG LEU 58 HG LEU 58 -0.984 0.772 -13.268 492 1HD1 LEU 58 HD11 LEU 58 -2.406 2.658 -13.008 493 2HD1 LEU 58 HD12 LEU 58 -1.984 2.645 -14.721 494 3HD1 LEU 58 HD13 LEU 58 -1.180 3.767 -13.624 495 1HD2 LEU 58 HD21 LEU 58 1.120 2.448 -14.658 496 2HD2 LEU 58 HD22 LEU 58 -0.176 1.683 -15.571 497 3HD2 LEU 58 HD23 LEU 58 0.945 0.694 -14.645 498 H ASN 59 HN ASN 59 0.713 1.434 -9.170 499 HA ASN 59 HA ASN 59 3.084 3.003 -8.695 500 1HB ASN 59 HB2 ASN 59 1.158 1.604 -6.822 501 2HB ASN 59 HB1 ASN 59 2.478 2.631 -6.262 502 1HD2 ASN 59 HD21 ASN 59 2.456 4.798 -7.924 503 2HD2 ASN 59 HD22 ASN 59 0.948 5.577 -7.904 504 H GLU 60 HN GLU 60 5.105 2.208 -8.631 505 HA GLU 60 HA GLU 60 5.577 -0.659 -8.064 506 1HB GLU 60 HB2 GLU 60 7.416 1.602 -8.911 507 2HB GLU 60 HB1 GLU 60 7.938 -0.064 -8.671 508 1HG GLU 60 HG2 GLU 60 6.483 -0.849 -10.431 509 2HG GLU 60 HG1 GLU 60 5.734 0.742 -10.588 510 H CYS 61 HN CYS 61 5.459 2.286 -6.388 511 HA CYS 61 HA CYS 61 7.595 2.038 -4.531 512 1HB CYS 61 HB2 CYS 61 4.828 3.234 -4.211 513 2HB CYS 61 HB1 CYS 61 6.125 3.427 -3.032 514 HG CYS 61 HG CYS 61 7.246 5.079 -4.519 515 H PHE 62 HN PHE 62 4.316 0.676 -4.499 516 HA PHE 62 HA PHE 62 4.700 -0.583 -1.887 517 1HB PHE 62 HB2 PHE 62 2.579 -0.963 -4.026 518 2HB PHE 62 HB1 PHE 62 2.524 -1.685 -2.417 519 HD1 PHE 62 HD1 PHE 62 1.588 1.142 -4.345 520 HD2 PHE 62 HD2 PHE 62 2.866 -0.003 -0.406 521 HE1 PHE 62 HE1 PHE 62 0.637 3.240 -3.426 522 HE2 PHE 62 HE2 PHE 62 1.913 2.094 0.512 523 HZ PHE 62 HZ PHE 62 0.799 3.715 -0.999 524 H VAL 63 HN VAL 63 5.106 -2.796 -1.531 525 HA VAL 63 HA VAL 63 6.165 -4.313 -3.895 526 HB VAL 63 HB VAL 63 6.799 -4.624 -0.942 527 1HG1 VAL 63 HG11 VAL 63 8.637 -6.088 -1.848 528 2HG1 VAL 63 HG12 VAL 63 7.877 -5.971 -3.434 529 3HG1 VAL 63 HG13 VAL 63 7.018 -6.742 -2.100 530 1HG2 VAL 63 HG21 VAL 63 8.599 -3.615 -3.158 531 2HG2 VAL 63 HG22 VAL 63 8.892 -3.565 -1.419 532 3HG2 VAL 63 HG23 VAL 63 7.656 -2.531 -2.135 533 H LYS 64 HN LYS 64 4.963 -6.044 -4.492 534 HA LYS 64 HA LYS 64 2.626 -6.800 -2.931 535 1HB LYS 64 HB2 LYS 64 3.747 -8.322 -5.290 536 2HB LYS 64 HB1 LYS 64 2.080 -8.253 -4.734 537 1HG LYS 64 HG2 LYS 64 3.049 -5.558 -5.343 538 2HG LYS 64 HG1 LYS 64 3.295 -6.616 -6.723 539 1HD LYS 64 HD2 LYS 64 0.637 -6.533 -5.293 540 2HD LYS 64 HD1 LYS 64 1.053 -5.347 -6.527 541 1HE LYS 64 HE2 LYS 64 -0.214 -7.425 -7.322 542 2HE LYS 64 HE1 LYS 64 1.244 -6.997 -8.218 543 1HZ LYS 64 HZ1 LYS 64 1.192 -9.349 -7.725 544 2HZ LYS 64 HZ2 LYS 64 1.056 -9.029 -6.062 545 3HZ LYS 64 HZ3 LYS 64 2.474 -8.609 -6.897 546 H VAL 65 HN VAL 65 2.403 -8.543 -1.577 547 HA VAL 65 HA VAL 65 4.597 -10.564 -1.477 548 HB VAL 65 HB VAL 65 4.081 -10.494 1.124 549 1HG1 VAL 65 HG11 VAL 65 5.880 -8.762 1.378 550 2HG1 VAL 65 HG12 VAL 65 5.752 -8.437 -0.350 551 3HG1 VAL 65 HG13 VAL 65 6.281 -10.023 0.211 552 1HG2 VAL 65 HG21 VAL 65 2.246 -8.813 0.829 553 2HG2 VAL 65 HG22 VAL 65 3.447 -7.650 0.276 554 3HG2 VAL 65 HG23 VAL 65 3.512 -8.270 1.927 555 HA PRO 66 HA PRO 66 0.929 -13.156 -1.494 556 1HB PRO 66 HB2 PRO 66 2.056 -15.589 -1.214 557 2HB PRO 66 HB1 PRO 66 2.339 -14.611 -2.669 558 1HG PRO 66 HG2 PRO 66 4.078 -14.933 -0.254 559 2HG PRO 66 HG1 PRO 66 4.521 -15.024 -1.969 560 1HD PRO 66 HD2 PRO 66 4.883 -12.756 -0.471 561 2HD PRO 66 HD1 PRO 66 4.563 -12.719 -2.221 562 H ARG 67 HN ARG 67 0.753 -15.576 0.008 563 HA ARG 67 HA ARG 67 0.982 -14.757 2.862 564 1HB ARG 67 HB2 ARG 67 -1.347 -15.475 3.260 565 2HB ARG 67 HB1 ARG 67 -1.293 -14.146 2.100 566 1HG ARG 67 HG2 ARG 67 -1.382 -15.806 0.250 567 2HG ARG 67 HG1 ARG 67 -1.565 -17.093 1.436 568 1HD ARG 67 HD2 ARG 67 -3.627 -16.066 2.270 569 2HD ARG 67 HD1 ARG 67 -3.458 -14.741 1.122 570 HE ARG 67 HE ARG 67 -4.592 -17.347 0.617 571 1HH1 ARG 67 HH21 ARG 67 -2.595 -14.936 -0.839 572 2HH1 ARG 67 HH22 ARG 67 -2.736 -15.607 -2.430 573 1HH2 ARG 67 HH11 ARG 67 -4.775 -18.222 -1.441 574 2HH2 ARG 67 HH12 ARG 67 -3.965 -17.462 -2.769 575 H ASP 68 HN ASP 68 0.452 -16.746 4.277 576 HA ASP 68 HA ASP 68 2.096 -18.938 3.499 577 1HB ASP 68 HB2 ASP 68 -0.060 -18.697 5.611 578 2HB ASP 68 HB1 ASP 68 0.950 -20.130 5.429 579 H ASP 69 HN ASP 69 1.567 -20.989 2.675 580 HA ASP 69 HA ASP 69 -0.683 -21.091 0.872 581 1HB ASP 69 HB2 ASP 69 1.283 -23.193 1.815 582 2HB ASP 69 HB1 ASP 69 0.053 -23.502 0.589 583 H LYS 70 HN LYS 70 -0.277 -21.948 4.198 584 HA LYS 70 HA LYS 70 -2.368 -23.938 4.328 585 1HB LYS 70 HB2 LYS 70 -1.059 -22.201 6.428 586 2HB LYS 70 HB1 LYS 70 -2.314 -23.380 6.813 587 1HG LYS 70 HG2 LYS 70 -0.939 -25.171 5.816 588 2HG LYS 70 HG1 LYS 70 0.318 -23.993 5.433 589 1HD LYS 70 HD2 LYS 70 0.571 -23.475 7.832 590 2HD LYS 70 HD1 LYS 70 -0.691 -24.644 8.221 591 1HE LYS 70 HE2 LYS 70 1.747 -25.469 6.647 592 2HE LYS 70 HE1 LYS 70 1.777 -25.421 8.409 593 1HZ LYS 70 HZ1 LYS 70 -0.469 -26.730 8.072 594 2HZ LYS 70 HZ2 LYS 70 1.031 -27.525 8.111 595 3HZ LYS 70 HZ3 LYS 70 0.286 -27.186 6.622 596 H LYS 71 HN LYS 71 -2.489 -20.593 3.819 597 HA LYS 71 HA LYS 71 -5.373 -20.541 4.659 598 1HB LYS 71 HB2 LYS 71 -3.435 -18.221 4.832 599 2HB LYS 71 HB1 LYS 71 -5.114 -18.245 5.375 600 1HG LYS 71 HG2 LYS 71 -4.351 -20.259 6.859 601 2HG LYS 71 HG1 LYS 71 -2.724 -19.650 6.557 602 1HD LYS 71 HD2 LYS 71 -5.019 -18.097 7.788 603 2HD LYS 71 HD1 LYS 71 -3.589 -18.691 8.633 604 1HE LYS 71 HE2 LYS 71 -2.215 -17.312 6.967 605 2HE LYS 71 HE1 LYS 71 -3.736 -16.540 6.516 606 1HZ LYS 71 HZ1 LYS 71 -3.391 -16.678 9.347 607 2HZ LYS 71 HZ2 LYS 71 -3.731 -15.335 8.364 608 3HZ LYS 71 HZ3 LYS 71 -2.123 -15.833 8.602 609 HA PRO 72 HA PRO 72 -5.006 -19.190 0.250 610 1HB PRO 72 HB2 PRO 72 -6.393 -21.157 -0.935 611 2HB PRO 72 HB1 PRO 72 -4.721 -21.426 -0.398 612 1HG PRO 72 HG2 PRO 72 -7.278 -22.248 0.907 613 2HG PRO 72 HG1 PRO 72 -5.767 -23.157 0.730 614 1HD PRO 72 HD2 PRO 72 -6.513 -21.750 3.029 615 2HD PRO 72 HD1 PRO 72 -4.846 -22.216 2.628 616 H GLY 73 HN GLY 73 -7.033 -18.917 -1.343 617 1HA GLY 73 HA2 GLY 73 -9.284 -18.256 -1.664 618 2HA GLY 73 HA1 GLY 73 -9.629 -18.744 -0.006 619 H LYS 74 HN LYS 74 -6.902 -16.732 -0.242 620 HA LYS 74 HA LYS 74 -8.525 -14.317 0.506 621 1HB LYS 74 HB2 LYS 74 -5.875 -15.290 1.615 622 2HB LYS 74 HB1 LYS 74 -6.566 -13.703 1.955 623 1HG LYS 74 HG2 LYS 74 -8.583 -14.776 2.898 624 2HG LYS 74 HG1 LYS 74 -7.886 -16.362 2.559 625 1HD LYS 74 HD2 LYS 74 -5.990 -15.861 4.046 626 2HD LYS 74 HD1 LYS 74 -6.662 -14.267 4.380 627 1HE LYS 74 HE2 LYS 74 -7.126 -16.352 6.005 628 2HE LYS 74 HE1 LYS 74 -8.342 -15.107 5.734 629 1HZ LYS 74 HZ1 LYS 74 -9.263 -17.321 5.481 630 2HZ LYS 74 HZ2 LYS 74 -8.140 -17.674 4.256 631 3HZ LYS 74 HZ3 LYS 74 -9.321 -16.478 4.010 632 H GLY 75 HN GLY 75 -7.515 -12.264 -0.083 633 1HA GLY 75 HA2 GLY 75 -6.304 -12.368 -2.716 634 2HA GLY 75 HA1 GLY 75 -6.627 -10.905 -1.788 635 H SER 76 HN SER 76 -4.359 -10.634 -2.969 636 HA SER 76 HA SER 76 -2.103 -11.876 -1.589 637 1HB SER 76 HB2 SER 76 -2.137 -11.099 -4.029 638 2HB SER 76 HB1 SER 76 -2.010 -9.458 -3.403 639 HG SER 76 HG SER 76 -0.104 -10.147 -2.303 640 H TYR 77 HN TYR 77 -0.763 -10.908 -0.065 641 HA TYR 77 HA TYR 77 -1.932 -8.730 1.513 642 1HB TYR 77 HB2 TYR 77 0.689 -10.237 1.773 643 2HB TYR 77 HB1 TYR 77 0.088 -9.072 2.942 644 HD1 TYR 77 HD1 TYR 77 0.654 -11.331 4.241 645 HD2 TYR 77 HD2 TYR 77 -2.803 -10.784 1.726 646 HE1 TYR 77 HE1 TYR 77 -0.514 -13.164 5.424 647 HE2 TYR 77 HE2 TYR 77 -3.952 -12.600 2.922 648 HH TYR 77 HH TYR 77 -2.594 -14.851 4.610 649 H TRP 78 HN TRP 78 -0.700 -6.766 2.046 650 HA TRP 78 HA TRP 78 1.254 -5.924 -0.069 651 1HB TRP 78 HB2 TRP 78 -1.144 -4.387 0.976 652 2HB TRP 78 HB1 TRP 78 0.140 -3.666 0.004 653 HD1 TRP 78 HD1 TRP 78 -2.402 -6.570 -0.216 654 HE1 TRP 78 HE1 TRP 78 -3.061 -6.878 -2.688 655 HE3 TRP 78 HE3 TRP 78 0.654 -3.100 -2.377 656 HZ2 TRP 78 HZ2 TRP 78 -2.381 -5.791 -5.250 657 HZ3 TRP 78 HZ3 TRP 78 0.623 -2.752 -4.829 658 HH2 TRP 78 HH2 TRP 78 -0.891 -4.088 -6.265 659 H THR 79 HN THR 79 2.808 -4.347 0.670 660 HA THR 79 HA THR 79 2.738 -3.567 3.524 661 HB THR 79 HB THR 79 3.849 -5.836 3.377 662 HG1 THR 79 HG1 THR 79 5.903 -4.785 4.364 663 1HG2 THR 79 HG21 THR 79 4.946 -5.250 1.133 664 2HG2 THR 79 HG22 THR 79 5.966 -6.069 2.318 665 3HG2 THR 79 HG23 THR 79 6.119 -4.328 2.074 666 H LEU 80 HN LEU 80 4.717 -2.145 4.025 667 HA LEU 80 HA LEU 80 4.938 -0.136 1.920 668 1HB LEU 80 HB2 LEU 80 6.179 -0.346 4.672 669 2HB LEU 80 HB1 LEU 80 6.456 1.015 3.591 670 HG LEU 80 HG LEU 80 3.720 0.114 4.536 671 1HD1 LEU 80 HD11 LEU 80 5.341 2.507 5.444 672 2HD1 LEU 80 HD12 LEU 80 5.237 0.996 6.348 673 3HD1 LEU 80 HD13 LEU 80 3.789 1.968 6.086 674 1HD2 LEU 80 HD21 LEU 80 3.304 1.324 2.579 675 2HD2 LEU 80 HD22 LEU 80 4.731 2.341 2.775 676 3HD2 LEU 80 HD23 LEU 80 3.303 2.619 3.768 677 H ASP 81 HN ASP 81 7.015 0.715 1.202 678 HA ASP 81 HA ASP 81 8.733 -1.323 0.147 679 1HB ASP 81 HB2 ASP 81 10.151 0.788 -0.434 680 2HB ASP 81 HB1 ASP 81 8.539 0.665 -1.130 681 HA PRO 82 HA PRO 82 11.779 -1.829 3.347 682 1HB PRO 82 HB2 PRO 82 13.990 -0.922 1.539 683 2HB PRO 82 HB1 PRO 82 13.810 -2.455 2.419 684 1HG PRO 82 HG2 PRO 82 13.442 -2.370 -0.192 685 2HG PRO 82 HG1 PRO 82 12.357 -3.334 0.831 686 1HD PRO 82 HD2 PRO 82 11.893 -0.612 -0.363 687 2HD PRO 82 HD1 PRO 82 10.791 -2.010 -0.302 688 H ASP 83 HN ASP 83 14.390 -0.162 3.162 689 HA ASP 83 HA ASP 83 13.509 1.986 4.896 690 1HB ASP 83 HB2 ASP 83 15.855 2.681 4.877 691 2HB ASP 83 HB1 ASP 83 15.769 0.928 5.052 692 H SER 84 HN SER 84 13.207 1.544 1.662 693 HA SER 84 HA SER 84 13.895 4.223 0.727 694 1HB SER 84 HB2 SER 84 12.285 2.041 -0.620 695 2HB SER 84 HB1 SER 84 12.948 3.472 -1.404 696 HG SER 84 HG SER 84 14.940 2.669 -1.214 697 H TYR 85 HN TYR 85 12.019 4.212 2.934 698 HA TYR 85 HA TYR 85 9.313 4.450 2.088 699 1HB TYR 85 HB2 TYR 85 9.092 5.903 4.182 700 2HB TYR 85 HB1 TYR 85 9.689 4.263 4.417 701 HD1 TYR 85 HD1 TYR 85 12.159 3.870 4.684 702 HD2 TYR 85 HD2 TYR 85 10.440 7.803 4.701 703 HE1 TYR 85 HE1 TYR 85 14.220 4.763 5.733 704 HE2 TYR 85 HE2 TYR 85 12.503 8.699 5.750 705 HH TYR 85 HH TYR 85 14.660 8.237 6.249 706 H ASN 86 HN ASN 86 11.730 7.058 2.583 707 HA ASN 86 HA ASN 86 10.198 8.703 0.603 708 1HB ASN 86 HB2 ASN 86 10.427 10.663 1.999 709 2HB ASN 86 HB1 ASN 86 9.627 9.396 2.928 710 1HD2 ASN 86 HD21 ASN 86 10.632 11.027 4.686 711 2HD2 ASN 86 HD22 ASN 86 12.165 10.583 5.266 712 H MET 87 HN MET 87 12.818 7.150 0.734 713 HA MET 87 HA MET 87 15.084 8.763 0.770 714 1HB MET 87 HB2 MET 87 15.916 7.257 -1.162 715 2HB MET 87 HB1 MET 87 15.462 6.471 0.347 716 1HG MET 87 HG2 MET 87 14.498 5.223 -1.494 717 2HG MET 87 HG1 MET 87 13.191 6.024 -0.630 718 1HE MET 87 HE1 MET 87 11.341 6.544 -2.036 719 2HE MET 87 HE2 MET 87 11.989 5.223 -3.004 720 3HE MET 87 HE3 MET 87 11.422 6.690 -3.796 721 H PHE 88 HN PHE 88 16.325 9.473 -1.318 722 HA PHE 88 HA PHE 88 14.556 11.328 -2.793 723 1HB PHE 88 HB2 PHE 88 17.578 11.026 -2.737 724 2HB PHE 88 HB1 PHE 88 16.710 12.258 -3.651 725 HD1 PHE 88 HD1 PHE 88 17.896 11.215 -0.367 726 HD2 PHE 88 HD2 PHE 88 15.372 13.997 -2.451 727 HE1 PHE 88 HE1 PHE 88 17.829 12.662 1.645 728 HE2 PHE 88 HE2 PHE 88 15.302 15.443 -0.437 729 HZ PHE 88 HZ PHE 88 16.532 14.776 1.611 730 H GLU 89 HN GLU 89 13.572 10.226 -4.431 731 HA GLU 89 HA GLU 89 14.537 7.976 -5.811 732 1HB GLU 89 HB2 GLU 89 13.021 8.806 -7.714 733 2HB GLU 89 HB1 GLU 89 12.258 8.531 -6.150 734 1HG GLU 89 HG2 GLU 89 12.448 10.944 -5.637 735 2HG GLU 89 HG1 GLU 89 13.196 11.215 -7.212 736 H ASN 90 HN ASN 90 16.109 7.685 -7.296 737 HA ASN 90 HA ASN 90 17.006 9.910 -9.013 738 1HB ASN 90 HB2 ASN 90 19.272 9.903 -8.278 739 2HB ASN 90 HB1 ASN 90 18.307 9.978 -6.805 740 1HD2 ASN 90 HD21 ASN 90 20.982 8.956 -6.774 741 2HD2 ASN 90 HD22 ASN 90 20.918 7.295 -6.427 742 H GLY 91 HN GLY 91 19.347 8.642 -9.972 743 1HA GLY 91 HA2 GLY 91 18.302 6.825 -11.868 744 2HA GLY 91 HA1 GLY 91 20.013 6.946 -11.457 745 H SER 92 HN SER 92 20.133 6.097 -8.874 746 HA SER 92 HA SER 92 18.564 3.665 -8.476 747 1HB SER 92 HB2 SER 92 20.238 2.050 -8.814 748 2HB SER 92 HB1 SER 92 20.487 3.146 -10.171 749 HG SER 92 HG SER 92 22.253 3.937 -9.225 750 H PHE 93 HN PHE 93 18.185 3.856 -6.328 751 HA PHE 93 HA PHE 93 20.479 4.563 -4.524 752 1HB PHE 93 HB2 PHE 93 18.689 6.369 -4.773 753 2HB PHE 93 HB1 PHE 93 17.579 5.245 -3.987 754 HD1 PHE 93 HD1 PHE 93 17.529 5.084 -1.630 755 HD2 PHE 93 HD2 PHE 93 20.928 6.854 -3.572 756 HE1 PHE 93 HE1 PHE 93 18.466 5.712 0.579 757 HE2 PHE 93 HE2 PHE 93 21.861 7.487 -1.363 758 HZ PHE 93 HZ PHE 93 20.630 6.913 0.712 759 H LEU 94 HN LEU 94 18.712 2.091 -5.519 760 HA LEU 94 HA LEU 94 17.576 0.940 -3.171 761 1HB LEU 94 HB2 LEU 94 17.102 0.121 -5.449 762 2HB LEU 94 HB1 LEU 94 18.770 -0.419 -5.608 763 HG LEU 94 HG LEU 94 18.447 -1.985 -3.727 764 1HD1 LEU 94 HD11 LEU 94 15.902 -2.333 -3.133 765 2HD1 LEU 94 HD12 LEU 94 15.745 -0.654 -3.649 766 3HD1 LEU 94 HD13 LEU 94 16.819 -1.072 -2.314 767 1HD2 LEU 94 HD21 LEU 94 16.401 -2.133 -5.961 768 2HD2 LEU 94 HD22 LEU 94 16.790 -3.483 -4.895 769 3HD2 LEU 94 HD23 LEU 94 18.026 -2.819 -5.964 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -23.276 17.709 -2.459 2 2H MET 1 HT2 MET 1 -22.193 18.789 -1.719 3 3H MET 1 HT3 MET 1 -23.868 19.017 -1.555 4 HA MET 1 HA MET 1 -23.609 17.982 0.403 5 1HB MET 1 HB2 MET 1 -23.305 15.613 -1.472 6 2HB MET 1 HB1 MET 1 -23.850 15.541 0.207 7 1HG MET 1 HG2 MET 1 -25.235 17.182 -1.924 8 2HG MET 1 HG1 MET 1 -25.717 15.540 -1.510 9 1HE MET 1 HE1 MET 1 -25.756 15.554 2.042 10 2HE MET 1 HE2 MET 1 -26.194 14.701 0.566 11 3HE MET 1 HE3 MET 1 -27.446 15.471 1.534 12 H LEU 2 HN LEU 2 -22.069 15.331 0.568 13 HA LEU 2 HA LEU 2 -19.559 16.525 1.446 14 1HB LEU 2 HB2 LEU 2 -20.224 13.581 1.163 15 2HB LEU 2 HB1 LEU 2 -18.969 14.292 2.175 16 HG LEU 2 HG LEU 2 -21.963 14.645 2.497 17 1HD1 LEU 2 HD11 LEU 2 -21.382 13.584 4.759 18 2HD1 LEU 2 HD12 LEU 2 -19.830 13.160 4.039 19 3HD1 LEU 2 HD13 LEU 2 -21.324 12.521 3.354 20 1HD2 LEU 2 HD21 LEU 2 -21.093 16.719 3.186 21 2HD2 LEU 2 HD22 LEU 2 -19.603 16.003 3.800 22 3HD2 LEU 2 HD23 LEU 2 -21.112 15.798 4.688 23 H VAL 3 HN VAL 3 -17.475 16.082 0.572 24 HA VAL 3 HA VAL 3 -17.470 15.153 -2.287 25 HB VAL 3 HB VAL 3 -15.488 16.706 -2.529 26 1HG1 VAL 3 HG11 VAL 3 -18.190 17.845 -1.762 27 2HG1 VAL 3 HG12 VAL 3 -17.638 17.414 -3.380 28 3HG1 VAL 3 HG13 VAL 3 -16.918 18.787 -2.540 29 1HG2 VAL 3 HG21 VAL 3 -16.503 17.870 0.077 30 2HG2 VAL 3 HG22 VAL 3 -15.084 18.372 -0.842 31 3HG2 VAL 3 HG23 VAL 3 -15.095 16.814 -0.018 32 H LYS 4 HN LYS 4 -15.590 13.952 -2.940 33 HA LYS 4 HA LYS 4 -14.654 12.027 -1.147 34 1HB LYS 4 HB2 LYS 4 -12.655 11.857 -2.808 35 2HB LYS 4 HB1 LYS 4 -14.279 11.538 -3.412 36 1HG LYS 4 HG2 LYS 4 -14.438 13.835 -4.266 37 2HG LYS 4 HG1 LYS 4 -12.840 14.200 -3.617 38 1HD LYS 4 HD2 LYS 4 -11.855 12.461 -5.070 39 2HD LYS 4 HD1 LYS 4 -13.455 12.110 -5.726 40 1HE LYS 4 HE2 LYS 4 -13.627 14.275 -6.726 41 2HE LYS 4 HE1 LYS 4 -12.230 14.873 -5.832 42 1HZ LYS 4 HZ1 LYS 4 -11.446 12.594 -7.247 43 2HZ LYS 4 HZ2 LYS 4 -10.938 14.199 -7.475 44 3HZ LYS 4 HZ3 LYS 4 -12.281 13.602 -8.327 45 HA PRO 5 HA PRO 5 -12.042 14.385 1.688 46 1HB PRO 5 HB2 PRO 5 -10.395 11.873 1.473 47 2HB PRO 5 HB1 PRO 5 -10.824 12.811 2.922 48 1HG PRO 5 HG2 PRO 5 -12.118 10.578 2.331 49 2HG PRO 5 HG1 PRO 5 -12.980 11.986 2.977 50 1HD PRO 5 HD2 PRO 5 -13.006 10.885 0.207 51 2HD PRO 5 HD1 PRO 5 -14.252 11.816 1.071 52 HA PRO 6 HA PRO 6 -8.818 15.919 -0.982 53 1HB PRO 6 HB2 PRO 6 -7.154 17.148 0.764 54 2HB PRO 6 HB1 PRO 6 -8.804 17.737 0.471 55 1HG PRO 6 HG2 PRO 6 -7.781 16.039 2.712 56 2HG PRO 6 HG1 PRO 6 -8.855 17.449 2.776 57 1HD PRO 6 HD2 PRO 6 -9.792 14.878 2.863 58 2HD PRO 6 HD1 PRO 6 -10.729 16.220 2.168 59 H TYR 7 HN TYR 7 -8.111 13.429 1.264 60 HA TYR 7 HA TYR 7 -5.263 13.249 0.900 61 1HB TYR 7 HB2 TYR 7 -7.218 11.003 1.479 62 2HB TYR 7 HB1 TYR 7 -5.486 10.993 1.803 63 HD1 TYR 7 HD1 TYR 7 -8.720 11.848 3.073 64 HD2 TYR 7 HD2 TYR 7 -4.553 12.817 3.393 65 HE1 TYR 7 HE1 TYR 7 -9.153 12.942 5.249 66 HE2 TYR 7 HE2 TYR 7 -4.977 13.904 5.582 67 HH TYR 7 HH TYR 7 -8.278 14.162 6.899 68 H SER 8 HN SER 8 -4.085 12.081 -0.652 69 HA SER 8 HA SER 8 -5.348 11.708 -3.228 70 1HB SER 8 HB2 SER 8 -2.985 12.280 -3.130 71 2HB SER 8 HB1 SER 8 -2.638 10.851 -2.159 72 HG SER 8 HG SER 8 -3.911 10.015 -4.295 73 H TYR 9 HN TYR 9 -5.457 9.572 -4.362 74 HA TYR 9 HA TYR 9 -6.811 7.616 -2.797 75 1HB TYR 9 HB2 TYR 9 -5.474 7.452 -5.509 76 2HB TYR 9 HB1 TYR 9 -6.355 6.097 -4.805 77 HD1 TYR 9 HD1 TYR 9 -6.628 9.453 -6.262 78 HD2 TYR 9 HD2 TYR 9 -8.786 6.231 -4.421 79 HE1 TYR 9 HE1 TYR 9 -8.768 10.457 -7.014 80 HE2 TYR 9 HE2 TYR 9 -10.928 7.234 -5.171 81 HH TYR 9 HH TYR 9 -11.165 10.399 -6.331 82 H ILE 10 HN ILE 10 -3.430 7.875 -3.836 83 HA ILE 10 HA ILE 10 -2.571 5.340 -2.770 84 HB ILE 10 HB ILE 10 -1.042 7.919 -3.253 85 1HG1 ILE 10 HG12 ILE 10 -1.139 5.384 -4.913 86 2HG1 ILE 10 HG11 ILE 10 -2.162 6.785 -5.232 87 1HG2 ILE 10 HG21 ILE 10 0.257 6.621 -1.732 88 2HG2 ILE 10 HG22 ILE 10 0.926 6.282 -3.328 89 3HG2 ILE 10 HG23 ILE 10 -0.147 5.116 -2.555 90 1HD1 ILE 10 HD11 ILE 10 0.851 6.983 -5.041 91 2HD1 ILE 10 HD12 ILE 10 -0.273 8.180 -5.681 92 3HD1 ILE 10 HD13 ILE 10 0.015 6.680 -6.564 93 H ALA 11 HN ALA 11 -2.734 8.624 -1.426 94 HA ALA 11 HA ALA 11 -1.391 8.109 1.029 95 1HB ALA 11 HB1 ALA 11 -3.662 10.042 0.440 96 2HB ALA 11 HB2 ALA 11 -1.939 10.388 0.296 97 3HB ALA 11 HB3 ALA 11 -2.647 10.086 1.882 98 H LEU 12 HN LEU 12 -4.852 7.815 0.196 99 HA LEU 12 HA LEU 12 -5.738 7.086 2.805 100 1HB LEU 12 HB2 LEU 12 -6.790 6.342 0.062 101 2HB LEU 12 HB1 LEU 12 -7.629 5.945 1.558 102 HG LEU 12 HG LEU 12 -6.831 8.766 0.781 103 1HD1 LEU 12 HD11 LEU 12 -8.443 7.804 -0.835 104 2HD1 LEU 12 HD12 LEU 12 -9.182 9.078 0.136 105 3HD1 LEU 12 HD13 LEU 12 -9.518 7.386 0.499 106 1HD2 LEU 12 HD21 LEU 12 -8.823 9.151 2.482 107 2HD2 LEU 12 HD22 LEU 12 -7.207 8.827 3.090 108 3HD2 LEU 12 HD23 LEU 12 -8.404 7.533 3.040 109 H ILE 13 HN ILE 13 -4.424 5.145 0.136 110 HA ILE 13 HA ILE 13 -4.790 2.599 1.444 111 HB ILE 13 HB ILE 13 -2.811 3.489 -0.681 112 1HG1 ILE 13 HG12 ILE 13 -5.334 1.833 -0.954 113 2HG1 ILE 13 HG11 ILE 13 -5.295 3.574 -1.215 114 1HG2 ILE 13 HG21 ILE 13 -3.498 0.753 0.422 115 2HG2 ILE 13 HG22 ILE 13 -1.909 1.516 0.348 116 3HG2 ILE 13 HG23 ILE 13 -2.701 0.987 -1.135 117 1HD1 ILE 13 HD11 ILE 13 -4.370 3.339 -3.266 118 2HD1 ILE 13 HD12 ILE 13 -4.782 1.632 -3.141 119 3HD1 ILE 13 HD13 ILE 13 -3.170 2.179 -2.696 120 H THR 14 HN THR 14 -2.109 4.930 1.297 121 HA THR 14 HA THR 14 -0.199 3.396 2.736 122 HB THR 14 HB THR 14 -0.534 6.407 2.692 123 HG1 THR 14 HG1 THR 14 1.438 5.431 1.180 124 1HG2 THR 14 HG21 THR 14 1.942 6.337 3.140 125 2HG2 THR 14 HG22 THR 14 1.790 4.600 3.409 126 3HG2 THR 14 HG23 THR 14 0.962 5.734 4.477 127 H MET 15 HN MET 15 -2.745 5.598 3.867 128 HA MET 15 HA MET 15 -1.996 5.523 6.641 129 1HB MET 15 HB2 MET 15 -4.650 6.059 5.273 130 2HB MET 15 HB1 MET 15 -4.402 6.228 7.010 131 1HG MET 15 HG2 MET 15 -2.619 7.881 6.602 132 2HG MET 15 HG1 MET 15 -2.862 7.714 4.863 133 1HE MET 15 HE1 MET 15 -2.764 10.292 6.193 134 2HE MET 15 HE2 MET 15 -4.220 11.238 5.888 135 3HE MET 15 HE3 MET 15 -3.416 10.415 4.554 136 H ALA 16 HN ALA 16 -4.175 3.573 4.654 137 HA ALA 16 HA ALA 16 -5.325 2.006 6.725 138 1HB ALA 16 HB1 ALA 16 -4.691 1.081 3.915 139 2HB ALA 16 HB2 ALA 16 -6.046 2.135 4.307 140 3HB ALA 16 HB3 ALA 16 -5.984 0.499 4.966 141 H ILE 17 HN ILE 17 -2.438 1.351 4.709 142 HA ILE 17 HA ILE 17 -1.797 -1.175 5.856 143 HB ILE 17 HB ILE 17 0.113 0.947 4.815 144 1HG1 ILE 17 HG12 ILE 17 -1.121 -1.395 3.342 145 2HG1 ILE 17 HG11 ILE 17 -1.772 0.242 3.275 146 1HG2 ILE 17 HG21 ILE 17 1.519 -1.081 4.308 147 2HG2 ILE 17 HG22 ILE 17 0.360 -2.049 5.217 148 3HG2 ILE 17 HG23 ILE 17 1.293 -0.795 6.032 149 1HD1 ILE 17 HD11 ILE 17 0.433 1.060 2.458 150 2HD1 ILE 17 HD12 ILE 17 -0.284 -0.121 1.363 151 3HD1 ILE 17 HD13 ILE 17 1.022 -0.604 2.446 152 H GLN 18 HN GLN 18 -0.632 2.080 6.662 153 HA GLN 18 HA GLN 18 0.971 1.287 8.903 154 1HB GLN 18 HB2 GLN 18 -0.342 3.916 8.171 155 2HB GLN 18 HB1 GLN 18 0.756 3.734 9.539 156 1HG GLN 18 HG2 GLN 18 2.568 3.078 8.096 157 2HG GLN 18 HG1 GLN 18 1.488 2.960 6.705 158 1HE2 GLN 18 HE21 GLN 18 3.870 4.753 7.018 159 2HE2 GLN 18 HE22 GLN 18 3.280 6.334 6.833 160 H ASN 19 HN ASN 19 -2.405 2.389 8.664 161 HA ASN 19 HA ASN 19 -2.862 2.432 11.516 162 1HB ASN 19 HB2 ASN 19 -4.740 2.291 9.146 163 2HB ASN 19 HB1 ASN 19 -5.298 2.420 10.814 164 1HD2 ASN 19 HD21 ASN 19 -2.581 4.123 11.119 165 2HD2 ASN 19 HD22 ASN 19 -3.099 5.664 10.634 166 H ALA 20 HN ALA 20 -2.780 -0.116 9.170 167 HA ALA 20 HA ALA 20 -4.474 -1.932 10.692 168 1HB ALA 20 HB1 ALA 20 -2.470 -2.720 8.574 169 2HB ALA 20 HB2 ALA 20 -4.026 -1.994 8.171 170 3HB ALA 20 HB3 ALA 20 -3.968 -3.539 9.019 171 HA PRO 21 HA PRO 21 -1.232 -2.829 13.776 172 1HB PRO 21 HB2 PRO 21 -2.760 -5.424 13.775 173 2HB PRO 21 HB1 PRO 21 -2.152 -4.481 15.152 174 1HG PRO 21 HG2 PRO 21 -4.720 -4.395 14.466 175 2HG PRO 21 HG1 PRO 21 -3.874 -2.947 15.035 176 1HD PRO 21 HD2 PRO 21 -4.779 -3.624 12.277 177 2HD PRO 21 HD1 PRO 21 -4.522 -2.029 13.019 178 H GLU 22 HN GLU 22 -2.180 -4.851 11.083 179 HA GLU 22 HA GLU 22 0.590 -6.002 10.922 180 1HB GLU 22 HB2 GLU 22 -1.318 -7.644 11.236 181 2HB GLU 22 HB1 GLU 22 -1.958 -7.098 9.686 182 1HG GLU 22 HG2 GLU 22 0.145 -7.758 8.580 183 2HG GLU 22 HG1 GLU 22 0.787 -8.311 10.127 184 H LYS 23 HN LYS 23 1.747 -5.281 9.162 185 HA LYS 23 HA LYS 23 0.571 -3.339 7.387 186 1HB LYS 23 HB2 LYS 23 3.222 -4.792 7.298 187 2HB LYS 23 HB1 LYS 23 2.764 -3.534 6.149 188 1HG LYS 23 HG2 LYS 23 2.429 -1.950 8.013 189 2HG LYS 23 HG1 LYS 23 2.894 -3.205 9.162 190 1HD LYS 23 HD2 LYS 23 5.113 -3.366 8.086 191 2HD LYS 23 HD1 LYS 23 4.642 -2.105 6.946 192 1HE LYS 23 HE2 LYS 23 5.787 -0.859 8.552 193 2HE LYS 23 HE1 LYS 23 4.129 -0.720 9.135 194 1HZ LYS 23 HZ1 LYS 23 4.539 -2.047 10.892 195 2HZ LYS 23 HZ2 LYS 23 6.141 -1.534 10.652 196 3HZ LYS 23 HZ3 LYS 23 5.629 -3.038 10.048 197 H LYS 24 HN LYS 24 1.002 -6.814 7.186 198 HA LYS 24 HA LYS 24 0.525 -6.885 4.302 199 1HB LYS 24 HB2 LYS 24 0.605 -9.018 6.440 200 2HB LYS 24 HB1 LYS 24 0.189 -9.382 4.768 201 1HG LYS 24 HG2 LYS 24 2.341 -8.407 4.028 202 2HG LYS 24 HG1 LYS 24 2.755 -8.066 5.709 203 1HD LYS 24 HD2 LYS 24 2.636 -10.474 6.233 204 2HD LYS 24 HD1 LYS 24 2.224 -10.819 4.550 205 1HE LYS 24 HE2 LYS 24 4.394 -9.643 3.910 206 2HE LYS 24 HE1 LYS 24 4.813 -9.677 5.623 207 1HZ LYS 24 HZ1 LYS 24 5.620 -11.592 4.196 208 2HZ LYS 24 HZ2 LYS 24 4.006 -12.120 4.165 209 3HZ LYS 24 HZ3 LYS 24 4.834 -11.997 5.644 210 H ILE 25 HN ILE 25 -1.423 -5.479 4.510 211 HA ILE 25 HA ILE 25 -3.854 -6.768 5.584 212 HB ILE 25 HB ILE 25 -3.458 -4.315 5.848 213 1HG1 ILE 25 HG12 ILE 25 -5.826 -4.848 4.039 214 2HG1 ILE 25 HG11 ILE 25 -5.767 -5.387 5.716 215 1HG2 ILE 25 HG21 ILE 25 -2.327 -4.057 3.614 216 2HG2 ILE 25 HG22 ILE 25 -3.568 -2.846 3.934 217 3HG2 ILE 25 HG23 ILE 25 -3.911 -4.196 2.854 218 1HD1 ILE 25 HD11 ILE 25 -5.429 -2.512 4.812 219 2HD1 ILE 25 HD12 ILE 25 -5.461 -3.082 6.480 220 3HD1 ILE 25 HD13 ILE 25 -6.912 -3.190 5.483 221 H THR 26 HN THR 26 -5.587 -7.449 4.238 222 HA THR 26 HA THR 26 -4.753 -8.377 1.595 223 HB THR 26 HB THR 26 -6.958 -9.439 1.513 224 HG1 THR 26 HG1 THR 26 -7.463 -7.506 3.411 225 1HG2 THR 26 HG21 THR 26 -6.900 -10.531 3.892 226 2HG2 THR 26 HG22 THR 26 -5.421 -9.599 4.099 227 3HG2 THR 26 HG23 THR 26 -5.542 -10.786 2.801 228 H LEU 27 HN LEU 27 -5.987 -7.911 -0.367 229 HA LEU 27 HA LEU 27 -6.242 -5.135 -0.876 230 1HB LEU 27 HB2 LEU 27 -5.863 -6.969 -2.576 231 2HB LEU 27 HB1 LEU 27 -7.567 -7.385 -2.418 232 HG LEU 27 HG LEU 27 -8.177 -5.075 -3.119 233 1HD1 LEU 27 HD11 LEU 27 -5.201 -4.766 -2.990 234 2HD1 LEU 27 HD12 LEU 27 -6.473 -3.605 -2.622 235 3HD1 LEU 27 HD13 LEU 27 -6.038 -3.931 -4.291 236 1HD2 LEU 27 HD21 LEU 27 -7.306 -5.321 -5.500 237 2HD2 LEU 27 HD22 LEU 27 -8.127 -6.739 -4.846 238 3HD2 LEU 27 HD23 LEU 27 -6.366 -6.698 -4.926 239 H ASN 28 HN ASN 28 -8.773 -7.601 -0.450 240 HA ASN 28 HA ASN 28 -11.009 -5.860 -0.664 241 1HB ASN 28 HB2 ASN 28 -10.638 -8.458 0.843 242 2HB ASN 28 HB1 ASN 28 -12.194 -7.644 0.687 243 1HD2 ASN 28 HD21 ASN 28 -11.429 -10.283 -0.472 244 2HD2 ASN 28 HD22 ASN 28 -11.616 -10.127 -2.151 245 H GLY 29 HN GLY 29 -9.038 -6.784 2.135 246 1HA GLY 29 HA2 GLY 29 -10.615 -5.555 4.149 247 2HA GLY 29 HA1 GLY 29 -8.878 -5.829 4.268 248 H ILE 30 HN ILE 30 -8.097 -4.174 2.042 249 HA ILE 30 HA ILE 30 -7.882 -1.664 3.356 250 HB ILE 30 HB ILE 30 -7.529 -2.410 0.439 251 1HG1 ILE 30 HG12 ILE 30 -5.493 -1.761 2.588 252 2HG1 ILE 30 HG11 ILE 30 -6.012 -3.403 2.210 253 1HG2 ILE 30 HG21 ILE 30 -7.954 -0.047 0.448 254 2HG2 ILE 30 HG22 ILE 30 -6.201 -0.230 0.386 255 3HG2 ILE 30 HG23 ILE 30 -6.990 0.183 1.908 256 1HD1 ILE 30 HD11 ILE 30 -4.942 -1.548 0.078 257 2HD1 ILE 30 HD12 ILE 30 -5.111 -3.301 0.015 258 3HD1 ILE 30 HD13 ILE 30 -3.879 -2.571 1.042 259 H TYR 31 HN TYR 31 -10.111 -2.710 0.759 260 HA TYR 31 HA TYR 31 -11.358 -0.182 0.358 261 1HB TYR 31 HB2 TYR 31 -12.308 -3.028 0.021 262 2HB TYR 31 HB1 TYR 31 -13.377 -1.671 -0.317 263 HD1 TYR 31 HD1 TYR 31 -10.781 -3.760 -1.620 264 HD2 TYR 31 HD2 TYR 31 -12.473 0.175 -1.901 265 HE1 TYR 31 HE1 TYR 31 -9.719 -3.464 -3.840 266 HE2 TYR 31 HE2 TYR 31 -11.410 0.469 -4.117 267 HH TYR 31 HH TYR 31 -10.605 -1.333 -6.022 268 H GLN 32 HN GLN 32 -12.220 -2.821 2.593 269 HA GLN 32 HA GLN 32 -14.562 -1.633 3.664 270 1HB GLN 32 HB2 GLN 32 -12.541 -3.543 4.845 271 2HB GLN 32 HB1 GLN 32 -14.033 -3.096 5.676 272 1HG GLN 32 HG2 GLN 32 -14.019 -4.177 2.852 273 2HG GLN 32 HG1 GLN 32 -14.123 -5.232 4.262 274 1HE2 GLN 32 HE21 GLN 32 -15.815 -3.877 5.971 275 2HE2 GLN 32 HE22 GLN 32 -17.330 -3.633 5.244 276 H PHE 33 HN PHE 33 -11.159 -1.283 4.630 277 HA PHE 33 HA PHE 33 -11.601 0.213 7.006 278 1HB PHE 33 HB2 PHE 33 -9.403 -0.732 6.301 279 2HB PHE 33 HB1 PHE 33 -9.315 0.482 5.027 280 HD1 PHE 33 HD1 PHE 33 -8.942 2.847 5.554 281 HD2 PHE 33 HD2 PHE 33 -9.143 -0.126 8.648 282 HE1 PHE 33 HE1 PHE 33 -7.962 4.458 7.168 283 HE2 PHE 33 HE2 PHE 33 -8.167 1.484 10.260 284 HZ PHE 33 HZ PHE 33 -7.577 3.776 9.521 285 H ILE 34 HN ILE 34 -11.131 1.324 3.642 286 HA ILE 34 HA ILE 34 -11.356 4.118 4.226 287 HB ILE 34 HB ILE 34 -11.876 2.543 1.695 288 1HG1 ILE 34 HG12 ILE 34 -9.530 4.314 2.416 289 2HG1 ILE 34 HG11 ILE 34 -9.551 2.583 2.764 290 1HG2 ILE 34 HG21 ILE 34 -13.034 4.561 1.326 291 2HG2 ILE 34 HG22 ILE 34 -11.436 4.885 0.657 292 3HG2 ILE 34 HG23 ILE 34 -11.868 5.510 2.249 293 1HD1 ILE 34 HD11 ILE 34 -8.483 3.303 0.535 294 2HD1 ILE 34 HD12 ILE 34 -10.126 3.651 -0.002 295 3HD1 ILE 34 HD13 ILE 34 -9.681 2.010 0.465 296 H MET 35 HN MET 35 -13.829 1.829 2.959 297 HA MET 35 HA MET 35 -15.916 3.748 2.814 298 1HB MET 35 HB2 MET 35 -16.009 0.753 3.194 299 2HB MET 35 HB1 MET 35 -17.451 1.739 2.951 300 1HG MET 35 HG2 MET 35 -16.493 2.591 0.828 301 2HG MET 35 HG1 MET 35 -15.085 1.561 1.066 302 1HE MET 35 HE1 MET 35 -16.118 -1.931 0.526 303 2HE MET 35 HE2 MET 35 -16.368 -1.309 2.154 304 3HE MET 35 HE3 MET 35 -14.992 -0.752 1.206 305 H ASP 36 HN ASP 36 -14.941 1.656 5.532 306 HA ASP 36 HA ASP 36 -17.149 2.361 7.226 307 1HB ASP 36 HB2 ASP 36 -14.366 1.347 7.852 308 2HB ASP 36 HB1 ASP 36 -15.614 1.573 9.079 309 H ARG 37 HN ARG 37 -13.908 3.773 6.828 310 HA ARG 37 HA ARG 37 -14.285 5.665 8.997 311 1HB ARG 37 HB2 ARG 37 -12.058 4.848 8.276 312 2HB ARG 37 HB1 ARG 37 -12.266 5.688 6.739 313 1HG ARG 37 HG2 ARG 37 -12.451 7.836 7.933 314 2HG ARG 37 HG1 ARG 37 -12.254 7.001 9.470 315 1HD ARG 37 HD2 ARG 37 -10.222 6.825 7.240 316 2HD ARG 37 HD1 ARG 37 -10.139 8.064 8.485 317 HE ARG 37 HE ARG 37 -9.324 5.298 8.705 318 1HH1 ARG 37 HH21 ARG 37 -10.864 7.821 10.490 319 2HH1 ARG 37 HH22 ARG 37 -10.627 7.047 12.020 320 1HH2 ARG 37 HH11 ARG 37 -9.009 4.292 10.682 321 2HH2 ARG 37 HH12 ARG 37 -9.580 5.054 12.129 322 H PHE 38 HN PHE 38 -13.778 6.378 5.501 323 HA PHE 38 HA PHE 38 -15.144 8.945 5.882 324 1HB PHE 38 HB2 PHE 38 -13.861 7.648 3.475 325 2HB PHE 38 HB1 PHE 38 -14.612 9.241 3.434 326 HD1 PHE 38 HD1 PHE 38 -13.745 11.041 5.012 327 HD2 PHE 38 HD2 PHE 38 -11.677 7.336 4.342 328 HE1 PHE 38 HE1 PHE 38 -11.662 12.038 5.919 329 HE2 PHE 38 HE2 PHE 38 -9.596 8.333 5.248 330 HZ PHE 38 HZ PHE 38 -9.588 10.685 6.036 331 HA PRO 39 HA PRO 39 -19.021 7.064 4.507 332 1HB PRO 39 HB2 PRO 39 -20.648 9.210 4.650 333 2HB PRO 39 HB1 PRO 39 -19.978 8.459 6.114 334 1HG PRO 39 HG2 PRO 39 -19.048 10.899 4.656 335 2HG PRO 39 HG1 PRO 39 -19.262 10.649 6.398 336 1HD PRO 39 HD2 PRO 39 -16.818 10.455 5.145 337 2HD PRO 39 HD1 PRO 39 -17.230 9.565 6.629 338 H PHE 40 HN PHE 40 -17.346 9.545 2.787 339 HA PHE 40 HA PHE 40 -19.178 10.095 0.685 340 1HB PHE 40 HB2 PHE 40 -17.088 11.357 0.982 341 2HB PHE 40 HB1 PHE 40 -16.151 9.919 0.571 342 HD1 PHE 40 HD1 PHE 40 -18.625 12.366 -0.731 343 HD2 PHE 40 HD2 PHE 40 -15.820 9.253 -1.715 344 HE1 PHE 40 HE1 PHE 40 -18.851 12.919 -3.138 345 HE2 PHE 40 HE2 PHE 40 -16.057 9.808 -4.118 346 HZ PHE 40 HZ PHE 40 -17.569 11.639 -4.830 347 H TYR 41 HN TYR 41 -16.732 7.533 0.974 348 HA TYR 41 HA TYR 41 -17.273 6.419 -1.617 349 1HB TYR 41 HB2 TYR 41 -15.987 5.152 0.810 350 2HB TYR 41 HB1 TYR 41 -15.875 4.560 -0.849 351 HD1 TYR 41 HD1 TYR 41 -15.220 6.468 -2.636 352 HD2 TYR 41 HD2 TYR 41 -14.257 6.537 1.543 353 HE1 TYR 41 HE1 TYR 41 -13.434 8.115 -3.079 354 HE2 TYR 41 HE2 TYR 41 -12.450 8.178 1.104 355 HH TYR 41 HH TYR 41 -12.218 10.031 -1.352 356 H ARG 42 HN ARG 42 -18.716 5.895 1.543 357 HA ARG 42 HA ARG 42 -19.947 3.388 1.010 358 1HB ARG 42 HB2 ARG 42 -20.821 5.701 2.754 359 2HB ARG 42 HB1 ARG 42 -21.656 4.147 2.720 360 1HG ARG 42 HG2 ARG 42 -19.560 3.005 3.351 361 2HG ARG 42 HG1 ARG 42 -18.727 4.558 3.391 362 1HD ARG 42 HD2 ARG 42 -19.341 4.014 5.659 363 2HD ARG 42 HD1 ARG 42 -20.407 5.312 5.124 364 HE ARG 42 HE ARG 42 -21.840 3.039 4.514 365 1HH1 ARG 42 HH21 ARG 42 -20.190 4.252 7.286 366 2HH1 ARG 42 HH22 ARG 42 -21.281 3.526 8.420 367 1HH2 ARG 42 HH11 ARG 42 -23.281 2.089 5.978 368 2HH2 ARG 42 HH12 ARG 42 -23.030 2.301 7.679 369 H GLU 43 HN GLU 43 -21.034 6.696 0.254 370 HA GLU 43 HA GLU 43 -23.473 5.611 -1.032 371 1HB GLU 43 HB2 GLU 43 -24.194 7.898 -1.209 372 2HB GLU 43 HB1 GLU 43 -23.522 7.681 0.406 373 1HG GLU 43 HG2 GLU 43 -21.317 8.541 -0.531 374 2HG GLU 43 HG1 GLU 43 -22.214 9.007 -1.977 375 H ASN 44 HN ASN 44 -20.367 5.992 -1.913 376 HA ASN 44 HA ASN 44 -21.061 6.485 -4.796 377 1HB ASN 44 HB2 ASN 44 -19.711 8.325 -3.686 378 2HB ASN 44 HB1 ASN 44 -18.414 7.148 -3.487 379 1HD2 ASN 44 HD21 ASN 44 -17.105 8.520 -4.992 380 2HD2 ASN 44 HD22 ASN 44 -17.371 8.409 -6.664 381 H LYS 45 HN LYS 45 -20.547 4.827 -6.116 382 HA LYS 45 HA LYS 45 -18.523 2.800 -5.228 383 1HB LYS 45 HB2 LYS 45 -21.157 2.348 -6.645 384 2HB LYS 45 HB1 LYS 45 -19.984 1.096 -6.256 385 1HG LYS 45 HG2 LYS 45 -21.250 2.867 -4.152 386 2HG LYS 45 HG1 LYS 45 -21.942 1.319 -4.632 387 1HD LYS 45 HD2 LYS 45 -19.640 0.307 -4.094 388 2HD LYS 45 HD1 LYS 45 -19.278 1.839 -3.298 389 1HE LYS 45 HE2 LYS 45 -20.156 0.205 -1.681 390 2HE LYS 45 HE1 LYS 45 -21.259 1.570 -1.859 391 1HZ LYS 45 HZ1 LYS 45 -22.307 -0.691 -1.914 392 2HZ LYS 45 HZ2 LYS 45 -21.541 -0.940 -3.409 393 3HZ LYS 45 HZ3 LYS 45 -22.678 0.310 -3.232 394 H GLN 46 HN GLN 46 -18.719 5.195 -7.231 395 HA GLN 46 HA GLN 46 -18.544 4.007 -9.836 396 1HB GLN 46 HB2 GLN 46 -17.781 6.186 -10.607 397 2HB GLN 46 HB1 GLN 46 -19.134 6.375 -9.491 398 1HG GLN 46 HG2 GLN 46 -17.549 6.792 -7.653 399 2HG GLN 46 HG1 GLN 46 -16.206 6.649 -8.783 400 1HE2 GLN 46 HE21 GLN 46 -15.520 8.592 -9.691 401 2HE2 GLN 46 HE22 GLN 46 -16.466 9.995 -9.819 402 H GLY 47 HN GLY 47 -16.280 5.246 -10.916 403 1HA GLY 47 HA2 GLY 47 -14.366 3.237 -10.844 404 2HA GLY 47 HA1 GLY 47 -14.010 4.892 -11.317 405 H TRP 48 HN TRP 48 -14.974 5.385 -8.243 406 HA TRP 48 HA TRP 48 -12.303 5.750 -7.299 407 1HB TRP 48 HB2 TRP 48 -13.228 6.466 -5.280 408 2HB TRP 48 HB1 TRP 48 -14.579 6.718 -6.375 409 HD1 TRP 48 HD1 TRP 48 -16.755 5.434 -5.907 410 HE1 TRP 48 HE1 TRP 48 -17.499 3.725 -4.127 411 HE3 TRP 48 HE3 TRP 48 -12.245 4.362 -3.756 412 HZ2 TRP 48 HZ2 TRP 48 -16.344 2.115 -2.059 413 HZ3 TRP 48 HZ3 TRP 48 -12.106 2.741 -1.882 414 HH2 TRP 48 HH2 TRP 48 -14.135 1.610 -1.046 415 H GLN 49 HN GLN 49 -14.565 3.088 -7.069 416 HA GLN 49 HA GLN 49 -13.168 1.459 -5.210 417 1HB GLN 49 HB2 GLN 49 -15.010 0.804 -7.517 418 2HB GLN 49 HB1 GLN 49 -14.411 -0.418 -6.392 419 1HG GLN 49 HG2 GLN 49 -15.390 0.839 -4.508 420 2HG GLN 49 HG1 GLN 49 -15.990 2.057 -5.634 421 1HE2 GLN 49 HE21 GLN 49 -17.101 -0.514 -3.913 422 2HE2 GLN 49 HE22 GLN 49 -18.301 -1.086 -4.969 423 H ASN 50 HN ASN 50 -12.918 1.604 -8.780 424 HA ASN 50 HA ASN 50 -10.885 -0.488 -8.838 425 1HB ASN 50 HB2 ASN 50 -11.924 1.418 -10.944 426 2HB ASN 50 HB1 ASN 50 -10.718 0.173 -11.267 427 1HD2 ASN 50 HD21 ASN 50 -11.909 -1.825 -9.440 428 2HD2 ASN 50 HD22 ASN 50 -13.347 -2.349 -10.172 429 H SER 51 HN SER 51 -10.828 3.022 -8.694 430 HA SER 51 HA SER 51 -8.148 3.332 -9.693 431 1HB SER 51 HB2 SER 51 -8.282 5.586 -8.869 432 2HB SER 51 HB1 SER 51 -9.880 5.159 -9.476 433 HG SER 51 HG SER 51 -9.058 5.759 -6.943 434 H ILE 52 HN ILE 52 -9.397 2.379 -6.583 435 HA ILE 52 HA ILE 52 -7.088 3.103 -5.023 436 HB ILE 52 HB ILE 52 -9.201 0.990 -4.585 437 1HG1 ILE 52 HG12 ILE 52 -9.780 3.542 -4.752 438 2HG1 ILE 52 HG11 ILE 52 -10.443 2.593 -3.434 439 1HG2 ILE 52 HG21 ILE 52 -8.483 1.258 -2.155 440 2HG2 ILE 52 HG22 ILE 52 -7.042 2.063 -2.772 441 3HG2 ILE 52 HG23 ILE 52 -7.367 0.383 -3.204 442 1HD1 ILE 52 HD11 ILE 52 -7.910 4.247 -3.206 443 2HD1 ILE 52 HD12 ILE 52 -8.774 3.447 -1.895 444 3HD1 ILE 52 HD13 ILE 52 -9.506 4.813 -2.725 445 H ARG 53 HN ARG 53 -8.138 -0.180 -6.035 446 HA ARG 53 HA ARG 53 -5.594 -1.330 -5.347 447 1HB ARG 53 HB2 ARG 53 -6.453 -3.358 -6.472 448 2HB ARG 53 HB1 ARG 53 -7.627 -2.663 -5.350 449 1HG ARG 53 HG2 ARG 53 -8.669 -1.481 -7.323 450 2HG ARG 53 HG1 ARG 53 -7.601 -2.413 -8.366 451 1HD ARG 53 HD2 ARG 53 -9.159 -4.009 -6.377 452 2HD ARG 53 HD1 ARG 53 -10.088 -3.264 -7.679 453 HE ARG 53 HE ARG 53 -7.978 -4.442 -9.011 454 1HH1 ARG 53 HH21 ARG 53 -10.308 -5.439 -6.672 455 2HH1 ARG 53 HH22 ARG 53 -10.383 -7.072 -7.245 456 1HH2 ARG 53 HH11 ARG 53 -8.067 -6.572 -9.777 457 2HH2 ARG 53 HH12 ARG 53 -9.114 -7.713 -9.000 458 H HIS 54 HN HIS 54 -6.861 0.007 -8.348 459 HA HIS 54 HA HIS 54 -4.955 -1.136 -10.126 460 1HB HIS 54 HB2 HIS 54 -6.959 0.150 -10.865 461 2HB HIS 54 HB1 HIS 54 -6.190 1.631 -10.291 462 HD1 HIS 54 HD1 HIS 54 -5.280 -1.274 -12.598 463 HD2 HIS 54 HD2 HIS 54 -4.697 2.842 -12.277 464 HE1 HIS 54 HE1 HIS 54 -3.993 -0.572 -14.661 465 H ASN 55 HN ASN 55 -4.775 1.685 -8.007 466 HA ASN 55 HA ASN 55 -2.273 2.680 -9.021 467 1HB ASN 55 HB2 ASN 55 -3.716 3.085 -6.395 468 2HB ASN 55 HB1 ASN 55 -2.225 3.927 -6.820 469 1HD2 ASN 55 HD21 ASN 55 -4.740 5.298 -6.410 470 2HD2 ASN 55 HD22 ASN 55 -5.201 5.985 -7.892 471 H LEU 56 HN LEU 56 -3.020 0.050 -6.891 472 HA LEU 56 HA LEU 56 -0.684 0.025 -5.278 473 1HB LEU 56 HB2 LEU 56 -2.342 -2.257 -6.365 474 2HB LEU 56 HB1 LEU 56 -1.076 -2.464 -5.158 475 HG LEU 56 HG LEU 56 -3.446 -0.604 -4.822 476 1HD1 LEU 56 HD11 LEU 56 -3.037 -3.296 -3.503 477 2HD1 LEU 56 HD12 LEU 56 -3.985 -3.096 -4.976 478 3HD1 LEU 56 HD13 LEU 56 -4.488 -2.292 -3.489 479 1HD2 LEU 56 HD21 LEU 56 -1.841 0.178 -3.309 480 2HD2 LEU 56 HD22 LEU 56 -1.121 -1.416 -3.086 481 3HD2 LEU 56 HD23 LEU 56 -2.660 -1.029 -2.325 482 H SER 57 HN SER 57 -1.236 -1.457 -8.486 483 HA SER 57 HA SER 57 1.418 -2.578 -8.622 484 1HB SER 57 HB2 SER 57 0.916 -3.074 -10.924 485 2HB SER 57 HB1 SER 57 -0.557 -3.338 -9.994 486 HG SER 57 HG SER 57 -1.429 -1.565 -10.848 487 H LEU 58 HN LEU 58 -0.002 0.465 -9.790 488 HA LEU 58 HA LEU 58 2.238 1.345 -11.296 489 1HB LEU 58 HB2 LEU 58 0.151 2.927 -9.783 490 2HB LEU 58 HB1 LEU 58 1.340 3.660 -10.860 491 HG LEU 58 HG LEU 58 -0.581 1.472 -11.694 492 1HD1 LEU 58 HD11 LEU 58 -1.871 3.451 -11.148 493 2HD1 LEU 58 HD12 LEU 58 -1.766 3.335 -12.901 494 3HD1 LEU 58 HD13 LEU 58 -0.747 4.480 -12.030 495 1HD2 LEU 58 HD21 LEU 58 1.538 3.077 -13.096 496 2HD2 LEU 58 HD22 LEU 58 0.094 2.627 -14.001 497 3HD2 LEU 58 HD23 LEU 58 1.105 1.379 -13.287 498 H ASN 59 HN ASN 59 1.515 1.689 -7.828 499 HA ASN 59 HA ASN 59 3.741 3.394 -7.228 500 1HB ASN 59 HB2 ASN 59 2.303 1.369 -5.485 501 2HB ASN 59 HB1 ASN 59 3.401 2.615 -4.890 502 1HD2 ASN 59 HD21 ASN 59 0.203 2.063 -5.006 503 2HD2 ASN 59 HD22 ASN 59 -0.385 3.632 -5.276 504 H GLU 60 HN GLU 60 5.847 2.889 -7.453 505 HA GLU 60 HA GLU 60 6.713 0.109 -7.765 506 1HB GLU 60 HB2 GLU 60 8.202 2.748 -7.769 507 2HB GLU 60 HB1 GLU 60 8.975 1.186 -8.049 508 1HG GLU 60 HG2 GLU 60 7.567 0.780 -9.991 509 2HG GLU 60 HG1 GLU 60 6.650 2.254 -9.678 510 H CYS 61 HN CYS 61 7.058 2.666 -5.327 511 HA CYS 61 HA CYS 61 8.945 1.281 -3.675 512 1HB CYS 61 HB2 CYS 61 6.881 3.403 -3.034 513 2HB CYS 61 HB1 CYS 61 8.060 2.812 -1.862 514 HG CYS 61 HG CYS 61 8.755 4.468 -4.405 515 H PHE 62 HN PHE 62 5.684 0.621 -4.342 516 HA PHE 62 HA PHE 62 5.022 -0.545 -1.741 517 1HB PHE 62 HB2 PHE 62 3.707 -0.361 -4.438 518 2HB PHE 62 HB1 PHE 62 3.125 -1.585 -3.312 519 HD1 PHE 62 HD1 PHE 62 1.055 -0.770 -2.555 520 HD2 PHE 62 HD2 PHE 62 4.452 1.856 -2.598 521 HE1 PHE 62 HE1 PHE 62 -0.256 0.948 -1.342 522 HE2 PHE 62 HE2 PHE 62 3.142 3.572 -1.387 523 HZ PHE 62 HZ PHE 62 0.788 3.120 -0.757 524 H VAL 63 HN VAL 63 5.455 -2.614 -1.106 525 HA VAL 63 HA VAL 63 6.846 -4.404 -3.039 526 HB VAL 63 HB VAL 63 6.544 -4.539 -0.024 527 1HG1 VAL 63 HG11 VAL 63 6.719 -6.791 -0.779 528 2HG1 VAL 63 HG12 VAL 63 8.363 -6.330 -0.333 529 3HG1 VAL 63 HG13 VAL 63 7.886 -6.361 -2.031 530 1HG2 VAL 63 HG21 VAL 63 8.053 -2.770 -0.688 531 2HG2 VAL 63 HG22 VAL 63 8.836 -3.816 -1.874 532 3HG2 VAL 63 HG23 VAL 63 9.037 -4.130 -0.150 533 H LYS 64 HN LYS 64 5.796 -6.114 -3.895 534 HA LYS 64 HA LYS 64 3.098 -6.816 -2.818 535 1HB LYS 64 HB2 LYS 64 3.341 -6.111 -5.210 536 2HB LYS 64 HB1 LYS 64 4.360 -7.523 -5.479 537 1HG LYS 64 HG2 LYS 64 2.527 -9.007 -4.825 538 2HG LYS 64 HG1 LYS 64 1.503 -7.614 -4.469 539 1HD LYS 64 HD2 LYS 64 1.615 -6.899 -6.811 540 2HD LYS 64 HD1 LYS 64 2.694 -8.243 -7.188 541 1HE LYS 64 HE2 LYS 64 -0.118 -8.554 -6.098 542 2HE LYS 64 HE1 LYS 64 0.318 -8.710 -7.801 543 1HZ LYS 64 HZ1 LYS 64 2.023 -10.273 -6.146 544 2HZ LYS 64 HZ2 LYS 64 1.059 -10.758 -7.459 545 3HZ LYS 64 HZ3 LYS 64 0.398 -10.688 -5.895 546 H VAL 65 HN VAL 65 3.034 -8.575 -1.552 547 HA VAL 65 HA VAL 65 4.991 -10.796 -2.012 548 HB VAL 65 HB VAL 65 4.039 -11.335 0.466 549 1HG1 VAL 65 HG11 VAL 65 5.994 -9.949 1.339 550 2HG1 VAL 65 HG12 VAL 65 6.242 -9.422 -0.325 551 3HG1 VAL 65 HG13 VAL 65 6.380 -11.131 0.089 552 1HG2 VAL 65 HG21 VAL 65 3.420 -9.438 1.699 553 2HG2 VAL 65 HG22 VAL 65 2.612 -9.149 0.159 554 3HG2 VAL 65 HG23 VAL 65 4.122 -8.321 0.528 555 HA PRO 66 HA PRO 66 1.057 -12.716 -3.218 556 1HB PRO 66 HB2 PRO 66 2.021 -15.074 -4.187 557 2HB PRO 66 HB1 PRO 66 2.143 -13.549 -5.085 558 1HG PRO 66 HG2 PRO 66 4.217 -14.962 -3.477 559 2HG PRO 66 HG1 PRO 66 4.377 -14.106 -5.020 560 1HD PRO 66 HD2 PRO 66 5.085 -13.016 -2.583 561 2HD PRO 66 HD1 PRO 66 4.620 -12.044 -3.996 562 H ARG 67 HN ARG 67 -0.293 -14.425 -2.424 563 HA ARG 67 HA ARG 67 0.305 -15.235 0.296 564 1HB ARG 67 HB2 ARG 67 -2.002 -14.713 -0.533 565 2HB ARG 67 HB1 ARG 67 -1.939 -16.180 -1.510 566 1HG ARG 67 HG2 ARG 67 -1.714 -17.564 0.456 567 2HG ARG 67 HG1 ARG 67 -1.534 -16.147 1.491 568 1HD ARG 67 HD2 ARG 67 -3.819 -15.433 0.944 569 2HD ARG 67 HD1 ARG 67 -4.006 -16.819 -0.131 570 HE ARG 67 HE ARG 67 -3.328 -17.969 2.289 571 1HH1 ARG 67 HH21 ARG 67 -5.657 -15.672 1.201 572 2HH1 ARG 67 HH22 ARG 67 -6.855 -16.137 2.362 573 1HH2 ARG 67 HH11 ARG 67 -4.878 -18.590 3.813 574 2HH2 ARG 67 HH12 ARG 67 -6.414 -17.790 3.842 575 H ASP 68 HN ASP 68 0.407 -17.494 1.027 576 HA ASP 68 HA ASP 68 2.243 -19.070 -0.469 577 1HB ASP 68 HB2 ASP 68 0.371 -19.792 1.797 578 2HB ASP 68 HB1 ASP 68 1.553 -20.920 1.132 579 H ASP 69 HN ASP 69 1.949 -20.757 -1.903 580 HA ASP 69 HA ASP 69 -0.558 -20.896 -3.331 581 1HB ASP 69 HB2 ASP 69 1.940 -22.608 -3.403 582 2HB ASP 69 HB1 ASP 69 0.570 -22.845 -4.491 583 H LYS 70 HN LYS 70 0.719 -22.507 -0.560 584 HA LYS 70 HA LYS 70 -0.656 -24.996 -0.679 585 1HB LYS 70 HB2 LYS 70 0.072 -23.258 1.700 586 2HB LYS 70 HB1 LYS 70 -0.486 -24.922 1.830 587 1HG LYS 70 HG2 LYS 70 1.895 -24.221 0.116 588 2HG LYS 70 HG1 LYS 70 2.074 -24.476 1.849 589 1HD LYS 70 HD2 LYS 70 0.986 -26.721 1.574 590 2HD LYS 70 HD1 LYS 70 1.005 -26.471 -0.171 591 1HE LYS 70 HE2 LYS 70 3.410 -26.344 -0.206 592 2HE LYS 70 HE1 LYS 70 3.485 -26.338 1.557 593 1HZ LYS 70 HZ1 LYS 70 2.971 -28.551 -0.277 594 2HZ LYS 70 HZ2 LYS 70 2.147 -28.566 1.210 595 3HZ LYS 70 HZ3 LYS 70 3.845 -28.528 1.176 596 H LYS 71 HN LYS 71 -1.697 -21.811 0.520 597 HA LYS 71 HA LYS 71 -4.517 -22.794 0.502 598 1HB LYS 71 HB2 LYS 71 -3.757 -22.682 2.817 599 2HB LYS 71 HB1 LYS 71 -3.157 -21.040 2.567 600 1HG LYS 71 HG2 LYS 71 -5.303 -20.133 2.415 601 2HG LYS 71 HG1 LYS 71 -6.039 -21.672 1.975 602 1HD LYS 71 HD2 LYS 71 -5.597 -22.515 4.270 603 2HD LYS 71 HD1 LYS 71 -4.936 -20.938 4.703 604 1HE LYS 71 HE2 LYS 71 -7.126 -19.901 4.082 605 2HE LYS 71 HE1 LYS 71 -7.772 -21.517 3.799 606 1HZ LYS 71 HZ1 LYS 71 -6.543 -21.548 6.289 607 2HZ LYS 71 HZ2 LYS 71 -8.203 -21.653 5.947 608 3HZ LYS 71 HZ3 LYS 71 -7.487 -20.140 6.237 609 HA PRO 72 HA PRO 72 -4.078 -18.873 -1.910 610 1HB PRO 72 HB2 PRO 72 -5.295 -19.667 -4.192 611 2HB PRO 72 HB1 PRO 72 -3.609 -20.091 -3.838 612 1HG PRO 72 HG2 PRO 72 -6.067 -21.759 -3.597 613 2HG PRO 72 HG1 PRO 72 -4.447 -22.215 -4.150 614 1HD PRO 72 HD2 PRO 72 -5.440 -22.701 -1.589 615 2HD PRO 72 HD1 PRO 72 -3.713 -22.655 -2.005 616 H GLY 73 HN GLY 73 -5.959 -17.617 -3.079 617 1HA GLY 73 HA2 GLY 73 -8.623 -17.920 -3.022 618 2HA GLY 73 HA1 GLY 73 -8.317 -17.764 -1.290 619 H LYS 74 HN LYS 74 -6.902 -15.792 -0.712 620 HA LYS 74 HA LYS 74 -8.167 -13.435 -1.876 621 1HB LYS 74 HB2 LYS 74 -5.933 -13.680 0.164 622 2HB LYS 74 HB1 LYS 74 -6.787 -12.189 -0.237 623 1HG LYS 74 HG2 LYS 74 -8.916 -13.212 0.481 624 2HG LYS 74 HG1 LYS 74 -8.062 -14.701 0.886 625 1HD LYS 74 HD2 LYS 74 -6.697 -13.475 2.536 626 2HD LYS 74 HD1 LYS 74 -7.552 -11.985 2.135 627 1HE LYS 74 HE2 LYS 74 -8.886 -14.494 3.193 628 2HE LYS 74 HE1 LYS 74 -8.459 -13.098 4.182 629 1HZ LYS 74 HZ1 LYS 74 -10.543 -13.371 2.146 630 2HZ LYS 74 HZ2 LYS 74 -9.793 -11.855 2.312 631 3HZ LYS 74 HZ3 LYS 74 -10.586 -12.564 3.637 632 H GLY 75 HN GLY 75 -7.074 -11.762 -3.037 633 1HA GLY 75 HA2 GLY 75 -5.364 -12.475 -5.097 634 2HA GLY 75 HA1 GLY 75 -5.424 -10.840 -4.442 635 H SER 76 HN SER 76 -3.812 -10.176 -2.984 636 HA SER 76 HA SER 76 -1.763 -12.114 -2.102 637 1HB SER 76 HB2 SER 76 -0.792 -11.617 -4.203 638 2HB SER 76 HB1 SER 76 -1.277 -9.926 -4.124 639 HG SER 76 HG SER 76 0.258 -9.571 -2.574 640 H TYR 77 HN TYR 77 -0.246 -11.093 -0.553 641 HA TYR 77 HA TYR 77 -1.619 -9.130 1.114 642 1HB TYR 77 HB2 TYR 77 1.095 -10.455 1.319 643 2HB TYR 77 HB1 TYR 77 0.495 -9.302 2.503 644 HD1 TYR 77 HD1 TYR 77 0.782 -12.709 1.821 645 HD2 TYR 77 HD2 TYR 77 -2.070 -9.840 3.268 646 HE1 TYR 77 HE1 TYR 77 -0.481 -14.526 2.939 647 HE2 TYR 77 HE2 TYR 77 -3.329 -11.657 4.385 648 HH TYR 77 HH TYR 77 -3.167 -13.839 5.096 649 H TRP 78 HN TRP 78 -0.649 -7.064 1.741 650 HA TRP 78 HA TRP 78 1.230 -5.921 -0.298 651 1HB TRP 78 HB2 TRP 78 -1.340 -4.745 0.789 652 2HB TRP 78 HB1 TRP 78 -0.134 -3.800 -0.089 653 HD1 TRP 78 HD1 TRP 78 -2.827 -6.429 -0.571 654 HE1 TRP 78 HE1 TRP 78 -3.134 -6.862 -3.098 655 HE3 TRP 78 HE3 TRP 78 1.153 -3.808 -2.414 656 HZ2 TRP 78 HZ2 TRP 78 -1.855 -6.185 -5.575 657 HZ3 TRP 78 HZ3 TRP 78 1.586 -3.718 -4.848 658 HH2 TRP 78 HH2 TRP 78 0.094 -4.899 -6.429 659 H THR 79 HN THR 79 2.930 -4.867 0.605 660 HA THR 79 HA THR 79 2.668 -3.655 3.291 661 HB THR 79 HB THR 79 3.369 -6.068 3.609 662 HG1 THR 79 HG1 THR 79 5.570 -4.585 4.369 663 1HG2 THR 79 HG21 THR 79 5.459 -6.841 2.842 664 2HG2 THR 79 HG22 THR 79 6.026 -5.212 2.475 665 3HG2 THR 79 HG23 THR 79 4.806 -5.974 1.453 666 H LEU 80 HN LEU 80 4.534 -2.261 3.784 667 HA LEU 80 HA LEU 80 5.534 -0.949 1.365 668 1HB LEU 80 HB2 LEU 80 6.107 -0.397 4.293 669 2HB LEU 80 HB1 LEU 80 6.544 0.656 2.949 670 HG LEU 80 HG LEU 80 3.712 -0.152 3.682 671 1HD1 LEU 80 HD11 LEU 80 5.188 2.474 4.051 672 2HD1 LEU 80 HD12 LEU 80 4.752 1.354 5.342 673 3HD1 LEU 80 HD13 LEU 80 3.490 2.187 4.433 674 1HD2 LEU 80 HD21 LEU 80 3.614 0.325 1.389 675 2HD2 LEU 80 HD22 LEU 80 4.922 1.506 1.473 676 3HD2 LEU 80 HD23 LEU 80 3.320 1.915 2.084 677 H ASP 81 HN ASP 81 8.068 -0.117 2.278 678 HA ASP 81 HA ASP 81 9.780 -2.074 1.274 679 1HB ASP 81 HB2 ASP 81 11.577 -0.740 2.135 680 2HB ASP 81 HB1 ASP 81 10.265 0.384 1.811 681 HA PRO 82 HA PRO 82 10.286 -5.131 4.421 682 1HB PRO 82 HB2 PRO 82 13.221 -4.763 4.710 683 2HB PRO 82 HB1 PRO 82 12.319 -6.168 4.112 684 1HG PRO 82 HG2 PRO 82 13.734 -4.632 2.459 685 2HG PRO 82 HG1 PRO 82 12.176 -5.324 1.962 686 1HD PRO 82 HD2 PRO 82 12.770 -2.530 2.929 687 2HD PRO 82 HD1 PRO 82 11.789 -3.048 1.532 688 H ASP 83 HN ASP 83 12.477 -5.189 6.449 689 HA ASP 83 HA ASP 83 11.185 -3.391 8.415 690 1HB ASP 83 HB2 ASP 83 13.214 -5.626 8.674 691 2HB ASP 83 HB1 ASP 83 12.667 -4.647 10.036 692 H SER 84 HN SER 84 13.252 -2.636 6.194 693 HA SER 84 HA SER 84 15.714 -1.880 7.246 694 1HB SER 84 HB2 SER 84 15.709 -0.024 5.644 695 2HB SER 84 HB1 SER 84 15.012 -1.461 4.902 696 HG SER 84 HG SER 84 13.917 0.896 5.107 697 H TYR 85 HN TYR 85 15.747 -1.195 9.389 698 HA TYR 85 HA TYR 85 13.852 0.800 10.362 699 1HB TYR 85 HB2 TYR 85 15.598 -1.132 11.504 700 2HB TYR 85 HB1 TYR 85 16.160 0.419 12.108 701 HD1 TYR 85 HD1 TYR 85 13.962 -2.217 12.770 702 HD2 TYR 85 HD2 TYR 85 14.128 2.077 12.790 703 HE1 TYR 85 HE1 TYR 85 12.088 -2.152 14.390 704 HE2 TYR 85 HE2 TYR 85 12.254 2.140 14.412 705 HH TYR 85 HH TYR 85 10.849 0.951 15.646 706 H ASN 86 HN ASN 86 17.422 0.859 10.463 707 HA ASN 86 HA ASN 86 17.334 3.730 9.594 708 1HB ASN 86 HB2 ASN 86 19.120 4.206 11.171 709 2HB ASN 86 HB1 ASN 86 17.772 3.477 12.042 710 1HD2 ASN 86 HD21 ASN 86 20.183 3.247 13.318 711 2HD2 ASN 86 HD22 ASN 86 20.807 1.675 13.173 712 H MET 87 HN MET 87 18.014 0.887 8.519 713 HA MET 87 HA MET 87 20.807 1.272 7.629 714 1HB MET 87 HB2 MET 87 18.745 -0.900 7.155 715 2HB MET 87 HB1 MET 87 20.360 -0.923 6.445 716 1HG MET 87 HG2 MET 87 21.403 -0.971 8.613 717 2HG MET 87 HG1 MET 87 19.866 -0.660 9.419 718 1HE MET 87 HE1 MET 87 18.487 -2.393 10.420 719 2HE MET 87 HE2 MET 87 17.958 -3.807 9.511 720 3HE MET 87 HE3 MET 87 17.741 -2.198 8.829 721 H PHE 88 HN PHE 88 20.996 2.794 6.050 722 HA PHE 88 HA PHE 88 18.903 3.457 4.185 723 1HB PHE 88 HB2 PHE 88 21.867 4.081 4.228 724 2HB PHE 88 HB1 PHE 88 20.751 4.742 3.032 725 HD1 PHE 88 HD1 PHE 88 22.067 5.076 6.364 726 HD2 PHE 88 HD2 PHE 88 18.700 6.036 3.876 727 HE1 PHE 88 HE1 PHE 88 21.389 6.843 7.966 728 HE2 PHE 88 HE2 PHE 88 18.022 7.803 5.478 729 HZ PHE 88 HZ PHE 88 19.365 8.207 7.522 730 H GLU 89 HN GLU 89 21.824 1.447 3.946 731 HA GLU 89 HA GLU 89 21.650 0.989 1.128 732 1HB GLU 89 HB2 GLU 89 22.888 -0.702 3.318 733 2HB GLU 89 HB1 GLU 89 23.153 -0.944 1.589 734 1HG GLU 89 HG2 GLU 89 24.050 1.351 1.407 735 2HG GLU 89 HG1 GLU 89 23.791 1.588 3.134 736 H ASN 90 HN ASN 90 20.785 -0.769 -0.033 737 HA ASN 90 HA ASN 90 18.486 -2.106 1.301 738 1HB ASN 90 HB2 ASN 90 19.254 -1.734 -1.606 739 2HB ASN 90 HB1 ASN 90 17.873 -2.698 -1.083 740 1HD2 ASN 90 HD21 ASN 90 17.728 -0.225 -2.679 741 2HD2 ASN 90 HD22 ASN 90 16.846 0.896 -1.758 742 H GLY 91 HN GLY 91 21.575 -2.862 1.130 743 1HA GLY 91 HA2 GLY 91 21.022 -5.766 0.952 744 2HA GLY 91 HA1 GLY 91 22.205 -5.127 -0.189 745 H SER 92 HN SER 92 21.496 -5.295 3.304 746 HA SER 92 HA SER 92 24.404 -5.662 3.797 747 1HB SER 92 HB2 SER 92 22.739 -3.629 5.311 748 2HB SER 92 HB1 SER 92 24.452 -3.971 5.540 749 HG SER 92 HG SER 92 23.180 -2.458 3.638 750 H PHE 93 HN PHE 93 21.102 -5.641 5.110 751 HA PHE 93 HA PHE 93 21.836 -7.180 7.460 752 1HB PHE 93 HB2 PHE 93 19.857 -5.684 7.417 753 2HB PHE 93 HB1 PHE 93 19.096 -6.753 6.238 754 HD1 PHE 93 HD1 PHE 93 18.325 -8.986 6.865 755 HD2 PHE 93 HD2 PHE 93 20.176 -6.388 9.741 756 HE1 PHE 93 HE1 PHE 93 17.528 -10.450 8.701 757 HE2 PHE 93 HE2 PHE 93 19.378 -7.852 11.578 758 HZ PHE 93 HZ PHE 93 18.054 -9.883 11.057 759 H LEU 94 HN LEU 94 21.104 -8.023 4.173 760 HA LEU 94 HA LEU 94 19.957 -10.592 4.532 761 1HB LEU 94 HB2 LEU 94 21.795 -9.473 2.406 762 2HB LEU 94 HB1 LEU 94 21.209 -11.133 2.335 763 HG LEU 94 HG LEU 94 18.858 -10.223 2.522 764 1HD1 LEU 94 HD11 LEU 94 19.178 -8.053 3.448 765 2HD1 LEU 94 HD12 LEU 94 18.695 -7.770 1.776 766 3HD1 LEU 94 HD13 LEU 94 20.390 -7.631 2.238 767 1HD2 LEU 94 HD21 LEU 94 20.605 -9.402 0.187 768 2HD2 LEU 94 HD22 LEU 94 18.842 -9.392 0.142 769 3HD2 LEU 94 HD23 LEU 94 19.712 -10.912 0.364 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -24.400 15.623 3.996 2 2H MET 1 HT2 MET 1 -24.150 15.918 2.342 3 3H MET 1 HT3 MET 1 -25.201 16.910 3.235 4 HA MET 1 HA MET 1 -23.162 18.089 2.902 5 1HB MET 1 HB2 MET 1 -23.545 16.976 5.692 6 2HB MET 1 HB1 MET 1 -22.450 18.310 5.324 7 1HG MET 1 HG2 MET 1 -24.337 19.603 4.392 8 2HG MET 1 HG1 MET 1 -25.431 18.270 4.766 9 1HE MET 1 HE1 MET 1 -26.577 20.365 5.578 10 2HE MET 1 HE2 MET 1 -25.416 21.598 6.065 11 3HE MET 1 HE3 MET 1 -26.516 20.912 7.258 12 H LEU 2 HN LEU 2 -22.686 15.115 2.339 13 HA LEU 2 HA LEU 2 -20.159 14.489 3.637 14 1HB LEU 2 HB2 LEU 2 -21.299 13.320 1.081 15 2HB LEU 2 HB1 LEU 2 -20.073 12.594 2.120 16 HG LEU 2 HG LEU 2 -22.962 13.140 2.857 17 1HD1 LEU 2 HD11 LEU 2 -21.434 10.538 2.567 18 2HD1 LEU 2 HD12 LEU 2 -22.549 11.188 1.364 19 3HD1 LEU 2 HD13 LEU 2 -23.147 10.709 2.953 20 1HD2 LEU 2 HD21 LEU 2 -22.178 11.719 4.924 21 2HD2 LEU 2 HD22 LEU 2 -21.830 13.445 4.888 22 3HD2 LEU 2 HD23 LEU 2 -20.567 12.284 4.478 23 H VAL 3 HN VAL 3 -18.076 14.578 2.689 24 HA VAL 3 HA VAL 3 -17.804 16.077 0.126 25 HB VAL 3 HB VAL 3 -15.980 16.776 2.415 26 1HG1 VAL 3 HG11 VAL 3 -15.505 17.630 0.156 27 2HG1 VAL 3 HG12 VAL 3 -15.943 18.949 1.240 28 3HG1 VAL 3 HG13 VAL 3 -17.119 18.336 0.077 29 1HG2 VAL 3 HG21 VAL 3 -18.178 17.034 3.419 30 2HG2 VAL 3 HG22 VAL 3 -18.775 17.871 1.987 31 3HG2 VAL 3 HG23 VAL 3 -17.558 18.633 3.011 32 H LYS 4 HN LYS 4 -15.401 16.003 -0.546 33 HA LYS 4 HA LYS 4 -14.504 13.206 -0.322 34 1HB LYS 4 HB2 LYS 4 -14.579 14.360 -2.509 35 2HB LYS 4 HB1 LYS 4 -13.400 15.530 -1.921 36 1HG LYS 4 HG2 LYS 4 -11.725 13.801 -1.658 37 2HG LYS 4 HG1 LYS 4 -12.902 12.543 -2.037 38 1HD LYS 4 HD2 LYS 4 -13.223 13.617 -4.288 39 2HD LYS 4 HD1 LYS 4 -11.895 14.709 -3.901 40 1HE LYS 4 HE2 LYS 4 -11.078 12.799 -5.218 41 2HE LYS 4 HE1 LYS 4 -10.395 12.764 -3.593 42 1HZ LYS 4 HZ1 LYS 4 -12.745 11.207 -4.529 43 2HZ LYS 4 HZ2 LYS 4 -12.119 11.190 -2.949 44 3HZ LYS 4 HZ3 LYS 4 -11.193 10.587 -4.239 45 HA PRO 5 HA PRO 5 -11.849 14.524 3.176 46 1HB PRO 5 HB2 PRO 5 -10.517 11.946 2.406 47 2HB PRO 5 HB1 PRO 5 -10.938 12.560 4.020 48 1HG PRO 5 HG2 PRO 5 -12.425 10.703 2.865 49 2HG PRO 5 HG1 PRO 5 -13.177 12.022 3.781 50 1HD PRO 5 HD2 PRO 5 -13.039 11.635 0.814 51 2HD PRO 5 HD1 PRO 5 -14.319 12.374 1.801 52 HA PRO 6 HA PRO 6 -8.784 16.589 0.492 53 1HB PRO 6 HB2 PRO 6 -7.385 16.783 3.146 54 2HB PRO 6 HB1 PRO 6 -7.618 18.029 1.904 55 1HG PRO 6 HG2 PRO 6 -9.110 17.984 4.106 56 2HG PRO 6 HG1 PRO 6 -9.798 18.439 2.538 57 1HD PRO 6 HD2 PRO 6 -10.192 15.929 4.101 58 2HD PRO 6 HD1 PRO 6 -11.273 16.717 2.930 59 H TYR 7 HN TYR 7 -8.326 13.683 2.251 60 HA TYR 7 HA TYR 7 -5.487 13.362 1.797 61 1HB TYR 7 HB2 TYR 7 -7.545 11.170 2.161 62 2HB TYR 7 HB1 TYR 7 -5.814 11.071 2.481 63 HD1 TYR 7 HD1 TYR 7 -8.906 11.456 4.029 64 HD2 TYR 7 HD2 TYR 7 -4.943 13.107 4.075 65 HE1 TYR 7 HE1 TYR 7 -9.291 12.307 6.321 66 HE2 TYR 7 HE2 TYR 7 -5.322 13.950 6.376 67 HH TYR 7 HH TYR 7 -8.210 13.100 8.191 68 H SER 8 HN SER 8 -4.433 12.261 0.118 69 HA SER 8 HA SER 8 -5.887 12.149 -2.430 70 1HB SER 8 HB2 SER 8 -3.012 11.592 -1.656 71 2HB SER 8 HB1 SER 8 -3.620 11.391 -3.297 72 HG SER 8 HG SER 8 -4.468 13.690 -2.758 73 H TYR 9 HN TYR 9 -5.514 10.108 -3.826 74 HA TYR 9 HA TYR 9 -6.722 7.866 -2.551 75 1HB TYR 9 HB2 TYR 9 -5.110 8.044 -5.114 76 2HB TYR 9 HB1 TYR 9 -6.002 6.609 -4.613 77 HD1 TYR 9 HD1 TYR 9 -8.449 6.590 -4.566 78 HD2 TYR 9 HD2 TYR 9 -6.273 10.076 -5.815 79 HE1 TYR 9 HE1 TYR 9 -10.528 7.544 -5.520 80 HE2 TYR 9 HE2 TYR 9 -8.353 11.032 -6.769 81 HH TYR 9 HH TYR 9 -11.176 10.377 -6.044 82 H ILE 10 HN ILE 10 -3.319 8.614 -3.257 83 HA ILE 10 HA ILE 10 -2.297 6.075 -2.324 84 HB ILE 10 HB ILE 10 -0.894 8.766 -2.431 85 1HG1 ILE 10 HG12 ILE 10 -1.809 8.273 -4.624 86 2HG1 ILE 10 HG11 ILE 10 -0.076 7.965 -4.660 87 1HG2 ILE 10 HG21 ILE 10 0.279 7.004 -1.129 88 2HG2 ILE 10 HG22 ILE 10 1.151 7.430 -2.599 89 3HG2 ILE 10 HG23 ILE 10 0.207 5.943 -2.536 90 1HD1 ILE 10 HD11 ILE 10 -0.744 5.506 -4.077 91 2HD1 ILE 10 HD12 ILE 10 -0.959 6.079 -5.728 92 3HD1 ILE 10 HD13 ILE 10 -2.343 5.986 -4.644 93 H ALA 11 HN ALA 11 -2.817 9.239 -0.786 94 HA ALA 11 HA ALA 11 -1.567 8.631 1.702 95 1HB ALA 11 HB1 ALA 11 -3.862 10.497 1.038 96 2HB ALA 11 HB2 ALA 11 -2.155 10.917 1.189 97 3HB ALA 11 HB3 ALA 11 -3.075 10.436 2.615 98 H LEU 12 HN LEU 12 -5.006 8.278 0.724 99 HA LEU 12 HA LEU 12 -5.895 7.253 3.232 100 1HB LEU 12 HB2 LEU 12 -6.892 6.706 0.420 101 2HB LEU 12 HB1 LEU 12 -7.739 6.189 1.875 102 HG LEU 12 HG LEU 12 -7.000 9.071 1.295 103 1HD1 LEU 12 HD11 LEU 12 -9.561 7.542 0.769 104 2HD1 LEU 12 HD12 LEU 12 -8.552 8.378 -0.411 105 3HD1 LEU 12 HD13 LEU 12 -9.463 9.303 0.780 106 1HD2 LEU 12 HD21 LEU 12 -8.598 7.664 3.435 107 2HD2 LEU 12 HD22 LEU 12 -8.997 9.322 2.995 108 3HD2 LEU 12 HD23 LEU 12 -7.394 8.940 3.608 109 H ILE 13 HN ILE 13 -4.527 5.631 0.382 110 HA ILE 13 HA ILE 13 -4.775 2.961 1.427 111 HB ILE 13 HB ILE 13 -2.810 4.154 -0.554 112 1HG1 ILE 13 HG12 ILE 13 -5.259 2.433 -1.039 113 2HG1 ILE 13 HG11 ILE 13 -5.295 4.193 -1.101 114 1HG2 ILE 13 HG21 ILE 13 -3.333 1.314 0.334 115 2HG2 ILE 13 HG22 ILE 13 -1.788 2.151 0.183 116 3HG2 ILE 13 HG23 ILE 13 -2.672 1.667 -1.262 117 1HD1 ILE 13 HD11 ILE 13 -3.809 2.283 -2.904 118 2HD1 ILE 13 HD12 ILE 13 -3.340 3.978 -2.790 119 3HD1 ILE 13 HD13 ILE 13 -4.952 3.548 -3.352 120 H THR 14 HN THR 14 -2.227 5.428 1.563 121 HA THR 14 HA THR 14 -0.288 3.876 2.968 122 HB THR 14 HB THR 14 -0.785 6.863 3.066 123 HG1 THR 14 HG1 THR 14 -0.394 6.059 0.980 124 1HG2 THR 14 HG21 THR 14 0.646 6.197 4.897 125 2HG2 THR 14 HG22 THR 14 1.659 6.924 3.650 126 3HG2 THR 14 HG23 THR 14 1.606 5.171 3.831 127 H MET 15 HN MET 15 -2.974 5.907 4.104 128 HA MET 15 HA MET 15 -2.338 5.659 6.904 129 1HB MET 15 HB2 MET 15 -4.919 6.315 5.460 130 2HB MET 15 HB1 MET 15 -4.756 6.345 7.215 131 1HG MET 15 HG2 MET 15 -2.940 8.003 7.024 132 2HG MET 15 HG1 MET 15 -3.097 7.977 5.269 133 1HE MET 15 HE1 MET 15 -2.977 10.393 6.674 134 2HE MET 15 HE2 MET 15 -4.417 11.405 6.604 135 3HE MET 15 HE3 MET 15 -3.724 10.766 5.115 136 H ALA 16 HN ALA 16 -4.416 3.819 4.696 137 HA ALA 16 HA ALA 16 -5.658 2.142 6.614 138 1HB ALA 16 HB1 ALA 16 -6.546 1.940 4.459 139 2HB ALA 16 HB2 ALA 16 -5.591 0.462 4.573 140 3HB ALA 16 HB3 ALA 16 -4.954 1.861 3.705 141 H ILE 17 HN ILE 17 -2.601 1.655 4.815 142 HA ILE 17 HA ILE 17 -1.922 -0.852 6.001 143 HB ILE 17 HB ILE 17 -0.035 1.355 5.112 144 1HG1 ILE 17 HG12 ILE 17 -1.063 -0.989 3.496 145 2HG1 ILE 17 HG11 ILE 17 -1.790 0.617 3.427 146 1HG2 ILE 17 HG21 ILE 17 0.263 -1.617 5.596 147 2HG2 ILE 17 HG22 ILE 17 1.199 -0.301 6.305 148 3HG2 ILE 17 HG23 ILE 17 1.404 -0.710 4.602 149 1HD1 ILE 17 HD11 ILE 17 1.097 -0.059 2.792 150 2HD1 ILE 17 HD12 ILE 17 0.415 1.569 2.794 151 3HD1 ILE 17 HD13 ILE 17 -0.149 0.378 1.622 152 H GLN 18 HN GLN 18 -0.970 2.463 6.854 153 HA GLN 18 HA GLN 18 0.545 1.807 9.173 154 1HB GLN 18 HB2 GLN 18 -1.017 4.319 8.508 155 2HB GLN 18 HB1 GLN 18 0.146 4.187 9.829 156 1HG GLN 18 HG2 GLN 18 0.814 3.600 6.937 157 2HG GLN 18 HG1 GLN 18 1.112 5.155 7.712 158 1HE2 GLN 18 HE21 GLN 18 2.797 2.543 6.799 159 2HE2 GLN 18 HE22 GLN 18 3.921 2.421 8.064 160 H ASN 19 HN ASN 19 -2.916 2.519 8.777 161 HA ASN 19 HA ASN 19 -3.430 2.311 11.643 162 1HB ASN 19 HB2 ASN 19 -5.258 2.405 9.226 163 2HB ASN 19 HB1 ASN 19 -5.849 2.318 10.887 164 1HD2 ASN 19 HD21 ASN 19 -5.195 4.530 8.485 165 2HD2 ASN 19 HD22 ASN 19 -4.865 5.892 9.441 166 H ALA 20 HN ALA 20 -2.688 0.082 9.299 167 HA ALA 20 HA ALA 20 -4.516 -2.041 10.113 168 1HB ALA 20 HB1 ALA 20 -1.900 -2.372 8.627 169 2HB ALA 20 HB2 ALA 20 -3.375 -1.823 7.833 170 3HB ALA 20 HB3 ALA 20 -3.316 -3.422 8.575 171 HA PRO 21 HA PRO 21 -2.254 -2.809 13.996 172 1HB PRO 21 HB2 PRO 21 -3.247 -5.575 13.333 173 2HB PRO 21 HB1 PRO 21 -3.229 -4.737 14.899 174 1HG PRO 21 HG2 PRO 21 -5.463 -4.898 13.470 175 2HG PRO 21 HG1 PRO 21 -5.058 -3.425 14.370 176 1HD PRO 21 HD2 PRO 21 -5.011 -3.892 11.429 177 2HD PRO 21 HD1 PRO 21 -5.212 -2.369 12.324 178 H GLU 22 HN GLU 22 -1.883 -4.572 11.003 179 HA GLU 22 HA GLU 22 1.002 -5.019 11.635 180 1HB GLU 22 HB2 GLU 22 0.885 -7.226 10.536 181 2HB GLU 22 HB1 GLU 22 -0.185 -7.171 11.937 182 1HG GLU 22 HG2 GLU 22 -2.102 -6.700 10.453 183 2HG GLU 22 HG1 GLU 22 -1.032 -6.767 9.054 184 H LYS 23 HN LYS 23 2.335 -4.995 9.701 185 HA LYS 23 HA LYS 23 1.427 -3.086 7.763 186 1HB LYS 23 HB2 LYS 23 3.841 -4.918 7.807 187 2HB LYS 23 HB1 LYS 23 3.592 -3.670 6.589 188 1HG LYS 23 HG2 LYS 23 3.508 -3.000 9.532 189 2HG LYS 23 HG1 LYS 23 5.041 -3.091 8.671 190 1HD LYS 23 HD2 LYS 23 4.092 -1.441 6.996 191 2HD LYS 23 HD1 LYS 23 2.717 -1.235 8.080 192 1HE LYS 23 HE2 LYS 23 4.389 0.503 8.507 193 2HE LYS 23 HE1 LYS 23 4.259 -0.572 9.898 194 1HZ LYS 23 HZ1 LYS 23 6.573 0.058 8.875 195 2HZ LYS 23 HZ2 LYS 23 6.216 -1.227 7.821 196 3HZ LYS 23 HZ3 LYS 23 6.285 -1.493 9.498 197 H LYS 24 HN LYS 24 1.511 -6.625 7.724 198 HA LYS 24 HA LYS 24 0.973 -6.755 4.853 199 1HB LYS 24 HB2 LYS 24 0.776 -8.841 7.042 200 2HB LYS 24 HB1 LYS 24 0.531 -9.183 5.332 201 1HG LYS 24 HG2 LYS 24 2.814 -8.383 4.843 202 2HG LYS 24 HG1 LYS 24 3.062 -8.052 6.559 203 1HD LYS 24 HD2 LYS 24 2.649 -10.445 7.067 204 2HD LYS 24 HD1 LYS 24 2.457 -10.765 5.342 205 1HE LYS 24 HE2 LYS 24 4.959 -9.631 6.629 206 2HE LYS 24 HE1 LYS 24 4.747 -11.311 6.138 207 1HZ LYS 24 HZ1 LYS 24 4.395 -10.569 3.870 208 2HZ LYS 24 HZ2 LYS 24 5.901 -10.035 4.447 209 3HZ LYS 24 HZ3 LYS 24 4.595 -8.952 4.341 210 H ILE 25 HN ILE 25 -0.990 -6.417 3.950 211 HA ILE 25 HA ILE 25 -3.449 -7.112 5.486 212 HB ILE 25 HB ILE 25 -2.938 -4.661 5.764 213 1HG1 ILE 25 HG12 ILE 25 -5.405 -5.152 4.078 214 2HG1 ILE 25 HG11 ILE 25 -5.274 -5.676 5.757 215 1HG2 ILE 25 HG21 ILE 25 -1.950 -4.495 3.412 216 2HG2 ILE 25 HG22 ILE 25 -3.029 -3.186 3.893 217 3HG2 ILE 25 HG23 ILE 25 -3.611 -4.462 2.823 218 1HD1 ILE 25 HD11 ILE 25 -6.381 -3.452 5.542 219 2HD1 ILE 25 HD12 ILE 25 -4.906 -2.819 4.812 220 3HD1 ILE 25 HD13 ILE 25 -4.893 -3.377 6.485 221 H THR 26 HN THR 26 -5.291 -7.517 4.100 222 HA THR 26 HA THR 26 -4.497 -8.558 1.475 223 HB THR 26 HB THR 26 -6.820 -9.381 1.363 224 HG1 THR 26 HG1 THR 26 -7.060 -7.607 3.510 225 1HG2 THR 26 HG21 THR 26 -5.292 -9.775 3.935 226 2HG2 THR 26 HG22 THR 26 -5.401 -10.856 2.545 227 3HG2 THR 26 HG23 THR 26 -6.790 -10.648 3.611 228 H LEU 27 HN LEU 27 -5.439 -7.914 -0.522 229 HA LEU 27 HA LEU 27 -5.639 -5.111 -0.965 230 1HB LEU 27 HB2 LEU 27 -5.067 -6.822 -2.690 231 2HB LEU 27 HB1 LEU 27 -6.731 -7.391 -2.650 232 HG LEU 27 HG LEU 27 -7.510 -5.168 -3.437 233 1HD1 LEU 27 HD11 LEU 27 -4.575 -4.545 -3.137 234 2HD1 LEU 27 HD12 LEU 27 -5.972 -3.575 -2.669 235 3HD1 LEU 27 HD13 LEU 27 -5.521 -3.707 -4.365 236 1HD2 LEU 27 HD21 LEU 27 -6.845 -7.013 -5.008 237 2HD2 LEU 27 HD22 LEU 27 -5.255 -6.261 -5.142 238 3HD2 LEU 27 HD23 LEU 27 -6.688 -5.402 -5.701 239 H ASN 28 HN ASN 28 -8.169 -7.617 -0.803 240 HA ASN 28 HA ASN 28 -10.411 -5.897 -1.132 241 1HB ASN 28 HB2 ASN 28 -10.118 -8.532 0.323 242 2HB ASN 28 HB1 ASN 28 -11.668 -7.725 0.084 243 1HD2 ASN 28 HD21 ASN 28 -11.073 -10.299 -1.089 244 2HD2 ASN 28 HD22 ASN 28 -11.035 -10.106 -2.775 245 H GLY 29 HN GLY 29 -8.627 -6.871 1.777 246 1HA GLY 29 HA2 GLY 29 -10.362 -5.741 3.712 247 2HA GLY 29 HA1 GLY 29 -8.628 -5.966 3.937 248 H ILE 30 HN ILE 30 -7.729 -4.216 1.847 249 HA ILE 30 HA ILE 30 -7.712 -1.736 3.234 250 HB ILE 30 HB ILE 30 -7.128 -2.357 0.325 251 1HG1 ILE 30 HG12 ILE 30 -5.245 -1.813 2.637 252 2HG1 ILE 30 HG11 ILE 30 -5.720 -3.437 2.140 253 1HG2 ILE 30 HG21 ILE 30 -6.754 0.158 1.966 254 2HG2 ILE 30 HG22 ILE 30 -7.569 -0.011 0.412 255 3HG2 ILE 30 HG23 ILE 30 -5.816 -0.161 0.507 256 1HD1 ILE 30 HD11 ILE 30 -4.244 -1.374 0.481 257 2HD1 ILE 30 HD12 ILE 30 -4.893 -2.874 -0.180 258 3HD1 ILE 30 HD13 ILE 30 -3.628 -2.927 1.047 259 H TYR 31 HN TYR 31 -9.712 -2.817 0.482 260 HA TYR 31 HA TYR 31 -10.984 -0.322 -0.018 261 1HB TYR 31 HB2 TYR 31 -11.801 -3.192 -0.436 262 2HB TYR 31 HB1 TYR 31 -12.917 -1.886 -0.820 263 HD1 TYR 31 HD1 TYR 31 -10.081 -3.783 -1.950 264 HD2 TYR 31 HD2 TYR 31 -12.078 -0.009 -2.373 265 HE1 TYR 31 HE1 TYR 31 -8.909 -3.410 -4.100 266 HE2 TYR 31 HE2 TYR 31 -10.903 0.367 -4.518 267 HH TYR 31 HH TYR 31 -9.780 -0.827 -6.237 268 H GLN 32 HN GLN 32 -11.969 -2.961 2.178 269 HA GLN 32 HA GLN 32 -14.397 -1.757 3.049 270 1HB GLN 32 HB2 GLN 32 -12.523 -3.706 4.395 271 2HB GLN 32 HB1 GLN 32 -14.076 -3.236 5.086 272 1HG GLN 32 HG2 GLN 32 -13.770 -4.371 2.294 273 2HG GLN 32 HG1 GLN 32 -14.137 -5.359 3.710 274 1HE2 GLN 32 HE21 GLN 32 -15.696 -4.026 1.167 275 2HE2 GLN 32 HE22 GLN 32 -17.187 -3.645 1.881 276 H PHE 33 HN PHE 33 -11.081 -1.390 4.235 277 HA PHE 33 HA PHE 33 -11.661 0.010 6.632 278 1HB PHE 33 HB2 PHE 33 -9.427 -0.838 6.089 279 2HB PHE 33 HB1 PHE 33 -9.300 0.305 4.754 280 HD1 PHE 33 HD1 PHE 33 -8.997 2.693 5.152 281 HD2 PHE 33 HD2 PHE 33 -9.280 -0.086 8.416 282 HE1 PHE 33 HE1 PHE 33 -8.119 4.420 6.699 283 HE2 PHE 33 HE2 PHE 33 -8.403 1.642 9.963 284 HZ PHE 33 HZ PHE 33 -7.822 3.896 9.104 285 H ILE 34 HN ILE 34 -10.980 1.343 3.372 286 HA ILE 34 HA ILE 34 -11.245 4.072 4.102 287 HB ILE 34 HB ILE 34 -11.816 2.697 1.464 288 1HG1 ILE 34 HG12 ILE 34 -9.397 4.295 2.352 289 2HG1 ILE 34 HG11 ILE 34 -9.492 2.539 2.496 290 1HG2 ILE 34 HG21 ILE 34 -11.638 5.612 2.248 291 2HG2 ILE 34 HG22 ILE 34 -12.896 4.806 1.309 292 3HG2 ILE 34 HG23 ILE 34 -11.304 5.078 0.600 293 1HD1 ILE 34 HD11 ILE 34 -9.914 4.023 -0.111 294 2HD1 ILE 34 HD12 ILE 34 -9.737 2.282 0.111 295 3HD1 ILE 34 HD13 ILE 34 -8.361 3.351 0.386 296 H MET 35 HN MET 35 -13.748 1.879 2.737 297 HA MET 35 HA MET 35 -15.836 3.842 2.842 298 1HB MET 35 HB2 MET 35 -15.923 0.818 2.849 299 2HB MET 35 HB1 MET 35 -17.367 1.826 2.758 300 1HG MET 35 HG2 MET 35 -16.485 2.903 0.717 301 2HG MET 35 HG1 MET 35 -15.052 1.880 0.799 302 1HE MET 35 HE1 MET 35 -16.191 -1.112 1.581 303 2HE MET 35 HE2 MET 35 -14.894 -0.441 0.594 304 3HE MET 35 HE3 MET 35 -16.053 -1.556 -0.123 305 H ASP 36 HN ASP 36 -14.782 1.382 5.184 306 HA ASP 36 HA ASP 36 -16.912 1.771 7.045 307 1HB ASP 36 HB2 ASP 36 -14.055 0.849 7.434 308 2HB ASP 36 HB1 ASP 36 -15.258 0.845 8.724 309 H ARG 37 HN ARG 37 -13.781 3.386 6.664 310 HA ARG 37 HA ARG 37 -14.193 5.086 9.007 311 1HB ARG 37 HB2 ARG 37 -12.210 5.269 6.719 312 2HB ARG 37 HB1 ARG 37 -12.144 6.236 8.186 313 1HG ARG 37 HG2 ARG 37 -12.110 3.208 8.216 314 2HG ARG 37 HG1 ARG 37 -10.638 4.171 8.137 315 1HD ARG 37 HD2 ARG 37 -12.687 4.107 10.371 316 2HD ARG 37 HD1 ARG 37 -10.982 3.670 10.448 317 HE ARG 37 HE ARG 37 -10.865 6.298 9.694 318 1HH1 ARG 37 HH21 ARG 37 -12.518 4.536 12.152 319 2HH1 ARG 37 HH22 ARG 37 -12.503 5.846 13.285 320 1HH2 ARG 37 HH11 ARG 37 -10.841 8.017 11.151 321 2HH2 ARG 37 HH12 ARG 37 -11.554 7.819 12.717 322 H PHE 38 HN PHE 38 -13.656 6.030 5.596 323 HA PHE 38 HA PHE 38 -15.290 8.440 6.058 324 1HB PHE 38 HB2 PHE 38 -13.790 7.500 3.596 325 2HB PHE 38 HB1 PHE 38 -14.541 9.082 3.800 326 HD1 PHE 38 HD1 PHE 38 -13.746 10.585 5.689 327 HD2 PHE 38 HD2 PHE 38 -11.637 7.040 4.490 328 HE1 PHE 38 HE1 PHE 38 -11.712 11.402 6.848 329 HE2 PHE 38 HE2 PHE 38 -9.603 7.857 5.649 330 HZ PHE 38 HZ PHE 38 -9.641 10.038 6.829 331 HA PRO 39 HA PRO 39 -18.678 6.023 4.184 332 1HB PRO 39 HB2 PRO 39 -20.746 7.622 4.862 333 2HB PRO 39 HB1 PRO 39 -19.914 6.623 6.071 334 1HG PRO 39 HG2 PRO 39 -19.622 9.538 5.504 335 2HG PRO 39 HG1 PRO 39 -19.671 8.696 7.063 336 1HD PRO 39 HD2 PRO 39 -17.331 9.517 5.814 337 2HD PRO 39 HD1 PRO 39 -17.413 8.201 7.006 338 H PHE 40 HN PHE 40 -17.387 8.970 3.323 339 HA PHE 40 HA PHE 40 -19.220 10.013 1.410 340 1HB PHE 40 HB2 PHE 40 -17.399 11.406 1.996 341 2HB PHE 40 HB1 PHE 40 -16.220 10.124 1.738 342 HD1 PHE 40 HD1 PHE 40 -18.796 12.123 -0.121 343 HD2 PHE 40 HD2 PHE 40 -15.022 10.068 -0.276 344 HE1 PHE 40 HE1 PHE 40 -18.466 12.907 -2.450 345 HE2 PHE 40 HE2 PHE 40 -14.695 10.854 -2.607 346 HZ PHE 40 HZ PHE 40 -16.417 12.271 -3.693 347 H TYR 41 HN TYR 41 -16.715 7.532 1.182 348 HA TYR 41 HA TYR 41 -16.962 7.110 -1.655 349 1HB TYR 41 HB2 TYR 41 -15.874 5.369 0.571 350 2HB TYR 41 HB1 TYR 41 -15.717 4.993 -1.150 351 HD1 TYR 41 HD1 TYR 41 -14.798 7.370 1.515 352 HD2 TYR 41 HD2 TYR 41 -14.262 6.269 -2.590 353 HE1 TYR 41 HE1 TYR 41 -12.890 8.938 1.350 354 HE2 TYR 41 HE2 TYR 41 -12.349 7.824 -2.772 355 HH TYR 41 HH TYR 41 -11.071 9.301 -1.705 356 H ARG 42 HN ARG 42 -18.743 5.882 1.117 357 HA ARG 42 HA ARG 42 -19.848 3.560 -0.105 358 1HB ARG 42 HB2 ARG 42 -21.026 5.457 1.951 359 2HB ARG 42 HB1 ARG 42 -21.777 3.931 1.486 360 1HG ARG 42 HG2 ARG 42 -19.738 2.715 2.174 361 2HG ARG 42 HG1 ARG 42 -18.995 4.241 2.654 362 1HD ARG 42 HD2 ARG 42 -19.912 3.221 4.645 363 2HD ARG 42 HD1 ARG 42 -20.930 4.599 4.231 364 HE ARG 42 HE ARG 42 -22.110 2.422 2.941 365 1HH1 ARG 42 HH21 ARG 42 -21.185 3.291 6.149 366 2HH1 ARG 42 HH22 ARG 42 -22.416 2.335 6.904 367 1HH2 ARG 42 HH11 ARG 42 -23.717 1.168 3.909 368 2HH2 ARG 42 HH12 ARG 42 -23.850 1.133 5.636 369 H GLU 43 HN GLU 43 -20.804 6.977 -0.218 370 HA GLU 43 HA GLU 43 -23.200 6.631 -1.723 371 1HB GLU 43 HB2 GLU 43 -22.608 8.766 -0.634 372 2HB GLU 43 HB1 GLU 43 -21.258 8.956 -1.751 373 1HG GLU 43 HG2 GLU 43 -22.819 9.022 -3.653 374 2HG GLU 43 HG1 GLU 43 -24.179 8.782 -2.556 375 H ASN 44 HN ASN 44 -19.866 7.027 -2.687 376 HA ASN 44 HA ASN 44 -20.608 6.449 -5.538 377 1HB ASN 44 HB2 ASN 44 -18.182 7.824 -4.342 378 2HB ASN 44 HB1 ASN 44 -18.369 7.451 -6.056 379 1HD2 ASN 44 HD21 ASN 44 -18.190 10.167 -4.910 380 2HD2 ASN 44 HD22 ASN 44 -19.653 10.946 -5.281 381 H LYS 45 HN LYS 45 -20.383 4.254 -5.837 382 HA LYS 45 HA LYS 45 -18.164 2.826 -4.467 383 1HB LYS 45 HB2 LYS 45 -20.533 1.853 -6.087 384 2HB LYS 45 HB1 LYS 45 -19.308 0.792 -5.398 385 1HG LYS 45 HG2 LYS 45 -19.857 1.625 -3.138 386 2HG LYS 45 HG1 LYS 45 -21.086 2.685 -3.829 387 1HD LYS 45 HD2 LYS 45 -22.241 0.687 -4.766 388 2HD LYS 45 HD1 LYS 45 -21.047 -0.345 -3.980 389 1HE LYS 45 HE2 LYS 45 -22.695 1.656 -2.428 390 2HE LYS 45 HE1 LYS 45 -23.259 0.012 -2.726 391 1HZ LYS 45 HZ1 LYS 45 -22.050 0.320 -0.595 392 2HZ LYS 45 HZ2 LYS 45 -20.642 0.652 -1.485 393 3HZ LYS 45 HZ3 LYS 45 -21.384 -0.872 -1.600 394 H GLN 46 HN GLN 46 -19.379 3.478 -7.754 395 HA GLN 46 HA GLN 46 -17.078 2.065 -8.941 396 1HB GLN 46 HB2 GLN 46 -19.423 3.559 -10.132 397 2HB GLN 46 HB1 GLN 46 -18.139 2.838 -11.103 398 1HG GLN 46 HG2 GLN 46 -18.622 0.632 -10.111 399 2HG GLN 46 HG1 GLN 46 -19.910 1.349 -9.142 400 1HE2 GLN 46 HE21 GLN 46 -21.734 0.358 -10.138 401 2HE2 GLN 46 HE22 GLN 46 -22.128 0.565 -11.776 402 H GLY 47 HN GLY 47 -15.375 3.041 -9.994 403 1HA GLY 47 HA2 GLY 47 -14.355 4.996 -11.092 404 2HA GLY 47 HA1 GLY 47 -15.229 6.035 -9.968 405 H TRP 48 HN TRP 48 -14.729 5.084 -7.528 406 HA TRP 48 HA TRP 48 -11.817 5.500 -7.245 407 1HB TRP 48 HB2 TRP 48 -12.265 6.032 -4.995 408 2HB TRP 48 HB1 TRP 48 -13.687 6.633 -5.841 409 HD1 TRP 48 HD1 TRP 48 -15.979 5.292 -5.516 410 HE1 TRP 48 HE1 TRP 48 -16.732 3.588 -3.741 411 HE3 TRP 48 HE3 TRP 48 -11.468 4.122 -3.456 412 HZ2 TRP 48 HZ2 TRP 48 -15.571 1.930 -1.720 413 HZ3 TRP 48 HZ3 TRP 48 -11.312 2.473 -1.612 414 HH2 TRP 48 HH2 TRP 48 -13.358 1.378 -0.739 415 H GLN 49 HN GLN 49 -13.812 2.876 -7.682 416 HA GLN 49 HA GLN 49 -12.709 1.060 -5.720 417 1HB GLN 49 HB2 GLN 49 -14.921 0.775 -6.877 418 2HB GLN 49 HB1 GLN 49 -14.040 0.377 -8.352 419 1HG GLN 49 HG2 GLN 49 -14.619 -1.701 -7.270 420 2HG GLN 49 HG1 GLN 49 -12.885 -1.467 -7.063 421 1HE2 GLN 49 HE21 GLN 49 -12.575 -2.472 -5.024 422 2HE2 GLN 49 HE22 GLN 49 -13.361 -1.975 -3.604 423 H ASN 50 HN ASN 50 -12.308 1.079 -9.281 424 HA ASN 50 HA ASN 50 -10.076 -0.737 -9.212 425 1HB ASN 50 HB2 ASN 50 -11.098 1.156 -11.347 426 2HB ASN 50 HB1 ASN 50 -9.785 0.010 -11.612 427 1HD2 ASN 50 HD21 ASN 50 -10.402 -2.371 -10.977 428 2HD2 ASN 50 HD22 ASN 50 -11.976 -2.869 -11.374 429 H SER 51 HN SER 51 -10.296 2.804 -9.448 430 HA SER 51 HA SER 51 -7.654 3.452 -10.061 431 1HB SER 51 HB2 SER 51 -9.566 4.822 -8.156 432 2HB SER 51 HB1 SER 51 -8.051 5.537 -8.702 433 HG SER 51 HG SER 51 -8.863 5.195 -10.872 434 H ILE 52 HN ILE 52 -8.915 2.302 -6.972 435 HA ILE 52 HA ILE 52 -6.596 3.011 -5.412 436 HB ILE 52 HB ILE 52 -8.719 0.900 -5.022 437 1HG1 ILE 52 HG12 ILE 52 -9.259 3.463 -5.071 438 2HG1 ILE 52 HG11 ILE 52 -9.928 2.459 -3.789 439 1HG2 ILE 52 HG21 ILE 52 -6.528 1.850 -3.182 440 2HG2 ILE 52 HG22 ILE 52 -6.901 0.199 -3.674 441 3HG2 ILE 52 HG23 ILE 52 -7.987 1.060 -2.585 442 1HD1 ILE 52 HD11 ILE 52 -8.474 3.320 -2.180 443 2HD1 ILE 52 HD12 ILE 52 -8.786 4.736 -3.181 444 3HD1 ILE 52 HD13 ILE 52 -7.285 3.834 -3.375 445 H ARG 53 HN ARG 53 -7.669 -0.277 -6.338 446 HA ARG 53 HA ARG 53 -5.072 -1.401 -5.809 447 1HB ARG 53 HB2 ARG 53 -5.991 -3.458 -6.757 448 2HB ARG 53 HB1 ARG 53 -7.168 -2.710 -5.677 449 1HG ARG 53 HG2 ARG 53 -8.134 -1.590 -7.773 450 2HG ARG 53 HG1 ARG 53 -7.155 -2.729 -8.696 451 1HD ARG 53 HD2 ARG 53 -8.263 -4.546 -7.173 452 2HD ARG 53 HD1 ARG 53 -9.457 -3.292 -6.842 453 HE ARG 53 HE ARG 53 -9.318 -3.298 -9.594 454 1HH1 ARG 53 HH21 ARG 53 -9.754 -5.680 -7.138 455 2HH1 ARG 53 HH22 ARG 53 -10.757 -6.697 -8.118 456 1HH2 ARG 53 HH11 ARG 53 -10.624 -4.614 -10.886 457 2HH2 ARG 53 HH12 ARG 53 -11.249 -6.094 -10.238 458 H HIS 54 HN HIS 54 -6.563 -0.091 -8.727 459 HA HIS 54 HA HIS 54 -4.773 -1.255 -10.621 460 1HB HIS 54 HB2 HIS 54 -6.785 0.027 -11.292 461 2HB HIS 54 HB1 HIS 54 -6.040 1.505 -10.681 462 HD1 HIS 54 HD1 HIS 54 -4.049 2.494 -12.025 463 HD2 HIS 54 HD2 HIS 54 -5.705 -0.919 -13.756 464 HE1 HIS 54 HE1 HIS 54 -3.112 2.355 -14.372 465 H ASN 55 HN ASN 55 -4.563 1.789 -8.772 466 HA ASN 55 HA ASN 55 -2.028 2.602 -9.786 467 1HB ASN 55 HB2 ASN 55 -3.497 4.101 -8.489 468 2HB ASN 55 HB1 ASN 55 -3.236 3.114 -7.049 469 1HD2 ASN 55 HD21 ASN 55 -1.695 5.430 -9.244 470 2HD2 ASN 55 HD22 ASN 55 -0.330 5.707 -8.274 471 H LEU 56 HN LEU 56 -2.863 0.579 -6.957 472 HA LEU 56 HA LEU 56 -0.218 0.306 -5.964 473 1HB LEU 56 HB2 LEU 56 -2.606 -1.535 -5.815 474 2HB LEU 56 HB1 LEU 56 -1.083 -1.902 -5.008 475 HG LEU 56 HG LEU 56 -2.661 0.658 -4.602 476 1HD1 LEU 56 HD11 LEU 56 -3.157 -0.406 -2.342 477 2HD1 LEU 56 HD12 LEU 56 -2.576 -1.925 -3.024 478 3HD1 LEU 56 HD13 LEU 56 -3.989 -1.130 -3.720 479 1HD2 LEU 56 HD21 LEU 56 -0.061 -0.412 -3.559 480 2HD2 LEU 56 HD22 LEU 56 -1.089 0.433 -2.410 481 3HD2 LEU 56 HD23 LEU 56 -0.551 1.251 -3.870 482 H SER 57 HN SER 57 -1.958 -1.615 -8.406 483 HA SER 57 HA SER 57 0.082 -3.587 -8.734 484 1HB SER 57 HB2 SER 57 -1.006 -3.925 -10.999 485 2HB SER 57 HB1 SER 57 -2.097 -4.026 -9.620 486 HG SER 57 HG SER 57 -2.546 -2.581 -11.612 487 H LEU 58 HN LEU 58 -0.540 -0.609 -10.658 488 HA LEU 58 HA LEU 58 1.826 -0.986 -12.276 489 1HB LEU 58 HB2 LEU 58 0.003 1.365 -11.767 490 2HB LEU 58 HB1 LEU 58 1.475 1.559 -12.713 491 HG LEU 58 HG LEU 58 0.638 -0.395 -14.149 492 1HD1 LEU 58 HD11 LEU 58 -1.853 -0.672 -14.101 493 2HD1 LEU 58 HD12 LEU 58 -1.888 0.271 -12.611 494 3HD1 LEU 58 HD13 LEU 58 -1.058 -1.285 -12.652 495 1HD2 LEU 58 HD21 LEU 58 -1.053 1.139 -15.313 496 2HD2 LEU 58 HD22 LEU 58 0.561 1.806 -15.064 497 3HD2 LEU 58 HD23 LEU 58 -0.764 2.281 -14.000 498 H ASN 59 HN ASN 59 1.150 0.902 -9.339 499 HA ASN 59 HA ASN 59 3.697 2.220 -9.281 500 1HB ASN 59 HB2 ASN 59 1.751 1.548 -7.057 501 2HB ASN 59 HB1 ASN 59 3.158 2.594 -6.858 502 1HD2 ASN 59 HD21 ASN 59 1.394 2.601 -9.910 503 2HD2 ASN 59 HD22 ASN 59 0.688 4.132 -9.711 504 H GLU 60 HN GLU 60 5.649 1.314 -8.926 505 HA GLU 60 HA GLU 60 5.815 -1.433 -7.882 506 1HB GLU 60 HB2 GLU 60 7.935 0.495 -8.875 507 2HB GLU 60 HB1 GLU 60 8.254 -1.166 -8.372 508 1HG GLU 60 HG2 GLU 60 6.682 -1.988 -10.098 509 2HG GLU 60 HG1 GLU 60 6.384 -0.327 -10.610 510 H CYS 61 HN CYS 61 5.837 1.698 -6.591 511 HA CYS 61 HA CYS 61 7.785 1.469 -4.516 512 1HB CYS 61 HB2 CYS 61 5.182 3.004 -4.690 513 2HB CYS 61 HB1 CYS 61 6.273 3.135 -3.310 514 HG CYS 61 HG CYS 61 6.730 4.390 -6.051 515 H PHE 62 HN PHE 62 4.385 0.473 -4.694 516 HA PHE 62 HA PHE 62 4.416 -0.581 -1.950 517 1HB PHE 62 HB2 PHE 62 2.404 -0.748 -4.215 518 2HB PHE 62 HB1 PHE 62 2.152 -1.498 -2.640 519 HD1 PHE 62 HD1 PHE 62 2.426 1.691 -4.466 520 HD2 PHE 62 HD2 PHE 62 1.746 -0.154 -0.647 521 HE1 PHE 62 HE1 PHE 62 1.581 3.846 -3.574 522 HE2 PHE 62 HE2 PHE 62 0.905 2.001 0.246 523 HZ PHE 62 HZ PHE 62 0.821 4.001 -1.219 524 H VAL 63 HN VAL 63 5.057 -2.648 -1.448 525 HA VAL 63 HA VAL 63 5.542 -4.550 -3.719 526 HB VAL 63 HB VAL 63 6.782 -4.458 -0.952 527 1HG1 VAL 63 HG11 VAL 63 6.691 -6.743 -1.622 528 2HG1 VAL 63 HG12 VAL 63 8.311 -6.203 -2.060 529 3HG1 VAL 63 HG13 VAL 63 7.065 -6.347 -3.299 530 1HG2 VAL 63 HG21 VAL 63 8.861 -3.978 -2.310 531 2HG2 VAL 63 HG22 VAL 63 7.665 -2.682 -2.344 532 3HG2 VAL 63 HG23 VAL 63 7.821 -3.776 -3.720 533 H LYS 64 HN LYS 64 4.089 -6.148 -3.853 534 HA LYS 64 HA LYS 64 2.370 -6.785 -1.544 535 1HB LYS 64 HB2 LYS 64 1.182 -8.242 -3.152 536 2HB LYS 64 HB1 LYS 64 1.357 -6.604 -3.775 537 1HG LYS 64 HG2 LYS 64 3.584 -7.577 -4.841 538 2HG LYS 64 HG1 LYS 64 2.762 -9.121 -4.632 539 1HD LYS 64 HD2 LYS 64 1.554 -6.741 -6.076 540 2HD LYS 64 HD1 LYS 64 2.403 -8.051 -6.883 541 1HE LYS 64 HE2 LYS 64 0.417 -9.201 -5.132 542 2HE LYS 64 HE1 LYS 64 -0.349 -7.983 -6.147 543 1HZ LYS 64 HZ1 LYS 64 -0.041 -9.202 -7.968 544 2HZ LYS 64 HZ2 LYS 64 0.201 -10.503 -6.902 545 3HZ LYS 64 HZ3 LYS 64 1.534 -9.661 -7.536 546 H VAL 65 HN VAL 65 2.321 -8.906 -0.584 547 HA VAL 65 HA VAL 65 4.843 -10.474 -1.010 548 HB VAL 65 HB VAL 65 3.235 -10.733 1.512 549 1HG1 VAL 65 HG11 VAL 65 5.346 -12.033 0.987 550 2HG1 VAL 65 HG12 VAL 65 5.398 -11.107 2.487 551 3HG1 VAL 65 HG13 VAL 65 6.217 -10.502 1.048 552 1HG2 VAL 65 HG21 VAL 65 4.971 -8.350 0.810 553 2HG2 VAL 65 HG22 VAL 65 4.464 -8.763 2.449 554 3HG2 VAL 65 HG23 VAL 65 3.259 -8.328 1.238 555 HA PRO 66 HA PRO 66 1.507 -13.240 -2.685 556 1HB PRO 66 HB2 PRO 66 4.052 -14.739 -3.247 557 2HB PRO 66 HB1 PRO 66 2.626 -14.518 -4.282 558 1HG PRO 66 HG2 PRO 66 4.832 -13.113 -4.711 559 2HG PRO 66 HG1 PRO 66 3.234 -12.365 -4.882 560 1HD PRO 66 HD2 PRO 66 5.244 -12.025 -2.692 561 2HD PRO 66 HD1 PRO 66 4.071 -10.854 -3.333 562 H ARG 67 HN ARG 67 0.524 -14.829 -1.472 563 HA ARG 67 HA ARG 67 1.499 -15.547 1.094 564 1HB ARG 67 HB2 ARG 67 -0.494 -17.027 -0.645 565 2HB ARG 67 HB1 ARG 67 -0.257 -17.289 1.083 566 1HG ARG 67 HG2 ARG 67 -0.738 -14.793 1.378 567 2HG ARG 67 HG1 ARG 67 -1.298 -14.810 -0.296 568 1HD ARG 67 HD2 ARG 67 -3.232 -15.177 1.090 569 2HD ARG 67 HD1 ARG 67 -2.829 -16.724 0.340 570 HE ARG 67 HE ARG 67 -1.455 -16.806 2.729 571 1HH1 ARG 67 HH21 ARG 67 -4.698 -16.128 1.773 572 2HH1 ARG 67 HH22 ARG 67 -5.398 -16.767 3.222 573 1HH2 ARG 67 HH11 ARG 67 -2.350 -17.644 4.623 574 2HH2 ARG 67 HH12 ARG 67 -4.069 -17.628 4.836 575 H ASP 68 HN ASP 68 2.354 -17.541 1.870 576 HA ASP 68 HA ASP 68 4.347 -18.733 0.154 577 1HB ASP 68 HB2 ASP 68 3.247 -19.605 2.849 578 2HB ASP 68 HB1 ASP 68 4.652 -20.329 2.065 579 H ASP 69 HN ASP 69 4.353 -20.964 -0.610 580 HA ASP 69 HA ASP 69 1.801 -21.799 -1.673 581 1HB ASP 69 HB2 ASP 69 4.502 -23.169 -1.538 582 2HB ASP 69 HB1 ASP 69 3.106 -23.861 -2.367 583 H LYS 70 HN LYS 70 3.482 -22.382 1.270 584 HA LYS 70 HA LYS 70 2.414 -24.933 1.980 585 1HB LYS 70 HB2 LYS 70 3.326 -22.579 3.657 586 2HB LYS 70 HB1 LYS 70 2.868 -24.139 4.346 587 1HG LYS 70 HG2 LYS 70 4.607 -25.273 3.098 588 2HG LYS 70 HG1 LYS 70 4.979 -23.807 2.201 589 1HD LYS 70 HD2 LYS 70 6.646 -24.058 3.938 590 2HD LYS 70 HD1 LYS 70 5.608 -22.697 4.356 591 1HE LYS 70 HE2 LYS 70 6.173 -24.387 6.226 592 2HE LYS 70 HE1 LYS 70 4.485 -23.916 6.040 593 1HZ LYS 70 HZ1 LYS 70 3.905 -25.954 5.343 594 2HZ LYS 70 HZ2 LYS 70 5.325 -26.442 6.140 595 3HZ LYS 70 HZ3 LYS 70 5.333 -26.194 4.459 596 H LYS 71 HN LYS 71 1.147 -21.632 2.433 597 HA LYS 71 HA LYS 71 -1.525 -22.818 3.043 598 1HB LYS 71 HB2 LYS 71 -0.666 -22.154 5.172 599 2HB LYS 71 HB1 LYS 71 -0.053 -20.635 4.530 600 1HG LYS 71 HG2 LYS 71 -2.144 -19.648 4.463 601 2HG LYS 71 HG1 LYS 71 -2.988 -21.176 4.255 602 1HD LYS 71 HD2 LYS 71 -1.546 -20.587 6.840 603 2HD LYS 71 HD1 LYS 71 -3.151 -19.918 6.556 604 1HE LYS 71 HE2 LYS 71 -3.958 -22.257 6.055 605 2HE LYS 71 HE1 LYS 71 -2.380 -22.851 6.570 606 1HZ LYS 71 HZ1 LYS 71 -3.306 -22.894 8.583 607 2HZ LYS 71 HZ2 LYS 71 -4.579 -21.859 8.142 608 3HZ LYS 71 HZ3 LYS 71 -3.073 -21.214 8.589 609 HA PRO 72 HA PRO 72 -1.886 -19.539 -0.182 610 1HB PRO 72 HB2 PRO 72 -3.141 -20.970 -2.085 611 2HB PRO 72 HB1 PRO 72 -1.399 -21.146 -1.803 612 1HG PRO 72 HG2 PRO 72 -3.635 -22.931 -0.976 613 2HG PRO 72 HG1 PRO 72 -2.006 -23.350 -1.530 614 1HD PRO 72 HD2 PRO 72 -2.835 -23.244 1.161 615 2HD PRO 72 HD1 PRO 72 -1.147 -23.252 0.605 616 H GLY 73 HN GLY 73 -3.885 -18.532 -1.117 617 1HA GLY 73 HA2 GLY 73 -6.525 -19.337 -0.699 618 2HA GLY 73 HA1 GLY 73 -6.057 -18.529 0.798 619 H LYS 74 HN LYS 74 -5.756 -16.286 0.787 620 HA LYS 74 HA LYS 74 -7.145 -14.818 -1.283 621 1HB LYS 74 HB2 LYS 74 -5.462 -13.933 1.076 622 2HB LYS 74 HB1 LYS 74 -6.324 -12.812 0.021 623 1HG LYS 74 HG2 LYS 74 -8.452 -13.939 0.554 624 2HG LYS 74 HG1 LYS 74 -7.595 -15.060 1.613 625 1HD LYS 74 HD2 LYS 74 -6.849 -13.170 3.014 626 2HD LYS 74 HD1 LYS 74 -7.710 -12.048 1.960 627 1HE LYS 74 HE2 LYS 74 -9.162 -12.470 3.820 628 2HE LYS 74 HE1 LYS 74 -9.819 -13.381 2.460 629 1HZ LYS 74 HZ1 LYS 74 -8.003 -15.065 3.635 630 2HZ LYS 74 HZ2 LYS 74 -9.695 -15.157 3.759 631 3HZ LYS 74 HZ3 LYS 74 -8.797 -14.332 4.942 632 H GLY 75 HN GLY 75 -6.170 -13.124 -2.623 633 1HA GLY 75 HA2 GLY 75 -4.081 -13.903 -4.254 634 2HA GLY 75 HA1 GLY 75 -4.488 -12.209 -3.993 635 H SER 76 HN SER 76 -3.131 -10.956 -2.683 636 HA SER 76 HA SER 76 -0.938 -12.325 -1.202 637 1HB SER 76 HB2 SER 76 -0.402 -10.090 -3.166 638 2HB SER 76 HB1 SER 76 0.783 -11.049 -2.288 639 HG SER 76 HG SER 76 -0.091 -12.890 -3.438 640 H TYR 77 HN TYR 77 0.158 -10.872 0.301 641 HA TYR 77 HA TYR 77 -1.668 -8.906 1.470 642 1HB TYR 77 HB2 TYR 77 1.157 -9.715 2.221 643 2HB TYR 77 HB1 TYR 77 0.144 -8.613 3.151 644 HD1 TYR 77 HD1 TYR 77 -2.041 -9.448 4.106 645 HD2 TYR 77 HD2 TYR 77 0.887 -12.072 2.384 646 HE1 TYR 77 HE1 TYR 77 -3.114 -11.382 5.231 647 HE2 TYR 77 HE2 TYR 77 -0.185 -14.007 3.505 648 HH TYR 77 HH TYR 77 -1.959 -14.698 4.675 649 H TRP 78 HN TRP 78 -0.908 -6.680 1.976 650 HA TRP 78 HA TRP 78 0.971 -5.593 -0.099 651 1HB TRP 78 HB2 TRP 78 -1.672 -4.513 0.904 652 2HB TRP 78 HB1 TRP 78 -0.489 -3.494 0.079 653 HD1 TRP 78 HD1 TRP 78 -3.014 -6.250 -0.525 654 HE1 TRP 78 HE1 TRP 78 -3.186 -6.700 -3.059 655 HE3 TRP 78 HE3 TRP 78 0.908 -3.435 -2.194 656 HZ2 TRP 78 HZ2 TRP 78 -1.832 -5.966 -5.477 657 HZ3 TRP 78 HZ3 TRP 78 1.445 -3.328 -4.608 658 HH2 TRP 78 HH2 TRP 78 0.082 -4.588 -6.252 659 H THR 79 HN THR 79 2.622 -4.420 0.717 660 HA THR 79 HA THR 79 2.360 -3.127 3.374 661 HB THR 79 HB THR 79 3.242 -5.273 4.006 662 HG1 THR 79 HG1 THR 79 5.007 -4.551 4.988 663 1HG2 THR 79 HG21 THR 79 3.943 -6.200 1.934 664 2HG2 THR 79 HG22 THR 79 5.415 -6.051 2.893 665 3HG2 THR 79 HG23 THR 79 5.063 -4.872 1.630 666 H LEU 80 HN LEU 80 4.192 -1.627 3.773 667 HA LEU 80 HA LEU 80 4.876 -0.166 1.361 668 1HB LEU 80 HB2 LEU 80 5.926 0.169 4.190 669 2HB LEU 80 HB1 LEU 80 6.058 1.351 2.889 670 HG LEU 80 HG LEU 80 3.438 0.303 3.999 671 1HD1 LEU 80 HD11 LEU 80 3.304 2.719 4.869 672 2HD1 LEU 80 HD12 LEU 80 5.042 2.797 4.580 673 3HD1 LEU 80 HD13 LEU 80 4.389 1.624 5.725 674 1HD2 LEU 80 HD21 LEU 80 2.674 2.492 2.760 675 2HD2 LEU 80 HD22 LEU 80 2.958 1.031 1.820 676 3HD2 LEU 80 HD23 LEU 80 4.182 2.301 1.865 677 H ASP 81 HN ASP 81 7.263 0.471 0.987 678 HA ASP 81 HA ASP 81 8.751 -1.701 0.144 679 1HB ASP 81 HB2 ASP 81 10.245 0.671 1.239 680 2HB ASP 81 HB1 ASP 81 10.485 -0.194 -0.279 681 HA PRO 82 HA PRO 82 10.598 -3.831 3.553 682 1HB PRO 82 HB2 PRO 82 13.347 -2.997 2.692 683 2HB PRO 82 HB1 PRO 82 12.713 -4.622 3.026 684 1HG PRO 82 HG2 PRO 82 13.088 -3.830 0.539 685 2HG PRO 82 HG1 PRO 82 11.644 -4.765 0.972 686 1HD PRO 82 HD2 PRO 82 11.896 -1.818 0.455 687 2HD PRO 82 HD1 PRO 82 10.595 -2.936 -0.017 688 H ASP 83 HN ASP 83 13.241 -3.115 4.743 689 HA ASP 83 HA ASP 83 12.285 -0.905 6.501 690 1HB ASP 83 HB2 ASP 83 14.434 -3.016 6.831 691 2HB ASP 83 HB1 ASP 83 14.191 -1.696 7.975 692 H SER 84 HN SER 84 13.518 -0.655 3.785 693 HA SER 84 HA SER 84 15.698 0.155 2.902 694 1HB SER 84 HB2 SER 84 13.613 2.140 3.735 695 2HB SER 84 HB1 SER 84 15.066 2.692 2.909 696 HG SER 84 HG SER 84 13.132 2.025 1.613 697 H TYR 85 HN TYR 85 16.919 -0.582 5.068 698 HA TYR 85 HA TYR 85 17.750 1.737 6.709 699 1HB TYR 85 HB2 TYR 85 17.373 -0.510 7.745 700 2HB TYR 85 HB1 TYR 85 18.707 -1.143 6.782 701 HD1 TYR 85 HD1 TYR 85 17.764 0.956 9.637 702 HD2 TYR 85 HD2 TYR 85 21.024 -0.391 7.185 703 HE1 TYR 85 HE1 TYR 85 19.378 1.765 11.338 704 HE2 TYR 85 HE2 TYR 85 22.637 0.417 8.886 705 HH TYR 85 HH TYR 85 21.558 2.224 11.731 706 H ASN 86 HN ASN 86 18.887 -0.262 4.073 707 HA ASN 86 HA ASN 86 21.576 1.018 4.150 708 1HB ASN 86 HB2 ASN 86 20.465 -1.254 2.483 709 2HB ASN 86 HB1 ASN 86 22.116 -0.643 2.370 710 1HD2 ASN 86 HD21 ASN 86 23.139 -0.449 4.792 711 2HD2 ASN 86 HD22 ASN 86 22.942 -1.847 5.733 712 H MET 87 HN MET 87 18.771 2.034 3.102 713 HA MET 87 HA MET 87 19.448 2.583 0.292 714 1HB MET 87 HB2 MET 87 17.131 3.332 2.077 715 2HB MET 87 HB1 MET 87 17.280 3.970 0.449 716 1HG MET 87 HG2 MET 87 17.024 1.065 1.272 717 2HG MET 87 HG1 MET 87 15.831 2.017 0.401 718 1HE MET 87 HE1 MET 87 18.360 3.547 -1.549 719 2HE MET 87 HE2 MET 87 16.608 3.388 -1.688 720 3HE MET 87 HE3 MET 87 17.650 2.740 -2.953 721 H PHE 88 HN PHE 88 20.737 4.181 -0.260 722 HA PHE 88 HA PHE 88 20.900 6.629 1.466 723 1HB PHE 88 HB2 PHE 88 23.219 6.855 0.668 724 2HB PHE 88 HB1 PHE 88 22.987 5.305 1.477 725 HD1 PHE 88 HD1 PHE 88 22.784 3.213 0.164 726 HD2 PHE 88 HD2 PHE 88 23.652 6.981 -1.708 727 HE1 PHE 88 HE1 PHE 88 23.519 2.027 -1.886 728 HE2 PHE 88 HE2 PHE 88 24.382 5.795 -3.758 729 HZ PHE 88 HZ PHE 88 24.317 3.318 -3.848 730 H GLU 89 HN GLU 89 19.135 5.924 -0.891 731 HA GLU 89 HA GLU 89 19.996 7.247 -3.236 732 1HB GLU 89 HB2 GLU 89 17.595 7.456 -3.789 733 2HB GLU 89 HB1 GLU 89 17.962 5.852 -3.153 734 1HG GLU 89 HG2 GLU 89 17.237 6.637 -0.889 735 2HG GLU 89 HG1 GLU 89 16.747 8.168 -1.617 736 H ASN 90 HN ASN 90 19.457 8.508 -0.209 737 HA ASN 90 HA ASN 90 19.375 11.295 -1.299 738 1HB ASN 90 HB2 ASN 90 17.806 10.201 1.054 739 2HB ASN 90 HB1 ASN 90 17.954 11.917 0.668 740 1HD2 ASN 90 HD21 ASN 90 17.779 11.799 -2.169 741 2HD2 ASN 90 HD22 ASN 90 16.234 11.245 -2.601 742 H GLY 91 HN GLY 91 20.743 12.727 -0.239 743 1HA GLY 91 HA2 GLY 91 22.964 11.684 1.203 744 2HA GLY 91 HA1 GLY 91 22.533 13.394 1.129 745 H SER 92 HN SER 92 19.928 13.143 2.301 746 HA SER 92 HA SER 92 20.562 13.360 5.065 747 1HB SER 92 HB2 SER 92 17.933 12.852 3.649 748 2HB SER 92 HB1 SER 92 18.056 13.154 5.380 749 HG SER 92 HG SER 92 18.096 14.895 3.338 750 H PHE 93 HN PHE 93 19.292 10.632 3.164 751 HA PHE 93 HA PHE 93 18.990 8.927 5.494 752 1HB PHE 93 HB2 PHE 93 17.982 8.840 2.972 753 2HB PHE 93 HB1 PHE 93 19.303 7.700 2.775 754 HD1 PHE 93 HD1 PHE 93 15.963 8.146 3.940 755 HD2 PHE 93 HD2 PHE 93 19.521 5.827 4.588 756 HE1 PHE 93 HE1 PHE 93 14.620 6.409 5.088 757 HE2 PHE 93 HE2 PHE 93 18.175 4.088 5.736 758 HZ PHE 93 HZ PHE 93 15.724 4.383 5.989 759 H LEU 94 HN LEU 94 21.436 9.858 5.895 760 HA LEU 94 HA LEU 94 23.127 7.496 5.665 761 1HB LEU 94 HB2 LEU 94 23.502 8.477 3.452 762 2HB LEU 94 HB1 LEU 94 23.878 10.035 4.183 763 HG LEU 94 HG LEU 94 25.849 9.071 5.285 764 1HD1 LEU 94 HD11 LEU 94 24.734 6.519 4.133 765 2HD1 LEU 94 HD12 LEU 94 25.364 6.829 5.751 766 3HD1 LEU 94 HD13 LEU 94 26.472 6.675 4.392 767 1HD2 LEU 94 HD21 LEU 94 27.187 8.667 3.270 768 2HD2 LEU 94 HD22 LEU 94 26.029 9.963 2.969 769 3HD2 LEU 94 HD23 LEU 94 25.723 8.343 2.342 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -21.352 19.801 3.591 2 2H MET 1 HT2 MET 1 -22.813 20.063 4.415 3 3H MET 1 HT3 MET 1 -22.729 20.301 2.735 4 HA MET 1 HA MET 1 -23.422 17.974 4.104 5 1HB MET 1 HB2 MET 1 -22.897 18.637 1.194 6 2HB MET 1 HB1 MET 1 -23.608 17.114 1.731 7 1HG MET 1 HG2 MET 1 -25.448 18.348 2.814 8 2HG MET 1 HG1 MET 1 -24.741 19.874 2.280 9 1HE MET 1 HE1 MET 1 -27.361 19.501 1.964 10 2HE MET 1 HE2 MET 1 -28.069 19.022 0.425 11 3HE MET 1 HE3 MET 1 -27.181 20.539 0.543 12 H LEU 2 HN LEU 2 -22.511 15.852 2.635 13 HA LEU 2 HA LEU 2 -19.921 15.357 3.821 14 1HB LEU 2 HB2 LEU 2 -21.314 13.771 1.645 15 2HB LEU 2 HB1 LEU 2 -20.038 13.195 2.718 16 HG LEU 2 HG LEU 2 -22.814 14.081 3.563 17 1HD1 LEU 2 HD11 LEU 2 -22.512 11.831 2.369 18 2HD1 LEU 2 HD12 LEU 2 -23.271 11.779 3.959 19 3HD1 LEU 2 HD13 LEU 2 -21.575 11.332 3.777 20 1HD2 LEU 2 HD21 LEU 2 -21.461 14.619 5.406 21 2HD2 LEU 2 HD22 LEU 2 -20.341 13.293 5.099 22 3HD2 LEU 2 HD23 LEU 2 -21.936 12.963 5.772 23 H VAL 3 HN VAL 3 -17.905 15.364 2.865 24 HA VAL 3 HA VAL 3 -17.690 15.999 -0.040 25 HB VAL 3 HB VAL 3 -16.030 17.762 0.433 26 1HG1 VAL 3 HG11 VAL 3 -18.569 18.296 1.996 27 2HG1 VAL 3 HG12 VAL 3 -18.510 18.258 0.234 28 3HG1 VAL 3 HG13 VAL 3 -17.581 19.466 1.121 29 1HG2 VAL 3 HG21 VAL 3 -16.713 17.055 3.294 30 2HG2 VAL 3 HG22 VAL 3 -15.989 18.604 2.860 31 3HG2 VAL 3 HG23 VAL 3 -15.121 17.103 2.536 32 H LYS 4 HN LYS 4 -15.717 15.230 -0.958 33 HA LYS 4 HA LYS 4 -14.503 13.042 0.505 34 1HB LYS 4 HB2 LYS 4 -13.612 14.320 -2.100 35 2HB LYS 4 HB1 LYS 4 -13.125 12.737 -1.499 36 1HG LYS 4 HG2 LYS 4 -15.959 13.558 -2.203 37 2HG LYS 4 HG1 LYS 4 -14.914 12.532 -3.184 38 1HD LYS 4 HD2 LYS 4 -14.753 11.073 -0.993 39 2HD LYS 4 HD1 LYS 4 -16.235 11.921 -0.548 40 1HE LYS 4 HE2 LYS 4 -16.971 9.959 -1.661 41 2HE LYS 4 HE1 LYS 4 -17.125 11.244 -2.860 42 1HZ LYS 4 HZ1 LYS 4 -14.563 10.368 -3.152 43 2HZ LYS 4 HZ2 LYS 4 -15.875 9.962 -4.154 44 3HZ LYS 4 HZ3 LYS 4 -15.432 8.938 -2.873 45 HA PRO 5 HA PRO 5 -11.291 15.455 2.423 46 1HB PRO 5 HB2 PRO 5 -9.445 13.547 2.958 47 2HB PRO 5 HB1 PRO 5 -10.995 13.622 3.813 48 1HG PRO 5 HG2 PRO 5 -10.207 11.909 1.494 49 2HG PRO 5 HG1 PRO 5 -11.068 11.458 2.977 50 1HD PRO 5 HD2 PRO 5 -12.381 11.930 0.641 51 2HD PRO 5 HD1 PRO 5 -13.098 12.318 2.221 52 HA PRO 6 HA PRO 6 -8.283 16.433 -0.701 53 1HB PRO 6 HB2 PRO 6 -6.301 17.604 0.727 54 2HB PRO 6 HB1 PRO 6 -7.910 18.340 0.583 55 1HG PRO 6 HG2 PRO 6 -6.779 16.715 2.824 56 2HG PRO 6 HG1 PRO 6 -7.702 18.227 2.892 57 1HD PRO 6 HD2 PRO 6 -8.852 15.772 3.307 58 2HD PRO 6 HD1 PRO 6 -9.742 17.151 2.621 59 H TYR 7 HN TYR 7 -7.655 13.938 1.494 60 HA TYR 7 HA TYR 7 -4.865 13.468 1.013 61 1HB TYR 7 HB2 TYR 7 -6.999 11.374 1.525 62 2HB TYR 7 HB1 TYR 7 -5.273 11.209 1.824 63 HD1 TYR 7 HD1 TYR 7 -8.247 11.626 3.473 64 HD2 TYR 7 HD2 TYR 7 -4.364 13.455 3.254 65 HE1 TYR 7 HE1 TYR 7 -8.579 12.597 5.724 66 HE2 TYR 7 HE2 TYR 7 -4.695 14.419 5.509 67 HH TYR 7 HH TYR 7 -7.134 13.407 7.604 68 H SER 8 HN SER 8 -3.849 12.444 -0.698 69 HA SER 8 HA SER 8 -5.406 12.079 -3.145 70 1HB SER 8 HB2 SER 8 -2.504 11.405 -2.559 71 2HB SER 8 HB1 SER 8 -3.247 11.466 -4.155 72 HG SER 8 HG SER 8 -3.319 13.660 -2.376 73 H TYR 9 HN TYR 9 -5.118 9.912 -4.366 74 HA TYR 9 HA TYR 9 -6.215 7.807 -2.792 75 1HB TYR 9 HB2 TYR 9 -4.794 7.744 -5.471 76 2HB TYR 9 HB1 TYR 9 -5.615 6.351 -4.766 77 HD1 TYR 9 HD1 TYR 9 -8.085 6.633 -4.089 78 HD2 TYR 9 HD2 TYR 9 -6.021 9.359 -6.687 79 HE1 TYR 9 HE1 TYR 9 -10.258 7.466 -4.936 80 HE2 TYR 9 HE2 TYR 9 -8.196 10.196 -7.535 81 HH TYR 9 HH TYR 9 -10.531 9.390 -7.719 82 H ILE 10 HN ILE 10 -2.897 8.559 -3.747 83 HA ILE 10 HA ILE 10 -1.650 6.171 -2.826 84 HB ILE 10 HB ILE 10 -0.516 8.985 -2.736 85 1HG1 ILE 10 HG12 ILE 10 -1.378 8.609 -4.965 86 2HG1 ILE 10 HG11 ILE 10 0.370 8.409 -5.022 87 1HG2 ILE 10 HG21 ILE 10 0.959 7.504 -1.608 88 2HG2 ILE 10 HG22 ILE 10 1.617 7.648 -3.237 89 3HG2 ILE 10 HG23 ILE 10 0.692 6.217 -2.782 90 1HD1 ILE 10 HD11 ILE 10 -0.403 6.555 -6.232 91 2HD1 ILE 10 HD12 ILE 10 -1.775 6.301 -5.156 92 3HD1 ILE 10 HD13 ILE 10 -0.146 5.878 -4.624 93 H ALA 11 HN ALA 11 -2.303 9.242 -1.121 94 HA ALA 11 HA ALA 11 -1.131 8.446 1.368 95 1HB ALA 11 HB1 ALA 11 -2.673 10.280 2.300 96 2HB ALA 11 HB2 ALA 11 -3.226 10.504 0.641 97 3HB ALA 11 HB3 ALA 11 -1.531 10.775 1.050 98 H LEU 12 HN LEU 12 -4.488 8.202 0.161 99 HA LEU 12 HA LEU 12 -5.604 7.234 2.603 100 1HB LEU 12 HB2 LEU 12 -6.412 6.641 -0.263 101 2HB LEU 12 HB1 LEU 12 -7.397 6.278 1.153 102 HG LEU 12 HG LEU 12 -6.417 9.057 0.417 103 1HD1 LEU 12 HD11 LEU 12 -9.109 7.718 0.005 104 2HD1 LEU 12 HD12 LEU 12 -8.001 8.259 -1.256 105 3HD1 LEU 12 HD13 LEU 12 -8.804 9.440 -0.221 106 1HD2 LEU 12 HD21 LEU 12 -6.857 9.168 2.707 107 2HD2 LEU 12 HD22 LEU 12 -8.104 7.923 2.642 108 3HD2 LEU 12 HD23 LEU 12 -8.446 9.548 2.051 109 H ILE 13 HN ILE 13 -4.019 5.567 -0.093 110 HA ILE 13 HA ILE 13 -4.435 2.898 0.880 111 HB ILE 13 HB ILE 13 -2.226 4.084 -0.831 112 1HG1 ILE 13 HG12 ILE 13 -4.597 2.374 -1.633 113 2HG1 ILE 13 HG11 ILE 13 -4.636 4.134 -1.669 114 1HG2 ILE 13 HG21 ILE 13 -1.369 2.044 0.093 115 2HG2 ILE 13 HG22 ILE 13 -1.933 1.651 -1.531 116 3HG2 ILE 13 HG23 ILE 13 -2.912 1.220 -0.129 117 1HD1 ILE 13 HD11 ILE 13 -2.502 3.972 -3.115 118 2HD1 ILE 13 HD12 ILE 13 -4.024 3.512 -3.874 119 3HD1 ILE 13 HD13 ILE 13 -2.912 2.268 -3.302 120 H THR 14 HN THR 14 -1.864 5.290 1.358 121 HA THR 14 HA THR 14 -0.140 3.657 2.944 122 HB THR 14 HB THR 14 -0.485 6.666 2.972 123 HG1 THR 14 HG1 THR 14 0.423 6.507 1.106 124 1HG2 THR 14 HG21 THR 14 1.925 6.555 3.760 125 2HG2 THR 14 HG22 THR 14 1.676 4.830 4.024 126 3HG2 THR 14 HG23 THR 14 0.729 6.006 4.933 127 H MET 15 HN MET 15 -2.813 5.819 3.829 128 HA MET 15 HA MET 15 -2.425 5.620 6.667 129 1HB MET 15 HB2 MET 15 -4.867 6.274 4.997 130 2HB MET 15 HB1 MET 15 -4.847 6.359 6.758 131 1HG MET 15 HG2 MET 15 -2.987 7.971 6.668 132 2HG MET 15 HG1 MET 15 -2.998 7.894 4.907 133 1HE MET 15 HE1 MET 15 -3.344 10.556 6.810 134 2HE MET 15 HE2 MET 15 -4.407 11.422 5.703 135 3HE MET 15 HE3 MET 15 -3.073 10.464 5.066 136 H ALA 16 HN ALA 16 -4.328 3.749 4.350 137 HA ALA 16 HA ALA 16 -5.758 2.138 6.198 138 1HB ALA 16 HB1 ALA 16 -4.734 1.526 3.414 139 2HB ALA 16 HB2 ALA 16 -6.322 2.162 3.840 140 3HB ALA 16 HB3 ALA 16 -5.884 0.512 4.289 141 H ILE 17 HN ILE 17 -2.526 1.678 4.761 142 HA ILE 17 HA ILE 17 -2.094 -0.914 5.957 143 HB ILE 17 HB ILE 17 -0.032 1.143 5.098 144 1HG1 ILE 17 HG12 ILE 17 -1.144 -1.158 3.475 145 2HG1 ILE 17 HG11 ILE 17 -1.795 0.477 3.374 146 1HG2 ILE 17 HG21 ILE 17 0.908 -0.675 6.456 147 2HG2 ILE 17 HG22 ILE 17 1.384 -0.885 4.771 148 3HG2 ILE 17 HG23 ILE 17 0.090 -1.871 5.450 149 1HD1 ILE 17 HD11 ILE 17 1.082 -0.312 2.833 150 2HD1 ILE 17 HD12 ILE 17 0.442 1.331 2.766 151 3HD1 ILE 17 HD13 ILE 17 -0.118 0.120 1.613 152 H GLN 18 HN GLN 18 -1.000 2.356 6.827 153 HA GLN 18 HA GLN 18 0.348 1.566 9.231 154 1HB GLN 18 HB2 GLN 18 -0.832 4.215 8.358 155 2HB GLN 18 HB1 GLN 18 0.108 4.012 9.837 156 1HG GLN 18 HG2 GLN 18 2.027 3.207 8.535 157 2HG GLN 18 HG1 GLN 18 1.089 3.343 7.047 158 1HE2 GLN 18 HE21 GLN 18 3.544 4.844 7.552 159 2HE2 GLN 18 HE22 GLN 18 3.129 6.489 7.591 160 H ASN 19 HN ASN 19 -2.982 2.689 8.645 161 HA ASN 19 HA ASN 19 -3.622 2.612 11.500 162 1HB ASN 19 HB2 ASN 19 -5.313 3.023 9.024 163 2HB ASN 19 HB1 ASN 19 -5.960 3.063 10.666 164 1HD2 ASN 19 HD21 ASN 19 -4.159 4.883 8.291 165 2HD2 ASN 19 HD22 ASN 19 -3.893 6.256 9.253 166 H ALA 20 HN ALA 20 -3.433 0.255 9.054 167 HA ALA 20 HA ALA 20 -5.632 -1.398 10.028 168 1HB ALA 20 HB1 ALA 20 -5.055 -1.759 7.750 169 2HB ALA 20 HB2 ALA 20 -4.422 -3.173 8.592 170 3HB ALA 20 HB3 ALA 20 -3.333 -1.867 8.121 171 HA PRO 21 HA PRO 21 -3.512 -3.243 13.465 172 1HB PRO 21 HB2 PRO 21 -4.352 -5.911 13.194 173 2HB PRO 21 HB1 PRO 21 -5.250 -4.634 14.029 174 1HG PRO 21 HG2 PRO 21 -5.629 -5.721 11.289 175 2HG PRO 21 HG1 PRO 21 -6.830 -5.123 12.444 176 1HD PRO 21 HD2 PRO 21 -6.038 -3.661 10.293 177 2HD PRO 21 HD1 PRO 21 -6.512 -2.898 11.828 178 H GLU 22 HN GLU 22 -3.512 -5.512 10.689 179 HA GLU 22 HA GLU 22 -0.577 -5.948 11.122 180 1HB GLU 22 HB2 GLU 22 -2.666 -7.566 9.625 181 2HB GLU 22 HB1 GLU 22 -0.940 -7.910 9.580 182 1HG GLU 22 HG2 GLU 22 -1.725 -9.331 11.280 183 2HG GLU 22 HG1 GLU 22 -1.083 -7.956 12.172 184 H LYS 23 HN LYS 23 0.775 -4.986 9.639 185 HA LYS 23 HA LYS 23 -0.247 -3.303 7.584 186 1HB LYS 23 HB2 LYS 23 2.510 -4.501 7.961 187 2HB LYS 23 HB1 LYS 23 2.123 -3.324 6.705 188 1HG LYS 23 HG2 LYS 23 1.274 -1.777 8.492 189 2HG LYS 23 HG1 LYS 23 1.827 -2.936 9.694 190 1HD LYS 23 HD2 LYS 23 3.683 -1.558 9.622 191 2HD LYS 23 HD1 LYS 23 4.130 -2.709 8.368 192 1HE LYS 23 HE2 LYS 23 2.704 -0.090 7.820 193 2HE LYS 23 HE1 LYS 23 4.449 -0.298 7.728 194 1HZ LYS 23 HZ1 LYS 23 3.614 -0.600 5.561 195 2HZ LYS 23 HZ2 LYS 23 2.385 -1.648 6.089 196 3HZ LYS 23 HZ3 LYS 23 4.007 -2.149 6.130 197 H LYS 24 HN LYS 24 0.558 -6.722 7.613 198 HA LYS 24 HA LYS 24 0.443 -6.959 4.696 199 1HB LYS 24 HB2 LYS 24 0.382 -9.019 6.919 200 2HB LYS 24 HB1 LYS 24 0.320 -9.440 5.209 201 1HG LYS 24 HG2 LYS 24 2.478 -8.294 4.850 202 2HG LYS 24 HG1 LYS 24 2.541 -7.881 6.564 203 1HD LYS 24 HD2 LYS 24 2.521 -10.283 7.143 204 2HD LYS 24 HD1 LYS 24 2.464 -10.692 5.426 205 1HE LYS 24 HE2 LYS 24 4.642 -9.816 5.038 206 2HE LYS 24 HE1 LYS 24 4.666 -8.977 6.589 207 1HZ LYS 24 HZ1 LYS 24 5.789 -11.358 6.175 208 2HZ LYS 24 HZ2 LYS 24 4.255 -11.845 6.720 209 3HZ LYS 24 HZ3 LYS 24 5.223 -10.837 7.688 210 H ILE 25 HN ILE 25 -1.573 -5.855 4.399 211 HA ILE 25 HA ILE 25 -4.018 -7.384 5.213 212 HB ILE 25 HB ILE 25 -3.886 -5.032 6.006 213 1HG1 ILE 25 HG12 ILE 25 -5.915 -5.291 3.770 214 2HG1 ILE 25 HG11 ILE 25 -6.072 -6.126 5.316 215 1HG2 ILE 25 HG21 ILE 25 -3.757 -3.200 4.472 216 2HG2 ILE 25 HG22 ILE 25 -3.962 -4.263 3.080 217 3HG2 ILE 25 HG23 ILE 25 -2.468 -4.312 4.015 218 1HD1 ILE 25 HD11 ILE 25 -5.658 -3.135 5.163 219 2HD1 ILE 25 HD12 ILE 25 -6.249 -4.089 6.524 220 3HD1 ILE 25 HD13 ILE 25 -7.265 -3.856 5.102 221 H THR 26 HN THR 26 -5.549 -7.866 3.556 222 HA THR 26 HA THR 26 -4.378 -8.169 0.896 223 HB THR 26 HB THR 26 -6.401 -9.364 0.347 224 HG1 THR 26 HG1 THR 26 -7.472 -7.614 2.011 225 1HG2 THR 26 HG21 THR 26 -5.746 -9.853 3.266 226 2HG2 THR 26 HG22 THR 26 -4.839 -10.505 1.901 227 3HG2 THR 26 HG23 THR 26 -6.511 -11.001 2.166 228 H LEU 27 HN LEU 27 -5.496 -7.330 -1.066 229 HA LEU 27 HA LEU 27 -5.903 -4.524 -0.929 230 1HB LEU 27 HB2 LEU 27 -5.237 -5.668 -2.997 231 2HB LEU 27 HB1 LEU 27 -6.782 -6.506 -3.053 232 HG LEU 27 HG LEU 27 -7.977 -4.446 -3.457 233 1HD1 LEU 27 HD11 LEU 27 -6.520 -2.304 -3.733 234 2HD1 LEU 27 HD12 LEU 27 -5.337 -3.164 -2.748 235 3HD1 LEU 27 HD13 LEU 27 -6.941 -2.818 -2.102 236 1HD2 LEU 27 HD21 LEU 27 -5.442 -4.714 -5.092 237 2HD2 LEU 27 HD22 LEU 27 -6.753 -3.624 -5.530 238 3HD2 LEU 27 HD23 LEU 27 -7.038 -5.363 -5.463 239 H ASN 28 HN ASN 28 -8.220 -7.212 -1.041 240 HA ASN 28 HA ASN 28 -10.579 -5.631 -1.135 241 1HB ASN 28 HB2 ASN 28 -10.054 -8.376 0.016 242 2HB ASN 28 HB1 ASN 28 -11.665 -7.662 -0.056 243 1HD2 ASN 28 HD21 ASN 28 -10.871 -10.050 -1.542 244 2HD2 ASN 28 HD22 ASN 28 -10.981 -9.672 -3.193 245 H GLY 29 HN GLY 29 -8.626 -6.760 1.590 246 1HA GLY 29 HA2 GLY 29 -10.344 -5.892 3.685 247 2HA GLY 29 HA1 GLY 29 -8.597 -6.081 3.833 248 H ILE 30 HN ILE 30 -7.923 -4.159 1.771 249 HA ILE 30 HA ILE 30 -7.807 -1.795 3.345 250 HB ILE 30 HB ILE 30 -7.440 -2.211 0.369 251 1HG1 ILE 30 HG12 ILE 30 -5.428 -1.749 2.594 252 2HG1 ILE 30 HG11 ILE 30 -5.870 -3.345 1.994 253 1HG2 ILE 30 HG21 ILE 30 -7.931 0.108 0.592 254 2HG2 ILE 30 HG22 ILE 30 -6.170 0.022 0.595 255 3HG2 ILE 30 HG23 ILE 30 -7.046 0.229 2.111 256 1HD1 ILE 30 HD11 ILE 30 -4.378 -1.144 0.585 257 2HD1 ILE 30 HD12 ILE 30 -5.241 -2.362 -0.352 258 3HD1 ILE 30 HD13 ILE 30 -3.949 -2.846 0.744 259 H TYR 31 HN TYR 31 -10.074 -2.690 0.703 260 HA TYR 31 HA TYR 31 -11.363 -0.149 0.576 261 1HB TYR 31 HB2 TYR 31 -12.715 -2.839 0.249 262 2HB TYR 31 HB1 TYR 31 -13.309 -1.307 -0.356 263 HD1 TYR 31 HD1 TYR 31 -11.029 -0.029 -1.645 264 HD2 TYR 31 HD2 TYR 31 -12.137 -4.176 -1.541 265 HE1 TYR 31 HE1 TYR 31 -9.804 -0.410 -3.759 266 HE2 TYR 31 HE2 TYR 31 -10.870 -4.566 -3.637 267 HH TYR 31 HH TYR 31 -9.314 -3.660 -5.026 268 H GLN 32 HN GLN 32 -11.925 -2.938 2.672 269 HA GLN 32 HA GLN 32 -14.300 -2.018 3.923 270 1HB GLN 32 HB2 GLN 32 -13.312 -4.307 4.129 271 2HB GLN 32 HB1 GLN 32 -12.060 -3.635 5.172 272 1HG GLN 32 HG2 GLN 32 -13.727 -2.937 6.802 273 2HG GLN 32 HG1 GLN 32 -15.034 -3.459 5.736 274 1HE2 GLN 32 HE21 GLN 32 -15.659 -4.965 7.564 275 2HE2 GLN 32 HE22 GLN 32 -14.826 -6.434 7.737 276 H PHE 33 HN PHE 33 -10.886 -1.380 4.713 277 HA PHE 33 HA PHE 33 -11.433 0.089 7.120 278 1HB PHE 33 HB2 PHE 33 -9.211 -0.795 6.654 279 2HB PHE 33 HB1 PHE 33 -9.080 0.219 5.217 280 HD1 PHE 33 HD1 PHE 33 -9.254 0.235 8.918 281 HD2 PHE 33 HD2 PHE 33 -8.562 2.562 5.374 282 HE1 PHE 33 HE1 PHE 33 -8.361 2.085 10.307 283 HE2 PHE 33 HE2 PHE 33 -7.672 4.413 6.762 284 HZ PHE 33 HZ PHE 33 -7.569 4.173 9.229 285 H ILE 34 HN ILE 34 -10.843 1.189 3.767 286 HA ILE 34 HA ILE 34 -11.022 3.975 4.284 287 HB ILE 34 HB ILE 34 -11.665 2.349 1.812 288 1HG1 ILE 34 HG12 ILE 34 -9.334 4.201 2.346 289 2HG1 ILE 34 HG11 ILE 34 -9.294 2.499 2.812 290 1HG2 ILE 34 HG21 ILE 34 -11.341 4.650 0.674 291 2HG2 ILE 34 HG22 ILE 34 -11.660 5.337 2.267 292 3HG2 ILE 34 HG23 ILE 34 -12.887 4.355 1.469 293 1HD1 ILE 34 HD11 ILE 34 -9.713 3.586 0.013 294 2HD1 ILE 34 HD12 ILE 34 -9.811 1.879 0.453 295 3HD1 ILE 34 HD13 ILE 34 -8.282 2.745 0.611 296 H MET 35 HN MET 35 -13.627 1.741 3.202 297 HA MET 35 HA MET 35 -15.657 3.748 3.222 298 1HB MET 35 HB2 MET 35 -15.812 0.747 3.560 299 2HB MET 35 HB1 MET 35 -17.240 1.776 3.445 300 1HG MET 35 HG2 MET 35 -16.425 2.635 1.265 301 2HG MET 35 HG1 MET 35 -15.035 1.557 1.372 302 1HE MET 35 HE1 MET 35 -16.227 -1.278 2.476 303 2HE MET 35 HE2 MET 35 -14.983 -0.772 1.334 304 3HE MET 35 HE3 MET 35 -16.237 -1.895 0.820 305 H ASP 36 HN ASP 36 -14.486 1.566 5.766 306 HA ASP 36 HA ASP 36 -16.449 2.223 7.725 307 1HB ASP 36 HB2 ASP 36 -13.574 1.321 7.983 308 2HB ASP 36 HB1 ASP 36 -14.661 1.492 9.362 309 H ARG 37 HN ARG 37 -13.181 3.643 7.204 310 HA ARG 37 HA ARG 37 -13.542 5.615 9.282 311 1HB ARG 37 HB2 ARG 37 -11.294 4.974 8.519 312 2HB ARG 37 HB1 ARG 37 -11.641 5.625 6.917 313 1HG ARG 37 HG2 ARG 37 -11.878 7.867 7.809 314 2HG ARG 37 HG1 ARG 37 -11.745 7.269 9.460 315 1HD ARG 37 HD2 ARG 37 -9.488 6.667 7.583 316 2HD ARG 37 HD1 ARG 37 -9.641 8.311 8.190 317 HE ARG 37 HE ARG 37 -9.877 6.692 10.451 318 1HH1 ARG 37 HH21 ARG 37 -7.636 7.157 7.875 319 2HH1 ARG 37 HH22 ARG 37 -6.250 6.746 8.827 320 1HH2 ARG 37 HH11 ARG 37 -8.082 6.159 11.714 321 2HH2 ARG 37 HH12 ARG 37 -6.502 6.183 11.005 322 H PHE 38 HN PHE 38 -13.483 6.021 5.715 323 HA PHE 38 HA PHE 38 -15.006 8.556 6.051 324 1HB PHE 38 HB2 PHE 38 -13.743 7.418 3.545 325 2HB PHE 38 HB1 PHE 38 -14.333 9.062 3.787 326 HD1 PHE 38 HD1 PHE 38 -13.135 10.614 5.313 327 HD2 PHE 38 HD2 PHE 38 -11.626 6.689 4.435 328 HE1 PHE 38 HE1 PHE 38 -10.914 11.268 6.204 329 HE2 PHE 38 HE2 PHE 38 -9.408 7.342 5.329 330 HZ PHE 38 HZ PHE 38 -9.052 9.632 6.213 331 HA PRO 39 HA PRO 39 -18.435 5.865 4.680 332 1HB PRO 39 HB2 PRO 39 -20.507 7.419 5.442 333 2HB PRO 39 HB1 PRO 39 -19.515 6.545 6.627 334 1HG PRO 39 HG2 PRO 39 -19.411 9.422 5.834 335 2HG PRO 39 HG1 PRO 39 -19.292 8.696 7.447 336 1HD PRO 39 HD2 PRO 39 -17.103 9.509 5.953 337 2HD PRO 39 HD1 PRO 39 -17.028 8.268 7.225 338 H PHE 40 HN PHE 40 -17.540 8.947 3.508 339 HA PHE 40 HA PHE 40 -19.663 9.525 1.700 340 1HB PHE 40 HB2 PHE 40 -16.842 10.061 0.827 341 2HB PHE 40 HB1 PHE 40 -18.244 11.127 0.804 342 HD1 PHE 40 HD1 PHE 40 -15.188 11.152 2.080 343 HD2 PHE 40 HD2 PHE 40 -19.221 11.005 3.564 344 HE1 PHE 40 HE1 PHE 40 -14.447 12.190 4.207 345 HE2 PHE 40 HE2 PHE 40 -18.471 12.034 5.694 346 HZ PHE 40 HZ PHE 40 -16.087 12.628 6.013 347 H TYR 41 HN TYR 41 -16.845 7.431 1.433 348 HA TYR 41 HA TYR 41 -17.068 6.791 -1.332 349 1HB TYR 41 HB2 TYR 41 -15.893 5.275 1.005 350 2HB TYR 41 HB1 TYR 41 -15.713 4.768 -0.677 351 HD1 TYR 41 HD1 TYR 41 -14.149 5.833 -2.124 352 HD2 TYR 41 HD2 TYR 41 -15.082 7.571 1.683 353 HE1 TYR 41 HE1 TYR 41 -12.304 7.457 -2.424 354 HE2 TYR 41 HE2 TYR 41 -13.238 9.200 1.403 355 HH TYR 41 HH TYR 41 -11.344 9.316 -1.613 356 H ARG 42 HN ARG 42 -18.785 5.512 1.475 357 HA ARG 42 HA ARG 42 -19.696 3.081 0.310 358 1HB ARG 42 HB2 ARG 42 -21.010 4.928 2.321 359 2HB ARG 42 HB1 ARG 42 -21.677 3.360 1.872 360 1HG ARG 42 HG2 ARG 42 -19.595 2.260 2.599 361 2HG ARG 42 HG1 ARG 42 -18.924 3.828 3.053 362 1HD ARG 42 HD2 ARG 42 -20.748 4.148 4.678 363 2HD ARG 42 HD1 ARG 42 -21.442 2.595 4.215 364 HE ARG 42 HE ARG 42 -18.834 1.985 4.964 365 1HH1 ARG 42 HH21 ARG 42 -21.527 3.637 6.346 366 2HH1 ARG 42 HH22 ARG 42 -21.133 3.194 7.974 367 1HH2 ARG 42 HH11 ARG 42 -18.307 1.395 7.083 368 2HH2 ARG 42 HH12 ARG 42 -19.311 1.927 8.390 369 H GLU 43 HN GLU 43 -20.987 6.393 0.106 370 HA GLU 43 HA GLU 43 -23.365 5.740 -1.320 371 1HB GLU 43 HB2 GLU 43 -21.672 8.247 -1.377 372 2HB GLU 43 HB1 GLU 43 -23.283 8.122 -2.085 373 1HG GLU 43 HG2 GLU 43 -24.212 7.525 0.121 374 2HG GLU 43 HG1 GLU 43 -22.604 7.654 0.833 375 H ASN 44 HN ASN 44 -20.119 6.439 -2.382 376 HA ASN 44 HA ASN 44 -20.844 5.612 -5.180 377 1HB ASN 44 HB2 ASN 44 -18.654 7.436 -4.138 378 2HB ASN 44 HB1 ASN 44 -18.741 6.867 -5.806 379 1HD2 ASN 44 HD21 ASN 44 -19.061 9.676 -4.761 380 2HD2 ASN 44 HD22 ASN 44 -20.589 10.183 -5.301 381 H LYS 45 HN LYS 45 -20.357 3.432 -5.206 382 HA LYS 45 HA LYS 45 -17.858 2.502 -3.892 383 1HB LYS 45 HB2 LYS 45 -20.248 1.048 -5.027 384 2HB LYS 45 HB1 LYS 45 -18.802 0.228 -4.432 385 1HG LYS 45 HG2 LYS 45 -19.098 1.165 -2.221 386 2HG LYS 45 HG1 LYS 45 -20.409 2.198 -2.784 387 1HD LYS 45 HD2 LYS 45 -21.405 0.312 -1.657 388 2HD LYS 45 HD1 LYS 45 -21.694 0.115 -3.385 389 1HE LYS 45 HE2 LYS 45 -20.039 -1.567 -3.585 390 2HE LYS 45 HE1 LYS 45 -19.299 -1.142 -2.042 391 1HZ LYS 45 HZ1 LYS 45 -20.677 -2.488 -0.978 392 2HZ LYS 45 HZ2 LYS 45 -21.215 -3.063 -2.483 393 3HZ LYS 45 HZ3 LYS 45 -22.040 -1.795 -1.713 394 H GLN 46 HN GLN 46 -19.341 2.790 -7.076 395 HA GLN 46 HA GLN 46 -17.080 1.369 -8.344 396 1HB GLN 46 HB2 GLN 46 -19.578 2.685 -9.431 397 2HB GLN 46 HB1 GLN 46 -18.344 1.952 -10.456 398 1HG GLN 46 HG2 GLN 46 -18.689 -0.213 -9.460 399 2HG GLN 46 HG1 GLN 46 -19.727 0.466 -8.206 400 1HE2 GLN 46 HE21 GLN 46 -20.673 -1.614 -9.943 401 2HE2 GLN 46 HE22 GLN 46 -21.888 -0.966 -10.935 402 H GLY 47 HN GLY 47 -15.426 2.360 -9.390 403 1HA GLY 47 HA2 GLY 47 -14.596 4.273 -10.735 404 2HA GLY 47 HA1 GLY 47 -15.467 5.348 -9.646 405 H TRP 48 HN TRP 48 -14.767 4.928 -7.205 406 HA TRP 48 HA TRP 48 -11.933 5.519 -7.119 407 1HB TRP 48 HB2 TRP 48 -12.226 5.925 -4.807 408 2HB TRP 48 HB1 TRP 48 -13.724 6.446 -5.567 409 HD1 TRP 48 HD1 TRP 48 -15.914 5.015 -5.104 410 HE1 TRP 48 HE1 TRP 48 -16.475 3.298 -3.277 411 HE3 TRP 48 HE3 TRP 48 -11.217 3.951 -3.393 412 HZ2 TRP 48 HZ2 TRP 48 -15.138 1.670 -1.359 413 HZ3 TRP 48 HZ3 TRP 48 -10.896 2.306 -1.573 414 HH2 TRP 48 HH2 TRP 48 -12.851 1.165 -0.556 415 H GLN 49 HN GLN 49 -13.870 2.664 -6.318 416 HA GLN 49 HA GLN 49 -11.843 1.148 -5.012 417 1HB GLN 49 HB2 GLN 49 -14.180 0.445 -5.005 418 2HB GLN 49 HB1 GLN 49 -14.156 0.237 -6.755 419 1HG GLN 49 HG2 GLN 49 -12.587 -1.586 -6.592 420 2HG GLN 49 HG1 GLN 49 -12.334 -1.284 -4.874 421 1HE2 GLN 49 HE21 GLN 49 -14.597 -2.623 -7.241 422 2HE2 GLN 49 HE22 GLN 49 -15.618 -3.368 -6.109 423 H ASN 50 HN ASN 50 -12.693 1.320 -8.485 424 HA ASN 50 HA ASN 50 -10.684 -0.578 -9.289 425 1HB ASN 50 HB2 ASN 50 -12.170 1.566 -10.822 426 2HB ASN 50 HB1 ASN 50 -11.053 0.431 -11.582 427 1HD2 ASN 50 HD21 ASN 50 -13.849 0.440 -12.244 428 2HD2 ASN 50 HD22 ASN 50 -14.531 -1.011 -11.688 429 H SER 51 HN SER 51 -10.692 2.956 -8.989 430 HA SER 51 HA SER 51 -8.219 3.470 -10.288 431 1HB SER 51 HB2 SER 51 -9.579 4.896 -7.987 432 2HB SER 51 HB1 SER 51 -8.152 5.517 -8.814 433 HG SER 51 HG SER 51 -10.197 4.693 -10.469 434 H ILE 52 HN ILE 52 -8.909 2.539 -6.928 435 HA ILE 52 HA ILE 52 -6.292 2.897 -5.891 436 HB ILE 52 HB ILE 52 -8.418 0.866 -5.160 437 1HG1 ILE 52 HG12 ILE 52 -8.877 3.425 -5.008 438 2HG1 ILE 52 HG11 ILE 52 -9.252 2.420 -3.616 439 1HG2 ILE 52 HG21 ILE 52 -7.155 0.989 -2.896 440 2HG2 ILE 52 HG22 ILE 52 -5.808 1.604 -3.853 441 3HG2 ILE 52 HG23 ILE 52 -6.470 0.004 -4.186 442 1HD1 ILE 52 HD11 ILE 52 -6.651 3.957 -3.921 443 2HD1 ILE 52 HD12 ILE 52 -7.223 3.109 -2.486 444 3HD1 ILE 52 HD13 ILE 52 -8.055 4.555 -3.046 445 H ARG 53 HN ARG 53 -7.753 -0.027 -7.373 446 HA ARG 53 HA ARG 53 -5.411 -1.658 -7.063 447 1HB ARG 53 HB2 ARG 53 -7.236 -2.038 -9.425 448 2HB ARG 53 HB1 ARG 53 -6.562 -3.244 -8.328 449 1HG ARG 53 HG2 ARG 53 -8.067 -1.968 -6.545 450 2HG ARG 53 HG1 ARG 53 -8.968 -1.484 -7.974 451 1HD ARG 53 HD2 ARG 53 -8.617 -4.212 -6.789 452 2HD ARG 53 HD1 ARG 53 -10.067 -3.458 -7.434 453 HE ARG 53 HE ARG 53 -8.278 -5.196 -8.837 454 1HH1 ARG 53 HH21 ARG 53 -9.919 -2.191 -9.263 455 2HH1 ARG 53 HH22 ARG 53 -9.861 -2.265 -10.991 456 1HH2 ARG 53 HH11 ARG 53 -8.218 -5.317 -11.065 457 2HH2 ARG 53 HH12 ARG 53 -8.903 -4.040 -12.013 458 H HIS 54 HN HIS 54 -6.520 0.445 -9.715 459 HA HIS 54 HA HIS 54 -4.501 -0.231 -11.592 460 1HB HIS 54 HB2 HIS 54 -6.581 1.186 -11.986 461 2HB HIS 54 HB1 HIS 54 -5.696 2.528 -11.260 462 HD1 HIS 54 HD1 HIS 54 -4.212 -0.102 -13.551 463 HD2 HIS 54 HD2 HIS 54 -5.118 3.968 -13.593 464 HE1 HIS 54 HE1 HIS 54 -3.215 0.831 -15.682 465 H ASN 55 HN ASN 55 -4.537 2.303 -9.080 466 HA ASN 55 HA ASN 55 -1.934 3.329 -9.710 467 1HB ASN 55 HB2 ASN 55 -3.558 3.388 -7.154 468 2HB ASN 55 HB1 ASN 55 -2.012 4.218 -7.337 469 1HD2 ASN 55 HD21 ASN 55 -5.285 4.785 -7.547 470 2HD2 ASN 55 HD22 ASN 55 -5.277 6.057 -8.671 471 H LEU 56 HN LEU 56 -3.022 0.766 -7.487 472 HA LEU 56 HA LEU 56 -0.521 0.327 -6.240 473 1HB LEU 56 HB2 LEU 56 -2.887 -1.452 -6.759 474 2HB LEU 56 HB1 LEU 56 -1.444 -2.096 -5.983 475 HG LEU 56 HG LEU 56 -2.688 0.446 -4.933 476 1HD1 LEU 56 HD11 LEU 56 -3.970 -1.019 -3.326 477 2HD1 LEU 56 HD12 LEU 56 -3.584 -2.393 -4.363 478 3HD1 LEU 56 HD13 LEU 56 -4.568 -1.069 -4.983 479 1HD2 LEU 56 HD21 LEU 56 -1.664 -0.261 -2.855 480 2HD2 LEU 56 HD22 LEU 56 -0.445 -0.430 -4.113 481 3HD2 LEU 56 HD23 LEU 56 -1.296 -1.851 -3.518 482 H SER 57 HN SER 57 -1.864 -1.210 -9.182 483 HA SER 57 HA SER 57 0.433 -2.867 -9.636 484 1HB SER 57 HB2 SER 57 -1.661 -3.332 -10.780 485 2HB SER 57 HB1 SER 57 -1.619 -1.758 -11.574 486 HG SER 57 HG SER 57 -0.708 -3.886 -12.587 487 H LEU 58 HN LEU 58 -0.439 0.379 -10.847 488 HA LEU 58 HA LEU 58 1.940 0.692 -12.442 489 1HB LEU 58 HB2 LEU 58 0.054 2.701 -11.192 490 2HB LEU 58 HB1 LEU 58 1.376 3.157 -12.261 491 HG LEU 58 HG LEU 58 -0.643 1.086 -13.134 492 1HD1 LEU 58 HD11 LEU 58 -1.770 3.099 -14.311 493 2HD1 LEU 58 HD12 LEU 58 -0.953 4.089 -13.104 494 3HD1 LEU 58 HD13 LEU 58 -2.109 2.858 -12.599 495 1HD2 LEU 58 HD21 LEU 58 -0.041 2.091 -15.379 496 2HD2 LEU 58 HD22 LEU 58 1.305 1.306 -14.561 497 3HD2 LEU 58 HD23 LEU 58 1.174 3.063 -14.556 498 H ASN 59 HN ASN 59 1.100 1.679 -9.119 499 HA ASN 59 HA ASN 59 3.804 2.768 -8.699 500 1HB ASN 59 HB2 ASN 59 1.469 2.374 -6.799 501 2HB ASN 59 HB1 ASN 59 2.981 3.181 -6.381 502 1HD2 ASN 59 HD21 ASN 59 -0.138 3.812 -7.446 503 2HD2 ASN 59 HD22 ASN 59 0.131 5.315 -8.186 504 H GLU 60 HN GLU 60 5.360 1.229 -8.575 505 HA GLU 60 HA GLU 60 4.805 -1.361 -7.262 506 1HB GLU 60 HB2 GLU 60 7.266 -0.294 -8.678 507 2HB GLU 60 HB1 GLU 60 7.089 -1.938 -8.058 508 1HG GLU 60 HG2 GLU 60 5.125 -2.278 -9.516 509 2HG GLU 60 HG1 GLU 60 5.303 -0.639 -10.141 510 H CYS 61 HN CYS 61 5.364 1.534 -6.038 511 HA CYS 61 HA CYS 61 7.712 1.232 -4.426 512 1HB CYS 61 HB2 CYS 61 5.214 2.904 -4.070 513 2HB CYS 61 HB1 CYS 61 6.607 3.007 -2.993 514 HG CYS 61 HG CYS 61 7.799 3.368 -5.613 515 H PHE 62 HN PHE 62 4.449 0.007 -4.088 516 HA PHE 62 HA PHE 62 4.777 -0.634 -1.252 517 1HB PHE 62 HB2 PHE 62 2.709 -1.570 -3.265 518 2HB PHE 62 HB1 PHE 62 2.638 -1.849 -1.525 519 HD1 PHE 62 HD1 PHE 62 2.067 0.531 -4.207 520 HD2 PHE 62 HD2 PHE 62 2.516 0.120 0.046 521 HE1 PHE 62 HE1 PHE 62 1.045 2.767 -3.882 522 HE2 PHE 62 HE2 PHE 62 1.493 2.357 0.370 523 HZ PHE 62 HZ PHE 62 0.757 3.680 -1.593 524 H VAL 63 HN VAL 63 5.148 -2.725 -0.401 525 HA VAL 63 HA VAL 63 6.682 -4.496 -2.210 526 HB VAL 63 HB VAL 63 6.183 -4.766 0.771 527 1HG1 VAL 63 HG11 VAL 63 6.992 -6.791 -0.427 528 2HG1 VAL 63 HG12 VAL 63 8.194 -6.162 0.701 529 3HG1 VAL 63 HG13 VAL 63 8.365 -5.861 -1.029 530 1HG2 VAL 63 HG21 VAL 63 7.257 -2.573 0.113 531 2HG2 VAL 63 HG22 VAL 63 8.562 -3.499 -0.626 532 3HG2 VAL 63 HG23 VAL 63 8.285 -3.598 1.111 533 H LYS 64 HN LYS 64 5.614 -6.118 -3.236 534 HA LYS 64 HA LYS 64 2.998 -7.039 -2.183 535 1HB LYS 64 HB2 LYS 64 4.490 -7.632 -4.757 536 2HB LYS 64 HB1 LYS 64 2.911 -8.306 -4.347 537 1HG LYS 64 HG2 LYS 64 1.925 -6.091 -4.244 538 2HG LYS 64 HG1 LYS 64 3.501 -5.337 -4.455 539 1HD LYS 64 HD2 LYS 64 2.552 -5.249 -6.614 540 2HD LYS 64 HD1 LYS 64 3.632 -6.637 -6.683 541 1HE LYS 64 HE2 LYS 64 0.709 -6.960 -5.978 542 2HE LYS 64 HE1 LYS 64 1.261 -6.930 -7.650 543 1HZ LYS 64 HZ1 LYS 64 2.983 -8.635 -6.388 544 2HZ LYS 64 HZ2 LYS 64 1.691 -9.075 -7.400 545 3HZ LYS 64 HZ3 LYS 64 1.472 -9.015 -5.717 546 H VAL 65 HN VAL 65 3.413 -8.417 -0.489 547 HA VAL 65 HA VAL 65 5.391 -10.612 -0.864 548 HB VAL 65 HB VAL 65 4.560 -10.942 1.691 549 1HG1 VAL 65 HG11 VAL 65 6.507 -8.809 0.765 550 2HG1 VAL 65 HG12 VAL 65 6.878 -10.518 0.983 551 3HG1 VAL 65 HG13 VAL 65 6.460 -9.522 2.377 552 1HG2 VAL 65 HG21 VAL 65 4.414 -7.942 1.461 553 2HG2 VAL 65 HG22 VAL 65 3.791 -8.997 2.729 554 3HG2 VAL 65 HG23 VAL 65 2.961 -8.895 1.180 555 HA PRO 66 HA PRO 66 1.653 -13.080 -1.615 556 1HB PRO 66 HB2 PRO 66 2.800 -15.381 -2.402 557 2HB PRO 66 HB1 PRO 66 2.892 -13.923 -3.414 558 1HG PRO 66 HG2 PRO 66 4.941 -15.054 -1.550 559 2HG PRO 66 HG1 PRO 66 5.148 -14.435 -3.199 560 1HD PRO 66 HD2 PRO 66 5.689 -12.938 -0.945 561 2HD PRO 66 HD1 PRO 66 5.213 -12.228 -2.504 562 H ARG 67 HN ARG 67 0.838 -15.306 -0.873 563 HA ARG 67 HA ARG 67 1.347 -15.601 1.998 564 1HB ARG 67 HB2 ARG 67 -0.583 -16.750 0.006 565 2HB ARG 67 HB1 ARG 67 -0.330 -17.628 1.513 566 1HG ARG 67 HG2 ARG 67 -1.003 -15.740 2.822 567 2HG ARG 67 HG1 ARG 67 -1.001 -14.677 1.419 568 1HD ARG 67 HD2 ARG 67 -2.956 -15.619 0.548 569 2HD ARG 67 HD1 ARG 67 -2.751 -17.123 1.429 570 HE ARG 67 HE ARG 67 -4.182 -14.756 2.288 571 1HH1 ARG 67 HH21 ARG 67 -2.091 -17.243 3.451 572 2HH1 ARG 67 HH22 ARG 67 -2.574 -17.045 5.103 573 1HH2 ARG 67 HH11 ARG 67 -4.826 -14.503 4.420 574 2HH2 ARG 67 HH12 ARG 67 -4.120 -15.498 5.650 575 H ASP 68 HN ASP 68 1.944 -17.710 2.938 576 HA ASP 68 HA ASP 68 4.164 -18.919 1.462 577 1HB ASP 68 HB2 ASP 68 4.034 -18.424 4.008 578 2HB ASP 68 HB1 ASP 68 3.092 -19.911 4.103 579 H ASP 69 HN ASP 69 4.334 -21.359 1.429 580 HA ASP 69 HA ASP 69 2.187 -22.492 -0.072 581 1HB ASP 69 HB2 ASP 69 4.567 -23.744 1.314 582 2HB ASP 69 HB1 ASP 69 3.439 -24.672 0.323 583 H LYS 70 HN LYS 70 3.030 -22.705 3.364 584 HA LYS 70 HA LYS 70 1.246 -24.799 4.075 585 1HB LYS 70 HB2 LYS 70 2.214 -22.384 5.627 586 2HB LYS 70 HB1 LYS 70 1.271 -23.683 6.356 587 1HG LYS 70 HG2 LYS 70 3.009 -25.316 5.656 588 2HG LYS 70 HG1 LYS 70 3.946 -23.992 4.967 589 1HD LYS 70 HD2 LYS 70 4.115 -22.930 7.178 590 2HD LYS 70 HD1 LYS 70 3.169 -24.240 7.887 591 1HE LYS 70 HE2 LYS 70 4.875 -25.841 7.460 592 2HE LYS 70 HE1 LYS 70 5.736 -24.753 6.371 593 1HZ LYS 70 HZ1 LYS 70 5.299 -24.130 9.233 594 2HZ LYS 70 HZ2 LYS 70 6.388 -23.395 8.157 595 3HZ LYS 70 HZ3 LYS 70 6.658 -24.986 8.691 596 H LYS 71 HN LYS 71 0.708 -21.298 3.757 597 HA LYS 71 HA LYS 71 -2.144 -21.617 4.461 598 1HB LYS 71 HB2 LYS 71 -0.561 -19.179 3.593 599 2HB LYS 71 HB1 LYS 71 -2.231 -19.159 4.159 600 1HG LYS 71 HG2 LYS 71 -1.625 -19.767 6.356 601 2HG LYS 71 HG1 LYS 71 -0.040 -20.355 5.854 602 1HD LYS 71 HD2 LYS 71 0.665 -18.063 5.323 603 2HD LYS 71 HD1 LYS 71 -0.929 -17.456 5.773 604 1HE LYS 71 HE2 LYS 71 0.607 -19.086 7.779 605 2HE LYS 71 HE1 LYS 71 1.062 -17.403 7.521 606 1HZ LYS 71 HZ1 LYS 71 -1.751 -18.178 7.978 607 2HZ LYS 71 HZ2 LYS 71 -1.025 -16.652 8.162 608 3HZ LYS 71 HZ3 LYS 71 -0.692 -17.894 9.274 609 HA PRO 72 HA PRO 72 -3.310 -21.951 0.145 610 1HB PRO 72 HB2 PRO 72 -5.911 -21.158 0.244 611 2HB PRO 72 HB1 PRO 72 -5.369 -22.694 0.949 612 1HG PRO 72 HG2 PRO 72 -5.910 -20.086 2.305 613 2HG PRO 72 HG1 PRO 72 -6.359 -21.726 2.805 614 1HD PRO 72 HD2 PRO 72 -4.193 -20.407 3.847 615 2HD PRO 72 HD1 PRO 72 -4.262 -22.177 3.693 616 H GLY 73 HN GLY 73 -2.916 -20.552 -1.550 617 1HA GLY 73 HA2 GLY 73 -2.340 -17.827 -1.221 618 2HA GLY 73 HA1 GLY 73 -2.735 -18.560 -2.771 619 H LYS 74 HN LYS 74 -4.226 -17.107 0.125 620 HA LYS 74 HA LYS 74 -6.839 -16.868 -1.083 621 1HB LYS 74 HB2 LYS 74 -5.566 -15.460 1.272 622 2HB LYS 74 HB1 LYS 74 -7.238 -15.197 0.776 623 1HG LYS 74 HG2 LYS 74 -7.778 -17.531 1.137 624 2HG LYS 74 HG1 LYS 74 -6.089 -17.918 1.439 625 1HD LYS 74 HD2 LYS 74 -7.330 -17.729 3.559 626 2HD LYS 74 HD1 LYS 74 -6.096 -16.475 3.433 627 1HE LYS 74 HE2 LYS 74 -8.491 -15.796 4.211 628 2HE LYS 74 HE1 LYS 74 -7.673 -14.784 3.024 629 1HZ LYS 74 HZ1 LYS 74 -9.385 -17.016 2.148 630 2HZ LYS 74 HZ2 LYS 74 -8.961 -15.598 1.312 631 3HZ LYS 74 HZ3 LYS 74 -10.083 -15.533 2.588 632 H GLY 75 HN GLY 75 -4.064 -14.793 -0.775 633 1HA GLY 75 HA2 GLY 75 -4.533 -13.363 -3.193 634 2HA GLY 75 HA1 GLY 75 -5.155 -12.398 -1.853 635 H SER 76 HN SER 76 -3.246 -11.047 -2.906 636 HA SER 76 HA SER 76 -0.610 -11.844 -1.766 637 1HB SER 76 HB2 SER 76 0.163 -9.794 -3.080 638 2HB SER 76 HB1 SER 76 -0.453 -11.132 -4.045 639 HG SER 76 HG SER 76 -1.742 -8.718 -3.319 640 H TYR 77 HN TYR 77 0.349 -10.669 -0.107 641 HA TYR 77 HA TYR 77 -1.404 -8.787 1.339 642 1HB TYR 77 HB2 TYR 77 1.221 -10.139 1.965 643 2HB TYR 77 HB1 TYR 77 0.640 -8.806 2.958 644 HD1 TYR 77 HD1 TYR 77 0.739 -12.261 2.784 645 HD2 TYR 77 HD2 TYR 77 -2.053 -9.074 3.502 646 HE1 TYR 77 HE1 TYR 77 -0.718 -13.816 4.041 647 HE2 TYR 77 HE2 TYR 77 -3.512 -10.636 4.749 648 HH TYR 77 HH TYR 77 -2.547 -14.017 5.296 649 H TRP 78 HN TRP 78 -0.925 -6.607 1.668 650 HA TRP 78 HA TRP 78 1.261 -5.463 -0.047 651 1HB TRP 78 HB2 TRP 78 -1.416 -4.305 0.790 652 2HB TRP 78 HB1 TRP 78 -0.171 -3.406 -0.079 653 HD1 TRP 78 HD1 TRP 78 -2.642 -6.288 -0.495 654 HE1 TRP 78 HE1 TRP 78 -2.901 -6.807 -3.005 655 HE3 TRP 78 HE3 TRP 78 0.978 -3.237 -2.406 656 HZ2 TRP 78 HZ2 TRP 78 -1.726 -6.032 -5.498 657 HZ3 TRP 78 HZ3 TRP 78 1.385 -3.144 -4.847 658 HH2 TRP 78 HH2 TRP 78 0.039 -4.533 -6.395 659 H THR 79 HN THR 79 2.818 -4.320 1.017 660 HA THR 79 HA THR 79 2.236 -2.954 3.547 661 HB THR 79 HB THR 79 2.670 -5.344 4.210 662 HG1 THR 79 HG1 THR 79 3.982 -3.101 5.039 663 1HG2 THR 79 HG21 THR 79 4.403 -5.597 2.294 664 2HG2 THR 79 HG22 THR 79 4.760 -6.366 3.840 665 3HG2 THR 79 HG23 THR 79 5.533 -4.838 3.417 666 H LEU 80 HN LEU 80 3.985 -1.506 4.148 667 HA LEU 80 HA LEU 80 5.752 -0.846 1.847 668 1HB LEU 80 HB2 LEU 80 5.031 0.635 4.392 669 2HB LEU 80 HB1 LEU 80 6.201 1.237 3.221 670 HG LEU 80 HG LEU 80 3.404 0.471 2.367 671 1HD1 LEU 80 HD11 LEU 80 4.362 3.076 3.573 672 2HD1 LEU 80 HD12 LEU 80 3.002 2.082 4.093 673 3HD1 LEU 80 HD13 LEU 80 2.916 2.967 2.570 674 1HD2 LEU 80 HD21 LEU 80 5.562 2.312 1.279 675 2HD2 LEU 80 HD22 LEU 80 3.919 2.263 0.646 676 3HD2 LEU 80 HD23 LEU 80 4.943 0.838 0.536 677 H ASP 81 HN ASP 81 7.516 -2.228 1.982 678 HA ASP 81 HA ASP 81 9.251 -1.889 4.374 679 1HB ASP 81 HB2 ASP 81 8.355 -4.528 3.209 680 2HB ASP 81 HB1 ASP 81 9.807 -4.374 4.197 681 HA PRO 82 HA PRO 82 11.427 -1.213 0.324 682 1HB PRO 82 HB2 PRO 82 12.892 0.731 2.055 683 2HB PRO 82 HB1 PRO 82 12.178 0.969 0.448 684 1HG PRO 82 HG2 PRO 82 11.042 2.003 2.619 685 2HG PRO 82 HG1 PRO 82 10.058 1.331 1.304 686 1HD PRO 82 HD2 PRO 82 10.750 0.089 3.957 687 2HD PRO 82 HD1 PRO 82 9.199 0.079 3.082 688 H ASP 83 HN ASP 83 14.204 -0.278 1.130 689 HA ASP 83 HA ASP 83 15.313 -2.977 1.658 690 1HB ASP 83 HB2 ASP 83 17.442 -2.011 0.959 691 2HB ASP 83 HB1 ASP 83 16.201 -1.586 -0.221 692 H SER 84 HN SER 84 14.005 -1.423 3.807 693 HA SER 84 HA SER 84 15.718 -0.059 5.535 694 1HB SER 84 HB2 SER 84 13.535 -0.156 6.337 695 2HB SER 84 HB1 SER 84 13.366 -1.867 5.953 696 HG SER 84 HG SER 84 14.653 -2.360 7.708 697 H TYR 85 HN TYR 85 17.840 -0.996 5.328 698 HA TYR 85 HA TYR 85 18.461 -3.730 5.837 699 1HB TYR 85 HB2 TYR 85 19.979 -1.999 4.792 700 2HB TYR 85 HB1 TYR 85 20.244 -1.350 6.409 701 HD1 TYR 85 HD1 TYR 85 20.417 -4.532 4.451 702 HD2 TYR 85 HD2 TYR 85 21.908 -2.285 7.795 703 HE1 TYR 85 HE1 TYR 85 22.143 -6.269 4.849 704 HE2 TYR 85 HE2 TYR 85 23.632 -4.022 8.193 705 HH TYR 85 HH TYR 85 24.787 -5.912 6.399 706 H ASN 86 HN ASN 86 18.586 -0.905 8.029 707 HA ASN 86 HA ASN 86 18.024 -2.711 10.316 708 1HB ASN 86 HB2 ASN 86 20.540 -1.110 9.913 709 2HB ASN 86 HB1 ASN 86 19.918 -1.327 11.548 710 1HD2 ASN 86 HD21 ASN 86 20.535 -3.370 8.626 711 2HD2 ASN 86 HD22 ASN 86 21.150 -4.686 9.504 712 H MET 87 HN MET 87 16.735 -0.456 8.761 713 HA MET 87 HA MET 87 16.680 1.865 10.478 714 1HB MET 87 HB2 MET 87 14.543 0.932 8.535 715 2HB MET 87 HB1 MET 87 14.784 2.573 9.133 716 1HG MET 87 HG2 MET 87 16.800 1.014 7.490 717 2HG MET 87 HG1 MET 87 15.730 2.262 6.853 718 1HE MET 87 HE1 MET 87 19.723 3.215 7.492 719 2HE MET 87 HE2 MET 87 18.635 2.623 6.239 720 3HE MET 87 HE3 MET 87 19.078 1.572 7.582 721 H PHE 88 HN PHE 88 15.767 1.943 12.471 722 HA PHE 88 HA PHE 88 13.755 -0.115 13.230 723 1HB PHE 88 HB2 PHE 88 15.271 1.919 14.892 724 2HB PHE 88 HB1 PHE 88 14.160 0.710 15.536 725 HD1 PHE 88 HD1 PHE 88 14.723 -1.677 15.490 726 HD2 PHE 88 HD2 PHE 88 17.453 1.291 14.015 727 HE1 PHE 88 HE1 PHE 88 16.553 -3.350 15.513 728 HE2 PHE 88 HE2 PHE 88 19.284 -0.382 14.035 729 HZ PHE 88 HZ PHE 88 18.833 -2.703 14.785 730 H GLU 89 HN GLU 89 14.099 3.318 12.658 731 HA GLU 89 HA GLU 89 11.154 3.633 12.984 732 1HB GLU 89 HB2 GLU 89 13.253 5.456 14.207 733 2HB GLU 89 HB1 GLU 89 11.524 5.799 14.151 734 1HG GLU 89 HG2 GLU 89 11.064 3.754 15.443 735 2HG GLU 89 HG1 GLU 89 12.791 3.400 15.506 736 H ASN 90 HN ASN 90 10.538 5.899 12.059 737 HA ASN 90 HA ASN 90 11.086 6.061 9.351 738 1HB ASN 90 HB2 ASN 90 10.512 8.309 11.298 739 2HB ASN 90 HB1 ASN 90 10.541 8.534 9.550 740 1HD2 ASN 90 HD21 ASN 90 9.430 5.528 9.541 741 2HD2 ASN 90 HD22 ASN 90 7.766 5.779 9.750 742 H GLY 91 HN GLY 91 12.375 7.768 8.158 743 1HA GLY 91 HA2 GLY 91 15.151 7.515 8.802 744 2HA GLY 91 HA1 GLY 91 14.489 8.587 7.570 745 H SER 92 HN SER 92 14.134 8.510 11.134 746 HA SER 92 HA SER 92 14.291 11.398 11.315 747 1HB SER 92 HB2 SER 92 13.075 10.063 12.995 748 2HB SER 92 HB1 SER 92 14.575 9.264 13.456 749 HG SER 92 HG SER 92 14.289 10.934 14.869 750 H PHE 93 HN PHE 93 16.587 8.923 10.984 751 HA PHE 93 HA PHE 93 18.782 9.837 12.502 752 1HB PHE 93 HB2 PHE 93 18.414 8.182 10.054 753 2HB PHE 93 HB1 PHE 93 20.026 8.856 10.270 754 HD1 PHE 93 HD1 PHE 93 18.015 6.086 11.029 755 HD2 PHE 93 HD2 PHE 93 20.897 8.734 12.801 756 HE1 PHE 93 HE1 PHE 93 18.543 4.364 12.736 757 HE2 PHE 93 HE2 PHE 93 21.428 7.009 14.509 758 HZ PHE 93 HZ PHE 93 20.249 4.826 14.475 759 H LEU 94 HN LEU 94 20.823 10.784 11.440 760 HA LEU 94 HA LEU 94 20.198 13.452 10.572 761 1HB LEU 94 HB2 LEU 94 22.756 11.872 10.827 762 2HB LEU 94 HB1 LEU 94 22.758 13.499 10.148 763 HG LEU 94 HG LEU 94 21.780 14.404 12.181 764 1HD1 LEU 94 HD11 LEU 94 21.553 12.773 14.163 765 2HD1 LEU 94 HD12 LEU 94 21.591 11.489 12.955 766 3HD1 LEU 94 HD13 LEU 94 20.306 12.698 12.921 767 1HD2 LEU 94 HD21 LEU 94 24.192 14.228 12.219 768 2HD2 LEU 94 HD22 LEU 94 24.110 12.525 12.667 769 3HD2 LEU 94 HD23 LEU 94 23.601 13.763 13.814 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -23.386 16.234 6.689 2 2H MET 1 HT2 MET 1 -22.469 15.201 5.701 3 3H MET 1 HT3 MET 1 -23.454 16.396 5.003 4 HA MET 1 HA MET 1 -21.904 17.954 5.190 5 1HB MET 1 HB2 MET 1 -22.525 17.840 7.706 6 2HB MET 1 HB1 MET 1 -21.043 16.904 7.886 7 1HG MET 1 HG2 MET 1 -19.742 18.757 6.910 8 2HG MET 1 HG1 MET 1 -21.223 19.683 6.677 9 1HE MET 1 HE1 MET 1 -18.283 18.970 8.951 10 2HE MET 1 HE2 MET 1 -19.306 17.573 9.269 11 3HE MET 1 HE3 MET 1 -18.992 18.735 10.553 12 H LEU 2 HN LEU 2 -21.476 14.963 4.561 13 HA LEU 2 HA LEU 2 -18.602 14.585 5.013 14 1HB LEU 2 HB2 LEU 2 -20.550 13.053 3.261 15 2HB LEU 2 HB1 LEU 2 -18.913 12.539 3.662 16 HG LEU 2 HG LEU 2 -21.105 13.042 5.698 17 1HD1 LEU 2 HD11 LEU 2 -21.147 10.562 5.899 18 2HD1 LEU 2 HD12 LEU 2 -20.028 10.454 4.539 19 3HD1 LEU 2 HD13 LEU 2 -21.647 11.110 4.298 20 1HD2 LEU 2 HD21 LEU 2 -18.230 12.138 5.855 21 2HD2 LEU 2 HD22 LEU 2 -19.389 11.569 7.055 22 3HD2 LEU 2 HD23 LEU 2 -19.091 13.294 6.872 23 H VAL 3 HN VAL 3 -16.981 14.850 3.457 24 HA VAL 3 HA VAL 3 -17.750 15.699 0.718 25 HB VAL 3 HB VAL 3 -16.146 17.639 0.879 26 1HG1 VAL 3 HG11 VAL 3 -18.465 17.780 2.827 27 2HG1 VAL 3 HG12 VAL 3 -18.645 17.852 1.075 28 3HG1 VAL 3 HG13 VAL 3 -17.756 19.118 1.922 29 1HG2 VAL 3 HG21 VAL 3 -15.485 18.436 3.070 30 2HG2 VAL 3 HG22 VAL 3 -14.983 16.750 2.933 31 3HG2 VAL 3 HG23 VAL 3 -16.422 17.169 3.864 32 H LYS 4 HN LYS 4 -16.003 15.444 -0.801 33 HA LYS 4 HA LYS 4 -14.387 13.209 -0.576 34 1HB LYS 4 HB2 LYS 4 -13.655 15.753 -2.047 35 2HB LYS 4 HB1 LYS 4 -13.034 14.137 -2.386 36 1HG LYS 4 HG2 LYS 4 -15.322 13.361 -2.902 37 2HG LYS 4 HG1 LYS 4 -15.945 14.970 -2.554 38 1HD LYS 4 HD2 LYS 4 -15.719 14.904 -4.919 39 2HD LYS 4 HD1 LYS 4 -14.335 15.833 -4.349 40 1HE LYS 4 HE2 LYS 4 -12.837 14.032 -4.702 41 2HE LYS 4 HE1 LYS 4 -14.142 12.850 -4.804 42 1HZ LYS 4 HZ1 LYS 4 -13.125 13.546 -6.970 43 2HZ LYS 4 HZ2 LYS 4 -13.833 15.073 -6.736 44 3HZ LYS 4 HZ3 LYS 4 -14.813 13.692 -6.880 45 HA PRO 5 HA PRO 5 -11.799 14.718 2.897 46 1HB PRO 5 HB2 PRO 5 -10.315 12.211 2.172 47 2HB PRO 5 HB1 PRO 5 -10.810 12.806 3.770 48 1HG PRO 5 HG2 PRO 5 -12.134 10.840 2.571 49 2HG PRO 5 HG1 PRO 5 -12.987 12.080 3.509 50 1HD PRO 5 HD2 PRO 5 -12.821 11.752 0.537 51 2HD PRO 5 HD1 PRO 5 -14.149 12.382 1.536 52 HA PRO 6 HA PRO 6 -8.431 16.507 0.539 53 1HB PRO 6 HB2 PRO 6 -6.775 17.303 2.551 54 2HB PRO 6 HB1 PRO 6 -8.332 18.095 2.240 55 1HG PRO 6 HG2 PRO 6 -7.648 16.022 4.282 56 2HG PRO 6 HG1 PRO 6 -8.609 17.501 4.463 57 1HD PRO 6 HD2 PRO 6 -9.758 15.041 4.137 58 2HD PRO 6 HD1 PRO 6 -10.514 16.538 3.546 59 H TYR 7 HN TYR 7 -8.331 13.517 1.588 60 HA TYR 7 HA TYR 7 -5.368 13.148 1.564 61 1HB TYR 7 HB2 TYR 7 -7.510 11.064 2.058 62 2HB TYR 7 HB1 TYR 7 -5.791 10.951 2.435 63 HD1 TYR 7 HD1 TYR 7 -8.897 11.472 3.893 64 HD2 TYR 7 HD2 TYR 7 -4.934 13.130 3.865 65 HE1 TYR 7 HE1 TYR 7 -9.312 12.494 6.111 66 HE2 TYR 7 HE2 TYR 7 -5.346 14.151 6.086 67 HH TYR 7 HH TYR 7 -8.028 13.307 8.027 68 H SER 8 HN SER 8 -4.370 12.183 -0.161 69 HA SER 8 HA SER 8 -5.931 11.758 -2.600 70 1HB SER 8 HB2 SER 8 -3.756 11.304 -3.641 71 2HB SER 8 HB1 SER 8 -3.658 12.763 -2.659 72 HG SER 8 HG SER 8 -3.069 10.255 -1.533 73 H TYR 9 HN TYR 9 -5.477 9.655 -3.870 74 HA TYR 9 HA TYR 9 -6.456 7.427 -2.389 75 1HB TYR 9 HB2 TYR 9 -4.931 7.471 -5.012 76 2HB TYR 9 HB1 TYR 9 -5.840 6.092 -4.389 77 HD1 TYR 9 HD1 TYR 9 -6.049 9.393 -5.947 78 HD2 TYR 9 HD2 TYR 9 -8.302 6.213 -4.142 79 HE1 TYR 9 HE1 TYR 9 -8.140 10.343 -6.885 80 HE2 TYR 9 HE2 TYR 9 -10.391 7.159 -5.078 81 HH TYR 9 HH TYR 9 -11.160 9.524 -5.838 82 H ILE 10 HN ILE 10 -3.160 8.374 -3.320 83 HA ILE 10 HA ILE 10 -1.885 6.005 -2.297 84 HB ILE 10 HB ILE 10 -0.774 8.822 -2.546 85 1HG1 ILE 10 HG12 ILE 10 -1.616 8.095 -4.703 86 2HG1 ILE 10 HG11 ILE 10 0.140 7.974 -4.724 87 1HG2 ILE 10 HG21 ILE 10 1.392 7.455 -2.844 88 2HG2 ILE 10 HG22 ILE 10 0.485 6.107 -2.161 89 3HG2 ILE 10 HG23 ILE 10 0.731 7.572 -1.213 90 1HD1 ILE 10 HD11 ILE 10 -0.295 5.492 -3.963 91 2HD1 ILE 10 HD12 ILE 10 -0.494 5.932 -5.658 92 3HD1 ILE 10 HD13 ILE 10 -1.908 5.777 -4.619 93 H ALA 11 HN ALA 11 -2.703 9.149 -0.863 94 HA ALA 11 HA ALA 11 -1.430 8.649 1.672 95 1HB ALA 11 HB1 ALA 11 -3.736 10.467 0.903 96 2HB ALA 11 HB2 ALA 11 -2.039 10.920 1.059 97 3HB ALA 11 HB3 ALA 11 -2.968 10.471 2.490 98 H LEU 12 HN LEU 12 -4.812 8.241 0.561 99 HA LEU 12 HA LEU 12 -5.821 7.247 3.038 100 1HB LEU 12 HB2 LEU 12 -6.660 6.668 0.181 101 2HB LEU 12 HB1 LEU 12 -7.577 6.143 1.592 102 HG LEU 12 HG LEU 12 -6.843 9.028 1.021 103 1HD1 LEU 12 HD11 LEU 12 -8.340 8.292 -0.718 104 2HD1 LEU 12 HD12 LEU 12 -9.282 9.243 0.430 105 3HD1 LEU 12 HD13 LEU 12 -9.384 7.482 0.452 106 1HD2 LEU 12 HD21 LEU 12 -8.932 9.217 2.671 107 2HD2 LEU 12 HD22 LEU 12 -7.303 9.000 3.298 108 3HD2 LEU 12 HD23 LEU 12 -8.391 7.618 3.178 109 H ILE 13 HN ILE 13 -4.275 5.629 0.290 110 HA ILE 13 HA ILE 13 -4.533 2.966 1.388 111 HB ILE 13 HB ILE 13 -2.668 4.147 -0.689 112 1HG1 ILE 13 HG12 ILE 13 -5.009 2.255 -1.024 113 2HG1 ILE 13 HG11 ILE 13 -5.187 4.006 -1.113 114 1HG2 ILE 13 HG21 ILE 13 -2.339 1.698 -1.307 115 2HG2 ILE 13 HG22 ILE 13 -3.051 1.296 0.255 116 3HG2 ILE 13 HG23 ILE 13 -1.546 2.213 0.180 117 1HD1 ILE 13 HD11 ILE 13 -4.899 3.272 -3.366 118 2HD1 ILE 13 HD12 ILE 13 -3.563 2.210 -2.926 119 3HD1 ILE 13 HD13 ILE 13 -3.346 3.960 -2.894 120 H THR 14 HN THR 14 -1.976 5.450 1.457 121 HA THR 14 HA THR 14 -0.039 3.864 2.833 122 HB THR 14 HB THR 14 -0.450 6.863 2.932 123 HG1 THR 14 HG1 THR 14 1.604 5.994 1.454 124 1HG2 THR 14 HG21 THR 14 1.880 5.084 3.681 125 2HG2 THR 14 HG22 THR 14 0.989 6.179 4.739 126 3HG2 THR 14 HG23 THR 14 2.018 6.829 3.462 127 H MET 15 HN MET 15 -2.668 5.945 4.000 128 HA MET 15 HA MET 15 -2.018 5.672 6.799 129 1HB MET 15 HB2 MET 15 -4.610 6.335 5.375 130 2HB MET 15 HB1 MET 15 -4.433 6.358 7.127 131 1HG MET 15 HG2 MET 15 -2.651 8.043 6.936 132 2HG MET 15 HG1 MET 15 -2.807 8.020 5.180 133 1HE MET 15 HE1 MET 15 -3.268 10.545 4.951 134 2HE MET 15 HE2 MET 15 -2.913 10.637 6.675 135 3HE MET 15 HE3 MET 15 -4.337 11.450 6.029 136 H ALA 16 HN ALA 16 -4.113 3.907 4.562 137 HA ALA 16 HA ALA 16 -5.377 2.192 6.431 138 1HB ALA 16 HB1 ALA 16 -4.616 1.830 3.527 139 2HB ALA 16 HB2 ALA 16 -6.193 2.266 4.182 140 3HB ALA 16 HB3 ALA 16 -5.561 0.634 4.415 141 H ILE 17 HN ILE 17 -2.382 1.644 4.536 142 HA ILE 17 HA ILE 17 -1.789 -0.929 5.600 143 HB ILE 17 HB ILE 17 0.147 1.245 4.733 144 1HG1 ILE 17 HG12 ILE 17 -0.957 -1.069 3.121 145 2HG1 ILE 17 HG11 ILE 17 -1.659 0.549 3.088 146 1HG2 ILE 17 HG21 ILE 17 0.413 -1.717 5.266 147 2HG2 ILE 17 HG22 ILE 17 1.436 -0.399 5.837 148 3HG2 ILE 17 HG23 ILE 17 1.503 -0.900 4.148 149 1HD1 ILE 17 HD11 ILE 17 0.048 0.061 1.255 150 2HD1 ILE 17 HD12 ILE 17 1.270 0.035 2.528 151 3HD1 ILE 17 HD13 ILE 17 0.352 1.510 2.215 152 H GLN 18 HN GLN 18 -0.659 2.281 6.596 153 HA GLN 18 HA GLN 18 0.835 1.385 8.870 154 1HB GLN 18 HB2 GLN 18 -0.404 4.076 8.229 155 2HB GLN 18 HB1 GLN 18 0.697 3.794 9.580 156 1HG GLN 18 HG2 GLN 18 2.423 2.989 8.010 157 2HG GLN 18 HG1 GLN 18 1.326 3.273 6.661 158 1HE2 GLN 18 HE21 GLN 18 3.908 4.604 6.997 159 2HE2 GLN 18 HE22 GLN 18 3.594 6.263 7.174 160 H ASN 19 HN ASN 19 -2.529 2.481 8.530 161 HA ASN 19 HA ASN 19 -3.028 2.284 11.404 162 1HB ASN 19 HB2 ASN 19 -4.843 2.684 9.013 163 2HB ASN 19 HB1 ASN 19 -5.430 2.631 10.676 164 1HD2 ASN 19 HD21 ASN 19 -4.113 4.703 8.284 165 2HD2 ASN 19 HD22 ASN 19 -3.764 6.025 9.290 166 H ALA 20 HN ALA 20 -2.459 -0.081 9.226 167 HA ALA 20 HA ALA 20 -4.710 -1.835 9.780 168 1HB ALA 20 HB1 ALA 20 -2.050 -2.855 8.810 169 2HB ALA 20 HB2 ALA 20 -3.018 -1.824 7.759 170 3HB ALA 20 HB3 ALA 20 -3.676 -3.354 8.338 171 HA PRO 21 HA PRO 21 -3.837 -3.645 13.739 172 1HB PRO 21 HB2 PRO 21 -3.538 -6.168 12.111 173 2HB PRO 21 HB1 PRO 21 -4.348 -5.936 13.672 174 1HG PRO 21 HG2 PRO 21 -5.731 -6.007 11.392 175 2HG PRO 21 HG1 PRO 21 -6.187 -4.924 12.717 176 1HD PRO 21 HD2 PRO 21 -5.024 -4.235 10.080 177 2HD PRO 21 HD1 PRO 21 -5.896 -3.198 11.230 178 H GLU 22 HN GLU 22 -1.864 -5.937 11.876 179 HA GLU 22 HA GLU 22 0.491 -5.075 13.442 180 1HB GLU 22 HB2 GLU 22 -0.059 -7.508 13.179 181 2HB GLU 22 HB1 GLU 22 0.232 -7.349 11.447 182 1HG GLU 22 HG2 GLU 22 2.246 -8.208 12.522 183 2HG GLU 22 HG1 GLU 22 2.552 -6.569 11.947 184 H LYS 23 HN LYS 23 0.424 -6.167 10.038 185 HA LYS 23 HA LYS 23 1.191 -3.513 9.089 186 1HB LYS 23 HB2 LYS 23 3.317 -4.439 10.077 187 2HB LYS 23 HB1 LYS 23 3.228 -5.749 8.905 188 1HG LYS 23 HG2 LYS 23 4.688 -4.141 7.934 189 2HG LYS 23 HG1 LYS 23 3.156 -3.940 7.093 190 1HD LYS 23 HD2 LYS 23 2.626 -1.961 8.334 191 2HD LYS 23 HD1 LYS 23 3.913 -2.265 9.501 192 1HE LYS 23 HE2 LYS 23 4.324 -1.669 6.556 193 2HE LYS 23 HE1 LYS 23 4.538 -0.509 7.868 194 1HZ LYS 23 HZ1 LYS 23 6.658 -1.353 7.447 195 2HZ LYS 23 HZ2 LYS 23 6.103 -2.953 7.310 196 3HZ LYS 23 HZ3 LYS 23 6.143 -2.192 8.828 197 H LYS 24 HN LYS 24 0.771 -6.963 8.427 198 HA LYS 24 HA LYS 24 0.677 -6.534 5.530 199 1HB LYS 24 HB2 LYS 24 -0.036 -8.925 7.249 200 2HB LYS 24 HB1 LYS 24 -0.065 -8.931 5.486 201 1HG LYS 24 HG2 LYS 24 2.330 -8.330 5.444 202 2HG LYS 24 HG1 LYS 24 2.360 -8.332 7.208 203 1HD LYS 24 HD2 LYS 24 1.588 -10.730 7.146 204 2HD LYS 24 HD1 LYS 24 1.798 -10.694 5.395 205 1HE LYS 24 HE2 LYS 24 3.823 -11.607 6.324 206 2HE LYS 24 HE1 LYS 24 4.193 -9.963 5.799 207 1HZ LYS 24 HZ1 LYS 24 3.247 -10.380 8.541 208 2HZ LYS 24 HZ2 LYS 24 4.308 -9.203 7.930 209 3HZ LYS 24 HZ3 LYS 24 4.851 -10.794 8.175 210 H ILE 25 HN ILE 25 -1.098 -6.016 4.372 211 HA ILE 25 HA ILE 25 -3.801 -6.414 5.593 212 HB ILE 25 HB ILE 25 -3.032 -4.002 5.720 213 1HG1 ILE 25 HG12 ILE 25 -5.377 -4.475 3.857 214 2HG1 ILE 25 HG11 ILE 25 -5.442 -4.770 5.590 215 1HG2 ILE 25 HG21 ILE 25 -2.820 -2.716 3.710 216 2HG2 ILE 25 HG22 ILE 25 -3.385 -4.056 2.714 217 3HG2 ILE 25 HG23 ILE 25 -1.804 -4.141 3.491 218 1HD1 ILE 25 HD11 ILE 25 -4.518 -2.089 4.578 219 2HD1 ILE 25 HD12 ILE 25 -5.252 -2.505 6.127 220 3HD1 ILE 25 HD13 ILE 25 -6.240 -2.455 4.668 221 H THR 26 HN THR 26 -5.311 -7.225 4.162 222 HA THR 26 HA THR 26 -4.290 -8.230 1.612 223 HB THR 26 HB THR 26 -6.459 -9.327 1.421 224 HG1 THR 26 HG1 THR 26 -8.092 -8.835 2.880 225 1HG2 THR 26 HG21 THR 26 -5.408 -9.321 4.264 226 2HG2 THR 26 HG22 THR 26 -4.864 -10.366 2.951 227 3HG2 THR 26 HG23 THR 26 -6.496 -10.538 3.598 228 H LEU 27 HN LEU 27 -5.477 -7.858 -0.427 229 HA LEU 27 HA LEU 27 -5.686 -5.100 -1.075 230 1HB LEU 27 HB2 LEU 27 -5.242 -6.943 -2.694 231 2HB LEU 27 HB1 LEU 27 -6.900 -7.496 -2.494 232 HG LEU 27 HG LEU 27 -7.722 -5.322 -3.370 233 1HD1 LEU 27 HD11 LEU 27 -6.152 -3.693 -2.865 234 2HD1 LEU 27 HD12 LEU 27 -5.776 -3.971 -4.560 235 3HD1 LEU 27 HD13 LEU 27 -4.782 -4.710 -3.311 236 1HD2 LEU 27 HD21 LEU 27 -6.513 -7.420 -4.822 237 2HD2 LEU 27 HD22 LEU 27 -5.899 -5.950 -5.569 238 3HD2 LEU 27 HD23 LEU 27 -7.636 -6.217 -5.439 239 H ASN 28 HN ASN 28 -8.200 -7.547 -0.475 240 HA ASN 28 HA ASN 28 -10.459 -5.831 -0.808 241 1HB ASN 28 HB2 ASN 28 -10.063 -8.328 0.861 242 2HB ASN 28 HB1 ASN 28 -11.627 -7.543 0.638 243 1HD2 ASN 28 HD21 ASN 28 -10.061 -10.146 -0.472 244 2HD2 ASN 28 HD22 ASN 28 -10.561 -10.162 -2.094 245 H GLY 29 HN GLY 29 -8.478 -6.615 2.037 246 1HA GLY 29 HA2 GLY 29 -10.054 -5.357 4.013 247 2HA GLY 29 HA1 GLY 29 -8.304 -5.542 4.111 248 H ILE 30 HN ILE 30 -7.600 -3.936 1.851 249 HA ILE 30 HA ILE 30 -7.546 -1.357 3.050 250 HB ILE 30 HB ILE 30 -7.153 -2.177 0.156 251 1HG1 ILE 30 HG12 ILE 30 -5.074 -1.422 2.222 252 2HG1 ILE 30 HG11 ILE 30 -5.628 -3.083 2.025 253 1HG2 ILE 30 HG21 ILE 30 -5.867 0.035 0.099 254 2HG2 ILE 30 HG22 ILE 30 -6.681 0.436 1.610 255 3HG2 ILE 30 HG23 ILE 30 -7.624 0.170 0.144 256 1HD1 ILE 30 HD11 ILE 30 -4.348 -1.354 -0.107 257 2HD1 ILE 30 HD12 ILE 30 -5.008 -2.965 -0.388 258 3HD1 ILE 30 HD13 ILE 30 -3.625 -2.753 0.684 259 H TYR 31 HN TYR 31 -9.707 -2.728 0.566 260 HA TYR 31 HA TYR 31 -11.122 -0.321 -0.021 261 1HB TYR 31 HB2 TYR 31 -11.835 -3.239 -0.150 262 2HB TYR 31 HB1 TYR 31 -13.062 -2.030 -0.483 263 HD1 TYR 31 HD1 TYR 31 -12.710 -0.371 -2.313 264 HD2 TYR 31 HD2 TYR 31 -10.097 -3.729 -1.742 265 HE1 TYR 31 HE1 TYR 31 -11.847 -0.102 -4.616 266 HE2 TYR 31 HE2 TYR 31 -9.242 -3.457 -4.055 267 HH TYR 31 HH TYR 31 -10.793 -1.461 -6.347 268 H GLN 32 HN GLN 32 -11.855 -2.862 2.390 269 HA GLN 32 HA GLN 32 -14.187 -1.621 3.448 270 1HB GLN 32 HB2 GLN 32 -12.148 -3.459 4.725 271 2HB GLN 32 HB1 GLN 32 -13.619 -2.945 5.545 272 1HG GLN 32 HG2 GLN 32 -14.236 -4.999 4.583 273 2HG GLN 32 HG1 GLN 32 -14.852 -3.824 3.425 274 1HE2 GLN 32 HE21 GLN 32 -14.006 -3.894 1.300 275 2HE2 GLN 32 HE22 GLN 32 -12.759 -4.938 0.815 276 H PHE 33 HN PHE 33 -10.764 -1.189 4.215 277 HA PHE 33 HA PHE 33 -11.072 0.405 6.544 278 1HB PHE 33 HB2 PHE 33 -8.912 -0.546 5.661 279 2HB PHE 33 HB1 PHE 33 -8.930 0.706 4.419 280 HD1 PHE 33 HD1 PHE 33 -8.598 3.068 4.995 281 HD2 PHE 33 HD2 PHE 33 -8.510 0.001 8.001 282 HE1 PHE 33 HE1 PHE 33 -7.568 4.662 6.593 283 HE2 PHE 33 HE2 PHE 33 -7.483 1.595 9.599 284 HZ PHE 33 HZ PHE 33 -7.011 3.925 8.894 285 H ILE 34 HN ILE 34 -10.745 1.437 3.122 286 HA ILE 34 HA ILE 34 -11.048 4.225 3.671 287 HB ILE 34 HB ILE 34 -11.629 2.627 1.165 288 1HG1 ILE 34 HG12 ILE 34 -9.298 4.433 1.869 289 2HG1 ILE 34 HG11 ILE 34 -9.273 2.685 2.099 290 1HG2 ILE 34 HG21 ILE 34 -11.611 5.603 1.708 291 2HG2 ILE 34 HG22 ILE 34 -12.861 4.650 0.908 292 3HG2 ILE 34 HG23 ILE 34 -11.327 4.954 0.094 293 1HD1 ILE 34 HD11 ILE 34 -9.879 4.000 -0.559 294 2HD1 ILE 34 HD12 ILE 34 -9.566 2.291 -0.256 295 3HD1 ILE 34 HD13 ILE 34 -8.265 3.471 -0.083 296 H MET 35 HN MET 35 -13.495 1.834 2.563 297 HA MET 35 HA MET 35 -15.648 3.714 2.582 298 1HB MET 35 HB2 MET 35 -15.607 0.701 2.803 299 2HB MET 35 HB1 MET 35 -17.101 1.635 2.730 300 1HG MET 35 HG2 MET 35 -16.334 2.646 0.591 301 2HG MET 35 HG1 MET 35 -14.896 1.630 0.646 302 1HE MET 35 HE1 MET 35 -15.070 -0.913 -0.775 303 2HE MET 35 HE2 MET 35 -15.984 -1.872 0.386 304 3HE MET 35 HE3 MET 35 -14.838 -0.666 0.961 305 H ASP 36 HN ASP 36 -14.529 1.420 5.089 306 HA ASP 36 HA ASP 36 -16.624 2.020 6.946 307 1HB ASP 36 HB2 ASP 36 -13.820 0.952 7.343 308 2HB ASP 36 HB1 ASP 36 -14.996 1.091 8.651 309 H ARG 37 HN ARG 37 -13.330 3.377 6.615 310 HA ARG 37 HA ARG 37 -13.629 5.163 8.864 311 1HB ARG 37 HB2 ARG 37 -11.769 5.286 6.478 312 2HB ARG 37 HB1 ARG 37 -11.635 6.310 7.899 313 1HG ARG 37 HG2 ARG 37 -11.571 3.283 8.006 314 2HG ARG 37 HG1 ARG 37 -10.122 4.267 7.888 315 1HD ARG 37 HD2 ARG 37 -12.107 4.131 10.164 316 2HD ARG 37 HD1 ARG 37 -10.393 3.770 10.204 317 HE ARG 37 HE ARG 37 -11.600 6.326 10.658 318 1HH1 ARG 37 HH21 ARG 37 -8.934 4.897 8.986 319 2HH1 ARG 37 HH22 ARG 37 -8.085 6.395 8.819 320 1HH2 ARG 37 HH11 ARG 37 -10.498 8.261 10.456 321 2HH2 ARG 37 HH12 ARG 37 -8.963 8.294 9.652 322 H PHE 38 HN PHE 38 -14.140 5.564 5.371 323 HA PHE 38 HA PHE 38 -15.450 8.207 5.954 324 1HB PHE 38 HB2 PHE 38 -13.981 7.422 3.420 325 2HB PHE 38 HB1 PHE 38 -14.687 8.993 3.792 326 HD1 PHE 38 HD1 PHE 38 -11.879 6.728 4.372 327 HD2 PHE 38 HD2 PHE 38 -13.708 10.427 5.565 328 HE1 PHE 38 HE1 PHE 38 -9.772 7.409 5.490 329 HE2 PHE 38 HE2 PHE 38 -11.600 11.108 6.682 330 HZ PHE 38 HZ PHE 38 -9.633 9.598 6.645 331 HA PRO 39 HA PRO 39 -18.667 5.194 4.400 332 1HB PRO 39 HB2 PRO 39 -20.254 7.452 5.588 333 2HB PRO 39 HB1 PRO 39 -20.530 5.702 5.702 334 1HG PRO 39 HG2 PRO 39 -19.485 7.033 7.741 335 2HG PRO 39 HG1 PRO 39 -18.896 5.416 7.317 336 1HD PRO 39 HD2 PRO 39 -17.599 8.075 6.848 337 2HD PRO 39 HD1 PRO 39 -16.846 6.501 7.196 338 H PHE 40 HN PHE 40 -17.638 8.297 3.601 339 HA PHE 40 HA PHE 40 -19.651 9.252 1.839 340 1HB PHE 40 HB2 PHE 40 -17.874 10.721 2.461 341 2HB PHE 40 HB1 PHE 40 -16.645 9.581 1.922 342 HD1 PHE 40 HD1 PHE 40 -19.505 11.649 0.665 343 HD2 PHE 40 HD2 PHE 40 -15.772 9.725 -0.256 344 HE1 PHE 40 HE1 PHE 40 -19.516 12.701 -1.580 345 HE2 PHE 40 HE2 PHE 40 -15.788 10.776 -2.503 346 HZ PHE 40 HZ PHE 40 -17.659 12.263 -3.165 347 H TYR 41 HN TYR 41 -16.897 7.079 1.257 348 HA TYR 41 HA TYR 41 -17.362 6.818 -1.570 349 1HB TYR 41 HB2 TYR 41 -15.854 5.096 0.405 350 2HB TYR 41 HB1 TYR 41 -15.833 4.839 -1.343 351 HD1 TYR 41 HD1 TYR 41 -14.606 6.302 -2.808 352 HD2 TYR 41 HD2 TYR 41 -15.004 7.222 1.359 353 HE1 TYR 41 HE1 TYR 41 -12.897 8.081 -3.047 354 HE2 TYR 41 HE2 TYR 41 -13.302 9.005 1.136 355 HH TYR 41 HH TYR 41 -12.180 10.299 -0.409 356 H ARG 42 HN ARG 42 -18.828 5.295 1.199 357 HA ARG 42 HA ARG 42 -19.667 2.859 -0.008 358 1HB ARG 42 HB2 ARG 42 -20.966 4.555 2.137 359 2HB ARG 42 HB1 ARG 42 -21.567 2.966 1.664 360 1HG ARG 42 HG2 ARG 42 -19.346 1.991 2.191 361 2HG ARG 42 HG1 ARG 42 -18.794 3.576 2.731 362 1HD ARG 42 HD2 ARG 42 -19.490 2.349 4.691 363 2HD ARG 42 HD1 ARG 42 -20.718 3.580 4.378 364 HE ARG 42 HE ARG 42 -21.662 1.376 3.009 365 1HH1 ARG 42 HH21 ARG 42 -20.561 2.010 6.218 366 2HH1 ARG 42 HH22 ARG 42 -21.600 0.831 6.946 367 1HH2 ARG 42 HH11 ARG 42 -23.017 -0.165 3.942 368 2HH2 ARG 42 HH12 ARG 42 -22.990 -0.399 5.658 369 H GLU 43 HN GLU 43 -21.137 6.101 -0.067 370 HA GLU 43 HA GLU 43 -23.380 5.116 -1.697 371 1HB GLU 43 HB2 GLU 43 -22.593 7.919 -0.845 372 2HB GLU 43 HB1 GLU 43 -24.067 7.514 -1.725 373 1HG GLU 43 HG2 GLU 43 -24.768 6.034 0.122 374 2HG GLU 43 HG1 GLU 43 -23.296 6.438 1.004 375 H ASN 44 HN ASN 44 -20.255 5.658 -2.371 376 HA ASN 44 HA ASN 44 -20.854 6.423 -5.206 377 1HB ASN 44 HB2 ASN 44 -18.506 7.412 -3.560 378 2HB ASN 44 HB1 ASN 44 -18.781 7.749 -5.268 379 1HD2 ASN 44 HD21 ASN 44 -18.938 9.367 -2.502 380 2HD2 ASN 44 HD22 ASN 44 -20.338 10.298 -2.731 381 H LYS 45 HN LYS 45 -20.310 4.697 -6.405 382 HA LYS 45 HA LYS 45 -17.960 3.015 -5.600 383 1HB LYS 45 HB2 LYS 45 -20.396 2.404 -7.299 384 2HB LYS 45 HB1 LYS 45 -19.046 1.294 -7.063 385 1HG LYS 45 HG2 LYS 45 -19.441 1.327 -4.624 386 2HG LYS 45 HG1 LYS 45 -20.797 2.429 -4.862 387 1HD LYS 45 HD2 LYS 45 -21.943 0.733 -6.235 388 2HD LYS 45 HD1 LYS 45 -20.590 -0.375 -6.001 389 1HE LYS 45 HE2 LYS 45 -22.521 -0.777 -4.433 390 2HE LYS 45 HE1 LYS 45 -20.990 -0.462 -3.617 391 1HZ LYS 45 HZ1 LYS 45 -22.655 1.849 -4.227 392 2HZ LYS 45 HZ2 LYS 45 -21.687 1.531 -2.867 393 3HZ LYS 45 HZ3 LYS 45 -23.219 0.809 -3.010 394 H GLN 46 HN GLN 46 -18.439 5.581 -7.328 395 HA GLN 46 HA GLN 46 -17.970 5.201 -10.026 396 1HB GLN 46 HB2 GLN 46 -16.806 7.283 -8.168 397 2HB GLN 46 HB1 GLN 46 -16.651 7.360 -9.923 398 1HG GLN 46 HG2 GLN 46 -19.053 7.443 -10.198 399 2HG GLN 46 HG1 GLN 46 -19.306 7.150 -8.477 400 1HE2 GLN 46 HE21 GLN 46 -20.528 9.403 -9.124 401 2HE2 GLN 46 HE22 GLN 46 -19.619 10.793 -8.772 402 H GLY 47 HN GLY 47 -15.716 5.969 -11.024 403 1HA GLY 47 HA2 GLY 47 -14.000 3.801 -11.112 404 2HA GLY 47 HA1 GLY 47 -13.482 5.440 -11.492 405 H TRP 48 HN TRP 48 -14.378 5.829 -8.402 406 HA TRP 48 HA TRP 48 -11.702 5.911 -7.410 407 1HB TRP 48 HB2 TRP 48 -12.637 6.636 -5.408 408 2HB TRP 48 HB1 TRP 48 -14.014 6.909 -6.468 409 HD1 TRP 48 HD1 TRP 48 -16.167 5.538 -6.025 410 HE1 TRP 48 HE1 TRP 48 -16.840 3.749 -4.293 411 HE3 TRP 48 HE3 TRP 48 -11.606 4.553 -3.951 412 HZ2 TRP 48 HZ2 TRP 48 -15.603 2.115 -2.282 413 HZ3 TRP 48 HZ3 TRP 48 -11.382 2.884 -2.133 414 HH2 TRP 48 HH2 TRP 48 -13.364 1.650 -1.305 415 H GLN 49 HN GLN 49 -14.243 3.482 -7.209 416 HA GLN 49 HA GLN 49 -12.981 1.659 -5.467 417 1HB GLN 49 HB2 GLN 49 -15.336 1.502 -6.104 418 2HB GLN 49 HB1 GLN 49 -14.883 1.136 -7.766 419 1HG GLN 49 HG2 GLN 49 -13.820 -0.948 -7.061 420 2HG GLN 49 HG1 GLN 49 -14.126 -0.563 -5.366 421 1HE2 GLN 49 HE21 GLN 49 -15.170 -2.949 -6.565 422 2HE2 GLN 49 HE22 GLN 49 -16.861 -2.815 -6.639 423 H ASN 50 HN ASN 50 -12.937 1.678 -9.054 424 HA ASN 50 HA ASN 50 -11.114 -0.570 -9.194 425 1HB ASN 50 HB2 ASN 50 -11.979 1.511 -11.219 426 2HB ASN 50 HB1 ASN 50 -10.915 0.159 -11.612 427 1HD2 ASN 50 HD21 ASN 50 -13.753 0.686 -12.528 428 2HD2 ASN 50 HD22 ASN 50 -14.625 -0.699 -12.079 429 H SER 51 HN SER 51 -10.691 2.954 -9.408 430 HA SER 51 HA SER 51 -8.030 3.076 -10.255 431 1HB SER 51 HB2 SER 51 -7.904 5.232 -9.100 432 2HB SER 51 HB1 SER 51 -9.478 5.054 -9.869 433 HG SER 51 HG SER 51 -9.645 5.786 -7.705 434 H ILE 52 HN ILE 52 -9.251 2.161 -7.076 435 HA ILE 52 HA ILE 52 -6.836 2.475 -5.613 436 HB ILE 52 HB ILE 52 -9.126 0.517 -5.311 437 1HG1 ILE 52 HG12 ILE 52 -9.385 3.098 -5.030 438 2HG1 ILE 52 HG11 ILE 52 -10.042 2.036 -3.794 439 1HG2 ILE 52 HG21 ILE 52 -6.690 0.959 -3.591 440 2HG2 ILE 52 HG22 ILE 52 -7.376 -0.562 -4.164 441 3HG2 ILE 52 HG23 ILE 52 -8.200 0.357 -2.904 442 1HD1 ILE 52 HD11 ILE 52 -8.599 4.111 -3.083 443 2HD1 ILE 52 HD12 ILE 52 -7.235 3.074 -3.489 444 3HD1 ILE 52 HD13 ILE 52 -8.379 2.574 -2.253 445 H ARG 53 HN ARG 53 -8.082 -0.474 -7.234 446 HA ARG 53 HA ARG 53 -5.678 -1.980 -6.690 447 1HB ARG 53 HB2 ARG 53 -7.996 -2.346 -8.600 448 2HB ARG 53 HB1 ARG 53 -6.653 -3.488 -8.534 449 1HG ARG 53 HG2 ARG 53 -7.159 -4.171 -6.371 450 2HG ARG 53 HG1 ARG 53 -8.027 -2.697 -5.978 451 1HD ARG 53 HD2 ARG 53 -9.575 -4.585 -6.239 452 2HD ARG 53 HD1 ARG 53 -9.853 -3.378 -7.503 453 HE ARG 53 HE ARG 53 -8.104 -5.111 -8.713 454 1HH1 ARG 53 HH21 ARG 53 -11.008 -5.483 -6.893 455 2HH1 ARG 53 HH22 ARG 53 -11.547 -6.868 -7.781 456 1HH2 ARG 53 HH11 ARG 53 -8.794 -6.918 -9.888 457 2HH2 ARG 53 HH12 ARG 53 -10.295 -7.679 -9.478 458 H HIS 54 HN HIS 54 -6.805 -0.120 -9.516 459 HA HIS 54 HA HIS 54 -4.602 -0.842 -11.203 460 1HB HIS 54 HB2 HIS 54 -6.494 1.514 -11.157 461 2HB HIS 54 HB1 HIS 54 -5.178 1.423 -12.329 462 HD1 HIS 54 HD1 HIS 54 -8.393 -0.280 -11.346 463 HD2 HIS 54 HD2 HIS 54 -5.503 -0.557 -14.337 464 HE1 HIS 54 HE1 HIS 54 -9.333 -1.837 -13.107 465 H ASN 55 HN ASN 55 -5.057 1.763 -8.827 466 HA ASN 55 HA ASN 55 -2.563 3.089 -9.348 467 1HB ASN 55 HB2 ASN 55 -4.244 2.889 -6.829 468 2HB ASN 55 HB1 ASN 55 -2.820 3.920 -6.971 469 1HD2 ASN 55 HD21 ASN 55 -5.458 4.990 -6.516 470 2HD2 ASN 55 HD22 ASN 55 -5.904 5.888 -7.886 471 H LEU 56 HN LEU 56 -3.508 0.413 -7.218 472 HA LEU 56 HA LEU 56 -0.933 0.104 -5.968 473 1HB LEU 56 HB2 LEU 56 -3.261 -1.786 -6.339 474 2HB LEU 56 HB1 LEU 56 -1.819 -2.216 -5.424 475 HG LEU 56 HG LEU 56 -3.515 0.230 -4.840 476 1HD1 LEU 56 HD11 LEU 56 -4.354 -1.133 -2.900 477 2HD1 LEU 56 HD12 LEU 56 -3.565 -2.541 -3.613 478 3HD1 LEU 56 HD13 LEU 56 -4.881 -1.739 -4.470 479 1HD2 LEU 56 HD21 LEU 56 -1.097 -1.040 -3.584 480 2HD2 LEU 56 HD22 LEU 56 -2.277 -0.275 -2.527 481 3HD2 LEU 56 HD23 LEU 56 -1.491 0.665 -3.789 482 H SER 57 HN SER 57 -2.446 -1.392 -8.821 483 HA SER 57 HA SER 57 -0.246 -3.197 -9.317 484 1HB SER 57 HB2 SER 57 -2.471 -3.606 -10.274 485 2HB SER 57 HB1 SER 57 -2.358 -2.117 -11.207 486 HG SER 57 HG SER 57 -0.314 -4.024 -11.406 487 H LEU 58 HN LEU 58 -1.123 0.010 -10.610 488 HA LEU 58 HA LEU 58 1.164 0.167 -12.363 489 1HB LEU 58 HB2 LEU 58 -0.592 2.335 -11.181 490 2HB LEU 58 HB1 LEU 58 0.634 2.620 -12.413 491 HG LEU 58 HG LEU 58 -1.573 0.589 -12.792 492 1HD1 LEU 58 HD11 LEU 58 -1.570 3.525 -13.563 493 2HD1 LEU 58 HD12 LEU 58 -2.632 2.765 -12.379 494 3HD1 LEU 58 HD13 LEU 58 -2.770 2.343 -14.086 495 1HD2 LEU 58 HD21 LEU 58 0.378 2.018 -14.618 496 2HD2 LEU 58 HD22 LEU 58 -1.067 1.225 -15.236 497 3HD2 LEU 58 HD23 LEU 58 0.160 0.281 -14.404 498 H ASN 59 HN ASN 59 0.514 1.252 -9.046 499 HA ASN 59 HA ASN 59 3.104 2.548 -8.778 500 1HB ASN 59 HB2 ASN 59 1.136 1.624 -6.661 501 2HB ASN 59 HB1 ASN 59 2.527 2.668 -6.372 502 1HD2 ASN 59 HD21 ASN 59 2.224 4.180 -8.899 503 2HD2 ASN 59 HD22 ASN 59 0.852 5.162 -8.706 504 H GLU 60 HN GLU 60 4.858 1.236 -8.996 505 HA GLU 60 HA GLU 60 4.850 -1.491 -7.846 506 1HB GLU 60 HB2 GLU 60 6.880 0.081 -9.465 507 2HB GLU 60 HB1 GLU 60 7.162 -1.556 -8.870 508 1HG GLU 60 HG2 GLU 60 5.182 -2.355 -10.098 509 2HG GLU 60 HG1 GLU 60 4.877 -0.721 -10.685 510 H CYS 61 HN CYS 61 5.307 1.564 -6.747 511 HA CYS 61 HA CYS 61 7.703 1.463 -5.214 512 1HB CYS 61 HB2 CYS 61 5.082 2.899 -4.684 513 2HB CYS 61 HB1 CYS 61 6.576 3.196 -3.794 514 HG CYS 61 HG CYS 61 6.751 3.509 -6.869 515 H PHE 62 HN PHE 62 4.462 0.211 -4.620 516 HA PHE 62 HA PHE 62 5.027 -0.524 -1.849 517 1HB PHE 62 HB2 PHE 62 2.815 -1.450 -3.714 518 2HB PHE 62 HB1 PHE 62 2.856 -1.677 -1.965 519 HD1 PHE 62 HD1 PHE 62 2.158 0.632 -4.683 520 HD2 PHE 62 HD2 PHE 62 2.803 0.325 -0.445 521 HE1 PHE 62 HE1 PHE 62 1.170 2.883 -4.369 522 HE2 PHE 62 HE2 PHE 62 1.809 2.576 -0.133 523 HZ PHE 62 HZ PHE 62 0.994 3.851 -2.095 524 H VAL 63 HN VAL 63 5.208 -2.755 -1.114 525 HA VAL 63 HA VAL 63 6.419 -4.577 -3.172 526 HB VAL 63 HB VAL 63 6.864 -4.467 -0.172 527 1HG1 VAL 63 HG11 VAL 63 8.699 -6.066 -0.671 528 2HG1 VAL 63 HG12 VAL 63 8.173 -6.124 -2.352 529 3HG1 VAL 63 HG13 VAL 63 7.120 -6.738 -1.078 530 1HG2 VAL 63 HG21 VAL 63 8.577 -3.593 -2.519 531 2HG2 VAL 63 HG22 VAL 63 9.144 -3.688 -0.852 532 3HG2 VAL 63 HG23 VAL 63 7.871 -2.547 -1.287 533 H LYS 64 HN LYS 64 5.278 -6.385 -3.602 534 HA LYS 64 HA LYS 64 2.856 -7.014 -2.108 535 1HB LYS 64 HB2 LYS 64 4.291 -8.551 -4.300 536 2HB LYS 64 HB1 LYS 64 2.677 -8.914 -3.691 537 1HG LYS 64 HG2 LYS 64 1.899 -6.686 -4.398 538 2HG LYS 64 HG1 LYS 64 3.512 -6.319 -5.013 539 1HD LYS 64 HD2 LYS 64 3.364 -8.200 -6.584 540 2HD LYS 64 HD1 LYS 64 1.768 -8.613 -5.959 541 1HE LYS 64 HE2 LYS 64 0.790 -6.654 -6.835 542 2HE LYS 64 HE1 LYS 64 2.352 -5.869 -7.075 543 1HZ LYS 64 HZ1 LYS 64 2.458 -8.212 -8.516 544 2HZ LYS 64 HZ2 LYS 64 2.291 -6.639 -9.137 545 3HZ LYS 64 HZ3 LYS 64 0.912 -7.583 -8.821 546 H VAL 65 HN VAL 65 2.499 -9.032 -0.965 547 HA VAL 65 HA VAL 65 5.004 -10.328 0.078 548 HB VAL 65 HB VAL 65 2.418 -9.960 1.597 549 1HG1 VAL 65 HG11 VAL 65 5.216 -10.482 2.620 550 2HG1 VAL 65 HG12 VAL 65 4.097 -11.784 2.216 551 3HG1 VAL 65 HG13 VAL 65 3.695 -10.641 3.498 552 1HG2 VAL 65 HG21 VAL 65 4.891 -8.223 1.456 553 2HG2 VAL 65 HG22 VAL 65 3.798 -8.188 2.839 554 3HG2 VAL 65 HG23 VAL 65 3.208 -7.737 1.240 555 HA PRO 66 HA PRO 66 2.602 -13.565 -2.245 556 1HB PRO 66 HB2 PRO 66 5.077 -15.003 -1.323 557 2HB PRO 66 HB1 PRO 66 4.238 -15.095 -2.886 558 1HG PRO 66 HG2 PRO 66 6.459 -13.671 -2.636 559 2HG PRO 66 HG1 PRO 66 5.111 -13.080 -3.625 560 1HD PRO 66 HD2 PRO 66 6.016 -12.149 -0.932 561 2HD PRO 66 HD1 PRO 66 5.236 -11.226 -2.238 562 H ARG 67 HN ARG 67 1.464 -15.397 -1.490 563 HA ARG 67 HA ARG 67 1.553 -15.849 1.476 564 1HB ARG 67 HB2 ARG 67 -0.544 -14.803 0.579 565 2HB ARG 67 HB1 ARG 67 -0.785 -16.241 -0.415 566 1HG ARG 67 HG2 ARG 67 -0.930 -17.648 1.556 567 2HG ARG 67 HG1 ARG 67 -0.510 -16.293 2.605 568 1HD ARG 67 HD2 ARG 67 -2.569 -15.118 1.884 569 2HD ARG 67 HD1 ARG 67 -2.990 -16.498 0.871 570 HE ARG 67 HE ARG 67 -2.630 -17.571 3.420 571 1HH1 ARG 67 HH21 ARG 67 -4.517 -15.104 1.929 572 2HH1 ARG 67 HH22 ARG 67 -5.823 -15.232 3.058 573 1HH2 ARG 67 HH11 ARG 67 -4.324 -17.753 4.910 574 2HH2 ARG 67 HH12 ARG 67 -5.714 -16.733 4.747 575 H ASP 68 HN ASP 68 1.079 -18.065 2.146 576 HA ASP 68 HA ASP 68 2.622 -20.030 0.866 577 1HB ASP 68 HB2 ASP 68 0.242 -20.309 2.716 578 2HB ASP 68 HB1 ASP 68 1.246 -21.672 2.220 579 H ASP 69 HN ASP 69 1.776 -22.114 -0.092 580 HA ASP 69 HA ASP 69 0.202 -21.548 -2.437 581 1HB ASP 69 HB2 ASP 69 1.166 -24.137 -1.193 582 2HB ASP 69 HB1 ASP 69 0.320 -24.063 -2.739 583 H LYS 70 HN LYS 70 -0.573 -22.751 0.750 584 HA LYS 70 HA LYS 70 -3.114 -23.942 0.069 585 1HB LYS 70 HB2 LYS 70 -2.044 -22.846 2.684 586 2HB LYS 70 HB1 LYS 70 -3.549 -23.755 2.533 587 1HG LYS 70 HG2 LYS 70 -2.214 -25.624 1.486 588 2HG LYS 70 HG1 LYS 70 -0.750 -24.736 1.905 589 1HD LYS 70 HD2 LYS 70 -2.865 -25.518 3.930 590 2HD LYS 70 HD1 LYS 70 -1.439 -26.496 3.592 591 1HE LYS 70 HE2 LYS 70 -0.066 -24.379 4.097 592 2HE LYS 70 HE1 LYS 70 -1.554 -23.718 4.775 593 1HZ LYS 70 HZ1 LYS 70 0.115 -25.054 6.249 594 2HZ LYS 70 HZ2 LYS 70 -0.709 -26.394 5.608 595 3HZ LYS 70 HZ3 LYS 70 -1.559 -25.205 6.476 596 H LYS 71 HN LYS 71 -3.030 -21.540 -1.276 597 HA LYS 71 HA LYS 71 -4.632 -19.590 0.295 598 1HB LYS 71 HB2 LYS 71 -4.359 -18.317 -2.011 599 2HB LYS 71 HB1 LYS 71 -3.012 -18.411 -0.880 600 1HG LYS 71 HG2 LYS 71 -1.913 -20.074 -2.115 601 2HG LYS 71 HG1 LYS 71 -3.374 -20.547 -2.975 602 1HD LYS 71 HD2 LYS 71 -2.341 -17.743 -3.334 603 2HD LYS 71 HD1 LYS 71 -1.515 -19.057 -4.165 604 1HE LYS 71 HE2 LYS 71 -3.710 -19.764 -5.137 605 2HE LYS 71 HE1 LYS 71 -4.456 -18.351 -4.390 606 1HZ LYS 71 HZ1 LYS 71 -3.697 -18.124 -6.779 607 2HZ LYS 71 HZ2 LYS 71 -2.110 -18.128 -6.176 608 3HZ LYS 71 HZ3 LYS 71 -3.196 -16.909 -5.706 609 HA PRO 72 HA PRO 72 -8.101 -21.436 -2.044 610 1HB PRO 72 HB2 PRO 72 -10.114 -20.732 -0.394 611 2HB PRO 72 HB1 PRO 72 -8.987 -22.035 0.029 612 1HG PRO 72 HG2 PRO 72 -9.074 -19.220 1.001 613 2HG PRO 72 HG1 PRO 72 -8.695 -20.705 1.888 614 1HD PRO 72 HD2 PRO 72 -6.790 -18.922 0.872 615 2HD PRO 72 HD1 PRO 72 -6.466 -20.612 1.313 616 H GLY 73 HN GLY 73 -7.046 -18.431 -1.888 617 1HA GLY 73 HA2 GLY 73 -8.570 -17.349 -3.992 618 2HA GLY 73 HA1 GLY 73 -9.325 -16.783 -2.501 619 H LYS 74 HN LYS 74 -7.878 -15.644 -0.941 620 HA LYS 74 HA LYS 74 -6.370 -13.568 -2.184 621 1HB LYS 74 HB2 LYS 74 -6.311 -14.600 0.670 622 2HB LYS 74 HB1 LYS 74 -5.573 -13.086 0.141 623 1HG LYS 74 HG2 LYS 74 -7.776 -12.282 -0.633 624 2HG LYS 74 HG1 LYS 74 -8.514 -13.792 -0.099 625 1HD LYS 74 HD2 LYS 74 -7.803 -13.325 2.217 626 2HD LYS 74 HD1 LYS 74 -7.067 -11.813 1.685 627 1HE LYS 74 HE2 LYS 74 -9.338 -11.464 2.648 628 2HE LYS 74 HE1 LYS 74 -9.247 -10.971 0.957 629 1HZ LYS 74 HZ1 LYS 74 -11.161 -12.520 1.840 630 2HZ LYS 74 HZ2 LYS 74 -10.011 -13.733 1.535 631 3HZ LYS 74 HZ3 LYS 74 -10.520 -12.706 0.280 632 H GLY 75 HN GLY 75 -4.133 -13.380 -2.582 633 1HA GLY 75 HA2 GLY 75 -2.472 -15.817 -1.996 634 2HA GLY 75 HA1 GLY 75 -2.422 -15.002 -3.552 635 H SER 76 HN SER 76 -2.632 -12.348 -1.763 636 HA SER 76 HA SER 76 0.042 -12.399 -0.545 637 1HB SER 76 HB2 SER 76 -0.428 -10.652 -2.972 638 2HB SER 76 HB1 SER 76 1.057 -10.779 -2.034 639 HG SER 76 HG SER 76 0.434 -12.188 -4.104 640 H TYR 77 HN TYR 77 0.573 -10.483 0.596 641 HA TYR 77 HA TYR 77 -1.759 -8.685 1.170 642 1HB TYR 77 HB2 TYR 77 0.662 -9.196 2.925 643 2HB TYR 77 HB1 TYR 77 -0.816 -8.342 3.362 644 HD1 TYR 77 HD1 TYR 77 0.470 -11.670 2.266 645 HD2 TYR 77 HD2 TYR 77 -2.652 -9.514 4.272 646 HE1 TYR 77 HE1 TYR 77 -0.545 -13.815 2.986 647 HE2 TYR 77 HE2 TYR 77 -3.672 -11.658 4.991 648 HH TYR 77 HH TYR 77 -2.212 -14.783 4.071 649 H TRP 78 HN TRP 78 -1.076 -6.408 1.701 650 HA TRP 78 HA TRP 78 1.262 -5.585 0.007 651 1HB TRP 78 HB2 TRP 78 -1.312 -4.161 0.732 652 2HB TRP 78 HB1 TRP 78 0.034 -3.390 -0.111 653 HD1 TRP 78 HD1 TRP 78 -2.514 -6.242 -0.531 654 HE1 TRP 78 HE1 TRP 78 -2.744 -6.760 -3.048 655 HE3 TRP 78 HE3 TRP 78 1.120 -3.180 -2.405 656 HZ2 TRP 78 HZ2 TRP 78 -1.536 -5.984 -5.528 657 HZ3 TRP 78 HZ3 TRP 78 1.555 -3.085 -4.840 658 HH2 TRP 78 HH2 TRP 78 0.228 -4.468 -6.403 659 H THR 79 HN THR 79 2.953 -4.686 1.067 660 HA THR 79 HA THR 79 2.481 -3.278 3.650 661 HB THR 79 HB THR 79 3.125 -5.654 4.135 662 HG1 THR 79 HG1 THR 79 3.817 -3.653 5.337 663 1HG2 THR 79 HG21 THR 79 4.586 -5.805 2.047 664 2HG2 THR 79 HG22 THR 79 5.270 -6.490 3.520 665 3HG2 THR 79 HG23 THR 79 5.805 -4.908 2.954 666 H LEU 80 HN LEU 80 4.300 -1.882 4.238 667 HA LEU 80 HA LEU 80 5.447 -0.566 1.911 668 1HB LEU 80 HB2 LEU 80 5.956 -0.125 4.867 669 2HB LEU 80 HB1 LEU 80 6.457 0.960 3.574 670 HG LEU 80 HG LEU 80 3.575 0.181 4.105 671 1HD1 LEU 80 HD11 LEU 80 4.950 2.787 4.809 672 2HD1 LEU 80 HD12 LEU 80 4.679 1.488 5.972 673 3HD1 LEU 80 HD13 LEU 80 3.306 2.299 5.219 674 1HD2 LEU 80 HD21 LEU 80 4.954 2.103 2.227 675 2HD2 LEU 80 HD22 LEU 80 3.295 2.400 2.745 676 3HD2 LEU 80 HD23 LEU 80 3.691 0.925 1.871 677 H ASP 81 HN ASP 81 7.872 0.029 2.034 678 HA ASP 81 HA ASP 81 9.465 -2.199 1.546 679 1HB ASP 81 HB2 ASP 81 10.709 0.233 2.819 680 2HB ASP 81 HB1 ASP 81 11.263 -0.700 1.429 681 HA PRO 82 HA PRO 82 10.631 -3.950 5.433 682 1HB PRO 82 HB2 PRO 82 13.544 -3.443 5.168 683 2HB PRO 82 HB1 PRO 82 12.672 -4.985 5.175 684 1HG PRO 82 HG2 PRO 82 13.789 -3.998 2.948 685 2HG PRO 82 HG1 PRO 82 12.275 -4.919 2.906 686 1HD PRO 82 HD2 PRO 82 12.671 -1.939 2.775 687 2HD PRO 82 HD1 PRO 82 11.576 -2.973 1.819 688 H ASP 83 HN ASP 83 13.148 -3.124 6.955 689 HA ASP 83 HA ASP 83 11.891 -0.861 8.383 690 1HB ASP 83 HB2 ASP 83 14.347 -2.540 8.972 691 2HB ASP 83 HB1 ASP 83 13.790 -1.211 9.991 692 H SER 84 HN SER 84 13.716 -1.044 5.702 693 HA SER 84 HA SER 84 15.963 0.612 6.101 694 1HB SER 84 HB2 SER 84 15.560 1.321 3.682 695 2HB SER 84 HB1 SER 84 15.700 -0.411 3.960 696 HG SER 84 HG SER 84 13.448 1.151 3.368 697 H TYR 85 HN TYR 85 15.223 2.162 7.725 698 HA TYR 85 HA TYR 85 13.124 4.059 7.013 699 1HB TYR 85 HB2 TYR 85 13.920 3.222 9.389 700 2HB TYR 85 HB1 TYR 85 15.093 4.530 9.246 701 HD1 TYR 85 HD1 TYR 85 14.360 6.877 9.159 702 HD2 TYR 85 HD2 TYR 85 11.539 3.659 9.526 703 HE1 TYR 85 HE1 TYR 85 12.590 8.502 9.776 704 HE2 TYR 85 HE2 TYR 85 9.768 5.284 10.145 705 HH TYR 85 HH TYR 85 9.543 7.506 11.034 706 H ASN 86 HN ASN 86 16.536 4.657 7.911 707 HA ASN 86 HA ASN 86 16.571 6.922 5.949 708 1HB ASN 86 HB2 ASN 86 18.433 7.791 7.303 709 2HB ASN 86 HB1 ASN 86 16.990 7.559 8.288 710 1HD2 ASN 86 HD21 ASN 86 17.812 4.469 7.844 711 2HD2 ASN 86 HD22 ASN 86 18.908 4.232 9.117 712 H MET 87 HN MET 87 17.163 3.913 5.699 713 HA MET 87 HA MET 87 20.014 3.859 4.998 714 1HB MET 87 HB2 MET 87 17.801 1.823 4.625 715 2HB MET 87 HB1 MET 87 19.494 1.529 4.246 716 1HG MET 87 HG2 MET 87 19.172 2.592 6.967 717 2HG MET 87 HG1 MET 87 18.261 1.105 6.736 718 1HE MET 87 HE1 MET 87 22.765 1.773 6.303 719 2HE MET 87 HE2 MET 87 21.494 2.965 6.563 720 3HE MET 87 HE3 MET 87 21.696 2.234 4.972 721 H PHE 88 HN PHE 88 20.781 4.467 3.062 722 HA PHE 88 HA PHE 88 19.092 4.130 0.627 723 1HB PHE 88 HB2 PHE 88 20.418 6.674 1.583 724 2HB PHE 88 HB1 PHE 88 20.048 6.411 -0.122 725 HD1 PHE 88 HD1 PHE 88 17.673 5.971 -0.825 726 HD2 PHE 88 HD2 PHE 88 18.700 7.224 3.152 727 HE1 PHE 88 HE1 PHE 88 15.316 6.629 -0.426 728 HE2 PHE 88 HE2 PHE 88 16.342 7.883 3.553 729 HZ PHE 88 HZ PHE 88 14.650 7.584 1.764 730 H GLU 89 HN GLU 89 21.918 3.521 2.201 731 HA GLU 89 HA GLU 89 23.302 2.821 -0.314 732 1HB GLU 89 HB2 GLU 89 25.380 3.930 0.407 733 2HB GLU 89 HB1 GLU 89 24.079 5.107 0.231 734 1HG GLU 89 HG2 GLU 89 23.653 4.959 2.682 735 2HG GLU 89 HG1 GLU 89 25.035 3.873 2.832 736 H ASN 90 HN ASN 90 25.356 1.527 0.285 737 HA ASN 90 HA ASN 90 24.719 -0.708 1.838 738 1HB ASN 90 HB2 ASN 90 27.234 -1.045 2.001 739 2HB ASN 90 HB1 ASN 90 26.622 -0.792 0.365 740 1HD2 ASN 90 HD21 ASN 90 26.469 2.094 2.183 741 2HD2 ASN 90 HD22 ASN 90 27.892 2.815 1.603 742 H GLY 91 HN GLY 91 24.971 -1.249 4.015 743 1HA GLY 91 HA2 GLY 91 25.091 0.991 5.886 744 2HA GLY 91 HA1 GLY 91 24.829 -0.699 6.312 745 H SER 92 HN SER 92 27.487 -0.598 4.313 746 HA SER 92 HA SER 92 29.322 -1.345 6.360 747 1HB SER 92 HB2 SER 92 31.070 -1.016 4.632 748 2HB SER 92 HB1 SER 92 29.692 -1.907 3.994 749 HG SER 92 HG SER 92 30.026 -0.352 2.520 750 H PHE 93 HN PHE 93 28.625 1.786 4.848 751 HA PHE 93 HA PHE 93 30.749 3.252 6.080 752 1HB PHE 93 HB2 PHE 93 29.482 4.245 4.261 753 2HB PHE 93 HB1 PHE 93 27.984 4.123 5.183 754 HD1 PHE 93 HD1 PHE 93 27.378 5.782 6.780 755 HD2 PHE 93 HD2 PHE 93 31.332 5.756 5.102 756 HE1 PHE 93 HE1 PHE 93 27.832 7.987 7.815 757 HE2 PHE 93 HE2 PHE 93 31.787 7.961 6.142 758 HZ PHE 93 HZ PHE 93 30.037 9.076 7.501 759 H LEU 94 HN LEU 94 30.973 3.976 8.166 760 HA LEU 94 HA LEU 94 28.874 3.208 10.106 761 1HB LEU 94 HB2 LEU 94 31.180 2.621 10.653 762 2HB LEU 94 HB1 LEU 94 31.683 4.299 10.469 763 HG LEU 94 HG LEU 94 30.319 4.966 12.376 764 1HD1 LEU 94 HD11 LEU 94 28.403 3.609 12.348 765 2HD1 LEU 94 HD12 LEU 94 29.291 2.966 13.727 766 3HD1 LEU 94 HD13 LEU 94 29.335 2.122 12.180 767 1HD2 LEU 94 HD21 LEU 94 31.598 3.925 14.102 768 2HD2 LEU 94 HD22 LEU 94 32.633 3.907 12.675 769 3HD2 LEU 94 HD23 LEU 94 31.785 2.441 13.167 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -22.529 19.469 5.667 2 2H MET 1 HT2 MET 1 -23.432 18.030 5.680 3 3H MET 1 HT3 MET 1 -24.108 19.455 5.048 4 HA MET 1 HA MET 1 -23.462 18.037 3.240 5 1HB MET 1 HB2 MET 1 -23.134 20.538 3.105 6 2HB MET 1 HB1 MET 1 -21.444 20.277 3.538 7 1HG MET 1 HG2 MET 1 -21.151 18.824 1.578 8 2HG MET 1 HG1 MET 1 -22.844 19.047 1.145 9 1HE MET 1 HE1 MET 1 -23.219 22.450 -0.249 10 2HE MET 1 HE2 MET 1 -23.578 22.101 1.440 11 3HE MET 1 HE3 MET 1 -23.894 20.882 0.207 12 H LEU 2 HN LEU 2 -21.948 16.622 2.323 13 HA LEU 2 HA LEU 2 -19.598 15.925 4.056 14 1HB LEU 2 HB2 LEU 2 -20.977 14.172 2.006 15 2HB LEU 2 HB1 LEU 2 -19.770 13.687 3.195 16 HG LEU 2 HG LEU 2 -22.575 14.675 3.782 17 1HD1 LEU 2 HD11 LEU 2 -22.979 12.418 4.551 18 2HD1 LEU 2 HD12 LEU 2 -21.282 11.987 4.331 19 3HD1 LEU 2 HD13 LEU 2 -22.298 12.317 2.928 20 1HD2 LEU 2 HD21 LEU 2 -21.293 15.480 5.590 21 2HD2 LEU 2 HD22 LEU 2 -20.194 14.103 5.550 22 3HD2 LEU 2 HD23 LEU 2 -21.835 13.906 6.165 23 H VAL 3 HN VAL 3 -17.588 15.842 3.129 24 HA VAL 3 HA VAL 3 -17.343 16.262 0.176 25 HB VAL 3 HB VAL 3 -15.498 17.882 0.623 26 1HG1 VAL 3 HG11 VAL 3 -17.013 19.745 1.467 27 2HG1 VAL 3 HG12 VAL 3 -18.257 18.518 1.694 28 3HG1 VAL 3 HG13 VAL 3 -17.623 18.844 0.080 29 1HG2 VAL 3 HG21 VAL 3 -15.424 18.877 2.934 30 2HG2 VAL 3 HG22 VAL 3 -14.873 17.202 2.864 31 3HG2 VAL 3 HG23 VAL 3 -16.485 17.576 3.473 32 H LYS 4 HN LYS 4 -15.173 15.633 -0.632 33 HA LYS 4 HA LYS 4 -14.241 13.201 0.618 34 1HB LYS 4 HB2 LYS 4 -13.269 14.886 -1.689 35 2HB LYS 4 HB1 LYS 4 -12.314 13.522 -1.112 36 1HG LYS 4 HG2 LYS 4 -13.798 12.845 -2.962 37 2HG LYS 4 HG1 LYS 4 -14.230 12.017 -1.466 38 1HD LYS 4 HD2 LYS 4 -16.126 13.397 -1.117 39 2HD LYS 4 HD1 LYS 4 -15.574 14.593 -2.289 40 1HE LYS 4 HE2 LYS 4 -16.305 11.747 -3.025 41 2HE LYS 4 HE1 LYS 4 -17.430 13.102 -3.130 42 1HZ LYS 4 HZ1 LYS 4 -14.967 12.618 -4.675 43 2HZ LYS 4 HZ2 LYS 4 -15.563 14.197 -4.485 44 3HZ LYS 4 HZ3 LYS 4 -16.519 13.010 -5.236 45 HA PRO 5 HA PRO 5 -11.299 15.146 3.327 46 1HB PRO 5 HB2 PRO 5 -9.708 13.112 4.003 47 2HB PRO 5 HB1 PRO 5 -11.434 13.083 4.410 48 1HG PRO 5 HG2 PRO 5 -10.030 11.786 2.108 49 2HG PRO 5 HG1 PRO 5 -11.205 11.082 3.236 50 1HD PRO 5 HD2 PRO 5 -11.916 12.029 0.757 51 2HD PRO 5 HD1 PRO 5 -13.020 12.042 2.152 52 HA PRO 6 HA PRO 6 -7.992 16.797 0.723 53 1HB PRO 6 HB2 PRO 6 -6.510 16.640 3.339 54 2HB PRO 6 HB1 PRO 6 -6.540 17.953 2.144 55 1HG PRO 6 HG2 PRO 6 -8.007 18.077 4.363 56 2HG PRO 6 HG1 PRO 6 -8.614 18.699 2.819 57 1HD PRO 6 HD2 PRO 6 -9.463 16.274 4.313 58 2HD PRO 6 HD1 PRO 6 -10.352 17.225 3.104 59 H TYR 7 HN TYR 7 -7.669 13.852 2.577 60 HA TYR 7 HA TYR 7 -4.997 13.173 1.748 61 1HB TYR 7 HB2 TYR 7 -7.145 11.132 2.316 62 2HB TYR 7 HB1 TYR 7 -5.416 11.025 2.644 63 HD1 TYR 7 HD1 TYR 7 -8.319 11.146 4.335 64 HD2 TYR 7 HD2 TYR 7 -4.721 13.474 4.002 65 HE1 TYR 7 HE1 TYR 7 -8.719 12.090 6.587 66 HE2 TYR 7 HE2 TYR 7 -5.123 14.414 6.256 67 HH TYR 7 HH TYR 7 -6.670 13.321 8.457 68 H SER 8 HN SER 8 -4.272 12.444 -0.174 69 HA SER 8 HA SER 8 -6.169 12.080 -2.383 70 1HB SER 8 HB2 SER 8 -4.136 11.784 -3.757 71 2HB SER 8 HB1 SER 8 -4.026 13.237 -2.767 72 HG SER 8 HG SER 8 -2.757 10.738 -2.446 73 H TYR 9 HN TYR 9 -5.554 10.058 -3.874 74 HA TYR 9 HA TYR 9 -6.375 7.717 -2.480 75 1HB TYR 9 HB2 TYR 9 -4.902 7.961 -5.119 76 2HB TYR 9 HB1 TYR 9 -5.733 6.514 -4.551 77 HD1 TYR 9 HD1 TYR 9 -8.174 6.433 -4.395 78 HD2 TYR 9 HD2 TYR 9 -6.147 9.936 -5.833 79 HE1 TYR 9 HE1 TYR 9 -10.317 7.308 -5.280 80 HE2 TYR 9 HE2 TYR 9 -8.291 10.813 -6.720 81 HH TYR 9 HH TYR 9 -11.018 8.936 -7.121 82 H ILE 10 HN ILE 10 -3.130 8.822 -3.456 83 HA ILE 10 HA ILE 10 -1.711 6.492 -2.619 84 HB ILE 10 HB ILE 10 -0.803 9.386 -2.619 85 1HG1 ILE 10 HG12 ILE 10 -1.569 8.699 -4.830 86 2HG1 ILE 10 HG11 ILE 10 0.188 8.799 -4.828 87 1HG2 ILE 10 HG21 ILE 10 0.664 6.768 -2.331 88 2HG2 ILE 10 HG22 ILE 10 0.789 8.220 -1.337 89 3HG2 ILE 10 HG23 ILE 10 1.475 8.203 -2.962 90 1HD1 ILE 10 HD11 ILE 10 -1.576 6.382 -4.972 91 2HD1 ILE 10 HD12 ILE 10 0.003 6.215 -4.206 92 3HD1 ILE 10 HD13 ILE 10 -0.111 6.754 -5.878 93 H ALA 11 HN ALA 11 -2.463 9.503 -0.844 94 HA ALA 11 HA ALA 11 -1.194 8.669 1.592 95 1HB ALA 11 HB1 ALA 11 -1.593 10.986 1.403 96 2HB ALA 11 HB2 ALA 11 -2.785 10.461 2.591 97 3HB ALA 11 HB3 ALA 11 -3.272 10.749 0.922 98 H LEU 12 HN LEU 12 -4.580 8.416 0.465 99 HA LEU 12 HA LEU 12 -5.644 7.376 2.896 100 1HB LEU 12 HB2 LEU 12 -6.446 6.913 0.012 101 2HB LEU 12 HB1 LEU 12 -7.383 6.320 1.380 102 HG LEU 12 HG LEU 12 -6.639 9.235 0.995 103 1HD1 LEU 12 HD11 LEU 12 -9.242 7.819 0.337 104 2HD1 LEU 12 HD12 LEU 12 -8.081 8.415 -0.849 105 3HD1 LEU 12 HD13 LEU 12 -8.939 9.551 0.191 106 1HD2 LEU 12 HD21 LEU 12 -8.343 7.697 2.953 107 2HD2 LEU 12 HD22 LEU 12 -8.775 9.357 2.556 108 3HD2 LEU 12 HD23 LEU 12 -7.202 9.005 3.259 109 H ILE 13 HN ILE 13 -4.233 5.697 0.082 110 HA ILE 13 HA ILE 13 -4.563 3.056 1.137 111 HB ILE 13 HB ILE 13 -2.530 4.228 -0.783 112 1HG1 ILE 13 HG12 ILE 13 -4.872 2.380 -1.314 113 2HG1 ILE 13 HG11 ILE 13 -5.015 4.136 -1.379 114 1HG2 ILE 13 HG21 ILE 13 -2.961 1.398 0.180 115 2HG2 ILE 13 HG22 ILE 13 -1.448 2.291 0.031 116 3HG2 ILE 13 HG23 ILE 13 -2.280 1.722 -1.415 117 1HD1 ILE 13 HD11 ILE 13 -3.242 2.374 -3.089 118 2HD1 ILE 13 HD12 ILE 13 -3.100 4.131 -3.042 119 3HD1 ILE 13 HD13 ILE 13 -4.586 3.382 -3.624 120 H THR 14 HN THR 14 -2.012 5.484 1.447 121 HA THR 14 HA THR 14 -0.143 3.906 2.917 122 HB THR 14 HB THR 14 -0.650 6.892 3.036 123 HG1 THR 14 HG1 THR 14 0.791 7.001 1.397 124 1HG2 THR 14 HG21 THR 14 1.848 6.846 3.651 125 2HG2 THR 14 HG22 THR 14 1.606 5.134 3.999 126 3HG2 THR 14 HG23 THR 14 0.706 6.354 4.902 127 H MET 15 HN MET 15 -2.887 5.909 3.955 128 HA MET 15 HA MET 15 -2.403 5.657 6.774 129 1HB MET 15 HB2 MET 15 -4.931 6.207 5.201 130 2HB MET 15 HB1 MET 15 -4.868 6.226 6.964 131 1HG MET 15 HG2 MET 15 -3.128 7.975 6.886 132 2HG MET 15 HG1 MET 15 -3.191 7.959 5.125 133 1HE MET 15 HE1 MET 15 -3.819 10.749 5.187 134 2HE MET 15 HE2 MET 15 -3.352 10.344 6.836 135 3HE MET 15 HE3 MET 15 -4.812 11.285 6.547 136 H ALA 16 HN ALA 16 -4.293 3.733 4.472 137 HA ALA 16 HA ALA 16 -5.552 2.008 6.345 138 1HB ALA 16 HB1 ALA 16 -4.723 1.723 3.463 139 2HB ALA 16 HB2 ALA 16 -6.347 1.874 4.133 140 3HB ALA 16 HB3 ALA 16 -5.455 0.364 4.320 141 H ILE 17 HN ILE 17 -2.423 1.655 4.650 142 HA ILE 17 HA ILE 17 -1.723 -0.878 5.750 143 HB ILE 17 HB ILE 17 0.108 1.442 5.040 144 1HG1 ILE 17 HG12 ILE 17 -0.757 -0.904 3.326 145 2HG1 ILE 17 HG11 ILE 17 -1.511 0.689 3.254 146 1HG2 ILE 17 HG21 ILE 17 1.499 -0.076 6.145 147 2HG2 ILE 17 HG22 ILE 17 1.599 -0.680 4.494 148 3HG2 ILE 17 HG23 ILE 17 0.543 -1.474 5.655 149 1HD1 ILE 17 HD11 ILE 17 0.766 1.665 2.794 150 2HD1 ILE 17 HD12 ILE 17 0.177 0.598 1.520 151 3HD1 ILE 17 HD13 ILE 17 1.386 0.019 2.664 152 H GLN 18 HN GLN 18 -0.931 2.409 6.813 153 HA GLN 18 HA GLN 18 0.426 1.655 9.222 154 1HB GLN 18 HB2 GLN 18 -0.973 4.207 8.387 155 2HB GLN 18 HB1 GLN 18 -0.056 4.055 9.888 156 1HG GLN 18 HG2 GLN 18 1.947 3.411 8.601 157 2HG GLN 18 HG1 GLN 18 1.033 3.569 7.101 158 1HE2 GLN 18 HE21 GLN 18 -0.334 5.967 8.766 159 2HE2 GLN 18 HE22 GLN 18 0.730 7.247 8.440 160 H ASN 19 HN ASN 19 -2.968 2.473 8.558 161 HA ASN 19 HA ASN 19 -3.710 2.207 11.382 162 1HB ASN 19 HB2 ASN 19 -5.411 2.505 8.890 163 2HB ASN 19 HB1 ASN 19 -6.005 2.610 10.549 164 1HD2 ASN 19 HD21 ASN 19 -3.591 4.005 11.556 165 2HD2 ASN 19 HD22 ASN 19 -3.660 5.586 10.944 166 H ALA 20 HN ALA 20 -2.945 -0.052 9.095 167 HA ALA 20 HA ALA 20 -5.135 -1.922 9.552 168 1HB ALA 20 HB1 ALA 20 -3.803 -2.035 7.481 169 2HB ALA 20 HB2 ALA 20 -3.656 -3.544 8.379 170 3HB ALA 20 HB3 ALA 20 -2.345 -2.364 8.422 171 HA PRO 21 HA PRO 21 -3.653 -3.517 13.440 172 1HB PRO 21 HB2 PRO 21 -4.377 -6.187 13.215 173 2HB PRO 21 HB1 PRO 21 -5.508 -4.887 13.633 174 1HG PRO 21 HG2 PRO 21 -5.032 -6.199 10.996 175 2HG PRO 21 HG1 PRO 21 -6.559 -5.696 11.744 176 1HD PRO 21 HD2 PRO 21 -5.384 -4.227 9.796 177 2HD PRO 21 HD1 PRO 21 -6.282 -3.460 11.125 178 H GLU 22 HN GLU 22 -2.751 -4.891 10.405 179 HA GLU 22 HA GLU 22 -0.071 -5.619 11.486 180 1HB GLU 22 HB2 GLU 22 -1.844 -7.341 9.725 181 2HB GLU 22 HB1 GLU 22 -0.119 -7.629 9.947 182 1HG GLU 22 HG2 GLU 22 -0.467 -7.860 12.379 183 2HG GLU 22 HG1 GLU 22 -2.193 -7.574 12.159 184 H LYS 23 HN LYS 23 1.597 -5.294 9.905 185 HA LYS 23 HA LYS 23 1.073 -3.250 7.978 186 1HB LYS 23 HB2 LYS 23 3.393 -5.208 8.148 187 2HB LYS 23 HB1 LYS 23 3.368 -3.777 7.123 188 1HG LYS 23 HG2 LYS 23 2.893 -3.569 10.097 189 2HG LYS 23 HG1 LYS 23 4.526 -3.596 9.439 190 1HD LYS 23 HD2 LYS 23 3.865 -1.661 7.948 191 2HD LYS 23 HD1 LYS 23 2.350 -1.570 8.845 192 1HE LYS 23 HE2 LYS 23 3.993 0.007 9.768 193 2HE LYS 23 HE1 LYS 23 3.606 -1.250 10.943 194 1HZ LYS 23 HZ1 LYS 23 5.994 -0.839 10.780 195 2HZ LYS 23 HZ2 LYS 23 5.963 -1.267 9.136 196 3HZ LYS 23 HZ3 LYS 23 5.602 -2.426 10.325 197 H LYS 24 HN LYS 24 1.221 -6.773 7.743 198 HA LYS 24 HA LYS 24 0.795 -6.710 4.831 199 1HB LYS 24 HB2 LYS 24 0.786 -8.988 6.839 200 2HB LYS 24 HB1 LYS 24 0.616 -9.193 5.095 201 1HG LYS 24 HG2 LYS 24 2.807 -8.115 4.750 202 2HG LYS 24 HG1 LYS 24 2.982 -7.912 6.493 203 1HD LYS 24 HD2 LYS 24 2.879 -10.356 6.796 204 2HD LYS 24 HD1 LYS 24 2.706 -10.567 5.052 205 1HE LYS 24 HE2 LYS 24 4.900 -9.291 4.811 206 2HE LYS 24 HE1 LYS 24 5.089 -9.462 6.556 207 1HZ LYS 24 HZ1 LYS 24 5.750 -11.547 6.300 208 2HZ LYS 24 HZ2 LYS 24 5.758 -11.307 4.617 209 3HZ LYS 24 HZ3 LYS 24 4.379 -11.940 5.381 210 H ILE 25 HN ILE 25 -1.206 -6.345 4.030 211 HA ILE 25 HA ILE 25 -3.578 -7.439 5.479 212 HB ILE 25 HB ILE 25 -3.406 -5.056 6.085 213 1HG1 ILE 25 HG12 ILE 25 -5.562 -5.422 3.988 214 2HG1 ILE 25 HG11 ILE 25 -5.639 -6.164 5.586 215 1HG2 ILE 25 HG21 ILE 25 -3.349 -3.320 4.441 216 2HG2 ILE 25 HG22 ILE 25 -3.655 -4.458 3.129 217 3HG2 ILE 25 HG23 ILE 25 -2.104 -4.475 3.967 218 1HD1 ILE 25 HD11 ILE 25 -6.846 -3.945 5.392 219 2HD1 ILE 25 HD12 ILE 25 -5.270 -3.189 5.153 220 3HD1 ILE 25 HD13 ILE 25 -5.632 -4.015 6.669 221 H THR 26 HN THR 26 -5.367 -7.872 4.070 222 HA THR 26 HA THR 26 -4.529 -8.534 1.347 223 HB THR 26 HB THR 26 -6.751 -9.543 1.147 224 HG1 THR 26 HG1 THR 26 -8.091 -8.187 2.165 225 1HG2 THR 26 HG21 THR 26 -6.490 -11.234 2.768 226 2HG2 THR 26 HG22 THR 26 -5.854 -10.108 3.969 227 3HG2 THR 26 HG23 THR 26 -4.858 -10.583 2.593 228 H LEU 27 HN LEU 27 -5.572 -7.721 -0.559 229 HA LEU 27 HA LEU 27 -5.923 -4.907 -0.611 230 1HB LEU 27 HB2 LEU 27 -5.282 -6.259 -2.567 231 2HB LEU 27 HB1 LEU 27 -6.866 -7.024 -2.572 232 HG LEU 27 HG LEU 27 -7.950 -4.937 -3.133 233 1HD1 LEU 27 HD11 LEU 27 -6.813 -3.251 -1.953 234 2HD1 LEU 27 HD12 LEU 27 -6.364 -2.927 -3.623 235 3HD1 LEU 27 HD13 LEU 27 -5.235 -3.761 -2.554 236 1HD2 LEU 27 HD21 LEU 27 -7.157 -6.050 -5.072 237 2HD2 LEU 27 HD22 LEU 27 -5.484 -5.589 -4.757 238 3HD2 LEU 27 HD23 LEU 27 -6.647 -4.377 -5.279 239 H ASN 28 HN ASN 28 -8.253 -7.560 -0.451 240 HA ASN 28 HA ASN 28 -10.657 -6.052 -0.673 241 1HB ASN 28 HB2 ASN 28 -10.010 -8.605 0.811 242 2HB ASN 28 HB1 ASN 28 -11.647 -7.970 0.652 243 1HD2 ASN 28 HD21 ASN 28 -10.671 -6.930 -2.174 244 2HD2 ASN 28 HD22 ASN 28 -10.834 -8.310 -3.145 245 H GLY 29 HN GLY 29 -8.639 -6.827 2.138 246 1HA GLY 29 HA2 GLY 29 -10.371 -5.758 4.134 247 2HA GLY 29 HA1 GLY 29 -8.629 -5.954 4.309 248 H ILE 30 HN ILE 30 -7.845 -4.209 2.165 249 HA ILE 30 HA ILE 30 -7.781 -1.726 3.541 250 HB ILE 30 HB ILE 30 -7.309 -2.388 0.622 251 1HG1 ILE 30 HG12 ILE 30 -5.363 -1.764 2.864 252 2HG1 ILE 30 HG11 ILE 30 -5.819 -3.400 2.394 253 1HG2 ILE 30 HG21 ILE 30 -6.054 -0.178 0.640 254 2HG2 ILE 30 HG22 ILE 30 -6.858 0.180 2.168 255 3HG2 ILE 30 HG23 ILE 30 -7.810 -0.035 0.697 256 1HD1 ILE 30 HD11 ILE 30 -5.069 -2.834 0.044 257 2HD1 ILE 30 HD12 ILE 30 -3.772 -2.877 1.240 258 3HD1 ILE 30 HD13 ILE 30 -4.414 -1.330 0.691 259 H TYR 31 HN TYR 31 -9.926 -2.846 0.920 260 HA TYR 31 HA TYR 31 -11.229 -0.360 0.458 261 1HB TYR 31 HB2 TYR 31 -12.081 -3.238 0.156 262 2HB TYR 31 HB1 TYR 31 -13.213 -1.934 -0.182 263 HD1 TYR 31 HD1 TYR 31 -10.830 -4.029 -1.653 264 HD2 TYR 31 HD2 TYR 31 -12.114 0.060 -1.643 265 HE1 TYR 31 HE1 TYR 31 -9.802 -3.707 -3.878 266 HE2 TYR 31 HE2 TYR 31 -11.084 0.386 -3.869 267 HH TYR 31 HH TYR 31 -10.335 -0.813 -5.729 268 H GLN 32 HN GLN 32 -11.953 -2.938 2.797 269 HA GLN 32 HA GLN 32 -14.383 -1.861 3.796 270 1HB GLN 32 HB2 GLN 32 -12.224 -3.482 5.165 271 2HB GLN 32 HB1 GLN 32 -13.819 -3.181 5.855 272 1HG GLN 32 HG2 GLN 32 -14.891 -4.304 3.980 273 2HG GLN 32 HG1 GLN 32 -13.336 -4.500 3.170 274 1HE2 GLN 32 HE21 GLN 32 -14.183 -6.906 3.372 275 2HE2 GLN 32 HE22 GLN 32 -13.702 -7.741 4.770 276 H PHE 33 HN PHE 33 -11.025 -1.240 4.733 277 HA PHE 33 HA PHE 33 -11.530 0.370 7.012 278 1HB PHE 33 HB2 PHE 33 -9.315 -0.562 6.384 279 2HB PHE 33 HB1 PHE 33 -9.229 0.596 5.057 280 HD1 PHE 33 HD1 PHE 33 -8.742 2.923 5.448 281 HD2 PHE 33 HD2 PHE 33 -9.324 0.225 8.739 282 HE1 PHE 33 HE1 PHE 33 -7.868 4.639 7.010 283 HE2 PHE 33 HE2 PHE 33 -8.449 1.940 10.302 284 HZ PHE 33 HZ PHE 33 -7.720 4.147 9.437 285 H ILE 34 HN ILE 34 -10.977 1.410 3.629 286 HA ILE 34 HA ILE 34 -11.196 4.191 4.113 287 HB ILE 34 HB ILE 34 -11.787 2.541 1.648 288 1HG1 ILE 34 HG12 ILE 34 -9.473 4.381 2.317 289 2HG1 ILE 34 HG11 ILE 34 -9.448 2.645 2.623 290 1HG2 ILE 34 HG21 ILE 34 -11.793 5.535 2.072 291 2HG2 ILE 34 HG22 ILE 34 -13.014 4.546 1.274 292 3HG2 ILE 34 HG23 ILE 34 -11.460 4.828 0.491 293 1HD1 ILE 34 HD11 ILE 34 -9.962 3.879 -0.097 294 2HD1 ILE 34 HD12 ILE 34 -9.738 2.167 0.261 295 3HD1 ILE 34 HD13 ILE 34 -8.390 3.290 0.440 296 H MET 35 HN MET 35 -13.804 1.948 3.045 297 HA MET 35 HA MET 35 -15.819 3.941 2.924 298 1HB MET 35 HB2 MET 35 -15.991 0.972 3.458 299 2HB MET 35 HB1 MET 35 -17.418 1.996 3.286 300 1HG MET 35 HG2 MET 35 -16.629 2.710 1.053 301 2HG MET 35 HG1 MET 35 -15.220 1.666 1.221 302 1HE MET 35 HE1 MET 35 -15.064 -0.538 0.421 303 2HE MET 35 HE2 MET 35 -16.286 -1.793 0.605 304 3HE MET 35 HE3 MET 35 -15.643 -0.984 2.032 305 H ASP 36 HN ASP 36 -14.775 1.961 5.713 306 HA ASP 36 HA ASP 36 -16.883 2.889 7.434 307 1HB ASP 36 HB2 ASP 36 -14.154 1.727 8.023 308 2HB ASP 36 HB1 ASP 36 -15.336 2.105 9.278 309 H ARG 37 HN ARG 37 -13.492 4.006 7.052 310 HA ARG 37 HA ARG 37 -13.781 6.064 9.053 311 1HB ARG 37 HB2 ARG 37 -11.814 5.707 6.778 312 2HB ARG 37 HB1 ARG 37 -11.690 7.007 7.959 313 1HG ARG 37 HG2 ARG 37 -11.986 4.215 9.017 314 2HG ARG 37 HG1 ARG 37 -10.438 4.645 8.300 315 1HD ARG 37 HD2 ARG 37 -10.856 5.059 10.870 316 2HD ARG 37 HD1 ARG 37 -9.975 6.254 9.919 317 HE ARG 37 HE ARG 37 -12.567 7.132 9.719 318 1HH1 ARG 37 HH21 ARG 37 -10.492 6.153 12.287 319 2HH1 ARG 37 HH22 ARG 37 -11.204 7.219 13.452 320 1HH2 ARG 37 HH11 ARG 37 -13.523 8.525 11.228 321 2HH2 ARG 37 HH12 ARG 37 -12.922 8.562 12.852 322 H PHE 38 HN PHE 38 -14.115 6.022 5.531 323 HA PHE 38 HA PHE 38 -15.297 8.774 5.658 324 1HB PHE 38 HB2 PHE 38 -13.863 7.500 3.314 325 2HB PHE 38 HB1 PHE 38 -14.421 9.171 3.440 326 HD1 PHE 38 HD1 PHE 38 -11.761 6.842 4.202 327 HD2 PHE 38 HD2 PHE 38 -13.429 10.660 5.253 328 HE1 PHE 38 HE1 PHE 38 -9.632 7.468 5.309 329 HE2 PHE 38 HE2 PHE 38 -11.298 11.285 6.359 330 HZ PHE 38 HZ PHE 38 -9.402 9.688 6.388 331 HA PRO 39 HA PRO 39 -18.669 6.088 4.154 332 1HB PRO 39 HB2 PRO 39 -20.765 7.679 4.784 333 2HB PRO 39 HB1 PRO 39 -19.862 6.781 6.022 334 1HG PRO 39 HG2 PRO 39 -19.678 9.661 5.266 335 2HG PRO 39 HG1 PRO 39 -19.637 8.915 6.873 336 1HD PRO 39 HD2 PRO 39 -17.380 9.727 5.474 337 2HD PRO 39 HD1 PRO 39 -17.368 8.492 6.752 338 H PHE 40 HN PHE 40 -17.722 9.178 3.002 339 HA PHE 40 HA PHE 40 -19.738 9.745 1.086 340 1HB PHE 40 HB2 PHE 40 -16.872 10.220 0.331 341 2HB PHE 40 HB1 PHE 40 -18.253 11.310 0.232 342 HD1 PHE 40 HD1 PHE 40 -15.245 11.198 1.707 343 HD2 PHE 40 HD2 PHE 40 -19.376 11.329 2.885 344 HE1 PHE 40 HE1 PHE 40 -14.600 12.241 3.865 345 HE2 PHE 40 HE2 PHE 40 -18.727 12.364 5.041 346 HZ PHE 40 HZ PHE 40 -16.341 12.824 5.530 347 H TYR 41 HN TYR 41 -16.990 7.556 0.992 348 HA TYR 41 HA TYR 41 -17.123 6.894 -1.791 349 1HB TYR 41 HB2 TYR 41 -16.016 5.415 0.605 350 2HB TYR 41 HB1 TYR 41 -15.771 4.901 -1.068 351 HD1 TYR 41 HD1 TYR 41 -15.124 7.578 1.392 352 HD2 TYR 41 HD2 TYR 41 -14.310 6.114 -2.550 353 HE1 TYR 41 HE1 TYR 41 -13.281 9.221 1.172 354 HE2 TYR 41 HE2 TYR 41 -12.463 7.738 -2.794 355 HH TYR 41 HH TYR 41 -11.514 9.840 -0.076 356 H ARG 42 HN ARG 42 -18.862 5.683 1.027 357 HA ARG 42 HA ARG 42 -19.775 3.229 -0.078 358 1HB ARG 42 HB2 ARG 42 -21.074 5.126 1.892 359 2HB ARG 42 HB1 ARG 42 -21.735 3.540 1.499 360 1HG ARG 42 HG2 ARG 42 -19.620 2.482 2.220 361 2HG ARG 42 HG1 ARG 42 -18.971 4.071 2.631 362 1HD ARG 42 HD2 ARG 42 -19.851 2.995 4.649 363 2HD ARG 42 HD1 ARG 42 -20.846 4.393 4.236 364 HE ARG 42 HE ARG 42 -22.084 2.259 2.952 365 1HH1 ARG 42 HH21 ARG 42 -21.075 3.043 6.152 366 2HH1 ARG 42 HH22 ARG 42 -22.315 2.107 6.916 367 1HH2 ARG 42 HH11 ARG 42 -23.710 1.035 3.924 368 2HH2 ARG 42 HH12 ARG 42 -23.812 0.970 5.651 369 H GLU 43 HN GLU 43 -21.079 6.535 -0.364 370 HA GLU 43 HA GLU 43 -23.421 5.755 -1.831 371 1HB GLU 43 HB2 GLU 43 -21.910 8.378 -1.737 372 2HB GLU 43 HB1 GLU 43 -23.443 8.166 -2.578 373 1HG GLU 43 HG2 GLU 43 -24.040 9.007 -0.438 374 2HG GLU 43 HG1 GLU 43 -24.366 7.277 -0.349 375 H ASN 44 HN ASN 44 -20.197 6.693 -2.764 376 HA ASN 44 HA ASN 44 -20.807 6.065 -5.629 377 1HB ASN 44 HB2 ASN 44 -18.517 7.577 -4.335 378 2HB ASN 44 HB1 ASN 44 -18.633 7.236 -6.061 379 1HD2 ASN 44 HD21 ASN 44 -18.643 9.924 -4.906 380 2HD2 ASN 44 HD22 ASN 44 -20.147 10.620 -5.274 381 H LYS 45 HN LYS 45 -20.433 3.876 -5.913 382 HA LYS 45 HA LYS 45 -18.073 2.632 -4.585 383 1HB LYS 45 HB2 LYS 45 -20.410 1.458 -6.120 384 2HB LYS 45 HB1 LYS 45 -19.087 0.507 -5.447 385 1HG LYS 45 HG2 LYS 45 -19.623 1.343 -3.192 386 2HG LYS 45 HG1 LYS 45 -20.950 2.296 -3.858 387 1HD LYS 45 HD2 LYS 45 -22.024 0.223 -4.674 388 2HD LYS 45 HD1 LYS 45 -20.702 -0.723 -3.991 389 1HE LYS 45 HE2 LYS 45 -22.289 1.168 -2.259 390 2HE LYS 45 HE1 LYS 45 -22.873 -0.462 -2.585 391 1HZ LYS 45 HZ1 LYS 45 -21.601 -0.991 -0.839 392 2HZ LYS 45 HZ2 LYS 45 -20.652 0.414 -0.956 393 3HZ LYS 45 HZ3 LYS 45 -20.318 -0.927 -1.945 394 H GLN 46 HN GLN 46 -19.488 3.107 -7.819 395 HA GLN 46 HA GLN 46 -17.224 1.844 -9.150 396 1HB GLN 46 HB2 GLN 46 -19.529 3.531 -10.162 397 2HB GLN 46 HB1 GLN 46 -18.320 2.798 -11.216 398 1HG GLN 46 HG2 GLN 46 -19.907 1.176 -9.220 399 2HG GLN 46 HG1 GLN 46 -20.478 1.459 -10.865 400 1HE2 GLN 46 HE21 GLN 46 -18.399 1.100 -12.512 401 2HE2 GLN 46 HE22 GLN 46 -17.629 -0.394 -12.280 402 H GLY 47 HN GLY 47 -15.459 2.857 -10.078 403 1HA GLY 47 HA2 GLY 47 -14.416 4.868 -11.051 404 2HA GLY 47 HA1 GLY 47 -15.280 5.842 -9.868 405 H TRP 48 HN TRP 48 -14.751 4.890 -7.470 406 HA TRP 48 HA TRP 48 -11.821 5.195 -7.246 407 1HB TRP 48 HB2 TRP 48 -12.190 5.725 -4.986 408 2HB TRP 48 HB1 TRP 48 -13.576 6.418 -5.818 409 HD1 TRP 48 HD1 TRP 48 -15.932 5.097 -5.586 410 HE1 TRP 48 HE1 TRP 48 -16.794 3.541 -3.724 411 HE3 TRP 48 HE3 TRP 48 -11.522 3.946 -3.293 412 HZ2 TRP 48 HZ2 TRP 48 -15.750 2.005 -1.546 413 HZ3 TRP 48 HZ3 TRP 48 -11.482 2.437 -1.330 414 HH2 TRP 48 HH2 TRP 48 -13.588 1.465 -0.454 415 H GLN 49 HN GLN 49 -14.095 2.624 -7.255 416 HA GLN 49 HA GLN 49 -12.746 0.863 -5.420 417 1HB GLN 49 HB2 GLN 49 -15.124 0.629 -6.241 418 2HB GLN 49 HB1 GLN 49 -14.473 0.067 -7.776 419 1HG GLN 49 HG2 GLN 49 -14.881 -1.933 -6.612 420 2HG GLN 49 HG1 GLN 49 -13.164 -1.662 -6.328 421 1HE2 GLN 49 HE21 GLN 49 -16.194 -2.121 -4.767 422 2HE2 GLN 49 HE22 GLN 49 -15.696 -1.731 -3.192 423 H ASN 50 HN ASN 50 -12.837 0.713 -9.016 424 HA ASN 50 HA ASN 50 -10.654 -1.184 -9.083 425 1HB ASN 50 HB2 ASN 50 -11.801 0.552 -11.290 426 2HB ASN 50 HB1 ASN 50 -10.695 -0.801 -11.529 427 1HD2 ASN 50 HD21 ASN 50 -13.747 -0.301 -12.147 428 2HD2 ASN 50 HD22 ASN 50 -14.476 -1.732 -11.596 429 H SER 51 HN SER 51 -10.809 2.329 -9.203 430 HA SER 51 HA SER 51 -8.261 2.837 -10.355 431 1HB SER 51 HB2 SER 51 -9.848 4.394 -8.298 432 2HB SER 51 HB1 SER 51 -8.366 4.996 -9.036 433 HG SER 51 HG SER 51 -9.541 5.540 -10.679 434 H ILE 52 HN ILE 52 -9.182 2.126 -7.006 435 HA ILE 52 HA ILE 52 -6.679 2.666 -5.781 436 HB ILE 52 HB ILE 52 -8.846 0.657 -5.129 437 1HG1 ILE 52 HG12 ILE 52 -9.178 3.266 -5.060 438 2HG1 ILE 52 HG11 ILE 52 -9.761 2.283 -3.727 439 1HG2 ILE 52 HG21 ILE 52 -6.953 -0.227 -4.034 440 2HG2 ILE 52 HG22 ILE 52 -7.752 0.744 -2.798 441 3HG2 ILE 52 HG23 ILE 52 -6.330 1.373 -3.630 442 1HD1 ILE 52 HD11 ILE 52 -6.982 3.424 -3.626 443 2HD1 ILE 52 HD12 ILE 52 -8.041 2.950 -2.301 444 3HD1 ILE 52 HD13 ILE 52 -8.370 4.426 -3.206 445 H ARG 53 HN ARG 53 -7.899 -0.376 -7.240 446 HA ARG 53 HA ARG 53 -5.532 -1.895 -6.603 447 1HB ARG 53 HB2 ARG 53 -7.320 -2.473 -8.973 448 2HB ARG 53 HB1 ARG 53 -6.490 -3.612 -7.912 449 1HG ARG 53 HG2 ARG 53 -7.970 -2.633 -6.030 450 2HG ARG 53 HG1 ARG 53 -8.935 -1.949 -7.339 451 1HD ARG 53 HD2 ARG 53 -8.504 -4.834 -6.614 452 2HD ARG 53 HD1 ARG 53 -10.006 -3.989 -7.004 453 HE ARG 53 HE ARG 53 -8.629 -3.861 -9.371 454 1HH1 ARG 53 HH21 ARG 53 -9.380 -6.364 -7.122 455 2HH1 ARG 53 HH22 ARG 53 -9.487 -7.599 -8.331 456 1HH2 ARG 53 HH11 ARG 53 -8.773 -5.462 -10.962 457 2HH2 ARG 53 HH12 ARG 53 -9.147 -7.088 -10.503 458 H HIS 54 HN HIS 54 -6.549 -0.185 -9.591 459 HA HIS 54 HA HIS 54 -4.313 -0.970 -11.165 460 1HB HIS 54 HB2 HIS 54 -6.052 1.505 -11.239 461 2HB HIS 54 HB1 HIS 54 -4.787 1.197 -12.429 462 HD1 HIS 54 HD1 HIS 54 -8.265 0.791 -12.127 463 HD2 HIS 54 HD2 HIS 54 -5.224 -1.757 -13.406 464 HE1 HIS 54 HE1 HIS 54 -9.375 -1.001 -13.531 465 H ASN 55 HN ASN 55 -4.746 1.786 -8.953 466 HA ASN 55 HA ASN 55 -2.211 3.005 -9.474 467 1HB ASN 55 HB2 ASN 55 -4.004 4.141 -8.207 468 2HB ASN 55 HB1 ASN 55 -3.815 2.975 -6.896 469 1HD2 ASN 55 HD21 ASN 55 -1.754 5.241 -8.822 470 2HD2 ASN 55 HD22 ASN 55 -0.790 5.706 -7.505 471 H LEU 56 HN LEU 56 -3.227 0.502 -7.161 472 HA LEU 56 HA LEU 56 -0.739 0.225 -5.826 473 1HB LEU 56 HB2 LEU 56 -3.036 -1.656 -6.307 474 2HB LEU 56 HB1 LEU 56 -1.597 -2.200 -5.451 475 HG LEU 56 HG LEU 56 -3.149 0.283 -4.668 476 1HD1 LEU 56 HD11 LEU 56 -4.717 -1.460 -4.372 477 2HD1 LEU 56 HD12 LEU 56 -3.983 -1.263 -2.781 478 3HD1 LEU 56 HD13 LEU 56 -3.484 -2.596 -3.822 479 1HD2 LEU 56 HD21 LEU 56 -0.840 -1.262 -3.508 480 2HD2 LEU 56 HD22 LEU 56 -1.971 -0.498 -2.396 481 3HD2 LEU 56 HD23 LEU 56 -1.105 0.479 -3.573 482 H SER 57 HN SER 57 -1.992 -1.488 -8.699 483 HA SER 57 HA SER 57 0.417 -3.043 -9.045 484 1HB SER 57 HB2 SER 57 -1.800 -3.666 -10.026 485 2HB SER 57 HB1 SER 57 -1.657 -2.302 -11.131 486 HG SER 57 HG SER 57 -0.887 -4.470 -11.851 487 H LEU 58 HN LEU 58 -0.760 0.001 -10.476 488 HA LEU 58 HA LEU 58 1.435 0.319 -12.292 489 1HB LEU 58 HB2 LEU 58 -0.448 2.323 -11.040 490 2HB LEU 58 HB1 LEU 58 0.750 2.756 -12.257 491 HG LEU 58 HG LEU 58 -1.344 0.602 -12.648 492 1HD1 LEU 58 HD11 LEU 58 -2.541 2.665 -12.409 493 2HD1 LEU 58 HD12 LEU 58 -2.426 2.357 -14.141 494 3HD1 LEU 58 HD13 LEU 58 -1.359 3.539 -13.382 495 1HD2 LEU 58 HD21 LEU 58 -0.704 1.336 -15.137 496 2HD2 LEU 58 HD22 LEU 58 0.255 0.146 -14.268 497 3HD2 LEU 58 HD23 LEU 58 0.803 1.818 -14.364 498 H ASN 59 HN ASN 59 0.927 1.418 -8.946 499 HA ASN 59 HA ASN 59 3.430 2.896 -8.875 500 1HB ASN 59 HB2 ASN 59 1.609 1.883 -6.669 501 2HB ASN 59 HB1 ASN 59 3.027 2.894 -6.388 502 1HD2 ASN 59 HD21 ASN 59 0.496 3.885 -5.653 503 2HD2 ASN 59 HD22 ASN 59 0.053 5.143 -6.704 504 H GLU 60 HN GLU 60 5.400 1.928 -8.815 505 HA GLU 60 HA GLU 60 5.599 -0.917 -8.022 506 1HB GLU 60 HB2 GLU 60 7.684 1.012 -9.096 507 2HB GLU 60 HB1 GLU 60 7.926 -0.716 -8.837 508 1HG GLU 60 HG2 GLU 60 6.112 -1.214 -10.437 509 2HG GLU 60 HG1 GLU 60 5.871 0.514 -10.701 510 H CYS 61 HN CYS 61 5.640 2.014 -6.488 511 HA CYS 61 HA CYS 61 7.880 1.819 -4.724 512 1HB CYS 61 HB2 CYS 61 5.155 3.105 -4.396 513 2HB CYS 61 HB1 CYS 61 6.453 3.278 -3.215 514 HG CYS 61 HG CYS 61 6.641 4.333 -6.156 515 H PHE 62 HN PHE 62 4.573 0.534 -4.524 516 HA PHE 62 HA PHE 62 5.034 -0.640 -1.881 517 1HB PHE 62 HB2 PHE 62 2.799 -1.127 -3.875 518 2HB PHE 62 HB1 PHE 62 2.802 -1.615 -2.179 519 HD1 PHE 62 HD1 PHE 62 3.042 0.212 -0.391 520 HD2 PHE 62 HD2 PHE 62 2.109 1.048 -4.500 521 HE1 PHE 62 HE1 PHE 62 2.183 2.447 0.258 522 HE2 PHE 62 HE2 PHE 62 1.251 3.282 -3.851 523 HZ PHE 62 HZ PHE 62 1.288 3.981 -1.472 524 H VAL 63 HN VAL 63 5.157 -2.926 -1.475 525 HA VAL 63 HA VAL 63 5.964 -4.609 -3.829 526 HB VAL 63 HB VAL 63 7.204 -4.526 -1.060 527 1HG1 VAL 63 HG11 VAL 63 7.207 -6.806 -1.824 528 2HG1 VAL 63 HG12 VAL 63 8.821 -6.166 -2.130 529 3HG1 VAL 63 HG13 VAL 63 7.668 -6.321 -3.456 530 1HG2 VAL 63 HG21 VAL 63 7.895 -2.667 -2.526 531 2HG2 VAL 63 HG22 VAL 63 8.299 -3.818 -3.801 532 3HG2 VAL 63 HG23 VAL 63 9.222 -3.806 -2.299 533 H LYS 64 HN LYS 64 4.787 -6.459 -3.967 534 HA LYS 64 HA LYS 64 2.915 -7.136 -1.801 535 1HB LYS 64 HB2 LYS 64 3.387 -8.170 -4.594 536 2HB LYS 64 HB1 LYS 64 2.386 -9.081 -3.467 537 1HG LYS 64 HG2 LYS 64 0.983 -7.054 -3.122 538 2HG LYS 64 HG1 LYS 64 1.945 -6.208 -4.334 539 1HD LYS 64 HD2 LYS 64 0.697 -8.859 -5.046 540 2HD LYS 64 HD1 LYS 64 -0.311 -7.419 -5.030 541 1HE LYS 64 HE2 LYS 64 1.164 -6.313 -6.624 542 2HE LYS 64 HE1 LYS 64 2.275 -7.682 -6.588 543 1HZ LYS 64 HZ1 LYS 64 0.562 -7.557 -8.465 544 2HZ LYS 64 HZ2 LYS 64 -0.563 -8.054 -7.294 545 3HZ LYS 64 HZ3 LYS 64 0.768 -9.041 -7.671 546 H VAL 65 HN VAL 65 2.924 -9.123 -0.678 547 HA VAL 65 HA VAL 65 5.421 -10.757 -0.857 548 HB VAL 65 HB VAL 65 4.661 -10.822 1.862 549 1HG1 VAL 65 HG11 VAL 65 6.752 -9.503 2.201 550 2HG1 VAL 65 HG12 VAL 65 6.818 -9.223 0.461 551 3HG1 VAL 65 HG13 VAL 65 6.960 -10.862 1.096 552 1HG2 VAL 65 HG21 VAL 65 4.530 -8.499 2.553 553 2HG2 VAL 65 HG22 VAL 65 3.240 -8.805 1.391 554 3HG2 VAL 65 HG23 VAL 65 4.696 -7.951 0.885 555 HA PRO 66 HA PRO 66 1.545 -13.280 -1.558 556 1HB PRO 66 HB2 PRO 66 3.848 -15.036 -2.378 557 2HB PRO 66 HB1 PRO 66 2.247 -14.865 -3.127 558 1HG PRO 66 HG2 PRO 66 4.356 -13.668 -4.188 559 2HG PRO 66 HG1 PRO 66 2.787 -12.845 -4.126 560 1HD PRO 66 HD2 PRO 66 5.236 -12.345 -2.493 561 2HD PRO 66 HD1 PRO 66 3.964 -11.205 -2.987 562 H ARG 67 HN ARG 67 0.909 -15.338 -0.529 563 HA ARG 67 HA ARG 67 2.074 -15.610 2.129 564 1HB ARG 67 HB2 ARG 67 0.019 -17.359 0.738 565 2HB ARG 67 HB1 ARG 67 0.395 -17.368 2.460 566 1HG ARG 67 HG2 ARG 67 -0.176 -14.800 2.310 567 2HG ARG 67 HG1 ARG 67 -1.024 -15.264 0.845 568 1HD ARG 67 HD2 ARG 67 -2.582 -15.330 2.715 569 2HD ARG 67 HD1 ARG 67 -2.281 -16.978 2.159 570 HE ARG 67 HE ARG 67 -0.404 -16.630 4.150 571 1HH1 ARG 67 HH21 ARG 67 -3.815 -16.197 3.855 572 2HH1 ARG 67 HH22 ARG 67 -4.135 -16.560 5.518 573 1HH2 ARG 67 HH11 ARG 67 -0.806 -17.108 6.317 574 2HH2 ARG 67 HH12 ARG 67 -2.434 -17.080 6.911 575 H ASP 68 HN ASP 68 2.945 -17.690 2.933 576 HA ASP 68 HA ASP 68 4.944 -18.769 1.167 577 1HB ASP 68 HB2 ASP 68 3.880 -19.714 3.846 578 2HB ASP 68 HB1 ASP 68 5.250 -20.462 3.023 579 H ASP 69 HN ASP 69 5.032 -20.989 0.351 580 HA ASP 69 HA ASP 69 2.619 -21.849 -0.906 581 1HB ASP 69 HB2 ASP 69 5.231 -23.287 -0.370 582 2HB ASP 69 HB1 ASP 69 3.934 -23.975 -1.348 583 H LYS 70 HN LYS 70 3.850 -22.363 2.261 584 HA LYS 70 HA LYS 70 2.444 -24.845 2.804 585 1HB LYS 70 HB2 LYS 70 3.659 -22.734 4.607 586 2HB LYS 70 HB1 LYS 70 2.958 -24.242 5.200 587 1HG LYS 70 HG2 LYS 70 4.557 -25.559 3.971 588 2HG LYS 70 HG1 LYS 70 5.149 -24.138 3.112 589 1HD LYS 70 HD2 LYS 70 6.731 -24.642 4.865 590 2HD LYS 70 HD1 LYS 70 5.860 -23.182 5.329 591 1HE LYS 70 HE2 LYS 70 4.546 -24.329 6.924 592 2HE LYS 70 HE1 LYS 70 4.930 -25.907 6.236 593 1HZ LYS 70 HZ1 LYS 70 7.353 -25.150 6.830 594 2HZ LYS 70 HZ2 LYS 70 6.350 -25.879 7.991 595 3HZ LYS 70 HZ3 LYS 70 6.544 -24.192 7.971 596 H LYS 71 HN LYS 71 1.425 -21.662 2.366 597 HA LYS 71 HA LYS 71 -1.165 -22.221 3.776 598 1HB LYS 71 HB2 LYS 71 0.283 -19.563 3.579 599 2HB LYS 71 HB1 LYS 71 -1.312 -19.806 4.286 600 1HG LYS 71 HG2 LYS 71 1.231 -21.141 5.261 601 2HG LYS 71 HG1 LYS 71 0.496 -19.720 5.998 602 1HD LYS 71 HD2 LYS 71 -1.663 -21.255 6.090 603 2HD LYS 71 HD1 LYS 71 -0.489 -22.563 5.963 604 1HE LYS 71 HE2 LYS 71 -0.657 -20.442 8.110 605 2HE LYS 71 HE1 LYS 71 -0.818 -22.187 8.301 606 1HZ LYS 71 HZ1 LYS 71 1.601 -21.860 7.084 607 2HZ LYS 71 HZ2 LYS 71 1.347 -22.183 8.733 608 3HZ LYS 71 HZ3 LYS 71 1.546 -20.583 8.198 609 HA PRO 72 HA PRO 72 -1.780 -21.560 -0.810 610 1HB PRO 72 HB2 PRO 72 -4.168 -23.205 -0.062 611 2HB PRO 72 HB1 PRO 72 -3.075 -23.373 -1.449 612 1HG PRO 72 HG2 PRO 72 -2.944 -25.049 0.612 613 2HG PRO 72 HG1 PRO 72 -1.477 -24.502 -0.221 614 1HD PRO 72 HD2 PRO 72 -2.564 -23.641 2.439 615 2HD PRO 72 HD1 PRO 72 -0.874 -23.839 1.924 616 H GLY 73 HN GLY 73 -4.747 -21.644 -1.241 617 1HA GLY 73 HA2 GLY 73 -6.553 -20.151 -1.212 618 2HA GLY 73 HA1 GLY 73 -6.075 -19.759 0.439 619 H LYS 74 HN LYS 74 -5.771 -17.612 0.640 620 HA LYS 74 HA LYS 74 -5.373 -15.809 -1.527 621 1HB LYS 74 HB2 LYS 74 -4.742 -15.479 1.421 622 2HB LYS 74 HB1 LYS 74 -4.769 -14.160 0.255 623 1HG LYS 74 HG2 LYS 74 -7.160 -15.970 0.626 624 2HG LYS 74 HG1 LYS 74 -6.905 -14.575 1.669 625 1HD LYS 74 HD2 LYS 74 -6.743 -13.157 -0.431 626 2HD LYS 74 HD1 LYS 74 -7.277 -14.572 -1.338 627 1HE LYS 74 HE2 LYS 74 -9.174 -13.093 -0.765 628 2HE LYS 74 HE1 LYS 74 -9.334 -14.678 -0.007 629 1HZ LYS 74 HZ1 LYS 74 -7.875 -12.759 1.572 630 2HZ LYS 74 HZ2 LYS 74 -9.130 -13.811 2.024 631 3HZ LYS 74 HZ3 LYS 74 -9.490 -12.322 1.291 632 H GLY 75 HN GLY 75 -3.534 -14.940 -2.438 633 1HA GLY 75 HA2 GLY 75 -0.876 -15.840 -1.385 634 2HA GLY 75 HA1 GLY 75 -1.266 -15.992 -3.094 635 H SER 76 HN SER 76 -2.102 -13.268 -0.931 636 HA SER 76 HA SER 76 -0.040 -11.587 -2.207 637 1HB SER 76 HB2 SER 76 -2.999 -11.140 -2.661 638 2HB SER 76 HB1 SER 76 -1.763 -9.931 -2.993 639 HG SER 76 HG SER 76 -1.726 -12.563 -4.052 640 H TYR 77 HN TYR 77 0.669 -10.125 -0.769 641 HA TYR 77 HA TYR 77 -1.174 -9.094 1.340 642 1HB TYR 77 HB2 TYR 77 1.532 -10.355 1.686 643 2HB TYR 77 HB1 TYR 77 1.110 -9.016 2.738 644 HD1 TYR 77 HD1 TYR 77 1.347 -12.377 2.814 645 HD2 TYR 77 HD2 TYR 77 -1.661 -9.364 3.480 646 HE1 TYR 77 HE1 TYR 77 0.143 -13.902 4.350 647 HE2 TYR 77 HE2 TYR 77 -2.865 -10.909 4.980 648 HH TYR 77 HH TYR 77 -2.834 -12.870 6.009 649 H TRP 78 HN TRP 78 -0.457 -6.927 2.111 650 HA TRP 78 HA TRP 78 1.316 -5.533 0.123 651 1HB TRP 78 HB2 TRP 78 -1.281 -4.633 1.388 652 2HB TRP 78 HB1 TRP 78 -0.162 -3.515 0.603 653 HD1 TRP 78 HD1 TRP 78 -2.823 -6.053 -0.134 654 HE1 TRP 78 HE1 TRP 78 -3.100 -6.306 -2.687 655 HE3 TRP 78 HE3 TRP 78 1.264 -3.438 -1.732 656 HZ2 TRP 78 HZ2 TRP 78 -1.754 -5.515 -5.088 657 HZ3 TRP 78 HZ3 TRP 78 1.740 -3.205 -4.154 658 HH2 TRP 78 HH2 TRP 78 0.237 -4.236 -5.829 659 H THR 79 HN THR 79 2.916 -4.308 0.955 660 HA THR 79 HA THR 79 2.796 -3.337 3.736 661 HB THR 79 HB THR 79 3.715 -5.676 3.867 662 HG1 THR 79 HG1 THR 79 4.654 -3.436 4.881 663 1HG2 THR 79 HG21 THR 79 5.774 -6.247 2.852 664 2HG2 THR 79 HG22 THR 79 6.143 -4.567 2.461 665 3HG2 THR 79 HG23 THR 79 4.876 -5.420 1.580 666 H LEU 80 HN LEU 80 4.640 -1.834 4.174 667 HA LEU 80 HA LEU 80 5.256 -0.275 1.775 668 1HB LEU 80 HB2 LEU 80 6.117 0.083 4.661 669 2HB LEU 80 HB1 LEU 80 6.417 1.246 3.372 670 HG LEU 80 HG LEU 80 3.667 0.287 4.202 671 1HD1 LEU 80 HD11 LEU 80 4.570 1.542 6.034 672 2HD1 LEU 80 HD12 LEU 80 3.494 2.631 5.157 673 3HD1 LEU 80 HD13 LEU 80 5.241 2.759 4.948 674 1HD2 LEU 80 HD21 LEU 80 4.700 2.258 2.171 675 2HD2 LEU 80 HD22 LEU 80 3.140 2.550 2.938 676 3HD2 LEU 80 HD23 LEU 80 3.402 1.075 2.016 677 H ASP 81 HN ASP 81 7.488 0.338 1.209 678 HA ASP 81 HA ASP 81 9.150 -1.870 0.741 679 1HB ASP 81 HB2 ASP 81 10.490 0.793 1.070 680 2HB ASP 81 HB1 ASP 81 10.603 -0.362 -0.257 681 HA PRO 82 HA PRO 82 11.495 -2.641 4.413 682 1HB PRO 82 HB2 PRO 82 14.104 -1.888 3.172 683 2HB PRO 82 HB1 PRO 82 13.587 -3.446 3.844 684 1HG PRO 82 HG2 PRO 82 13.828 -3.091 1.220 685 2HG PRO 82 HG1 PRO 82 12.510 -4.070 1.894 686 1HD PRO 82 HD2 PRO 82 12.422 -1.237 0.877 687 2HD PRO 82 HD1 PRO 82 11.264 -2.564 0.615 688 H ASP 83 HN ASP 83 14.178 -1.254 4.916 689 HA ASP 83 HA ASP 83 13.059 1.057 6.340 690 1HB ASP 83 HB2 ASP 83 15.283 1.279 7.300 691 2HB ASP 83 HB1 ASP 83 14.835 -0.427 7.328 692 H SER 84 HN SER 84 13.670 0.665 3.227 693 HA SER 84 HA SER 84 15.518 2.663 2.424 694 1HB SER 84 HB2 SER 84 14.401 2.612 0.285 695 2HB SER 84 HB1 SER 84 14.404 0.971 0.930 696 HG SER 84 HG SER 84 12.259 2.467 1.737 697 H TYR 85 HN TYR 85 14.955 4.322 4.183 698 HA TYR 85 HA TYR 85 12.469 5.743 4.108 699 1HB TYR 85 HB2 TYR 85 13.831 7.606 5.189 700 2HB TYR 85 HB1 TYR 85 13.853 6.060 6.032 701 HD1 TYR 85 HD1 TYR 85 15.791 8.442 4.020 702 HD2 TYR 85 HD2 TYR 85 15.863 4.655 6.034 703 HE1 TYR 85 HE1 TYR 85 18.267 8.396 3.844 704 HE2 TYR 85 HE2 TYR 85 18.335 4.604 5.860 705 HH TYR 85 HH TYR 85 20.158 5.724 5.255 706 H ASN 86 HN ASN 86 15.606 6.397 2.587 707 HA ASN 86 HA ASN 86 14.252 7.586 0.271 708 1HB ASN 86 HB2 ASN 86 16.208 9.234 1.900 709 2HB ASN 86 HB1 ASN 86 15.527 9.683 0.340 710 1HD2 ASN 86 HD21 ASN 86 12.959 9.547 0.345 711 2HD2 ASN 86 HD22 ASN 86 12.200 10.203 1.715 712 H MET 87 HN MET 87 15.265 5.677 -0.614 713 HA MET 87 HA MET 87 18.143 5.342 -0.543 714 1HB MET 87 HB2 MET 87 17.730 3.605 -2.268 715 2HB MET 87 HB1 MET 87 16.642 3.430 -0.888 716 1HG MET 87 HG2 MET 87 15.138 3.238 -2.657 717 2HG MET 87 HG1 MET 87 15.049 4.971 -2.349 718 1HE MET 87 HE1 MET 87 14.955 5.742 -5.933 719 2HE MET 87 HE2 MET 87 14.889 6.455 -4.323 720 3HE MET 87 HE3 MET 87 13.944 5.012 -4.680 721 H PHE 88 HN PHE 88 19.649 6.236 -1.905 722 HA PHE 88 HA PHE 88 18.760 8.304 -3.771 723 1HB PHE 88 HB2 PHE 88 21.537 7.245 -3.162 724 2HB PHE 88 HB1 PHE 88 21.184 8.667 -4.143 725 HD1 PHE 88 HD1 PHE 88 20.256 10.708 -3.130 726 HD2 PHE 88 HD2 PHE 88 21.253 7.275 -0.749 727 HE1 PHE 88 HE1 PHE 88 20.130 12.095 -1.078 728 HE2 PHE 88 HE2 PHE 88 21.127 8.660 1.302 729 HZ PHE 88 HZ PHE 88 20.565 11.071 1.138 730 H GLU 89 HN GLU 89 20.280 5.105 -4.026 731 HA GLU 89 HA GLU 89 19.856 5.208 -7.002 732 1HB GLU 89 HB2 GLU 89 21.892 3.615 -5.418 733 2HB GLU 89 HB1 GLU 89 21.732 3.639 -7.173 734 1HG GLU 89 HG2 GLU 89 22.347 6.063 -5.458 735 2HG GLU 89 HG1 GLU 89 23.542 5.150 -6.379 736 H ASN 90 HN ASN 90 19.291 3.124 -7.982 737 HA ASN 90 HA ASN 90 17.384 1.638 -6.320 738 1HB ASN 90 HB2 ASN 90 16.967 2.268 -8.745 739 2HB ASN 90 HB1 ASN 90 18.189 1.074 -9.187 740 1HD2 ASN 90 HD21 ASN 90 16.245 0.003 -10.307 741 2HD2 ASN 90 HD22 ASN 90 15.263 -1.020 -9.374 742 H GLY 91 HN GLY 91 20.600 1.522 -6.606 743 1HA GLY 91 HA2 GLY 91 20.706 -1.365 -5.875 744 2HA GLY 91 HA1 GLY 91 21.775 -0.783 -7.153 745 H SER 92 HN SER 92 23.389 0.845 -6.577 746 HA SER 92 HA SER 92 24.395 0.452 -3.834 747 1HB SER 92 HB2 SER 92 25.877 0.458 -5.900 748 2HB SER 92 HB1 SER 92 25.565 2.186 -6.025 749 HG SER 92 HG SER 92 27.094 0.759 -4.209 750 H PHE 93 HN PHE 93 22.537 1.629 -2.843 751 HA PHE 93 HA PHE 93 22.464 4.549 -3.304 752 1HB PHE 93 HB2 PHE 93 20.599 4.492 -1.640 753 2HB PHE 93 HB1 PHE 93 20.320 3.452 -3.034 754 HD1 PHE 93 HD1 PHE 93 21.101 3.551 0.562 755 HD2 PHE 93 HD2 PHE 93 20.405 1.021 -2.840 756 HE1 PHE 93 HE1 PHE 93 20.829 1.599 2.068 757 HE2 PHE 93 HE2 PHE 93 20.135 -0.930 -1.334 758 HZ PHE 93 HZ PHE 93 20.346 -0.642 1.120 759 H LEU 94 HN LEU 94 24.401 2.539 -1.560 760 HA LEU 94 HA LEU 94 24.498 4.099 0.932 761 1HB LEU 94 HB2 LEU 94 26.418 2.009 -0.152 762 2HB LEU 94 HB1 LEU 94 26.399 2.637 1.493 763 HG LEU 94 HG LEU 94 24.070 1.184 0.204 764 1HD1 LEU 94 HD11 LEU 94 25.845 -0.407 0.407 765 2HD1 LEU 94 HD12 LEU 94 24.803 -0.663 1.808 766 3HD1 LEU 94 HD13 LEU 94 26.318 0.222 1.986 767 1HD2 LEU 94 HD21 LEU 94 23.208 2.489 1.978 768 2HD2 LEU 94 HD22 LEU 94 24.646 2.257 2.971 769 3HD2 LEU 94 HD23 LEU 94 23.512 0.928 2.735 Start of MODEL 21 1 1H MET 1 HT1 MET 1 -23.370 19.939 2.554 2 2H MET 1 HT2 MET 1 -21.713 19.846 2.915 3 3H MET 1 HT3 MET 1 -22.768 18.622 3.438 4 HA MET 1 HA MET 1 -23.214 17.992 1.146 5 1HB MET 1 HB2 MET 1 -21.235 20.224 0.613 6 2HB MET 1 HB1 MET 1 -21.670 19.008 -0.590 7 1HG MET 1 HG2 MET 1 -24.041 19.654 -0.390 8 2HG MET 1 HG1 MET 1 -23.609 20.872 0.810 9 1HE MET 1 HE1 MET 1 -25.293 21.393 -1.480 10 2HE MET 1 HE2 MET 1 -24.669 22.669 -2.523 11 3HE MET 1 HE3 MET 1 -24.743 22.922 -0.781 12 H LEU 2 HN LEU 2 -22.002 16.214 0.432 13 HA LEU 2 HA LEU 2 -19.668 15.540 2.107 14 1HB LEU 2 HB2 LEU 2 -20.955 13.906 -0.097 15 2HB LEU 2 HB1 LEU 2 -19.866 13.325 1.162 16 HG LEU 2 HG LEU 2 -22.646 14.463 1.574 17 1HD1 LEU 2 HD11 LEU 2 -23.306 12.251 2.137 18 2HD1 LEU 2 HD12 LEU 2 -21.636 11.694 2.239 19 3HD1 LEU 2 HD13 LEU 2 -22.343 12.078 0.669 20 1HD2 LEU 2 HD21 LEU 2 -22.122 13.564 3.980 21 2HD2 LEU 2 HD22 LEU 2 -21.484 15.135 3.501 22 3HD2 LEU 2 HD23 LEU 2 -20.436 13.716 3.486 23 H VAL 3 HN VAL 3 -17.588 15.371 1.368 24 HA VAL 3 HA VAL 3 -17.024 15.701 -1.531 25 HB VAL 3 HB VAL 3 -15.368 17.502 -1.025 26 1HG1 VAL 3 HG11 VAL 3 -17.706 18.000 -1.791 27 2HG1 VAL 3 HG12 VAL 3 -16.998 19.290 -0.820 28 3HG1 VAL 3 HG13 VAL 3 -18.173 18.189 -0.101 29 1HG2 VAL 3 HG21 VAL 3 -14.969 17.041 1.329 30 2HG2 VAL 3 HG22 VAL 3 -16.664 17.337 1.714 31 3HG2 VAL 3 HG23 VAL 3 -15.633 18.669 1.189 32 H LYS 4 HN LYS 4 -14.809 15.055 -2.057 33 HA LYS 4 HA LYS 4 -13.869 12.878 -0.413 34 1HB LYS 4 HB2 LYS 4 -12.312 14.286 -2.597 35 2HB LYS 4 HB1 LYS 4 -12.118 12.624 -2.045 36 1HG LYS 4 HG2 LYS 4 -14.491 13.790 -3.523 37 2HG LYS 4 HG1 LYS 4 -13.356 12.579 -4.120 38 1HD LYS 4 HD2 LYS 4 -14.117 11.167 -2.074 39 2HD LYS 4 HD1 LYS 4 -15.483 12.279 -2.001 40 1HE LYS 4 HE2 LYS 4 -15.806 11.760 -4.508 41 2HE LYS 4 HE1 LYS 4 -14.723 10.396 -4.234 42 1HZ LYS 4 HZ1 LYS 4 -16.488 9.292 -3.518 43 2HZ LYS 4 HZ2 LYS 4 -17.463 10.685 -3.535 44 3HZ LYS 4 HZ3 LYS 4 -16.525 10.316 -2.166 45 HA PRO 5 HA PRO 5 -11.244 15.374 2.198 46 1HB PRO 5 HB2 PRO 5 -9.661 13.526 3.312 47 2HB PRO 5 HB1 PRO 5 -11.407 13.533 3.622 48 1HG PRO 5 HG2 PRO 5 -9.858 11.875 1.671 49 2HG PRO 5 HG1 PRO 5 -11.096 11.362 2.832 50 1HD PRO 5 HD2 PRO 5 -11.666 11.830 0.194 51 2HD PRO 5 HD1 PRO 5 -12.849 12.099 1.496 52 HA PRO 6 HA PRO 6 -7.753 16.694 -0.303 53 1HB PRO 6 HB2 PRO 6 -6.330 16.696 2.349 54 2HB PRO 6 HB1 PRO 6 -6.303 17.918 1.061 55 1HG PRO 6 HG2 PRO 6 -7.809 18.241 3.237 56 2HG PRO 6 HG1 PRO 6 -8.365 18.770 1.639 57 1HD PRO 6 HD2 PRO 6 -9.316 16.481 3.282 58 2HD PRO 6 HD1 PRO 6 -10.155 17.371 1.992 59 H TYR 7 HN TYR 7 -7.454 13.985 1.928 60 HA TYR 7 HA TYR 7 -4.856 13.089 1.190 61 1HB TYR 7 HB2 TYR 7 -7.152 11.229 1.821 62 2HB TYR 7 HB1 TYR 7 -5.442 11.006 2.181 63 HD1 TYR 7 HD1 TYR 7 -4.493 13.338 3.466 64 HD2 TYR 7 HD2 TYR 7 -8.414 11.602 3.743 65 HE1 TYR 7 HE1 TYR 7 -4.832 14.447 5.655 66 HE2 TYR 7 HE2 TYR 7 -8.757 12.717 5.924 67 HH TYR 7 HH TYR 7 -6.547 15.117 7.130 68 H SER 8 HN SER 8 -4.105 12.112 -0.628 69 HA SER 8 HA SER 8 -5.936 11.738 -2.893 70 1HB SER 8 HB2 SER 8 -3.638 12.652 -3.213 71 2HB SER 8 HB1 SER 8 -2.973 11.117 -2.660 72 HG SER 8 HG SER 8 -4.536 11.654 -4.962 73 H TYR 9 HN TYR 9 -5.724 9.570 -4.135 74 HA TYR 9 HA TYR 9 -6.614 7.458 -2.450 75 1HB TYR 9 HB2 TYR 9 -5.421 7.301 -5.236 76 2HB TYR 9 HB1 TYR 9 -6.346 6.020 -4.448 77 HD1 TYR 9 HD1 TYR 9 -8.752 6.241 -4.067 78 HD2 TYR 9 HD2 TYR 9 -6.502 9.370 -5.970 79 HE1 TYR 9 HE1 TYR 9 -10.855 7.323 -4.780 80 HE2 TYR 9 HE2 TYR 9 -8.616 10.449 -6.691 81 HH TYR 9 HH TYR 9 -11.612 9.651 -5.409 82 H ILE 10 HN ILE 10 -3.392 8.159 -3.800 83 HA ILE 10 HA ILE 10 -2.123 5.769 -2.883 84 HB ILE 10 HB ILE 10 -0.993 8.561 -3.260 85 1HG1 ILE 10 HG12 ILE 10 -0.759 6.127 -5.047 86 2HG1 ILE 10 HG11 ILE 10 -2.024 7.339 -5.252 87 1HG2 ILE 10 HG21 ILE 10 0.547 7.401 -1.860 88 2HG2 ILE 10 HG22 ILE 10 1.181 7.211 -3.494 89 3HG2 ILE 10 HG23 ILE 10 0.310 5.884 -2.726 90 1HD1 ILE 10 HD11 ILE 10 -0.289 9.093 -5.485 91 2HD1 ILE 10 HD12 ILE 10 -0.115 7.843 -6.717 92 3HD1 ILE 10 HD13 ILE 10 0.963 7.862 -5.322 93 H ALA 11 HN ALA 11 -2.597 8.939 -1.334 94 HA ALA 11 HA ALA 11 -1.196 8.265 1.088 95 1HB ALA 11 HB1 ALA 11 -3.479 10.245 0.912 96 2HB ALA 11 HB2 ALA 11 -1.893 10.601 0.227 97 3HB ALA 11 HB3 ALA 11 -2.059 10.303 1.956 98 H LEU 12 HN LEU 12 -4.637 8.052 0.151 99 HA LEU 12 HA LEU 12 -5.600 7.265 2.714 100 1HB LEU 12 HB2 LEU 12 -6.596 6.609 -0.070 101 2HB LEU 12 HB1 LEU 12 -7.467 6.161 1.395 102 HG LEU 12 HG LEU 12 -6.655 8.998 0.688 103 1HD1 LEU 12 HD11 LEU 12 -9.106 9.289 0.222 104 2HD1 LEU 12 HD12 LEU 12 -9.295 7.541 0.366 105 3HD1 LEU 12 HD13 LEU 12 -8.295 8.217 -0.920 106 1HD2 LEU 12 HD21 LEU 12 -8.647 9.301 2.457 107 2HD2 LEU 12 HD22 LEU 12 -6.982 9.096 2.979 108 3HD2 LEU 12 HD23 LEU 12 -8.085 7.721 3.001 109 H ILE 13 HN ILE 13 -4.219 5.351 0.047 110 HA ILE 13 HA ILE 13 -4.664 2.790 1.275 111 HB ILE 13 HB ILE 13 -2.478 3.693 -0.634 112 1HG1 ILE 13 HG12 ILE 13 -4.989 2.087 -1.191 113 2HG1 ILE 13 HG11 ILE 13 -4.897 3.834 -1.411 114 1HG2 ILE 13 HG21 ILE 13 -2.388 1.183 -1.109 115 2HG2 ILE 13 HG22 ILE 13 -3.319 0.965 0.371 116 3HG2 ILE 13 HG23 ILE 13 -1.714 1.694 0.438 117 1HD1 ILE 13 HD11 ILE 13 -3.052 3.557 -3.007 118 2HD1 ILE 13 HD12 ILE 13 -4.446 2.612 -3.528 119 3HD1 ILE 13 HD13 ILE 13 -3.078 1.812 -2.755 120 H THR 14 HN THR 14 -1.954 5.085 1.368 121 HA THR 14 HA THR 14 -0.205 3.560 3.001 122 HB THR 14 HB THR 14 -0.524 6.566 2.856 123 HG1 THR 14 HG1 THR 14 1.463 6.050 1.490 124 1HG2 THR 14 HG21 THR 14 1.953 6.432 3.497 125 2HG2 THR 14 HG22 THR 14 1.628 4.763 3.965 126 3HG2 THR 14 HG23 THR 14 0.789 6.085 4.776 127 H MET 15 HN MET 15 -2.809 5.812 3.872 128 HA MET 15 HA MET 15 -2.275 5.803 6.694 129 1HB MET 15 HB2 MET 15 -4.778 6.393 5.092 130 2HB MET 15 HB1 MET 15 -4.677 6.609 6.839 131 1HG MET 15 HG2 MET 15 -2.779 8.155 6.541 132 2HG MET 15 HG1 MET 15 -2.877 7.943 4.794 133 1HE MET 15 HE1 MET 15 -3.301 10.659 4.292 134 2HE MET 15 HE2 MET 15 -2.699 10.527 5.943 135 3HE MET 15 HE3 MET 15 -4.081 11.564 5.596 136 H ALA 16 HN ALA 16 -4.365 3.815 4.629 137 HA ALA 16 HA ALA 16 -5.688 2.366 6.686 138 1HB ALA 16 HB1 ALA 16 -5.963 0.605 4.905 139 2HB ALA 16 HB2 ALA 16 -4.897 1.563 3.875 140 3HB ALA 16 HB3 ALA 16 -6.446 2.223 4.396 141 H ILE 17 HN ILE 17 -2.634 1.666 4.975 142 HA ILE 17 HA ILE 17 -2.080 -0.817 6.278 143 HB ILE 17 HB ILE 17 -0.103 1.259 5.277 144 1HG1 ILE 17 HG12 ILE 17 -1.260 -1.128 3.812 145 2HG1 ILE 17 HG11 ILE 17 -1.887 0.509 3.639 146 1HG2 ILE 17 HG21 ILE 17 1.323 -0.788 4.937 147 2HG2 ILE 17 HG22 ILE 17 0.096 -1.726 5.788 148 3HG2 ILE 17 HG23 ILE 17 0.974 -0.451 6.633 149 1HD1 ILE 17 HD11 ILE 17 0.516 1.201 3.046 150 2HD1 ILE 17 HD12 ILE 17 -0.351 0.251 1.842 151 3HD1 ILE 17 HD13 ILE 17 0.848 -0.524 2.876 152 H GLN 18 HN GLN 18 -1.101 2.507 7.022 153 HA GLN 18 HA GLN 18 0.456 1.943 9.333 154 1HB GLN 18 HB2 GLN 18 -1.176 4.376 8.567 155 2HB GLN 18 HB1 GLN 18 -0.105 4.332 9.969 156 1HG GLN 18 HG2 GLN 18 0.809 3.673 7.159 157 2HG GLN 18 HG1 GLN 18 0.943 5.281 7.868 158 1HE2 GLN 18 HE21 GLN 18 1.804 4.840 10.435 159 2HE2 GLN 18 HE22 GLN 18 3.271 3.987 10.451 160 H ASN 19 HN ASN 19 -3.029 2.526 8.964 161 HA ASN 19 HA ASN 19 -3.495 2.275 11.853 162 1HB ASN 19 HB2 ASN 19 -5.386 2.464 9.488 163 2HB ASN 19 HB1 ASN 19 -5.905 2.428 11.173 164 1HD2 ASN 19 HD21 ASN 19 -5.296 4.576 8.714 165 2HD2 ASN 19 HD22 ASN 19 -4.856 5.937 9.630 166 H ALA 20 HN ALA 20 -2.848 0.094 9.424 167 HA ALA 20 HA ALA 20 -4.771 -1.973 10.150 168 1HB ALA 20 HB1 ALA 20 -2.158 -2.340 8.665 169 2HB ALA 20 HB2 ALA 20 -3.628 -1.737 7.892 170 3HB ALA 20 HB3 ALA 20 -3.597 -3.359 8.585 171 HA PRO 21 HA PRO 21 -2.578 -3.190 13.948 172 1HB PRO 21 HB2 PRO 21 -3.609 -5.876 13.055 173 2HB PRO 21 HB1 PRO 21 -3.625 -5.150 14.676 174 1HG PRO 21 HG2 PRO 21 -5.818 -5.192 13.168 175 2HG PRO 21 HG1 PRO 21 -5.438 -3.803 14.201 176 1HD PRO 21 HD2 PRO 21 -5.296 -4.022 11.231 177 2HD PRO 21 HD1 PRO 21 -5.535 -2.584 12.246 178 H GLU 22 HN GLU 22 -2.466 -5.574 11.279 179 HA GLU 22 HA GLU 22 0.456 -5.934 11.756 180 1HB GLU 22 HB2 GLU 22 -1.131 -7.931 11.507 181 2HB GLU 22 HB1 GLU 22 -1.294 -7.465 9.812 182 1HG GLU 22 HG2 GLU 22 1.153 -7.636 9.527 183 2HG GLU 22 HG1 GLU 22 1.316 -8.105 11.218 184 H LYS 23 HN LYS 23 1.945 -5.315 10.163 185 HA LYS 23 HA LYS 23 1.215 -3.217 8.392 186 1HB LYS 23 HB2 LYS 23 3.626 -5.056 8.349 187 2HB LYS 23 HB1 LYS 23 3.477 -3.606 7.361 188 1HG LYS 23 HG2 LYS 23 3.252 -3.587 10.382 189 2HG LYS 23 HG1 LYS 23 4.769 -3.313 9.529 190 1HD LYS 23 HD2 LYS 23 3.457 -1.463 8.244 191 2HD LYS 23 HD1 LYS 23 2.286 -1.594 9.555 192 1HE LYS 23 HE2 LYS 23 4.101 -1.186 11.196 193 2HE LYS 23 HE1 LYS 23 5.233 -0.974 9.862 194 1HZ LYS 23 HZ1 LYS 23 3.529 0.925 10.977 195 2HZ LYS 23 HZ2 LYS 23 2.964 0.618 9.406 196 3HZ LYS 23 HZ3 LYS 23 4.570 1.112 9.651 197 H LYS 24 HN LYS 24 1.451 -6.722 7.814 198 HA LYS 24 HA LYS 24 1.061 -6.392 4.936 199 1HB LYS 24 HB2 LYS 24 0.717 -8.831 6.712 200 2HB LYS 24 HB1 LYS 24 0.639 -8.846 4.953 201 1HG LYS 24 HG2 LYS 24 2.956 -8.038 4.829 202 2HG LYS 24 HG1 LYS 24 3.047 -8.016 6.594 203 1HD LYS 24 HD2 LYS 24 2.569 -10.436 6.647 204 2HD LYS 24 HD1 LYS 24 2.481 -10.458 4.886 205 1HE LYS 24 HE2 LYS 24 4.924 -9.664 6.509 206 2HE LYS 24 HE1 LYS 24 4.700 -11.214 5.697 207 1HZ LYS 24 HZ1 LYS 24 4.545 -8.639 4.248 208 2HZ LYS 24 HZ2 LYS 24 4.739 -10.199 3.605 209 3HZ LYS 24 HZ3 LYS 24 6.009 -9.466 4.463 210 H ILE 25 HN ILE 25 -0.879 -6.134 3.927 211 HA ILE 25 HA ILE 25 -3.378 -6.917 5.352 212 HB ILE 25 HB ILE 25 -2.897 -4.472 5.740 213 1HG1 ILE 25 HG12 ILE 25 -5.306 -4.938 3.963 214 2HG1 ILE 25 HG11 ILE 25 -5.218 -5.507 5.630 215 1HG2 ILE 25 HG21 ILE 25 -1.834 -4.195 3.438 216 2HG2 ILE 25 HG22 ILE 25 -2.965 -2.928 3.916 217 3HG2 ILE 25 HG23 ILE 25 -3.473 -4.181 2.784 218 1HD1 ILE 25 HD11 ILE 25 -5.070 -3.293 6.489 219 2HD1 ILE 25 HD12 ILE 25 -6.334 -3.227 5.260 220 3HD1 ILE 25 HD13 ILE 25 -4.720 -2.618 4.897 221 H THR 26 HN THR 26 -5.075 -7.464 3.959 222 HA THR 26 HA THR 26 -4.251 -8.222 1.249 223 HB THR 26 HB THR 26 -6.523 -9.241 1.158 224 HG1 THR 26 HG1 THR 26 -7.943 -8.860 2.715 225 1HG2 THR 26 HG21 THR 26 -6.171 -10.613 3.414 226 2HG2 THR 26 HG22 THR 26 -4.625 -9.771 3.423 227 3HG2 THR 26 HG23 THR 26 -5.059 -10.801 2.059 228 H LEU 27 HN LEU 27 -5.263 -7.427 -0.679 229 HA LEU 27 HA LEU 27 -5.816 -4.639 -0.726 230 1HB LEU 27 HB2 LEU 27 -5.056 -5.915 -2.698 231 2HB LEU 27 HB1 LEU 27 -6.585 -6.785 -2.733 232 HG LEU 27 HG LEU 27 -7.793 -4.695 -3.181 233 1HD1 LEU 27 HD11 LEU 27 -5.065 -3.503 -2.731 234 2HD1 LEU 27 HD12 LEU 27 -6.627 -2.966 -2.116 235 3HD1 LEU 27 HD13 LEU 27 -6.207 -2.689 -3.802 236 1HD2 LEU 27 HD21 LEU 27 -6.581 -4.131 -5.405 237 2HD2 LEU 27 HD22 LEU 27 -7.145 -5.785 -5.169 238 3HD2 LEU 27 HD23 LEU 27 -5.441 -5.392 -4.941 239 H ASN 28 HN ASN 28 -7.956 -7.456 -0.668 240 HA ASN 28 HA ASN 28 -10.443 -6.103 -0.911 241 1HB ASN 28 HB2 ASN 28 -9.734 -8.638 0.582 242 2HB ASN 28 HB1 ASN 28 -11.380 -8.116 0.220 243 1HD2 ASN 28 HD21 ASN 28 -11.259 -7.243 -2.386 244 2HD2 ASN 28 HD22 ASN 28 -10.723 -8.480 -3.417 245 H GLY 29 HN GLY 29 -8.488 -6.869 1.954 246 1HA GLY 29 HA2 GLY 29 -10.329 -5.964 3.926 247 2HA GLY 29 HA1 GLY 29 -8.583 -6.043 4.143 248 H ILE 30 HN ILE 30 -7.853 -4.197 2.089 249 HA ILE 30 HA ILE 30 -8.015 -1.751 3.519 250 HB ILE 30 HB ILE 30 -7.334 -2.309 0.620 251 1HG1 ILE 30 HG12 ILE 30 -5.593 -1.528 2.980 252 2HG1 ILE 30 HG11 ILE 30 -5.873 -3.199 2.491 253 1HG2 ILE 30 HG21 ILE 30 -6.256 0.029 0.823 254 2HG2 ILE 30 HG22 ILE 30 -7.315 0.262 2.212 255 3HG2 ILE 30 HG23 ILE 30 -8.007 -0.027 0.616 256 1HD1 ILE 30 HD11 ILE 30 -4.869 -1.152 0.512 257 2HD1 ILE 30 HD12 ILE 30 -4.762 -2.910 0.428 258 3HD1 ILE 30 HD13 ILE 30 -3.759 -2.019 1.572 259 H TYR 31 HN TYR 31 -10.006 -2.936 0.789 260 HA TYR 31 HA TYR 31 -11.391 -0.491 0.349 261 1HB TYR 31 HB2 TYR 31 -12.170 -3.384 -0.034 262 2HB TYR 31 HB1 TYR 31 -13.324 -2.099 -0.368 263 HD1 TYR 31 HD1 TYR 31 -11.064 -4.178 -1.920 264 HD2 TYR 31 HD2 TYR 31 -12.078 -0.011 -1.733 265 HE1 TYR 31 HE1 TYR 31 -10.023 -3.828 -4.135 266 HE2 TYR 31 HE2 TYR 31 -11.023 0.337 -3.940 267 HH TYR 31 HH TYR 31 -10.540 -1.719 -6.081 268 H GLN 32 HN GLN 32 -12.071 -3.148 2.612 269 HA GLN 32 HA GLN 32 -14.539 -2.110 3.603 270 1HB GLN 32 HB2 GLN 32 -12.399 -3.811 4.895 271 2HB GLN 32 HB1 GLN 32 -13.950 -3.466 5.660 272 1HG GLN 32 HG2 GLN 32 -15.134 -4.485 3.768 273 2HG GLN 32 HG1 GLN 32 -13.598 -4.785 2.952 274 1HE2 GLN 32 HE21 GLN 32 -15.782 -6.624 4.289 275 2HE2 GLN 32 HE22 GLN 32 -14.848 -7.693 5.220 276 H PHE 33 HN PHE 33 -11.184 -1.538 4.596 277 HA PHE 33 HA PHE 33 -11.714 0.015 6.912 278 1HB PHE 33 HB2 PHE 33 -9.499 -0.909 6.320 279 2HB PHE 33 HB1 PHE 33 -9.384 0.242 4.989 280 HD1 PHE 33 HD1 PHE 33 -9.349 -0.179 8.642 281 HD2 PHE 33 HD2 PHE 33 -9.050 2.630 5.407 282 HE1 PHE 33 HE1 PHE 33 -8.456 1.526 10.206 283 HE2 PHE 33 HE2 PHE 33 -8.162 4.337 6.973 284 HZ PHE 33 HZ PHE 33 -7.865 3.784 9.371 285 H ILE 34 HN ILE 34 -11.088 1.146 3.562 286 HA ILE 34 HA ILE 34 -11.332 3.915 4.130 287 HB ILE 34 HB ILE 34 -11.868 2.351 1.596 288 1HG1 ILE 34 HG12 ILE 34 -9.592 4.201 2.363 289 2HG1 ILE 34 HG11 ILE 34 -9.541 2.453 2.596 290 1HG2 ILE 34 HG21 ILE 34 -11.577 4.680 0.526 291 2HG2 ILE 34 HG22 ILE 34 -11.913 5.331 2.130 292 3HG2 ILE 34 HG23 ILE 34 -13.127 4.357 1.301 293 1HD1 ILE 34 HD11 ILE 34 -10.110 3.732 -0.087 294 2HD1 ILE 34 HD12 ILE 34 -9.720 2.045 0.241 295 3HD1 ILE 34 HD13 ILE 34 -8.486 3.288 0.439 296 H MET 35 HN MET 35 -13.853 1.593 3.099 297 HA MET 35 HA MET 35 -15.951 3.500 2.892 298 1HB MET 35 HB2 MET 35 -15.990 0.561 3.623 299 2HB MET 35 HB1 MET 35 -17.454 1.506 3.346 300 1HG MET 35 HG2 MET 35 -16.664 2.071 1.080 301 2HG MET 35 HG1 MET 35 -15.196 1.135 1.352 302 1HE MET 35 HE1 MET 35 -15.076 -1.525 1.264 303 2HE MET 35 HE2 MET 35 -15.126 -0.585 -0.226 304 3HE MET 35 HE3 MET 35 -16.051 -2.079 -0.103 305 H ASP 36 HN ASP 36 -14.790 1.629 5.686 306 HA ASP 36 HA ASP 36 -16.795 2.636 7.505 307 1HB ASP 36 HB2 ASP 36 -14.074 1.383 7.944 308 2HB ASP 36 HB1 ASP 36 -15.166 1.814 9.262 309 H ARG 37 HN ARG 37 -13.476 3.664 6.710 310 HA ARG 37 HA ARG 37 -13.312 5.667 8.760 311 1HB ARG 37 HB2 ARG 37 -11.379 4.678 7.448 312 2HB ARG 37 HB1 ARG 37 -11.880 5.686 6.097 313 1HG ARG 37 HG2 ARG 37 -10.214 6.965 7.187 314 2HG ARG 37 HG1 ARG 37 -11.734 7.678 7.710 315 1HD ARG 37 HD2 ARG 37 -10.530 5.492 9.390 316 2HD ARG 37 HD1 ARG 37 -9.843 7.109 9.474 317 HE ARG 37 HE ARG 37 -12.560 7.541 9.773 318 1HH1 ARG 37 HH21 ARG 37 -10.163 5.540 11.233 319 2HH1 ARG 37 HH22 ARG 37 -10.921 5.538 12.790 320 1HH2 ARG 37 HH11 ARG 37 -13.566 7.550 11.802 321 2HH2 ARG 37 HH12 ARG 37 -12.846 6.675 13.112 322 H PHE 38 HN PHE 38 -13.761 6.126 5.229 323 HA PHE 38 HA PHE 38 -15.014 8.770 5.817 324 1HB PHE 38 HB2 PHE 38 -13.836 7.630 3.273 325 2HB PHE 38 HB1 PHE 38 -14.575 9.227 3.407 326 HD1 PHE 38 HD1 PHE 38 -11.646 7.184 4.123 327 HD2 PHE 38 HD2 PHE 38 -13.551 10.951 4.915 328 HE1 PHE 38 HE1 PHE 38 -9.502 8.085 4.982 329 HE2 PHE 38 HE2 PHE 38 -11.404 11.854 5.774 330 HZ PHE 38 HZ PHE 38 -9.382 10.421 5.808 331 HA PRO 39 HA PRO 39 -18.807 6.611 4.607 332 1HB PRO 39 HB2 PRO 39 -20.603 8.551 5.111 333 2HB PRO 39 HB1 PRO 39 -19.715 7.755 6.427 334 1HG PRO 39 HG2 PRO 39 -19.172 10.390 5.118 335 2HG PRO 39 HG1 PRO 39 -19.205 9.984 6.844 336 1HD PRO 39 HD2 PRO 39 -16.875 10.138 5.387 337 2HD PRO 39 HD1 PRO 39 -17.067 9.092 6.812 338 H PHE 40 HN PHE 40 -17.613 9.488 3.055 339 HA PHE 40 HA PHE 40 -19.684 9.965 1.172 340 1HB PHE 40 HB2 PHE 40 -16.825 10.272 0.312 341 2HB PHE 40 HB1 PHE 40 -18.183 11.378 0.104 342 HD1 PHE 40 HD1 PHE 40 -15.173 11.406 1.530 343 HD2 PHE 40 HD2 PHE 40 -19.277 11.664 2.786 344 HE1 PHE 40 HE1 PHE 40 -14.477 12.642 3.563 345 HE2 PHE 40 HE2 PHE 40 -18.577 12.898 4.819 346 HZ PHE 40 HZ PHE 40 -16.177 13.388 5.207 347 H TYR 41 HN TYR 41 -16.948 7.720 1.057 348 HA TYR 41 HA TYR 41 -17.342 6.855 -1.643 349 1HB TYR 41 HB2 TYR 41 -16.047 5.461 0.708 350 2HB TYR 41 HB1 TYR 41 -15.908 4.945 -0.976 351 HD1 TYR 41 HD1 TYR 41 -14.527 6.139 -2.544 352 HD2 TYR 41 HD2 TYR 41 -15.159 7.659 1.412 353 HE1 TYR 41 HE1 TYR 41 -12.739 7.812 -2.910 354 HE2 TYR 41 HE2 TYR 41 -13.360 9.331 1.071 355 HH TYR 41 HH TYR 41 -11.178 9.363 -0.599 356 H ARG 42 HN ARG 42 -19.087 6.137 1.246 357 HA ARG 42 HA ARG 42 -19.974 3.495 0.667 358 1HB ARG 42 HB2 ARG 42 -21.531 5.741 1.993 359 2HB ARG 42 HB1 ARG 42 -21.889 4.022 2.125 360 1HG ARG 42 HG2 ARG 42 -19.177 5.075 2.907 361 2HG ARG 42 HG1 ARG 42 -20.530 5.165 4.033 362 1HD ARG 42 HD2 ARG 42 -19.475 2.635 2.732 363 2HD ARG 42 HD1 ARG 42 -19.229 3.120 4.408 364 HE ARG 42 HE ARG 42 -21.971 3.117 4.164 365 1HH1 ARG 42 HH21 ARG 42 -19.423 0.914 3.425 366 2HH1 ARG 42 HH22 ARG 42 -20.378 -0.500 3.724 367 1HH2 ARG 42 HH11 ARG 42 -23.233 1.282 4.564 368 2HH2 ARG 42 HH12 ARG 42 -22.536 -0.291 4.369 369 H GLU 43 HN GLU 43 -21.429 6.642 -0.191 370 HA GLU 43 HA GLU 43 -23.549 5.479 -1.748 371 1HB GLU 43 HB2 GLU 43 -22.369 8.258 -1.664 372 2HB GLU 43 HB1 GLU 43 -23.773 7.835 -2.644 373 1HG GLU 43 HG2 GLU 43 -25.038 7.197 -0.693 374 2HG GLU 43 HG1 GLU 43 -23.617 7.349 0.340 375 H ASN 44 HN ASN 44 -20.394 6.763 -2.544 376 HA ASN 44 HA ASN 44 -20.776 6.123 -5.421 377 1HB ASN 44 HB2 ASN 44 -19.666 8.272 -4.638 378 2HB ASN 44 HB1 ASN 44 -18.320 7.281 -4.077 379 1HD2 ASN 44 HD21 ASN 44 -20.275 7.814 -7.063 380 2HD2 ASN 44 HD22 ASN 44 -18.979 7.574 -8.131 381 H LYS 45 HN LYS 45 -20.631 3.890 -5.611 382 HA LYS 45 HA LYS 45 -18.364 2.480 -4.301 383 1HB LYS 45 HB2 LYS 45 -20.800 1.501 -5.810 384 2HB LYS 45 HB1 LYS 45 -19.541 0.440 -5.186 385 1HG LYS 45 HG2 LYS 45 -19.971 1.262 -2.900 386 2HG LYS 45 HG1 LYS 45 -21.237 2.323 -3.522 387 1HD LYS 45 HD2 LYS 45 -22.470 0.362 -4.371 388 2HD LYS 45 HD1 LYS 45 -21.210 -0.701 -3.748 389 1HE LYS 45 HE2 LYS 45 -22.971 -0.689 -2.115 390 2HE LYS 45 HE1 LYS 45 -21.660 0.289 -1.455 391 1HZ LYS 45 HZ1 LYS 45 -24.014 1.366 -2.911 392 2HZ LYS 45 HZ2 LYS 45 -22.780 2.274 -2.177 393 3HZ LYS 45 HZ3 LYS 45 -23.842 1.353 -1.223 394 H GLN 46 HN GLN 46 -19.710 3.141 -7.517 395 HA GLN 46 HA GLN 46 -17.516 1.680 -8.830 396 1HB GLN 46 HB2 GLN 46 -19.868 3.279 -9.866 397 2HB GLN 46 HB1 GLN 46 -18.674 2.520 -10.920 398 1HG GLN 46 HG2 GLN 46 -19.188 0.320 -9.914 399 2HG GLN 46 HG1 GLN 46 -20.382 1.084 -8.866 400 1HE2 GLN 46 HE21 GLN 46 -20.793 2.921 -11.475 401 2HE2 GLN 46 HE22 GLN 46 -21.914 2.004 -12.357 402 H GLY 47 HN GLY 47 -15.777 2.626 -9.853 403 1HA GLY 47 HA2 GLY 47 -14.744 4.550 -10.985 404 2HA GLY 47 HA1 GLY 47 -15.609 5.618 -9.886 405 H TRP 48 HN TRP 48 -15.058 4.849 -7.408 406 HA TRP 48 HA TRP 48 -12.169 5.309 -7.219 407 1HB TRP 48 HB2 TRP 48 -12.526 5.753 -4.930 408 2HB TRP 48 HB1 TRP 48 -13.961 6.379 -5.731 409 HD1 TRP 48 HD1 TRP 48 -16.241 4.955 -5.441 410 HE1 TRP 48 HE1 TRP 48 -16.970 3.314 -3.602 411 HE3 TRP 48 HE3 TRP 48 -11.714 3.951 -3.295 412 HZ2 TRP 48 HZ2 TRP 48 -15.805 1.773 -1.499 413 HZ3 TRP 48 HZ3 TRP 48 -11.557 2.397 -1.373 414 HH2 TRP 48 HH2 TRP 48 -13.593 1.307 -0.472 415 H GLN 49 HN GLN 49 -14.156 2.539 -7.302 416 HA GLN 49 HA GLN 49 -12.642 0.884 -5.494 417 1HB GLN 49 HB2 GLN 49 -14.951 0.345 -6.267 418 2HB GLN 49 HB1 GLN 49 -14.304 0.016 -7.875 419 1HG GLN 49 HG2 GLN 49 -12.862 -1.750 -6.950 420 2HG GLN 49 HG1 GLN 49 -13.473 -1.410 -5.331 421 1HE2 GLN 49 HE21 GLN 49 -14.983 -2.964 -4.746 422 2HE2 GLN 49 HE22 GLN 49 -16.138 -3.646 -5.786 423 H ASN 50 HN ASN 50 -12.606 1.031 -9.086 424 HA ASN 50 HA ASN 50 -10.346 -0.750 -9.285 425 1HB ASN 50 HB2 ASN 50 -11.557 1.231 -11.230 426 2HB ASN 50 HB1 ASN 50 -10.226 0.155 -11.653 427 1HD2 ASN 50 HD21 ASN 50 -11.958 -1.576 -9.431 428 2HD2 ASN 50 HD22 ASN 50 -13.011 -2.409 -10.468 429 H SER 51 HN SER 51 -10.610 2.723 -8.821 430 HA SER 51 HA SER 51 -8.054 3.509 -9.781 431 1HB SER 51 HB2 SER 51 -8.315 5.474 -8.385 432 2HB SER 51 HB1 SER 51 -9.893 5.055 -9.044 433 HG SER 51 HG SER 51 -9.191 5.293 -6.511 434 H ILE 52 HN ILE 52 -9.034 2.226 -6.624 435 HA ILE 52 HA ILE 52 -6.556 2.576 -5.276 436 HB ILE 52 HB ILE 52 -8.687 0.451 -4.954 437 1HG1 ILE 52 HG12 ILE 52 -9.538 2.733 -4.675 438 2HG1 ILE 52 HG11 ILE 52 -9.495 1.907 -3.123 439 1HG2 ILE 52 HG21 ILE 52 -7.775 0.282 -2.617 440 2HG2 ILE 52 HG22 ILE 52 -6.398 1.249 -3.145 441 3HG2 ILE 52 HG23 ILE 52 -6.694 -0.335 -3.865 442 1HD1 ILE 52 HD11 ILE 52 -7.790 4.150 -4.134 443 2HD1 ILE 52 HD12 ILE 52 -7.109 3.048 -2.939 444 3HD1 ILE 52 HD13 ILE 52 -8.570 3.960 -2.569 445 H ARG 53 HN ARG 53 -7.741 -0.260 -7.115 446 HA ARG 53 HA ARG 53 -5.323 -1.782 -6.697 447 1HB ARG 53 HB2 ARG 53 -7.061 -2.209 -9.110 448 2HB ARG 53 HB1 ARG 53 -6.336 -3.408 -8.036 449 1HG ARG 53 HG2 ARG 53 -7.913 -2.350 -6.233 450 2HG ARG 53 HG1 ARG 53 -8.807 -1.739 -7.621 451 1HD ARG 53 HD2 ARG 53 -8.519 -4.531 -6.620 452 2HD ARG 53 HD1 ARG 53 -9.905 -3.743 -7.357 453 HE ARG 53 HE ARG 53 -8.005 -5.436 -8.668 454 1HH1 ARG 53 HH21 ARG 53 -9.543 -2.378 -9.113 455 2HH1 ARG 53 HH22 ARG 53 -9.395 -2.420 -10.837 456 1HH2 ARG 53 HH11 ARG 53 -7.814 -5.504 -10.896 457 2HH2 ARG 53 HH12 ARG 53 -8.420 -4.188 -11.846 458 H HIS 54 HN HIS 54 -6.447 0.272 -9.397 459 HA HIS 54 HA HIS 54 -4.282 -0.304 -11.142 460 1HB HIS 54 HB2 HIS 54 -6.534 1.379 -11.176 461 2HB HIS 54 HB1 HIS 54 -5.184 2.494 -11.324 462 HD1 HIS 54 HD1 HIS 54 -7.311 1.477 -13.607 463 HD2 HIS 54 HD2 HIS 54 -3.293 0.433 -13.234 464 HE1 HIS 54 HE1 HIS 54 -6.554 0.713 -15.899 465 H ASN 55 HN ASN 55 -4.622 2.216 -8.643 466 HA ASN 55 HA ASN 55 -2.111 3.469 -9.096 467 1HB ASN 55 HB2 ASN 55 -3.755 3.140 -6.571 468 2HB ASN 55 HB1 ASN 55 -2.307 4.144 -6.660 469 1HD2 ASN 55 HD21 ASN 55 -5.175 4.996 -6.265 470 2HD2 ASN 55 HD22 ASN 55 -5.496 6.088 -7.523 471 H LEU 56 HN LEU 56 -2.985 0.645 -7.099 472 HA LEU 56 HA LEU 56 -0.439 0.307 -5.883 473 1HB LEU 56 HB2 LEU 56 -2.579 -1.707 -6.561 474 2HB LEU 56 HB1 LEU 56 -1.123 -2.123 -5.661 475 HG LEU 56 HG LEU 56 -3.062 0.063 -4.838 476 1HD1 LEU 56 HD11 LEU 56 -4.065 -2.238 -4.801 477 2HD1 LEU 56 HD12 LEU 56 -3.937 -1.502 -3.203 478 3HD1 LEU 56 HD13 LEU 56 -2.778 -2.733 -3.703 479 1HD2 LEU 56 HD21 LEU 56 -1.087 0.581 -3.709 480 2HD2 LEU 56 HD22 LEU 56 -0.539 -1.094 -3.670 481 3HD2 LEU 56 HD23 LEU 56 -1.801 -0.552 -2.569 482 H SER 57 HN SER 57 -1.704 -0.958 -8.954 483 HA SER 57 HA SER 57 0.606 -2.551 -9.550 484 1HB SER 57 HB2 SER 57 -0.272 -2.498 -11.887 485 2HB SER 57 HB1 SER 57 -1.498 -2.928 -10.697 486 HG SER 57 HG SER 57 -1.848 -1.152 -12.410 487 H LEU 58 HN LEU 58 -0.274 0.779 -10.575 488 HA LEU 58 HA LEU 58 2.160 1.124 -12.091 489 1HB LEU 58 HB2 LEU 58 0.049 3.006 -11.050 490 2HB LEU 58 HB1 LEU 58 1.529 3.648 -11.758 491 HG LEU 58 HG LEU 58 1.042 2.177 -13.793 492 1HD1 LEU 58 HD11 LEU 58 -0.577 0.655 -12.749 493 2HD1 LEU 58 HD12 LEU 58 -1.341 1.530 -14.072 494 3HD1 LEU 58 HD13 LEU 58 -1.650 2.011 -12.405 495 1HD2 LEU 58 HD21 LEU 58 -0.951 4.340 -13.053 496 2HD2 LEU 58 HD22 LEU 58 -0.600 3.788 -14.691 497 3HD2 LEU 58 HD23 LEU 58 0.645 4.612 -13.753 498 H ASN 59 HN ASN 59 1.232 1.971 -8.761 499 HA ASN 59 HA ASN 59 3.772 3.308 -8.248 500 1HB ASN 59 HB2 ASN 59 1.645 2.295 -6.335 501 2HB ASN 59 HB1 ASN 59 2.993 3.345 -5.897 502 1HD2 ASN 59 HD21 ASN 59 -0.238 3.489 -6.636 503 2HD2 ASN 59 HD22 ASN 59 -0.312 5.054 -7.287 504 H GLU 60 HN GLU 60 5.637 2.214 -8.004 505 HA GLU 60 HA GLU 60 5.588 -0.658 -7.312 506 1HB GLU 60 HB2 GLU 60 7.876 1.179 -8.067 507 2HB GLU 60 HB1 GLU 60 7.983 -0.573 -7.881 508 1HG GLU 60 HG2 GLU 60 6.305 -0.870 -9.666 509 2HG GLU 60 HG1 GLU 60 6.196 0.880 -9.858 510 H CYS 61 HN CYS 61 5.662 2.195 -5.591 511 HA CYS 61 HA CYS 61 7.709 1.719 -3.656 512 1HB CYS 61 HB2 CYS 61 6.296 3.169 -2.162 513 2HB CYS 61 HB1 CYS 61 6.612 3.881 -3.744 514 HG CYS 61 HG CYS 61 4.178 3.047 -4.465 515 H PHE 62 HN PHE 62 4.447 0.471 -4.022 516 HA PHE 62 HA PHE 62 4.413 -0.800 -1.394 517 1HB PHE 62 HB2 PHE 62 2.643 -1.225 -3.823 518 2HB PHE 62 HB1 PHE 62 2.323 -1.841 -2.200 519 HD1 PHE 62 HD1 PHE 62 2.427 1.151 -4.336 520 HD2 PHE 62 HD2 PHE 62 1.728 -0.327 -0.365 521 HE1 PHE 62 HE1 PHE 62 1.406 3.323 -3.706 522 HE2 PHE 62 HE2 PHE 62 0.705 1.843 0.264 523 HZ PHE 62 HZ PHE 62 0.544 3.668 -1.407 524 H VAL 63 HN VAL 63 4.617 -3.066 -1.018 525 HA VAL 63 HA VAL 63 6.174 -4.529 -3.124 526 HB VAL 63 HB VAL 63 6.056 -4.976 -0.125 527 1HG1 VAL 63 HG11 VAL 63 8.042 -6.428 -0.596 528 2HG1 VAL 63 HG12 VAL 63 7.756 -6.195 -2.320 529 3HG1 VAL 63 HG13 VAL 63 6.556 -7.029 -1.334 530 1HG2 VAL 63 HG21 VAL 63 8.254 -3.958 -0.053 531 2HG2 VAL 63 HG22 VAL 63 7.163 -2.837 -0.867 532 3HG2 VAL 63 HG23 VAL 63 8.293 -3.809 -1.810 533 H LYS 64 HN LYS 64 5.069 -6.135 -4.108 534 HA LYS 64 HA LYS 64 2.481 -7.008 -3.068 535 1HB LYS 64 HB2 LYS 64 2.951 -6.690 -5.503 536 2HB LYS 64 HB1 LYS 64 4.058 -8.060 -5.435 537 1HG LYS 64 HG2 LYS 64 2.177 -9.493 -4.629 538 2HG LYS 64 HG1 LYS 64 1.086 -8.123 -4.825 539 1HD LYS 64 HD2 LYS 64 2.793 -9.074 -7.124 540 2HD LYS 64 HD1 LYS 64 1.259 -9.858 -6.759 541 1HE LYS 64 HE2 LYS 64 0.144 -7.613 -6.902 542 2HE LYS 64 HE1 LYS 64 1.682 -6.931 -7.434 543 1HZ LYS 64 HZ1 LYS 64 -0.234 -8.179 -8.991 544 2HZ LYS 64 HZ2 LYS 64 1.079 -9.254 -8.922 545 3HZ LYS 64 HZ3 LYS 64 1.308 -7.663 -9.473 546 H VAL 65 HN VAL 65 2.451 -8.456 -1.425 547 HA VAL 65 HA VAL 65 4.514 -10.614 -1.327 548 HB VAL 65 HB VAL 65 2.560 -9.613 0.765 549 1HG1 VAL 65 HG11 VAL 65 4.600 -11.847 0.781 550 2HG1 VAL 65 HG12 VAL 65 2.881 -11.950 1.162 551 3HG1 VAL 65 HG13 VAL 65 3.979 -11.119 2.262 552 1HG2 VAL 65 HG21 VAL 65 4.559 -8.776 1.887 553 2HG2 VAL 65 HG22 VAL 65 4.495 -8.119 0.251 554 3HG2 VAL 65 HG23 VAL 65 5.586 -9.454 0.622 555 HA PRO 66 HA PRO 66 0.889 -12.955 -2.805 556 1HB PRO 66 HB2 PRO 66 2.151 -15.184 -3.664 557 2HB PRO 66 HB1 PRO 66 2.264 -13.650 -4.549 558 1HG PRO 66 HG2 PRO 66 4.227 -14.897 -2.676 559 2HG PRO 66 HG1 PRO 66 4.514 -14.078 -4.221 560 1HD PRO 66 HD2 PRO 66 4.837 -12.864 -1.753 561 2HD PRO 66 HD1 PRO 66 4.495 -11.974 -3.254 562 H ARG 67 HN ARG 67 -0.431 -14.497 -1.840 563 HA ARG 67 HA ARG 67 0.271 -15.406 0.820 564 1HB ARG 67 HB2 ARG 67 -1.919 -16.517 0.783 565 2HB ARG 67 HB1 ARG 67 -2.065 -14.877 0.149 566 1HG ARG 67 HG2 ARG 67 -1.828 -15.825 -2.169 567 2HG ARG 67 HG1 ARG 67 -1.905 -17.439 -1.461 568 1HD ARG 67 HD2 ARG 67 -4.114 -17.007 -0.566 569 2HD ARG 67 HD1 ARG 67 -4.042 -15.324 -1.096 570 HE ARG 67 HE ARG 67 -3.670 -16.727 -3.438 571 1HH1 ARG 67 HH21 ARG 67 -5.949 -16.834 -0.855 572 2HH1 ARG 67 HH22 ARG 67 -7.270 -17.316 -1.867 573 1HH2 ARG 67 HH11 ARG 67 -5.378 -17.351 -4.772 574 2HH2 ARG 67 HH12 ARG 67 -6.948 -17.608 -4.085 575 H ASP 68 HN ASP 68 0.871 -17.491 1.461 576 HA ASP 68 HA ASP 68 2.037 -19.181 -0.640 577 1HB ASP 68 HB2 ASP 68 1.936 -19.405 2.380 578 2HB ASP 68 HB1 ASP 68 2.734 -20.588 1.345 579 H ASP 69 HN ASP 69 1.363 -21.351 -1.075 580 HA ASP 69 HA ASP 69 -1.444 -21.812 -1.073 581 1HB ASP 69 HB2 ASP 69 0.890 -23.717 -1.388 582 2HB ASP 69 HB1 ASP 69 -0.791 -24.198 -1.624 583 H LYS 70 HN LYS 70 1.095 -22.928 1.150 584 HA LYS 70 HA LYS 70 -0.594 -24.657 2.694 585 1HB LYS 70 HB2 LYS 70 1.947 -23.163 3.400 586 2HB LYS 70 HB1 LYS 70 1.166 -24.317 4.484 587 1HG LYS 70 HG2 LYS 70 1.356 -26.072 2.759 588 2HG LYS 70 HG1 LYS 70 2.141 -24.924 1.676 589 1HD LYS 70 HD2 LYS 70 3.974 -24.634 3.306 590 2HD LYS 70 HD1 LYS 70 3.190 -25.789 4.386 591 1HE LYS 70 HE2 LYS 70 4.978 -26.862 3.041 592 2HE LYS 70 HE1 LYS 70 3.393 -27.551 2.693 593 1HZ LYS 70 HZ1 LYS 70 5.015 -26.770 0.789 594 2HZ LYS 70 HZ2 LYS 70 4.264 -25.274 1.083 595 3HZ LYS 70 HZ3 LYS 70 3.331 -26.623 0.639 596 H LYS 71 HN LYS 71 -0.178 -21.197 2.623 597 HA LYS 71 HA LYS 71 -1.994 -20.920 4.992 598 1HB LYS 71 HB2 LYS 71 0.114 -19.932 5.516 599 2HB LYS 71 HB1 LYS 71 0.229 -19.166 3.934 600 1HG LYS 71 HG2 LYS 71 -1.387 -17.550 4.448 601 2HG LYS 71 HG1 LYS 71 -2.075 -18.510 5.756 602 1HD LYS 71 HD2 LYS 71 -0.006 -18.160 7.077 603 2HD LYS 71 HD1 LYS 71 0.649 -17.173 5.770 604 1HE LYS 71 HE2 LYS 71 -0.378 -15.793 7.572 605 2HE LYS 71 HE1 LYS 71 -1.179 -15.571 6.017 606 1HZ LYS 71 HZ1 LYS 71 -2.145 -17.591 7.935 607 2HZ LYS 71 HZ2 LYS 71 -2.986 -16.832 6.670 608 3HZ LYS 71 HZ3 LYS 71 -2.613 -15.968 8.085 609 HA PRO 72 HA PRO 72 -4.424 -19.560 1.277 610 1HB PRO 72 HB2 PRO 72 -6.629 -19.989 3.249 611 2HB PRO 72 HB1 PRO 72 -6.492 -20.559 1.575 612 1HG PRO 72 HG2 PRO 72 -6.186 -22.230 3.625 613 2HG PRO 72 HG1 PRO 72 -5.193 -22.379 2.163 614 1HD PRO 72 HD2 PRO 72 -4.443 -21.228 4.837 615 2HD PRO 72 HD1 PRO 72 -3.473 -22.223 3.726 616 H GLY 73 HN GLY 73 -5.090 -17.429 0.924 617 1HA GLY 73 HA2 GLY 73 -5.863 -15.750 3.245 618 2HA GLY 73 HA1 GLY 73 -4.431 -15.254 2.341 619 H LYS 74 HN LYS 74 -6.193 -13.367 2.223 620 HA LYS 74 HA LYS 74 -8.031 -13.794 -0.080 621 1HB LYS 74 HB2 LYS 74 -7.674 -11.521 1.885 622 2HB LYS 74 HB1 LYS 74 -8.784 -11.455 0.516 623 1HG LYS 74 HG2 LYS 74 -9.765 -13.662 1.444 624 2HG LYS 74 HG1 LYS 74 -8.879 -13.280 2.918 625 1HD LYS 74 HD2 LYS 74 -10.896 -12.237 3.395 626 2HD LYS 74 HD1 LYS 74 -10.048 -10.905 2.614 627 1HE LYS 74 HE2 LYS 74 -12.041 -10.859 1.426 628 2HE LYS 74 HE1 LYS 74 -11.128 -11.977 0.415 629 1HZ LYS 74 HZ1 LYS 74 -12.817 -13.362 0.766 630 2HZ LYS 74 HZ2 LYS 74 -13.427 -12.455 2.067 631 3HZ LYS 74 HZ3 LYS 74 -12.182 -13.583 2.323 632 H GLY 75 HN GLY 75 -7.709 -12.823 -2.032 633 1HA GLY 75 HA2 GLY 75 -6.366 -11.972 -3.784 634 2HA GLY 75 HA1 GLY 75 -6.325 -10.548 -2.742 635 H SER 76 HN SER 76 -4.274 -9.868 -2.519 636 HA SER 76 HA SER 76 -2.131 -11.884 -1.938 637 1HB SER 76 HB2 SER 76 -0.568 -10.535 -3.263 638 2HB SER 76 HB1 SER 76 -1.926 -11.031 -4.270 639 HG SER 76 HG SER 76 -2.748 -8.838 -3.268 640 H TYR 77 HN TYR 77 -0.813 -11.296 -0.211 641 HA TYR 77 HA TYR 77 -1.716 -9.180 1.524 642 1HB TYR 77 HB2 TYR 77 0.769 -10.910 1.495 643 2HB TYR 77 HB1 TYR 77 0.476 -9.700 2.746 644 HD1 TYR 77 HD1 TYR 77 -1.278 -9.995 4.398 645 HD2 TYR 77 HD2 TYR 77 -0.711 -12.872 1.261 646 HE1 TYR 77 HE1 TYR 77 -2.798 -11.568 5.566 647 HE2 TYR 77 HE2 TYR 77 -2.223 -14.450 2.439 648 HH TYR 77 HH TYR 77 -4.228 -14.108 4.195 649 H TRP 78 HN TRP 78 -0.982 -7.085 1.720 650 HA TRP 78 HA TRP 78 1.154 -6.188 -0.199 651 1HB TRP 78 HB2 TRP 78 -1.367 -4.795 0.747 652 2HB TRP 78 HB1 TRP 78 -0.079 -3.987 -0.144 653 HD1 TRP 78 HD1 TRP 78 -2.940 -6.421 -0.549 654 HE1 TRP 78 HE1 TRP 78 -3.288 -6.923 -3.052 655 HE3 TRP 78 HE3 TRP 78 1.218 -4.173 -2.481 656 HZ2 TRP 78 HZ2 TRP 78 -1.974 -6.431 -5.549 657 HZ3 TRP 78 HZ3 TRP 78 1.644 -4.205 -4.922 658 HH2 TRP 78 HH2 TRP 78 0.056 -5.322 -6.454 659 H THR 79 HN THR 79 2.769 -4.879 0.639 660 HA THR 79 HA THR 79 2.455 -3.668 3.309 661 HB THR 79 HB THR 79 3.233 -6.014 3.728 662 HG1 THR 79 HG1 THR 79 4.370 -3.695 4.513 663 1HG2 THR 79 HG21 THR 79 4.612 -6.003 1.535 664 2HG2 THR 79 HG22 THR 79 5.320 -6.788 2.947 665 3HG2 THR 79 HG23 THR 79 5.845 -5.170 2.483 666 H LEU 80 HN LEU 80 4.089 -2.082 3.737 667 HA LEU 80 HA LEU 80 5.194 -0.828 1.347 668 1HB LEU 80 HB2 LEU 80 5.730 -0.199 4.268 669 2HB LEU 80 HB1 LEU 80 6.025 0.866 2.894 670 HG LEU 80 HG LEU 80 3.311 -0.155 3.784 671 1HD1 LEU 80 HD11 LEU 80 4.540 2.618 3.915 672 2HD1 LEU 80 HD12 LEU 80 4.319 1.539 5.293 673 3HD1 LEU 80 HD13 LEU 80 2.915 2.179 4.440 674 1HD2 LEU 80 HD21 LEU 80 4.248 1.515 1.449 675 2HD2 LEU 80 HD22 LEU 80 2.627 1.737 2.105 676 3HD2 LEU 80 HD23 LEU 80 3.107 0.172 1.459 677 H ASP 81 HN ASP 81 7.583 -0.112 3.250 678 HA ASP 81 HA ASP 81 9.187 -2.607 2.933 679 1HB ASP 81 HB2 ASP 81 9.592 -1.212 0.917 680 2HB ASP 81 HB1 ASP 81 10.059 0.133 1.957 681 HA PRO 82 HA PRO 82 9.838 -0.291 6.931 682 1HB PRO 82 HB2 PRO 82 9.115 -2.784 8.310 683 2HB PRO 82 HB1 PRO 82 8.331 -1.201 8.398 684 1HG PRO 82 HG2 PRO 82 7.191 -3.368 7.226 685 2HG PRO 82 HG1 PRO 82 6.852 -1.702 6.724 686 1HD PRO 82 HD2 PRO 82 8.700 -3.709 5.451 687 2HD PRO 82 HD1 PRO 82 7.557 -2.582 4.686 688 H ASP 83 HN ASP 83 10.715 -2.265 8.980 689 HA ASP 83 HA ASP 83 13.523 -2.390 8.282 690 1HB ASP 83 HB2 ASP 83 13.699 -3.607 10.481 691 2HB ASP 83 HB1 ASP 83 12.890 -2.044 10.607 692 H SER 84 HN SER 84 13.060 -3.641 6.288 693 HA SER 84 HA SER 84 12.004 -6.213 6.112 694 1HB SER 84 HB2 SER 84 13.051 -6.294 4.037 695 2HB SER 84 HB1 SER 84 13.090 -4.562 4.373 696 HG SER 84 HG SER 84 15.132 -6.323 4.106 697 H TYR 85 HN TYR 85 14.613 -5.297 8.051 698 HA TYR 85 HA TYR 85 16.309 -7.588 7.861 699 1HB TYR 85 HB2 TYR 85 16.964 -5.566 9.106 700 2HB TYR 85 HB1 TYR 85 15.693 -5.879 10.291 701 HD1 TYR 85 HD1 TYR 85 18.959 -6.991 8.987 702 HD2 TYR 85 HD2 TYR 85 15.868 -7.722 11.879 703 HE1 TYR 85 HE1 TYR 85 20.480 -8.503 10.234 704 HE2 TYR 85 HE2 TYR 85 17.386 -9.236 13.122 705 HH TYR 85 HH TYR 85 19.355 -10.543 12.789 706 H ASN 86 HN ASN 86 13.330 -6.997 9.684 707 HA ASN 86 HA ASN 86 13.444 -9.440 11.189 708 1HB ASN 86 HB2 ASN 86 11.161 -7.582 10.505 709 2HB ASN 86 HB1 ASN 86 10.979 -8.981 11.563 710 1HD2 ASN 86 HD21 ASN 86 13.339 -8.908 13.061 711 2HD2 ASN 86 HD22 ASN 86 13.413 -7.464 13.949 712 H MET 87 HN MET 87 12.615 -8.783 7.951 713 HA MET 87 HA MET 87 10.705 -10.847 7.500 714 1HB MET 87 HB2 MET 87 12.743 -9.589 5.651 715 2HB MET 87 HB1 MET 87 11.563 -10.775 5.102 716 1HG MET 87 HG2 MET 87 9.727 -9.361 5.812 717 2HG MET 87 HG1 MET 87 10.845 -8.199 6.525 718 1HE MET 87 HE1 MET 87 9.117 -6.562 3.475 719 2HE MET 87 HE2 MET 87 10.042 -5.940 4.840 720 3HE MET 87 HE3 MET 87 8.842 -7.203 5.100 721 H PHE 88 HN PHE 88 12.102 -12.428 5.437 722 HA PHE 88 HA PHE 88 13.119 -14.494 7.155 723 1HB PHE 88 HB2 PHE 88 13.365 -14.235 4.143 724 2HB PHE 88 HB1 PHE 88 13.522 -15.718 5.088 725 HD1 PHE 88 HD1 PHE 88 11.207 -13.285 3.653 726 HD2 PHE 88 HD2 PHE 88 11.549 -16.681 6.262 727 HE1 PHE 88 HE1 PHE 88 8.751 -13.608 3.552 728 HE2 PHE 88 HE2 PHE 88 9.092 -17.006 6.157 729 HZ PHE 88 HZ PHE 88 7.693 -15.470 4.804 730 H GLU 89 HN GLU 89 15.273 -15.276 5.319 731 HA GLU 89 HA GLU 89 17.415 -13.441 6.333 732 1HB GLU 89 HB2 GLU 89 17.455 -16.386 5.626 733 2HB GLU 89 HB1 GLU 89 18.905 -15.450 5.987 734 1HG GLU 89 HG2 GLU 89 16.543 -15.640 7.870 735 2HG GLU 89 HG1 GLU 89 17.944 -16.708 7.962 736 H ASN 90 HN ASN 90 15.735 -13.575 3.685 737 HA ASN 90 HA ASN 90 18.020 -12.850 1.963 738 1HB ASN 90 HB2 ASN 90 17.674 -15.343 1.697 739 2HB ASN 90 HB1 ASN 90 16.067 -14.984 1.064 740 1HD2 ASN 90 HD21 ASN 90 19.530 -14.160 0.483 741 2HD2 ASN 90 HD22 ASN 90 19.352 -13.964 -1.194 742 H GLY 91 HN GLY 91 17.354 -11.594 0.131 743 1HA GLY 91 HA2 GLY 91 15.881 -10.254 -1.134 744 2HA GLY 91 HA1 GLY 91 14.529 -11.112 -0.391 745 H SER 92 HN SER 92 16.928 -9.745 1.698 746 HA SER 92 HA SER 92 14.923 -7.901 2.807 747 1HB SER 92 HB2 SER 92 16.393 -9.287 4.290 748 2HB SER 92 HB1 SER 92 17.786 -8.405 3.675 749 HG SER 92 HG SER 92 16.884 -6.509 4.501 750 H PHE 93 HN PHE 93 14.730 -6.119 1.554 751 HA PHE 93 HA PHE 93 16.744 -4.912 -0.041 752 1HB PHE 93 HB2 PHE 93 14.264 -4.435 -0.157 753 2HB PHE 93 HB1 PHE 93 14.442 -3.471 1.309 754 HD1 PHE 93 HD1 PHE 93 15.188 -3.685 -2.283 755 HD2 PHE 93 HD2 PHE 93 15.716 -1.370 1.298 756 HE1 PHE 93 HE1 PHE 93 15.942 -1.753 -3.643 757 HE2 PHE 93 HE2 PHE 93 16.469 0.562 -0.063 758 HZ PHE 93 HZ PHE 93 16.581 0.370 -2.534 759 H LEU 94 HN LEU 94 18.428 -3.583 0.473 760 HA LEU 94 HA LEU 94 18.702 -2.689 3.327 761 1HB LEU 94 HB2 LEU 94 20.819 -3.182 1.212 762 2HB LEU 94 HB1 LEU 94 21.133 -2.645 2.858 763 HG LEU 94 HG LEU 94 19.664 -5.217 2.220 764 1HD1 LEU 94 HD11 LEU 94 22.615 -4.801 2.795 765 2HD1 LEU 94 HD12 LEU 94 21.928 -5.299 1.249 766 3HD1 LEU 94 HD13 LEU 94 21.811 -6.364 2.651 767 1HD2 LEU 94 HD21 LEU 94 20.881 -3.985 4.703 768 2HD2 LEU 94 HD22 LEU 94 20.618 -5.723 4.586 769 3HD2 LEU 94 HD23 LEU 94 19.252 -4.620 4.477 Start of MODEL 22 1 1H MET 1 HT1 MET 1 -24.487 13.766 8.146 2 2H MET 1 HT2 MET 1 -23.475 14.317 9.394 3 3H MET 1 HT3 MET 1 -22.961 13.060 8.373 4 HA MET 1 HA MET 1 -23.598 15.169 6.700 5 1HB MET 1 HB2 MET 1 -22.016 15.978 9.156 6 2HB MET 1 HB1 MET 1 -21.996 16.884 7.642 7 1HG MET 1 HG2 MET 1 -24.441 17.165 7.772 8 2HG MET 1 HG1 MET 1 -24.466 16.257 9.283 9 1HE MET 1 HE1 MET 1 -21.686 19.132 8.190 10 2HE MET 1 HE2 MET 1 -22.866 20.421 8.402 11 3HE MET 1 HE3 MET 1 -23.212 19.096 7.295 12 H LEU 2 HN LEU 2 -22.492 13.988 5.168 13 HA LEU 2 HA LEU 2 -19.702 13.103 5.777 14 1HB LEU 2 HB2 LEU 2 -21.441 12.406 3.395 15 2HB LEU 2 HB1 LEU 2 -19.919 11.644 3.862 16 HG LEU 2 HG LEU 2 -22.496 11.611 5.462 17 1HD1 LEU 2 HD11 LEU 2 -22.403 9.167 4.989 18 2HD1 LEU 2 HD12 LEU 2 -21.010 9.447 3.945 19 3HD1 LEU 2 HD13 LEU 2 -22.578 10.133 3.523 20 1HD2 LEU 2 HD21 LEU 2 -19.687 10.694 6.062 21 2HD2 LEU 2 HD22 LEU 2 -21.059 9.840 6.767 22 3HD2 LEU 2 HD23 LEU 2 -20.822 11.554 7.103 23 H VAL 3 HN VAL 3 -17.984 13.906 4.633 24 HA VAL 3 HA VAL 3 -18.521 15.851 2.421 25 HB VAL 3 HB VAL 3 -16.689 17.284 3.380 26 1HG1 VAL 3 HG11 VAL 3 -18.984 16.895 5.315 27 2HG1 VAL 3 HG12 VAL 3 -19.173 17.675 3.745 28 3HG1 VAL 3 HG13 VAL 3 -18.115 18.389 4.962 29 1HG2 VAL 3 HG21 VAL 3 -16.035 16.940 5.707 30 2HG2 VAL 3 HG22 VAL 3 -15.687 15.476 4.788 31 3HG2 VAL 3 HG23 VAL 3 -17.107 15.545 5.832 32 H LYS 4 HN LYS 4 -16.851 15.946 0.860 33 HA LYS 4 HA LYS 4 -15.323 13.528 0.532 34 1HB LYS 4 HB2 LYS 4 -14.843 16.134 -0.923 35 2HB LYS 4 HB1 LYS 4 -14.589 14.492 -1.520 36 1HG LYS 4 HG2 LYS 4 -17.076 14.110 -1.253 37 2HG LYS 4 HG1 LYS 4 -17.238 15.834 -0.921 38 1HD LYS 4 HD2 LYS 4 -16.043 14.652 -3.446 39 2HD LYS 4 HD1 LYS 4 -17.672 15.311 -3.306 40 1HE LYS 4 HE2 LYS 4 -16.525 17.161 -4.133 41 2HE LYS 4 HE1 LYS 4 -16.388 17.452 -2.400 42 1HZ LYS 4 HZ1 LYS 4 -14.333 17.124 -4.234 43 2HZ LYS 4 HZ2 LYS 4 -14.315 15.739 -3.251 44 3HZ LYS 4 HZ3 LYS 4 -14.200 17.283 -2.551 45 HA PRO 5 HA PRO 5 -11.891 15.199 2.956 46 1HB PRO 5 HB2 PRO 5 -10.325 13.055 3.131 47 2HB PRO 5 HB1 PRO 5 -11.924 13.064 3.903 48 1HG PRO 5 HG2 PRO 5 -11.107 11.868 1.286 49 2HG PRO 5 HG1 PRO 5 -12.092 11.160 2.579 50 1HD PRO 5 HD2 PRO 5 -13.165 12.364 0.326 51 2HD PRO 5 HD1 PRO 5 -14.014 12.241 1.885 52 HA PRO 6 HA PRO 6 -8.928 16.251 -0.260 53 1HB PRO 6 HB2 PRO 6 -7.027 17.509 1.165 54 2HB PRO 6 HB1 PRO 6 -8.673 18.168 1.047 55 1HG PRO 6 HG2 PRO 6 -7.435 16.581 3.261 56 2HG PRO 6 HG1 PRO 6 -8.429 18.045 3.353 57 1HD PRO 6 HD2 PRO 6 -9.440 15.502 3.731 58 2HD PRO 6 HD1 PRO 6 -10.407 16.877 3.151 59 H TYR 7 HN TYR 7 -8.306 13.702 1.837 60 HA TYR 7 HA TYR 7 -5.474 13.378 1.574 61 1HB TYR 7 HB2 TYR 7 -7.537 11.163 1.745 62 2HB TYR 7 HB1 TYR 7 -5.833 11.049 2.175 63 HD1 TYR 7 HD1 TYR 7 -8.963 11.265 3.578 64 HD2 TYR 7 HD2 TYR 7 -5.121 13.172 3.844 65 HE1 TYR 7 HE1 TYR 7 -9.512 12.055 5.859 66 HE2 TYR 7 HE2 TYR 7 -5.668 13.951 6.130 67 HH TYR 7 HH TYR 7 -7.271 14.137 7.674 68 H SER 8 HN SER 8 -4.236 12.431 -0.035 69 HA SER 8 HA SER 8 -5.404 12.287 -2.694 70 1HB SER 8 HB2 SER 8 -2.658 11.537 -1.647 71 2HB SER 8 HB1 SER 8 -3.106 11.508 -3.350 72 HG SER 8 HG SER 8 -2.728 13.662 -1.614 73 H TYR 9 HN TYR 9 -5.150 10.271 -4.056 74 HA TYR 9 HA TYR 9 -6.466 8.047 -2.846 75 1HB TYR 9 HB2 TYR 9 -4.922 8.394 -5.420 76 2HB TYR 9 HB1 TYR 9 -5.581 6.824 -4.960 77 HD1 TYR 9 HD1 TYR 9 -6.292 9.792 -6.712 78 HD2 TYR 9 HD2 TYR 9 -8.114 6.933 -4.074 79 HE1 TYR 9 HE1 TYR 9 -8.537 10.483 -7.509 80 HE2 TYR 9 HE2 TYR 9 -10.351 7.616 -4.873 81 HH TYR 9 HH TYR 9 -10.915 9.243 -7.611 82 H ILE 10 HN ILE 10 -3.032 8.697 -3.482 83 HA ILE 10 HA ILE 10 -2.106 6.118 -2.548 84 HB ILE 10 HB ILE 10 -0.624 8.769 -2.581 85 1HG1 ILE 10 HG12 ILE 10 -1.412 8.353 -4.824 86 2HG1 ILE 10 HG11 ILE 10 0.290 7.906 -4.772 87 1HG2 ILE 10 HG21 ILE 10 0.574 7.170 -1.271 88 2HG2 ILE 10 HG22 ILE 10 1.354 7.187 -2.854 89 3HG2 ILE 10 HG23 ILE 10 0.250 5.879 -2.427 90 1HD1 ILE 10 HD11 ILE 10 -0.591 5.512 -4.240 91 2HD1 ILE 10 HD12 ILE 10 -0.699 6.099 -5.899 92 3HD1 ILE 10 HD13 ILE 10 -2.127 6.113 -4.868 93 H ALA 11 HN ALA 11 -2.576 9.289 -1.015 94 HA ALA 11 HA ALA 11 -1.411 8.656 1.503 95 1HB ALA 11 HB1 ALA 11 -3.799 10.469 1.010 96 2HB ALA 11 HB2 ALA 11 -2.121 10.953 0.764 97 3HB ALA 11 HB3 ALA 11 -2.690 10.535 2.380 98 H LEU 12 HN LEU 12 -4.755 8.206 0.326 99 HA LEU 12 HA LEU 12 -5.824 7.232 2.785 100 1HB LEU 12 HB2 LEU 12 -6.539 6.587 -0.091 101 2HB LEU 12 HB1 LEU 12 -7.487 6.041 1.291 102 HG LEU 12 HG LEU 12 -6.851 8.946 0.693 103 1HD1 LEU 12 HD11 LEU 12 -9.295 9.031 0.058 104 2HD1 LEU 12 HD12 LEU 12 -9.306 7.268 0.112 105 3HD1 LEU 12 HD13 LEU 12 -8.285 8.107 -1.055 106 1HD2 LEU 12 HD21 LEU 12 -7.356 8.951 2.958 107 2HD2 LEU 12 HD22 LEU 12 -8.370 7.513 2.855 108 3HD2 LEU 12 HD23 LEU 12 -8.983 9.069 2.301 109 H ILE 13 HN ILE 13 -4.201 5.571 0.093 110 HA ILE 13 HA ILE 13 -4.427 2.925 1.172 111 HB ILE 13 HB ILE 13 -2.352 4.157 -0.670 112 1HG1 ILE 13 HG12 ILE 13 -4.676 2.313 -1.293 113 2HG1 ILE 13 HG11 ILE 13 -4.776 4.067 -1.421 114 1HG2 ILE 13 HG21 ILE 13 -1.360 2.194 0.306 115 2HG2 ILE 13 HG22 ILE 13 -1.945 1.728 -1.290 116 3HG2 ILE 13 HG23 ILE 13 -2.864 1.285 0.149 117 1HD1 ILE 13 HD11 ILE 13 -3.321 4.156 -3.235 118 2HD1 ILE 13 HD12 ILE 13 -4.137 2.623 -3.537 119 3HD1 ILE 13 HD13 ILE 13 -2.529 2.636 -2.817 120 H THR 14 HN THR 14 -1.877 5.405 1.430 121 HA THR 14 HA THR 14 -0.090 3.883 3.029 122 HB THR 14 HB THR 14 -0.522 6.877 3.016 123 HG1 THR 14 HG1 THR 14 1.076 5.107 1.506 124 1HG2 THR 14 HG21 THR 14 0.786 6.469 4.922 125 2HG2 THR 14 HG22 THR 14 1.997 6.733 3.669 126 3HG2 THR 14 HG23 THR 14 1.606 5.092 4.184 127 H MET 15 HN MET 15 -2.829 5.960 3.944 128 HA MET 15 HA MET 15 -2.365 5.765 6.780 129 1HB MET 15 HB2 MET 15 -4.872 6.350 5.181 130 2HB MET 15 HB1 MET 15 -4.806 6.418 6.942 131 1HG MET 15 HG2 MET 15 -3.010 8.110 6.810 132 2HG MET 15 HG1 MET 15 -3.086 8.049 5.050 133 1HE MET 15 HE1 MET 15 -3.114 10.558 6.332 134 2HE MET 15 HE2 MET 15 -4.577 11.493 6.026 135 3HE MET 15 HE3 MET 15 -3.745 10.709 4.686 136 H ALA 16 HN ALA 16 -4.281 3.875 4.475 137 HA ALA 16 HA ALA 16 -5.595 2.181 6.340 138 1HB ALA 16 HB1 ALA 16 -5.627 0.546 4.380 139 2HB ALA 16 HB2 ALA 16 -4.689 1.746 3.489 140 3HB ALA 16 HB3 ALA 16 -6.311 2.140 4.057 141 H ILE 17 HN ILE 17 -2.500 1.688 4.606 142 HA ILE 17 HA ILE 17 -1.858 -0.822 5.798 143 HB ILE 17 HB ILE 17 0.031 1.395 4.919 144 1HG1 ILE 17 HG12 ILE 17 -0.920 -1.021 3.359 145 2HG1 ILE 17 HG11 ILE 17 -1.684 0.565 3.233 146 1HG2 ILE 17 HG21 ILE 17 1.520 -0.655 4.495 147 2HG2 ILE 17 HG22 ILE 17 0.381 -1.558 5.490 148 3HG2 ILE 17 HG23 ILE 17 1.276 -0.204 6.182 149 1HD1 ILE 17 HD11 ILE 17 1.240 -0.030 2.672 150 2HD1 ILE 17 HD12 ILE 17 0.474 1.555 2.554 151 3HD1 ILE 17 HD13 ILE 17 0.001 0.262 1.452 152 H GLN 18 HN GLN 18 -0.933 2.487 6.698 153 HA GLN 18 HA GLN 18 0.475 1.835 9.089 154 1HB GLN 18 HB2 GLN 18 -1.067 4.317 8.291 155 2HB GLN 18 HB1 GLN 18 -0.094 4.213 9.759 156 1HG GLN 18 HG2 GLN 18 1.896 3.675 8.402 157 2HG GLN 18 HG1 GLN 18 0.925 3.784 6.933 158 1HE2 GLN 18 HE21 GLN 18 -0.574 6.102 8.510 159 2HE2 GLN 18 HE22 GLN 18 0.426 7.440 8.216 160 H ASN 19 HN ASN 19 -2.960 2.493 8.492 161 HA ASN 19 HA ASN 19 -3.641 2.184 11.332 162 1HB ASN 19 HB2 ASN 19 -5.334 2.491 8.836 163 2HB ASN 19 HB1 ASN 19 -5.995 2.388 10.468 164 1HD2 ASN 19 HD21 ASN 19 -3.220 3.919 11.122 165 2HD2 ASN 19 HD22 ASN 19 -3.674 5.535 10.879 166 H ALA 20 HN ALA 20 -2.828 0.015 8.963 167 HA ALA 20 HA ALA 20 -4.899 -1.978 9.442 168 1HB ALA 20 HB1 ALA 20 -3.622 -1.912 7.319 169 2HB ALA 20 HB2 ALA 20 -3.448 -3.470 8.127 170 3HB ALA 20 HB3 ALA 20 -2.142 -2.289 8.207 171 HA PRO 21 HA PRO 21 -3.368 -3.289 13.504 172 1HB PRO 21 HB2 PRO 21 -4.114 -5.952 12.301 173 2HB PRO 21 HB1 PRO 21 -4.410 -5.344 13.945 174 1HG PRO 21 HG2 PRO 21 -6.340 -5.320 12.117 175 2HG PRO 21 HG1 PRO 21 -6.158 -3.989 13.275 176 1HD PRO 21 HD2 PRO 21 -5.583 -4.015 10.356 177 2HD PRO 21 HD1 PRO 21 -5.957 -2.640 11.417 178 H GLU 22 HN GLU 22 -2.396 -4.681 10.447 179 HA GLU 22 HA GLU 22 0.380 -4.941 11.442 180 1HB GLU 22 HB2 GLU 22 0.579 -7.198 10.359 181 2HB GLU 22 HB1 GLU 22 -0.477 -7.194 11.772 182 1HG GLU 22 HG2 GLU 22 -2.451 -7.115 10.366 183 2HG GLU 22 HG1 GLU 22 -1.464 -6.930 8.918 184 H LYS 23 HN LYS 23 1.909 -4.935 9.649 185 HA LYS 23 HA LYS 23 1.172 -3.178 7.542 186 1HB LYS 23 HB2 LYS 23 3.497 -5.118 7.744 187 2HB LYS 23 HB1 LYS 23 3.365 -3.857 6.520 188 1HG LYS 23 HG2 LYS 23 3.177 -3.188 9.458 189 2HG LYS 23 HG1 LYS 23 4.742 -3.350 8.669 190 1HD LYS 23 HD2 LYS 23 3.959 -1.654 6.961 191 2HD LYS 23 HD1 LYS 23 2.534 -1.393 7.968 192 1HE LYS 23 HE2 LYS 23 5.412 -0.772 8.578 193 2HE LYS 23 HE1 LYS 23 3.993 0.264 8.745 194 1HZ LYS 23 HZ1 LYS 23 4.922 -1.910 10.495 195 2HZ LYS 23 HZ2 LYS 23 3.267 -1.526 10.444 196 3HZ LYS 23 HZ3 LYS 23 4.402 -0.350 10.906 197 H LYS 24 HN LYS 24 1.338 -6.725 7.646 198 HA LYS 24 HA LYS 24 0.738 -6.973 4.799 199 1HB LYS 24 HB2 LYS 24 0.654 -9.012 7.047 200 2HB LYS 24 HB1 LYS 24 0.504 -9.399 5.332 201 1HG LYS 24 HG2 LYS 24 2.737 -8.436 4.918 202 2HG LYS 24 HG1 LYS 24 2.893 -8.059 6.635 203 1HD LYS 24 HD2 LYS 24 2.680 -10.455 7.183 204 2HD LYS 24 HD1 LYS 24 2.527 -10.835 5.468 205 1HE LYS 24 HE2 LYS 24 4.816 -11.217 5.959 206 2HE LYS 24 HE1 LYS 24 4.790 -9.634 5.182 207 1HZ LYS 24 HZ1 LYS 24 5.100 -10.280 8.045 208 2HZ LYS 24 HZ2 LYS 24 4.565 -8.745 7.552 209 3HZ LYS 24 HZ3 LYS 24 6.088 -9.315 7.061 210 H ILE 25 HN ILE 25 -1.245 -6.283 4.144 211 HA ILE 25 HA ILE 25 -3.648 -7.361 5.561 212 HB ILE 25 HB ILE 25 -3.377 -4.978 6.183 213 1HG1 ILE 25 HG12 ILE 25 -5.634 -5.356 4.196 214 2HG1 ILE 25 HG11 ILE 25 -5.633 -6.047 5.819 215 1HG2 ILE 25 HG21 ILE 25 -3.550 -3.239 4.461 216 2HG2 ILE 25 HG22 ILE 25 -3.613 -4.468 3.199 217 3HG2 ILE 25 HG23 ILE 25 -2.145 -4.257 4.155 218 1HD1 ILE 25 HD11 ILE 25 -5.318 -3.732 6.738 219 2HD1 ILE 25 HD12 ILE 25 -6.847 -3.948 5.888 220 3HD1 ILE 25 HD13 ILE 25 -5.513 -3.104 5.102 221 H THR 26 HN THR 26 -5.479 -7.670 4.143 222 HA THR 26 HA THR 26 -4.663 -8.401 1.432 223 HB THR 26 HB THR 26 -7.011 -9.193 1.226 224 HG1 THR 26 HG1 THR 26 -7.201 -7.664 3.529 225 1HG2 THR 26 HG21 THR 26 -5.406 -10.724 2.183 226 2HG2 THR 26 HG22 THR 26 -6.894 -10.849 3.120 227 3HG2 THR 26 HG23 THR 26 -5.525 -9.939 3.757 228 H LEU 27 HN LEU 27 -5.694 -7.599 -0.495 229 HA LEU 27 HA LEU 27 -5.902 -4.768 -0.656 230 1HB LEU 27 HB2 LEU 27 -5.348 -6.200 -2.574 231 2HB LEU 27 HB1 LEU 27 -6.943 -6.933 -2.513 232 HG LEU 27 HG LEU 27 -8.003 -4.858 -3.167 233 1HD1 LEU 27 HD11 LEU 27 -6.444 -2.886 -3.743 234 2HD1 LEU 27 HD12 LEU 27 -5.254 -3.693 -2.720 235 3HD1 LEU 27 HD13 LEU 27 -6.794 -3.163 -2.041 236 1HD2 LEU 27 HD21 LEU 27 -7.222 -6.088 -5.049 237 2HD2 LEU 27 HD22 LEU 27 -5.553 -5.587 -4.783 238 3HD2 LEU 27 HD23 LEU 27 -6.741 -4.419 -5.348 239 H ASN 28 HN ASN 28 -8.376 -7.307 -0.465 240 HA ASN 28 HA ASN 28 -10.670 -5.623 -0.646 241 1HB ASN 28 HB2 ASN 28 -10.193 -8.298 0.668 242 2HB ASN 28 HB1 ASN 28 -11.774 -7.517 0.689 243 1HD2 ASN 28 HD21 ASN 28 -12.107 -6.483 -1.806 244 2HD2 ASN 28 HD22 ASN 28 -11.967 -7.680 -3.002 245 H GLY 29 HN GLY 29 -8.699 -6.627 2.124 246 1HA GLY 29 HA2 GLY 29 -10.323 -5.537 4.183 247 2HA GLY 29 HA1 GLY 29 -8.584 -5.789 4.306 248 H ILE 30 HN ILE 30 -7.776 -4.012 2.212 249 HA ILE 30 HA ILE 30 -7.644 -1.572 3.657 250 HB ILE 30 HB ILE 30 -7.156 -2.176 0.729 251 1HG1 ILE 30 HG12 ILE 30 -5.255 -1.603 3.025 252 2HG1 ILE 30 HG11 ILE 30 -5.687 -3.225 2.487 253 1HG2 ILE 30 HG21 ILE 30 -7.642 0.177 0.819 254 2HG2 ILE 30 HG22 ILE 30 -5.886 0.038 0.807 255 3HG2 ILE 30 HG23 ILE 30 -6.733 0.371 2.317 256 1HD1 ILE 30 HD11 ILE 30 -4.359 -1.091 0.788 257 2HD1 ILE 30 HD12 ILE 30 -4.812 -2.702 0.230 258 3HD1 ILE 30 HD13 ILE 30 -3.565 -2.513 1.464 259 H TYR 31 HN TYR 31 -9.830 -2.537 0.997 260 HA TYR 31 HA TYR 31 -11.067 0.026 0.710 261 1HB TYR 31 HB2 TYR 31 -12.060 -2.775 0.153 262 2HB TYR 31 HB1 TYR 31 -13.048 -1.350 -0.169 263 HD1 TYR 31 HD1 TYR 31 -11.715 0.619 -1.428 264 HD2 TYR 31 HD2 TYR 31 -10.737 -3.555 -1.609 265 HE1 TYR 31 HE1 TYR 31 -10.513 0.993 -3.556 266 HE2 TYR 31 HE2 TYR 31 -9.535 -3.183 -3.740 267 HH TYR 31 HH TYR 31 -9.903 -1.002 -5.680 268 H GLN 32 HN GLN 32 -11.760 -2.682 2.891 269 HA GLN 32 HA GLN 32 -14.222 -1.737 3.925 270 1HB GLN 32 HB2 GLN 32 -13.277 -3.960 4.459 271 2HB GLN 32 HB1 GLN 32 -11.996 -3.189 5.393 272 1HG GLN 32 HG2 GLN 32 -13.615 -2.269 6.953 273 2HG GLN 32 HG1 GLN 32 -14.953 -2.880 5.980 274 1HE2 GLN 32 HE21 GLN 32 -14.565 -3.663 8.734 275 2HE2 GLN 32 HE22 GLN 32 -14.197 -5.320 8.757 276 H PHE 33 HN PHE 33 -10.881 -1.004 4.930 277 HA PHE 33 HA PHE 33 -11.546 0.708 7.105 278 1HB PHE 33 HB2 PHE 33 -9.254 -0.105 6.699 279 2HB PHE 33 HB1 PHE 33 -9.167 0.869 5.231 280 HD1 PHE 33 HD1 PHE 33 -9.222 0.943 8.916 281 HD2 PHE 33 HD2 PHE 33 -9.027 3.307 5.334 282 HE1 PHE 33 HE1 PHE 33 -8.531 2.914 10.253 283 HE2 PHE 33 HE2 PHE 33 -8.334 5.277 6.671 284 HZ PHE 33 HZ PHE 33 -8.087 5.080 9.131 285 H ILE 34 HN ILE 34 -10.940 1.506 3.664 286 HA ILE 34 HA ILE 34 -11.266 4.310 3.920 287 HB ILE 34 HB ILE 34 -11.789 2.446 1.593 288 1HG1 ILE 34 HG12 ILE 34 -9.542 4.413 2.111 289 2HG1 ILE 34 HG11 ILE 34 -9.456 2.706 2.544 290 1HG2 ILE 34 HG21 ILE 34 -11.600 4.577 0.217 291 2HG2 ILE 34 HG22 ILE 34 -11.809 5.476 1.718 292 3HG2 ILE 34 HG23 ILE 34 -13.097 4.421 1.134 293 1HD1 ILE 34 HD11 ILE 34 -9.735 3.898 -0.222 294 2HD1 ILE 34 HD12 ILE 34 -10.008 2.188 0.110 295 3HD1 ILE 34 HD13 ILE 34 -8.420 2.899 0.394 296 H MET 35 HN MET 35 -13.756 1.872 3.009 297 HA MET 35 HA MET 35 -15.842 3.843 2.868 298 1HB MET 35 HB2 MET 35 -15.911 0.842 3.232 299 2HB MET 35 HB1 MET 35 -17.375 1.821 3.116 300 1HG MET 35 HG2 MET 35 -16.600 2.702 0.932 301 2HG MET 35 HG1 MET 35 -15.166 1.685 1.037 302 1HE MET 35 HE1 MET 35 -15.444 -1.139 -0.110 303 2HE MET 35 HE2 MET 35 -16.382 -1.799 1.225 304 3HE MET 35 HE3 MET 35 -15.150 -0.584 1.542 305 H ASP 36 HN ASP 36 -14.705 1.739 5.509 306 HA ASP 36 HA ASP 36 -16.788 2.558 7.332 307 1HB ASP 36 HB2 ASP 36 -14.076 1.292 7.768 308 2HB ASP 36 HB1 ASP 36 -15.208 1.620 9.082 309 H ARG 37 HN ARG 37 -13.424 3.687 6.838 310 HA ARG 37 HA ARG 37 -13.575 5.589 9.003 311 1HB ARG 37 HB2 ARG 37 -11.502 4.608 7.608 312 2HB ARG 37 HB1 ARG 37 -11.725 6.098 6.698 313 1HG ARG 37 HG2 ARG 37 -11.292 5.868 9.692 314 2HG ARG 37 HG1 ARG 37 -10.123 6.460 8.514 315 1HD ARG 37 HD2 ARG 37 -11.949 8.202 7.895 316 2HD ARG 37 HD1 ARG 37 -12.686 7.750 9.433 317 HE ARG 37 HE ARG 37 -10.039 8.277 10.082 318 1HH1 ARG 37 HH21 ARG 37 -12.619 9.904 8.477 319 2HH1 ARG 37 HH22 ARG 37 -12.086 11.487 8.938 320 1HH2 ARG 37 HH11 ARG 37 -9.325 10.334 10.692 321 2HH2 ARG 37 HH12 ARG 37 -10.219 11.729 10.189 322 H PHE 38 HN PHE 38 -14.170 5.809 5.506 323 HA PHE 38 HA PHE 38 -15.461 8.479 5.978 324 1HB PHE 38 HB2 PHE 38 -13.976 7.661 3.460 325 2HB PHE 38 HB1 PHE 38 -14.671 9.238 3.824 326 HD1 PHE 38 HD1 PHE 38 -11.843 7.000 4.348 327 HD2 PHE 38 HD2 PHE 38 -13.696 10.655 5.634 328 HE1 PHE 38 HE1 PHE 38 -9.727 7.686 5.445 329 HE2 PHE 38 HE2 PHE 38 -11.581 11.341 6.731 330 HZ PHE 38 HZ PHE 38 -9.596 9.855 6.639 331 HA PRO 39 HA PRO 39 -18.570 5.299 4.473 332 1HB PRO 39 HB2 PRO 39 -20.185 7.521 5.695 333 2HB PRO 39 HB1 PRO 39 -20.448 5.767 5.774 334 1HG PRO 39 HG2 PRO 39 -19.399 7.050 7.834 335 2HG PRO 39 HG1 PRO 39 -18.777 5.459 7.354 336 1HD PRO 39 HD2 PRO 39 -17.543 8.159 6.959 337 2HD PRO 39 HD1 PRO 39 -16.753 6.589 7.235 338 H PHE 40 HN PHE 40 -17.684 8.454 3.634 339 HA PHE 40 HA PHE 40 -19.788 9.267 1.898 340 1HB PHE 40 HB2 PHE 40 -18.115 10.871 2.440 341 2HB PHE 40 HB1 PHE 40 -16.812 9.799 1.941 342 HD1 PHE 40 HD1 PHE 40 -19.834 11.560 0.584 343 HD2 PHE 40 HD2 PHE 40 -15.911 9.996 -0.218 344 HE1 PHE 40 HE1 PHE 40 -19.909 12.538 -1.693 345 HE2 PHE 40 HE2 PHE 40 -15.991 10.973 -2.496 346 HZ PHE 40 HZ PHE 40 -17.989 12.244 -3.234 347 H TYR 41 HN TYR 41 -16.991 7.165 1.372 348 HA TYR 41 HA TYR 41 -17.403 6.846 -1.458 349 1HB TYR 41 HB2 TYR 41 -15.883 5.216 0.588 350 2HB TYR 41 HB1 TYR 41 -15.842 4.887 -1.148 351 HD1 TYR 41 HD1 TYR 41 -14.593 6.278 -2.647 352 HD2 TYR 41 HD2 TYR 41 -15.133 7.454 1.438 353 HE1 TYR 41 HE1 TYR 41 -12.948 8.103 -2.965 354 HE2 TYR 41 HE2 TYR 41 -13.500 9.285 1.137 355 HH TYR 41 HH TYR 41 -11.321 9.454 -1.075 356 H ARG 42 HN ARG 42 -18.948 5.385 1.302 357 HA ARG 42 HA ARG 42 -19.760 2.922 0.105 358 1HB ARG 42 HB2 ARG 42 -21.093 4.679 2.178 359 2HB ARG 42 HB1 ARG 42 -21.779 3.142 1.662 360 1HG ARG 42 HG2 ARG 42 -19.703 1.987 2.334 361 2HG ARG 42 HG1 ARG 42 -19.023 3.526 2.867 362 1HD ARG 42 HD2 ARG 42 -20.854 3.781 4.496 363 2HD ARG 42 HD1 ARG 42 -21.557 2.259 3.954 364 HE ARG 42 HE ARG 42 -18.949 1.607 4.689 365 1HH1 ARG 42 HH21 ARG 42 -21.680 3.146 6.126 366 2HH1 ARG 42 HH22 ARG 42 -21.296 2.624 7.732 367 1HH2 ARG 42 HH11 ARG 42 -18.436 0.912 6.775 368 2HH2 ARG 42 HH12 ARG 42 -19.459 1.358 8.100 369 H GLU 43 HN GLU 43 -21.141 6.190 -0.036 370 HA GLU 43 HA GLU 43 -23.399 5.335 -1.660 371 1HB GLU 43 HB2 GLU 43 -22.289 8.081 -1.020 372 2HB GLU 43 HB1 GLU 43 -23.758 7.810 -1.955 373 1HG GLU 43 HG2 GLU 43 -24.515 8.156 0.267 374 2HG GLU 43 HG1 GLU 43 -24.580 6.409 0.037 375 H ASN 44 HN ASN 44 -20.159 5.857 -2.297 376 HA ASN 44 HA ASN 44 -20.712 6.168 -5.233 377 1HB ASN 44 HB2 ASN 44 -18.420 7.389 -3.667 378 2HB ASN 44 HB1 ASN 44 -18.638 7.490 -5.414 379 1HD2 ASN 44 HD21 ASN 44 -18.862 9.507 -2.960 380 2HD2 ASN 44 HD22 ASN 44 -20.280 10.364 -3.334 381 H LYS 45 HN LYS 45 -20.114 4.328 -6.221 382 HA LYS 45 HA LYS 45 -17.795 2.754 -5.151 383 1HB LYS 45 HB2 LYS 45 -20.123 1.946 -6.919 384 2HB LYS 45 HB1 LYS 45 -18.806 0.877 -6.439 385 1HG LYS 45 HG2 LYS 45 -19.407 1.199 -4.066 386 2HG LYS 45 HG1 LYS 45 -20.730 2.262 -4.548 387 1HD LYS 45 HD2 LYS 45 -21.758 0.412 -5.818 388 2HD LYS 45 HD1 LYS 45 -20.439 -0.654 -5.331 389 1HE LYS 45 HE2 LYS 45 -22.194 0.788 -3.333 390 2HE LYS 45 HE1 LYS 45 -22.557 -0.832 -3.929 391 1HZ LYS 45 HZ1 LYS 45 -21.269 -1.457 -2.222 392 2HZ LYS 45 HZ2 LYS 45 -20.493 0.050 -2.099 393 3HZ LYS 45 HZ3 LYS 45 -19.984 -1.079 -3.263 394 H GLN 46 HN GLN 46 -18.241 5.105 -7.228 395 HA GLN 46 HA GLN 46 -17.631 4.331 -9.811 396 1HB GLN 46 HB2 GLN 46 -16.608 6.727 -8.275 397 2HB GLN 46 HB1 GLN 46 -16.437 6.536 -10.021 398 1HG GLN 46 HG2 GLN 46 -19.099 6.407 -8.583 399 2HG GLN 46 HG1 GLN 46 -18.459 7.880 -9.313 400 1HE2 GLN 46 HE21 GLN 46 -20.742 5.761 -10.013 401 2HE2 GLN 46 HE22 GLN 46 -20.534 5.561 -11.686 402 H GLY 47 HN GLY 47 -15.428 4.920 -10.885 403 1HA GLY 47 HA2 GLY 47 -13.635 2.872 -10.601 404 2HA GLY 47 HA1 GLY 47 -13.149 4.458 -11.189 405 H TRP 48 HN TRP 48 -14.017 5.409 -8.272 406 HA TRP 48 HA TRP 48 -11.414 5.641 -7.226 407 1HB TRP 48 HB2 TRP 48 -12.379 6.457 -5.267 408 2HB TRP 48 HB1 TRP 48 -13.692 6.694 -6.413 409 HD1 TRP 48 HD1 TRP 48 -15.900 5.390 -6.016 410 HE1 TRP 48 HE1 TRP 48 -16.726 3.798 -4.170 411 HE3 TRP 48 HE3 TRP 48 -11.497 4.490 -3.574 412 HZ2 TRP 48 HZ2 TRP 48 -15.671 2.331 -1.952 413 HZ3 TRP 48 HZ3 TRP 48 -11.442 2.989 -1.605 414 HH2 TRP 48 HH2 TRP 48 -13.523 1.913 -0.791 415 H GLN 49 HN GLN 49 -13.508 2.939 -7.370 416 HA GLN 49 HA GLN 49 -12.102 1.400 -5.290 417 1HB GLN 49 HB2 GLN 49 -14.537 1.124 -5.675 418 2HB GLN 49 HB1 GLN 49 -14.212 0.590 -7.322 419 1HG GLN 49 HG2 GLN 49 -12.918 -1.327 -6.444 420 2HG GLN 49 HG1 GLN 49 -13.246 -0.790 -4.795 421 1HE2 GLN 49 HE21 GLN 49 -14.699 -2.258 -7.670 422 2HE2 GLN 49 HE22 GLN 49 -16.158 -2.702 -6.925 423 H ASN 50 HN ASN 50 -12.660 1.010 -8.805 424 HA ASN 50 HA ASN 50 -10.607 -0.998 -9.107 425 1HB ASN 50 HB2 ASN 50 -11.976 0.797 -11.137 426 2HB ASN 50 HB1 ASN 50 -10.918 -0.552 -11.552 427 1HD2 ASN 50 HD21 ASN 50 -13.731 -0.459 -12.269 428 2HD2 ASN 50 HD22 ASN 50 -14.514 -1.717 -11.441 429 H SER 51 HN SER 51 -10.674 2.524 -9.422 430 HA SER 51 HA SER 51 -8.178 2.874 -10.742 431 1HB SER 51 HB2 SER 51 -9.570 4.619 -8.688 432 2HB SER 51 HB1 SER 51 -8.176 5.129 -9.636 433 HG SER 51 HG SER 51 -9.458 5.445 -11.265 434 H ILE 52 HN ILE 52 -8.992 2.486 -7.320 435 HA ILE 52 HA ILE 52 -6.406 2.941 -6.223 436 HB ILE 52 HB ILE 52 -8.811 1.346 -5.376 437 1HG1 ILE 52 HG12 ILE 52 -8.786 3.851 -5.346 438 2HG1 ILE 52 HG11 ILE 52 -9.113 3.111 -3.785 439 1HG2 ILE 52 HG21 ILE 52 -7.618 1.230 -3.089 440 2HG2 ILE 52 HG22 ILE 52 -6.130 1.471 -4.006 441 3HG2 ILE 52 HG23 ILE 52 -7.143 0.061 -4.321 442 1HD1 ILE 52 HD11 ILE 52 -7.428 4.321 -2.927 443 2HD1 ILE 52 HD12 ILE 52 -7.026 4.943 -4.523 444 3HD1 ILE 52 HD13 ILE 52 -6.282 3.460 -3.950 445 H ARG 53 HN ARG 53 -7.950 -0.151 -7.225 446 HA ARG 53 HA ARG 53 -5.674 -1.784 -6.639 447 1HB ARG 53 HB2 ARG 53 -7.629 -2.293 -8.899 448 2HB ARG 53 HB1 ARG 53 -6.747 -3.484 -7.942 449 1HG ARG 53 HG2 ARG 53 -7.997 -2.546 -5.910 450 2HG ARG 53 HG1 ARG 53 -9.030 -1.718 -7.074 451 1HD ARG 53 HD2 ARG 53 -9.311 -4.063 -8.161 452 2HD ARG 53 HD1 ARG 53 -8.719 -4.672 -6.607 453 HE ARG 53 HE ARG 53 -10.723 -2.938 -5.869 454 1HH1 ARG 53 HH21 ARG 53 -10.408 -5.569 -8.071 455 2HH1 ARG 53 HH22 ARG 53 -12.068 -6.050 -7.945 456 1HH2 ARG 53 HH11 ARG 53 -12.896 -3.546 -5.693 457 2HH2 ARG 53 HH12 ARG 53 -13.477 -4.903 -6.599 458 H HIS 54 HN HIS 54 -6.687 -0.125 -9.632 459 HA HIS 54 HA HIS 54 -4.538 -1.035 -11.269 460 1HB HIS 54 HB2 HIS 54 -6.509 0.164 -12.174 461 2HB HIS 54 HB1 HIS 54 -5.979 1.636 -11.359 462 HD1 HIS 54 HD1 HIS 54 -4.084 -0.907 -13.492 463 HD2 HIS 54 HD2 HIS 54 -4.774 3.200 -13.288 464 HE1 HIS 54 HE1 HIS 54 -2.693 0.145 -15.327 465 H ASN 55 HN ASN 55 -4.830 1.745 -9.087 466 HA ASN 55 HA ASN 55 -2.282 2.902 -9.682 467 1HB ASN 55 HB2 ASN 55 -4.254 3.914 -8.356 468 2HB ASN 55 HB1 ASN 55 -3.619 3.024 -6.973 469 1HD2 ASN 55 HD21 ASN 55 -3.660 5.906 -7.064 470 2HD2 ASN 55 HD22 ASN 55 -2.053 6.453 -7.099 471 H LEU 56 HN LEU 56 -3.297 0.442 -7.307 472 HA LEU 56 HA LEU 56 -0.813 0.251 -5.948 473 1HB LEU 56 HB2 LEU 56 -2.983 -1.783 -6.428 474 2HB LEU 56 HB1 LEU 56 -1.565 -2.136 -5.444 475 HG LEU 56 HG LEU 56 -3.418 0.216 -4.952 476 1HD1 LEU 56 HD11 LEU 56 -3.308 -2.376 -3.394 477 2HD1 LEU 56 HD12 LEU 56 -4.479 -2.081 -4.677 478 3HD1 LEU 56 HD13 LEU 56 -4.481 -1.069 -3.234 479 1HD2 LEU 56 HD21 LEU 56 -2.244 -0.189 -2.585 480 2HD2 LEU 56 HD22 LEU 56 -1.461 0.781 -3.822 481 3HD2 LEU 56 HD23 LEU 56 -0.979 -0.897 -3.585 482 H SER 57 HN SER 57 -2.006 -1.574 -8.776 483 HA SER 57 HA SER 57 0.364 -3.140 -9.134 484 1HB SER 57 HB2 SER 57 -1.589 -2.128 -11.226 485 2HB SER 57 HB1 SER 57 -0.431 -3.436 -11.454 486 HG SER 57 HG SER 57 -2.772 -3.339 -9.912 487 H LEU 58 HN LEU 58 -0.621 0.028 -10.342 488 HA LEU 58 HA LEU 58 1.605 0.447 -12.080 489 1HB LEU 58 HB2 LEU 58 -0.685 1.724 -11.774 490 2HB LEU 58 HB1 LEU 58 0.238 2.714 -10.651 491 HG LEU 58 HG LEU 58 1.075 2.172 -13.512 492 1HD1 LEU 58 HD11 LEU 58 0.311 4.533 -13.896 493 2HD1 LEU 58 HD12 LEU 58 -0.406 4.512 -12.285 494 3HD1 LEU 58 HD13 LEU 58 -1.005 3.417 -13.529 495 1HD2 LEU 58 HD21 LEU 58 3.000 2.816 -12.290 496 2HD2 LEU 58 HD22 LEU 58 2.096 3.946 -11.283 497 3HD2 LEU 58 HD23 LEU 58 2.422 4.334 -12.972 498 H ASN 59 HN ASN 59 1.034 1.594 -8.722 499 HA ASN 59 HA ASN 59 3.671 2.761 -8.550 500 1HB ASN 59 HB2 ASN 59 1.579 2.040 -6.492 501 2HB ASN 59 HB1 ASN 59 3.165 2.647 -6.013 502 1HD2 ASN 59 HD21 ASN 59 0.975 4.255 -5.388 503 2HD2 ASN 59 HD22 ASN 59 0.946 5.615 -6.401 504 H GLU 60 HN GLU 60 5.480 1.645 -8.525 505 HA GLU 60 HA GLU 60 5.500 -1.213 -7.781 506 1HB GLU 60 HB2 GLU 60 7.674 0.621 -8.849 507 2HB GLU 60 HB1 GLU 60 7.787 -1.136 -8.701 508 1HG GLU 60 HG2 GLU 60 5.928 -1.428 -10.257 509 2HG GLU 60 HG1 GLU 60 5.692 0.318 -10.352 510 H CYS 61 HN CYS 61 5.754 1.676 -6.220 511 HA CYS 61 HA CYS 61 7.999 1.393 -4.500 512 1HB CYS 61 HB2 CYS 61 5.304 2.708 -4.039 513 2HB CYS 61 HB1 CYS 61 6.696 2.899 -2.970 514 HG CYS 61 HG CYS 61 7.294 4.752 -4.520 515 H PHE 62 HN PHE 62 4.689 0.141 -4.269 516 HA PHE 62 HA PHE 62 5.116 -1.041 -1.634 517 1HB PHE 62 HB2 PHE 62 2.959 -1.701 -3.659 518 2HB PHE 62 HB1 PHE 62 2.908 -1.976 -1.918 519 HD1 PHE 62 HD1 PHE 62 3.289 0.157 -0.419 520 HD2 PHE 62 HD2 PHE 62 2.011 0.269 -4.517 521 HE1 PHE 62 HE1 PHE 62 2.371 2.435 -0.070 522 HE2 PHE 62 HE2 PHE 62 1.094 2.547 -4.169 523 HZ PHE 62 HZ PHE 62 1.274 3.630 -1.947 524 H VAL 63 HN VAL 63 5.355 -3.298 -1.210 525 HA VAL 63 HA VAL 63 6.445 -4.898 -3.503 526 HB VAL 63 HB VAL 63 6.966 -5.143 -0.524 527 1HG1 VAL 63 HG11 VAL 63 7.124 -7.320 -1.537 528 2HG1 VAL 63 HG12 VAL 63 8.773 -6.722 -1.355 529 3HG1 VAL 63 HG13 VAL 63 7.987 -6.672 -2.933 530 1HG2 VAL 63 HG21 VAL 63 8.022 -3.161 -1.554 531 2HG2 VAL 63 HG22 VAL 63 8.719 -4.184 -2.810 532 3HG2 VAL 63 HG23 VAL 63 9.236 -4.369 -1.134 533 H LYS 64 HN LYS 64 5.240 -6.624 -4.113 534 HA LYS 64 HA LYS 64 2.803 -7.333 -2.712 535 1HB LYS 64 HB2 LYS 64 4.226 -9.066 -4.761 536 2HB LYS 64 HB1 LYS 64 2.502 -8.999 -4.411 537 1HG LYS 64 HG2 LYS 64 3.924 -6.542 -5.423 538 2HG LYS 64 HG1 LYS 64 3.435 -7.796 -6.547 539 1HD LYS 64 HD2 LYS 64 1.341 -6.931 -4.606 540 2HD LYS 64 HD1 LYS 64 1.820 -5.736 -5.807 541 1HE LYS 64 HE2 LYS 64 -0.086 -7.153 -6.568 542 2HE LYS 64 HE1 LYS 64 1.322 -7.277 -7.621 543 1HZ LYS 64 HZ1 LYS 64 0.401 -9.213 -5.578 544 2HZ LYS 64 HZ2 LYS 64 1.955 -9.277 -6.263 545 3HZ LYS 64 HZ3 LYS 64 0.581 -9.461 -7.247 546 H VAL 65 HN VAL 65 2.489 -9.058 -1.270 547 HA VAL 65 HA VAL 65 4.831 -10.829 -0.679 548 HB VAL 65 HB VAL 65 3.854 -10.567 1.813 549 1HG1 VAL 65 HG11 VAL 65 6.167 -10.116 1.301 550 2HG1 VAL 65 HG12 VAL 65 5.536 -8.702 2.145 551 3HG1 VAL 65 HG13 VAL 65 5.741 -8.664 0.395 552 1HG2 VAL 65 HG21 VAL 65 3.082 -8.329 2.264 553 2HG2 VAL 65 HG22 VAL 65 2.079 -8.993 0.976 554 3HG2 VAL 65 HG23 VAL 65 3.357 -7.840 0.592 555 HA PRO 66 HA PRO 66 0.901 -13.204 -1.520 556 1HB PRO 66 HB2 PRO 66 3.048 -15.134 -2.331 557 2HB PRO 66 HB1 PRO 66 1.526 -14.733 -3.150 558 1HG PRO 66 HG2 PRO 66 3.841 -13.813 -4.065 559 2HG PRO 66 HG1 PRO 66 2.387 -12.799 -4.087 560 1HD PRO 66 HD2 PRO 66 4.736 -12.680 -2.221 561 2HD PRO 66 HD1 PRO 66 3.761 -11.350 -2.889 562 H ARG 67 HN ARG 67 0.375 -15.453 -0.624 563 HA ARG 67 HA ARG 67 1.469 -15.662 2.098 564 1HB ARG 67 HB2 ARG 67 -0.506 -17.521 0.755 565 2HB ARG 67 HB1 ARG 67 -0.246 -17.292 2.483 566 1HG ARG 67 HG2 ARG 67 -0.966 -14.890 2.179 567 2HG ARG 67 HG1 ARG 67 -1.444 -15.313 0.533 568 1HD ARG 67 HD2 ARG 67 -2.556 -16.378 3.130 569 2HD ARG 67 HD1 ARG 67 -3.427 -15.591 1.811 570 HE ARG 67 HE ARG 67 -2.348 -17.856 0.642 571 1HH1 ARG 67 HH21 ARG 67 -4.286 -17.133 3.400 572 2HH1 ARG 67 HH22 ARG 67 -5.122 -18.650 3.374 573 1HH2 ARG 67 HH11 ARG 67 -3.420 -19.838 0.596 574 2HH2 ARG 67 HH12 ARG 67 -4.630 -20.182 1.785 575 H ASP 68 HN ASP 68 1.917 -18.068 2.810 576 HA ASP 68 HA ASP 68 4.259 -18.965 1.470 577 1HB ASP 68 HB2 ASP 68 2.366 -20.410 3.351 578 2HB ASP 68 HB1 ASP 68 3.905 -21.083 2.812 579 H ASP 69 HN ASP 69 4.564 -20.791 0.070 580 HA ASP 69 HA ASP 69 2.473 -21.160 -1.881 581 1HB ASP 69 HB2 ASP 69 5.092 -22.607 -1.400 582 2HB ASP 69 HB1 ASP 69 4.032 -22.954 -2.767 583 H LYS 70 HN LYS 70 3.201 -22.686 1.120 584 HA LYS 70 HA LYS 70 2.135 -25.298 0.636 585 1HB LYS 70 HB2 LYS 70 2.202 -23.592 3.145 586 2HB LYS 70 HB1 LYS 70 1.688 -25.276 3.131 587 1HG LYS 70 HG2 LYS 70 4.366 -24.470 2.002 588 2HG LYS 70 HG1 LYS 70 4.162 -24.748 3.728 589 1HD LYS 70 HD2 LYS 70 3.236 -27.021 3.191 590 2HD LYS 70 HD1 LYS 70 3.651 -26.743 1.500 591 1HE LYS 70 HE2 LYS 70 6.012 -26.405 2.138 592 2HE LYS 70 HE1 LYS 70 5.594 -26.713 3.824 593 1HZ LYS 70 HZ1 LYS 70 6.335 -28.592 2.016 594 2HZ LYS 70 HZ2 LYS 70 4.643 -28.740 2.030 595 3HZ LYS 70 HZ3 LYS 70 5.524 -28.897 3.474 596 H LYS 71 HN LYS 71 0.643 -22.245 1.592 597 HA LYS 71 HA LYS 71 -2.032 -23.422 1.748 598 1HB LYS 71 HB2 LYS 71 -1.423 -20.466 1.593 599 2HB LYS 71 HB1 LYS 71 -2.731 -21.278 2.452 600 1HG LYS 71 HG2 LYS 71 0.208 -21.346 3.168 601 2HG LYS 71 HG1 LYS 71 -1.086 -20.567 4.077 602 1HD LYS 71 HD2 LYS 71 -2.168 -22.922 4.169 603 2HD LYS 71 HD1 LYS 71 -0.578 -23.517 3.690 604 1HE LYS 71 HE2 LYS 71 -0.658 -23.569 6.096 605 2HE LYS 71 HE1 LYS 71 0.385 -22.220 5.641 606 1HZ LYS 71 HZ1 LYS 71 -1.417 -21.817 7.388 607 2HZ LYS 71 HZ2 LYS 71 -2.506 -21.826 6.085 608 3HZ LYS 71 HZ3 LYS 71 -1.254 -20.679 6.141 609 HA PRO 72 HA PRO 72 -2.934 -23.012 -2.565 610 1HB PRO 72 HB2 PRO 72 -5.620 -22.370 -2.526 611 2HB PRO 72 HB1 PRO 72 -4.988 -24.004 -2.252 612 1HG PRO 72 HG2 PRO 72 -5.871 -21.961 -0.264 613 2HG PRO 72 HG1 PRO 72 -6.140 -23.713 -0.274 614 1HD PRO 72 HD2 PRO 72 -4.239 -22.560 1.285 615 2HD PRO 72 HD1 PRO 72 -4.021 -24.178 0.584 616 H GLY 73 HN GLY 73 -2.421 -20.486 -0.753 617 1HA GLY 73 HA2 GLY 73 -2.230 -18.174 -1.120 618 2HA GLY 73 HA1 GLY 73 -2.238 -18.583 -2.835 619 H LYS 74 HN LYS 74 -4.391 -17.954 -0.072 620 HA LYS 74 HA LYS 74 -6.779 -17.830 -1.656 621 1HB LYS 74 HB2 LYS 74 -6.105 -16.703 1.063 622 2HB LYS 74 HB1 LYS 74 -7.712 -16.585 0.344 623 1HG LYS 74 HG2 LYS 74 -7.804 -19.036 0.139 624 2HG LYS 74 HG1 LYS 74 -6.206 -19.165 0.859 625 1HD LYS 74 HD2 LYS 74 -7.044 -18.104 2.925 626 2HD LYS 74 HD1 LYS 74 -8.651 -17.986 2.207 627 1HE LYS 74 HE2 LYS 74 -7.133 -20.564 2.705 628 2HE LYS 74 HE1 LYS 74 -8.479 -19.966 3.673 629 1HZ LYS 74 HZ1 LYS 74 -8.951 -21.656 1.823 630 2HZ LYS 74 HZ2 LYS 74 -8.775 -20.343 0.764 631 3HZ LYS 74 HZ3 LYS 74 -9.975 -20.313 1.964 632 H GLY 75 HN GLY 75 -4.343 -15.520 -0.815 633 1HA GLY 75 HA2 GLY 75 -5.127 -13.752 -2.969 634 2HA GLY 75 HA1 GLY 75 -5.564 -13.076 -1.399 635 H SER 76 HN SER 76 -3.966 -11.373 -1.967 636 HA SER 76 HA SER 76 -1.191 -12.209 -1.198 637 1HB SER 76 HB2 SER 76 -1.360 -11.797 -3.670 638 2HB SER 76 HB1 SER 76 -1.891 -10.155 -3.317 639 HG SER 76 HG SER 76 0.587 -11.389 -2.715 640 H TYR 77 HN TYR 77 -0.595 -11.107 0.601 641 HA TYR 77 HA TYR 77 -2.152 -8.829 1.535 642 1HB TYR 77 HB2 TYR 77 0.544 -9.708 2.599 643 2HB TYR 77 HB1 TYR 77 -0.723 -8.830 3.452 644 HD1 TYR 77 HD1 TYR 77 -3.171 -10.337 2.904 645 HD2 TYR 77 HD2 TYR 77 0.812 -11.787 3.630 646 HE1 TYR 77 HE1 TYR 77 -4.095 -12.482 3.723 647 HE2 TYR 77 HE2 TYR 77 -0.120 -13.930 4.444 648 HH TYR 77 HH TYR 77 -3.456 -14.342 5.130 649 H TRP 78 HN TRP 78 -0.710 -6.828 2.300 650 HA TRP 78 HA TRP 78 1.264 -6.112 0.166 651 1HB TRP 78 HB2 TRP 78 -1.197 -4.541 0.984 652 2HB TRP 78 HB1 TRP 78 0.158 -3.820 0.116 653 HD1 TRP 78 HD1 TRP 78 -2.328 -6.758 -0.273 654 HE1 TRP 78 HE1 TRP 78 -2.741 -7.122 -2.792 655 HE3 TRP 78 HE3 TRP 78 0.898 -3.305 -2.202 656 HZ2 TRP 78 HZ2 TRP 78 -1.814 -6.086 -5.299 657 HZ3 TRP 78 HZ3 TRP 78 1.108 -3.008 -4.652 658 HH2 TRP 78 HH2 TRP 78 -0.246 -4.390 -6.201 659 H THR 79 HN THR 79 2.813 -4.545 0.865 660 HA THR 79 HA THR 79 2.600 -3.398 3.558 661 HB THR 79 HB THR 79 3.429 -5.695 4.010 662 HG1 THR 79 HG1 THR 79 5.541 -4.877 4.907 663 1HG2 THR 79 HG21 THR 79 4.579 -5.861 1.738 664 2HG2 THR 79 HG22 THR 79 5.496 -6.481 3.111 665 3HG2 THR 79 HG23 THR 79 5.884 -4.899 2.435 666 H LEU 80 HN LEU 80 4.386 -1.904 4.000 667 HA LEU 80 HA LEU 80 5.258 -0.497 1.604 668 1HB LEU 80 HB2 LEU 80 5.954 -0.125 4.535 669 2HB LEU 80 HB1 LEU 80 6.440 0.981 3.255 670 HG LEU 80 HG LEU 80 3.550 0.252 3.799 671 1HD1 LEU 80 HD11 LEU 80 4.584 1.332 5.784 672 2HD1 LEU 80 HD12 LEU 80 3.377 2.366 5.023 673 3HD1 LEU 80 HD13 LEU 80 5.093 2.678 4.765 674 1HD2 LEU 80 HD21 LEU 80 3.687 1.187 1.636 675 2HD2 LEU 80 HD22 LEU 80 4.967 2.309 2.095 676 3HD2 LEU 80 HD23 LEU 80 3.314 2.580 2.641 677 H ASP 81 HN ASP 81 7.710 0.101 1.465 678 HA ASP 81 HA ASP 81 9.220 -2.170 0.871 679 1HB ASP 81 HB2 ASP 81 10.621 0.274 1.944 680 2HB ASP 81 HB1 ASP 81 11.031 -0.720 0.545 681 HA PRO 82 HA PRO 82 10.705 -3.898 4.645 682 1HB PRO 82 HB2 PRO 82 13.587 -3.379 4.127 683 2HB PRO 82 HB1 PRO 82 12.729 -4.926 4.263 684 1HG PRO 82 HG2 PRO 82 13.626 -4.020 1.914 685 2HG PRO 82 HG1 PRO 82 12.104 -4.921 2.042 686 1HD PRO 82 HD2 PRO 82 12.523 -1.951 1.787 687 2HD PRO 82 HD1 PRO 82 11.330 -2.994 0.967 688 H ASP 83 HN ASP 83 13.306 -3.130 5.972 689 HA ASP 83 HA ASP 83 12.251 -0.764 7.433 690 1HB ASP 83 HB2 ASP 83 14.525 -2.676 8.060 691 2HB ASP 83 HB1 ASP 83 14.020 -1.336 9.091 692 H SER 84 HN SER 84 13.442 -0.535 4.743 693 HA SER 84 HA SER 84 16.140 0.392 4.880 694 1HB SER 84 HB2 SER 84 15.386 0.005 2.696 695 2HB SER 84 HB1 SER 84 13.857 0.837 2.975 696 HG SER 84 HG SER 84 16.160 1.808 2.023 697 H TYR 85 HN TYR 85 15.636 1.543 7.064 698 HA TYR 85 HA TYR 85 14.291 4.127 6.860 699 1HB TYR 85 HB2 TYR 85 14.530 2.564 8.943 700 2HB TYR 85 HB1 TYR 85 16.115 3.311 9.125 701 HD1 TYR 85 HD1 TYR 85 12.496 3.800 9.324 702 HD2 TYR 85 HD2 TYR 85 16.319 5.744 9.564 703 HE1 TYR 85 HE1 TYR 85 11.426 5.774 10.382 704 HE2 TYR 85 HE2 TYR 85 15.250 7.717 10.622 705 HH TYR 85 HH TYR 85 11.733 7.937 10.964 706 H ASN 86 HN ASN 86 17.622 3.383 7.939 707 HA ASN 86 HA ASN 86 18.567 5.781 6.400 708 1HB ASN 86 HB2 ASN 86 19.331 4.719 9.116 709 2HB ASN 86 HB1 ASN 86 20.445 5.733 8.198 710 1HD2 ASN 86 HD21 ASN 86 18.882 6.367 10.738 711 2HD2 ASN 86 HD22 ASN 86 18.015 7.777 10.366 712 H MET 87 HN MET 87 18.419 2.768 5.775 713 HA MET 87 HA MET 87 21.256 2.026 5.569 714 1HB MET 87 HB2 MET 87 18.756 0.733 4.438 715 2HB MET 87 HB1 MET 87 20.375 0.043 4.354 716 1HG MET 87 HG2 MET 87 19.584 -1.009 6.267 717 2HG MET 87 HG1 MET 87 20.305 0.427 6.991 718 1HE MET 87 HE1 MET 87 17.614 -1.789 7.458 719 2HE MET 87 HE2 MET 87 16.778 -0.779 8.635 720 3HE MET 87 HE3 MET 87 18.526 -0.975 8.737 721 H PHE 88 HN PHE 88 22.223 3.527 4.191 722 HA PHE 88 HA PHE 88 21.083 3.830 1.438 723 1HB PHE 88 HB2 PHE 88 23.263 5.454 2.783 724 2HB PHE 88 HB1 PHE 88 22.452 5.822 1.261 725 HD1 PHE 88 HD1 PHE 88 19.812 5.951 1.387 726 HD2 PHE 88 HD2 PHE 88 22.439 6.431 4.753 727 HE1 PHE 88 HE1 PHE 88 18.021 7.147 2.615 728 HE2 PHE 88 HE2 PHE 88 20.647 7.627 5.980 729 HZ PHE 88 HZ PHE 88 18.438 7.985 4.912 730 H GLU 89 HN GLU 89 23.253 1.987 3.102 731 HA GLU 89 HA GLU 89 25.479 2.012 1.220 732 1HB GLU 89 HB2 GLU 89 24.680 0.111 3.444 733 2HB GLU 89 HB1 GLU 89 26.161 -0.059 2.498 734 1HG GLU 89 HG2 GLU 89 26.875 2.195 3.197 735 2HG GLU 89 HG1 GLU 89 25.395 2.375 4.138 736 H ASN 90 HN ASN 90 25.856 -0.795 0.862 737 HA ASN 90 HA ASN 90 24.239 -1.221 -1.472 738 1HB ASN 90 HB2 ASN 90 26.033 -3.078 0.105 739 2HB ASN 90 HB1 ASN 90 25.243 -3.551 -1.398 740 1HD2 ASN 90 HD21 ASN 90 25.805 -0.314 -1.793 741 2HD2 ASN 90 HD22 ASN 90 27.332 -0.375 -2.532 742 H GLY 91 HN GLY 91 23.667 -1.721 1.801 743 1HA GLY 91 HA2 GLY 91 21.349 -2.225 2.504 744 2HA GLY 91 HA1 GLY 91 21.254 -3.398 1.193 745 H SER 92 HN SER 92 22.929 -2.726 4.257 746 HA SER 92 HA SER 92 23.597 -5.629 4.512 747 1HB SER 92 HB2 SER 92 25.321 -3.743 4.893 748 2HB SER 92 HB1 SER 92 24.443 -3.406 6.380 749 HG SER 92 HG SER 92 25.320 -5.110 7.231 750 H PHE 93 HN PHE 93 21.377 -6.252 4.996 751 HA PHE 93 HA PHE 93 19.792 -5.077 7.044 752 1HB PHE 93 HB2 PHE 93 19.045 -6.791 5.317 753 2HB PHE 93 HB1 PHE 93 19.799 -8.020 6.334 754 HD1 PHE 93 HD1 PHE 93 18.695 -8.843 8.285 755 HD2 PHE 93 HD2 PHE 93 17.264 -5.297 6.328 756 HE1 PHE 93 HE1 PHE 93 16.680 -8.854 9.733 757 HE2 PHE 93 HE2 PHE 93 15.250 -5.310 7.773 758 HZ PHE 93 HZ PHE 93 14.958 -7.089 9.476 759 H LEU 94 HN LEU 94 21.997 -7.890 7.211 760 HA LEU 94 HA LEU 94 21.773 -7.923 10.157 761 1HB LEU 94 HB2 LEU 94 23.356 -9.623 8.210 762 2HB LEU 94 HB1 LEU 94 23.344 -9.871 9.953 763 HG LEU 94 HG LEU 94 20.852 -9.873 8.227 764 1HD1 LEU 94 HD11 LEU 94 20.951 -12.381 8.658 765 2HD1 LEU 94 HD12 LEU 94 22.616 -12.136 9.184 766 3HD1 LEU 94 HD13 LEU 94 22.150 -11.754 7.527 767 1HD2 LEU 94 HD21 LEU 94 20.081 -9.483 10.390 768 2HD2 LEU 94 HD22 LEU 94 21.422 -10.341 11.146 769 3HD2 LEU 94 HD23 LEU 94 20.114 -11.243 10.385 Start of MODEL 23 1 1H MET 1 HT1 MET 1 -24.380 17.085 -0.846 2 2H MET 1 HT2 MET 1 -25.197 16.440 0.499 3 3H MET 1 HT3 MET 1 -23.699 15.794 0.019 4 HA MET 1 HA MET 1 -23.382 18.546 0.449 5 1HB MET 1 HB2 MET 1 -25.472 17.942 1.917 6 2HB MET 1 HB1 MET 1 -24.302 17.124 2.948 7 1HG MET 1 HG2 MET 1 -24.411 19.292 3.863 8 2HG MET 1 HG1 MET 1 -22.972 19.357 2.846 9 1HE MET 1 HE1 MET 1 -26.756 19.629 2.853 10 2HE MET 1 HE2 MET 1 -27.090 21.209 2.150 11 3HE MET 1 HE3 MET 1 -26.270 21.099 3.706 12 H LEU 2 HN LEU 2 -22.359 15.607 0.059 13 HA LEU 2 HA LEU 2 -20.100 15.752 2.033 14 1HB LEU 2 HB2 LEU 2 -21.163 13.372 0.478 15 2HB LEU 2 HB1 LEU 2 -19.835 13.338 1.636 16 HG LEU 2 HG LEU 2 -22.664 14.200 2.312 17 1HD1 LEU 2 HD11 LEU 2 -22.801 11.991 3.465 18 2HD1 LEU 2 HD12 LEU 2 -21.247 11.556 2.754 19 3HD1 LEU 2 HD13 LEU 2 -22.644 11.836 1.715 20 1HD2 LEU 2 HD21 LEU 2 -21.688 13.626 4.677 21 2HD2 LEU 2 HD22 LEU 2 -21.263 15.165 3.939 22 3HD2 LEU 2 HD23 LEU 2 -20.120 13.822 3.895 23 H VAL 3 HN VAL 3 -18.036 15.815 1.242 24 HA VAL 3 HA VAL 3 -17.631 15.608 -1.719 25 HB VAL 3 HB VAL 3 -16.065 17.502 -1.596 26 1HG1 VAL 3 HG11 VAL 3 -18.717 18.252 -0.334 27 2HG1 VAL 3 HG12 VAL 3 -18.533 17.833 -2.038 28 3HG1 VAL 3 HG13 VAL 3 -17.713 19.252 -1.385 29 1HG2 VAL 3 HG21 VAL 3 -16.930 17.523 1.310 30 2HG2 VAL 3 HG22 VAL 3 -16.122 18.886 0.534 31 3HG2 VAL 3 HG23 VAL 3 -15.293 17.336 0.680 32 H LYS 4 HN LYS 4 -15.368 15.087 -2.294 33 HA LYS 4 HA LYS 4 -14.333 12.973 -0.667 34 1HB LYS 4 HB2 LYS 4 -13.098 14.514 -2.963 35 2HB LYS 4 HB1 LYS 4 -12.370 13.080 -2.245 36 1HG LYS 4 HG2 LYS 4 -14.174 11.691 -2.916 37 2HG LYS 4 HG1 LYS 4 -15.203 13.069 -3.296 38 1HD LYS 4 HD2 LYS 4 -12.594 12.748 -4.768 39 2HD LYS 4 HD1 LYS 4 -13.967 11.751 -5.236 40 1HE LYS 4 HE2 LYS 4 -15.339 13.777 -5.558 41 2HE LYS 4 HE1 LYS 4 -13.966 14.782 -5.098 42 1HZ LYS 4 HZ1 LYS 4 -13.644 12.817 -7.256 43 2HZ LYS 4 HZ2 LYS 4 -12.841 14.293 -7.012 44 3HZ LYS 4 HZ3 LYS 4 -14.440 14.278 -7.585 45 HA PRO 5 HA PRO 5 -11.708 15.363 2.058 46 1HB PRO 5 HB2 PRO 5 -9.981 13.487 2.917 47 2HB PRO 5 HB1 PRO 5 -11.703 13.409 3.335 48 1HG PRO 5 HG2 PRO 5 -10.232 11.966 1.166 49 2HG PRO 5 HG1 PRO 5 -11.387 11.323 2.348 50 1HD PRO 5 HD2 PRO 5 -12.123 11.965 -0.203 51 2HD PRO 5 HD1 PRO 5 -13.234 12.119 1.178 52 HA PRO 6 HA PRO 6 -8.158 16.632 -0.292 53 1HB PRO 6 HB2 PRO 6 -6.506 17.653 1.618 54 2HB PRO 6 HB1 PRO 6 -8.038 18.428 1.172 55 1HG PRO 6 HG2 PRO 6 -7.440 16.636 3.489 56 2HG PRO 6 HG1 PRO 6 -8.359 18.153 3.452 57 1HD PRO 6 HD2 PRO 6 -9.579 15.711 3.445 58 2HD PRO 6 HD1 PRO 6 -10.281 17.127 2.634 59 H TYR 7 HN TYR 7 -7.977 13.855 1.524 60 HA TYR 7 HA TYR 7 -5.060 13.515 1.462 61 1HB TYR 7 HB2 TYR 7 -7.173 11.385 1.883 62 2HB TYR 7 HB1 TYR 7 -5.473 11.301 2.338 63 HD1 TYR 7 HD1 TYR 7 -8.646 11.807 3.634 64 HD2 TYR 7 HD2 TYR 7 -4.705 13.508 3.778 65 HE1 TYR 7 HE1 TYR 7 -9.198 12.893 5.787 66 HE2 TYR 7 HE2 TYR 7 -5.246 14.576 5.948 67 HH TYR 7 HH TYR 7 -8.216 15.081 7.056 68 H SER 8 HN SER 8 -3.913 12.507 -0.159 69 HA SER 8 HA SER 8 -5.219 12.067 -2.710 70 1HB SER 8 HB2 SER 8 -2.862 12.815 -2.554 71 2HB SER 8 HB1 SER 8 -2.432 11.286 -1.791 72 HG SER 8 HG SER 8 -2.181 10.631 -3.773 73 H TYR 9 HN TYR 9 -5.121 9.908 -3.849 74 HA TYR 9 HA TYR 9 -6.360 7.874 -2.292 75 1HB TYR 9 HB2 TYR 9 -4.894 7.680 -4.942 76 2HB TYR 9 HB1 TYR 9 -5.861 6.378 -4.248 77 HD1 TYR 9 HD1 TYR 9 -5.942 9.719 -5.783 78 HD2 TYR 9 HD2 TYR 9 -8.298 6.560 -4.079 79 HE1 TYR 9 HE1 TYR 9 -7.997 10.753 -6.710 80 HE2 TYR 9 HE2 TYR 9 -10.357 7.591 -5.004 81 HH TYR 9 HH TYR 9 -10.841 9.197 -7.056 82 H ILE 10 HN ILE 10 -2.976 8.360 -3.255 83 HA ILE 10 HA ILE 10 -1.997 5.894 -2.150 84 HB ILE 10 HB ILE 10 -0.573 8.549 -2.539 85 1HG1 ILE 10 HG12 ILE 10 -0.611 6.079 -4.300 86 2HG1 ILE 10 HG11 ILE 10 -1.616 7.500 -4.584 87 1HG2 ILE 10 HG21 ILE 10 1.467 7.078 -2.587 88 2HG2 ILE 10 HG22 ILE 10 0.453 5.737 -2.056 89 3HG2 ILE 10 HG23 ILE 10 0.679 7.140 -1.012 90 1HD1 ILE 10 HD11 ILE 10 0.496 7.528 -5.917 91 2HD1 ILE 10 HD12 ILE 10 1.410 7.554 -4.409 92 3HD1 ILE 10 HD13 ILE 10 0.357 8.907 -4.825 93 H ALA 11 HN ALA 11 -2.435 9.156 -0.805 94 HA ALA 11 HA ALA 11 -1.184 8.674 1.713 95 1HB ALA 11 HB1 ALA 11 -3.562 10.485 1.164 96 2HB ALA 11 HB2 ALA 11 -1.883 10.929 0.854 97 3HB ALA 11 HB3 ALA 11 -2.423 10.620 2.504 98 H LEU 12 HN LEU 12 -4.619 8.307 0.739 99 HA LEU 12 HA LEU 12 -5.548 7.431 3.290 100 1HB LEU 12 HB2 LEU 12 -6.519 6.706 0.510 101 2HB LEU 12 HB1 LEU 12 -7.396 6.341 1.993 102 HG LEU 12 HG LEU 12 -6.604 9.128 1.090 103 1HD1 LEU 12 HD11 LEU 12 -9.394 7.972 1.186 104 2HD1 LEU 12 HD12 LEU 12 -8.398 7.862 -0.266 105 3HD1 LEU 12 HD13 LEU 12 -8.846 9.440 0.381 106 1HD2 LEU 12 HD21 LEU 12 -8.499 9.577 2.913 107 2HD2 LEU 12 HD22 LEU 12 -6.823 9.349 3.394 108 3HD2 LEU 12 HD23 LEU 12 -7.966 8.013 3.529 109 H ILE 13 HN ILE 13 -4.182 5.643 0.550 110 HA ILE 13 HA ILE 13 -4.482 3.047 1.779 111 HB ILE 13 HB ILE 13 -2.649 4.052 -0.413 112 1HG1 ILE 13 HG12 ILE 13 -5.105 2.295 -0.614 113 2HG1 ILE 13 HG11 ILE 13 -5.190 4.053 -0.733 114 1HG2 ILE 13 HG21 ILE 13 -2.520 1.555 -0.949 115 2HG2 ILE 13 HG22 ILE 13 -3.159 1.273 0.670 116 3HG2 ILE 13 HG23 ILE 13 -1.609 2.088 0.462 117 1HD1 ILE 13 HD11 ILE 13 -3.531 3.967 -2.595 118 2HD1 ILE 13 HD12 ILE 13 -5.022 3.105 -2.975 119 3HD1 ILE 13 HD13 ILE 13 -3.576 2.205 -2.516 120 H THR 14 HN THR 14 -1.802 5.398 1.616 121 HA THR 14 HA THR 14 0.147 3.778 2.898 122 HB THR 14 HB THR 14 -0.163 6.786 3.036 123 HG1 THR 14 HG1 THR 14 0.259 5.232 0.995 124 1HG2 THR 14 HG21 THR 14 2.302 6.717 3.413 125 2HG2 THR 14 HG22 THR 14 2.206 4.960 3.514 126 3HG2 THR 14 HG23 THR 14 1.397 5.958 4.722 127 H MET 15 HN MET 15 -2.277 5.994 4.244 128 HA MET 15 HA MET 15 -1.447 5.616 6.985 129 1HB MET 15 HB2 MET 15 -4.012 6.646 5.752 130 2HB MET 15 HB1 MET 15 -3.730 6.602 7.492 131 1HG MET 15 HG2 MET 15 -1.626 7.940 7.105 132 2HG MET 15 HG1 MET 15 -2.110 8.113 5.421 133 1HE MET 15 HE1 MET 15 -5.469 9.647 5.498 134 2HE MET 15 HE2 MET 15 -4.219 8.719 4.677 135 3HE MET 15 HE3 MET 15 -4.057 10.465 4.818 136 H ALA 16 HN ALA 16 -3.808 4.034 4.889 137 HA ALA 16 HA ALA 16 -5.159 2.494 6.855 138 1HB ALA 16 HB1 ALA 16 -6.040 2.536 4.628 139 2HB ALA 16 HB2 ALA 16 -5.519 0.873 4.908 140 3HB ALA 16 HB3 ALA 16 -4.519 1.963 3.946 141 H ILE 17 HN ILE 17 -2.222 1.748 4.972 142 HA ILE 17 HA ILE 17 -1.770 -0.859 6.037 143 HB ILE 17 HB ILE 17 0.253 1.222 5.126 144 1HG1 ILE 17 HG12 ILE 17 -0.994 -1.061 3.579 145 2HG1 ILE 17 HG11 ILE 17 -1.621 0.585 3.535 146 1HG2 ILE 17 HG21 ILE 17 1.255 -0.671 6.398 147 2HG2 ILE 17 HG22 ILE 17 1.700 -0.721 4.693 148 3HG2 ILE 17 HG23 ILE 17 0.452 -1.803 5.309 149 1HD1 ILE 17 HD11 ILE 17 -0.060 0.099 1.647 150 2HD1 ILE 17 HD12 ILE 17 1.222 -0.182 2.825 151 3HD1 ILE 17 HD13 ILE 17 0.498 1.421 2.674 152 H GLN 18 HN GLN 18 -0.511 2.318 7.055 153 HA GLN 18 HA GLN 18 0.886 1.363 9.363 154 1HB GLN 18 HB2 GLN 18 -0.340 4.071 8.777 155 2HB GLN 18 HB1 GLN 18 0.638 3.738 10.205 156 1HG GLN 18 HG2 GLN 18 2.522 3.059 8.760 157 2HG GLN 18 HG1 GLN 18 1.545 3.403 7.331 158 1HE2 GLN 18 HE21 GLN 18 0.369 5.762 9.093 159 2HE2 GLN 18 HE22 GLN 18 1.530 6.982 8.886 160 H ASN 19 HN ASN 19 -2.454 2.462 8.906 161 HA ASN 19 HA ASN 19 -3.106 2.137 11.737 162 1HB ASN 19 HB2 ASN 19 -4.802 2.631 9.274 163 2HB ASN 19 HB1 ASN 19 -5.464 2.523 10.905 164 1HD2 ASN 19 HD21 ASN 19 -2.412 3.814 11.270 165 2HD2 ASN 19 HD22 ASN 19 -2.802 5.465 11.223 166 H ALA 20 HN ALA 20 -2.422 -0.097 9.453 167 HA ALA 20 HA ALA 20 -4.668 -1.914 9.824 168 1HB ALA 20 HB1 ALA 20 -3.331 -3.499 8.541 169 2HB ALA 20 HB2 ALA 20 -1.881 -2.526 8.781 170 3HB ALA 20 HB3 ALA 20 -3.202 -1.912 7.785 171 HA PRO 21 HA PRO 21 -3.251 -3.683 13.666 172 1HB PRO 21 HB2 PRO 21 -4.241 -6.254 13.433 173 2HB PRO 21 HB1 PRO 21 -5.241 -4.851 13.850 174 1HG PRO 21 HG2 PRO 21 -4.908 -6.219 11.221 175 2HG PRO 21 HG1 PRO 21 -6.369 -5.549 11.964 176 1HD PRO 21 HD2 PRO 21 -5.002 -4.239 10.002 177 2HD PRO 21 HD1 PRO 21 -5.886 -3.378 11.280 178 H GLU 22 HN GLU 22 -2.468 -4.999 10.587 179 HA GLU 22 HA GLU 22 0.149 -5.933 11.610 180 1HB GLU 22 HB2 GLU 22 -0.079 -7.989 10.101 181 2HB GLU 22 HB1 GLU 22 -1.014 -8.022 11.594 182 1HG GLU 22 HG2 GLU 22 -3.013 -7.268 10.368 183 2HG GLU 22 HG1 GLU 22 -2.083 -7.222 8.872 184 H LYS 23 HN LYS 23 1.772 -5.811 9.962 185 HA LYS 23 HA LYS 23 1.393 -3.740 8.054 186 1HB LYS 23 HB2 LYS 23 3.499 -5.925 8.099 187 2HB LYS 23 HB1 LYS 23 3.587 -4.458 7.129 188 1HG LYS 23 HG2 LYS 23 3.256 -4.363 10.130 189 2HG LYS 23 HG1 LYS 23 4.845 -4.454 9.376 190 1HD LYS 23 HD2 LYS 23 4.198 -2.397 8.022 191 2HD LYS 23 HD1 LYS 23 2.783 -2.256 9.067 192 1HE LYS 23 HE2 LYS 23 5.669 -2.253 9.982 193 2HE LYS 23 HE1 LYS 23 4.591 -0.857 9.932 194 1HZ LYS 23 HZ1 LYS 23 4.065 -1.424 12.006 195 2HZ LYS 23 HZ2 LYS 23 4.765 -2.966 11.870 196 3HZ LYS 23 HZ3 LYS 23 3.176 -2.700 11.328 197 H LYS 24 HN LYS 24 1.257 -7.280 7.649 198 HA LYS 24 HA LYS 24 0.863 -7.040 4.764 199 1HB LYS 24 HB2 LYS 24 0.428 -9.361 6.670 200 2HB LYS 24 HB1 LYS 24 0.281 -9.474 4.917 201 1HG LYS 24 HG2 LYS 24 2.629 -8.762 4.668 202 2HG LYS 24 HG1 LYS 24 2.779 -8.652 6.423 203 1HD LYS 24 HD2 LYS 24 2.243 -11.052 6.624 204 2HD LYS 24 HD1 LYS 24 2.096 -11.167 4.869 205 1HE LYS 24 HE2 LYS 24 4.474 -10.367 4.686 206 2HE LYS 24 HE1 LYS 24 4.593 -10.478 6.444 207 1HZ LYS 24 HZ1 LYS 24 5.040 -12.618 6.212 208 2HZ LYS 24 HZ2 LYS 24 4.817 -12.534 4.529 209 3HZ LYS 24 HZ3 LYS 24 3.499 -12.866 5.549 210 H ILE 25 HN ILE 25 -1.037 -6.530 3.810 211 HA ILE 25 HA ILE 25 -3.592 -7.210 5.190 212 HB ILE 25 HB ILE 25 -2.964 -4.810 5.656 213 1HG1 ILE 25 HG12 ILE 25 -5.391 -5.090 3.863 214 2HG1 ILE 25 HG11 ILE 25 -5.339 -5.700 5.518 215 1HG2 ILE 25 HG21 ILE 25 -3.541 -4.351 2.726 216 2HG2 ILE 25 HG22 ILE 25 -1.897 -4.559 3.329 217 3HG2 ILE 25 HG23 ILE 25 -2.881 -3.213 3.902 218 1HD1 ILE 25 HD11 ILE 25 -6.346 -3.415 5.347 219 2HD1 ILE 25 HD12 ILE 25 -4.799 -2.819 4.748 220 3HD1 ILE 25 HD13 ILE 25 -4.921 -3.468 6.384 221 H THR 26 HN THR 26 -5.240 -7.760 3.779 222 HA THR 26 HA THR 26 -4.424 -8.386 1.042 223 HB THR 26 HB THR 26 -6.531 -9.528 0.881 224 HG1 THR 26 HG1 THR 26 -7.529 -8.757 3.304 225 1HG2 THR 26 HG21 THR 26 -6.430 -10.993 2.787 226 2HG2 THR 26 HG22 THR 26 -5.698 -9.735 3.783 227 3HG2 THR 26 HG23 THR 26 -4.782 -10.457 2.460 228 H LEU 27 HN LEU 27 -5.629 -7.613 -0.846 229 HA LEU 27 HA LEU 27 -5.917 -4.798 -0.903 230 1HB LEU 27 HB2 LEU 27 -5.431 -6.170 -2.885 231 2HB LEU 27 HB1 LEU 27 -7.027 -6.898 -2.791 232 HG LEU 27 HG LEU 27 -8.110 -4.871 -3.417 233 1HD1 LEU 27 HD11 LEU 27 -7.041 -3.196 -2.116 234 2HD1 LEU 27 HD12 LEU 27 -6.694 -2.761 -3.785 235 3HD1 LEU 27 HD13 LEU 27 -5.459 -3.557 -2.811 236 1HD2 LEU 27 HD21 LEU 27 -5.565 -5.318 -4.990 237 2HD2 LEU 27 HD22 LEU 27 -6.803 -4.179 -5.502 238 3HD2 LEU 27 HD23 LEU 27 -7.192 -5.891 -5.357 239 H ASN 28 HN ASN 28 -8.314 -7.365 -0.561 240 HA ASN 28 HA ASN 28 -10.675 -5.797 -0.685 241 1HB ASN 28 HB2 ASN 28 -10.030 -8.324 0.840 242 2HB ASN 28 HB1 ASN 28 -11.652 -7.642 0.737 243 1HD2 ASN 28 HD21 ASN 28 -11.643 -6.760 -1.971 244 2HD2 ASN 28 HD22 ASN 28 -11.526 -8.116 -2.986 245 H GLY 29 HN GLY 29 -8.588 -6.595 2.087 246 1HA GLY 29 HA2 GLY 29 -10.204 -5.421 4.110 247 2HA GLY 29 HA1 GLY 29 -8.467 -5.675 4.236 248 H ILE 30 HN ILE 30 -7.700 -3.966 2.044 249 HA ILE 30 HA ILE 30 -7.517 -1.481 3.406 250 HB ILE 30 HB ILE 30 -7.144 -2.156 0.477 251 1HG1 ILE 30 HG12 ILE 30 -5.126 -1.589 2.669 252 2HG1 ILE 30 HG11 ILE 30 -5.655 -3.215 2.239 253 1HG2 ILE 30 HG21 ILE 30 -6.593 0.383 2.037 254 2HG2 ILE 30 HG22 ILE 30 -7.562 0.211 0.574 255 3HG2 ILE 30 HG23 ILE 30 -5.811 0.018 0.499 256 1HD1 ILE 30 HD11 ILE 30 -4.588 -1.342 0.129 257 2HD1 ILE 30 HD12 ILE 30 -4.676 -3.103 0.103 258 3HD1 ILE 30 HD13 ILE 30 -3.492 -2.296 1.130 259 H TYR 31 HN TYR 31 -9.780 -2.563 0.884 260 HA TYR 31 HA TYR 31 -11.070 -0.060 0.442 261 1HB TYR 31 HB2 TYR 31 -11.977 -2.923 0.222 262 2HB TYR 31 HB1 TYR 31 -13.108 -1.612 -0.068 263 HD1 TYR 31 HD1 TYR 31 -12.127 0.323 -1.633 264 HD2 TYR 31 HD2 TYR 31 -10.794 -3.749 -1.626 265 HE1 TYR 31 HE1 TYR 31 -11.265 0.599 -3.934 266 HE2 TYR 31 HE2 TYR 31 -9.927 -3.475 -3.929 267 HH TYR 31 HH TYR 31 -10.384 -0.418 -5.692 268 H GLN 32 HN GLN 32 -11.654 -2.583 2.865 269 HA GLN 32 HA GLN 32 -14.054 -1.539 3.954 270 1HB GLN 32 HB2 GLN 32 -11.791 -3.050 5.276 271 2HB GLN 32 HB1 GLN 32 -13.378 -2.794 6.006 272 1HG GLN 32 HG2 GLN 32 -12.955 -4.123 3.317 273 2HG GLN 32 HG1 GLN 32 -13.131 -5.013 4.830 274 1HE2 GLN 32 HE21 GLN 32 -15.220 -4.299 6.131 275 2HE2 GLN 32 HE22 GLN 32 -16.620 -4.072 5.199 276 H PHE 33 HN PHE 33 -10.662 -0.748 4.728 277 HA PHE 33 HA PHE 33 -11.202 0.924 6.969 278 1HB PHE 33 HB2 PHE 33 -8.931 0.110 6.244 279 2HB PHE 33 HB1 PHE 33 -8.979 1.299 4.943 280 HD1 PHE 33 HD1 PHE 33 -8.847 3.703 5.419 281 HD2 PHE 33 HD2 PHE 33 -8.727 0.794 8.578 282 HE1 PHE 33 HE1 PHE 33 -8.047 5.444 6.992 283 HE2 PHE 33 HE2 PHE 33 -7.928 2.536 10.151 284 HZ PHE 33 HZ PHE 33 -7.587 4.861 9.358 285 H ILE 34 HN ILE 34 -11.110 1.657 3.486 286 HA ILE 34 HA ILE 34 -11.384 4.487 3.679 287 HB ILE 34 HB ILE 34 -12.579 2.718 1.531 288 1HG1 ILE 34 HG12 ILE 34 -10.295 2.005 1.821 289 2HG1 ILE 34 HG11 ILE 34 -10.346 3.037 0.396 290 1HG2 ILE 34 HG21 ILE 34 -11.420 5.514 1.382 291 2HG2 ILE 34 HG22 ILE 34 -13.144 5.160 1.496 292 3HG2 ILE 34 HG23 ILE 34 -12.228 4.636 0.084 293 1HD1 ILE 34 HD11 ILE 34 -9.756 4.961 2.052 294 2HD1 ILE 34 HD12 ILE 34 -8.479 3.847 1.563 295 3HD1 ILE 34 HD13 ILE 34 -9.263 3.656 3.129 296 H MET 35 HN MET 35 -13.969 2.147 2.896 297 HA MET 35 HA MET 35 -16.107 3.983 3.167 298 1HB MET 35 HB2 MET 35 -15.985 0.979 3.481 299 2HB MET 35 HB1 MET 35 -17.497 1.889 3.479 300 1HG MET 35 HG2 MET 35 -17.153 2.663 1.253 301 2HG MET 35 HG1 MET 35 -15.465 2.160 1.257 302 1HE MET 35 HE1 MET 35 -15.350 -1.455 0.571 303 2HE MET 35 HE2 MET 35 -15.017 -0.591 2.068 304 3HE MET 35 HE3 MET 35 -14.582 0.139 0.527 305 H ASP 36 HN ASP 36 -14.609 1.832 5.576 306 HA ASP 36 HA ASP 36 -16.481 2.267 7.673 307 1HB ASP 36 HB2 ASP 36 -13.521 1.632 7.731 308 2HB ASP 36 HB1 ASP 36 -14.534 1.658 9.175 309 H ARG 37 HN ARG 37 -13.567 4.111 6.762 310 HA ARG 37 HA ARG 37 -14.031 6.004 8.983 311 1HB ARG 37 HB2 ARG 37 -11.932 5.883 6.801 312 2HB ARG 37 HB1 ARG 37 -11.985 7.131 8.044 313 1HG ARG 37 HG2 ARG 37 -11.967 4.204 8.789 314 2HG ARG 37 HG1 ARG 37 -10.467 5.056 8.443 315 1HD ARG 37 HD2 ARG 37 -11.139 6.772 10.179 316 2HD ARG 37 HD1 ARG 37 -12.475 5.709 10.617 317 HE ARG 37 HE ARG 37 -10.273 4.053 10.759 318 1HH1 ARG 37 HH21 ARG 37 -11.155 7.136 12.034 319 2HH1 ARG 37 HH22 ARG 37 -10.230 6.945 13.487 320 1HH2 ARG 37 HH11 ARG 37 -9.064 3.790 12.647 321 2HH2 ARG 37 HH12 ARG 37 -9.044 5.055 13.832 322 H PHE 38 HN PHE 38 -13.761 6.283 5.406 323 HA PHE 38 HA PHE 38 -15.238 8.854 5.573 324 1HB PHE 38 HB2 PHE 38 -14.030 7.525 3.127 325 2HB PHE 38 HB1 PHE 38 -14.602 9.185 3.263 326 HD1 PHE 38 HD1 PHE 38 -12.033 6.785 4.477 327 HD2 PHE 38 HD2 PHE 38 -13.252 10.897 4.232 328 HE1 PHE 38 HE1 PHE 38 -9.803 7.497 5.299 329 HE2 PHE 38 HE2 PHE 38 -11.023 11.607 5.053 330 HZ PHE 38 HZ PHE 38 -9.298 9.908 5.586 331 HA PRO 39 HA PRO 39 -18.755 6.186 4.407 332 1HB PRO 39 HB2 PRO 39 -20.774 7.854 5.060 333 2HB PRO 39 HB1 PRO 39 -19.808 7.035 6.304 334 1HG PRO 39 HG2 PRO 39 -19.605 9.842 5.303 335 2HG PRO 39 HG1 PRO 39 -19.523 9.235 6.966 336 1HD PRO 39 HD2 PRO 39 -17.297 9.860 5.448 337 2HD PRO 39 HD1 PRO 39 -17.276 8.694 6.790 338 H PHE 40 HN PHE 40 -17.686 9.087 3.048 339 HA PHE 40 HA PHE 40 -19.744 9.773 1.214 340 1HB PHE 40 HB2 PHE 40 -17.963 11.312 1.482 341 2HB PHE 40 HB1 PHE 40 -16.739 10.079 1.189 342 HD1 PHE 40 HD1 PHE 40 -15.913 9.685 -0.988 343 HD2 PHE 40 HD2 PHE 40 -19.527 11.954 -0.451 344 HE1 PHE 40 HE1 PHE 40 -15.933 10.240 -3.409 345 HE2 PHE 40 HE2 PHE 40 -19.537 12.514 -2.866 346 HZ PHE 40 HZ PHE 40 -17.740 11.657 -4.344 347 H TYR 41 HN TYR 41 -17.103 7.415 0.942 348 HA TYR 41 HA TYR 41 -17.626 6.754 -1.811 349 1HB TYR 41 HB2 TYR 41 -16.172 5.253 0.378 350 2HB TYR 41 HB1 TYR 41 -16.147 4.802 -1.330 351 HD1 TYR 41 HD1 TYR 41 -14.917 6.108 -2.962 352 HD2 TYR 41 HD2 TYR 41 -15.206 7.400 1.119 353 HE1 TYR 41 HE1 TYR 41 -13.169 7.805 -3.387 354 HE2 TYR 41 HE2 TYR 41 -13.465 9.107 0.706 355 HH TYR 41 HH TYR 41 -12.390 10.265 -1.026 356 H ARG 42 HN ARG 42 -19.288 5.962 1.059 357 HA ARG 42 HA ARG 42 -20.169 3.318 0.523 358 1HB ARG 42 HB2 ARG 42 -21.610 5.608 1.894 359 2HB ARG 42 HB1 ARG 42 -22.125 3.927 1.961 360 1HG ARG 42 HG2 ARG 42 -19.329 4.715 2.760 361 2HG ARG 42 HG1 ARG 42 -20.658 4.854 3.907 362 1HD ARG 42 HD2 ARG 42 -19.646 2.346 2.543 363 2HD ARG 42 HD1 ARG 42 -19.641 2.716 4.265 364 HE ARG 42 HE ARG 42 -22.320 2.814 3.604 365 1HH1 ARG 42 HH21 ARG 42 -19.728 0.575 3.200 366 2HH1 ARG 42 HH22 ARG 42 -20.755 -0.821 3.228 367 1HH2 ARG 42 HH11 ARG 42 -23.673 1.008 3.636 368 2HH2 ARG 42 HH12 ARG 42 -22.990 -0.575 3.473 369 H GLU 43 HN GLU 43 -21.496 6.442 -0.581 370 HA GLU 43 HA GLU 43 -23.669 5.069 -2.017 371 1HB GLU 43 HB2 GLU 43 -22.872 7.977 -1.770 372 2HB GLU 43 HB1 GLU 43 -24.218 7.428 -2.770 373 1HG GLU 43 HG2 GLU 43 -25.274 6.394 -0.799 374 2HG GLU 43 HG1 GLU 43 -23.929 6.931 0.209 375 H ASN 44 HN ASN 44 -20.498 5.490 -2.632 376 HA ASN 44 HA ASN 44 -20.933 5.371 -5.592 377 1HB ASN 44 HB2 ASN 44 -18.882 7.021 -4.092 378 2HB ASN 44 HB1 ASN 44 -18.743 6.642 -5.810 379 1HD2 ASN 44 HD21 ASN 44 -19.967 8.954 -3.675 380 2HD2 ASN 44 HD22 ASN 44 -21.104 9.678 -4.706 381 H LYS 45 HN LYS 45 -20.416 3.280 -5.995 382 HA LYS 45 HA LYS 45 -18.003 2.102 -4.665 383 1HB LYS 45 HB2 LYS 45 -20.452 0.811 -5.894 384 2HB LYS 45 HB1 LYS 45 -19.072 -0.074 -5.244 385 1HG LYS 45 HG2 LYS 45 -19.434 0.973 -3.040 386 2HG LYS 45 HG1 LYS 45 -20.816 1.856 -3.686 387 1HD LYS 45 HD2 LYS 45 -21.945 -0.275 -4.197 388 2HD LYS 45 HD1 LYS 45 -20.567 -1.165 -3.548 389 1HE LYS 45 HE2 LYS 45 -22.417 -0.935 -1.890 390 2HE LYS 45 HE1 LYS 45 -20.922 -0.176 -1.341 391 1HZ LYS 45 HZ1 LYS 45 -23.026 1.164 -1.082 392 2HZ LYS 45 HZ2 LYS 45 -23.030 1.332 -2.773 393 3HZ LYS 45 HZ3 LYS 45 -21.736 1.945 -1.858 394 H GLN 46 HN GLN 46 -19.564 2.749 -7.752 395 HA GLN 46 HA GLN 46 -17.458 1.282 -9.226 396 1HB GLN 46 HB2 GLN 46 -19.900 2.843 -10.110 397 2HB GLN 46 HB1 GLN 46 -18.754 2.111 -11.233 398 1HG GLN 46 HG2 GLN 46 -19.217 -0.097 -10.394 399 2HG GLN 46 HG1 GLN 46 -20.168 0.552 -9.057 400 1HE2 GLN 46 HE21 GLN 46 -21.261 -1.312 -10.981 401 2HE2 GLN 46 HE22 GLN 46 -22.470 -0.506 -11.857 402 H GLY 47 HN GLY 47 -15.807 2.272 -10.338 403 1HA GLY 47 HA2 GLY 47 -14.825 4.185 -11.489 404 2HA GLY 47 HA1 GLY 47 -15.732 5.260 -10.431 405 H TRP 48 HN TRP 48 -15.135 4.788 -7.950 406 HA TRP 48 HA TRP 48 -12.274 5.300 -7.794 407 1HB TRP 48 HB2 TRP 48 -12.619 5.868 -5.546 408 2HB TRP 48 HB1 TRP 48 -14.101 6.360 -6.350 409 HD1 TRP 48 HD1 TRP 48 -16.277 4.735 -5.980 410 HE1 TRP 48 HE1 TRP 48 -16.900 3.293 -3.942 411 HE3 TRP 48 HE3 TRP 48 -11.713 4.369 -3.732 412 HZ2 TRP 48 HZ2 TRP 48 -15.636 2.134 -1.639 413 HZ3 TRP 48 HZ3 TRP 48 -11.443 3.084 -1.637 414 HH2 TRP 48 HH2 TRP 48 -13.391 1.960 -0.587 415 H GLN 49 HN GLN 49 -14.242 2.478 -7.517 416 HA GLN 49 HA GLN 49 -12.621 0.910 -5.777 417 1HB GLN 49 HB2 GLN 49 -14.883 0.241 -6.488 418 2HB GLN 49 HB1 GLN 49 -14.304 0.030 -8.139 419 1HG GLN 49 HG2 GLN 49 -12.754 -1.738 -7.376 420 2HG GLN 49 HG1 GLN 49 -13.327 -1.522 -5.720 421 1HE2 GLN 49 HE21 GLN 49 -14.090 -3.819 -5.811 422 2HE2 GLN 49 HE22 GLN 49 -15.539 -4.189 -6.613 423 H ASN 50 HN ASN 50 -12.605 1.044 -9.356 424 HA ASN 50 HA ASN 50 -10.318 -0.686 -9.617 425 1HB ASN 50 HB2 ASN 50 -11.568 1.323 -11.512 426 2HB ASN 50 HB1 ASN 50 -10.253 0.240 -11.966 427 1HD2 ASN 50 HD21 ASN 50 -11.054 -2.123 -10.594 428 2HD2 ASN 50 HD22 ASN 50 -12.513 -2.674 -11.263 429 H SER 51 HN SER 51 -10.682 2.827 -9.373 430 HA SER 51 HA SER 51 -8.054 3.559 -10.159 431 1HB SER 51 HB2 SER 51 -9.935 4.841 -8.160 432 2HB SER 51 HB1 SER 51 -8.457 5.598 -8.745 433 HG SER 51 HG SER 51 -10.778 4.863 -10.188 434 H ILE 52 HN ILE 52 -9.325 2.554 -6.994 435 HA ILE 52 HA ILE 52 -6.959 3.054 -5.490 436 HB ILE 52 HB ILE 52 -9.195 1.048 -5.149 437 1HG1 ILE 52 HG12 ILE 52 -9.463 3.658 -4.931 438 2HG1 ILE 52 HG11 ILE 52 -10.183 2.608 -3.721 439 1HG2 ILE 52 HG21 ILE 52 -6.794 1.581 -3.405 440 2HG2 ILE 52 HG22 ILE 52 -7.432 0.032 -3.957 441 3HG2 ILE 52 HG23 ILE 52 -8.301 0.957 -2.732 442 1HD1 ILE 52 HD11 ILE 52 -7.406 3.730 -3.347 443 2HD1 ILE 52 HD12 ILE 52 -8.501 3.074 -2.134 444 3HD1 ILE 52 HD13 ILE 52 -8.843 4.635 -2.875 445 H ARG 53 HN ARG 53 -8.011 0.091 -7.204 446 HA ARG 53 HA ARG 53 -5.672 -1.425 -6.445 447 1HB ARG 53 HB2 ARG 53 -7.287 -1.906 -8.960 448 2HB ARG 53 HB1 ARG 53 -6.488 -3.091 -7.923 449 1HG ARG 53 HG2 ARG 53 -8.086 -2.312 -6.071 450 2HG ARG 53 HG1 ARG 53 -8.976 -1.489 -7.352 451 1HD ARG 53 HD2 ARG 53 -8.997 -3.763 -8.560 452 2HD ARG 53 HD1 ARG 53 -8.528 -4.450 -7.000 453 HE ARG 53 HE ARG 53 -10.728 -2.870 -6.406 454 1HH1 ARG 53 HH21 ARG 53 -9.972 -5.413 -8.607 455 2HH1 ARG 53 HH22 ARG 53 -11.588 -6.032 -8.657 456 1HH2 ARG 53 HH11 ARG 53 -12.845 -3.661 -6.460 457 2HH2 ARG 53 HH12 ARG 53 -13.215 -5.040 -7.441 458 H HIS 54 HN HIS 54 -6.469 0.547 -9.324 459 HA HIS 54 HA HIS 54 -4.148 -0.122 -10.839 460 1HB HIS 54 HB2 HIS 54 -5.782 2.427 -10.731 461 2HB HIS 54 HB1 HIS 54 -4.484 2.161 -11.893 462 HD1 HIS 54 HD1 HIS 54 -7.742 2.349 -12.346 463 HD2 HIS 54 HD2 HIS 54 -5.301 -1.019 -12.640 464 HE1 HIS 54 HE1 HIS 54 -8.953 0.715 -13.852 465 H ASN 55 HN ASN 55 -4.704 2.326 -8.337 466 HA ASN 55 HA ASN 55 -2.151 3.598 -8.521 467 1HB ASN 55 HB2 ASN 55 -4.050 3.227 -6.189 468 2HB ASN 55 HB1 ASN 55 -2.599 4.227 -6.108 469 1HD2 ASN 55 HD21 ASN 55 -5.443 5.140 -5.947 470 2HD2 ASN 55 HD22 ASN 55 -5.648 6.239 -7.223 471 H LEU 56 HN LEU 56 -3.287 0.758 -6.713 472 HA LEU 56 HA LEU 56 -0.793 0.338 -5.339 473 1HB LEU 56 HB2 LEU 56 -3.130 -1.476 -5.915 474 2HB LEU 56 HB1 LEU 56 -1.720 -2.013 -5.003 475 HG LEU 56 HG LEU 56 -3.375 0.423 -4.284 476 1HD1 LEU 56 HD11 LEU 56 -4.611 -1.781 -4.141 477 2HD1 LEU 56 HD12 LEU 56 -4.470 -0.914 -2.614 478 3HD1 LEU 56 HD13 LEU 56 -3.420 -2.292 -2.945 479 1HD2 LEU 56 HD21 LEU 56 -0.867 -0.765 -3.250 480 2HD2 LEU 56 HD22 LEU 56 -2.068 -0.472 -1.999 481 3HD2 LEU 56 HD23 LEU 56 -1.530 0.852 -3.025 482 H SER 57 HN SER 57 -2.146 -0.929 -8.366 483 HA SER 57 HA SER 57 0.081 -2.729 -8.827 484 1HB SER 57 HB2 SER 57 -0.942 -3.175 -10.934 485 2HB SER 57 HB1 SER 57 -2.272 -2.907 -9.810 486 HG SER 57 HG SER 57 -2.013 -0.602 -10.566 487 H LEU 58 HN LEU 58 -0.798 0.492 -10.112 488 HA LEU 58 HA LEU 58 1.495 0.679 -11.840 489 1HB LEU 58 HB2 LEU 58 -0.208 2.853 -10.605 490 2HB LEU 58 HB1 LEU 58 0.967 3.105 -11.894 491 HG LEU 58 HG LEU 58 -1.342 1.158 -12.090 492 1HD1 LEU 58 HD11 LEU 58 -1.116 4.031 -13.037 493 2HD1 LEU 58 HD12 LEU 58 -2.263 3.395 -11.859 494 3HD1 LEU 58 HD13 LEU 58 -2.385 2.919 -13.553 495 1HD2 LEU 58 HD21 LEU 58 0.775 2.158 -13.988 496 2HD2 LEU 58 HD22 LEU 58 -0.793 1.663 -14.621 497 3HD2 LEU 58 HD23 LEU 58 0.197 0.514 -13.729 498 H ASN 59 HN ASN 59 0.882 1.758 -8.511 499 HA ASN 59 HA ASN 59 3.365 3.175 -8.210 500 1HB ASN 59 HB2 ASN 59 1.524 1.844 -6.211 501 2HB ASN 59 HB1 ASN 59 2.919 2.811 -5.739 502 1HD2 ASN 59 HD21 ASN 59 0.063 3.459 -5.223 503 2HD2 ASN 59 HD22 ASN 59 -0.236 4.938 -5.999 504 H GLU 60 HN GLU 60 5.360 2.259 -8.251 505 HA GLU 60 HA GLU 60 5.629 -0.660 -7.933 506 1HB GLU 60 HB2 GLU 60 7.833 1.360 -8.414 507 2HB GLU 60 HB1 GLU 60 7.837 -0.361 -8.790 508 1HG GLU 60 HG2 GLU 60 7.372 0.572 -10.887 509 2HG GLU 60 HG1 GLU 60 5.752 0.220 -10.289 510 H CYS 61 HN CYS 61 5.782 2.083 -5.951 511 HA CYS 61 HA CYS 61 7.903 1.369 -4.168 512 1HB CYS 61 HB2 CYS 61 5.390 3.010 -3.804 513 2HB CYS 61 HB1 CYS 61 6.573 2.794 -2.513 514 HG CYS 61 HG CYS 61 7.503 4.840 -3.680 515 H PHE 62 HN PHE 62 4.443 0.519 -4.209 516 HA PHE 62 HA PHE 62 4.658 -0.975 -1.706 517 1HB PHE 62 HB2 PHE 62 2.473 -0.964 -3.810 518 2HB PHE 62 HB1 PHE 62 2.346 -1.695 -2.212 519 HD1 PHE 62 HD1 PHE 62 1.552 1.168 -4.036 520 HD2 PHE 62 HD2 PHE 62 3.135 -0.011 -0.224 521 HE1 PHE 62 HE1 PHE 62 0.875 3.352 -3.085 522 HE2 PHE 62 HE2 PHE 62 2.455 2.176 0.727 523 HZ PHE 62 HZ PHE 62 1.326 3.856 -0.700 524 H VAL 63 HN VAL 63 5.310 -3.044 -1.512 525 HA VAL 63 HA VAL 63 5.506 -4.748 -3.979 526 HB VAL 63 HB VAL 63 7.146 -4.857 -1.427 527 1HG1 VAL 63 HG11 VAL 63 8.535 -6.446 -2.822 528 2HG1 VAL 63 HG12 VAL 63 7.228 -6.441 -4.006 529 3HG1 VAL 63 HG13 VAL 63 6.942 -7.061 -2.380 530 1HG2 VAL 63 HG21 VAL 63 7.707 -2.895 -2.783 531 2HG2 VAL 63 HG22 VAL 63 7.837 -3.904 -4.224 532 3HG2 VAL 63 HG23 VAL 63 8.996 -4.093 -2.908 533 H LYS 64 HN LYS 64 4.134 -6.475 -3.945 534 HA LYS 64 HA LYS 64 2.791 -7.160 -1.390 535 1HB LYS 64 HB2 LYS 64 1.419 -8.663 -2.984 536 2HB LYS 64 HB1 LYS 64 1.220 -6.918 -3.119 537 1HG LYS 64 HG2 LYS 64 2.704 -6.828 -5.027 538 2HG LYS 64 HG1 LYS 64 3.125 -8.531 -4.836 539 1HD LYS 64 HD2 LYS 64 0.965 -9.258 -5.486 540 2HD LYS 64 HD1 LYS 64 0.263 -7.657 -5.253 541 1HE LYS 64 HE2 LYS 64 0.557 -8.120 -7.646 542 2HE LYS 64 HE1 LYS 64 1.613 -6.802 -7.143 543 1HZ LYS 64 HZ1 LYS 64 3.472 -8.122 -7.261 544 2HZ LYS 64 HZ2 LYS 64 2.557 -8.731 -8.557 545 3HZ LYS 64 HZ3 LYS 64 2.605 -9.570 -7.079 546 H VAL 65 HN VAL 65 2.726 -9.274 -0.577 547 HA VAL 65 HA VAL 65 4.896 -11.104 -1.537 548 HB VAL 65 HB VAL 65 4.304 -11.778 1.150 549 1HG1 VAL 65 HG11 VAL 65 6.523 -11.885 0.167 550 2HG1 VAL 65 HG12 VAL 65 6.571 -10.853 1.596 551 3HG1 VAL 65 HG13 VAL 65 6.563 -10.131 -0.014 552 1HG2 VAL 65 HG21 VAL 65 4.773 -8.793 0.994 553 2HG2 VAL 65 HG22 VAL 65 4.415 -9.766 2.420 554 3HG2 VAL 65 HG23 VAL 65 3.165 -9.477 1.215 555 HA PRO 66 HA PRO 66 0.799 -13.081 -2.541 556 1HB PRO 66 HB2 PRO 66 2.893 -14.936 -3.651 557 2HB PRO 66 HB1 PRO 66 1.322 -14.474 -4.341 558 1HG PRO 66 HG2 PRO 66 3.538 -13.350 -5.229 559 2HG PRO 66 HG1 PRO 66 2.076 -12.377 -4.983 560 1HD PRO 66 HD2 PRO 66 4.575 -12.466 -3.345 561 2HD PRO 66 HD1 PRO 66 3.459 -11.109 -3.616 562 H ARG 67 HN ARG 67 -0.018 -15.299 -2.090 563 HA ARG 67 HA ARG 67 0.906 -16.229 0.547 564 1HB ARG 67 HB2 ARG 67 -1.361 -17.153 -1.249 565 2HB ARG 67 HB1 ARG 67 -1.084 -17.713 0.399 566 1HG ARG 67 HG2 ARG 67 -1.489 -15.515 1.293 567 2HG ARG 67 HG1 ARG 67 -1.518 -14.803 -0.322 568 1HD ARG 67 HD2 ARG 67 -3.456 -16.930 0.629 569 2HD ARG 67 HD1 ARG 67 -3.810 -15.199 0.634 570 HE ARG 67 HE ARG 67 -3.035 -15.655 -1.964 571 1HH1 ARG 67 HH21 ARG 67 -5.277 -17.111 0.218 572 2HH1 ARG 67 HH22 ARG 67 -6.383 -17.581 -1.030 573 1HH2 ARG 67 HH11 ARG 67 -4.463 -16.250 -3.595 574 2HH2 ARG 67 HH12 ARG 67 -5.924 -17.089 -3.191 575 H ASP 68 HN ASP 68 0.723 -18.837 0.668 576 HA ASP 68 HA ASP 68 2.936 -19.866 -0.851 577 1HB ASP 68 HB2 ASP 68 0.764 -21.248 0.755 578 2HB ASP 68 HB1 ASP 68 2.131 -22.101 0.036 579 H ASP 69 HN ASP 69 2.863 -21.407 -2.611 580 HA ASP 69 HA ASP 69 0.821 -20.868 -4.555 581 1HB ASP 69 HB2 ASP 69 2.933 -23.034 -4.391 582 2HB ASP 69 HB1 ASP 69 1.875 -22.818 -5.786 583 H LYS 70 HN LYS 70 1.010 -23.121 -1.942 584 HA LYS 70 HA LYS 70 -1.129 -24.835 -3.084 585 1HB LYS 70 HB2 LYS 70 0.535 -25.035 -0.564 586 2HB LYS 70 HB1 LYS 70 -0.788 -26.136 -0.947 587 1HG LYS 70 HG2 LYS 70 0.317 -26.837 -2.995 588 2HG LYS 70 HG1 LYS 70 1.578 -25.629 -2.773 589 1HD LYS 70 HD2 LYS 70 2.517 -27.697 -2.029 590 2HD LYS 70 HD1 LYS 70 2.135 -26.785 -0.572 591 1HE LYS 70 HE2 LYS 70 1.452 -29.219 -0.507 592 2HE LYS 70 HE1 LYS 70 0.142 -28.088 -0.188 593 1HZ LYS 70 HZ1 LYS 70 0.057 -30.058 -2.011 594 2HZ LYS 70 HZ2 LYS 70 0.517 -28.737 -2.976 595 3HZ LYS 70 HZ3 LYS 70 -0.912 -28.666 -2.060 596 H LYS 71 HN LYS 71 -1.107 -21.929 -1.513 597 HA LYS 71 HA LYS 71 -3.714 -22.511 -0.163 598 1HB LYS 71 HB2 LYS 71 -1.907 -22.205 1.498 599 2HB LYS 71 HB1 LYS 71 -1.540 -20.628 0.795 600 1HG LYS 71 HG2 LYS 71 -3.725 -19.792 1.351 601 2HG LYS 71 HG1 LYS 71 -4.267 -21.392 1.847 602 1HD LYS 71 HD2 LYS 71 -2.373 -21.303 3.591 603 2HD LYS 71 HD1 LYS 71 -2.276 -19.580 3.224 604 1HE LYS 71 HE2 LYS 71 -3.769 -19.712 5.062 605 2HE LYS 71 HE1 LYS 71 -4.819 -19.531 3.657 606 1HZ LYS 71 HZ1 LYS 71 -4.555 -21.738 5.463 607 2HZ LYS 71 HZ2 LYS 71 -4.433 -22.214 3.837 608 3HZ LYS 71 HZ3 LYS 71 -5.807 -21.373 4.378 609 HA PRO 72 HA PRO 72 -4.281 -18.949 -3.044 610 1HB PRO 72 HB2 PRO 72 -6.078 -20.034 -4.715 611 2HB PRO 72 HB1 PRO 72 -4.359 -20.463 -4.827 612 1HG PRO 72 HG2 PRO 72 -6.620 -22.013 -3.663 613 2HG PRO 72 HG1 PRO 72 -5.207 -22.588 -4.565 614 1HD PRO 72 HD2 PRO 72 -5.481 -22.579 -1.742 615 2HD PRO 72 HD1 PRO 72 -3.969 -22.829 -2.641 616 H GLY 73 HN GLY 73 -6.820 -18.328 -3.921 617 1HA GLY 73 HA2 GLY 73 -9.155 -18.232 -3.185 618 2HA GLY 73 HA1 GLY 73 -8.622 -18.552 -1.540 619 H LYS 74 HN LYS 74 -7.547 -16.804 -0.384 620 HA LYS 74 HA LYS 74 -8.810 -14.269 -0.789 621 1HB LYS 74 HB2 LYS 74 -6.494 -15.122 0.953 622 2HB LYS 74 HB1 LYS 74 -7.195 -13.505 1.001 623 1HG LYS 74 HG2 LYS 74 -9.326 -14.336 1.696 624 2HG LYS 74 HG1 LYS 74 -8.883 -15.997 1.315 625 1HD LYS 74 HD2 LYS 74 -8.677 -15.928 3.650 626 2HD LYS 74 HD1 LYS 74 -7.021 -15.674 3.114 627 1HE LYS 74 HE2 LYS 74 -7.368 -14.012 4.762 628 2HE LYS 74 HE1 LYS 74 -7.565 -13.149 3.241 629 1HZ LYS 74 HZ1 LYS 74 -9.962 -14.384 4.307 630 2HZ LYS 74 HZ2 LYS 74 -9.751 -12.861 3.583 631 3HZ LYS 74 HZ3 LYS 74 -9.346 -13.092 5.217 632 H GLY 75 HN GLY 75 -7.574 -12.176 -0.948 633 1HA GLY 75 HA2 GLY 75 -6.041 -12.142 -3.394 634 2HA GLY 75 HA1 GLY 75 -6.332 -10.755 -2.345 635 H SER 76 HN SER 76 -3.894 -10.699 -3.286 636 HA SER 76 HA SER 76 -1.995 -12.280 -1.726 637 1HB SER 76 HB2 SER 76 -0.291 -11.046 -2.922 638 2HB SER 76 HB1 SER 76 -1.560 -11.470 -4.069 639 HG SER 76 HG SER 76 -1.282 -8.996 -2.696 640 H TYR 77 HN TYR 77 -0.222 -11.062 -0.500 641 HA TYR 77 HA TYR 77 -1.521 -9.222 1.418 642 1HB TYR 77 HB2 TYR 77 1.174 -10.600 1.368 643 2HB TYR 77 HB1 TYR 77 0.694 -9.475 2.632 644 HD1 TYR 77 HD1 TYR 77 0.919 -12.857 1.874 645 HD2 TYR 77 HD2 TYR 77 -1.841 -10.021 3.558 646 HE1 TYR 77 HE1 TYR 77 -0.239 -14.690 3.069 647 HE2 TYR 77 HE2 TYR 77 -3.002 -11.862 4.741 648 HH TYR 77 HH TYR 77 -3.264 -14.412 4.374 649 H TRP 78 HN TRP 78 -0.820 -7.095 1.762 650 HA TRP 78 HA TRP 78 1.141 -5.990 -0.228 651 1HB TRP 78 HB2 TRP 78 -1.438 -4.836 0.851 652 2HB TRP 78 HB1 TRP 78 -0.200 -3.827 0.101 653 HD1 TRP 78 HD1 TRP 78 -2.933 -6.287 -0.703 654 HE1 TRP 78 HE1 TRP 78 -3.119 -6.558 -3.261 655 HE3 TRP 78 HE3 TRP 78 1.277 -3.797 -2.159 656 HZ2 TRP 78 HZ2 TRP 78 -1.665 -5.813 -5.619 657 HZ3 TRP 78 HZ3 TRP 78 1.853 -3.590 -4.558 658 HH2 TRP 78 HH2 TRP 78 0.389 -4.593 -6.288 659 H THR 79 HN THR 79 2.738 -4.691 0.578 660 HA THR 79 HA THR 79 2.600 -3.705 3.361 661 HB THR 79 HB THR 79 3.533 -5.961 3.621 662 HG1 THR 79 HG1 THR 79 5.089 -5.265 4.877 663 1HG2 THR 79 HG21 THR 79 5.618 -6.585 2.487 664 2HG2 THR 79 HG22 THR 79 5.641 -5.036 1.647 665 3HG2 THR 79 HG23 THR 79 4.368 -6.206 1.303 666 H LEU 80 HN LEU 80 4.605 -2.313 3.809 667 HA LEU 80 HA LEU 80 5.021 -0.534 1.561 668 1HB LEU 80 HB2 LEU 80 6.425 -0.668 4.249 669 2HB LEU 80 HB1 LEU 80 6.576 0.656 3.097 670 HG LEU 80 HG LEU 80 3.975 -0.249 4.369 671 1HD1 LEU 80 HD11 LEU 80 4.190 2.026 5.510 672 2HD1 LEU 80 HD12 LEU 80 5.872 2.028 4.975 673 3HD1 LEU 80 HD13 LEU 80 5.297 0.774 6.075 674 1HD2 LEU 80 HD21 LEU 80 3.379 2.168 3.443 675 2HD2 LEU 80 HD22 LEU 80 3.305 0.770 2.380 676 3HD2 LEU 80 HD23 LEU 80 4.703 1.840 2.326 677 H ASP 81 HN ASP 81 7.321 0.089 0.892 678 HA ASP 81 HA ASP 81 8.570 -2.126 -0.335 679 1HB ASP 81 HB2 ASP 81 8.798 0.299 -0.996 680 2HB ASP 81 HB1 ASP 81 9.929 0.488 0.345 681 HA PRO 82 HA PRO 82 10.922 -3.460 3.315 682 1HB PRO 82 HB2 PRO 82 11.952 -5.742 2.354 683 2HB PRO 82 HB1 PRO 82 10.198 -5.577 2.578 684 1HG PRO 82 HG2 PRO 82 11.810 -5.279 0.074 685 2HG PRO 82 HG1 PRO 82 10.311 -6.190 0.336 686 1HD PRO 82 HD2 PRO 82 10.363 -3.649 -0.737 687 2HD PRO 82 HD1 PRO 82 8.979 -4.306 0.168 688 H ASP 83 HN ASP 83 13.420 -4.904 2.879 689 HA ASP 83 HA ASP 83 15.199 -2.638 2.445 690 1HB ASP 83 HB2 ASP 83 15.707 -5.590 2.935 691 2HB ASP 83 HB1 ASP 83 16.995 -4.394 2.777 692 H SER 84 HN SER 84 14.245 -2.362 0.206 693 HA SER 84 HA SER 84 14.796 -4.284 -1.856 694 1HB SER 84 HB2 SER 84 13.945 -2.664 -3.344 695 2HB SER 84 HB1 SER 84 13.105 -2.333 -1.830 696 HG SER 84 HG SER 84 13.902 -0.402 -2.563 697 H TYR 85 HN TYR 85 16.804 -1.968 -0.267 698 HA TYR 85 HA TYR 85 18.608 -1.390 -2.412 699 1HB TYR 85 HB2 TYR 85 19.960 -1.589 0.192 700 2HB TYR 85 HB1 TYR 85 19.711 -0.177 -0.827 701 HD1 TYR 85 HD1 TYR 85 18.523 -2.083 2.027 702 HD2 TYR 85 HD2 TYR 85 17.572 1.124 -0.669 703 HE1 TYR 85 HE1 TYR 85 16.789 -1.271 3.605 704 HE2 TYR 85 HE2 TYR 85 15.834 1.932 0.907 705 HH TYR 85 HH TYR 85 14.404 0.896 2.758 706 H ASN 86 HN ASN 86 18.316 -4.124 -0.221 707 HA ASN 86 HA ASN 86 20.781 -5.358 -1.339 708 1HB ASN 86 HB2 ASN 86 18.936 -6.245 0.894 709 2HB ASN 86 HB1 ASN 86 20.426 -7.062 0.421 710 1HD2 ASN 86 HD21 ASN 86 22.174 -4.920 0.014 711 2HD2 ASN 86 HD22 ASN 86 22.381 -4.057 1.461 712 H MET 87 HN MET 87 18.023 -5.020 -2.661 713 HA MET 87 HA MET 87 16.624 -7.409 -2.975 714 1HB MET 87 HB2 MET 87 15.989 -6.608 -5.171 715 2HB MET 87 HB1 MET 87 16.115 -5.217 -4.100 716 1HG MET 87 HG2 MET 87 18.692 -5.371 -5.062 717 2HG MET 87 HG1 MET 87 17.775 -5.938 -6.453 718 1HE MET 87 HE1 MET 87 18.930 -3.164 -4.288 719 2HE MET 87 HE2 MET 87 18.593 -1.766 -5.308 720 3HE MET 87 HE3 MET 87 19.580 -3.086 -5.931 721 H PHE 88 HN PHE 88 16.775 -8.796 -5.110 722 HA PHE 88 HA PHE 88 19.437 -10.038 -5.110 723 1HB PHE 88 HB2 PHE 88 17.016 -10.694 -6.820 724 2HB PHE 88 HB1 PHE 88 18.416 -11.727 -6.535 725 HD1 PHE 88 HD1 PHE 88 15.257 -10.486 -5.200 726 HD2 PHE 88 HD2 PHE 88 18.827 -12.686 -4.265 727 HE1 PHE 88 HE1 PHE 88 14.165 -11.394 -3.167 728 HE2 PHE 88 HE2 PHE 88 17.735 -13.593 -2.230 729 HZ PHE 88 HZ PHE 88 15.404 -12.946 -1.681 730 H GLU 89 HN GLU 89 20.398 -7.940 -6.002 731 HA GLU 89 HA GLU 89 19.770 -7.060 -8.656 732 1HB GLU 89 HB2 GLU 89 22.008 -5.950 -8.569 733 2HB GLU 89 HB1 GLU 89 21.019 -5.617 -7.147 734 1HG GLU 89 HG2 GLU 89 22.203 -7.385 -5.901 735 2HG GLU 89 HG1 GLU 89 23.191 -7.728 -7.323 736 H ASN 90 HN ASN 90 20.675 -7.617 -10.639 737 HA ASN 90 HA ASN 90 22.025 -10.259 -10.720 738 1HB ASN 90 HB2 ASN 90 20.717 -8.539 -12.843 739 2HB ASN 90 HB1 ASN 90 21.554 -10.049 -13.200 740 1HD2 ASN 90 HD21 ASN 90 18.682 -9.600 -13.599 741 2HD2 ASN 90 HD22 ASN 90 17.866 -10.681 -12.578 742 H GLY 91 HN GLY 91 23.198 -7.370 -10.210 743 1HA GLY 91 HA2 GLY 91 25.757 -7.937 -11.432 744 2HA GLY 91 HA1 GLY 91 24.934 -6.625 -12.273 745 H SER 92 HN SER 92 25.714 -4.711 -11.590 746 HA SER 92 HA SER 92 26.048 -4.244 -8.651 747 1HB SER 92 HB2 SER 92 28.160 -3.190 -8.974 748 2HB SER 92 HB1 SER 92 28.250 -4.685 -9.900 749 HG SER 92 HG SER 92 28.607 -2.244 -10.773 750 H PHE 93 HN PHE 93 23.780 -3.500 -10.070 751 HA PHE 93 HA PHE 93 23.854 -0.945 -11.296 752 1HB PHE 93 HB2 PHE 93 21.894 -2.407 -11.416 753 2HB PHE 93 HB1 PHE 93 21.627 -2.214 -9.683 754 HD1 PHE 93 HD1 PHE 93 21.503 -0.531 -12.971 755 HD2 PHE 93 HD2 PHE 93 20.768 -0.143 -8.756 756 HE1 PHE 93 HE1 PHE 93 20.207 1.544 -13.385 757 HE2 PHE 93 HE2 PHE 93 19.475 1.931 -9.170 758 HZ PHE 93 HZ PHE 93 19.195 2.775 -11.486 759 H LEU 94 HN LEU 94 23.483 -1.784 -7.834 760 HA LEU 94 HA LEU 94 22.903 0.857 -6.956 761 1HB LEU 94 HB2 LEU 94 22.661 -1.118 -5.498 762 2HB LEU 94 HB1 LEU 94 24.409 -1.332 -5.491 763 HG LEU 94 HG LEU 94 24.669 0.893 -4.426 764 1HD1 LEU 94 HD11 LEU 94 21.671 0.906 -4.744 765 2HD1 LEU 94 HD12 LEU 94 22.829 2.192 -5.087 766 3HD1 LEU 94 HD13 LEU 94 22.421 1.800 -3.422 767 1HD2 LEU 94 HD21 LEU 94 22.686 -0.875 -2.963 768 2HD2 LEU 94 HD22 LEU 94 23.835 0.244 -2.230 769 3HD2 LEU 94 HD23 LEU 94 24.418 -1.193 -3.070 Start of MODEL 24 1 1H MET 1 HT1 MET 1 -24.951 16.394 3.454 2 2H MET 1 HT2 MET 1 -23.991 16.744 2.096 3 3H MET 1 HT3 MET 1 -25.123 17.882 2.657 4 HA MET 1 HA MET 1 -23.151 18.723 3.469 5 1HB MET 1 HB2 MET 1 -24.994 18.132 5.222 6 2HB MET 1 HB1 MET 1 -23.878 16.873 5.742 7 1HG MET 1 HG2 MET 1 -23.198 18.620 7.115 8 2HG MET 1 HG1 MET 1 -22.133 18.891 5.737 9 1HE MET 1 HE1 MET 1 -21.784 20.986 6.845 10 2HE MET 1 HE2 MET 1 -22.667 22.464 6.473 11 3HE MET 1 HE3 MET 1 -21.853 21.583 5.182 12 H LEU 2 HN LEU 2 -22.821 15.885 2.209 13 HA LEU 2 HA LEU 2 -20.547 14.815 3.751 14 1HB LEU 2 HB2 LEU 2 -21.578 13.987 1.020 15 2HB LEU 2 HB1 LEU 2 -20.506 13.061 2.068 16 HG LEU 2 HG LEU 2 -23.361 13.845 2.727 17 1HD1 LEU 2 HD11 LEU 2 -23.299 12.129 1.009 18 2HD1 LEU 2 HD12 LEU 2 -23.748 11.376 2.540 19 3HD1 LEU 2 HD13 LEU 2 -22.105 11.207 1.920 20 1HD2 LEU 2 HD21 LEU 2 -22.268 13.681 4.809 21 2HD2 LEU 2 HD22 LEU 2 -21.186 12.406 4.249 22 3HD2 LEU 2 HD23 LEU 2 -22.883 12.048 4.569 23 H VAL 3 HN VAL 3 -18.379 14.850 2.999 24 HA VAL 3 HA VAL 3 -17.793 16.411 0.539 25 HB VAL 3 HB VAL 3 -16.036 17.693 1.894 26 1HG1 VAL 3 HG11 VAL 3 -17.636 19.402 2.546 27 2HG1 VAL 3 HG12 VAL 3 -18.942 18.219 2.578 28 3HG1 VAL 3 HG13 VAL 3 -18.187 18.659 1.046 29 1HG2 VAL 3 HG21 VAL 3 -17.818 16.746 4.163 30 2HG2 VAL 3 HG22 VAL 3 -16.518 17.928 4.301 31 3HG2 VAL 3 HG23 VAL 3 -16.145 16.250 3.906 32 H LYS 4 HN LYS 4 -15.883 15.791 -0.446 33 HA LYS 4 HA LYS 4 -14.734 13.267 0.442 34 1HB LYS 4 HB2 LYS 4 -13.692 15.068 -1.758 35 2HB LYS 4 HB1 LYS 4 -13.476 13.325 -1.602 36 1HG LYS 4 HG2 LYS 4 -16.129 14.729 -2.047 37 2HG LYS 4 HG1 LYS 4 -15.206 13.876 -3.284 38 1HD LYS 4 HD2 LYS 4 -15.325 11.839 -1.687 39 2HD LYS 4 HD1 LYS 4 -16.602 12.734 -0.862 40 1HE LYS 4 HE2 LYS 4 -16.565 11.812 -3.745 41 2HE LYS 4 HE1 LYS 4 -17.692 11.335 -2.475 42 1HZ LYS 4 HZ1 LYS 4 -17.765 13.607 -4.188 43 2HZ LYS 4 HZ2 LYS 4 -17.828 14.069 -2.554 44 3HZ LYS 4 HZ3 LYS 4 -18.975 12.982 -3.177 45 HA PRO 5 HA PRO 5 -11.521 15.273 2.821 46 1HB PRO 5 HB2 PRO 5 -9.817 13.220 3.222 47 2HB PRO 5 HB1 PRO 5 -11.425 13.248 3.971 48 1HG PRO 5 HG2 PRO 5 -10.539 11.844 1.482 49 2HG PRO 5 HG1 PRO 5 -11.494 11.216 2.838 50 1HD PRO 5 HD2 PRO 5 -12.660 12.073 0.528 51 2HD PRO 5 HD1 PRO 5 -13.455 12.244 2.110 52 HA PRO 6 HA PRO 6 -8.345 16.396 -0.097 53 1HB PRO 6 HB2 PRO 6 -6.387 17.350 1.513 54 2HB PRO 6 HB1 PRO 6 -7.956 18.168 1.366 55 1HG PRO 6 HG2 PRO 6 -6.998 16.305 3.501 56 2HG PRO 6 HG1 PRO 6 -7.861 17.846 3.663 57 1HD PRO 6 HD2 PRO 6 -9.133 15.420 3.807 58 2HD PRO 6 HD1 PRO 6 -9.928 16.894 3.209 59 H TYR 7 HN TYR 7 -7.876 13.754 2.003 60 HA TYR 7 HA TYR 7 -5.103 13.184 1.480 61 1HB TYR 7 HB2 TYR 7 -7.264 11.124 1.983 62 2HB TYR 7 HB1 TYR 7 -5.548 10.992 2.355 63 HD1 TYR 7 HD1 TYR 7 -8.581 11.375 3.888 64 HD2 TYR 7 HD2 TYR 7 -4.737 13.292 3.763 65 HE1 TYR 7 HE1 TYR 7 -9.013 12.377 6.107 66 HE2 TYR 7 HE2 TYR 7 -5.164 14.287 5.992 67 HH TYR 7 HH TYR 7 -6.936 13.395 8.097 68 H SER 8 HN SER 8 -4.170 12.318 -0.323 69 HA SER 8 HA SER 8 -5.753 11.987 -2.728 70 1HB SER 8 HB2 SER 8 -3.346 12.737 -2.691 71 2HB SER 8 HB1 SER 8 -2.896 11.095 -2.236 72 HG SER 8 HG SER 8 -4.586 11.095 -4.341 73 H TYR 9 HN TYR 9 -5.752 9.900 -3.987 74 HA TYR 9 HA TYR 9 -6.792 7.756 -2.425 75 1HB TYR 9 HB2 TYR 9 -5.673 7.814 -5.243 76 2HB TYR 9 HB1 TYR 9 -6.464 6.400 -4.542 77 HD1 TYR 9 HD1 TYR 9 -8.846 6.550 -3.788 78 HD2 TYR 9 HD2 TYR 9 -6.942 9.711 -5.983 79 HE1 TYR 9 HE1 TYR 9 -11.066 7.513 -4.318 80 HE2 TYR 9 HE2 TYR 9 -9.163 10.677 -6.516 81 HH TYR 9 HH TYR 9 -11.668 9.556 -6.678 82 H ILE 10 HN ILE 10 -3.542 8.493 -3.569 83 HA ILE 10 HA ILE 10 -2.366 5.952 -2.844 84 HB ILE 10 HB ILE 10 -1.077 8.699 -3.007 85 1HG1 ILE 10 HG12 ILE 10 -2.148 8.197 -5.125 86 2HG1 ILE 10 HG11 ILE 10 -0.413 7.960 -5.309 87 1HG2 ILE 10 HG21 ILE 10 0.437 7.256 -1.902 88 2HG2 ILE 10 HG22 ILE 10 0.950 7.219 -3.588 89 3HG2 ILE 10 HG23 ILE 10 0.009 5.884 -2.922 90 1HD1 ILE 10 HD11 ILE 10 -0.954 5.465 -4.694 91 2HD1 ILE 10 HD12 ILE 10 -1.284 6.044 -6.325 92 3HD1 ILE 10 HD13 ILE 10 -2.598 5.900 -5.162 93 H ALA 11 HN ALA 11 -2.815 9.054 -1.184 94 HA ALA 11 HA ALA 11 -1.354 8.379 1.192 95 1HB ALA 11 HB1 ALA 11 -3.735 10.245 1.032 96 2HB ALA 11 HB2 ALA 11 -2.130 10.694 0.456 97 3HB ALA 11 HB3 ALA 11 -2.381 10.320 2.161 98 H LEU 12 HN LEU 12 -4.813 8.073 0.361 99 HA LEU 12 HA LEU 12 -5.678 7.124 2.908 100 1HB LEU 12 HB2 LEU 12 -6.707 6.563 0.110 101 2HB LEU 12 HB1 LEU 12 -7.544 6.044 1.569 102 HG LEU 12 HG LEU 12 -6.789 8.932 1.027 103 1HD1 LEU 12 HD11 LEU 12 -8.360 8.012 -0.697 104 2HD1 LEU 12 HD12 LEU 12 -9.080 9.283 0.291 105 3HD1 LEU 12 HD13 LEU 12 -9.477 7.592 0.600 106 1HD2 LEU 12 HD21 LEU 12 -8.807 9.171 2.695 107 2HD2 LEU 12 HD22 LEU 12 -7.223 8.750 3.331 108 3HD2 LEU 12 HD23 LEU 12 -8.443 7.497 3.109 109 H ILE 13 HN ILE 13 -4.324 5.451 0.094 110 HA ILE 13 HA ILE 13 -4.588 2.794 1.200 111 HB ILE 13 HB ILE 13 -2.753 3.946 -0.921 112 1HG1 ILE 13 HG12 ILE 13 -5.185 2.155 -1.191 113 2HG1 ILE 13 HG11 ILE 13 -5.256 3.910 -1.327 114 1HG2 ILE 13 HG21 ILE 13 -1.660 1.975 -0.104 115 2HG2 ILE 13 HG22 ILE 13 -2.502 1.492 -1.575 116 3HG2 ILE 13 HG23 ILE 13 -3.185 1.094 0.002 117 1HD1 ILE 13 HD11 ILE 13 -3.759 1.975 -3.108 118 2HD1 ILE 13 HD12 ILE 13 -3.463 3.714 -3.134 119 3HD1 ILE 13 HD13 ILE 13 -5.053 3.084 -3.563 120 H THR 14 HN THR 14 -2.015 5.247 1.213 121 HA THR 14 HA THR 14 -0.062 3.597 2.521 122 HB THR 14 HB THR 14 -0.331 6.609 2.468 123 HG1 THR 14 HG1 THR 14 0.254 6.343 0.491 124 1HG2 THR 14 HG21 THR 14 1.188 6.152 4.203 125 2HG2 THR 14 HG22 THR 14 2.228 6.371 2.798 126 3HG2 THR 14 HG23 THR 14 1.858 4.747 3.374 127 H MET 15 HN MET 15 -2.496 5.877 3.770 128 HA MET 15 HA MET 15 -1.606 5.658 6.510 129 1HB MET 15 HB2 MET 15 -4.227 6.565 5.300 130 2HB MET 15 HB1 MET 15 -3.892 6.611 7.031 131 1HG MET 15 HG2 MET 15 -1.847 7.987 6.528 132 2HG MET 15 HG1 MET 15 -2.367 8.055 4.846 133 1HE MET 15 HE1 MET 15 -4.449 8.759 4.038 134 2HE MET 15 HE2 MET 15 -5.467 10.039 4.690 135 3HE MET 15 HE3 MET 15 -5.717 8.373 5.207 136 H ALA 16 HN ALA 16 -3.998 3.938 4.564 137 HA ALA 16 HA ALA 16 -5.286 2.493 6.629 138 1HB ALA 16 HB1 ALA 16 -4.648 1.711 3.772 139 2HB ALA 16 HB2 ALA 16 -6.143 2.432 4.368 140 3HB ALA 16 HB3 ALA 16 -5.716 0.782 4.825 141 H ILE 17 HN ILE 17 -2.313 1.712 4.818 142 HA ILE 17 HA ILE 17 -1.839 -0.841 5.990 143 HB ILE 17 HB ILE 17 0.175 1.238 5.066 144 1HG1 ILE 17 HG12 ILE 17 -0.999 -1.115 3.567 145 2HG1 ILE 17 HG11 ILE 17 -1.621 0.527 3.434 146 1HG2 ILE 17 HG21 ILE 17 0.381 -1.758 5.511 147 2HG2 ILE 17 HG22 ILE 17 1.262 -0.501 6.381 148 3HG2 ILE 17 HG23 ILE 17 1.600 -0.796 4.676 149 1HD1 ILE 17 HD11 ILE 17 1.199 -0.374 2.774 150 2HD1 ILE 17 HD12 ILE 17 0.635 1.297 2.717 151 3HD1 ILE 17 HD13 ILE 17 -0.041 0.099 1.613 152 H GLN 18 HN GLN 18 -0.736 2.398 6.941 153 HA GLN 18 HA GLN 18 0.658 1.518 9.305 154 1HB GLN 18 HB2 GLN 18 -0.487 4.216 8.533 155 2HB GLN 18 HB1 GLN 18 0.510 3.950 9.962 156 1HG GLN 18 HG2 GLN 18 1.370 3.279 7.137 157 2HG GLN 18 HG1 GLN 18 1.813 4.763 7.980 158 1HE2 GLN 18 HE21 GLN 18 3.132 1.881 7.190 159 2HE2 GLN 18 HE22 GLN 18 4.123 1.610 8.541 160 H ASN 19 HN ASN 19 -2.634 2.725 8.740 161 HA ASN 19 HA ASN 19 -3.349 2.712 11.551 162 1HB ASN 19 HB2 ASN 19 -4.991 2.856 9.012 163 2HB ASN 19 HB1 ASN 19 -5.698 2.943 10.627 164 1HD2 ASN 19 HD21 ASN 19 -4.588 4.896 8.155 165 2HD2 ASN 19 HD22 ASN 19 -4.181 6.275 9.056 166 H ALA 20 HN ALA 20 -3.018 0.243 9.218 167 HA ALA 20 HA ALA 20 -5.090 -1.508 10.284 168 1HB ALA 20 HB1 ALA 20 -3.867 -3.243 8.877 169 2HB ALA 20 HB2 ALA 20 -2.741 -1.965 8.426 170 3HB ALA 20 HB3 ALA 20 -4.445 -1.833 7.990 171 HA PRO 21 HA PRO 21 -2.757 -3.141 13.707 172 1HB PRO 21 HB2 PRO 21 -3.685 -5.742 13.785 173 2HB PRO 21 HB1 PRO 21 -4.616 -4.350 14.372 174 1HG PRO 21 HG2 PRO 21 -4.815 -5.786 11.761 175 2HG PRO 21 HG1 PRO 21 -6.106 -5.176 12.812 176 1HD PRO 21 HD2 PRO 21 -5.328 -3.833 10.588 177 2HD PRO 21 HD1 PRO 21 -5.880 -2.982 12.048 178 H GLU 22 HN GLU 22 -2.923 -5.180 10.811 179 HA GLU 22 HA GLU 22 -0.036 -5.912 11.189 180 1HB GLU 22 HB2 GLU 22 -0.577 -7.935 9.808 181 2HB GLU 22 HB1 GLU 22 -1.423 -7.912 11.354 182 1HG GLU 22 HG2 GLU 22 -3.405 -6.907 10.178 183 2HG GLU 22 HG1 GLU 22 -2.560 -7.154 8.649 184 H LYS 23 HN LYS 23 1.281 -5.252 9.535 185 HA LYS 23 HA LYS 23 0.229 -3.478 7.531 186 1HB LYS 23 HB2 LYS 23 2.951 -4.791 7.788 187 2HB LYS 23 HB1 LYS 23 2.567 -3.503 6.643 188 1HG LYS 23 HG2 LYS 23 1.921 -2.029 8.518 189 2HG LYS 23 HG1 LYS 23 2.312 -3.313 9.661 190 1HD LYS 23 HD2 LYS 23 4.654 -3.303 8.861 191 2HD LYS 23 HD1 LYS 23 4.255 -2.000 7.741 192 1HE LYS 23 HE2 LYS 23 3.894 -1.818 10.744 193 2HE LYS 23 HE1 LYS 23 5.300 -1.195 9.880 194 1HZ LYS 23 HZ1 LYS 23 3.837 0.604 10.101 195 2HZ LYS 23 HZ2 LYS 23 2.482 -0.319 9.659 196 3HZ LYS 23 HZ3 LYS 23 3.650 0.091 8.496 197 H LYS 24 HN LYS 24 0.709 -6.911 7.612 198 HA LYS 24 HA LYS 24 0.756 -7.214 4.700 199 1HB LYS 24 HB2 LYS 24 0.395 -9.192 6.967 200 2HB LYS 24 HB1 LYS 24 0.395 -9.662 5.266 201 1HG LYS 24 HG2 LYS 24 2.654 -8.697 5.002 202 2HG LYS 24 HG1 LYS 24 2.653 -8.238 6.706 203 1HD LYS 24 HD2 LYS 24 2.410 -10.611 7.347 204 2HD LYS 24 HD1 LYS 24 2.417 -11.069 5.645 205 1HE LYS 24 HE2 LYS 24 4.678 -10.208 5.370 206 2HE LYS 24 HE1 LYS 24 4.679 -9.598 7.025 207 1HZ LYS 24 HZ1 LYS 24 3.968 -12.283 7.133 208 2HZ LYS 24 HZ2 LYS 24 5.406 -11.564 7.684 209 3HZ LYS 24 HZ3 LYS 24 5.312 -12.180 6.103 210 H ILE 25 HN ILE 25 -1.463 -5.678 5.830 211 HA ILE 25 HA ILE 25 -3.876 -7.144 6.022 212 HB ILE 25 HB ILE 25 -3.719 -4.747 6.561 213 1HG1 ILE 25 HG12 ILE 25 -5.640 -5.127 4.251 214 2HG1 ILE 25 HG11 ILE 25 -5.906 -5.838 5.844 215 1HG2 ILE 25 HG21 ILE 25 -2.173 -4.156 4.694 216 2HG2 ILE 25 HG22 ILE 25 -3.565 -3.077 4.786 217 3HG2 ILE 25 HG23 ILE 25 -3.512 -4.344 3.561 218 1HD1 ILE 25 HD11 ILE 25 -5.510 -2.878 5.313 219 2HD1 ILE 25 HD12 ILE 25 -5.858 -3.619 6.874 220 3HD1 ILE 25 HD13 ILE 25 -7.069 -3.654 5.593 221 H THR 26 HN THR 26 -5.527 -7.540 4.401 222 HA THR 26 HA THR 26 -4.388 -8.408 1.852 223 HB THR 26 HB THR 26 -6.677 -9.236 1.397 224 HG1 THR 26 HG1 THR 26 -7.601 -7.387 2.615 225 1HG2 THR 26 HG21 THR 26 -5.500 -9.780 4.126 226 2HG2 THR 26 HG22 THR 26 -5.320 -10.737 2.655 227 3HG2 THR 26 HG23 THR 26 -6.871 -10.687 3.491 228 H LEU 27 HN LEU 27 -5.395 -7.796 -0.230 229 HA LEU 27 HA LEU 27 -5.372 -4.985 -0.653 230 1HB LEU 27 HB2 LEU 27 -4.952 -6.670 -2.424 231 2HB LEU 27 HB1 LEU 27 -6.631 -7.183 -2.332 232 HG LEU 27 HG LEU 27 -7.360 -4.923 -3.061 233 1HD1 LEU 27 HD11 LEU 27 -5.384 -3.509 -4.048 234 2HD1 LEU 27 HD12 LEU 27 -4.388 -4.423 -2.918 235 3HD1 LEU 27 HD13 LEU 27 -5.711 -3.420 -2.321 236 1HD2 LEU 27 HD21 LEU 27 -6.754 -5.200 -5.348 237 2HD2 LEU 27 HD22 LEU 27 -6.728 -6.825 -4.663 238 3HD2 LEU 27 HD23 LEU 27 -5.217 -5.955 -4.928 239 H ASN 28 HN ASN 28 -8.105 -7.281 -0.525 240 HA ASN 28 HA ASN 28 -10.193 -5.370 -0.812 241 1HB ASN 28 HB2 ASN 28 -10.109 -8.061 0.572 242 2HB ASN 28 HB1 ASN 28 -11.593 -7.133 0.350 243 1HD2 ASN 28 HD21 ASN 28 -11.910 -6.387 -2.078 244 2HD2 ASN 28 HD22 ASN 28 -11.548 -7.552 -3.257 245 H GLY 29 HN GLY 29 -8.523 -6.566 2.095 246 1HA GLY 29 HA2 GLY 29 -10.173 -5.403 4.057 247 2HA GLY 29 HA1 GLY 29 -8.434 -5.633 4.251 248 H ILE 30 HN ILE 30 -7.602 -3.923 2.107 249 HA ILE 30 HA ILE 30 -7.509 -1.414 3.444 250 HB ILE 30 HB ILE 30 -7.057 -2.072 0.517 251 1HG1 ILE 30 HG12 ILE 30 -5.057 -1.642 2.754 252 2HG1 ILE 30 HG11 ILE 30 -5.625 -3.236 2.258 253 1HG2 ILE 30 HG21 ILE 30 -5.676 0.055 0.609 254 2HG2 ILE 30 HG22 ILE 30 -6.433 0.393 2.165 255 3HG2 ILE 30 HG23 ILE 30 -7.420 0.304 0.706 256 1HD1 ILE 30 HD11 ILE 30 -3.523 -2.719 1.115 257 2HD1 ILE 30 HD12 ILE 30 -4.208 -1.217 0.493 258 3HD1 ILE 30 HD13 ILE 30 -4.841 -2.769 -0.056 259 H TYR 31 HN TYR 31 -9.599 -2.561 0.792 260 HA TYR 31 HA TYR 31 -10.897 -0.075 0.270 261 1HB TYR 31 HB2 TYR 31 -11.807 -2.945 -0.007 262 2HB TYR 31 HB1 TYR 31 -12.844 -1.595 -0.470 263 HD1 TYR 31 HD1 TYR 31 -9.354 -2.825 -0.928 264 HD2 TYR 31 HD2 TYR 31 -12.676 -0.760 -2.665 265 HE1 TYR 31 HE1 TYR 31 -8.119 -2.676 -3.070 266 HE2 TYR 31 HE2 TYR 31 -11.446 -0.604 -4.810 267 HH TYR 31 HH TYR 31 -9.669 -1.566 -5.986 268 H GLN 32 HN GLN 32 -11.709 -2.655 2.588 269 HA GLN 32 HA GLN 32 -14.132 -1.527 3.555 270 1HB GLN 32 HB2 GLN 32 -13.325 -3.839 4.053 271 2HB GLN 32 HB1 GLN 32 -12.110 -3.147 5.129 272 1HG GLN 32 HG2 GLN 32 -13.879 -2.122 6.493 273 2HG GLN 32 HG1 GLN 32 -15.106 -2.782 5.412 274 1HE2 GLN 32 HE21 GLN 32 -12.180 -4.133 7.056 275 2HE2 GLN 32 HE22 GLN 32 -12.979 -5.504 7.660 276 H PHE 33 HN PHE 33 -10.768 -0.990 4.538 277 HA PHE 33 HA PHE 33 -11.268 0.613 6.829 278 1HB PHE 33 HB2 PHE 33 -9.051 -0.291 6.243 279 2HB PHE 33 HB1 PHE 33 -8.987 0.764 4.835 280 HD1 PHE 33 HD1 PHE 33 -8.640 3.165 5.067 281 HD2 PHE 33 HD2 PHE 33 -8.823 0.608 8.513 282 HE1 PHE 33 HE1 PHE 33 -7.686 4.980 6.462 283 HE2 PHE 33 HE2 PHE 33 -7.872 2.424 9.910 284 HZ PHE 33 HZ PHE 33 -7.301 4.609 8.883 285 H ILE 34 HN ILE 34 -10.853 1.571 3.410 286 HA ILE 34 HA ILE 34 -11.132 4.382 3.869 287 HB ILE 34 HB ILE 34 -11.630 2.659 1.433 288 1HG1 ILE 34 HG12 ILE 34 -9.419 4.656 1.955 289 2HG1 ILE 34 HG11 ILE 34 -9.290 2.975 2.472 290 1HG2 ILE 34 HG21 ILE 34 -11.793 5.655 1.800 291 2HG2 ILE 34 HG22 ILE 34 -12.959 4.585 1.023 292 3HG2 ILE 34 HG23 ILE 34 -11.423 4.935 0.233 293 1HD1 ILE 34 HD11 ILE 34 -9.770 3.922 -0.366 294 2HD1 ILE 34 HD12 ILE 34 -9.688 2.237 0.144 295 3HD1 ILE 34 HD13 ILE 34 -8.261 3.266 0.264 296 H MET 35 HN MET 35 -13.561 1.966 2.797 297 HA MET 35 HA MET 35 -15.719 3.818 2.673 298 1HB MET 35 HB2 MET 35 -15.676 0.827 3.110 299 2HB MET 35 HB1 MET 35 -17.166 1.749 2.895 300 1HG MET 35 HG2 MET 35 -16.249 2.625 0.733 301 2HG MET 35 HG1 MET 35 -14.862 1.558 0.938 302 1HE MET 35 HE1 MET 35 -15.828 -1.201 1.963 303 2HE MET 35 HE2 MET 35 -14.731 -0.762 0.656 304 3HE MET 35 HE3 MET 35 -16.027 -1.919 0.359 305 H ASP 36 HN ASP 36 -14.646 1.728 5.375 306 HA ASP 36 HA ASP 36 -16.819 2.510 7.096 307 1HB ASP 36 HB2 ASP 36 -14.115 1.287 7.669 308 2HB ASP 36 HB1 ASP 36 -15.327 1.577 8.918 309 H ARG 37 HN ARG 37 -13.489 3.745 6.726 310 HA ARG 37 HA ARG 37 -13.687 5.567 8.956 311 1HB ARG 37 HB2 ARG 37 -11.897 5.572 6.509 312 2HB ARG 37 HB1 ARG 37 -11.698 6.663 7.878 313 1HG ARG 37 HG2 ARG 37 -11.800 3.676 8.291 314 2HG ARG 37 HG1 ARG 37 -10.301 4.469 7.830 315 1HD ARG 37 HD2 ARG 37 -10.578 5.998 9.815 316 2HD ARG 37 HD1 ARG 37 -11.947 5.003 10.319 317 HE ARG 37 HE ARG 37 -9.935 3.157 9.989 318 1HH1 ARG 37 HH21 ARG 37 -10.265 6.163 11.650 319 2HH1 ARG 37 HH22 ARG 37 -9.187 5.721 12.931 320 1HH2 ARG 37 HH11 ARG 37 -8.531 2.566 11.647 321 2HH2 ARG 37 HH12 ARG 37 -8.201 3.685 12.928 322 H PHE 38 HN PHE 38 -14.267 5.897 5.477 323 HA PHE 38 HA PHE 38 -15.523 8.569 5.999 324 1HB PHE 38 HB2 PHE 38 -14.215 7.593 3.441 325 2HB PHE 38 HB1 PHE 38 -14.908 9.189 3.716 326 HD1 PHE 38 HD1 PHE 38 -12.091 6.951 4.397 327 HD2 PHE 38 HD2 PHE 38 -13.814 10.790 5.251 328 HE1 PHE 38 HE1 PHE 38 -9.926 7.713 5.339 329 HE2 PHE 38 HE2 PHE 38 -11.649 11.553 6.192 330 HZ PHE 38 HZ PHE 38 -9.706 10.014 6.236 331 HA PRO 39 HA PRO 39 -18.979 5.989 4.564 332 1HB PRO 39 HB2 PRO 39 -21.029 7.649 5.177 333 2HB PRO 39 HB1 PRO 39 -20.124 6.775 6.428 334 1HG PRO 39 HG2 PRO 39 -19.869 9.618 5.553 335 2HG PRO 39 HG1 PRO 39 -19.848 8.942 7.190 336 1HD PRO 39 HD2 PRO 39 -17.566 9.625 5.791 337 2HD PRO 39 HD1 PRO 39 -17.600 8.395 7.074 338 H PHE 40 HN PHE 40 -17.935 8.963 3.280 339 HA PHE 40 HA PHE 40 -19.978 9.539 1.381 340 1HB PHE 40 HB2 PHE 40 -17.088 9.919 0.643 341 2HB PHE 40 HB1 PHE 40 -18.451 11.017 0.428 342 HD1 PHE 40 HD1 PHE 40 -19.614 10.959 3.194 343 HD2 PHE 40 HD2 PHE 40 -15.540 11.224 1.856 344 HE1 PHE 40 HE1 PHE 40 -18.998 12.116 5.298 345 HE2 PHE 40 HE2 PHE 40 -14.927 12.388 3.959 346 HZ PHE 40 HZ PHE 40 -16.655 12.831 5.682 347 H TYR 41 HN TYR 41 -17.215 7.336 1.269 348 HA TYR 41 HA TYR 41 -17.568 6.554 -1.476 349 1HB TYR 41 HB2 TYR 41 -16.159 5.196 0.830 350 2HB TYR 41 HB1 TYR 41 -16.037 4.686 -0.859 351 HD1 TYR 41 HD1 TYR 41 -14.739 5.939 -2.454 352 HD2 TYR 41 HD2 TYR 41 -15.400 7.455 1.499 353 HE1 TYR 41 HE1 TYR 41 -13.073 7.724 -2.871 354 HE2 TYR 41 HE2 TYR 41 -13.725 9.238 1.112 355 HH TYR 41 HH TYR 41 -11.485 9.193 -1.138 356 H ARG 42 HN ARG 42 -19.049 5.491 1.522 357 HA ARG 42 HA ARG 42 -19.959 2.933 0.650 358 1HB ARG 42 HB2 ARG 42 -21.177 4.921 2.586 359 2HB ARG 42 HB1 ARG 42 -21.822 3.299 2.330 360 1HG ARG 42 HG2 ARG 42 -19.647 2.329 2.972 361 2HG ARG 42 HG1 ARG 42 -19.000 3.949 3.233 362 1HD ARG 42 HD2 ARG 42 -19.722 2.915 5.361 363 2HD ARG 42 HD1 ARG 42 -20.682 4.348 4.988 364 HE ARG 42 HE ARG 42 -22.183 2.318 3.903 365 1HH1 ARG 42 HH21 ARG 42 -20.651 2.855 6.947 366 2HH1 ARG 42 HH22 ARG 42 -21.862 2.011 7.853 367 1HH2 ARG 42 HH11 ARG 42 -23.775 1.220 5.075 368 2HH2 ARG 42 HH12 ARG 42 -23.628 1.089 6.795 369 H GLU 43 HN GLU 43 -21.165 6.192 0.066 370 HA GLU 43 HA GLU 43 -23.513 5.128 -1.400 371 1HB GLU 43 HB2 GLU 43 -22.615 7.959 -0.792 372 2HB GLU 43 HB1 GLU 43 -24.082 7.550 -1.681 373 1HG GLU 43 HG2 GLU 43 -24.910 6.276 0.264 374 2HG GLU 43 HG1 GLU 43 -23.445 6.687 1.156 375 H ASN 44 HN ASN 44 -20.421 5.266 -2.147 376 HA ASN 44 HA ASN 44 -20.960 5.916 -5.014 377 1HB ASN 44 HB2 ASN 44 -19.812 7.852 -3.784 378 2HB ASN 44 HB1 ASN 44 -18.417 6.782 -3.627 379 1HD2 ASN 44 HD21 ASN 44 -17.225 8.307 -5.074 380 2HD2 ASN 44 HD22 ASN 44 -17.483 8.243 -6.751 381 H LYS 45 HN LYS 45 -20.315 4.267 -6.257 382 HA LYS 45 HA LYS 45 -18.138 2.436 -5.296 383 1HB LYS 45 HB2 LYS 45 -20.647 1.803 -6.883 384 2HB LYS 45 HB1 LYS 45 -19.391 0.643 -6.461 385 1HG LYS 45 HG2 LYS 45 -19.820 1.040 -4.063 386 2HG LYS 45 HG1 LYS 45 -21.083 2.198 -4.483 387 1HD LYS 45 HD2 LYS 45 -22.332 0.425 -5.649 388 2HD LYS 45 HD1 LYS 45 -21.075 -0.741 -5.235 389 1HE LYS 45 HE2 LYS 45 -21.542 -0.539 -2.891 390 2HE LYS 45 HE1 LYS 45 -22.580 0.862 -3.154 391 1HZ LYS 45 HZ1 LYS 45 -23.881 -1.143 -2.824 392 2HZ LYS 45 HZ2 LYS 45 -23.100 -1.894 -4.134 393 3HZ LYS 45 HZ3 LYS 45 -24.101 -0.546 -4.397 394 H GLN 46 HN GLN 46 -18.529 4.847 -7.261 395 HA GLN 46 HA GLN 46 -18.165 3.932 -9.911 396 1HB GLN 46 HB2 GLN 46 -17.265 6.485 -8.561 397 2HB GLN 46 HB1 GLN 46 -17.181 6.216 -10.302 398 1HG GLN 46 HG2 GLN 46 -19.740 5.904 -8.719 399 2HG GLN 46 HG1 GLN 46 -19.272 7.421 -9.488 400 1HE2 GLN 46 HE21 GLN 46 -21.271 4.904 -10.039 401 2HE2 GLN 46 HE22 GLN 46 -21.172 4.789 -11.729 402 H GLY 47 HN GLY 47 -15.968 5.025 -10.969 403 1HA GLY 47 HA2 GLY 47 -14.026 3.060 -10.901 404 2HA GLY 47 HA1 GLY 47 -13.691 4.719 -11.383 405 H TRP 48 HN TRP 48 -14.638 5.190 -8.303 406 HA TRP 48 HA TRP 48 -11.971 5.607 -7.380 407 1HB TRP 48 HB2 TRP 48 -12.890 6.302 -5.355 408 2HB TRP 48 HB1 TRP 48 -14.238 6.550 -6.454 409 HD1 TRP 48 HD1 TRP 48 -16.423 5.283 -5.960 410 HE1 TRP 48 HE1 TRP 48 -17.164 3.584 -4.172 411 HE3 TRP 48 HE3 TRP 48 -11.901 4.192 -3.855 412 HZ2 TRP 48 HZ2 TRP 48 -15.992 1.980 -2.102 413 HZ3 TRP 48 HZ3 TRP 48 -11.746 2.582 -1.979 414 HH2 TRP 48 HH2 TRP 48 -13.777 1.474 -1.109 415 H GLN 49 HN GLN 49 -14.052 2.826 -7.380 416 HA GLN 49 HA GLN 49 -12.588 1.288 -5.432 417 1HB GLN 49 HB2 GLN 49 -14.586 0.641 -7.595 418 2HB GLN 49 HB1 GLN 49 -13.774 -0.659 -6.720 419 1HG GLN 49 HG2 GLN 49 -14.558 0.288 -4.581 420 2HG GLN 49 HG1 GLN 49 -15.376 1.585 -5.453 421 1HE2 GLN 49 HE21 GLN 49 -15.973 -0.567 -7.651 422 2HE2 GLN 49 HE22 GLN 49 -17.324 -1.385 -7.029 423 H ASN 50 HN ASN 50 -12.649 0.981 -9.016 424 HA ASN 50 HA ASN 50 -10.484 -0.866 -9.148 425 1HB ASN 50 HB2 ASN 50 -11.541 1.120 -11.173 426 2HB ASN 50 HB1 ASN 50 -10.295 -0.070 -11.546 427 1HD2 ASN 50 HD21 ASN 50 -12.049 -1.694 -9.323 428 2HD2 ASN 50 HD22 ASN 50 -13.205 -2.434 -10.319 429 H SER 51 HN SER 51 -10.485 2.684 -9.287 430 HA SER 51 HA SER 51 -7.793 3.076 -10.026 431 1HB SER 51 HB2 SER 51 -9.504 4.875 -9.839 432 2HB SER 51 HB1 SER 51 -9.402 4.755 -8.085 433 HG SER 51 HG SER 51 -7.926 6.228 -9.612 434 H ILE 52 HN ILE 52 -9.140 2.240 -6.866 435 HA ILE 52 HA ILE 52 -6.856 2.880 -5.300 436 HB ILE 52 HB ILE 52 -9.048 0.831 -4.957 437 1HG1 ILE 52 HG12 ILE 52 -9.377 3.432 -4.855 438 2HG1 ILE 52 HG11 ILE 52 -10.110 2.420 -3.619 439 1HG2 ILE 52 HG21 ILE 52 -8.237 0.867 -2.500 440 2HG2 ILE 52 HG22 ILE 52 -6.713 1.462 -3.159 441 3HG2 ILE 52 HG23 ILE 52 -7.334 -0.114 -3.653 442 1HD1 ILE 52 HD11 ILE 52 -7.409 3.763 -3.284 443 2HD1 ILE 52 HD12 ILE 52 -8.367 2.960 -2.044 444 3HD1 ILE 52 HD13 ILE 52 -8.926 4.474 -2.744 445 H ARG 53 HN ARG 53 -7.768 -0.383 -6.535 446 HA ARG 53 HA ARG 53 -5.078 -1.345 -5.860 447 1HB ARG 53 HB2 ARG 53 -5.878 -3.510 -6.716 448 2HB ARG 53 HB1 ARG 53 -7.010 -2.817 -5.556 449 1HG ARG 53 HG2 ARG 53 -8.329 -1.900 -7.482 450 2HG ARG 53 HG1 ARG 53 -7.254 -2.769 -8.574 451 1HD ARG 53 HD2 ARG 53 -8.652 -4.244 -6.340 452 2HD ARG 53 HD1 ARG 53 -9.492 -3.906 -7.855 453 HE ARG 53 HE ARG 53 -7.058 -5.016 -8.636 454 1HH1 ARG 53 HH21 ARG 53 -9.704 -5.873 -6.596 455 2HH1 ARG 53 HH22 ARG 53 -9.503 -7.577 -6.830 456 1HH2 ARG 53 HH11 ARG 53 -6.779 -7.235 -8.949 457 2HH2 ARG 53 HH12 ARG 53 -7.844 -8.348 -8.159 458 H HIS 54 HN HIS 54 -6.772 -0.267 -8.737 459 HA HIS 54 HA HIS 54 -5.028 -1.373 -10.697 460 1HB HIS 54 HB2 HIS 54 -7.159 -0.270 -11.278 461 2HB HIS 54 HB1 HIS 54 -6.492 1.282 -10.766 462 HD1 HIS 54 HD1 HIS 54 -5.452 -1.521 -13.152 463 HD2 HIS 54 HD2 HIS 54 -5.372 2.639 -12.887 464 HE1 HIS 54 HE1 HIS 54 -4.419 -0.687 -15.307 465 H ASN 55 HN ASN 55 -4.807 1.618 -8.795 466 HA ASN 55 HA ASN 55 -2.465 2.617 -10.139 467 1HB ASN 55 HB2 ASN 55 -3.656 3.196 -7.416 468 2HB ASN 55 HB1 ASN 55 -2.256 4.053 -8.062 469 1HD2 ASN 55 HD21 ASN 55 -2.984 4.326 -10.773 470 2HD2 ASN 55 HD22 ASN 55 -4.378 5.287 -10.887 471 H LEU 56 HN LEU 56 -2.909 0.246 -7.602 472 HA LEU 56 HA LEU 56 -0.321 0.406 -6.419 473 1HB LEU 56 HB2 LEU 56 -2.183 -1.947 -6.800 474 2HB LEU 56 HB1 LEU 56 -0.695 -2.037 -5.860 475 HG LEU 56 HG LEU 56 -2.950 -0.077 -5.325 476 1HD1 LEU 56 HD11 LEU 56 -3.720 -1.493 -3.611 477 2HD1 LEU 56 HD12 LEU 56 -2.233 -2.439 -3.590 478 3HD1 LEU 56 HD13 LEU 56 -3.371 -2.618 -4.923 479 1HD2 LEU 56 HD21 LEU 56 -1.111 0.940 -4.334 480 2HD2 LEU 56 HD22 LEU 56 -0.259 -0.583 -4.084 481 3HD2 LEU 56 HD23 LEU 56 -1.589 -0.129 -3.021 482 H SER 57 HN SER 57 -1.474 -1.336 -9.292 483 HA SER 57 HA SER 57 0.916 -2.791 -9.818 484 1HB SER 57 HB2 SER 57 -1.200 -3.253 -10.986 485 2HB SER 57 HB1 SER 57 -1.115 -1.682 -11.780 486 HG SER 57 HG SER 57 0.675 -2.354 -12.889 487 H LEU 58 HN LEU 58 -0.118 0.423 -11.027 488 HA LEU 58 HA LEU 58 2.320 0.862 -12.503 489 1HB LEU 58 HB2 LEU 58 0.176 2.728 -11.470 490 2HB LEU 58 HB1 LEU 58 1.584 3.311 -12.355 491 HG LEU 58 HG LEU 58 0.989 1.719 -14.215 492 1HD1 LEU 58 HD11 LEU 58 -1.506 1.019 -14.136 493 2HD1 LEU 58 HD12 LEU 58 -1.380 1.270 -12.396 494 3HD1 LEU 58 HD13 LEU 58 -0.360 0.072 -13.192 495 1HD2 LEU 58 HD21 LEU 58 -0.648 3.169 -15.165 496 2HD2 LEU 58 HD22 LEU 58 0.291 4.186 -14.075 497 3HD2 LEU 58 HD23 LEU 58 -1.297 3.596 -13.583 498 H ASN 59 HN ASN 59 1.265 1.723 -9.220 499 HA ASN 59 HA ASN 59 3.773 3.124 -8.655 500 1HB ASN 59 HB2 ASN 59 1.452 2.250 -6.916 501 2HB ASN 59 HB1 ASN 59 2.872 3.080 -6.278 502 1HD2 ASN 59 HD21 ASN 59 0.013 4.071 -6.502 503 2HD2 ASN 59 HD22 ASN 59 0.119 5.511 -7.394 504 H GLU 60 HN GLU 60 5.596 1.966 -8.434 505 HA GLU 60 HA GLU 60 5.508 -0.849 -7.540 506 1HB GLU 60 HB2 GLU 60 7.819 0.915 -8.414 507 2HB GLU 60 HB1 GLU 60 7.907 -0.824 -8.128 508 1HG GLU 60 HG2 GLU 60 6.240 -1.207 -9.903 509 2HG GLU 60 HG1 GLU 60 6.142 0.529 -10.195 510 H CYS 61 HN CYS 61 5.486 2.062 -6.058 511 HA CYS 61 HA CYS 61 7.544 1.946 -4.101 512 1HB CYS 61 HB2 CYS 61 4.758 3.136 -4.015 513 2HB CYS 61 HB1 CYS 61 5.948 3.365 -2.734 514 HG CYS 61 HG CYS 61 5.965 4.781 -5.426 515 H PHE 62 HN PHE 62 4.333 0.456 -4.222 516 HA PHE 62 HA PHE 62 4.510 -0.589 -1.502 517 1HB PHE 62 HB2 PHE 62 2.661 -1.395 -3.770 518 2HB PHE 62 HB1 PHE 62 2.452 -1.790 -2.064 519 HD1 PHE 62 HD1 PHE 62 2.224 0.830 -4.611 520 HD2 PHE 62 HD2 PHE 62 1.873 -0.042 -0.421 521 HE1 PHE 62 HE1 PHE 62 1.048 2.984 -4.263 522 HE2 PHE 62 HE2 PHE 62 0.697 2.114 -0.071 523 HZ PHE 62 HZ PHE 62 0.283 3.627 -1.993 524 H VAL 63 HN VAL 63 4.509 -2.947 -1.059 525 HA VAL 63 HA VAL 63 6.214 -4.466 -3.013 526 HB VAL 63 HB VAL 63 6.094 -4.730 0.003 527 1HG1 VAL 63 HG11 VAL 63 8.252 -6.028 -0.478 528 2HG1 VAL 63 HG12 VAL 63 7.732 -6.053 -2.162 529 3HG1 VAL 63 HG13 VAL 63 6.741 -6.820 -0.921 530 1HG2 VAL 63 HG21 VAL 63 7.106 -2.580 -0.865 531 2HG2 VAL 63 HG22 VAL 63 8.306 -3.561 -1.707 532 3HG2 VAL 63 HG23 VAL 63 8.212 -3.595 0.053 533 H LYS 64 HN LYS 64 5.345 -6.357 -3.748 534 HA LYS 64 HA LYS 64 2.726 -7.214 -2.694 535 1HB LYS 64 HB2 LYS 64 4.440 -8.201 -4.991 536 2HB LYS 64 HB1 LYS 64 2.889 -8.914 -4.549 537 1HG LYS 64 HG2 LYS 64 1.775 -6.752 -4.901 538 2HG LYS 64 HG1 LYS 64 3.323 -6.024 -5.344 539 1HD LYS 64 HD2 LYS 64 3.540 -7.504 -7.252 540 2HD LYS 64 HD1 LYS 64 2.100 -8.402 -6.773 541 1HE LYS 64 HE2 LYS 64 1.878 -6.567 -8.617 542 2HE LYS 64 HE1 LYS 64 0.657 -6.650 -7.347 543 1HZ LYS 64 HZ1 LYS 64 1.372 -4.391 -7.612 544 2HZ LYS 64 HZ2 LYS 64 3.004 -4.831 -7.435 545 3HZ LYS 64 HZ3 LYS 64 1.938 -4.963 -6.118 546 H VAL 65 HN VAL 65 2.500 -8.818 -1.223 547 HA VAL 65 HA VAL 65 4.650 -10.883 -0.958 548 HB VAL 65 HB VAL 65 3.928 -10.766 1.597 549 1HG1 VAL 65 HG11 VAL 65 5.736 -9.023 1.954 550 2HG1 VAL 65 HG12 VAL 65 5.801 -8.840 0.200 551 3HG1 VAL 65 HG13 VAL 65 6.207 -10.388 0.942 552 1HG2 VAL 65 HG21 VAL 65 3.584 -7.865 0.829 553 2HG2 VAL 65 HG22 VAL 65 3.203 -8.650 2.362 554 3HG2 VAL 65 HG23 VAL 65 2.204 -8.954 0.945 555 HA PRO 66 HA PRO 66 0.332 -12.560 -1.863 556 1HB PRO 66 HB2 PRO 66 2.269 -14.684 -2.753 557 2HB PRO 66 HB1 PRO 66 0.742 -14.170 -3.502 558 1HG PRO 66 HG2 PRO 66 3.071 -13.374 -4.492 559 2HG PRO 66 HG1 PRO 66 1.685 -12.271 -4.430 560 1HD PRO 66 HD2 PRO 66 4.150 -12.282 -2.744 561 2HD PRO 66 HD1 PRO 66 3.114 -10.917 -3.216 562 H ARG 67 HN ARG 67 -0.394 -14.929 -1.218 563 HA ARG 67 HA ARG 67 0.294 -15.270 1.591 564 1HB ARG 67 HB2 ARG 67 -1.322 -17.128 -0.182 565 2HB ARG 67 HB1 ARG 67 -1.327 -17.078 1.580 566 1HG ARG 67 HG2 ARG 67 -2.028 -14.567 1.240 567 2HG ARG 67 HG1 ARG 67 -2.488 -15.103 -0.373 568 1HD ARG 67 HD2 ARG 67 -3.974 -16.803 0.588 569 2HD ARG 67 HD1 ARG 67 -3.464 -16.357 2.212 570 HE ARG 67 HE ARG 67 -4.410 -13.995 0.991 571 1HH1 ARG 67 HH21 ARG 67 -5.559 -17.127 1.864 572 2HH1 ARG 67 HH22 ARG 67 -7.203 -16.615 2.050 573 1HH2 ARG 67 HH11 ARG 67 -6.543 -13.309 1.236 574 2HH2 ARG 67 HH12 ARG 67 -7.760 -14.453 1.694 575 H ASP 68 HN ASP 68 1.122 -17.374 2.452 576 HA ASP 68 HA ASP 68 3.553 -18.136 1.207 577 1HB ASP 68 HB2 ASP 68 2.732 -18.528 3.654 578 2HB ASP 68 HB1 ASP 68 2.039 -20.019 3.016 579 H ASP 69 HN ASP 69 4.034 -20.427 0.431 580 HA ASP 69 HA ASP 69 2.316 -21.037 -1.801 581 1HB ASP 69 HB2 ASP 69 4.641 -22.517 -0.552 582 2HB ASP 69 HB1 ASP 69 3.798 -23.100 -1.987 583 H LYS 70 HN LYS 70 2.470 -22.171 1.495 584 HA LYS 70 HA LYS 70 1.098 -24.649 1.192 585 1HB LYS 70 HB2 LYS 70 1.148 -22.662 3.477 586 2HB LYS 70 HB1 LYS 70 0.368 -24.241 3.586 587 1HG LYS 70 HG2 LYS 70 2.510 -25.337 3.028 588 2HG LYS 70 HG1 LYS 70 3.289 -23.757 2.928 589 1HD LYS 70 HD2 LYS 70 2.731 -23.327 5.293 590 2HD LYS 70 HD1 LYS 70 1.954 -24.906 5.397 591 1HE LYS 70 HE2 LYS 70 4.002 -26.060 5.132 592 2HE LYS 70 HE1 LYS 70 4.831 -24.628 4.524 593 1HZ LYS 70 HZ1 LYS 70 5.464 -24.239 6.596 594 2HZ LYS 70 HZ2 LYS 70 4.494 -25.497 7.199 595 3HZ LYS 70 HZ3 LYS 70 3.844 -23.940 7.003 596 H LYS 71 HN LYS 71 -0.135 -21.326 1.538 597 HA LYS 71 HA LYS 71 -2.905 -22.224 1.545 598 1HB LYS 71 HB2 LYS 71 -1.734 -19.462 1.123 599 2HB LYS 71 HB1 LYS 71 -3.441 -19.813 1.396 600 1HG LYS 71 HG2 LYS 71 -1.187 -20.453 3.325 601 2HG LYS 71 HG1 LYS 71 -2.310 -19.103 3.480 602 1HD LYS 71 HD2 LYS 71 -4.137 -21.039 3.290 603 2HD LYS 71 HD1 LYS 71 -2.805 -22.042 3.863 604 1HE LYS 71 HE2 LYS 71 -4.163 -19.741 5.247 605 2HE LYS 71 HE1 LYS 71 -3.823 -21.358 5.861 606 1HZ LYS 71 HZ1 LYS 71 -1.386 -20.680 5.553 607 2HZ LYS 71 HZ2 LYS 71 -2.235 -20.047 6.881 608 3HZ LYS 71 HZ3 LYS 71 -1.974 -19.090 5.503 609 HA PRO 72 HA PRO 72 -3.446 -22.839 -2.859 610 1HB PRO 72 HB2 PRO 72 -5.935 -21.208 -2.469 611 2HB PRO 72 HB1 PRO 72 -5.728 -22.754 -3.315 612 1HG PRO 72 HG2 PRO 72 -6.785 -22.622 -0.861 613 2HG PRO 72 HG1 PRO 72 -5.764 -23.977 -1.369 614 1HD PRO 72 HD2 PRO 72 -5.134 -21.774 0.527 615 2HD PRO 72 HD1 PRO 72 -4.430 -23.401 0.402 616 H GLY 73 HN GLY 73 -3.162 -19.815 -1.388 617 1HA GLY 73 HA2 GLY 73 -2.060 -17.903 -2.301 618 2HA GLY 73 HA1 GLY 73 -2.227 -18.604 -3.910 619 H LYS 74 HN LYS 74 -4.628 -17.789 -1.378 620 HA LYS 74 HA LYS 74 -6.386 -16.634 -3.441 621 1HB LYS 74 HB2 LYS 74 -6.670 -16.990 -0.450 622 2HB LYS 74 HB1 LYS 74 -7.901 -16.226 -1.453 623 1HG LYS 74 HG2 LYS 74 -8.054 -18.273 -2.826 624 2HG LYS 74 HG1 LYS 74 -6.829 -19.039 -1.815 625 1HD LYS 74 HD2 LYS 74 -8.295 -18.790 0.156 626 2HD LYS 74 HD1 LYS 74 -9.522 -18.028 -0.856 627 1HE LYS 74 HE2 LYS 74 -9.834 -20.038 -2.137 628 2HE LYS 74 HE1 LYS 74 -8.430 -20.800 -1.391 629 1HZ LYS 74 HZ1 LYS 74 -9.652 -21.453 0.323 630 2HZ LYS 74 HZ2 LYS 74 -11.032 -20.957 -0.535 631 3HZ LYS 74 HZ3 LYS 74 -10.287 -19.899 0.566 632 H GLY 75 HN GLY 75 -6.906 -14.432 -3.604 633 1HA GLY 75 HA2 GLY 75 -6.368 -12.140 -3.548 634 2HA GLY 75 HA1 GLY 75 -6.418 -12.371 -1.800 635 H SER 76 HN SER 76 -4.678 -10.712 -1.803 636 HA SER 76 HA SER 76 -2.049 -12.016 -1.765 637 1HB SER 76 HB2 SER 76 -1.073 -10.120 -3.198 638 2HB SER 76 HB1 SER 76 -1.978 -11.361 -4.059 639 HG SER 76 HG SER 76 -2.623 -9.265 -4.679 640 H TYR 77 HN TYR 77 -0.929 -11.171 -0.057 641 HA TYR 77 HA TYR 77 -2.090 -8.916 1.419 642 1HB TYR 77 HB2 TYR 77 0.531 -10.332 1.958 643 2HB TYR 77 HB1 TYR 77 -0.411 -9.369 3.085 644 HD1 TYR 77 HD1 TYR 77 -3.088 -10.897 1.693 645 HD2 TYR 77 HD2 TYR 77 0.485 -12.025 3.821 646 HE1 TYR 77 HE1 TYR 77 -4.204 -12.944 2.490 647 HE2 TYR 77 HE2 TYR 77 -0.649 -14.078 4.610 648 HH TYR 77 HH TYR 77 -4.063 -14.595 4.146 649 H TRP 78 HN TRP 78 -0.782 -7.014 2.011 650 HA TRP 78 HA TRP 78 1.350 -6.334 0.019 651 1HB TRP 78 HB2 TRP 78 -1.053 -4.654 0.794 652 2HB TRP 78 HB1 TRP 78 0.333 -4.038 -0.107 653 HD1 TRP 78 HD1 TRP 78 -2.278 -6.878 -0.376 654 HE1 TRP 78 HE1 TRP 78 -2.740 -7.306 -2.880 655 HE3 TRP 78 HE3 TRP 78 1.014 -3.579 -2.458 656 HZ2 TRP 78 HZ2 TRP 78 -1.827 -6.366 -5.430 657 HZ3 TRP 78 HZ3 TRP 78 1.187 -3.353 -4.917 658 HH2 TRP 78 HH2 TRP 78 -0.234 -4.733 -6.404 659 H THR 79 HN THR 79 3.013 -5.059 0.860 660 HA THR 79 HA THR 79 2.719 -3.881 3.554 661 HB THR 79 HB THR 79 3.478 -6.298 3.832 662 HG1 THR 79 HG1 THR 79 5.028 -4.090 4.656 663 1HG2 THR 79 HG21 THR 79 5.622 -6.969 3.131 664 2HG2 THR 79 HG22 THR 79 6.144 -5.311 2.836 665 3HG2 THR 79 HG23 THR 79 5.002 -6.084 1.737 666 H LEU 80 HN LEU 80 4.742 -2.590 4.102 667 HA LEU 80 HA LEU 80 5.778 -1.321 1.603 668 1HB LEU 80 HB2 LEU 80 5.805 -0.362 4.480 669 2HB LEU 80 HB1 LEU 80 6.340 0.569 3.084 670 HG LEU 80 HG LEU 80 3.540 -0.555 3.332 671 1HD1 LEU 80 HD11 LEU 80 3.734 0.940 5.178 672 2HD1 LEU 80 HD12 LEU 80 2.961 1.875 3.900 673 3HD1 LEU 80 HD13 LEU 80 4.676 2.096 4.238 674 1HD2 LEU 80 HD21 LEU 80 3.962 0.008 1.071 675 2HD2 LEU 80 HD22 LEU 80 4.909 1.430 1.507 676 3HD2 LEU 80 HD23 LEU 80 3.160 1.438 1.713 677 H ASP 81 HN ASP 81 7.807 -1.899 0.994 678 HA ASP 81 HA ASP 81 10.022 -1.857 2.819 679 1HB ASP 81 HB2 ASP 81 8.945 -4.066 3.433 680 2HB ASP 81 HB1 ASP 81 9.331 -4.622 1.806 681 HA PRO 82 HA PRO 82 10.817 -1.331 -1.757 682 1HB PRO 82 HB2 PRO 82 12.477 0.908 -0.694 683 2HB PRO 82 HB1 PRO 82 11.294 0.912 -2.014 684 1HG PRO 82 HG2 PRO 82 10.755 2.052 0.337 685 2HG PRO 82 HG1 PRO 82 9.503 1.202 -0.585 686 1HD PRO 82 HD2 PRO 82 11.028 0.260 1.828 687 2HD PRO 82 HD1 PRO 82 9.311 0.027 1.422 688 H ASP 83 HN ASP 83 13.587 -0.108 -1.910 689 HA ASP 83 HA ASP 83 15.075 -2.631 -1.500 690 1HB ASP 83 HB2 ASP 83 15.938 0.011 -2.723 691 2HB ASP 83 HB1 ASP 83 16.905 -1.465 -2.695 692 H SER 84 HN SER 84 14.289 -1.461 0.908 693 HA SER 84 HA SER 84 16.197 0.330 2.045 694 1HB SER 84 HB2 SER 84 14.185 -1.608 3.123 695 2HB SER 84 HB1 SER 84 15.375 -0.939 4.238 696 HG SER 84 HG SER 84 13.306 0.298 2.841 697 H TYR 85 HN TYR 85 18.108 -0.790 0.950 698 HA TYR 85 HA TYR 85 19.061 -3.333 1.807 699 1HB TYR 85 HB2 TYR 85 19.935 -2.108 -0.168 700 2HB TYR 85 HB1 TYR 85 20.672 -0.924 0.912 701 HD1 TYR 85 HD1 TYR 85 22.745 -1.371 2.003 702 HD2 TYR 85 HD2 TYR 85 20.634 -4.519 -0.015 703 HE1 TYR 85 HE1 TYR 85 24.706 -2.864 2.288 704 HE2 TYR 85 HE2 TYR 85 22.595 -6.016 0.269 705 HH TYR 85 HH TYR 85 24.630 -6.236 1.128 706 H ASN 86 HN ASN 86 19.716 -0.061 3.052 707 HA ASN 86 HA ASN 86 20.521 -1.280 5.656 708 1HB ASN 86 HB2 ASN 86 22.556 -0.713 4.243 709 2HB ASN 86 HB1 ASN 86 22.049 0.974 4.338 710 1HD2 ASN 86 HD21 ASN 86 24.389 0.845 5.489 711 2HD2 ASN 86 HD22 ASN 86 24.331 0.669 7.176 712 H MET 87 HN MET 87 18.122 0.120 4.660 713 HA MET 87 HA MET 87 18.241 2.783 5.922 714 1HB MET 87 HB2 MET 87 15.888 1.334 4.675 715 2HB MET 87 HB1 MET 87 15.963 3.048 5.087 716 1HG MET 87 HG2 MET 87 17.790 1.666 3.102 717 2HG MET 87 HG1 MET 87 16.386 2.640 2.664 718 1HE MET 87 HE1 MET 87 20.132 2.763 2.904 719 2HE MET 87 HE2 MET 87 20.086 4.336 2.111 720 3HE MET 87 HE3 MET 87 19.068 3.025 1.516 721 H PHE 88 HN PHE 88 17.970 -0.236 7.099 722 HA PHE 88 HA PHE 88 15.694 0.022 8.863 723 1HB PHE 88 HB2 PHE 88 16.540 -1.953 9.977 724 2HB PHE 88 HB1 PHE 88 16.747 -2.168 8.240 725 HD1 PHE 88 HD1 PHE 88 18.963 -2.083 7.210 726 HD2 PHE 88 HD2 PHE 88 18.457 -1.580 11.445 727 HE1 PHE 88 HE1 PHE 88 21.395 -2.437 7.542 728 HE2 PHE 88 HE2 PHE 88 20.889 -1.934 11.778 729 HZ PHE 88 HZ PHE 88 22.358 -2.364 9.825 730 H GLU 89 HN GLU 89 18.912 1.268 8.916 731 HA GLU 89 HA GLU 89 19.292 1.569 11.721 732 1HB GLU 89 HB2 GLU 89 20.236 3.240 9.386 733 2HB GLU 89 HB1 GLU 89 20.769 3.514 11.045 734 1HG GLU 89 HG2 GLU 89 21.627 1.204 11.154 735 2HG GLU 89 HG1 GLU 89 21.100 0.929 9.492 736 H ASN 90 HN ASN 90 17.664 3.561 9.361 737 HA ASN 90 HA ASN 90 16.224 4.963 11.563 738 1HB ASN 90 HB2 ASN 90 17.659 6.306 9.253 739 2HB ASN 90 HB1 ASN 90 16.482 7.120 10.284 740 1HD2 ASN 90 HD21 ASN 90 17.093 6.330 12.828 741 2HD2 ASN 90 HD22 ASN 90 18.700 6.706 13.224 742 H GLY 91 HN GLY 91 14.109 5.623 10.969 743 1HA GLY 91 HA2 GLY 91 13.084 4.328 8.484 744 2HA GLY 91 HA1 GLY 91 12.109 4.792 9.878 745 H SER 92 HN SER 92 14.339 7.215 9.107 746 HA SER 92 HA SER 92 12.339 8.667 7.406 747 1HB SER 92 HB2 SER 92 13.983 10.001 9.559 748 2HB SER 92 HB1 SER 92 12.578 10.635 8.706 749 HG SER 92 HG SER 92 12.484 8.306 10.314 750 H PHE 93 HN PHE 93 13.833 7.923 5.674 751 HA PHE 93 HA PHE 93 16.385 9.493 5.554 752 1HB PHE 93 HB2 PHE 93 16.905 7.876 3.660 753 2HB PHE 93 HB1 PHE 93 16.806 7.146 5.262 754 HD1 PHE 93 HD1 PHE 93 14.713 5.951 5.961 755 HD2 PHE 93 HD2 PHE 93 15.351 7.292 1.930 756 HE1 PHE 93 HE1 PHE 93 12.911 4.441 5.174 757 HE2 PHE 93 HE2 PHE 93 13.547 5.783 1.144 758 HZ PHE 93 HZ PHE 93 12.327 4.358 2.766 759 H LEU 94 HN LEU 94 15.624 11.460 4.749 760 HA LEU 94 HA LEU 94 13.625 11.652 2.680 761 1HB LEU 94 HB2 LEU 94 14.456 13.418 4.436 762 2HB LEU 94 HB1 LEU 94 15.663 13.810 3.218 763 HG LEU 94 HG LEU 94 12.670 13.776 2.719 764 1HD1 LEU 94 HD11 LEU 94 14.579 16.018 3.403 765 2HD1 LEU 94 HD12 LEU 94 13.096 15.562 4.242 766 3HD1 LEU 94 HD13 LEU 94 13.012 16.301 2.643 767 1HD2 LEU 94 HD21 LEU 94 15.086 14.325 1.024 768 2HD2 LEU 94 HD22 LEU 94 13.655 15.318 0.755 769 3HD2 LEU 94 HD23 LEU 94 13.552 13.571 0.592 Start of MODEL 25 1 1H MET 1 HT1 MET 1 -23.814 18.603 7.366 2 2H MET 1 HT2 MET 1 -22.250 18.051 7.732 3 3H MET 1 HT3 MET 1 -23.555 16.964 7.720 4 HA MET 1 HA MET 1 -23.736 16.976 5.418 5 1HB MET 1 HB2 MET 1 -23.590 19.509 5.331 6 2HB MET 1 HB1 MET 1 -21.835 19.336 5.357 7 1HG MET 1 HG2 MET 1 -22.045 17.830 3.336 8 2HG MET 1 HG1 MET 1 -23.746 18.286 3.254 9 1HE MET 1 HE1 MET 1 -23.959 21.811 2.268 10 2HE MET 1 HE2 MET 1 -23.720 21.568 3.996 11 3HE MET 1 HE3 MET 1 -24.665 20.404 3.073 12 H LEU 2 HN LEU 2 -22.295 15.804 4.054 13 HA LEU 2 HA LEU 2 -19.661 15.116 5.316 14 1HB LEU 2 HB2 LEU 2 -21.343 13.524 3.354 15 2HB LEU 2 HB1 LEU 2 -19.846 12.988 4.115 16 HG LEU 2 HG LEU 2 -22.394 13.704 5.596 17 1HD1 LEU 2 HD11 LEU 2 -22.644 11.315 5.957 18 2HD1 LEU 2 HD12 LEU 2 -21.121 10.992 5.126 19 3HD1 LEU 2 HD13 LEU 2 -22.505 11.609 4.223 20 1HD2 LEU 2 HD21 LEU 2 -20.660 14.098 7.134 21 2HD2 LEU 2 HD22 LEU 2 -19.637 12.829 6.458 22 3HD2 LEU 2 HD23 LEU 2 -21.040 12.405 7.437 23 H VAL 3 HN VAL 3 -17.807 15.194 4.039 24 HA VAL 3 HA VAL 3 -18.092 15.978 1.176 25 HB VAL 3 HB VAL 3 -16.268 17.679 1.529 26 1HG1 VAL 3 HG11 VAL 3 -18.622 18.365 1.347 27 2HG1 VAL 3 HG12 VAL 3 -17.775 19.384 2.511 28 3HG1 VAL 3 HG13 VAL 3 -18.844 18.100 3.077 29 1HG2 VAL 3 HG21 VAL 3 -15.786 18.436 3.786 30 2HG2 VAL 3 HG22 VAL 3 -15.497 16.698 3.716 31 3HG2 VAL 3 HG23 VAL 3 -16.972 17.318 4.458 32 H LYS 4 HN LYS 4 -16.077 15.572 -0.042 33 HA LYS 4 HA LYS 4 -14.816 13.122 0.806 34 1HB LYS 4 HB2 LYS 4 -13.338 13.500 -1.198 35 2HB LYS 4 HB1 LYS 4 -15.060 13.513 -1.558 36 1HG LYS 4 HG2 LYS 4 -13.955 16.183 -0.861 37 2HG LYS 4 HG1 LYS 4 -13.275 15.487 -2.328 38 1HD LYS 4 HD2 LYS 4 -15.459 15.247 -3.319 39 2HD LYS 4 HD1 LYS 4 -16.254 15.687 -1.809 40 1HE LYS 4 HE2 LYS 4 -14.432 17.502 -3.417 41 2HE LYS 4 HE1 LYS 4 -16.192 17.592 -3.390 42 1HZ LYS 4 HZ1 LYS 4 -14.258 18.333 -1.331 43 2HZ LYS 4 HZ2 LYS 4 -15.739 17.683 -0.812 44 3HZ LYS 4 HZ3 LYS 4 -15.714 19.085 -1.771 45 HA PRO 5 HA PRO 5 -11.542 15.010 3.163 46 1HB PRO 5 HB2 PRO 5 -9.748 13.011 3.313 47 2HB PRO 5 HB1 PRO 5 -11.332 12.885 4.099 48 1HG PRO 5 HG2 PRO 5 -10.451 11.782 1.462 49 2HG PRO 5 HG1 PRO 5 -11.340 10.976 2.768 50 1HD PRO 5 HD2 PRO 5 -12.600 12.016 0.576 51 2HD PRO 5 HD1 PRO 5 -13.366 11.961 2.181 52 HA PRO 6 HA PRO 6 -8.511 16.481 0.220 53 1HB PRO 6 HB2 PRO 6 -6.623 17.533 1.828 54 2HB PRO 6 HB1 PRO 6 -8.267 18.203 1.784 55 1HG PRO 6 HG2 PRO 6 -7.054 16.319 3.767 56 2HG PRO 6 HG1 PRO 6 -8.046 17.761 4.055 57 1HD PRO 6 HD2 PRO 6 -9.074 15.203 4.074 58 2HD PRO 6 HD1 PRO 6 -10.030 16.641 3.647 59 H TYR 7 HN TYR 7 -8.034 13.626 1.740 60 HA TYR 7 HA TYR 7 -5.128 13.379 1.351 61 1HB TYR 7 HB2 TYR 7 -7.107 11.153 1.885 62 2HB TYR 7 HB1 TYR 7 -5.376 11.147 2.202 63 HD1 TYR 7 HD1 TYR 7 -8.346 11.220 3.855 64 HD2 TYR 7 HD2 TYR 7 -4.734 13.536 3.606 65 HE1 TYR 7 HE1 TYR 7 -8.785 12.142 6.106 66 HE2 TYR 7 HE2 TYR 7 -5.174 14.456 5.863 67 HH TYR 7 HH TYR 7 -7.540 14.781 7.288 68 H SER 8 HN SER 8 -4.138 12.349 -0.354 69 HA SER 8 HA SER 8 -5.716 11.986 -2.792 70 1HB SER 8 HB2 SER 8 -3.541 11.479 -3.836 71 2HB SER 8 HB1 SER 8 -3.436 12.951 -2.873 72 HG SER 8 HG SER 8 -1.787 11.129 -2.644 73 H TYR 9 HN TYR 9 -5.296 9.860 -4.078 74 HA TYR 9 HA TYR 9 -6.340 7.670 -2.591 75 1HB TYR 9 HB2 TYR 9 -4.866 7.782 -5.234 76 2HB TYR 9 HB1 TYR 9 -5.567 6.297 -4.592 77 HD1 TYR 9 HD1 TYR 9 -6.263 9.589 -6.047 78 HD2 TYR 9 HD2 TYR 9 -8.002 6.064 -4.318 79 HE1 TYR 9 HE1 TYR 9 -8.490 10.266 -6.908 80 HE2 TYR 9 HE2 TYR 9 -10.225 6.740 -5.179 81 HH TYR 9 HH TYR 9 -11.165 8.142 -6.945 82 H ILE 10 HN ILE 10 -3.015 8.507 -3.507 83 HA ILE 10 HA ILE 10 -1.750 6.136 -2.549 84 HB ILE 10 HB ILE 10 -0.672 8.975 -2.569 85 1HG1 ILE 10 HG12 ILE 10 -1.441 8.387 -4.795 86 2HG1 ILE 10 HG11 ILE 10 0.317 8.296 -4.770 87 1HG2 ILE 10 HG21 ILE 10 0.726 7.508 -1.240 88 2HG2 ILE 10 HG22 ILE 10 1.530 7.795 -2.784 89 3HG2 ILE 10 HG23 ILE 10 0.692 6.270 -2.498 90 1HD1 ILE 10 HD11 ILE 10 -1.692 6.064 -4.880 91 2HD1 ILE 10 HD12 ILE 10 -0.094 5.760 -4.198 92 3HD1 ILE 10 HD13 ILE 10 -0.251 6.314 -5.863 93 H ALA 11 HN ALA 11 -2.377 9.254 -0.929 94 HA ALA 11 HA ALA 11 -1.254 8.515 1.588 95 1HB ALA 11 HB1 ALA 11 -1.685 10.839 1.167 96 2HB ALA 11 HB2 ALA 11 -2.766 10.363 2.477 97 3HB ALA 11 HB3 ALA 11 -3.390 10.528 0.837 98 H LEU 12 HN LEU 12 -4.611 8.267 0.372 99 HA LEU 12 HA LEU 12 -5.750 7.324 2.806 100 1HB LEU 12 HB2 LEU 12 -6.500 6.777 -0.078 101 2HB LEU 12 HB1 LEU 12 -7.483 6.266 1.292 102 HG LEU 12 HG LEU 12 -6.651 9.139 0.780 103 1HD1 LEU 12 HD11 LEU 12 -9.023 9.434 0.043 104 2HD1 LEU 12 HD12 LEU 12 -9.229 7.684 0.120 105 3HD1 LEU 12 HD13 LEU 12 -8.094 8.389 -1.030 106 1HD2 LEU 12 HD21 LEU 12 -8.797 9.382 2.332 107 2HD2 LEU 12 HD22 LEU 12 -7.217 9.079 3.040 108 3HD2 LEU 12 HD23 LEU 12 -8.358 7.751 2.836 109 H ILE 13 HN ILE 13 -4.259 5.542 0.106 110 HA ILE 13 HA ILE 13 -4.675 2.943 1.303 111 HB ILE 13 HB ILE 13 -2.683 3.892 -0.778 112 1HG1 ILE 13 HG12 ILE 13 -5.229 2.289 -1.136 113 2HG1 ILE 13 HG11 ILE 13 -5.182 4.047 -1.276 114 1HG2 ILE 13 HG21 ILE 13 -3.412 1.138 0.241 115 2HG2 ILE 13 HG22 ILE 13 -1.809 1.866 0.138 116 3HG2 ILE 13 HG23 ILE 13 -2.658 1.391 -1.333 117 1HD1 ILE 13 HD11 ILE 13 -3.458 3.853 -3.040 118 2HD1 ILE 13 HD12 ILE 13 -4.937 3.008 -3.492 119 3HD1 ILE 13 HD13 ILE 13 -3.541 2.096 -2.918 120 H THR 14 HN THR 14 -2.002 5.279 1.307 121 HA THR 14 HA THR 14 -0.105 3.647 2.674 122 HB THR 14 HB THR 14 -0.422 6.657 2.732 123 HG1 THR 14 HG1 THR 14 0.346 4.902 0.835 124 1HG2 THR 14 HG21 THR 14 1.062 6.119 4.486 125 2HG2 THR 14 HG22 THR 14 2.123 6.457 3.119 126 3HG2 THR 14 HG23 THR 14 1.786 4.789 3.581 127 H MET 15 HN MET 15 -2.610 5.861 3.881 128 HA MET 15 HA MET 15 -1.864 5.563 6.658 129 1HB MET 15 HB2 MET 15 -4.432 6.467 5.332 130 2HB MET 15 HB1 MET 15 -4.193 6.469 7.078 131 1HG MET 15 HG2 MET 15 -2.144 7.895 6.717 132 2HG MET 15 HG1 MET 15 -2.598 8.019 5.019 133 1HE MET 15 HE1 MET 15 -5.869 8.297 5.079 134 2HE MET 15 HE2 MET 15 -4.547 8.912 4.090 135 3HE MET 15 HE3 MET 15 -5.692 10.036 4.817 136 H ALA 16 HN ALA 16 -4.096 3.890 4.500 137 HA ALA 16 HA ALA 16 -5.478 2.340 6.432 138 1HB ALA 16 HB1 ALA 16 -5.805 0.722 4.524 139 2HB ALA 16 HB2 ALA 16 -4.696 1.710 3.573 140 3HB ALA 16 HB3 ALA 16 -6.225 2.389 4.129 141 H ILE 17 HN ILE 17 -2.448 1.624 4.667 142 HA ILE 17 HA ILE 17 -1.993 -0.958 5.774 143 HB ILE 17 HB ILE 17 0.025 1.160 4.970 144 1HG1 ILE 17 HG12 ILE 17 -1.071 -1.161 3.364 145 2HG1 ILE 17 HG11 ILE 17 -1.703 0.483 3.259 146 1HG2 ILE 17 HG21 ILE 17 0.237 -1.796 5.556 147 2HG2 ILE 17 HG22 ILE 17 1.223 -0.473 6.181 148 3HG2 ILE 17 HG23 ILE 17 1.398 -0.984 4.504 149 1HD1 ILE 17 HD11 ILE 17 1.233 -0.114 2.869 150 2HD1 ILE 17 HD12 ILE 17 0.340 1.335 2.406 151 3HD1 ILE 17 HD13 ILE 17 0.087 -0.175 1.530 152 H GLN 18 HN GLN 18 -0.789 2.215 6.824 153 HA GLN 18 HA GLN 18 0.512 1.197 9.189 154 1HB GLN 18 HB2 GLN 18 -0.348 3.982 8.378 155 2HB GLN 18 HB1 GLN 18 0.549 3.641 9.859 156 1HG GLN 18 HG2 GLN 18 2.350 2.598 8.534 157 2HG GLN 18 HG1 GLN 18 1.459 2.939 7.051 158 1HE2 GLN 18 HE21 GLN 18 4.135 4.028 8.148 159 2HE2 GLN 18 HE22 GLN 18 3.958 5.713 8.045 160 H ASN 19 HN ASN 19 -2.688 2.600 8.596 161 HA ASN 19 HA ASN 19 -3.394 2.666 11.413 162 1HB ASN 19 HB2 ASN 19 -5.045 2.874 8.882 163 2HB ASN 19 HB1 ASN 19 -5.721 3.046 10.503 164 1HD2 ASN 19 HD21 ASN 19 -2.668 4.229 10.853 165 2HD2 ASN 19 HD22 ASN 19 -2.939 5.866 10.498 166 H ALA 20 HN ALA 20 -2.929 0.099 9.365 167 HA ALA 20 HA ALA 20 -5.232 -1.518 10.113 168 1HB ALA 20 HB1 ALA 20 -2.554 -2.436 9.011 169 2HB ALA 20 HB2 ALA 20 -3.886 -1.852 8.009 170 3HB ALA 20 HB3 ALA 20 -4.079 -3.323 8.961 171 HA PRO 21 HA PRO 21 -3.644 -2.893 14.055 172 1HB PRO 21 HB2 PRO 21 -4.767 -5.414 14.202 173 2HB PRO 21 HB1 PRO 21 -5.671 -3.919 14.504 174 1HG PRO 21 HG2 PRO 21 -5.573 -5.601 12.042 175 2HG PRO 21 HG1 PRO 21 -6.954 -4.781 12.792 176 1HD PRO 21 HD2 PRO 21 -5.681 -3.769 10.607 177 2HD PRO 21 HD1 PRO 21 -6.423 -2.722 11.837 178 H GLU 22 HN GLU 22 -3.131 -4.577 11.112 179 HA GLU 22 HA GLU 22 -0.605 -5.775 12.177 180 1HB GLU 22 HB2 GLU 22 -2.362 -7.543 11.810 181 2HB GLU 22 HB1 GLU 22 -2.439 -7.052 10.117 182 1HG GLU 22 HG2 GLU 22 -0.070 -7.601 9.820 183 2HG GLU 22 HG1 GLU 22 0.065 -8.023 11.529 184 H LYS 23 HN LYS 23 1.149 -5.356 10.821 185 HA LYS 23 HA LYS 23 0.925 -3.247 8.938 186 1HB LYS 23 HB2 LYS 23 3.046 -3.939 10.090 187 2HB LYS 23 HB1 LYS 23 3.091 -5.372 9.073 188 1HG LYS 23 HG2 LYS 23 4.542 -3.742 8.065 189 2HG LYS 23 HG1 LYS 23 3.102 -3.850 7.056 190 1HD LYS 23 HD2 LYS 23 2.265 -1.782 7.797 191 2HD LYS 23 HD1 LYS 23 3.249 -1.791 9.259 192 1HE LYS 23 HE2 LYS 23 4.193 -0.182 7.726 193 2HE LYS 23 HE1 LYS 23 5.286 -1.562 7.790 194 1HZ LYS 23 HZ1 LYS 23 3.833 -2.372 5.807 195 2HZ LYS 23 HZ2 LYS 23 5.084 -1.251 5.549 196 3HZ LYS 23 HZ3 LYS 23 3.472 -0.723 5.641 197 H LYS 24 HN LYS 24 0.977 -6.770 8.480 198 HA LYS 24 HA LYS 24 0.829 -6.519 5.568 199 1HB LYS 24 HB2 LYS 24 0.500 -8.866 7.459 200 2HB LYS 24 HB1 LYS 24 0.388 -9.016 5.706 201 1HG LYS 24 HG2 LYS 24 2.662 -8.078 5.479 202 2HG LYS 24 HG1 LYS 24 2.776 -7.940 7.234 203 1HD LYS 24 HD2 LYS 24 2.457 -10.399 7.426 204 2HD LYS 24 HD1 LYS 24 2.428 -10.512 5.665 205 1HE LYS 24 HE2 LYS 24 4.676 -11.011 6.308 206 2HE LYS 24 HE1 LYS 24 4.708 -9.359 5.689 207 1HZ LYS 24 HZ1 LYS 24 5.861 -9.820 7.897 208 2HZ LYS 24 HZ2 LYS 24 4.301 -9.918 8.561 209 3HZ LYS 24 HZ3 LYS 24 4.823 -8.480 7.823 210 H ILE 25 HN ILE 25 -1.021 -6.320 4.400 211 HA ILE 25 HA ILE 25 -3.635 -7.007 5.665 212 HB ILE 25 HB ILE 25 -3.115 -4.549 5.960 213 1HG1 ILE 25 HG12 ILE 25 -5.437 -5.072 4.087 214 2HG1 ILE 25 HG11 ILE 25 -5.445 -5.539 5.789 215 1HG2 ILE 25 HG21 ILE 25 -1.915 -4.379 3.731 216 2HG2 ILE 25 HG22 ILE 25 -3.085 -3.098 4.049 217 3HG2 ILE 25 HG23 ILE 25 -3.500 -4.421 2.960 218 1HD1 ILE 25 HD11 ILE 25 -6.518 -3.318 5.395 219 2HD1 ILE 25 HD12 ILE 25 -4.976 -2.716 4.787 220 3HD1 ILE 25 HD13 ILE 25 -5.123 -3.221 6.470 221 H THR 26 HN THR 26 -5.249 -7.579 4.146 222 HA THR 26 HA THR 26 -4.188 -8.491 1.565 223 HB THR 26 HB THR 26 -6.405 -9.532 1.294 224 HG1 THR 26 HG1 THR 26 -8.035 -8.976 2.528 225 1HG2 THR 26 HG21 THR 26 -4.574 -10.534 2.762 226 2HG2 THR 26 HG22 THR 26 -6.211 -11.110 3.073 227 3HG2 THR 26 HG23 THR 26 -5.479 -9.917 4.144 228 H LEU 27 HN LEU 27 -5.519 -8.089 -0.429 229 HA LEU 27 HA LEU 27 -5.676 -5.315 -1.053 230 1HB LEU 27 HB2 LEU 27 -5.469 -7.373 -2.600 231 2HB LEU 27 HB1 LEU 27 -7.212 -7.529 -2.436 232 HG LEU 27 HG LEU 27 -7.470 -5.203 -3.316 233 1HD1 LEU 27 HD11 LEU 27 -4.474 -5.378 -3.280 234 2HD1 LEU 27 HD12 LEU 27 -5.526 -3.998 -2.966 235 3HD1 LEU 27 HD13 LEU 27 -5.227 -4.516 -4.619 236 1HD2 LEU 27 HD21 LEU 27 -6.770 -5.838 -5.663 237 2HD2 LEU 27 HD22 LEU 27 -7.707 -7.071 -4.828 238 3HD2 LEU 27 HD23 LEU 27 -5.959 -7.241 -4.974 239 H ASN 28 HN ASN 28 -8.204 -7.712 -0.421 240 HA ASN 28 HA ASN 28 -10.462 -5.993 -0.525 241 1HB ASN 28 HB2 ASN 28 -9.955 -8.552 1.003 242 2HB ASN 28 HB1 ASN 28 -11.527 -7.758 0.954 243 1HD2 ASN 28 HD21 ASN 28 -11.055 -10.395 -0.149 244 2HD2 ASN 28 HD22 ASN 28 -11.286 -10.299 -1.827 245 H GLY 29 HN GLY 29 -8.322 -6.846 2.191 246 1HA GLY 29 HA2 GLY 29 -9.823 -5.635 4.264 247 2HA GLY 29 HA1 GLY 29 -8.073 -5.841 4.295 248 H ILE 30 HN ILE 30 -7.439 -4.192 2.045 249 HA ILE 30 HA ILE 30 -7.300 -1.640 3.294 250 HB ILE 30 HB ILE 30 -7.005 -2.447 0.387 251 1HG1 ILE 30 HG12 ILE 30 -4.918 -1.700 2.455 252 2HG1 ILE 30 HG11 ILE 30 -5.414 -3.363 2.141 253 1HG2 ILE 30 HG21 ILE 30 -5.745 -0.234 0.250 254 2HG2 ILE 30 HG22 ILE 30 -6.494 0.189 1.788 255 3HG2 ILE 30 HG23 ILE 30 -7.499 -0.100 0.369 256 1HD1 ILE 30 HD11 ILE 30 -4.795 -3.051 -0.258 257 2HD1 ILE 30 HD12 ILE 30 -3.420 -2.871 0.830 258 3HD1 ILE 30 HD13 ILE 30 -4.191 -1.442 0.140 259 H TYR 31 HN TYR 31 -9.540 -2.873 0.797 260 HA TYR 31 HA TYR 31 -10.945 -0.434 0.371 261 1HB TYR 31 HB2 TYR 31 -11.708 -3.334 0.092 262 2HB TYR 31 HB1 TYR 31 -12.906 -2.076 -0.182 263 HD1 TYR 31 HD1 TYR 31 -10.375 -4.020 -1.733 264 HD2 TYR 31 HD2 TYR 31 -12.128 -0.105 -1.732 265 HE1 TYR 31 HE1 TYR 31 -9.555 -3.650 -4.045 266 HE2 TYR 31 HE2 TYR 31 -11.306 0.266 -4.030 267 HH TYR 31 HH TYR 31 -9.810 -2.312 -5.885 268 H GLN 32 HN GLN 32 -11.466 -2.981 2.808 269 HA GLN 32 HA GLN 32 -13.928 -2.015 3.826 270 1HB GLN 32 HB2 GLN 32 -12.983 -4.208 4.426 271 2HB GLN 32 HB1 GLN 32 -11.687 -3.411 5.315 272 1HG GLN 32 HG2 GLN 32 -13.272 -2.449 6.881 273 2HG GLN 32 HG1 GLN 32 -14.632 -3.059 5.938 274 1HE2 GLN 32 HE21 GLN 32 -14.345 -3.822 8.662 275 2HE2 GLN 32 HE22 GLN 32 -13.949 -5.471 8.731 276 H PHE 33 HN PHE 33 -10.600 -1.157 4.766 277 HA PHE 33 HA PHE 33 -11.271 0.501 6.964 278 1HB PHE 33 HB2 PHE 33 -8.975 -0.211 6.504 279 2HB PHE 33 HB1 PHE 33 -8.955 0.757 5.028 280 HD1 PHE 33 HD1 PHE 33 -8.878 0.845 8.707 281 HD2 PHE 33 HD2 PHE 33 -8.937 3.201 5.115 282 HE1 PHE 33 HE1 PHE 33 -8.227 2.852 10.011 283 HE2 PHE 33 HE2 PHE 33 -8.285 5.207 6.418 284 HZ PHE 33 HZ PHE 33 -7.929 5.033 8.867 285 H ILE 34 HN ILE 34 -10.776 1.447 3.537 286 HA ILE 34 HA ILE 34 -11.201 4.219 3.934 287 HB ILE 34 HB ILE 34 -11.776 2.524 1.490 288 1HG1 ILE 34 HG12 ILE 34 -9.421 4.321 2.138 289 2HG1 ILE 34 HG11 ILE 34 -9.417 2.580 2.416 290 1HG2 ILE 34 HG21 ILE 34 -11.489 4.768 0.316 291 2HG2 ILE 34 HG22 ILE 34 -11.649 5.522 1.901 292 3HG2 ILE 34 HG23 ILE 34 -12.985 4.586 1.231 293 1HD1 ILE 34 HD11 ILE 34 -9.940 3.885 -0.270 294 2HD1 ILE 34 HD12 ILE 34 -9.793 2.155 0.044 295 3HD1 ILE 34 HD13 ILE 34 -8.390 3.209 0.228 296 H MET 35 HN MET 35 -13.626 1.752 2.948 297 HA MET 35 HA MET 35 -15.798 3.574 2.797 298 1HB MET 35 HB2 MET 35 -15.725 0.617 3.423 299 2HB MET 35 HB1 MET 35 -17.226 1.517 3.202 300 1HG MET 35 HG2 MET 35 -16.491 2.207 0.955 301 2HG MET 35 HG1 MET 35 -14.983 1.321 1.171 302 1HE MET 35 HE1 MET 35 -15.037 -0.597 -0.647 303 2HE MET 35 HE2 MET 35 -15.632 -2.082 0.092 304 3HE MET 35 HE3 MET 35 -14.609 -0.992 1.022 305 H ASP 36 HN ASP 36 -14.704 1.607 5.588 306 HA ASP 36 HA ASP 36 -16.772 2.617 7.333 307 1HB ASP 36 HB2 ASP 36 -14.101 1.306 7.893 308 2HB ASP 36 HB1 ASP 36 -15.254 1.734 9.157 309 H ARG 37 HN ARG 37 -13.409 3.572 6.713 310 HA ARG 37 HA ARG 37 -13.310 5.551 8.793 311 1HB ARG 37 HB2 ARG 37 -11.336 4.490 7.592 312 2HB ARG 37 HB1 ARG 37 -11.702 5.547 6.233 313 1HG ARG 37 HG2 ARG 37 -10.019 6.656 7.546 314 2HG ARG 37 HG1 ARG 37 -11.536 7.511 7.814 315 1HD ARG 37 HD2 ARG 37 -11.736 6.749 10.001 316 2HD ARG 37 HD1 ARG 37 -10.822 5.274 9.691 317 HE ARG 37 HE ARG 37 -8.940 7.265 9.374 318 1HH1 ARG 37 HH21 ARG 37 -11.277 6.428 11.766 319 2HH1 ARG 37 HH22 ARG 37 -10.314 6.984 13.094 320 1HH2 ARG 37 HH11 ARG 37 -7.665 7.991 11.094 321 2HH2 ARG 37 HH12 ARG 37 -8.269 7.870 12.713 322 H PHE 38 HN PHE 38 -14.146 5.734 5.336 323 HA PHE 38 HA PHE 38 -15.269 8.469 5.844 324 1HB PHE 38 HB2 PHE 38 -13.836 7.606 3.314 325 2HB PHE 38 HB1 PHE 38 -14.490 9.203 3.671 326 HD1 PHE 38 HD1 PHE 38 -11.760 6.854 4.268 327 HD2 PHE 38 HD2 PHE 38 -13.455 10.629 5.415 328 HE1 PHE 38 HE1 PHE 38 -9.625 7.478 5.365 329 HE2 PHE 38 HE2 PHE 38 -11.321 11.255 6.512 330 HZ PHE 38 HZ PHE 38 -9.405 9.679 6.485 331 HA PRO 39 HA PRO 39 -18.592 5.503 4.364 332 1HB PRO 39 HB2 PRO 39 -20.046 7.873 5.515 333 2HB PRO 39 HB1 PRO 39 -20.445 6.146 5.631 334 1HG PRO 39 HG2 PRO 39 -19.319 7.395 7.673 335 2HG PRO 39 HG1 PRO 39 -18.825 5.747 7.243 336 1HD PRO 39 HD2 PRO 39 -17.367 8.324 6.807 337 2HD PRO 39 HD1 PRO 39 -16.712 6.699 7.112 338 H PHE 40 HN PHE 40 -17.504 8.606 3.534 339 HA PHE 40 HA PHE 40 -19.491 9.529 1.726 340 1HB PHE 40 HB2 PHE 40 -17.778 11.052 2.312 341 2HB PHE 40 HB1 PHE 40 -16.502 9.903 1.921 342 HD1 PHE 40 HD1 PHE 40 -15.491 9.932 -0.203 343 HD2 PHE 40 HD2 PHE 40 -19.290 11.861 0.366 344 HE1 PHE 40 HE1 PHE 40 -15.376 10.841 -2.508 345 HE2 PHE 40 HE2 PHE 40 -19.174 12.768 -1.940 346 HZ PHE 40 HZ PHE 40 -17.217 12.258 -3.377 347 H TYR 41 HN TYR 41 -16.774 7.286 1.242 348 HA TYR 41 HA TYR 41 -17.128 7.039 -1.598 349 1HB TYR 41 HB2 TYR 41 -15.790 5.272 0.458 350 2HB TYR 41 HB1 TYR 41 -15.777 4.909 -1.271 351 HD1 TYR 41 HD1 TYR 41 -14.861 7.455 1.262 352 HD2 TYR 41 HD2 TYR 41 -14.359 6.102 -2.775 353 HE1 TYR 41 HE1 TYR 41 -13.031 9.090 0.954 354 HE2 TYR 41 HE2 TYR 41 -12.530 7.733 -3.104 355 HH TYR 41 HH TYR 41 -11.095 9.439 -0.482 356 H ARG 42 HN ARG 42 -18.864 5.640 1.075 357 HA ARG 42 HA ARG 42 -19.773 3.250 -0.177 358 1HB ARG 42 HB2 ARG 42 -21.136 5.073 1.820 359 2HB ARG 42 HB1 ARG 42 -21.802 3.522 1.313 360 1HG ARG 42 HG2 ARG 42 -19.756 2.391 2.095 361 2HG ARG 42 HG1 ARG 42 -19.097 3.940 2.618 362 1HD ARG 42 HD2 ARG 42 -20.931 4.246 4.187 363 2HD ARG 42 HD1 ARG 42 -21.719 2.781 3.621 364 HE ARG 42 HE ARG 42 -19.646 2.986 5.616 365 1HH1 ARG 42 HH21 ARG 42 -20.610 1.043 2.927 366 2HH1 ARG 42 HH22 ARG 42 -19.666 -0.322 3.424 367 1HH2 ARG 42 HH11 ARG 42 -18.439 1.216 6.271 368 2HH2 ARG 42 HH12 ARG 42 -18.442 -0.224 5.308 369 H GLU 43 HN GLU 43 -21.004 6.583 -0.353 370 HA GLU 43 HA GLU 43 -23.333 5.965 -1.875 371 1HB GLU 43 HB2 GLU 43 -21.678 8.484 -1.677 372 2HB GLU 43 HB1 GLU 43 -23.197 8.394 -2.572 373 1HG GLU 43 HG2 GLU 43 -24.384 7.705 -0.543 374 2HG GLU 43 HG1 GLU 43 -22.872 7.715 0.366 375 H ASN 44 HN ASN 44 -20.058 6.730 -2.832 376 HA ASN 44 HA ASN 44 -20.758 6.194 -5.696 377 1HB ASN 44 HB2 ASN 44 -18.330 7.527 -4.457 378 2HB ASN 44 HB1 ASN 44 -18.561 7.258 -6.187 379 1HD2 ASN 44 HD21 ASN 44 -18.636 9.771 -4.213 380 2HD2 ASN 44 HD22 ASN 44 -19.993 10.618 -4.781 381 H LYS 45 HN LYS 45 -20.539 4.009 -6.036 382 HA LYS 45 HA LYS 45 -18.238 2.579 -4.812 383 1HB LYS 45 HB2 LYS 45 -20.717 1.617 -6.251 384 2HB LYS 45 HB1 LYS 45 -19.408 0.547 -5.749 385 1HG LYS 45 HG2 LYS 45 -19.702 1.279 -3.409 386 2HG LYS 45 HG1 LYS 45 -21.013 2.347 -3.910 387 1HD LYS 45 HD2 LYS 45 -22.297 0.410 -4.724 388 2HD LYS 45 HD1 LYS 45 -20.986 -0.668 -4.244 389 1HE LYS 45 HE2 LYS 45 -22.382 1.181 -2.297 390 2HE LYS 45 HE1 LYS 45 -22.900 -0.482 -2.577 391 1HZ LYS 45 HZ1 LYS 45 -21.307 -1.183 -1.233 392 2HZ LYS 45 HZ2 LYS 45 -20.839 0.421 -0.927 393 3HZ LYS 45 HZ3 LYS 45 -20.120 -0.449 -2.198 394 H GLN 46 HN GLN 46 -19.611 3.331 -8.014 395 HA GLN 46 HA GLN 46 -17.450 1.904 -9.381 396 1HB GLN 46 HB2 GLN 46 -19.627 3.766 -10.363 397 2HB GLN 46 HB1 GLN 46 -18.441 3.013 -11.429 398 1HG GLN 46 HG2 GLN 46 -19.181 0.790 -10.753 399 2HG GLN 46 HG1 GLN 46 -20.294 1.488 -9.574 400 1HE2 GLN 46 HE21 GLN 46 -21.222 -0.194 -11.723 401 2HE2 GLN 46 HE22 GLN 46 -22.164 0.757 -12.766 402 H GLY 47 HN GLY 47 -15.694 2.854 -10.452 403 1HA GLY 47 HA2 GLY 47 -14.461 4.771 -11.297 404 2HA GLY 47 HA1 GLY 47 -15.295 5.796 -10.135 405 H TRP 48 HN TRP 48 -14.786 5.247 -7.761 406 HA TRP 48 HA TRP 48 -11.928 5.340 -7.451 407 1HB TRP 48 HB2 TRP 48 -12.317 5.730 -5.168 408 2HB TRP 48 HB1 TRP 48 -13.727 6.416 -5.963 409 HD1 TRP 48 HD1 TRP 48 -16.015 4.953 -5.850 410 HE1 TRP 48 HE1 TRP 48 -16.840 3.313 -4.046 411 HE3 TRP 48 HE3 TRP 48 -11.611 3.974 -3.456 412 HZ2 TRP 48 HZ2 TRP 48 -15.783 1.781 -1.877 413 HZ3 TRP 48 HZ3 TRP 48 -11.551 2.423 -1.527 414 HH2 TRP 48 HH2 TRP 48 -13.628 1.326 -0.732 415 H GLN 49 HN GLN 49 -14.185 2.674 -7.372 416 HA GLN 49 HA GLN 49 -12.710 0.895 -5.734 417 1HB GLN 49 HB2 GLN 49 -15.004 0.431 -6.516 418 2HB GLN 49 HB1 GLN 49 -14.391 0.201 -8.155 419 1HG GLN 49 HG2 GLN 49 -13.042 -1.691 -7.447 420 2HG GLN 49 HG1 GLN 49 -13.463 -1.407 -5.757 421 1HE2 GLN 49 HE21 GLN 49 -14.679 -3.302 -5.324 422 2HE2 GLN 49 HE22 GLN 49 -16.091 -3.723 -6.166 423 H ASN 50 HN ASN 50 -12.534 1.236 -9.309 424 HA ASN 50 HA ASN 50 -10.369 -0.682 -9.494 425 1HB ASN 50 HB2 ASN 50 -11.492 1.333 -11.446 426 2HB ASN 50 HB1 ASN 50 -10.150 0.264 -11.848 427 1HD2 ASN 50 HD21 ASN 50 -12.658 0.078 -13.219 428 2HD2 ASN 50 HD22 ASN 50 -13.377 -1.406 -12.815 429 H SER 51 HN SER 51 -10.493 2.842 -9.235 430 HA SER 51 HA SER 51 -7.828 3.401 -10.022 431 1HB SER 51 HB2 SER 51 -8.085 5.503 -8.866 432 2HB SER 51 HB1 SER 51 -9.642 5.091 -9.580 433 HG SER 51 HG SER 51 -9.999 5.671 -7.466 434 H ILE 52 HN ILE 52 -9.091 2.338 -6.876 435 HA ILE 52 HA ILE 52 -6.740 2.804 -5.352 436 HB ILE 52 HB ILE 52 -8.882 0.679 -5.107 437 1HG1 ILE 52 HG12 ILE 52 -9.347 3.257 -4.870 438 2HG1 ILE 52 HG11 ILE 52 -10.007 2.150 -3.677 439 1HG2 ILE 52 HG21 ILE 52 -7.078 -0.220 -3.889 440 2HG2 ILE 52 HG22 ILE 52 -8.045 0.616 -2.675 441 3HG2 ILE 52 HG23 ILE 52 -6.573 1.361 -3.297 442 1HD1 ILE 52 HD11 ILE 52 -7.349 3.545 -3.283 443 2HD1 ILE 52 HD12 ILE 52 -8.325 2.707 -2.080 444 3HD1 ILE 52 HD13 ILE 52 -8.880 4.239 -2.754 445 H ARG 53 HN ARG 53 -7.747 -0.168 -7.069 446 HA ARG 53 HA ARG 53 -5.310 -1.597 -6.464 447 1HB ARG 53 HB2 ARG 53 -7.478 -2.016 -8.537 448 2HB ARG 53 HB1 ARG 53 -6.129 -3.132 -8.304 449 1HG ARG 53 HG2 ARG 53 -6.773 -3.599 -6.066 450 2HG ARG 53 HG1 ARG 53 -7.913 -2.267 -6.033 451 1HD ARG 53 HD2 ARG 53 -8.997 -4.520 -6.334 452 2HD ARG 53 HD1 ARG 53 -9.362 -3.373 -7.623 453 HE ARG 53 HE ARG 53 -7.120 -4.755 -8.532 454 1HH1 ARG 53 HH21 ARG 53 -10.279 -5.518 -7.382 455 2HH1 ARG 53 HH22 ARG 53 -10.421 -6.962 -8.330 456 1HH2 ARG 53 HH11 ARG 53 -7.290 -6.634 -9.782 457 2HH2 ARG 53 HH12 ARG 53 -8.728 -7.592 -9.687 458 H HIS 54 HN HIS 54 -6.362 0.337 -9.272 459 HA HIS 54 HA HIS 54 -4.154 -0.298 -10.962 460 1HB HIS 54 HB2 HIS 54 -5.813 2.230 -10.741 461 2HB HIS 54 HB1 HIS 54 -4.611 1.966 -12.002 462 HD1 HIS 54 HD1 HIS 54 -7.525 2.310 -12.823 463 HD2 HIS 54 HD2 HIS 54 -5.839 -1.421 -12.025 464 HE1 HIS 54 HE1 HIS 54 -8.956 0.603 -14.023 465 H ASN 55 HN ASN 55 -4.548 2.136 -8.416 466 HA ASN 55 HA ASN 55 -2.058 3.475 -8.789 467 1HB ASN 55 HB2 ASN 55 -3.700 2.937 -6.294 468 2HB ASN 55 HB1 ASN 55 -2.287 3.994 -6.319 469 1HD2 ASN 55 HD21 ASN 55 -5.202 4.690 -5.880 470 2HD2 ASN 55 HD22 ASN 55 -5.557 5.863 -7.056 471 H LEU 56 HN LEU 56 -2.959 0.553 -6.984 472 HA LEU 56 HA LEU 56 -0.372 0.115 -5.829 473 1HB LEU 56 HB2 LEU 56 -2.653 -1.782 -6.418 474 2HB LEU 56 HB1 LEU 56 -1.197 -2.259 -5.551 475 HG LEU 56 HG LEU 56 -3.015 0.018 -4.708 476 1HD1 LEU 56 HD11 LEU 56 -3.562 -1.656 -2.821 477 2HD1 LEU 56 HD12 LEU 56 -2.902 -2.888 -3.894 478 3HD1 LEU 56 HD13 LEU 56 -4.303 -1.943 -4.393 479 1HD2 LEU 56 HD21 LEU 56 -1.682 -0.601 -2.472 480 2HD2 LEU 56 HD22 LEU 56 -1.003 0.509 -3.654 481 3HD2 LEU 56 HD23 LEU 56 -0.476 -1.174 -3.623 482 H SER 57 HN SER 57 -1.870 -0.985 -8.861 483 HA SER 57 HA SER 57 0.408 -2.635 -9.593 484 1HB SER 57 HB2 SER 57 -0.699 -2.849 -11.756 485 2HB SER 57 HB1 SER 57 -1.895 -3.015 -10.474 486 HG SER 57 HG SER 57 -1.610 -0.432 -11.094 487 H LEU 58 HN LEU 58 -0.769 0.570 -10.695 488 HA LEU 58 HA LEU 58 1.430 1.047 -12.469 489 1HB LEU 58 HB2 LEU 58 -0.353 2.977 -10.960 490 2HB LEU 58 HB1 LEU 58 0.787 3.462 -12.211 491 HG LEU 58 HG LEU 58 -1.290 1.341 -12.768 492 1HD1 LEU 58 HD11 LEU 58 -2.553 3.257 -11.940 493 2HD1 LEU 58 HD12 LEU 58 -2.728 3.166 -13.691 494 3HD1 LEU 58 HD13 LEU 58 -1.634 4.348 -12.976 495 1HD2 LEU 58 HD21 LEU 58 -1.040 2.328 -15.086 496 2HD2 LEU 58 HD22 LEU 58 0.420 1.565 -14.467 497 3HD2 LEU 58 HD23 LEU 58 0.273 3.321 -14.458 498 H ASN 59 HN ASN 59 0.914 1.797 -9.037 499 HA ASN 59 HA ASN 59 3.551 3.080 -8.832 500 1HB ASN 59 HB2 ASN 59 1.380 3.632 -7.470 501 2HB ASN 59 HB1 ASN 59 1.860 2.263 -6.469 502 1HD2 ASN 59 HD21 ASN 59 2.145 5.567 -6.625 503 2HD2 ASN 59 HD22 ASN 59 3.622 5.766 -5.810 504 H GLU 60 HN GLU 60 5.332 1.845 -8.720 505 HA GLU 60 HA GLU 60 5.133 -0.992 -7.947 506 1HB GLU 60 HB2 GLU 60 7.490 0.670 -8.887 507 2HB GLU 60 HB1 GLU 60 7.478 -1.084 -8.699 508 1HG GLU 60 HG2 GLU 60 5.675 -1.267 -10.366 509 2HG GLU 60 HG1 GLU 60 5.655 0.487 -10.550 510 H CYS 61 HN CYS 61 5.423 1.799 -6.222 511 HA CYS 61 HA CYS 61 7.634 1.339 -4.484 512 1HB CYS 61 HB2 CYS 61 4.953 2.643 -3.909 513 2HB CYS 61 HB1 CYS 61 6.354 2.724 -2.843 514 HG CYS 61 HG CYS 61 6.033 4.725 -4.818 515 H PHE 62 HN PHE 62 4.285 0.173 -4.411 516 HA PHE 62 HA PHE 62 4.662 -1.271 -1.897 517 1HB PHE 62 HB2 PHE 62 2.487 -1.560 -3.996 518 2HB PHE 62 HB1 PHE 62 2.430 -2.163 -2.340 519 HD1 PHE 62 HD1 PHE 62 2.241 -0.614 -0.432 520 HD2 PHE 62 HD2 PHE 62 2.212 0.796 -4.488 521 HE1 PHE 62 HE1 PHE 62 1.372 1.579 0.334 522 HE2 PHE 62 HE2 PHE 62 1.342 2.988 -3.722 523 HZ PHE 62 HZ PHE 62 0.922 3.379 -1.310 524 H VAL 63 HN VAL 63 4.962 -3.518 -1.693 525 HA VAL 63 HA VAL 63 5.700 -5.002 -4.203 526 HB VAL 63 HB VAL 63 6.876 -5.298 -1.420 527 1HG1 VAL 63 HG11 VAL 63 6.987 -7.400 -2.556 528 2HG1 VAL 63 HG12 VAL 63 8.580 -6.665 -2.733 529 3HG1 VAL 63 HG13 VAL 63 7.439 -6.631 -4.077 530 1HG2 VAL 63 HG21 VAL 63 7.651 -3.218 -2.345 531 2HG2 VAL 63 HG22 VAL 63 7.898 -3.948 -3.932 532 3HG2 VAL 63 HG23 VAL 63 8.946 -4.392 -2.586 533 H LYS 64 HN LYS 64 4.516 -6.859 -4.503 534 HA LYS 64 HA LYS 64 2.382 -7.527 -2.692 535 1HB LYS 64 HB2 LYS 64 3.600 -9.047 -5.010 536 2HB LYS 64 HB1 LYS 64 2.186 -9.607 -4.119 537 1HG LYS 64 HG2 LYS 64 0.991 -7.531 -4.697 538 2HG LYS 64 HG1 LYS 64 2.403 -6.967 -5.595 539 1HD LYS 64 HD2 LYS 64 2.248 -8.930 -7.080 540 2HD LYS 64 HD1 LYS 64 0.835 -9.495 -6.189 541 1HE LYS 64 HE2 LYS 64 -0.443 -7.563 -6.860 542 2HE LYS 64 HE1 LYS 64 0.979 -6.807 -7.581 543 1HZ LYS 64 HZ1 LYS 64 0.260 -7.771 -9.448 544 2HZ LYS 64 HZ2 LYS 64 -0.752 -8.861 -8.628 545 3HZ LYS 64 HZ3 LYS 64 0.902 -9.204 -8.806 546 H VAL 65 HN VAL 65 2.267 -9.064 -1.103 547 HA VAL 65 HA VAL 65 4.794 -10.508 -0.395 548 HB VAL 65 HB VAL 65 2.463 -9.691 1.348 549 1HG1 VAL 65 HG11 VAL 65 4.066 -10.366 3.190 550 2HG1 VAL 65 HG12 VAL 65 5.081 -11.090 1.942 551 3HG1 VAL 65 HG13 VAL 65 3.452 -11.706 2.220 552 1HG2 VAL 65 HG21 VAL 65 5.301 -8.631 1.224 553 2HG2 VAL 65 HG22 VAL 65 4.034 -8.080 2.322 554 3HG2 VAL 65 HG23 VAL 65 3.882 -7.797 0.588 555 HA PRO 66 HA PRO 66 2.050 -13.968 -1.467 556 1HB PRO 66 HB2 PRO 66 3.858 -15.999 -1.312 557 2HB PRO 66 HB1 PRO 66 3.820 -14.857 -2.669 558 1HG PRO 66 HG2 PRO 66 5.635 -14.920 -0.305 559 2HG PRO 66 HG1 PRO 66 6.002 -14.543 -1.996 560 1HD PRO 66 HD2 PRO 66 5.635 -12.625 -0.035 561 2HD PRO 66 HD1 PRO 66 5.379 -12.325 -1.769 562 H ARG 67 HN ARG 67 1.693 -16.273 -0.410 563 HA ARG 67 HA ARG 67 2.045 -16.155 2.556 564 1HB ARG 67 HB2 ARG 67 -0.305 -16.764 2.877 565 2HB ARG 67 HB1 ARG 67 -0.203 -15.255 1.972 566 1HG ARG 67 HG2 ARG 67 -0.463 -16.539 -0.142 567 2HG ARG 67 HG1 ARG 67 -0.679 -18.013 0.797 568 1HD ARG 67 HD2 ARG 67 -2.608 -16.955 1.958 569 2HD ARG 67 HD1 ARG 67 -2.444 -15.549 0.911 570 HE ARG 67 HE ARG 67 -3.762 -18.033 0.282 571 1HH1 ARG 67 HH21 ARG 67 -1.683 -15.659 -1.117 572 2HH1 ARG 67 HH22 ARG 67 -1.981 -16.179 -2.742 573 1HH2 ARG 67 HH11 ARG 67 -4.161 -18.706 -1.821 574 2HH2 ARG 67 HH12 ARG 67 -3.381 -17.896 -3.139 575 H ASP 68 HN ASP 68 1.769 -18.317 3.549 576 HA ASP 68 HA ASP 68 2.984 -20.398 1.983 577 1HB ASP 68 HB2 ASP 68 2.953 -20.144 4.558 578 2HB ASP 68 HB1 ASP 68 1.359 -20.895 4.482 579 H ASP 69 HN ASP 69 1.833 -22.606 1.723 580 HA ASP 69 HA ASP 69 -0.732 -22.088 0.342 581 1HB ASP 69 HB2 ASP 69 1.014 -24.562 0.506 582 2HB ASP 69 HB1 ASP 69 -0.456 -24.432 -0.461 583 H LYS 70 HN LYS 70 0.164 -22.925 3.445 584 HA LYS 70 HA LYS 70 -2.091 -24.807 3.878 585 1HB LYS 70 HB2 LYS 70 0.084 -23.759 5.710 586 2HB LYS 70 HB1 LYS 70 -1.216 -24.823 6.247 587 1HG LYS 70 HG2 LYS 70 -0.529 -26.512 4.583 588 2HG LYS 70 HG1 LYS 70 0.774 -25.452 4.046 589 1HD LYS 70 HD2 LYS 70 1.767 -25.522 6.306 590 2HD LYS 70 HD1 LYS 70 0.465 -26.585 6.843 591 1HE LYS 70 HE2 LYS 70 1.146 -28.239 5.103 592 2HE LYS 70 HE1 LYS 70 2.501 -27.193 4.678 593 1HZ LYS 70 HZ1 LYS 70 3.657 -28.037 6.346 594 2HZ LYS 70 HZ2 LYS 70 2.377 -29.095 6.708 595 3HZ LYS 70 HZ3 LYS 70 2.466 -27.575 7.462 596 H LYS 71 HN LYS 71 -1.880 -21.601 3.496 597 HA LYS 71 HA LYS 71 -4.065 -21.036 5.477 598 1HB LYS 71 HB2 LYS 71 -1.786 -19.218 4.640 599 2HB LYS 71 HB1 LYS 71 -3.150 -18.720 5.633 600 1HG LYS 71 HG2 LYS 71 -1.439 -21.077 6.428 601 2HG LYS 71 HG1 LYS 71 -0.942 -19.434 6.818 602 1HD LYS 71 HD2 LYS 71 -3.255 -19.132 7.879 603 2HD LYS 71 HD1 LYS 71 -3.439 -20.879 7.727 604 1HE LYS 71 HE2 LYS 71 -1.217 -21.087 8.963 605 2HE LYS 71 HE1 LYS 71 -1.362 -19.365 9.319 606 1HZ LYS 71 HZ1 LYS 71 -2.300 -20.526 11.130 607 2HZ LYS 71 HZ2 LYS 71 -3.212 -21.539 10.115 608 3HZ LYS 71 HZ3 LYS 71 -3.605 -19.891 10.250 609 HA PRO 72 HA PRO 72 -5.358 -20.012 1.129 610 1HB PRO 72 HB2 PRO 72 -7.905 -21.314 1.774 611 2HB PRO 72 HB1 PRO 72 -6.727 -21.742 0.526 612 1HG PRO 72 HG2 PRO 72 -7.194 -23.261 2.737 613 2HG PRO 72 HG1 PRO 72 -5.649 -23.237 1.873 614 1HD PRO 72 HD2 PRO 72 -6.399 -21.847 4.429 615 2HD PRO 72 HD1 PRO 72 -4.870 -22.636 3.977 616 H GLY 73 HN GLY 73 -7.954 -19.272 0.664 617 1HA GLY 73 HA2 GLY 73 -9.546 -17.593 1.053 618 2HA GLY 73 HA1 GLY 73 -9.165 -17.725 2.769 619 H LYS 74 HN LYS 74 -6.794 -16.820 3.223 620 HA LYS 74 HA LYS 74 -6.877 -14.012 2.561 621 1HB LYS 74 HB2 LYS 74 -4.875 -15.803 3.940 622 2HB LYS 74 HB1 LYS 74 -4.482 -14.120 3.593 623 1HG LYS 74 HG2 LYS 74 -5.411 -14.304 5.847 624 2HG LYS 74 HG1 LYS 74 -6.528 -13.413 4.814 625 1HD LYS 74 HD2 LYS 74 -7.990 -15.268 4.601 626 2HD LYS 74 HD1 LYS 74 -6.779 -16.397 5.207 627 1HE LYS 74 HE2 LYS 74 -7.812 -14.138 6.924 628 2HE LYS 74 HE1 LYS 74 -8.653 -15.685 6.836 629 1HZ LYS 74 HZ1 LYS 74 -5.825 -15.268 7.634 630 2HZ LYS 74 HZ2 LYS 74 -6.574 -16.783 7.467 631 3HZ LYS 74 HZ3 LYS 74 -7.105 -15.696 8.659 632 H GLY 75 HN GLY 75 -5.782 -12.908 0.964 633 1HA GLY 75 HA2 GLY 75 -4.417 -14.551 -1.104 634 2HA GLY 75 HA1 GLY 75 -4.978 -12.890 -1.306 635 H SER 76 HN SER 76 -2.838 -12.354 -2.121 636 HA SER 76 HA SER 76 -0.528 -12.612 -0.346 637 1HB SER 76 HB2 SER 76 -0.992 -11.137 -2.954 638 2HB SER 76 HB1 SER 76 0.546 -11.110 -2.099 639 HG SER 76 HG SER 76 -0.409 -13.627 -2.310 640 H TYR 77 HN TYR 77 0.083 -11.104 1.183 641 HA TYR 77 HA TYR 77 -1.721 -8.867 1.695 642 1HB TYR 77 HB2 TYR 77 0.955 -9.373 3.020 643 2HB TYR 77 HB1 TYR 77 -0.404 -8.446 3.641 644 HD1 TYR 77 HD1 TYR 77 0.836 -11.841 2.867 645 HD2 TYR 77 HD2 TYR 77 -2.305 -9.528 4.661 646 HE1 TYR 77 HE1 TYR 77 -0.063 -13.894 3.928 647 HE2 TYR 77 HE2 TYR 77 -3.212 -11.581 5.722 648 HH TYR 77 HH TYR 77 -3.008 -14.250 5.034 649 H TRP 78 HN TRP 78 -0.949 -6.625 1.867 650 HA TRP 78 HA TRP 78 1.155 -5.984 -0.176 651 1HB TRP 78 HB2 TRP 78 -1.339 -4.494 0.685 652 2HB TRP 78 HB1 TRP 78 -0.087 -3.783 -0.336 653 HD1 TRP 78 HD1 TRP 78 -2.646 -6.656 -0.314 654 HE1 TRP 78 HE1 TRP 78 -3.122 -7.336 -2.755 655 HE3 TRP 78 HE3 TRP 78 0.769 -3.734 -2.719 656 HZ2 TRP 78 HZ2 TRP 78 -2.170 -6.713 -5.390 657 HZ3 TRP 78 HZ3 TRP 78 0.968 -3.792 -5.186 658 HH2 TRP 78 HH2 TRP 78 -0.497 -5.269 -6.524 659 H THR 79 HN THR 79 2.806 -4.608 0.444 660 HA THR 79 HA THR 79 2.658 -3.296 3.115 661 HB THR 79 HB THR 79 3.719 -5.567 3.362 662 HG1 THR 79 HG1 THR 79 5.470 -3.365 3.713 663 1HG2 THR 79 HG21 THR 79 5.989 -4.383 1.752 664 2HG2 THR 79 HG22 THR 79 4.780 -5.454 1.044 665 3HG2 THR 79 HG23 THR 79 5.824 -6.039 2.339 666 H LEU 80 HN LEU 80 4.386 -1.662 3.381 667 HA LEU 80 HA LEU 80 4.712 0.009 1.096 668 1HB LEU 80 HB2 LEU 80 6.371 -0.088 3.634 669 2HB LEU 80 HB1 LEU 80 6.337 1.251 2.491 670 HG LEU 80 HG LEU 80 3.902 0.228 3.978 671 1HD1 LEU 80 HD11 LEU 80 5.437 1.145 5.600 672 2HD1 LEU 80 HD12 LEU 80 4.198 2.362 5.301 673 3HD1 LEU 80 HD13 LEU 80 5.790 2.525 4.561 674 1HD2 LEU 80 HD21 LEU 80 3.111 1.374 2.080 675 2HD2 LEU 80 HD22 LEU 80 4.445 2.526 2.094 676 3HD2 LEU 80 HD23 LEU 80 3.161 2.648 3.295 677 H ASP 81 HN ASP 81 7.743 0.027 2.245 678 HA ASP 81 HA ASP 81 8.817 -2.030 0.366 679 1HB ASP 81 HB2 ASP 81 8.796 0.185 -0.788 680 2HB ASP 81 HB1 ASP 81 9.767 0.852 0.525 681 HA PRO 82 HA PRO 82 10.547 -2.085 4.745 682 1HB PRO 82 HB2 PRO 82 10.671 -4.960 3.875 683 2HB PRO 82 HB1 PRO 82 10.201 -4.278 5.445 684 1HG PRO 82 HG2 PRO 82 8.366 -5.179 3.779 685 2HG PRO 82 HG1 PRO 82 8.091 -3.678 4.685 686 1HD PRO 82 HD2 PRO 82 8.842 -4.023 1.795 687 2HD PRO 82 HD1 PRO 82 7.740 -2.843 2.541 688 H ASP 83 HN ASP 83 12.349 -4.660 4.375 689 HA ASP 83 HA ASP 83 14.725 -3.141 3.496 690 1HB ASP 83 HB2 ASP 83 14.375 -5.901 4.714 691 2HB ASP 83 HB1 ASP 83 15.936 -5.208 4.274 692 H SER 84 HN SER 84 13.923 -3.081 1.257 693 HA SER 84 HA SER 84 13.422 -5.409 -0.298 694 1HB SER 84 HB2 SER 84 13.673 -3.952 -2.207 695 2HB SER 84 HB1 SER 84 12.898 -3.034 -0.916 696 HG SER 84 HG SER 84 15.499 -2.798 -0.583 697 H TYR 85 HN TYR 85 16.292 -4.277 1.101 698 HA TYR 85 HA TYR 85 18.260 -5.062 -0.794 699 1HB TYR 85 HB2 TYR 85 18.784 -3.835 1.290 700 2HB TYR 85 HB1 TYR 85 18.349 -5.258 2.236 701 HD1 TYR 85 HD1 TYR 85 19.753 -7.255 2.240 702 HD2 TYR 85 HD2 TYR 85 20.838 -3.779 -0.038 703 HE1 TYR 85 HE1 TYR 85 22.048 -8.151 1.968 704 HE2 TYR 85 HE2 TYR 85 23.134 -4.677 -0.313 705 HH TYR 85 HH TYR 85 24.155 -7.641 1.331 706 H ASN 86 HN ASN 86 16.140 -6.920 1.271 707 HA ASN 86 HA ASN 86 17.616 -9.390 1.139 708 1HB ASN 86 HB2 ASN 86 14.714 -8.781 1.735 709 2HB ASN 86 HB1 ASN 86 15.382 -10.413 1.793 710 1HD2 ASN 86 HD21 ASN 86 17.945 -9.830 2.914 711 2HD2 ASN 86 HD22 ASN 86 17.725 -9.257 4.496 712 H MET 87 HN MET 87 15.615 -7.705 -1.042 713 HA MET 87 HA MET 87 14.923 -10.057 -2.643 714 1HB MET 87 HB2 MET 87 14.599 -7.084 -3.083 715 2HB MET 87 HB1 MET 87 14.245 -8.246 -4.359 716 1HG MET 87 HG2 MET 87 12.728 -9.418 -2.631 717 2HG MET 87 HG1 MET 87 12.891 -7.946 -1.674 718 1HE MET 87 HE1 MET 87 12.968 -5.561 -3.769 719 2HE MET 87 HE2 MET 87 12.161 -5.744 -2.215 720 3HE MET 87 HE3 MET 87 11.244 -5.200 -3.614 721 H PHE 88 HN PHE 88 15.521 -9.449 -5.223 722 HA PHE 88 HA PHE 88 18.277 -10.128 -5.429 723 1HB PHE 88 HB2 PHE 88 16.525 -8.883 -7.567 724 2HB PHE 88 HB1 PHE 88 17.980 -9.848 -7.825 725 HD1 PHE 88 HD1 PHE 88 14.414 -9.929 -7.328 726 HD2 PHE 88 HD2 PHE 88 18.006 -12.256 -6.950 727 HE1 PHE 88 HE1 PHE 88 13.061 -12.005 -7.244 728 HE2 PHE 88 HE2 PHE 88 16.651 -14.333 -6.870 729 HZ PHE 88 HZ PHE 88 14.179 -14.207 -7.016 730 H GLU 89 HN GLU 89 18.519 -8.063 -7.730 731 HA GLU 89 HA GLU 89 19.364 -5.711 -6.075 732 1HB GLU 89 HB2 GLU 89 20.923 -7.066 -8.296 733 2HB GLU 89 HB1 GLU 89 21.370 -5.531 -7.550 734 1HG GLU 89 HG2 GLU 89 21.002 -8.111 -6.005 735 2HG GLU 89 HG1 GLU 89 22.564 -7.515 -6.565 736 H ASN 90 HN ASN 90 17.054 -6.381 -7.980 737 HA ASN 90 HA ASN 90 17.410 -4.006 -9.784 738 1HB ASN 90 HB2 ASN 90 17.430 -6.111 -11.079 739 2HB ASN 90 HB1 ASN 90 15.879 -6.557 -10.369 740 1HD2 ASN 90 HD21 ASN 90 16.765 -3.240 -11.334 741 2HD2 ASN 90 HD22 ASN 90 15.617 -3.119 -12.578 742 H GLY 91 HN GLY 91 15.872 -2.466 -9.524 743 1HA GLY 91 HA2 GLY 91 13.137 -2.790 -9.137 744 2HA GLY 91 HA1 GLY 91 13.824 -2.757 -7.510 745 H SER 92 HN SER 92 13.279 -0.747 -6.801 746 HA SER 92 HA SER 92 14.010 1.619 -8.497 747 1HB SER 92 HB2 SER 92 12.306 2.859 -7.311 748 2HB SER 92 HB1 SER 92 11.584 1.365 -7.902 749 HG SER 92 HG SER 92 11.015 1.268 -5.851 750 H PHE 93 HN PHE 93 15.269 -0.159 -6.070 751 HA PHE 93 HA PHE 93 15.954 2.013 -4.214 752 1HB PHE 93 HB2 PHE 93 15.671 -0.405 -3.519 753 2HB PHE 93 HB1 PHE 93 17.164 -0.760 -4.387 754 HD1 PHE 93 HD1 PHE 93 15.684 0.870 -1.447 755 HD2 PHE 93 HD2 PHE 93 19.323 0.136 -3.610 756 HE1 PHE 93 HE1 PHE 93 17.003 1.613 0.518 757 HE2 PHE 93 HE2 PHE 93 20.639 0.878 -1.643 758 HZ PHE 93 HZ PHE 93 19.481 1.616 0.419 759 H LEU 94 HN LEU 94 17.627 3.385 -4.549 760 HA LEU 94 HA LEU 94 19.677 2.693 -6.615 761 1HB LEU 94 HB2 LEU 94 18.585 5.273 -5.505 762 2HB LEU 94 HB1 LEU 94 20.179 5.253 -6.256 763 HG LEU 94 HG LEU 94 19.217 4.325 -8.316 764 1HD1 LEU 94 HD11 LEU 94 16.626 4.388 -8.423 765 2HD1 LEU 94 HD12 LEU 94 16.692 4.337 -6.661 766 3HD1 LEU 94 HD13 LEU 94 17.381 3.020 -7.609 767 1HD2 LEU 94 HD21 LEU 94 19.288 6.807 -7.920 768 2HD2 LEU 94 HD22 LEU 94 17.619 6.718 -7.357 769 3HD2 LEU 94 HD23 LEU 94 18.009 6.312 -9.028
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