NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
275138 | 2knr | 16476 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 0.521 0.387 0.963 2 HA MET 1 HA MET 1 1.628 1.473 -1.549 3 HB2 MET 1 HB2 MET 1 3.062 2.055 0.339 4 HB3 MET 1 HB3 MET 1 2.991 0.413 0.963 5 HG2 MET 1 HG2 MET 1 5.143 0.925 -0.115 6 HG3 MET 1 HG3 MET 1 4.298 -0.406 -0.905 7 HE1 MET 1 HE1 MET 1 6.008 -0.140 -2.970 8 HE2 MET 1 HE2 MET 1 6.785 1.202 -2.127 9 HE3 MET 1 HE3 MET 1 6.276 1.391 -3.803 10 H ARG 2 H ARG 2 2.064 -0.013 -3.099 11 HA ARG 2 HA ARG 2 1.350 -2.803 -2.825 12 HB2 ARG 2 HB2 ARG 2 2.815 -1.464 -5.144 13 HB3 ARG 2 HB3 ARG 2 1.880 -2.959 -5.184 14 HG2 ARG 2 HG2 ARG 2 -0.199 -1.688 -4.843 15 HG3 ARG 2 HG3 ARG 2 0.720 -0.188 -4.706 16 HD2 ARG 2 HD2 ARG 2 0.565 -1.955 -7.175 17 HD3 ARG 2 HD3 ARG 2 -0.300 -0.428 -6.937 18 HE ARG 2 HE ARG 2 2.385 0.128 -6.556 19 HH11 ARG 2 HH11 ARG 2 0.453 -1.071 -9.224 20 HH12 ARG 2 HH12 ARG 2 1.437 -0.313 -10.427 21 HH21 ARG 2 HH21 ARG 2 3.700 1.048 -8.131 22 HH22 ARG 2 HH22 ARG 2 3.297 0.876 -9.810 23 H LEU 3 H LEU 3 2.733 -3.947 -1.535 24 HA LEU 3 HA LEU 3 5.568 -4.132 -2.257 25 HB2 LEU 3 HB2 LEU 3 6.001 -4.178 0.382 26 HB3 LEU 3 HB3 LEU 3 6.017 -2.680 -0.523 27 HG LEU 3 HG LEU 3 3.710 -2.169 0.253 28 HD11 LEU 3 HD11 LEU 3 2.656 -3.470 2.032 29 HD12 LEU 3 HD12 LEU 3 3.920 -4.694 1.892 30 HD13 LEU 3 HD13 LEU 3 2.822 -4.396 0.542 31 HD21 LEU 3 HD21 LEU 3 5.628 -1.315 1.548 32 HD22 LEU 3 HD22 LEU 3 5.596 -2.759 2.563 33 HD23 LEU 3 HD23 LEU 3 4.235 -1.634 2.582 34 H LYS 4 H LYS 4 6.582 -5.924 -0.707 35 HA LYS 4 HA LYS 4 5.107 -8.324 -1.341 36 HB2 LYS 4 HB2 LYS 4 7.108 -9.500 -0.983 37 HB3 LYS 4 HB3 LYS 4 7.661 -7.959 -1.611 38 HG2 LYS 4 HG2 LYS 4 8.226 -7.256 0.696 39 HG3 LYS 4 HG3 LYS 4 7.668 -8.821 1.294 40 HD2 LYS 4 HD2 LYS 4 10.116 -8.789 1.129 41 HD3 LYS 4 HD3 LYS 4 9.427 -9.969 0.006 42 HE2 LYS 4 HE2 LYS 4 9.757 -8.434 -1.863 43 HE3 LYS 4 HE3 LYS 4 10.324 -7.168 -0.770 44 HZ1 LYS 4 HZ1 LYS 4 11.660 -9.759 -1.293 45 HZ2 LYS 4 HZ2 LYS 4 12.196 -8.592 -0.199 46 HZ3 LYS 4 HZ3 LYS 4 12.157 -8.245 -1.851 47 H SER 5 H SER 5 5.141 -10.155 0.351 48 HA SER 5 HA SER 5 3.354 -9.598 2.436 49 HB2 SER 5 HB2 SER 5 5.174 -12.024 2.151 50 HB3 SER 5 HB3 SER 5 3.635 -11.956 3.010 51 HG SER 5 HG SER 5 2.603 -12.095 1.178 52 H GLU 6 H GLU 6 6.850 -10.270 2.558 53 HA GLU 6 HA GLU 6 7.215 -10.132 5.361 54 HB2 GLU 6 HB2 GLU 6 8.847 -11.239 3.906 55 HB3 GLU 6 HB3 GLU 6 9.194 -9.730 3.069 56 HG2 GLU 6 HG2 GLU 6 10.322 -8.823 4.979 57 HG3 GLU 6 HG3 GLU 6 9.732 -10.104 6.029 58 H MET 7 H MET 7 7.299 -7.690 2.840 59 HA MET 7 HA MET 7 8.397 -5.633 4.530 60 HB2 MET 7 HB2 MET 7 8.765 -5.711 2.036 61 HB3 MET 7 HB3 MET 7 7.064 -5.298 1.806 62 HG2 MET 7 HG2 MET 7 8.552 -3.341 1.616 63 HG3 MET 7 HG3 MET 7 7.398 -3.174 2.944 64 HE1 MET 7 HE1 MET 7 8.241 -1.973 4.995 65 HE2 MET 7 HE2 MET 7 9.136 -1.111 3.739 66 HE3 MET 7 HE3 MET 7 9.950 -1.605 5.223 67 H PHE 8 H PHE 8 5.212 -6.846 3.768 68 HA PHE 8 HA PHE 8 3.742 -4.490 4.503 69 HB2 PHE 8 HB2 PHE 8 2.804 -6.265 2.953 70 HB3 PHE 8 HB3 PHE 8 2.673 -7.350 4.332 71 HD1 PHE 8 HD2 PHE 8 0.997 -6.837 6.170 72 HD2 PHE 8 HD1 PHE 8 1.201 -4.467 2.617 73 HE1 PHE 8 HE2 PHE 8 -1.186 -5.829 6.696 74 HE2 PHE 8 HE1 PHE 8 -0.972 -3.468 3.158 75 HZ PHE 8 HZ PHE 8 -2.167 -4.145 5.199 76 H VAL 9 H VAL 9 4.606 -7.579 6.095 77 HA VAL 9 HA VAL 9 3.124 -7.181 8.464 78 HB VAL 9 HB VAL 9 4.514 -8.935 9.512 79 HG11 VAL 9 HG11 VAL 9 3.705 -9.597 6.671 80 HG12 VAL 9 HG12 VAL 9 2.651 -9.604 8.086 81 HG13 VAL 9 HG13 VAL 9 3.965 -10.774 7.963 82 HG21 VAL 9 HG21 VAL 9 6.343 -10.057 8.313 83 HG22 VAL 9 HG22 VAL 9 6.728 -8.362 8.602 84 HG23 VAL 9 HG23 VAL 9 6.212 -8.886 6.998 85 H SER 10 H SER 10 6.492 -6.374 7.671 86 HA SER 10 HA SER 10 7.260 -5.397 10.218 87 HB2 SER 10 HB2 SER 10 9.153 -4.320 8.941 88 HB3 SER 10 HB3 SER 10 8.945 -6.034 8.574 89 HG SER 10 HG SER 10 8.248 -3.789 6.998 90 H ALA 11 H ALA 11 5.967 -3.788 7.320 91 HA ALA 11 HA ALA 11 6.047 -1.115 8.288 92 HB1 ALA 11 HB1 ALA 11 4.265 -2.303 6.132 93 HB2 ALA 11 HB2 ALA 11 5.891 -1.664 5.889 94 HB3 ALA 11 HB3 ALA 11 4.589 -0.581 6.382 95 H LEU 12 H LEU 12 3.643 -3.673 8.529 96 HA LEU 12 HA LEU 12 1.382 -2.223 9.382 97 HB2 LEU 12 HB2 LEU 12 1.664 -4.705 8.569 98 HB3 LEU 12 HB3 LEU 12 1.958 -5.062 10.257 99 HG LEU 12 HG LEU 12 -0.614 -3.863 9.141 100 HD11 LEU 12 HD11 LEU 12 -0.273 -6.155 8.362 101 HD12 LEU 12 HD12 LEU 12 -1.627 -6.052 9.481 102 HD13 LEU 12 HD13 LEU 12 -0.080 -6.710 10.028 103 HD21 LEU 12 HD21 LEU 12 -1.640 -4.365 11.315 104 HD22 LEU 12 HD22 LEU 12 -0.309 -3.228 11.496 105 HD23 LEU 12 HD23 LEU 12 -0.081 -4.921 11.940 106 H ILE 13 H ILE 13 4.011 -3.761 11.080 107 HA ILE 13 HA ILE 13 3.222 -3.384 13.742 108 HB ILE 13 HB ILE 13 5.963 -3.647 12.441 109 HG12 ILE 13 HG12 ILE 13 4.312 -5.715 13.966 110 HG13 ILE 13 HG13 ILE 13 4.270 -5.542 12.221 111 HG21 ILE 13 HG21 ILE 13 6.883 -4.250 14.651 112 HG22 ILE 13 HG22 ILE 13 5.348 -3.825 15.410 113 HG23 ILE 13 HG23 ILE 13 6.315 -2.580 14.615 114 HD11 ILE 13 HD11 ILE 13 6.664 -6.308 13.861 115 HD12 ILE 13 HD12 ILE 13 6.606 -6.145 12.101 116 HD13 ILE 13 HD13 ILE 13 5.636 -7.380 12.906 117 H ARG 14 H ARG 14 5.048 -1.241 11.541 118 HA ARG 14 HA ARG 14 5.531 0.827 13.470 119 HB2 ARG 14 HB2 ARG 14 5.725 0.728 10.450 120 HB3 ARG 14 HB3 ARG 14 5.883 2.265 11.288 121 HG2 ARG 14 HG2 ARG 14 8.088 1.379 10.838 122 HG3 ARG 14 HG3 ARG 14 7.802 1.364 12.578 123 HD2 ARG 14 HD2 ARG 14 7.224 -1.066 12.401 124 HD3 ARG 14 HD3 ARG 14 7.660 -1.001 10.691 125 HE ARG 14 HE ARG 14 9.817 -0.061 12.251 126 HH11 ARG 14 HH11 ARG 14 8.177 -3.064 11.447 127 HH12 ARG 14 HH12 ARG 14 9.558 -4.049 11.782 128 HH21 ARG 14 HH21 ARG 14 11.622 -1.369 12.674 129 HH22 ARG 14 HH22 ARG 14 11.522 -3.087 12.481 130 H ARG 15 H ARG 15 2.816 0.047 11.396 131 HA ARG 15 HA ARG 15 1.468 2.563 11.528 132 HB2 ARG 15 HB2 ARG 15 0.228 -0.194 11.133 133 HB3 ARG 15 HB3 ARG 15 -0.559 1.350 10.815 134 HG2 ARG 15 HG2 ARG 15 1.185 1.769 9.039 135 HG3 ARG 15 HG3 ARG 15 1.756 0.120 9.302 136 HD2 ARG 15 HD2 ARG 15 0.271 0.064 7.409 137 HD3 ARG 15 HD3 ARG 15 -0.591 -0.698 8.752 138 HE ARG 15 HE ARG 15 -1.555 1.715 9.017 139 HH11 ARG 15 HH11 ARG 15 -0.976 0.059 5.971 140 HH12 ARG 15 HH12 ARG 15 -2.211 0.933 5.124 141 HH21 ARG 15 HH21 ARG 15 -3.184 2.837 7.900 142 HH22 ARG 15 HH22 ARG 15 -3.468 2.508 6.223 143 H VAL 16 H VAL 16 1.335 -0.405 13.522 144 HA VAL 16 HA VAL 16 -0.880 0.488 15.120 145 HB VAL 16 HB VAL 16 -0.640 -1.472 16.473 146 HG11 VAL 16 HG11 VAL 16 -0.622 -3.296 14.830 147 HG12 VAL 16 HG12 VAL 16 0.131 -2.233 13.636 148 HG13 VAL 16 HG13 VAL 16 -1.494 -1.892 14.218 149 HG21 VAL 16 HG21 VAL 16 1.278 -2.964 16.469 150 HG22 VAL 16 HG22 VAL 16 1.799 -1.338 16.903 151 HG23 VAL 16 HG23 VAL 16 2.107 -1.957 15.279 152 H PHE 17 H PHE 17 2.646 0.526 15.531 153 HA PHE 17 HA PHE 17 2.668 1.582 18.180 154 HB2 PHE 17 HB2 PHE 17 4.768 1.324 16.008 155 HB3 PHE 17 HB3 PHE 17 5.116 2.261 17.457 156 HD1 PHE 17 HD2 PHE 17 4.788 1.069 19.741 157 HD2 PHE 17 HD1 PHE 17 5.131 -1.042 16.048 158 HE1 PHE 17 HE2 PHE 17 5.409 -0.975 20.955 159 HE2 PHE 17 HE1 PHE 17 5.739 -3.088 17.275 160 HZ PHE 17 HZ PHE 17 5.881 -3.055 19.726 161 H ALA 18 H ALA 18 2.451 3.026 14.978 162 HA ALA 18 HA ALA 18 2.697 5.766 15.752 163 HB1 ALA 18 HB1 ALA 18 1.663 6.283 13.576 164 HB2 ALA 18 HB2 ALA 18 1.201 4.588 13.383 165 HB3 ALA 18 HB3 ALA 18 2.905 5.041 13.405 166 H ALA 19 H ALA 19 0.083 3.443 15.949 167 HA ALA 19 HA ALA 19 -1.904 5.444 16.808 168 HB1 ALA 19 HB1 ALA 19 -2.630 3.626 15.292 169 HB2 ALA 19 HB2 ALA 19 -3.487 3.560 16.833 170 HB3 ALA 19 HB3 ALA 19 -2.171 2.428 16.504 171 H GLY 20 H GLY 20 0.613 3.845 18.265 172 HA2 GLY 20 HA2 GLY 20 1.206 4.084 20.526 173 HA3 GLY 20 HA3 GLY 20 -0.485 4.275 20.958 174 H GLY 21 H GLY 21 -0.715 1.718 19.051 175 HA2 GLY 21 HA2 GLY 21 -0.828 -0.220 21.173 176 HA3 GLY 21 HA3 GLY 21 -1.197 -0.488 19.478 177 H PHE 22 H PHE 22 -0.102 -2.552 19.876 178 HA PHE 22 HA PHE 22 2.868 -2.465 19.785 179 HB2 PHE 22 HB2 PHE 22 2.246 -3.092 22.070 180 HB3 PHE 22 HB3 PHE 22 1.086 -4.278 21.485 181 HD1 PHE 22 HD1 PHE 22 4.746 -3.508 21.605 182 HD2 PHE 22 HD2 PHE 22 1.769 -6.541 21.124 183 HE1 PHE 22 HE1 PHE 22 6.490 -5.238 21.681 184 HE2 PHE 22 HE2 PHE 22 3.522 -8.270 21.205 185 HZ PHE 22 HZ PHE 22 5.883 -7.613 21.484 186 H ALA 23 H ALA 23 3.829 -4.310 18.648 187 HA ALA 23 HA ALA 23 2.177 -6.379 17.526 188 HB1 ALA 23 HB1 ALA 23 3.439 -4.409 15.601 189 HB2 ALA 23 HB2 ALA 23 1.714 -4.681 15.848 190 HB3 ALA 23 HB3 ALA 23 2.708 -5.955 15.149 191 H ALA 24 H ALA 24 3.379 -7.979 16.301 192 HA ALA 24 HA ALA 24 6.242 -8.069 16.265 193 HB1 ALA 24 HB1 ALA 24 4.818 -9.690 18.417 194 HB2 ALA 24 HB2 ALA 24 5.903 -8.324 18.697 195 HB3 ALA 24 HB3 ALA 24 6.531 -9.816 17.992 196 H VAL 25 H VAL 25 6.849 -9.592 14.760 197 HA VAL 25 HA VAL 25 4.842 -11.191 13.423 198 HB VAL 25 HB VAL 25 7.861 -11.141 12.926 199 HG11 VAL 25 HG11 VAL 25 5.628 -12.252 11.166 200 HG12 VAL 25 HG12 VAL 25 6.825 -13.208 12.043 201 HG13 VAL 25 HG13 VAL 25 7.335 -12.156 10.722 202 HG21 VAL 25 HG21 VAL 25 7.356 -9.647 11.020 203 HG22 VAL 25 HG22 VAL 25 6.856 -8.921 12.549 204 HG23 VAL 25 HG23 VAL 25 5.650 -9.633 11.474 205 H GLU 26 H GLU 26 4.165 -12.974 14.403 206 HA GLU 26 HA GLU 26 5.792 -14.652 16.092 207 HB2 GLU 26 HB2 GLU 26 2.933 -15.021 15.101 208 HB3 GLU 26 HB3 GLU 26 3.710 -15.946 16.390 209 HG2 GLU 26 HG2 GLU 26 3.084 -12.972 16.420 210 HG3 GLU 26 HG3 GLU 26 2.236 -14.231 17.319 211 H LYS 27 H LYS 27 3.826 -15.423 13.170 212 HA LYS 27 HA LYS 27 5.677 -17.632 12.540 213 HB2 LYS 27 HB2 LYS 27 3.307 -18.253 12.740 214 HB3 LYS 27 HB3 LYS 27 2.865 -17.050 11.534 215 HG2 LYS 27 HG2 LYS 27 4.086 -18.297 9.806 216 HG3 LYS 27 HG3 LYS 27 4.598 -19.483 11.009 217 HD2 LYS 27 HD2 LYS 27 2.280 -20.187 11.352 218 HD3 LYS 27 HD3 LYS 27 1.703 -18.932 10.250 219 HE2 LYS 27 HE2 LYS 27 1.738 -21.153 9.180 220 HE3 LYS 27 HE3 LYS 27 2.832 -20.035 8.374 221 HZ1 LYS 27 HZ1 LYS 27 4.676 -21.072 9.520 222 HZ2 LYS 27 HZ2 LYS 27 3.800 -22.226 8.652 223 HZ3 LYS 27 HZ3 LYS 27 3.625 -22.115 10.330 224 H LYS 28 H LYS 28 6.622 -17.823 10.538 225 HA LYS 28 HA LYS 28 6.478 -15.540 8.664 226 HB2 LYS 28 HB2 LYS 28 8.594 -15.508 9.960 227 HB3 LYS 28 HB3 LYS 28 8.938 -17.164 9.475 228 HG2 LYS 28 HG2 LYS 28 9.219 -16.490 7.161 229 HG3 LYS 28 HG3 LYS 28 8.685 -14.851 7.532 230 HD2 LYS 28 HD2 LYS 28 10.696 -14.560 8.995 231 HD3 LYS 28 HD3 LYS 28 11.241 -16.177 8.531 232 HE2 LYS 28 HE2 LYS 28 11.409 -15.446 6.178 233 HE3 LYS 28 HE3 LYS 28 10.824 -13.841 6.622 234 HZ1 LYS 28 HZ1 LYS 28 13.364 -15.100 7.499 235 HZ2 LYS 28 HZ2 LYS 28 12.795 -13.606 8.041 236 HZ3 LYS 28 HZ3 LYS 28 13.193 -13.815 6.410 237 H GLY 29 H GLY 29 6.124 -16.092 6.571 238 HA2 GLY 29 HA2 GLY 29 6.383 -18.925 5.682 239 HA3 GLY 29 HA3 GLY 29 5.012 -17.913 5.249 240 H ALA 30 H ALA 30 5.176 -17.379 3.112 241 HA ALA 30 HA ALA 30 7.769 -17.134 1.803 242 HB1 ALA 30 HB1 ALA 30 6.454 -16.937 -0.279 243 HB2 ALA 30 HB2 ALA 30 4.958 -16.869 0.656 244 HB3 ALA 30 HB3 ALA 30 5.939 -18.333 0.666 245 H GLU 31 H GLU 31 8.738 -15.254 1.180 246 HA GLU 31 HA GLU 31 8.051 -12.862 2.557 247 HB2 GLU 31 HB2 GLU 31 10.124 -13.316 0.382 248 HB3 GLU 31 HB3 GLU 31 10.017 -11.875 1.389 249 HG2 GLU 31 HG2 GLU 31 10.539 -13.147 3.378 250 HG3 GLU 31 HG3 GLU 31 10.484 -14.660 2.475 251 H ALA 32 H ALA 32 7.920 -13.700 -0.904 252 HA ALA 32 HA ALA 32 7.032 -11.036 -1.653 253 HB1 ALA 32 HB1 ALA 32 8.705 -12.171 -3.042 254 HB2 ALA 32 HB2 ALA 32 7.242 -11.816 -3.970 255 HB3 ALA 32 HB3 ALA 32 7.546 -13.456 -3.393 256 H ALA 33 H ALA 33 5.752 -14.348 -2.031 257 HA ALA 33 HA ALA 33 3.181 -13.262 -2.999 258 HB1 ALA 33 HB1 ALA 33 4.389 -16.033 -3.324 259 HB2 ALA 33 HB2 ALA 33 4.426 -14.741 -4.526 260 HB3 ALA 33 HB3 ALA 33 2.885 -15.464 -4.064 261 H GLY 34 H GLY 34 4.261 -14.071 -0.067 262 HA2 GLY 34 HA2 GLY 34 2.717 -16.318 0.757 263 HA3 GLY 34 HA3 GLY 34 3.556 -15.187 1.803 264 H ALA 35 H ALA 35 1.030 -16.415 2.300 265 HA ALA 35 HA ALA 35 -0.964 -14.292 2.235 266 HB1 ALA 35 HB1 ALA 35 -2.305 -15.868 3.612 267 HB2 ALA 35 HB2 ALA 35 -0.923 -16.964 3.699 268 HB3 ALA 35 HB3 ALA 35 -1.695 -16.640 2.148 269 H ILE 36 H ILE 36 -1.806 -13.420 4.347 270 HA ILE 36 HA ILE 36 0.171 -13.245 6.528 271 HB ILE 36 HB ILE 36 -1.161 -10.765 5.349 272 HG12 ILE 36 HG12 ILE 36 0.618 -11.523 3.799 273 HG13 ILE 36 HG13 ILE 36 1.040 -9.993 4.562 274 HG21 ILE 36 HG21 ILE 36 -0.806 -10.594 7.759 275 HG22 ILE 36 HG22 ILE 36 0.296 -9.500 6.923 276 HG23 ILE 36 HG23 ILE 36 0.895 -11.030 7.572 277 HD11 ILE 36 HD11 ILE 36 2.987 -11.271 4.534 278 HD12 ILE 36 HD12 ILE 36 2.168 -12.720 5.095 279 HD13 ILE 36 HD13 ILE 36 2.420 -11.366 6.192 280 H PHE 37 H PHE 37 -0.940 -13.780 8.304 281 HA PHE 37 HA PHE 37 -3.777 -13.019 8.598 282 HB2 PHE 37 HB2 PHE 37 -2.366 -15.589 9.397 283 HB3 PHE 37 HB3 PHE 37 -3.893 -15.109 10.126 284 HD1 PHE 37 HD1 PHE 37 -2.348 -15.730 6.760 285 HD2 PHE 37 HD2 PHE 37 -5.924 -15.714 9.100 286 HE1 PHE 37 HE1 PHE 37 -3.590 -16.703 4.876 287 HE2 PHE 37 HE2 PHE 37 -7.150 -16.685 7.210 288 HZ PHE 37 HZ PHE 37 -5.993 -17.182 5.100 289 H VAL 38 H VAL 38 -3.946 -11.498 10.055 290 HA VAL 38 HA VAL 38 -1.927 -11.209 12.206 291 HB VAL 38 HB VAL 38 -3.687 -9.095 10.858 292 HG11 VAL 38 HG11 VAL 38 -3.268 -8.511 13.219 293 HG12 VAL 38 HG12 VAL 38 -2.400 -7.420 12.137 294 HG13 VAL 38 HG13 VAL 38 -1.531 -8.714 12.967 295 HG21 VAL 38 HG21 VAL 38 -0.681 -9.525 10.666 296 HG22 VAL 38 HG22 VAL 38 -1.601 -8.244 9.877 297 HG23 VAL 38 HG23 VAL 38 -1.852 -9.923 9.404 298 H ARG 39 H ARG 39 -2.647 -11.256 14.299 299 HA ARG 39 HA ARG 39 -5.561 -11.403 14.792 300 HB2 ARG 39 HB2 ARG 39 -5.012 -12.504 16.949 301 HB3 ARG 39 HB3 ARG 39 -4.372 -13.411 15.592 302 HG2 ARG 39 HG2 ARG 39 -2.153 -12.961 16.144 303 HG3 ARG 39 HG3 ARG 39 -2.551 -11.483 17.008 304 HD2 ARG 39 HD2 ARG 39 -1.859 -13.066 18.649 305 HD3 ARG 39 HD3 ARG 39 -3.608 -12.904 18.812 306 HE ARG 39 HE ARG 39 -2.645 -15.129 17.181 307 HH11 ARG 39 HH11 ARG 39 -3.999 -14.106 20.263 308 HH12 ARG 39 HH12 ARG 39 -4.218 -15.730 20.827 309 HH21 ARG 39 HH21 ARG 39 -2.950 -17.254 17.952 310 HH22 ARG 39 HH22 ARG 39 -3.625 -17.501 19.532 311 H GLN 40 H GLN 40 -6.443 -9.564 15.561 312 HA GLN 40 HA GLN 40 -4.817 -7.582 16.966 313 HB2 GLN 40 HB2 GLN 40 -6.400 -6.618 15.420 314 HB3 GLN 40 HB3 GLN 40 -7.740 -7.520 16.122 315 HG2 GLN 40 HG2 GLN 40 -7.618 -6.232 18.167 316 HG3 GLN 40 HG3 GLN 40 -6.137 -5.443 17.635 317 HE21 GLN 40 HE21 GLN 40 -7.164 -3.502 18.072 318 HE22 GLN 40 HE22 GLN 40 -8.299 -2.800 16.978 319 H ARG 41 H ARG 41 -4.747 -7.405 19.080 320 HA ARG 41 HA ARG 41 -6.375 -9.182 20.752 321 HB2 ARG 41 HB2 ARG 41 -3.847 -9.459 20.677 322 HB3 ARG 41 HB3 ARG 41 -3.724 -7.866 21.422 323 HG2 ARG 41 HG2 ARG 41 -4.815 -8.645 23.442 324 HG3 ARG 41 HG3 ARG 41 -5.241 -10.181 22.678 325 HD2 ARG 41 HD2 ARG 41 -2.750 -10.645 22.438 326 HD3 ARG 41 HD3 ARG 41 -2.463 -9.221 23.442 327 HE ARG 41 HE ARG 41 -3.353 -10.335 25.294 328 HH11 ARG 41 HH11 ARG 41 -3.481 -12.436 22.458 329 HH12 ARG 41 HH12 ARG 41 -3.750 -13.861 23.404 330 HH21 ARG 41 HH21 ARG 41 -3.681 -12.215 26.493 331 HH22 ARG 41 HH22 ARG 41 -3.876 -13.736 25.686 332 H LEU 42 H LEU 42 -8.061 -8.039 21.413 333 HA LEU 42 HA LEU 42 -7.940 -5.230 22.142 334 HB2 LEU 42 HB2 LEU 42 -10.193 -7.280 22.396 335 HB3 LEU 42 HB3 LEU 42 -10.352 -5.591 22.824 336 HG LEU 42 HG LEU 42 -11.423 -5.870 20.717 337 HD11 LEU 42 HD11 LEU 42 -10.140 -3.823 20.904 338 HD12 LEU 42 HD12 LEU 42 -10.204 -4.375 19.233 339 HD13 LEU 42 HD13 LEU 42 -8.732 -4.606 20.181 340 HD21 LEU 42 HD21 LEU 42 -10.382 -6.845 18.722 341 HD22 LEU 42 HD22 LEU 42 -10.482 -8.010 20.044 342 HD23 LEU 42 HD23 LEU 42 -8.938 -7.242 19.662 343 H ARG 43 H ARG 43 -7.339 -4.583 24.117 344 HA ARG 43 HA ARG 43 -6.723 -6.272 26.286 345 HB2 ARG 43 HB2 ARG 43 -6.603 -4.066 27.605 346 HB3 ARG 43 HB3 ARG 43 -5.533 -4.264 26.232 347 HG2 ARG 43 HG2 ARG 43 -6.313 -2.027 26.169 348 HG3 ARG 43 HG3 ARG 43 -7.122 -2.876 24.859 349 HD2 ARG 43 HD2 ARG 43 -9.198 -2.954 26.129 350 HD3 ARG 43 HD3 ARG 43 -8.390 -2.286 27.550 351 HE ARG 43 HE ARG 43 -8.352 -0.182 26.571 352 HH11 ARG 43 HH11 ARG 43 -9.869 -2.473 24.353 353 HH12 ARG 43 HH12 ARG 43 -10.396 -1.219 23.279 354 HH21 ARG 43 HH21 ARG 43 -9.063 1.407 25.138 355 HH22 ARG 43 HH22 ARG 43 -9.948 0.942 23.715 356 H ASP 44 H ASP 44 -9.740 -5.299 25.227 357 HA ASP 44 HA ASP 44 -11.271 -5.215 27.606 358 HB2 ASP 44 HB2 ASP 44 -12.143 -6.233 24.859 359 HB3 ASP 44 HB3 ASP 44 -13.192 -5.605 26.133 360 H GLY 45 H GLY 45 -9.796 -7.776 25.809 361 HA2 GLY 45 HA2 GLY 45 -9.293 -9.844 27.029 362 HA3 GLY 45 HA3 GLY 45 -10.977 -9.884 27.536 363 H ARG 46 H ARG 46 -10.591 -8.797 24.331 364 HA ARG 46 HA ARG 46 -11.465 -11.431 23.272 365 HB2 ARG 46 HB2 ARG 46 -12.316 -8.712 22.165 366 HB3 ARG 46 HB3 ARG 46 -12.914 -10.295 21.681 367 HG2 ARG 46 HG2 ARG 46 -13.432 -8.862 24.311 368 HG3 ARG 46 HG3 ARG 46 -14.595 -9.171 23.017 369 HD2 ARG 46 HD2 ARG 46 -13.230 -11.317 24.688 370 HD3 ARG 46 HD3 ARG 46 -14.858 -10.704 24.977 371 HE ARG 46 HE ARG 46 -15.169 -11.554 22.498 372 HH11 ARG 46 HH11 ARG 46 -13.307 -13.196 25.012 373 HH12 ARG 46 HH12 ARG 46 -13.796 -14.775 24.491 374 HH21 ARG 46 HH21 ARG 46 -15.791 -13.646 21.859 375 HH22 ARG 46 HH22 ARG 46 -15.183 -15.028 22.709 376 H GLU 47 H GLU 47 -11.090 -11.543 20.849 377 HA GLU 47 HA GLU 47 -8.791 -10.074 19.857 378 HB2 GLU 47 HB2 GLU 47 -8.711 -13.110 20.177 379 HB3 GLU 47 HB3 GLU 47 -7.614 -12.205 19.135 380 HG2 GLU 47 HG2 GLU 47 -6.956 -10.883 21.232 381 HG3 GLU 47 HG3 GLU 47 -7.810 -12.117 22.154 382 H ASN 48 H ASN 48 -8.439 -10.355 17.632 383 HA ASN 48 HA ASN 48 -10.728 -11.286 16.015 384 HB2 ASN 48 HB2 ASN 48 -9.121 -8.700 15.774 385 HB3 ASN 48 HB3 ASN 48 -10.050 -9.334 14.429 386 HD21 ASN 48 HD21 ASN 48 -11.048 -9.220 17.853 387 HD22 ASN 48 HD22 ASN 48 -12.360 -8.144 17.596 388 H LEU 49 H LEU 49 -10.028 -11.711 13.735 389 HA LEU 49 HA LEU 49 -7.172 -12.259 13.338 390 HB2 LEU 49 HB2 LEU 49 -8.940 -14.331 13.851 391 HB3 LEU 49 HB3 LEU 49 -9.026 -14.261 12.111 392 HG LEU 49 HG LEU 49 -6.523 -14.723 13.762 393 HD11 LEU 49 HD11 LEU 49 -7.977 -16.655 13.770 394 HD12 LEU 49 HD12 LEU 49 -6.537 -16.991 12.813 395 HD13 LEU 49 HD13 LEU 49 -8.070 -16.635 12.009 396 HD21 LEU 49 HD21 LEU 49 -5.358 -15.179 11.621 397 HD22 LEU 49 HD22 LEU 49 -5.893 -13.507 11.759 398 HD23 LEU 49 HD23 LEU 49 -6.793 -14.635 10.742 399 H TYR 50 H TYR 50 -6.528 -11.875 11.264 400 HA TYR 50 HA TYR 50 -8.485 -10.907 9.286 401 HB2 TYR 50 HB2 TYR 50 -5.787 -9.594 9.918 402 HB3 TYR 50 HB3 TYR 50 -6.978 -9.033 8.740 403 HD1 TYR 50 HD1 TYR 50 -9.362 -8.495 9.670 404 HD2 TYR 50 HD2 TYR 50 -5.882 -8.698 12.128 405 HE1 TYR 50 HE1 TYR 50 -10.531 -7.247 11.417 406 HE2 TYR 50 HE2 TYR 50 -7.053 -7.431 13.871 407 HH TYR 50 HH TYR 50 -10.435 -6.861 13.785 408 H GLY 51 H GLY 51 -7.728 -11.109 7.086 409 HA2 GLY 51 HA2 GLY 51 -5.314 -12.704 6.567 410 HA3 GLY 51 HA3 GLY 51 -6.864 -13.426 6.135 411 HA PRO 52 HA PRO 52 -5.401 -10.522 2.653 412 HB2 PRO 52 HB2 PRO 52 -4.778 -12.409 0.751 413 HB3 PRO 52 HB3 PRO 52 -3.594 -11.774 1.901 414 HG2 PRO 52 HG2 PRO 52 -5.152 -14.352 2.013 415 HG3 PRO 52 HG3 PRO 52 -3.430 -14.073 2.354 416 HD2 PRO 52 HD2 PRO 52 -5.292 -14.291 4.335 417 HD3 PRO 52 HD3 PRO 52 -3.856 -13.255 4.496 418 H ALA 53 H ALA 53 -7.150 -9.750 1.647 419 HA ALA 53 HA ALA 53 -9.653 -11.115 1.506 420 HB1 ALA 53 HB1 ALA 53 -9.496 -8.680 1.844 421 HB2 ALA 53 HB2 ALA 53 -10.460 -9.044 0.413 422 HB3 ALA 53 HB3 ALA 53 -8.793 -8.481 0.239 423 HA PRO 54 HA PRO 54 -9.550 -12.800 -2.730 424 HB2 PRO 54 HB2 PRO 54 -12.326 -11.760 -3.172 425 HB3 PRO 54 HB3 PRO 54 -11.728 -13.425 -3.224 426 HG2 PRO 54 HG2 PRO 54 -13.257 -12.556 -1.187 427 HG3 PRO 54 HG3 PRO 54 -11.936 -13.716 -0.921 428 HD2 PRO 54 HD2 PRO 54 -11.974 -10.736 -0.420 429 HD3 PRO 54 HD3 PRO 54 -11.328 -12.041 0.599 430 H GLN 55 H GLN 55 -8.002 -11.278 -3.377 431 HA GLN 55 HA GLN 55 -8.590 -8.673 -4.399 432 HB2 GLN 55 HB2 GLN 55 -6.363 -9.215 -3.510 433 HB3 GLN 55 HB3 GLN 55 -6.161 -10.497 -4.695 434 HG2 GLN 55 HG2 GLN 55 -4.824 -8.549 -5.282 435 HG3 GLN 55 HG3 GLN 55 -6.065 -8.843 -6.500 436 HE21 GLN 55 HE21 GLN 55 -6.062 -6.739 -7.273 437 HE22 GLN 55 HE22 GLN 55 -6.652 -5.397 -6.369 438 H SER 56 H SER 56 -8.856 -8.021 -6.554 439 HA SER 56 HA SER 56 -9.735 -9.974 -8.498 440 HB2 SER 56 HB2 SER 56 -10.088 -7.895 -9.928 441 HB3 SER 56 HB3 SER 56 -10.917 -7.851 -8.374 442 HG SER 56 HG SER 56 -8.468 -6.569 -9.028 443 H PHE 57 H PHE 57 -7.430 -10.983 -8.218 444 HA PHE 57 HA PHE 57 -5.280 -9.617 -9.578 445 HB2 PHE 57 HB2 PHE 57 -3.956 -11.734 -9.066 446 HB3 PHE 57 HB3 PHE 57 -4.520 -10.797 -7.699 447 HD1 PHE 57 HD1 PHE 57 -5.139 -13.950 -9.620 448 HD2 PHE 57 HD2 PHE 57 -5.872 -11.785 -6.006 449 HE1 PHE 57 HE1 PHE 57 -6.016 -15.991 -8.564 450 HE2 PHE 57 HE2 PHE 57 -6.741 -13.830 -4.961 451 HZ PHE 57 HZ PHE 57 -6.819 -15.936 -6.236 452 H ALA 58 H ALA 58 -5.290 -9.459 -11.665 453 HA ALA 58 HA ALA 58 -6.635 -11.239 -13.461 454 HB1 ALA 58 HB1 ALA 58 -5.703 -9.797 -15.236 455 HB2 ALA 58 HB2 ALA 58 -4.655 -9.007 -14.050 456 HB3 ALA 58 HB3 ALA 58 -6.407 -8.833 -13.938 457 H ASP 59 H ASP 59 -5.752 -13.297 -13.138 458 HA ASP 59 HA ASP 59 -4.364 -15.076 -13.260 459 HB2 ASP 59 HB2 ASP 59 -4.235 -14.277 -15.683 460 HB3 ASP 59 HB3 ASP 59 -2.739 -13.447 -15.265 461 H ASP 60 H ASP 60 -3.993 -13.391 -11.154 462 HA ASP 60 HA ASP 60 -2.748 -13.110 -9.311 463 HB2 ASP 60 HB2 ASP 60 -0.981 -15.130 -10.707 464 HB3 ASP 60 HB3 ASP 60 -0.549 -14.483 -9.130 465 H GLU 61 H GLU 61 -2.287 -11.332 -11.712 466 HA GLU 61 HA GLU 61 0.312 -10.200 -11.491 467 HB2 GLU 61 HB2 GLU 61 -2.358 -9.017 -12.353 468 HB3 GLU 61 HB3 GLU 61 -0.860 -8.087 -12.391 469 HG2 GLU 61 HG2 GLU 61 -1.345 -10.666 -13.908 470 HG3 GLU 61 HG3 GLU 61 -1.492 -9.046 -14.586 471 H ASP 62 H ASP 62 -2.773 -9.306 -9.963 472 HA ASP 62 HA ASP 62 -1.876 -6.966 -8.675 473 HB2 ASP 62 HB2 ASP 62 -4.312 -8.692 -8.127 474 HB3 ASP 62 HB3 ASP 62 -4.053 -7.090 -7.441 475 H ILE 63 H ILE 63 -1.237 -10.156 -7.751 476 HA ILE 63 HA ILE 63 -1.311 -10.061 -4.924 477 HB ILE 63 HB ILE 63 0.593 -11.682 -6.696 478 HG12 ILE 63 HG12 ILE 63 -1.750 -12.108 -7.345 479 HG13 ILE 63 HG13 ILE 63 -1.092 -13.525 -6.536 480 HG21 ILE 63 HG21 ILE 63 0.730 -13.282 -4.808 481 HG22 ILE 63 HG22 ILE 63 -0.274 -12.212 -3.824 482 HG23 ILE 63 HG23 ILE 63 1.328 -11.685 -4.347 483 HD11 ILE 63 HD11 ILE 63 -3.349 -13.118 -5.836 484 HD12 ILE 63 HD12 ILE 63 -2.946 -11.476 -5.339 485 HD13 ILE 63 HD13 ILE 63 -2.255 -12.857 -4.480 486 H MET 64 H MET 64 1.121 -9.051 -7.276 487 HA MET 64 HA MET 64 2.690 -7.684 -5.190 488 HB2 MET 64 HB2 MET 64 4.794 -8.516 -6.563 489 HB3 MET 64 HB3 MET 64 4.049 -9.574 -5.374 490 HG2 MET 64 HG2 MET 64 4.627 -10.793 -7.413 491 HG3 MET 64 HG3 MET 64 2.883 -10.796 -7.143 492 HE1 MET 64 HE1 MET 64 2.055 -11.383 -9.491 493 HE2 MET 64 HE2 MET 64 3.730 -11.729 -9.938 494 HE3 MET 64 HE3 MET 64 2.730 -10.720 -10.983 495 H ARG 65 H ARG 65 0.892 -7.196 -7.820 496 HA ARG 65 HA ARG 65 2.527 -4.926 -8.812 497 HB2 ARG 65 HB2 ARG 65 0.302 -6.401 -10.294 498 HB3 ARG 65 HB3 ARG 65 1.205 -5.017 -10.911 499 HG2 ARG 65 HG2 ARG 65 2.301 -7.786 -10.331 500 HG3 ARG 65 HG3 ARG 65 2.009 -7.076 -11.920 501 HD2 ARG 65 HD2 ARG 65 4.076 -6.151 -9.883 502 HD3 ARG 65 HD3 ARG 65 4.401 -7.029 -11.379 503 HE ARG 65 HE ARG 65 3.887 -4.212 -11.073 504 HH11 ARG 65 HH11 ARG 65 3.701 -6.839 -13.412 505 HH12 ARG 65 HH12 ARG 65 3.893 -5.789 -14.779 506 HH21 ARG 65 HH21 ARG 65 4.149 -2.863 -12.867 507 HH22 ARG 65 HH22 ARG 65 4.150 -3.531 -14.466 508 H ALA 66 H ALA 66 -0.156 -5.783 -6.960 509 HA ALA 66 HA ALA 66 -1.135 -3.006 -6.924 510 HB1 ALA 66 HB1 ALA 66 -2.685 -4.244 -8.425 511 HB2 ALA 66 HB2 ALA 66 -3.487 -3.707 -6.950 512 HB3 ALA 66 HB3 ALA 66 -3.015 -5.398 -7.131 513 H GLU 67 H GLU 67 -2.087 -2.404 -4.916 514 HA GLU 67 HA GLU 67 -1.192 -3.794 -2.586 515 HB2 GLU 67 HB2 GLU 67 -1.459 -1.310 -2.647 516 HB3 GLU 67 HB3 GLU 67 -3.202 -1.511 -2.820 517 HG2 GLU 67 HG2 GLU 67 -3.157 -2.748 -0.587 518 HG3 GLU 67 HG3 GLU 67 -1.484 -2.223 -0.424 519 H ARG 68 H ARG 68 -2.080 -5.827 -2.640 520 HA ARG 68 HA ARG 68 -4.843 -6.477 -2.686 521 HB2 ARG 68 HB2 ARG 68 -4.018 -8.650 -1.568 522 HB3 ARG 68 HB3 ARG 68 -3.313 -8.260 -3.132 523 HG2 ARG 68 HG2 ARG 68 -1.306 -7.338 -1.940 524 HG3 ARG 68 HG3 ARG 68 -2.007 -7.882 -0.416 525 HD2 ARG 68 HD2 ARG 68 -1.830 -10.189 -1.057 526 HD3 ARG 68 HD3 ARG 68 -1.438 -9.765 -2.730 527 HE ARG 68 HE ARG 68 0.569 -8.595 -1.400 528 HH11 ARG 68 HH11 ARG 68 -0.687 -11.869 -1.120 529 HH12 ARG 68 HH12 ARG 68 0.866 -12.551 -0.758 530 HH21 ARG 68 HH21 ARG 68 2.577 -9.493 -0.979 531 HH22 ARG 68 HH22 ARG 68 2.732 -11.198 -0.716 532 H ARG 69 H ARG 69 -6.280 -5.710 -1.254 533 HA ARG 69 HA ARG 69 -5.620 -4.752 1.363 534 HB2 ARG 69 HB2 ARG 69 -7.354 -3.747 -0.159 535 HB3 ARG 69 HB3 ARG 69 -8.336 -5.192 0.040 536 HG2 ARG 69 HG2 ARG 69 -8.715 -4.691 2.378 537 HG3 ARG 69 HG3 ARG 69 -7.542 -3.370 2.335 538 HD2 ARG 69 HD2 ARG 69 -10.182 -3.450 0.818 539 HD3 ARG 69 HD3 ARG 69 -9.848 -2.516 2.280 540 HE ARG 69 HE ARG 69 -8.021 -1.433 0.854 541 HH11 ARG 69 HH11 ARG 69 -11.122 -2.446 -0.438 542 HH12 ARG 69 HH12 ARG 69 -11.081 -1.299 -1.733 543 HH21 ARG 69 HH21 ARG 69 -7.985 0.052 -0.850 544 HH22 ARG 69 HH22 ARG 69 -9.300 0.111 -1.972 545 H PHE 70 H PHE 70 -6.869 -5.531 3.285 546 HA PHE 70 HA PHE 70 -6.819 -8.475 3.427 547 HB2 PHE 70 HB2 PHE 70 -6.334 -6.266 5.453 548 HB3 PHE 70 HB3 PHE 70 -6.751 -7.892 5.991 549 HD1 PHE 70 HD1 PHE 70 -4.501 -6.584 3.271 550 HD2 PHE 70 HD2 PHE 70 -4.855 -8.957 6.807 551 HE1 PHE 70 HE1 PHE 70 -2.162 -7.297 3.026 552 HE2 PHE 70 HE2 PHE 70 -2.519 -9.654 6.561 553 HZ PHE 70 HZ PHE 70 -1.174 -8.831 4.671 554 H GLU 71 H GLU 71 -8.283 -9.227 5.305 555 HA GLU 71 HA GLU 71 -10.932 -7.979 5.354 556 HB2 GLU 71 HB2 GLU 71 -12.052 -10.082 4.826 557 HB3 GLU 71 HB3 GLU 71 -10.981 -9.652 3.500 558 HG2 GLU 71 HG2 GLU 71 -9.403 -11.347 4.062 559 HG3 GLU 71 HG3 GLU 71 -10.121 -11.605 5.652 560 H THR 72 H THR 72 -12.312 -9.203 7.013 561 HA THR 72 HA THR 72 -10.677 -9.793 9.384 562 HB THR 72 HB THR 72 -13.689 -9.298 9.252 563 HG1 THR 72 HG1 THR 72 -13.305 -7.190 9.378 564 HG21 THR 72 HG21 THR 72 -13.460 -8.714 11.628 565 HG22 THR 72 HG22 THR 72 -11.729 -9.048 11.562 566 HG23 THR 72 HG23 THR 72 -12.890 -10.361 11.347 567 H ARG 73 H ARG 73 -10.198 -11.993 9.453 568 HA ARG 73 HA ARG 73 -11.910 -14.083 8.516 569 HB2 ARG 73 HB2 ARG 73 -9.429 -14.035 10.265 570 HB3 ARG 73 HB3 ARG 73 -10.321 -15.531 10.032 571 HG2 ARG 73 HG2 ARG 73 -9.005 -13.887 7.840 572 HG3 ARG 73 HG3 ARG 73 -8.386 -15.389 8.534 573 HD2 ARG 73 HD2 ARG 73 -10.702 -16.384 7.770 574 HD3 ARG 73 HD3 ARG 73 -10.757 -14.971 6.705 575 HE ARG 73 HE ARG 73 -8.559 -16.968 6.684 576 HH11 ARG 73 HH11 ARG 73 -10.809 -14.949 4.866 577 HH12 ARG 73 HH12 ARG 73 -10.245 -15.546 3.340 578 HH21 ARG 73 HH21 ARG 73 -7.889 -17.740 4.691 579 HH22 ARG 73 HH22 ARG 73 -8.612 -17.114 3.243 580 H LEU 74 H LEU 74 -10.996 -13.084 11.839 581 HA LEU 74 HA LEU 74 -13.644 -13.990 12.857 582 HB2 LEU 74 HB2 LEU 74 -10.946 -14.192 14.258 583 HB3 LEU 74 HB3 LEU 74 -12.490 -14.658 14.957 584 HG LEU 74 HG LEU 74 -11.216 -16.016 12.540 585 HD11 LEU 74 HD11 LEU 74 -10.675 -17.872 14.056 586 HD12 LEU 74 HD12 LEU 74 -11.263 -16.934 15.433 587 HD13 LEU 74 HD13 LEU 74 -9.851 -16.386 14.524 588 HD21 LEU 74 HD21 LEU 74 -13.663 -16.234 12.565 589 HD22 LEU 74 HD22 LEU 74 -13.614 -16.847 14.220 590 HD23 LEU 74 HD23 LEU 74 -12.898 -17.786 12.907 591 H ALA 75 H ALA 75 -14.393 -12.782 14.761 592 HA ALA 75 HA ALA 75 -12.971 -10.383 15.572 593 HB1 ALA 75 HB1 ALA 75 -14.804 -8.831 15.039 594 HB2 ALA 75 HB2 ALA 75 -15.703 -10.141 14.268 595 HB3 ALA 75 HB3 ALA 75 -14.178 -9.591 13.574 596 H GLY 76 H GLY 76 -13.308 -9.958 17.659 597 HA2 GLY 76 HA2 GLY 76 -14.119 -9.979 19.800 598 HA3 GLY 76 HA3 GLY 76 -15.717 -10.195 19.115 599 H VAL 77 H VAL 77 -12.981 -12.332 18.732 600 HA VAL 77 HA VAL 77 -14.387 -14.538 20.104 601 HB VAL 77 HB VAL 77 -13.092 -16.075 18.685 602 HG11 VAL 77 HG11 VAL 77 -15.253 -15.325 17.809 603 HG12 VAL 77 HG12 VAL 77 -14.120 -15.562 16.477 604 HG13 VAL 77 HG13 VAL 77 -14.491 -13.929 17.040 605 HG21 VAL 77 HG21 VAL 77 -11.864 -13.601 17.400 606 HG22 VAL 77 HG22 VAL 77 -11.653 -15.258 16.822 607 HG23 VAL 77 HG23 VAL 77 -11.020 -14.786 18.400 608 H GLU 78 H GLU 78 -12.226 -16.280 20.502 609 HA GLU 78 HA GLU 78 -10.404 -14.769 22.299 610 HB2 GLU 78 HB2 GLU 78 -10.292 -16.743 23.737 611 HB3 GLU 78 HB3 GLU 78 -11.974 -16.265 23.521 612 HG2 GLU 78 HG2 GLU 78 -12.256 -18.067 21.844 613 HG3 GLU 78 HG3 GLU 78 -10.578 -18.556 22.098 614 H GLY 79 H GLY 79 -8.358 -16.140 22.765 615 HA2 GLY 79 HA2 GLY 79 -6.779 -16.263 20.447 616 HA3 GLY 79 HA3 GLY 79 -6.313 -16.830 22.040 617 H GLU 80 H GLU 80 -8.513 -18.814 22.143 618 HA GLU 80 HA GLU 80 -7.261 -21.057 20.942 619 HB2 GLU 80 HB2 GLU 80 -8.772 -21.253 22.916 620 HB3 GLU 80 HB3 GLU 80 -10.147 -20.814 21.907 621 HG2 GLU 80 HG2 GLU 80 -9.675 -22.870 20.510 622 HG3 GLU 80 HG3 GLU 80 -8.447 -23.322 21.689 623 H GLU 81 H GLU 81 -10.137 -19.143 20.057 624 HA GLU 81 HA GLU 81 -10.886 -20.494 17.707 625 HB2 GLU 81 HB2 GLU 81 -11.237 -17.556 18.433 626 HB3 GLU 81 HB3 GLU 81 -12.050 -18.355 17.085 627 HG2 GLU 81 HG2 GLU 81 -12.384 -19.071 20.019 628 HG3 GLU 81 HG3 GLU 81 -13.492 -18.077 19.076 629 H ILE 82 H ILE 82 -8.605 -17.831 18.239 630 HA ILE 82 HA ILE 82 -8.002 -17.182 15.568 631 HB ILE 82 HB ILE 82 -6.106 -17.016 17.961 632 HG12 ILE 82 HG12 ILE 82 -8.150 -15.767 18.491 633 HG13 ILE 82 HG13 ILE 82 -6.848 -14.630 18.180 634 HG21 ILE 82 HG21 ILE 82 -6.034 -15.503 15.325 635 HG22 ILE 82 HG22 ILE 82 -4.927 -16.783 15.822 636 HG23 ILE 82 HG23 ILE 82 -4.943 -15.248 16.688 637 HD11 ILE 82 HD11 ILE 82 -9.092 -15.343 16.297 638 HD12 ILE 82 HD12 ILE 82 -7.762 -14.239 15.934 639 HD13 ILE 82 HD13 ILE 82 -8.903 -13.850 17.218 640 H ALA 83 H ALA 83 -6.253 -19.284 17.852 641 HA ALA 83 HA ALA 83 -4.284 -20.215 16.034 642 HB1 ALA 83 HB1 ALA 83 -3.705 -21.821 17.819 643 HB2 ALA 83 HB2 ALA 83 -5.205 -21.425 18.667 644 HB3 ALA 83 HB3 ALA 83 -3.950 -20.200 18.474 645 H ALA 84 H ALA 84 -7.520 -21.297 16.816 646 HA ALA 84 HA ALA 84 -7.403 -23.942 15.779 647 HB1 ALA 84 HB1 ALA 84 -9.170 -23.237 17.326 648 HB2 ALA 84 HB2 ALA 84 -9.862 -23.880 15.836 649 HB3 ALA 84 HB3 ALA 84 -9.820 -22.134 16.111 650 H LEU 85 H LEU 85 -8.173 -20.789 14.295 651 HA LEU 85 HA LEU 85 -8.796 -21.981 11.727 652 HB2 LEU 85 HB2 LEU 85 -9.852 -19.834 12.422 653 HB3 LEU 85 HB3 LEU 85 -8.284 -19.055 12.337 654 HG LEU 85 HG LEU 85 -8.723 -20.432 9.824 655 HD11 LEU 85 HD11 LEU 85 -10.681 -19.319 8.946 656 HD12 LEU 85 HD12 LEU 85 -11.055 -18.690 10.556 657 HD13 LEU 85 HD13 LEU 85 -11.047 -20.435 10.261 658 HD21 LEU 85 HD21 LEU 85 -8.478 -18.194 8.821 659 HD22 LEU 85 HD22 LEU 85 -7.218 -18.586 9.992 660 HD23 LEU 85 HD23 LEU 85 -8.529 -17.478 10.439 661 H LEU 86 H LEU 86 -6.041 -20.263 13.194 662 HA LEU 86 HA LEU 86 -4.331 -20.119 10.976 663 HB2 LEU 86 HB2 LEU 86 -3.599 -20.494 13.906 664 HB3 LEU 86 HB3 LEU 86 -2.447 -20.072 12.644 665 HG LEU 86 HG LEU 86 -4.783 -18.351 13.572 666 HD11 LEU 86 HD11 LEU 86 -3.064 -16.829 14.449 667 HD12 LEU 86 HD12 LEU 86 -1.803 -17.979 13.993 668 HD13 LEU 86 HD13 LEU 86 -2.996 -18.413 15.221 669 HD21 LEU 86 HD21 LEU 86 -2.690 -17.742 11.458 670 HD22 LEU 86 HD22 LEU 86 -3.888 -16.603 12.082 671 HD23 LEU 86 HD23 LEU 86 -4.412 -18.023 11.182 672 H GLU 87 H GLU 87 -5.184 -22.751 13.056 673 HA GLU 87 HA GLU 87 -3.311 -24.728 12.343 674 HB2 GLU 87 HB2 GLU 87 -4.626 -24.940 14.347 675 HB3 GLU 87 HB3 GLU 87 -6.131 -24.717 13.472 676 HG2 GLU 87 HG2 GLU 87 -5.960 -26.990 14.120 677 HG3 GLU 87 HG3 GLU 87 -5.808 -26.872 12.373 678 H ARG 88 H ARG 88 -6.498 -23.799 11.031 679 HA ARG 88 HA ARG 88 -6.718 -25.967 9.166 680 HB2 ARG 88 HB2 ARG 88 -8.166 -23.275 9.205 681 HB3 ARG 88 HB3 ARG 88 -8.678 -24.704 8.300 682 HG2 ARG 88 HG2 ARG 88 -9.212 -25.896 10.321 683 HG3 ARG 88 HG3 ARG 88 -8.424 -24.677 11.325 684 HD2 ARG 88 HD2 ARG 88 -10.795 -24.361 11.518 685 HD3 ARG 88 HD3 ARG 88 -10.158 -23.021 10.560 686 HE ARG 88 HE ARG 88 -11.149 -25.264 9.013 687 HH11 ARG 88 HH11 ARG 88 -11.964 -22.152 10.423 688 HH12 ARG 88 HH12 ARG 88 -13.400 -21.956 9.477 689 HH21 ARG 88 HH21 ARG 88 -13.015 -24.996 7.759 690 HH22 ARG 88 HH22 ARG 88 -13.995 -23.575 7.945 691 H GLU 89 H GLU 89 -5.817 -22.539 8.910 692 HA GLU 89 HA GLU 89 -5.477 -22.447 6.097 693 HB2 GLU 89 HB2 GLU 89 -4.477 -20.544 8.259 694 HB3 GLU 89 HB3 GLU 89 -4.446 -20.202 6.526 695 HG2 GLU 89 HG2 GLU 89 -6.923 -20.673 8.217 696 HG3 GLU 89 HG3 GLU 89 -6.340 -19.112 7.648 697 H ARG 90 H ARG 90 -3.207 -22.913 8.802 698 HA ARG 90 HA ARG 90 -0.815 -22.918 7.259 699 HB2 ARG 90 HB2 ARG 90 0.351 -23.857 9.114 700 HB3 ARG 90 HB3 ARG 90 -0.905 -22.844 9.818 701 HG2 ARG 90 HG2 ARG 90 -2.267 -24.812 10.308 702 HG3 ARG 90 HG3 ARG 90 -1.097 -25.859 9.513 703 HD2 ARG 90 HD2 ARG 90 0.589 -25.203 11.234 704 HD3 ARG 90 HD3 ARG 90 -0.668 -24.273 12.056 705 HE ARG 90 HE ARG 90 -1.887 -26.367 12.410 706 HH11 ARG 90 HH11 ARG 90 1.530 -26.701 11.626 707 HH12 ARG 90 HH12 ARG 90 1.631 -28.307 12.268 708 HH21 ARG 90 HH21 ARG 90 -1.724 -28.465 13.252 709 HH22 ARG 90 HH22 ARG 90 -0.201 -29.304 13.186 710 H ARG 91 H ARG 91 -3.192 -25.418 7.894 711 HA ARG 91 HA ARG 91 -1.703 -27.714 7.222 712 HB2 ARG 91 HB2 ARG 91 -3.868 -27.810 8.437 713 HB3 ARG 91 HB3 ARG 91 -4.702 -27.221 7.002 714 HG2 ARG 91 HG2 ARG 91 -3.901 -29.315 5.801 715 HG3 ARG 91 HG3 ARG 91 -3.340 -29.907 7.365 716 HD2 ARG 91 HD2 ARG 91 -5.593 -29.959 8.229 717 HD3 ARG 91 HD3 ARG 91 -6.215 -29.094 6.814 718 HE ARG 91 HE ARG 91 -5.030 -31.812 6.630 719 HH11 ARG 91 HH11 ARG 91 -7.679 -29.620 5.928 720 HH12 ARG 91 HH12 ARG 91 -8.439 -30.707 4.820 721 HH21 ARG 91 HH21 ARG 91 -6.058 -33.231 5.163 722 HH22 ARG 91 HH22 ARG 91 -7.531 -32.739 4.388 723 H PHE 92 H PHE 92 -3.916 -25.705 5.300 724 HA PHE 92 HA PHE 92 -3.477 -27.106 2.828 725 HB2 PHE 92 HB2 PHE 92 -4.853 -24.458 3.474 726 HB3 PHE 92 HB3 PHE 92 -4.838 -25.190 1.881 727 HD1 PHE 92 HD1 PHE 92 -5.875 -27.539 1.610 728 HD2 PHE 92 HD2 PHE 92 -6.515 -25.096 5.058 729 HE1 PHE 92 HE1 PHE 92 -7.861 -28.873 2.193 730 HE2 PHE 92 HE2 PHE 92 -8.495 -26.432 5.636 731 HZ PHE 92 HZ PHE 92 -9.171 -28.322 4.206 732 H ASP 93 H ASP 93 -2.358 -24.049 4.267 733 HA ASP 93 HA ASP 93 -0.174 -23.798 2.336 734 HB2 ASP 93 HB2 ASP 93 -2.427 -21.773 2.606 735 HB3 ASP 93 HB3 ASP 93 -0.853 -21.318 1.981 736 H SER 94 H SER 94 1.263 -24.054 4.022 737 HA SER 94 HA SER 94 1.174 -22.590 6.496 738 HB2 SER 94 HB2 SER 94 2.181 -24.873 6.274 739 HB3 SER 94 HB3 SER 94 3.484 -24.189 5.302 740 HG SER 94 HG SER 94 4.154 -24.346 7.442 741 H ASP 95 H ASP 95 1.935 -21.495 3.424 742 HA ASP 95 HA ASP 95 4.250 -19.861 3.927 743 HB2 ASP 95 HB2 ASP 95 3.845 -18.864 1.751 744 HB3 ASP 95 HB3 ASP 95 3.576 -20.596 1.623 745 H LEU 96 H LEU 96 1.132 -19.565 5.145 746 HA LEU 96 HA LEU 96 0.866 -16.734 5.106 747 HB2 LEU 96 HB2 LEU 96 -0.852 -16.882 6.715 748 HB3 LEU 96 HB3 LEU 96 -1.034 -18.306 5.711 749 HG LEU 96 HG LEU 96 0.396 -18.463 8.389 750 HD11 LEU 96 HD11 LEU 96 -1.783 -17.455 8.845 751 HD12 LEU 96 HD12 LEU 96 -1.695 -19.099 9.473 752 HD13 LEU 96 HD13 LEU 96 -2.592 -18.769 7.985 753 HD21 LEU 96 HD21 LEU 96 -0.282 -20.797 8.333 754 HD22 LEU 96 HD22 LEU 96 0.638 -20.381 6.890 755 HD23 LEU 96 HD23 LEU 96 -1.119 -20.544 6.797 756 H TRP 97 H TRP 97 1.389 -15.216 6.624 757 HA TRP 97 HA TRP 97 3.368 -15.877 8.710 758 HB2 TRP 97 HB2 TRP 97 2.501 -13.177 7.547 759 HB3 TRP 97 HB3 TRP 97 3.717 -13.393 8.803 760 HD1 TRP 97 HD1 TRP 97 3.318 -15.107 5.314 761 HE1 TRP 97 HE1 TRP 97 5.544 -14.904 4.076 762 HE3 TRP 97 HE3 TRP 97 5.915 -12.357 8.757 763 HZ2 TRP 97 HZ2 TRP 97 8.066 -13.729 4.469 764 HZ3 TRP 97 HZ3 TRP 97 8.234 -11.730 8.246 765 HH2 TRP 97 HH2 TRP 97 9.285 -12.399 6.144 766 H VAL 98 H VAL 98 2.949 -14.986 10.854 767 HA VAL 98 HA VAL 98 0.203 -14.047 11.353 768 HB VAL 98 HB VAL 98 1.691 -15.982 13.182 769 HG11 VAL 98 HG11 VAL 98 -0.347 -15.916 14.609 770 HG12 VAL 98 HG12 VAL 98 -1.038 -14.674 13.563 771 HG13 VAL 98 HG13 VAL 98 0.418 -14.327 14.499 772 HG21 VAL 98 HG21 VAL 98 0.717 -17.150 11.242 773 HG22 VAL 98 HG22 VAL 98 -0.853 -16.404 11.555 774 HG23 VAL 98 HG23 VAL 98 -0.179 -17.556 12.710 775 H VAL 99 H VAL 99 0.188 -12.140 12.256 776 HA VAL 99 HA VAL 99 2.504 -11.228 13.903 777 HB VAL 99 HB VAL 99 0.703 -9.437 12.196 778 HG11 VAL 99 HG11 VAL 99 2.276 -7.606 12.740 779 HG12 VAL 99 HG12 VAL 99 3.179 -8.699 13.795 780 HG13 VAL 99 HG13 VAL 99 1.516 -8.265 14.194 781 HG21 VAL 99 HG21 VAL 99 2.669 -9.092 10.728 782 HG22 VAL 99 HG22 VAL 99 2.174 -10.787 10.758 783 HG23 VAL 99 HG23 VAL 99 3.581 -10.265 11.686 784 H GLU 100 H GLU 100 1.915 -10.963 16.006 785 HA GLU 100 HA GLU 100 -0.896 -10.588 16.720 786 HB2 GLU 100 HB2 GLU 100 -0.129 -10.718 19.078 787 HB3 GLU 100 HB3 GLU 100 0.371 -12.126 18.148 788 HG2 GLU 100 HG2 GLU 100 2.656 -11.328 18.053 789 HG3 GLU 100 HG3 GLU 100 2.191 -9.781 18.764 790 H ILE 101 H ILE 101 -1.645 -8.575 16.452 791 HA ILE 101 HA ILE 101 -0.029 -6.263 17.346 792 HB ILE 101 HB ILE 101 -1.571 -4.812 16.091 793 HG12 ILE 101 HG12 ILE 101 -2.979 -7.342 15.111 794 HG13 ILE 101 HG13 ILE 101 -3.643 -6.243 16.306 795 HG21 ILE 101 HG21 ILE 101 0.392 -5.690 14.898 796 HG22 ILE 101 HG22 ILE 101 -0.953 -5.483 13.783 797 HG23 ILE 101 HG23 ILE 101 -0.528 -7.096 14.363 798 HD11 ILE 101 HD11 ILE 101 -3.685 -4.458 14.639 799 HD12 ILE 101 HD12 ILE 101 -4.633 -5.863 14.152 800 HD13 ILE 101 HD13 ILE 101 -3.046 -5.582 13.435 801 H GLU 102 H GLU 102 -0.611 -5.280 19.226 802 HA GLU 102 HA GLU 102 -3.141 -6.079 20.543 803 HB2 GLU 102 HB2 GLU 102 -0.890 -6.729 21.618 804 HB3 GLU 102 HB3 GLU 102 -0.633 -5.019 21.935 805 HG2 GLU 102 HG2 GLU 102 -2.989 -6.637 22.979 806 HG3 GLU 102 HG3 GLU 102 -1.500 -6.374 23.878 807 H THR 103 H THR 103 -4.573 -4.526 20.133 808 HA THR 103 HA THR 103 -4.102 -1.739 20.676 809 HB THR 103 HB THR 103 -3.032 -1.716 18.482 810 HG1 THR 103 HG1 THR 103 -5.098 -0.622 17.318 811 HG21 THR 103 HG21 THR 103 -3.947 -3.824 17.580 812 HG22 THR 103 HG22 THR 103 -4.126 -2.498 16.429 813 HG23 THR 103 HG23 THR 103 -5.520 -3.049 17.361 814 H ASP 104 H ASP 104 -6.041 -0.443 20.307 815 HA ASP 104 HA ASP 104 -8.528 -1.857 20.861 816 HB2 ASP 104 HB2 ASP 104 -8.093 0.141 22.174 817 HB3 ASP 104 HB3 ASP 104 -7.764 1.094 20.729 818 H GLU 105 H GLU 105 -7.133 0.191 18.356 819 HA GLU 105 HA GLU 105 -9.541 -0.033 16.651 820 HB2 GLU 105 HB2 GLU 105 -8.617 1.993 15.507 821 HB3 GLU 105 HB3 GLU 105 -8.960 2.246 17.213 822 HG2 GLU 105 HG2 GLU 105 -6.444 1.766 17.600 823 HG3 GLU 105 HG3 GLU 105 -6.265 1.988 15.860 824 H ILE 106 H ILE 106 -9.208 -0.347 14.339 825 HA ILE 106 HA ILE 106 -6.762 -1.897 13.693 826 HB ILE 106 HB ILE 106 -8.663 -3.434 14.072 827 HG12 ILE 106 HG12 ILE 106 -8.570 -4.671 11.875 828 HG13 ILE 106 HG13 ILE 106 -7.771 -3.277 11.156 829 HG21 ILE 106 HG21 ILE 106 -10.558 -1.993 13.513 830 HG22 ILE 106 HG22 ILE 106 -10.639 -3.494 12.586 831 HG23 ILE 106 HG23 ILE 106 -10.095 -2.004 11.810 832 HD11 ILE 106 HD11 ILE 106 -6.698 -4.927 13.445 833 HD12 ILE 106 HD12 ILE 106 -5.879 -3.582 12.645 834 HD13 ILE 106 HD13 ILE 106 -6.221 -5.059 11.753 835 H GLY 107 H GLY 107 -9.246 0.354 12.531 836 HA2 GLY 107 HA2 GLY 107 -8.918 -0.009 9.747 837 HA3 GLY 107 HA3 GLY 107 -9.668 1.373 10.525 838 H THR 108 H THR 108 -7.328 2.187 11.992 839 HA THR 108 HA THR 108 -6.056 3.845 10.037 840 HB THR 108 HB THR 108 -6.516 4.637 12.334 841 HG1 THR 108 HG1 THR 108 -4.069 5.237 12.692 842 HG21 THR 108 HG21 THR 108 -6.017 2.570 13.610 843 HG22 THR 108 HG22 THR 108 -5.118 3.948 14.243 844 HG23 THR 108 HG23 THR 108 -4.300 2.753 13.235 845 H LEU 109 H LEU 109 -5.219 0.807 11.570 846 HA LEU 109 HA LEU 109 -2.400 1.032 10.700 847 HB2 LEU 109 HB2 LEU 109 -1.955 -0.599 12.623 848 HB3 LEU 109 HB3 LEU 109 -2.359 1.050 13.037 849 HG LEU 109 HG LEU 109 -4.832 0.040 13.289 850 HD11 LEU 109 HD11 LEU 109 -4.261 -2.223 12.516 851 HD12 LEU 109 HD12 LEU 109 -4.892 -2.213 14.160 852 HD13 LEU 109 HD13 LEU 109 -3.160 -2.409 13.888 853 HD21 LEU 109 HD21 LEU 109 -2.706 -0.331 15.423 854 HD22 LEU 109 HD22 LEU 109 -4.450 -0.255 15.693 855 HD23 LEU 109 HD23 LEU 109 -3.592 1.157 15.085 856 H LEU 110 H LEU 110 -5.189 -0.471 9.869 857 HA LEU 110 HA LEU 110 -3.950 -2.178 7.975 858 HB2 LEU 110 HB2 LEU 110 -3.672 -3.651 9.977 859 HB3 LEU 110 HB3 LEU 110 -5.399 -3.569 10.272 860 HG LEU 110 HG LEU 110 -5.800 -4.736 8.107 861 HD11 LEU 110 HD11 LEU 110 -2.802 -5.025 7.957 862 HD12 LEU 110 HD12 LEU 110 -3.825 -4.072 6.879 863 HD13 LEU 110 HD13 LEU 110 -3.974 -5.825 6.909 864 HD21 LEU 110 HD21 LEU 110 -5.132 -6.979 8.842 865 HD22 LEU 110 HD22 LEU 110 -5.725 -6.033 10.207 866 HD23 LEU 110 HD23 LEU 110 -3.988 -6.282 9.993 867 H THR 111 H THR 111 -5.270 -1.891 6.295 868 HA THR 111 HA THR 111 -8.067 -1.143 6.651 869 HB THR 111 HB THR 111 -6.318 -1.173 4.154 870 HG1 THR 111 HG1 THR 111 -6.907 0.699 6.147 871 HG21 THR 111 HG21 THR 111 -8.143 0.207 3.137 872 HG22 THR 111 HG22 THR 111 -9.151 -0.126 4.551 873 HG23 THR 111 HG23 THR 111 -8.655 -1.446 3.488 874 H LEU 112 H LEU 112 -9.791 -2.292 5.899 875 HA LEU 112 HA LEU 112 -9.404 -5.095 5.030 876 HB2 LEU 112 HB2 LEU 112 -11.361 -4.154 7.167 877 HB3 LEU 112 HB3 LEU 112 -11.067 -5.819 6.675 878 HG LEU 112 HG LEU 112 -8.895 -4.116 7.944 879 HD11 LEU 112 HD11 LEU 112 -10.834 -5.892 9.404 880 HD12 LEU 112 HD12 LEU 112 -10.700 -4.133 9.521 881 HD13 LEU 112 HD13 LEU 112 -9.382 -5.155 10.088 882 HD21 LEU 112 HD21 LEU 112 -7.834 -6.237 8.482 883 HD22 LEU 112 HD22 LEU 112 -8.121 -6.116 6.748 884 HD23 LEU 112 HD23 LEU 112 -9.173 -7.121 7.748 885 H VAL 113 H VAL 113 -11.080 -5.927 3.743 886 HA VAL 113 HA VAL 113 -12.892 -4.117 2.397 887 HB VAL 113 HB VAL 113 -13.605 -6.133 1.077 888 HG11 VAL 113 HG11 VAL 113 -10.579 -5.827 1.219 889 HG12 VAL 113 HG12 VAL 113 -11.676 -4.818 0.274 890 HG13 VAL 113 HG13 VAL 113 -11.487 -6.526 -0.127 891 HG21 VAL 113 HG21 VAL 113 -12.449 -8.306 1.371 892 HG22 VAL 113 HG22 VAL 113 -13.346 -7.866 2.826 893 HG23 VAL 113 HG23 VAL 113 -11.591 -7.664 2.777 894 H ASP 114 H ASP 114 -13.007 -6.525 4.918 895 HA ASP 114 HA ASP 114 -15.827 -6.929 5.078 896 HB2 ASP 114 HB2 ASP 114 -14.202 -8.553 6.000 897 HB3 ASP 114 HB3 ASP 114 -13.607 -7.350 7.136 898 H GLN 115 H GLN 115 -13.553 -5.114 7.153 899 HA GLN 115 HA GLN 115 -15.609 -3.739 8.590 900 HB2 GLN 115 HB2 GLN 115 -12.583 -3.462 8.529 901 HB3 GLN 115 HB3 GLN 115 -13.592 -2.392 9.500 902 HG2 GLN 115 HG2 GLN 115 -13.452 -5.412 9.767 903 HG3 GLN 115 HG3 GLN 115 -12.671 -4.245 10.833 904 HE21 GLN 115 HE21 GLN 115 -13.982 -2.960 12.220 905 HE22 GLN 115 HE22 GLN 115 -15.587 -3.446 12.631 906 HA PRO 116 HA PRO 116 -16.448 -0.348 5.860 907 HB2 PRO 116 HB2 PRO 116 -17.203 1.614 7.634 908 HB3 PRO 116 HB3 PRO 116 -18.206 0.200 7.279 909 HG2 PRO 116 HG2 PRO 116 -16.305 0.646 9.584 910 HG3 PRO 116 HG3 PRO 116 -17.973 0.033 9.621 911 HD2 PRO 116 HD2 PRO 116 -15.868 -1.642 9.739 912 HD3 PRO 116 HD3 PRO 116 -17.343 -2.093 8.854 913 H GLN 117 H GLN 117 -15.865 1.834 5.289 914 HA GLN 117 HA GLN 117 -13.021 2.349 5.527 915 HB2 GLN 117 HB2 GLN 117 -15.126 3.975 4.040 916 HB3 GLN 117 HB3 GLN 117 -13.391 3.955 3.737 917 HG2 GLN 117 HG2 GLN 117 -13.494 1.745 2.792 918 HG3 GLN 117 HG3 GLN 117 -15.151 1.512 3.346 919 HE21 GLN 117 HE21 GLN 117 -15.939 1.069 1.306 920 HE22 GLN 117 HE22 GLN 117 -16.097 2.271 0.079 921 H ALA 118 H ALA 118 -12.140 4.344 6.261 922 HA ALA 118 HA ALA 118 -13.435 5.445 8.596 923 HB1 ALA 118 HB1 ALA 118 -11.309 6.644 8.911 924 HB2 ALA 118 HB2 ALA 118 -10.775 6.143 7.305 925 HB3 ALA 118 HB3 ALA 118 -11.023 4.935 8.568 Start of MODEL 2 1 H MET 1 H MET 1 -0.351 0.049 0.426 2 HA MET 1 HA MET 1 1.335 0.016 -1.308 3 HB2 MET 1 HB2 MET 1 1.939 0.606 1.041 4 HB3 MET 1 HB3 MET 1 2.286 -1.085 1.377 5 HG2 MET 1 HG2 MET 1 4.133 -1.034 -0.237 6 HG3 MET 1 HG3 MET 1 3.776 0.656 -0.607 7 HE1 MET 1 HE1 MET 1 6.345 1.236 -0.125 8 HE2 MET 1 HE2 MET 1 6.680 -0.446 0.290 9 HE3 MET 1 HE3 MET 1 7.166 0.847 1.386 10 H ARG 2 H ARG 2 2.294 -1.177 -2.824 11 HA ARG 2 HA ARG 2 2.017 -4.059 -2.961 12 HB2 ARG 2 HB2 ARG 2 3.507 -2.215 -4.884 13 HB3 ARG 2 HB3 ARG 2 2.807 -3.797 -5.238 14 HG2 ARG 2 HG2 ARG 2 0.572 -2.933 -5.083 15 HG3 ARG 2 HG3 ARG 2 1.143 -1.411 -4.402 16 HD2 ARG 2 HD2 ARG 2 2.399 -1.082 -6.627 17 HD3 ARG 2 HD3 ARG 2 1.386 -2.393 -7.250 18 HE ARG 2 HE ARG 2 -0.546 -0.943 -6.444 19 HH11 ARG 2 HH11 ARG 2 2.439 0.432 -7.704 20 HH12 ARG 2 HH12 ARG 2 1.687 1.937 -8.135 21 HH21 ARG 2 HH21 ARG 2 -1.483 1.027 -6.965 22 HH22 ARG 2 HH22 ARG 2 -0.533 2.271 -7.711 23 H LEU 3 H LEU 3 3.406 -5.213 -1.704 24 HA LEU 3 HA LEU 3 6.274 -5.042 -2.086 25 HB2 LEU 3 HB2 LEU 3 6.482 -5.052 0.577 26 HB3 LEU 3 HB3 LEU 3 6.422 -3.555 -0.330 27 HG LEU 3 HG LEU 3 4.043 -3.242 0.270 28 HD11 LEU 3 HD11 LEU 3 3.281 -5.538 0.406 29 HD12 LEU 3 HD12 LEU 3 2.913 -4.680 1.900 30 HD13 LEU 3 HD13 LEU 3 4.268 -5.811 1.845 31 HD21 LEU 3 HD21 LEU 3 5.752 -3.788 2.727 32 HD22 LEU 3 HD22 LEU 3 4.309 -2.770 2.666 33 HD23 LEU 3 HD23 LEU 3 5.753 -2.301 1.774 34 H LYS 4 H LYS 4 7.349 -6.773 -0.484 35 HA LYS 4 HA LYS 4 6.256 -9.345 -1.020 36 HB2 LYS 4 HB2 LYS 4 8.362 -8.580 1.051 37 HB3 LYS 4 HB3 LYS 4 7.997 -10.220 0.522 38 HG2 LYS 4 HG2 LYS 4 8.755 -9.612 -1.770 39 HG3 LYS 4 HG3 LYS 4 9.235 -8.021 -1.159 40 HD2 LYS 4 HD2 LYS 4 10.316 -10.710 -0.200 41 HD3 LYS 4 HD3 LYS 4 11.169 -9.580 -1.253 42 HE2 LYS 4 HE2 LYS 4 11.267 -7.926 0.553 43 HE3 LYS 4 HE3 LYS 4 10.299 -8.965 1.598 44 HZ1 LYS 4 HZ1 LYS 4 13.016 -9.591 0.581 45 HZ2 LYS 4 HZ2 LYS 4 12.086 -10.589 1.582 46 HZ3 LYS 4 HZ3 LYS 4 12.627 -9.093 2.149 47 H SER 5 H SER 5 5.671 -10.952 0.612 48 HA SER 5 HA SER 5 3.660 -10.243 2.459 49 HB2 SER 5 HB2 SER 5 5.291 -12.819 2.495 50 HB3 SER 5 HB3 SER 5 3.600 -12.598 2.952 51 HG SER 5 HG SER 5 3.054 -12.836 0.939 52 H GLU 6 H GLU 6 7.086 -11.088 2.845 53 HA GLU 6 HA GLU 6 7.380 -10.946 5.635 54 HB2 GLU 6 HB2 GLU 6 9.061 -11.951 4.178 55 HB3 GLU 6 HB3 GLU 6 9.350 -10.425 3.365 56 HG2 GLU 6 HG2 GLU 6 9.909 -10.699 6.318 57 HG3 GLU 6 HG3 GLU 6 11.048 -11.353 5.149 58 H MET 7 H MET 7 7.922 -8.507 3.129 59 HA MET 7 HA MET 7 8.604 -6.350 4.855 60 HB2 MET 7 HB2 MET 7 9.243 -6.489 2.435 61 HB3 MET 7 HB3 MET 7 7.559 -6.253 1.991 62 HG2 MET 7 HG2 MET 7 8.786 -4.186 1.708 63 HG3 MET 7 HG3 MET 7 7.620 -3.998 3.011 64 HE1 MET 7 HE1 MET 7 8.369 -3.804 5.650 65 HE2 MET 7 HE2 MET 7 8.398 -2.300 4.728 66 HE3 MET 7 HE3 MET 7 9.719 -2.682 5.832 67 H PHE 8 H PHE 8 5.558 -7.648 3.689 68 HA PHE 8 HA PHE 8 3.829 -5.476 4.289 69 HB2 PHE 8 HB2 PHE 8 3.201 -7.462 2.862 70 HB3 PHE 8 HB3 PHE 8 3.171 -8.462 4.310 71 HD1 PHE 8 HD2 PHE 8 1.323 -8.197 5.974 72 HD2 PHE 8 HD1 PHE 8 1.392 -5.911 2.360 73 HE1 PHE 8 HE2 PHE 8 -1.034 -7.576 6.308 74 HE2 PHE 8 HE1 PHE 8 -0.958 -5.306 2.703 75 HZ PHE 8 HZ PHE 8 -2.171 -6.133 4.670 76 H VAL 9 H VAL 9 4.801 -8.364 6.116 77 HA VAL 9 HA VAL 9 3.439 -7.895 8.534 78 HB VAL 9 HB VAL 9 6.044 -9.382 7.994 79 HG11 VAL 9 HG11 VAL 9 5.710 -10.512 10.186 80 HG12 VAL 9 HG12 VAL 9 4.405 -9.380 10.545 81 HG13 VAL 9 HG13 VAL 9 6.053 -8.788 10.350 82 HG21 VAL 9 HG21 VAL 9 4.079 -10.321 6.867 83 HG22 VAL 9 HG22 VAL 9 3.220 -10.403 8.407 84 HG23 VAL 9 HG23 VAL 9 4.651 -11.402 8.138 85 H SER 10 H SER 10 6.787 -7.154 7.618 86 HA SER 10 HA SER 10 7.647 -6.017 10.018 87 HB2 SER 10 HB2 SER 10 8.646 -5.456 7.194 88 HB3 SER 10 HB3 SER 10 9.534 -5.128 8.686 89 HG SER 10 HG SER 10 9.381 -7.406 7.289 90 H ALA 11 H ALA 11 6.204 -4.516 7.131 91 HA ALA 11 HA ALA 11 6.343 -1.817 8.031 92 HB1 ALA 11 HB1 ALA 11 6.065 -2.398 5.649 93 HB2 ALA 11 HB2 ALA 11 4.775 -1.323 6.197 94 HB3 ALA 11 HB3 ALA 11 4.462 -3.050 5.986 95 H LEU 12 H LEU 12 3.887 -4.365 8.293 96 HA LEU 12 HA LEU 12 1.686 -2.852 9.170 97 HB2 LEU 12 HB2 LEU 12 1.898 -5.342 8.343 98 HB3 LEU 12 HB3 LEU 12 2.116 -5.714 10.038 99 HG LEU 12 HG LEU 12 -0.356 -4.384 8.849 100 HD11 LEU 12 HD11 LEU 12 0.034 -7.263 9.689 101 HD12 LEU 12 HD12 LEU 12 -0.098 -6.666 8.033 102 HD13 LEU 12 HD13 LEU 12 -1.474 -6.534 9.125 103 HD21 LEU 12 HD21 LEU 12 0.039 -5.506 11.645 104 HD22 LEU 12 HD22 LEU 12 -1.471 -4.867 10.985 105 HD23 LEU 12 HD23 LEU 12 -0.090 -3.798 11.222 106 H ILE 13 H ILE 13 4.185 -4.546 10.936 107 HA ILE 13 HA ILE 13 3.335 -4.129 13.566 108 HB ILE 13 HB ILE 13 6.100 -4.521 12.351 109 HG12 ILE 13 HG12 ILE 13 4.383 -6.509 13.899 110 HG13 ILE 13 HG13 ILE 13 4.306 -6.345 12.151 111 HG21 ILE 13 HG21 ILE 13 5.418 -4.612 15.309 112 HG22 ILE 13 HG22 ILE 13 6.456 -3.429 14.511 113 HG23 ILE 13 HG23 ILE 13 6.949 -5.120 14.592 114 HD11 ILE 13 HD11 ILE 13 6.646 -7.003 11.988 115 HD12 ILE 13 HD12 ILE 13 5.650 -8.224 12.781 116 HD13 ILE 13 HD13 ILE 13 6.713 -7.195 13.744 117 H ARG 14 H ARG 14 5.428 -2.136 11.466 118 HA ARG 14 HA ARG 14 5.833 -0.073 13.434 119 HB2 ARG 14 HB2 ARG 14 6.550 -0.304 10.501 120 HB3 ARG 14 HB3 ARG 14 6.717 1.237 11.332 121 HG2 ARG 14 HG2 ARG 14 8.865 0.157 11.370 122 HG3 ARG 14 HG3 ARG 14 8.218 0.128 13.009 123 HD2 ARG 14 HD2 ARG 14 7.338 -2.267 12.279 124 HD3 ARG 14 HD3 ARG 14 8.619 -2.134 11.074 125 HE ARG 14 HE ARG 14 9.671 -1.527 13.612 126 HH11 ARG 14 HH11 ARG 14 8.526 -4.301 11.771 127 HH12 ARG 14 HH12 ARG 14 9.378 -5.453 12.747 128 HH21 ARG 14 HH21 ARG 14 10.737 -3.041 14.907 129 HH22 ARG 14 HH22 ARG 14 10.638 -4.731 14.533 130 H ARG 15 H ARG 15 3.353 -0.702 11.071 131 HA ARG 15 HA ARG 15 2.223 1.904 10.868 132 HB2 ARG 15 HB2 ARG 15 0.871 -0.816 10.611 133 HB3 ARG 15 HB3 ARG 15 0.082 0.714 10.245 134 HG2 ARG 15 HG2 ARG 15 1.950 1.053 8.496 135 HG3 ARG 15 HG3 ARG 15 2.316 -0.657 8.739 136 HD2 ARG 15 HD2 ARG 15 0.818 -0.417 6.823 137 HD3 ARG 15 HD3 ARG 15 -0.059 -1.219 8.139 138 HE ARG 15 HE ARG 15 -0.554 1.470 8.465 139 HH11 ARG 15 HH11 ARG 15 -1.242 -0.855 5.907 140 HH12 ARG 15 HH12 ARG 15 -2.598 0.051 5.317 141 HH21 ARG 15 HH21 ARG 15 -2.317 2.598 7.697 142 HH22 ARG 15 HH22 ARG 15 -3.201 2.003 6.335 143 H VAL 16 H VAL 16 1.633 -0.832 13.089 144 HA VAL 16 HA VAL 16 -0.528 0.465 14.467 145 HB VAL 16 HB VAL 16 -0.666 -1.397 15.939 146 HG11 VAL 16 HG11 VAL 16 0.274 -2.509 13.275 147 HG12 VAL 16 HG12 VAL 16 -1.349 -1.940 13.648 148 HG13 VAL 16 HG13 VAL 16 -0.712 -3.364 14.467 149 HG21 VAL 16 HG21 VAL 16 1.701 -1.519 16.636 150 HG22 VAL 16 HG22 VAL 16 2.107 -2.288 15.103 151 HG23 VAL 16 HG23 VAL 16 1.042 -3.110 16.246 152 H PHE 17 H PHE 17 2.967 0.159 15.025 153 HA PHE 17 HA PHE 17 2.971 1.403 17.608 154 HB2 PHE 17 HB2 PHE 17 5.165 0.755 15.613 155 HB3 PHE 17 HB3 PHE 17 5.515 1.734 17.034 156 HD1 PHE 17 HD2 PHE 17 4.817 0.729 19.339 157 HD2 PHE 17 HD1 PHE 17 5.290 -1.627 15.811 158 HE1 PHE 17 HE2 PHE 17 5.067 -1.291 20.714 159 HE2 PHE 17 HE1 PHE 17 5.526 -3.650 17.195 160 HZ PHE 17 HZ PHE 17 5.417 -3.479 19.646 161 H ALA 18 H ALA 18 3.117 2.609 14.299 162 HA ALA 18 HA ALA 18 3.602 5.355 14.862 163 HB1 ALA 18 HB1 ALA 18 2.602 5.786 12.644 164 HB2 ALA 18 HB2 ALA 18 1.989 4.129 12.593 165 HB3 ALA 18 HB3 ALA 18 3.728 4.428 12.578 166 H ALA 19 H ALA 19 0.665 3.368 14.829 167 HA ALA 19 HA ALA 19 -1.211 5.465 15.416 168 HB1 ALA 19 HB1 ALA 19 -1.901 3.372 14.318 169 HB2 ALA 19 HB2 ALA 19 -2.813 3.623 15.808 170 HB3 ALA 19 HB3 ALA 19 -1.487 2.454 15.765 171 H GLY 20 H GLY 20 0.908 3.465 17.330 172 HA2 GLY 20 HA2 GLY 20 1.578 4.213 19.532 173 HA3 GLY 20 HA3 GLY 20 -0.081 4.688 19.859 174 H GLY 21 H GLY 21 -0.352 1.840 18.272 175 HA2 GLY 21 HA2 GLY 21 -0.964 0.289 20.617 176 HA3 GLY 21 HA3 GLY 21 -1.119 -0.213 18.944 177 H PHE 22 H PHE 22 -0.266 -2.258 19.311 178 HA PHE 22 HA PHE 22 2.633 -2.503 19.774 179 HB2 PHE 22 HB2 PHE 22 1.659 -2.855 21.996 180 HB3 PHE 22 HB3 PHE 22 0.472 -3.982 21.353 181 HD1 PHE 22 HD1 PHE 22 4.187 -3.536 21.708 182 HD2 PHE 22 HD2 PHE 22 0.929 -6.298 21.464 183 HE1 PHE 22 HE1 PHE 22 5.725 -5.397 22.175 184 HE2 PHE 22 HE2 PHE 22 2.475 -8.154 21.934 185 HZ PHE 22 HZ PHE 22 4.871 -7.704 22.291 186 H ALA 23 H ALA 23 3.495 -4.567 18.973 187 HA ALA 23 HA ALA 23 1.824 -6.450 17.553 188 HB1 ALA 23 HB1 ALA 23 2.890 -6.113 15.329 189 HB2 ALA 23 HB2 ALA 23 3.681 -4.656 15.944 190 HB3 ALA 23 HB3 ALA 23 1.924 -4.728 15.827 191 H ALA 24 H ALA 24 3.028 -8.252 16.691 192 HA ALA 24 HA ALA 24 5.857 -8.547 16.967 193 HB1 ALA 24 HB1 ALA 24 5.296 -8.667 19.365 194 HB2 ALA 24 HB2 ALA 24 5.888 -10.223 18.776 195 HB3 ALA 24 HB3 ALA 24 4.159 -9.980 19.046 196 H VAL 25 H VAL 25 6.338 -9.877 15.341 197 HA VAL 25 HA VAL 25 4.378 -11.697 14.202 198 HB VAL 25 HB VAL 25 5.625 -10.491 12.575 199 HG11 VAL 25 HG11 VAL 25 7.604 -9.832 13.840 200 HG12 VAL 25 HG12 VAL 25 8.089 -10.558 12.306 201 HG13 VAL 25 HG13 VAL 25 8.219 -11.487 13.802 202 HG21 VAL 25 HG21 VAL 25 6.667 -13.352 12.596 203 HG22 VAL 25 HG22 VAL 25 6.620 -12.288 11.191 204 HG23 VAL 25 HG23 VAL 25 5.115 -12.812 11.946 205 H GLU 26 H GLU 26 4.061 -13.544 15.190 206 HA GLU 26 HA GLU 26 6.040 -14.943 16.750 207 HB2 GLU 26 HB2 GLU 26 3.168 -15.698 16.054 208 HB3 GLU 26 HB3 GLU 26 4.177 -16.507 17.253 209 HG2 GLU 26 HG2 GLU 26 3.139 -13.658 17.360 210 HG3 GLU 26 HG3 GLU 26 2.623 -15.009 18.366 211 H LYS 27 H LYS 27 3.958 -16.005 14.017 212 HA LYS 27 HA LYS 27 5.844 -18.177 13.406 213 HB2 LYS 27 HB2 LYS 27 3.384 -18.637 13.582 214 HB3 LYS 27 HB3 LYS 27 3.107 -17.594 12.189 215 HG2 LYS 27 HG2 LYS 27 4.290 -19.106 10.728 216 HG3 LYS 27 HG3 LYS 27 4.858 -20.066 12.094 217 HD2 LYS 27 HD2 LYS 27 2.451 -20.654 12.588 218 HD3 LYS 27 HD3 LYS 27 1.996 -19.823 11.097 219 HE2 LYS 27 HE2 LYS 27 2.165 -22.282 10.794 220 HE3 LYS 27 HE3 LYS 27 3.315 -21.412 9.779 221 HZ1 LYS 27 HZ1 LYS 27 4.002 -22.641 12.392 222 HZ2 LYS 27 HZ2 LYS 27 5.075 -21.961 11.273 223 HZ3 LYS 27 HZ3 LYS 27 4.248 -23.386 10.896 224 H LYS 28 H LYS 28 6.760 -18.445 11.353 225 HA LYS 28 HA LYS 28 6.876 -16.092 9.581 226 HB2 LYS 28 HB2 LYS 28 8.753 -15.969 11.192 227 HB3 LYS 28 HB3 LYS 28 9.253 -17.601 10.758 228 HG2 LYS 28 HG2 LYS 28 9.785 -16.851 8.480 229 HG3 LYS 28 HG3 LYS 28 9.227 -15.223 8.876 230 HD2 LYS 28 HD2 LYS 28 11.025 -15.103 10.634 231 HD3 LYS 28 HD3 LYS 28 11.619 -16.670 10.078 232 HE2 LYS 28 HE2 LYS 28 12.052 -15.687 7.837 233 HE3 LYS 28 HE3 LYS 28 11.479 -14.122 8.422 234 HZ1 LYS 28 HZ1 LYS 28 13.271 -14.206 10.094 235 HZ2 LYS 28 HZ2 LYS 28 13.848 -14.173 8.507 236 HZ3 LYS 28 HZ3 LYS 28 13.852 -15.623 9.378 237 H GLY 29 H GLY 29 6.767 -16.645 7.476 238 HA2 GLY 29 HA2 GLY 29 7.527 -19.373 6.585 239 HA3 GLY 29 HA3 GLY 29 5.992 -18.655 6.120 240 H ALA 30 H ALA 30 6.063 -18.033 4.029 241 HA ALA 30 HA ALA 30 8.615 -17.658 2.689 242 HB1 ALA 30 HB1 ALA 30 7.294 -17.660 0.607 243 HB2 ALA 30 HB2 ALA 30 5.798 -17.644 1.545 244 HB3 ALA 30 HB3 ALA 30 6.881 -19.033 1.630 245 H GLU 31 H GLU 31 9.351 -15.806 1.658 246 HA GLU 31 HA GLU 31 8.580 -13.348 2.916 247 HB2 GLU 31 HB2 GLU 31 10.696 -13.952 0.830 248 HB3 GLU 31 HB3 GLU 31 10.428 -12.345 1.505 249 HG2 GLU 31 HG2 GLU 31 10.806 -13.428 3.810 250 HG3 GLU 31 HG3 GLU 31 11.421 -14.827 2.925 251 H ALA 32 H ALA 32 8.558 -14.428 -0.509 252 HA ALA 32 HA ALA 32 7.341 -11.869 -1.300 253 HB1 ALA 32 HB1 ALA 32 9.318 -12.631 -2.521 254 HB2 ALA 32 HB2 ALA 32 7.917 -12.538 -3.591 255 HB3 ALA 32 HB3 ALA 32 8.476 -14.107 -3.001 256 H ALA 33 H ALA 33 6.574 -15.319 -1.200 257 HA ALA 33 HA ALA 33 4.002 -14.849 -2.622 258 HB1 ALA 33 HB1 ALA 33 4.069 -17.235 -3.191 259 HB2 ALA 33 HB2 ALA 33 5.546 -17.444 -2.244 260 HB3 ALA 33 HB3 ALA 33 5.560 -16.441 -3.695 261 H GLY 34 H GLY 34 4.984 -14.917 0.463 262 HA2 GLY 34 HA2 GLY 34 3.663 -17.140 1.649 263 HA3 GLY 34 HA3 GLY 34 4.343 -15.759 2.486 264 H ALA 35 H ALA 35 1.776 -17.321 2.783 265 HA ALA 35 HA ALA 35 -0.302 -15.311 2.604 266 HB1 ALA 35 HB1 ALA 35 -0.891 -17.707 2.652 267 HB2 ALA 35 HB2 ALA 35 -1.596 -16.875 4.037 268 HB3 ALA 35 HB3 ALA 35 -0.158 -17.875 4.251 269 H ILE 36 H ILE 36 -1.227 -14.275 4.582 270 HA ILE 36 HA ILE 36 0.610 -13.959 6.869 271 HB ILE 36 HB ILE 36 -0.658 -11.537 5.513 272 HG12 ILE 36 HG12 ILE 36 1.142 -12.384 4.040 273 HG13 ILE 36 HG13 ILE 36 1.555 -10.819 4.733 274 HG21 ILE 36 HG21 ILE 36 -0.353 -11.262 7.920 275 HG22 ILE 36 HG22 ILE 36 0.754 -10.201 7.048 276 HG23 ILE 36 HG23 ILE 36 1.354 -11.693 7.780 277 HD11 ILE 36 HD11 ILE 36 2.963 -11.995 6.394 278 HD12 ILE 36 HD12 ILE 36 3.476 -12.215 4.732 279 HD13 ILE 36 HD13 ILE 36 2.621 -13.509 5.561 280 H PHE 37 H PHE 37 -0.635 -14.459 8.590 281 HA PHE 37 HA PHE 37 -3.459 -13.595 8.637 282 HB2 PHE 37 HB2 PHE 37 -2.193 -16.164 9.655 283 HB3 PHE 37 HB3 PHE 37 -3.757 -15.606 10.248 284 HD1 PHE 37 HD1 PHE 37 -1.937 -16.651 7.168 285 HD2 PHE 37 HD2 PHE 37 -5.746 -15.856 8.936 286 HE1 PHE 37 HE1 PHE 37 -3.051 -17.531 5.163 287 HE2 PHE 37 HE2 PHE 37 -6.847 -16.740 6.928 288 HZ PHE 37 HZ PHE 37 -5.508 -17.574 5.042 289 H VAL 38 H VAL 38 -3.743 -11.996 9.945 290 HA VAL 38 HA VAL 38 -1.853 -11.459 12.158 291 HB VAL 38 HB VAL 38 -3.594 -9.513 10.561 292 HG11 VAL 38 HG11 VAL 38 -1.464 -8.914 12.650 293 HG12 VAL 38 HG12 VAL 38 -3.204 -8.701 12.863 294 HG13 VAL 38 HG13 VAL 38 -2.332 -7.711 11.690 295 HG21 VAL 38 HG21 VAL 38 -1.742 -10.469 9.215 296 HG22 VAL 38 HG22 VAL 38 -0.587 -9.926 10.436 297 HG23 VAL 38 HG23 VAL 38 -1.518 -8.744 9.518 298 H ARG 39 H ARG 39 -2.680 -11.324 14.181 299 HA ARG 39 HA ARG 39 -5.612 -11.465 14.537 300 HB2 ARG 39 HB2 ARG 39 -5.096 -12.684 16.691 301 HB3 ARG 39 HB3 ARG 39 -4.680 -13.560 15.224 302 HG2 ARG 39 HG2 ARG 39 -2.308 -12.994 15.541 303 HG3 ARG 39 HG3 ARG 39 -2.714 -12.073 16.991 304 HD2 ARG 39 HD2 ARG 39 -3.047 -15.068 16.596 305 HD3 ARG 39 HD3 ARG 39 -1.848 -14.263 17.619 306 HE ARG 39 HE ARG 39 -4.774 -14.138 18.097 307 HH11 ARG 39 HH11 ARG 39 -1.513 -14.429 19.377 308 HH12 ARG 39 HH12 ARG 39 -2.039 -14.522 21.026 309 HH21 ARG 39 HH21 ARG 39 -5.450 -14.255 20.256 310 HH22 ARG 39 HH22 ARG 39 -4.282 -14.410 21.524 311 H GLN 40 H GLN 40 -6.440 -9.633 15.292 312 HA GLN 40 HA GLN 40 -4.759 -7.693 16.718 313 HB2 GLN 40 HB2 GLN 40 -5.979 -6.763 14.847 314 HB3 GLN 40 HB3 GLN 40 -7.500 -7.419 15.449 315 HG2 GLN 40 HG2 GLN 40 -7.231 -5.928 17.484 316 HG3 GLN 40 HG3 GLN 40 -5.855 -5.185 16.674 317 HE21 GLN 40 HE21 GLN 40 -8.428 -4.049 17.540 318 HE22 GLN 40 HE22 GLN 40 -9.125 -3.334 16.130 319 H ARG 41 H ARG 41 -4.812 -7.675 18.877 320 HA ARG 41 HA ARG 41 -7.015 -8.742 20.423 321 HB2 ARG 41 HB2 ARG 41 -4.597 -9.063 21.051 322 HB3 ARG 41 HB3 ARG 41 -4.486 -7.330 21.328 323 HG2 ARG 41 HG2 ARG 41 -6.202 -7.528 23.120 324 HG3 ARG 41 HG3 ARG 41 -6.240 -9.278 22.864 325 HD2 ARG 41 HD2 ARG 41 -3.895 -7.608 23.832 326 HD3 ARG 41 HD3 ARG 41 -4.814 -8.791 24.767 327 HE ARG 41 HE ARG 41 -3.935 -10.468 23.085 328 HH11 ARG 41 HH11 ARG 41 -2.067 -7.622 23.994 329 HH12 ARG 41 HH12 ARG 41 -0.546 -8.368 23.617 330 HH21 ARG 41 HH21 ARG 41 -1.934 -11.397 22.546 331 HH22 ARG 41 HH22 ARG 41 -0.475 -10.490 22.773 332 H LEU 42 H LEU 42 -8.771 -7.436 20.767 333 HA LEU 42 HA LEU 42 -8.693 -4.561 20.909 334 HB2 LEU 42 HB2 LEU 42 -10.823 -6.500 21.929 335 HB3 LEU 42 HB3 LEU 42 -11.007 -4.762 21.857 336 HG LEU 42 HG LEU 42 -12.254 -5.560 20.048 337 HD11 LEU 42 HD11 LEU 42 -9.607 -4.788 18.823 338 HD12 LEU 42 HD12 LEU 42 -10.852 -3.683 19.411 339 HD13 LEU 42 HD13 LEU 42 -11.190 -4.736 18.040 340 HD21 LEU 42 HD21 LEU 42 -9.994 -7.399 19.234 341 HD22 LEU 42 HD22 LEU 42 -11.550 -7.223 18.416 342 HD23 LEU 42 HD23 LEU 42 -11.485 -7.871 20.050 343 H ARG 43 H ARG 43 -8.771 -3.270 22.767 344 HA ARG 43 HA ARG 43 -7.594 -4.154 25.200 345 HB2 ARG 43 HB2 ARG 43 -8.227 -1.833 26.022 346 HB3 ARG 43 HB3 ARG 43 -7.252 -1.882 24.567 347 HG2 ARG 43 HG2 ARG 43 -8.800 -0.189 24.120 348 HG3 ARG 43 HG3 ARG 43 -9.470 -1.577 23.263 349 HD2 ARG 43 HD2 ARG 43 -10.988 -1.949 25.252 350 HD3 ARG 43 HD3 ARG 43 -10.384 -0.432 25.924 351 HE ARG 43 HE ARG 43 -11.259 0.185 23.384 352 HH11 ARG 43 HH11 ARG 43 -12.770 -1.098 26.298 353 HH12 ARG 43 HH12 ARG 43 -14.342 -0.512 25.868 354 HH21 ARG 43 HH21 ARG 43 -13.335 0.903 22.845 355 HH22 ARG 43 HH22 ARG 43 -14.656 0.620 23.932 356 H ASP 44 H ASP 44 -10.741 -4.396 24.010 357 HA ASP 44 HA ASP 44 -12.308 -4.489 26.375 358 HB2 ASP 44 HB2 ASP 44 -12.789 -5.871 23.691 359 HB3 ASP 44 HB3 ASP 44 -14.001 -5.557 24.932 360 H GLY 45 H GLY 45 -10.050 -6.687 24.988 361 HA2 GLY 45 HA2 GLY 45 -9.186 -8.585 26.107 362 HA3 GLY 45 HA3 GLY 45 -10.709 -8.779 26.960 363 H ARG 46 H ARG 46 -10.548 -8.158 23.538 364 HA ARG 46 HA ARG 46 -11.301 -10.950 22.875 365 HB2 ARG 46 HB2 ARG 46 -12.373 -8.360 21.670 366 HB3 ARG 46 HB3 ARG 46 -12.696 -9.965 21.019 367 HG2 ARG 46 HG2 ARG 46 -13.562 -8.922 23.740 368 HG3 ARG 46 HG3 ARG 46 -14.598 -9.157 22.325 369 HD2 ARG 46 HD2 ARG 46 -14.006 -11.611 22.395 370 HD3 ARG 46 HD3 ARG 46 -13.165 -11.310 23.923 371 HE ARG 46 HE ARG 46 -15.520 -10.374 24.583 372 HH11 ARG 46 HH11 ARG 46 -14.922 -13.265 22.658 373 HH12 ARG 46 HH12 ARG 46 -16.353 -14.066 23.213 374 HH21 ARG 46 HH21 ARG 46 -17.388 -11.439 25.284 375 HH22 ARG 46 HH22 ARG 46 -17.753 -13.031 24.706 376 H GLU 47 H GLU 47 -11.035 -11.252 20.393 377 HA GLU 47 HA GLU 47 -8.555 -10.030 19.390 378 HB2 GLU 47 HB2 GLU 47 -9.120 -13.021 19.551 379 HB3 GLU 47 HB3 GLU 47 -7.948 -12.345 18.429 380 HG2 GLU 47 HG2 GLU 47 -6.719 -13.173 20.278 381 HG3 GLU 47 HG3 GLU 47 -6.694 -11.417 20.389 382 H ASN 48 H ASN 48 -8.240 -10.395 17.104 383 HA ASN 48 HA ASN 48 -10.610 -11.045 15.461 384 HB2 ASN 48 HB2 ASN 48 -8.593 -8.832 14.829 385 HB3 ASN 48 HB3 ASN 48 -9.972 -9.292 13.839 386 HD21 ASN 48 HD21 ASN 48 -8.941 -7.655 16.701 387 HD22 ASN 48 HD22 ASN 48 -10.373 -6.739 16.948 388 H LEU 49 H LEU 49 -9.765 -11.449 13.120 389 HA LEU 49 HA LEU 49 -7.021 -12.322 12.892 390 HB2 LEU 49 HB2 LEU 49 -8.959 -14.272 13.491 391 HB3 LEU 49 HB3 LEU 49 -8.800 -14.400 11.755 392 HG LEU 49 HG LEU 49 -6.512 -14.630 13.736 393 HD11 LEU 49 HD11 LEU 49 -7.956 -16.803 12.220 394 HD12 LEU 49 HD12 LEU 49 -7.979 -16.529 13.959 395 HD13 LEU 49 HD13 LEU 49 -6.486 -17.031 13.170 396 HD21 LEU 49 HD21 LEU 49 -5.727 -13.755 11.590 397 HD22 LEU 49 HD22 LEU 49 -6.509 -15.086 10.734 398 HD23 LEU 49 HD23 LEU 49 -5.158 -15.409 11.823 399 H TYR 50 H TYR 50 -6.297 -12.198 10.811 400 HA TYR 50 HA TYR 50 -8.122 -11.193 8.718 401 HB2 TYR 50 HB2 TYR 50 -5.382 -9.991 9.399 402 HB3 TYR 50 HB3 TYR 50 -6.494 -9.426 8.147 403 HD1 TYR 50 HD1 TYR 50 -8.897 -8.747 8.973 404 HD2 TYR 50 HD2 TYR 50 -5.496 -8.944 11.548 405 HE1 TYR 50 HE1 TYR 50 -10.060 -7.361 10.616 406 HE2 TYR 50 HE2 TYR 50 -6.673 -7.534 13.182 407 HH TYR 50 HH TYR 50 -8.540 -5.865 13.180 408 H GLY 51 H GLY 51 -7.341 -11.571 6.565 409 HA2 GLY 51 HA2 GLY 51 -5.002 -13.302 6.198 410 HA3 GLY 51 HA3 GLY 51 -6.575 -13.995 5.809 411 HA PRO 52 HA PRO 52 -4.763 -11.313 2.214 412 HB2 PRO 52 HB2 PRO 52 -4.216 -13.948 0.894 413 HB3 PRO 52 HB3 PRO 52 -3.199 -12.504 0.979 414 HG2 PRO 52 HG2 PRO 52 -2.595 -14.681 2.422 415 HG3 PRO 52 HG3 PRO 52 -2.363 -13.052 3.095 416 HD2 PRO 52 HD2 PRO 52 -4.631 -14.994 3.587 417 HD3 PRO 52 HD3 PRO 52 -3.713 -14.015 4.757 418 H ALA 53 H ALA 53 -6.445 -10.605 1.027 419 HA ALA 53 HA ALA 53 -8.717 -12.379 0.416 420 HB1 ALA 53 HB1 ALA 53 -9.963 -10.318 -0.064 421 HB2 ALA 53 HB2 ALA 53 -8.501 -9.349 0.165 422 HB3 ALA 53 HB3 ALA 53 -9.206 -10.222 1.525 423 HA PRO 54 HA PRO 54 -7.711 -12.451 -4.020 424 HB2 PRO 54 HB2 PRO 54 -10.260 -12.630 -5.080 425 HB3 PRO 54 HB3 PRO 54 -9.398 -14.002 -4.375 426 HG2 PRO 54 HG2 PRO 54 -11.498 -12.239 -3.133 427 HG3 PRO 54 HG3 PRO 54 -11.327 -14.005 -3.041 428 HD2 PRO 54 HD2 PRO 54 -10.539 -12.373 -1.020 429 HD3 PRO 54 HD3 PRO 54 -9.679 -13.883 -1.387 430 H GLN 55 H GLN 55 -6.885 -10.457 -4.456 431 HA GLN 55 HA GLN 55 -8.280 -7.980 -4.304 432 HB2 GLN 55 HB2 GLN 55 -6.265 -6.991 -5.266 433 HB3 GLN 55 HB3 GLN 55 -5.795 -8.212 -4.088 434 HG2 GLN 55 HG2 GLN 55 -5.515 -9.808 -6.076 435 HG3 GLN 55 HG3 GLN 55 -5.667 -8.388 -7.112 436 HE21 GLN 55 HE21 GLN 55 -4.041 -6.727 -6.912 437 HE22 GLN 55 HE22 GLN 55 -2.459 -7.123 -6.347 438 H SER 56 H SER 56 -8.701 -6.497 -6.172 439 HA SER 56 HA SER 56 -10.049 -7.793 -8.367 440 HB2 SER 56 HB2 SER 56 -9.415 -4.837 -7.958 441 HB3 SER 56 HB3 SER 56 -10.572 -5.502 -9.114 442 HG SER 56 HG SER 56 -11.404 -6.518 -6.959 443 H PHE 57 H PHE 57 -9.102 -8.429 -10.219 444 HA PHE 57 HA PHE 57 -6.923 -6.901 -11.414 445 HB2 PHE 57 HB2 PHE 57 -5.514 -8.905 -11.825 446 HB3 PHE 57 HB3 PHE 57 -5.664 -8.539 -10.114 447 HD1 PHE 57 HD2 PHE 57 -7.073 -9.985 -8.651 448 HD2 PHE 57 HD1 PHE 57 -6.299 -11.025 -12.719 449 HE1 PHE 57 HE2 PHE 57 -7.720 -12.303 -8.184 450 HE2 PHE 57 HE1 PHE 57 -6.954 -13.344 -12.249 451 HZ PHE 57 HZ PHE 57 -7.667 -13.985 -9.981 452 H ALA 58 H ALA 58 -6.805 -7.080 -13.632 453 HA ALA 58 HA ALA 58 -8.953 -8.631 -14.980 454 HB1 ALA 58 HB1 ALA 58 -9.006 -6.849 -16.678 455 HB2 ALA 58 HB2 ALA 58 -7.754 -5.957 -15.804 456 HB3 ALA 58 HB3 ALA 58 -9.341 -6.201 -15.073 457 H ASP 59 H ASP 59 -7.962 -10.381 -15.741 458 HA ASP 59 HA ASP 59 -6.528 -11.838 -16.679 459 HB2 ASP 59 HB2 ASP 59 -7.110 -10.385 -18.693 460 HB3 ASP 59 HB3 ASP 59 -5.610 -9.512 -18.425 461 H ASP 60 H ASP 60 -5.690 -11.155 -14.358 462 HA ASP 60 HA ASP 60 -4.003 -11.183 -12.869 463 HB2 ASP 60 HB2 ASP 60 -2.599 -12.415 -15.255 464 HB3 ASP 60 HB3 ASP 60 -1.861 -12.353 -13.659 465 H GLU 61 H GLU 61 -4.140 -8.697 -14.680 466 HA GLU 61 HA GLU 61 -1.496 -7.630 -14.848 467 HB2 GLU 61 HB2 GLU 61 -4.244 -6.319 -14.856 468 HB3 GLU 61 HB3 GLU 61 -2.753 -5.405 -15.068 469 HG2 GLU 61 HG2 GLU 61 -3.739 -7.623 -16.888 470 HG3 GLU 61 HG3 GLU 61 -3.849 -5.893 -17.211 471 H ASP 62 H ASP 62 -4.194 -6.906 -12.636 472 HA ASP 62 HA ASP 62 -2.694 -4.994 -11.140 473 HB2 ASP 62 HB2 ASP 62 -5.399 -6.183 -10.444 474 HB3 ASP 62 HB3 ASP 62 -4.720 -4.677 -9.828 475 H ILE 63 H ILE 63 -2.807 -8.369 -10.882 476 HA ILE 63 HA ILE 63 -2.239 -8.940 -8.212 477 HB ILE 63 HB ILE 63 -0.823 -10.073 -10.686 478 HG12 ILE 63 HG12 ILE 63 -3.300 -10.333 -10.810 479 HG13 ILE 63 HG13 ILE 63 -2.495 -11.891 -10.662 480 HG21 ILE 63 HG21 ILE 63 -1.026 -11.285 -7.900 481 HG22 ILE 63 HG22 ILE 63 0.434 -10.649 -8.661 482 HG23 ILE 63 HG23 ILE 63 -0.345 -12.090 -9.316 483 HD11 ILE 63 HD11 ILE 63 -3.892 -10.388 -8.459 484 HD12 ILE 63 HD12 ILE 63 -3.062 -11.937 -8.280 485 HD13 ILE 63 HD13 ILE 63 -4.484 -11.811 -9.314 486 H MET 64 H MET 64 -0.230 -7.476 -10.706 487 HA MET 64 HA MET 64 2.042 -7.041 -8.853 488 HB2 MET 64 HB2 MET 64 1.944 -7.202 -11.895 489 HB3 MET 64 HB3 MET 64 3.403 -6.898 -10.953 490 HG2 MET 64 HG2 MET 64 3.427 -9.101 -10.083 491 HG3 MET 64 HG3 MET 64 1.753 -9.402 -10.556 492 HE1 MET 64 HE1 MET 64 1.983 -9.867 -14.407 493 HE2 MET 64 HE2 MET 64 1.586 -8.378 -13.554 494 HE3 MET 64 HE3 MET 64 0.948 -9.920 -12.976 495 H ARG 65 H ARG 65 -0.485 -5.449 -10.541 496 HA ARG 65 HA ARG 65 0.897 -2.836 -10.600 497 HB2 ARG 65 HB2 ARG 65 -1.886 -3.438 -11.681 498 HB3 ARG 65 HB3 ARG 65 -0.902 -2.014 -11.999 499 HG2 ARG 65 HG2 ARG 65 -0.520 -4.826 -13.060 500 HG3 ARG 65 HG3 ARG 65 -0.852 -3.355 -13.970 501 HD2 ARG 65 HD2 ARG 65 1.721 -4.019 -12.496 502 HD3 ARG 65 HD3 ARG 65 1.481 -4.063 -14.243 503 HE ARG 65 HE ARG 65 0.958 -1.559 -13.934 504 HH11 ARG 65 HH11 ARG 65 3.290 -3.273 -11.937 505 HH12 ARG 65 HH12 ARG 65 4.351 -1.914 -11.798 506 HH21 ARG 65 HH21 ARG 65 2.332 0.219 -13.711 507 HH22 ARG 65 HH22 ARG 65 3.789 0.080 -12.787 508 H ALA 66 H ALA 66 -1.024 -4.635 -8.556 509 HA ALA 66 HA ALA 66 -1.562 -2.349 -6.812 510 HB1 ALA 66 HB1 ALA 66 -3.687 -2.594 -8.058 511 HB2 ALA 66 HB2 ALA 66 -3.891 -3.037 -6.363 512 HB3 ALA 66 HB3 ALA 66 -3.776 -4.297 -7.596 513 H GLU 67 H GLU 67 -2.043 -3.076 -4.591 514 HA GLU 67 HA GLU 67 -0.391 -5.341 -3.883 515 HB2 GLU 67 HB2 GLU 67 -0.641 -4.678 -1.556 516 HB3 GLU 67 HB3 GLU 67 -0.283 -3.260 -2.525 517 HG2 GLU 67 HG2 GLU 67 -3.078 -3.989 -1.610 518 HG3 GLU 67 HG3 GLU 67 -1.993 -2.965 -0.675 519 H ARG 68 H ARG 68 -1.015 -7.234 -2.945 520 HA ARG 68 HA ARG 68 -3.627 -8.288 -2.987 521 HB2 ARG 68 HB2 ARG 68 -2.635 -10.001 -1.324 522 HB3 ARG 68 HB3 ARG 68 -1.855 -9.869 -2.896 523 HG2 ARG 68 HG2 ARG 68 -0.130 -8.371 -1.848 524 HG3 ARG 68 HG3 ARG 68 -0.863 -8.704 -0.277 525 HD2 ARG 68 HD2 ARG 68 -0.123 -10.930 -0.266 526 HD3 ARG 68 HD3 ARG 68 0.034 -10.992 -2.027 527 HE ARG 68 HE ARG 68 1.826 -9.103 -0.831 528 HH11 ARG 68 HH11 ARG 68 1.470 -12.562 -1.355 529 HH12 ARG 68 HH12 ARG 68 3.169 -12.797 -1.619 530 HH21 ARG 68 HH21 ARG 68 4.018 -9.423 -1.218 531 HH22 ARG 68 HH22 ARG 68 4.603 -11.022 -1.548 532 H ARG 69 H ARG 69 -5.145 -7.045 -2.050 533 HA ARG 69 HA ARG 69 -4.817 -5.785 0.521 534 HB2 ARG 69 HB2 ARG 69 -6.134 -4.895 -1.510 535 HB3 ARG 69 HB3 ARG 69 -7.380 -6.066 -1.080 536 HG2 ARG 69 HG2 ARG 69 -7.887 -4.957 0.946 537 HG3 ARG 69 HG3 ARG 69 -6.378 -4.040 0.927 538 HD2 ARG 69 HD2 ARG 69 -8.702 -3.666 -0.998 539 HD3 ARG 69 HD3 ARG 69 -8.289 -2.609 0.359 540 HE ARG 69 HE ARG 69 -6.065 -2.899 -1.393 541 HH11 ARG 69 HH11 ARG 69 -9.128 -1.196 -1.145 542 HH12 ARG 69 HH12 ARG 69 -8.623 0.082 -2.201 543 HH21 ARG 69 HH21 ARG 69 -5.427 -1.228 -2.778 544 HH22 ARG 69 HH22 ARG 69 -6.529 0.064 -3.133 545 H PHE 70 H PHE 70 -6.196 -6.286 2.361 546 HA PHE 70 HA PHE 70 -6.447 -9.215 2.605 547 HB2 PHE 70 HB2 PHE 70 -5.586 -7.017 4.498 548 HB3 PHE 70 HB3 PHE 70 -6.282 -8.489 5.171 549 HD1 PHE 70 HD1 PHE 70 -4.016 -8.067 2.209 550 HD2 PHE 70 HD2 PHE 70 -4.474 -9.617 6.167 551 HE1 PHE 70 HE1 PHE 70 -1.871 -9.243 1.994 552 HE2 PHE 70 HE2 PHE 70 -2.330 -10.786 5.940 553 HZ PHE 70 HZ PHE 70 -1.030 -10.605 3.857 554 H GLU 71 H GLU 71 -7.895 -9.853 4.425 555 HA GLU 71 HA GLU 71 -10.450 -8.420 4.560 556 HB2 GLU 71 HB2 GLU 71 -11.681 -10.535 4.201 557 HB3 GLU 71 HB3 GLU 71 -10.731 -10.114 2.781 558 HG2 GLU 71 HG2 GLU 71 -9.063 -11.795 3.316 559 HG3 GLU 71 HG3 GLU 71 -9.837 -12.138 4.865 560 H THR 72 H THR 72 -11.822 -9.520 6.256 561 HA THR 72 HA THR 72 -10.176 -10.110 8.612 562 HB THR 72 HB THR 72 -13.100 -9.261 8.435 563 HG1 THR 72 HG1 THR 72 -11.264 -7.459 9.399 564 HG21 THR 72 HG21 THR 72 -12.848 -8.671 10.816 565 HG22 THR 72 HG22 THR 72 -11.194 -9.284 10.802 566 HG23 THR 72 HG23 THR 72 -12.546 -10.394 10.572 567 H ARG 73 H ARG 73 -9.951 -12.280 8.926 568 HA ARG 73 HA ARG 73 -11.772 -14.310 8.054 569 HB2 ARG 73 HB2 ARG 73 -9.389 -14.343 9.950 570 HB3 ARG 73 HB3 ARG 73 -10.327 -15.790 9.605 571 HG2 ARG 73 HG2 ARG 73 -8.795 -14.167 7.538 572 HG3 ARG 73 HG3 ARG 73 -8.235 -15.662 8.292 573 HD2 ARG 73 HD2 ARG 73 -10.474 -16.670 7.360 574 HD3 ARG 73 HD3 ARG 73 -10.463 -15.266 6.287 575 HE ARG 73 HE ARG 73 -8.299 -17.307 6.418 576 HH11 ARG 73 HH11 ARG 73 -10.263 -15.118 4.478 577 HH12 ARG 73 HH12 ARG 73 -9.538 -15.635 2.992 578 HH21 ARG 73 HH21 ARG 73 -7.378 -17.951 4.464 579 HH22 ARG 73 HH22 ARG 73 -7.921 -17.236 2.977 580 H LEU 74 H LEU 74 -10.831 -13.218 11.345 581 HA LEU 74 HA LEU 74 -13.569 -13.805 12.366 582 HB2 LEU 74 HB2 LEU 74 -10.917 -14.196 13.819 583 HB3 LEU 74 HB3 LEU 74 -12.508 -14.499 14.506 584 HG LEU 74 HG LEU 74 -11.353 -16.042 12.143 585 HD11 LEU 74 HD11 LEU 74 -11.435 -16.875 15.057 586 HD12 LEU 74 HD12 LEU 74 -9.995 -16.448 14.126 587 HD13 LEU 74 HD13 LEU 74 -10.925 -17.880 13.695 588 HD21 LEU 74 HD21 LEU 74 -13.802 -16.054 12.193 589 HD22 LEU 74 HD22 LEU 74 -13.790 -16.613 13.866 590 HD23 LEU 74 HD23 LEU 74 -13.166 -17.653 12.583 591 H ALA 75 H ALA 75 -14.154 -12.409 14.289 592 HA ALA 75 HA ALA 75 -12.479 -10.127 14.901 593 HB1 ALA 75 HB1 ALA 75 -14.043 -8.392 14.209 594 HB2 ALA 75 HB2 ALA 75 -15.161 -9.606 13.570 595 HB3 ALA 75 HB3 ALA 75 -13.580 -9.373 12.819 596 H GLY 76 H GLY 76 -12.807 -9.396 16.920 597 HA2 GLY 76 HA2 GLY 76 -13.627 -9.155 19.046 598 HA3 GLY 76 HA3 GLY 76 -15.233 -9.231 18.350 599 H VAL 77 H VAL 77 -12.923 -11.829 18.098 600 HA VAL 77 HA VAL 77 -14.761 -13.636 19.519 601 HB VAL 77 HB VAL 77 -13.578 -15.468 18.307 602 HG11 VAL 77 HG11 VAL 77 -14.588 -13.272 16.458 603 HG12 VAL 77 HG12 VAL 77 -15.583 -14.478 17.277 604 HG13 VAL 77 HG13 VAL 77 -14.434 -14.982 16.036 605 HG21 VAL 77 HG21 VAL 77 -11.350 -14.453 18.072 606 HG22 VAL 77 HG22 VAL 77 -11.995 -13.232 16.972 607 HG23 VAL 77 HG23 VAL 77 -11.962 -14.929 16.485 608 H GLU 78 H GLU 78 -13.125 -15.694 20.201 609 HA GLU 78 HA GLU 78 -11.258 -14.565 22.184 610 HB2 GLU 78 HB2 GLU 78 -11.522 -16.696 23.398 611 HB3 GLU 78 HB3 GLU 78 -13.080 -15.928 23.119 612 HG2 GLU 78 HG2 GLU 78 -13.412 -17.472 21.162 613 HG3 GLU 78 HG3 GLU 78 -11.928 -18.303 21.624 614 H GLY 79 H GLY 79 -9.274 -15.763 22.619 615 HA2 GLY 79 HA2 GLY 79 -7.655 -16.153 20.359 616 HA3 GLY 79 HA3 GLY 79 -7.237 -16.602 22.007 617 H GLU 80 H GLU 80 -9.642 -18.434 22.085 618 HA GLU 80 HA GLU 80 -8.422 -20.844 21.183 619 HB2 GLU 80 HB2 GLU 80 -10.019 -20.639 23.127 620 HB3 GLU 80 HB3 GLU 80 -11.325 -20.376 21.981 621 HG2 GLU 80 HG2 GLU 80 -11.322 -22.676 22.803 622 HG3 GLU 80 HG3 GLU 80 -11.019 -22.624 21.069 623 H GLU 81 H GLU 81 -11.012 -18.752 19.892 624 HA GLU 81 HA GLU 81 -11.669 -20.324 17.605 625 HB2 GLU 81 HB2 GLU 81 -11.974 -17.327 18.054 626 HB3 GLU 81 HB3 GLU 81 -12.687 -18.214 16.707 627 HG2 GLU 81 HG2 GLU 81 -13.350 -18.519 19.646 628 HG3 GLU 81 HG3 GLU 81 -14.358 -17.784 18.409 629 H ILE 82 H ILE 82 -9.261 -17.860 18.266 630 HA ILE 82 HA ILE 82 -8.436 -17.273 15.638 631 HB ILE 82 HB ILE 82 -6.830 -17.125 18.229 632 HG12 ILE 82 HG12 ILE 82 -8.850 -15.724 18.319 633 HG13 ILE 82 HG13 ILE 82 -7.427 -14.699 18.200 634 HG21 ILE 82 HG21 ILE 82 -5.302 -17.120 16.321 635 HG22 ILE 82 HG22 ILE 82 -5.356 -15.518 17.052 636 HG23 ILE 82 HG23 ILE 82 -6.222 -15.829 15.546 637 HD11 ILE 82 HD11 ILE 82 -7.888 -14.399 15.796 638 HD12 ILE 82 HD12 ILE 82 -9.194 -13.834 16.835 639 HD13 ILE 82 HD13 ILE 82 -9.354 -15.368 15.980 640 H ALA 83 H ALA 83 -6.943 -19.471 18.049 641 HA ALA 83 HA ALA 83 -5.019 -20.612 16.306 642 HB1 ALA 83 HB1 ALA 83 -4.818 -20.687 18.756 643 HB2 ALA 83 HB2 ALA 83 -4.709 -22.304 18.056 644 HB3 ALA 83 HB3 ALA 83 -6.201 -21.777 18.842 645 H ALA 84 H ALA 84 -8.366 -21.382 16.962 646 HA ALA 84 HA ALA 84 -8.579 -23.956 15.854 647 HB1 ALA 84 HB1 ALA 84 -10.979 -23.508 15.661 648 HB2 ALA 84 HB2 ALA 84 -10.693 -21.780 15.895 649 HB3 ALA 84 HB3 ALA 84 -10.361 -22.915 17.204 650 H LEU 85 H LEU 85 -8.760 -20.742 14.293 651 HA LEU 85 HA LEU 85 -9.156 -21.881 11.656 652 HB2 LEU 85 HB2 LEU 85 -10.054 -19.624 12.195 653 HB3 LEU 85 HB3 LEU 85 -8.415 -19.033 12.395 654 HG LEU 85 HG LEU 85 -8.386 -20.237 9.843 655 HD11 LEU 85 HD11 LEU 85 -10.743 -20.451 9.757 656 HD12 LEU 85 HD12 LEU 85 -10.188 -19.276 8.569 657 HD13 LEU 85 HD13 LEU 85 -10.969 -18.722 10.055 658 HD21 LEU 85 HD21 LEU 85 -8.572 -17.305 10.528 659 HD22 LEU 85 HD22 LEU 85 -8.128 -17.966 8.949 660 HD23 LEU 85 HD23 LEU 85 -7.115 -18.302 10.354 661 H LEU 86 H LEU 86 -6.452 -20.441 13.479 662 HA LEU 86 HA LEU 86 -4.569 -20.146 11.444 663 HB2 LEU 86 HB2 LEU 86 -4.136 -20.711 14.398 664 HB3 LEU 86 HB3 LEU 86 -2.808 -20.381 13.297 665 HG LEU 86 HG LEU 86 -5.051 -18.448 14.000 666 HD11 LEU 86 HD11 LEU 86 -2.115 -18.409 14.776 667 HD12 LEU 86 HD12 LEU 86 -3.479 -18.755 15.844 668 HD13 LEU 86 HD13 LEU 86 -3.301 -17.151 15.139 669 HD21 LEU 86 HD21 LEU 86 -3.783 -16.777 12.693 670 HD22 LEU 86 HD22 LEU 86 -4.356 -18.102 11.686 671 HD23 LEU 86 HD23 LEU 86 -2.659 -18.035 12.170 672 H GLU 87 H GLU 87 -5.435 -23.013 13.304 673 HA GLU 87 HA GLU 87 -3.261 -24.671 12.482 674 HB2 GLU 87 HB2 GLU 87 -4.566 -26.558 13.357 675 HB3 GLU 87 HB3 GLU 87 -4.622 -25.209 14.486 676 HG2 GLU 87 HG2 GLU 87 -6.864 -24.636 13.797 677 HG3 GLU 87 HG3 GLU 87 -6.822 -25.829 12.501 678 H ARG 88 H ARG 88 -6.390 -23.864 11.069 679 HA ARG 88 HA ARG 88 -6.445 -25.985 9.107 680 HB2 ARG 88 HB2 ARG 88 -7.993 -23.354 9.246 681 HB3 ARG 88 HB3 ARG 88 -8.373 -24.709 8.177 682 HG2 ARG 88 HG2 ARG 88 -8.918 -26.126 10.076 683 HG3 ARG 88 HG3 ARG 88 -8.378 -24.885 11.210 684 HD2 ARG 88 HD2 ARG 88 -10.204 -23.412 10.496 685 HD3 ARG 88 HD3 ARG 88 -10.730 -24.608 9.304 686 HE ARG 88 HE ARG 88 -10.866 -24.900 12.250 687 HH11 ARG 88 HH11 ARG 88 -12.009 -25.863 9.059 688 HH12 ARG 88 HH12 ARG 88 -13.215 -26.941 9.689 689 HH21 ARG 88 HH21 ARG 88 -12.435 -26.331 13.049 690 HH22 ARG 88 HH22 ARG 88 -13.456 -27.202 11.950 691 H GLU 89 H GLU 89 -5.836 -22.484 9.014 692 HA GLU 89 HA GLU 89 -5.277 -22.286 6.259 693 HB2 GLU 89 HB2 GLU 89 -4.336 -20.421 8.475 694 HB3 GLU 89 HB3 GLU 89 -4.496 -20.023 6.762 695 HG2 GLU 89 HG2 GLU 89 -6.741 -20.709 8.676 696 HG3 GLU 89 HG3 GLU 89 -6.330 -19.104 8.083 697 H ARG 90 H ARG 90 -3.189 -22.857 9.053 698 HA ARG 90 HA ARG 90 -0.726 -22.774 7.580 699 HB2 ARG 90 HB2 ARG 90 0.403 -23.501 9.518 700 HB3 ARG 90 HB3 ARG 90 -0.933 -22.529 10.116 701 HG2 ARG 90 HG2 ARG 90 -2.175 -24.571 10.692 702 HG3 ARG 90 HG3 ARG 90 -0.860 -25.562 10.059 703 HD2 ARG 90 HD2 ARG 90 0.664 -24.544 11.780 704 HD3 ARG 90 HD3 ARG 90 -0.731 -23.692 12.452 705 HE ARG 90 HE ARG 90 -1.543 -25.682 13.320 706 HH11 ARG 90 HH11 ARG 90 1.343 -26.372 11.398 707 HH12 ARG 90 HH12 ARG 90 1.492 -27.988 12.009 708 HH21 ARG 90 HH21 ARG 90 -1.300 -27.781 14.111 709 HH22 ARG 90 HH22 ARG 90 0.006 -28.775 13.555 710 H ARG 91 H ARG 91 -3.087 -25.298 8.146 711 HA ARG 91 HA ARG 91 -1.533 -27.574 7.495 712 HB2 ARG 91 HB2 ARG 91 -3.822 -27.640 8.553 713 HB3 ARG 91 HB3 ARG 91 -4.515 -27.149 7.011 714 HG2 ARG 91 HG2 ARG 91 -3.331 -29.288 6.076 715 HG3 ARG 91 HG3 ARG 91 -3.239 -29.779 7.767 716 HD2 ARG 91 HD2 ARG 91 -5.767 -29.143 6.207 717 HD3 ARG 91 HD3 ARG 91 -5.189 -30.750 6.650 718 HE ARG 91 HE ARG 91 -5.526 -29.214 8.991 719 HH11 ARG 91 HH11 ARG 91 -7.436 -30.832 6.517 720 HH12 ARG 91 HH12 ARG 91 -8.818 -31.025 7.546 721 HH21 ARG 91 HH21 ARG 91 -7.368 -29.502 10.329 722 HH22 ARG 91 HH22 ARG 91 -8.786 -30.268 9.684 723 H PHE 92 H PHE 92 -3.479 -25.359 5.518 724 HA PHE 92 HA PHE 92 -2.919 -26.696 3.014 725 HB2 PHE 92 HB2 PHE 92 -4.339 -24.065 3.630 726 HB3 PHE 92 HB3 PHE 92 -4.285 -24.833 2.050 727 HD1 PHE 92 HD1 PHE 92 -5.380 -27.136 1.770 728 HD2 PHE 92 HD2 PHE 92 -5.996 -24.718 5.230 729 HE1 PHE 92 HE1 PHE 92 -7.362 -28.466 2.355 730 HE2 PHE 92 HE2 PHE 92 -7.979 -26.049 5.812 731 HZ PHE 92 HZ PHE 92 -8.661 -27.931 4.376 732 H ASP 93 H ASP 93 -1.911 -23.732 4.692 733 HA ASP 93 HA ASP 93 0.377 -23.385 2.860 734 HB2 ASP 93 HB2 ASP 93 -1.452 -21.100 3.740 735 HB3 ASP 93 HB3 ASP 93 -0.014 -20.947 2.739 736 H SER 94 H SER 94 1.696 -24.201 4.537 737 HA SER 94 HA SER 94 1.690 -23.204 7.235 738 HB2 SER 94 HB2 SER 94 2.443 -25.484 6.713 739 HB3 SER 94 HB3 SER 94 3.756 -24.859 5.719 740 HG SER 94 HG SER 94 4.844 -24.274 7.477 741 H ASP 95 H ASP 95 2.922 -21.968 4.369 742 HA ASP 95 HA ASP 95 5.160 -20.460 5.392 743 HB2 ASP 95 HB2 ASP 95 5.130 -19.436 3.121 744 HB3 ASP 95 HB3 ASP 95 5.128 -21.193 3.064 745 H LEU 96 H LEU 96 2.057 -20.096 6.235 746 HA LEU 96 HA LEU 96 1.643 -17.302 5.846 747 HB2 LEU 96 HB2 LEU 96 -0.291 -17.457 7.177 748 HB3 LEU 96 HB3 LEU 96 -0.213 -18.991 6.329 749 HG LEU 96 HG LEU 96 0.633 -18.580 9.215 750 HD11 LEU 96 HD11 LEU 96 -1.776 -18.224 8.983 751 HD12 LEU 96 HD12 LEU 96 -1.431 -19.706 9.872 752 HD13 LEU 96 HD13 LEU 96 -1.945 -19.790 8.182 753 HD21 LEU 96 HD21 LEU 96 1.788 -20.435 8.177 754 HD22 LEU 96 HD22 LEU 96 0.246 -21.144 7.691 755 HD23 LEU 96 HD23 LEU 96 0.648 -20.984 9.401 756 H TRP 97 H TRP 97 1.981 -15.611 7.248 757 HA TRP 97 HA TRP 97 3.793 -16.045 9.549 758 HB2 TRP 97 HB2 TRP 97 3.093 -13.498 8.022 759 HB3 TRP 97 HB3 TRP 97 4.210 -13.589 9.377 760 HD1 TRP 97 HD1 TRP 97 4.024 -15.623 6.029 761 HE1 TRP 97 HE1 TRP 97 6.345 -15.534 4.954 762 HE3 TRP 97 HE3 TRP 97 6.383 -12.688 9.455 763 HZ2 TRP 97 HZ2 TRP 97 8.857 -14.368 5.464 764 HZ3 TRP 97 HZ3 TRP 97 8.754 -12.112 9.096 765 HH2 TRP 97 HH2 TRP 97 9.967 -12.937 7.136 766 H VAL 98 H VAL 98 2.940 -15.834 11.551 767 HA VAL 98 HA VAL 98 0.226 -14.688 11.832 768 HB VAL 98 HB VAL 98 1.711 -16.530 13.761 769 HG11 VAL 98 HG11 VAL 98 -0.424 -16.616 15.040 770 HG12 VAL 98 HG12 VAL 98 -1.119 -15.411 13.954 771 HG13 VAL 98 HG13 VAL 98 0.237 -14.979 14.996 772 HG21 VAL 98 HG21 VAL 98 -0.682 -17.095 11.956 773 HG22 VAL 98 HG22 VAL 98 0.006 -18.224 13.126 774 HG23 VAL 98 HG23 VAL 98 0.957 -17.716 11.729 775 H VAL 99 H VAL 99 0.167 -12.684 12.488 776 HA VAL 99 HA VAL 99 2.367 -11.559 14.163 777 HB VAL 99 HB VAL 99 0.639 -9.828 12.355 778 HG11 VAL 99 HG11 VAL 99 3.455 -9.420 13.400 779 HG12 VAL 99 HG12 VAL 99 1.990 -8.652 14.015 780 HG13 VAL 99 HG13 VAL 99 2.562 -8.283 12.384 781 HG21 VAL 99 HG21 VAL 99 1.556 -11.559 10.858 782 HG22 VAL 99 HG22 VAL 99 3.186 -11.200 11.431 783 HG23 VAL 99 HG23 VAL 99 2.283 -9.983 10.525 784 H GLU 100 H GLU 100 1.564 -11.287 16.209 785 HA GLU 100 HA GLU 100 -1.272 -10.657 16.588 786 HB2 GLU 100 HB2 GLU 100 -0.785 -10.911 19.037 787 HB3 GLU 100 HB3 GLU 100 -0.498 -12.357 18.081 788 HG2 GLU 100 HG2 GLU 100 1.905 -12.020 18.194 789 HG3 GLU 100 HG3 GLU 100 1.687 -10.473 19.013 790 H ILE 101 H ILE 101 -1.776 -8.638 16.265 791 HA ILE 101 HA ILE 101 -0.106 -6.434 17.322 792 HB ILE 101 HB ILE 101 -1.357 -4.927 15.817 793 HG12 ILE 101 HG12 ILE 101 -2.824 -7.376 14.732 794 HG13 ILE 101 HG13 ILE 101 -3.545 -6.208 15.823 795 HG21 ILE 101 HG21 ILE 101 -0.300 -7.353 14.304 796 HG22 ILE 101 HG22 ILE 101 0.662 -6.004 14.905 797 HG23 ILE 101 HG23 ILE 101 -0.520 -5.735 13.629 798 HD11 ILE 101 HD11 ILE 101 -2.558 -5.652 13.037 799 HD12 ILE 101 HD12 ILE 101 -3.244 -4.454 14.138 800 HD13 ILE 101 HD13 ILE 101 -4.238 -5.791 13.559 801 H GLU 102 H GLU 102 -0.911 -5.206 19.017 802 HA GLU 102 HA GLU 102 -3.676 -5.735 19.929 803 HB2 GLU 102 HB2 GLU 102 -1.890 -6.173 21.615 804 HB3 GLU 102 HB3 GLU 102 -1.379 -4.487 21.506 805 HG2 GLU 102 HG2 GLU 102 -3.680 -3.801 22.264 806 HG3 GLU 102 HG3 GLU 102 -4.080 -5.504 22.465 807 H THR 103 H THR 103 -5.084 -4.280 19.372 808 HA THR 103 HA THR 103 -4.824 -1.495 19.801 809 HB THR 103 HB THR 103 -3.516 -1.451 17.731 810 HG1 THR 103 HG1 THR 103 -5.448 -0.346 16.401 811 HG21 THR 103 HG21 THR 103 -5.866 -2.805 16.355 812 HG22 THR 103 HG22 THR 103 -4.316 -3.568 16.717 813 HG23 THR 103 HG23 THR 103 -4.391 -2.227 15.575 814 H ASP 104 H ASP 104 -6.830 -0.344 19.111 815 HA ASP 104 HA ASP 104 -9.204 -2.065 19.354 816 HB2 ASP 104 HB2 ASP 104 -10.387 -0.049 20.026 817 HB3 ASP 104 HB3 ASP 104 -8.888 -0.136 20.934 818 H GLU 105 H GLU 105 -7.705 0.320 17.265 819 HA GLU 105 HA GLU 105 -9.825 0.132 15.220 820 HB2 GLU 105 HB2 GLU 105 -8.702 2.169 14.245 821 HB3 GLU 105 HB3 GLU 105 -9.317 2.414 15.871 822 HG2 GLU 105 HG2 GLU 105 -7.013 2.063 16.759 823 HG3 GLU 105 HG3 GLU 105 -6.426 1.937 15.101 824 H ILE 106 H ILE 106 -9.402 -0.737 13.216 825 HA ILE 106 HA ILE 106 -6.763 -2.022 12.840 826 HB ILE 106 HB ILE 106 -8.675 -3.584 12.972 827 HG12 ILE 106 HG12 ILE 106 -8.161 -4.892 10.900 828 HG13 ILE 106 HG13 ILE 106 -7.369 -3.480 10.218 829 HG21 ILE 106 HG21 ILE 106 -9.742 -2.243 10.471 830 HG22 ILE 106 HG22 ILE 106 -10.478 -2.202 12.073 831 HG23 ILE 106 HG23 ILE 106 -10.379 -3.727 11.189 832 HD11 ILE 106 HD11 ILE 106 -5.665 -3.583 11.943 833 HD12 ILE 106 HD12 ILE 106 -5.794 -5.119 11.095 834 HD13 ILE 106 HD13 ILE 106 -6.489 -4.946 12.705 835 H GLY 107 H GLY 107 -9.096 0.135 11.322 836 HA2 GLY 107 HA2 GLY 107 -8.365 -0.209 8.618 837 HA3 GLY 107 HA3 GLY 107 -9.235 1.164 9.283 838 H THR 108 H THR 108 -7.011 1.863 11.103 839 HA THR 108 HA THR 108 -5.663 3.663 9.303 840 HB THR 108 HB THR 108 -6.509 4.299 11.591 841 HG1 THR 108 HG1 THR 108 -5.137 5.863 11.335 842 HG21 THR 108 HG21 THR 108 -5.112 3.832 13.556 843 HG22 THR 108 HG22 THR 108 -4.046 2.816 12.586 844 HG23 THR 108 HG23 THR 108 -5.716 2.321 12.870 845 H LEU 109 H LEU 109 -4.896 0.558 10.585 846 HA LEU 109 HA LEU 109 -2.006 0.896 10.058 847 HB2 LEU 109 HB2 LEU 109 -1.663 -0.643 12.100 848 HB3 LEU 109 HB3 LEU 109 -2.051 1.036 12.388 849 HG LEU 109 HG LEU 109 -4.541 0.162 12.615 850 HD11 LEU 109 HD11 LEU 109 -3.060 -2.400 13.242 851 HD12 LEU 109 HD12 LEU 109 -4.140 -2.132 11.868 852 HD13 LEU 109 HD13 LEU 109 -4.777 -2.083 13.511 853 HD21 LEU 109 HD21 LEU 109 -3.273 1.197 14.442 854 HD22 LEU 109 HD22 LEU 109 -2.518 -0.352 14.817 855 HD23 LEU 109 HD23 LEU 109 -4.258 -0.143 15.026 856 H LEU 110 H LEU 110 -4.672 -0.696 9.080 857 HA LEU 110 HA LEU 110 -3.174 -2.496 7.454 858 HB2 LEU 110 HB2 LEU 110 -3.252 -3.932 9.454 859 HB3 LEU 110 HB3 LEU 110 -4.985 -3.699 9.591 860 HG LEU 110 HG LEU 110 -5.340 -4.964 7.499 861 HD11 LEU 110 HD11 LEU 110 -3.524 -6.197 6.418 862 HD12 LEU 110 HD12 LEU 110 -2.353 -5.395 7.467 863 HD13 LEU 110 HD13 LEU 110 -3.296 -4.452 6.312 864 HD21 LEU 110 HD21 LEU 110 -3.667 -6.502 9.514 865 HD22 LEU 110 HD22 LEU 110 -4.784 -7.205 8.339 866 HD23 LEU 110 HD23 LEU 110 -5.399 -6.180 9.631 867 H THR 111 H THR 111 -4.250 -2.756 5.581 868 HA THR 111 HA THR 111 -6.868 -1.519 5.240 869 HB THR 111 HB THR 111 -5.065 -2.685 3.068 870 HG1 THR 111 HG1 THR 111 -5.196 -0.003 4.030 871 HG21 THR 111 HG21 THR 111 -7.418 -2.273 2.408 872 HG22 THR 111 HG22 THR 111 -6.322 -1.148 1.594 873 HG23 THR 111 HG23 THR 111 -7.285 -0.605 2.975 874 H LEU 112 H LEU 112 -8.705 -2.611 4.769 875 HA LEU 112 HA LEU 112 -8.655 -5.497 4.168 876 HB2 LEU 112 HB2 LEU 112 -10.538 -4.209 6.188 877 HB3 LEU 112 HB3 LEU 112 -10.473 -5.911 5.755 878 HG LEU 112 HG LEU 112 -8.133 -4.492 7.067 879 HD11 LEU 112 HD11 LEU 112 -8.852 -5.413 9.190 880 HD12 LEU 112 HD12 LEU 112 -10.350 -5.972 8.444 881 HD13 LEU 112 HD13 LEU 112 -9.998 -4.243 8.540 882 HD21 LEU 112 HD21 LEU 112 -7.394 -6.745 7.667 883 HD22 LEU 112 HD22 LEU 112 -7.564 -6.576 5.922 884 HD23 LEU 112 HD23 LEU 112 -8.798 -7.436 6.846 885 H VAL 113 H VAL 113 -10.487 -6.241 3.056 886 HA VAL 113 HA VAL 113 -12.137 -4.268 1.638 887 HB VAL 113 HB VAL 113 -12.798 -6.176 0.172 888 HG11 VAL 113 HG11 VAL 113 -10.834 -4.841 -0.466 889 HG12 VAL 113 HG12 VAL 113 -10.619 -6.524 -0.950 890 HG13 VAL 113 HG13 VAL 113 -9.783 -5.903 0.476 891 HG21 VAL 113 HG21 VAL 113 -11.680 -8.388 0.375 892 HG22 VAL 113 HG22 VAL 113 -12.647 -8.027 1.807 893 HG23 VAL 113 HG23 VAL 113 -10.891 -7.853 1.862 894 H ASP 114 H ASP 114 -12.240 -6.378 4.308 895 HA ASP 114 HA ASP 114 -15.051 -7.123 4.124 896 HB2 ASP 114 HB2 ASP 114 -13.351 -8.764 4.914 897 HB3 ASP 114 HB3 ASP 114 -12.986 -7.723 6.285 898 H GLN 115 H GLN 115 -13.046 -5.578 6.708 899 HA GLN 115 HA GLN 115 -15.233 -4.649 8.220 900 HB2 GLN 115 HB2 GLN 115 -12.331 -3.726 8.201 901 HB3 GLN 115 HB3 GLN 115 -13.513 -3.127 9.360 902 HG2 GLN 115 HG2 GLN 115 -12.625 -6.010 9.059 903 HG3 GLN 115 HG3 GLN 115 -12.101 -4.895 10.314 904 HE21 GLN 115 HE21 GLN 115 -14.689 -6.908 9.166 905 HE22 GLN 115 HE22 GLN 115 -15.640 -6.853 10.606 906 HA PRO 116 HA PRO 116 -16.470 -1.035 5.790 907 HB2 PRO 116 HB2 PRO 116 -18.095 0.146 7.692 908 HB3 PRO 116 HB3 PRO 116 -18.598 -1.215 6.683 909 HG2 PRO 116 HG2 PRO 116 -17.583 -1.231 9.519 910 HG3 PRO 116 HG3 PRO 116 -18.930 -2.145 8.807 911 HD2 PRO 116 HD2 PRO 116 -16.500 -3.270 9.246 912 HD3 PRO 116 HD3 PRO 116 -17.510 -3.754 7.869 913 H GLN 117 H GLN 117 -15.051 0.539 5.453 914 HA GLN 117 HA GLN 117 -13.246 1.539 7.467 915 HB2 GLN 117 HB2 GLN 117 -13.660 2.414 4.575 916 HB3 GLN 117 HB3 GLN 117 -12.297 2.871 5.596 917 HG2 GLN 117 HG2 GLN 117 -11.576 0.513 5.701 918 HG3 GLN 117 HG3 GLN 117 -12.957 0.041 4.713 919 HE21 GLN 117 HE21 GLN 117 -9.869 1.653 4.731 920 HE22 GLN 117 HE22 GLN 117 -9.636 1.676 3.022 921 H ALA 118 H ALA 118 -16.181 2.641 5.927 922 HA ALA 118 HA ALA 118 -16.360 4.943 7.772 923 HB1 ALA 118 HB1 ALA 118 -17.318 6.348 5.982 924 HB2 ALA 118 HB2 ALA 118 -17.069 5.053 4.809 925 HB3 ALA 118 HB3 ALA 118 -15.680 5.838 5.563 Start of MODEL 3 1 H MET 1 H MET 1 2.241 -0.077 1.065 2 HA MET 1 HA MET 1 2.520 1.154 -1.610 3 HB2 MET 1 HB2 MET 1 4.228 2.036 -0.013 4 HB3 MET 1 HB3 MET 1 4.697 0.395 0.405 5 HG2 MET 1 HG2 MET 1 5.526 0.036 -1.874 6 HG3 MET 1 HG3 MET 1 5.009 1.658 -2.333 7 HE1 MET 1 HE1 MET 1 6.150 3.892 -1.412 8 HE2 MET 1 HE2 MET 1 7.492 3.911 -0.265 9 HE3 MET 1 HE3 MET 1 5.887 3.403 0.261 10 H ARG 2 H ARG 2 3.310 -0.311 -3.206 11 HA ARG 2 HA ARG 2 2.832 -3.127 -2.881 12 HB2 ARG 2 HB2 ARG 2 4.361 -1.765 -5.135 13 HB3 ARG 2 HB3 ARG 2 3.579 -3.343 -5.183 14 HG2 ARG 2 HG2 ARG 2 1.371 -2.241 -5.025 15 HG3 ARG 2 HG3 ARG 2 2.168 -0.665 -4.971 16 HD2 ARG 2 HD2 ARG 2 2.211 -2.650 -7.273 17 HD3 ARG 2 HD3 ARG 2 1.390 -1.082 -7.235 18 HE ARG 2 HE ARG 2 4.069 -0.567 -6.743 19 HH11 ARG 2 HH11 ARG 2 2.205 -1.897 -9.412 20 HH12 ARG 2 HH12 ARG 2 3.345 -1.378 -10.609 21 HH21 ARG 2 HH21 ARG 2 5.563 0.064 -8.318 22 HH22 ARG 2 HH22 ARG 2 5.261 -0.293 -9.991 23 H LEU 3 H LEU 3 4.211 -4.455 -1.884 24 HA LEU 3 HA LEU 3 7.060 -4.446 -2.284 25 HB2 LEU 3 HB2 LEU 3 7.307 -4.361 0.411 26 HB3 LEU 3 HB3 LEU 3 7.418 -2.920 -0.581 27 HG LEU 3 HG LEU 3 5.019 -2.401 -0.045 28 HD11 LEU 3 HD11 LEU 3 4.192 -4.631 0.431 29 HD12 LEU 3 HD12 LEU 3 3.900 -3.556 1.795 30 HD13 LEU 3 HD13 LEU 3 5.216 -4.730 1.867 31 HD21 LEU 3 HD21 LEU 3 6.851 -1.364 1.258 32 HD22 LEU 3 HD22 LEU 3 6.759 -2.688 2.421 33 HD23 LEU 3 HD23 LEU 3 5.392 -1.595 2.219 34 H LYS 4 H LYS 4 7.954 -6.108 -0.427 35 HA LYS 4 HA LYS 4 6.800 -8.646 -0.973 36 HB2 LYS 4 HB2 LYS 4 8.852 -7.792 1.108 37 HB3 LYS 4 HB3 LYS 4 8.384 -9.463 0.832 38 HG2 LYS 4 HG2 LYS 4 9.237 -9.268 -1.516 39 HG3 LYS 4 HG3 LYS 4 9.840 -7.652 -1.111 40 HD2 LYS 4 HD2 LYS 4 11.262 -8.589 0.657 41 HD3 LYS 4 HD3 LYS 4 10.601 -10.201 0.373 42 HE2 LYS 4 HE2 LYS 4 11.626 -10.239 -1.861 43 HE3 LYS 4 HE3 LYS 4 12.255 -8.607 -1.611 44 HZ1 LYS 4 HZ1 LYS 4 12.959 -10.983 0.033 45 HZ2 LYS 4 HZ2 LYS 4 13.596 -9.428 0.210 46 HZ3 LYS 4 HZ3 LYS 4 13.925 -10.323 -1.186 47 H SER 5 H SER 5 5.885 -10.163 0.527 48 HA SER 5 HA SER 5 4.044 -9.488 2.503 49 HB2 SER 5 HB2 SER 5 5.778 -12.000 2.546 50 HB3 SER 5 HB3 SER 5 4.115 -11.832 3.098 51 HG SER 5 HG SER 5 3.888 -12.722 1.154 52 H GLU 6 H GLU 6 7.412 -10.365 2.717 53 HA GLU 6 HA GLU 6 7.972 -10.275 5.423 54 HB2 GLU 6 HB2 GLU 6 9.480 -11.275 3.804 55 HB3 GLU 6 HB3 GLU 6 9.642 -9.761 2.920 56 HG2 GLU 6 HG2 GLU 6 11.687 -10.108 4.074 57 HG3 GLU 6 HG3 GLU 6 10.854 -8.795 4.893 58 H MET 7 H MET 7 8.198 -7.638 3.007 59 HA MET 7 HA MET 7 9.122 -5.736 4.962 60 HB2 MET 7 HB2 MET 7 9.797 -5.601 2.560 61 HB3 MET 7 HB3 MET 7 8.135 -5.208 2.126 62 HG2 MET 7 HG2 MET 7 9.596 -3.213 2.254 63 HG3 MET 7 HG3 MET 7 8.248 -3.139 3.391 64 HE1 MET 7 HE1 MET 7 8.766 -1.908 5.506 65 HE2 MET 7 HE2 MET 7 9.886 -1.048 4.443 66 HE3 MET 7 HE3 MET 7 10.410 -1.570 6.044 67 H PHE 8 H PHE 8 6.002 -6.803 3.784 68 HA PHE 8 HA PHE 8 4.517 -4.440 4.491 69 HB2 PHE 8 HB2 PHE 8 3.741 -6.169 2.773 70 HB3 PHE 8 HB3 PHE 8 3.384 -7.256 4.101 71 HD1 PHE 8 HD2 PHE 8 1.547 -6.600 5.780 72 HD2 PHE 8 HD1 PHE 8 2.222 -4.385 2.182 73 HE1 PHE 8 HE2 PHE 8 -0.637 -5.497 6.029 74 HE2 PHE 8 HE1 PHE 8 0.037 -3.296 2.451 75 HZ PHE 8 HZ PHE 8 -1.395 -3.846 4.372 76 H VAL 9 H VAL 9 5.054 -7.635 5.972 77 HA VAL 9 HA VAL 9 3.417 -7.275 8.242 78 HB VAL 9 HB VAL 9 4.641 -9.197 9.250 79 HG11 VAL 9 HG11 VAL 9 2.778 -9.656 7.749 80 HG12 VAL 9 HG12 VAL 9 4.014 -10.903 7.585 81 HG13 VAL 9 HG13 VAL 9 3.867 -9.642 6.360 82 HG21 VAL 9 HG21 VAL 9 6.419 -9.122 6.810 83 HG22 VAL 9 HG22 VAL 9 6.416 -10.371 8.058 84 HG23 VAL 9 HG23 VAL 9 6.908 -8.728 8.460 85 H SER 10 H SER 10 6.848 -6.644 7.655 86 HA SER 10 HA SER 10 7.587 -5.840 10.259 87 HB2 SER 10 HB2 SER 10 9.187 -6.392 8.385 88 HB3 SER 10 HB3 SER 10 8.762 -4.866 7.616 89 HG SER 10 HG SER 10 9.906 -5.159 10.204 90 H ALA 11 H ALA 11 6.554 -3.957 7.409 91 HA ALA 11 HA ALA 11 6.595 -1.385 8.534 92 HB1 ALA 11 HB1 ALA 11 6.511 -1.812 6.109 93 HB2 ALA 11 HB2 ALA 11 5.216 -0.723 6.607 94 HB3 ALA 11 HB3 ALA 11 4.859 -2.416 6.265 95 H LEU 12 H LEU 12 4.159 -3.892 8.595 96 HA LEU 12 HA LEU 12 1.882 -2.402 9.367 97 HB2 LEU 12 HB2 LEU 12 2.113 -4.807 8.364 98 HB3 LEU 12 HB3 LEU 12 2.306 -5.332 10.022 99 HG LEU 12 HG LEU 12 -0.172 -3.888 8.975 100 HD11 LEU 12 HD11 LEU 12 0.244 -6.867 9.361 101 HD12 LEU 12 HD12 LEU 12 0.097 -6.027 7.815 102 HD13 LEU 12 HD13 LEU 12 -1.274 -6.078 8.918 103 HD21 LEU 12 HD21 LEU 12 -1.293 -4.725 11.001 104 HD22 LEU 12 HD22 LEU 12 0.072 -3.692 11.417 105 HD23 LEU 12 HD23 LEU 12 0.223 -5.444 11.555 106 H ILE 13 H ILE 13 4.340 -4.148 11.127 107 HA ILE 13 HA ILE 13 3.350 -3.946 13.745 108 HB ILE 13 HB ILE 13 6.168 -4.231 12.625 109 HG12 ILE 13 HG12 ILE 13 4.347 -6.316 13.927 110 HG13 ILE 13 HG13 ILE 13 4.443 -6.056 12.193 111 HG21 ILE 13 HG21 ILE 13 6.410 -3.303 14.880 112 HG22 ILE 13 HG22 ILE 13 6.920 -4.990 14.856 113 HG23 ILE 13 HG23 ILE 13 5.350 -4.555 15.536 114 HD11 ILE 13 HD11 ILE 13 5.708 -7.966 12.893 115 HD12 ILE 13 HD12 ILE 13 6.690 -6.963 13.963 116 HD13 ILE 13 HD13 ILE 13 6.762 -6.726 12.212 117 H ARG 14 H ARG 14 5.471 -1.761 11.882 118 HA ARG 14 HA ARG 14 5.836 0.070 14.080 119 HB2 ARG 14 HB2 ARG 14 6.545 0.295 11.140 120 HB3 ARG 14 HB3 ARG 14 6.818 1.609 12.273 121 HG2 ARG 14 HG2 ARG 14 8.902 0.435 12.006 122 HG3 ARG 14 HG3 ARG 14 8.298 0.071 13.623 123 HD2 ARG 14 HD2 ARG 14 7.459 -2.103 12.818 124 HD3 ARG 14 HD3 ARG 14 8.034 -1.722 11.195 125 HE ARG 14 HE ARG 14 10.269 -1.557 12.771 126 HH11 ARG 14 HH11 ARG 14 7.893 -4.072 12.156 127 HH12 ARG 14 HH12 ARG 14 9.021 -5.367 12.389 128 HH21 ARG 14 HH21 ARG 14 11.761 -3.300 13.030 129 HH22 ARG 14 HH22 ARG 14 11.200 -4.937 12.883 130 H ARG 15 H ARG 15 3.439 -0.277 11.529 131 HA ARG 15 HA ARG 15 2.209 2.273 11.666 132 HB2 ARG 15 HB2 ARG 15 0.904 -0.440 11.146 133 HB3 ARG 15 HB3 ARG 15 0.087 1.104 10.934 134 HG2 ARG 15 HG2 ARG 15 1.754 1.695 9.173 135 HG3 ARG 15 HG3 ARG 15 2.469 0.097 9.356 136 HD2 ARG 15 HD2 ARG 15 0.985 0.075 7.435 137 HD3 ARG 15 HD3 ARG 15 0.271 -0.927 8.704 138 HE ARG 15 HE ARG 15 -0.989 1.310 9.217 139 HH11 ARG 15 HH11 ARG 15 -0.282 0.084 5.995 140 HH12 ARG 15 HH12 ARG 15 -1.721 0.764 5.298 141 HH21 ARG 15 HH21 ARG 15 -2.860 2.166 8.304 142 HH22 ARG 15 HH22 ARG 15 -3.188 1.943 6.614 143 H VAL 16 H VAL 16 1.725 -0.703 13.589 144 HA VAL 16 HA VAL 16 -0.448 0.388 15.113 145 HB VAL 16 HB VAL 16 -0.547 -1.632 16.370 146 HG11 VAL 16 HG11 VAL 16 -1.301 -1.925 14.066 147 HG12 VAL 16 HG12 VAL 16 -0.589 -3.423 14.659 148 HG13 VAL 16 HG13 VAL 16 0.322 -2.388 13.556 149 HG21 VAL 16 HG21 VAL 16 1.168 -3.361 16.422 150 HG22 VAL 16 HG22 VAL 16 1.824 -1.829 16.996 151 HG23 VAL 16 HG23 VAL 16 2.204 -2.396 15.371 152 H PHE 17 H PHE 17 3.055 -0.003 15.706 153 HA PHE 17 HA PHE 17 3.023 0.978 18.390 154 HB2 PHE 17 HB2 PHE 17 5.250 0.593 16.367 155 HB3 PHE 17 HB3 PHE 17 5.568 1.442 17.873 156 HD1 PHE 17 HD2 PHE 17 5.351 0.242 20.068 157 HD2 PHE 17 HD1 PHE 17 5.017 -1.841 16.357 158 HE1 PHE 17 HE2 PHE 17 5.684 -1.903 21.230 159 HE2 PHE 17 HE1 PHE 17 5.340 -3.979 17.526 160 HZ PHE 17 HZ PHE 17 5.674 -4.015 19.964 161 H ALA 18 H ALA 18 3.132 2.554 15.250 162 HA ALA 18 HA ALA 18 3.641 5.217 16.163 163 HB1 ALA 18 HB1 ALA 18 2.217 4.289 13.641 164 HB2 ALA 18 HB2 ALA 18 3.951 4.559 13.810 165 HB3 ALA 18 HB3 ALA 18 2.834 5.919 13.937 166 H ALA 19 H ALA 19 0.827 3.186 16.205 167 HA ALA 19 HA ALA 19 -1.017 5.385 16.872 168 HB1 ALA 19 HB1 ALA 19 -2.775 3.665 16.790 169 HB2 ALA 19 HB2 ALA 19 -1.552 2.413 16.545 170 HB3 ALA 19 HB3 ALA 19 -1.803 3.652 15.318 171 H GLY 20 H GLY 20 0.916 2.962 18.446 172 HA2 GLY 20 HA2 GLY 20 1.425 3.222 20.797 173 HA3 GLY 20 HA3 GLY 20 -0.245 3.680 21.091 174 H GLY 21 H GLY 21 -0.322 1.141 18.963 175 HA2 GLY 21 HA2 GLY 21 -0.936 -0.859 20.979 176 HA3 GLY 21 HA3 GLY 21 -1.172 -1.001 19.246 177 H PHE 22 H PHE 22 -0.313 -3.204 19.931 178 HA PHE 22 HA PHE 22 2.661 -3.363 19.928 179 HB2 PHE 22 HB2 PHE 22 1.771 -4.159 22.079 180 HB3 PHE 22 HB3 PHE 22 0.615 -5.206 21.265 181 HD1 PHE 22 HD1 PHE 22 4.310 -4.644 21.654 182 HD2 PHE 22 HD2 PHE 22 1.202 -7.481 20.876 183 HE1 PHE 22 HE1 PHE 22 5.955 -6.469 21.692 184 HE2 PHE 22 HE2 PHE 22 2.859 -9.303 20.922 185 HZ PHE 22 HZ PHE 22 5.237 -8.797 21.330 186 H ALA 23 H ALA 23 3.578 -5.155 18.699 187 HA ALA 23 HA ALA 23 1.918 -6.998 17.246 188 HB1 ALA 23 HB1 ALA 23 3.463 -4.943 15.648 189 HB2 ALA 23 HB2 ALA 23 1.708 -5.084 15.745 190 HB3 ALA 23 HB3 ALA 23 2.652 -6.363 14.980 191 H ALA 24 H ALA 24 3.129 -8.653 16.107 192 HA ALA 24 HA ALA 24 5.990 -8.759 16.086 193 HB1 ALA 24 HB1 ALA 24 4.594 -10.533 18.133 194 HB2 ALA 24 HB2 ALA 24 5.646 -9.164 18.501 195 HB3 ALA 24 HB3 ALA 24 6.308 -10.593 17.706 196 H VAL 25 H VAL 25 6.618 -10.154 14.487 197 HA VAL 25 HA VAL 25 4.706 -11.735 13.023 198 HB VAL 25 HB VAL 25 7.748 -11.688 12.687 199 HG11 VAL 25 HG11 VAL 25 7.321 -12.549 10.405 200 HG12 VAL 25 HG12 VAL 25 5.593 -12.647 10.757 201 HG13 VAL 25 HG13 VAL 25 6.733 -13.668 11.635 202 HG21 VAL 25 HG21 VAL 25 6.825 -9.437 12.383 203 HG22 VAL 25 HG22 VAL 25 5.646 -10.047 11.220 204 HG23 VAL 25 HG23 VAL 25 7.370 -10.092 10.840 205 H GLU 26 H GLU 26 3.955 -13.458 14.142 206 HA GLU 26 HA GLU 26 5.519 -15.266 15.704 207 HB2 GLU 26 HB2 GLU 26 2.724 -15.636 14.544 208 HB3 GLU 26 HB3 GLU 26 3.444 -16.587 15.844 209 HG2 GLU 26 HG2 GLU 26 2.691 -13.650 15.933 210 HG3 GLU 26 HG3 GLU 26 1.870 -14.978 16.751 211 H LYS 27 H LYS 27 3.797 -15.681 12.574 212 HA LYS 27 HA LYS 27 5.577 -17.964 11.897 213 HB2 LYS 27 HB2 LYS 27 3.145 -18.520 12.095 214 HB3 LYS 27 HB3 LYS 27 2.779 -17.334 10.846 215 HG2 LYS 27 HG2 LYS 27 4.053 -18.652 9.200 216 HG3 LYS 27 HG3 LYS 27 4.466 -19.825 10.452 217 HD2 LYS 27 HD2 LYS 27 2.032 -20.347 10.719 218 HD3 LYS 27 HD3 LYS 27 1.666 -19.225 9.405 219 HE2 LYS 27 HE2 LYS 27 3.324 -21.758 9.179 220 HE3 LYS 27 HE3 LYS 27 1.681 -21.523 8.585 221 HZ1 LYS 27 HZ1 LYS 27 4.101 -20.088 7.638 222 HZ2 LYS 27 HZ2 LYS 27 2.528 -19.801 7.090 223 HZ3 LYS 27 HZ3 LYS 27 3.265 -21.298 6.804 224 H LYS 28 H LYS 28 6.440 -18.088 9.801 225 HA LYS 28 HA LYS 28 6.379 -15.672 8.106 226 HB2 LYS 28 HB2 LYS 28 8.333 -15.328 9.428 227 HB3 LYS 28 HB3 LYS 28 8.804 -17.021 9.336 228 HG2 LYS 28 HG2 LYS 28 9.513 -16.804 7.059 229 HG3 LYS 28 HG3 LYS 28 8.769 -15.213 6.908 230 HD2 LYS 28 HD2 LYS 28 10.411 -14.278 8.491 231 HD3 LYS 28 HD3 LYS 28 11.143 -15.876 8.691 232 HE2 LYS 28 HE2 LYS 28 11.883 -15.886 6.378 233 HE3 LYS 28 HE3 LYS 28 10.979 -14.411 6.031 234 HZ1 LYS 28 HZ1 LYS 28 12.427 -13.150 7.355 235 HZ2 LYS 28 HZ2 LYS 28 13.416 -14.133 6.388 236 HZ3 LYS 28 HZ3 LYS 28 13.167 -14.525 8.013 237 H GLY 29 H GLY 29 5.933 -16.235 6.063 238 HA2 GLY 29 HA2 GLY 29 6.672 -18.933 5.066 239 HA3 GLY 29 HA3 GLY 29 5.286 -17.998 4.525 240 H ALA 30 H ALA 30 5.690 -17.607 2.406 241 HA ALA 30 HA ALA 30 8.315 -17.239 1.300 242 HB1 ALA 30 HB1 ALA 30 7.129 -16.874 -0.842 243 HB2 ALA 30 HB2 ALA 30 5.586 -16.806 0.017 244 HB3 ALA 30 HB3 ALA 30 6.519 -18.302 -0.006 245 H GLU 31 H GLU 31 9.380 -15.371 0.824 246 HA GLU 31 HA GLU 31 8.906 -13.126 2.398 247 HB2 GLU 31 HB2 GLU 31 10.677 -13.433 -0.039 248 HB3 GLU 31 HB3 GLU 31 10.685 -12.000 0.987 249 HG2 GLU 31 HG2 GLU 31 11.364 -13.421 2.910 250 HG3 GLU 31 HG3 GLU 31 11.440 -14.812 1.822 251 H ALA 32 H ALA 32 8.366 -13.427 -1.151 252 HA ALA 32 HA ALA 32 7.362 -10.670 -1.216 253 HB1 ALA 32 HB1 ALA 32 8.004 -12.530 -3.514 254 HB2 ALA 32 HB2 ALA 32 9.068 -11.288 -2.844 255 HB3 ALA 32 HB3 ALA 32 7.567 -10.823 -3.646 256 H ALA 33 H ALA 33 6.219 -13.940 -2.087 257 HA ALA 33 HA ALA 33 3.608 -12.832 -2.939 258 HB1 ALA 33 HB1 ALA 33 3.353 -14.885 -4.243 259 HB2 ALA 33 HB2 ALA 33 4.860 -15.523 -3.577 260 HB3 ALA 33 HB3 ALA 33 4.888 -14.101 -4.619 261 H GLY 34 H GLY 34 4.793 -14.069 -0.165 262 HA2 GLY 34 HA2 GLY 34 3.074 -16.229 0.505 263 HA3 GLY 34 HA3 GLY 34 4.006 -15.252 1.631 264 H ALA 35 H ALA 35 1.176 -16.351 1.659 265 HA ALA 35 HA ALA 35 -0.661 -14.154 1.724 266 HB1 ALA 35 HB1 ALA 35 -0.779 -16.871 3.090 267 HB2 ALA 35 HB2 ALA 35 -1.435 -16.473 1.503 268 HB3 ALA 35 HB3 ALA 35 -2.134 -15.748 2.952 269 H ILE 36 H ILE 36 -1.628 -13.205 3.733 270 HA ILE 36 HA ILE 36 0.162 -13.254 6.101 271 HB ILE 36 HB ILE 36 -1.342 -10.724 5.309 272 HG12 ILE 36 HG12 ILE 36 0.248 -11.229 3.438 273 HG13 ILE 36 HG13 ILE 36 0.655 -9.753 4.305 274 HG21 ILE 36 HG21 ILE 36 1.036 -11.186 7.157 275 HG22 ILE 36 HG22 ILE 36 -0.632 -10.899 7.653 276 HG23 ILE 36 HG23 ILE 36 0.273 -9.624 6.838 277 HD11 ILE 36 HD11 ILE 36 2.422 -10.973 5.504 278 HD12 ILE 36 HD12 ILE 36 2.634 -10.992 3.761 279 HD13 ILE 36 HD13 ILE 36 2.029 -12.427 4.582 280 H PHE 37 H PHE 37 -0.882 -13.478 8.010 281 HA PHE 37 HA PHE 37 -3.766 -12.966 8.259 282 HB2 PHE 37 HB2 PHE 37 -2.286 -15.486 9.104 283 HB3 PHE 37 HB3 PHE 37 -3.788 -15.003 9.887 284 HD1 PHE 37 HD2 PHE 37 -5.921 -14.997 8.636 285 HD2 PHE 37 HD1 PHE 37 -2.303 -16.376 6.828 286 HE1 PHE 37 HE2 PHE 37 -7.217 -16.052 6.833 287 HE2 PHE 37 HE1 PHE 37 -3.605 -17.417 5.027 288 HZ PHE 37 HZ PHE 37 -6.064 -17.261 5.025 289 H VAL 38 H VAL 38 -3.948 -11.381 9.648 290 HA VAL 38 HA VAL 38 -2.035 -11.060 11.884 291 HB VAL 38 HB VAL 38 -3.672 -8.954 10.378 292 HG11 VAL 38 HG11 VAL 38 -1.698 -8.554 12.660 293 HG12 VAL 38 HG12 VAL 38 -3.447 -8.333 12.752 294 HG13 VAL 38 HG13 VAL 38 -2.480 -7.268 11.733 295 HG21 VAL 38 HG21 VAL 38 -1.726 -9.812 9.104 296 HG22 VAL 38 HG22 VAL 38 -0.659 -9.404 10.454 297 HG23 VAL 38 HG23 VAL 38 -1.504 -8.128 9.575 298 H ARG 39 H ARG 39 -2.884 -11.182 13.935 299 HA ARG 39 HA ARG 39 -5.840 -11.220 14.201 300 HB2 ARG 39 HB2 ARG 39 -5.660 -12.685 16.064 301 HB3 ARG 39 HB3 ARG 39 -4.506 -13.319 14.903 302 HG2 ARG 39 HG2 ARG 39 -2.651 -12.366 16.175 303 HG3 ARG 39 HG3 ARG 39 -3.778 -11.596 17.288 304 HD2 ARG 39 HD2 ARG 39 -3.052 -13.499 18.461 305 HD3 ARG 39 HD3 ARG 39 -4.614 -13.990 17.811 306 HE ARG 39 HE ARG 39 -3.479 -15.313 16.161 307 HH11 ARG 39 HH11 ARG 39 -1.363 -14.058 18.671 308 HH12 ARG 39 HH12 ARG 39 -0.142 -15.262 18.424 309 HH21 ARG 39 HH21 ARG 39 -1.860 -16.917 15.861 310 HH22 ARG 39 HH22 ARG 39 -0.428 -16.883 16.840 311 H GLN 40 H GLN 40 -6.764 -9.527 15.238 312 HA GLN 40 HA GLN 40 -5.056 -7.582 16.660 313 HB2 GLN 40 HB2 GLN 40 -6.523 -6.651 14.909 314 HB3 GLN 40 HB3 GLN 40 -7.938 -7.333 15.709 315 HG2 GLN 40 HG2 GLN 40 -7.270 -5.913 17.745 316 HG3 GLN 40 HG3 GLN 40 -6.158 -5.083 16.662 317 HE21 GLN 40 HE21 GLN 40 -8.394 -4.036 18.117 318 HE22 GLN 40 HE22 GLN 40 -9.478 -3.349 16.955 319 H ARG 41 H ARG 41 -4.933 -7.820 18.812 320 HA ARG 41 HA ARG 41 -7.000 -9.266 20.271 321 HB2 ARG 41 HB2 ARG 41 -4.472 -9.621 20.571 322 HB3 ARG 41 HB3 ARG 41 -4.459 -8.069 21.408 323 HG2 ARG 41 HG2 ARG 41 -5.846 -8.898 23.173 324 HG3 ARG 41 HG3 ARG 41 -6.290 -10.331 22.251 325 HD2 ARG 41 HD2 ARG 41 -3.803 -10.996 22.398 326 HD3 ARG 41 HD3 ARG 41 -3.665 -9.737 23.637 327 HE ARG 41 HE ARG 41 -5.801 -11.692 23.992 328 HH11 ARG 41 HH11 ARG 41 -2.538 -10.771 24.938 329 HH12 ARG 41 HH12 ARG 41 -2.526 -11.842 26.302 330 HH21 ARG 41 HH21 ARG 41 -5.751 -13.070 25.777 331 HH22 ARG 41 HH22 ARG 41 -4.335 -13.126 26.782 332 H LEU 42 H LEU 42 -8.690 -8.151 20.917 333 HA LEU 42 HA LEU 42 -8.792 -5.346 21.500 334 HB2 LEU 42 HB2 LEU 42 -10.819 -7.518 22.199 335 HB3 LEU 42 HB3 LEU 42 -11.108 -5.790 22.265 336 HG LEU 42 HG LEU 42 -12.196 -6.367 20.305 337 HD11 LEU 42 HD11 LEU 42 -10.972 -5.506 18.408 338 HD12 LEU 42 HD12 LEU 42 -9.439 -5.706 19.256 339 HD13 LEU 42 HD13 LEU 42 -10.630 -4.541 19.843 340 HD21 LEU 42 HD21 LEU 42 -11.552 -8.724 20.218 341 HD22 LEU 42 HD22 LEU 42 -9.980 -8.292 19.539 342 HD23 LEU 42 HD23 LEU 42 -11.458 -7.980 18.625 343 H ARG 43 H ARG 43 -9.309 -4.388 23.557 344 HA ARG 43 HA ARG 43 -7.937 -5.393 25.837 345 HB2 ARG 43 HB2 ARG 43 -9.136 -3.488 27.080 346 HB3 ARG 43 HB3 ARG 43 -8.078 -3.043 25.759 347 HG2 ARG 43 HG2 ARG 43 -10.019 -1.629 25.687 348 HG3 ARG 43 HG3 ARG 43 -10.070 -2.708 24.301 349 HD2 ARG 43 HD2 ARG 43 -12.299 -2.329 25.403 350 HD3 ARG 43 HD3 ARG 43 -11.829 -4.028 25.291 351 HE ARG 43 HE ARG 43 -11.055 -2.893 27.796 352 HH11 ARG 43 HH11 ARG 43 -13.892 -4.155 26.130 353 HH12 ARG 43 HH12 ARG 43 -14.684 -4.611 27.601 354 HH21 ARG 43 HH21 ARG 43 -12.095 -3.558 29.694 355 HH22 ARG 43 HH22 ARG 43 -13.667 -4.288 29.612 356 H ASP 44 H ASP 44 -10.994 -6.092 24.598 357 HA ASP 44 HA ASP 44 -12.468 -6.875 26.875 358 HB2 ASP 44 HB2 ASP 44 -12.605 -7.915 24.001 359 HB3 ASP 44 HB3 ASP 44 -13.830 -8.196 25.240 360 H GLY 45 H GLY 45 -9.662 -8.263 25.486 361 HA2 GLY 45 HA2 GLY 45 -8.526 -10.229 25.984 362 HA3 GLY 45 HA3 GLY 45 -9.885 -10.766 26.964 363 H ARG 46 H ARG 46 -10.117 -9.576 23.712 364 HA ARG 46 HA ARG 46 -10.753 -12.258 22.636 365 HB2 ARG 46 HB2 ARG 46 -12.201 -9.619 22.141 366 HB3 ARG 46 HB3 ARG 46 -12.422 -11.043 21.132 367 HG2 ARG 46 HG2 ARG 46 -13.135 -10.781 24.074 368 HG3 ARG 46 HG3 ARG 46 -14.254 -10.877 22.709 369 HD2 ARG 46 HD2 ARG 46 -13.146 -13.172 22.220 370 HD3 ARG 46 HD3 ARG 46 -12.482 -13.046 23.854 371 HE ARG 46 HE ARG 46 -15.071 -12.663 24.355 372 HH11 ARG 46 HH11 ARG 46 -13.554 -15.086 22.301 373 HH12 ARG 46 HH12 ARG 46 -14.817 -16.253 22.517 374 HH21 ARG 46 HH21 ARG 46 -16.742 -14.199 24.625 375 HH22 ARG 46 HH22 ARG 46 -16.637 -15.743 23.834 376 H GLU 47 H GLU 47 -10.722 -12.095 20.141 377 HA GLU 47 HA GLU 47 -8.469 -10.495 19.166 378 HB2 GLU 47 HB2 GLU 47 -8.657 -13.536 18.930 379 HB3 GLU 47 HB3 GLU 47 -7.583 -12.545 17.950 380 HG2 GLU 47 HG2 GLU 47 -6.247 -13.475 19.662 381 HG3 GLU 47 HG3 GLU 47 -6.470 -11.778 20.075 382 H ASN 48 H ASN 48 -8.359 -10.333 16.925 383 HA ASN 48 HA ASN 48 -10.725 -11.110 15.315 384 HB2 ASN 48 HB2 ASN 48 -8.713 -8.848 14.901 385 HB3 ASN 48 HB3 ASN 48 -9.946 -9.302 13.732 386 HD21 ASN 48 HD21 ASN 48 -9.403 -7.914 16.904 387 HD22 ASN 48 HD22 ASN 48 -10.904 -7.062 16.979 388 H LEU 49 H LEU 49 -9.995 -11.445 12.925 389 HA LEU 49 HA LEU 49 -7.204 -12.240 12.580 390 HB2 LEU 49 HB2 LEU 49 -8.557 -14.321 13.092 391 HB3 LEU 49 HB3 LEU 49 -9.487 -14.028 11.653 392 HG LEU 49 HG LEU 49 -7.598 -14.480 10.213 393 HD11 LEU 49 HD11 LEU 49 -5.790 -13.384 11.417 394 HD12 LEU 49 HD12 LEU 49 -5.342 -15.056 11.094 395 HD13 LEU 49 HD13 LEU 49 -5.866 -14.584 12.711 396 HD21 LEU 49 HD21 LEU 49 -8.761 -16.476 11.073 397 HD22 LEU 49 HD22 LEU 49 -7.649 -16.551 12.443 398 HD23 LEU 49 HD23 LEU 49 -7.051 -16.810 10.803 399 H TYR 50 H TYR 50 -6.450 -11.708 10.567 400 HA TYR 50 HA TYR 50 -8.354 -10.586 8.608 401 HB2 TYR 50 HB2 TYR 50 -5.750 -9.264 9.510 402 HB3 TYR 50 HB3 TYR 50 -6.843 -8.655 8.266 403 HD1 TYR 50 HD1 TYR 50 -9.423 -8.499 9.165 404 HD2 TYR 50 HD2 TYR 50 -5.933 -8.181 11.606 405 HE1 TYR 50 HE1 TYR 50 -10.718 -7.277 10.848 406 HE2 TYR 50 HE2 TYR 50 -7.240 -6.944 13.280 407 HH TYR 50 HH TYR 50 -10.624 -6.775 13.255 408 H GLY 51 H GLY 51 -8.077 -11.584 6.729 409 HA2 GLY 51 HA2 GLY 51 -5.516 -12.978 6.156 410 HA3 GLY 51 HA3 GLY 51 -7.103 -13.482 5.592 411 HA PRO 52 HA PRO 52 -5.118 -10.829 2.243 412 HB2 PRO 52 HB2 PRO 52 -4.978 -13.257 0.567 413 HB3 PRO 52 HB3 PRO 52 -3.678 -12.150 1.014 414 HG2 PRO 52 HG2 PRO 52 -3.826 -14.704 1.967 415 HG3 PRO 52 HG3 PRO 52 -3.097 -13.373 2.882 416 HD2 PRO 52 HD2 PRO 52 -5.847 -14.574 3.168 417 HD3 PRO 52 HD3 PRO 52 -4.688 -14.097 4.433 418 H ALA 53 H ALA 53 -6.929 -9.800 1.611 419 HA ALA 53 HA ALA 53 -9.491 -10.847 1.348 420 HB1 ALA 53 HB1 ALA 53 -10.080 -8.712 0.270 421 HB2 ALA 53 HB2 ALA 53 -8.366 -8.354 0.022 422 HB3 ALA 53 HB3 ALA 53 -9.020 -8.455 1.656 423 HA PRO 54 HA PRO 54 -9.592 -12.543 -2.898 424 HB2 PRO 54 HB2 PRO 54 -12.272 -12.332 -3.423 425 HB3 PRO 54 HB3 PRO 54 -11.618 -13.562 -2.329 426 HG2 PRO 54 HG2 PRO 54 -12.883 -10.904 -1.663 427 HG3 PRO 54 HG3 PRO 54 -13.160 -12.496 -0.917 428 HD2 PRO 54 HD2 PRO 54 -11.524 -10.629 0.209 429 HD3 PRO 54 HD3 PRO 54 -11.215 -12.367 0.372 430 H GLN 55 H GLN 55 -8.318 -10.614 -3.334 431 HA GLN 55 HA GLN 55 -9.494 -8.117 -4.144 432 HB2 GLN 55 HB2 GLN 55 -7.285 -8.311 -2.967 433 HB3 GLN 55 HB3 GLN 55 -6.619 -9.148 -4.362 434 HG2 GLN 55 HG2 GLN 55 -6.756 -7.150 -5.708 435 HG3 GLN 55 HG3 GLN 55 -7.676 -6.309 -4.462 436 HE21 GLN 55 HE21 GLN 55 -4.479 -7.387 -5.424 437 HE22 GLN 55 HE22 GLN 55 -3.606 -6.483 -4.238 438 H SER 56 H SER 56 -9.143 -7.210 -6.342 439 HA SER 56 HA SER 56 -9.646 -9.077 -8.462 440 HB2 SER 56 HB2 SER 56 -10.669 -6.816 -8.458 441 HB3 SER 56 HB3 SER 56 -9.072 -6.088 -8.597 442 HG SER 56 HG SER 56 -9.949 -6.215 -10.646 443 H PHE 57 H PHE 57 -7.674 -10.370 -8.002 444 HA PHE 57 HA PHE 57 -5.212 -9.247 -9.117 445 HB2 PHE 57 HB2 PHE 57 -4.170 -11.472 -8.437 446 HB3 PHE 57 HB3 PHE 57 -4.654 -10.389 -7.153 447 HD1 PHE 57 HD1 PHE 57 -5.499 -13.598 -8.855 448 HD2 PHE 57 HD2 PHE 57 -6.247 -11.074 -5.482 449 HE1 PHE 57 HE1 PHE 57 -6.611 -15.464 -7.697 450 HE2 PHE 57 HE2 PHE 57 -7.348 -12.944 -4.336 451 HZ PHE 57 HZ PHE 57 -7.541 -15.140 -5.436 452 H ALA 58 H ALA 58 -5.690 -9.014 -11.170 453 HA ALA 58 HA ALA 58 -7.017 -10.848 -12.865 454 HB1 ALA 58 HB1 ALA 58 -6.260 -9.338 -14.688 455 HB2 ALA 58 HB2 ALA 58 -5.203 -8.500 -13.546 456 HB3 ALA 58 HB3 ALA 58 -6.954 -8.443 -13.336 457 H ASP 59 H ASP 59 -6.127 -12.839 -12.883 458 HA ASP 59 HA ASP 59 -4.798 -14.594 -13.344 459 HB2 ASP 59 HB2 ASP 59 -4.573 -13.481 -15.568 460 HB3 ASP 59 HB3 ASP 59 -3.184 -12.580 -14.978 461 H ASP 60 H ASP 60 -4.431 -13.093 -10.962 462 HA ASP 60 HA ASP 60 -3.188 -12.951 -9.088 463 HB2 ASP 60 HB2 ASP 60 -1.848 -15.294 -10.463 464 HB3 ASP 60 HB3 ASP 60 -1.211 -14.704 -8.933 465 H GLU 61 H GLU 61 -2.409 -11.279 -11.436 466 HA GLU 61 HA GLU 61 0.357 -10.641 -11.092 467 HB2 GLU 61 HB2 GLU 61 -1.991 -9.078 -12.229 468 HB3 GLU 61 HB3 GLU 61 -0.356 -8.428 -12.179 469 HG2 GLU 61 HG2 GLU 61 -1.224 -10.926 -13.663 470 HG3 GLU 61 HG3 GLU 61 -0.914 -9.347 -14.384 471 H ASP 62 H ASP 62 -2.650 -9.145 -9.890 472 HA ASP 62 HA ASP 62 -1.426 -6.947 -8.617 473 HB2 ASP 62 HB2 ASP 62 -4.219 -8.061 -8.183 474 HB3 ASP 62 HB3 ASP 62 -3.672 -6.449 -7.712 475 H ILE 63 H ILE 63 -1.522 -10.118 -7.486 476 HA ILE 63 HA ILE 63 -1.547 -9.903 -4.700 477 HB ILE 63 HB ILE 63 0.368 -11.631 -6.353 478 HG12 ILE 63 HG12 ILE 63 -1.993 -11.968 -7.088 479 HG13 ILE 63 HG13 ILE 63 -1.332 -13.411 -6.328 480 HG21 ILE 63 HG21 ILE 63 -0.695 -12.074 -3.534 481 HG22 ILE 63 HG22 ILE 63 0.951 -11.597 -3.963 482 HG23 ILE 63 HG23 ILE 63 0.344 -13.184 -4.435 483 HD11 ILE 63 HD11 ILE 63 -3.238 -11.435 -5.081 484 HD12 ILE 63 HD12 ILE 63 -2.532 -12.826 -4.252 485 HD13 ILE 63 HD13 ILE 63 -3.602 -13.070 -5.630 486 H MET 64 H MET 64 1.071 -9.378 -7.022 487 HA MET 64 HA MET 64 2.848 -8.177 -4.972 488 HB2 MET 64 HB2 MET 64 3.520 -9.633 -7.567 489 HB3 MET 64 HB3 MET 64 4.712 -8.871 -6.518 490 HG2 MET 64 HG2 MET 64 4.309 -10.450 -4.770 491 HG3 MET 64 HG3 MET 64 2.870 -11.077 -5.573 492 HE1 MET 64 HE1 MET 64 3.629 -11.565 -8.552 493 HE2 MET 64 HE2 MET 64 2.865 -12.788 -7.534 494 HE3 MET 64 HE3 MET 64 4.289 -13.203 -8.484 495 H ARG 65 H ARG 65 1.467 -7.830 -8.188 496 HA ARG 65 HA ARG 65 3.008 -5.524 -8.982 497 HB2 ARG 65 HB2 ARG 65 0.526 -6.678 -10.318 498 HB3 ARG 65 HB3 ARG 65 1.686 -5.568 -11.045 499 HG2 ARG 65 HG2 ARG 65 2.213 -8.448 -10.238 500 HG3 ARG 65 HG3 ARG 65 1.981 -7.849 -11.879 501 HD2 ARG 65 HD2 ARG 65 4.280 -7.065 -10.048 502 HD3 ARG 65 HD3 ARG 65 4.372 -8.276 -11.326 503 HE ARG 65 HE ARG 65 4.402 -5.399 -11.622 504 HH11 ARG 65 HH11 ARG 65 3.675 -8.383 -13.363 505 HH12 ARG 65 HH12 ARG 65 4.063 -7.701 -14.908 506 HH21 ARG 65 HH21 ARG 65 4.880 -4.542 -13.665 507 HH22 ARG 65 HH22 ARG 65 4.752 -5.540 -15.079 508 H ALA 66 H ALA 66 0.315 -6.020 -7.043 509 HA ALA 66 HA ALA 66 -0.054 -3.125 -6.746 510 HB1 ALA 66 HB1 ALA 66 -2.381 -5.086 -6.911 511 HB2 ALA 66 HB2 ALA 66 -1.977 -3.865 -8.117 512 HB3 ALA 66 HB3 ALA 66 -2.500 -3.371 -6.507 513 H GLU 67 H GLU 67 -0.897 -2.605 -4.561 514 HA GLU 67 HA GLU 67 0.237 -4.258 -2.519 515 HB2 GLU 67 HB2 GLU 67 0.247 -1.847 -2.201 516 HB3 GLU 67 HB3 GLU 67 -1.506 -1.767 -2.351 517 HG2 GLU 67 HG2 GLU 67 -1.828 -2.874 -0.229 518 HG3 GLU 67 HG3 GLU 67 -0.114 -3.281 -0.119 519 H ARG 68 H ARG 68 -0.743 -5.669 -1.164 520 HA ARG 68 HA ARG 68 -3.383 -6.664 -1.860 521 HB2 ARG 68 HB2 ARG 68 -2.826 -8.549 -0.339 522 HB3 ARG 68 HB3 ARG 68 -1.598 -8.293 -1.572 523 HG2 ARG 68 HG2 ARG 68 -0.292 -6.990 0.237 524 HG3 ARG 68 HG3 ARG 68 -1.429 -7.684 1.396 525 HD2 ARG 68 HD2 ARG 68 0.605 -9.034 1.295 526 HD3 ARG 68 HD3 ARG 68 -0.757 -9.966 0.659 527 HE ARG 68 HE ARG 68 0.298 -8.824 -1.571 528 HH11 ARG 68 HH11 ARG 68 1.666 -10.841 0.938 529 HH12 ARG 68 HH12 ARG 68 2.930 -11.444 -0.075 530 HH21 ARG 68 HH21 ARG 68 1.959 -9.638 -2.884 531 HH22 ARG 68 HH22 ARG 68 3.102 -10.768 -2.232 532 H ARG 69 H ARG 69 -5.167 -6.051 -0.858 533 HA ARG 69 HA ARG 69 -5.119 -4.682 1.737 534 HB2 ARG 69 HB2 ARG 69 -6.337 -3.778 -0.309 535 HB3 ARG 69 HB3 ARG 69 -7.430 -5.151 -0.212 536 HG2 ARG 69 HG2 ARG 69 -8.334 -4.359 1.893 537 HG3 ARG 69 HG3 ARG 69 -7.098 -3.100 2.004 538 HD2 ARG 69 HD2 ARG 69 -8.014 -1.984 0.012 539 HD3 ARG 69 HD3 ARG 69 -9.211 -3.268 -0.183 540 HE ARG 69 HE ARG 69 -9.500 -2.130 2.371 541 HH11 ARG 69 HH11 ARG 69 -10.020 -1.194 -0.983 542 HH12 ARG 69 HH12 ARG 69 -11.322 -0.115 -0.596 543 HH21 ARG 69 HH21 ARG 69 -11.211 -0.729 2.854 544 HH22 ARG 69 HH22 ARG 69 -11.986 0.162 1.581 545 H PHE 70 H PHE 70 -6.598 -5.478 3.445 546 HA PHE 70 HA PHE 70 -6.607 -8.436 3.499 547 HB2 PHE 70 HB2 PHE 70 -6.493 -6.333 5.694 548 HB3 PHE 70 HB3 PHE 70 -6.860 -8.019 6.047 549 HD1 PHE 70 HD1 PHE 70 -4.327 -6.329 3.823 550 HD2 PHE 70 HD2 PHE 70 -5.029 -9.043 7.045 551 HE1 PHE 70 HE1 PHE 70 -1.924 -6.806 3.950 552 HE2 PHE 70 HE2 PHE 70 -2.621 -9.504 7.172 553 HZ PHE 70 HZ PHE 70 -1.067 -8.385 5.626 554 H GLU 71 H GLU 71 -8.300 -9.340 5.028 555 HA GLU 71 HA GLU 71 -10.946 -8.035 4.822 556 HB2 GLU 71 HB2 GLU 71 -11.969 -10.202 4.203 557 HB3 GLU 71 HB3 GLU 71 -10.795 -9.711 2.987 558 HG2 GLU 71 HG2 GLU 71 -9.143 -11.277 3.913 559 HG3 GLU 71 HG3 GLU 71 -10.273 -11.747 5.179 560 H THR 72 H THR 72 -12.347 -8.602 6.571 561 HA THR 72 HA THR 72 -10.990 -9.487 8.980 562 HB THR 72 HB THR 72 -13.918 -8.666 8.629 563 HG1 THR 72 HG1 THR 72 -12.104 -6.907 9.768 564 HG21 THR 72 HG21 THR 72 -13.464 -9.874 10.765 565 HG22 THR 72 HG22 THR 72 -13.817 -8.170 11.050 566 HG23 THR 72 HG23 THR 72 -12.152 -8.743 11.114 567 H ARG 73 H ARG 73 -10.661 -11.691 8.995 568 HA ARG 73 HA ARG 73 -12.480 -13.640 7.891 569 HB2 ARG 73 HB2 ARG 73 -10.018 -14.014 9.661 570 HB3 ARG 73 HB3 ARG 73 -10.835 -15.293 8.764 571 HG2 ARG 73 HG2 ARG 73 -9.518 -12.893 7.460 572 HG3 ARG 73 HG3 ARG 73 -8.695 -14.427 7.740 573 HD2 ARG 73 HD2 ARG 73 -11.260 -14.238 6.132 574 HD3 ARG 73 HD3 ARG 73 -9.666 -14.034 5.404 575 HE ARG 73 HE ARG 73 -10.514 -16.506 6.808 576 HH11 ARG 73 HH11 ARG 73 -9.068 -14.966 3.995 577 HH12 ARG 73 HH12 ARG 73 -8.443 -16.454 3.356 578 HH21 ARG 73 HH21 ARG 73 -9.690 -18.452 5.947 579 HH22 ARG 73 HH22 ARG 73 -8.778 -18.429 4.471 580 H LEU 74 H LEU 74 -11.363 -12.712 11.110 581 HA LEU 74 HA LEU 74 -13.828 -13.731 12.388 582 HB2 LEU 74 HB2 LEU 74 -10.976 -14.145 13.393 583 HB3 LEU 74 HB3 LEU 74 -12.421 -14.524 14.314 584 HG LEU 74 HG LEU 74 -11.675 -15.891 11.692 585 HD11 LEU 74 HD11 LEU 74 -11.296 -16.920 14.522 586 HD12 LEU 74 HD12 LEU 74 -10.013 -16.447 13.407 587 HD13 LEU 74 HD13 LEU 74 -11.024 -17.842 13.039 588 HD21 LEU 74 HD21 LEU 74 -13.793 -16.595 13.757 589 HD22 LEU 74 HD22 LEU 74 -13.392 -17.549 12.327 590 HD23 LEU 74 HD23 LEU 74 -14.088 -15.941 12.142 591 H ALA 75 H ALA 75 -14.287 -12.620 14.436 592 HA ALA 75 HA ALA 75 -12.782 -10.249 15.157 593 HB1 ALA 75 HB1 ALA 75 -14.596 -8.645 14.775 594 HB2 ALA 75 HB2 ALA 75 -15.611 -9.912 14.077 595 HB3 ALA 75 HB3 ALA 75 -14.131 -9.413 13.257 596 H GLY 76 H GLY 76 -12.889 -9.997 17.292 597 HA2 GLY 76 HA2 GLY 76 -13.570 -10.060 19.480 598 HA3 GLY 76 HA3 GLY 76 -15.219 -10.136 18.894 599 H VAL 77 H VAL 77 -12.858 -12.536 18.063 600 HA VAL 77 HA VAL 77 -14.340 -14.622 19.533 601 HB VAL 77 HB VAL 77 -13.289 -16.228 17.972 602 HG11 VAL 77 HG11 VAL 77 -14.639 -13.917 16.510 603 HG12 VAL 77 HG12 VAL 77 -15.458 -15.253 17.322 604 HG13 VAL 77 HG13 VAL 77 -14.473 -15.565 15.893 605 HG21 VAL 77 HG21 VAL 77 -12.000 -13.794 16.663 606 HG22 VAL 77 HG22 VAL 77 -11.953 -15.441 16.029 607 HG23 VAL 77 HG23 VAL 77 -11.157 -15.064 17.555 608 H GLU 78 H GLU 78 -12.413 -16.583 19.669 609 HA GLU 78 HA GLU 78 -10.391 -15.445 21.499 610 HB2 GLU 78 HB2 GLU 78 -10.219 -17.906 22.297 611 HB3 GLU 78 HB3 GLU 78 -11.609 -16.964 22.800 612 HG2 GLU 78 HG2 GLU 78 -11.785 -18.770 20.390 613 HG3 GLU 78 HG3 GLU 78 -11.911 -19.433 22.015 614 H GLY 79 H GLY 79 -8.284 -16.433 21.526 615 HA2 GLY 79 HA2 GLY 79 -6.997 -16.673 19.026 616 HA3 GLY 79 HA3 GLY 79 -6.300 -17.074 20.589 617 H GLU 80 H GLU 80 -8.616 -19.001 20.973 618 HA GLU 80 HA GLU 80 -7.556 -21.403 19.926 619 HB2 GLU 80 HB2 GLU 80 -9.032 -21.149 21.968 620 HB3 GLU 80 HB3 GLU 80 -10.397 -20.877 20.893 621 HG2 GLU 80 HG2 GLU 80 -10.152 -23.137 19.974 622 HG3 GLU 80 HG3 GLU 80 -8.735 -23.414 20.984 623 H GLU 81 H GLU 81 -10.228 -19.284 18.876 624 HA GLU 81 HA GLU 81 -11.007 -20.811 16.581 625 HB2 GLU 81 HB2 GLU 81 -11.492 -17.886 17.268 626 HB3 GLU 81 HB3 GLU 81 -12.236 -18.718 15.906 627 HG2 GLU 81 HG2 GLU 81 -12.653 -19.288 18.850 628 HG3 GLU 81 HG3 GLU 81 -13.808 -18.579 17.725 629 H ILE 82 H ILE 82 -8.779 -18.120 17.118 630 HA ILE 82 HA ILE 82 -8.164 -17.500 14.433 631 HB ILE 82 HB ILE 82 -6.225 -17.290 16.794 632 HG12 ILE 82 HG12 ILE 82 -8.299 -16.139 17.416 633 HG13 ILE 82 HG13 ILE 82 -7.059 -14.941 17.079 634 HG21 ILE 82 HG21 ILE 82 -5.191 -15.445 15.498 635 HG22 ILE 82 HG22 ILE 82 -6.317 -15.747 14.172 636 HG23 ILE 82 HG23 ILE 82 -5.136 -16.973 14.622 637 HD11 ILE 82 HD11 ILE 82 -8.076 -14.567 14.868 638 HD12 ILE 82 HD12 ILE 82 -9.168 -14.228 16.208 639 HD13 ILE 82 HD13 ILE 82 -9.349 -15.718 15.285 640 H ALA 83 H ALA 83 -6.478 -19.588 16.767 641 HA ALA 83 HA ALA 83 -4.519 -20.680 15.066 642 HB1 ALA 83 HB1 ALA 83 -5.743 -21.883 17.571 643 HB2 ALA 83 HB2 ALA 83 -4.387 -20.756 17.523 644 HB3 ALA 83 HB3 ALA 83 -4.215 -22.370 16.830 645 H ALA 84 H ALA 84 -7.851 -21.603 15.704 646 HA ALA 84 HA ALA 84 -7.903 -24.208 14.656 647 HB1 ALA 84 HB1 ALA 84 -10.145 -22.161 14.677 648 HB2 ALA 84 HB2 ALA 84 -9.732 -23.257 15.996 649 HB3 ALA 84 HB3 ALA 84 -10.332 -23.907 14.468 650 H LEU 85 H LEU 85 -8.350 -21.043 13.040 651 HA LEU 85 HA LEU 85 -8.708 -22.267 10.431 652 HB2 LEU 85 HB2 LEU 85 -9.768 -20.069 10.947 653 HB3 LEU 85 HB3 LEU 85 -8.174 -19.346 11.087 654 HG LEU 85 HG LEU 85 -8.134 -20.645 8.565 655 HD11 LEU 85 HD11 LEU 85 -10.017 -19.802 7.321 656 HD12 LEU 85 HD12 LEU 85 -10.774 -19.257 8.822 657 HD13 LEU 85 HD13 LEU 85 -10.473 -20.978 8.551 658 HD21 LEU 85 HD21 LEU 85 -6.938 -18.661 8.892 659 HD22 LEU 85 HD22 LEU 85 -8.408 -17.726 9.238 660 HD23 LEU 85 HD23 LEU 85 -8.109 -18.339 7.608 661 H LEU 86 H LEU 86 -6.088 -20.531 12.138 662 HA LEU 86 HA LEU 86 -4.256 -20.218 10.078 663 HB2 LEU 86 HB2 LEU 86 -3.680 -20.731 13.016 664 HB3 LEU 86 HB3 LEU 86 -2.459 -20.236 11.856 665 HG LEU 86 HG LEU 86 -4.857 -18.591 12.744 666 HD11 LEU 86 HD11 LEU 86 -3.196 -17.081 13.741 667 HD12 LEU 86 HD12 LEU 86 -1.899 -18.178 13.262 668 HD13 LEU 86 HD13 LEU 86 -3.105 -18.696 14.442 669 HD21 LEU 86 HD21 LEU 86 -2.708 -17.847 10.736 670 HD22 LEU 86 HD22 LEU 86 -3.947 -16.764 11.375 671 HD23 LEU 86 HD23 LEU 86 -4.414 -18.141 10.384 672 H GLU 87 H GLU 87 -4.961 -23.080 11.989 673 HA GLU 87 HA GLU 87 -2.699 -24.631 11.143 674 HB2 GLU 87 HB2 GLU 87 -3.593 -26.407 12.435 675 HB3 GLU 87 HB3 GLU 87 -4.035 -24.952 13.302 676 HG2 GLU 87 HG2 GLU 87 -6.022 -26.070 13.454 677 HG3 GLU 87 HG3 GLU 87 -6.310 -25.233 11.942 678 H ARG 88 H ARG 88 -5.966 -24.097 9.949 679 HA ARG 88 HA ARG 88 -6.066 -26.321 8.159 680 HB2 ARG 88 HB2 ARG 88 -7.664 -23.718 8.163 681 HB3 ARG 88 HB3 ARG 88 -8.040 -25.123 7.165 682 HG2 ARG 88 HG2 ARG 88 -8.578 -26.448 9.107 683 HG3 ARG 88 HG3 ARG 88 -7.992 -25.188 10.193 684 HD2 ARG 88 HD2 ARG 88 -9.815 -23.681 9.302 685 HD3 ARG 88 HD3 ARG 88 -10.454 -25.080 8.422 686 HE ARG 88 HE ARG 88 -10.318 -26.061 10.897 687 HH11 ARG 88 HH11 ARG 88 -11.717 -23.024 9.781 688 HH12 ARG 88 HH12 ARG 88 -12.818 -22.921 11.119 689 HH21 ARG 88 HH21 ARG 88 -11.723 -25.887 12.628 690 HH22 ARG 88 HH22 ARG 88 -12.815 -24.543 12.734 691 H GLU 89 H GLU 89 -5.410 -22.862 7.872 692 HA GLU 89 HA GLU 89 -5.124 -22.729 5.074 693 HB2 GLU 89 HB2 GLU 89 -4.009 -20.838 7.192 694 HB3 GLU 89 HB3 GLU 89 -4.165 -20.473 5.473 695 HG2 GLU 89 HG2 GLU 89 -6.415 -20.964 7.439 696 HG3 GLU 89 HG3 GLU 89 -5.905 -19.404 6.799 697 H ARG 90 H ARG 90 -2.641 -22.820 7.689 698 HA ARG 90 HA ARG 90 -0.368 -22.777 6.018 699 HB2 ARG 90 HB2 ARG 90 0.958 -23.623 7.883 700 HB3 ARG 90 HB3 ARG 90 -0.195 -22.417 8.447 701 HG2 ARG 90 HG2 ARG 90 -1.599 -24.087 9.431 702 HG3 ARG 90 HG3 ARG 90 -0.698 -25.396 8.671 703 HD2 ARG 90 HD2 ARG 90 1.221 -24.981 10.072 704 HD3 ARG 90 HD3 ARG 90 0.506 -23.499 10.703 705 HE ARG 90 HE ARG 90 -0.526 -24.757 12.282 706 HH11 ARG 90 HH11 ARG 90 0.035 -26.973 9.581 707 HH12 ARG 90 HH12 ARG 90 -0.674 -28.321 10.406 708 HH21 ARG 90 HH21 ARG 90 -1.413 -26.547 13.328 709 HH22 ARG 90 HH22 ARG 90 -1.464 -28.087 12.526 710 H ARG 91 H ARG 91 -2.406 -25.459 6.880 711 HA ARG 91 HA ARG 91 -0.825 -27.659 6.139 712 HB2 ARG 91 HB2 ARG 91 -2.883 -27.953 7.379 713 HB3 ARG 91 HB3 ARG 91 -3.823 -27.184 6.113 714 HG2 ARG 91 HG2 ARG 91 -3.308 -29.136 4.617 715 HG3 ARG 91 HG3 ARG 91 -2.510 -29.917 5.988 716 HD2 ARG 91 HD2 ARG 91 -4.612 -29.884 7.251 717 HD3 ARG 91 HD3 ARG 91 -5.409 -29.018 5.932 718 HE ARG 91 HE ARG 91 -4.493 -31.301 4.753 719 HH11 ARG 91 HH11 ARG 91 -6.544 -30.723 7.562 720 HH12 ARG 91 HH12 ARG 91 -7.458 -32.178 7.329 721 HH21 ARG 91 HH21 ARG 91 -5.718 -33.184 4.465 722 HH22 ARG 91 HH22 ARG 91 -6.992 -33.566 5.582 723 H PHE 92 H PHE 92 -2.991 -25.596 4.245 724 HA PHE 92 HA PHE 92 -2.586 -27.102 1.788 725 HB2 PHE 92 HB2 PHE 92 -4.315 -24.668 2.427 726 HB3 PHE 92 HB3 PHE 92 -4.319 -25.522 0.898 727 HD1 PHE 92 HD1 PHE 92 -4.475 -28.283 1.377 728 HD2 PHE 92 HD2 PHE 92 -6.206 -25.161 3.728 729 HE1 PHE 92 HE1 PHE 92 -6.157 -29.859 2.237 730 HE2 PHE 92 HE2 PHE 92 -7.880 -26.743 4.585 731 HZ PHE 92 HZ PHE 92 -7.856 -29.090 3.846 732 H ASP 93 H ASP 93 -1.932 -23.849 3.042 733 HA ASP 93 HA ASP 93 0.148 -23.414 1.019 734 HB2 ASP 93 HB2 ASP 93 -0.411 -20.980 1.020 735 HB3 ASP 93 HB3 ASP 93 -1.710 -21.980 0.393 736 H SER 94 H SER 94 1.878 -23.822 2.163 737 HA SER 94 HA SER 94 2.335 -23.284 4.941 738 HB2 SER 94 HB2 SER 94 3.406 -25.146 3.701 739 HB3 SER 94 HB3 SER 94 4.235 -24.004 2.647 740 HG SER 94 HG SER 94 4.927 -23.288 5.050 741 H ASP 95 H ASP 95 2.483 -21.301 2.144 742 HA ASP 95 HA ASP 95 4.783 -19.693 2.795 743 HB2 ASP 95 HB2 ASP 95 4.114 -18.357 0.808 744 HB3 ASP 95 HB3 ASP 95 4.181 -20.081 0.463 745 H LEU 96 H LEU 96 1.819 -19.644 4.313 746 HA LEU 96 HA LEU 96 1.353 -16.798 4.281 747 HB2 LEU 96 HB2 LEU 96 -0.569 -17.152 5.550 748 HB3 LEU 96 HB3 LEU 96 -0.427 -18.595 4.569 749 HG LEU 96 HG LEU 96 0.771 -19.519 6.838 750 HD11 LEU 96 HD11 LEU 96 0.501 -17.452 8.129 751 HD12 LEU 96 HD12 LEU 96 -0.447 -18.757 8.835 752 HD13 LEU 96 HD13 LEU 96 -1.246 -17.503 7.882 753 HD21 LEU 96 HD21 LEU 96 -1.101 -20.586 5.697 754 HD22 LEU 96 HD22 LEU 96 -2.221 -19.416 6.403 755 HD23 LEU 96 HD23 LEU 96 -1.352 -20.555 7.440 756 H TRP 97 H TRP 97 1.261 -15.470 6.159 757 HA TRP 97 HA TRP 97 3.423 -15.892 8.144 758 HB2 TRP 97 HB2 TRP 97 2.406 -13.305 6.841 759 HB3 TRP 97 HB3 TRP 97 3.599 -13.366 8.132 760 HD1 TRP 97 HD1 TRP 97 3.324 -14.933 4.541 761 HE1 TRP 97 HE1 TRP 97 5.636 -14.731 3.435 762 HE3 TRP 97 HE3 TRP 97 5.891 -12.631 8.326 763 HZ2 TRP 97 HZ2 TRP 97 8.160 -13.750 4.032 764 HZ3 TRP 97 HZ3 TRP 97 8.262 -12.092 7.960 765 HH2 TRP 97 HH2 TRP 97 9.370 -12.639 5.853 766 H VAL 98 H VAL 98 2.887 -15.311 10.308 767 HA VAL 98 HA VAL 98 0.157 -14.281 10.824 768 HB VAL 98 HB VAL 98 1.692 -16.232 12.611 769 HG11 VAL 98 HG11 VAL 98 -0.304 -16.207 14.085 770 HG12 VAL 98 HG12 VAL 98 -1.049 -14.972 13.066 771 HG13 VAL 98 HG13 VAL 98 0.421 -14.604 13.967 772 HG21 VAL 98 HG21 VAL 98 0.672 -17.371 10.675 773 HG22 VAL 98 HG22 VAL 98 -0.895 -16.651 11.051 774 HG23 VAL 98 HG23 VAL 98 -0.165 -17.811 12.164 775 H VAL 99 H VAL 99 0.161 -12.357 11.756 776 HA VAL 99 HA VAL 99 2.402 -11.546 13.534 777 HB VAL 99 HB VAL 99 0.779 -9.680 11.720 778 HG11 VAL 99 HG11 VAL 99 2.364 -7.907 12.421 779 HG12 VAL 99 HG12 VAL 99 3.132 -9.036 13.542 780 HG13 VAL 99 HG13 VAL 99 1.455 -8.549 13.789 781 HG21 VAL 99 HG21 VAL 99 2.341 -11.034 10.389 782 HG22 VAL 99 HG22 VAL 99 3.679 -10.559 11.436 783 HG23 VAL 99 HG23 VAL 99 2.869 -9.351 10.436 784 H GLU 100 H GLU 100 1.598 -11.507 15.602 785 HA GLU 100 HA GLU 100 -1.241 -10.952 16.021 786 HB2 GLU 100 HB2 GLU 100 -0.843 -11.425 18.393 787 HB3 GLU 100 HB3 GLU 100 -0.314 -12.750 17.373 788 HG2 GLU 100 HG2 GLU 100 2.009 -12.193 17.732 789 HG3 GLU 100 HG3 GLU 100 1.567 -10.700 18.562 790 H ILE 101 H ILE 101 -1.817 -8.906 15.928 791 HA ILE 101 HA ILE 101 -0.183 -6.821 17.234 792 HB ILE 101 HB ILE 101 -1.489 -5.141 16.064 793 HG12 ILE 101 HG12 ILE 101 -3.159 -7.375 14.807 794 HG13 ILE 101 HG13 ILE 101 -3.716 -6.332 16.102 795 HG21 ILE 101 HG21 ILE 101 -0.662 -7.327 14.106 796 HG22 ILE 101 HG22 ILE 101 0.385 -6.092 14.798 797 HG23 ILE 101 HG23 ILE 101 -0.906 -5.623 13.702 798 HD11 ILE 101 HD11 ILE 101 -2.974 -5.451 13.321 799 HD12 ILE 101 HD12 ILE 101 -3.529 -4.393 14.624 800 HD13 ILE 101 HD13 ILE 101 -4.601 -5.633 13.975 801 H GLU 102 H GLU 102 -1.358 -5.274 18.602 802 HA GLU 102 HA GLU 102 -3.827 -6.260 19.848 803 HB2 GLU 102 HB2 GLU 102 -1.943 -7.127 21.218 804 HB3 GLU 102 HB3 GLU 102 -1.304 -5.495 21.402 805 HG2 GLU 102 HG2 GLU 102 -3.245 -4.819 22.684 806 HG3 GLU 102 HG3 GLU 102 -4.046 -6.358 22.367 807 H THR 103 H THR 103 -5.217 -4.661 19.857 808 HA THR 103 HA THR 103 -4.748 -1.945 20.474 809 HB THR 103 HB THR 103 -3.566 -1.777 18.326 810 HG1 THR 103 HG1 THR 103 -5.417 -0.394 17.214 811 HG21 THR 103 HG21 THR 103 -4.643 -2.244 16.170 812 HG22 THR 103 HG22 THR 103 -6.079 -2.842 17.000 813 HG23 THR 103 HG23 THR 103 -4.547 -3.707 17.151 814 H ASP 104 H ASP 104 -6.736 -0.627 19.982 815 HA ASP 104 HA ASP 104 -9.166 -2.233 20.327 816 HB2 ASP 104 HB2 ASP 104 -10.222 -0.153 21.023 817 HB3 ASP 104 HB3 ASP 104 -8.684 -0.306 21.855 818 H GLU 105 H GLU 105 -7.613 -0.167 17.968 819 HA GLU 105 HA GLU 105 -9.931 -0.377 16.124 820 HB2 GLU 105 HB2 GLU 105 -9.270 1.892 15.253 821 HB3 GLU 105 HB3 GLU 105 -9.821 1.911 16.924 822 HG2 GLU 105 HG2 GLU 105 -7.460 1.987 17.685 823 HG3 GLU 105 HG3 GLU 105 -6.931 2.033 16.005 824 H ILE 106 H ILE 106 -9.508 -1.104 14.117 825 HA ILE 106 HA ILE 106 -6.782 -1.960 13.439 826 HB ILE 106 HB ILE 106 -8.585 -3.653 13.331 827 HG12 ILE 106 HG12 ILE 106 -8.136 -4.530 11.011 828 HG13 ILE 106 HG13 ILE 106 -7.371 -2.991 10.611 829 HG21 ILE 106 HG21 ILE 106 -10.354 -3.604 11.621 830 HG22 ILE 106 HG22 ILE 106 -9.848 -1.980 11.150 831 HG23 ILE 106 HG23 ILE 106 -10.500 -2.266 12.763 832 HD11 ILE 106 HD11 ILE 106 -5.660 -3.382 12.282 833 HD12 ILE 106 HD12 ILE 106 -5.762 -4.748 11.174 834 HD13 ILE 106 HD13 ILE 106 -6.458 -4.874 12.789 835 H GLY 107 H GLY 107 -9.256 0.302 12.414 836 HA2 GLY 107 HA2 GLY 107 -8.758 0.343 9.644 837 HA3 GLY 107 HA3 GLY 107 -9.638 1.557 10.552 838 H THR 108 H THR 108 -7.082 1.998 12.196 839 HA THR 108 HA THR 108 -5.981 4.052 10.449 840 HB THR 108 HB THR 108 -6.559 4.580 12.800 841 HG1 THR 108 HG1 THR 108 -5.116 6.041 12.316 842 HG21 THR 108 HG21 THR 108 -5.137 3.865 14.666 843 HG22 THR 108 HG22 THR 108 -4.209 2.822 13.587 844 HG23 THR 108 HG23 THR 108 -5.909 2.470 13.909 845 H LEU 109 H LEU 109 -5.014 0.919 11.724 846 HA LEU 109 HA LEU 109 -2.195 1.357 10.910 847 HB2 LEU 109 HB2 LEU 109 -1.726 -0.448 12.722 848 HB3 LEU 109 HB3 LEU 109 -2.071 1.191 13.218 849 HG LEU 109 HG LEU 109 -4.556 0.316 13.498 850 HD11 LEU 109 HD11 LEU 109 -4.221 -1.892 12.485 851 HD12 LEU 109 HD12 LEU 109 -4.763 -2.011 14.158 852 HD13 LEU 109 HD13 LEU 109 -3.069 -2.306 13.763 853 HD21 LEU 109 HD21 LEU 109 -2.410 -0.452 15.498 854 HD22 LEU 109 HD22 LEU 109 -4.130 -0.250 15.839 855 HD23 LEU 109 HD23 LEU 109 -3.164 1.137 15.347 856 H LEU 110 H LEU 110 -4.868 -0.216 9.890 857 HA LEU 110 HA LEU 110 -3.387 -1.668 7.924 858 HB2 LEU 110 HB2 LEU 110 -3.304 -3.332 9.799 859 HB3 LEU 110 HB3 LEU 110 -5.056 -3.306 9.886 860 HG LEU 110 HG LEU 110 -5.182 -4.294 7.610 861 HD11 LEU 110 HD11 LEU 110 -3.137 -3.436 6.633 862 HD12 LEU 110 HD12 LEU 110 -3.167 -5.193 6.516 863 HD13 LEU 110 HD13 LEU 110 -2.162 -4.411 7.737 864 HD21 LEU 110 HD21 LEU 110 -3.466 -5.932 9.516 865 HD22 LEU 110 HD22 LEU 110 -4.447 -6.568 8.193 866 HD23 LEU 110 HD23 LEU 110 -5.227 -5.794 9.569 867 H THR 111 H THR 111 -4.711 -2.226 6.140 868 HA THR 111 HA THR 111 -7.370 -0.940 6.150 869 HB THR 111 HB THR 111 -5.638 -1.630 3.731 870 HG1 THR 111 HG1 THR 111 -5.843 0.705 5.338 871 HG21 THR 111 HG21 THR 111 -8.060 -1.380 3.238 872 HG22 THR 111 HG22 THR 111 -7.133 -0.041 2.557 873 HG23 THR 111 HG23 THR 111 -8.062 0.194 4.042 874 H LEU 112 H LEU 112 -9.177 -2.042 5.672 875 HA LEU 112 HA LEU 112 -9.033 -4.914 4.893 876 HB2 LEU 112 HB2 LEU 112 -11.149 -3.616 6.662 877 HB3 LEU 112 HB3 LEU 112 -10.972 -5.328 6.303 878 HG LEU 112 HG LEU 112 -8.948 -3.714 7.876 879 HD11 LEU 112 HD11 LEU 112 -11.079 -5.550 8.912 880 HD12 LEU 112 HD12 LEU 112 -11.020 -3.793 9.082 881 HD13 LEU 112 HD13 LEU 112 -9.798 -4.791 9.861 882 HD21 LEU 112 HD21 LEU 112 -7.943 -5.644 6.771 883 HD22 LEU 112 HD22 LEU 112 -9.169 -6.702 7.474 884 HD23 LEU 112 HD23 LEU 112 -8.003 -5.879 8.516 885 H VAL 113 H VAL 113 -10.811 -5.663 3.609 886 HA VAL 113 HA VAL 113 -12.225 -3.666 1.990 887 HB VAL 113 HB VAL 113 -12.995 -5.656 0.641 888 HG11 VAL 113 HG11 VAL 113 -10.807 -6.209 -0.364 889 HG12 VAL 113 HG12 VAL 113 -9.983 -5.524 1.039 890 HG13 VAL 113 HG13 VAL 113 -10.939 -4.484 -0.018 891 HG21 VAL 113 HG21 VAL 113 -12.010 -7.887 1.063 892 HG22 VAL 113 HG22 VAL 113 -12.987 -7.361 2.436 893 HG23 VAL 113 HG23 VAL 113 -11.224 -7.273 2.520 894 H ASP 114 H ASP 114 -12.708 -5.433 4.824 895 HA ASP 114 HA ASP 114 -15.598 -5.796 4.491 896 HB2 ASP 114 HB2 ASP 114 -14.251 -7.704 5.332 897 HB3 ASP 114 HB3 ASP 114 -13.707 -6.737 6.701 898 H GLN 115 H GLN 115 -13.676 -4.841 7.374 899 HA GLN 115 HA GLN 115 -15.734 -3.231 8.471 900 HB2 GLN 115 HB2 GLN 115 -12.793 -3.465 9.205 901 HB3 GLN 115 HB3 GLN 115 -13.966 -2.579 10.169 902 HG2 GLN 115 HG2 GLN 115 -14.129 -5.549 9.569 903 HG3 GLN 115 HG3 GLN 115 -13.427 -4.860 11.033 904 HE21 GLN 115 HE21 GLN 115 -16.404 -5.419 9.269 905 HE22 GLN 115 HE22 GLN 115 -17.481 -5.095 10.584 906 HA PRO 116 HA PRO 116 -14.963 0.969 6.797 907 HB2 PRO 116 HB2 PRO 116 -15.430 1.696 9.702 908 HB3 PRO 116 HB3 PRO 116 -16.125 2.417 8.240 909 HG2 PRO 116 HG2 PRO 116 -17.581 0.743 9.719 910 HG3 PRO 116 HG3 PRO 116 -17.655 0.667 7.945 911 HD2 PRO 116 HD2 PRO 116 -16.233 -1.171 9.863 912 HD3 PRO 116 HD3 PRO 116 -17.083 -1.548 8.351 913 H GLN 117 H GLN 117 -13.266 2.443 6.802 914 HA GLN 117 HA GLN 117 -10.794 1.535 8.074 915 HB2 GLN 117 HB2 GLN 117 -10.990 3.840 6.106 916 HB3 GLN 117 HB3 GLN 117 -9.633 2.755 6.396 917 HG2 GLN 117 HG2 GLN 117 -12.208 2.154 4.920 918 HG3 GLN 117 HG3 GLN 117 -10.585 2.240 4.245 919 HE21 GLN 117 HE21 GLN 117 -12.706 0.116 4.373 920 HE22 GLN 117 HE22 GLN 117 -11.898 -1.285 4.973 921 H ALA 118 H ALA 118 -13.146 4.034 8.423 922 HA ALA 118 HA ALA 118 -11.452 5.464 10.396 923 HB1 ALA 118 HB1 ALA 118 -11.967 6.900 8.460 924 HB2 ALA 118 HB2 ALA 118 -12.775 7.490 9.912 925 HB3 ALA 118 HB3 ALA 118 -13.694 6.614 8.687 Start of MODEL 4 1 H MET 1 H MET 1 0.605 -0.031 -0.928 2 HA MET 1 HA MET 1 3.164 1.396 -0.628 3 HB2 MET 1 HB2 MET 1 2.081 -1.084 0.752 4 HB3 MET 1 HB3 MET 1 3.783 -0.647 0.778 5 HG2 MET 1 HG2 MET 1 3.217 1.474 1.908 6 HG3 MET 1 HG3 MET 1 1.516 0.994 1.927 7 HE1 MET 1 HE1 MET 1 1.611 1.460 4.639 8 HE2 MET 1 HE2 MET 1 3.332 1.833 4.506 9 HE3 MET 1 HE3 MET 1 2.775 0.653 5.691 10 H ARG 2 H ARG 2 1.720 -1.712 -1.552 11 HA ARG 2 HA ARG 2 2.303 -3.341 -2.920 12 HB2 ARG 2 HB2 ARG 2 3.654 -1.147 -4.514 13 HB3 ARG 2 HB3 ARG 2 3.467 -2.801 -5.099 14 HG2 ARG 2 HG2 ARG 2 1.008 -2.557 -5.006 15 HG3 ARG 2 HG3 ARG 2 1.193 -0.905 -4.404 16 HD2 ARG 2 HD2 ARG 2 2.166 -1.911 -7.106 17 HD3 ARG 2 HD3 ARG 2 0.699 -0.965 -6.824 18 HE ARG 2 HE ARG 2 2.988 0.375 -5.778 19 HH11 ARG 2 HH11 ARG 2 1.320 -0.273 -8.803 20 HH12 ARG 2 HH12 ARG 2 1.964 1.121 -9.596 21 HH21 ARG 2 HH21 ARG 2 3.829 2.190 -6.831 22 HH22 ARG 2 HH22 ARG 2 3.399 2.525 -8.478 23 H LEU 3 H LEU 3 3.473 -4.529 -1.566 24 HA LEU 3 HA LEU 3 6.361 -4.665 -1.850 25 HB2 LEU 3 HB2 LEU 3 6.349 -4.849 0.847 26 HB3 LEU 3 HB3 LEU 3 6.617 -3.339 0.005 27 HG LEU 3 HG LEU 3 4.280 -2.659 0.389 28 HD11 LEU 3 HD11 LEU 3 3.138 -4.784 0.378 29 HD12 LEU 3 HD12 LEU 3 2.780 -3.910 1.866 30 HD13 LEU 3 HD13 LEU 3 3.925 -5.255 1.886 31 HD21 LEU 3 HD21 LEU 3 5.978 -2.043 2.063 32 HD22 LEU 3 HD22 LEU 3 5.622 -3.511 2.977 33 HD23 LEU 3 HD23 LEU 3 4.389 -2.259 2.800 34 H LYS 4 H LYS 4 7.153 -6.603 -0.417 35 HA LYS 4 HA LYS 4 5.606 -8.902 -1.249 36 HB2 LYS 4 HB2 LYS 4 7.530 -10.200 -0.809 37 HB3 LYS 4 HB3 LYS 4 8.178 -8.662 -1.366 38 HG2 LYS 4 HG2 LYS 4 8.680 -8.031 0.969 39 HG3 LYS 4 HG3 LYS 4 7.997 -9.561 1.524 40 HD2 LYS 4 HD2 LYS 4 10.311 -9.986 1.512 41 HD3 LYS 4 HD3 LYS 4 9.752 -10.708 0.003 42 HE2 LYS 4 HE2 LYS 4 11.801 -9.514 -0.437 43 HE3 LYS 4 HE3 LYS 4 10.482 -8.609 -1.185 44 HZ1 LYS 4 HZ1 LYS 4 11.659 -7.984 1.475 45 HZ2 LYS 4 HZ2 LYS 4 10.505 -7.067 0.641 46 HZ3 LYS 4 HZ3 LYS 4 12.073 -7.206 0.034 47 H SER 5 H SER 5 5.532 -10.804 0.417 48 HA SER 5 HA SER 5 3.611 -10.251 2.376 49 HB2 SER 5 HB2 SER 5 5.472 -12.667 2.276 50 HB3 SER 5 HB3 SER 5 3.851 -12.604 2.972 51 HG SER 5 HG SER 5 3.028 -12.836 1.038 52 H GLU 6 H GLU 6 7.082 -10.881 2.734 53 HA GLU 6 HA GLU 6 7.397 -10.766 5.511 54 HB2 GLU 6 HB2 GLU 6 9.143 -11.710 4.183 55 HB3 GLU 6 HB3 GLU 6 9.269 -10.286 3.171 56 HG2 GLU 6 HG2 GLU 6 10.013 -10.071 6.085 57 HG3 GLU 6 HG3 GLU 6 11.120 -10.888 4.987 58 H MET 7 H MET 7 7.711 -8.262 3.064 59 HA MET 7 HA MET 7 8.545 -6.211 4.888 60 HB2 MET 7 HB2 MET 7 9.353 -6.244 2.560 61 HB3 MET 7 HB3 MET 7 7.706 -6.046 1.963 62 HG2 MET 7 HG2 MET 7 9.087 -3.955 1.951 63 HG3 MET 7 HG3 MET 7 7.564 -3.832 2.834 64 HE1 MET 7 HE1 MET 7 7.777 -2.072 4.642 65 HE2 MET 7 HE2 MET 7 9.094 -1.487 3.620 66 HE3 MET 7 HE3 MET 7 9.320 -1.617 5.363 67 H PHE 8 H PHE 8 5.478 -7.346 3.651 68 HA PHE 8 HA PHE 8 3.871 -5.088 4.289 69 HB2 PHE 8 HB2 PHE 8 3.055 -6.974 2.831 70 HB3 PHE 8 HB3 PHE 8 2.996 -8.022 4.246 71 HD1 PHE 8 HD1 PHE 8 1.416 -5.127 2.562 72 HD2 PHE 8 HD2 PHE 8 1.182 -7.777 5.911 73 HE1 PHE 8 HE1 PHE 8 -0.837 -4.290 3.067 74 HE2 PHE 8 HE2 PHE 8 -1.079 -6.932 6.402 75 HZ PHE 8 HZ PHE 8 -2.085 -5.190 4.983 76 H VAL 9 H VAL 9 4.772 -8.032 6.069 77 HA VAL 9 HA VAL 9 3.398 -7.402 8.479 78 HB VAL 9 HB VAL 9 5.808 -9.248 8.154 79 HG11 VAL 9 HG11 VAL 9 3.721 -9.100 10.337 80 HG12 VAL 9 HG12 VAL 9 5.426 -8.669 10.479 81 HG13 VAL 9 HG13 VAL 9 4.962 -10.347 10.193 82 HG21 VAL 9 HG21 VAL 9 3.966 -9.894 6.641 83 HG22 VAL 9 HG22 VAL 9 2.844 -9.913 8.002 84 HG23 VAL 9 HG23 VAL 9 4.171 -11.077 7.934 85 H SER 10 H SER 10 6.715 -6.825 7.345 86 HA SER 10 HA SER 10 7.869 -5.813 9.702 87 HB2 SER 10 HB2 SER 10 9.164 -6.418 7.642 88 HB3 SER 10 HB3 SER 10 8.520 -4.992 6.831 89 HG SER 10 HG SER 10 10.470 -5.204 8.807 90 H ALA 11 H ALA 11 6.055 -4.218 7.107 91 HA ALA 11 HA ALA 11 6.140 -1.570 8.201 92 HB1 ALA 11 HB1 ALA 11 4.454 -1.036 6.487 93 HB2 ALA 11 HB2 ALA 11 4.233 -2.758 6.154 94 HB3 ALA 11 HB3 ALA 11 5.776 -1.980 5.799 95 H LEU 12 H LEU 12 3.982 -4.345 8.551 96 HA LEU 12 HA LEU 12 1.649 -3.040 9.489 97 HB2 LEU 12 HB2 LEU 12 2.072 -5.491 8.582 98 HB3 LEU 12 HB3 LEU 12 2.303 -5.889 10.272 99 HG LEU 12 HG LEU 12 -0.241 -4.687 9.101 100 HD11 LEU 12 HD11 LEU 12 -1.228 -6.926 9.306 101 HD12 LEU 12 HD12 LEU 12 0.326 -7.574 9.840 102 HD13 LEU 12 HD13 LEU 12 0.152 -6.929 8.207 103 HD21 LEU 12 HD21 LEU 12 -0.031 -4.161 11.488 104 HD22 LEU 12 HD22 LEU 12 0.219 -5.867 11.864 105 HD23 LEU 12 HD23 LEU 12 -1.333 -5.321 11.220 106 H ILE 13 H ILE 13 4.341 -4.596 11.225 107 HA ILE 13 HA ILE 13 3.493 -4.247 13.864 108 HB ILE 13 HB ILE 13 6.262 -4.502 12.629 109 HG12 ILE 13 HG12 ILE 13 6.404 -6.582 13.966 110 HG13 ILE 13 HG13 ILE 13 4.890 -6.207 14.766 111 HG21 ILE 13 HG21 ILE 13 7.340 -4.499 14.873 112 HG22 ILE 13 HG22 ILE 13 5.819 -3.958 15.589 113 HG23 ILE 13 HG23 ILE 13 6.675 -2.917 14.449 114 HD11 ILE 13 HD11 ILE 13 5.235 -6.901 11.867 115 HD12 ILE 13 HD12 ILE 13 3.703 -6.547 12.672 116 HD13 ILE 13 HD13 ILE 13 4.648 -7.959 13.148 117 H ARG 14 H ARG 14 5.280 -2.045 11.739 118 HA ARG 14 HA ARG 14 5.559 0.085 13.628 119 HB2 ARG 14 HB2 ARG 14 6.008 -0.137 10.640 120 HB3 ARG 14 HB3 ARG 14 6.061 1.435 11.418 121 HG2 ARG 14 HG2 ARG 14 8.316 0.548 11.162 122 HG3 ARG 14 HG3 ARG 14 7.905 0.698 12.867 123 HD2 ARG 14 HD2 ARG 14 7.532 -1.706 13.032 124 HD3 ARG 14 HD3 ARG 14 7.782 -1.891 11.298 125 HE ARG 14 HE ARG 14 10.108 -1.250 11.632 126 HH11 ARG 14 HH11 ARG 14 8.428 -2.190 14.581 127 HH12 ARG 14 HH12 ARG 14 9.876 -2.772 15.336 128 HH21 ARG 14 HH21 ARG 14 11.965 -2.011 12.646 129 HH22 ARG 14 HH22 ARG 14 11.872 -2.668 14.251 130 H ARG 15 H ARG 15 3.032 -0.788 11.306 131 HA ARG 15 HA ARG 15 1.618 1.651 11.147 132 HB2 ARG 15 HB2 ARG 15 0.589 -1.212 10.942 133 HB3 ARG 15 HB3 ARG 15 -0.413 0.199 10.624 134 HG2 ARG 15 HG2 ARG 15 1.118 0.814 8.750 135 HG3 ARG 15 HG3 ARG 15 2.029 -0.666 9.040 136 HD2 ARG 15 HD2 ARG 15 0.006 -2.013 8.573 137 HD3 ARG 15 HD3 ARG 15 -0.918 -0.531 8.292 138 HE ARG 15 HE ARG 15 1.439 -1.024 6.608 139 HH11 ARG 15 HH11 ARG 15 -2.080 -0.933 6.830 140 HH12 ARG 15 HH12 ARG 15 -2.301 -1.100 5.118 141 HH21 ARG 15 HH21 ARG 15 1.108 -1.255 4.368 142 HH22 ARG 15 HH22 ARG 15 -0.506 -1.283 3.732 143 H VAL 16 H VAL 16 1.295 -1.108 13.395 144 HA VAL 16 HA VAL 16 -0.954 0.013 14.780 145 HB VAL 16 HB VAL 16 -0.942 -1.876 16.229 146 HG11 VAL 16 HG11 VAL 16 -1.622 -2.413 13.930 147 HG12 VAL 16 HG12 VAL 16 -0.868 -3.808 14.698 148 HG13 VAL 16 HG13 VAL 16 0.035 -2.852 13.517 149 HG21 VAL 16 HG21 VAL 16 1.428 -1.846 16.896 150 HG22 VAL 16 HG22 VAL 16 1.880 -2.538 15.337 151 HG23 VAL 16 HG23 VAL 16 0.889 -3.469 16.466 152 H PHE 17 H PHE 17 2.555 -0.095 15.412 153 HA PHE 17 HA PHE 17 2.447 1.044 18.025 154 HB2 PHE 17 HB2 PHE 17 4.671 0.641 16.012 155 HB3 PHE 17 HB3 PHE 17 4.962 1.649 17.424 156 HD1 PHE 17 HD2 PHE 17 4.443 0.579 19.754 157 HD2 PHE 17 HD1 PHE 17 4.990 -1.710 16.188 158 HE1 PHE 17 HE2 PHE 17 4.959 -1.416 21.098 159 HE2 PHE 17 HE1 PHE 17 5.493 -3.699 17.543 160 HZ PHE 17 HZ PHE 17 5.481 -3.553 19.996 161 H ALA 18 H ALA 18 2.521 2.426 14.786 162 HA ALA 18 HA ALA 18 2.873 5.160 15.493 163 HB1 ALA 18 HB1 ALA 18 3.115 4.373 13.174 164 HB2 ALA 18 HB2 ALA 18 1.904 5.652 13.264 165 HB3 ALA 18 HB3 ALA 18 1.400 3.965 13.113 166 H ALA 19 H ALA 19 0.093 3.011 15.407 167 HA ALA 19 HA ALA 19 -1.885 5.037 16.074 168 HB1 ALA 19 HB1 ALA 19 -3.463 3.141 16.088 169 HB2 ALA 19 HB2 ALA 19 -2.110 2.015 15.929 170 HB3 ALA 19 HB3 ALA 19 -2.471 3.147 14.627 171 H GLY 20 H GLY 20 0.335 3.108 17.846 172 HA2 GLY 20 HA2 GLY 20 0.777 3.616 20.149 173 HA3 GLY 20 HA3 GLY 20 -0.938 3.878 20.418 174 H GLY 21 H GLY 21 -1.020 1.218 18.600 175 HA2 GLY 21 HA2 GLY 21 -1.338 -0.630 20.799 176 HA3 GLY 21 HA3 GLY 21 -1.554 -0.973 19.090 177 H PHE 22 H PHE 22 -0.497 -3.009 19.963 178 HA PHE 22 HA PHE 22 2.475 -2.896 19.856 179 HB2 PHE 22 HB2 PHE 22 1.751 -3.504 22.137 180 HB3 PHE 22 HB3 PHE 22 0.692 -4.759 21.509 181 HD1 PHE 22 HD1 PHE 22 4.256 -3.804 22.011 182 HD2 PHE 22 HD2 PHE 22 1.568 -6.969 20.988 183 HE1 PHE 22 HE1 PHE 22 6.092 -5.428 22.199 184 HE2 PHE 22 HE2 PHE 22 3.413 -8.591 21.176 185 HZ PHE 22 HZ PHE 22 5.677 -7.820 21.782 186 H ALA 23 H ALA 23 3.480 -4.753 18.802 187 HA ALA 23 HA ALA 23 1.848 -6.803 17.572 188 HB1 ALA 23 HB1 ALA 23 2.640 -6.396 15.257 189 HB2 ALA 23 HB2 ALA 23 3.370 -4.877 15.789 190 HB3 ALA 23 HB3 ALA 23 1.621 -5.091 15.858 191 H ALA 24 H ALA 24 3.080 -8.492 16.583 192 HA ALA 24 HA ALA 24 5.937 -8.555 16.622 193 HB1 ALA 24 HB1 ALA 24 5.556 -8.801 19.062 194 HB2 ALA 24 HB2 ALA 24 6.261 -10.261 18.365 195 HB3 ALA 24 HB3 ALA 24 4.540 -10.215 18.763 196 H VAL 25 H VAL 25 6.623 -10.061 15.241 197 HA VAL 25 HA VAL 25 4.730 -11.681 13.775 198 HB VAL 25 HB VAL 25 7.759 -11.788 13.424 199 HG11 VAL 25 HG11 VAL 25 5.492 -12.230 11.454 200 HG12 VAL 25 HG12 VAL 25 6.488 -13.484 12.198 201 HG13 VAL 25 HG13 VAL 25 7.215 -12.328 11.080 202 HG21 VAL 25 HG21 VAL 25 7.573 -9.931 11.771 203 HG22 VAL 25 HG22 VAL 25 7.231 -9.417 13.423 204 HG23 VAL 25 HG23 VAL 25 5.906 -9.668 12.288 205 H GLU 26 H GLU 26 3.990 -13.346 15.003 206 HA GLU 26 HA GLU 26 5.554 -14.903 16.819 207 HB2 GLU 26 HB2 GLU 26 2.824 -15.549 15.597 208 HB3 GLU 26 HB3 GLU 26 3.539 -16.316 17.018 209 HG2 GLU 26 HG2 GLU 26 2.690 -13.410 16.774 210 HG3 GLU 26 HG3 GLU 26 1.843 -14.676 17.662 211 H LYS 27 H LYS 27 4.008 -15.789 13.710 212 HA LYS 27 HA LYS 27 6.057 -17.888 13.275 213 HB2 LYS 27 HB2 LYS 27 3.749 -18.771 13.465 214 HB3 LYS 27 HB3 LYS 27 3.217 -17.688 12.183 215 HG2 LYS 27 HG2 LYS 27 4.605 -18.876 10.554 216 HG3 LYS 27 HG3 LYS 27 5.241 -19.923 11.825 217 HD2 LYS 27 HD2 LYS 27 3.015 -20.885 12.186 218 HD3 LYS 27 HD3 LYS 27 2.308 -19.783 10.997 219 HE2 LYS 27 HE2 LYS 27 2.632 -22.031 10.053 220 HE3 LYS 27 HE3 LYS 27 3.641 -20.852 9.219 221 HZ1 LYS 27 HZ1 LYS 27 4.548 -22.752 11.305 222 HZ2 LYS 27 HZ2 LYS 27 5.526 -21.614 10.534 223 HZ3 LYS 27 HZ3 LYS 27 4.841 -22.877 9.647 224 H LYS 28 H LYS 28 7.054 -17.989 11.302 225 HA LYS 28 HA LYS 28 6.689 -15.769 9.383 226 HB2 LYS 28 HB2 LYS 28 8.811 -15.477 10.576 227 HB3 LYS 28 HB3 LYS 28 9.270 -17.150 10.268 228 HG2 LYS 28 HG2 LYS 28 9.439 -16.692 7.867 229 HG3 LYS 28 HG3 LYS 28 8.872 -15.043 8.120 230 HD2 LYS 28 HD2 LYS 28 10.909 -14.535 9.422 231 HD3 LYS 28 HD3 LYS 28 11.476 -16.196 9.195 232 HE2 LYS 28 HE2 LYS 28 11.577 -15.831 6.754 233 HE3 LYS 28 HE3 LYS 28 10.969 -14.186 6.962 234 HZ1 LYS 28 HZ1 LYS 28 13.376 -14.286 6.681 235 HZ2 LYS 28 HZ2 LYS 28 13.507 -15.219 8.088 236 HZ3 LYS 28 HZ3 LYS 28 12.944 -13.630 8.180 237 H GLY 29 H GLY 29 6.493 -16.365 7.267 238 HA2 GLY 29 HA2 GLY 29 6.955 -19.200 6.482 239 HA3 GLY 29 HA3 GLY 29 5.526 -18.304 5.984 240 H ALA 30 H ALA 30 5.789 -18.133 3.800 241 HA ALA 30 HA ALA 30 8.348 -17.754 2.538 242 HB1 ALA 30 HB1 ALA 30 6.595 -19.092 1.461 243 HB2 ALA 30 HB2 ALA 30 7.058 -17.739 0.431 244 HB3 ALA 30 HB3 ALA 30 5.549 -17.678 1.345 245 H GLU 31 H GLU 31 9.247 -15.865 1.827 246 HA GLU 31 HA GLU 31 8.300 -13.487 3.126 247 HB2 GLU 31 HB2 GLU 31 10.743 -13.925 1.366 248 HB3 GLU 31 HB3 GLU 31 10.431 -12.492 2.348 249 HG2 GLU 31 HG2 GLU 31 10.433 -13.966 4.385 250 HG3 GLU 31 HG3 GLU 31 10.911 -15.317 3.360 251 H ALA 32 H ALA 32 8.614 -14.521 -0.266 252 HA ALA 32 HA ALA 32 7.791 -11.932 -1.306 253 HB1 ALA 32 HB1 ALA 32 8.088 -12.927 -3.530 254 HB2 ALA 32 HB2 ALA 32 8.315 -14.519 -2.800 255 HB3 ALA 32 HB3 ALA 32 9.497 -13.243 -2.510 256 H ALA 33 H ALA 33 6.398 -15.236 -1.176 257 HA ALA 33 HA ALA 33 3.823 -14.206 -2.263 258 HB1 ALA 33 HB1 ALA 33 5.063 -16.945 -2.717 259 HB2 ALA 33 HB2 ALA 33 5.073 -15.611 -3.872 260 HB3 ALA 33 HB3 ALA 33 3.545 -16.359 -3.405 261 H GLY 34 H GLY 34 4.827 -14.859 0.636 262 HA2 GLY 34 HA2 GLY 34 3.359 -17.180 1.495 263 HA3 GLY 34 HA3 GLY 34 4.156 -16.002 2.525 264 H ALA 35 H ALA 35 1.522 -17.313 2.753 265 HA ALA 35 HA ALA 35 -0.495 -15.274 2.587 266 HB1 ALA 35 HB1 ALA 35 -1.822 -16.819 4.014 267 HB2 ALA 35 HB2 ALA 35 -0.393 -17.831 4.243 268 HB3 ALA 35 HB3 ALA 35 -1.107 -17.662 2.640 269 H ILE 36 H ILE 36 -1.453 -14.241 4.560 270 HA ILE 36 HA ILE 36 0.393 -13.892 6.843 271 HB ILE 36 HB ILE 36 -0.979 -11.501 5.544 272 HG12 ILE 36 HG12 ILE 36 0.769 -12.327 3.958 273 HG13 ILE 36 HG13 ILE 36 1.123 -10.722 4.588 274 HG21 ILE 36 HG21 ILE 36 -0.530 -11.253 7.928 275 HG22 ILE 36 HG22 ILE 36 0.499 -10.155 7.009 276 HG23 ILE 36 HG23 ILE 36 1.174 -11.644 7.679 277 HD11 ILE 36 HD11 ILE 36 2.706 -11.773 6.181 278 HD12 ILE 36 HD12 ILE 36 3.127 -11.987 4.494 279 HD13 ILE 36 HD13 ILE 36 2.412 -13.319 5.392 280 H PHE 37 H PHE 37 -0.933 -14.749 8.406 281 HA PHE 37 HA PHE 37 -3.715 -13.766 8.577 282 HB2 PHE 37 HB2 PHE 37 -2.447 -16.363 9.516 283 HB3 PHE 37 HB3 PHE 37 -4.004 -15.813 10.136 284 HD1 PHE 37 HD1 PHE 37 -2.232 -16.936 7.064 285 HD2 PHE 37 HD2 PHE 37 -6.006 -15.880 8.776 286 HE1 PHE 37 HE1 PHE 37 -3.385 -17.787 5.063 287 HE2 PHE 37 HE2 PHE 37 -7.148 -16.741 6.774 288 HZ PHE 37 HZ PHE 37 -5.841 -17.693 4.918 289 H VAL 38 H VAL 38 -3.977 -12.220 9.924 290 HA VAL 38 HA VAL 38 -2.070 -11.696 12.112 291 HB VAL 38 HB VAL 38 -3.917 -9.741 10.646 292 HG11 VAL 38 HG11 VAL 38 -2.621 -7.966 11.794 293 HG12 VAL 38 HG12 VAL 38 -1.720 -9.201 12.677 294 HG13 VAL 38 HG13 VAL 38 -3.453 -9.012 12.948 295 HG21 VAL 38 HG21 VAL 38 -0.914 -10.102 10.354 296 HG22 VAL 38 HG22 VAL 38 -1.883 -8.854 9.569 297 HG23 VAL 38 HG23 VAL 38 -2.127 -10.551 9.151 298 H ARG 39 H ARG 39 -2.836 -11.809 14.099 299 HA ARG 39 HA ARG 39 -5.732 -12.085 14.597 300 HB2 ARG 39 HB2 ARG 39 -4.962 -13.308 16.694 301 HB3 ARG 39 HB3 ARG 39 -4.584 -14.113 15.174 302 HG2 ARG 39 HG2 ARG 39 -2.239 -13.265 15.334 303 HG3 ARG 39 HG3 ARG 39 -2.635 -12.540 16.891 304 HD2 ARG 39 HD2 ARG 39 -2.718 -15.512 16.258 305 HD3 ARG 39 HD3 ARG 39 -1.443 -14.675 17.158 306 HE ARG 39 HE ARG 39 -4.235 -14.625 18.125 307 HH11 ARG 39 HH11 ARG 39 -0.875 -15.472 18.723 308 HH12 ARG 39 HH12 ARG 39 -1.172 -15.921 20.368 309 HH21 ARG 39 HH21 ARG 39 -4.594 -15.198 20.256 310 HH22 ARG 39 HH22 ARG 39 -3.283 -15.787 21.231 311 H GLN 40 H GLN 40 -6.505 -10.178 15.215 312 HA GLN 40 HA GLN 40 -4.933 -8.209 16.649 313 HB2 GLN 40 HB2 GLN 40 -6.526 -7.457 14.918 314 HB3 GLN 40 HB3 GLN 40 -7.866 -8.143 15.840 315 HG2 GLN 40 HG2 GLN 40 -7.221 -6.583 17.732 316 HG3 GLN 40 HG3 GLN 40 -6.082 -5.821 16.625 317 HE21 GLN 40 HE21 GLN 40 -8.303 -4.674 18.005 318 HE22 GLN 40 HE22 GLN 40 -9.363 -4.023 16.806 319 H ARG 41 H ARG 41 -4.600 -8.642 18.733 320 HA ARG 41 HA ARG 41 -6.561 -9.699 20.533 321 HB2 ARG 41 HB2 ARG 41 -4.066 -9.924 20.792 322 HB3 ARG 41 HB3 ARG 41 -3.990 -8.201 21.134 323 HG2 ARG 41 HG2 ARG 41 -5.202 -8.456 23.190 324 HG3 ARG 41 HG3 ARG 41 -5.634 -10.126 22.806 325 HD2 ARG 41 HD2 ARG 41 -2.810 -9.114 23.319 326 HD3 ARG 41 HD3 ARG 41 -3.808 -10.000 24.480 327 HE ARG 41 HE ARG 41 -3.790 -11.876 22.867 328 HH11 ARG 41 HH11 ARG 41 -1.190 -9.543 22.675 329 HH12 ARG 41 HH12 ARG 41 -0.082 -10.645 21.923 330 HH21 ARG 41 HH21 ARG 41 -2.346 -13.327 21.865 331 HH22 ARG 41 HH22 ARG 41 -0.742 -12.799 21.463 332 H LEU 42 H LEU 42 -8.374 -8.462 20.678 333 HA LEU 42 HA LEU 42 -8.524 -5.616 20.782 334 HB2 LEU 42 HB2 LEU 42 -10.455 -7.816 21.616 335 HB3 LEU 42 HB3 LEU 42 -10.845 -6.131 21.878 336 HG LEU 42 HG LEU 42 -11.959 -7.025 19.887 337 HD11 LEU 42 HD11 LEU 42 -9.890 -4.927 19.192 338 HD12 LEU 42 HD12 LEU 42 -11.468 -4.655 19.935 339 HD13 LEU 42 HD13 LEU 42 -11.372 -5.270 18.289 340 HD21 LEU 42 HD21 LEU 42 -10.710 -7.622 17.858 341 HD22 LEU 42 HD22 LEU 42 -10.377 -8.718 19.194 342 HD23 LEU 42 HD23 LEU 42 -9.191 -7.486 18.750 343 H ARG 43 H ARG 43 -8.637 -4.234 22.529 344 HA ARG 43 HA ARG 43 -7.361 -4.889 24.974 345 HB2 ARG 43 HB2 ARG 43 -7.981 -2.614 25.696 346 HB3 ARG 43 HB3 ARG 43 -7.347 -2.602 24.053 347 HG2 ARG 43 HG2 ARG 43 -9.577 -2.350 23.133 348 HG3 ARG 43 HG3 ARG 43 -10.307 -2.548 24.727 349 HD2 ARG 43 HD2 ARG 43 -9.231 -0.448 25.469 350 HD3 ARG 43 HD3 ARG 43 -8.524 -0.245 23.860 351 HE ARG 43 HE ARG 43 -11.217 -0.509 23.403 352 HH11 ARG 43 HH11 ARG 43 -9.299 1.714 25.333 353 HH12 ARG 43 HH12 ARG 43 -10.407 3.030 25.127 354 HH21 ARG 43 HH21 ARG 43 -12.647 1.213 23.143 355 HH22 ARG 43 HH22 ARG 43 -12.309 2.739 23.893 356 H ASP 44 H ASP 44 -10.614 -5.282 23.914 357 HA ASP 44 HA ASP 44 -11.934 -5.310 26.472 358 HB2 ASP 44 HB2 ASP 44 -13.086 -4.859 24.290 359 HB3 ASP 44 HB3 ASP 44 -12.814 -6.530 23.817 360 H GLY 45 H GLY 45 -9.824 -7.502 24.948 361 HA2 GLY 45 HA2 GLY 45 -8.992 -9.500 25.913 362 HA3 GLY 45 HA3 GLY 45 -10.487 -9.683 26.821 363 H ARG 46 H ARG 46 -10.956 -8.817 23.577 364 HA ARG 46 HA ARG 46 -11.694 -11.568 22.782 365 HB2 ARG 46 HB2 ARG 46 -12.412 -8.969 21.354 366 HB3 ARG 46 HB3 ARG 46 -13.105 -10.565 21.086 367 HG2 ARG 46 HG2 ARG 46 -13.465 -8.821 23.550 368 HG3 ARG 46 HG3 ARG 46 -14.669 -9.136 22.297 369 HD2 ARG 46 HD2 ARG 46 -14.798 -11.475 22.945 370 HD3 ARG 46 HD3 ARG 46 -13.476 -11.272 24.102 371 HE ARG 46 HE ARG 46 -15.494 -9.452 24.781 372 HH11 ARG 46 HH11 ARG 46 -15.093 -12.947 24.727 373 HH12 ARG 46 HH12 ARG 46 -16.167 -13.197 26.065 374 HH21 ARG 46 HH21 ARG 46 -16.915 -9.822 26.510 375 HH22 ARG 46 HH22 ARG 46 -17.197 -11.440 27.064 376 H GLU 47 H GLU 47 -11.425 -11.756 20.230 377 HA GLU 47 HA GLU 47 -9.042 -10.479 19.208 378 HB2 GLU 47 HB2 GLU 47 -9.187 -13.461 19.690 379 HB3 GLU 47 HB3 GLU 47 -8.252 -12.834 18.336 380 HG2 GLU 47 HG2 GLU 47 -7.007 -11.389 20.008 381 HG3 GLU 47 HG3 GLU 47 -7.794 -12.320 21.284 382 H ASN 48 H ASN 48 -8.982 -10.261 17.067 383 HA ASN 48 HA ASN 48 -11.082 -11.489 15.379 384 HB2 ASN 48 HB2 ASN 48 -9.584 -8.843 15.070 385 HB3 ASN 48 HB3 ASN 48 -10.461 -9.577 13.740 386 HD21 ASN 48 HD21 ASN 48 -11.528 -9.424 17.130 387 HD22 ASN 48 HD22 ASN 48 -12.878 -8.399 16.826 388 H LEU 49 H LEU 49 -10.311 -12.084 13.189 389 HA LEU 49 HA LEU 49 -7.410 -12.553 12.952 390 HB2 LEU 49 HB2 LEU 49 -9.221 -14.622 13.388 391 HB3 LEU 49 HB3 LEU 49 -9.117 -14.614 11.647 392 HG LEU 49 HG LEU 49 -6.723 -14.861 13.495 393 HD11 LEU 49 HD11 LEU 49 -8.172 -17.052 12.006 394 HD12 LEU 49 HD12 LEU 49 -8.127 -16.818 13.751 395 HD13 LEU 49 HD13 LEU 49 -6.652 -17.243 12.886 396 HD21 LEU 49 HD21 LEU 49 -6.101 -13.917 11.330 397 HD22 LEU 49 HD22 LEU 49 -6.912 -15.245 10.492 398 HD23 LEU 49 HD23 LEU 49 -5.479 -15.561 11.478 399 H TYR 50 H TYR 50 -6.614 -12.235 10.925 400 HA TYR 50 HA TYR 50 -8.397 -11.259 8.798 401 HB2 TYR 50 HB2 TYR 50 -5.782 -9.936 9.693 402 HB3 TYR 50 HB3 TYR 50 -6.825 -9.390 8.377 403 HD1 TYR 50 HD1 TYR 50 -9.233 -8.718 8.953 404 HD2 TYR 50 HD2 TYR 50 -6.208 -9.151 11.935 405 HE1 TYR 50 HE1 TYR 50 -10.601 -7.442 10.522 406 HE2 TYR 50 HE2 TYR 50 -7.596 -7.851 13.497 407 HH TYR 50 HH TYR 50 -9.424 -6.175 13.385 408 H GLY 51 H GLY 51 -7.619 -11.640 6.690 409 HA2 GLY 51 HA2 GLY 51 -5.147 -13.226 6.375 410 HA3 GLY 51 HA3 GLY 51 -6.679 -13.947 5.881 411 HA PRO 52 HA PRO 52 -4.840 -11.095 2.488 412 HB2 PRO 52 HB2 PRO 52 -3.789 -12.963 0.771 413 HB3 PRO 52 HB3 PRO 52 -2.858 -12.251 2.096 414 HG2 PRO 52 HG2 PRO 52 -4.291 -14.904 1.996 415 HG3 PRO 52 HG3 PRO 52 -2.658 -14.543 2.601 416 HD2 PRO 52 HD2 PRO 52 -4.793 -14.823 4.265 417 HD3 PRO 52 HD3 PRO 52 -3.459 -13.706 4.625 418 H ALA 53 H ALA 53 -6.762 -10.484 1.679 419 HA ALA 53 HA ALA 53 -8.903 -12.152 0.879 420 HB1 ALA 53 HB1 ALA 53 -8.394 -9.226 0.177 421 HB2 ALA 53 HB2 ALA 53 -9.247 -9.815 1.602 422 HB3 ALA 53 HB3 ALA 53 -9.939 -10.074 0.001 423 HA PRO 54 HA PRO 54 -7.852 -13.126 -3.432 424 HB2 PRO 54 HB2 PRO 54 -10.366 -13.014 -4.613 425 HB3 PRO 54 HB3 PRO 54 -9.796 -14.381 -3.648 426 HG2 PRO 54 HG2 PRO 54 -11.546 -12.076 -2.818 427 HG3 PRO 54 HG3 PRO 54 -11.732 -13.806 -2.458 428 HD2 PRO 54 HD2 PRO 54 -10.701 -12.103 -0.635 429 HD3 PRO 54 HD3 PRO 54 -10.093 -13.765 -0.780 430 H GLN 55 H GLN 55 -6.734 -11.607 -4.509 431 HA GLN 55 HA GLN 55 -7.358 -8.847 -4.574 432 HB2 GLN 55 HB2 GLN 55 -5.039 -9.704 -4.809 433 HB3 GLN 55 HB3 GLN 55 -5.449 -10.434 -6.352 434 HG2 GLN 55 HG2 GLN 55 -4.207 -8.430 -6.793 435 HG3 GLN 55 HG3 GLN 55 -5.873 -8.146 -7.282 436 HE21 GLN 55 HE21 GLN 55 -3.754 -6.221 -6.617 437 HE22 GLN 55 HE22 GLN 55 -4.371 -5.233 -5.342 438 H SER 56 H SER 56 -8.567 -7.671 -5.965 439 HA SER 56 HA SER 56 -10.060 -8.905 -8.117 440 HB2 SER 56 HB2 SER 56 -9.815 -5.955 -7.348 441 HB3 SER 56 HB3 SER 56 -11.038 -6.659 -8.410 442 HG SER 56 HG SER 56 -11.381 -8.050 -6.361 443 H PHE 57 H PHE 57 -8.531 -9.612 -9.632 444 HA PHE 57 HA PHE 57 -6.911 -7.522 -10.974 445 HB2 PHE 57 HB2 PHE 57 -5.234 -9.264 -11.543 446 HB3 PHE 57 HB3 PHE 57 -5.383 -9.000 -9.813 447 HD1 PHE 57 HD1 PHE 57 -6.089 -11.405 -12.573 448 HD2 PHE 57 HD2 PHE 57 -6.076 -10.777 -8.348 449 HE1 PHE 57 HE1 PHE 57 -6.308 -13.826 -12.208 450 HE2 PHE 57 HE2 PHE 57 -6.301 -13.197 -7.991 451 HZ PHE 57 HZ PHE 57 -6.418 -14.724 -9.919 452 H ALA 58 H ALA 58 -6.835 -7.450 -13.149 453 HA ALA 58 HA ALA 58 -8.531 -9.295 -14.726 454 HB1 ALA 58 HB1 ALA 58 -8.599 -7.505 -16.425 455 HB2 ALA 58 HB2 ALA 58 -7.570 -6.489 -15.407 456 HB3 ALA 58 HB3 ALA 58 -9.189 -6.930 -14.866 457 H ASP 59 H ASP 59 -7.196 -10.914 -15.218 458 HA ASP 59 HA ASP 59 -5.585 -12.177 -16.140 459 HB2 ASP 59 HB2 ASP 59 -6.300 -10.599 -18.128 460 HB3 ASP 59 HB3 ASP 59 -4.730 -9.846 -17.891 461 H ASP 60 H ASP 60 -4.972 -10.893 -13.784 462 HA ASP 60 HA ASP 60 -3.357 -10.871 -12.230 463 HB2 ASP 60 HB2 ASP 60 -1.534 -11.866 -14.449 464 HB3 ASP 60 HB3 ASP 60 -1.063 -11.765 -12.756 465 H GLU 61 H GLU 61 -3.637 -8.585 -14.413 466 HA GLU 61 HA GLU 61 -1.203 -7.133 -14.330 467 HB2 GLU 61 HB2 GLU 61 -4.071 -6.221 -14.768 468 HB3 GLU 61 HB3 GLU 61 -2.673 -5.159 -14.950 469 HG2 GLU 61 HG2 GLU 61 -3.216 -7.675 -16.563 470 HG3 GLU 61 HG3 GLU 61 -3.475 -6.019 -17.111 471 H ASP 62 H ASP 62 -4.178 -6.863 -12.352 472 HA ASP 62 HA ASP 62 -3.314 -4.651 -10.784 473 HB2 ASP 62 HB2 ASP 62 -5.513 -6.652 -10.166 474 HB3 ASP 62 HB3 ASP 62 -5.282 -5.101 -9.358 475 H ILE 63 H ILE 63 -2.416 -7.932 -10.557 476 HA ILE 63 HA ILE 63 -1.792 -8.221 -7.814 477 HB ILE 63 HB ILE 63 -0.212 -9.317 -10.206 478 HG12 ILE 63 HG12 ILE 63 -2.542 -10.044 -10.350 479 HG13 ILE 63 HG13 ILE 63 -1.547 -11.419 -9.891 480 HG21 ILE 63 HG21 ILE 63 -0.208 -10.299 -7.322 481 HG22 ILE 63 HG22 ILE 63 1.116 -9.473 -8.145 482 HG23 ILE 63 HG23 ILE 63 0.619 -11.081 -8.672 483 HD11 ILE 63 HD11 ILE 63 -3.336 -9.791 -8.099 484 HD12 ILE 63 HD12 ILE 63 -2.261 -11.078 -7.541 485 HD13 ILE 63 HD13 ILE 63 -3.580 -11.448 -8.648 486 H MET 64 H MET 64 -0.226 -6.536 -10.435 487 HA MET 64 HA MET 64 2.070 -5.685 -8.793 488 HB2 MET 64 HB2 MET 64 1.578 -5.681 -11.805 489 HB3 MET 64 HB3 MET 64 3.031 -5.030 -11.044 490 HG2 MET 64 HG2 MET 64 3.788 -7.156 -10.385 491 HG3 MET 64 HG3 MET 64 2.188 -7.885 -10.527 492 HE1 MET 64 HE1 MET 64 1.756 -8.449 -14.314 493 HE2 MET 64 HE2 MET 64 1.086 -7.162 -13.313 494 HE3 MET 64 HE3 MET 64 1.157 -8.813 -12.695 495 H ARG 65 H ARG 65 -0.834 -4.475 -10.363 496 HA ARG 65 HA ARG 65 -0.032 -1.700 -10.352 497 HB2 ARG 65 HB2 ARG 65 -2.906 -2.694 -10.532 498 HB3 ARG 65 HB3 ARG 65 -2.269 -1.136 -11.055 499 HG2 ARG 65 HG2 ARG 65 -1.899 -3.843 -12.351 500 HG3 ARG 65 HG3 ARG 65 -2.652 -2.404 -13.027 501 HD2 ARG 65 HD2 ARG 65 -0.479 -1.302 -13.188 502 HD3 ARG 65 HD3 ARG 65 0.307 -2.664 -12.371 503 HE ARG 65 HE ARG 65 -1.102 -3.229 -14.885 504 HH11 ARG 65 HH11 ARG 65 1.988 -2.711 -13.286 505 HH12 ARG 65 HH12 ARG 65 2.904 -3.402 -14.582 506 HH21 ARG 65 HH21 ARG 65 0.118 -4.218 -16.531 507 HH22 ARG 65 HH22 ARG 65 1.847 -4.276 -16.411 508 H ALA 66 H ALA 66 -1.597 -3.853 -8.103 509 HA ALA 66 HA ALA 66 -1.247 -1.935 -5.929 510 HB1 ALA 66 HB1 ALA 66 -3.951 -3.245 -6.451 511 HB2 ALA 66 HB2 ALA 66 -3.594 -1.528 -6.655 512 HB3 ALA 66 HB3 ALA 66 -3.532 -2.256 -5.048 513 H GLU 67 H GLU 67 -1.065 -2.986 -3.893 514 HA GLU 67 HA GLU 67 -0.264 -5.743 -3.910 515 HB2 GLU 67 HB2 GLU 67 0.182 -5.533 -1.532 516 HB3 GLU 67 HB3 GLU 67 0.766 -4.085 -2.331 517 HG2 GLU 67 HG2 GLU 67 -1.821 -4.294 -0.753 518 HG3 GLU 67 HG3 GLU 67 -0.301 -3.643 -0.143 519 H ARG 68 H ARG 68 -1.360 -7.522 -2.876 520 HA ARG 68 HA ARG 68 -4.186 -7.510 -3.200 521 HB2 ARG 68 HB2 ARG 68 -4.154 -9.834 -2.382 522 HB3 ARG 68 HB3 ARG 68 -2.926 -9.557 -3.610 523 HG2 ARG 68 HG2 ARG 68 -1.179 -9.490 -1.872 524 HG3 ARG 68 HG3 ARG 68 -2.407 -9.715 -0.620 525 HD2 ARG 68 HD2 ARG 68 -1.648 -11.696 -2.800 526 HD3 ARG 68 HD3 ARG 68 -1.346 -11.852 -1.065 527 HE ARG 68 HE ARG 68 -4.017 -11.620 -1.116 528 HH11 ARG 68 HH11 ARG 68 -1.905 -13.700 -2.996 529 HH12 ARG 68 HH12 ARG 68 -3.105 -14.937 -3.176 530 HH21 ARG 68 HH21 ARG 68 -5.576 -13.233 -1.361 531 HH22 ARG 68 HH22 ARG 68 -5.188 -14.681 -2.239 532 H ARG 69 H ARG 69 -5.681 -6.872 -1.868 533 HA ARG 69 HA ARG 69 -5.102 -5.737 0.672 534 HB2 ARG 69 HB2 ARG 69 -6.855 -5.115 -1.201 535 HB3 ARG 69 HB3 ARG 69 -7.899 -6.237 -0.358 536 HG2 ARG 69 HG2 ARG 69 -8.368 -4.739 1.286 537 HG3 ARG 69 HG3 ARG 69 -6.670 -4.307 1.492 538 HD2 ARG 69 HD2 ARG 69 -8.519 -3.229 -0.665 539 HD3 ARG 69 HD3 ARG 69 -7.998 -2.365 0.790 540 HE ARG 69 HE ARG 69 -5.642 -2.999 -0.309 541 HH11 ARG 69 HH11 ARG 69 -8.450 -1.533 -1.811 542 HH12 ARG 69 HH12 ARG 69 -7.499 -0.669 -2.978 543 HH21 ARG 69 HH21 ARG 69 -4.428 -1.894 -1.857 544 HH22 ARG 69 HH22 ARG 69 -5.238 -0.881 -3.008 545 H PHE 70 H PHE 70 -6.535 -6.265 2.606 546 HA PHE 70 HA PHE 70 -6.579 -9.189 3.034 547 HB2 PHE 70 HB2 PHE 70 -5.985 -6.847 4.868 548 HB3 PHE 70 HB3 PHE 70 -6.536 -8.378 5.542 549 HD1 PHE 70 HD1 PHE 70 -4.149 -7.515 2.770 550 HD2 PHE 70 HD2 PHE 70 -4.740 -9.517 6.498 551 HE1 PHE 70 HE1 PHE 70 -1.881 -8.439 2.627 552 HE2 PHE 70 HE2 PHE 70 -2.468 -10.429 6.347 553 HZ PHE 70 HZ PHE 70 -1.045 -9.895 4.413 554 H GLU 71 H GLU 71 -8.109 -9.761 4.890 555 HA GLU 71 HA GLU 71 -10.726 -8.453 4.732 556 HB2 GLU 71 HB2 GLU 71 -11.850 -10.579 4.176 557 HB3 GLU 71 HB3 GLU 71 -10.742 -10.109 2.893 558 HG2 GLU 71 HG2 GLU 71 -9.121 -11.765 3.585 559 HG3 GLU 71 HG3 GLU 71 -10.052 -12.151 5.033 560 H THR 72 H THR 72 -12.203 -9.320 6.384 561 HA THR 72 HA THR 72 -10.776 -10.010 8.842 562 HB THR 72 HB THR 72 -13.691 -9.183 8.458 563 HG1 THR 72 HG1 THR 72 -12.018 -7.334 9.565 564 HG21 THR 72 HG21 THR 72 -13.616 -8.606 10.858 565 HG22 THR 72 HG22 THR 72 -11.951 -9.178 10.959 566 HG23 THR 72 HG23 THR 72 -13.257 -10.323 10.638 567 H ARG 73 H ARG 73 -10.500 -12.193 9.059 568 HA ARG 73 HA ARG 73 -12.264 -14.182 7.958 569 HB2 ARG 73 HB2 ARG 73 -9.949 -14.564 9.916 570 HB3 ARG 73 HB3 ARG 73 -10.711 -15.819 8.940 571 HG2 ARG 73 HG2 ARG 73 -9.080 -13.475 7.891 572 HG3 ARG 73 HG3 ARG 73 -8.534 -15.152 8.007 573 HD2 ARG 73 HD2 ARG 73 -10.846 -14.180 6.274 574 HD3 ARG 73 HD3 ARG 73 -9.208 -14.495 5.696 575 HE ARG 73 HE ARG 73 -9.793 -16.859 6.747 576 HH11 ARG 73 HH11 ARG 73 -11.856 -14.856 4.714 577 HH12 ARG 73 HH12 ARG 73 -12.625 -16.221 3.983 578 HH21 ARG 73 HH21 ARG 73 -10.842 -18.615 5.776 579 HH22 ARG 73 HH22 ARG 73 -12.061 -18.329 4.578 580 H LEU 74 H LEU 74 -11.179 -13.595 11.333 581 HA LEU 74 HA LEU 74 -13.867 -14.378 12.342 582 HB2 LEU 74 HB2 LEU 74 -11.151 -14.552 13.717 583 HB3 LEU 74 HB3 LEU 74 -12.686 -14.957 14.478 584 HG LEU 74 HG LEU 74 -11.536 -16.418 12.058 585 HD11 LEU 74 HD11 LEU 74 -10.097 -16.774 13.992 586 HD12 LEU 74 HD12 LEU 74 -10.970 -18.248 13.590 587 HD13 LEU 74 HD13 LEU 74 -11.481 -17.271 14.971 588 HD21 LEU 74 HD21 LEU 74 -13.255 -18.133 12.542 589 HD22 LEU 74 HD22 LEU 74 -13.983 -16.572 12.173 590 HD23 LEU 74 HD23 LEU 74 -13.897 -17.129 13.848 591 H ALA 75 H ALA 75 -14.582 -13.191 14.301 592 HA ALA 75 HA ALA 75 -13.319 -10.636 14.866 593 HB1 ALA 75 HB1 ALA 75 -16.139 -10.732 13.735 594 HB2 ALA 75 HB2 ALA 75 -14.714 -10.136 12.884 595 HB3 ALA 75 HB3 ALA 75 -15.300 -9.290 14.317 596 H GLY 76 H GLY 76 -13.321 -10.472 17.001 597 HA2 GLY 76 HA2 GLY 76 -14.112 -10.117 19.127 598 HA3 GLY 76 HA3 GLY 76 -15.748 -10.341 18.525 599 H VAL 77 H VAL 77 -13.269 -12.743 18.122 600 HA VAL 77 HA VAL 77 -14.755 -14.677 19.771 601 HB VAL 77 HB VAL 77 -13.546 -16.413 18.485 602 HG11 VAL 77 HG11 VAL 77 -15.689 -15.585 17.598 603 HG12 VAL 77 HG12 VAL 77 -14.606 -16.038 16.280 604 HG13 VAL 77 HG13 VAL 77 -14.844 -14.333 16.679 605 HG21 VAL 77 HG21 VAL 77 -11.408 -15.249 18.055 606 HG22 VAL 77 HG22 VAL 77 -12.219 -14.120 16.968 607 HG23 VAL 77 HG23 VAL 77 -12.103 -15.828 16.537 608 H GLU 78 H GLU 78 -12.789 -16.534 20.327 609 HA GLU 78 HA GLU 78 -10.894 -15.100 22.096 610 HB2 GLU 78 HB2 GLU 78 -10.843 -17.207 23.420 611 HB3 GLU 78 HB3 GLU 78 -12.464 -16.528 23.299 612 HG2 GLU 78 HG2 GLU 78 -12.935 -18.170 21.448 613 HG3 GLU 78 HG3 GLU 78 -11.367 -18.908 21.773 614 H GLY 79 H GLY 79 -8.850 -16.398 22.534 615 HA2 GLY 79 HA2 GLY 79 -7.304 -16.639 20.180 616 HA3 GLY 79 HA3 GLY 79 -6.802 -17.105 21.798 617 H GLU 80 H GLU 80 -9.216 -18.972 21.861 618 HA GLU 80 HA GLU 80 -7.997 -21.375 20.922 619 HB2 GLU 80 HB2 GLU 80 -9.615 -21.183 22.849 620 HB3 GLU 80 HB3 GLU 80 -10.906 -20.881 21.698 621 HG2 GLU 80 HG2 GLU 80 -11.039 -23.165 22.379 622 HG3 GLU 80 HG3 GLU 80 -10.490 -23.133 20.702 623 H GLU 81 H GLU 81 -10.620 -19.294 19.712 624 HA GLU 81 HA GLU 81 -11.288 -20.851 17.404 625 HB2 GLU 81 HB2 GLU 81 -11.823 -17.926 18.067 626 HB3 GLU 81 HB3 GLU 81 -12.536 -18.786 16.699 627 HG2 GLU 81 HG2 GLU 81 -12.971 -19.388 19.649 628 HG3 GLU 81 HG3 GLU 81 -14.117 -18.622 18.549 629 H ILE 82 H ILE 82 -9.152 -18.139 18.047 630 HA ILE 82 HA ILE 82 -8.325 -17.531 15.427 631 HB ILE 82 HB ILE 82 -6.790 -17.268 18.054 632 HG12 ILE 82 HG12 ILE 82 -8.911 -15.999 18.079 633 HG13 ILE 82 HG13 ILE 82 -7.546 -14.895 18.035 634 HG21 ILE 82 HG21 ILE 82 -5.390 -15.586 16.898 635 HG22 ILE 82 HG22 ILE 82 -6.203 -15.961 15.375 636 HG23 ILE 82 HG23 ILE 82 -5.231 -17.190 16.184 637 HD11 ILE 82 HD11 ILE 82 -9.336 -15.623 15.719 638 HD12 ILE 82 HD12 ILE 82 -7.940 -14.544 15.634 639 HD13 ILE 82 HD13 ILE 82 -9.332 -14.110 16.626 640 H ALA 83 H ALA 83 -6.762 -19.572 17.905 641 HA ALA 83 HA ALA 83 -4.677 -20.617 16.310 642 HB1 ALA 83 HB1 ALA 83 -4.343 -22.232 18.131 643 HB2 ALA 83 HB2 ALA 83 -5.913 -21.797 18.816 644 HB3 ALA 83 HB3 ALA 83 -4.610 -20.608 18.773 645 H ALA 84 H ALA 84 -8.004 -21.592 16.805 646 HA ALA 84 HA ALA 84 -7.985 -24.205 15.782 647 HB1 ALA 84 HB1 ALA 84 -9.947 -23.255 16.922 648 HB2 ALA 84 HB2 ALA 84 -10.384 -23.905 15.342 649 HB3 ALA 84 HB3 ALA 84 -10.221 -22.160 15.566 650 H LEU 85 H LEU 85 -8.365 -21.061 14.095 651 HA LEU 85 HA LEU 85 -8.577 -22.300 11.494 652 HB2 LEU 85 HB2 LEU 85 -9.658 -20.108 11.949 653 HB3 LEU 85 HB3 LEU 85 -8.079 -19.381 12.159 654 HG LEU 85 HG LEU 85 -7.984 -20.695 9.623 655 HD11 LEU 85 HD11 LEU 85 -10.334 -20.890 9.554 656 HD12 LEU 85 HD12 LEU 85 -9.784 -19.736 8.342 657 HD13 LEU 85 HD13 LEU 85 -10.548 -19.157 9.829 658 HD21 LEU 85 HD21 LEU 85 -6.693 -18.748 10.093 659 HD22 LEU 85 HD22 LEU 85 -8.145 -17.744 10.254 660 HD23 LEU 85 HD23 LEU 85 -7.710 -18.430 8.684 661 H LEU 86 H LEU 86 -6.027 -20.624 13.329 662 HA LEU 86 HA LEU 86 -4.090 -20.302 11.343 663 HB2 LEU 86 HB2 LEU 86 -3.664 -20.833 14.311 664 HB3 LEU 86 HB3 LEU 86 -2.397 -20.305 13.211 665 HG LEU 86 HG LEU 86 -4.871 -18.698 13.961 666 HD11 LEU 86 HD11 LEU 86 -3.303 -17.220 15.150 667 HD12 LEU 86 HD12 LEU 86 -1.972 -18.316 14.771 668 HD13 LEU 86 HD13 LEU 86 -3.294 -18.855 15.810 669 HD21 LEU 86 HD21 LEU 86 -3.855 -16.841 12.702 670 HD22 LEU 86 HD22 LEU 86 -4.201 -18.212 11.653 671 HD23 LEU 86 HD23 LEU 86 -2.543 -17.902 12.176 672 H GLU 87 H GLU 87 -4.931 -23.151 13.239 673 HA GLU 87 HA GLU 87 -2.651 -24.717 12.407 674 HB2 GLU 87 HB2 GLU 87 -3.465 -26.463 13.767 675 HB3 GLU 87 HB3 GLU 87 -3.962 -25.010 14.606 676 HG2 GLU 87 HG2 GLU 87 -5.935 -26.134 14.784 677 HG3 GLU 87 HG3 GLU 87 -6.225 -25.440 13.202 678 H ARG 88 H ARG 88 -5.917 -24.149 11.241 679 HA ARG 88 HA ARG 88 -6.038 -26.420 9.484 680 HB2 ARG 88 HB2 ARG 88 -7.695 -23.854 9.529 681 HB3 ARG 88 HB3 ARG 88 -8.065 -25.269 8.543 682 HG2 ARG 88 HG2 ARG 88 -8.472 -26.615 10.516 683 HG3 ARG 88 HG3 ARG 88 -7.917 -25.319 11.568 684 HD2 ARG 88 HD2 ARG 88 -10.295 -25.314 11.691 685 HD3 ARG 88 HD3 ARG 88 -9.854 -23.920 10.707 686 HE ARG 88 HE ARG 88 -10.424 -25.292 8.725 687 HH11 ARG 88 HH11 ARG 88 -11.834 -26.158 11.824 688 HH12 ARG 88 HH12 ARG 88 -13.190 -26.968 11.113 689 HH21 ARG 88 HH21 ARG 88 -12.188 -26.386 7.810 690 HH22 ARG 88 HH22 ARG 88 -13.390 -27.100 8.834 691 H GLU 89 H GLU 89 -5.152 -23.013 9.201 692 HA GLU 89 HA GLU 89 -4.850 -22.972 6.353 693 HB2 GLU 89 HB2 GLU 89 -3.932 -20.974 8.465 694 HB3 GLU 89 HB3 GLU 89 -3.847 -20.703 6.720 695 HG2 GLU 89 HG2 GLU 89 -6.332 -21.047 8.415 696 HG3 GLU 89 HG3 GLU 89 -5.775 -19.578 7.615 697 H ARG 90 H ARG 90 -2.645 -23.233 9.128 698 HA ARG 90 HA ARG 90 -0.241 -23.306 7.617 699 HB2 ARG 90 HB2 ARG 90 0.925 -23.926 9.560 700 HB3 ARG 90 HB3 ARG 90 -0.429 -22.972 10.149 701 HG2 ARG 90 HG2 ARG 90 -1.609 -25.091 10.738 702 HG3 ARG 90 HG3 ARG 90 -0.185 -25.995 10.226 703 HD2 ARG 90 HD2 ARG 90 1.143 -24.677 11.941 704 HD3 ARG 90 HD3 ARG 90 -0.393 -24.036 12.531 705 HE ARG 90 HE ARG 90 -1.049 -26.313 13.114 706 HH11 ARG 90 HH11 ARG 90 2.366 -25.852 12.434 707 HH12 ARG 90 HH12 ARG 90 2.860 -27.221 13.378 708 HH21 ARG 90 HH21 ARG 90 -0.383 -28.104 14.353 709 HH22 ARG 90 HH22 ARG 90 1.303 -28.495 14.457 710 H ARG 91 H ARG 91 -2.608 -25.748 8.310 711 HA ARG 91 HA ARG 91 -1.206 -28.107 7.726 712 HB2 ARG 91 HB2 ARG 91 -3.441 -28.071 8.797 713 HB3 ARG 91 HB3 ARG 91 -4.156 -27.459 7.315 714 HG2 ARG 91 HG2 ARG 91 -4.649 -29.822 7.557 715 HG3 ARG 91 HG3 ARG 91 -3.597 -29.570 6.165 716 HD2 ARG 91 HD2 ARG 91 -1.646 -30.251 7.541 717 HD3 ARG 91 HD3 ARG 91 -2.737 -30.566 8.901 718 HE ARG 91 HE ARG 91 -3.469 -31.992 6.509 719 HH11 ARG 91 HH11 ARG 91 -1.371 -32.172 9.337 720 HH12 ARG 91 HH12 ARG 91 -1.198 -33.891 9.229 721 HH21 ARG 91 HH21 ARG 91 -3.198 -34.239 6.380 722 HH22 ARG 91 HH22 ARG 91 -2.216 -35.059 7.552 723 H PHE 92 H PHE 92 -2.999 -25.898 5.600 724 HA PHE 92 HA PHE 92 -2.344 -27.362 3.187 725 HB2 PHE 92 HB2 PHE 92 -3.833 -24.759 3.735 726 HB3 PHE 92 HB3 PHE 92 -3.466 -25.286 2.101 727 HD1 PHE 92 HD2 PHE 92 -5.372 -26.158 5.169 728 HD2 PHE 92 HD1 PHE 92 -4.731 -27.040 1.037 729 HE1 PHE 92 HE2 PHE 92 -7.373 -27.591 5.160 730 HE2 PHE 92 HE1 PHE 92 -6.731 -28.473 1.034 731 HZ PHE 92 HZ PHE 92 -8.054 -28.752 3.093 732 H ASP 93 H ASP 93 -1.548 -24.169 4.537 733 HA ASP 93 HA ASP 93 1.010 -24.119 3.076 734 HB2 ASP 93 HB2 ASP 93 -0.954 -21.798 3.303 735 HB3 ASP 93 HB3 ASP 93 0.702 -21.637 2.722 736 H SER 94 H SER 94 2.248 -24.550 4.854 737 HA SER 94 HA SER 94 2.073 -23.113 7.337 738 HB2 SER 94 HB2 SER 94 3.076 -25.421 7.077 739 HB3 SER 94 HB3 SER 94 4.447 -24.689 6.244 740 HG SER 94 HG SER 94 5.155 -24.688 8.259 741 H ASP 95 H ASP 95 2.961 -22.167 4.308 742 HA ASP 95 HA ASP 95 5.094 -20.327 4.745 743 HB2 ASP 95 HB2 ASP 95 2.979 -20.460 2.547 744 HB3 ASP 95 HB3 ASP 95 4.445 -19.483 2.488 745 H LEU 96 H LEU 96 2.047 -20.189 6.105 746 HA LEU 96 HA LEU 96 1.487 -17.393 5.643 747 HB2 LEU 96 HB2 LEU 96 -0.385 -17.552 7.049 748 HB3 LEU 96 HB3 LEU 96 -0.323 -19.112 6.251 749 HG LEU 96 HG LEU 96 0.729 -18.657 9.071 750 HD11 LEU 96 HD11 LEU 96 -2.012 -19.701 8.312 751 HD12 LEU 96 HD12 LEU 96 -1.667 -18.114 9.007 752 HD13 LEU 96 HD13 LEU 96 -1.341 -19.573 9.944 753 HD21 LEU 96 HD21 LEU 96 -0.009 -21.213 7.633 754 HD22 LEU 96 HD22 LEU 96 0.565 -21.073 9.298 755 HD23 LEU 96 HD23 LEU 96 1.628 -20.636 7.963 756 H TRP 97 H TRP 97 1.685 -15.728 7.117 757 HA TRP 97 HA TRP 97 3.663 -16.036 9.291 758 HB2 TRP 97 HB2 TRP 97 2.675 -13.556 7.804 759 HB3 TRP 97 HB3 TRP 97 3.838 -13.534 9.125 760 HD1 TRP 97 HD1 TRP 97 3.700 -15.563 5.777 761 HE1 TRP 97 HE1 TRP 97 5.981 -15.325 4.635 762 HE3 TRP 97 HE3 TRP 97 5.963 -12.496 9.157 763 HZ2 TRP 97 HZ2 TRP 97 8.418 -14.005 5.083 764 HZ3 TRP 97 HZ3 TRP 97 8.278 -11.767 8.727 765 HH2 TRP 97 HH2 TRP 97 9.479 -12.509 6.730 766 H VAL 98 H VAL 98 2.872 -15.924 11.331 767 HA VAL 98 HA VAL 98 0.099 -14.974 11.747 768 HB VAL 98 HB VAL 98 1.783 -16.769 13.553 769 HG11 VAL 98 HG11 VAL 98 -0.306 -17.041 14.879 770 HG12 VAL 98 HG12 VAL 98 -1.100 -15.843 13.852 771 HG13 VAL 98 HG13 VAL 98 0.259 -15.367 14.873 772 HG21 VAL 98 HG21 VAL 98 0.190 -18.569 12.921 773 HG22 VAL 98 HG22 VAL 98 1.050 -17.954 11.508 774 HG23 VAL 98 HG23 VAL 98 -0.620 -17.464 11.806 775 H VAL 99 H VAL 99 -0.080 -13.024 12.584 776 HA VAL 99 HA VAL 99 2.164 -11.880 14.188 777 HB VAL 99 HB VAL 99 0.370 -10.159 12.445 778 HG11 VAL 99 HG11 VAL 99 3.150 -9.684 13.541 779 HG12 VAL 99 HG12 VAL 99 1.648 -8.981 14.144 780 HG13 VAL 99 HG13 VAL 99 2.240 -8.552 12.535 781 HG21 VAL 99 HG21 VAL 99 2.970 -11.415 11.495 782 HG22 VAL 99 HG22 VAL 99 2.035 -10.201 10.617 783 HG23 VAL 99 HG23 VAL 99 1.355 -11.806 10.896 784 H GLU 100 H GLU 100 1.427 -11.576 16.268 785 HA GLU 100 HA GLU 100 -1.409 -11.017 16.742 786 HB2 GLU 100 HB2 GLU 100 -0.876 -11.107 19.137 787 HB3 GLU 100 HB3 GLU 100 -0.296 -12.549 18.314 788 HG2 GLU 100 HG2 GLU 100 2.001 -11.732 18.414 789 HG3 GLU 100 HG3 GLU 100 1.455 -10.197 19.100 790 H ILE 101 H ILE 101 -2.176 -9.006 16.739 791 HA ILE 101 HA ILE 101 -0.386 -6.752 17.432 792 HB ILE 101 HB ILE 101 -1.759 -5.285 15.967 793 HG12 ILE 101 HG12 ILE 101 -3.084 -7.818 14.884 794 HG13 ILE 101 HG13 ILE 101 -3.872 -6.717 15.998 795 HG21 ILE 101 HG21 ILE 101 -0.883 -6.074 13.786 796 HG22 ILE 101 HG22 ILE 101 -0.578 -7.669 14.478 797 HG23 ILE 101 HG23 ILE 101 0.314 -6.268 15.065 798 HD11 ILE 101 HD11 ILE 101 -2.942 -6.056 13.221 799 HD12 ILE 101 HD12 ILE 101 -3.691 -4.922 14.351 800 HD13 ILE 101 HD13 ILE 101 -4.604 -6.308 13.755 801 H GLU 102 H GLU 102 -0.949 -5.746 19.266 802 HA GLU 102 HA GLU 102 -3.525 -6.395 20.536 803 HB2 GLU 102 HB2 GLU 102 -1.226 -6.735 21.711 804 HB3 GLU 102 HB3 GLU 102 -1.173 -4.986 21.877 805 HG2 GLU 102 HG2 GLU 102 -3.305 -6.828 23.030 806 HG3 GLU 102 HG3 GLU 102 -1.952 -6.145 23.922 807 H THR 103 H THR 103 -5.003 -5.000 19.802 808 HA THR 103 HA THR 103 -4.744 -2.165 20.308 809 HB THR 103 HB THR 103 -3.648 -2.060 18.189 810 HG1 THR 103 HG1 THR 103 -5.835 -1.388 16.868 811 HG21 THR 103 HG21 THR 103 -4.164 -4.323 17.360 812 HG22 THR 103 HG22 THR 103 -4.482 -3.105 16.123 813 HG23 THR 103 HG23 THR 103 -5.824 -3.825 17.015 814 H ASP 104 H ASP 104 -6.691 -1.004 19.933 815 HA ASP 104 HA ASP 104 -9.061 -2.453 20.700 816 HB2 ASP 104 HB2 ASP 104 -10.029 -0.206 21.002 817 HB3 ASP 104 HB3 ASP 104 -8.440 -0.294 21.747 818 H GLU 105 H GLU 105 -7.804 -1.005 17.793 819 HA GLU 105 HA GLU 105 -10.269 -1.653 16.277 820 HB2 GLU 105 HB2 GLU 105 -10.047 0.404 14.995 821 HB3 GLU 105 HB3 GLU 105 -10.155 0.810 16.705 822 HG2 GLU 105 HG2 GLU 105 -7.889 1.405 16.853 823 HG3 GLU 105 HG3 GLU 105 -7.457 0.556 15.368 824 H ILE 106 H ILE 106 -9.563 -1.180 13.775 825 HA ILE 106 HA ILE 106 -7.007 -2.554 13.263 826 HB ILE 106 HB ILE 106 -8.949 -4.159 13.222 827 HG12 ILE 106 HG12 ILE 106 -8.316 -5.220 11.026 828 HG13 ILE 106 HG13 ILE 106 -7.435 -3.755 10.605 829 HG21 ILE 106 HG21 ILE 106 -10.553 -4.125 11.342 830 HG22 ILE 106 HG22 ILE 106 -9.888 -2.584 10.798 831 HG23 ILE 106 HG23 ILE 106 -10.708 -2.685 12.356 832 HD11 ILE 106 HD11 ILE 106 -5.990 -5.547 11.432 833 HD12 ILE 106 HD12 ILE 106 -6.831 -5.523 12.980 834 HD13 ILE 106 HD13 ILE 106 -5.908 -4.116 12.449 835 H GLY 107 H GLY 107 -9.164 0.009 12.450 836 HA2 GLY 107 HA2 GLY 107 -9.005 -0.082 9.609 837 HA3 GLY 107 HA3 GLY 107 -9.669 1.224 10.577 838 H THR 108 H THR 108 -7.209 1.768 12.032 839 HA THR 108 HA THR 108 -5.924 3.485 10.069 840 HB THR 108 HB THR 108 -6.507 4.321 12.326 841 HG1 THR 108 HG1 THR 108 -4.329 5.199 12.786 842 HG21 THR 108 HG21 THR 108 -4.326 2.472 13.354 843 HG22 THR 108 HG22 THR 108 -6.052 2.298 13.666 844 HG23 THR 108 HG23 THR 108 -5.183 3.695 14.302 845 H LEU 109 H LEU 109 -5.300 0.309 11.219 846 HA LEU 109 HA LEU 109 -2.386 0.547 10.757 847 HB2 LEU 109 HB2 LEU 109 -2.093 -0.998 12.755 848 HB3 LEU 109 HB3 LEU 109 -2.571 0.652 13.086 849 HG LEU 109 HG LEU 109 -5.031 -0.379 13.159 850 HD11 LEU 109 HD11 LEU 109 -4.421 -2.652 12.456 851 HD12 LEU 109 HD12 LEU 109 -5.166 -2.626 14.052 852 HD13 LEU 109 HD13 LEU 109 -3.419 -2.829 13.904 853 HD21 LEU 109 HD21 LEU 109 -4.844 -0.669 15.586 854 HD22 LEU 109 HD22 LEU 109 -3.951 0.748 15.042 855 HD23 LEU 109 HD23 LEU 109 -3.082 -0.732 15.455 856 H LEU 110 H LEU 110 -5.060 -0.942 9.638 857 HA LEU 110 HA LEU 110 -3.520 -2.666 7.958 858 HB2 LEU 110 HB2 LEU 110 -3.751 -4.165 9.943 859 HB3 LEU 110 HB3 LEU 110 -5.494 -3.994 9.863 860 HG LEU 110 HG LEU 110 -5.532 -5.190 7.687 861 HD11 LEU 110 HD11 LEU 110 -2.539 -5.504 8.042 862 HD12 LEU 110 HD12 LEU 110 -3.354 -4.538 6.808 863 HD13 LEU 110 HD13 LEU 110 -3.524 -6.291 6.805 864 HD21 LEU 110 HD21 LEU 110 -5.800 -6.504 9.747 865 HD22 LEU 110 HD22 LEU 110 -4.052 -6.743 9.843 866 HD23 LEU 110 HD23 LEU 110 -4.969 -7.441 8.504 867 H THR 111 H THR 111 -4.523 -2.791 6.028 868 HA THR 111 HA THR 111 -7.133 -1.520 5.688 869 HB THR 111 HB THR 111 -5.174 -2.419 3.522 870 HG1 THR 111 HG1 THR 111 -5.480 0.104 4.822 871 HG21 THR 111 HG21 THR 111 -6.428 -0.822 2.102 872 HG22 THR 111 HG22 THR 111 -7.519 -0.483 3.452 873 HG23 THR 111 HG23 THR 111 -7.490 -2.092 2.727 874 H LEU 112 H LEU 112 -8.939 -2.602 5.115 875 HA LEU 112 HA LEU 112 -8.821 -5.459 4.339 876 HB2 LEU 112 HB2 LEU 112 -10.869 -4.243 6.246 877 HB3 LEU 112 HB3 LEU 112 -10.732 -5.934 5.786 878 HG LEU 112 HG LEU 112 -8.505 -4.513 7.275 879 HD11 LEU 112 HD11 LEU 112 -10.458 -4.260 8.631 880 HD12 LEU 112 HD12 LEU 112 -9.353 -5.428 9.352 881 HD13 LEU 112 HD13 LEU 112 -10.805 -5.989 8.516 882 HD21 LEU 112 HD21 LEU 112 -9.162 -7.454 7.007 883 HD22 LEU 112 HD22 LEU 112 -7.812 -6.769 7.917 884 HD23 LEU 112 HD23 LEU 112 -7.868 -6.598 6.165 885 H VAL 113 H VAL 113 -10.647 -6.191 3.140 886 HA VAL 113 HA VAL 113 -12.091 -4.206 1.562 887 HB VAL 113 HB VAL 113 -12.881 -6.132 0.207 888 HG11 VAL 113 HG11 VAL 113 -9.873 -6.162 0.645 889 HG12 VAL 113 HG12 VAL 113 -10.760 -5.058 -0.409 890 HG13 VAL 113 HG13 VAL 113 -10.713 -6.783 -0.780 891 HG21 VAL 113 HG21 VAL 113 -11.250 -7.896 2.095 892 HG22 VAL 113 HG22 VAL 113 -12.038 -8.439 0.609 893 HG23 VAL 113 HG23 VAL 113 -13.011 -7.873 1.968 894 H ASP 114 H ASP 114 -12.548 -6.420 4.200 895 HA ASP 114 HA ASP 114 -15.408 -6.676 4.061 896 HB2 ASP 114 HB2 ASP 114 -14.045 -8.464 5.066 897 HB3 ASP 114 HB3 ASP 114 -13.430 -7.350 6.284 898 H GLN 115 H GLN 115 -13.344 -5.290 6.637 899 HA GLN 115 HA GLN 115 -15.392 -3.757 7.840 900 HB2 GLN 115 HB2 GLN 115 -12.359 -3.597 8.070 901 HB3 GLN 115 HB3 GLN 115 -13.447 -2.629 9.062 902 HG2 GLN 115 HG2 GLN 115 -13.384 -5.671 9.015 903 HG3 GLN 115 HG3 GLN 115 -12.593 -4.651 10.221 904 HE21 GLN 115 HE21 GLN 115 -15.667 -5.838 9.036 905 HE22 GLN 115 HE22 GLN 115 -16.596 -5.359 10.411 906 HA PRO 116 HA PRO 116 -15.756 -0.231 5.157 907 HB2 PRO 116 HB2 PRO 116 -16.388 1.779 6.969 908 HB3 PRO 116 HB3 PRO 116 -17.531 0.539 6.434 909 HG2 PRO 116 HG2 PRO 116 -15.844 0.610 8.935 910 HG3 PRO 116 HG3 PRO 116 -17.567 0.205 8.765 911 HD2 PRO 116 HD2 PRO 116 -15.723 -1.732 8.994 912 HD3 PRO 116 HD3 PRO 116 -17.107 -1.935 7.896 913 H GLN 117 H GLN 117 -14.705 1.660 4.448 914 HA GLN 117 HA GLN 117 -11.987 2.129 5.263 915 HB2 GLN 117 HB2 GLN 117 -13.803 3.696 3.375 916 HB3 GLN 117 HB3 GLN 117 -12.073 3.978 3.567 917 HG2 GLN 117 HG2 GLN 117 -11.666 1.623 2.782 918 HG3 GLN 117 HG3 GLN 117 -13.394 1.464 2.474 919 HE21 GLN 117 HE21 GLN 117 -14.321 2.673 0.753 920 HE22 GLN 117 HE22 GLN 117 -13.349 3.327 -0.516 921 H ALA 118 H ALA 118 -15.070 3.351 6.182 922 HA ALA 118 HA ALA 118 -14.183 5.742 7.535 923 HB1 ALA 118 HB1 ALA 118 -16.495 5.767 8.451 924 HB2 ALA 118 HB2 ALA 118 -16.785 4.178 7.736 925 HB3 ALA 118 HB3 ALA 118 -16.487 5.570 6.694 Start of MODEL 5 1 H MET 1 H MET 1 2.461 0.423 0.820 2 HA MET 1 HA MET 1 1.252 0.396 -1.247 3 HB2 MET 1 HB2 MET 1 3.979 1.728 -1.397 4 HB3 MET 1 HB3 MET 1 2.599 2.157 -2.409 5 HG2 MET 1 HG2 MET 1 2.601 2.372 0.616 6 HG3 MET 1 HG3 MET 1 3.016 3.698 -0.465 7 HE1 MET 1 HE1 MET 1 0.193 1.897 1.432 8 HE2 MET 1 HE2 MET 1 -0.055 1.005 -0.071 9 HE3 MET 1 HE3 MET 1 -1.251 2.184 0.462 10 H ARG 2 H ARG 2 1.069 -1.638 -2.168 11 HA ARG 2 HA ARG 2 1.282 -3.308 -3.676 12 HB2 ARG 2 HB2 ARG 2 3.029 -1.324 -5.187 13 HB3 ARG 2 HB3 ARG 2 2.321 -2.787 -5.876 14 HG2 ARG 2 HG2 ARG 2 0.044 -1.856 -5.403 15 HG3 ARG 2 HG3 ARG 2 0.802 -0.372 -4.817 16 HD2 ARG 2 HD2 ARG 2 1.033 -1.484 -7.635 17 HD3 ARG 2 HD3 ARG 2 -0.013 -0.154 -7.132 18 HE ARG 2 HE ARG 2 2.747 0.317 -6.501 19 HH11 ARG 2 HH11 ARG 2 0.359 0.545 -9.076 20 HH12 ARG 2 HH12 ARG 2 1.259 1.736 -9.957 21 HH21 ARG 2 HH21 ARG 2 3.897 1.885 -7.668 22 HH22 ARG 2 HH22 ARG 2 3.255 2.501 -9.157 23 H LEU 3 H LEU 3 3.093 -3.208 -1.468 24 HA LEU 3 HA LEU 3 5.658 -4.245 -2.429 25 HB2 LEU 3 HB2 LEU 3 6.123 -4.227 0.173 26 HB3 LEU 3 HB3 LEU 3 6.168 -2.750 -0.747 27 HG LEU 3 HG LEU 3 3.981 -2.078 0.112 28 HD11 LEU 3 HD11 LEU 3 2.868 -4.202 0.309 29 HD12 LEU 3 HD12 LEU 3 2.800 -3.339 1.843 30 HD13 LEU 3 HD13 LEU 3 3.934 -4.680 1.632 31 HD21 LEU 3 HD21 LEU 3 5.949 -1.464 1.451 32 HD22 LEU 3 HD22 LEU 3 5.793 -2.956 2.382 33 HD23 LEU 3 HD23 LEU 3 4.535 -1.720 2.475 34 H LYS 4 H LYS 4 6.541 -6.125 -1.024 35 HA LYS 4 HA LYS 4 4.879 -8.394 -1.686 36 HB2 LYS 4 HB2 LYS 4 6.858 -9.704 -1.348 37 HB3 LYS 4 HB3 LYS 4 7.380 -8.207 -2.110 38 HG2 LYS 4 HG2 LYS 4 8.070 -7.374 0.153 39 HG3 LYS 4 HG3 LYS 4 7.645 -8.956 0.813 40 HD2 LYS 4 HD2 LYS 4 10.059 -8.810 0.450 41 HD3 LYS 4 HD3 LYS 4 9.348 -10.026 -0.617 42 HE2 LYS 4 HE2 LYS 4 9.491 -8.520 -2.516 43 HE3 LYS 4 HE3 LYS 4 9.995 -7.184 -1.480 44 HZ1 LYS 4 HZ1 LYS 4 12.011 -8.415 -0.965 45 HZ2 LYS 4 HZ2 LYS 4 11.867 -8.122 -2.621 46 HZ3 LYS 4 HZ3 LYS 4 11.536 -9.660 -2.005 47 H SER 5 H SER 5 5.149 -10.358 0.002 48 HA SER 5 HA SER 5 3.338 -9.972 2.100 49 HB2 SER 5 HB2 SER 5 5.433 -12.190 2.049 50 HB3 SER 5 HB3 SER 5 3.795 -12.267 2.693 51 HG SER 5 HG SER 5 3.363 -13.067 0.809 52 H GLU 6 H GLU 6 6.842 -10.476 2.256 53 HA GLU 6 HA GLU 6 7.296 -10.287 4.999 54 HB2 GLU 6 HB2 GLU 6 8.861 -11.212 3.287 55 HB3 GLU 6 HB3 GLU 6 9.164 -9.597 2.672 56 HG2 GLU 6 HG2 GLU 6 9.803 -10.357 5.527 57 HG3 GLU 6 HG3 GLU 6 10.912 -10.736 4.215 58 H MET 7 H MET 7 7.687 -7.819 2.492 59 HA MET 7 HA MET 7 8.566 -5.729 4.196 60 HB2 MET 7 HB2 MET 7 9.029 -5.917 1.729 61 HB3 MET 7 HB3 MET 7 7.347 -5.522 1.411 62 HG2 MET 7 HG2 MET 7 8.687 -3.577 1.034 63 HG3 MET 7 HG3 MET 7 7.725 -3.294 2.479 64 HE1 MET 7 HE1 MET 7 8.937 -3.786 5.058 65 HE2 MET 7 HE2 MET 7 8.823 -2.112 4.510 66 HE3 MET 7 HE3 MET 7 10.321 -2.699 5.225 67 H PHE 8 H PHE 8 5.356 -6.823 3.177 68 HA PHE 8 HA PHE 8 3.877 -4.543 4.028 69 HB2 PHE 8 HB2 PHE 8 2.885 -6.326 2.544 70 HB3 PHE 8 HB3 PHE 8 2.861 -7.426 3.922 71 HD1 PHE 8 HD2 PHE 8 1.260 -7.032 5.815 72 HD2 PHE 8 HD1 PHE 8 1.247 -4.514 2.358 73 HE1 PHE 8 HE2 PHE 8 -0.906 -6.089 6.498 74 HE2 PHE 8 HE1 PHE 8 -0.912 -3.580 3.048 75 HZ PHE 8 HZ PHE 8 -1.992 -4.362 5.114 76 H VAL 9 H VAL 9 4.719 -7.619 5.621 77 HA VAL 9 HA VAL 9 3.357 -7.238 8.047 78 HB VAL 9 HB VAL 9 5.849 -8.864 7.437 79 HG11 VAL 9 HG11 VAL 9 5.447 -10.107 9.536 80 HG12 VAL 9 HG12 VAL 9 4.190 -8.945 9.965 81 HG13 VAL 9 HG13 VAL 9 5.867 -8.417 9.835 82 HG21 VAL 9 HG21 VAL 9 2.964 -9.711 7.779 83 HG22 VAL 9 HG22 VAL 9 4.322 -10.787 7.434 84 HG23 VAL 9 HG23 VAL 9 3.824 -9.581 6.244 85 H SER 10 H SER 10 6.746 -6.520 7.226 86 HA SER 10 HA SER 10 7.619 -5.481 9.667 87 HB2 SER 10 HB2 SER 10 8.509 -4.710 6.855 88 HB3 SER 10 HB3 SER 10 9.425 -4.412 8.336 89 HG SER 10 HG SER 10 9.224 -6.681 6.845 90 H ALA 11 H ALA 11 6.048 -3.874 6.922 91 HA ALA 11 HA ALA 11 6.109 -1.232 8.022 92 HB1 ALA 11 HB1 ALA 11 4.641 -0.652 6.129 93 HB2 ALA 11 HB2 ALA 11 4.395 -2.368 5.786 94 HB3 ALA 11 HB3 ALA 11 5.996 -1.648 5.595 95 H LEU 12 H LEU 12 3.854 -3.895 8.156 96 HA LEU 12 HA LEU 12 1.486 -2.579 8.996 97 HB2 LEU 12 HB2 LEU 12 1.360 -4.767 7.989 98 HB3 LEU 12 HB3 LEU 12 2.471 -5.436 9.166 99 HG LEU 12 HG LEU 12 0.707 -5.186 10.935 100 HD11 LEU 12 HD11 LEU 12 -0.590 -3.366 9.987 101 HD12 LEU 12 HD12 LEU 12 -1.603 -4.773 10.312 102 HD13 LEU 12 HD13 LEU 12 -1.111 -4.408 8.656 103 HD21 LEU 12 HD21 LEU 12 1.042 -7.326 9.769 104 HD22 LEU 12 HD22 LEU 12 -0.139 -6.843 8.545 105 HD23 LEU 12 HD23 LEU 12 -0.647 -7.083 10.218 106 H ILE 13 H ILE 13 4.086 -4.183 10.679 107 HA ILE 13 HA ILE 13 3.148 -3.932 13.330 108 HB ILE 13 HB ILE 13 5.923 -4.342 12.133 109 HG12 ILE 13 HG12 ILE 13 4.149 -6.351 13.575 110 HG13 ILE 13 HG13 ILE 13 4.077 -6.102 11.836 111 HG21 ILE 13 HG21 ILE 13 6.716 -5.066 14.355 112 HG22 ILE 13 HG22 ILE 13 5.185 -4.557 15.067 113 HG23 ILE 13 HG23 ILE 13 6.262 -3.359 14.348 114 HD11 ILE 13 HD11 ILE 13 5.389 -8.036 12.414 115 HD12 ILE 13 HD12 ILE 13 6.490 -7.042 13.372 116 HD13 ILE 13 HD13 ILE 13 6.379 -6.812 11.620 117 H ARG 14 H ARG 14 5.026 -1.825 11.221 118 HA ARG 14 HA ARG 14 5.607 0.171 13.227 119 HB2 ARG 14 HB2 ARG 14 6.063 -0.074 10.260 120 HB3 ARG 14 HB3 ARG 14 6.098 1.540 10.952 121 HG2 ARG 14 HG2 ARG 14 8.355 0.475 10.760 122 HG3 ARG 14 HG3 ARG 14 7.940 0.986 12.394 123 HD2 ARG 14 HD2 ARG 14 7.327 -1.372 12.933 124 HD3 ARG 14 HD3 ARG 14 7.855 -1.847 11.318 125 HE ARG 14 HE ARG 14 10.086 -0.762 12.132 126 HH11 ARG 14 HH11 ARG 14 7.914 -2.654 14.128 127 HH12 ARG 14 HH12 ARG 14 9.185 -3.346 15.078 128 HH21 ARG 14 HH21 ARG 14 11.756 -1.671 13.382 129 HH22 ARG 14 HH22 ARG 14 11.378 -2.794 14.649 130 H ARG 15 H ARG 15 2.980 -0.399 10.964 131 HA ARG 15 HA ARG 15 1.717 2.124 10.985 132 HB2 ARG 15 HB2 ARG 15 0.544 -0.665 10.661 133 HB3 ARG 15 HB3 ARG 15 -0.411 0.802 10.471 134 HG2 ARG 15 HG2 ARG 15 1.071 1.486 8.591 135 HG3 ARG 15 HG3 ARG 15 1.948 -0.034 8.753 136 HD2 ARG 15 HD2 ARG 15 -0.048 -1.315 8.189 137 HD3 ARG 15 HD3 ARG 15 -1.038 0.149 8.185 138 HE ARG 15 HE ARG 15 1.147 -0.347 6.237 139 HH11 ARG 15 HH11 ARG 15 -2.124 0.824 6.888 140 HH12 ARG 15 HH12 ARG 15 -2.418 1.237 5.230 141 HH21 ARG 15 HH21 ARG 15 0.726 0.226 4.087 142 HH22 ARG 15 HH22 ARG 15 -0.815 0.896 3.654 143 H VAL 16 H VAL 16 1.411 -0.667 13.171 144 HA VAL 16 HA VAL 16 -0.761 0.440 14.682 145 HB VAL 16 HB VAL 16 -0.626 -1.440 16.144 146 HG11 VAL 16 HG11 VAL 16 -0.619 -3.378 14.623 147 HG12 VAL 16 HG12 VAL 16 0.200 -2.422 13.386 148 HG13 VAL 16 HG13 VAL 16 -1.435 -1.999 13.886 149 HG21 VAL 16 HG21 VAL 16 2.138 -2.054 15.067 150 HG22 VAL 16 HG22 VAL 16 1.255 -2.976 16.282 151 HG23 VAL 16 HG23 VAL 16 1.793 -1.341 16.642 152 H PHE 17 H PHE 17 2.783 0.393 15.094 153 HA PHE 17 HA PHE 17 2.816 1.515 17.722 154 HB2 PHE 17 HB2 PHE 17 4.964 1.368 15.561 155 HB3 PHE 17 HB3 PHE 17 5.259 2.085 17.141 156 HD1 PHE 17 HD2 PHE 17 4.070 0.320 19.059 157 HD2 PHE 17 HD1 PHE 17 6.088 -0.709 15.437 158 HE1 PHE 17 HE2 PHE 17 4.642 -1.872 19.995 159 HE2 PHE 17 HE1 PHE 17 6.660 -2.911 16.398 160 HZ PHE 17 HZ PHE 17 5.935 -3.486 18.672 161 H ALA 18 H ALA 18 2.682 2.866 14.477 162 HA ALA 18 HA ALA 18 2.994 5.612 15.133 163 HB1 ALA 18 HB1 ALA 18 1.902 6.042 12.962 164 HB2 ALA 18 HB2 ALA 18 1.411 4.346 12.869 165 HB3 ALA 18 HB3 ALA 18 3.122 4.773 12.824 166 H ALA 19 H ALA 19 0.233 3.398 15.200 167 HA ALA 19 HA ALA 19 -1.701 5.402 16.060 168 HB1 ALA 19 HB1 ALA 19 -1.933 2.369 15.925 169 HB2 ALA 19 HB2 ALA 19 -2.415 3.505 14.663 170 HB3 ALA 19 HB3 ALA 19 -3.267 3.497 16.207 171 H GLY 20 H GLY 20 0.733 3.607 17.618 172 HA2 GLY 20 HA2 GLY 20 1.358 3.996 19.864 173 HA3 GLY 20 HA3 GLY 20 -0.310 4.347 20.283 174 H GLY 21 H GLY 21 -0.684 1.695 18.480 175 HA2 GLY 21 HA2 GLY 21 -0.963 -0.113 20.743 176 HA3 GLY 21 HA3 GLY 21 -1.409 -0.429 19.071 177 H PHE 22 H PHE 22 -0.376 -2.561 19.888 178 HA PHE 22 HA PHE 22 2.589 -2.560 19.647 179 HB2 PHE 22 HB2 PHE 22 1.923 -3.206 21.900 180 HB3 PHE 22 HB3 PHE 22 0.743 -4.351 21.285 181 HD1 PHE 22 HD1 PHE 22 4.419 -3.677 21.494 182 HD2 PHE 22 HD2 PHE 22 1.377 -6.619 20.864 183 HE1 PHE 22 HE1 PHE 22 6.111 -5.458 21.569 184 HE2 PHE 22 HE2 PHE 22 3.077 -8.393 20.946 185 HZ PHE 22 HZ PHE 22 5.444 -7.811 21.299 186 H ALA 23 H ALA 23 3.563 -4.282 18.475 187 HA ALA 23 HA ALA 23 2.036 -6.436 17.362 188 HB1 ALA 23 HB1 ALA 23 3.205 -4.431 15.411 189 HB2 ALA 23 HB2 ALA 23 1.494 -4.775 15.658 190 HB3 ALA 23 HB3 ALA 23 2.546 -6.015 14.978 191 H ALA 24 H ALA 24 3.312 -7.918 16.083 192 HA ALA 24 HA ALA 24 6.112 -7.862 15.790 193 HB1 ALA 24 HB1 ALA 24 6.170 -8.015 18.253 194 HB2 ALA 24 HB2 ALA 24 6.789 -9.496 17.518 195 HB3 ALA 24 HB3 ALA 24 5.159 -9.462 18.202 196 H VAL 25 H VAL 25 6.631 -9.467 14.354 197 HA VAL 25 HA VAL 25 4.534 -11.283 13.496 198 HB VAL 25 HB VAL 25 5.764 -10.209 11.738 199 HG11 VAL 25 HG11 VAL 25 8.184 -10.592 11.290 200 HG12 VAL 25 HG12 VAL 25 8.316 -11.414 12.847 201 HG13 VAL 25 HG13 VAL 25 7.888 -9.701 12.788 202 HG21 VAL 25 HG21 VAL 25 6.471 -12.158 10.378 203 HG22 VAL 25 HG22 VAL 25 4.966 -12.467 11.246 204 HG23 VAL 25 HG23 VAL 25 6.480 -13.158 11.831 205 H GLU 26 H GLU 26 4.258 -13.182 14.363 206 HA GLU 26 HA GLU 26 6.199 -14.572 15.978 207 HB2 GLU 26 HB2 GLU 26 3.385 -15.339 15.084 208 HB3 GLU 26 HB3 GLU 26 4.349 -16.242 16.253 209 HG2 GLU 26 HG2 GLU 26 3.372 -13.385 16.584 210 HG3 GLU 26 HG3 GLU 26 2.673 -14.811 17.350 211 H LYS 27 H LYS 27 4.283 -15.575 13.125 212 HA LYS 27 HA LYS 27 6.312 -17.613 12.465 213 HB2 LYS 27 HB2 LYS 27 3.997 -18.399 12.773 214 HB3 LYS 27 HB3 LYS 27 3.435 -17.288 11.530 215 HG2 LYS 27 HG2 LYS 27 4.658 -18.526 9.813 216 HG3 LYS 27 HG3 LYS 27 5.354 -19.588 11.041 217 HD2 LYS 27 HD2 LYS 27 3.092 -20.414 11.597 218 HD3 LYS 27 HD3 LYS 27 2.395 -19.363 10.362 219 HE2 LYS 27 HE2 LYS 27 2.582 -21.655 9.534 220 HE3 LYS 27 HE3 LYS 27 3.653 -20.594 8.627 221 HZ1 LYS 27 HZ1 LYS 27 5.494 -21.388 10.007 222 HZ2 LYS 27 HZ2 LYS 27 4.754 -22.642 9.151 223 HZ3 LYS 27 HZ3 LYS 27 4.447 -22.447 10.803 224 H LYS 28 H LYS 28 7.245 -17.729 10.468 225 HA LYS 28 HA LYS 28 6.929 -15.437 8.617 226 HB2 LYS 28 HB2 LYS 28 9.034 -15.170 9.761 227 HB3 LYS 28 HB3 LYS 28 9.444 -16.870 9.576 228 HG2 LYS 28 HG2 LYS 28 9.825 -16.597 7.207 229 HG3 LYS 28 HG3 LYS 28 9.199 -14.947 7.241 230 HD2 LYS 28 HD2 LYS 28 11.096 -14.235 8.641 231 HD3 LYS 28 HD3 LYS 28 11.707 -15.891 8.688 232 HE2 LYS 28 HE2 LYS 28 12.117 -15.828 6.267 233 HE3 LYS 28 HE3 LYS 28 11.434 -14.202 6.174 234 HZ1 LYS 28 HZ1 LYS 28 13.213 -13.378 7.528 235 HZ2 LYS 28 HZ2 LYS 28 13.878 -14.232 6.231 236 HZ3 LYS 28 HZ3 LYS 28 13.830 -14.933 7.767 237 H GLY 29 H GLY 29 6.539 -15.988 6.529 238 HA2 GLY 29 HA2 GLY 29 6.950 -18.796 5.631 239 HA3 GLY 29 HA3 GLY 29 5.544 -17.838 5.200 240 H ALA 30 H ALA 30 5.710 -17.551 3.036 241 HA ALA 30 HA ALA 30 8.256 -17.130 1.715 242 HB1 ALA 30 HB1 ALA 30 5.442 -17.141 0.554 243 HB2 ALA 30 HB2 ALA 30 6.524 -18.528 0.659 244 HB3 ALA 30 HB3 ALA 30 6.948 -17.161 -0.368 245 H GLU 31 H GLU 31 9.044 -15.238 0.933 246 HA GLU 31 HA GLU 31 8.234 -12.846 2.239 247 HB2 GLU 31 HB2 GLU 31 10.258 -13.205 -0.004 248 HB3 GLU 31 HB3 GLU 31 10.120 -11.797 1.049 249 HG2 GLU 31 HG2 GLU 31 10.757 -13.136 2.987 250 HG3 GLU 31 HG3 GLU 31 10.814 -14.597 1.997 251 H ALA 32 H ALA 32 7.947 -13.947 -1.121 252 HA ALA 32 HA ALA 32 6.948 -11.352 -2.038 253 HB1 ALA 32 HB1 ALA 32 8.634 -12.529 -3.390 254 HB2 ALA 32 HB2 ALA 32 7.132 -12.297 -4.291 255 HB3 ALA 32 HB3 ALA 32 7.518 -13.880 -3.611 256 H ALA 33 H ALA 33 5.811 -14.752 -2.069 257 HA ALA 33 HA ALA 33 3.104 -13.849 -2.888 258 HB1 ALA 33 HB1 ALA 33 4.340 -15.182 -4.571 259 HB2 ALA 33 HB2 ALA 33 2.889 -16.019 -4.020 260 HB3 ALA 33 HB3 ALA 33 4.476 -16.514 -3.420 261 H GLY 34 H GLY 34 4.540 -14.689 -0.112 262 HA2 GLY 34 HA2 GLY 34 3.015 -16.886 0.888 263 HA3 GLY 34 HA3 GLY 34 3.946 -15.739 1.841 264 H ALA 35 H ALA 35 1.281 -16.931 2.340 265 HA ALA 35 HA ALA 35 -0.668 -14.803 2.220 266 HB1 ALA 35 HB1 ALA 35 -2.007 -16.280 3.701 267 HB2 ALA 35 HB2 ALA 35 -0.617 -17.353 3.883 268 HB3 ALA 35 HB3 ALA 35 -1.380 -17.159 2.305 269 H ILE 36 H ILE 36 -1.577 -13.837 4.303 270 HA ILE 36 HA ILE 36 0.388 -13.521 6.491 271 HB ILE 36 HB ILE 36 -1.090 -11.105 5.358 272 HG12 ILE 36 HG12 ILE 36 0.574 -11.863 3.641 273 HG13 ILE 36 HG13 ILE 36 0.925 -10.267 4.292 274 HG21 ILE 36 HG21 ILE 36 -0.481 -10.947 7.718 275 HG22 ILE 36 HG22 ILE 36 0.474 -9.802 6.777 276 HG23 ILE 36 HG23 ILE 36 1.206 -11.307 7.342 277 HD11 ILE 36 HD11 ILE 36 2.953 -11.443 4.064 278 HD12 ILE 36 HD12 ILE 36 2.332 -12.848 4.918 279 HD13 ILE 36 HD13 ILE 36 2.612 -11.339 5.782 280 H PHE 37 H PHE 37 -0.860 -14.462 8.094 281 HA PHE 37 HA PHE 37 -3.645 -13.518 8.425 282 HB2 PHE 37 HB2 PHE 37 -2.291 -16.096 9.271 283 HB3 PHE 37 HB3 PHE 37 -3.812 -15.575 9.990 284 HD1 PHE 37 HD1 PHE 37 -2.225 -16.464 6.728 285 HD2 PHE 37 HD2 PHE 37 -5.885 -15.888 8.856 286 HE1 PHE 37 HE1 PHE 37 -3.480 -17.377 4.825 287 HE2 PHE 37 HE2 PHE 37 -7.132 -16.803 6.949 288 HZ PHE 37 HZ PHE 37 -5.932 -17.547 4.935 289 H VAL 38 H VAL 38 -3.899 -12.013 9.856 290 HA VAL 38 HA VAL 38 -1.857 -11.512 11.933 291 HB VAL 38 HB VAL 38 -3.814 -9.550 10.633 292 HG11 VAL 38 HG11 VAL 38 -1.441 -8.995 12.448 293 HG12 VAL 38 HG12 VAL 38 -3.140 -8.865 12.913 294 HG13 VAL 38 HG13 VAL 38 -2.474 -7.776 11.693 295 HG21 VAL 38 HG21 VAL 38 -1.886 -8.648 9.393 296 HG22 VAL 38 HG22 VAL 38 -2.143 -10.350 8.992 297 HG23 VAL 38 HG23 VAL 38 -0.841 -9.887 10.093 298 H ARG 39 H ARG 39 -2.515 -11.628 14.020 299 HA ARG 39 HA ARG 39 -5.403 -11.837 14.647 300 HB2 ARG 39 HB2 ARG 39 -4.669 -12.894 16.791 301 HB3 ARG 39 HB3 ARG 39 -4.166 -13.820 15.382 302 HG2 ARG 39 HG2 ARG 39 -1.886 -13.247 15.653 303 HG3 ARG 39 HG3 ARG 39 -2.259 -11.871 16.686 304 HD2 ARG 39 HD2 ARG 39 -1.310 -13.579 18.065 305 HD3 ARG 39 HD3 ARG 39 -3.027 -13.471 18.459 306 HE ARG 39 HE ARG 39 -1.971 -15.559 16.646 307 HH11 ARG 39 HH11 ARG 39 -3.996 -14.678 19.358 308 HH12 ARG 39 HH12 ARG 39 -4.288 -16.322 19.821 309 HH21 ARG 39 HH21 ARG 39 -2.380 -17.697 17.223 310 HH22 ARG 39 HH22 ARG 39 -3.376 -18.044 18.598 311 H GLN 40 H GLN 40 -6.305 -10.187 15.760 312 HA GLN 40 HA GLN 40 -4.585 -8.096 16.963 313 HB2 GLN 40 HB2 GLN 40 -6.031 -7.238 15.181 314 HB3 GLN 40 HB3 GLN 40 -7.453 -7.947 15.944 315 HG2 GLN 40 HG2 GLN 40 -7.182 -6.432 17.871 316 HG3 GLN 40 HG3 GLN 40 -5.734 -5.743 17.136 317 HE21 GLN 40 HE21 GLN 40 -8.171 -4.425 17.943 318 HE22 GLN 40 HE22 GLN 40 -8.813 -3.651 16.539 319 H ARG 41 H ARG 41 -4.471 -8.242 19.165 320 HA ARG 41 HA ARG 41 -6.621 -9.427 20.698 321 HB2 ARG 41 HB2 ARG 41 -4.136 -9.466 21.405 322 HB3 ARG 41 HB3 ARG 41 -4.353 -7.775 21.853 323 HG2 ARG 41 HG2 ARG 41 -6.311 -8.563 23.332 324 HG3 ARG 41 HG3 ARG 41 -5.740 -10.205 23.041 325 HD2 ARG 41 HD2 ARG 41 -4.840 -9.542 25.142 326 HD3 ARG 41 HD3 ARG 41 -3.499 -9.467 23.997 327 HE ARG 41 HE ARG 41 -4.497 -6.931 23.983 328 HH11 ARG 41 HH11 ARG 41 -3.288 -9.030 26.526 329 HH12 ARG 41 HH12 ARG 41 -2.815 -7.715 27.548 330 HH21 ARG 41 HH21 ARG 41 -3.850 -5.225 25.307 331 HH22 ARG 41 HH22 ARG 41 -3.141 -5.548 26.858 332 H LEU 42 H LEU 42 -8.445 -8.318 20.924 333 HA LEU 42 HA LEU 42 -8.654 -5.441 20.966 334 HB2 LEU 42 HB2 LEU 42 -10.653 -7.664 21.559 335 HB3 LEU 42 HB3 LEU 42 -11.076 -5.966 21.670 336 HG LEU 42 HG LEU 42 -11.905 -6.847 19.586 337 HD11 LEU 42 HD11 LEU 42 -10.873 -5.354 17.954 338 HD12 LEU 42 HD12 LEU 42 -9.507 -5.090 19.042 339 HD13 LEU 42 HD13 LEU 42 -11.125 -4.556 19.504 340 HD21 LEU 42 HD21 LEU 42 -10.450 -8.765 19.300 341 HD22 LEU 42 HD22 LEU 42 -9.080 -7.711 18.931 342 HD23 LEU 42 HD23 LEU 42 -10.464 -7.783 17.836 343 H ARG 43 H ARG 43 -9.399 -4.211 22.774 344 HA ARG 43 HA ARG 43 -8.120 -4.764 25.255 345 HB2 ARG 43 HB2 ARG 43 -9.012 -2.638 25.975 346 HB3 ARG 43 HB3 ARG 43 -8.538 -2.483 24.287 347 HG2 ARG 43 HG2 ARG 43 -10.984 -2.845 23.675 348 HG3 ARG 43 HG3 ARG 43 -11.359 -2.714 25.395 349 HD2 ARG 43 HD2 ARG 43 -10.118 -0.593 23.613 350 HD3 ARG 43 HD3 ARG 43 -11.721 -0.562 24.351 351 HE ARG 43 HE ARG 43 -10.355 -0.636 26.545 352 HH11 ARG 43 HH11 ARG 43 -9.467 1.166 23.663 353 HH12 ARG 43 HH12 ARG 43 -8.512 2.319 24.537 354 HH21 ARG 43 HH21 ARG 43 -9.134 0.878 27.672 355 HH22 ARG 43 HH22 ARG 43 -8.328 2.151 26.821 356 H ASP 44 H ASP 44 -11.189 -5.595 23.970 357 HA ASP 44 HA ASP 44 -12.796 -5.929 26.262 358 HB2 ASP 44 HB2 ASP 44 -12.871 -7.526 23.656 359 HB3 ASP 44 HB3 ASP 44 -14.183 -7.378 24.817 360 H GLY 45 H GLY 45 -10.081 -7.702 25.132 361 HA2 GLY 45 HA2 GLY 45 -9.067 -9.501 26.324 362 HA3 GLY 45 HA3 GLY 45 -10.645 -10.045 26.870 363 H ARG 46 H ARG 46 -11.417 -9.288 23.930 364 HA ARG 46 HA ARG 46 -11.212 -11.992 22.897 365 HB2 ARG 46 HB2 ARG 46 -12.601 -9.495 21.845 366 HB3 ARG 46 HB3 ARG 46 -12.729 -11.095 21.117 367 HG2 ARG 46 HG2 ARG 46 -13.757 -10.219 23.840 368 HG3 ARG 46 HG3 ARG 46 -14.704 -10.716 22.430 369 HD2 ARG 46 HD2 ARG 46 -13.696 -12.987 22.599 370 HD3 ARG 46 HD3 ARG 46 -12.859 -12.477 24.078 371 HE ARG 46 HE ARG 46 -15.765 -12.183 24.076 372 HH11 ARG 46 HH11 ARG 46 -13.058 -14.228 25.013 373 HH12 ARG 46 HH12 ARG 46 -14.009 -15.170 26.110 374 HH21 ARG 46 HH21 ARG 46 -16.987 -13.470 25.517 375 HH22 ARG 46 HH22 ARG 46 -16.213 -14.760 26.385 376 H GLU 47 H GLU 47 -11.000 -11.999 20.371 377 HA GLU 47 HA GLU 47 -8.815 -10.351 19.395 378 HB2 GLU 47 HB2 GLU 47 -8.641 -13.389 19.522 379 HB3 GLU 47 HB3 GLU 47 -7.643 -12.408 18.454 380 HG2 GLU 47 HG2 GLU 47 -6.773 -11.223 20.506 381 HG3 GLU 47 HG3 GLU 47 -7.613 -12.430 21.481 382 H ASN 48 H ASN 48 -8.823 -10.053 17.242 383 HA ASN 48 HA ASN 48 -10.816 -11.432 15.552 384 HB2 ASN 48 HB2 ASN 48 -9.350 -8.784 15.205 385 HB3 ASN 48 HB3 ASN 48 -10.116 -9.580 13.843 386 HD21 ASN 48 HD21 ASN 48 -11.393 -9.416 17.141 387 HD22 ASN 48 HD22 ASN 48 -12.758 -8.439 16.746 388 H LEU 49 H LEU 49 -10.047 -12.009 13.377 389 HA LEU 49 HA LEU 49 -7.162 -12.480 13.110 390 HB2 LEU 49 HB2 LEU 49 -8.945 -14.555 13.594 391 HB3 LEU 49 HB3 LEU 49 -8.911 -14.547 11.847 392 HG LEU 49 HG LEU 49 -6.456 -14.803 13.615 393 HD11 LEU 49 HD11 LEU 49 -6.402 -17.174 12.934 394 HD12 LEU 49 HD12 LEU 49 -7.966 -16.959 12.141 395 HD13 LEU 49 HD13 LEU 49 -7.829 -16.765 13.887 396 HD21 LEU 49 HD21 LEU 49 -5.277 -15.488 11.554 397 HD22 LEU 49 HD22 LEU 49 -5.881 -13.837 11.453 398 HD23 LEU 49 HD23 LEU 49 -6.732 -15.137 10.613 399 H TYR 50 H TYR 50 -6.427 -12.150 11.083 400 HA TYR 50 HA TYR 50 -8.269 -11.161 9.014 401 HB2 TYR 50 HB2 TYR 50 -5.556 -9.930 9.728 402 HB3 TYR 50 HB3 TYR 50 -6.682 -9.347 8.499 403 HD1 TYR 50 HD1 TYR 50 -9.119 -8.788 9.376 404 HD2 TYR 50 HD2 TYR 50 -5.656 -8.906 11.874 405 HE1 TYR 50 HE1 TYR 50 -10.292 -7.462 11.061 406 HE2 TYR 50 HE2 TYR 50 -6.841 -7.555 13.553 407 HH TYR 50 HH TYR 50 -8.759 -5.958 13.624 408 H GLY 51 H GLY 51 -7.477 -11.440 6.870 409 HA2 GLY 51 HA2 GLY 51 -5.076 -13.067 6.438 410 HA3 GLY 51 HA3 GLY 51 -6.623 -13.797 6.003 411 HA PRO 52 HA PRO 52 -5.062 -10.860 2.572 412 HB2 PRO 52 HB2 PRO 52 -4.108 -12.679 0.748 413 HB3 PRO 52 HB3 PRO 52 -3.088 -11.960 2.003 414 HG2 PRO 52 HG2 PRO 52 -4.443 -14.652 1.975 415 HG3 PRO 52 HG3 PRO 52 -2.787 -14.242 2.474 416 HD2 PRO 52 HD2 PRO 52 -4.810 -14.612 4.271 417 HD3 PRO 52 HD3 PRO 52 -3.471 -13.480 4.568 418 H ALA 53 H ALA 53 -7.036 -10.287 1.854 419 HA ALA 53 HA ALA 53 -9.180 -11.981 1.166 420 HB1 ALA 53 HB1 ALA 53 -9.519 -9.612 1.750 421 HB2 ALA 53 HB2 ALA 53 -10.219 -9.964 0.169 422 HB3 ALA 53 HB3 ALA 53 -8.676 -9.109 0.284 423 HA PRO 54 HA PRO 54 -8.094 -13.436 -2.960 424 HB2 PRO 54 HB2 PRO 54 -10.954 -12.983 -3.762 425 HB3 PRO 54 HB3 PRO 54 -9.995 -14.469 -3.805 426 HG2 PRO 54 HG2 PRO 54 -11.898 -14.102 -1.947 427 HG3 PRO 54 HG3 PRO 54 -10.387 -14.952 -1.560 428 HD2 PRO 54 HD2 PRO 54 -11.192 -12.122 -0.916 429 HD3 PRO 54 HD3 PRO 54 -10.325 -13.307 0.088 430 H GLN 55 H GLN 55 -6.813 -11.658 -3.462 431 HA GLN 55 HA GLN 55 -7.539 -9.128 -4.348 432 HB2 GLN 55 HB2 GLN 55 -5.212 -9.778 -3.785 433 HB3 GLN 55 HB3 GLN 55 -5.155 -10.857 -5.175 434 HG2 GLN 55 HG2 GLN 55 -5.327 -8.935 -6.692 435 HG3 GLN 55 HG3 GLN 55 -5.437 -7.840 -5.314 436 HE21 GLN 55 HE21 GLN 55 -3.581 -6.693 -5.927 437 HE22 GLN 55 HE22 GLN 55 -1.992 -7.359 -5.811 438 H SER 56 H SER 56 -8.768 -8.580 -6.056 439 HA SER 56 HA SER 56 -9.483 -10.445 -8.123 440 HB2 SER 56 HB2 SER 56 -10.806 -8.440 -9.000 441 HB3 SER 56 HB3 SER 56 -11.188 -8.925 -7.350 442 HG SER 56 HG SER 56 -9.201 -6.990 -7.686 443 H PHE 57 H PHE 57 -7.348 -10.888 -8.934 444 HA PHE 57 HA PHE 57 -5.977 -8.744 -10.351 445 HB2 PHE 57 HB2 PHE 57 -4.151 -10.454 -10.729 446 HB3 PHE 57 HB3 PHE 57 -4.459 -10.034 -9.053 447 HD1 PHE 57 HD1 PHE 57 -5.013 -12.694 -11.622 448 HD2 PHE 57 HD2 PHE 57 -5.025 -11.713 -7.463 449 HE1 PHE 57 HE1 PHE 57 -5.217 -15.075 -11.051 450 HE2 PHE 57 HE2 PHE 57 -5.233 -14.093 -6.903 451 HZ PHE 57 HZ PHE 57 -5.332 -15.776 -8.698 452 H ALA 58 H ALA 58 -5.610 -8.638 -12.489 453 HA ALA 58 HA ALA 58 -7.061 -10.507 -14.278 454 HB1 ALA 58 HB1 ALA 58 -8.040 -8.241 -14.279 455 HB2 ALA 58 HB2 ALA 58 -7.297 -8.597 -15.838 456 HB3 ALA 58 HB3 ALA 58 -6.470 -7.542 -14.687 457 H ASP 59 H ASP 59 -5.637 -11.808 -15.232 458 HA ASP 59 HA ASP 59 -3.958 -12.641 -16.475 459 HB2 ASP 59 HB2 ASP 59 -4.645 -10.733 -17.979 460 HB3 ASP 59 HB3 ASP 59 -3.391 -9.741 -17.245 461 H ASP 60 H ASP 60 -3.463 -11.781 -13.668 462 HA ASP 60 HA ASP 60 -1.857 -11.728 -12.087 463 HB2 ASP 60 HB2 ASP 60 -0.204 -12.914 -14.345 464 HB3 ASP 60 HB3 ASP 60 0.532 -12.577 -12.782 465 H GLU 61 H GLU 61 -2.150 -9.389 -14.102 466 HA GLU 61 HA GLU 61 0.343 -7.943 -13.793 467 HB2 GLU 61 HB2 GLU 61 -2.437 -7.009 -14.642 468 HB3 GLU 61 HB3 GLU 61 -0.971 -6.030 -14.725 469 HG2 GLU 61 HG2 GLU 61 -1.497 -8.593 -16.268 470 HG3 GLU 61 HG3 GLU 61 -1.555 -6.957 -16.921 471 H ASP 62 H ASP 62 -2.925 -7.679 -12.457 472 HA ASP 62 HA ASP 62 -2.598 -5.518 -10.732 473 HB2 ASP 62 HB2 ASP 62 -4.739 -6.456 -11.564 474 HB3 ASP 62 HB3 ASP 62 -4.508 -7.862 -10.550 475 H ILE 63 H ILE 63 -1.441 -8.747 -10.289 476 HA ILE 63 HA ILE 63 -1.276 -9.253 -7.590 477 HB ILE 63 HB ILE 63 0.962 -9.658 -9.642 478 HG12 ILE 63 HG12 ILE 63 -1.157 -10.739 -10.340 479 HG13 ILE 63 HG13 ILE 63 0.074 -11.937 -9.968 480 HG21 ILE 63 HG21 ILE 63 0.591 -11.043 -6.955 481 HG22 ILE 63 HG22 ILE 63 1.867 -9.901 -7.381 482 HG23 ILE 63 HG23 ILE 63 1.801 -11.477 -8.169 483 HD11 ILE 63 HD11 ILE 63 -2.235 -11.145 -8.214 484 HD12 ILE 63 HD12 ILE 63 -0.998 -12.341 -7.810 485 HD13 ILE 63 HD13 ILE 63 -2.086 -12.618 -9.170 486 H MET 64 H MET 64 0.956 -7.276 -9.504 487 HA MET 64 HA MET 64 2.074 -6.047 -7.058 488 HB2 MET 64 HB2 MET 64 4.133 -5.646 -8.718 489 HB3 MET 64 HB3 MET 64 3.953 -7.151 -7.835 490 HG2 MET 64 HG2 MET 64 4.608 -7.559 -10.147 491 HG3 MET 64 HG3 MET 64 3.009 -8.230 -9.814 492 HE1 MET 64 HE1 MET 64 2.263 -8.500 -12.277 493 HE2 MET 64 HE2 MET 64 3.890 -8.027 -12.782 494 HE3 MET 64 HE3 MET 64 2.479 -7.264 -13.517 495 H ARG 65 H ARG 65 0.518 -5.487 -10.121 496 HA ARG 65 HA ARG 65 1.025 -2.655 -10.263 497 HB2 ARG 65 HB2 ARG 65 -1.139 -4.384 -11.525 498 HB3 ARG 65 HB3 ARG 65 -0.984 -2.658 -11.836 499 HG2 ARG 65 HG2 ARG 65 1.054 -4.807 -12.518 500 HG3 ARG 65 HG3 ARG 65 0.014 -3.940 -13.652 501 HD2 ARG 65 HD2 ARG 65 1.152 -1.812 -12.990 502 HD3 ARG 65 HD3 ARG 65 2.245 -2.754 -11.966 503 HE ARG 65 HE ARG 65 2.187 -3.649 -14.702 504 HH11 ARG 65 HH11 ARG 65 3.727 -1.405 -12.482 505 HH12 ARG 65 HH12 ARG 65 5.082 -1.126 -13.521 506 HH21 ARG 65 HH21 ARG 65 3.969 -3.297 -16.039 507 HH22 ARG 65 HH22 ARG 65 5.227 -2.210 -15.539 508 H ALA 66 H ALA 66 -0.991 -4.596 -8.287 509 HA ALA 66 HA ALA 66 -1.931 -2.184 -6.889 510 HB1 ALA 66 HB1 ALA 66 -3.860 -2.933 -8.247 511 HB2 ALA 66 HB2 ALA 66 -4.168 -3.160 -6.525 512 HB3 ALA 66 HB3 ALA 66 -3.748 -4.547 -7.537 513 H GLU 67 H GLU 67 -2.347 -2.598 -4.626 514 HA GLU 67 HA GLU 67 -0.657 -4.690 -3.519 515 HB2 GLU 67 HB2 GLU 67 -0.502 -2.428 -2.575 516 HB3 GLU 67 HB3 GLU 67 -2.206 -2.458 -2.145 517 HG2 GLU 67 HG2 GLU 67 -1.847 -4.097 -0.435 518 HG3 GLU 67 HG3 GLU 67 -0.220 -4.448 -1.016 519 H ARG 68 H ARG 68 -1.341 -6.430 -2.381 520 HA ARG 68 HA ARG 68 -3.991 -7.420 -2.599 521 HB2 ARG 68 HB2 ARG 68 -3.208 -9.265 -1.134 522 HB3 ARG 68 HB3 ARG 68 -2.072 -8.942 -2.438 523 HG2 ARG 68 HG2 ARG 68 -0.641 -7.662 -0.818 524 HG3 ARG 68 HG3 ARG 68 -1.752 -8.121 0.475 525 HD2 ARG 68 HD2 ARG 68 0.206 -9.583 0.469 526 HD3 ARG 68 HD3 ARG 68 -1.234 -10.514 0.040 527 HE ARG 68 HE ARG 68 -0.411 -9.999 -2.377 528 HH11 ARG 68 HH11 ARG 68 1.678 -10.724 0.330 529 HH12 ARG 68 HH12 ARG 68 2.916 -11.423 -0.658 530 HH21 ARG 68 HH21 ARG 68 1.225 -10.921 -3.667 531 HH22 ARG 68 HH22 ARG 68 2.668 -11.533 -2.916 532 H ARG 69 H ARG 69 -5.711 -6.929 -1.392 533 HA ARG 69 HA ARG 69 -5.425 -5.405 1.093 534 HB2 ARG 69 HB2 ARG 69 -6.911 -4.643 -0.819 535 HB3 ARG 69 HB3 ARG 69 -7.944 -6.033 -0.506 536 HG2 ARG 69 HG2 ARG 69 -8.577 -5.173 1.652 537 HG3 ARG 69 HG3 ARG 69 -7.340 -3.912 1.580 538 HD2 ARG 69 HD2 ARG 69 -8.515 -2.863 -0.317 539 HD3 ARG 69 HD3 ARG 69 -9.748 -4.124 -0.259 540 HE ARG 69 HE ARG 69 -9.854 -3.108 2.228 541 HH11 ARG 69 HH11 ARG 69 -9.899 -1.528 -0.899 542 HH12 ARG 69 HH12 ARG 69 -10.901 -0.224 -0.358 543 HH21 ARG 69 HH21 ARG 69 -11.158 -1.412 2.921 544 HH22 ARG 69 HH22 ARG 69 -11.618 -0.164 1.808 545 H PHE 70 H PHE 70 -6.687 -6.071 2.968 546 HA PHE 70 HA PHE 70 -6.672 -9.006 3.283 547 HB2 PHE 70 HB2 PHE 70 -6.282 -6.701 5.228 548 HB3 PHE 70 HB3 PHE 70 -6.636 -8.329 5.800 549 HD1 PHE 70 HD1 PHE 70 -4.370 -6.982 3.105 550 HD2 PHE 70 HD2 PHE 70 -4.725 -9.295 6.682 551 HE1 PHE 70 HE1 PHE 70 -1.990 -7.560 2.969 552 HE2 PHE 70 HE2 PHE 70 -2.348 -9.865 6.536 553 HZ PHE 70 HZ PHE 70 -0.979 -9.000 4.683 554 H GLU 71 H GLU 71 -8.167 -9.684 5.138 555 HA GLU 71 HA GLU 71 -10.817 -8.437 5.127 556 HB2 GLU 71 HB2 GLU 71 -11.909 -10.617 4.650 557 HB3 GLU 71 HB3 GLU 71 -10.928 -10.081 3.289 558 HG2 GLU 71 HG2 GLU 71 -9.169 -11.654 3.844 559 HG3 GLU 71 HG3 GLU 71 -9.982 -12.109 5.343 560 H THR 72 H THR 72 -12.153 -9.360 6.877 561 HA THR 72 HA THR 72 -10.544 -10.103 9.200 562 HB THR 72 HB THR 72 -13.489 -9.306 9.083 563 HG1 THR 72 HG1 THR 72 -11.765 -7.444 10.067 564 HG21 THR 72 HG21 THR 72 -13.192 -8.755 11.471 565 HG22 THR 72 HG22 THR 72 -11.519 -9.309 11.403 566 HG23 THR 72 HG23 THR 72 -12.838 -10.464 11.189 567 H ARG 73 H ARG 73 -10.215 -12.315 9.188 568 HA ARG 73 HA ARG 73 -12.019 -14.250 8.107 569 HB2 ARG 73 HB2 ARG 73 -9.604 -14.630 9.944 570 HB3 ARG 73 HB3 ARG 73 -10.427 -15.920 9.071 571 HG2 ARG 73 HG2 ARG 73 -8.921 -13.601 7.805 572 HG3 ARG 73 HG3 ARG 73 -8.332 -15.260 7.960 573 HD2 ARG 73 HD2 ARG 73 -10.748 -14.362 6.344 574 HD3 ARG 73 HD3 ARG 73 -9.177 -14.818 5.683 575 HE ARG 73 HE ARG 73 -9.847 -17.047 7.003 576 HH11 ARG 73 HH11 ARG 73 -11.799 -15.132 4.777 577 HH12 ARG 73 HH12 ARG 73 -12.702 -16.505 4.231 578 HH21 ARG 73 HH21 ARG 73 -11.045 -18.801 6.259 579 HH22 ARG 73 HH22 ARG 73 -12.271 -18.571 5.055 580 H LEU 74 H LEU 74 -10.970 -13.589 11.478 581 HA LEU 74 HA LEU 74 -13.621 -14.513 12.476 582 HB2 LEU 74 HB2 LEU 74 -10.916 -14.650 13.877 583 HB3 LEU 74 HB3 LEU 74 -12.450 -15.135 14.585 584 HG LEU 74 HG LEU 74 -11.169 -16.490 12.171 585 HD11 LEU 74 HD11 LEU 74 -9.805 -16.832 14.171 586 HD12 LEU 74 HD12 LEU 74 -10.587 -18.328 13.674 587 HD13 LEU 74 HD13 LEU 74 -11.212 -17.424 15.058 588 HD21 LEU 74 HD21 LEU 74 -13.608 -16.736 12.199 589 HD22 LEU 74 HD22 LEU 74 -13.551 -17.339 13.858 590 HD23 LEU 74 HD23 LEU 74 -12.824 -18.277 12.549 591 H ALA 75 H ALA 75 -14.424 -13.314 14.365 592 HA ALA 75 HA ALA 75 -13.176 -10.711 14.912 593 HB1 ALA 75 HB1 ALA 75 -14.665 -10.288 12.991 594 HB2 ALA 75 HB2 ALA 75 -15.231 -9.454 14.439 595 HB3 ALA 75 HB3 ALA 75 -16.036 -10.931 13.898 596 H GLY 76 H GLY 76 -13.144 -10.455 17.041 597 HA2 GLY 76 HA2 GLY 76 -13.816 -10.198 19.207 598 HA3 GLY 76 HA3 GLY 76 -15.469 -10.355 18.648 599 H VAL 77 H VAL 77 -13.012 -12.815 18.246 600 HA VAL 77 HA VAL 77 -14.510 -14.649 20.024 601 HB VAL 77 HB VAL 77 -13.612 -16.504 18.629 602 HG11 VAL 77 HG11 VAL 77 -15.004 -16.110 16.612 603 HG12 VAL 77 HG12 VAL 77 -15.088 -14.391 17.005 604 HG13 VAL 77 HG13 VAL 77 -15.826 -15.578 18.082 605 HG21 VAL 77 HG21 VAL 77 -12.472 -16.027 16.464 606 HG22 VAL 77 HG22 VAL 77 -11.524 -15.459 17.839 607 HG23 VAL 77 HG23 VAL 77 -12.441 -14.306 16.868 608 H GLU 78 H GLU 78 -13.219 -16.269 21.117 609 HA GLU 78 HA GLU 78 -11.009 -15.110 22.503 610 HB2 GLU 78 HB2 GLU 78 -11.014 -17.193 23.825 611 HB3 GLU 78 HB3 GLU 78 -12.640 -16.535 23.659 612 HG2 GLU 78 HG2 GLU 78 -13.093 -18.190 21.853 613 HG3 GLU 78 HG3 GLU 78 -11.484 -18.870 22.109 614 H GLY 79 H GLY 79 -8.972 -16.403 22.899 615 HA2 GLY 79 HA2 GLY 79 -7.446 -16.518 20.529 616 HA3 GLY 79 HA3 GLY 79 -6.916 -17.016 22.130 617 H GLU 80 H GLU 80 -9.175 -18.980 22.247 618 HA GLU 80 HA GLU 80 -8.010 -21.349 21.326 619 HB2 GLU 80 HB2 GLU 80 -9.796 -21.249 23.050 620 HB3 GLU 80 HB3 GLU 80 -10.953 -20.715 21.842 621 HG2 GLU 80 HG2 GLU 80 -11.341 -23.040 22.330 622 HG3 GLU 80 HG3 GLU 80 -10.727 -22.899 20.683 623 H GLU 81 H GLU 81 -10.551 -19.315 19.896 624 HA GLU 81 HA GLU 81 -10.979 -20.910 17.569 625 HB2 GLU 81 HB2 GLU 81 -11.745 -18.017 18.120 626 HB3 GLU 81 HB3 GLU 81 -12.388 -19.019 16.819 627 HG2 GLU 81 HG2 GLU 81 -12.770 -19.468 19.801 628 HG3 GLU 81 HG3 GLU 81 -13.979 -18.874 18.665 629 H ILE 82 H ILE 82 -8.945 -18.121 18.286 630 HA ILE 82 HA ILE 82 -8.205 -17.445 15.628 631 HB ILE 82 HB ILE 82 -6.574 -17.008 18.176 632 HG12 ILE 82 HG12 ILE 82 -8.868 -16.053 18.394 633 HG13 ILE 82 HG13 ILE 82 -7.650 -14.788 18.323 634 HG21 ILE 82 HG21 ILE 82 -5.244 -16.671 16.142 635 HG22 ILE 82 HG22 ILE 82 -5.535 -15.132 16.950 636 HG23 ILE 82 HG23 ILE 82 -6.456 -15.557 15.504 637 HD11 ILE 82 HD11 ILE 82 -9.607 -14.185 17.049 638 HD12 ILE 82 HD12 ILE 82 -9.459 -15.638 16.063 639 HD13 ILE 82 HD13 ILE 82 -8.225 -14.378 15.974 640 H ALA 83 H ALA 83 -6.521 -19.364 18.122 641 HA ALA 83 HA ALA 83 -4.401 -20.313 16.488 642 HB1 ALA 83 HB1 ALA 83 -3.978 -21.911 18.311 643 HB2 ALA 83 HB2 ALA 83 -5.545 -21.518 19.027 644 HB3 ALA 83 HB3 ALA 83 -4.281 -20.291 18.944 645 H ALA 84 H ALA 84 -7.676 -21.416 17.045 646 HA ALA 84 HA ALA 84 -7.513 -24.059 16.089 647 HB1 ALA 84 HB1 ALA 84 -9.892 -22.182 15.949 648 HB2 ALA 84 HB2 ALA 84 -9.475 -23.216 17.315 649 HB3 ALA 84 HB3 ALA 84 -9.942 -23.943 15.778 650 H LEU 85 H LEU 85 -8.068 -20.969 14.381 651 HA LEU 85 HA LEU 85 -8.285 -22.258 11.799 652 HB2 LEU 85 HB2 LEU 85 -9.421 -20.084 12.267 653 HB3 LEU 85 HB3 LEU 85 -7.850 -19.317 12.397 654 HG LEU 85 HG LEU 85 -7.808 -20.698 9.897 655 HD11 LEU 85 HD11 LEU 85 -10.157 -20.962 9.944 656 HD12 LEU 85 HD12 LEU 85 -9.689 -19.837 8.674 657 HD13 LEU 85 HD13 LEU 85 -10.404 -19.226 10.169 658 HD21 LEU 85 HD21 LEU 85 -6.566 -18.702 10.247 659 HD22 LEU 85 HD22 LEU 85 -8.042 -17.740 10.457 660 HD23 LEU 85 HD23 LEU 85 -7.664 -18.453 8.886 661 H LEU 86 H LEU 86 -5.797 -20.415 13.557 662 HA LEU 86 HA LEU 86 -3.952 -20.104 11.465 663 HB2 LEU 86 HB2 LEU 86 -3.507 -20.185 14.467 664 HB3 LEU 86 HB3 LEU 86 -2.218 -19.820 13.327 665 HG LEU 86 HG LEU 86 -4.758 -18.174 13.695 666 HD11 LEU 86 HD11 LEU 86 -1.909 -17.558 14.530 667 HD12 LEU 86 HD12 LEU 86 -3.261 -17.943 15.601 668 HD13 LEU 86 HD13 LEU 86 -3.289 -16.461 14.650 669 HD21 LEU 86 HD21 LEU 86 -2.360 -17.654 11.903 670 HD22 LEU 86 HD22 LEU 86 -3.698 -16.536 12.188 671 HD23 LEU 86 HD23 LEU 86 -3.994 -18.070 11.377 672 H GLU 87 H GLU 87 -4.605 -22.853 13.528 673 HA GLU 87 HA GLU 87 -2.245 -24.338 12.833 674 HB2 GLU 87 HB2 GLU 87 -3.084 -26.095 14.145 675 HB3 GLU 87 HB3 GLU 87 -3.730 -24.666 14.922 676 HG2 GLU 87 HG2 GLU 87 -5.664 -25.854 14.940 677 HG3 GLU 87 HG3 GLU 87 -5.827 -25.267 13.299 678 H ARG 88 H ARG 88 -5.501 -23.988 11.504 679 HA ARG 88 HA ARG 88 -5.382 -26.273 9.761 680 HB2 ARG 88 HB2 ARG 88 -7.260 -23.869 9.719 681 HB3 ARG 88 HB3 ARG 88 -7.494 -25.364 8.812 682 HG2 ARG 88 HG2 ARG 88 -7.672 -26.618 10.931 683 HG3 ARG 88 HG3 ARG 88 -7.430 -25.122 11.827 684 HD2 ARG 88 HD2 ARG 88 -9.771 -25.582 11.846 685 HD3 ARG 88 HD3 ARG 88 -9.527 -24.229 10.736 686 HE ARG 88 HE ARG 88 -9.466 -26.622 9.261 687 HH11 ARG 88 HH11 ARG 88 -11.768 -24.617 10.992 688 HH12 ARG 88 HH12 ARG 88 -13.136 -25.237 10.128 689 HH21 ARG 88 HH21 ARG 88 -11.242 -27.428 8.147 690 HH22 ARG 88 HH22 ARG 88 -12.836 -26.839 8.504 691 H GLU 89 H GLU 89 -4.734 -22.828 9.482 692 HA GLU 89 HA GLU 89 -4.445 -22.761 6.638 693 HB2 GLU 89 HB2 GLU 89 -3.624 -20.755 8.773 694 HB3 GLU 89 HB3 GLU 89 -3.507 -20.459 7.037 695 HG2 GLU 89 HG2 GLU 89 -6.015 -20.912 8.666 696 HG3 GLU 89 HG3 GLU 89 -5.508 -19.420 7.878 697 H ARG 90 H ARG 90 -2.121 -22.770 9.369 698 HA ARG 90 HA ARG 90 0.219 -22.913 7.731 699 HB2 ARG 90 HB2 ARG 90 1.481 -23.552 9.698 700 HB3 ARG 90 HB3 ARG 90 0.325 -22.299 10.132 701 HG2 ARG 90 HG2 ARG 90 -1.158 -24.051 11.094 702 HG3 ARG 90 HG3 ARG 90 0.076 -25.260 10.732 703 HD2 ARG 90 HD2 ARG 90 1.639 -24.181 12.248 704 HD3 ARG 90 HD3 ARG 90 0.515 -22.844 12.519 705 HE ARG 90 HE ARG 90 -0.532 -25.457 13.216 706 HH11 ARG 90 HH11 ARG 90 1.264 -22.690 14.433 707 HH12 ARG 90 HH12 ARG 90 0.857 -23.000 16.087 708 HH21 ARG 90 HH21 ARG 90 -1.085 -25.831 15.380 709 HH22 ARG 90 HH22 ARG 90 -0.486 -24.783 16.622 710 H ARG 91 H ARG 91 -1.996 -25.366 8.823 711 HA ARG 91 HA ARG 91 -0.584 -27.712 8.133 712 HB2 ARG 91 HB2 ARG 91 -2.690 -27.641 9.476 713 HB3 ARG 91 HB3 ARG 91 -3.576 -27.141 8.038 714 HG2 ARG 91 HG2 ARG 91 -2.967 -29.330 6.974 715 HG3 ARG 91 HG3 ARG 91 -2.247 -29.830 8.508 716 HD2 ARG 91 HD2 ARG 91 -4.408 -29.648 9.628 717 HD3 ARG 91 HD3 ARG 91 -5.145 -28.979 8.167 718 HE ARG 91 HE ARG 91 -4.041 -31.730 8.259 719 HH11 ARG 91 HH11 ARG 91 -6.680 -29.543 7.438 720 HH12 ARG 91 HH12 ARG 91 -7.669 -30.804 6.777 721 HH21 ARG 91 HH21 ARG 91 -5.343 -33.354 7.371 722 HH22 ARG 91 HH22 ARG 91 -6.912 -32.968 6.748 723 H PHE 92 H PHE 92 -2.787 -25.625 6.251 724 HA PHE 92 HA PHE 92 -2.567 -27.309 3.889 725 HB2 PHE 92 HB2 PHE 92 -4.729 -26.137 4.763 726 HB3 PHE 92 HB3 PHE 92 -4.082 -24.677 4.023 727 HD1 PHE 92 HD2 PHE 92 -5.161 -28.165 3.326 728 HD2 PHE 92 HD1 PHE 92 -4.262 -24.343 1.621 729 HE1 PHE 92 HE2 PHE 92 -6.044 -28.922 1.156 730 HE2 PHE 92 HE1 PHE 92 -5.144 -25.113 -0.547 731 HZ PHE 92 HZ PHE 92 -6.034 -27.399 -0.782 732 H ASP 93 H ASP 93 -1.053 -24.494 5.144 733 HA ASP 93 HA ASP 93 0.793 -24.208 2.971 734 HB2 ASP 93 HB2 ASP 93 -1.157 -22.967 1.986 735 HB3 ASP 93 HB3 ASP 93 -1.206 -21.921 3.397 736 H SER 94 H SER 94 2.479 -24.232 4.418 737 HA SER 94 HA SER 94 2.405 -22.883 6.974 738 HB2 SER 94 HB2 SER 94 3.568 -25.085 6.572 739 HB3 SER 94 HB3 SER 94 4.771 -24.241 5.597 740 HG SER 94 HG SER 94 5.197 -24.656 7.949 741 H ASP 95 H ASP 95 2.844 -21.656 3.931 742 HA ASP 95 HA ASP 95 5.015 -19.796 4.549 743 HB2 ASP 95 HB2 ASP 95 3.426 -20.384 2.029 744 HB3 ASP 95 HB3 ASP 95 4.563 -19.038 2.130 745 H LEU 96 H LEU 96 1.959 -19.764 5.568 746 HA LEU 96 HA LEU 96 1.386 -16.967 5.127 747 HB2 LEU 96 HB2 LEU 96 -0.373 -17.092 6.688 748 HB3 LEU 96 HB3 LEU 96 -0.401 -18.637 5.859 749 HG LEU 96 HG LEU 96 0.899 -18.289 8.591 750 HD11 LEU 96 HD11 LEU 96 -1.963 -19.126 8.035 751 HD12 LEU 96 HD12 LEU 96 -1.443 -17.632 8.817 752 HD13 LEU 96 HD13 LEU 96 -1.151 -19.180 9.605 753 HD21 LEU 96 HD21 LEU 96 1.572 -20.268 7.343 754 HD22 LEU 96 HD22 LEU 96 -0.121 -20.748 7.175 755 HD23 LEU 96 HD23 LEU 96 0.630 -20.682 8.772 756 H TRP 97 H TRP 97 1.690 -15.272 6.599 757 HA TRP 97 HA TRP 97 3.758 -15.637 8.676 758 HB2 TRP 97 HB2 TRP 97 2.757 -13.126 7.254 759 HB3 TRP 97 HB3 TRP 97 3.957 -13.129 8.538 760 HD1 TRP 97 HD1 TRP 97 3.659 -15.017 5.115 761 HE1 TRP 97 HE1 TRP 97 5.929 -14.846 3.943 762 HE3 TRP 97 HE3 TRP 97 6.166 -12.277 8.605 763 HZ2 TRP 97 HZ2 TRP 97 8.457 -13.703 4.407 764 HZ3 TRP 97 HZ3 TRP 97 8.514 -11.670 8.170 765 HH2 TRP 97 HH2 TRP 97 9.636 -12.371 6.112 766 H VAL 98 H VAL 98 3.019 -15.643 10.737 767 HA VAL 98 HA VAL 98 0.323 -14.591 11.305 768 HB VAL 98 HB VAL 98 2.101 -16.344 13.055 769 HG11 VAL 98 HG11 VAL 98 0.114 -16.546 14.537 770 HG12 VAL 98 HG12 VAL 98 -0.750 -15.385 13.527 771 HG13 VAL 98 HG13 VAL 98 0.678 -14.875 14.432 772 HG21 VAL 98 HG21 VAL 98 0.444 -18.135 12.608 773 HG22 VAL 98 HG22 VAL 98 1.204 -17.586 11.112 774 HG23 VAL 98 HG23 VAL 98 -0.431 -17.058 11.517 775 H VAL 99 H VAL 99 0.243 -12.575 11.974 776 HA VAL 99 HA VAL 99 2.541 -11.415 13.484 777 HB VAL 99 HB VAL 99 0.511 -9.690 12.020 778 HG11 VAL 99 HG11 VAL 99 3.402 -9.182 12.766 779 HG12 VAL 99 HG12 VAL 99 1.980 -8.562 13.608 780 HG13 VAL 99 HG13 VAL 99 2.327 -8.035 11.958 781 HG21 VAL 99 HG21 VAL 99 1.359 -11.252 10.298 782 HG22 VAL 99 HG22 VAL 99 3.019 -10.823 10.720 783 HG23 VAL 99 HG23 VAL 99 1.947 -9.610 10.014 784 H GLU 100 H GLU 100 2.048 -11.148 15.611 785 HA GLU 100 HA GLU 100 -0.736 -10.839 16.444 786 HB2 GLU 100 HB2 GLU 100 0.153 -10.877 18.768 787 HB3 GLU 100 HB3 GLU 100 0.584 -12.309 17.847 788 HG2 GLU 100 HG2 GLU 100 2.866 -11.576 17.627 789 HG3 GLU 100 HG3 GLU 100 2.478 -9.984 18.280 790 H ILE 101 H ILE 101 -1.512 -8.882 16.026 791 HA ILE 101 HA ILE 101 -0.052 -6.489 16.967 792 HB ILE 101 HB ILE 101 -1.647 -5.114 15.709 793 HG12 ILE 101 HG12 ILE 101 -2.953 -7.689 14.722 794 HG13 ILE 101 HG13 ILE 101 -3.644 -6.644 15.947 795 HG21 ILE 101 HG21 ILE 101 0.338 -5.907 14.492 796 HG22 ILE 101 HG22 ILE 101 -1.027 -5.752 13.391 797 HG23 ILE 101 HG23 ILE 101 -0.532 -7.348 13.962 798 HD11 ILE 101 HD11 ILE 101 -3.132 -5.905 13.078 799 HD12 ILE 101 HD12 ILE 101 -3.802 -4.831 14.312 800 HD13 ILE 101 HD13 ILE 101 -4.690 -6.273 13.820 801 H GLU 102 H GLU 102 -1.391 -4.928 18.212 802 HA GLU 102 HA GLU 102 -3.408 -6.162 19.943 803 HB2 GLU 102 HB2 GLU 102 -0.971 -6.580 20.789 804 HB3 GLU 102 HB3 GLU 102 -0.926 -4.862 21.144 805 HG2 GLU 102 HG2 GLU 102 -2.847 -6.880 22.338 806 HG3 GLU 102 HG3 GLU 102 -1.412 -6.244 23.127 807 H THR 103 H THR 103 -4.977 -4.737 19.778 808 HA THR 103 HA THR 103 -4.828 -1.986 20.394 809 HB THR 103 HB THR 103 -3.682 -1.641 18.279 810 HG1 THR 103 HG1 THR 103 -5.689 -0.639 17.054 811 HG21 THR 103 HG21 THR 103 -5.921 -3.182 16.919 812 HG22 THR 103 HG22 THR 103 -4.272 -3.763 17.162 813 HG23 THR 103 HG23 THR 103 -4.572 -2.381 16.109 814 H ASP 104 H ASP 104 -6.935 -0.888 19.930 815 HA ASP 104 HA ASP 104 -9.197 -2.745 20.228 816 HB2 ASP 104 HB2 ASP 104 -10.446 -0.748 20.971 817 HB3 ASP 104 HB3 ASP 104 -8.948 -0.930 21.878 818 H GLU 105 H GLU 105 -7.860 -0.454 17.980 819 HA GLU 105 HA GLU 105 -10.183 -0.689 16.140 820 HB2 GLU 105 HB2 GLU 105 -9.449 1.522 15.212 821 HB3 GLU 105 HB3 GLU 105 -9.930 1.610 16.899 822 HG2 GLU 105 HG2 GLU 105 -7.562 1.596 17.587 823 HG3 GLU 105 HG3 GLU 105 -7.077 1.498 15.893 824 H ILE 106 H ILE 106 -9.711 -0.957 13.878 825 HA ILE 106 HA ILE 106 -7.052 -2.176 13.372 826 HB ILE 106 HB ILE 106 -8.880 -3.840 13.450 827 HG12 ILE 106 HG12 ILE 106 -8.407 -4.956 11.256 828 HG13 ILE 106 HG13 ILE 106 -7.698 -3.460 10.665 829 HG21 ILE 106 HG21 ILE 106 -10.780 -2.478 12.729 830 HG22 ILE 106 HG22 ILE 106 -10.648 -3.922 11.721 831 HG23 ILE 106 HG23 ILE 106 -10.106 -2.361 11.101 832 HD11 ILE 106 HD11 ILE 106 -6.666 -5.080 12.989 833 HD12 ILE 106 HD12 ILE 106 -5.927 -3.624 12.315 834 HD13 ILE 106 HD13 ILE 106 -6.027 -5.092 11.348 835 H GLY 107 H GLY 107 -9.503 0.033 12.092 836 HA2 GLY 107 HA2 GLY 107 -8.822 -0.095 9.344 837 HA3 GLY 107 HA3 GLY 107 -9.733 1.186 10.121 838 H THR 108 H THR 108 -7.484 1.810 11.950 839 HA THR 108 HA THR 108 -6.190 3.789 10.283 840 HB THR 108 HB THR 108 -7.042 4.282 12.583 841 HG1 THR 108 HG1 THR 108 -4.933 5.299 13.277 842 HG21 THR 108 HG21 THR 108 -6.382 2.173 13.713 843 HG22 THR 108 HG22 THR 108 -5.746 3.583 14.557 844 HG23 THR 108 HG23 THR 108 -4.678 2.615 13.542 845 H LEU 109 H LEU 109 -5.381 0.567 11.036 846 HA LEU 109 HA LEU 109 -2.510 1.011 10.568 847 HB2 LEU 109 HB2 LEU 109 -2.007 -0.626 12.477 848 HB3 LEU 109 HB3 LEU 109 -2.471 1.004 12.901 849 HG LEU 109 HG LEU 109 -4.908 -0.082 13.150 850 HD11 LEU 109 HD11 LEU 109 -4.912 -2.349 13.988 851 HD12 LEU 109 HD12 LEU 109 -3.177 -2.498 13.715 852 HD13 LEU 109 HD13 LEU 109 -4.276 -2.322 12.342 853 HD21 LEU 109 HD21 LEU 109 -3.699 1.043 14.957 854 HD22 LEU 109 HD22 LEU 109 -2.760 -0.419 15.268 855 HD23 LEU 109 HD23 LEU 109 -4.504 -0.411 15.548 856 H LEU 110 H LEU 110 -5.201 -0.694 9.674 857 HA LEU 110 HA LEU 110 -3.695 -2.320 7.842 858 HB2 LEU 110 HB2 LEU 110 -3.646 -3.847 9.781 859 HB3 LEU 110 HB3 LEU 110 -5.382 -3.718 9.958 860 HG LEU 110 HG LEU 110 -5.709 -4.910 7.803 861 HD11 LEU 110 HD11 LEU 110 -3.691 -4.234 6.624 862 HD12 LEU 110 HD12 LEU 110 -3.848 -5.988 6.642 863 HD13 LEU 110 HD13 LEU 110 -2.699 -5.196 7.724 864 HD21 LEU 110 HD21 LEU 110 -5.016 -7.149 8.530 865 HD22 LEU 110 HD22 LEU 110 -5.666 -6.222 9.880 866 HD23 LEU 110 HD23 LEU 110 -3.921 -6.440 9.723 867 H THR 111 H THR 111 -4.919 -2.782 6.040 868 HA THR 111 HA THR 111 -7.560 -1.491 5.886 869 HB THR 111 HB THR 111 -5.638 -2.245 3.643 870 HG1 THR 111 HG1 THR 111 -5.398 -0.312 5.333 871 HG21 THR 111 HG21 THR 111 -7.979 -2.202 2.877 872 HG22 THR 111 HG22 THR 111 -7.094 -0.814 2.233 873 HG23 THR 111 HG23 THR 111 -8.196 -0.606 3.597 874 H LEU 112 H LEU 112 -9.390 -2.604 5.356 875 HA LEU 112 HA LEU 112 -9.218 -5.489 4.681 876 HB2 LEU 112 HB2 LEU 112 -11.150 -4.262 6.690 877 HB3 LEU 112 HB3 LEU 112 -11.020 -5.967 6.274 878 HG LEU 112 HG LEU 112 -8.736 -4.435 7.563 879 HD11 LEU 112 HD11 LEU 112 -10.594 -4.276 9.054 880 HD12 LEU 112 HD12 LEU 112 -9.386 -5.387 9.695 881 HD13 LEU 112 HD13 LEU 112 -10.865 -6.018 8.964 882 HD21 LEU 112 HD21 LEU 112 -8.072 -6.492 6.428 883 HD22 LEU 112 HD22 LEU 112 -9.255 -7.408 7.364 884 HD23 LEU 112 HD23 LEU 112 -7.886 -6.641 8.175 885 H VAL 113 H VAL 113 -10.836 -6.269 3.347 886 HA VAL 113 HA VAL 113 -12.628 -4.490 1.939 887 HB VAL 113 HB VAL 113 -13.421 -6.585 0.771 888 HG11 VAL 113 HG11 VAL 113 -11.339 -7.092 -0.459 889 HG12 VAL 113 HG12 VAL 113 -10.396 -6.270 0.789 890 HG13 VAL 113 HG13 VAL 113 -11.533 -5.353 -0.202 891 HG21 VAL 113 HG21 VAL 113 -13.090 -8.212 2.619 892 HG22 VAL 113 HG22 VAL 113 -11.340 -8.030 2.474 893 HG23 VAL 113 HG23 VAL 113 -12.263 -8.744 1.150 894 H ASP 114 H ASP 114 -12.713 -6.560 4.707 895 HA ASP 114 HA ASP 114 -15.551 -7.146 4.652 896 HB2 ASP 114 HB2 ASP 114 -13.853 -8.825 5.421 897 HB3 ASP 114 HB3 ASP 114 -13.446 -7.774 6.776 898 H GLN 115 H GLN 115 -13.489 -5.792 7.283 899 HA GLN 115 HA GLN 115 -15.583 -4.298 8.500 900 HB2 GLN 115 HB2 GLN 115 -12.555 -4.138 8.757 901 HB3 GLN 115 HB3 GLN 115 -13.630 -3.126 9.711 902 HG2 GLN 115 HG2 GLN 115 -13.647 -6.160 9.764 903 HG3 GLN 115 HG3 GLN 115 -12.772 -5.150 10.911 904 HE21 GLN 115 HE21 GLN 115 -13.958 -3.873 12.392 905 HE22 GLN 115 HE22 GLN 115 -15.594 -4.249 12.789 906 HA PRO 116 HA PRO 116 -15.758 -0.656 5.891 907 HB2 PRO 116 HB2 PRO 116 -16.481 1.308 7.665 908 HB3 PRO 116 HB3 PRO 116 -17.595 0.032 7.145 909 HG2 PRO 116 HG2 PRO 116 -15.903 0.159 9.646 910 HG3 PRO 116 HG3 PRO 116 -17.628 -0.240 9.494 911 HD2 PRO 116 HD2 PRO 116 -15.761 -2.174 9.734 912 HD3 PRO 116 HD3 PRO 116 -17.183 -2.408 8.690 913 H GLN 117 H GLN 117 -14.827 1.472 5.531 914 HA GLN 117 HA GLN 117 -12.010 1.575 6.166 915 HB2 GLN 117 HB2 GLN 117 -13.755 3.398 4.460 916 HB3 GLN 117 HB3 GLN 117 -12.016 3.581 4.627 917 HG2 GLN 117 HG2 GLN 117 -12.358 2.480 2.561 918 HG3 GLN 117 HG3 GLN 117 -11.770 1.252 3.672 919 HE21 GLN 117 HE21 GLN 117 -15.110 2.470 3.487 920 HE22 GLN 117 HE22 GLN 117 -15.799 0.987 2.935 921 H ALA 118 H ALA 118 -11.265 4.127 6.408 922 HA ALA 118 HA ALA 118 -12.779 5.475 8.522 923 HB1 ALA 118 HB1 ALA 118 -11.409 3.832 9.757 924 HB2 ALA 118 HB2 ALA 118 -10.873 5.480 10.093 925 HB3 ALA 118 HB3 ALA 118 -9.949 4.460 8.990 Start of MODEL 6 1 H MET 1 H MET 1 2.866 0.108 1.086 2 HA MET 1 HA MET 1 1.997 0.556 -1.097 3 HB2 MET 1 HB2 MET 1 4.931 1.368 -0.905 4 HB3 MET 1 HB3 MET 1 3.663 2.239 -1.768 5 HG2 MET 1 HG2 MET 1 2.601 2.842 0.325 6 HG3 MET 1 HG3 MET 1 3.738 1.837 1.232 7 HE1 MET 1 HE1 MET 1 4.535 3.725 2.864 8 HE2 MET 1 HE2 MET 1 3.301 4.774 2.161 9 HE3 MET 1 HE3 MET 1 4.957 5.354 2.336 10 H ARG 2 H ARG 2 1.987 -1.841 -1.776 11 HA ARG 2 HA ARG 2 2.452 -3.589 -3.140 12 HB2 ARG 2 HB2 ARG 2 3.871 -1.575 -4.919 13 HB3 ARG 2 HB3 ARG 2 3.327 -3.184 -5.396 14 HG2 ARG 2 HG2 ARG 2 0.971 -2.449 -4.989 15 HG3 ARG 2 HG3 ARG 2 1.569 -0.825 -4.628 16 HD2 ARG 2 HD2 ARG 2 1.848 -2.315 -7.263 17 HD3 ARG 2 HD3 ARG 2 0.776 -0.946 -6.928 18 HE ARG 2 HE ARG 2 3.221 0.056 -6.328 19 HH11 ARG 2 HH11 ARG 2 2.013 -1.593 -9.189 20 HH12 ARG 2 HH12 ARG 2 3.073 -0.743 -10.262 21 HH21 ARG 2 HH21 ARG 2 4.609 1.130 -7.732 22 HH22 ARG 2 HH22 ARG 2 4.542 0.810 -9.436 23 H LEU 3 H LEU 3 3.706 -4.586 -1.650 24 HA LEU 3 HA LEU 3 6.598 -4.684 -2.047 25 HB2 LEU 3 HB2 LEU 3 6.713 -4.621 0.604 26 HB3 LEU 3 HB3 LEU 3 6.718 -3.148 -0.323 27 HG LEU 3 HG LEU 3 4.407 -2.668 0.256 28 HD11 LEU 3 HD11 LEU 3 3.479 -4.938 0.241 29 HD12 LEU 3 HD12 LEU 3 3.024 -4.026 1.673 30 HD13 LEU 3 HD13 LEU 3 4.274 -5.271 1.783 31 HD21 LEU 3 HD21 LEU 3 5.923 -3.497 2.756 32 HD22 LEU 3 HD22 LEU 3 4.583 -2.346 2.682 33 HD23 LEU 3 HD23 LEU 3 6.108 -1.973 1.886 34 H LYS 4 H LYS 4 7.456 -6.440 -0.392 35 HA LYS 4 HA LYS 4 6.074 -8.902 -1.027 36 HB2 LYS 4 HB2 LYS 4 8.659 -8.334 0.479 37 HB3 LYS 4 HB3 LYS 4 8.058 -9.953 0.135 38 HG2 LYS 4 HG2 LYS 4 8.154 -9.425 -2.309 39 HG3 LYS 4 HG3 LYS 4 8.904 -7.875 -1.907 40 HD2 LYS 4 HD2 LYS 4 10.045 -10.606 -1.163 41 HD3 LYS 4 HD3 LYS 4 10.542 -9.666 -2.575 42 HE2 LYS 4 HE2 LYS 4 10.836 -8.806 0.324 43 HE3 LYS 4 HE3 LYS 4 12.129 -9.410 -0.710 44 HZ1 LYS 4 HZ1 LYS 4 12.180 -7.021 -0.587 45 HZ2 LYS 4 HZ2 LYS 4 10.586 -6.910 -1.134 46 HZ3 LYS 4 HZ3 LYS 4 11.791 -7.496 -2.164 47 H SER 5 H SER 5 5.895 -10.608 0.706 48 HA SER 5 HA SER 5 3.983 -9.932 2.645 49 HB2 SER 5 HB2 SER 5 5.758 -12.406 2.537 50 HB3 SER 5 HB3 SER 5 4.177 -12.277 3.319 51 HG SER 5 HG SER 5 3.219 -12.138 1.341 52 H GLU 6 H GLU 6 7.438 -10.675 2.971 53 HA GLU 6 HA GLU 6 7.670 -10.422 5.777 54 HB2 GLU 6 HB2 GLU 6 9.327 -11.613 4.365 55 HB3 GLU 6 HB3 GLU 6 9.779 -10.095 3.599 56 HG2 GLU 6 HG2 GLU 6 10.665 -9.253 5.721 57 HG3 GLU 6 HG3 GLU 6 10.135 -10.712 6.550 58 H MET 7 H MET 7 7.923 -8.146 3.121 59 HA MET 7 HA MET 7 8.931 -5.946 4.661 60 HB2 MET 7 HB2 MET 7 9.261 -6.291 2.160 61 HB3 MET 7 HB3 MET 7 7.574 -5.854 1.935 62 HG2 MET 7 HG2 MET 7 8.963 -3.963 1.421 63 HG3 MET 7 HG3 MET 7 8.072 -3.608 2.897 64 HE1 MET 7 HE1 MET 7 9.377 -4.145 5.421 65 HE2 MET 7 HE2 MET 7 9.253 -2.472 4.874 66 HE3 MET 7 HE3 MET 7 10.775 -3.075 5.531 67 H PHE 8 H PHE 8 5.742 -7.226 3.920 68 HA PHE 8 HA PHE 8 4.266 -4.820 4.509 69 HB2 PHE 8 HB2 PHE 8 3.330 -6.558 2.971 70 HB3 PHE 8 HB3 PHE 8 3.218 -7.689 4.319 71 HD1 PHE 8 HD1 PHE 8 1.852 -4.528 2.916 72 HD2 PHE 8 HD2 PHE 8 1.379 -7.508 5.945 73 HE1 PHE 8 HE1 PHE 8 -0.332 -3.583 3.501 74 HE2 PHE 8 HE2 PHE 8 -0.817 -6.550 6.520 75 HZ PHE 8 HZ PHE 8 -1.670 -4.590 5.302 76 H VAL 9 H VAL 9 4.894 -7.918 6.191 77 HA VAL 9 HA VAL 9 3.412 -7.371 8.526 78 HB VAL 9 HB VAL 9 4.728 -9.152 9.654 79 HG11 VAL 9 HG11 VAL 9 2.833 -9.787 8.246 80 HG12 VAL 9 HG12 VAL 9 4.092 -11.019 8.180 81 HG13 VAL 9 HG13 VAL 9 3.888 -9.891 6.835 82 HG21 VAL 9 HG21 VAL 9 6.957 -8.717 8.717 83 HG22 VAL 9 HG22 VAL 9 6.409 -9.252 7.129 84 HG23 VAL 9 HG23 VAL 9 6.490 -10.400 8.467 85 H SER 10 H SER 10 6.820 -6.787 7.728 86 HA SER 10 HA SER 10 7.721 -5.761 10.180 87 HB2 SER 10 HB2 SER 10 9.246 -6.408 8.346 88 HB3 SER 10 HB3 SER 10 8.645 -5.082 7.352 89 HG SER 10 HG SER 10 10.598 -4.533 8.369 90 H ALA 11 H ALA 11 6.359 -4.125 7.329 91 HA ALA 11 HA ALA 11 6.492 -1.462 8.284 92 HB1 ALA 11 HB1 ALA 11 5.006 -0.911 6.409 93 HB2 ALA 11 HB2 ALA 11 4.629 -2.622 6.183 94 HB3 ALA 11 HB3 ALA 11 6.266 -2.030 5.891 95 H LEU 12 H LEU 12 4.039 -3.972 8.608 96 HA LEU 12 HA LEU 12 1.876 -2.377 9.530 97 HB2 LEU 12 HB2 LEU 12 1.858 -4.768 8.560 98 HB3 LEU 12 HB3 LEU 12 2.285 -5.313 10.169 99 HG LEU 12 HG LEU 12 -0.261 -3.740 9.576 100 HD11 LEU 12 HD11 LEU 12 0.056 -6.748 9.675 101 HD12 LEU 12 HD12 LEU 12 -0.292 -5.775 8.246 102 HD13 LEU 12 HD13 LEU 12 -1.472 -5.867 9.548 103 HD21 LEU 12 HD21 LEU 12 -1.111 -4.691 11.684 104 HD22 LEU 12 HD22 LEU 12 0.334 -3.723 11.956 105 HD23 LEU 12 HD23 LEU 12 0.445 -5.484 11.964 106 H ILE 13 H ILE 13 4.423 -4.173 11.121 107 HA ILE 13 HA ILE 13 3.698 -3.752 13.811 108 HB ILE 13 HB ILE 13 6.413 -4.265 12.520 109 HG12 ILE 13 HG12 ILE 13 4.599 -6.257 13.970 110 HG13 ILE 13 HG13 ILE 13 4.536 -6.008 12.234 111 HG21 ILE 13 HG21 ILE 13 7.221 -5.012 14.730 112 HG22 ILE 13 HG22 ILE 13 5.701 -4.501 15.464 113 HG23 ILE 13 HG23 ILE 13 6.779 -3.302 14.748 114 HD11 ILE 13 HD11 ILE 13 5.785 -7.961 12.803 115 HD12 ILE 13 HD12 ILE 13 6.901 -7.016 13.789 116 HD13 ILE 13 HD13 ILE 13 6.830 -6.765 12.040 117 H ARG 14 H ARG 14 5.513 -1.741 11.510 118 HA ARG 14 HA ARG 14 6.385 0.223 13.421 119 HB2 ARG 14 HB2 ARG 14 5.942 0.865 10.487 120 HB3 ARG 14 HB3 ARG 14 7.132 1.549 11.594 121 HG2 ARG 14 HG2 ARG 14 7.125 -1.222 10.403 122 HG3 ARG 14 HG3 ARG 14 8.190 0.108 9.962 123 HD2 ARG 14 HD2 ARG 14 9.356 -0.028 12.052 124 HD3 ARG 14 HD3 ARG 14 8.136 -1.114 12.736 125 HE ARG 14 HE ARG 14 9.252 -2.290 10.422 126 HH11 ARG 14 HH11 ARG 14 10.174 -1.560 13.733 127 HH12 ARG 14 HH12 ARG 14 11.219 -2.935 13.863 128 HH21 ARG 14 HH21 ARG 14 10.575 -4.100 10.628 129 HH22 ARG 14 HH22 ARG 14 11.448 -4.380 12.096 130 H ARG 15 H ARG 15 3.490 -0.228 11.455 131 HA ARG 15 HA ARG 15 2.321 2.346 11.738 132 HB2 ARG 15 HB2 ARG 15 0.942 -0.340 11.310 133 HB3 ARG 15 HB3 ARG 15 0.170 1.232 11.111 134 HG2 ARG 15 HG2 ARG 15 1.699 1.742 9.239 135 HG3 ARG 15 HG3 ARG 15 2.478 0.173 9.448 136 HD2 ARG 15 HD2 ARG 15 0.238 -0.916 8.993 137 HD3 ARG 15 HD3 ARG 15 -0.398 0.691 8.606 138 HE ARG 15 HE ARG 15 1.968 -0.001 7.123 139 HH11 ARG 15 HH11 ARG 15 -1.555 -0.237 7.083 140 HH12 ARG 15 HH12 ARG 15 -1.616 -0.549 5.377 141 HH21 ARG 15 HH21 ARG 15 1.848 -0.415 4.910 142 HH22 ARG 15 HH22 ARG 15 0.307 -0.658 4.154 143 H VAL 16 H VAL 16 2.056 -0.651 13.652 144 HA VAL 16 HA VAL 16 0.038 0.380 15.413 145 HB VAL 16 HB VAL 16 0.161 -1.643 16.679 146 HG11 VAL 16 HG11 VAL 16 0.683 -2.386 13.782 147 HG12 VAL 16 HG12 VAL 16 -0.866 -1.896 14.462 148 HG13 VAL 16 HG13 VAL 16 -0.114 -3.400 14.991 149 HG21 VAL 16 HG21 VAL 16 2.621 -1.765 16.952 150 HG22 VAL 16 HG22 VAL 16 2.761 -2.363 15.298 151 HG23 VAL 16 HG23 VAL 16 1.906 -3.313 16.516 152 H PHE 17 H PHE 17 3.601 0.044 15.630 153 HA PHE 17 HA PHE 17 3.809 0.985 18.330 154 HB2 PHE 17 HB2 PHE 17 5.802 0.550 16.095 155 HB3 PHE 17 HB3 PHE 17 6.297 1.494 17.491 156 HD1 PHE 17 HD1 PHE 17 4.966 -1.864 16.510 157 HD2 PHE 17 HD2 PHE 17 7.033 0.414 19.465 158 HE1 PHE 17 HE1 PHE 17 5.544 -3.929 17.696 159 HE2 PHE 17 HE2 PHE 17 7.598 -1.663 20.656 160 HZ PHE 17 HZ PHE 17 6.862 -3.834 19.769 161 H ALA 18 H ALA 18 3.800 2.548 15.155 162 HA ALA 18 HA ALA 18 4.318 5.223 15.986 163 HB1 ALA 18 HB1 ALA 18 3.287 5.887 13.846 164 HB2 ALA 18 HB2 ALA 18 2.644 4.253 13.645 165 HB3 ALA 18 HB3 ALA 18 4.386 4.524 13.623 166 H ALA 19 H ALA 19 1.390 3.271 15.868 167 HA ALA 19 HA ALA 19 -0.451 5.327 16.680 168 HB1 ALA 19 HB1 ALA 19 -2.074 3.486 16.892 169 HB2 ALA 19 HB2 ALA 19 -0.772 2.305 16.714 170 HB3 ALA 19 HB3 ALA 19 -1.180 3.376 15.373 171 H GLY 20 H GLY 20 1.686 3.126 18.340 172 HA2 GLY 20 HA2 GLY 20 2.393 3.713 20.595 173 HA3 GLY 20 HA3 GLY 20 0.719 4.058 21.001 174 H GLY 21 H GLY 21 0.395 1.427 19.177 175 HA2 GLY 21 HA2 GLY 21 0.117 -0.430 21.380 176 HA3 GLY 21 HA3 GLY 21 -0.286 -0.706 19.694 177 H PHE 22 H PHE 22 0.658 -2.831 20.205 178 HA PHE 22 HA PHE 22 3.601 -2.938 19.845 179 HB2 PHE 22 HB2 PHE 22 3.140 -3.485 22.192 180 HB3 PHE 22 HB3 PHE 22 1.895 -4.638 21.730 181 HD1 PHE 22 HD1 PHE 22 5.567 -4.005 21.709 182 HD2 PHE 22 HD2 PHE 22 2.482 -6.925 21.216 183 HE1 PHE 22 HE1 PHE 22 7.253 -5.795 21.708 184 HE2 PHE 22 HE2 PHE 22 4.176 -8.711 21.218 185 HZ PHE 22 HZ PHE 22 6.563 -8.146 21.462 186 H ALA 23 H ALA 23 4.315 -4.864 18.731 187 HA ALA 23 HA ALA 23 2.430 -6.771 17.675 188 HB1 ALA 23 HB1 ALA 23 2.163 -5.053 15.970 189 HB2 ALA 23 HB2 ALA 23 3.036 -6.423 15.291 190 HB3 ALA 23 HB3 ALA 23 3.907 -4.954 15.744 191 H ALA 24 H ALA 24 3.480 -8.497 16.498 192 HA ALA 24 HA ALA 24 6.315 -8.849 16.468 193 HB1 ALA 24 HB1 ALA 24 5.996 -9.022 18.913 194 HB2 ALA 24 HB2 ALA 24 6.479 -10.577 18.232 195 HB3 ALA 24 HB3 ALA 24 4.794 -10.294 18.682 196 H VAL 25 H VAL 25 6.625 -10.235 14.817 197 HA VAL 25 HA VAL 25 4.524 -11.825 13.688 198 HB VAL 25 HB VAL 25 7.520 -11.812 13.056 199 HG11 VAL 25 HG11 VAL 25 6.520 -13.929 12.300 200 HG12 VAL 25 HG12 VAL 25 6.928 -12.912 10.918 201 HG13 VAL 25 HG13 VAL 25 5.250 -13.046 11.448 202 HG21 VAL 25 HG21 VAL 25 5.211 -10.411 11.660 203 HG22 VAL 25 HG22 VAL 25 6.888 -10.418 11.110 204 HG23 VAL 25 HG23 VAL 25 6.465 -9.644 12.634 205 H GLU 26 H GLU 26 3.812 -13.487 14.989 206 HA GLU 26 HA GLU 26 5.433 -15.257 16.516 207 HB2 GLU 26 HB2 GLU 26 2.659 -15.783 15.343 208 HB3 GLU 26 HB3 GLU 26 3.444 -16.736 16.602 209 HG2 GLU 26 HG2 GLU 26 3.450 -14.642 18.029 210 HG3 GLU 26 HG3 GLU 26 2.439 -13.881 16.803 211 H LYS 27 H LYS 27 3.660 -15.885 13.478 212 HA LYS 27 HA LYS 27 5.471 -18.133 12.843 213 HB2 LYS 27 HB2 LYS 27 3.039 -18.633 13.016 214 HB3 LYS 27 HB3 LYS 27 2.708 -17.452 11.753 215 HG2 LYS 27 HG2 LYS 27 3.935 -18.808 10.123 216 HG3 LYS 27 HG3 LYS 27 4.363 -19.958 11.390 217 HD2 LYS 27 HD2 LYS 27 1.941 -20.460 11.704 218 HD3 LYS 27 HD3 LYS 27 1.560 -19.380 10.359 219 HE2 LYS 27 HE2 LYS 27 1.584 -21.764 9.671 220 HE3 LYS 27 HE3 LYS 27 2.825 -20.832 8.827 221 HZ1 LYS 27 HZ1 LYS 27 4.468 -21.673 10.395 222 HZ2 LYS 27 HZ2 LYS 27 3.679 -22.949 9.624 223 HZ3 LYS 27 HZ3 LYS 27 3.276 -22.547 11.212 224 H LYS 28 H LYS 28 6.468 -18.268 10.871 225 HA LYS 28 HA LYS 28 6.337 -15.945 9.039 226 HB2 LYS 28 HB2 LYS 28 8.415 -15.694 10.246 227 HB3 LYS 28 HB3 LYS 28 8.814 -17.400 10.077 228 HG2 LYS 28 HG2 LYS 28 9.316 -17.161 7.755 229 HG3 LYS 28 HG3 LYS 28 8.565 -15.569 7.676 230 HD2 LYS 28 HD2 LYS 28 10.381 -14.664 9.121 231 HD3 LYS 28 HD3 LYS 28 11.150 -16.257 9.138 232 HE2 LYS 28 HE2 LYS 28 11.597 -16.145 6.767 233 HE3 LYS 28 HE3 LYS 28 10.580 -14.716 6.578 234 HZ1 LYS 28 HZ1 LYS 28 13.140 -14.853 8.058 235 HZ2 LYS 28 HZ2 LYS 28 12.148 -13.490 7.949 236 HZ3 LYS 28 HZ3 LYS 28 12.880 -14.111 6.559 237 H GLY 29 H GLY 29 6.171 -16.447 6.918 238 HA2 GLY 29 HA2 GLY 29 6.707 -19.221 5.992 239 HA3 GLY 29 HA3 GLY 29 5.262 -18.344 5.510 240 H ALA 30 H ALA 30 5.498 -17.839 3.400 241 HA ALA 30 HA ALA 30 8.052 -17.605 2.118 242 HB1 ALA 30 HB1 ALA 30 6.736 -17.299 0.056 243 HB2 ALA 30 HB2 ALA 30 5.260 -17.122 1.008 244 HB3 ALA 30 HB3 ALA 30 6.131 -18.655 1.003 245 H GLU 31 H GLU 31 9.189 -15.813 1.641 246 HA GLU 31 HA GLU 31 8.700 -13.391 3.001 247 HB2 GLU 31 HB2 GLU 31 10.705 -14.053 0.810 248 HB3 GLU 31 HB3 GLU 31 10.743 -12.580 1.781 249 HG2 GLU 31 HG2 GLU 31 11.109 -13.888 3.812 250 HG3 GLU 31 HG3 GLU 31 10.961 -15.387 2.895 251 H ALA 32 H ALA 32 8.308 -14.266 -0.405 252 HA ALA 32 HA ALA 32 7.521 -11.537 -1.162 253 HB1 ALA 32 HB1 ALA 32 7.684 -12.334 -3.479 254 HB2 ALA 32 HB2 ALA 32 7.979 -13.979 -2.910 255 HB3 ALA 32 HB3 ALA 32 9.160 -12.709 -2.585 256 H ALA 33 H ALA 33 6.190 -14.868 -1.266 257 HA ALA 33 HA ALA 33 3.544 -13.779 -2.093 258 HB1 ALA 33 HB1 ALA 33 3.217 -15.842 -3.394 259 HB2 ALA 33 HB2 ALA 33 4.801 -16.432 -2.882 260 HB3 ALA 33 HB3 ALA 33 4.681 -15.002 -3.906 261 H GLY 34 H GLY 34 4.549 -14.353 0.665 262 HA2 GLY 34 HA2 GLY 34 2.980 -16.619 1.613 263 HA3 GLY 34 HA3 GLY 34 3.892 -15.476 2.591 264 H ALA 35 H ALA 35 0.951 -16.549 2.514 265 HA ALA 35 HA ALA 35 -0.710 -14.230 2.438 266 HB1 ALA 35 HB1 ALA 35 -1.633 -16.523 2.321 267 HB2 ALA 35 HB2 ALA 35 -2.344 -15.629 3.665 268 HB3 ALA 35 HB3 ALA 35 -1.093 -16.835 3.974 269 H ILE 36 H ILE 36 -1.541 -13.038 4.328 270 HA ILE 36 HA ILE 36 0.252 -13.053 6.694 271 HB ILE 36 HB ILE 36 -1.001 -10.541 5.521 272 HG12 ILE 36 HG12 ILE 36 0.662 -11.301 3.885 273 HG13 ILE 36 HG13 ILE 36 1.254 -9.862 4.704 274 HG21 ILE 36 HG21 ILE 36 -0.567 -10.416 7.922 275 HG22 ILE 36 HG22 ILE 36 0.519 -9.331 7.052 276 HG23 ILE 36 HG23 ILE 36 1.120 -10.874 7.668 277 HD11 ILE 36 HD11 ILE 36 2.632 -11.371 6.146 278 HD12 ILE 36 HD12 ILE 36 3.051 -11.362 4.443 279 HD13 ILE 36 HD13 ILE 36 2.136 -12.708 5.111 280 H PHE 37 H PHE 37 -0.958 -13.756 8.334 281 HA PHE 37 HA PHE 37 -3.727 -12.805 8.675 282 HB2 PHE 37 HB2 PHE 37 -2.422 -15.433 9.503 283 HB3 PHE 37 HB3 PHE 37 -3.957 -14.888 10.183 284 HD1 PHE 37 HD1 PHE 37 -2.268 -15.941 7.055 285 HD2 PHE 37 HD2 PHE 37 -5.991 -14.919 8.897 286 HE1 PHE 37 HE1 PHE 37 -3.471 -16.678 5.045 287 HE2 PHE 37 HE2 PHE 37 -7.175 -15.662 6.882 288 HZ PHE 37 HZ PHE 37 -5.923 -16.533 4.957 289 H VAL 38 H VAL 38 -3.867 -11.266 10.066 290 HA VAL 38 HA VAL 38 -1.946 -11.000 12.296 291 HB VAL 38 HB VAL 38 -3.602 -8.842 10.893 292 HG11 VAL 38 HG11 VAL 38 -3.276 -8.281 13.280 293 HG12 VAL 38 HG12 VAL 38 -2.322 -7.209 12.251 294 HG13 VAL 38 HG13 VAL 38 -1.537 -8.537 13.111 295 HG21 VAL 38 HG21 VAL 38 -1.714 -9.705 9.525 296 HG22 VAL 38 HG22 VAL 38 -0.601 -9.319 10.843 297 HG23 VAL 38 HG23 VAL 38 -1.470 -8.029 10.017 298 H ARG 39 H ARG 39 -2.709 -11.066 14.282 299 HA ARG 39 HA ARG 39 -5.622 -11.273 14.754 300 HB2 ARG 39 HB2 ARG 39 -4.907 -12.595 16.810 301 HB3 ARG 39 HB3 ARG 39 -4.567 -13.357 15.260 302 HG2 ARG 39 HG2 ARG 39 -2.193 -12.531 15.456 303 HG3 ARG 39 HG3 ARG 39 -2.581 -11.970 17.084 304 HD2 ARG 39 HD2 ARG 39 -2.654 -14.835 16.087 305 HD3 ARG 39 HD3 ARG 39 -1.469 -14.121 17.190 306 HE ARG 39 HE ARG 39 -4.143 -13.886 18.169 307 HH11 ARG 39 HH11 ARG 39 -1.439 -16.115 17.971 308 HH12 ARG 39 HH12 ARG 39 -1.983 -17.051 19.328 309 HH21 ARG 39 HH21 ARG 39 -4.801 -15.066 19.951 310 HH22 ARG 39 HH22 ARG 39 -3.881 -16.450 20.457 311 H GLN 40 H GLN 40 -6.489 -9.680 15.825 312 HA GLN 40 HA GLN 40 -4.896 -7.537 17.023 313 HB2 GLN 40 HB2 GLN 40 -6.457 -6.717 15.462 314 HB3 GLN 40 HB3 GLN 40 -7.710 -7.827 15.973 315 HG2 GLN 40 HG2 GLN 40 -8.358 -5.606 16.561 316 HG3 GLN 40 HG3 GLN 40 -8.026 -6.494 18.039 317 HE21 GLN 40 HE21 GLN 40 -8.129 -3.618 17.555 318 HE22 GLN 40 HE22 GLN 40 -6.604 -2.997 18.062 319 H ARG 41 H ARG 41 -4.521 -7.654 19.165 320 HA ARG 41 HA ARG 41 -6.344 -9.075 20.956 321 HB2 ARG 41 HB2 ARG 41 -3.842 -9.373 21.218 322 HB3 ARG 41 HB3 ARG 41 -3.732 -7.668 21.655 323 HG2 ARG 41 HG2 ARG 41 -5.416 -8.225 23.546 324 HG3 ARG 41 HG3 ARG 41 -5.065 -9.917 23.197 325 HD2 ARG 41 HD2 ARG 41 -3.013 -7.833 24.019 326 HD3 ARG 41 HD3 ARG 41 -3.754 -9.002 25.109 327 HE ARG 41 HE ARG 41 -2.529 -10.365 22.958 328 HH11 ARG 41 HH11 ARG 41 -1.599 -8.498 25.795 329 HH12 ARG 41 HH12 ARG 41 -0.110 -9.356 26.020 330 HH21 ARG 41 HH21 ARG 41 -0.564 -11.479 23.276 331 HH22 ARG 41 HH22 ARG 41 0.469 -11.055 24.605 332 H LEU 42 H LEU 42 -8.137 -7.800 21.179 333 HA LEU 42 HA LEU 42 -8.134 -4.983 21.716 334 HB2 LEU 42 HB2 LEU 42 -10.266 -7.101 22.276 335 HB3 LEU 42 HB3 LEU 42 -10.514 -5.384 22.517 336 HG LEU 42 HG LEU 42 -11.601 -5.918 20.486 337 HD11 LEU 42 HD11 LEU 42 -10.343 -3.841 20.390 338 HD12 LEU 42 HD12 LEU 42 -10.467 -4.593 18.803 339 HD13 LEU 42 HD13 LEU 42 -8.953 -4.690 19.706 340 HD21 LEU 42 HD21 LEU 42 -9.108 -7.346 19.523 341 HD22 LEU 42 HD22 LEU 42 -10.598 -7.111 18.603 342 HD23 LEU 42 HD23 LEU 42 -10.611 -8.104 20.057 343 H ARG 43 H ARG 43 -8.275 -3.925 23.701 344 HA ARG 43 HA ARG 43 -7.058 -5.065 25.974 345 HB2 ARG 43 HB2 ARG 43 -7.941 -2.908 27.151 346 HB3 ARG 43 HB3 ARG 43 -6.769 -2.768 25.860 347 HG2 ARG 43 HG2 ARG 43 -8.366 -1.006 25.615 348 HG3 ARG 43 HG3 ARG 43 -8.592 -2.136 24.289 349 HD2 ARG 43 HD2 ARG 43 -10.636 -2.963 25.241 350 HD3 ARG 43 HD3 ARG 43 -10.335 -2.119 26.767 351 HE ARG 43 HE ARG 43 -10.382 -0.081 25.000 352 HH11 ARG 43 HH11 ARG 43 -12.692 -2.710 25.376 353 HH12 ARG 43 HH12 ARG 43 -14.051 -1.699 25.027 354 HH21 ARG 43 HH21 ARG 43 -12.169 1.208 24.601 355 HH22 ARG 43 HH22 ARG 43 -13.759 0.515 24.585 356 H ASP 44 H ASP 44 -10.280 -5.264 24.924 357 HA ASP 44 HA ASP 44 -11.701 -5.740 27.301 358 HB2 ASP 44 HB2 ASP 44 -12.141 -6.964 24.530 359 HB3 ASP 44 HB3 ASP 44 -13.320 -6.966 25.841 360 H GLY 45 H GLY 45 -9.332 -7.645 25.673 361 HA2 GLY 45 HA2 GLY 45 -8.396 -9.682 26.398 362 HA3 GLY 45 HA3 GLY 45 -9.871 -10.065 27.276 363 H ARG 46 H ARG 46 -10.757 -8.820 24.343 364 HA ARG 46 HA ARG 46 -11.312 -11.443 23.152 365 HB2 ARG 46 HB2 ARG 46 -12.215 -8.713 22.125 366 HB3 ARG 46 HB3 ARG 46 -12.875 -10.291 21.707 367 HG2 ARG 46 HG2 ARG 46 -13.111 -8.904 24.402 368 HG3 ARG 46 HG3 ARG 46 -14.391 -9.072 23.196 369 HD2 ARG 46 HD2 ARG 46 -13.021 -11.384 24.612 370 HD3 ARG 46 HD3 ARG 46 -14.576 -10.696 25.084 371 HE ARG 46 HE ARG 46 -15.000 -11.352 22.499 372 HH11 ARG 46 HH11 ARG 46 -13.643 -13.256 25.132 373 HH12 ARG 46 HH12 ARG 46 -14.317 -14.741 24.551 374 HH21 ARG 46 HH21 ARG 46 -15.842 -13.324 21.749 375 HH22 ARG 46 HH22 ARG 46 -15.546 -14.781 22.641 376 H GLU 47 H GLU 47 -11.099 -11.444 20.671 377 HA GLU 47 HA GLU 47 -8.825 -9.962 19.654 378 HB2 GLU 47 HB2 GLU 47 -8.839 -12.993 19.850 379 HB3 GLU 47 HB3 GLU 47 -7.865 -12.149 18.651 380 HG2 GLU 47 HG2 GLU 47 -6.768 -10.902 20.566 381 HG3 GLU 47 HG3 GLU 47 -7.601 -12.002 21.668 382 H ASN 48 H ASN 48 -8.844 -9.625 17.513 383 HA ASN 48 HA ASN 48 -10.937 -10.868 15.825 384 HB2 ASN 48 HB2 ASN 48 -9.353 -8.284 15.494 385 HB3 ASN 48 HB3 ASN 48 -10.302 -8.975 14.195 386 HD21 ASN 48 HD21 ASN 48 -11.323 -8.840 17.605 387 HD22 ASN 48 HD22 ASN 48 -12.601 -7.713 17.338 388 H LEU 49 H LEU 49 -10.124 -11.175 13.507 389 HA LEU 49 HA LEU 49 -7.281 -11.808 13.243 390 HB2 LEU 49 HB2 LEU 49 -9.066 -13.859 13.762 391 HB3 LEU 49 HB3 LEU 49 -9.096 -13.847 12.019 392 HG LEU 49 HG LEU 49 -6.587 -14.141 13.697 393 HD11 LEU 49 HD11 LEU 49 -7.962 -16.070 14.025 394 HD12 LEU 49 HD12 LEU 49 -6.600 -16.514 13.002 395 HD13 LEU 49 HD13 LEU 49 -8.198 -16.265 12.292 396 HD21 LEU 49 HD21 LEU 49 -6.961 -14.445 10.701 397 HD22 LEU 49 HD22 LEU 49 -5.485 -14.838 11.589 398 HD23 LEU 49 HD23 LEU 49 -6.058 -13.175 11.529 399 H TYR 50 H TYR 50 -6.573 -11.482 11.185 400 HA TYR 50 HA TYR 50 -8.469 -10.475 9.167 401 HB2 TYR 50 HB2 TYR 50 -5.749 -9.219 9.798 402 HB3 TYR 50 HB3 TYR 50 -6.968 -8.610 8.675 403 HD1 TYR 50 HD1 TYR 50 -9.359 -8.176 9.771 404 HD2 TYR 50 HD2 TYR 50 -5.693 -8.252 11.946 405 HE1 TYR 50 HE1 TYR 50 -10.420 -6.931 11.593 406 HE2 TYR 50 HE2 TYR 50 -6.753 -6.993 13.754 407 HH TYR 50 HH TYR 50 -10.152 -6.483 13.925 408 H GLY 51 H GLY 51 -7.844 -10.846 7.043 409 HA2 GLY 51 HA2 GLY 51 -5.408 -12.427 6.503 410 HA3 GLY 51 HA3 GLY 51 -6.982 -13.066 6.027 411 HA PRO 52 HA PRO 52 -5.337 -10.007 2.745 412 HB2 PRO 52 HB2 PRO 52 -4.614 -12.337 1.057 413 HB3 PRO 52 HB3 PRO 52 -3.632 -10.939 1.502 414 HG2 PRO 52 HG2 PRO 52 -3.125 -13.407 2.497 415 HG3 PRO 52 HG3 PRO 52 -2.846 -11.932 3.448 416 HD2 PRO 52 HD2 PRO 52 -5.191 -13.837 3.564 417 HD3 PRO 52 HD3 PRO 52 -4.256 -13.114 4.898 418 H ALA 53 H ALA 53 -7.207 -9.299 1.852 419 HA ALA 53 HA ALA 53 -9.394 -10.971 1.095 420 HB1 ALA 53 HB1 ALA 53 -10.422 -8.896 0.226 421 HB2 ALA 53 HB2 ALA 53 -8.887 -8.042 0.420 422 HB3 ALA 53 HB3 ALA 53 -9.748 -8.648 1.837 423 HA PRO 54 HA PRO 54 -7.920 -12.208 -2.943 424 HB2 PRO 54 HB2 PRO 54 -10.271 -12.840 -4.212 425 HB3 PRO 54 HB3 PRO 54 -9.578 -13.835 -2.927 426 HG2 PRO 54 HG2 PRO 54 -11.777 -11.782 -2.756 427 HG3 PRO 54 HG3 PRO 54 -11.701 -13.399 -2.025 428 HD2 PRO 54 HD2 PRO 54 -11.150 -11.133 -0.614 429 HD3 PRO 54 HD3 PRO 54 -10.348 -12.678 -0.265 430 H GLN 55 H GLN 55 -7.005 -10.375 -3.751 431 HA GLN 55 HA GLN 55 -8.351 -8.016 -4.504 432 HB2 GLN 55 HB2 GLN 55 -6.215 -7.212 -5.269 433 HB3 GLN 55 HB3 GLN 55 -5.915 -8.192 -3.837 434 HG2 GLN 55 HG2 GLN 55 -5.297 -10.091 -5.388 435 HG3 GLN 55 HG3 GLN 55 -5.399 -8.952 -6.729 436 HE21 GLN 55 HE21 GLN 55 -3.967 -7.075 -6.641 437 HE22 GLN 55 HE22 GLN 55 -2.419 -7.229 -5.892 438 H SER 56 H SER 56 -8.633 -7.096 -6.620 439 HA SER 56 HA SER 56 -9.526 -8.944 -8.641 440 HB2 SER 56 HB2 SER 56 -9.215 -5.912 -8.731 441 HB3 SER 56 HB3 SER 56 -10.094 -6.891 -9.909 442 HG SER 56 HG SER 56 -10.802 -7.151 -7.211 443 H PHE 57 H PHE 57 -7.660 -10.130 -9.219 444 HA PHE 57 HA PHE 57 -5.494 -8.649 -10.573 445 HB2 PHE 57 HB2 PHE 57 -4.117 -10.702 -10.321 446 HB3 PHE 57 HB3 PHE 57 -4.643 -10.047 -8.781 447 HD1 PHE 57 HD1 PHE 57 -4.980 -12.891 -11.133 448 HD2 PHE 57 HD2 PHE 57 -6.136 -11.315 -7.328 449 HE1 PHE 57 HE1 PHE 57 -5.771 -15.118 -10.441 450 HE2 PHE 57 HE2 PHE 57 -6.920 -13.543 -6.647 451 HZ PHE 57 HZ PHE 57 -6.744 -15.445 -8.204 452 H ALA 58 H ALA 58 -5.206 -8.794 -12.674 453 HA ALA 58 HA ALA 58 -6.664 -10.812 -14.281 454 HB1 ALA 58 HB1 ALA 58 -6.455 -9.209 -16.159 455 HB2 ALA 58 HB2 ALA 58 -5.601 -8.077 -15.103 456 HB3 ALA 58 HB3 ALA 58 -7.288 -8.480 -14.786 457 H ASP 59 H ASP 59 -5.462 -12.334 -15.202 458 HA ASP 59 HA ASP 59 -3.785 -13.592 -16.015 459 HB2 ASP 59 HB2 ASP 59 -3.498 -11.612 -17.558 460 HB3 ASP 59 HB3 ASP 59 -2.280 -10.977 -16.461 461 H ASP 60 H ASP 60 -3.848 -12.649 -13.119 462 HA ASP 60 HA ASP 60 -2.721 -12.837 -11.157 463 HB2 ASP 60 HB2 ASP 60 -1.025 -14.768 -12.790 464 HB3 ASP 60 HB3 ASP 60 -0.831 -14.560 -11.056 465 H GLU 61 H GLU 61 -1.806 -10.781 -13.199 466 HA GLU 61 HA GLU 61 0.991 -10.318 -12.644 467 HB2 GLU 61 HB2 GLU 61 -1.153 -8.581 -13.919 468 HB3 GLU 61 HB3 GLU 61 0.537 -8.099 -13.768 469 HG2 GLU 61 HG2 GLU 61 1.191 -10.066 -15.154 470 HG3 GLU 61 HG3 GLU 61 -0.518 -10.468 -15.348 471 H ASP 62 H ASP 62 -2.103 -8.860 -11.630 472 HA ASP 62 HA ASP 62 -1.085 -6.716 -10.140 473 HB2 ASP 62 HB2 ASP 62 -3.760 -8.120 -9.777 474 HB3 ASP 62 HB3 ASP 62 -3.343 -6.535 -9.124 475 H ILE 63 H ILE 63 -1.083 -10.020 -9.288 476 HA ILE 63 HA ILE 63 -1.394 -10.202 -6.557 477 HB ILE 63 HB ILE 63 0.713 -11.619 -8.264 478 HG12 ILE 63 HG12 ILE 63 -1.578 -11.928 -9.145 479 HG13 ILE 63 HG13 ILE 63 -0.952 -13.443 -8.508 480 HG21 ILE 63 HG21 ILE 63 0.688 -13.439 -6.582 481 HG22 ILE 63 HG22 ILE 63 -0.389 -12.480 -5.562 482 HG23 ILE 63 HG23 ILE 63 1.250 -11.914 -5.888 483 HD11 ILE 63 HD11 ILE 63 -3.270 -13.140 -7.945 484 HD12 ILE 63 HD12 ILE 63 -2.911 -11.612 -7.146 485 HD13 ILE 63 HD13 ILE 63 -2.283 -13.126 -6.486 486 H MET 64 H MET 64 1.524 -9.162 -8.305 487 HA MET 64 HA MET 64 2.647 -8.005 -5.816 488 HB2 MET 64 HB2 MET 64 4.927 -8.360 -7.213 489 HB3 MET 64 HB3 MET 64 4.266 -9.617 -6.183 490 HG2 MET 64 HG2 MET 64 5.043 -10.485 -8.347 491 HG3 MET 64 HG3 MET 64 3.318 -10.760 -8.098 492 HE1 MET 64 HE1 MET 64 3.243 -10.289 -11.914 493 HE2 MET 64 HE2 MET 64 2.660 -11.223 -10.534 494 HE3 MET 64 HE3 MET 64 4.381 -11.220 -10.941 495 H ARG 65 H ARG 65 1.446 -7.348 -8.916 496 HA ARG 65 HA ARG 65 2.879 -4.835 -9.331 497 HB2 ARG 65 HB2 ARG 65 0.602 -6.161 -10.862 498 HB3 ARG 65 HB3 ARG 65 1.316 -4.616 -11.317 499 HG2 ARG 65 HG2 ARG 65 2.822 -7.247 -11.179 500 HG3 ARG 65 HG3 ARG 65 2.159 -6.530 -12.652 501 HD2 ARG 65 HD2 ARG 65 4.332 -5.353 -10.882 502 HD3 ARG 65 HD3 ARG 65 4.546 -6.048 -12.492 503 HE ARG 65 HE ARG 65 3.039 -3.561 -11.909 504 HH11 ARG 65 HH11 ARG 65 5.064 -5.418 -14.095 505 HH12 ARG 65 HH12 ARG 65 5.113 -4.167 -15.293 506 HH21 ARG 65 HH21 ARG 65 3.074 -1.957 -13.497 507 HH22 ARG 65 HH22 ARG 65 3.984 -2.206 -14.954 508 H ALA 66 H ALA 66 0.316 -5.831 -7.425 509 HA ALA 66 HA ALA 66 -0.540 -3.085 -6.901 510 HB1 ALA 66 HB1 ALA 66 -2.563 -5.271 -7.559 511 HB2 ALA 66 HB2 ALA 66 -2.181 -3.881 -8.575 512 HB3 ALA 66 HB3 ALA 66 -2.945 -3.636 -7.005 513 H GLU 67 H GLU 67 -1.004 -2.760 -4.766 514 HA GLU 67 HA GLU 67 -0.398 -4.854 -2.866 515 HB2 GLU 67 HB2 GLU 67 0.448 -2.602 -2.441 516 HB3 GLU 67 HB3 GLU 67 -1.175 -1.932 -2.485 517 HG2 GLU 67 HG2 GLU 67 -1.758 -2.864 -0.392 518 HG3 GLU 67 HG3 GLU 67 -0.430 -4.020 -0.435 519 H ARG 68 H ARG 68 -1.863 -6.194 -2.134 520 HA ARG 68 HA ARG 68 -4.692 -5.901 -2.556 521 HB2 ARG 68 HB2 ARG 68 -4.855 -8.110 -1.486 522 HB3 ARG 68 HB3 ARG 68 -3.546 -8.107 -2.661 523 HG2 ARG 68 HG2 ARG 68 -1.970 -7.683 -0.663 524 HG3 ARG 68 HG3 ARG 68 -3.346 -8.097 0.364 525 HD2 ARG 68 HD2 ARG 68 -1.948 -10.055 0.050 526 HD3 ARG 68 HD3 ARG 68 -3.481 -10.311 -0.792 527 HE ARG 68 HE ARG 68 -2.001 -9.341 -2.779 528 HH11 ARG 68 HH11 ARG 68 -1.168 -11.799 -0.428 529 HH12 ARG 68 HH12 ARG 68 -0.105 -12.636 -1.505 530 HH21 ARG 68 HH21 ARG 68 -0.577 -10.411 -4.161 531 HH22 ARG 68 HH22 ARG 68 0.248 -11.835 -3.621 532 H ARG 69 H ARG 69 -6.235 -5.393 -1.083 533 HA ARG 69 HA ARG 69 -5.522 -4.329 1.529 534 HB2 ARG 69 HB2 ARG 69 -7.200 -3.263 -0.062 535 HB3 ARG 69 HB3 ARG 69 -8.267 -4.629 0.238 536 HG2 ARG 69 HG2 ARG 69 -8.664 -3.979 2.482 537 HG3 ARG 69 HG3 ARG 69 -7.267 -2.898 2.511 538 HD2 ARG 69 HD2 ARG 69 -9.804 -2.458 0.884 539 HD3 ARG 69 HD3 ARG 69 -9.383 -1.636 2.396 540 HE ARG 69 HE ARG 69 -7.349 -1.367 0.390 541 HH11 ARG 69 HH11 ARG 69 -10.386 0.009 1.457 542 HH12 ARG 69 HH12 ARG 69 -10.069 1.554 0.745 543 HH21 ARG 69 HH21 ARG 69 -6.935 0.640 -0.527 544 HH22 ARG 69 HH22 ARG 69 -8.104 1.912 -0.391 545 H PHE 70 H PHE 70 -6.748 -5.117 3.444 546 HA PHE 70 HA PHE 70 -6.863 -8.056 3.459 547 HB2 PHE 70 HB2 PHE 70 -6.193 -5.962 5.549 548 HB3 PHE 70 HB3 PHE 70 -6.749 -7.554 6.063 549 HD1 PHE 70 HD1 PHE 70 -4.473 -6.499 3.265 550 HD2 PHE 70 HD2 PHE 70 -4.904 -8.720 6.891 551 HE1 PHE 70 HE1 PHE 70 -2.231 -7.438 2.955 552 HE2 PHE 70 HE2 PHE 70 -2.657 -9.650 6.571 553 HZ PHE 70 HZ PHE 70 -1.326 -9.013 4.601 554 H GLU 71 H GLU 71 -8.318 -8.856 5.260 555 HA GLU 71 HA GLU 71 -10.958 -7.573 5.342 556 HB2 GLU 71 HB2 GLU 71 -12.031 -9.751 4.824 557 HB3 GLU 71 HB3 GLU 71 -11.049 -9.191 3.475 558 HG2 GLU 71 HG2 GLU 71 -9.297 -10.778 3.983 559 HG3 GLU 71 HG3 GLU 71 -10.072 -11.234 5.499 560 H THR 72 H THR 72 -12.322 -8.779 6.990 561 HA THR 72 HA THR 72 -10.675 -9.402 9.347 562 HB THR 72 HB THR 72 -13.604 -8.539 9.223 563 HG1 THR 72 HG1 THR 72 -11.967 -6.694 10.287 564 HG21 THR 72 HG21 THR 72 -13.020 -9.764 11.312 565 HG22 THR 72 HG22 THR 72 -13.347 -8.059 11.626 566 HG23 THR 72 HG23 THR 72 -11.682 -8.642 11.582 567 H ARG 73 H ARG 73 -10.354 -11.602 9.299 568 HA ARG 73 HA ARG 73 -12.156 -13.588 8.364 569 HB2 ARG 73 HB2 ARG 73 -9.711 -13.718 10.178 570 HB3 ARG 73 HB3 ARG 73 -10.635 -15.159 9.777 571 HG2 ARG 73 HG2 ARG 73 -9.219 -13.381 7.757 572 HG3 ARG 73 HG3 ARG 73 -8.587 -14.894 8.408 573 HD2 ARG 73 HD2 ARG 73 -10.944 -15.824 7.480 574 HD3 ARG 73 HD3 ARG 73 -10.772 -14.443 6.392 575 HE ARG 73 HE ARG 73 -8.775 -16.631 6.666 576 HH11 ARG 73 HH11 ARG 73 -10.491 -14.366 4.590 577 HH12 ARG 73 HH12 ARG 73 -9.706 -14.941 3.156 578 HH21 ARG 73 HH21 ARG 73 -7.786 -17.356 4.772 579 HH22 ARG 73 HH22 ARG 73 -8.188 -16.613 3.259 580 H LEU 74 H LEU 74 -11.165 -12.783 11.714 581 HA LEU 74 HA LEU 74 -13.831 -13.640 12.731 582 HB2 LEU 74 HB2 LEU 74 -11.116 -13.853 14.098 583 HB3 LEU 74 HB3 LEU 74 -12.652 -14.337 14.810 584 HG LEU 74 HG LEU 74 -11.430 -15.631 12.331 585 HD11 LEU 74 HD11 LEU 74 -10.007 -16.045 14.268 586 HD12 LEU 74 HD12 LEU 74 -10.816 -17.518 13.747 587 HD13 LEU 74 HD13 LEU 74 -11.389 -16.659 15.182 588 HD21 LEU 74 HD21 LEU 74 -13.777 -16.515 14.048 589 HD22 LEU 74 HD22 LEU 74 -13.096 -17.405 12.681 590 HD23 LEU 74 HD23 LEU 74 -13.870 -15.845 12.416 591 H ALA 75 H ALA 75 -14.612 -12.402 14.599 592 HA ALA 75 HA ALA 75 -13.195 -9.932 15.288 593 HB1 ALA 75 HB1 ALA 75 -14.580 -9.300 13.342 594 HB2 ALA 75 HB2 ALA 75 -15.123 -8.489 14.811 595 HB3 ALA 75 HB3 ALA 75 -16.027 -9.869 14.180 596 H GLY 76 H GLY 76 -13.177 -9.813 17.419 597 HA2 GLY 76 HA2 GLY 76 -13.883 -9.591 19.590 598 HA3 GLY 76 HA3 GLY 76 -15.539 -9.672 19.013 599 H VAL 77 H VAL 77 -13.121 -12.151 18.514 600 HA VAL 77 HA VAL 77 -14.731 -14.129 19.995 601 HB VAL 77 HB VAL 77 -13.562 -15.841 18.647 602 HG11 VAL 77 HG11 VAL 77 -15.631 -14.895 17.710 603 HG12 VAL 77 HG12 VAL 77 -14.503 -15.301 16.414 604 HG13 VAL 77 HG13 VAL 77 -14.708 -13.618 16.910 605 HG21 VAL 77 HG21 VAL 77 -11.372 -14.754 18.362 606 HG22 VAL 77 HG22 VAL 77 -12.091 -13.529 17.316 607 HG23 VAL 77 HG23 VAL 77 -12.028 -15.212 16.788 608 H GLU 78 H GLU 78 -13.041 -16.052 20.737 609 HA GLU 78 HA GLU 78 -11.111 -14.775 22.555 610 HB2 GLU 78 HB2 GLU 78 -11.055 -16.933 23.738 611 HB3 GLU 78 HB3 GLU 78 -12.722 -16.400 23.525 612 HG2 GLU 78 HG2 GLU 78 -12.855 -17.931 21.518 613 HG3 GLU 78 HG3 GLU 78 -11.267 -18.557 21.968 614 H GLY 79 H GLY 79 -9.008 -15.992 22.885 615 HA2 GLY 79 HA2 GLY 79 -7.417 -15.918 20.565 616 HA3 GLY 79 HA3 GLY 79 -6.925 -16.544 22.131 617 H GLU 80 H GLU 80 -9.126 -18.589 22.024 618 HA GLU 80 HA GLU 80 -7.679 -20.709 20.776 619 HB2 GLU 80 HB2 GLU 80 -9.110 -21.086 22.767 620 HB3 GLU 80 HB3 GLU 80 -10.547 -20.692 21.824 621 HG2 GLU 80 HG2 GLU 80 -10.077 -22.648 20.349 622 HG3 GLU 80 HG3 GLU 80 -8.689 -23.050 21.354 623 H GLU 81 H GLU 81 -10.630 -18.884 19.908 624 HA GLU 81 HA GLU 81 -11.331 -20.281 17.551 625 HB2 GLU 81 HB2 GLU 81 -11.777 -17.336 18.202 626 HB3 GLU 81 HB3 GLU 81 -12.609 -18.237 16.935 627 HG2 GLU 81 HG2 GLU 81 -12.805 -18.793 19.912 628 HG3 GLU 81 HG3 GLU 81 -13.984 -17.889 18.967 629 H ILE 82 H ILE 82 -9.144 -17.608 18.184 630 HA ILE 82 HA ILE 82 -8.426 -16.880 15.574 631 HB ILE 82 HB ILE 82 -6.739 -16.756 18.116 632 HG12 ILE 82 HG12 ILE 82 -8.860 -15.514 18.361 633 HG13 ILE 82 HG13 ILE 82 -7.504 -14.395 18.288 634 HG21 ILE 82 HG21 ILE 82 -5.309 -16.533 16.145 635 HG22 ILE 82 HG22 ILE 82 -5.432 -14.986 16.980 636 HG23 ILE 82 HG23 ILE 82 -6.350 -15.262 15.498 637 HD11 ILE 82 HD11 ILE 82 -9.437 -15.019 16.060 638 HD12 ILE 82 HD12 ILE 82 -8.050 -13.932 15.932 639 HD13 ILE 82 HD13 ILE 82 -9.372 -13.551 17.034 640 H ALA 83 H ALA 83 -6.742 -19.032 17.869 641 HA ALA 83 HA ALA 83 -4.698 -19.916 16.115 642 HB1 ALA 83 HB1 ALA 83 -4.216 -21.591 17.849 643 HB2 ALA 83 HB2 ALA 83 -5.767 -21.246 18.624 644 HB3 ALA 83 HB3 ALA 83 -4.513 -20.008 18.570 645 H ALA 84 H ALA 84 -7.961 -20.993 16.666 646 HA ALA 84 HA ALA 84 -7.803 -23.582 15.480 647 HB1 ALA 84 HB1 ALA 84 -10.258 -23.527 15.502 648 HB2 ALA 84 HB2 ALA 84 -10.227 -21.802 15.888 649 HB3 ALA 84 HB3 ALA 84 -9.597 -22.975 17.044 650 H LEU 85 H LEU 85 -8.500 -20.327 14.189 651 HA LEU 85 HA LEU 85 -9.025 -21.321 11.516 652 HB2 LEU 85 HB2 LEU 85 -10.069 -19.216 12.263 653 HB3 LEU 85 HB3 LEU 85 -8.490 -18.470 12.408 654 HG LEU 85 HG LEU 85 -8.871 -19.615 9.716 655 HD11 LEU 85 HD11 LEU 85 -11.185 -19.212 10.075 656 HD12 LEU 85 HD12 LEU 85 -10.541 -18.108 8.863 657 HD13 LEU 85 HD13 LEU 85 -10.876 -17.524 10.499 658 HD21 LEU 85 HD21 LEU 85 -8.141 -17.429 8.923 659 HD22 LEU 85 HD22 LEU 85 -7.089 -18.025 10.208 660 HD23 LEU 85 HD23 LEU 85 -8.282 -16.764 10.554 661 H LEU 86 H LEU 86 -6.277 -19.897 13.258 662 HA LEU 86 HA LEU 86 -4.463 -19.646 11.118 663 HB2 LEU 86 HB2 LEU 86 -3.869 -20.258 14.044 664 HB3 LEU 86 HB3 LEU 86 -2.665 -19.752 12.865 665 HG LEU 86 HG LEU 86 -5.016 -18.069 13.837 666 HD11 LEU 86 HD11 LEU 86 -3.318 -18.305 15.559 667 HD12 LEU 86 HD12 LEU 86 -3.346 -16.660 14.932 668 HD13 LEU 86 HD13 LEU 86 -2.063 -17.770 14.437 669 HD21 LEU 86 HD21 LEU 86 -4.514 -17.552 11.501 670 HD22 LEU 86 HD22 LEU 86 -2.810 -17.315 11.892 671 HD23 LEU 86 HD23 LEU 86 -4.029 -16.220 12.548 672 H GLU 87 H GLU 87 -5.561 -22.389 12.940 673 HA GLU 87 HA GLU 87 -3.774 -24.401 12.028 674 HB2 GLU 87 HB2 GLU 87 -4.991 -24.931 13.987 675 HB3 GLU 87 HB3 GLU 87 -6.495 -24.301 13.343 676 HG2 GLU 87 HG2 GLU 87 -6.777 -26.618 13.489 677 HG3 GLU 87 HG3 GLU 87 -6.569 -26.249 11.786 678 H ARG 88 H ARG 88 -6.948 -23.170 10.879 679 HA ARG 88 HA ARG 88 -7.332 -25.100 8.812 680 HB2 ARG 88 HB2 ARG 88 -8.493 -22.315 9.246 681 HB3 ARG 88 HB3 ARG 88 -9.017 -23.379 7.942 682 HG2 ARG 88 HG2 ARG 88 -9.783 -25.041 9.598 683 HG3 ARG 88 HG3 ARG 88 -9.259 -23.976 10.909 684 HD2 ARG 88 HD2 ARG 88 -11.738 -23.883 10.360 685 HD3 ARG 88 HD3 ARG 88 -10.905 -22.322 10.341 686 HE ARG 88 HE ARG 88 -11.319 -23.824 7.834 687 HH11 ARG 88 HH11 ARG 88 -12.047 -20.961 9.733 688 HH12 ARG 88 HH12 ARG 88 -12.594 -20.062 8.357 689 HH21 ARG 88 HH21 ARG 88 -11.980 -22.598 6.040 690 HH22 ARG 88 HH22 ARG 88 -12.554 -20.980 6.282 691 H GLU 89 H GLU 89 -6.047 -21.786 8.800 692 HA GLU 89 HA GLU 89 -5.749 -21.548 5.984 693 HB2 GLU 89 HB2 GLU 89 -4.473 -19.936 8.226 694 HB3 GLU 89 HB3 GLU 89 -4.453 -19.488 6.521 695 HG2 GLU 89 HG2 GLU 89 -6.906 -19.767 8.266 696 HG3 GLU 89 HG3 GLU 89 -6.137 -18.254 7.793 697 H ARG 90 H ARG 90 -3.502 -22.457 8.595 698 HA ARG 90 HA ARG 90 -1.150 -22.518 6.982 699 HB2 ARG 90 HB2 ARG 90 -0.024 -23.647 8.775 700 HB3 ARG 90 HB3 ARG 90 -1.139 -22.497 9.505 701 HG2 ARG 90 HG2 ARG 90 -2.720 -24.327 9.981 702 HG3 ARG 90 HG3 ARG 90 -1.612 -25.483 9.247 703 HD2 ARG 90 HD2 ARG 90 0.062 -24.993 10.971 704 HD3 ARG 90 HD3 ARG 90 -1.013 -23.791 11.695 705 HE ARG 90 HE ARG 90 -2.449 -26.163 11.616 706 HH11 ARG 90 HH11 ARG 90 0.522 -25.086 13.164 707 HH12 ARG 90 HH12 ARG 90 0.360 -26.178 14.499 708 HH21 ARG 90 HH21 ARG 90 -2.644 -27.596 13.361 709 HH22 ARG 90 HH22 ARG 90 -1.440 -27.603 14.611 710 H ARG 91 H ARG 91 -3.734 -24.768 7.458 711 HA ARG 91 HA ARG 91 -2.624 -27.171 6.554 712 HB2 ARG 91 HB2 ARG 91 -4.888 -26.801 7.697 713 HB3 ARG 91 HB3 ARG 91 -5.507 -26.279 6.140 714 HG2 ARG 91 HG2 ARG 91 -6.098 -28.627 6.668 715 HG3 ARG 91 HG3 ARG 91 -5.129 -28.501 5.190 716 HD2 ARG 91 HD2 ARG 91 -3.164 -29.234 6.302 717 HD3 ARG 91 HD3 ARG 91 -3.901 -29.056 7.900 718 HE ARG 91 HE ARG 91 -5.432 -30.932 6.546 719 HH11 ARG 91 HH11 ARG 91 -2.054 -30.710 7.515 720 HH12 ARG 91 HH12 ARG 91 -1.916 -32.403 7.857 721 HH21 ARG 91 HH21 ARG 91 -5.225 -33.143 6.994 722 HH22 ARG 91 HH22 ARG 91 -3.715 -33.784 7.551 723 H PHE 92 H PHE 92 -3.970 -24.442 4.814 724 HA PHE 92 HA PHE 92 -3.669 -25.696 2.195 725 HB2 PHE 92 HB2 PHE 92 -4.745 -22.951 3.016 726 HB3 PHE 92 HB3 PHE 92 -4.791 -23.604 1.394 727 HD1 PHE 92 HD1 PHE 92 -6.205 -25.676 0.936 728 HD2 PHE 92 HD2 PHE 92 -6.463 -23.489 4.592 729 HE1 PHE 92 HE1 PHE 92 -8.394 -26.696 1.397 730 HE2 PHE 92 HE2 PHE 92 -8.657 -24.504 5.041 731 HZ PHE 92 HZ PHE 92 -9.624 -26.115 3.447 732 H ASP 93 H ASP 93 -2.592 -22.819 3.947 733 HA ASP 93 HA ASP 93 -0.228 -22.489 2.206 734 HB2 ASP 93 HB2 ASP 93 -1.804 -20.289 3.619 735 HB3 ASP 93 HB3 ASP 93 -0.346 -20.045 2.664 736 H SER 94 H SER 94 1.074 -23.742 3.626 737 HA SER 94 HA SER 94 1.674 -23.007 6.315 738 HB2 SER 94 HB2 SER 94 2.410 -25.165 5.329 739 HB3 SER 94 HB3 SER 94 3.453 -24.308 4.196 740 HG SER 94 HG SER 94 4.823 -24.788 5.778 741 H ASP 95 H ASP 95 2.196 -21.491 3.311 742 HA ASP 95 HA ASP 95 4.557 -19.956 3.758 743 HB2 ASP 95 HB2 ASP 95 2.221 -19.412 1.871 744 HB3 ASP 95 HB3 ASP 95 3.810 -18.664 1.778 745 H LEU 96 H LEU 96 1.558 -19.687 5.302 746 HA LEU 96 HA LEU 96 1.208 -16.843 5.199 747 HB2 LEU 96 HB2 LEU 96 -0.775 -17.143 6.329 748 HB3 LEU 96 HB3 LEU 96 -0.560 -18.739 5.652 749 HG LEU 96 HG LEU 96 0.568 -19.198 8.075 750 HD11 LEU 96 HD11 LEU 96 0.288 -16.938 8.946 751 HD12 LEU 96 HD12 LEU 96 -0.686 -18.081 9.864 752 HD13 LEU 96 HD13 LEU 96 -1.453 -17.023 8.676 753 HD21 LEU 96 HD21 LEU 96 -2.419 -19.187 7.622 754 HD22 LEU 96 HD22 LEU 96 -1.541 -20.136 8.829 755 HD23 LEU 96 HD23 LEU 96 -1.299 -20.452 7.113 756 H TRP 97 H TRP 97 1.331 -15.381 6.951 757 HA TRP 97 HA TRP 97 3.431 -15.875 8.984 758 HB2 TRP 97 HB2 TRP 97 2.622 -13.281 7.577 759 HB3 TRP 97 HB3 TRP 97 3.811 -13.386 8.869 760 HD1 TRP 97 HD1 TRP 97 3.417 -15.152 5.395 761 HE1 TRP 97 HE1 TRP 97 5.713 -15.090 4.257 762 HE3 TRP 97 HE3 TRP 97 6.028 -12.657 8.980 763 HZ2 TRP 97 HZ2 TRP 97 8.287 -14.105 4.776 764 HZ3 TRP 97 HZ3 TRP 97 8.409 -12.174 8.587 765 HH2 TRP 97 HH2 TRP 97 9.513 -12.883 6.525 766 H VAL 98 H VAL 98 2.628 -15.759 11.066 767 HA VAL 98 HA VAL 98 0.056 -14.378 11.522 768 HB VAL 98 HB VAL 98 1.554 -16.218 13.443 769 HG11 VAL 98 HG11 VAL 98 -0.533 -16.135 14.788 770 HG12 VAL 98 HG12 VAL 98 -1.222 -14.974 13.650 771 HG13 VAL 98 HG13 VAL 98 0.189 -14.534 14.616 772 HG21 VAL 98 HG21 VAL 98 -0.924 -16.795 11.777 773 HG22 VAL 98 HG22 VAL 98 -0.256 -17.857 13.019 774 HG23 VAL 98 HG23 VAL 98 0.672 -17.515 11.557 775 H VAL 99 H VAL 99 0.231 -12.330 12.149 776 HA VAL 99 HA VAL 99 2.483 -11.498 13.905 777 HB VAL 99 HB VAL 99 0.691 -9.598 12.331 778 HG11 VAL 99 HG11 VAL 99 2.464 -7.928 12.726 779 HG12 VAL 99 HG12 VAL 99 3.388 -9.124 13.642 780 HG13 VAL 99 HG13 VAL 99 1.824 -8.572 14.242 781 HG21 VAL 99 HG21 VAL 99 1.832 -11.009 10.681 782 HG22 VAL 99 HG22 VAL 99 3.389 -10.668 11.435 783 HG23 VAL 99 HG23 VAL 99 2.492 -9.371 10.645 784 H GLU 100 H GLU 100 1.837 -11.425 15.979 785 HA GLU 100 HA GLU 100 -0.920 -10.860 16.731 786 HB2 GLU 100 HB2 GLU 100 -0.115 -11.120 19.060 787 HB3 GLU 100 HB3 GLU 100 0.339 -12.508 18.077 788 HG2 GLU 100 HG2 GLU 100 2.626 -11.773 17.952 789 HG3 GLU 100 HG3 GLU 100 2.237 -10.221 18.680 790 H ILE 101 H ILE 101 -1.645 -8.850 17.087 791 HA ILE 101 HA ILE 101 0.262 -6.682 17.734 792 HB ILE 101 HB ILE 101 -1.262 -5.050 16.647 793 HG12 ILE 101 HG12 ILE 101 -2.780 -7.441 15.510 794 HG13 ILE 101 HG13 ILE 101 -3.376 -6.442 16.819 795 HG21 ILE 101 HG21 ILE 101 -0.717 -5.590 14.294 796 HG22 ILE 101 HG22 ILE 101 -0.348 -7.252 14.756 797 HG23 ILE 101 HG23 ILE 101 0.641 -5.928 15.364 798 HD11 ILE 101 HD11 ILE 101 -4.401 -5.823 14.736 799 HD12 ILE 101 HD12 ILE 101 -2.822 -5.527 14.008 800 HD13 ILE 101 HD13 ILE 101 -3.396 -4.501 15.327 801 H GLU 102 H GLU 102 -0.504 -5.117 19.199 802 HA GLU 102 HA GLU 102 -2.704 -5.954 20.985 803 HB2 GLU 102 HB2 GLU 102 -0.326 -6.564 21.819 804 HB3 GLU 102 HB3 GLU 102 -0.033 -4.840 21.970 805 HG2 GLU 102 HG2 GLU 102 -2.221 -6.361 23.434 806 HG3 GLU 102 HG3 GLU 102 -0.638 -6.007 24.109 807 H THR 103 H THR 103 -4.118 -4.420 20.553 808 HA THR 103 HA THR 103 -3.754 -1.711 21.309 809 HB THR 103 HB THR 103 -2.689 -1.286 19.197 810 HG1 THR 103 HG1 THR 103 -4.757 -0.316 18.000 811 HG21 THR 103 HG21 THR 103 -3.250 -3.385 18.026 812 HG22 THR 103 HG22 THR 103 -3.545 -1.977 17.008 813 HG23 THR 103 HG23 THR 103 -4.895 -2.804 17.775 814 H ASP 104 H ASP 104 -5.820 -0.502 21.044 815 HA ASP 104 HA ASP 104 -8.097 -2.270 21.553 816 HB2 ASP 104 HB2 ASP 104 -9.237 -0.212 22.314 817 HB3 ASP 104 HB3 ASP 104 -7.656 -0.355 23.070 818 H GLU 105 H GLU 105 -6.831 -0.390 18.971 819 HA GLU 105 HA GLU 105 -9.315 -0.642 17.396 820 HB2 GLU 105 HB2 GLU 105 -8.939 1.636 16.471 821 HB3 GLU 105 HB3 GLU 105 -9.246 1.657 18.204 822 HG2 GLU 105 HG2 GLU 105 -6.823 1.899 18.626 823 HG3 GLU 105 HG3 GLU 105 -6.532 1.919 16.886 824 H ILE 106 H ILE 106 -9.045 -1.096 15.257 825 HA ILE 106 HA ILE 106 -6.345 -1.903 14.380 826 HB ILE 106 HB ILE 106 -8.085 -3.679 14.410 827 HG12 ILE 106 HG12 ILE 106 -7.802 -4.477 12.018 828 HG13 ILE 106 HG13 ILE 106 -7.116 -2.905 11.620 829 HG21 ILE 106 HG21 ILE 106 -9.995 -3.674 12.844 830 HG22 ILE 106 HG22 ILE 106 -9.582 -2.032 12.345 831 HG23 ILE 106 HG23 ILE 106 -10.099 -2.343 14.002 832 HD11 ILE 106 HD11 ILE 106 -5.977 -4.852 13.623 833 HD12 ILE 106 HD12 ILE 106 -5.268 -3.312 13.131 834 HD13 ILE 106 HD13 ILE 106 -5.425 -4.621 11.966 835 H GLY 107 H GLY 107 -8.975 0.305 13.662 836 HA2 GLY 107 HA2 GLY 107 -8.363 0.685 10.854 837 HA3 GLY 107 HA3 GLY 107 -9.583 1.521 11.792 838 H THR 108 H THR 108 -6.227 1.502 12.816 839 HA THR 108 HA THR 108 -5.669 4.110 11.549 840 HB THR 108 HB THR 108 -6.403 4.492 13.934 841 HG1 THR 108 HG1 THR 108 -4.868 5.993 14.247 842 HG21 THR 108 HG21 THR 108 -4.926 3.848 15.796 843 HG22 THR 108 HG22 THR 108 -3.880 2.962 14.687 844 HG23 THR 108 HG23 THR 108 -5.533 2.410 14.970 845 H LEU 109 H LEU 109 -4.790 0.924 11.924 846 HA LEU 109 HA LEU 109 -1.964 1.354 11.314 847 HB2 LEU 109 HB2 LEU 109 -1.378 -0.424 13.106 848 HB3 LEU 109 HB3 LEU 109 -1.690 1.217 13.616 849 HG LEU 109 HG LEU 109 -4.159 0.326 14.063 850 HD11 LEU 109 HD11 LEU 109 -4.310 -1.976 14.795 851 HD12 LEU 109 HD12 LEU 109 -2.636 -2.274 14.326 852 HD13 LEU 109 HD13 LEU 109 -3.849 -1.909 13.092 853 HD21 LEU 109 HD21 LEU 109 -1.873 -0.335 15.945 854 HD22 LEU 109 HD22 LEU 109 -3.574 -0.170 16.393 855 HD23 LEU 109 HD23 LEU 109 -2.683 1.226 15.795 856 H LEU 110 H LEU 110 -4.754 -0.231 10.552 857 HA LEU 110 HA LEU 110 -3.415 -1.682 8.472 858 HB2 LEU 110 HB2 LEU 110 -3.290 -3.404 10.252 859 HB3 LEU 110 HB3 LEU 110 -5.017 -3.274 10.517 860 HG LEU 110 HG LEU 110 -5.443 -4.205 8.249 861 HD11 LEU 110 HD11 LEU 110 -3.445 -3.451 7.083 862 HD12 LEU 110 HD12 LEU 110 -3.641 -5.194 6.917 863 HD13 LEU 110 HD13 LEU 110 -2.443 -4.546 8.040 864 HD21 LEU 110 HD21 LEU 110 -3.652 -5.978 9.945 865 HD22 LEU 110 HD22 LEU 110 -4.802 -6.526 8.721 866 HD23 LEU 110 HD23 LEU 110 -5.385 -5.724 10.177 867 H THR 111 H THR 111 -4.760 -2.056 6.746 868 HA THR 111 HA THR 111 -7.384 -0.710 6.815 869 HB THR 111 HB THR 111 -5.557 -1.226 4.422 870 HG1 THR 111 HG1 THR 111 -5.639 0.759 6.336 871 HG21 THR 111 HG21 THR 111 -7.021 0.390 3.251 872 HG22 THR 111 HG22 THR 111 -8.055 0.487 4.683 873 HG23 THR 111 HG23 THR 111 -7.935 -1.026 3.784 874 H LEU 112 H LEU 112 -9.206 -1.741 6.144 875 HA LEU 112 HA LEU 112 -9.092 -4.586 5.314 876 HB2 LEU 112 HB2 LEU 112 -10.946 -3.428 7.444 877 HB3 LEU 112 HB3 LEU 112 -10.862 -5.112 6.940 878 HG LEU 112 HG LEU 112 -8.489 -3.713 8.200 879 HD11 LEU 112 HD11 LEU 112 -10.611 -5.234 9.690 880 HD12 LEU 112 HD12 LEU 112 -10.286 -3.499 9.780 881 HD13 LEU 112 HD13 LEU 112 -9.080 -4.648 10.351 882 HD21 LEU 112 HD21 LEU 112 -7.718 -5.971 8.709 883 HD22 LEU 112 HD22 LEU 112 -7.969 -5.753 6.980 884 HD23 LEU 112 HD23 LEU 112 -9.155 -6.648 7.935 885 H VAL 113 H VAL 113 -10.996 -5.325 4.224 886 HA VAL 113 HA VAL 113 -12.639 -3.292 2.881 887 HB VAL 113 HB VAL 113 -13.422 -5.179 1.411 888 HG11 VAL 113 HG11 VAL 113 -11.539 -3.800 0.664 889 HG12 VAL 113 HG12 VAL 113 -11.346 -5.467 0.118 890 HG13 VAL 113 HG13 VAL 113 -10.401 -4.871 1.486 891 HG21 VAL 113 HG21 VAL 113 -13.128 -7.070 2.981 892 HG22 VAL 113 HG22 VAL 113 -11.376 -6.888 2.895 893 HG23 VAL 113 HG23 VAL 113 -12.281 -7.379 1.462 894 H ASP 114 H ASP 114 -12.811 -5.880 5.212 895 HA ASP 114 HA ASP 114 -15.644 -6.335 5.093 896 HB2 ASP 114 HB2 ASP 114 -14.022 -8.098 5.789 897 HB3 ASP 114 HB3 ASP 114 -13.611 -7.151 7.213 898 H GLN 115 H GLN 115 -13.467 -4.877 7.546 899 HA GLN 115 HA GLN 115 -15.522 -3.678 9.090 900 HB2 GLN 115 HB2 GLN 115 -12.535 -3.169 8.896 901 HB3 GLN 115 HB3 GLN 115 -13.557 -2.186 9.939 902 HG2 GLN 115 HG2 GLN 115 -13.228 -5.197 10.146 903 HG3 GLN 115 HG3 GLN 115 -12.422 -4.007 11.165 904 HE21 GLN 115 HE21 GLN 115 -13.683 -2.784 12.657 905 HE22 GLN 115 HE22 GLN 115 -15.232 -3.343 13.184 906 HA PRO 116 HA PRO 116 -16.740 -0.196 6.559 907 HB2 PRO 116 HB2 PRO 116 -17.378 1.660 8.533 908 HB3 PRO 116 HB3 PRO 116 -18.432 0.333 8.034 909 HG2 PRO 116 HG2 PRO 116 -16.542 0.475 10.375 910 HG3 PRO 116 HG3 PRO 116 -18.204 -0.150 10.317 911 HD2 PRO 116 HD2 PRO 116 -16.103 -1.822 10.275 912 HD3 PRO 116 HD3 PRO 116 -17.550 -2.162 9.297 913 H GLN 117 H GLN 117 -15.200 0.728 5.429 914 HA GLN 117 HA GLN 117 -12.725 1.728 6.441 915 HB2 GLN 117 HB2 GLN 117 -13.973 2.194 3.692 916 HB3 GLN 117 HB3 GLN 117 -12.267 2.336 4.106 917 HG2 GLN 117 HG2 GLN 117 -12.118 -0.063 4.475 918 HG3 GLN 117 HG3 GLN 117 -13.849 -0.248 4.218 919 HE21 GLN 117 HE21 GLN 117 -13.865 1.613 1.901 920 HE22 GLN 117 HE22 GLN 117 -13.167 0.716 0.606 921 H ALA 118 H ALA 118 -12.815 3.469 7.737 922 HA ALA 118 HA ALA 118 -13.258 5.439 8.693 923 HB1 ALA 118 HB1 ALA 118 -12.629 6.526 6.574 924 HB2 ALA 118 HB2 ALA 118 -13.925 7.407 7.381 925 HB3 ALA 118 HB3 ALA 118 -14.294 6.385 5.992 Start of MODEL 7 1 H MET 1 H MET 1 2.849 0.129 0.826 2 HA MET 1 HA MET 1 2.707 2.166 -1.309 3 HB2 MET 1 HB2 MET 1 4.430 2.613 0.524 4 HB3 MET 1 HB3 MET 1 5.199 1.092 0.098 5 HG2 MET 1 HG2 MET 1 5.638 1.997 -2.179 6 HG3 MET 1 HG3 MET 1 4.931 3.534 -1.678 7 HE1 MET 1 HE1 MET 1 7.893 3.103 -2.944 8 HE2 MET 1 HE2 MET 1 8.844 4.199 -1.940 9 HE3 MET 1 HE3 MET 1 7.261 4.699 -2.533 10 H ARG 2 H ARG 2 1.785 -0.730 -1.048 11 HA ARG 2 HA ARG 2 1.753 -2.700 -2.156 12 HB2 ARG 2 HB2 ARG 2 3.265 -1.384 -4.443 13 HB3 ARG 2 HB3 ARG 2 2.166 -2.759 -4.529 14 HG2 ARG 2 HG2 ARG 2 0.261 -1.264 -4.048 15 HG3 ARG 2 HG3 ARG 2 1.368 0.110 -3.918 16 HD2 ARG 2 HD2 ARG 2 0.775 -1.551 -6.396 17 HD3 ARG 2 HD3 ARG 2 0.373 0.155 -6.124 18 HE ARG 2 HE ARG 2 3.202 -0.621 -6.093 19 HH11 ARG 2 HH11 ARG 2 0.634 1.018 -7.824 20 HH12 ARG 2 HH12 ARG 2 1.712 1.694 -9.001 21 HH21 ARG 2 HH21 ARG 2 4.584 0.239 -7.623 22 HH22 ARG 2 HH22 ARG 2 3.959 1.260 -8.881 23 H LEU 3 H LEU 3 3.098 -3.860 -0.804 24 HA LEU 3 HA LEU 3 5.971 -4.050 -1.531 25 HB2 LEU 3 HB2 LEU 3 5.105 -4.663 1.296 26 HB3 LEU 3 HB3 LEU 3 6.627 -4.042 0.696 27 HG LEU 3 HG LEU 3 5.192 -1.828 0.217 28 HD11 LEU 3 HD11 LEU 3 3.439 -1.417 1.870 29 HD12 LEU 3 HD12 LEU 3 3.573 -3.078 2.451 30 HD13 LEU 3 HD13 LEU 3 3.015 -2.757 0.806 31 HD21 LEU 3 HD21 LEU 3 7.115 -1.863 1.719 32 HD22 LEU 3 HD22 LEU 3 6.131 -2.552 3.011 33 HD23 LEU 3 HD23 LEU 3 5.804 -0.919 2.424 34 H LYS 4 H LYS 4 6.964 -6.154 -0.832 35 HA LYS 4 HA LYS 4 5.408 -8.444 -1.601 36 HB2 LYS 4 HB2 LYS 4 7.407 -9.687 -1.414 37 HB3 LYS 4 HB3 LYS 4 7.974 -8.086 -1.862 38 HG2 LYS 4 HG2 LYS 4 8.657 -7.643 0.454 39 HG3 LYS 4 HG3 LYS 4 7.962 -9.181 0.970 40 HD2 LYS 4 HD2 LYS 4 10.208 -9.758 0.818 41 HD3 LYS 4 HD3 LYS 4 9.629 -10.242 -0.774 42 HE2 LYS 4 HE2 LYS 4 11.690 -9.110 -1.133 43 HE3 LYS 4 HE3 LYS 4 10.438 -7.956 -1.601 44 HZ1 LYS 4 HZ1 LYS 4 11.785 -8.007 1.044 45 HZ2 LYS 4 HZ2 LYS 4 10.688 -6.842 0.494 46 HZ3 LYS 4 HZ3 LYS 4 12.205 -6.983 -0.231 47 H SER 5 H SER 5 5.466 -10.466 0.018 48 HA SER 5 HA SER 5 3.655 -9.982 2.086 49 HB2 SER 5 HB2 SER 5 5.583 -12.341 1.993 50 HB3 SER 5 HB3 SER 5 3.965 -12.305 2.706 51 HG SER 5 HG SER 5 3.491 -13.085 0.811 52 H GLU 6 H GLU 6 7.132 -10.598 2.324 53 HA GLU 6 HA GLU 6 7.540 -10.441 5.075 54 HB2 GLU 6 HB2 GLU 6 9.184 -11.411 3.604 55 HB3 GLU 6 HB3 GLU 6 9.347 -9.934 2.675 56 HG2 GLU 6 HG2 GLU 6 10.177 -10.022 5.579 57 HG3 GLU 6 HG3 GLU 6 11.241 -10.660 4.329 58 H MET 7 H MET 7 7.956 -7.933 2.620 59 HA MET 7 HA MET 7 8.783 -5.899 4.451 60 HB2 MET 7 HB2 MET 7 9.546 -6.060 2.075 61 HB3 MET 7 HB3 MET 7 7.918 -5.670 1.536 62 HG2 MET 7 HG2 MET 7 9.302 -3.713 1.347 63 HG3 MET 7 HG3 MET 7 8.139 -3.444 2.637 64 HE1 MET 7 HE1 MET 7 8.942 -2.105 4.668 65 HE2 MET 7 HE2 MET 7 10.294 -2.655 5.661 66 HE3 MET 7 HE3 MET 7 8.927 -3.728 5.354 67 H PHE 8 H PHE 8 5.693 -6.973 3.218 68 HA PHE 8 HA PHE 8 4.205 -4.594 3.784 69 HB2 PHE 8 HB2 PHE 8 3.271 -6.266 2.202 70 HB3 PHE 8 HB3 PHE 8 3.162 -7.458 3.496 71 HD1 PHE 8 HD1 PHE 8 1.737 -4.282 2.192 72 HD2 PHE 8 HD2 PHE 8 1.360 -7.336 5.169 73 HE1 PHE 8 HE1 PHE 8 -0.452 -3.387 2.854 74 HE2 PHE 8 HE2 PHE 8 -0.831 -6.430 5.807 75 HZ PHE 8 HZ PHE 8 -1.740 -4.456 4.651 76 H VAL 9 H VAL 9 4.778 -7.677 5.496 77 HA VAL 9 HA VAL 9 3.261 -7.137 7.814 78 HB VAL 9 HB VAL 9 5.739 -8.913 7.521 79 HG11 VAL 9 HG11 VAL 9 4.984 -10.010 9.617 80 HG12 VAL 9 HG12 VAL 9 3.797 -8.719 9.825 81 HG13 VAL 9 HG13 VAL 9 5.517 -8.344 9.848 82 HG21 VAL 9 HG21 VAL 9 2.785 -9.637 7.546 83 HG22 VAL 9 HG22 VAL 9 4.130 -10.775 7.422 84 HG23 VAL 9 HG23 VAL 9 3.829 -9.623 6.122 85 H SER 10 H SER 10 6.681 -6.615 7.073 86 HA SER 10 HA SER 10 7.534 -5.509 9.494 87 HB2 SER 10 HB2 SER 10 9.061 -6.328 7.733 88 HB3 SER 10 HB3 SER 10 8.587 -4.996 6.678 89 HG SER 10 HG SER 10 9.704 -4.631 9.248 90 H ALA 11 H ALA 11 6.054 -3.970 6.651 91 HA ALA 11 HA ALA 11 6.250 -1.257 7.602 92 HB1 ALA 11 HB1 ALA 11 4.775 -0.704 5.708 93 HB2 ALA 11 HB2 ALA 11 4.450 -2.421 5.444 94 HB3 ALA 11 HB3 ALA 11 6.075 -1.782 5.195 95 H LEU 12 H LEU 12 3.824 -3.798 7.770 96 HA LEU 12 HA LEU 12 1.563 -2.370 8.636 97 HB2 LEU 12 HB2 LEU 12 1.275 -4.572 7.754 98 HB3 LEU 12 HB3 LEU 12 2.440 -5.252 8.872 99 HG LEU 12 HG LEU 12 0.817 -4.940 10.741 100 HD11 LEU 12 HD11 LEU 12 -1.129 -4.035 8.622 101 HD12 LEU 12 HD12 LEU 12 -0.456 -3.048 9.924 102 HD13 LEU 12 HD13 LEU 12 -1.516 -4.405 10.306 103 HD21 LEU 12 HD21 LEU 12 0.947 -7.085 9.546 104 HD22 LEU 12 HD22 LEU 12 -0.296 -6.533 8.416 105 HD23 LEU 12 HD23 LEU 12 -0.687 -6.760 10.123 106 H ILE 13 H ILE 13 4.188 -3.872 10.351 107 HA ILE 13 HA ILE 13 3.280 -3.516 13.001 108 HB ILE 13 HB ILE 13 6.040 -3.944 11.783 109 HG12 ILE 13 HG12 ILE 13 4.231 -5.913 13.277 110 HG13 ILE 13 HG13 ILE 13 4.207 -5.733 11.533 111 HG21 ILE 13 HG21 ILE 13 5.315 -4.066 14.733 112 HG22 ILE 13 HG22 ILE 13 6.382 -2.886 13.971 113 HG23 ILE 13 HG23 ILE 13 6.849 -4.587 14.033 114 HD11 ILE 13 HD11 ILE 13 6.497 -6.683 13.207 115 HD12 ILE 13 HD12 ILE 13 6.526 -6.452 11.453 116 HD13 ILE 13 HD13 ILE 13 5.432 -7.642 12.170 117 H ARG 14 H ARG 14 5.129 -1.432 10.792 118 HA ARG 14 HA ARG 14 5.631 0.666 12.713 119 HB2 ARG 14 HB2 ARG 14 5.897 0.456 9.706 120 HB3 ARG 14 HB3 ARG 14 5.913 2.054 10.436 121 HG2 ARG 14 HG2 ARG 14 8.191 1.248 10.086 122 HG3 ARG 14 HG3 ARG 14 7.856 1.452 11.806 123 HD2 ARG 14 HD2 ARG 14 7.459 -1.009 11.974 124 HD3 ARG 14 HD3 ARG 14 7.907 -1.165 10.272 125 HE ARG 14 HE ARG 14 9.801 -0.004 12.209 126 HH11 ARG 14 HH11 ARG 14 9.045 -2.544 9.918 127 HH12 ARG 14 HH12 ARG 14 10.624 -3.254 10.002 128 HH21 ARG 14 HH21 ARG 14 11.867 -0.953 12.314 129 HH22 ARG 14 HH22 ARG 14 12.221 -2.353 11.355 130 H ARG 15 H ARG 15 3.022 -0.119 10.490 131 HA ARG 15 HA ARG 15 1.603 2.334 10.519 132 HB2 ARG 15 HB2 ARG 15 0.523 -0.498 10.132 133 HB3 ARG 15 HB3 ARG 15 -0.386 0.976 9.804 134 HG2 ARG 15 HG2 ARG 15 1.195 1.583 8.028 135 HG3 ARG 15 HG3 ARG 15 2.162 0.152 8.381 136 HD2 ARG 15 HD2 ARG 15 0.152 -1.270 7.775 137 HD3 ARG 15 HD3 ARG 15 -0.667 0.213 7.258 138 HE ARG 15 HE ARG 15 1.913 -0.106 6.041 139 HH11 ARG 15 HH11 ARG 15 -1.454 -1.088 5.679 140 HH12 ARG 15 HH12 ARG 15 -1.289 -1.374 3.972 141 HH21 ARG 15 HH21 ARG 15 2.084 -0.497 3.833 142 HH22 ARG 15 HH22 ARG 15 0.701 -1.039 2.939 143 H VAL 16 H VAL 16 1.444 -0.546 12.627 144 HA VAL 16 HA VAL 16 -0.817 0.421 14.109 145 HB VAL 16 HB VAL 16 -0.634 -1.479 15.559 146 HG11 VAL 16 HG11 VAL 16 0.147 -2.397 12.767 147 HG12 VAL 16 HG12 VAL 16 -1.476 -1.970 13.295 148 HG13 VAL 16 HG13 VAL 16 -0.669 -3.370 13.996 149 HG21 VAL 16 HG21 VAL 16 2.106 -2.076 14.410 150 HG22 VAL 16 HG22 VAL 16 1.240 -3.014 15.632 151 HG23 VAL 16 HG23 VAL 16 1.795 -1.388 16.004 152 H PHE 17 H PHE 17 2.725 0.367 14.735 153 HA PHE 17 HA PHE 17 2.587 1.364 17.389 154 HB2 PHE 17 HB2 PHE 17 4.828 1.100 15.373 155 HB3 PHE 17 HB3 PHE 17 5.101 2.076 16.811 156 HD1 PHE 17 HD2 PHE 17 4.775 0.985 19.109 157 HD2 PHE 17 HD1 PHE 17 5.022 -1.302 15.512 158 HE1 PHE 17 HE2 PHE 17 5.323 -1.025 20.411 159 HE2 PHE 17 HE1 PHE 17 5.560 -3.308 16.820 160 HZ PHE 17 HZ PHE 17 5.715 -3.172 19.273 161 H ALA 18 H ALA 18 2.800 2.969 14.258 162 HA ALA 18 HA ALA 18 3.064 5.645 15.229 163 HB1 ALA 18 HB1 ALA 18 2.492 6.301 12.925 164 HB2 ALA 18 HB2 ALA 18 1.995 4.643 12.569 165 HB3 ALA 18 HB3 ALA 18 3.682 4.998 12.940 166 H ALA 19 H ALA 19 0.345 3.490 14.866 167 HA ALA 19 HA ALA 19 -1.685 5.556 15.237 168 HB1 ALA 19 HB1 ALA 19 -1.955 2.535 15.149 169 HB2 ALA 19 HB2 ALA 19 -2.136 3.627 13.776 170 HB3 ALA 19 HB3 ALA 19 -3.285 3.698 15.112 171 H GLY 20 H GLY 20 0.335 3.648 17.256 172 HA2 GLY 20 HA2 GLY 20 0.546 4.136 19.594 173 HA3 GLY 20 HA3 GLY 20 -1.177 4.476 19.674 174 H GLY 21 H GLY 21 0.062 1.696 18.004 175 HA2 GLY 21 HA2 GLY 21 -1.060 -0.138 20.049 176 HA3 GLY 21 HA3 GLY 21 -1.262 -0.368 18.318 177 H PHE 22 H PHE 22 -0.334 -2.499 19.303 178 HA PHE 22 HA PHE 22 2.641 -2.507 19.302 179 HB2 PHE 22 HB2 PHE 22 1.737 -3.166 21.492 180 HB3 PHE 22 HB3 PHE 22 0.651 -4.332 20.747 181 HD1 PHE 22 HD1 PHE 22 4.280 -3.573 21.291 182 HD2 PHE 22 HD2 PHE 22 1.370 -6.587 20.413 183 HE1 PHE 22 HE1 PHE 22 6.002 -5.313 21.513 184 HE2 PHE 22 HE2 PHE 22 3.100 -8.319 20.643 185 HZ PHE 22 HZ PHE 22 5.415 -7.684 21.193 186 H ALA 23 H ALA 23 3.657 -4.390 18.256 187 HA ALA 23 HA ALA 23 2.073 -6.376 16.913 188 HB1 ALA 23 HB1 ALA 23 3.595 -4.393 15.209 189 HB2 ALA 23 HB2 ALA 23 1.858 -4.687 15.211 190 HB3 ALA 23 HB3 ALA 23 2.953 -5.931 14.622 191 H ALA 24 H ALA 24 3.308 -8.043 15.909 192 HA ALA 24 HA ALA 24 6.161 -8.215 15.985 193 HB1 ALA 24 HB1 ALA 24 5.778 -8.418 18.408 194 HB2 ALA 24 HB2 ALA 24 6.328 -9.962 17.754 195 HB3 ALA 24 HB3 ALA 24 4.622 -9.723 18.141 196 H VAL 25 H VAL 25 6.850 -10.034 14.762 197 HA VAL 25 HA VAL 25 4.719 -11.425 13.293 198 HB VAL 25 HB VAL 25 7.696 -11.730 12.732 199 HG11 VAL 25 HG11 VAL 25 5.283 -12.042 10.918 200 HG12 VAL 25 HG12 VAL 25 6.224 -13.360 11.622 201 HG13 VAL 25 HG13 VAL 25 6.970 -12.276 10.447 202 HG21 VAL 25 HG21 VAL 25 7.531 -9.928 11.072 203 HG22 VAL 25 HG22 VAL 25 7.300 -9.351 12.723 204 HG23 VAL 25 HG23 VAL 25 5.908 -9.556 11.660 205 H GLU 26 H GLU 26 3.972 -13.185 14.386 206 HA GLU 26 HA GLU 26 5.582 -14.982 15.940 207 HB2 GLU 26 HB2 GLU 26 2.725 -15.170 14.895 208 HB3 GLU 26 HB3 GLU 26 3.467 -16.443 15.862 209 HG2 GLU 26 HG2 GLU 26 3.018 -13.575 16.745 210 HG3 GLU 26 HG3 GLU 26 2.057 -14.972 17.230 211 H LYS 27 H LYS 27 3.814 -15.485 12.854 212 HA LYS 27 HA LYS 27 5.624 -17.753 12.234 213 HB2 LYS 27 HB2 LYS 27 3.203 -18.314 12.535 214 HB3 LYS 27 HB3 LYS 27 2.799 -17.220 11.215 215 HG2 LYS 27 HG2 LYS 27 4.025 -18.626 9.627 216 HG3 LYS 27 HG3 LYS 27 4.545 -19.690 10.936 217 HD2 LYS 27 HD2 LYS 27 2.118 -20.219 11.376 218 HD3 LYS 27 HD3 LYS 27 1.695 -19.272 9.947 219 HE2 LYS 27 HE2 LYS 27 1.738 -21.649 9.395 220 HE3 LYS 27 HE3 LYS 27 3.051 -20.828 8.553 221 HZ1 LYS 27 HZ1 LYS 27 3.729 -22.943 9.527 222 HZ2 LYS 27 HZ2 LYS 27 3.338 -22.372 11.069 223 HZ3 LYS 27 HZ3 LYS 27 4.591 -21.651 10.196 224 H LYS 28 H LYS 28 6.453 -17.949 10.184 225 HA LYS 28 HA LYS 28 6.263 -15.660 8.320 226 HB2 LYS 28 HB2 LYS 28 8.401 -15.448 9.421 227 HB3 LYS 28 HB3 LYS 28 8.739 -17.168 9.274 228 HG2 LYS 28 HG2 LYS 28 9.101 -16.981 6.902 229 HG3 LYS 28 HG3 LYS 28 8.490 -15.326 6.881 230 HD2 LYS 28 HD2 LYS 28 10.437 -14.612 8.262 231 HD3 LYS 28 HD3 LYS 28 11.059 -16.267 8.219 232 HE2 LYS 28 HE2 LYS 28 11.349 -16.142 5.799 233 HE3 LYS 28 HE3 LYS 28 10.560 -14.563 5.746 234 HZ1 LYS 28 HZ1 LYS 28 12.385 -13.713 7.132 235 HZ2 LYS 28 HZ2 LYS 28 12.897 -14.265 5.620 236 HZ3 LYS 28 HZ3 LYS 28 13.165 -15.207 7.003 237 H GLY 29 H GLY 29 6.028 -16.214 6.211 238 HA2 GLY 29 HA2 GLY 29 6.490 -19.018 5.344 239 HA3 GLY 29 HA3 GLY 29 5.073 -18.098 4.853 240 H ALA 30 H ALA 30 5.389 -17.870 2.686 241 HA ALA 30 HA ALA 30 7.951 -17.414 1.479 242 HB1 ALA 30 HB1 ALA 30 5.176 -17.132 0.258 243 HB2 ALA 30 HB2 ALA 30 6.156 -18.599 0.271 244 HB3 ALA 30 HB3 ALA 30 6.703 -17.186 -0.633 245 H GLU 31 H GLU 31 8.926 -15.517 1.029 246 HA GLU 31 HA GLU 31 7.986 -13.193 2.417 247 HB2 GLU 31 HB2 GLU 31 10.452 -13.579 0.677 248 HB3 GLU 31 HB3 GLU 31 10.157 -12.205 1.748 249 HG2 GLU 31 HG2 GLU 31 10.102 -13.728 3.686 250 HG3 GLU 31 HG3 GLU 31 10.413 -15.099 2.629 251 H ALA 32 H ALA 32 8.035 -14.153 -0.947 252 HA ALA 32 HA ALA 32 7.408 -11.481 -1.937 253 HB1 ALA 32 HB1 ALA 32 7.477 -12.512 -4.165 254 HB2 ALA 32 HB2 ALA 32 7.628 -14.113 -3.435 255 HB3 ALA 32 HB3 ALA 32 8.917 -12.925 -3.232 256 H ALA 33 H ALA 33 5.772 -14.695 -2.009 257 HA ALA 33 HA ALA 33 3.200 -13.353 -2.701 258 HB1 ALA 33 HB1 ALA 33 2.659 -15.339 -4.040 259 HB2 ALA 33 HB2 ALA 33 4.192 -16.087 -3.580 260 HB3 ALA 33 HB3 ALA 33 4.185 -14.627 -4.569 261 H GLY 34 H GLY 34 4.480 -14.543 -0.045 262 HA2 GLY 34 HA2 GLY 34 2.772 -16.628 0.852 263 HA3 GLY 34 HA3 GLY 34 3.716 -15.550 1.869 264 H ALA 35 H ALA 35 0.963 -16.616 2.166 265 HA ALA 35 HA ALA 35 -0.896 -14.423 1.999 266 HB1 ALA 35 HB1 ALA 35 -1.017 -17.012 3.604 267 HB2 ALA 35 HB2 ALA 35 -1.684 -16.760 1.992 268 HB3 ALA 35 HB3 ALA 35 -2.364 -15.893 3.370 269 H ILE 36 H ILE 36 -1.888 -13.496 4.063 270 HA ILE 36 HA ILE 36 0.047 -13.217 6.280 271 HB ILE 36 HB ILE 36 -1.380 -10.758 5.167 272 HG12 ILE 36 HG12 ILE 36 0.220 -11.546 3.391 273 HG13 ILE 36 HG13 ILE 36 0.627 -9.965 4.043 274 HG21 ILE 36 HG21 ILE 36 0.257 -9.508 6.553 275 HG22 ILE 36 HG22 ILE 36 0.969 -11.034 7.085 276 HG23 ILE 36 HG23 ILE 36 -0.696 -10.640 7.515 277 HD11 ILE 36 HD11 ILE 36 2.401 -10.967 5.375 278 HD12 ILE 36 HD12 ILE 36 2.593 -11.323 3.664 279 HD13 ILE 36 HD13 ILE 36 1.983 -12.564 4.754 280 H PHE 37 H PHE 37 -1.182 -14.099 7.866 281 HA PHE 37 HA PHE 37 -3.972 -13.190 8.237 282 HB2 PHE 37 HB2 PHE 37 -2.524 -15.720 9.103 283 HB3 PHE 37 HB3 PHE 37 -4.022 -15.210 9.879 284 HD1 PHE 37 HD1 PHE 37 -2.632 -15.852 6.440 285 HD2 PHE 37 HD2 PHE 37 -6.071 -15.955 8.987 286 HE1 PHE 37 HE1 PHE 37 -3.937 -16.898 4.643 287 HE2 PHE 37 HE2 PHE 37 -7.362 -16.999 7.181 288 HZ PHE 37 HZ PHE 37 -6.301 -17.475 5.012 289 H VAL 38 H VAL 38 -4.138 -11.599 9.634 290 HA VAL 38 HA VAL 38 -2.076 -11.221 11.730 291 HB VAL 38 HB VAL 38 -3.966 -9.135 10.520 292 HG11 VAL 38 HG11 VAL 38 -1.546 -8.760 12.333 293 HG12 VAL 38 HG12 VAL 38 -3.233 -8.574 12.820 294 HG13 VAL 38 HG13 VAL 38 -2.532 -7.467 11.639 295 HG21 VAL 38 HG21 VAL 38 -2.342 -9.944 8.835 296 HG22 VAL 38 HG22 VAL 38 -1.010 -9.578 9.938 297 HG23 VAL 38 HG23 VAL 38 -2.010 -8.272 9.298 298 H ARG 39 H ARG 39 -2.712 -11.176 13.818 299 HA ARG 39 HA ARG 39 -5.587 -11.383 14.474 300 HB2 ARG 39 HB2 ARG 39 -4.773 -12.382 16.659 301 HB3 ARG 39 HB3 ARG 39 -4.441 -13.362 15.237 302 HG2 ARG 39 HG2 ARG 39 -2.124 -12.892 15.295 303 HG3 ARG 39 HG3 ARG 39 -2.349 -11.499 16.345 304 HD2 ARG 39 HD2 ARG 39 -1.361 -13.223 17.658 305 HD3 ARG 39 HD3 ARG 39 -3.036 -13.059 18.181 306 HE ARG 39 HE ARG 39 -2.214 -15.188 16.303 307 HH11 ARG 39 HH11 ARG 39 -3.863 -14.231 19.260 308 HH12 ARG 39 HH12 ARG 39 -4.191 -15.868 19.731 309 HH21 ARG 39 HH21 ARG 39 -2.669 -17.321 16.933 310 HH22 ARG 39 HH22 ARG 39 -3.518 -17.611 18.419 311 H GLN 40 H GLN 40 -6.417 -9.497 15.196 312 HA GLN 40 HA GLN 40 -4.780 -7.449 16.506 313 HB2 GLN 40 HB2 GLN 40 -6.478 -6.625 14.953 314 HB3 GLN 40 HB3 GLN 40 -7.742 -7.528 15.789 315 HG2 GLN 40 HG2 GLN 40 -7.277 -6.120 17.837 316 HG3 GLN 40 HG3 GLN 40 -6.191 -5.147 16.853 317 HE21 GLN 40 HE21 GLN 40 -8.632 -4.460 18.295 318 HE22 GLN 40 HE22 GLN 40 -9.688 -3.739 17.129 319 H ARG 41 H ARG 41 -4.656 -7.235 18.716 320 HA ARG 41 HA ARG 41 -6.385 -8.946 20.386 321 HB2 ARG 41 HB2 ARG 41 -3.860 -9.194 20.515 322 HB3 ARG 41 HB3 ARG 41 -3.806 -7.579 21.204 323 HG2 ARG 41 HG2 ARG 41 -5.061 -8.268 23.151 324 HG3 ARG 41 HG3 ARG 41 -5.419 -9.842 22.439 325 HD2 ARG 41 HD2 ARG 41 -3.699 -10.086 24.128 326 HD3 ARG 41 HD3 ARG 41 -3.005 -10.411 22.538 327 HE ARG 41 HE ARG 41 -2.654 -7.685 23.375 328 HH11 ARG 41 HH11 ARG 41 -1.275 -10.912 23.646 329 HH12 ARG 41 HH12 ARG 41 0.281 -10.321 24.130 330 HH21 ARG 41 HH21 ARG 41 -0.614 -6.947 24.013 331 HH22 ARG 41 HH22 ARG 41 0.653 -8.090 24.343 332 H LEU 42 H LEU 42 -7.462 -8.125 22.118 333 HA LEU 42 HA LEU 42 -7.748 -5.195 22.357 334 HB2 LEU 42 HB2 LEU 42 -9.821 -7.409 22.626 335 HB3 LEU 42 HB3 LEU 42 -10.096 -5.798 23.263 336 HG LEU 42 HG LEU 42 -11.249 -5.911 21.189 337 HD11 LEU 42 HD11 LEU 42 -10.195 -4.154 19.851 338 HD12 LEU 42 HD12 LEU 42 -8.678 -4.386 20.719 339 HD13 LEU 42 HD13 LEU 42 -10.109 -3.803 21.575 340 HD21 LEU 42 HD21 LEU 42 -10.262 -6.542 19.041 341 HD22 LEU 42 HD22 LEU 42 -10.155 -7.869 20.195 342 HD23 LEU 42 HD23 LEU 42 -8.724 -6.904 19.829 343 H ARG 43 H ARG 43 -7.757 -4.331 24.347 344 HA ARG 43 HA ARG 43 -6.727 -5.531 26.656 345 HB2 ARG 43 HB2 ARG 43 -7.322 -3.509 27.816 346 HB3 ARG 43 HB3 ARG 43 -6.860 -3.047 26.185 347 HG2 ARG 43 HG2 ARG 43 -9.740 -3.335 27.121 348 HG3 ARG 43 HG3 ARG 43 -8.852 -1.814 27.107 349 HD2 ARG 43 HD2 ARG 43 -8.705 -1.843 24.696 350 HD3 ARG 43 HD3 ARG 43 -9.342 -3.487 24.625 351 HE ARG 43 HE ARG 43 -11.488 -2.654 25.332 352 HH11 ARG 43 HH11 ARG 43 -9.230 -0.166 24.308 353 HH12 ARG 43 HH12 ARG 43 -10.478 0.985 23.968 354 HH21 ARG 43 HH21 ARG 43 -13.103 -1.150 24.868 355 HH22 ARG 43 HH22 ARG 43 -12.677 0.426 24.287 356 H ASP 44 H ASP 44 -9.917 -5.647 25.330 357 HA ASP 44 HA ASP 44 -11.464 -6.232 27.639 358 HB2 ASP 44 HB2 ASP 44 -12.059 -7.077 24.763 359 HB3 ASP 44 HB3 ASP 44 -13.220 -6.866 26.071 360 H GLY 45 H GLY 45 -9.144 -8.058 25.956 361 HA2 GLY 45 HA2 GLY 45 -8.366 -10.194 26.593 362 HA3 GLY 45 HA3 GLY 45 -9.960 -10.607 27.201 363 H ARG 46 H ARG 46 -10.559 -9.093 24.375 364 HA ARG 46 HA ARG 46 -10.958 -11.630 22.959 365 HB2 ARG 46 HB2 ARG 46 -12.070 -8.845 22.416 366 HB3 ARG 46 HB3 ARG 46 -12.441 -10.272 21.458 367 HG2 ARG 46 HG2 ARG 46 -13.151 -9.811 24.375 368 HG3 ARG 46 HG3 ARG 46 -14.262 -9.863 22.998 369 HD2 ARG 46 HD2 ARG 46 -13.462 -12.257 22.605 370 HD3 ARG 46 HD3 ARG 46 -12.653 -12.150 24.176 371 HE ARG 46 HE ARG 46 -15.345 -11.439 24.507 372 HH11 ARG 46 HH11 ARG 46 -13.415 -14.316 23.890 373 HH12 ARG 46 HH12 ARG 46 -14.664 -15.401 24.406 374 HH21 ARG 46 HH21 ARG 46 -16.962 -12.879 25.150 375 HH22 ARG 46 HH22 ARG 46 -16.672 -14.589 25.102 376 H GLU 47 H GLU 47 -10.846 -11.391 20.518 377 HA GLU 47 HA GLU 47 -8.629 -9.878 19.470 378 HB2 GLU 47 HB2 GLU 47 -8.497 -12.925 19.630 379 HB3 GLU 47 HB3 GLU 47 -7.546 -11.984 18.486 380 HG2 GLU 47 HG2 GLU 47 -6.605 -10.740 20.521 381 HG3 GLU 47 HG3 GLU 47 -7.329 -12.011 21.503 382 H ASN 48 H ASN 48 -8.379 -10.240 17.153 383 HA ASN 48 HA ASN 48 -10.781 -11.194 15.706 384 HB2 ASN 48 HB2 ASN 48 -9.123 -8.723 14.974 385 HB3 ASN 48 HB3 ASN 48 -10.537 -9.323 14.115 386 HD21 ASN 48 HD21 ASN 48 -9.416 -7.667 16.958 387 HD22 ASN 48 HD22 ASN 48 -10.928 -6.982 17.410 388 H LEU 49 H LEU 49 -10.231 -11.918 13.512 389 HA LEU 49 HA LEU 49 -7.374 -12.444 12.998 390 HB2 LEU 49 HB2 LEU 49 -9.205 -14.442 13.618 391 HB3 LEU 49 HB3 LEU 49 -9.293 -14.442 11.875 392 HG LEU 49 HG LEU 49 -6.814 -14.909 13.554 393 HD11 LEU 49 HD11 LEU 49 -8.298 -16.817 13.567 394 HD12 LEU 49 HD12 LEU 49 -6.849 -17.183 12.635 395 HD13 LEU 49 HD13 LEU 49 -8.364 -16.816 11.803 396 HD21 LEU 49 HD21 LEU 49 -6.125 -13.727 11.552 397 HD22 LEU 49 HD22 LEU 49 -7.014 -14.866 10.535 398 HD23 LEU 49 HD23 LEU 49 -5.611 -15.412 11.460 399 H TYR 50 H TYR 50 -6.740 -12.105 10.936 400 HA TYR 50 HA TYR 50 -8.699 -11.238 8.897 401 HB2 TYR 50 HB2 TYR 50 -5.958 -9.938 9.312 402 HB3 TYR 50 HB3 TYR 50 -7.263 -9.386 8.258 403 HD1 TYR 50 HD1 TYR 50 -9.583 -8.904 9.536 404 HD2 TYR 50 HD2 TYR 50 -5.734 -8.846 11.398 405 HE1 TYR 50 HE1 TYR 50 -10.488 -7.567 11.374 406 HE2 TYR 50 HE2 TYR 50 -6.651 -7.496 13.225 407 HH TYR 50 HH TYR 50 -8.554 -5.945 13.577 408 H GLY 51 H GLY 51 -7.823 -11.426 6.702 409 HA2 GLY 51 HA2 GLY 51 -5.412 -13.013 6.263 410 HA3 GLY 51 HA3 GLY 51 -6.930 -13.808 5.840 411 HA PRO 52 HA PRO 52 -5.527 -10.896 2.309 412 HB2 PRO 52 HB2 PRO 52 -4.887 -12.835 0.443 413 HB3 PRO 52 HB3 PRO 52 -3.698 -12.097 1.524 414 HG2 PRO 52 HG2 PRO 52 -5.135 -14.732 1.802 415 HG3 PRO 52 HG3 PRO 52 -3.419 -14.361 2.079 416 HD2 PRO 52 HD2 PRO 52 -5.181 -14.579 4.130 417 HD3 PRO 52 HD3 PRO 52 -3.828 -13.426 4.186 418 H ALA 53 H ALA 53 -7.453 -10.205 1.595 419 HA ALA 53 HA ALA 53 -9.803 -11.763 1.247 420 HB1 ALA 53 HB1 ALA 53 -10.751 -9.693 0.246 421 HB2 ALA 53 HB2 ALA 53 -9.135 -8.976 0.212 422 HB3 ALA 53 HB3 ALA 53 -9.897 -9.363 1.755 423 HA PRO 54 HA PRO 54 -9.377 -13.073 -3.109 424 HB2 PRO 54 HB2 PRO 54 -12.270 -12.450 -3.546 425 HB3 PRO 54 HB3 PRO 54 -11.418 -13.994 -3.687 426 HG2 PRO 54 HG2 PRO 54 -13.101 -13.510 -1.638 427 HG3 PRO 54 HG3 PRO 54 -11.625 -14.475 -1.416 428 HD2 PRO 54 HD2 PRO 54 -12.112 -11.571 -0.723 429 HD3 PRO 54 HD3 PRO 54 -11.308 -12.836 0.237 430 H GLN 55 H GLN 55 -8.084 -11.117 -3.321 431 HA GLN 55 HA GLN 55 -9.137 -8.696 -4.481 432 HB2 GLN 55 HB2 GLN 55 -7.046 -8.663 -3.146 433 HB3 GLN 55 HB3 GLN 55 -6.294 -9.809 -4.248 434 HG2 GLN 55 HG2 GLN 55 -6.455 -8.066 -6.063 435 HG3 GLN 55 HG3 GLN 55 -7.040 -6.927 -4.847 436 HE21 GLN 55 HE21 GLN 55 -5.230 -5.553 -5.160 437 HE22 GLN 55 HE22 GLN 55 -3.650 -5.977 -4.601 438 H SER 56 H SER 56 -9.546 -8.403 -6.632 439 HA SER 56 HA SER 56 -9.291 -10.497 -8.548 440 HB2 SER 56 HB2 SER 56 -10.079 -8.665 -10.164 441 HB3 SER 56 HB3 SER 56 -11.142 -8.993 -8.796 442 HG SER 56 HG SER 56 -9.214 -6.907 -8.888 443 H PHE 57 H PHE 57 -7.065 -10.987 -8.474 444 HA PHE 57 HA PHE 57 -5.118 -9.064 -9.450 445 HB2 PHE 57 HB2 PHE 57 -3.515 -11.079 -9.294 446 HB3 PHE 57 HB3 PHE 57 -4.176 -10.453 -7.794 447 HD1 PHE 57 HD1 PHE 57 -4.590 -13.231 -10.291 448 HD2 PHE 57 HD2 PHE 57 -5.325 -11.880 -6.304 449 HE1 PHE 57 HE1 PHE 57 -5.334 -15.480 -9.655 450 HE2 PHE 57 HE2 PHE 57 -6.073 -14.129 -5.682 451 HZ PHE 57 HZ PHE 57 -6.081 -15.935 -7.355 452 H ALA 58 H ALA 58 -4.231 -8.998 -11.434 453 HA ALA 58 HA ALA 58 -5.576 -10.389 -13.627 454 HB1 ALA 58 HB1 ALA 58 -4.392 -8.763 -15.067 455 HB2 ALA 58 HB2 ALA 58 -3.513 -8.142 -13.666 456 HB3 ALA 58 HB3 ALA 58 -5.262 -7.941 -13.772 457 H ASP 59 H ASP 59 -4.680 -12.451 -13.010 458 HA ASP 59 HA ASP 59 -3.293 -14.219 -13.031 459 HB2 ASP 59 HB2 ASP 59 -3.139 -13.626 -15.466 460 HB3 ASP 59 HB3 ASP 59 -1.727 -12.633 -15.120 461 H ASP 60 H ASP 60 -2.982 -12.964 -10.892 462 HA ASP 60 HA ASP 60 -1.780 -12.676 -9.034 463 HB2 ASP 60 HB2 ASP 60 0.232 -14.289 -10.626 464 HB3 ASP 60 HB3 ASP 60 0.570 -13.773 -8.977 465 H GLU 61 H GLU 61 -1.401 -10.694 -11.401 466 HA GLU 61 HA GLU 61 1.049 -9.342 -10.915 467 HB2 GLU 61 HB2 GLU 61 -1.581 -8.488 -12.164 468 HB3 GLU 61 HB3 GLU 61 -0.278 -7.328 -11.927 469 HG2 GLU 61 HG2 GLU 61 -0.074 -9.876 -13.557 470 HG3 GLU 61 HG3 GLU 61 -0.326 -8.260 -14.215 471 H ASP 62 H ASP 62 -2.273 -8.653 -9.766 472 HA ASP 62 HA ASP 62 -1.617 -6.351 -8.270 473 HB2 ASP 62 HB2 ASP 62 -4.049 -8.163 -8.053 474 HB3 ASP 62 HB3 ASP 62 -3.915 -6.571 -7.304 475 H ILE 63 H ILE 63 -1.008 -9.575 -7.429 476 HA ILE 63 HA ILE 63 -1.221 -9.551 -4.610 477 HB ILE 63 HB ILE 63 0.802 -11.062 -6.344 478 HG12 ILE 63 HG12 ILE 63 -1.494 -11.548 -7.089 479 HG13 ILE 63 HG13 ILE 63 -0.817 -12.965 -6.296 480 HG21 ILE 63 HG21 ILE 63 -0.130 -11.696 -3.514 481 HG22 ILE 63 HG22 ILE 63 1.470 -11.119 -3.982 482 HG23 ILE 63 HG23 ILE 63 0.926 -12.715 -4.499 483 HD11 ILE 63 HD11 ILE 63 -2.815 -11.027 -5.136 484 HD12 ILE 63 HD12 ILE 63 -2.093 -12.380 -4.258 485 HD13 ILE 63 HD13 ILE 63 -3.110 -12.683 -5.666 486 H MET 64 H MET 64 1.203 -8.340 -6.830 487 HA MET 64 HA MET 64 2.955 -7.336 -4.645 488 HB2 MET 64 HB2 MET 64 3.697 -8.339 -7.432 489 HB3 MET 64 HB3 MET 64 4.836 -7.634 -6.290 490 HG2 MET 64 HG2 MET 64 4.705 -9.497 -4.841 491 HG3 MET 64 HG3 MET 64 3.233 -10.103 -5.605 492 HE1 MET 64 HE1 MET 64 3.128 -11.436 -7.822 493 HE2 MET 64 HE2 MET 64 4.474 -11.584 -8.953 494 HE3 MET 64 HE3 MET 64 3.730 -10.010 -8.672 495 H ARG 65 H ARG 65 1.516 -6.729 -7.785 496 HA ARG 65 HA ARG 65 2.841 -4.203 -8.279 497 HB2 ARG 65 HB2 ARG 65 0.668 -5.605 -9.899 498 HB3 ARG 65 HB3 ARG 65 1.642 -4.236 -10.433 499 HG2 ARG 65 HG2 ARG 65 2.670 -7.030 -9.839 500 HG3 ARG 65 HG3 ARG 65 2.391 -6.347 -11.443 501 HD2 ARG 65 HD2 ARG 65 4.446 -5.403 -9.407 502 HD3 ARG 65 HD3 ARG 65 4.780 -6.289 -10.896 503 HE ARG 65 HE ARG 65 4.355 -3.473 -10.607 504 HH11 ARG 65 HH11 ARG 65 3.821 -6.076 -12.927 505 HH12 ARG 65 HH12 ARG 65 3.967 -5.027 -14.298 506 HH21 ARG 65 HH21 ARG 65 4.509 -2.136 -12.422 507 HH22 ARG 65 HH22 ARG 65 4.342 -2.805 -14.013 508 H ALA 66 H ALA 66 0.031 -5.331 -6.766 509 HA ALA 66 HA ALA 66 -0.777 -2.561 -6.163 510 HB1 ALA 66 HB1 ALA 66 -2.523 -3.540 -7.627 511 HB2 ALA 66 HB2 ALA 66 -3.133 -3.291 -5.992 512 HB3 ALA 66 HB3 ALA 66 -2.688 -4.913 -6.530 513 H GLU 67 H GLU 67 -1.583 -2.374 -3.940 514 HA GLU 67 HA GLU 67 -0.309 -4.231 -2.121 515 HB2 GLU 67 HB2 GLU 67 -0.283 -1.778 -1.676 516 HB3 GLU 67 HB3 GLU 67 -2.033 -1.803 -1.456 517 HG2 GLU 67 HG2 GLU 67 -1.865 -3.148 0.515 518 HG3 GLU 67 HG3 GLU 67 -0.174 -3.528 0.208 519 H ARG 68 H ARG 68 -1.251 -6.035 -1.606 520 HA ARG 68 HA ARG 68 -3.868 -6.831 -2.178 521 HB2 ARG 68 HB2 ARG 68 -3.328 -8.862 -0.880 522 HB3 ARG 68 HB3 ARG 68 -1.979 -8.403 -1.914 523 HG2 ARG 68 HG2 ARG 68 -0.934 -7.295 0.141 524 HG3 ARG 68 HG3 ARG 68 -2.200 -8.070 1.097 525 HD2 ARG 68 HD2 ARG 68 -0.248 -9.451 1.233 526 HD3 ARG 68 HD3 ARG 68 -1.396 -10.293 0.188 527 HE ARG 68 HE ARG 68 0.120 -8.899 -1.587 528 HH11 ARG 68 HH11 ARG 68 0.919 -11.137 0.978 529 HH12 ARG 68 HH12 ARG 68 2.399 -11.636 0.246 530 HH21 ARG 68 HH21 ARG 68 2.094 -9.562 -2.537 531 HH22 ARG 68 HH22 ARG 68 3.080 -10.751 -1.742 532 H ARG 69 H ARG 69 -5.761 -6.755 -1.036 533 HA ARG 69 HA ARG 69 -5.781 -5.248 1.492 534 HB2 ARG 69 HB2 ARG 69 -7.002 -4.317 -0.499 535 HB3 ARG 69 HB3 ARG 69 -8.031 -5.746 -0.511 536 HG2 ARG 69 HG2 ARG 69 -8.994 -5.153 1.625 537 HG3 ARG 69 HG3 ARG 69 -7.827 -3.844 1.844 538 HD2 ARG 69 HD2 ARG 69 -8.791 -2.604 -0.014 539 HD3 ARG 69 HD3 ARG 69 -9.879 -3.946 -0.394 540 HE ARG 69 HE ARG 69 -10.481 -3.345 2.183 541 HH11 ARG 69 HH11 ARG 69 -10.311 -1.351 -0.699 542 HH12 ARG 69 HH12 ARG 69 -11.629 -0.340 -0.207 543 HH21 ARG 69 HH21 ARG 69 -12.188 -2.014 2.797 544 HH22 ARG 69 HH22 ARG 69 -12.682 -0.724 1.759 545 H PHE 70 H PHE 70 -7.146 -6.046 3.186 546 HA PHE 70 HA PHE 70 -7.107 -8.997 3.287 547 HB2 PHE 70 HB2 PHE 70 -6.963 -6.848 5.441 548 HB3 PHE 70 HB3 PHE 70 -7.237 -8.546 5.826 549 HD1 PHE 70 HD1 PHE 70 -4.900 -6.863 3.401 550 HD2 PHE 70 HD2 PHE 70 -5.326 -9.375 6.834 551 HE1 PHE 70 HE1 PHE 70 -2.479 -7.229 3.436 552 HE2 PHE 70 HE2 PHE 70 -2.902 -9.730 6.859 553 HZ PHE 70 HZ PHE 70 -1.481 -8.660 5.164 554 H GLU 71 H GLU 71 -8.703 -9.975 4.679 555 HA GLU 71 HA GLU 71 -11.345 -8.688 4.825 556 HB2 GLU 71 HB2 GLU 71 -12.338 -10.922 4.503 557 HB3 GLU 71 HB3 GLU 71 -11.357 -10.483 3.111 558 HG2 GLU 71 HG2 GLU 71 -9.604 -11.994 3.741 559 HG3 GLU 71 HG3 GLU 71 -10.310 -12.266 5.335 560 H THR 72 H THR 72 -12.643 -9.768 6.614 561 HA THR 72 HA THR 72 -10.914 -10.235 8.961 562 HB THR 72 HB THR 72 -13.824 -9.327 8.826 563 HG1 THR 72 HG1 THR 72 -11.861 -7.624 9.776 564 HG21 THR 72 HG21 THR 72 -11.907 -9.412 11.197 565 HG22 THR 72 HG22 THR 72 -13.289 -10.488 10.973 566 HG23 THR 72 HG23 THR 72 -13.546 -8.759 11.214 567 H ARG 73 H ARG 73 -10.593 -12.409 9.138 568 HA ARG 73 HA ARG 73 -12.398 -14.486 8.391 569 HB2 ARG 73 HB2 ARG 73 -9.884 -14.426 10.111 570 HB3 ARG 73 HB3 ARG 73 -10.794 -15.913 9.888 571 HG2 ARG 73 HG2 ARG 73 -9.523 -14.310 7.639 572 HG3 ARG 73 HG3 ARG 73 -8.809 -15.731 8.407 573 HD2 ARG 73 HD2 ARG 73 -11.018 -16.941 7.717 574 HD3 ARG 73 HD3 ARG 73 -11.248 -15.574 6.618 575 HE ARG 73 HE ARG 73 -8.820 -17.284 6.553 576 HH11 ARG 73 HH11 ARG 73 -11.487 -15.792 4.821 577 HH12 ARG 73 HH12 ARG 73 -10.940 -16.368 3.284 578 HH21 ARG 73 HH21 ARG 73 -8.151 -18.037 4.523 579 HH22 ARG 73 HH22 ARG 73 -9.065 -17.611 3.109 580 H LEU 74 H LEU 74 -11.296 -13.410 11.611 581 HA LEU 74 HA LEU 74 -13.913 -14.136 12.822 582 HB2 LEU 74 HB2 LEU 74 -11.131 -14.420 14.039 583 HB3 LEU 74 HB3 LEU 74 -12.636 -14.734 14.893 584 HG LEU 74 HG LEU 74 -11.735 -16.312 12.440 585 HD11 LEU 74 HD11 LEU 74 -11.093 -18.114 13.976 586 HD12 LEU 74 HD12 LEU 74 -11.430 -17.072 15.361 587 HD13 LEU 74 HD13 LEU 74 -10.126 -16.665 14.242 588 HD21 LEU 74 HD21 LEU 74 -13.451 -17.940 13.139 589 HD22 LEU 74 HD22 LEU 74 -14.166 -16.364 12.809 590 HD23 LEU 74 HD23 LEU 74 -13.920 -16.886 14.478 591 H ALA 75 H ALA 75 -14.459 -12.796 14.745 592 HA ALA 75 HA ALA 75 -12.869 -10.414 15.259 593 HB1 ALA 75 HB1 ALA 75 -14.593 -8.785 14.727 594 HB2 ALA 75 HB2 ALA 75 -15.695 -10.063 14.190 595 HB3 ALA 75 HB3 ALA 75 -14.212 -9.735 13.290 596 H GLY 76 H GLY 76 -13.015 -9.783 17.322 597 HA2 GLY 76 HA2 GLY 76 -13.690 -9.533 19.498 598 HA3 GLY 76 HA3 GLY 76 -15.338 -9.664 18.917 599 H VAL 77 H VAL 77 -12.943 -12.153 18.552 600 HA VAL 77 HA VAL 77 -14.542 -14.056 20.159 601 HB VAL 77 HB VAL 77 -13.392 -15.830 18.853 602 HG11 VAL 77 HG11 VAL 77 -14.393 -15.393 16.627 603 HG12 VAL 77 HG12 VAL 77 -14.602 -13.692 17.054 604 HG13 VAL 77 HG13 VAL 77 -15.491 -14.938 17.932 605 HG21 VAL 77 HG21 VAL 77 -11.224 -14.724 18.473 606 HG22 VAL 77 HG22 VAL 77 -11.985 -13.554 17.393 607 HG23 VAL 77 HG23 VAL 77 -11.911 -15.258 16.936 608 H GLU 78 H GLU 78 -12.863 -15.932 21.001 609 HA GLU 78 HA GLU 78 -10.829 -14.533 22.598 610 HB2 GLU 78 HB2 GLU 78 -10.663 -16.569 23.914 611 HB3 GLU 78 HB3 GLU 78 -12.352 -16.104 23.753 612 HG2 GLU 78 HG2 GLU 78 -12.706 -17.842 22.072 613 HG3 GLU 78 HG3 GLU 78 -10.996 -18.280 22.130 614 H GLY 79 H GLY 79 -8.698 -15.719 22.888 615 HA2 GLY 79 HA2 GLY 79 -7.285 -15.710 20.435 616 HA3 GLY 79 HA3 GLY 79 -6.648 -16.194 21.997 617 H GLU 80 H GLU 80 -8.701 -18.296 22.291 618 HA GLU 80 HA GLU 80 -7.425 -20.554 21.253 619 HB2 GLU 80 HB2 GLU 80 -8.988 -20.645 23.156 620 HB3 GLU 80 HB3 GLU 80 -10.328 -20.189 22.115 621 HG2 GLU 80 HG2 GLU 80 -10.424 -22.562 22.603 622 HG3 GLU 80 HG3 GLU 80 -10.111 -22.314 20.886 623 H GLU 81 H GLU 81 -10.248 -18.749 20.049 624 HA GLU 81 HA GLU 81 -10.914 -20.384 17.840 625 HB2 GLU 81 HB2 GLU 81 -11.366 -17.379 18.085 626 HB3 GLU 81 HB3 GLU 81 -12.268 -18.500 17.067 627 HG2 GLU 81 HG2 GLU 81 -12.262 -18.400 20.094 628 HG3 GLU 81 HG3 GLU 81 -13.568 -17.877 19.032 629 H ILE 82 H ILE 82 -8.730 -17.662 18.207 630 HA ILE 82 HA ILE 82 -8.187 -17.104 15.495 631 HB ILE 82 HB ILE 82 -6.329 -16.649 17.882 632 HG12 ILE 82 HG12 ILE 82 -8.556 -15.626 18.316 633 HG13 ILE 82 HG13 ILE 82 -7.329 -14.387 18.078 634 HG21 ILE 82 HG21 ILE 82 -5.230 -16.388 15.680 635 HG22 ILE 82 HG22 ILE 82 -5.337 -14.854 16.538 636 HG23 ILE 82 HG23 ILE 82 -6.445 -15.199 15.214 637 HD11 ILE 82 HD11 ILE 82 -9.389 -15.268 16.059 638 HD12 ILE 82 HD12 ILE 82 -8.138 -14.052 15.782 639 HD13 ILE 82 HD13 ILE 82 -9.386 -13.772 16.993 640 H ALA 83 H ALA 83 -6.274 -18.903 17.914 641 HA ALA 83 HA ALA 83 -4.306 -19.862 16.086 642 HB1 ALA 83 HB1 ALA 83 -3.838 -19.564 18.477 643 HB2 ALA 83 HB2 ALA 83 -3.520 -21.228 17.980 644 HB3 ALA 83 HB3 ALA 83 -4.990 -20.839 18.878 645 H ALA 84 H ALA 84 -7.448 -21.018 17.039 646 HA ALA 84 HA ALA 84 -7.240 -23.750 16.291 647 HB1 ALA 84 HB1 ALA 84 -9.712 -21.976 16.357 648 HB2 ALA 84 HB2 ALA 84 -9.072 -22.912 17.708 649 HB3 ALA 84 HB3 ALA 84 -9.702 -23.744 16.287 650 H LEU 85 H LEU 85 -8.162 -20.805 14.466 651 HA LEU 85 HA LEU 85 -8.624 -22.310 12.033 652 HB2 LEU 85 HB2 LEU 85 -9.850 -20.183 12.432 653 HB3 LEU 85 HB3 LEU 85 -8.329 -19.309 12.346 654 HG LEU 85 HG LEU 85 -8.269 -20.742 9.964 655 HD11 LEU 85 HD11 LEU 85 -11.158 -20.004 10.312 656 HD12 LEU 85 HD12 LEU 85 -10.470 -21.629 10.195 657 HD13 LEU 85 HD13 LEU 85 -10.373 -20.533 8.819 658 HD21 LEU 85 HD21 LEU 85 -9.260 -17.926 10.362 659 HD22 LEU 85 HD22 LEU 85 -8.787 -18.641 8.814 660 HD23 LEU 85 HD23 LEU 85 -7.596 -18.489 10.107 661 H LEU 86 H LEU 86 -6.026 -20.229 13.308 662 HA LEU 86 HA LEU 86 -4.326 -20.202 11.084 663 HB2 LEU 86 HB2 LEU 86 -3.609 -20.156 14.037 664 HB3 LEU 86 HB3 LEU 86 -2.469 -19.795 12.746 665 HG LEU 86 HG LEU 86 -5.003 -18.207 13.334 666 HD11 LEU 86 HD11 LEU 86 -2.120 -17.477 13.896 667 HD12 LEU 86 HD12 LEU 86 -3.361 -17.866 15.092 668 HD13 LEU 86 HD13 LEU 86 -3.518 -16.417 14.103 669 HD21 LEU 86 HD21 LEU 86 -4.466 -18.144 10.953 670 HD22 LEU 86 HD22 LEU 86 -2.807 -17.660 11.311 671 HD23 LEU 86 HD23 LEU 86 -4.148 -16.578 11.695 672 H GLU 87 H GLU 87 -4.860 -22.671 13.474 673 HA GLU 87 HA GLU 87 -2.932 -24.587 12.855 674 HB2 GLU 87 HB2 GLU 87 -4.295 -24.716 14.841 675 HB3 GLU 87 HB3 GLU 87 -5.781 -24.621 13.918 676 HG2 GLU 87 HG2 GLU 87 -5.682 -26.811 14.672 677 HG3 GLU 87 HG3 GLU 87 -5.203 -26.890 12.982 678 H ARG 88 H ARG 88 -6.133 -23.919 11.466 679 HA ARG 88 HA ARG 88 -6.223 -26.209 9.724 680 HB2 ARG 88 HB2 ARG 88 -7.928 -23.680 9.793 681 HB3 ARG 88 HB3 ARG 88 -8.325 -25.146 8.894 682 HG2 ARG 88 HG2 ARG 88 -8.638 -26.403 10.922 683 HG3 ARG 88 HG3 ARG 88 -7.968 -25.100 11.908 684 HD2 ARG 88 HD2 ARG 88 -10.419 -25.200 12.078 685 HD3 ARG 88 HD3 ARG 88 -9.882 -23.673 11.368 686 HE ARG 88 HE ARG 88 -10.544 -25.706 9.425 687 HH11 ARG 88 HH11 ARG 88 -11.880 -23.105 11.373 688 HH12 ARG 88 HH12 ARG 88 -13.237 -22.862 10.319 689 HH21 ARG 88 HH21 ARG 88 -12.323 -25.373 8.069 690 HH22 ARG 88 HH22 ARG 88 -13.495 -24.161 8.464 691 H GLU 89 H GLU 89 -5.772 -22.717 9.197 692 HA GLU 89 HA GLU 89 -5.636 -22.712 6.400 693 HB2 GLU 89 HB2 GLU 89 -4.658 -20.707 8.472 694 HB3 GLU 89 HB3 GLU 89 -4.661 -20.378 6.734 695 HG2 GLU 89 HG2 GLU 89 -7.102 -21.008 8.422 696 HG3 GLU 89 HG3 GLU 89 -6.595 -19.398 7.921 697 H ARG 90 H ARG 90 -3.121 -22.882 8.881 698 HA ARG 90 HA ARG 90 -0.887 -22.772 7.119 699 HB2 ARG 90 HB2 ARG 90 0.502 -23.340 8.931 700 HB3 ARG 90 HB3 ARG 90 -0.860 -22.526 9.692 701 HG2 ARG 90 HG2 ARG 90 -1.815 -24.701 10.339 702 HG3 ARG 90 HG3 ARG 90 -0.475 -25.532 9.549 703 HD2 ARG 90 HD2 ARG 90 1.064 -24.239 11.150 704 HD3 ARG 90 HD3 ARG 90 -0.405 -23.815 12.043 705 HE ARG 90 HE ARG 90 0.561 -26.582 11.566 706 HH11 ARG 90 HH11 ARG 90 -1.068 -24.274 13.638 707 HH12 ARG 90 HH12 ARG 90 -1.449 -25.455 14.849 708 HH21 ARG 90 HH21 ARG 90 0.077 -28.106 13.162 709 HH22 ARG 90 HH22 ARG 90 -0.808 -27.622 14.573 710 H ARG 91 H ARG 91 -3.009 -25.413 7.996 711 HA ARG 91 HA ARG 91 -1.453 -27.589 7.044 712 HB2 ARG 91 HB2 ARG 91 -3.383 -27.974 8.506 713 HB3 ARG 91 HB3 ARG 91 -4.470 -27.275 7.311 714 HG2 ARG 91 HG2 ARG 91 -3.908 -29.141 5.755 715 HG3 ARG 91 HG3 ARG 91 -2.914 -29.865 7.023 716 HD2 ARG 91 HD2 ARG 91 -4.951 -30.024 8.460 717 HD3 ARG 91 HD3 ARG 91 -5.909 -29.388 7.112 718 HE ARG 91 HE ARG 91 -4.581 -31.538 6.053 719 HH11 ARG 91 HH11 ARG 91 -6.771 -31.152 8.777 720 HH12 ARG 91 HH12 ARG 91 -7.414 -32.754 8.634 721 HH21 ARG 91 HH21 ARG 91 -5.413 -33.633 5.902 722 HH22 ARG 91 HH22 ARG 91 -6.627 -34.165 7.021 723 H PHE 92 H PHE 92 -3.934 -25.534 5.497 724 HA PHE 92 HA PHE 92 -3.844 -26.806 2.944 725 HB2 PHE 92 HB2 PHE 92 -4.835 -24.028 3.728 726 HB3 PHE 92 HB3 PHE 92 -5.103 -24.785 2.164 727 HD1 PHE 92 HD1 PHE 92 -6.441 -26.993 2.087 728 HD2 PHE 92 HD2 PHE 92 -6.337 -24.460 5.528 729 HE1 PHE 92 HE1 PHE 92 -8.488 -28.058 2.945 730 HE2 PHE 92 HE2 PHE 92 -8.383 -25.525 6.375 731 HZ PHE 92 HZ PHE 92 -9.461 -27.326 5.086 732 H ASP 93 H ASP 93 -2.183 -24.073 4.408 733 HA ASP 93 HA ASP 93 -0.086 -24.038 2.445 734 HB2 ASP 93 HB2 ASP 93 -2.084 -22.701 1.425 735 HB3 ASP 93 HB3 ASP 93 -1.759 -21.488 2.656 736 H SER 94 H SER 94 1.452 -24.121 4.007 737 HA SER 94 HA SER 94 1.331 -22.734 6.528 738 HB2 SER 94 HB2 SER 94 2.340 -24.998 6.276 739 HB3 SER 94 HB3 SER 94 3.625 -24.310 5.281 740 HG SER 94 HG SER 94 3.823 -24.629 7.763 741 H ASP 95 H ASP 95 2.151 -21.587 3.481 742 HA ASP 95 HA ASP 95 4.369 -19.872 4.290 743 HB2 ASP 95 HB2 ASP 95 2.859 -20.177 1.676 744 HB3 ASP 95 HB3 ASP 95 4.050 -18.901 1.920 745 H LEU 96 H LEU 96 1.420 -19.629 5.360 746 HA LEU 96 HA LEU 96 0.958 -16.811 4.914 747 HB2 LEU 96 HB2 LEU 96 -0.866 -16.916 6.422 748 HB3 LEU 96 HB3 LEU 96 -0.916 -18.413 5.514 749 HG LEU 96 HG LEU 96 0.202 -18.213 8.346 750 HD11 LEU 96 HD11 LEU 96 -1.904 -19.183 9.139 751 HD12 LEU 96 HD12 LEU 96 -2.574 -19.098 7.506 752 HD13 LEU 96 HD13 LEU 96 -2.170 -17.616 8.375 753 HD21 LEU 96 HD21 LEU 96 -0.037 -20.639 8.388 754 HD22 LEU 96 HD22 LEU 96 1.033 -20.133 7.083 755 HD23 LEU 96 HD23 LEU 96 -0.623 -20.629 6.721 756 H TRP 97 H TRP 97 1.254 -15.165 6.426 757 HA TRP 97 HA TRP 97 3.341 -15.560 8.482 758 HB2 TRP 97 HB2 TRP 97 2.430 -13.058 6.974 759 HB3 TRP 97 HB3 TRP 97 3.607 -13.045 8.282 760 HD1 TRP 97 HD1 TRP 97 3.332 -15.031 4.901 761 HE1 TRP 97 HE1 TRP 97 5.640 -14.961 3.787 762 HE3 TRP 97 HE3 TRP 97 5.839 -12.271 8.398 763 HZ2 TRP 97 HZ2 TRP 97 8.184 -13.867 4.300 764 HZ3 TRP 97 HZ3 TRP 97 8.212 -11.745 8.011 765 HH2 TRP 97 HH2 TRP 97 9.361 -12.528 5.999 766 H VAL 98 H VAL 98 2.633 -15.429 10.567 767 HA VAL 98 HA VAL 98 -0.001 -14.206 11.096 768 HB VAL 98 HB VAL 98 1.568 -16.157 12.831 769 HG11 VAL 98 HG11 VAL 98 0.299 -14.592 14.250 770 HG12 VAL 98 HG12 VAL 98 -0.461 -16.183 14.286 771 HG13 VAL 98 HG13 VAL 98 -1.166 -14.892 13.309 772 HG21 VAL 98 HG21 VAL 98 -0.301 -17.729 12.315 773 HG22 VAL 98 HG22 VAL 98 0.577 -17.253 10.860 774 HG23 VAL 98 HG23 VAL 98 -0.994 -16.531 11.218 775 H VAL 99 H VAL 99 0.019 -12.237 11.829 776 HA VAL 99 HA VAL 99 2.368 -11.206 13.350 777 HB VAL 99 HB VAL 99 0.310 -9.393 12.015 778 HG11 VAL 99 HG11 VAL 99 3.236 -8.956 12.700 779 HG12 VAL 99 HG12 VAL 99 1.851 -8.340 13.603 780 HG13 VAL 99 HG13 VAL 99 2.159 -7.764 11.962 781 HG21 VAL 99 HG21 VAL 99 2.762 -10.504 10.612 782 HG22 VAL 99 HG22 VAL 99 1.670 -9.271 9.977 783 HG23 VAL 99 HG23 VAL 99 1.086 -10.917 10.232 784 H GLU 100 H GLU 100 1.922 -11.089 15.509 785 HA GLU 100 HA GLU 100 -0.796 -10.681 16.462 786 HB2 GLU 100 HB2 GLU 100 0.243 -10.755 18.755 787 HB3 GLU 100 HB3 GLU 100 0.472 -12.216 17.807 788 HG2 GLU 100 HG2 GLU 100 2.784 -11.724 17.422 789 HG3 GLU 100 HG3 GLU 100 2.600 -10.073 18.014 790 H ILE 101 H ILE 101 -1.515 -8.700 16.083 791 HA ILE 101 HA ILE 101 0.069 -6.372 17.004 792 HB ILE 101 HB ILE 101 -1.320 -4.923 15.633 793 HG12 ILE 101 HG12 ILE 101 -2.893 -7.359 14.663 794 HG13 ILE 101 HG13 ILE 101 -3.493 -6.222 15.855 795 HG21 ILE 101 HG21 ILE 101 -0.428 -7.314 13.969 796 HG22 ILE 101 HG22 ILE 101 0.591 -5.979 14.493 797 HG23 ILE 101 HG23 ILE 101 -0.716 -5.682 13.354 798 HD11 ILE 101 HD11 ILE 101 -2.828 -5.598 12.987 799 HD12 ILE 101 HD12 ILE 101 -3.395 -4.428 14.183 800 HD13 ILE 101 HD13 ILE 101 -4.436 -5.765 13.692 801 H GLU 102 H GLU 102 -0.940 -4.899 18.453 802 HA GLU 102 HA GLU 102 -3.517 -5.750 19.637 803 HB2 GLU 102 HB2 GLU 102 -1.647 -6.181 21.250 804 HB3 GLU 102 HB3 GLU 102 -1.202 -4.474 21.180 805 HG2 GLU 102 HG2 GLU 102 -3.556 -3.933 21.995 806 HG3 GLU 102 HG3 GLU 102 -3.793 -5.662 22.240 807 H THR 103 H THR 103 -5.010 -4.287 19.366 808 HA THR 103 HA THR 103 -4.712 -1.478 19.668 809 HB THR 103 HB THR 103 -3.614 -1.581 17.439 810 HG1 THR 103 HG1 THR 103 -5.437 -0.267 16.313 811 HG21 THR 103 HG21 THR 103 -4.669 -3.630 16.547 812 HG22 THR 103 HG22 THR 103 -4.851 -2.284 15.423 813 HG23 THR 103 HG23 THR 103 -6.216 -2.787 16.420 814 H ASP 104 H ASP 104 -6.799 -0.368 19.142 815 HA ASP 104 HA ASP 104 -9.115 -2.195 19.317 816 HB2 ASP 104 HB2 ASP 104 -8.943 -0.480 21.119 817 HB3 ASP 104 HB3 ASP 104 -8.971 0.799 19.906 818 H GLU 105 H GLU 105 -7.707 0.479 17.454 819 HA GLU 105 HA GLU 105 -9.901 0.355 15.482 820 HB2 GLU 105 HB2 GLU 105 -8.848 2.489 14.565 821 HB3 GLU 105 HB3 GLU 105 -9.587 2.597 16.152 822 HG2 GLU 105 HG2 GLU 105 -7.288 2.399 17.163 823 HG3 GLU 105 HG3 GLU 105 -6.621 2.486 15.531 824 H ILE 106 H ILE 106 -9.612 -0.910 13.827 825 HA ILE 106 HA ILE 106 -6.954 -1.889 13.105 826 HB ILE 106 HB ILE 106 -8.760 -3.531 13.475 827 HG12 ILE 106 HG12 ILE 106 -8.453 -4.858 11.336 828 HG13 ILE 106 HG13 ILE 106 -7.676 -3.446 10.622 829 HG21 ILE 106 HG21 ILE 106 -10.640 -3.817 11.910 830 HG22 ILE 106 HG22 ILE 106 -10.162 -2.343 11.066 831 HG23 ILE 106 HG23 ILE 106 -10.713 -2.258 12.740 832 HD11 ILE 106 HD11 ILE 106 -6.713 -4.951 13.054 833 HD12 ILE 106 HD12 ILE 106 -5.912 -3.573 12.294 834 HD13 ILE 106 HD13 ILE 106 -6.074 -5.090 11.417 835 H GLY 107 H GLY 107 -9.578 0.065 11.736 836 HA2 GLY 107 HA2 GLY 107 -8.925 -0.245 8.983 837 HA3 GLY 107 HA3 GLY 107 -9.964 0.993 9.671 838 H THR 108 H THR 108 -7.451 1.700 11.385 839 HA THR 108 HA THR 108 -6.456 3.751 9.573 840 HB THR 108 HB THR 108 -7.104 4.323 11.903 841 HG1 THR 108 HG1 THR 108 -5.696 5.854 11.654 842 HG21 THR 108 HG21 THR 108 -4.678 2.694 12.745 843 HG22 THR 108 HG22 THR 108 -6.361 2.264 13.061 844 HG23 THR 108 HG23 THR 108 -5.665 3.708 13.800 845 H LEU 109 H LEU 109 -5.394 0.654 10.763 846 HA LEU 109 HA LEU 109 -2.591 1.184 9.953 847 HB2 LEU 109 HB2 LEU 109 -1.995 -0.491 11.847 848 HB3 LEU 109 HB3 LEU 109 -2.387 1.160 12.260 849 HG LEU 109 HG LEU 109 -4.827 0.198 12.682 850 HD11 LEU 109 HD11 LEU 109 -3.222 -2.332 13.085 851 HD12 LEU 109 HD12 LEU 109 -4.424 -2.059 11.819 852 HD13 LEU 109 HD13 LEU 109 -4.917 -2.073 13.513 853 HD21 LEU 109 HD21 LEU 109 -3.448 1.208 14.424 854 HD22 LEU 109 HD22 LEU 109 -2.578 -0.308 14.651 855 HD23 LEU 109 HD23 LEU 109 -4.296 -0.206 15.041 856 H LEU 110 H LEU 110 -5.284 -0.826 9.470 857 HA LEU 110 HA LEU 110 -3.813 -2.440 7.553 858 HB2 LEU 110 HB2 LEU 110 -3.692 -3.787 9.674 859 HB3 LEU 110 HB3 LEU 110 -5.446 -3.774 9.758 860 HG LEU 110 HG LEU 110 -5.517 -5.018 7.571 861 HD11 LEU 110 HD11 LEU 110 -3.376 -4.358 6.635 862 HD12 LEU 110 HD12 LEU 110 -3.505 -6.112 6.710 863 HD13 LEU 110 HD13 LEU 110 -2.521 -5.252 7.896 864 HD21 LEU 110 HD21 LEU 110 -4.922 -7.214 8.486 865 HD22 LEU 110 HD22 LEU 110 -5.741 -6.236 9.704 866 HD23 LEU 110 HD23 LEU 110 -3.988 -6.445 9.773 867 H THR 111 H THR 111 -5.109 -2.749 5.768 868 HA THR 111 HA THR 111 -7.766 -1.522 5.820 869 HB THR 111 HB THR 111 -6.268 -2.520 3.358 870 HG1 THR 111 HG1 THR 111 -5.926 -0.251 4.952 871 HG21 THR 111 HG21 THR 111 -8.434 -0.403 3.724 872 HG22 THR 111 HG22 THR 111 -8.694 -2.022 3.071 873 HG23 THR 111 HG23 THR 111 -7.687 -0.866 2.191 874 H LEU 112 H LEU 112 -9.654 -2.603 5.558 875 HA LEU 112 HA LEU 112 -9.642 -5.504 4.918 876 HB2 LEU 112 HB2 LEU 112 -11.361 -4.099 7.001 877 HB3 LEU 112 HB3 LEU 112 -11.437 -5.809 6.594 878 HG LEU 112 HG LEU 112 -8.918 -4.524 7.698 879 HD11 LEU 112 HD11 LEU 112 -10.656 -4.166 9.318 880 HD12 LEU 112 HD12 LEU 112 -9.503 -5.371 9.887 881 HD13 LEU 112 HD13 LEU 112 -11.082 -5.882 9.282 882 HD21 LEU 112 HD21 LEU 112 -9.767 -7.425 7.593 883 HD22 LEU 112 HD22 LEU 112 -8.253 -6.793 8.254 884 HD23 LEU 112 HD23 LEU 112 -8.589 -6.649 6.532 885 H VAL 113 H VAL 113 -11.295 -6.222 3.648 886 HA VAL 113 HA VAL 113 -12.933 -4.351 2.163 887 HB VAL 113 HB VAL 113 -13.735 -6.406 0.924 888 HG11 VAL 113 HG11 VAL 113 -11.755 -5.196 0.095 889 HG12 VAL 113 HG12 VAL 113 -11.622 -6.924 -0.229 890 HG13 VAL 113 HG13 VAL 113 -10.705 -6.201 1.096 891 HG21 VAL 113 HG21 VAL 113 -11.772 -7.927 2.690 892 HG22 VAL 113 HG22 VAL 113 -12.657 -8.596 1.316 893 HG23 VAL 113 HG23 VAL 113 -13.533 -8.069 2.758 894 H ASP 114 H ASP 114 -13.243 -6.332 4.967 895 HA ASP 114 HA ASP 114 -16.142 -6.702 4.717 896 HB2 ASP 114 HB2 ASP 114 -14.733 -8.662 5.296 897 HB3 ASP 114 HB3 ASP 114 -14.160 -7.831 6.743 898 H GLN 115 H GLN 115 -13.880 -5.666 7.308 899 HA GLN 115 HA GLN 115 -15.885 -4.419 8.926 900 HB2 GLN 115 HB2 GLN 115 -12.842 -4.357 8.978 901 HB3 GLN 115 HB3 GLN 115 -13.814 -3.507 10.172 902 HG2 GLN 115 HG2 GLN 115 -13.948 -6.494 9.690 903 HG3 GLN 115 HG3 GLN 115 -12.942 -5.735 10.917 904 HE21 GLN 115 HE21 GLN 115 -13.945 -4.770 12.726 905 HE22 GLN 115 HE22 GLN 115 -15.569 -5.161 13.177 906 HA PRO 116 HA PRO 116 -16.363 -0.076 7.711 907 HB2 PRO 116 HB2 PRO 116 -14.666 0.533 10.161 908 HB3 PRO 116 HB3 PRO 116 -16.106 1.381 9.565 909 HG2 PRO 116 HG2 PRO 116 -16.335 -0.383 11.546 910 HG3 PRO 116 HG3 PRO 116 -17.560 -0.330 10.260 911 HD2 PRO 116 HD2 PRO 116 -15.414 -2.360 10.747 912 HD3 PRO 116 HD3 PRO 116 -16.999 -2.559 9.970 913 H GLN 117 H GLN 117 -15.358 1.354 6.450 914 HA GLN 117 HA GLN 117 -12.956 0.622 5.154 915 HB2 GLN 117 HB2 GLN 117 -14.464 3.276 4.992 916 HB3 GLN 117 HB3 GLN 117 -13.358 2.633 3.780 917 HG2 GLN 117 HG2 GLN 117 -15.966 1.289 4.559 918 HG3 GLN 117 HG3 GLN 117 -15.817 2.438 3.231 919 HE21 GLN 117 HE21 GLN 117 -16.544 -0.439 3.270 920 HE22 GLN 117 HE22 GLN 117 -15.472 -1.180 2.142 921 H ALA 118 H ALA 118 -13.790 3.465 7.076 922 HA ALA 118 HA ALA 118 -11.210 3.770 8.302 923 HB1 ALA 118 HB1 ALA 118 -10.715 6.012 7.345 924 HB2 ALA 118 HB2 ALA 118 -12.091 5.856 6.249 925 HB3 ALA 118 HB3 ALA 118 -10.710 4.770 6.090 Start of MODEL 8 1 H MET 1 H MET 1 0.491 1.778 0.259 2 HA MET 1 HA MET 1 2.399 1.167 -1.007 3 HB2 MET 1 HB2 MET 1 3.680 -0.025 0.831 4 HB3 MET 1 HB3 MET 1 2.781 1.386 1.358 5 HG2 MET 1 HG2 MET 1 1.044 -0.043 2.314 6 HG3 MET 1 HG3 MET 1 1.881 -1.478 1.727 7 HE1 MET 1 HE1 MET 1 3.752 1.275 4.949 8 HE2 MET 1 HE2 MET 1 2.214 1.652 4.171 9 HE3 MET 1 HE3 MET 1 3.711 1.684 3.236 10 H ARG 2 H ARG 2 2.646 -0.052 -2.774 11 HA ARG 2 HA ARG 2 1.909 -2.856 -2.942 12 HB2 ARG 2 HB2 ARG 2 3.458 -1.173 -4.959 13 HB3 ARG 2 HB3 ARG 2 2.612 -2.691 -5.263 14 HG2 ARG 2 HG2 ARG 2 0.453 -1.521 -4.718 15 HG3 ARG 2 HG3 ARG 2 1.359 -0.012 -4.573 16 HD2 ARG 2 HD2 ARG 2 1.083 -1.718 -7.059 17 HD3 ARG 2 HD3 ARG 2 0.299 -0.169 -6.758 18 HE ARG 2 HE ARG 2 2.975 0.358 -6.562 19 HH11 ARG 2 HH11 ARG 2 0.920 -0.998 -9.093 20 HH12 ARG 2 HH12 ARG 2 1.947 -0.434 -10.373 21 HH21 ARG 2 HH21 ARG 2 4.287 1.071 -8.251 22 HH22 ARG 2 HH22 ARG 2 3.855 0.731 -9.896 23 H LEU 3 H LEU 3 3.194 -4.126 -1.706 24 HA LEU 3 HA LEU 3 6.023 -4.381 -2.290 25 HB2 LEU 3 HB2 LEU 3 6.429 -4.351 0.354 26 HB3 LEU 3 HB3 LEU 3 6.528 -2.892 -0.610 27 HG LEU 3 HG LEU 3 4.242 -2.241 0.121 28 HD11 LEU 3 HD11 LEU 3 3.251 -4.423 0.494 29 HD12 LEU 3 HD12 LEU 3 3.114 -3.425 1.939 30 HD13 LEU 3 HD13 LEU 3 4.329 -4.704 1.865 31 HD21 LEU 3 HD21 LEU 3 4.791 -1.620 2.411 32 HD22 LEU 3 HD22 LEU 3 6.223 -1.455 1.397 33 HD23 LEU 3 HD23 LEU 3 6.061 -2.843 2.477 34 H LYS 4 H LYS 4 6.975 -6.170 -0.768 35 HA LYS 4 HA LYS 4 5.446 -8.538 -1.308 36 HB2 LYS 4 HB2 LYS 4 7.407 -9.772 -0.783 37 HB3 LYS 4 HB3 LYS 4 7.994 -8.296 -1.537 38 HG2 LYS 4 HG2 LYS 4 8.561 -7.394 0.702 39 HG3 LYS 4 HG3 LYS 4 7.963 -8.883 1.440 40 HD2 LYS 4 HD2 LYS 4 10.374 -9.023 1.327 41 HD3 LYS 4 HD3 LYS 4 9.697 -10.174 0.172 42 HE2 LYS 4 HE2 LYS 4 11.567 -9.069 -0.875 43 HE3 LYS 4 HE3 LYS 4 10.098 -8.470 -1.647 44 HZ1 LYS 4 HZ1 LYS 4 10.235 -6.510 -0.173 45 HZ2 LYS 4 HZ2 LYS 4 11.566 -6.654 -1.199 46 HZ3 LYS 4 HZ3 LYS 4 11.710 -7.081 0.427 47 H SER 5 H SER 5 5.498 -10.314 0.479 48 HA SER 5 HA SER 5 3.539 -9.618 2.381 49 HB2 SER 5 HB2 SER 5 5.271 -12.128 2.235 50 HB3 SER 5 HB3 SER 5 3.700 -11.987 3.023 51 HG SER 5 HG SER 5 3.699 -12.896 0.839 52 H GLU 6 H GLU 6 6.982 -10.387 2.746 53 HA GLU 6 HA GLU 6 7.301 -10.175 5.519 54 HB2 GLU 6 HB2 GLU 6 8.991 -11.190 4.136 55 HB3 GLU 6 HB3 GLU 6 9.190 -9.738 3.175 56 HG2 GLU 6 HG2 GLU 6 9.857 -9.584 6.101 57 HG3 GLU 6 HG3 GLU 6 10.948 -10.493 5.061 58 H MET 7 H MET 7 7.665 -7.752 2.979 59 HA MET 7 HA MET 7 8.559 -5.639 4.688 60 HB2 MET 7 HB2 MET 7 9.149 -5.884 2.252 61 HB3 MET 7 HB3 MET 7 7.491 -5.485 1.835 62 HG2 MET 7 HG2 MET 7 8.888 -3.564 1.483 63 HG3 MET 7 HG3 MET 7 7.825 -3.231 2.846 64 HE1 MET 7 HE1 MET 7 8.803 -1.846 4.769 65 HE2 MET 7 HE2 MET 7 10.193 -2.424 5.689 66 HE3 MET 7 HE3 MET 7 8.781 -3.460 5.484 67 H PHE 8 H PHE 8 5.410 -6.794 3.640 68 HA PHE 8 HA PHE 8 3.909 -4.460 4.366 69 HB2 PHE 8 HB2 PHE 8 3.014 -6.282 2.833 70 HB3 PHE 8 HB3 PHE 8 2.845 -7.326 4.237 71 HD1 PHE 8 HD1 PHE 8 1.494 -4.376 2.485 72 HD2 PHE 8 HD2 PHE 8 1.085 -6.845 5.954 73 HE1 PHE 8 HE1 PHE 8 -0.683 -3.344 2.966 74 HE2 PHE 8 HE2 PHE 8 -1.097 -5.811 6.420 75 HZ PHE 8 HZ PHE 8 -1.984 -4.059 4.930 76 H VAL 9 H VAL 9 4.754 -7.509 6.016 77 HA VAL 9 HA VAL 9 3.348 -7.069 8.430 78 HB VAL 9 HB VAL 9 5.927 -8.682 8.062 79 HG11 VAL 9 HG11 VAL 9 3.931 -8.717 10.334 80 HG12 VAL 9 HG12 VAL 9 5.603 -8.164 10.405 81 HG13 VAL 9 HG13 VAL 9 5.251 -9.869 10.124 82 HG21 VAL 9 HG21 VAL 9 3.036 -9.616 8.039 83 HG22 VAL 9 HG22 VAL 9 4.464 -10.649 7.902 84 HG23 VAL 9 HG23 VAL 9 4.088 -9.491 6.629 85 H SER 10 H SER 10 6.724 -6.429 7.535 86 HA SER 10 HA SER 10 7.701 -5.294 9.865 87 HB2 SER 10 HB2 SER 10 9.093 -5.875 7.871 88 HB3 SER 10 HB3 SER 10 8.420 -4.497 7.005 89 HG SER 10 HG SER 10 10.274 -4.580 9.090 90 H ALA 11 H ALA 11 6.163 -3.678 7.089 91 HA ALA 11 HA ALA 11 6.123 -1.043 8.071 92 HB1 ALA 11 HB1 ALA 11 5.744 -1.604 5.707 93 HB2 ALA 11 HB2 ALA 11 4.415 -0.630 6.340 94 HB3 ALA 11 HB3 ALA 11 4.209 -2.369 6.122 95 H LEU 12 H LEU 12 3.885 -3.740 8.539 96 HA LEU 12 HA LEU 12 1.665 -2.286 9.552 97 HB2 LEU 12 HB2 LEU 12 1.875 -4.753 8.608 98 HB3 LEU 12 HB3 LEU 12 2.153 -5.185 10.282 99 HG LEU 12 HG LEU 12 -0.344 -3.742 9.299 100 HD11 LEU 12 HD11 LEU 12 0.009 -6.707 9.817 101 HD12 LEU 12 HD12 LEU 12 -0.233 -5.941 8.246 102 HD13 LEU 12 HD13 LEU 12 -1.518 -5.898 9.449 103 HD21 LEU 12 HD21 LEU 12 0.051 -3.411 11.698 104 HD22 LEU 12 HD22 LEU 12 0.140 -5.158 11.935 105 HD23 LEU 12 HD23 LEU 12 -1.376 -4.409 11.418 106 H ILE 13 H ILE 13 4.371 -3.975 11.141 107 HA ILE 13 HA ILE 13 3.702 -3.532 13.821 108 HB ILE 13 HB ILE 13 6.381 -3.923 12.430 109 HG12 ILE 13 HG12 ILE 13 6.529 -5.940 13.924 110 HG13 ILE 13 HG13 ILE 13 4.983 -5.516 14.638 111 HG21 ILE 13 HG21 ILE 13 6.967 -2.315 14.164 112 HG22 ILE 13 HG22 ILE 13 7.583 -3.906 14.612 113 HG23 ILE 13 HG23 ILE 13 6.127 -3.273 15.389 114 HD11 ILE 13 HD11 ILE 13 5.463 -6.327 11.788 115 HD12 ILE 13 HD12 ILE 13 3.898 -5.920 12.498 116 HD13 ILE 13 HD13 ILE 13 4.791 -7.327 13.073 117 H ARG 14 H ARG 14 5.463 -1.442 11.529 118 HA ARG 14 HA ARG 14 5.962 0.725 13.316 119 HB2 ARG 14 HB2 ARG 14 6.008 0.495 10.290 120 HB3 ARG 14 HB3 ARG 14 6.183 2.065 11.051 121 HG2 ARG 14 HG2 ARG 14 8.375 1.192 10.498 122 HG3 ARG 14 HG3 ARG 14 8.199 1.278 12.251 123 HD2 ARG 14 HD2 ARG 14 7.824 -1.126 12.368 124 HD3 ARG 14 HD3 ARG 14 7.848 -1.240 10.611 125 HE ARG 14 HE ARG 14 10.225 -0.498 10.740 126 HH11 ARG 14 HH11 ARG 14 8.824 -2.019 13.588 127 HH12 ARG 14 HH12 ARG 14 10.318 -2.764 14.063 128 HH21 ARG 14 HH21 ARG 14 12.172 -1.476 11.392 129 HH22 ARG 14 HH22 ARG 14 12.211 -2.453 12.827 130 H ARG 15 H ARG 15 3.233 -0.087 11.221 131 HA ARG 15 HA ARG 15 1.851 2.358 11.208 132 HB2 ARG 15 HB2 ARG 15 0.799 -0.491 10.973 133 HB3 ARG 15 HB3 ARG 15 -0.223 0.927 10.765 134 HG2 ARG 15 HG2 ARG 15 1.160 1.620 8.824 135 HG3 ARG 15 HG3 ARG 15 2.150 0.178 9.020 136 HD2 ARG 15 HD2 ARG 15 0.180 -1.255 8.610 137 HD3 ARG 15 HD3 ARG 15 -0.840 0.178 8.450 138 HE ARG 15 HE ARG 15 1.386 -0.451 6.586 139 HH11 ARG 15 HH11 ARG 15 -1.902 0.711 7.093 140 HH12 ARG 15 HH12 ARG 15 -2.241 0.828 5.397 141 HH21 ARG 15 HH21 ARG 15 0.892 -0.318 4.368 142 HH22 ARG 15 HH22 ARG 15 -0.675 0.228 3.857 143 H VAL 16 H VAL 16 1.686 -0.407 13.478 144 HA VAL 16 HA VAL 16 -0.516 0.686 14.965 145 HB VAL 16 HB VAL 16 -0.368 -1.157 16.471 146 HG11 VAL 16 HG11 VAL 16 -0.393 -3.123 15.013 147 HG12 VAL 16 HG12 VAL 16 0.440 -2.220 13.742 148 HG13 VAL 16 HG13 VAL 16 -1.185 -1.757 14.231 149 HG21 VAL 16 HG21 VAL 16 1.494 -2.717 16.617 150 HG22 VAL 16 HG22 VAL 16 2.043 -1.077 16.962 151 HG23 VAL 16 HG23 VAL 16 2.386 -1.808 15.393 152 H PHE 17 H PHE 17 3.019 0.692 15.397 153 HA PHE 17 HA PHE 17 3.014 1.926 17.977 154 HB2 PHE 17 HB2 PHE 17 5.169 1.577 15.865 155 HB3 PHE 17 HB3 PHE 17 5.472 2.524 17.316 156 HD1 PHE 17 HD2 PHE 17 5.237 1.391 19.596 157 HD2 PHE 17 HD1 PHE 17 5.338 -0.823 15.950 158 HE1 PHE 17 HE2 PHE 17 5.797 -0.654 20.840 159 HE2 PHE 17 HE1 PHE 17 5.885 -2.868 17.203 160 HZ PHE 17 HZ PHE 17 6.116 -2.784 19.649 161 H ALA 18 H ALA 18 2.844 3.173 14.696 162 HA ALA 18 HA ALA 18 3.168 5.950 15.272 163 HB1 ALA 18 HB1 ALA 18 1.615 4.633 13.014 164 HB2 ALA 18 HB2 ALA 18 3.322 5.070 12.974 165 HB3 ALA 18 HB3 ALA 18 2.095 6.334 13.076 166 H ALA 19 H ALA 19 0.462 3.719 15.482 167 HA ALA 19 HA ALA 19 -1.524 5.718 16.194 168 HB1 ALA 19 HB1 ALA 19 -2.167 3.668 14.998 169 HB2 ALA 19 HB2 ALA 19 -3.004 3.781 16.544 170 HB3 ALA 19 HB3 ALA 19 -1.632 2.683 16.360 171 H GLY 20 H GLY 20 0.773 3.663 17.852 172 HA2 GLY 20 HA2 GLY 20 1.482 4.412 20.093 173 HA3 GLY 20 HA3 GLY 20 -0.217 4.531 20.527 174 H GLY 21 H GLY 21 -0.452 1.917 18.792 175 HA2 GLY 21 HA2 GLY 21 -0.492 0.110 21.039 176 HA3 GLY 21 HA3 GLY 21 -0.978 -0.236 19.389 177 H PHE 22 H PHE 22 0.112 -2.313 20.148 178 HA PHE 22 HA PHE 22 3.064 -2.284 19.749 179 HB2 PHE 22 HB2 PHE 22 2.449 -2.800 22.122 180 HB3 PHE 22 HB3 PHE 22 1.456 -4.146 21.579 181 HD1 PHE 22 HD1 PHE 22 4.965 -2.906 21.845 182 HD2 PHE 22 HD2 PHE 22 2.477 -6.290 21.085 183 HE1 PHE 22 HE1 PHE 22 6.928 -4.386 21.954 184 HE2 PHE 22 HE2 PHE 22 4.441 -7.765 21.197 185 HZ PHE 22 HZ PHE 22 6.671 -6.811 21.632 186 H ALA 23 H ALA 23 3.923 -4.119 18.642 187 HA ALA 23 HA ALA 23 2.231 -6.227 17.649 188 HB1 ALA 23 HB1 ALA 23 1.744 -4.528 15.949 189 HB2 ALA 23 HB2 ALA 23 2.685 -5.845 15.247 190 HB3 ALA 23 HB3 ALA 23 3.468 -4.311 15.643 191 H ALA 24 H ALA 24 3.473 -7.834 16.343 192 HA ALA 24 HA ALA 24 6.317 -7.793 16.195 193 HB1 ALA 24 HB1 ALA 24 6.865 -9.493 17.899 194 HB2 ALA 24 HB2 ALA 24 5.190 -9.491 18.460 195 HB3 ALA 24 HB3 ALA 24 6.185 -8.046 18.648 196 H VAL 25 H VAL 25 7.077 -9.474 14.941 197 HA VAL 25 HA VAL 25 5.128 -11.098 13.537 198 HB VAL 25 HB VAL 25 8.143 -11.377 13.197 199 HG11 VAL 25 HG11 VAL 25 6.759 -13.044 12.054 200 HG12 VAL 25 HG12 VAL 25 7.571 -11.994 10.892 201 HG13 VAL 25 HG13 VAL 25 5.858 -11.758 11.243 202 HG21 VAL 25 HG21 VAL 25 8.047 -9.617 11.432 203 HG22 VAL 25 HG22 VAL 25 7.793 -8.998 13.061 204 HG23 VAL 25 HG23 VAL 25 6.420 -9.206 11.982 205 H GLU 26 H GLU 26 4.339 -12.792 14.672 206 HA GLU 26 HA GLU 26 5.869 -14.397 16.496 207 HB2 GLU 26 HB2 GLU 26 3.079 -14.827 15.343 208 HB3 GLU 26 HB3 GLU 26 3.786 -15.759 16.665 209 HG2 GLU 26 HG2 GLU 26 3.196 -12.780 16.699 210 HG3 GLU 26 HG3 GLU 26 2.242 -14.036 17.492 211 H LYS 27 H LYS 27 4.129 -15.335 13.508 212 HA LYS 27 HA LYS 27 6.083 -17.507 13.032 213 HB2 LYS 27 HB2 LYS 27 3.761 -18.265 13.153 214 HB3 LYS 27 HB3 LYS 27 3.255 -17.045 11.996 215 HG2 LYS 27 HG2 LYS 27 4.488 -18.185 10.210 216 HG3 LYS 27 HG3 LYS 27 5.071 -19.383 11.366 217 HD2 LYS 27 HD2 LYS 27 2.781 -20.190 11.731 218 HD3 LYS 27 HD3 LYS 27 2.134 -18.942 10.660 219 HE2 LYS 27 HE2 LYS 27 2.247 -21.132 9.538 220 HE3 LYS 27 HE3 LYS 27 3.297 -19.956 8.751 221 HZ1 LYS 27 HZ1 LYS 27 4.413 -22.048 8.941 222 HZ2 LYS 27 HZ2 LYS 27 4.132 -22.115 10.604 223 HZ3 LYS 27 HZ3 LYS 27 5.176 -20.945 9.972 224 H LYS 28 H LYS 28 7.103 -17.685 11.029 225 HA LYS 28 HA LYS 28 6.933 -15.414 9.147 226 HB2 LYS 28 HB2 LYS 28 8.850 -14.995 10.633 227 HB3 LYS 28 HB3 LYS 28 9.483 -16.611 10.337 228 HG2 LYS 28 HG2 LYS 28 9.994 -16.061 8.029 229 HG3 LYS 28 HG3 LYS 28 9.172 -14.506 8.173 230 HD2 LYS 28 HD2 LYS 28 10.877 -13.769 9.828 231 HD3 LYS 28 HD3 LYS 28 11.709 -15.317 9.652 232 HE2 LYS 28 HE2 LYS 28 12.124 -14.805 7.259 233 HE3 LYS 28 HE3 LYS 28 11.295 -13.259 7.448 234 HZ1 LYS 28 HZ1 LYS 28 13.694 -13.027 7.547 235 HZ2 LYS 28 HZ2 LYS 28 13.764 -14.071 8.880 236 HZ3 LYS 28 HZ3 LYS 28 12.979 -12.580 9.015 237 H GLY 29 H GLY 29 6.676 -16.102 7.112 238 HA2 GLY 29 HA2 GLY 29 7.580 -18.831 6.317 239 HA3 GLY 29 HA3 GLY 29 6.048 -18.135 5.806 240 H ALA 30 H ALA 30 6.215 -17.761 3.663 241 HA ALA 30 HA ALA 30 8.727 -17.136 2.376 242 HB1 ALA 30 HB1 ALA 30 7.439 -17.235 0.277 243 HB2 ALA 30 HB2 ALA 30 5.931 -17.332 1.189 244 HB3 ALA 30 HB3 ALA 30 7.110 -18.638 1.293 245 H GLU 31 H GLU 31 9.420 -15.184 1.667 246 HA GLU 31 HA GLU 31 8.328 -12.893 2.965 247 HB2 GLU 31 HB2 GLU 31 10.617 -13.074 0.971 248 HB3 GLU 31 HB3 GLU 31 10.250 -11.680 1.989 249 HG2 GLU 31 HG2 GLU 31 10.622 -13.152 4.001 250 HG3 GLU 31 HG3 GLU 31 11.171 -14.422 2.908 251 H ALA 32 H ALA 32 8.521 -13.864 -0.455 252 HA ALA 32 HA ALA 32 6.912 -11.552 -1.297 253 HB1 ALA 32 HB1 ALA 32 7.392 -12.304 -3.589 254 HB2 ALA 32 HB2 ALA 32 8.185 -13.753 -2.962 255 HB3 ALA 32 HB3 ALA 32 8.881 -12.163 -2.650 256 H ALA 33 H ALA 33 6.788 -15.111 -1.416 257 HA ALA 33 HA ALA 33 4.224 -15.144 -2.776 258 HB1 ALA 33 HB1 ALA 33 5.990 -17.437 -1.855 259 HB2 ALA 33 HB2 ALA 33 6.044 -16.660 -3.438 260 HB3 ALA 33 HB3 ALA 33 4.608 -17.562 -2.952 261 H GLY 34 H GLY 34 5.057 -14.970 0.465 262 HA2 GLY 34 HA2 GLY 34 3.393 -17.011 1.611 263 HA3 GLY 34 HA3 GLY 34 4.219 -15.723 2.468 264 H ALA 35 H ALA 35 1.560 -16.779 2.889 265 HA ALA 35 HA ALA 35 -0.253 -14.543 2.371 266 HB1 ALA 35 HB1 ALA 35 -1.864 -15.940 3.668 267 HB2 ALA 35 HB2 ALA 35 -0.576 -17.109 3.988 268 HB3 ALA 35 HB3 ALA 35 -1.136 -16.841 2.335 269 H ILE 36 H ILE 36 -1.240 -13.355 4.259 270 HA ILE 36 HA ILE 36 0.528 -13.234 6.652 271 HB ILE 36 HB ILE 36 -0.828 -10.809 5.391 272 HG12 ILE 36 HG12 ILE 36 0.997 -11.528 3.901 273 HG13 ILE 36 HG13 ILE 36 1.442 -10.031 4.715 274 HG21 ILE 36 HG21 ILE 36 0.556 -9.490 6.989 275 HG22 ILE 36 HG22 ILE 36 1.157 -10.994 7.692 276 HG23 ILE 36 HG23 ILE 36 -0.554 -10.586 7.814 277 HD11 ILE 36 HD11 ILE 36 2.749 -11.441 6.344 278 HD12 ILE 36 HD12 ILE 36 3.348 -11.407 4.696 279 HD13 ILE 36 HD13 ILE 36 2.455 -12.811 5.272 280 H PHE 37 H PHE 37 -0.548 -13.563 8.480 281 HA PHE 37 HA PHE 37 -3.432 -13.051 8.694 282 HB2 PHE 37 HB2 PHE 37 -1.896 -15.532 9.590 283 HB3 PHE 37 HB3 PHE 37 -3.490 -15.123 10.221 284 HD1 PHE 37 HD1 PHE 37 -1.634 -16.144 7.182 285 HD2 PHE 37 HD2 PHE 37 -5.486 -15.399 8.884 286 HE1 PHE 37 HE1 PHE 37 -2.699 -17.169 5.220 287 HE2 PHE 37 HE2 PHE 37 -6.536 -16.430 6.914 288 HZ PHE 37 HZ PHE 37 -5.152 -17.313 5.082 289 H VAL 38 H VAL 38 -3.730 -11.540 10.150 290 HA VAL 38 HA VAL 38 -1.727 -11.068 12.287 291 HB VAL 38 HB VAL 38 -3.745 -9.082 11.117 292 HG11 VAL 38 HG11 VAL 38 -1.318 -8.622 12.891 293 HG12 VAL 38 HG12 VAL 38 -3.005 -8.514 13.394 294 HG13 VAL 38 HG13 VAL 38 -2.361 -7.361 12.225 295 HG21 VAL 38 HG21 VAL 38 -0.788 -9.349 10.442 296 HG22 VAL 38 HG22 VAL 38 -1.872 -8.082 9.865 297 HG23 VAL 38 HG23 VAL 38 -2.132 -9.754 9.370 298 H ARG 39 H ARG 39 -2.428 -11.249 14.374 299 HA ARG 39 HA ARG 39 -5.302 -11.627 14.930 300 HB2 ARG 39 HB2 ARG 39 -4.632 -12.827 16.936 301 HB3 ARG 39 HB3 ARG 39 -3.758 -13.498 15.562 302 HG2 ARG 39 HG2 ARG 39 -1.756 -12.152 16.247 303 HG3 ARG 39 HG3 ARG 39 -2.648 -11.624 17.673 304 HD2 ARG 39 HD2 ARG 39 -1.677 -14.409 16.996 305 HD3 ARG 39 HD3 ARG 39 -1.261 -13.422 18.396 306 HE ARG 39 HE ARG 39 -3.396 -15.252 18.168 307 HH11 ARG 39 HH11 ARG 39 -2.866 -12.069 19.615 308 HH12 ARG 39 HH12 ARG 39 -4.011 -12.354 20.883 309 HH21 ARG 39 HH21 ARG 39 -4.845 -15.586 19.819 310 HH22 ARG 39 HH22 ARG 39 -5.145 -14.341 20.996 311 H GLN 40 H GLN 40 -6.199 -10.514 16.698 312 HA GLN 40 HA GLN 40 -4.914 -7.943 17.413 313 HB2 GLN 40 HB2 GLN 40 -6.316 -7.460 15.549 314 HB3 GLN 40 HB3 GLN 40 -7.579 -8.532 16.100 315 HG2 GLN 40 HG2 GLN 40 -8.390 -6.320 16.297 316 HG3 GLN 40 HG3 GLN 40 -8.089 -6.898 17.929 317 HE21 GLN 40 HE21 GLN 40 -8.288 -4.169 16.785 318 HE22 GLN 40 HE22 GLN 40 -6.856 -3.366 17.304 319 H ARG 41 H ARG 41 -5.540 -7.087 19.421 320 HA ARG 41 HA ARG 41 -7.292 -8.777 21.129 321 HB2 ARG 41 HB2 ARG 41 -4.821 -9.020 21.647 322 HB3 ARG 41 HB3 ARG 41 -4.791 -7.313 22.080 323 HG2 ARG 41 HG2 ARG 41 -6.459 -7.747 23.866 324 HG3 ARG 41 HG3 ARG 41 -6.486 -9.454 23.417 325 HD2 ARG 41 HD2 ARG 41 -3.988 -9.497 23.936 326 HD3 ARG 41 HD3 ARG 41 -4.200 -7.889 24.640 327 HE ARG 41 HE ARG 41 -6.032 -9.139 26.020 328 HH11 ARG 41 HH11 ARG 41 -2.851 -10.391 25.186 329 HH12 ARG 41 HH12 ARG 41 -2.792 -11.454 26.555 330 HH21 ARG 41 HH21 ARG 41 -5.929 -10.525 27.801 331 HH22 ARG 41 HH22 ARG 41 -4.533 -11.525 28.047 332 H LEU 42 H LEU 42 -8.992 -7.678 21.825 333 HA LEU 42 HA LEU 42 -9.010 -4.723 21.812 334 HB2 LEU 42 HB2 LEU 42 -11.334 -6.700 21.825 335 HB3 LEU 42 HB3 LEU 42 -11.516 -4.958 21.871 336 HG LEU 42 HG LEU 42 -11.998 -5.590 19.644 337 HD11 LEU 42 HD11 LEU 42 -10.308 -4.489 18.280 338 HD12 LEU 42 HD12 LEU 42 -9.138 -4.599 19.597 339 HD13 LEU 42 HD13 LEU 42 -10.587 -3.605 19.779 340 HD21 LEU 42 HD21 LEU 42 -10.610 -7.008 18.213 341 HD22 LEU 42 HD22 LEU 42 -11.113 -7.875 19.663 342 HD23 LEU 42 HD23 LEU 42 -9.463 -7.256 19.534 343 H ARG 43 H ARG 43 -9.758 -3.554 23.542 344 HA ARG 43 HA ARG 43 -9.421 -4.181 26.185 345 HB2 ARG 43 HB2 ARG 43 -10.774 -2.225 26.742 346 HB3 ARG 43 HB3 ARG 43 -9.772 -1.882 25.342 347 HG2 ARG 43 HG2 ARG 43 -12.697 -2.674 25.080 348 HG3 ARG 43 HG3 ARG 43 -12.189 -1.002 25.309 349 HD2 ARG 43 HD2 ARG 43 -10.975 -1.017 23.217 350 HD3 ARG 43 HD3 ARG 43 -11.231 -2.750 23.023 351 HE ARG 43 HE ARG 43 -13.728 -2.037 22.975 352 HH11 ARG 43 HH11 ARG 43 -11.130 -0.134 21.595 353 HH12 ARG 43 HH12 ARG 43 -12.060 0.353 20.221 354 HH21 ARG 43 HH21 ARG 43 -14.946 -1.372 21.179 355 HH22 ARG 43 HH22 ARG 43 -14.230 -0.334 19.987 356 H ASP 44 H ASP 44 -12.139 -5.065 24.205 357 HA ASP 44 HA ASP 44 -14.134 -5.472 26.200 358 HB2 ASP 44 HB2 ASP 44 -13.929 -6.740 23.427 359 HB3 ASP 44 HB3 ASP 44 -15.388 -6.628 24.413 360 H GLY 45 H GLY 45 -11.335 -7.254 25.526 361 HA2 GLY 45 HA2 GLY 45 -10.583 -9.283 26.375 362 HA3 GLY 45 HA3 GLY 45 -12.196 -9.622 26.997 363 H ARG 46 H ARG 46 -12.072 -8.553 23.768 364 HA ARG 46 HA ARG 46 -12.478 -11.289 22.717 365 HB2 ARG 46 HB2 ARG 46 -13.475 -8.631 21.608 366 HB3 ARG 46 HB3 ARG 46 -13.715 -10.195 20.843 367 HG2 ARG 46 HG2 ARG 46 -14.868 -9.279 23.499 368 HG3 ARG 46 HG3 ARG 46 -15.747 -9.532 21.988 369 HD2 ARG 46 HD2 ARG 46 -15.062 -11.963 22.100 370 HD3 ARG 46 HD3 ARG 46 -14.413 -11.644 23.717 371 HE ARG 46 HE ARG 46 -17.116 -10.781 23.537 372 HH11 ARG 46 HH11 ARG 46 -15.234 -13.746 23.878 373 HH12 ARG 46 HH12 ARG 46 -16.564 -14.628 24.555 374 HH21 ARG 46 HH21 ARG 46 -18.821 -11.962 24.412 375 HH22 ARG 46 HH22 ARG 46 -18.587 -13.620 24.872 376 H GLU 47 H GLU 47 -11.820 -11.494 20.397 377 HA GLU 47 HA GLU 47 -9.322 -10.095 19.764 378 HB2 GLU 47 HB2 GLU 47 -9.593 -13.074 20.365 379 HB3 GLU 47 HB3 GLU 47 -8.268 -12.449 19.385 380 HG2 GLU 47 HG2 GLU 47 -7.295 -11.290 21.170 381 HG3 GLU 47 HG3 GLU 47 -8.777 -11.274 22.122 382 H ASN 48 H ASN 48 -8.736 -10.216 17.613 383 HA ASN 48 HA ASN 48 -10.716 -11.373 15.721 384 HB2 ASN 48 HB2 ASN 48 -9.245 -8.717 15.578 385 HB3 ASN 48 HB3 ASN 48 -9.879 -9.473 14.130 386 HD21 ASN 48 HD21 ASN 48 -11.485 -9.378 17.305 387 HD22 ASN 48 HD22 ASN 48 -12.791 -8.382 16.795 388 H LEU 49 H LEU 49 -9.769 -11.674 13.532 389 HA LEU 49 HA LEU 49 -6.915 -12.227 13.352 390 HB2 LEU 49 HB2 LEU 49 -8.603 -14.348 13.866 391 HB3 LEU 49 HB3 LEU 49 -8.684 -14.325 12.126 392 HG LEU 49 HG LEU 49 -6.140 -14.625 13.762 393 HD11 LEU 49 HD11 LEU 49 -7.664 -16.696 12.179 394 HD12 LEU 49 HD12 LEU 49 -7.499 -16.618 13.932 395 HD13 LEU 49 HD13 LEU 49 -6.086 -16.945 12.933 396 HD21 LEU 49 HD21 LEU 49 -5.590 -13.534 11.671 397 HD22 LEU 49 HD22 LEU 49 -6.506 -14.732 10.756 398 HD23 LEU 49 HD23 LEU 49 -5.032 -15.203 11.610 399 H TYR 50 H TYR 50 -6.199 -11.893 11.249 400 HA TYR 50 HA TYR 50 -8.144 -10.937 9.244 401 HB2 TYR 50 HB2 TYR 50 -5.421 -9.670 9.831 402 HB3 TYR 50 HB3 TYR 50 -6.643 -9.079 8.700 403 HD1 TYR 50 HD1 TYR 50 -9.020 -8.578 9.764 404 HD2 TYR 50 HD2 TYR 50 -5.404 -8.737 12.025 405 HE1 TYR 50 HE1 TYR 50 -10.096 -7.328 11.575 406 HE2 TYR 50 HE2 TYR 50 -6.480 -7.465 13.814 407 HH TYR 50 HH TYR 50 -9.880 -6.905 13.893 408 H GLY 51 H GLY 51 -7.386 -11.120 7.044 409 HA2 GLY 51 HA2 GLY 51 -5.072 -12.846 6.510 410 HA3 GLY 51 HA3 GLY 51 -6.663 -13.477 6.084 411 HA PRO 52 HA PRO 52 -5.027 -10.601 2.645 412 HB2 PRO 52 HB2 PRO 52 -4.258 -12.465 0.780 413 HB3 PRO 52 HB3 PRO 52 -3.151 -11.821 1.999 414 HG2 PRO 52 HG2 PRO 52 -4.656 -14.426 1.983 415 HG3 PRO 52 HG3 PRO 52 -2.973 -14.111 2.458 416 HD2 PRO 52 HD2 PRO 52 -5.003 -14.392 4.275 417 HD3 PRO 52 HD3 PRO 52 -3.578 -13.374 4.575 418 H ALA 53 H ALA 53 -6.960 -9.866 1.903 419 HA ALA 53 HA ALA 53 -9.246 -11.520 1.493 420 HB1 ALA 53 HB1 ALA 53 -9.452 -9.203 2.257 421 HB2 ALA 53 HB2 ALA 53 -10.358 -9.434 0.761 422 HB3 ALA 53 HB3 ALA 53 -8.793 -8.613 0.735 423 HA PRO 54 HA PRO 54 -8.401 -12.753 -2.700 424 HB2 PRO 54 HB2 PRO 54 -10.781 -13.831 -3.414 425 HB3 PRO 54 HB3 PRO 54 -9.774 -14.550 -2.152 426 HG2 PRO 54 HG2 PRO 54 -12.215 -12.817 -1.874 427 HG3 PRO 54 HG3 PRO 54 -11.750 -14.262 -0.951 428 HD2 PRO 54 HD2 PRO 54 -11.355 -11.648 -0.084 429 HD3 PRO 54 HD3 PRO 54 -10.433 -13.048 0.500 430 H GLN 55 H GLN 55 -7.986 -10.667 -3.523 431 HA GLN 55 HA GLN 55 -9.952 -8.880 -4.549 432 HB2 GLN 55 HB2 GLN 55 -8.054 -7.678 -5.528 433 HB3 GLN 55 HB3 GLN 55 -7.653 -8.188 -3.889 434 HG2 GLN 55 HG2 GLN 55 -6.435 -10.163 -4.918 435 HG3 GLN 55 HG3 GLN 55 -6.678 -9.406 -6.493 436 HE21 GLN 55 HE21 GLN 55 -5.683 -7.331 -6.858 437 HE22 GLN 55 HE22 GLN 55 -4.249 -6.897 -5.993 438 H SER 56 H SER 56 -10.282 -8.333 -6.843 439 HA SER 56 HA SER 56 -10.486 -10.688 -8.565 440 HB2 SER 56 HB2 SER 56 -11.411 -7.817 -9.047 441 HB3 SER 56 HB3 SER 56 -11.840 -9.228 -10.023 442 HG SER 56 HG SER 56 -12.366 -9.183 -7.246 443 H PHE 57 H PHE 57 -8.034 -10.717 -8.454 444 HA PHE 57 HA PHE 57 -6.517 -8.773 -9.926 445 HB2 PHE 57 HB2 PHE 57 -4.580 -10.289 -9.556 446 HB3 PHE 57 HB3 PHE 57 -5.445 -9.930 -8.072 447 HD1 PHE 57 HD1 PHE 57 -4.601 -12.582 -10.509 448 HD2 PHE 57 HD2 PHE 57 -6.637 -11.681 -6.859 449 HE1 PHE 57 HE1 PHE 57 -4.762 -14.984 -9.997 450 HE2 PHE 57 HE2 PHE 57 -6.801 -14.083 -6.360 451 HZ PHE 57 HZ PHE 57 -5.866 -15.739 -7.927 452 H ALA 58 H ALA 58 -5.412 -9.060 -11.860 453 HA ALA 58 HA ALA 58 -6.418 -11.159 -13.694 454 HB1 ALA 58 HB1 ALA 58 -6.381 -9.472 -15.498 455 HB2 ALA 58 HB2 ALA 58 -5.886 -8.231 -14.342 456 HB3 ALA 58 HB3 ALA 58 -7.470 -8.990 -14.196 457 H ASP 59 H ASP 59 -4.860 -12.312 -14.627 458 HA ASP 59 HA ASP 59 -2.904 -13.113 -15.397 459 HB2 ASP 59 HB2 ASP 59 -3.071 -10.983 -16.777 460 HB3 ASP 59 HB3 ASP 59 -2.009 -10.202 -15.613 461 H ASP 60 H ASP 60 -3.253 -12.422 -12.471 462 HA ASP 60 HA ASP 60 -2.193 -12.650 -10.490 463 HB2 ASP 60 HB2 ASP 60 -1.189 -14.669 -11.600 464 HB3 ASP 60 HB3 ASP 60 0.161 -13.691 -12.136 465 H GLU 61 H GLU 61 -1.749 -10.232 -12.374 466 HA GLU 61 HA GLU 61 0.749 -9.045 -11.658 467 HB2 GLU 61 HB2 GLU 61 -1.807 -7.858 -12.827 468 HB3 GLU 61 HB3 GLU 61 -0.311 -6.947 -12.628 469 HG2 GLU 61 HG2 GLU 61 -0.690 -9.394 -14.380 470 HG3 GLU 61 HG3 GLU 61 -0.618 -7.723 -14.939 471 H ASP 62 H ASP 62 -2.623 -8.308 -10.757 472 HA ASP 62 HA ASP 62 -2.092 -6.109 -9.115 473 HB2 ASP 62 HB2 ASP 62 -4.499 -7.956 -9.048 474 HB3 ASP 62 HB3 ASP 62 -4.431 -6.337 -8.354 475 H ILE 63 H ILE 63 -1.738 -9.428 -8.363 476 HA ILE 63 HA ILE 63 -2.079 -9.779 -5.662 477 HB ILE 63 HB ILE 63 0.241 -10.752 -7.411 478 HG12 ILE 63 HG12 ILE 63 -1.980 -11.384 -8.300 479 HG13 ILE 63 HG13 ILE 63 -1.088 -12.798 -7.754 480 HG21 ILE 63 HG21 ILE 63 0.508 -12.635 -5.835 481 HG22 ILE 63 HG22 ILE 63 -0.689 -11.908 -4.757 482 HG23 ILE 63 HG23 ILE 63 0.842 -11.083 -5.062 483 HD11 ILE 63 HD11 ILE 63 -3.308 -11.428 -6.248 484 HD12 ILE 63 HD12 ILE 63 -2.429 -12.868 -5.723 485 HD13 ILE 63 HD13 ILE 63 -3.431 -12.923 -7.171 486 H MET 64 H MET 64 0.686 -8.253 -7.296 487 HA MET 64 HA MET 64 1.545 -6.957 -4.786 488 HB2 MET 64 HB2 MET 64 3.974 -7.263 -5.786 489 HB3 MET 64 HB3 MET 64 3.217 -8.571 -4.892 490 HG2 MET 64 HG2 MET 64 4.350 -9.409 -6.872 491 HG3 MET 64 HG3 MET 64 2.614 -9.692 -6.970 492 HE1 MET 64 HE1 MET 64 3.166 -9.150 -10.728 493 HE2 MET 64 HE2 MET 64 2.272 -10.038 -9.491 494 HE3 MET 64 HE3 MET 64 4.033 -10.170 -9.580 495 H ARG 65 H ARG 65 1.004 -6.720 -8.225 496 HA ARG 65 HA ARG 65 2.155 -4.105 -8.604 497 HB2 ARG 65 HB2 ARG 65 0.026 -5.486 -10.290 498 HB3 ARG 65 HB3 ARG 65 0.924 -4.044 -10.758 499 HG2 ARG 65 HG2 ARG 65 2.098 -6.807 -10.313 500 HG3 ARG 65 HG3 ARG 65 1.755 -6.068 -11.877 501 HD2 ARG 65 HD2 ARG 65 3.740 -4.967 -9.852 502 HD3 ARG 65 HD3 ARG 65 4.170 -5.984 -11.226 503 HE ARG 65 HE ARG 65 3.548 -3.176 -11.253 504 HH11 ARG 65 HH11 ARG 65 3.464 -6.046 -13.306 505 HH12 ARG 65 HH12 ARG 65 3.718 -5.140 -14.762 506 HH21 ARG 65 HH21 ARG 65 3.893 -2.027 -13.167 507 HH22 ARG 65 HH22 ARG 65 3.956 -2.868 -14.684 508 H ALA 66 H ALA 66 -0.513 -5.126 -6.876 509 HA ALA 66 HA ALA 66 -1.351 -2.326 -6.497 510 HB1 ALA 66 HB1 ALA 66 -3.725 -3.016 -6.306 511 HB2 ALA 66 HB2 ALA 66 -3.293 -4.670 -6.751 512 HB3 ALA 66 HB3 ALA 66 -3.097 -3.363 -7.918 513 H GLU 67 H GLU 67 -1.846 -1.863 -4.282 514 HA GLU 67 HA GLU 67 -0.869 -3.607 -2.260 515 HB2 GLU 67 HB2 GLU 67 -0.954 -1.175 -1.863 516 HB3 GLU 67 HB3 GLU 67 -2.713 -1.188 -1.978 517 HG2 GLU 67 HG2 GLU 67 -2.777 -2.694 0.039 518 HG3 GLU 67 HG3 GLU 67 -1.027 -2.527 0.169 519 H ARG 68 H ARG 68 -1.862 -5.580 -2.399 520 HA ARG 68 HA ARG 68 -4.543 -6.287 -2.368 521 HB2 ARG 68 HB2 ARG 68 -3.706 -8.363 -1.082 522 HB3 ARG 68 HB3 ARG 68 -2.935 -8.024 -2.630 523 HG2 ARG 68 HG2 ARG 68 -1.056 -6.924 -1.387 524 HG3 ARG 68 HG3 ARG 68 -1.802 -7.446 0.125 525 HD2 ARG 68 HD2 ARG 68 -1.394 -9.750 -0.352 526 HD3 ARG 68 HD3 ARG 68 -1.035 -9.414 -2.054 527 HE ARG 68 HE ARG 68 0.849 -7.977 -0.886 528 HH11 ARG 68 HH11 ARG 68 -0.079 -11.281 -0.100 529 HH12 ARG 68 HH12 ARG 68 1.543 -11.748 0.295 530 HH21 ARG 68 HH21 ARG 68 2.908 -8.604 -0.382 531 HH22 ARG 68 HH22 ARG 68 3.225 -10.234 0.112 532 H ARG 69 H ARG 69 -6.134 -5.767 -1.008 533 HA ARG 69 HA ARG 69 -5.645 -4.656 1.625 534 HB2 ARG 69 HB2 ARG 69 -7.324 -3.765 -0.080 535 HB3 ARG 69 HB3 ARG 69 -8.283 -5.218 0.196 536 HG2 ARG 69 HG2 ARG 69 -8.843 -4.570 2.405 537 HG3 ARG 69 HG3 ARG 69 -7.554 -3.366 2.476 538 HD2 ARG 69 HD2 ARG 69 -10.012 -3.166 0.685 539 HD3 ARG 69 HD3 ARG 69 -9.804 -2.338 2.236 540 HE ARG 69 HE ARG 69 -7.670 -1.830 0.363 541 HH11 ARG 69 HH11 ARG 69 -10.850 -0.721 1.359 542 HH12 ARG 69 HH12 ARG 69 -10.617 0.873 0.722 543 HH21 ARG 69 HH21 ARG 69 -7.397 0.254 -0.468 544 HH22 ARG 69 HH22 ARG 69 -8.672 1.420 -0.324 545 H PHE 70 H PHE 70 -6.779 -5.547 3.505 546 HA PHE 70 HA PHE 70 -6.697 -8.496 3.492 547 HB2 PHE 70 HB2 PHE 70 -6.228 -6.383 5.624 548 HB3 PHE 70 HB3 PHE 70 -6.666 -8.025 6.095 549 HD1 PHE 70 HD1 PHE 70 -4.399 -6.683 3.411 550 HD2 PHE 70 HD2 PHE 70 -4.764 -9.099 6.918 551 HE1 PHE 70 HE1 PHE 70 -2.063 -7.410 3.158 552 HE2 PHE 70 HE2 PHE 70 -2.429 -9.811 6.662 553 HZ PHE 70 HZ PHE 70 -1.080 -8.972 4.779 554 H GLU 71 H GLU 71 -8.134 -9.441 5.186 555 HA GLU 71 HA GLU 71 -10.818 -8.249 5.361 556 HB2 GLU 71 HB2 GLU 71 -11.795 -10.496 5.009 557 HB3 GLU 71 HB3 GLU 71 -10.889 -9.981 3.590 558 HG2 GLU 71 HG2 GLU 71 -9.076 -11.467 4.078 559 HG3 GLU 71 HG3 GLU 71 -9.689 -11.811 5.695 560 H THR 72 H THR 72 -12.038 -9.374 7.139 561 HA THR 72 HA THR 72 -10.281 -10.043 9.374 562 HB THR 72 HB THR 72 -13.243 -9.324 9.416 563 HG1 THR 72 HG1 THR 72 -11.898 -7.623 8.678 564 HG21 THR 72 HG21 THR 72 -12.517 -10.578 11.430 565 HG22 THR 72 HG22 THR 72 -12.884 -8.895 11.811 566 HG23 THR 72 HG23 THR 72 -11.205 -9.419 11.674 567 H ARG 73 H ARG 73 -9.861 -12.200 9.354 568 HA ARG 73 HA ARG 73 -11.521 -14.270 8.357 569 HB2 ARG 73 HB2 ARG 73 -9.095 -14.220 10.189 570 HB3 ARG 73 HB3 ARG 73 -9.922 -15.734 9.846 571 HG2 ARG 73 HG2 ARG 73 -8.638 -13.929 7.764 572 HG3 ARG 73 HG3 ARG 73 -7.929 -15.401 8.434 573 HD2 ARG 73 HD2 ARG 73 -10.139 -16.548 7.588 574 HD3 ARG 73 HD3 ARG 73 -10.280 -15.118 6.555 575 HE ARG 73 HE ARG 73 -7.893 -16.882 6.547 576 HH11 ARG 73 HH11 ARG 73 -10.427 -15.270 4.741 577 HH12 ARG 73 HH12 ARG 73 -9.759 -15.724 3.208 578 HH21 ARG 73 HH21 ARG 73 -7.067 -17.489 4.547 579 HH22 ARG 73 HH22 ARG 73 -7.871 -16.985 3.092 580 H LEU 74 H LEU 74 -10.711 -13.385 11.731 581 HA LEU 74 HA LEU 74 -13.344 -14.435 12.642 582 HB2 LEU 74 HB2 LEU 74 -10.651 -14.618 14.053 583 HB3 LEU 74 HB3 LEU 74 -12.186 -15.115 14.753 584 HG LEU 74 HG LEU 74 -10.999 -16.385 12.248 585 HD11 LEU 74 HD11 LEU 74 -10.840 -17.396 15.104 586 HD12 LEU 74 HD12 LEU 74 -9.496 -16.798 14.125 587 HD13 LEU 74 HD13 LEU 74 -10.330 -18.277 13.659 588 HD21 LEU 74 HD21 LEU 74 -13.266 -17.308 14.059 589 HD22 LEU 74 HD22 LEU 74 -12.639 -18.181 12.658 590 HD23 LEU 74 HD23 LEU 74 -13.444 -16.631 12.436 591 H ALA 75 H ALA 75 -14.269 -13.303 14.455 592 HA ALA 75 HA ALA 75 -13.042 -10.870 15.450 593 HB1 ALA 75 HB1 ALA 75 -15.566 -10.688 13.754 594 HB2 ALA 75 HB2 ALA 75 -13.972 -10.084 13.304 595 HB3 ALA 75 HB3 ALA 75 -14.832 -9.362 14.662 596 H GLY 76 H GLY 76 -13.844 -10.294 17.415 597 HA2 GLY 76 HA2 GLY 76 -15.018 -10.368 19.380 598 HA3 GLY 76 HA3 GLY 76 -16.410 -10.905 18.457 599 H VAL 77 H VAL 77 -13.393 -12.640 18.470 600 HA VAL 77 HA VAL 77 -14.691 -14.947 19.807 601 HB VAL 77 HB VAL 77 -13.148 -16.390 18.525 602 HG11 VAL 77 HG11 VAL 77 -14.085 -16.073 16.250 603 HG12 VAL 77 HG12 VAL 77 -14.666 -14.473 16.717 604 HG13 VAL 77 HG13 VAL 77 -15.323 -15.913 17.499 605 HG21 VAL 77 HG21 VAL 77 -11.218 -14.882 18.301 606 HG22 VAL 77 HG22 VAL 77 -12.132 -13.837 17.213 607 HG23 VAL 77 HG23 VAL 77 -11.708 -15.475 16.712 608 H GLU 78 H GLU 78 -12.543 -16.498 20.427 609 HA GLU 78 HA GLU 78 -10.852 -14.859 22.235 610 HB2 GLU 78 HB2 GLU 78 -10.655 -16.853 23.648 611 HB3 GLU 78 HB3 GLU 78 -12.353 -16.460 23.393 612 HG2 GLU 78 HG2 GLU 78 -12.436 -18.226 21.618 613 HG3 GLU 78 HG3 GLU 78 -10.781 -18.667 22.025 614 H GLY 79 H GLY 79 -8.697 -15.964 22.717 615 HA2 GLY 79 HA2 GLY 79 -7.108 -16.088 20.396 616 HA3 GLY 79 HA3 GLY 79 -6.593 -16.507 22.018 617 H GLU 80 H GLU 80 -8.758 -18.604 22.128 618 HA GLU 80 HA GLU 80 -7.269 -20.840 21.194 619 HB2 GLU 80 HB2 GLU 80 -8.927 -20.816 23.131 620 HB3 GLU 80 HB3 GLU 80 -10.222 -20.808 21.944 621 HG2 GLU 80 HG2 GLU 80 -9.888 -23.054 22.762 622 HG3 GLU 80 HG3 GLU 80 -9.420 -22.978 21.063 623 H GLU 81 H GLU 81 -10.088 -19.072 19.941 624 HA GLU 81 HA GLU 81 -10.569 -20.734 17.665 625 HB2 GLU 81 HB2 GLU 81 -11.294 -17.785 17.905 626 HB3 GLU 81 HB3 GLU 81 -12.051 -18.997 16.872 627 HG2 GLU 81 HG2 GLU 81 -12.205 -18.798 19.885 628 HG3 GLU 81 HG3 GLU 81 -13.494 -18.468 18.736 629 H ILE 82 H ILE 82 -8.629 -17.857 18.269 630 HA ILE 82 HA ILE 82 -7.860 -17.188 15.657 631 HB ILE 82 HB ILE 82 -6.212 -16.854 18.210 632 HG12 ILE 82 HG12 ILE 82 -8.391 -15.760 18.486 633 HG13 ILE 82 HG13 ILE 82 -7.155 -14.527 18.280 634 HG21 ILE 82 HG21 ILE 82 -5.974 -15.388 15.554 635 HG22 ILE 82 HG22 ILE 82 -4.830 -16.563 16.202 636 HG23 ILE 82 HG23 ILE 82 -5.056 -15.020 17.021 637 HD11 ILE 82 HD11 ILE 82 -9.140 -13.933 17.075 638 HD12 ILE 82 HD12 ILE 82 -9.127 -15.462 16.199 639 HD13 ILE 82 HD13 ILE 82 -7.847 -14.275 15.929 640 H ALA 83 H ALA 83 -6.091 -19.142 18.077 641 HA ALA 83 HA ALA 83 -4.021 -20.017 16.345 642 HB1 ALA 83 HB1 ALA 83 -3.455 -21.597 18.144 643 HB2 ALA 83 HB2 ALA 83 -4.996 -21.261 18.936 644 HB3 ALA 83 HB3 ALA 83 -3.784 -19.987 18.792 645 H ALA 84 H ALA 84 -7.238 -21.260 17.031 646 HA ALA 84 HA ALA 84 -7.015 -23.858 15.958 647 HB1 ALA 84 HB1 ALA 84 -9.463 -22.062 16.007 648 HB2 ALA 84 HB2 ALA 84 -8.941 -23.138 17.303 649 HB3 ALA 84 HB3 ALA 84 -9.460 -23.811 15.757 650 H LEU 85 H LEU 85 -7.828 -20.737 14.430 651 HA LEU 85 HA LEU 85 -8.227 -21.950 11.828 652 HB2 LEU 85 HB2 LEU 85 -9.507 -19.925 12.548 653 HB3 LEU 85 HB3 LEU 85 -8.020 -18.995 12.490 654 HG LEU 85 HG LEU 85 -8.270 -20.358 9.952 655 HD11 LEU 85 HD11 LEU 85 -10.598 -20.655 10.350 656 HD12 LEU 85 HD12 LEU 85 -10.339 -19.492 9.052 657 HD13 LEU 85 HD13 LEU 85 -10.816 -18.928 10.658 658 HD21 LEU 85 HD21 LEU 85 -8.320 -18.079 9.006 659 HD22 LEU 85 HD22 LEU 85 -7.029 -18.340 10.181 660 HD23 LEU 85 HD23 LEU 85 -8.479 -17.426 10.643 661 H LEU 86 H LEU 86 -5.661 -20.061 13.420 662 HA LEU 86 HA LEU 86 -3.877 -19.766 11.290 663 HB2 LEU 86 HB2 LEU 86 -3.262 -20.220 14.234 664 HB3 LEU 86 HB3 LEU 86 -2.054 -19.751 13.045 665 HG LEU 86 HG LEU 86 -4.476 -18.086 13.838 666 HD11 LEU 86 HD11 LEU 86 -1.552 -17.655 14.509 667 HD12 LEU 86 HD12 LEU 86 -2.816 -18.164 15.632 668 HD13 LEU 86 HD13 LEU 86 -2.883 -16.562 14.903 669 HD21 LEU 86 HD21 LEU 86 -3.897 -17.680 11.502 670 HD22 LEU 86 HD22 LEU 86 -2.211 -17.397 11.939 671 HD23 LEU 86 HD23 LEU 86 -3.468 -16.286 12.489 672 H GLU 87 H GLU 87 -4.625 -22.543 13.264 673 HA GLU 87 HA GLU 87 -2.644 -24.364 12.338 674 HB2 GLU 87 HB2 GLU 87 -3.657 -24.953 14.378 675 HB3 GLU 87 HB3 GLU 87 -5.260 -24.496 13.837 676 HG2 GLU 87 HG2 GLU 87 -5.306 -26.817 14.094 677 HG3 GLU 87 HG3 GLU 87 -5.255 -26.517 12.364 678 H ARG 88 H ARG 88 -5.966 -23.585 11.336 679 HA ARG 88 HA ARG 88 -6.243 -25.643 9.383 680 HB2 ARG 88 HB2 ARG 88 -7.759 -23.041 9.812 681 HB3 ARG 88 HB3 ARG 88 -8.254 -24.281 8.662 682 HG2 ARG 88 HG2 ARG 88 -8.584 -25.887 10.474 683 HG3 ARG 88 HG3 ARG 88 -7.975 -24.723 11.653 684 HD2 ARG 88 HD2 ARG 88 -10.427 -24.835 11.702 685 HD3 ARG 88 HD3 ARG 88 -9.878 -23.234 11.187 686 HE ARG 88 HE ARG 88 -10.499 -25.144 9.072 687 HH11 ARG 88 HH11 ARG 88 -11.688 -22.463 10.990 688 HH12 ARG 88 HH12 ARG 88 -12.933 -22.050 9.866 689 HH21 ARG 88 HH21 ARG 88 -12.139 -24.608 7.605 690 HH22 ARG 88 HH22 ARG 88 -13.187 -23.268 7.933 691 H GLU 89 H GLU 89 -5.227 -22.268 9.201 692 HA GLU 89 HA GLU 89 -5.244 -22.111 6.336 693 HB2 GLU 89 HB2 GLU 89 -4.098 -20.202 8.414 694 HB3 GLU 89 HB3 GLU 89 -4.218 -19.857 6.687 695 HG2 GLU 89 HG2 GLU 89 -6.520 -20.359 8.585 696 HG3 GLU 89 HG3 GLU 89 -6.000 -18.790 7.981 697 H ARG 90 H ARG 90 -2.782 -22.535 8.876 698 HA ARG 90 HA ARG 90 -0.506 -22.448 7.168 699 HB2 ARG 90 HB2 ARG 90 0.818 -23.411 8.929 700 HB3 ARG 90 HB3 ARG 90 -0.338 -22.304 9.663 701 HG2 ARG 90 HG2 ARG 90 -1.728 -24.185 10.375 702 HG3 ARG 90 HG3 ARG 90 -0.644 -25.325 9.579 703 HD2 ARG 90 HD2 ARG 90 1.162 -24.712 11.112 704 HD3 ARG 90 HD3 ARG 90 0.133 -23.486 11.865 705 HE ARG 90 HE ARG 90 -0.960 -26.172 11.963 706 HH11 ARG 90 HH11 ARG 90 1.036 -23.824 13.645 707 HH12 ARG 90 HH12 ARG 90 0.899 -24.624 15.178 708 HH21 ARG 90 HH21 ARG 90 -1.089 -27.245 13.974 709 HH22 ARG 90 HH22 ARG 90 -0.285 -26.564 15.353 710 H ARG 91 H ARG 91 -2.770 -25.006 7.843 711 HA ARG 91 HA ARG 91 -1.370 -27.217 6.805 712 HB2 ARG 91 HB2 ARG 91 -3.432 -27.314 8.181 713 HB3 ARG 91 HB3 ARG 91 -4.364 -26.661 6.849 714 HG2 ARG 91 HG2 ARG 91 -2.890 -29.298 6.577 715 HG3 ARG 91 HG3 ARG 91 -4.468 -29.212 7.358 716 HD2 ARG 91 HD2 ARG 91 -5.320 -28.096 5.228 717 HD3 ARG 91 HD3 ARG 91 -3.779 -28.544 4.487 718 HE ARG 91 HE ARG 91 -4.952 -30.825 5.672 719 HH11 ARG 91 HH11 ARG 91 -5.346 -28.737 2.880 720 HH12 ARG 91 HH12 ARG 91 -6.205 -29.933 1.967 721 HH21 ARG 91 HH21 ARG 91 -6.088 -32.365 4.474 722 HH22 ARG 91 HH22 ARG 91 -6.619 -31.989 2.864 723 H PHE 92 H PHE 92 -3.244 -24.674 5.199 724 HA PHE 92 HA PHE 92 -2.850 -25.839 2.535 725 HB2 PHE 92 HB2 PHE 92 -4.368 -23.369 3.491 726 HB3 PHE 92 HB3 PHE 92 -4.259 -23.867 1.811 727 HD1 PHE 92 HD2 PHE 92 -5.664 -24.738 5.108 728 HD2 PHE 92 HD1 PHE 92 -5.570 -25.738 0.963 729 HE1 PHE 92 HE2 PHE 92 -7.601 -26.217 5.425 730 HE2 PHE 92 HE1 PHE 92 -7.509 -27.216 1.284 731 HZ PHE 92 HZ PHE 92 -8.528 -27.460 3.512 732 H ASP 93 H ASP 93 -1.560 -23.329 4.582 733 HA ASP 93 HA ASP 93 0.399 -22.450 2.591 734 HB2 ASP 93 HB2 ASP 93 -1.627 -20.587 3.924 735 HB3 ASP 93 HB3 ASP 93 -0.113 -19.995 3.243 736 H SER 94 H SER 94 1.737 -23.692 4.072 737 HA SER 94 HA SER 94 2.112 -22.999 6.821 738 HB2 SER 94 HB2 SER 94 2.740 -25.214 5.870 739 HB3 SER 94 HB3 SER 94 4.003 -24.443 4.912 740 HG SER 94 HG SER 94 5.066 -23.897 6.821 741 H ASP 95 H ASP 95 3.105 -21.557 3.905 742 HA ASP 95 HA ASP 95 5.361 -20.056 4.965 743 HB2 ASP 95 HB2 ASP 95 3.959 -20.069 2.267 744 HB3 ASP 95 HB3 ASP 95 5.340 -19.046 2.645 745 H LEU 96 H LEU 96 2.337 -19.734 5.834 746 HA LEU 96 HA LEU 96 1.906 -16.928 5.340 747 HB2 LEU 96 HB2 LEU 96 -0.103 -17.100 6.533 748 HB3 LEU 96 HB3 LEU 96 0.078 -18.670 5.788 749 HG LEU 96 HG LEU 96 1.056 -19.358 8.181 750 HD11 LEU 96 HD11 LEU 96 -0.697 -16.995 8.919 751 HD12 LEU 96 HD12 LEU 96 1.037 -17.148 9.212 752 HD13 LEU 96 HD13 LEU 96 -0.088 -18.216 10.042 753 HD21 LEU 96 HD21 LEU 96 -1.161 -20.075 8.890 754 HD22 LEU 96 HD22 LEU 96 -0.957 -20.329 7.159 755 HD23 LEU 96 HD23 LEU 96 -1.918 -18.965 7.739 756 H TRP 97 H TRP 97 1.762 -15.354 7.096 757 HA TRP 97 HA TRP 97 3.882 -15.644 9.161 758 HB2 TRP 97 HB2 TRP 97 2.922 -13.157 7.655 759 HB3 TRP 97 HB3 TRP 97 4.083 -13.138 8.978 760 HD1 TRP 97 HD1 TRP 97 3.946 -15.216 5.652 761 HE1 TRP 97 HE1 TRP 97 6.248 -15.023 4.535 762 HE3 TRP 97 HE3 TRP 97 6.175 -12.073 8.975 763 HZ2 TRP 97 HZ2 TRP 97 8.685 -13.677 4.978 764 HZ3 TRP 97 HZ3 TRP 97 8.491 -11.345 8.558 765 HH2 TRP 97 HH2 TRP 97 9.721 -12.134 6.596 766 H VAL 98 H VAL 98 3.120 -15.457 11.243 767 HA VAL 98 HA VAL 98 0.424 -14.322 11.684 768 HB VAL 98 HB VAL 98 2.130 -15.942 13.639 769 HG11 VAL 98 HG11 VAL 98 -0.702 -14.846 13.932 770 HG12 VAL 98 HG12 VAL 98 0.720 -14.320 14.835 771 HG13 VAL 98 HG13 VAL 98 0.082 -15.946 15.075 772 HG21 VAL 98 HG21 VAL 98 -0.395 -16.728 12.125 773 HG22 VAL 98 HG22 VAL 98 0.417 -17.712 13.345 774 HG23 VAL 98 HG23 VAL 98 1.231 -17.347 11.824 775 H VAL 99 H VAL 99 0.236 -12.367 12.535 776 HA VAL 99 HA VAL 99 2.576 -11.089 13.873 777 HB VAL 99 HB VAL 99 0.377 -9.519 12.465 778 HG11 VAL 99 HG11 VAL 99 1.778 -8.265 14.020 779 HG12 VAL 99 HG12 VAL 99 2.046 -7.725 12.362 780 HG13 VAL 99 HG13 VAL 99 3.229 -8.772 13.149 781 HG21 VAL 99 HG21 VAL 99 1.768 -9.330 10.435 782 HG22 VAL 99 HG22 VAL 99 1.293 -11.005 10.730 783 HG23 VAL 99 HG23 VAL 99 2.928 -10.470 11.121 784 H GLU 100 H GLU 100 2.114 -10.730 16.031 785 HA GLU 100 HA GLU 100 -0.665 -10.484 16.910 786 HB2 GLU 100 HB2 GLU 100 0.285 -10.200 19.176 787 HB3 GLU 100 HB3 GLU 100 0.880 -11.660 18.402 788 HG2 GLU 100 HG2 GLU 100 3.033 -10.558 17.948 789 HG3 GLU 100 HG3 GLU 100 2.424 -9.061 18.659 790 H ILE 101 H ILE 101 -1.698 -8.572 17.186 791 HA ILE 101 HA ILE 101 -0.136 -6.103 17.545 792 HB ILE 101 HB ILE 101 -1.810 -4.751 16.288 793 HG12 ILE 101 HG12 ILE 101 -2.925 -7.387 15.223 794 HG13 ILE 101 HG13 ILE 101 -3.735 -6.397 16.424 795 HG21 ILE 101 HG21 ILE 101 0.257 -5.382 15.140 796 HG22 ILE 101 HG22 ILE 101 -1.072 -5.333 13.987 797 HG23 ILE 101 HG23 ILE 101 -0.473 -6.886 14.576 798 HD11 ILE 101 HD11 ILE 101 -3.906 -4.577 14.785 799 HD12 ILE 101 HD12 ILE 101 -4.690 -6.061 14.244 800 HD13 ILE 101 HD13 ILE 101 -3.117 -5.608 13.585 801 H GLU 102 H GLU 102 -0.672 -5.100 19.319 802 HA GLU 102 HA GLU 102 -3.194 -5.748 20.737 803 HB2 GLU 102 HB2 GLU 102 -0.443 -4.936 21.778 804 HB3 GLU 102 HB3 GLU 102 -1.879 -4.867 22.787 805 HG2 GLU 102 HG2 GLU 102 -0.624 -6.893 23.245 806 HG3 GLU 102 HG3 GLU 102 -2.190 -7.293 22.547 807 H THR 103 H THR 103 -4.546 -4.255 20.051 808 HA THR 103 HA THR 103 -4.244 -1.479 20.690 809 HB THR 103 HB THR 103 -3.006 -1.302 18.623 810 HG1 THR 103 HG1 THR 103 -4.955 -0.325 17.253 811 HG21 THR 103 HG21 THR 103 -3.787 -2.122 16.459 812 HG22 THR 103 HG22 THR 103 -5.229 -2.798 17.206 813 HG23 THR 103 HG23 THR 103 -3.643 -3.465 17.596 814 H ASP 104 H ASP 104 -6.247 -0.320 20.343 815 HA ASP 104 HA ASP 104 -8.565 -2.140 20.562 816 HB2 ASP 104 HB2 ASP 104 -8.268 0.761 21.442 817 HB3 ASP 104 HB3 ASP 104 -9.649 -0.284 21.777 818 H GLU 105 H GLU 105 -7.154 -0.438 18.176 819 HA GLU 105 HA GLU 105 -9.632 -0.374 16.629 820 HB2 GLU 105 HB2 GLU 105 -8.932 1.858 15.598 821 HB3 GLU 105 HB3 GLU 105 -9.556 1.926 17.235 822 HG2 GLU 105 HG2 GLU 105 -7.175 2.019 18.065 823 HG3 GLU 105 HG3 GLU 105 -6.652 2.143 16.388 824 H ILE 106 H ILE 106 -9.335 -0.913 14.507 825 HA ILE 106 HA ILE 106 -6.681 -2.053 13.877 826 HB ILE 106 HB ILE 106 -8.402 -3.770 14.096 827 HG12 ILE 106 HG12 ILE 106 -8.240 -4.843 11.822 828 HG13 ILE 106 HG13 ILE 106 -7.619 -3.331 11.170 829 HG21 ILE 106 HG21 ILE 106 -10.422 -2.468 13.670 830 HG22 ILE 106 HG22 ILE 106 -10.393 -3.892 12.628 831 HG23 ILE 106 HG23 ILE 106 -9.994 -2.306 11.965 832 HD11 ILE 106 HD11 ILE 106 -6.307 -4.972 13.327 833 HD12 ILE 106 HD12 ILE 106 -5.658 -3.508 12.575 834 HD13 ILE 106 HD13 ILE 106 -5.880 -4.970 11.618 835 H GLY 107 H GLY 107 -9.317 -0.071 12.546 836 HA2 GLY 107 HA2 GLY 107 -8.685 -0.314 9.804 837 HA3 GLY 107 HA3 GLY 107 -9.665 0.953 10.521 838 H THR 108 H THR 108 -7.429 1.811 12.240 839 HA THR 108 HA THR 108 -6.322 3.809 10.510 840 HB THR 108 HB THR 108 -7.049 4.261 12.846 841 HG1 THR 108 HG1 THR 108 -5.533 5.648 11.839 842 HG21 THR 108 HG21 THR 108 -6.233 2.200 13.951 843 HG22 THR 108 HG22 THR 108 -5.614 3.644 14.750 844 HG23 THR 108 HG23 THR 108 -4.562 2.717 13.681 845 H LEU 109 H LEU 109 -5.232 0.685 11.528 846 HA LEU 109 HA LEU 109 -2.438 1.230 10.717 847 HB2 LEU 109 HB2 LEU 109 -1.775 -0.403 12.614 848 HB3 LEU 109 HB3 LEU 109 -2.206 1.237 13.037 849 HG LEU 109 HG LEU 109 -4.627 0.160 13.450 850 HD11 LEU 109 HD11 LEU 109 -2.869 -2.247 13.980 851 HD12 LEU 109 HD12 LEU 109 -4.044 -2.110 12.668 852 HD13 LEU 109 HD13 LEU 109 -4.587 -2.086 14.344 853 HD21 LEU 109 HD21 LEU 109 -4.083 -0.096 15.823 854 HD22 LEU 109 HD22 LEU 109 -3.302 1.330 15.145 855 HD23 LEU 109 HD23 LEU 109 -2.359 -0.132 15.441 856 H LEU 110 H LEU 110 -5.114 -0.527 10.017 857 HA LEU 110 HA LEU 110 -3.753 -2.073 8.052 858 HB2 LEU 110 HB2 LEU 110 -3.364 -3.637 9.913 859 HB3 LEU 110 HB3 LEU 110 -5.064 -3.600 10.338 860 HG LEU 110 HG LEU 110 -5.632 -4.747 8.213 861 HD11 LEU 110 HD11 LEU 110 -3.880 -5.724 6.792 862 HD12 LEU 110 HD12 LEU 110 -2.647 -4.874 7.723 863 HD13 LEU 110 HD13 LEU 110 -3.831 -3.963 6.783 864 HD21 LEU 110 HD21 LEU 110 -5.263 -6.106 10.231 865 HD22 LEU 110 HD22 LEU 110 -3.545 -6.245 9.839 866 HD23 LEU 110 HD23 LEU 110 -4.757 -6.972 8.781 867 H THR 111 H THR 111 -5.073 -2.099 6.353 868 HA THR 111 HA THR 111 -7.838 -1.196 6.657 869 HB THR 111 HB THR 111 -6.210 -1.539 4.096 870 HG1 THR 111 HG1 THR 111 -5.814 0.188 6.002 871 HG21 THR 111 HG21 THR 111 -8.784 -0.006 4.656 872 HG22 THR 111 HG22 THR 111 -8.663 -1.512 3.739 873 HG23 THR 111 HG23 THR 111 -7.918 -0.034 3.120 874 H LEU 112 H LEU 112 -9.603 -2.339 6.072 875 HA LEU 112 HA LEU 112 -9.324 -5.176 5.241 876 HB2 LEU 112 HB2 LEU 112 -11.227 -4.057 7.342 877 HB3 LEU 112 HB3 LEU 112 -11.071 -5.749 6.878 878 HG LEU 112 HG LEU 112 -8.774 -4.188 8.099 879 HD11 LEU 112 HD11 LEU 112 -10.784 -5.856 9.581 880 HD12 LEU 112 HD12 LEU 112 -10.557 -4.108 9.701 881 HD13 LEU 112 HD13 LEU 112 -9.287 -5.199 10.247 882 HD21 LEU 112 HD21 LEU 112 -8.126 -6.213 6.874 883 HD22 LEU 112 HD22 LEU 112 -9.222 -7.169 7.876 884 HD23 LEU 112 HD23 LEU 112 -7.824 -6.372 8.603 885 H VAL 113 H VAL 113 -11.081 -6.016 4.031 886 HA VAL 113 HA VAL 113 -12.498 -4.092 2.379 887 HB VAL 113 HB VAL 113 -13.295 -6.110 1.089 888 HG11 VAL 113 HG11 VAL 113 -10.288 -6.048 1.537 889 HG12 VAL 113 HG12 VAL 113 -11.189 -4.998 0.442 890 HG13 VAL 113 HG13 VAL 113 -11.116 -6.733 0.135 891 HG21 VAL 113 HG21 VAL 113 -11.593 -7.703 3.050 892 HG22 VAL 113 HG22 VAL 113 -12.349 -8.343 1.589 893 HG23 VAL 113 HG23 VAL 113 -13.354 -7.770 2.923 894 H ASP 114 H ASP 114 -13.196 -6.114 5.086 895 HA ASP 114 HA ASP 114 -16.105 -5.900 4.730 896 HB2 ASP 114 HB2 ASP 114 -16.168 -7.603 6.651 897 HB3 ASP 114 HB3 ASP 114 -15.563 -8.160 5.105 898 H GLN 115 H GLN 115 -13.755 -5.524 7.453 899 HA GLN 115 HA GLN 115 -15.583 -3.956 9.031 900 HB2 GLN 115 HB2 GLN 115 -12.590 -4.400 9.344 901 HB3 GLN 115 HB3 GLN 115 -13.610 -3.612 10.542 902 HG2 GLN 115 HG2 GLN 115 -13.742 -6.509 9.655 903 HG3 GLN 115 HG3 GLN 115 -13.154 -5.897 11.199 904 HE21 GLN 115 HE21 GLN 115 -15.950 -6.643 9.295 905 HE22 GLN 115 HE22 GLN 115 -17.118 -6.482 10.555 906 HA PRO 116 HA PRO 116 -14.880 0.094 7.364 907 HB2 PRO 116 HB2 PRO 116 -14.961 1.743 9.562 908 HB3 PRO 116 HB3 PRO 116 -16.396 0.934 8.912 909 HG2 PRO 116 HG2 PRO 116 -14.631 0.097 11.215 910 HG3 PRO 116 HG3 PRO 116 -16.407 0.173 11.139 911 HD2 PRO 116 HD2 PRO 116 -15.094 -2.162 10.809 912 HD3 PRO 116 HD3 PRO 116 -16.565 -1.797 9.881 913 H GLN 117 H GLN 117 -13.333 1.624 6.952 914 HA GLN 117 HA GLN 117 -10.600 0.902 7.533 915 HB2 GLN 117 HB2 GLN 117 -11.757 3.179 5.876 916 HB3 GLN 117 HB3 GLN 117 -10.078 2.649 5.862 917 HG2 GLN 117 HG2 GLN 117 -10.728 0.481 4.932 918 HG3 GLN 117 HG3 GLN 117 -12.435 0.902 5.059 919 HE21 GLN 117 HE21 GLN 117 -12.886 0.683 2.905 920 HE22 GLN 117 HE22 GLN 117 -12.256 1.730 1.685 921 H ALA 118 H ALA 118 -12.822 2.823 9.127 922 HA ALA 118 HA ALA 118 -10.949 4.758 10.230 923 HB1 ALA 118 HB1 ALA 118 -12.913 5.550 11.499 924 HB2 ALA 118 HB2 ALA 118 -13.868 4.215 10.855 925 HB3 ALA 118 HB3 ALA 118 -13.251 5.454 9.761 Start of MODEL 9 1 H MET 1 H MET 1 0.450 -0.796 -0.872 2 HA MET 1 HA MET 1 2.488 0.207 -1.564 3 HB2 MET 1 HB2 MET 1 3.594 -1.060 0.985 4 HB3 MET 1 HB3 MET 1 4.600 -0.362 -0.276 5 HG2 MET 1 HG2 MET 1 3.725 1.848 0.170 6 HG3 MET 1 HG3 MET 1 2.538 1.197 1.301 7 HE1 MET 1 HE1 MET 1 6.320 -0.006 1.033 8 HE2 MET 1 HE2 MET 1 7.094 1.087 2.179 9 HE3 MET 1 HE3 MET 1 6.440 1.717 0.667 10 H ARG 2 H ARG 2 3.150 -1.023 -3.288 11 HA ARG 2 HA ARG 2 2.816 -3.863 -3.362 12 HB2 ARG 2 HB2 ARG 2 4.181 -1.998 -5.335 13 HB3 ARG 2 HB3 ARG 2 3.764 -3.685 -5.642 14 HG2 ARG 2 HG2 ARG 2 1.371 -3.148 -5.387 15 HG3 ARG 2 HG3 ARG 2 1.782 -1.461 -5.059 16 HD2 ARG 2 HD2 ARG 2 2.374 -2.948 -7.636 17 HD3 ARG 2 HD3 ARG 2 1.039 -1.819 -7.387 18 HE ARG 2 HE ARG 2 3.726 -0.795 -6.909 19 HH11 ARG 2 HH11 ARG 2 1.045 -1.017 -9.143 20 HH12 ARG 2 HH12 ARG 2 1.588 0.312 -10.108 21 HH21 ARG 2 HH21 ARG 2 4.447 0.912 -8.211 22 HH22 ARG 2 HH22 ARG 2 3.514 1.402 -9.586 23 H LEU 3 H LEU 3 4.097 -4.704 -1.788 24 HA LEU 3 HA LEU 3 6.997 -4.880 -2.286 25 HB2 LEU 3 HB2 LEU 3 7.127 -4.951 0.387 26 HB3 LEU 3 HB3 LEU 3 7.192 -3.433 -0.482 27 HG LEU 3 HG LEU 3 4.814 -3.001 0.049 28 HD11 LEU 3 HD11 LEU 3 4.877 -5.579 1.622 29 HD12 LEU 3 HD12 LEU 3 3.926 -5.249 0.171 30 HD13 LEU 3 HD13 LEU 3 3.582 -4.378 1.663 31 HD21 LEU 3 HD21 LEU 3 5.051 -2.535 2.432 32 HD22 LEU 3 HD22 LEU 3 6.540 -2.150 1.572 33 HD23 LEU 3 HD23 LEU 3 6.434 -3.629 2.530 34 H LYS 4 H LYS 4 7.780 -6.671 -0.541 35 HA LYS 4 HA LYS 4 6.483 -9.135 -1.249 36 HB2 LYS 4 HB2 LYS 4 8.741 -8.525 0.704 37 HB3 LYS 4 HB3 LYS 4 8.219 -10.152 0.268 38 HG2 LYS 4 HG2 LYS 4 8.843 -9.726 -2.084 39 HG3 LYS 4 HG3 LYS 4 9.389 -8.101 -1.637 40 HD2 LYS 4 HD2 LYS 4 11.055 -9.104 -0.089 41 HD3 LYS 4 HD3 LYS 4 10.528 -10.719 -0.573 42 HE2 LYS 4 HE2 LYS 4 11.294 -10.327 -2.847 43 HE3 LYS 4 HE3 LYS 4 11.697 -8.652 -2.463 44 HZ1 LYS 4 HZ1 LYS 4 13.355 -9.459 -0.903 45 HZ2 LYS 4 HZ2 LYS 4 13.653 -10.037 -2.463 46 HZ3 LYS 4 HZ3 LYS 4 12.977 -11.059 -1.296 47 H SER 5 H SER 5 5.800 -10.740 0.355 48 HA SER 5 HA SER 5 3.868 -9.940 2.232 49 HB2 SER 5 HB2 SER 5 5.415 -12.570 2.169 50 HB3 SER 5 HB3 SER 5 3.789 -12.309 2.807 51 HG SER 5 HG SER 5 3.006 -12.360 0.838 52 H GLU 6 H GLU 6 7.292 -10.684 2.545 53 HA GLU 6 HA GLU 6 7.570 -10.722 5.354 54 HB2 GLU 6 HB2 GLU 6 9.242 -11.735 3.911 55 HB3 GLU 6 HB3 GLU 6 9.536 -10.224 3.070 56 HG2 GLU 6 HG2 GLU 6 10.162 -10.497 6.021 57 HG3 GLU 6 HG3 GLU 6 11.283 -11.111 4.808 58 H MET 7 H MET 7 8.271 -8.255 2.933 59 HA MET 7 HA MET 7 9.071 -6.215 4.711 60 HB2 MET 7 HB2 MET 7 9.707 -6.359 2.298 61 HB3 MET 7 HB3 MET 7 8.052 -5.978 1.850 62 HG2 MET 7 HG2 MET 7 9.356 -4.002 1.574 63 HG3 MET 7 HG3 MET 7 8.335 -3.749 2.982 64 HE1 MET 7 HE1 MET 7 9.233 -2.755 5.113 65 HE2 MET 7 HE2 MET 7 10.790 -3.170 5.829 66 HE3 MET 7 HE3 MET 7 9.565 -4.418 5.607 67 H PHE 8 H PHE 8 5.921 -7.223 3.514 68 HA PHE 8 HA PHE 8 4.419 -4.930 4.198 69 HB2 PHE 8 HB2 PHE 8 3.512 -6.790 2.760 70 HB3 PHE 8 HB3 PHE 8 3.409 -7.818 4.187 71 HD1 PHE 8 HD1 PHE 8 2.032 -4.790 2.542 72 HD2 PHE 8 HD2 PHE 8 1.609 -7.489 5.835 73 HE1 PHE 8 HE1 PHE 8 -0.139 -3.786 3.097 74 HE2 PHE 8 HE2 PHE 8 -0.562 -6.476 6.366 75 HZ PHE 8 HZ PHE 8 -1.437 -4.626 5.006 76 H VAL 9 H VAL 9 5.061 -7.949 5.991 77 HA VAL 9 HA VAL 9 3.564 -7.205 8.293 78 HB VAL 9 HB VAL 9 5.755 -9.323 8.120 79 HG11 VAL 9 HG11 VAL 9 5.227 -8.731 10.429 80 HG12 VAL 9 HG12 VAL 9 4.624 -10.345 10.057 81 HG13 VAL 9 HG13 VAL 9 3.507 -8.979 10.123 82 HG21 VAL 9 HG21 VAL 9 3.935 -10.937 7.723 83 HG22 VAL 9 HG22 VAL 9 3.986 -9.721 6.446 84 HG23 VAL 9 HG23 VAL 9 2.758 -9.619 7.708 85 H SER 10 H SER 10 7.008 -7.014 7.462 86 HA SER 10 HA SER 10 8.061 -6.099 9.896 87 HB2 SER 10 HB2 SER 10 9.439 -6.829 7.947 88 HB3 SER 10 HB3 SER 10 8.982 -5.364 7.082 89 HG SER 10 HG SER 10 10.592 -5.637 9.388 90 H ALA 11 H ALA 11 6.553 -4.336 7.207 91 HA ALA 11 HA ALA 11 6.806 -1.712 8.354 92 HB1 ALA 11 HB1 ALA 11 4.986 -2.697 6.128 93 HB2 ALA 11 HB2 ALA 11 6.621 -2.066 5.923 94 HB3 ALA 11 HB3 ALA 11 5.338 -1.007 6.510 95 H LEU 12 H LEU 12 4.406 -4.284 8.524 96 HA LEU 12 HA LEU 12 2.135 -2.806 9.351 97 HB2 LEU 12 HB2 LEU 12 2.392 -5.264 8.448 98 HB3 LEU 12 HB3 LEU 12 2.606 -5.704 10.128 99 HG LEU 12 HG LEU 12 0.113 -4.381 8.965 100 HD11 LEU 12 HD11 LEU 12 0.561 -7.277 9.751 101 HD12 LEU 12 HD12 LEU 12 0.420 -6.656 8.105 102 HD13 LEU 12 HD13 LEU 12 -0.962 -6.574 9.193 103 HD21 LEU 12 HD21 LEU 12 -1.008 -4.968 11.088 104 HD22 LEU 12 HD22 LEU 12 0.327 -3.849 11.353 105 HD23 LEU 12 HD23 LEU 12 0.526 -5.560 11.738 106 H ILE 13 H ILE 13 4.606 -4.600 11.204 107 HA ILE 13 HA ILE 13 3.707 -4.094 13.802 108 HB ILE 13 HB ILE 13 6.508 -4.636 12.710 109 HG12 ILE 13 HG12 ILE 13 6.372 -6.761 13.953 110 HG13 ILE 13 HG13 ILE 13 4.868 -6.280 14.710 111 HG21 ILE 13 HG21 ILE 13 5.849 -4.132 15.635 112 HG22 ILE 13 HG22 ILE 13 6.910 -3.162 14.613 113 HG23 ILE 13 HG23 ILE 13 7.371 -4.807 15.046 114 HD11 ILE 13 HD11 ILE 13 5.288 -6.968 11.826 115 HD12 ILE 13 HD12 ILE 13 3.759 -6.439 12.534 116 HD13 ILE 13 HD13 ILE 13 4.506 -7.950 13.062 117 H ARG 14 H ARG 14 5.727 -2.102 11.642 118 HA ARG 14 HA ARG 14 6.250 0.029 13.457 119 HB2 ARG 14 HB2 ARG 14 6.538 -0.368 10.496 120 HB3 ARG 14 HB3 ARG 14 6.516 1.291 11.060 121 HG2 ARG 14 HG2 ARG 14 8.809 0.478 10.799 122 HG3 ARG 14 HG3 ARG 14 8.466 0.893 12.474 123 HD2 ARG 14 HD2 ARG 14 8.389 -1.950 11.424 124 HD3 ARG 14 HD3 ARG 14 9.840 -1.219 12.108 125 HE ARG 14 HE ARG 14 7.464 -2.100 13.519 126 HH11 ARG 14 HH11 ARG 14 10.486 -0.357 13.788 127 HH12 ARG 14 HH12 ARG 14 10.449 -0.320 15.520 128 HH21 ARG 14 HH21 ARG 14 7.429 -2.046 15.785 129 HH22 ARG 14 HH22 ARG 14 8.717 -1.273 16.643 130 H ARG 15 H ARG 15 3.568 -0.589 11.229 131 HA ARG 15 HA ARG 15 2.398 1.985 11.239 132 HB2 ARG 15 HB2 ARG 15 1.007 -0.703 10.886 133 HB3 ARG 15 HB3 ARG 15 0.289 0.864 10.518 134 HG2 ARG 15 HG2 ARG 15 2.178 1.175 8.815 135 HG3 ARG 15 HG3 ARG 15 2.559 -0.530 9.077 136 HD2 ARG 15 HD2 ARG 15 1.126 -0.320 7.115 137 HD3 ARG 15 HD3 ARG 15 0.214 -1.125 8.404 138 HE ARG 15 HE ARG 15 -0.340 1.549 8.699 139 HH11 ARG 15 HH11 ARG 15 -0.808 -0.745 6.082 140 HH12 ARG 15 HH12 ARG 15 -2.169 0.116 5.440 141 HH21 ARG 15 HH21 ARG 15 -2.081 2.640 7.860 142 HH22 ARG 15 HH22 ARG 15 -2.895 2.035 6.453 143 H VAL 16 H VAL 16 1.815 -0.880 13.296 144 HA VAL 16 HA VAL 16 -0.355 0.313 14.724 145 HB VAL 16 HB VAL 16 -0.426 -1.628 16.130 146 HG11 VAL 16 HG11 VAL 16 -0.553 -3.481 14.513 147 HG12 VAL 16 HG12 VAL 16 0.388 -2.547 13.346 148 HG13 VAL 16 HG13 VAL 16 -1.213 -1.996 13.826 149 HG21 VAL 16 HG21 VAL 16 1.991 -1.774 16.666 150 HG22 VAL 16 HG22 VAL 16 2.285 -2.477 15.073 151 HG23 VAL 16 HG23 VAL 16 1.284 -3.330 16.255 152 H PHE 17 H PHE 17 3.131 -0.065 15.407 153 HA PHE 17 HA PHE 17 3.077 0.957 18.071 154 HB2 PHE 17 HB2 PHE 17 5.259 0.430 16.046 155 HB3 PHE 17 HB3 PHE 17 5.648 1.409 17.451 156 HD1 PHE 17 HD1 PHE 17 4.454 -1.969 16.412 157 HD2 PHE 17 HD2 PHE 17 6.060 0.390 19.582 158 HE1 PHE 17 HE1 PHE 17 4.886 -4.003 17.700 159 HE2 PHE 17 HE2 PHE 17 6.482 -1.662 20.873 160 HZ PHE 17 HZ PHE 17 5.901 -3.860 19.935 161 H ALA 18 H ALA 18 3.341 2.458 14.901 162 HA ALA 18 HA ALA 18 3.898 5.126 15.779 163 HB1 ALA 18 HB1 ALA 18 2.606 4.163 13.208 164 HB2 ALA 18 HB2 ALA 18 4.333 4.391 13.477 165 HB3 ALA 18 HB3 ALA 18 3.250 5.784 13.494 166 H ALA 19 H ALA 19 1.005 3.185 15.566 167 HA ALA 19 HA ALA 19 -0.822 5.411 16.107 168 HB1 ALA 19 HB1 ALA 19 -2.588 3.707 15.993 169 HB2 ALA 19 HB2 ALA 19 -1.371 2.430 15.895 170 HB3 ALA 19 HB3 ALA 19 -1.527 3.602 14.586 171 H GLY 20 H GLY 20 1.279 3.624 17.981 172 HA2 GLY 20 HA2 GLY 20 1.601 3.833 20.284 173 HA3 GLY 20 HA3 GLY 20 -0.048 4.408 20.466 174 H GLY 21 H GLY 21 0.730 1.486 18.733 175 HA2 GLY 21 HA2 GLY 21 -0.548 -0.166 20.835 176 HA3 GLY 21 HA3 GLY 21 -0.777 -0.413 19.111 177 H PHE 22 H PHE 22 -0.109 -2.614 19.613 178 HA PHE 22 HA PHE 22 2.823 -3.022 19.799 179 HB2 PHE 22 HB2 PHE 22 1.954 -3.534 22.013 180 HB3 PHE 22 HB3 PHE 22 0.620 -4.468 21.348 181 HD1 PHE 22 HD1 PHE 22 4.356 -4.435 21.664 182 HD2 PHE 22 HD2 PHE 22 0.855 -6.823 21.046 183 HE1 PHE 22 HE1 PHE 22 5.711 -6.478 21.802 184 HE2 PHE 22 HE2 PHE 22 2.224 -8.861 21.195 185 HZ PHE 22 HZ PHE 22 4.654 -8.688 21.571 186 H ALA 23 H ALA 23 3.573 -4.977 18.779 187 HA ALA 23 HA ALA 23 1.808 -6.789 17.429 188 HB1 ALA 23 HB1 ALA 23 1.749 -5.038 15.749 189 HB2 ALA 23 HB2 ALA 23 2.693 -6.390 15.133 190 HB3 ALA 23 HB3 ALA 23 3.508 -4.939 15.730 191 H ALA 24 H ALA 24 2.946 -8.565 16.406 192 HA ALA 24 HA ALA 24 5.790 -8.839 16.536 193 HB1 ALA 24 HB1 ALA 24 4.184 -10.425 18.593 194 HB2 ALA 24 HB2 ALA 24 5.296 -9.102 18.953 195 HB3 ALA 24 HB3 ALA 24 5.912 -10.603 18.263 196 H VAL 25 H VAL 25 6.386 -10.297 15.064 197 HA VAL 25 HA VAL 25 4.461 -11.849 13.571 198 HB VAL 25 HB VAL 25 7.498 -12.022 13.296 199 HG11 VAL 25 HG11 VAL 25 5.280 -12.484 11.268 200 HG12 VAL 25 HG12 VAL 25 6.233 -13.737 12.065 201 HG13 VAL 25 HG13 VAL 25 7.013 -12.613 10.952 202 HG21 VAL 25 HG21 VAL 25 5.681 -9.937 12.051 203 HG22 VAL 25 HG22 VAL 25 7.362 -10.217 11.594 204 HG23 VAL 25 HG23 VAL 25 6.972 -9.653 13.219 205 H GLU 26 H GLU 26 3.674 -13.571 14.675 206 HA GLU 26 HA GLU 26 5.246 -15.223 16.437 207 HB2 GLU 26 HB2 GLU 26 2.380 -15.488 15.435 208 HB3 GLU 26 HB3 GLU 26 3.111 -16.533 16.655 209 HG2 GLU 26 HG2 GLU 26 2.658 -13.539 16.893 210 HG3 GLU 26 HG3 GLU 26 1.750 -14.808 17.716 211 H LYS 27 H LYS 27 3.856 -15.597 13.182 212 HA LYS 27 HA LYS 27 5.589 -17.957 12.741 213 HB2 LYS 27 HB2 LYS 27 3.243 -18.703 12.986 214 HB3 LYS 27 HB3 LYS 27 2.731 -17.568 11.741 215 HG2 LYS 27 HG2 LYS 27 4.029 -18.801 10.054 216 HG3 LYS 27 HG3 LYS 27 4.609 -19.913 11.299 217 HD2 LYS 27 HD2 LYS 27 2.250 -20.619 11.715 218 HD3 LYS 27 HD3 LYS 27 1.721 -19.566 10.398 219 HE2 LYS 27 HE2 LYS 27 1.899 -21.909 9.663 220 HE3 LYS 27 HE3 LYS 27 3.051 -20.888 8.803 221 HZ1 LYS 27 HZ1 LYS 27 4.005 -22.994 9.529 222 HZ2 LYS 27 HZ2 LYS 27 3.702 -22.589 11.140 223 HZ3 LYS 27 HZ3 LYS 27 4.794 -21.675 10.231 224 H LYS 28 H LYS 28 6.512 -18.096 10.723 225 HA LYS 28 HA LYS 28 6.327 -15.760 8.920 226 HB2 LYS 28 HB2 LYS 28 8.289 -15.417 10.310 227 HB3 LYS 28 HB3 LYS 28 8.832 -17.074 10.068 228 HG2 LYS 28 HG2 LYS 28 9.318 -16.619 7.722 229 HG3 LYS 28 HG3 LYS 28 8.648 -14.994 7.868 230 HD2 LYS 28 HD2 LYS 28 10.440 -14.411 9.482 231 HD3 LYS 28 HD3 LYS 28 11.118 -16.033 9.309 232 HE2 LYS 28 HE2 LYS 28 11.572 -15.592 6.922 233 HE3 LYS 28 HE3 LYS 28 10.853 -13.986 7.072 234 HZ1 LYS 28 HZ1 LYS 28 13.241 -13.871 7.190 235 HZ2 LYS 28 HZ2 LYS 28 13.270 -14.953 8.487 236 HZ3 LYS 28 HZ3 LYS 28 12.571 -13.428 8.678 237 H GLY 29 H GLY 29 5.812 -16.431 6.945 238 HA2 GLY 29 HA2 GLY 29 6.564 -19.149 6.000 239 HA3 GLY 29 HA3 GLY 29 5.167 -18.226 5.463 240 H ALA 30 H ALA 30 5.640 -18.136 3.289 241 HA ALA 30 HA ALA 30 8.208 -17.715 2.171 242 HB1 ALA 30 HB1 ALA 30 7.018 -17.467 0.023 243 HB2 ALA 30 HB2 ALA 30 5.479 -17.336 0.880 244 HB3 ALA 30 HB3 ALA 30 6.399 -18.838 0.944 245 H GLU 31 H GLU 31 9.297 -15.882 1.647 246 HA GLU 31 HA GLU 31 8.602 -13.451 2.908 247 HB2 GLU 31 HB2 GLU 31 10.770 -14.004 0.843 248 HB3 GLU 31 HB3 GLU 31 10.634 -12.521 1.788 249 HG2 GLU 31 HG2 GLU 31 10.925 -13.853 3.877 250 HG3 GLU 31 HG3 GLU 31 11.145 -15.305 2.898 251 H ALA 32 H ALA 32 8.581 -14.392 -0.543 252 HA ALA 32 HA ALA 32 7.460 -11.775 -1.310 253 HB1 ALA 32 HB1 ALA 32 9.351 -12.651 -2.619 254 HB2 ALA 32 HB2 ALA 32 7.907 -12.481 -3.620 255 HB3 ALA 32 HB3 ALA 32 8.404 -14.077 -3.050 256 H ALA 33 H ALA 33 6.608 -15.216 -1.269 257 HA ALA 33 HA ALA 33 4.054 -14.680 -2.687 258 HB1 ALA 33 HB1 ALA 33 5.645 -17.259 -2.449 259 HB2 ALA 33 HB2 ALA 33 5.645 -16.172 -3.838 260 HB3 ALA 33 HB3 ALA 33 4.171 -17.032 -3.395 261 H GLY 34 H GLY 34 4.544 -14.480 0.322 262 HA2 GLY 34 HA2 GLY 34 3.174 -16.826 1.442 263 HA3 GLY 34 HA3 GLY 34 3.964 -15.542 2.336 264 H ALA 35 H ALA 35 1.187 -16.833 2.422 265 HA ALA 35 HA ALA 35 -0.655 -14.619 2.176 266 HB1 ALA 35 HB1 ALA 35 -1.474 -16.939 2.126 267 HB2 ALA 35 HB2 ALA 35 -2.197 -16.069 3.478 268 HB3 ALA 35 HB3 ALA 35 -0.879 -17.209 3.764 269 H ILE 36 H ILE 36 -1.698 -13.602 4.158 270 HA ILE 36 HA ILE 36 0.136 -13.375 6.476 271 HB ILE 36 HB ILE 36 -1.187 -10.920 5.234 272 HG12 ILE 36 HG12 ILE 36 0.536 -11.736 3.626 273 HG13 ILE 36 HG13 ILE 36 0.975 -10.184 4.329 274 HG21 ILE 36 HG21 ILE 36 0.965 -11.181 7.373 275 HG22 ILE 36 HG22 ILE 36 -0.723 -10.739 7.633 276 HG23 ILE 36 HG23 ILE 36 0.340 -9.655 6.737 277 HD11 ILE 36 HD11 ILE 36 2.494 -11.410 5.887 278 HD12 ILE 36 HD12 ILE 36 2.918 -11.529 4.188 279 HD13 ILE 36 HD13 ILE 36 2.135 -12.886 4.990 280 H PHE 37 H PHE 37 -1.027 -13.713 8.274 281 HA PHE 37 HA PHE 37 -3.893 -13.054 8.399 282 HB2 PHE 37 HB2 PHE 37 -2.484 -15.618 9.245 283 HB3 PHE 37 HB3 PHE 37 -3.994 -15.128 10.003 284 HD1 PHE 37 HD1 PHE 37 -2.476 -15.972 6.684 285 HD2 PHE 37 HD2 PHE 37 -6.082 -15.605 8.967 286 HE1 PHE 37 HE1 PHE 37 -3.744 -17.029 4.863 287 HE2 PHE 37 HE2 PHE 37 -7.336 -16.657 7.134 288 HZ PHE 37 HZ PHE 37 -6.173 -17.373 5.086 289 H VAL 38 H VAL 38 -4.161 -11.534 9.845 290 HA VAL 38 HA VAL 38 -2.279 -11.181 12.115 291 HB VAL 38 HB VAL 38 -3.973 -9.047 10.708 292 HG11 VAL 38 HG11 VAL 38 -2.579 -7.415 11.945 293 HG12 VAL 38 HG12 VAL 38 -1.746 -8.743 12.757 294 HG13 VAL 38 HG13 VAL 38 -3.465 -8.472 13.048 295 HG21 VAL 38 HG21 VAL 38 -0.996 -9.581 10.406 296 HG22 VAL 38 HG22 VAL 38 -1.885 -8.237 9.686 297 HG23 VAL 38 HG23 VAL 38 -2.229 -9.892 9.180 298 H ARG 39 H ARG 39 -3.219 -10.669 14.162 299 HA ARG 39 HA ARG 39 -6.176 -10.850 14.368 300 HB2 ARG 39 HB2 ARG 39 -5.964 -12.073 16.461 301 HB3 ARG 39 HB3 ARG 39 -5.033 -12.917 15.233 302 HG2 ARG 39 HG2 ARG 39 -2.952 -11.883 16.164 303 HG3 ARG 39 HG3 ARG 39 -3.926 -11.151 17.436 304 HD2 ARG 39 HD2 ARG 39 -2.938 -13.089 18.385 305 HD3 ARG 39 HD3 ARG 39 -4.631 -13.502 18.097 306 HE ARG 39 HE ARG 39 -3.397 -14.372 15.846 307 HH11 ARG 39 HH11 ARG 39 -2.817 -14.995 19.252 308 HH12 ARG 39 HH12 ARG 39 -2.150 -16.569 18.961 309 HH21 ARG 39 HH21 ARG 39 -2.522 -16.426 15.504 310 HH22 ARG 39 HH22 ARG 39 -1.969 -17.364 16.850 311 H GLN 40 H GLN 40 -7.011 -8.940 15.057 312 HA GLN 40 HA GLN 40 -5.362 -7.006 16.511 313 HB2 GLN 40 HB2 GLN 40 -6.804 -5.992 14.846 314 HB3 GLN 40 HB3 GLN 40 -8.226 -6.816 15.488 315 HG2 GLN 40 HG2 GLN 40 -7.925 -5.536 17.637 316 HG3 GLN 40 HG3 GLN 40 -6.613 -4.646 16.873 317 HE21 GLN 40 HE21 GLN 40 -7.817 -2.827 17.468 318 HE22 GLN 40 HE22 GLN 40 -9.148 -2.287 16.506 319 H ARG 41 H ARG 41 -5.267 -7.021 18.647 320 HA ARG 41 HA ARG 41 -7.261 -8.409 20.277 321 HB2 ARG 41 HB2 ARG 41 -4.787 -8.814 20.514 322 HB3 ARG 41 HB3 ARG 41 -4.618 -7.152 21.076 323 HG2 ARG 41 HG2 ARG 41 -5.831 -7.612 23.096 324 HG3 ARG 41 HG3 ARG 41 -6.416 -9.164 22.476 325 HD2 ARG 41 HD2 ARG 41 -3.549 -8.463 23.217 326 HD3 ARG 41 HD3 ARG 41 -4.622 -9.581 24.070 327 HE ARG 41 HE ARG 41 -4.607 -10.925 21.940 328 HH11 ARG 41 HH11 ARG 41 -1.829 -8.927 22.742 329 HH12 ARG 41 HH12 ARG 41 -0.733 -9.890 21.798 330 HH21 ARG 41 HH21 ARG 41 -3.183 -12.124 20.674 331 HH22 ARG 41 HH22 ARG 41 -1.497 -11.693 20.636 332 H LEU 42 H LEU 42 -8.695 -7.312 21.457 333 HA LEU 42 HA LEU 42 -8.754 -4.380 21.379 334 HB2 LEU 42 HB2 LEU 42 -10.938 -6.402 22.060 335 HB3 LEU 42 HB3 LEU 42 -11.153 -4.663 22.102 336 HG LEU 42 HG LEU 42 -12.164 -5.332 20.088 337 HD11 LEU 42 HD11 LEU 42 -10.859 -4.326 18.296 338 HD12 LEU 42 HD12 LEU 42 -9.400 -4.401 19.287 339 HD13 LEU 42 HD13 LEU 42 -10.754 -3.379 19.778 340 HD21 LEU 42 HD21 LEU 42 -9.761 -7.049 19.400 341 HD22 LEU 42 HD22 LEU 42 -11.210 -6.824 18.414 342 HD23 LEU 42 HD23 LEU 42 -11.329 -7.627 19.975 343 H ARG 43 H ARG 43 -9.635 -3.303 23.275 344 HA ARG 43 HA ARG 43 -8.298 -3.760 25.714 345 HB2 ARG 43 HB2 ARG 43 -9.734 -1.908 26.549 346 HB3 ARG 43 HB3 ARG 43 -9.042 -1.547 24.972 347 HG2 ARG 43 HG2 ARG 43 -11.266 -2.300 23.954 348 HG3 ARG 43 HG3 ARG 43 -11.916 -2.313 25.594 349 HD2 ARG 43 HD2 ARG 43 -10.774 0.089 24.118 350 HD3 ARG 43 HD3 ARG 43 -12.479 -0.220 24.455 351 HE ARG 43 HE ARG 43 -11.034 -0.165 26.883 352 HH11 ARG 43 HH11 ARG 43 -12.123 2.049 24.390 353 HH12 ARG 43 HH12 ARG 43 -12.190 3.408 25.457 354 HH21 ARG 43 HH21 ARG 43 -11.135 1.635 28.278 355 HH22 ARG 43 HH22 ARG 43 -11.627 3.175 27.654 356 H ASP 44 H ASP 44 -11.212 -5.048 24.450 357 HA ASP 44 HA ASP 44 -12.700 -5.619 26.803 358 HB2 ASP 44 HB2 ASP 44 -12.828 -6.914 24.039 359 HB3 ASP 44 HB3 ASP 44 -14.072 -7.019 25.284 360 H GLY 45 H GLY 45 -9.984 -7.164 25.325 361 HA2 GLY 45 HA2 GLY 45 -8.841 -9.094 26.070 362 HA3 GLY 45 HA3 GLY 45 -10.280 -9.638 26.916 363 H ARG 46 H ARG 46 -11.399 -8.607 24.044 364 HA ARG 46 HA ARG 46 -11.420 -11.264 22.820 365 HB2 ARG 46 HB2 ARG 46 -12.945 -8.710 22.164 366 HB3 ARG 46 HB3 ARG 46 -13.127 -10.226 21.287 367 HG2 ARG 46 HG2 ARG 46 -13.850 -9.684 24.186 368 HG3 ARG 46 HG3 ARG 46 -14.951 -10.036 22.845 369 HD2 ARG 46 HD2 ARG 46 -13.858 -12.294 22.628 370 HD3 ARG 46 HD3 ARG 46 -12.922 -11.929 24.089 371 HE ARG 46 HE ARG 46 -15.708 -11.621 24.563 372 HH11 ARG 46 HH11 ARG 46 -13.222 -14.083 24.264 373 HH12 ARG 46 HH12 ARG 46 -14.127 -15.268 25.146 374 HH21 ARG 46 HH21 ARG 46 -16.876 -13.176 25.735 375 HH22 ARG 46 HH22 ARG 46 -16.212 -14.764 25.967 376 H GLU 47 H GLU 47 -11.359 -11.193 20.325 377 HA GLU 47 HA GLU 47 -9.264 -9.472 19.266 378 HB2 GLU 47 HB2 GLU 47 -8.945 -12.509 19.403 379 HB3 GLU 47 HB3 GLU 47 -7.938 -11.445 18.419 380 HG2 GLU 47 HG2 GLU 47 -7.208 -10.270 20.485 381 HG3 GLU 47 HG3 GLU 47 -8.146 -11.410 21.445 382 H ASN 48 H ASN 48 -8.954 -9.693 17.003 383 HA ASN 48 HA ASN 48 -11.235 -10.745 15.434 384 HB2 ASN 48 HB2 ASN 48 -9.250 -8.513 14.751 385 HB3 ASN 48 HB3 ASN 48 -10.502 -9.114 13.669 386 HD21 ASN 48 HD21 ASN 48 -9.879 -7.294 16.583 387 HD22 ASN 48 HD22 ASN 48 -11.404 -6.489 16.630 388 H LEU 49 H LEU 49 -10.513 -11.444 13.187 389 HA LEU 49 HA LEU 49 -7.678 -12.206 12.960 390 HB2 LEU 49 HB2 LEU 49 -9.006 -14.233 13.590 391 HB3 LEU 49 HB3 LEU 49 -9.983 -14.029 12.168 392 HG LEU 49 HG LEU 49 -8.126 -14.573 10.699 393 HD11 LEU 49 HD11 LEU 49 -6.326 -14.660 13.143 394 HD12 LEU 49 HD12 LEU 49 -6.275 -13.465 11.847 395 HD13 LEU 49 HD13 LEU 49 -5.870 -15.145 11.508 396 HD21 LEU 49 HD21 LEU 49 -8.189 -16.548 13.008 397 HD22 LEU 49 HD22 LEU 49 -7.643 -16.887 11.363 398 HD23 LEU 49 HD23 LEU 49 -9.332 -16.488 11.661 399 H TYR 50 H TYR 50 -6.893 -12.017 10.928 400 HA TYR 50 HA TYR 50 -8.627 -11.015 8.768 401 HB2 TYR 50 HB2 TYR 50 -5.871 -9.862 9.441 402 HB3 TYR 50 HB3 TYR 50 -7.011 -9.264 8.235 403 HD1 TYR 50 HD1 TYR 50 -9.436 -8.632 9.267 404 HD2 TYR 50 HD2 TYR 50 -5.787 -8.691 11.484 405 HE1 TYR 50 HE1 TYR 50 -10.432 -7.151 10.945 406 HE2 TYR 50 HE2 TYR 50 -6.786 -7.200 13.156 407 HH TYR 50 HH TYR 50 -10.133 -6.523 13.265 408 H GLY 51 H GLY 51 -7.689 -11.372 6.665 409 HA2 GLY 51 HA2 GLY 51 -5.279 -13.015 6.390 410 HA3 GLY 51 HA3 GLY 51 -6.796 -13.744 5.855 411 HA PRO 52 HA PRO 52 -5.150 -10.883 2.434 412 HB2 PRO 52 HB2 PRO 52 -4.413 -12.754 0.568 413 HB3 PRO 52 HB3 PRO 52 -3.296 -12.157 1.803 414 HG2 PRO 52 HG2 PRO 52 -4.897 -14.712 1.771 415 HG3 PRO 52 HG3 PRO 52 -3.200 -14.464 2.238 416 HD2 PRO 52 HD2 PRO 52 -5.223 -14.671 4.072 417 HD3 PRO 52 HD3 PRO 52 -3.764 -13.699 4.364 418 H ALA 53 H ALA 53 -6.988 -10.113 1.522 419 HA ALA 53 HA ALA 53 -9.349 -11.624 1.047 420 HB1 ALA 53 HB1 ALA 53 -9.448 -9.195 1.439 421 HB2 ALA 53 HB2 ALA 53 -10.199 -9.596 -0.105 422 HB3 ALA 53 HB3 ALA 53 -8.579 -8.892 -0.065 423 HA PRO 54 HA PRO 54 -8.352 -13.381 -2.975 424 HB2 PRO 54 HB2 PRO 54 -10.864 -13.747 -4.037 425 HB3 PRO 54 HB3 PRO 54 -10.208 -14.768 -2.749 426 HG2 PRO 54 HG2 PRO 54 -12.108 -12.445 -2.547 427 HG3 PRO 54 HG3 PRO 54 -12.161 -14.010 -1.708 428 HD2 PRO 54 HD2 PRO 54 -11.221 -11.736 -0.519 429 HD3 PRO 54 HD3 PRO 54 -10.603 -13.349 -0.109 430 H GLN 55 H GLN 55 -7.274 -11.514 -3.661 431 HA GLN 55 HA GLN 55 -8.398 -9.161 -4.704 432 HB2 GLN 55 HB2 GLN 55 -6.036 -9.366 -3.938 433 HB3 GLN 55 HB3 GLN 55 -5.679 -10.425 -5.295 434 HG2 GLN 55 HG2 GLN 55 -4.826 -8.226 -5.785 435 HG3 GLN 55 HG3 GLN 55 -6.186 -8.553 -6.858 436 HE21 GLN 55 HE21 GLN 55 -6.535 -6.357 -7.255 437 HE22 GLN 55 HE22 GLN 55 -7.188 -5.286 -6.069 438 H SER 56 H SER 56 -9.876 -9.290 -6.294 439 HA SER 56 HA SER 56 -9.861 -11.185 -8.418 440 HB2 SER 56 HB2 SER 56 -11.768 -9.783 -9.308 441 HB3 SER 56 HB3 SER 56 -11.975 -10.300 -7.636 442 HG SER 56 HG SER 56 -11.069 -7.747 -8.501 443 H PHE 57 H PHE 57 -7.841 -10.990 -9.308 444 HA PHE 57 HA PHE 57 -6.694 -8.601 -10.333 445 HB2 PHE 57 HB2 PHE 57 -5.033 -10.214 -11.422 446 HB3 PHE 57 HB3 PHE 57 -5.169 -10.312 -9.673 447 HD1 PHE 57 HD1 PHE 57 -6.059 -12.047 -12.854 448 HD2 PHE 57 HD2 PHE 57 -5.926 -12.312 -8.586 449 HE1 PHE 57 HE1 PHE 57 -6.536 -14.456 -12.980 450 HE2 PHE 57 HE2 PHE 57 -6.405 -14.714 -8.727 451 HZ PHE 57 HZ PHE 57 -6.712 -15.789 -10.920 452 H ALA 58 H ALA 58 -6.538 -7.855 -12.405 453 HA ALA 58 HA ALA 58 -8.179 -9.122 -14.518 454 HB1 ALA 58 HB1 ALA 58 -7.970 -6.940 -15.673 455 HB2 ALA 58 HB2 ALA 58 -6.979 -6.327 -14.346 456 HB3 ALA 58 HB3 ALA 58 -8.667 -6.747 -14.062 457 H ASP 59 H ASP 59 -6.946 -10.570 -15.631 458 HA ASP 59 HA ASP 59 -5.352 -11.473 -16.981 459 HB2 ASP 59 HB2 ASP 59 -5.587 -9.217 -18.113 460 HB3 ASP 59 HB3 ASP 59 -4.240 -8.632 -17.149 461 H ASP 60 H ASP 60 -4.942 -11.314 -14.071 462 HA ASP 60 HA ASP 60 -3.490 -11.805 -12.421 463 HB2 ASP 60 HB2 ASP 60 -1.755 -12.733 -14.740 464 HB3 ASP 60 HB3 ASP 60 -1.271 -12.941 -13.061 465 H GLU 61 H GLU 61 -3.384 -9.112 -13.825 466 HA GLU 61 HA GLU 61 -0.768 -8.060 -13.539 467 HB2 GLU 61 HB2 GLU 61 -3.516 -6.750 -13.579 468 HB3 GLU 61 HB3 GLU 61 -2.030 -5.817 -13.448 469 HG2 GLU 61 HG2 GLU 61 -2.734 -7.650 -15.765 470 HG3 GLU 61 HG3 GLU 61 -2.925 -5.896 -15.751 471 H ASP 62 H ASP 62 -3.648 -7.864 -11.438 472 HA ASP 62 HA ASP 62 -2.640 -6.175 -9.467 473 HB2 ASP 62 HB2 ASP 62 -4.823 -8.279 -9.208 474 HB3 ASP 62 HB3 ASP 62 -4.537 -6.988 -8.042 475 H ILE 63 H ILE 63 -1.945 -9.506 -9.869 476 HA ILE 63 HA ILE 63 -1.351 -10.450 -7.310 477 HB ILE 63 HB ILE 63 0.151 -11.062 -9.906 478 HG12 ILE 63 HG12 ILE 63 -2.264 -11.397 -10.244 479 HG13 ILE 63 HG13 ILE 63 -1.443 -12.950 -10.223 480 HG21 ILE 63 HG21 ILE 63 0.659 -13.277 -8.901 481 HG22 ILE 63 HG22 ILE 63 -0.094 -12.758 -7.391 482 HG23 ILE 63 HG23 ILE 63 1.362 -11.950 -7.975 483 HD11 ILE 63 HD11 ILE 63 -3.044 -11.755 -7.969 484 HD12 ILE 63 HD12 ILE 63 -2.208 -13.311 -7.929 485 HD13 ILE 63 HD13 ILE 63 -3.538 -13.053 -9.055 486 H MET 64 H MET 64 0.442 -8.361 -9.463 487 HA MET 64 HA MET 64 2.619 -7.872 -7.546 488 HB2 MET 64 HB2 MET 64 4.233 -8.145 -9.566 489 HB3 MET 64 HB3 MET 64 3.578 -9.608 -8.846 490 HG2 MET 64 HG2 MET 64 1.853 -9.678 -10.651 491 HG3 MET 64 HG3 MET 64 2.649 -8.298 -11.411 492 HE1 MET 64 HE1 MET 64 3.401 -11.785 -13.411 493 HE2 MET 64 HE2 MET 64 2.491 -10.280 -13.537 494 HE3 MET 64 HE3 MET 64 2.012 -11.508 -12.361 495 H ARG 65 H ARG 65 0.365 -6.608 -9.671 496 HA ARG 65 HA ARG 65 1.825 -4.083 -10.156 497 HB2 ARG 65 HB2 ARG 65 -0.621 -5.277 -11.520 498 HB3 ARG 65 HB3 ARG 65 -0.079 -3.626 -11.802 499 HG2 ARG 65 HG2 ARG 65 1.664 -6.055 -12.311 500 HG3 ARG 65 HG3 ARG 65 0.621 -5.328 -13.537 501 HD2 ARG 65 HD2 ARG 65 2.912 -3.942 -12.096 502 HD3 ARG 65 HD3 ARG 65 2.927 -4.513 -13.769 503 HE ARG 65 HE ARG 65 1.486 -2.187 -12.696 504 HH11 ARG 65 HH11 ARG 65 2.192 -4.138 -15.528 505 HH12 ARG 65 HH12 ARG 65 1.573 -2.961 -16.637 506 HH21 ARG 65 HH21 ARG 65 0.629 -0.691 -14.144 507 HH22 ARG 65 HH22 ARG 65 0.686 -0.996 -15.852 508 H ALA 66 H ALA 66 -0.247 -5.445 -7.977 509 HA ALA 66 HA ALA 66 -1.097 -2.827 -6.982 510 HB1 ALA 66 HB1 ALA 66 -3.079 -5.114 -7.380 511 HB2 ALA 66 HB2 ALA 66 -3.043 -3.612 -8.306 512 HB3 ALA 66 HB3 ALA 66 -3.416 -3.573 -6.583 513 H GLU 67 H GLU 67 -1.325 -2.773 -4.764 514 HA GLU 67 HA GLU 67 -0.199 -4.776 -3.065 515 HB2 GLU 67 HB2 GLU 67 -0.114 -2.469 -2.362 516 HB3 GLU 67 HB3 GLU 67 -1.838 -2.249 -2.605 517 HG2 GLU 67 HG2 GLU 67 -1.493 -2.268 -0.274 518 HG3 GLU 67 HG3 GLU 67 -2.226 -3.819 -0.656 519 H ARG 68 H ARG 68 -1.235 -6.437 -1.977 520 HA ARG 68 HA ARG 68 -3.978 -7.071 -2.653 521 HB2 ARG 68 HB2 ARG 68 -3.683 -9.163 -1.603 522 HB3 ARG 68 HB3 ARG 68 -2.111 -8.825 -2.300 523 HG2 ARG 68 HG2 ARG 68 -2.202 -7.892 0.476 524 HG3 ARG 68 HG3 ARG 68 -2.700 -9.578 0.385 525 HD2 ARG 68 HD2 ARG 68 -0.388 -9.679 0.771 526 HD3 ARG 68 HD3 ARG 68 -0.518 -9.941 -0.969 527 HE ARG 68 HE ARG 68 -0.168 -7.189 -0.361 528 HH11 ARG 68 HH11 ARG 68 1.692 -10.169 -0.644 529 HH12 ARG 68 HH12 ARG 68 3.190 -9.332 -0.884 530 HH21 ARG 68 HH21 ARG 68 1.778 -6.124 -0.624 531 HH22 ARG 68 HH22 ARG 68 3.241 -7.030 -0.876 532 H ARG 69 H ARG 69 -5.765 -6.635 -1.410 533 HA ARG 69 HA ARG 69 -5.408 -5.228 1.147 534 HB2 ARG 69 HB2 ARG 69 -6.852 -4.253 -0.698 535 HB3 ARG 69 HB3 ARG 69 -7.941 -5.621 -0.512 536 HG2 ARG 69 HG2 ARG 69 -8.679 -4.903 1.615 537 HG3 ARG 69 HG3 ARG 69 -7.296 -3.833 1.839 538 HD2 ARG 69 HD2 ARG 69 -9.377 -2.582 1.407 539 HD3 ARG 69 HD3 ARG 69 -8.167 -2.286 0.162 540 HE ARG 69 HE ARG 69 -9.526 -4.104 -1.106 541 HH11 ARG 69 HH11 ARG 69 -10.925 -1.656 0.984 542 HH12 ARG 69 HH12 ARG 69 -12.392 -1.551 0.068 543 HH21 ARG 69 HH21 ARG 69 -11.471 -3.999 -2.244 544 HH22 ARG 69 HH22 ARG 69 -12.703 -2.878 -1.758 545 H PHE 70 H PHE 70 -6.829 -5.951 2.956 546 HA PHE 70 HA PHE 70 -6.739 -8.901 3.102 547 HB2 PHE 70 HB2 PHE 70 -6.542 -6.708 5.189 548 HB3 PHE 70 HB3 PHE 70 -6.880 -8.374 5.646 549 HD1 PHE 70 HD1 PHE 70 -4.481 -6.864 3.158 550 HD2 PHE 70 HD2 PHE 70 -5.006 -9.268 6.659 551 HE1 PHE 70 HE1 PHE 70 -2.077 -7.351 3.188 552 HE2 PHE 70 HE2 PHE 70 -2.602 -9.742 6.676 553 HZ PHE 70 HZ PHE 70 -1.141 -8.788 4.944 554 H GLU 71 H GLU 71 -8.338 -9.918 4.529 555 HA GLU 71 HA GLU 71 -11.027 -8.718 4.422 556 HB2 GLU 71 HB2 GLU 71 -11.923 -11.007 4.106 557 HB3 GLU 71 HB3 GLU 71 -10.839 -10.561 2.795 558 HG2 GLU 71 HG2 GLU 71 -9.048 -11.934 3.762 559 HG3 GLU 71 HG3 GLU 71 -10.076 -12.340 5.138 560 H THR 72 H THR 72 -12.288 -8.988 6.264 561 HA THR 72 HA THR 72 -10.871 -9.661 8.727 562 HB THR 72 HB THR 72 -13.710 -8.591 8.341 563 HG1 THR 72 HG1 THR 72 -11.470 -7.063 9.150 564 HG21 THR 72 HG21 THR 72 -13.358 -9.621 10.582 565 HG22 THR 72 HG22 THR 72 -13.520 -7.868 10.700 566 HG23 THR 72 HG23 THR 72 -11.926 -8.613 10.817 567 H ARG 73 H ARG 73 -10.835 -11.815 9.215 568 HA ARG 73 HA ARG 73 -12.796 -13.707 8.280 569 HB2 ARG 73 HB2 ARG 73 -10.486 -14.053 10.249 570 HB3 ARG 73 HB3 ARG 73 -11.418 -15.362 9.534 571 HG2 ARG 73 HG2 ARG 73 -9.595 -13.446 8.038 572 HG3 ARG 73 HG3 ARG 73 -9.236 -15.127 8.445 573 HD2 ARG 73 HD2 ARG 73 -11.384 -14.126 6.542 574 HD3 ARG 73 HD3 ARG 73 -9.909 -15.004 6.122 575 HE ARG 73 HE ARG 73 -11.640 -16.437 7.932 576 HH11 ARG 73 HH11 ARG 73 -11.020 -15.805 4.535 577 HH12 ARG 73 HH12 ARG 73 -11.811 -17.258 4.012 578 HH21 ARG 73 HH21 ARG 73 -12.691 -18.290 7.235 579 HH22 ARG 73 HH22 ARG 73 -12.764 -18.662 5.542 580 H LEU 74 H LEU 74 -11.617 -12.912 11.548 581 HA LEU 74 HA LEU 74 -14.264 -13.586 12.712 582 HB2 LEU 74 HB2 LEU 74 -11.471 -13.871 13.896 583 HB3 LEU 74 HB3 LEU 74 -12.962 -14.204 14.766 584 HG LEU 74 HG LEU 74 -12.124 -15.727 12.258 585 HD11 LEU 74 HD11 LEU 74 -10.461 -16.136 13.994 586 HD12 LEU 74 HD12 LEU 74 -11.448 -17.571 13.734 587 HD13 LEU 74 HD13 LEU 74 -11.730 -16.553 15.150 588 HD21 LEU 74 HD21 LEU 74 -14.547 -15.779 12.702 589 HD22 LEU 74 HD22 LEU 74 -14.248 -16.354 14.346 590 HD23 LEU 74 HD23 LEU 74 -13.824 -17.366 12.964 591 H ALA 75 H ALA 75 -14.824 -12.368 14.669 592 HA ALA 75 HA ALA 75 -13.351 -9.950 15.318 593 HB1 ALA 75 HB1 ALA 75 -15.226 -8.405 14.900 594 HB2 ALA 75 HB2 ALA 75 -16.191 -9.723 14.222 595 HB3 ALA 75 HB3 ALA 75 -14.723 -9.188 13.401 596 H GLY 76 H GLY 76 -13.480 -9.616 17.448 597 HA2 GLY 76 HA2 GLY 76 -14.230 -9.506 19.608 598 HA3 GLY 76 HA3 GLY 76 -15.860 -9.743 19.001 599 H VAL 77 H VAL 77 -13.316 -12.044 18.403 600 HA VAL 77 HA VAL 77 -14.686 -14.097 20.032 601 HB VAL 77 HB VAL 77 -13.502 -15.746 18.613 602 HG11 VAL 77 HG11 VAL 77 -14.685 -15.324 16.474 603 HG12 VAL 77 HG12 VAL 77 -14.985 -13.656 16.969 604 HG13 VAL 77 HG13 VAL 77 -15.718 -14.987 17.867 605 HG21 VAL 77 HG21 VAL 77 -12.207 -15.020 16.609 606 HG22 VAL 77 HG22 VAL 77 -11.442 -14.501 18.111 607 HG23 VAL 77 HG23 VAL 77 -12.348 -13.340 17.138 608 H GLU 78 H GLU 78 -12.719 -15.941 20.450 609 HA GLU 78 HA GLU 78 -10.745 -14.554 22.172 610 HB2 GLU 78 HB2 GLU 78 -10.580 -16.684 23.398 611 HB3 GLU 78 HB3 GLU 78 -12.260 -16.158 23.305 612 HG2 GLU 78 HG2 GLU 78 -12.530 -17.735 21.334 613 HG3 GLU 78 HG3 GLU 78 -10.930 -18.367 21.707 614 H GLY 79 H GLY 79 -8.604 -15.714 22.377 615 HA2 GLY 79 HA2 GLY 79 -7.201 -15.857 19.944 616 HA3 GLY 79 HA3 GLY 79 -6.594 -16.382 21.507 617 H GLU 80 H GLU 80 -8.869 -18.358 21.718 618 HA GLU 80 HA GLU 80 -7.600 -20.609 20.505 619 HB2 GLU 80 HB2 GLU 80 -8.841 -20.765 22.645 620 HB3 GLU 80 HB3 GLU 80 -10.349 -20.412 21.807 621 HG2 GLU 80 HG2 GLU 80 -10.198 -22.516 20.567 622 HG3 GLU 80 HG3 GLU 80 -8.612 -22.846 21.261 623 H GLU 81 H GLU 81 -10.506 -18.687 19.724 624 HA GLU 81 HA GLU 81 -11.375 -20.198 17.481 625 HB2 GLU 81 HB2 GLU 81 -11.765 -17.234 18.063 626 HB3 GLU 81 HB3 GLU 81 -12.619 -18.131 16.811 627 HG2 GLU 81 HG2 GLU 81 -12.831 -18.560 19.802 628 HG3 GLU 81 HG3 GLU 81 -14.036 -17.811 18.759 629 H ILE 82 H ILE 82 -9.052 -17.590 17.864 630 HA ILE 82 HA ILE 82 -8.569 -16.975 15.148 631 HB ILE 82 HB ILE 82 -6.588 -16.770 17.469 632 HG12 ILE 82 HG12 ILE 82 -8.627 -15.549 18.083 633 HG13 ILE 82 HG13 ILE 82 -7.357 -14.393 17.710 634 HG21 ILE 82 HG21 ILE 82 -5.526 -14.968 16.146 635 HG22 ILE 82 HG22 ILE 82 -6.657 -15.274 14.827 636 HG23 ILE 82 HG23 ILE 82 -5.494 -16.512 15.298 637 HD11 ILE 82 HD11 ILE 82 -8.373 -14.038 15.496 638 HD12 ILE 82 HD12 ILE 82 -9.455 -13.647 16.830 639 HD13 ILE 82 HD13 ILE 82 -9.673 -15.150 15.936 640 H ALA 83 H ALA 83 -6.731 -19.025 17.421 641 HA ALA 83 HA ALA 83 -4.892 -20.132 15.587 642 HB1 ALA 83 HB1 ALA 83 -5.852 -21.275 18.232 643 HB2 ALA 83 HB2 ALA 83 -4.532 -20.123 18.021 644 HB3 ALA 83 HB3 ALA 83 -4.390 -21.754 17.364 645 H ALA 84 H ALA 84 -8.170 -20.985 16.404 646 HA ALA 84 HA ALA 84 -8.307 -23.673 15.623 647 HB1 ALA 84 HB1 ALA 84 -10.052 -22.557 16.934 648 HB2 ALA 84 HB2 ALA 84 -10.732 -23.335 15.506 649 HB3 ALA 84 HB3 ALA 84 -10.503 -21.586 15.531 650 H LEU 85 H LEU 85 -8.766 -20.698 13.668 651 HA LEU 85 HA LEU 85 -9.157 -22.215 11.217 652 HB2 LEU 85 HB2 LEU 85 -10.216 -20.002 11.411 653 HB3 LEU 85 HB3 LEU 85 -8.641 -19.247 11.604 654 HG LEU 85 HG LEU 85 -8.364 -20.678 9.195 655 HD11 LEU 85 HD11 LEU 85 -10.194 -20.089 7.748 656 HD12 LEU 85 HD12 LEU 85 -11.114 -19.491 9.131 657 HD13 LEU 85 HD13 LEU 85 -10.674 -21.199 9.029 658 HD21 LEU 85 HD21 LEU 85 -8.385 -18.477 8.078 659 HD22 LEU 85 HD22 LEU 85 -7.368 -18.573 9.514 660 HD23 LEU 85 HD23 LEU 85 -8.939 -17.749 9.595 661 H LEU 86 H LEU 86 -6.519 -20.436 12.792 662 HA LEU 86 HA LEU 86 -4.782 -20.235 10.597 663 HB2 LEU 86 HB2 LEU 86 -4.166 -20.243 13.565 664 HB3 LEU 86 HB3 LEU 86 -2.982 -19.845 12.325 665 HG LEU 86 HG LEU 86 -5.539 -18.301 12.910 666 HD11 LEU 86 HD11 LEU 86 -2.647 -17.526 13.349 667 HD12 LEU 86 HD12 LEU 86 -3.824 -17.930 14.600 668 HD13 LEU 86 HD13 LEU 86 -4.051 -16.488 13.614 669 HD21 LEU 86 HD21 LEU 86 -4.763 -16.687 11.224 670 HD22 LEU 86 HD22 LEU 86 -5.092 -18.263 10.515 671 HD23 LEU 86 HD23 LEU 86 -3.424 -17.759 10.805 672 H GLU 87 H GLU 87 -5.283 -22.884 12.829 673 HA GLU 87 HA GLU 87 -2.999 -24.435 12.105 674 HB2 GLU 87 HB2 GLU 87 -4.218 -26.338 13.160 675 HB3 GLU 87 HB3 GLU 87 -4.153 -24.906 14.182 676 HG2 GLU 87 HG2 GLU 87 -6.479 -24.340 13.493 677 HG3 GLU 87 HG3 GLU 87 -6.538 -25.837 12.560 678 H ARG 88 H ARG 88 -6.231 -24.051 10.772 679 HA ARG 88 HA ARG 88 -6.132 -26.286 8.934 680 HB2 ARG 88 HB2 ARG 88 -8.062 -23.920 9.007 681 HB3 ARG 88 HB3 ARG 88 -8.308 -25.449 8.155 682 HG2 ARG 88 HG2 ARG 88 -8.381 -26.667 10.275 683 HG3 ARG 88 HG3 ARG 88 -8.016 -25.189 11.168 684 HD2 ARG 88 HD2 ARG 88 -10.175 -24.221 10.317 685 HD3 ARG 88 HD3 ARG 88 -10.549 -25.801 9.606 686 HE ARG 88 HE ARG 88 -10.039 -25.430 12.504 687 HH11 ARG 88 HH11 ARG 88 -12.130 -26.677 9.965 688 HH12 ARG 88 HH12 ARG 88 -13.141 -27.536 11.082 689 HH21 ARG 88 HH21 ARG 88 -11.355 -26.567 13.919 690 HH22 ARG 88 HH22 ARG 88 -12.706 -27.474 13.316 691 H GLU 89 H GLU 89 -5.497 -22.828 8.789 692 HA GLU 89 HA GLU 89 -5.191 -22.667 5.944 693 HB2 GLU 89 HB2 GLU 89 -4.360 -20.757 8.169 694 HB3 GLU 89 HB3 GLU 89 -4.185 -20.397 6.450 695 HG2 GLU 89 HG2 GLU 89 -6.777 -20.908 7.932 696 HG3 GLU 89 HG3 GLU 89 -6.177 -19.348 7.368 697 H ARG 90 H ARG 90 -2.977 -22.925 8.708 698 HA ARG 90 HA ARG 90 -0.598 -23.040 7.102 699 HB2 ARG 90 HB2 ARG 90 0.661 -23.507 9.059 700 HB3 ARG 90 HB3 ARG 90 -0.607 -22.387 9.539 701 HG2 ARG 90 HG2 ARG 90 -1.888 -24.289 10.485 702 HG3 ARG 90 HG3 ARG 90 -0.560 -25.366 10.056 703 HD2 ARG 90 HD2 ARG 90 0.952 -24.023 11.521 704 HD3 ARG 90 HD3 ARG 90 -0.440 -23.042 12.003 705 HE ARG 90 HE ARG 90 -0.933 -25.821 12.436 706 HH11 ARG 90 HH11 ARG 90 0.719 -23.066 13.867 707 HH12 ARG 90 HH12 ARG 90 0.756 -23.769 15.450 708 HH21 ARG 90 HH21 ARG 90 -0.840 -26.725 14.514 709 HH22 ARG 90 HH22 ARG 90 -0.118 -25.833 15.815 710 H ARG 91 H ARG 91 -2.875 -25.432 8.191 711 HA ARG 91 HA ARG 91 -1.602 -27.867 7.729 712 HB2 ARG 91 HB2 ARG 91 -3.966 -27.420 8.623 713 HB3 ARG 91 HB3 ARG 91 -4.471 -27.173 6.952 714 HG2 ARG 91 HG2 ARG 91 -3.854 -29.520 6.440 715 HG3 ARG 91 HG3 ARG 91 -3.414 -29.762 8.137 716 HD2 ARG 91 HD2 ARG 91 -5.774 -29.108 8.763 717 HD3 ARG 91 HD3 ARG 91 -6.160 -29.070 7.037 718 HE ARG 91 HE ARG 91 -5.058 -31.561 8.111 719 HH11 ARG 91 HH11 ARG 91 -7.930 -29.853 7.005 720 HH12 ARG 91 HH12 ARG 91 -8.902 -31.287 6.950 721 HH21 ARG 91 HH21 ARG 91 -6.349 -33.418 8.033 722 HH22 ARG 91 HH22 ARG 91 -8.010 -33.301 7.535 723 H PHE 92 H PHE 92 -3.388 -25.775 5.506 724 HA PHE 92 HA PHE 92 -2.920 -27.400 3.172 725 HB2 PHE 92 HB2 PHE 92 -5.010 -25.995 3.641 726 HB3 PHE 92 HB3 PHE 92 -4.045 -24.561 3.304 727 HD1 PHE 92 HD2 PHE 92 -5.420 -27.673 1.869 728 HD2 PHE 92 HD1 PHE 92 -3.530 -23.932 0.996 729 HE1 PHE 92 HE2 PHE 92 -5.881 -27.984 -0.541 730 HE2 PHE 92 HE1 PHE 92 -3.988 -24.259 -1.400 731 HZ PHE 92 HZ PHE 92 -5.162 -26.282 -2.173 732 H ASP 93 H ASP 93 -1.845 -24.255 4.370 733 HA ASP 93 HA ASP 93 0.536 -24.247 2.672 734 HB2 ASP 93 HB2 ASP 93 -1.095 -22.997 1.336 735 HB3 ASP 93 HB3 ASP 93 -1.561 -22.026 2.727 736 H SER 94 H SER 94 1.916 -24.410 4.401 737 HA SER 94 HA SER 94 1.617 -22.897 6.838 738 HB2 SER 94 HB2 SER 94 2.626 -25.195 6.770 739 HB3 SER 94 HB3 SER 94 4.007 -24.543 5.891 740 HG SER 94 HG SER 94 4.385 -24.705 8.153 741 H ASP 95 H ASP 95 2.613 -21.985 3.795 742 HA ASP 95 HA ASP 95 4.759 -20.171 4.492 743 HB2 ASP 95 HB2 ASP 95 3.142 -20.599 1.955 744 HB3 ASP 95 HB3 ASP 95 4.368 -19.340 2.093 745 H LEU 96 H LEU 96 1.613 -19.973 5.400 746 HA LEU 96 HA LEU 96 1.242 -17.145 4.953 747 HB2 LEU 96 HB2 LEU 96 -0.693 -17.233 6.269 748 HB3 LEU 96 HB3 LEU 96 -0.657 -18.817 5.518 749 HG LEU 96 HG LEU 96 0.325 -18.313 8.357 750 HD11 LEU 96 HD11 LEU 96 -1.789 -19.204 9.181 751 HD12 LEU 96 HD12 LEU 96 -2.409 -19.310 7.529 752 HD13 LEU 96 HD13 LEU 96 -2.050 -17.734 8.239 753 HD21 LEU 96 HD21 LEU 96 -0.424 -20.882 6.960 754 HD22 LEU 96 HD22 LEU 96 0.130 -20.710 8.629 755 HD23 LEU 96 HD23 LEU 96 1.217 -20.323 7.300 756 H TRP 97 H TRP 97 1.210 -15.606 6.705 757 HA TRP 97 HA TRP 97 3.259 -16.015 8.799 758 HB2 TRP 97 HB2 TRP 97 2.280 -13.456 7.425 759 HB3 TRP 97 HB3 TRP 97 3.409 -13.488 8.777 760 HD1 TRP 97 HD1 TRP 97 3.354 -15.332 5.319 761 HE1 TRP 97 HE1 TRP 97 5.681 -15.122 4.278 762 HE3 TRP 97 HE3 TRP 97 5.601 -12.496 8.927 763 HZ2 TRP 97 HZ2 TRP 97 8.141 -13.893 4.868 764 HZ3 TRP 97 HZ3 TRP 97 7.947 -11.826 8.610 765 HH2 TRP 97 HH2 TRP 97 9.192 -12.511 6.618 766 H VAL 98 H VAL 98 2.553 -15.804 10.905 767 HA VAL 98 HA VAL 98 -0.200 -14.789 11.359 768 HB VAL 98 HB VAL 98 1.397 -16.762 13.053 769 HG11 VAL 98 HG11 VAL 98 -0.638 -16.875 14.495 770 HG12 VAL 98 HG12 VAL 98 -1.346 -15.552 13.561 771 HG13 VAL 98 HG13 VAL 98 0.111 -15.277 14.519 772 HG21 VAL 98 HG21 VAL 98 0.412 -17.797 11.033 773 HG22 VAL 98 HG22 VAL 98 -1.173 -17.138 11.449 774 HG23 VAL 98 HG23 VAL 98 -0.426 -18.360 12.482 775 H VAL 99 H VAL 99 -0.342 -12.930 12.387 776 HA VAL 99 HA VAL 99 1.959 -11.893 13.954 777 HB VAL 99 HB VAL 99 0.120 -10.046 12.371 778 HG11 VAL 99 HG11 VAL 99 1.528 -9.004 14.085 779 HG12 VAL 99 HG12 VAL 99 2.027 -8.482 12.473 780 HG13 VAL 99 HG13 VAL 99 2.975 -9.692 13.339 781 HG21 VAL 99 HG21 VAL 99 2.651 -11.294 11.235 782 HG22 VAL 99 HG22 VAL 99 1.719 -9.999 10.480 783 HG23 VAL 99 HG23 VAL 99 1.004 -11.600 10.678 784 H GLU 100 H GLU 100 1.343 -11.371 16.022 785 HA GLU 100 HA GLU 100 -1.507 -10.825 16.562 786 HB2 GLU 100 HB2 GLU 100 -0.993 -11.036 18.936 787 HB3 GLU 100 HB3 GLU 100 -0.437 -12.465 18.078 788 HG2 GLU 100 HG2 GLU 100 1.876 -11.745 18.251 789 HG3 GLU 100 HG3 GLU 100 1.386 -10.186 18.915 790 H ILE 101 H ILE 101 -2.176 -8.774 16.719 791 HA ILE 101 HA ILE 101 -0.261 -6.648 17.486 792 HB ILE 101 HB ILE 101 -1.407 -5.009 16.083 793 HG12 ILE 101 HG12 ILE 101 -3.203 -7.246 15.029 794 HG13 ILE 101 HG13 ILE 101 -3.726 -6.011 16.156 795 HG21 ILE 101 HG21 ILE 101 -0.728 -7.467 14.414 796 HG22 ILE 101 HG22 ILE 101 0.422 -6.279 15.015 797 HG23 ILE 101 HG23 ILE 101 -0.781 -5.803 13.824 798 HD11 ILE 101 HD11 ILE 101 -3.309 -4.295 14.461 799 HD12 ILE 101 HD12 ILE 101 -4.468 -5.512 13.927 800 HD13 ILE 101 HD13 ILE 101 -2.811 -5.556 13.329 801 H GLU 102 H GLU 102 -1.001 -5.202 19.029 802 HA GLU 102 HA GLU 102 -3.650 -5.726 20.261 803 HB2 GLU 102 HB2 GLU 102 -1.406 -6.393 21.540 804 HB3 GLU 102 HB3 GLU 102 -1.270 -4.671 21.848 805 HG2 GLU 102 HG2 GLU 102 -3.505 -6.520 22.743 806 HG3 GLU 102 HG3 GLU 102 -2.255 -5.815 23.760 807 H THR 103 H THR 103 -4.914 -4.027 19.767 808 HA THR 103 HA THR 103 -4.084 -1.301 20.087 809 HB THR 103 HB THR 103 -2.990 -1.638 17.935 810 HG1 THR 103 HG1 THR 103 -4.962 -0.293 16.755 811 HG21 THR 103 HG21 THR 103 -4.192 -2.342 15.910 812 HG22 THR 103 HG22 THR 103 -5.673 -2.573 16.841 813 HG23 THR 103 HG23 THR 103 -4.273 -3.611 17.135 814 H ASP 104 H ASP 104 -5.793 0.200 19.706 815 HA ASP 104 HA ASP 104 -8.309 -0.819 20.646 816 HB2 ASP 104 HB2 ASP 104 -7.234 1.326 21.432 817 HB3 ASP 104 HB3 ASP 104 -7.561 2.029 19.852 818 H GLU 105 H GLU 105 -7.148 0.690 17.637 819 HA GLU 105 HA GLU 105 -9.603 -0.216 16.239 820 HB2 GLU 105 HB2 GLU 105 -9.532 1.726 14.786 821 HB3 GLU 105 HB3 GLU 105 -9.619 2.265 16.456 822 HG2 GLU 105 HG2 GLU 105 -7.492 3.186 16.438 823 HG3 GLU 105 HG3 GLU 105 -6.882 2.062 15.226 824 H ILE 106 H ILE 106 -9.266 -0.556 13.899 825 HA ILE 106 HA ILE 106 -6.604 -1.748 13.350 826 HB ILE 106 HB ILE 106 -8.491 -3.361 13.473 827 HG12 ILE 106 HG12 ILE 106 -8.120 -4.496 11.226 828 HG13 ILE 106 HG13 ILE 106 -7.255 -3.058 10.687 829 HG21 ILE 106 HG21 ILE 106 -10.347 -1.946 12.761 830 HG22 ILE 106 HG22 ILE 106 -10.282 -3.398 11.762 831 HG23 ILE 106 HG23 ILE 106 -9.695 -1.862 11.122 832 HD11 ILE 106 HD11 ILE 106 -6.462 -4.821 13.003 833 HD12 ILE 106 HD12 ILE 106 -5.574 -3.419 12.400 834 HD13 ILE 106 HD13 ILE 106 -5.765 -4.844 11.385 835 H GLY 107 H GLY 107 -8.822 0.698 12.340 836 HA2 GLY 107 HA2 GLY 107 -8.624 0.516 9.531 837 HA3 GLY 107 HA3 GLY 107 -9.240 1.883 10.436 838 H THR 108 H THR 108 -6.641 2.249 11.854 839 HA THR 108 HA THR 108 -5.451 4.009 9.871 840 HB THR 108 HB THR 108 -5.884 4.777 12.198 841 HG1 THR 108 HG1 THR 108 -3.707 5.185 10.752 842 HG21 THR 108 HG21 THR 108 -4.396 4.118 14.049 843 HG22 THR 108 HG22 THR 108 -3.610 2.928 13.012 844 HG23 THR 108 HG23 THR 108 -5.306 2.724 13.456 845 H LEU 109 H LEU 109 -4.740 0.836 11.103 846 HA LEU 109 HA LEU 109 -1.863 1.053 10.371 847 HB2 LEU 109 HB2 LEU 109 -1.519 -0.604 12.333 848 HB3 LEU 109 HB3 LEU 109 -1.805 1.082 12.698 849 HG LEU 109 HG LEU 109 -4.341 0.320 12.964 850 HD11 LEU 109 HD11 LEU 109 -2.960 -2.314 13.517 851 HD12 LEU 109 HD12 LEU 109 -4.048 -1.980 12.166 852 HD13 LEU 109 HD13 LEU 109 -4.655 -1.925 13.819 853 HD21 LEU 109 HD21 LEU 109 -4.005 -0.056 15.353 854 HD22 LEU 109 HD22 LEU 109 -2.993 1.262 14.771 855 HD23 LEU 109 HD23 LEU 109 -2.279 -0.320 15.088 856 H LEU 110 H LEU 110 -4.661 -0.476 9.524 857 HA LEU 110 HA LEU 110 -3.233 -2.219 7.723 858 HB2 LEU 110 HB2 LEU 110 -3.485 -3.650 9.804 859 HB3 LEU 110 HB3 LEU 110 -5.226 -3.456 9.685 860 HG LEU 110 HG LEU 110 -5.168 -4.640 7.468 861 HD11 LEU 110 HD11 LEU 110 -2.252 -5.149 8.093 862 HD12 LEU 110 HD12 LEU 110 -2.886 -4.151 6.782 863 HD13 LEU 110 HD13 LEU 110 -3.175 -5.889 6.782 864 HD21 LEU 110 HD21 LEU 110 -4.009 -6.254 9.769 865 HD22 LEU 110 HD22 LEU 110 -4.848 -6.909 8.361 866 HD23 LEU 110 HD23 LEU 110 -5.721 -5.899 9.510 867 H THR 111 H THR 111 -4.593 -2.821 5.936 868 HA THR 111 HA THR 111 -7.151 -1.326 5.775 869 HB THR 111 HB THR 111 -5.324 -2.081 3.446 870 HG1 THR 111 HG1 THR 111 -5.258 0.010 5.241 871 HG21 THR 111 HG21 THR 111 -6.694 -0.441 2.191 872 HG22 THR 111 HG22 THR 111 -7.690 -0.170 3.625 873 HG23 THR 111 HG23 THR 111 -7.706 -1.744 2.829 874 H LEU 112 H LEU 112 -8.961 -2.401 5.223 875 HA LEU 112 HA LEU 112 -8.848 -5.292 4.558 876 HB2 LEU 112 HB2 LEU 112 -10.782 -3.995 6.522 877 HB3 LEU 112 HB3 LEU 112 -10.657 -5.709 6.152 878 HG LEU 112 HG LEU 112 -8.336 -4.202 7.397 879 HD11 LEU 112 HD11 LEU 112 -10.537 -5.579 8.918 880 HD12 LEU 112 HD12 LEU 112 -10.211 -3.842 8.869 881 HD13 LEU 112 HD13 LEU 112 -9.036 -4.935 9.594 882 HD21 LEU 112 HD21 LEU 112 -7.651 -6.409 8.185 883 HD22 LEU 112 HD22 LEU 112 -7.796 -6.355 6.434 884 HD23 LEU 112 HD23 LEU 112 -9.054 -7.135 7.391 885 H VAL 113 H VAL 113 -10.985 -6.097 3.775 886 HA VAL 113 HA VAL 113 -12.293 -4.202 1.930 887 HB VAL 113 HB VAL 113 -13.212 -6.257 0.805 888 HG11 VAL 113 HG11 VAL 113 -11.108 -5.328 -0.046 889 HG12 VAL 113 HG12 VAL 113 -11.101 -7.083 -0.190 890 HG13 VAL 113 HG13 VAL 113 -10.185 -6.300 1.101 891 HG21 VAL 113 HG21 VAL 113 -12.363 -8.498 1.400 892 HG22 VAL 113 HG22 VAL 113 -13.256 -7.787 2.748 893 HG23 VAL 113 HG23 VAL 113 -11.489 -7.811 2.769 894 H ASP 114 H ASP 114 -12.813 -5.531 4.991 895 HA ASP 114 HA ASP 114 -15.747 -5.783 4.667 896 HB2 ASP 114 HB2 ASP 114 -14.556 -7.866 5.333 897 HB3 ASP 114 HB3 ASP 114 -13.926 -7.050 6.760 898 H GLN 115 H GLN 115 -13.396 -4.931 7.272 899 HA GLN 115 HA GLN 115 -15.224 -3.544 8.898 900 HB2 GLN 115 HB2 GLN 115 -12.185 -3.359 8.753 901 HB3 GLN 115 HB3 GLN 115 -13.138 -2.577 10.008 902 HG2 GLN 115 HG2 GLN 115 -13.052 -5.567 9.519 903 HG3 GLN 115 HG3 GLN 115 -12.098 -4.713 10.728 904 HE21 GLN 115 HE21 GLN 115 -13.160 -3.827 12.546 905 HE22 GLN 115 HE22 GLN 115 -14.722 -4.379 13.031 906 HA PRO 116 HA PRO 116 -15.572 0.784 7.376 907 HB2 PRO 116 HB2 PRO 116 -14.686 1.349 10.226 908 HB3 PRO 116 HB3 PRO 116 -15.961 2.130 9.275 909 HG2 PRO 116 HG2 PRO 116 -16.608 0.304 11.102 910 HG3 PRO 116 HG3 PRO 116 -17.440 0.322 9.530 911 HD2 PRO 116 HD2 PRO 116 -15.327 -1.568 10.531 912 HD3 PRO 116 HD3 PRO 116 -16.694 -1.875 9.440 913 H GLN 117 H GLN 117 -14.077 1.818 6.208 914 HA GLN 117 HA GLN 117 -11.214 1.828 7.011 915 HB2 GLN 117 HB2 GLN 117 -12.368 1.812 4.178 916 HB3 GLN 117 HB3 GLN 117 -10.656 1.800 4.597 917 HG2 GLN 117 HG2 GLN 117 -12.657 -0.400 5.175 918 HG3 GLN 117 HG3 GLN 117 -11.410 -0.423 3.929 919 HE21 GLN 117 HE21 GLN 117 -11.962 -2.109 6.350 920 HE22 GLN 117 HE22 GLN 117 -10.455 -2.180 7.191 921 H ALA 118 H ALA 118 -9.993 3.641 5.790 922 HA ALA 118 HA ALA 118 -11.231 6.158 6.552 923 HB1 ALA 118 HB1 ALA 118 -8.924 5.666 7.236 924 HB2 ALA 118 HB2 ALA 118 -8.986 7.112 6.226 925 HB3 ALA 118 HB3 ALA 118 -8.419 5.582 5.549 Start of MODEL 10 1 H MET 1 H MET 1 1.855 1.412 -2.723 2 HA MET 1 HA MET 1 3.771 1.193 -1.380 3 HB2 MET 1 HB2 MET 1 2.198 -0.968 0.061 4 HB3 MET 1 HB3 MET 1 3.938 -0.751 0.235 5 HG2 MET 1 HG2 MET 1 1.780 1.209 1.054 6 HG3 MET 1 HG3 MET 1 2.833 0.274 2.116 7 HE1 MET 1 HE1 MET 1 6.350 1.975 1.335 8 HE2 MET 1 HE2 MET 1 5.677 0.594 0.471 9 HE3 MET 1 HE3 MET 1 5.538 0.689 2.228 10 H ARG 2 H ARG 2 2.069 -1.860 -1.910 11 HA ARG 2 HA ARG 2 2.567 -3.720 -2.989 12 HB2 ARG 2 HB2 ARG 2 3.939 -1.883 -4.968 13 HB3 ARG 2 HB3 ARG 2 3.619 -3.593 -5.259 14 HG2 ARG 2 HG2 ARG 2 1.214 -3.201 -5.165 15 HG3 ARG 2 HG3 ARG 2 1.473 -1.508 -4.736 16 HD2 ARG 2 HD2 ARG 2 2.314 -2.809 -7.349 17 HD3 ARG 2 HD3 ARG 2 0.885 -1.799 -7.114 18 HE ARG 2 HE ARG 2 3.484 -0.628 -6.461 19 HH11 ARG 2 HH11 ARG 2 0.831 -0.805 -8.760 20 HH12 ARG 2 HH12 ARG 2 1.295 0.649 -9.581 21 HH21 ARG 2 HH21 ARG 2 4.077 1.260 -7.538 22 HH22 ARG 2 HH22 ARG 2 3.140 1.826 -8.882 23 H LEU 3 H LEU 3 3.747 -4.627 -1.437 24 HA LEU 3 HA LEU 3 6.635 -4.883 -1.838 25 HB2 LEU 3 HB2 LEU 3 6.714 -4.815 0.837 26 HB3 LEU 3 HB3 LEU 3 6.876 -3.361 -0.124 27 HG LEU 3 HG LEU 3 4.506 -2.778 0.315 28 HD11 LEU 3 HD11 LEU 3 4.426 -5.223 2.081 29 HD12 LEU 3 HD12 LEU 3 3.530 -4.975 0.580 30 HD13 LEU 3 HD13 LEU 3 3.183 -3.970 1.985 31 HD21 LEU 3 HD21 LEU 3 4.728 -2.171 2.683 32 HD22 LEU 3 HD22 LEU 3 6.233 -1.889 1.813 33 HD23 LEU 3 HD23 LEU 3 6.075 -3.301 2.861 34 H LYS 4 H LYS 4 7.490 -6.788 -0.573 35 HA LYS 4 HA LYS 4 5.837 -9.066 -1.098 36 HB2 LYS 4 HB2 LYS 4 7.727 -10.411 -0.584 37 HB3 LYS 4 HB3 LYS 4 8.386 -8.960 -1.327 38 HG2 LYS 4 HG2 LYS 4 9.020 -8.102 0.892 39 HG3 LYS 4 HG3 LYS 4 8.318 -9.537 1.643 40 HD2 LYS 4 HD2 LYS 4 10.691 -9.878 1.548 41 HD3 LYS 4 HD3 LYS 4 9.945 -10.944 0.355 42 HE2 LYS 4 HE2 LYS 4 10.560 -9.315 -1.436 43 HE3 LYS 4 HE3 LYS 4 11.353 -8.309 -0.221 44 HZ1 LYS 4 HZ1 LYS 4 12.113 -11.057 -1.045 45 HZ2 LYS 4 HZ2 LYS 4 12.795 -10.257 0.279 46 HZ3 LYS 4 HZ3 LYS 4 12.997 -9.632 -1.283 47 H SER 5 H SER 5 5.619 -10.842 0.639 48 HA SER 5 HA SER 5 3.825 -9.937 2.617 49 HB2 SER 5 HB2 SER 5 5.188 -12.643 2.358 50 HB3 SER 5 HB3 SER 5 3.688 -12.315 3.220 51 HG SER 5 HG SER 5 3.373 -13.156 1.099 52 H GLU 6 H GLU 6 7.220 -10.928 2.813 53 HA GLU 6 HA GLU 6 7.536 -10.819 5.641 54 HB2 GLU 6 HB2 GLU 6 9.134 -12.027 4.247 55 HB3 GLU 6 HB3 GLU 6 9.523 -10.576 3.335 56 HG2 GLU 6 HG2 GLU 6 10.654 -9.598 5.250 57 HG3 GLU 6 HG3 GLU 6 10.125 -10.918 6.287 58 H MET 7 H MET 7 7.879 -8.429 3.063 59 HA MET 7 HA MET 7 8.890 -6.354 4.792 60 HB2 MET 7 HB2 MET 7 9.443 -6.459 2.353 61 HB3 MET 7 HB3 MET 7 7.754 -6.133 1.968 62 HG2 MET 7 HG2 MET 7 9.201 -4.134 1.800 63 HG3 MET 7 HG3 MET 7 7.893 -3.944 2.972 64 HE1 MET 7 HE1 MET 7 8.528 -2.385 4.862 65 HE2 MET 7 HE2 MET 7 9.607 -1.732 3.624 66 HE3 MET 7 HE3 MET 7 10.204 -2.006 5.261 67 H PHE 8 H PHE 8 5.772 -7.588 3.914 68 HA PHE 8 HA PHE 8 4.215 -5.230 4.383 69 HB2 PHE 8 HB2 PHE 8 3.424 -7.163 2.945 70 HB3 PHE 8 HB3 PHE 8 3.270 -8.142 4.402 71 HD1 PHE 8 HD2 PHE 8 1.470 -7.609 6.081 72 HD2 PHE 8 HD1 PHE 8 1.778 -5.452 2.403 73 HE1 PHE 8 HE2 PHE 8 -0.790 -6.700 6.409 74 HE2 PHE 8 HE1 PHE 8 -0.474 -4.549 2.744 75 HZ PHE 8 HZ PHE 8 -1.762 -5.168 4.743 76 H VAL 9 H VAL 9 5.017 -8.181 6.248 77 HA VAL 9 HA VAL 9 3.617 -7.436 8.612 78 HB VAL 9 HB VAL 9 4.891 -9.186 9.784 79 HG11 VAL 9 HG11 VAL 9 4.177 -11.124 8.444 80 HG12 VAL 9 HG12 VAL 9 3.959 -10.070 7.044 81 HG13 VAL 9 HG13 VAL 9 2.946 -9.858 8.475 82 HG21 VAL 9 HG21 VAL 9 6.601 -10.548 8.673 83 HG22 VAL 9 HG22 VAL 9 7.112 -8.867 8.777 84 HG23 VAL 9 HG23 VAL 9 6.516 -9.512 7.247 85 H SER 10 H SER 10 6.967 -6.922 7.541 86 HA SER 10 HA SER 10 8.050 -5.810 9.883 87 HB2 SER 10 HB2 SER 10 8.730 -5.167 6.978 88 HB3 SER 10 HB3 SER 10 9.735 -4.754 8.368 89 HG SER 10 HG SER 10 8.948 -7.408 7.794 90 H ALA 11 H ALA 11 6.414 -4.274 7.136 91 HA ALA 11 HA ALA 11 6.497 -1.597 8.101 92 HB1 ALA 11 HB1 ALA 11 4.894 -1.125 6.285 93 HB2 ALA 11 HB2 ALA 11 4.644 -2.858 6.044 94 HB3 ALA 11 HB3 ALA 11 6.221 -2.138 5.712 95 H LEU 12 H LEU 12 4.154 -4.228 8.412 96 HA LEU 12 HA LEU 12 1.871 -2.819 9.254 97 HB2 LEU 12 HB2 LEU 12 2.236 -5.328 8.509 98 HB3 LEU 12 HB3 LEU 12 2.468 -5.623 10.219 99 HG LEU 12 HG LEU 12 -0.070 -4.477 8.975 100 HD11 LEU 12 HD11 LEU 12 -1.081 -6.672 9.334 101 HD12 LEU 12 HD12 LEU 12 0.461 -7.304 9.922 102 HD13 LEU 12 HD13 LEU 12 0.302 -6.775 8.245 103 HD21 LEU 12 HD21 LEU 12 0.156 -3.788 11.322 104 HD22 LEU 12 HD22 LEU 12 0.370 -5.470 11.813 105 HD23 LEU 12 HD23 LEU 12 -1.168 -4.936 11.124 106 H ILE 13 H ILE 13 4.491 -4.300 11.035 107 HA ILE 13 HA ILE 13 3.619 -3.822 13.660 108 HB ILE 13 HB ILE 13 6.405 -4.181 12.486 109 HG12 ILE 13 HG12 ILE 13 4.693 -6.187 14.021 110 HG13 ILE 13 HG13 ILE 13 4.656 -6.060 12.270 111 HG21 ILE 13 HG21 ILE 13 7.202 -4.724 14.762 112 HG22 ILE 13 HG22 ILE 13 5.630 -4.273 15.423 113 HG23 ILE 13 HG23 ILE 13 6.646 -3.050 14.657 114 HD11 ILE 13 HD11 ILE 13 7.035 -6.802 13.945 115 HD12 ILE 13 HD12 ILE 13 7.000 -6.669 12.182 116 HD13 ILE 13 HD13 ILE 13 6.012 -7.883 12.995 117 H ARG 14 H ARG 14 5.660 -1.840 11.482 118 HA ARG 14 HA ARG 14 6.053 0.287 13.382 119 HB2 ARG 14 HB2 ARG 14 6.548 0.083 10.396 120 HB3 ARG 14 HB3 ARG 14 6.706 1.628 11.218 121 HG2 ARG 14 HG2 ARG 14 8.901 0.631 11.026 122 HG3 ARG 14 HG3 ARG 14 8.428 0.628 12.726 123 HD2 ARG 14 HD2 ARG 14 7.750 -1.769 12.470 124 HD3 ARG 14 HD3 ARG 14 8.363 -1.721 10.817 125 HE ARG 14 HE ARG 14 10.307 -0.956 12.794 126 HH11 ARG 14 HH11 ARG 14 8.936 -3.665 11.039 127 HH12 ARG 14 HH12 ARG 14 10.257 -4.727 11.395 128 HH21 ARG 14 HH21 ARG 14 12.022 -2.363 13.292 129 HH22 ARG 14 HH22 ARG 14 12.011 -3.985 12.673 130 H ARG 15 H ARG 15 3.494 -0.500 11.147 131 HA ARG 15 HA ARG 15 2.199 2.035 11.021 132 HB2 ARG 15 HB2 ARG 15 1.022 -0.757 10.714 133 HB3 ARG 15 HB3 ARG 15 0.136 0.730 10.395 134 HG2 ARG 15 HG2 ARG 15 1.917 1.243 8.625 135 HG3 ARG 15 HG3 ARG 15 2.463 -0.424 8.838 136 HD2 ARG 15 HD2 ARG 15 0.905 -0.282 6.941 137 HD3 ARG 15 HD3 ARG 15 0.168 -1.233 8.244 138 HE ARG 15 HE ARG 15 -0.611 1.403 8.642 139 HH11 ARG 15 HH11 ARG 15 -1.091 -0.931 6.059 140 HH12 ARG 15 HH12 ARG 15 -2.665 -0.331 5.666 141 HH21 ARG 15 HH21 ARG 15 -2.656 2.141 8.152 142 HH22 ARG 15 HH22 ARG 15 -3.562 1.418 6.864 143 H VAL 16 H VAL 16 1.819 -0.782 13.204 144 HA VAL 16 HA VAL 16 -0.380 0.367 14.653 145 HB VAL 16 HB VAL 16 -0.310 -1.485 16.160 146 HG11 VAL 16 HG11 VAL 16 -0.350 -3.443 14.693 147 HG12 VAL 16 HG12 VAL 16 0.557 -2.567 13.457 148 HG13 VAL 16 HG13 VAL 16 -1.073 -2.055 13.880 149 HG21 VAL 16 HG21 VAL 16 1.529 -3.077 16.350 150 HG22 VAL 16 HG22 VAL 16 2.097 -1.449 16.708 151 HG23 VAL 16 HG23 VAL 16 2.458 -2.185 15.147 152 H PHE 17 H PHE 17 3.137 0.277 15.139 153 HA PHE 17 HA PHE 17 3.142 1.540 17.707 154 HB2 PHE 17 HB2 PHE 17 5.295 0.985 15.642 155 HB3 PHE 17 HB3 PHE 17 5.644 2.026 17.019 156 HD1 PHE 17 HD2 PHE 17 5.501 1.098 19.350 157 HD2 PHE 17 HD1 PHE 17 5.168 -1.433 15.937 158 HE1 PHE 17 HE2 PHE 17 5.942 -0.867 20.753 159 HE2 PHE 17 HE1 PHE 17 5.596 -3.394 17.343 160 HZ PHE 17 HZ PHE 17 5.991 -3.119 19.754 161 H ALA 18 H ALA 18 3.052 2.745 14.396 162 HA ALA 18 HA ALA 18 3.411 5.516 14.946 163 HB1 ALA 18 HB1 ALA 18 2.270 5.896 12.790 164 HB2 ALA 18 HB2 ALA 18 1.743 4.210 12.760 165 HB3 ALA 18 HB3 ALA 18 3.460 4.600 12.655 166 H ALA 19 H ALA 19 0.614 3.350 15.188 167 HA ALA 19 HA ALA 19 -1.277 5.411 15.973 168 HB1 ALA 19 HB1 ALA 19 -2.823 3.534 16.391 169 HB2 ALA 19 HB2 ALA 19 -1.502 2.382 16.165 170 HB3 ALA 19 HB3 ALA 19 -2.045 3.379 14.817 171 H GLY 20 H GLY 20 1.076 3.429 17.600 172 HA2 GLY 20 HA2 GLY 20 1.819 3.982 19.819 173 HA3 GLY 20 HA3 GLY 20 0.179 4.428 20.256 174 H GLY 21 H GLY 21 -0.134 1.674 18.482 175 HA2 GLY 21 HA2 GLY 21 -0.552 -0.066 20.754 176 HA3 GLY 21 HA3 GLY 21 -0.800 -0.454 19.060 177 H PHE 22 H PHE 22 0.127 -2.533 19.706 178 HA PHE 22 HA PHE 22 3.098 -2.617 19.708 179 HB2 PHE 22 HB2 PHE 22 2.332 -3.183 21.983 180 HB3 PHE 22 HB3 PHE 22 1.175 -4.346 21.352 181 HD1 PHE 22 HD1 PHE 22 4.852 -3.649 21.549 182 HD2 PHE 22 HD2 PHE 22 1.819 -6.633 21.119 183 HE1 PHE 22 HE1 PHE 22 6.558 -5.410 21.707 184 HE2 PHE 22 HE2 PHE 22 3.532 -8.392 21.281 185 HZ PHE 22 HZ PHE 22 5.902 -7.781 21.573 186 H ALA 23 H ALA 23 3.984 -4.535 18.680 187 HA ALA 23 HA ALA 23 2.287 -6.528 17.482 188 HB1 ALA 23 HB1 ALA 23 2.032 -4.810 15.769 189 HB2 ALA 23 HB2 ALA 23 3.007 -6.137 15.140 190 HB3 ALA 23 HB3 ALA 23 3.781 -4.630 15.643 191 H ALA 24 H ALA 24 3.481 -8.289 16.566 192 HA ALA 24 HA ALA 24 6.354 -8.392 16.607 193 HB1 ALA 24 HB1 ALA 24 4.877 -9.850 18.830 194 HB2 ALA 24 HB2 ALA 24 5.939 -8.455 19.036 195 HB3 ALA 24 HB3 ALA 24 6.603 -9.989 18.467 196 H VAL 25 H VAL 25 6.962 -9.925 15.185 197 HA VAL 25 HA VAL 25 5.069 -11.725 13.972 198 HB VAL 25 HB VAL 25 8.097 -11.560 13.574 199 HG11 VAL 25 HG11 VAL 25 6.021 -13.019 11.883 200 HG12 VAL 25 HG12 VAL 25 7.249 -13.782 12.896 201 HG13 VAL 25 HG13 VAL 25 7.732 -12.845 11.481 202 HG21 VAL 25 HG21 VAL 25 5.849 -10.387 11.895 203 HG22 VAL 25 HG22 VAL 25 7.567 -10.335 11.491 204 HG23 VAL 25 HG23 VAL 25 6.972 -9.480 12.913 205 H GLU 26 H GLU 26 4.425 -13.406 15.213 206 HA GLU 26 HA GLU 26 6.139 -14.989 16.887 207 HB2 GLU 26 HB2 GLU 26 3.333 -15.575 15.837 208 HB3 GLU 26 HB3 GLU 26 4.155 -16.454 17.127 209 HG2 GLU 26 HG2 GLU 26 3.259 -13.560 17.180 210 HG3 GLU 26 HG3 GLU 26 2.549 -14.901 18.079 211 H LYS 27 H LYS 27 4.200 -16.050 14.047 212 HA LYS 27 HA LYS 27 6.206 -18.122 13.477 213 HB2 LYS 27 HB2 LYS 27 3.786 -18.748 13.623 214 HB3 LYS 27 HB3 LYS 27 3.451 -17.710 12.241 215 HG2 LYS 27 HG2 LYS 27 4.700 -19.122 10.759 216 HG3 LYS 27 HG3 LYS 27 5.375 -20.042 12.104 217 HD2 LYS 27 HD2 LYS 27 3.175 -20.990 12.612 218 HD3 LYS 27 HD3 LYS 27 2.426 -19.998 11.355 219 HE2 LYS 27 HE2 LYS 27 2.780 -22.361 10.651 220 HE3 LYS 27 HE3 LYS 27 3.629 -21.212 9.621 221 HZ1 LYS 27 HZ1 LYS 27 5.672 -21.725 10.828 222 HZ2 LYS 27 HZ2 LYS 27 5.002 -23.107 10.121 223 HZ3 LYS 27 HZ3 LYS 27 4.840 -22.845 11.783 224 H LYS 28 H LYS 28 7.210 -18.319 11.492 225 HA LYS 28 HA LYS 28 6.991 -16.081 9.576 226 HB2 LYS 28 HB2 LYS 28 9.075 -15.870 10.892 227 HB3 LYS 28 HB3 LYS 28 9.529 -17.527 10.493 228 HG2 LYS 28 HG2 LYS 28 9.633 -16.889 8.093 229 HG3 LYS 28 HG3 LYS 28 9.231 -15.232 8.536 230 HD2 LYS 28 HD2 LYS 28 11.335 -15.042 9.799 231 HD3 LYS 28 HD3 LYS 28 11.722 -16.727 9.431 232 HE2 LYS 28 HE2 LYS 28 11.473 -14.451 7.428 233 HE3 LYS 28 HE3 LYS 28 12.963 -15.256 7.926 234 HZ1 LYS 28 HZ1 LYS 28 12.091 -17.324 6.966 235 HZ2 LYS 28 HZ2 LYS 28 12.235 -16.103 5.811 236 HZ3 LYS 28 HZ3 LYS 28 10.713 -16.502 6.426 237 H GLY 29 H GLY 29 7.024 -16.652 7.420 238 HA2 GLY 29 HA2 GLY 29 7.669 -19.431 6.625 239 HA3 GLY 29 HA3 GLY 29 6.172 -18.682 6.087 240 H ALA 30 H ALA 30 6.348 -18.119 4.000 241 HA ALA 30 HA ALA 30 8.941 -17.719 2.757 242 HB1 ALA 30 HB1 ALA 30 6.172 -17.720 1.500 243 HB2 ALA 30 HB2 ALA 30 7.248 -19.111 1.640 244 HB3 ALA 30 HB3 ALA 30 7.709 -17.742 0.627 245 H GLU 31 H GLU 31 9.585 -15.908 1.555 246 HA GLU 31 HA GLU 31 9.088 -13.410 2.771 247 HB2 GLU 31 HB2 GLU 31 10.599 -14.161 0.248 248 HB3 GLU 31 HB3 GLU 31 10.527 -12.516 0.860 249 HG2 GLU 31 HG2 GLU 31 11.531 -13.349 3.014 250 HG3 GLU 31 HG3 GLU 31 11.765 -14.913 2.228 251 H ALA 32 H ALA 32 8.457 -14.347 -0.649 252 HA ALA 32 HA ALA 32 6.688 -12.015 -0.971 253 HB1 ALA 32 HB1 ALA 32 8.443 -12.348 -2.654 254 HB2 ALA 32 HB2 ALA 32 6.845 -12.480 -3.389 255 HB3 ALA 32 HB3 ALA 32 7.786 -13.937 -3.052 256 H ALA 33 H ALA 33 6.657 -15.542 -1.312 257 HA ALA 33 HA ALA 33 3.868 -15.645 -2.172 258 HB1 ALA 33 HB1 ALA 33 4.303 -18.041 -2.485 259 HB2 ALA 33 HB2 ALA 33 5.879 -17.874 -1.703 260 HB3 ALA 33 HB3 ALA 33 5.566 -17.072 -3.243 261 H GLY 34 H GLY 34 5.165 -15.221 0.784 262 HA2 GLY 34 HA2 GLY 34 3.991 -17.279 2.378 263 HA3 GLY 34 HA3 GLY 34 4.641 -15.751 2.948 264 H ALA 35 H ALA 35 1.950 -17.463 3.155 265 HA ALA 35 HA ALA 35 -0.064 -15.418 2.868 266 HB1 ALA 35 HB1 ALA 35 -1.442 -16.933 4.280 267 HB2 ALA 35 HB2 ALA 35 -0.022 -17.940 4.577 268 HB3 ALA 35 HB3 ALA 35 -0.680 -17.800 2.945 269 H ILE 36 H ILE 36 -1.090 -14.338 4.818 270 HA ILE 36 HA ILE 36 0.748 -13.929 7.098 271 HB ILE 36 HB ILE 36 -0.567 -11.593 5.646 272 HG12 ILE 36 HG12 ILE 36 1.288 -12.449 4.238 273 HG13 ILE 36 HG13 ILE 36 1.647 -10.850 4.879 274 HG21 ILE 36 HG21 ILE 36 1.405 -11.623 7.957 275 HG22 ILE 36 HG22 ILE 36 -0.310 -11.217 8.047 276 HG23 ILE 36 HG23 ILE 36 0.796 -10.169 7.158 277 HD11 ILE 36 HD11 ILE 36 3.028 -11.962 6.638 278 HD12 ILE 36 HD12 ILE 36 3.614 -12.146 4.996 279 HD13 ILE 36 HD13 ILE 36 2.785 -13.484 5.782 280 H PHE 37 H PHE 37 -0.452 -14.431 8.820 281 HA PHE 37 HA PHE 37 -3.268 -13.581 8.976 282 HB2 PHE 37 HB2 PHE 37 -1.964 -16.156 9.933 283 HB3 PHE 37 HB3 PHE 37 -3.528 -15.613 10.541 284 HD1 PHE 37 HD1 PHE 37 -1.723 -16.681 7.467 285 HD2 PHE 37 HD2 PHE 37 -5.524 -15.817 9.225 286 HE1 PHE 37 HE1 PHE 37 -2.849 -17.564 5.473 287 HE2 PHE 37 HE2 PHE 37 -6.631 -16.705 7.230 288 HZ PHE 37 HZ PHE 37 -5.307 -17.575 5.353 289 H VAL 38 H VAL 38 -3.471 -12.007 10.323 290 HA VAL 38 HA VAL 38 -1.582 -11.596 12.562 291 HB VAL 38 HB VAL 38 -3.230 -9.555 10.979 292 HG11 VAL 38 HG11 VAL 38 -2.931 -8.827 13.326 293 HG12 VAL 38 HG12 VAL 38 -2.003 -7.810 12.221 294 HG13 VAL 38 HG13 VAL 38 -1.185 -9.052 13.173 295 HG21 VAL 38 HG21 VAL 38 -0.230 -10.044 10.980 296 HG22 VAL 38 HG22 VAL 38 -1.069 -8.777 10.086 297 HG23 VAL 38 HG23 VAL 38 -1.341 -10.470 9.673 298 H ARG 39 H ARG 39 -2.432 -11.489 14.598 299 HA ARG 39 HA ARG 39 -5.379 -11.521 14.923 300 HB2 ARG 39 HB2 ARG 39 -5.035 -12.572 17.095 301 HB3 ARG 39 HB3 ARG 39 -4.139 -13.494 15.896 302 HG2 ARG 39 HG2 ARG 39 -2.041 -12.506 16.631 303 HG3 ARG 39 HG3 ARG 39 -2.894 -11.425 17.727 304 HD2 ARG 39 HD2 ARG 39 -2.024 -13.122 19.107 305 HD3 ARG 39 HD3 ARG 39 -3.729 -13.521 18.931 306 HE ARG 39 HE ARG 39 -3.143 -15.309 17.485 307 HH11 ARG 39 HH11 ARG 39 -0.312 -13.781 18.920 308 HH12 ARG 39 HH12 ARG 39 0.688 -15.180 18.726 309 HH21 ARG 39 HH21 ARG 39 -1.814 -17.126 17.237 310 HH22 ARG 39 HH22 ARG 39 -0.162 -17.064 17.752 311 H GLN 40 H GLN 40 -6.322 -9.810 16.009 312 HA GLN 40 HA GLN 40 -4.562 -7.705 17.104 313 HB2 GLN 40 HB2 GLN 40 -6.180 -6.889 15.451 314 HB3 GLN 40 HB3 GLN 40 -7.520 -7.566 16.377 315 HG2 GLN 40 HG2 GLN 40 -7.053 -6.022 18.228 316 HG3 GLN 40 HG3 GLN 40 -5.639 -5.398 17.382 317 HE21 GLN 40 HE21 GLN 40 -7.911 -3.947 18.367 318 HE22 GLN 40 HE22 GLN 40 -8.634 -3.160 17.009 319 H ARG 41 H ARG 41 -4.449 -7.421 19.238 320 HA ARG 41 HA ARG 41 -6.118 -9.017 21.024 321 HB2 ARG 41 HB2 ARG 41 -3.557 -8.998 21.154 322 HB3 ARG 41 HB3 ARG 41 -3.692 -7.348 21.749 323 HG2 ARG 41 HG2 ARG 41 -5.020 -8.159 23.685 324 HG3 ARG 41 HG3 ARG 41 -4.885 -9.811 23.074 325 HD2 ARG 41 HD2 ARG 41 -2.385 -9.616 23.280 326 HD3 ARG 41 HD3 ARG 41 -2.619 -8.036 24.043 327 HE ARG 41 HE ARG 41 -3.981 -10.333 25.241 328 HH11 ARG 41 HH11 ARG 41 -1.336 -8.035 25.483 329 HH12 ARG 41 HH12 ARG 41 -0.921 -8.512 27.096 330 HH21 ARG 41 HH21 ARG 41 -3.407 -10.952 27.347 331 HH22 ARG 41 HH22 ARG 41 -2.101 -10.152 28.157 332 H LEU 42 H LEU 42 -7.951 -7.973 21.401 333 HA LEU 42 HA LEU 42 -8.191 -5.115 21.679 334 HB2 LEU 42 HB2 LEU 42 -10.165 -7.405 22.041 335 HB3 LEU 42 HB3 LEU 42 -10.603 -5.739 22.359 336 HG LEU 42 HG LEU 42 -11.456 -6.341 20.206 337 HD11 LEU 42 HD11 LEU 42 -10.427 -4.671 18.747 338 HD12 LEU 42 HD12 LEU 42 -9.041 -4.558 19.834 339 HD13 LEU 42 HD13 LEU 42 -10.644 -4.066 20.389 340 HD21 LEU 42 HD21 LEU 42 -10.055 -7.108 18.334 341 HD22 LEU 42 HD22 LEU 42 -10.055 -8.248 19.679 342 HD23 LEU 42 HD23 LEU 42 -8.658 -7.198 19.415 343 H ARG 43 H ARG 43 -8.352 -3.965 23.499 344 HA ARG 43 HA ARG 43 -7.695 -4.840 26.081 345 HB2 ARG 43 HB2 ARG 43 -8.979 -2.567 26.723 346 HB3 ARG 43 HB3 ARG 43 -7.402 -2.577 25.965 347 HG2 ARG 43 HG2 ARG 43 -8.794 -0.884 24.949 348 HG3 ARG 43 HG3 ARG 43 -8.427 -2.135 23.772 349 HD2 ARG 43 HD2 ARG 43 -10.692 -3.060 24.042 350 HD3 ARG 43 HD3 ARG 43 -11.051 -1.820 25.254 351 HE ARG 43 HE ARG 43 -10.202 -0.455 23.003 352 HH11 ARG 43 HH11 ARG 43 -12.914 -2.575 23.685 353 HH12 ARG 43 HH12 ARG 43 -13.927 -1.824 22.499 354 HH21 ARG 43 HH21 ARG 43 -11.550 0.509 21.486 355 HH22 ARG 43 HH22 ARG 43 -13.166 -0.078 21.265 356 H ASP 44 H ASP 44 -10.605 -5.300 24.415 357 HA ASP 44 HA ASP 44 -12.451 -5.452 26.542 358 HB2 ASP 44 HB2 ASP 44 -12.524 -6.976 23.897 359 HB3 ASP 44 HB3 ASP 44 -13.890 -6.680 24.968 360 H GLY 45 H GLY 45 -9.798 -7.444 25.826 361 HA2 GLY 45 HA2 GLY 45 -9.124 -9.471 26.748 362 HA3 GLY 45 HA3 GLY 45 -10.730 -9.722 27.418 363 H ARG 46 H ARG 46 -10.523 -8.785 24.126 364 HA ARG 46 HA ARG 46 -11.164 -11.524 23.188 365 HB2 ARG 46 HB2 ARG 46 -12.195 -8.859 22.114 366 HB3 ARG 46 HB3 ARG 46 -12.546 -10.431 21.417 367 HG2 ARG 46 HG2 ARG 46 -13.425 -9.444 24.156 368 HG3 ARG 46 HG3 ARG 46 -14.443 -9.626 22.724 369 HD2 ARG 46 HD2 ARG 46 -13.914 -12.097 22.754 370 HD3 ARG 46 HD3 ARG 46 -13.087 -11.840 24.297 371 HE ARG 46 HE ARG 46 -15.209 -11.182 25.265 372 HH11 ARG 46 HH11 ARG 46 -15.462 -12.795 22.154 373 HH12 ARG 46 HH12 ARG 46 -17.105 -13.274 22.401 374 HH21 ARG 46 HH21 ARG 46 -17.379 -11.813 25.563 375 HH22 ARG 46 HH22 ARG 46 -18.193 -12.716 24.326 376 H GLU 47 H GLU 47 -10.758 -11.711 20.781 377 HA GLU 47 HA GLU 47 -8.558 -10.101 19.759 378 HB2 GLU 47 HB2 GLU 47 -8.357 -13.140 20.023 379 HB3 GLU 47 HB3 GLU 47 -7.282 -12.156 19.032 380 HG2 GLU 47 HG2 GLU 47 -6.606 -10.913 21.099 381 HG3 GLU 47 HG3 GLU 47 -7.558 -12.050 22.049 382 H ASN 48 H ASN 48 -8.557 -9.864 17.611 383 HA ASN 48 HA ASN 48 -10.550 -11.290 15.962 384 HB2 ASN 48 HB2 ASN 48 -9.027 -8.698 15.483 385 HB3 ASN 48 HB3 ASN 48 -9.959 -9.495 14.229 386 HD21 ASN 48 HD21 ASN 48 -10.891 -9.118 17.647 387 HD22 ASN 48 HD22 ASN 48 -12.238 -8.090 17.329 388 H LEU 49 H LEU 49 -9.691 -11.633 13.630 389 HA LEU 49 HA LEU 49 -6.872 -12.333 13.443 390 HB2 LEU 49 HB2 LEU 49 -8.648 -14.348 14.077 391 HB3 LEU 49 HB3 LEU 49 -8.717 -14.424 12.335 392 HG LEU 49 HG LEU 49 -6.203 -14.728 14.017 393 HD11 LEU 49 HD11 LEU 49 -6.249 -17.092 13.320 394 HD12 LEU 49 HD12 LEU 49 -7.811 -16.813 12.544 395 HD13 LEU 49 HD13 LEU 49 -7.650 -16.635 14.285 396 HD21 LEU 49 HD21 LEU 49 -5.094 -15.464 11.912 397 HD22 LEU 49 HD22 LEU 49 -5.587 -13.774 11.876 398 HD23 LEU 49 HD23 LEU 49 -6.539 -14.984 11.011 399 H TYR 50 H TYR 50 -6.141 -12.134 11.360 400 HA TYR 50 HA TYR 50 -8.000 -11.214 9.266 401 HB2 TYR 50 HB2 TYR 50 -5.291 -9.920 9.870 402 HB3 TYR 50 HB3 TYR 50 -6.518 -9.351 8.734 403 HD1 TYR 50 HD1 TYR 50 -8.925 -8.910 9.857 404 HD2 TYR 50 HD2 TYR 50 -5.212 -8.843 11.979 405 HE1 TYR 50 HE1 TYR 50 -9.969 -7.606 11.644 406 HE2 TYR 50 HE2 TYR 50 -6.269 -7.520 13.758 407 HH TYR 50 HH TYR 50 -8.239 -5.967 13.971 408 H GLY 51 H GLY 51 -7.348 -11.725 7.162 409 HA2 GLY 51 HA2 GLY 51 -4.841 -13.214 6.730 410 HA3 GLY 51 HA3 GLY 51 -6.363 -14.038 6.385 411 HA PRO 52 HA PRO 52 -4.933 -11.323 2.685 412 HB2 PRO 52 HB2 PRO 52 -4.507 -13.959 1.317 413 HB3 PRO 52 HB3 PRO 52 -3.488 -12.513 1.307 414 HG2 PRO 52 HG2 PRO 52 -2.748 -14.683 2.696 415 HG3 PRO 52 HG3 PRO 52 -2.469 -13.054 3.352 416 HD2 PRO 52 HD2 PRO 52 -4.685 -15.008 4.025 417 HD3 PRO 52 HD3 PRO 52 -3.669 -14.036 5.119 418 H ALA 53 H ALA 53 -6.631 -10.641 1.537 419 HA ALA 53 HA ALA 53 -9.096 -12.222 1.373 420 HB1 ALA 53 HB1 ALA 53 -9.194 -9.937 2.300 421 HB2 ALA 53 HB2 ALA 53 -10.157 -10.061 0.829 422 HB3 ALA 53 HB3 ALA 53 -8.572 -9.279 0.786 423 HA PRO 54 HA PRO 54 -9.053 -12.635 -3.218 424 HB2 PRO 54 HB2 PRO 54 -11.873 -11.562 -3.023 425 HB3 PRO 54 HB3 PRO 54 -11.269 -12.985 -3.887 426 HG2 PRO 54 HG2 PRO 54 -12.588 -13.300 -1.604 427 HG3 PRO 54 HG3 PRO 54 -11.145 -14.284 -1.936 428 HD2 PRO 54 HD2 PRO 54 -11.407 -11.850 -0.167 429 HD3 PRO 54 HD3 PRO 54 -10.526 -13.368 0.126 430 H GLN 55 H GLN 55 -7.718 -11.089 -3.952 431 HA GLN 55 HA GLN 55 -7.959 -8.291 -3.565 432 HB2 GLN 55 HB2 GLN 55 -5.800 -9.489 -3.985 433 HB3 GLN 55 HB3 GLN 55 -6.324 -9.844 -5.629 434 HG2 GLN 55 HG2 GLN 55 -6.334 -7.445 -6.156 435 HG3 GLN 55 HG3 GLN 55 -5.867 -7.069 -4.498 436 HE21 GLN 55 HE21 GLN 55 -3.942 -6.083 -5.025 437 HE22 GLN 55 HE22 GLN 55 -2.599 -6.923 -5.715 438 H SER 56 H SER 56 -9.315 -6.926 -4.593 439 HA SER 56 HA SER 56 -10.945 -7.743 -6.830 440 HB2 SER 56 HB2 SER 56 -10.753 -5.036 -5.442 441 HB3 SER 56 HB3 SER 56 -12.021 -5.537 -6.568 442 HG SER 56 HG SER 56 -11.436 -6.799 -4.084 443 H PHE 57 H PHE 57 -9.465 -8.105 -8.473 444 HA PHE 57 HA PHE 57 -7.625 -6.033 -9.356 445 HB2 PHE 57 HB2 PHE 57 -6.892 -7.764 -11.049 446 HB3 PHE 57 HB3 PHE 57 -6.712 -8.252 -9.371 447 HD1 PHE 57 HD1 PHE 57 -8.713 -8.798 -12.467 448 HD2 PHE 57 HD2 PHE 57 -7.901 -10.145 -8.495 449 HE1 PHE 57 HE1 PHE 57 -9.952 -10.870 -12.912 450 HE2 PHE 57 HE2 PHE 57 -9.142 -12.212 -8.944 451 HZ PHE 57 HZ PHE 57 -10.172 -12.581 -11.153 452 H ALA 58 H ALA 58 -7.642 -5.002 -11.290 453 HA ALA 58 HA ALA 58 -10.044 -5.123 -13.007 454 HB1 ALA 58 HB1 ALA 58 -9.278 -2.916 -13.852 455 HB2 ALA 58 HB2 ALA 58 -7.876 -2.983 -12.778 456 HB3 ALA 58 HB3 ALA 58 -9.503 -2.890 -12.103 457 H ASP 59 H ASP 59 -9.697 -6.619 -14.553 458 HA ASP 59 HA ASP 59 -8.927 -7.698 -16.380 459 HB2 ASP 59 HB2 ASP 59 -8.704 -5.354 -17.236 460 HB3 ASP 59 HB3 ASP 59 -7.046 -5.309 -16.653 461 H ASP 60 H ASP 60 -7.639 -8.136 -13.719 462 HA ASP 60 HA ASP 60 -6.014 -9.338 -12.699 463 HB2 ASP 60 HB2 ASP 60 -5.552 -10.354 -15.530 464 HB3 ASP 60 HB3 ASP 60 -4.604 -10.949 -14.171 465 H GLU 61 H GLU 61 -5.382 -6.621 -13.970 466 HA GLU 61 HA GLU 61 -2.519 -6.628 -14.313 467 HB2 GLU 61 HB2 GLU 61 -4.411 -4.311 -13.738 468 HB3 GLU 61 HB3 GLU 61 -2.745 -4.172 -14.304 469 HG2 GLU 61 HG2 GLU 61 -3.384 -5.312 -16.414 470 HG3 GLU 61 HG3 GLU 61 -5.047 -5.427 -15.840 471 H ASP 62 H ASP 62 -4.818 -5.783 -11.732 472 HA ASP 62 HA ASP 62 -3.000 -4.683 -9.874 473 HB2 ASP 62 HB2 ASP 62 -5.761 -5.875 -9.445 474 HB3 ASP 62 HB3 ASP 62 -4.863 -5.029 -8.184 475 H ILE 63 H ILE 63 -3.434 -7.990 -10.662 476 HA ILE 63 HA ILE 63 -2.892 -9.360 -8.281 477 HB ILE 63 HB ILE 63 -1.708 -10.114 -11.001 478 HG12 ILE 63 HG12 ILE 63 -4.103 -9.706 -11.324 479 HG13 ILE 63 HG13 ILE 63 -3.789 -11.433 -11.422 480 HG21 ILE 63 HG21 ILE 63 -1.844 -12.453 -10.196 481 HG22 ILE 63 HG22 ILE 63 -2.466 -11.889 -8.643 482 HG23 ILE 63 HG23 ILE 63 -0.826 -11.467 -9.142 483 HD11 ILE 63 HD11 ILE 63 -5.814 -11.018 -10.235 484 HD12 ILE 63 HD12 ILE 63 -4.994 -9.947 -9.102 485 HD13 ILE 63 HD13 ILE 63 -4.617 -11.671 -9.122 486 H MET 64 H MET 64 -0.830 -7.545 -10.389 487 HA MET 64 HA MET 64 1.588 -7.902 -8.719 488 HB2 MET 64 HB2 MET 64 2.852 -7.690 -10.935 489 HB3 MET 64 HB3 MET 64 1.931 -9.174 -10.733 490 HG2 MET 64 HG2 MET 64 0.048 -7.914 -12.031 491 HG3 MET 64 HG3 MET 64 1.348 -6.834 -12.531 492 HE1 MET 64 HE1 MET 64 -0.739 -9.070 -14.096 493 HE2 MET 64 HE2 MET 64 0.302 -9.471 -15.467 494 HE3 MET 64 HE3 MET 64 0.119 -7.791 -14.964 495 H ARG 65 H ARG 65 -0.641 -5.767 -10.243 496 HA ARG 65 HA ARG 65 1.095 -3.388 -10.000 497 HB2 ARG 65 HB2 ARG 65 -1.605 -3.790 -11.359 498 HB3 ARG 65 HB3 ARG 65 -0.818 -2.223 -11.207 499 HG2 ARG 65 HG2 ARG 65 0.318 -4.616 -12.695 500 HG3 ARG 65 HG3 ARG 65 -0.484 -3.225 -13.438 501 HD2 ARG 65 HD2 ARG 65 2.132 -3.217 -11.889 502 HD3 ARG 65 HD3 ARG 65 1.925 -2.944 -13.622 503 HE ARG 65 HE ARG 65 0.397 -1.031 -12.262 504 HH11 ARG 65 HH11 ARG 65 3.788 -1.761 -12.799 505 HH12 ARG 65 HH12 ARG 65 4.308 -0.143 -12.459 506 HH21 ARG 65 HH21 ARG 65 1.069 1.074 -11.858 507 HH22 ARG 65 HH22 ARG 65 2.754 1.479 -11.961 508 H ALA 66 H ALA 66 -0.816 -5.071 -7.987 509 HA ALA 66 HA ALA 66 -1.013 -2.801 -6.167 510 HB1 ALA 66 HB1 ALA 66 -3.280 -2.875 -7.178 511 HB2 ALA 66 HB2 ALA 66 -3.327 -3.318 -5.471 512 HB3 ALA 66 HB3 ALA 66 -3.434 -4.571 -6.713 513 H GLU 67 H GLU 67 -1.225 -3.522 -3.951 514 HA GLU 67 HA GLU 67 0.032 -6.111 -3.430 515 HB2 GLU 67 HB2 GLU 67 0.273 -5.359 -1.092 516 HB3 GLU 67 HB3 GLU 67 0.925 -4.163 -2.201 517 HG2 GLU 67 HG2 GLU 67 -1.830 -3.925 -0.954 518 HG3 GLU 67 HG3 GLU 67 -0.377 -3.283 -0.194 519 H ARG 68 H ARG 68 -0.845 -7.603 -1.878 520 HA ARG 68 HA ARG 68 -3.631 -8.133 -2.165 521 HB2 ARG 68 HB2 ARG 68 -3.182 -10.022 -0.532 522 HB3 ARG 68 HB3 ARG 68 -2.168 -10.026 -1.968 523 HG2 ARG 68 HG2 ARG 68 -0.298 -9.055 -0.647 524 HG3 ARG 68 HG3 ARG 68 -1.316 -9.080 0.796 525 HD2 ARG 68 HD2 ARG 68 0.265 -11.003 0.704 526 HD3 ARG 68 HD3 ARG 68 -1.424 -11.519 0.723 527 HE ARG 68 HE ARG 68 -1.253 -11.898 -1.684 528 HH11 ARG 68 HH11 ARG 68 1.808 -11.728 0.035 529 HH12 ARG 68 HH12 ARG 68 2.667 -12.617 -1.177 530 HH21 ARG 68 HH21 ARG 68 -0.115 -13.069 -3.248 531 HH22 ARG 68 HH22 ARG 68 1.577 -13.383 -3.035 532 H ARG 69 H ARG 69 -5.214 -7.096 -1.107 533 HA ARG 69 HA ARG 69 -4.828 -5.782 1.449 534 HB2 ARG 69 HB2 ARG 69 -6.170 -4.780 -0.415 535 HB3 ARG 69 HB3 ARG 69 -7.311 -6.112 -0.291 536 HG2 ARG 69 HG2 ARG 69 -8.022 -5.375 1.907 537 HG3 ARG 69 HG3 ARG 69 -6.750 -4.146 1.950 538 HD2 ARG 69 HD2 ARG 69 -9.075 -4.217 -0.014 539 HD3 ARG 69 HD3 ARG 69 -8.934 -3.152 1.388 540 HE ARG 69 HE ARG 69 -6.842 -2.281 0.267 541 HH11 ARG 69 HH11 ARG 69 -9.506 -3.528 -1.632 542 HH12 ARG 69 HH12 ARG 69 -9.103 -2.591 -3.031 543 HH21 ARG 69 HH21 ARG 69 -6.313 -1.068 -1.579 544 HH22 ARG 69 HH22 ARG 69 -7.303 -1.183 -2.998 545 H PHE 70 H PHE 70 -6.262 -6.333 3.282 546 HA PHE 70 HA PHE 70 -6.391 -9.271 3.532 547 HB2 PHE 70 HB2 PHE 70 -5.824 -7.026 5.500 548 HB3 PHE 70 HB3 PHE 70 -6.353 -8.605 6.081 549 HD1 PHE 70 HD1 PHE 70 -4.012 -7.687 3.287 550 HD2 PHE 70 HD2 PHE 70 -4.490 -9.614 7.071 551 HE1 PHE 70 HE1 PHE 70 -1.725 -8.544 3.135 552 HE2 PHE 70 HE2 PHE 70 -2.198 -10.462 6.911 553 HZ PHE 70 HZ PHE 70 -0.819 -9.928 4.943 554 H GLU 71 H GLU 71 -7.928 -9.945 5.283 555 HA GLU 71 HA GLU 71 -10.514 -8.552 5.313 556 HB2 GLU 71 HB2 GLU 71 -11.686 -10.713 4.958 557 HB3 GLU 71 HB3 GLU 71 -10.714 -10.283 3.554 558 HG2 GLU 71 HG2 GLU 71 -9.017 -11.904 4.123 559 HG3 GLU 71 HG3 GLU 71 -9.761 -12.218 5.692 560 H THR 72 H THR 72 -11.896 -9.575 7.039 561 HA THR 72 HA THR 72 -10.274 -10.239 9.389 562 HB THR 72 HB THR 72 -13.249 -9.573 9.245 563 HG1 THR 72 HG1 THR 72 -11.421 -7.692 10.156 564 HG21 THR 72 HG21 THR 72 -11.276 -9.464 11.563 565 HG22 THR 72 HG22 THR 72 -12.536 -10.685 11.359 566 HG23 THR 72 HG23 THR 72 -12.978 -8.997 11.631 567 H ARG 73 H ARG 73 -9.878 -12.416 9.480 568 HA ARG 73 HA ARG 73 -11.602 -14.491 8.556 569 HB2 ARG 73 HB2 ARG 73 -9.217 -14.497 10.462 570 HB3 ARG 73 HB3 ARG 73 -10.085 -15.969 10.047 571 HG2 ARG 73 HG2 ARG 73 -8.585 -14.185 8.096 572 HG3 ARG 73 HG3 ARG 73 -8.025 -15.730 8.741 573 HD2 ARG 73 HD2 ARG 73 -10.324 -16.607 7.696 574 HD3 ARG 73 HD3 ARG 73 -10.149 -15.173 6.677 575 HE ARG 73 HE ARG 73 -8.091 -17.307 6.890 576 HH11 ARG 73 HH11 ARG 73 -9.971 -15.146 4.851 577 HH12 ARG 73 HH12 ARG 73 -9.193 -15.672 3.395 578 HH21 ARG 73 HH21 ARG 73 -7.128 -17.995 4.968 579 HH22 ARG 73 HH22 ARG 73 -7.609 -17.291 3.455 580 H LEU 74 H LEU 74 -10.691 -13.528 11.884 581 HA LEU 74 HA LEU 74 -13.378 -14.335 12.873 582 HB2 LEU 74 HB2 LEU 74 -10.680 -14.622 14.264 583 HB3 LEU 74 HB3 LEU 74 -12.235 -15.005 14.994 584 HG LEU 74 HG LEU 74 -11.129 -16.424 12.533 585 HD11 LEU 74 HD11 LEU 74 -10.591 -18.310 13.995 586 HD12 LEU 74 HD12 LEU 74 -11.054 -17.364 15.413 587 HD13 LEU 74 HD13 LEU 74 -9.672 -16.871 14.429 588 HD21 LEU 74 HD21 LEU 74 -13.575 -16.509 12.686 589 HD22 LEU 74 HD22 LEU 74 -13.476 -17.132 14.334 590 HD23 LEU 74 HD23 LEU 74 -12.881 -18.103 12.984 591 H ALA 75 H ALA 75 -14.121 -13.064 14.759 592 HA ALA 75 HA ALA 75 -12.826 -10.457 15.141 593 HB1 ALA 75 HB1 ALA 75 -14.843 -9.199 14.521 594 HB2 ALA 75 HB2 ALA 75 -15.669 -10.698 14.084 595 HB3 ALA 75 HB3 ALA 75 -14.268 -10.159 13.157 596 H GLY 76 H GLY 76 -12.737 -10.202 17.265 597 HA2 GLY 76 HA2 GLY 76 -13.386 -9.827 19.431 598 HA3 GLY 76 HA3 GLY 76 -15.053 -9.887 18.882 599 H VAL 77 H VAL 77 -12.725 -12.475 18.526 600 HA VAL 77 HA VAL 77 -14.422 -14.279 20.141 601 HB VAL 77 HB VAL 77 -13.344 -16.128 18.906 602 HG11 VAL 77 HG11 VAL 77 -15.370 -15.143 17.917 603 HG12 VAL 77 HG12 VAL 77 -14.276 -15.691 16.646 604 HG13 VAL 77 HG13 VAL 77 -14.392 -13.970 17.028 605 HG21 VAL 77 HG21 VAL 77 -11.106 -15.177 18.536 606 HG22 VAL 77 HG22 VAL 77 -11.772 -13.984 17.420 607 HG23 VAL 77 HG23 VAL 77 -11.802 -15.698 16.998 608 H GLU 78 H GLU 78 -12.586 -16.277 20.787 609 HA GLU 78 HA GLU 78 -10.639 -14.903 22.549 610 HB2 GLU 78 HB2 GLU 78 -10.683 -16.910 23.948 611 HB3 GLU 78 HB3 GLU 78 -12.315 -16.295 23.717 612 HG2 GLU 78 HG2 GLU 78 -12.777 -18.035 22.067 613 HG3 GLU 78 HG3 GLU 78 -11.116 -18.617 22.180 614 H GLY 79 H GLY 79 -8.639 -16.272 23.028 615 HA2 GLY 79 HA2 GLY 79 -7.066 -16.540 20.707 616 HA3 GLY 79 HA3 GLY 79 -6.610 -17.066 22.322 617 H GLU 80 H GLU 80 -8.945 -18.916 22.447 618 HA GLU 80 HA GLU 80 -7.880 -21.332 21.489 619 HB2 GLU 80 HB2 GLU 80 -9.612 -21.129 23.281 620 HB3 GLU 80 HB3 GLU 80 -10.786 -20.613 22.081 621 HG2 GLU 80 HG2 GLU 80 -11.216 -22.900 22.626 622 HG3 GLU 80 HG3 GLU 80 -10.588 -22.839 20.978 623 H GLU 81 H GLU 81 -10.370 -19.185 20.146 624 HA GLU 81 HA GLU 81 -10.953 -20.734 17.827 625 HB2 GLU 81 HB2 GLU 81 -11.434 -17.764 18.304 626 HB3 GLU 81 HB3 GLU 81 -12.220 -18.761 17.080 627 HG2 GLU 81 HG2 GLU 81 -12.526 -18.991 20.087 628 HG3 GLU 81 HG3 GLU 81 -13.724 -18.381 18.949 629 H ILE 82 H ILE 82 -8.808 -18.006 18.495 630 HA ILE 82 HA ILE 82 -7.981 -17.375 15.895 631 HB ILE 82 HB ILE 82 -6.349 -17.162 18.467 632 HG12 ILE 82 HG12 ILE 82 -8.486 -15.927 18.664 633 HG13 ILE 82 HG13 ILE 82 -7.135 -14.805 18.591 634 HG21 ILE 82 HG21 ILE 82 -5.947 -15.695 15.829 635 HG22 ILE 82 HG22 ILE 82 -4.906 -16.959 16.485 636 HG23 ILE 82 HG23 ILE 82 -5.037 -15.410 17.316 637 HD11 ILE 82 HD11 ILE 82 -9.016 -13.999 17.307 638 HD12 ILE 82 HD12 ILE 82 -9.021 -15.467 16.330 639 HD13 ILE 82 HD13 ILE 82 -7.657 -14.350 16.239 640 H ALA 83 H ALA 83 -6.445 -19.523 18.295 641 HA ALA 83 HA ALA 83 -4.410 -20.547 16.595 642 HB1 ALA 83 HB1 ALA 83 -4.034 -22.197 18.384 643 HB2 ALA 83 HB2 ALA 83 -5.564 -21.736 19.139 644 HB3 ALA 83 HB3 ALA 83 -4.238 -20.576 19.048 645 H ALA 84 H ALA 84 -7.745 -21.485 17.139 646 HA ALA 84 HA ALA 84 -7.688 -24.111 16.057 647 HB1 ALA 84 HB1 ALA 84 -10.016 -22.166 16.148 648 HB2 ALA 84 HB2 ALA 84 -9.558 -23.285 17.432 649 HB3 ALA 84 HB3 ALA 84 -10.127 -23.912 15.883 650 H LEU 85 H LEU 85 -8.174 -20.915 14.567 651 HA LEU 85 HA LEU 85 -8.599 -22.018 11.926 652 HB2 LEU 85 HB2 LEU 85 -9.664 -19.878 12.535 653 HB3 LEU 85 HB3 LEU 85 -8.086 -19.138 12.724 654 HG LEU 85 HG LEU 85 -8.266 -20.376 10.080 655 HD11 LEU 85 HD11 LEU 85 -9.958 -19.019 9.040 656 HD12 LEU 85 HD12 LEU 85 -10.465 -18.410 10.621 657 HD13 LEU 85 HD13 LEU 85 -10.618 -20.131 10.238 658 HD21 LEU 85 HD21 LEU 85 -7.890 -17.482 10.867 659 HD22 LEU 85 HD22 LEU 85 -7.652 -18.158 9.254 660 HD23 LEU 85 HD23 LEU 85 -6.624 -18.691 10.586 661 H LEU 86 H LEU 86 -5.927 -20.427 13.675 662 HA LEU 86 HA LEU 86 -4.065 -20.257 11.577 663 HB2 LEU 86 HB2 LEU 86 -3.573 -20.657 14.551 664 HB3 LEU 86 HB3 LEU 86 -2.290 -20.327 13.393 665 HG LEU 86 HG LEU 86 -4.591 -18.455 14.090 666 HD11 LEU 86 HD11 LEU 86 -1.633 -18.227 14.712 667 HD12 LEU 86 HD12 LEU 86 -2.925 -18.579 15.865 668 HD13 LEU 86 HD13 LEU 86 -2.869 -17.013 15.062 669 HD21 LEU 86 HD21 LEU 86 -2.307 -18.027 12.136 670 HD22 LEU 86 HD22 LEU 86 -3.470 -16.799 12.644 671 HD23 LEU 86 HD23 LEU 86 -4.018 -18.202 11.732 672 H GLU 87 H GLU 87 -5.107 -22.936 13.512 673 HA GLU 87 HA GLU 87 -3.196 -24.895 12.843 674 HB2 GLU 87 HB2 GLU 87 -4.658 -25.198 14.740 675 HB3 GLU 87 HB3 GLU 87 -6.093 -24.941 13.762 676 HG2 GLU 87 HG2 GLU 87 -5.988 -27.233 14.262 677 HG3 GLU 87 HG3 GLU 87 -5.603 -27.037 12.561 678 H ARG 88 H ARG 88 -6.321 -23.916 11.405 679 HA ARG 88 HA ARG 88 -6.481 -25.976 9.434 680 HB2 ARG 88 HB2 ARG 88 -7.788 -23.222 9.578 681 HB3 ARG 88 HB3 ARG 88 -8.248 -24.481 8.434 682 HG2 ARG 88 HG2 ARG 88 -9.087 -25.892 10.186 683 HG3 ARG 88 HG3 ARG 88 -8.394 -24.854 11.438 684 HD2 ARG 88 HD2 ARG 88 -10.864 -24.570 11.144 685 HD3 ARG 88 HD3 ARG 88 -9.944 -23.076 10.924 686 HE ARG 88 HE ARG 88 -10.540 -24.573 8.500 687 HH11 ARG 88 HH11 ARG 88 -11.562 -21.962 10.594 688 HH12 ARG 88 HH12 ARG 88 -12.535 -21.203 9.377 689 HH21 ARG 88 HH21 ARG 88 -11.821 -23.568 6.908 690 HH22 ARG 88 HH22 ARG 88 -12.669 -22.104 7.290 691 H GLU 89 H GLU 89 -5.396 -22.583 9.338 692 HA GLU 89 HA GLU 89 -4.928 -22.487 6.528 693 HB2 GLU 89 HB2 GLU 89 -3.800 -20.610 8.644 694 HB3 GLU 89 HB3 GLU 89 -4.001 -20.272 6.920 695 HG2 GLU 89 HG2 GLU 89 -6.167 -20.645 8.994 696 HG3 GLU 89 HG3 GLU 89 -5.708 -19.146 8.208 697 H ARG 90 H ARG 90 -2.834 -23.048 9.359 698 HA ARG 90 HA ARG 90 -0.387 -23.200 7.870 699 HB2 ARG 90 HB2 ARG 90 0.701 -24.022 9.816 700 HB3 ARG 90 HB3 ARG 90 -0.517 -22.892 10.390 701 HG2 ARG 90 HG2 ARG 90 -1.973 -24.776 11.036 702 HG3 ARG 90 HG3 ARG 90 -0.774 -25.919 10.433 703 HD2 ARG 90 HD2 ARG 90 0.842 -25.096 12.119 704 HD3 ARG 90 HD3 ARG 90 -0.382 -23.979 12.737 705 HE ARG 90 HE ARG 90 -1.665 -26.328 12.931 706 HH11 ARG 90 HH11 ARG 90 1.575 -25.443 13.989 707 HH12 ARG 90 HH12 ARG 90 1.587 -26.598 15.284 708 HH21 ARG 90 HH21 ARG 90 -1.636 -27.813 14.638 709 HH22 ARG 90 HH22 ARG 90 -0.237 -27.930 15.659 710 H ARG 91 H ARG 91 -2.936 -25.484 8.501 711 HA ARG 91 HA ARG 91 -1.619 -27.929 8.019 712 HB2 ARG 91 HB2 ARG 91 -4.063 -27.313 8.962 713 HB3 ARG 91 HB3 ARG 91 -4.540 -27.604 7.299 714 HG2 ARG 91 HG2 ARG 91 -3.059 -29.622 9.018 715 HG3 ARG 91 HG3 ARG 91 -4.814 -29.555 8.882 716 HD2 ARG 91 HD2 ARG 91 -4.706 -30.108 6.523 717 HD3 ARG 91 HD3 ARG 91 -2.941 -29.998 6.532 718 HE ARG 91 HE ARG 91 -3.374 -31.879 8.403 719 HH11 ARG 91 HH11 ARG 91 -4.716 -31.630 5.173 720 HH12 ARG 91 HH12 ARG 91 -4.754 -33.345 4.928 721 HH21 ARG 91 HH21 ARG 91 -3.432 -34.109 8.090 722 HH22 ARG 91 HH22 ARG 91 -4.022 -34.762 6.596 723 H PHE 92 H PHE 92 -3.385 -25.722 5.858 724 HA PHE 92 HA PHE 92 -2.795 -27.134 3.423 725 HB2 PHE 92 HB2 PHE 92 -3.808 -24.316 3.982 726 HB3 PHE 92 HB3 PHE 92 -3.583 -24.942 2.358 727 HD1 PHE 92 HD2 PHE 92 -5.494 -25.457 5.504 728 HD2 PHE 92 HD1 PHE 92 -5.281 -26.289 1.331 729 HE1 PHE 92 HE2 PHE 92 -7.758 -26.394 5.581 730 HE2 PHE 92 HE1 PHE 92 -7.553 -27.227 1.406 731 HZ PHE 92 HZ PHE 92 -8.793 -27.282 3.533 732 H ASP 93 H ASP 93 -1.574 -24.143 4.956 733 HA ASP 93 HA ASP 93 0.913 -24.242 3.364 734 HB2 ASP 93 HB2 ASP 93 -0.928 -21.816 3.628 735 HB3 ASP 93 HB3 ASP 93 0.701 -21.757 2.964 736 H SER 94 H SER 94 2.299 -24.596 5.040 737 HA SER 94 HA SER 94 2.118 -23.246 7.590 738 HB2 SER 94 HB2 SER 94 3.010 -25.565 7.376 739 HB3 SER 94 HB3 SER 94 4.387 -24.944 6.469 740 HG SER 94 HG SER 94 4.398 -25.282 8.961 741 H ASP 95 H ASP 95 3.161 -22.184 4.595 742 HA ASP 95 HA ASP 95 5.388 -20.531 5.412 743 HB2 ASP 95 HB2 ASP 95 5.253 -19.571 3.134 744 HB3 ASP 95 HB3 ASP 95 5.271 -21.329 3.100 745 H LEU 96 H LEU 96 2.315 -20.261 6.431 746 HA LEU 96 HA LEU 96 1.856 -17.461 6.003 747 HB2 LEU 96 HB2 LEU 96 -0.039 -17.583 7.379 748 HB3 LEU 96 HB3 LEU 96 0.002 -19.130 6.556 749 HG LEU 96 HG LEU 96 0.994 -18.737 9.406 750 HD11 LEU 96 HD11 LEU 96 -1.115 -19.681 10.190 751 HD12 LEU 96 HD12 LEU 96 -1.737 -19.728 8.536 752 HD13 LEU 96 HD13 LEU 96 -1.391 -18.178 9.309 753 HD21 LEU 96 HD21 LEU 96 1.898 -20.709 8.284 754 HD22 LEU 96 HD22 LEU 96 0.261 -21.260 7.912 755 HD23 LEU 96 HD23 LEU 96 0.800 -21.150 9.590 756 H TRP 97 H TRP 97 2.122 -15.778 7.431 757 HA TRP 97 HA TRP 97 4.047 -16.124 9.642 758 HB2 TRP 97 HB2 TRP 97 3.215 -13.621 8.106 759 HB3 TRP 97 HB3 TRP 97 4.369 -13.656 9.434 760 HD1 TRP 97 HD1 TRP 97 4.172 -15.744 6.117 761 HE1 TRP 97 HE1 TRP 97 6.466 -15.586 4.992 762 HE3 TRP 97 HE3 TRP 97 6.487 -12.668 9.456 763 HZ2 TRP 97 HZ2 TRP 97 8.943 -14.307 5.434 764 HZ3 TRP 97 HZ3 TRP 97 8.824 -12.008 9.038 765 HH2 TRP 97 HH2 TRP 97 10.021 -12.811 7.066 766 H VAL 98 H VAL 98 3.257 -15.901 11.656 767 HA VAL 98 HA VAL 98 0.570 -14.740 12.035 768 HB VAL 98 HB VAL 98 2.167 -16.540 13.906 769 HG11 VAL 98 HG11 VAL 98 -0.641 -15.402 14.235 770 HG12 VAL 98 HG12 VAL 98 0.772 -14.960 15.196 771 HG13 VAL 98 HG13 VAL 98 0.106 -16.591 15.307 772 HG21 VAL 98 HG21 VAL 98 -0.332 -17.126 12.263 773 HG22 VAL 98 HG22 VAL 98 0.415 -18.236 13.414 774 HG23 VAL 98 HG23 VAL 98 1.286 -17.765 11.952 775 H VAL 99 H VAL 99 0.590 -12.675 12.605 776 HA VAL 99 HA VAL 99 2.768 -11.626 14.350 777 HB VAL 99 HB VAL 99 1.072 -9.998 12.397 778 HG11 VAL 99 HG11 VAL 99 3.478 -9.130 14.037 779 HG12 VAL 99 HG12 VAL 99 1.804 -8.657 14.330 780 HG13 VAL 99 HG13 VAL 99 2.621 -8.128 12.856 781 HG21 VAL 99 HG21 VAL 99 2.607 -11.482 11.167 782 HG22 VAL 99 HG22 VAL 99 3.966 -10.866 12.110 783 HG23 VAL 99 HG23 VAL 99 3.102 -9.793 11.005 784 H GLU 100 H GLU 100 2.067 -11.222 16.386 785 HA GLU 100 HA GLU 100 -0.783 -10.714 16.870 786 HB2 GLU 100 HB2 GLU 100 -0.196 -10.847 19.288 787 HB3 GLU 100 HB3 GLU 100 0.166 -12.312 18.390 788 HG2 GLU 100 HG2 GLU 100 2.548 -11.773 18.406 789 HG3 GLU 100 HG3 GLU 100 2.220 -10.233 19.208 790 H ILE 101 H ILE 101 -1.389 -8.711 16.489 791 HA ILE 101 HA ILE 101 0.224 -6.417 17.415 792 HB ILE 101 HB ILE 101 -1.215 -4.978 16.036 793 HG12 ILE 101 HG12 ILE 101 -2.728 -7.485 15.162 794 HG13 ILE 101 HG13 ILE 101 -3.361 -6.271 16.257 795 HG21 ILE 101 HG21 ILE 101 -0.578 -5.770 13.775 796 HG22 ILE 101 HG22 ILE 101 -0.235 -7.371 14.434 797 HG23 ILE 101 HG23 ILE 101 0.731 -5.988 14.935 798 HD11 ILE 101 HD11 ILE 101 -4.266 -5.994 14.049 799 HD12 ILE 101 HD12 ILE 101 -2.646 -5.851 13.368 800 HD13 ILE 101 HD13 ILE 101 -3.257 -4.609 14.467 801 H GLU 102 H GLU 102 -0.581 -5.091 19.021 802 HA GLU 102 HA GLU 102 -3.126 -5.814 20.339 803 HB2 GLU 102 HB2 GLU 102 -1.094 -6.381 21.685 804 HB3 GLU 102 HB3 GLU 102 -0.591 -4.695 21.623 805 HG2 GLU 102 HG2 GLU 102 -2.742 -4.096 22.807 806 HG3 GLU 102 HG3 GLU 102 -3.061 -5.823 22.978 807 H THR 103 H THR 103 -4.554 -4.275 19.844 808 HA THR 103 HA THR 103 -4.004 -1.474 20.174 809 HB THR 103 HB THR 103 -2.981 -1.622 17.994 810 HG1 THR 103 HG1 THR 103 -4.985 -0.575 16.740 811 HG21 THR 103 HG21 THR 103 -5.488 -3.019 16.987 812 HG22 THR 103 HG22 THR 103 -3.919 -3.786 17.253 813 HG23 THR 103 HG23 THR 103 -4.097 -2.549 16.007 814 H ASP 104 H ASP 104 -5.861 -0.147 19.665 815 HA ASP 104 HA ASP 104 -8.316 -1.257 20.709 816 HB2 ASP 104 HB2 ASP 104 -7.375 0.978 21.371 817 HB3 ASP 104 HB3 ASP 104 -7.609 1.553 19.731 818 H GLU 105 H GLU 105 -7.125 0.041 17.650 819 HA GLU 105 HA GLU 105 -9.587 -0.760 16.213 820 HB2 GLU 105 HB2 GLU 105 -9.342 1.345 14.844 821 HB3 GLU 105 HB3 GLU 105 -9.781 1.627 16.520 822 HG2 GLU 105 HG2 GLU 105 -7.417 2.191 17.036 823 HG3 GLU 105 HG3 GLU 105 -7.003 1.939 15.342 824 H ILE 106 H ILE 106 -9.172 -0.806 13.757 825 HA ILE 106 HA ILE 106 -6.553 -2.154 13.358 826 HB ILE 106 HB ILE 106 -8.362 -3.793 13.567 827 HG12 ILE 106 HG12 ILE 106 -7.972 -5.061 11.441 828 HG13 ILE 106 HG13 ILE 106 -7.265 -3.615 10.727 829 HG21 ILE 106 HG21 ILE 106 -10.286 -2.485 12.836 830 HG22 ILE 106 HG22 ILE 106 -10.191 -3.994 11.925 831 HG23 ILE 106 HG23 ILE 106 -9.682 -2.479 11.177 832 HD11 ILE 106 HD11 ILE 106 -5.599 -5.226 11.491 833 HD12 ILE 106 HD12 ILE 106 -6.194 -5.068 13.143 834 HD13 ILE 106 HD13 ILE 106 -5.454 -3.686 12.329 835 H GLY 107 H GLY 107 -9.056 -0.167 11.788 836 HA2 GLY 107 HA2 GLY 107 -8.238 -0.533 9.100 837 HA3 GLY 107 HA3 GLY 107 -9.235 0.780 9.705 838 H THR 108 H THR 108 -7.159 1.718 11.550 839 HA THR 108 HA THR 108 -5.833 3.582 9.852 840 HB THR 108 HB THR 108 -6.581 4.189 12.117 841 HG1 THR 108 HG1 THR 108 -4.993 5.531 11.556 842 HG21 THR 108 HG21 THR 108 -4.383 2.357 13.151 843 HG22 THR 108 HG22 THR 108 -6.117 2.060 13.303 844 HG23 THR 108 HG23 THR 108 -5.381 3.434 14.131 845 H LEU 109 H LEU 109 -4.890 0.472 11.151 846 HA LEU 109 HA LEU 109 -2.055 0.906 10.403 847 HB2 LEU 109 HB2 LEU 109 -1.548 -0.693 12.364 848 HB3 LEU 109 HB3 LEU 109 -1.975 0.961 12.731 849 HG LEU 109 HG LEU 109 -4.430 -0.040 13.031 850 HD11 LEU 109 HD11 LEU 109 -4.509 -2.289 13.919 851 HD12 LEU 109 HD12 LEU 109 -2.786 -2.510 13.621 852 HD13 LEU 109 HD13 LEU 109 -3.900 -2.314 12.263 853 HD21 LEU 109 HD21 LEU 109 -4.019 -0.331 15.426 854 HD22 LEU 109 HD22 LEU 109 -3.163 1.075 14.800 855 HD23 LEU 109 HD23 LEU 109 -2.279 -0.415 15.134 856 H LEU 110 H LEU 110 -4.730 -0.774 9.542 857 HA LEU 110 HA LEU 110 -3.309 -2.464 7.749 858 HB2 LEU 110 HB2 LEU 110 -3.067 -3.905 9.759 859 HB3 LEU 110 HB3 LEU 110 -4.799 -3.849 10.026 860 HG LEU 110 HG LEU 110 -5.147 -5.085 7.884 861 HD11 LEU 110 HD11 LEU 110 -3.168 -4.420 6.669 862 HD12 LEU 110 HD12 LEU 110 -3.276 -6.176 6.751 863 HD13 LEU 110 HD13 LEU 110 -2.143 -5.314 7.794 864 HD21 LEU 110 HD21 LEU 110 -3.343 -6.543 9.847 865 HD22 LEU 110 HD22 LEU 110 -4.432 -7.300 8.679 866 HD23 LEU 110 HD23 LEU 110 -5.093 -6.339 10.001 867 H THR 111 H THR 111 -4.573 -2.595 5.973 868 HA THR 111 HA THR 111 -7.330 -1.684 6.091 869 HB THR 111 HB THR 111 -5.665 -2.416 3.645 870 HG1 THR 111 HG1 THR 111 -6.377 0.195 4.465 871 HG21 THR 111 HG21 THR 111 -8.292 -0.897 3.885 872 HG22 THR 111 HG22 THR 111 -8.114 -2.531 3.238 873 HG23 THR 111 HG23 THR 111 -7.385 -1.163 2.392 874 H LEU 112 H LEU 112 -9.101 -2.882 5.727 875 HA LEU 112 HA LEU 112 -8.909 -5.754 5.050 876 HB2 LEU 112 HB2 LEU 112 -10.827 -4.526 7.065 877 HB3 LEU 112 HB3 LEU 112 -10.652 -6.237 6.687 878 HG LEU 112 HG LEU 112 -8.450 -4.572 7.970 879 HD11 LEU 112 HD11 LEU 112 -10.462 -6.363 9.311 880 HD12 LEU 112 HD12 LEU 112 -10.358 -4.604 9.435 881 HD13 LEU 112 HD13 LEU 112 -9.064 -5.608 10.080 882 HD21 LEU 112 HD21 LEU 112 -8.749 -7.580 7.698 883 HD22 LEU 112 HD22 LEU 112 -7.447 -6.741 8.549 884 HD23 LEU 112 HD23 LEU 112 -7.617 -6.560 6.805 885 H VAL 113 H VAL 113 -10.462 -6.438 3.611 886 HA VAL 113 HA VAL 113 -12.031 -4.545 2.142 887 HB VAL 113 HB VAL 113 -12.823 -6.522 0.823 888 HG11 VAL 113 HG11 VAL 113 -10.721 -5.438 0.156 889 HG12 VAL 113 HG12 VAL 113 -10.653 -7.172 -0.158 890 HG13 VAL 113 HG13 VAL 113 -9.811 -6.495 1.239 891 HG21 VAL 113 HG21 VAL 113 -11.122 -8.182 2.735 892 HG22 VAL 113 HG22 VAL 113 -11.905 -8.783 1.271 893 HG23 VAL 113 HG23 VAL 113 -12.886 -8.219 2.626 894 H ASP 114 H ASP 114 -12.563 -6.598 4.879 895 HA ASP 114 HA ASP 114 -15.464 -6.787 4.554 896 HB2 ASP 114 HB2 ASP 114 -14.253 -8.792 5.316 897 HB3 ASP 114 HB3 ASP 114 -13.599 -7.903 6.693 898 H GLN 115 H GLN 115 -13.245 -5.707 7.180 899 HA GLN 115 HA GLN 115 -15.303 -4.240 8.556 900 HB2 GLN 115 HB2 GLN 115 -12.280 -4.349 8.918 901 HB3 GLN 115 HB3 GLN 115 -13.340 -3.419 9.973 902 HG2 GLN 115 HG2 GLN 115 -13.480 -6.421 9.564 903 HG3 GLN 115 HG3 GLN 115 -12.706 -5.617 10.927 904 HE21 GLN 115 HE21 GLN 115 -14.009 -4.597 12.490 905 HE22 GLN 115 HE22 GLN 115 -15.688 -4.965 12.651 906 HA PRO 116 HA PRO 116 -15.212 -0.207 6.595 907 HB2 PRO 116 HB2 PRO 116 -15.057 1.490 8.832 908 HB3 PRO 116 HB3 PRO 116 -16.543 0.764 8.209 909 HG2 PRO 116 HG2 PRO 116 -14.759 -0.191 10.441 910 HG3 PRO 116 HG3 PRO 116 -16.533 -0.090 10.398 911 HD2 PRO 116 HD2 PRO 116 -15.331 -2.435 10.033 912 HD3 PRO 116 HD3 PRO 116 -16.728 -2.006 9.015 913 H GLN 117 H GLN 117 -13.548 0.603 5.532 914 HA GLN 117 HA GLN 117 -10.817 0.565 6.526 915 HB2 GLN 117 HB2 GLN 117 -11.905 1.629 3.876 916 HB3 GLN 117 HB3 GLN 117 -10.221 1.238 4.239 917 HG2 GLN 117 HG2 GLN 117 -10.796 -1.133 4.441 918 HG3 GLN 117 HG3 GLN 117 -12.498 -0.767 4.158 919 HE21 GLN 117 HE21 GLN 117 -10.759 -2.538 2.670 920 HE22 GLN 117 HE22 GLN 117 -10.742 -1.971 1.040 921 H ALA 118 H ALA 118 -13.107 2.966 5.299 922 HA ALA 118 HA ALA 118 -12.320 5.044 7.115 923 HB1 ALA 118 HB1 ALA 118 -11.628 5.408 4.166 924 HB2 ALA 118 HB2 ALA 118 -10.469 5.254 5.488 925 HB3 ALA 118 HB3 ALA 118 -11.532 6.661 5.406 Start of MODEL 11 1 H MET 1 H MET 1 0.338 0.001 -0.245 2 HA MET 1 HA MET 1 2.342 0.875 -1.186 3 HB2 MET 1 HB2 MET 1 3.516 1.199 1.013 4 HB3 MET 1 HB3 MET 1 3.742 -0.539 1.129 5 HG2 MET 1 HG2 MET 1 5.130 -0.471 -0.930 6 HG3 MET 1 HG3 MET 1 4.945 1.282 -0.978 7 HE1 MET 1 HE1 MET 1 5.106 1.861 2.279 8 HE2 MET 1 HE2 MET 1 5.857 2.883 1.052 9 HE3 MET 1 HE3 MET 1 6.816 2.270 2.401 10 H ARG 2 H ARG 2 2.725 -0.355 -2.932 11 HA ARG 2 HA ARG 2 2.296 -3.168 -3.093 12 HB2 ARG 2 HB2 ARG 2 2.122 -1.191 -4.892 13 HB3 ARG 2 HB3 ARG 2 3.804 -1.579 -5.196 14 HG2 ARG 2 HG2 ARG 2 1.561 -3.611 -5.400 15 HG3 ARG 2 HG3 ARG 2 2.081 -2.604 -6.743 16 HD2 ARG 2 HD2 ARG 2 3.196 -4.602 -7.131 17 HD3 ARG 2 HD3 ARG 2 4.429 -3.632 -6.326 18 HE ARG 2 HE ARG 2 3.126 -5.102 -4.348 19 HH11 ARG 2 HH11 ARG 2 5.138 -5.776 -7.145 20 HH12 ARG 2 HH12 ARG 2 5.726 -7.278 -6.509 21 HH21 ARG 2 HH21 ARG 2 3.911 -7.082 -3.536 22 HH22 ARG 2 HH22 ARG 2 5.048 -8.000 -4.466 23 H LEU 3 H LEU 3 3.678 -4.247 -1.721 24 HA LEU 3 HA LEU 3 6.555 -4.325 -2.343 25 HB2 LEU 3 HB2 LEU 3 6.883 -4.426 0.300 26 HB3 LEU 3 HB3 LEU 3 6.836 -2.892 -0.547 27 HG LEU 3 HG LEU 3 4.531 -2.501 0.198 28 HD11 LEU 3 HD11 LEU 3 4.680 -5.150 1.629 29 HD12 LEU 3 HD12 LEU 3 3.669 -4.765 0.234 30 HD13 LEU 3 HD13 LEU 3 3.385 -3.959 1.771 31 HD21 LEU 3 HD21 LEU 3 6.272 -3.284 2.550 32 HD22 LEU 3 HD22 LEU 3 4.908 -2.163 2.578 33 HD23 LEU 3 HD23 LEU 3 6.361 -1.757 1.669 34 H LYS 4 H LYS 4 7.575 -6.113 -0.745 35 HA LYS 4 HA LYS 4 6.364 -8.637 -1.214 36 HB2 LYS 4 HB2 LYS 4 8.526 -7.888 0.801 37 HB3 LYS 4 HB3 LYS 4 8.081 -9.539 0.374 38 HG2 LYS 4 HG2 LYS 4 8.815 -9.079 -1.971 39 HG3 LYS 4 HG3 LYS 4 9.369 -7.480 -1.452 40 HD2 LYS 4 HD2 LYS 4 10.381 -10.166 -0.414 41 HD3 LYS 4 HD3 LYS 4 11.242 -9.097 -1.525 42 HE2 LYS 4 HE2 LYS 4 11.400 -7.378 0.237 43 HE3 LYS 4 HE3 LYS 4 10.483 -8.403 1.340 44 HZ1 LYS 4 HZ1 LYS 4 12.264 -10.029 1.252 45 HZ2 LYS 4 HZ2 LYS 4 12.825 -8.528 1.786 46 HZ3 LYS 4 HZ3 LYS 4 13.148 -9.035 0.206 47 H SER 5 H SER 5 5.570 -10.134 0.344 48 HA SER 5 HA SER 5 3.684 -9.264 2.240 49 HB2 SER 5 HB2 SER 5 5.047 -11.977 1.953 50 HB3 SER 5 HB3 SER 5 3.513 -11.674 2.768 51 HG SER 5 HG SER 5 3.883 -12.212 0.232 52 H GLU 6 H GLU 6 7.045 -10.319 2.555 53 HA GLU 6 HA GLU 6 7.355 -10.250 5.372 54 HB2 GLU 6 HB2 GLU 6 8.956 -11.396 3.926 55 HB3 GLU 6 HB3 GLU 6 9.330 -9.919 3.060 56 HG2 GLU 6 HG2 GLU 6 9.937 -10.104 6.011 57 HG3 GLU 6 HG3 GLU 6 10.994 -10.925 4.864 58 H MET 7 H MET 7 7.929 -7.847 2.832 59 HA MET 7 HA MET 7 8.895 -5.807 4.566 60 HB2 MET 7 HB2 MET 7 9.387 -5.980 2.105 61 HB3 MET 7 HB3 MET 7 7.728 -5.509 1.766 62 HG2 MET 7 HG2 MET 7 9.147 -3.605 1.447 63 HG3 MET 7 HG3 MET 7 8.185 -3.316 2.890 64 HE1 MET 7 HE1 MET 7 10.768 -3.064 5.708 65 HE2 MET 7 HE2 MET 7 9.428 -4.174 5.431 66 HE3 MET 7 HE3 MET 7 9.237 -2.457 5.073 67 H PHE 8 H PHE 8 5.717 -6.932 3.752 68 HA PHE 8 HA PHE 8 4.269 -4.525 4.379 69 HB2 PHE 8 HB2 PHE 8 3.347 -6.271 2.824 70 HB3 PHE 8 HB3 PHE 8 3.215 -7.386 4.174 71 HD1 PHE 8 HD1 PHE 8 1.939 -4.160 2.802 72 HD2 PHE 8 HD2 PHE 8 1.315 -7.248 5.695 73 HE1 PHE 8 HE1 PHE 8 -0.263 -3.221 3.333 74 HE2 PHE 8 HE2 PHE 8 -0.891 -6.292 6.211 75 HZ PHE 8 HZ PHE 8 -1.683 -4.284 5.034 76 H VAL 9 H VAL 9 4.950 -7.636 6.041 77 HA VAL 9 HA VAL 9 3.458 -7.010 8.395 78 HB VAL 9 HB VAL 9 4.582 -8.920 9.485 79 HG11 VAL 9 HG11 VAL 9 2.631 -9.334 8.080 80 HG12 VAL 9 HG12 VAL 9 3.756 -10.689 7.989 81 HG13 VAL 9 HG13 VAL 9 3.668 -9.524 6.663 82 HG21 VAL 9 HG21 VAL 9 6.252 -9.177 6.967 83 HG22 VAL 9 HG22 VAL 9 6.223 -10.321 8.312 84 HG23 VAL 9 HG23 VAL 9 6.849 -8.693 8.556 85 H SER 10 H SER 10 6.859 -6.620 7.529 86 HA SER 10 HA SER 10 7.907 -5.718 9.959 87 HB2 SER 10 HB2 SER 10 9.253 -6.274 7.926 88 HB3 SER 10 HB3 SER 10 8.683 -4.791 7.159 89 HG SER 10 HG SER 10 10.803 -4.986 8.547 90 H ALA 11 H ALA 11 6.316 -3.921 7.341 91 HA ALA 11 HA ALA 11 6.450 -1.346 8.578 92 HB1 ALA 11 HB1 ALA 11 4.916 -0.640 6.781 93 HB2 ALA 11 HB2 ALA 11 4.625 -2.329 6.351 94 HB3 ALA 11 HB3 ALA 11 6.229 -1.625 6.135 95 H LEU 12 H LEU 12 4.103 -3.967 8.614 96 HA LEU 12 HA LEU 12 1.800 -2.592 9.494 97 HB2 LEU 12 HB2 LEU 12 2.078 -4.940 8.417 98 HB3 LEU 12 HB3 LEU 12 2.363 -5.515 10.045 99 HG LEU 12 HG LEU 12 -0.217 -4.153 9.135 100 HD11 LEU 12 HD11 LEU 12 0.356 -7.115 9.452 101 HD12 LEU 12 HD12 LEU 12 0.154 -6.253 7.926 102 HD13 LEU 12 HD13 LEU 12 -1.201 -6.385 9.040 103 HD21 LEU 12 HD21 LEU 12 -1.232 -5.100 11.176 104 HD22 LEU 12 HD22 LEU 12 0.084 -4.002 11.576 105 HD23 LEU 12 HD23 LEU 12 0.338 -5.745 11.673 106 H ILE 13 H ILE 13 4.304 -4.347 11.176 107 HA ILE 13 HA ILE 13 3.326 -4.293 13.785 108 HB ILE 13 HB ILE 13 6.124 -4.479 12.607 109 HG12 ILE 13 HG12 ILE 13 4.498 -6.603 14.071 110 HG13 ILE 13 HG13 ILE 13 4.332 -6.330 12.343 111 HG21 ILE 13 HG21 ILE 13 5.460 -4.753 15.559 112 HG22 ILE 13 HG22 ILE 13 6.459 -3.495 14.828 113 HG23 ILE 13 HG23 ILE 13 7.003 -5.173 14.812 114 HD11 ILE 13 HD11 ILE 13 6.833 -7.209 13.763 115 HD12 ILE 13 HD12 ILE 13 6.668 -6.917 12.026 116 HD13 ILE 13 HD13 ILE 13 5.742 -8.207 12.797 117 H ARG 14 H ARG 14 5.360 -1.902 12.074 118 HA ARG 14 HA ARG 14 5.583 -0.144 14.347 119 HB2 ARG 14 HB2 ARG 14 6.336 0.167 11.431 120 HB3 ARG 14 HB3 ARG 14 6.438 1.528 12.538 121 HG2 ARG 14 HG2 ARG 14 8.628 0.536 12.350 122 HG3 ARG 14 HG3 ARG 14 8.011 0.219 13.971 123 HD2 ARG 14 HD2 ARG 14 7.407 -2.080 13.275 124 HD3 ARG 14 HD3 ARG 14 8.031 -1.745 11.657 125 HE ARG 14 HE ARG 14 9.843 -1.483 13.950 126 HH11 ARG 14 HH11 ARG 14 8.964 -3.266 11.059 127 HH12 ARG 14 HH12 ARG 14 10.406 -4.224 11.064 128 HH21 ARG 14 HH21 ARG 14 11.736 -2.746 13.942 129 HH22 ARG 14 HH22 ARG 14 11.974 -3.924 12.693 130 H ARG 15 H ARG 15 3.200 -0.505 11.797 131 HA ARG 15 HA ARG 15 1.920 2.015 11.901 132 HB2 ARG 15 HB2 ARG 15 0.600 -0.706 11.484 133 HB3 ARG 15 HB3 ARG 15 -0.159 0.847 11.152 134 HG2 ARG 15 HG2 ARG 15 1.536 1.260 9.380 135 HG3 ARG 15 HG3 ARG 15 2.228 -0.332 9.702 136 HD2 ARG 15 HD2 ARG 15 0.788 -0.566 7.789 137 HD3 ARG 15 HD3 ARG 15 -0.040 -1.341 9.141 138 HE ARG 15 HE ARG 15 -1.092 1.146 9.190 139 HH11 ARG 15 HH11 ARG 15 -0.686 -1.118 6.533 140 HH12 ARG 15 HH12 ARG 15 -2.090 -0.566 5.685 141 HH21 ARG 15 HH21 ARG 15 -2.962 1.831 8.080 142 HH22 ARG 15 HH22 ARG 15 -3.390 1.099 6.565 143 H VAL 16 H VAL 16 1.451 -0.938 13.865 144 HA VAL 16 HA VAL 16 -0.734 0.159 15.380 145 HB VAL 16 HB VAL 16 -0.827 -1.868 16.623 146 HG11 VAL 16 HG11 VAL 16 -0.830 -3.638 14.911 147 HG12 VAL 16 HG12 VAL 16 0.145 -2.627 13.841 148 HG13 VAL 16 HG13 VAL 16 -1.493 -2.137 14.266 149 HG21 VAL 16 HG21 VAL 16 0.932 -3.570 16.697 150 HG22 VAL 16 HG22 VAL 16 1.538 -2.029 17.302 151 HG23 VAL 16 HG23 VAL 16 1.967 -2.569 15.680 152 H PHE 17 H PHE 17 2.774 -0.193 15.945 153 HA PHE 17 HA PHE 17 2.795 0.705 18.651 154 HB2 PHE 17 HB2 PHE 17 4.950 0.466 16.527 155 HB3 PHE 17 HB3 PHE 17 5.309 1.261 18.055 156 HD1 PHE 17 HD2 PHE 17 4.978 -0.056 20.225 157 HD2 PHE 17 HD1 PHE 17 4.985 -1.942 16.399 158 HE1 PHE 17 HE2 PHE 17 5.424 -2.228 21.289 159 HE2 PHE 17 HE1 PHE 17 5.417 -4.111 17.468 160 HZ PHE 17 HZ PHE 17 5.645 -4.254 19.913 161 H ALA 18 H ALA 18 2.777 2.396 15.580 162 HA ALA 18 HA ALA 18 3.227 5.044 16.530 163 HB1 ALA 18 HB1 ALA 18 2.195 5.752 14.411 164 HB2 ALA 18 HB2 ALA 18 1.600 4.110 14.137 165 HB3 ALA 18 HB3 ALA 18 3.335 4.432 14.145 166 H ALA 19 H ALA 19 0.391 2.952 16.447 167 HA ALA 19 HA ALA 19 -1.420 5.022 17.498 168 HB1 ALA 19 HB1 ALA 19 -1.939 2.102 16.807 169 HB2 ALA 19 HB2 ALA 19 -2.259 3.488 15.761 170 HB3 ALA 19 HB3 ALA 19 -3.163 3.293 17.263 171 H GLY 20 H GLY 20 0.930 3.200 18.877 172 HA2 GLY 20 HA2 GLY 20 1.438 3.095 21.153 173 HA3 GLY 20 HA3 GLY 20 -0.245 3.403 21.550 174 H GLY 21 H GLY 21 -0.544 1.065 19.359 175 HA2 GLY 21 HA2 GLY 21 -0.996 -1.043 21.251 176 HA3 GLY 21 HA3 GLY 21 -1.218 -1.116 19.511 177 H PHE 22 H PHE 22 -0.347 -3.329 20.270 178 HA PHE 22 HA PHE 22 2.626 -3.438 20.282 179 HB2 PHE 22 HB2 PHE 22 1.701 -4.210 22.429 180 HB3 PHE 22 HB3 PHE 22 0.582 -5.292 21.607 181 HD1 PHE 22 HD1 PHE 22 4.273 -4.649 21.980 182 HD2 PHE 22 HD2 PHE 22 1.207 -7.568 21.337 183 HE1 PHE 22 HE1 PHE 22 5.948 -6.442 22.079 184 HE2 PHE 22 HE2 PHE 22 2.895 -9.355 21.444 185 HZ PHE 22 HZ PHE 22 5.267 -8.794 21.812 186 H ALA 23 H ALA 23 3.580 -5.208 19.089 187 HA ALA 23 HA ALA 23 1.942 -6.986 17.520 188 HB1 ALA 23 HB1 ALA 23 3.660 -4.941 16.087 189 HB2 ALA 23 HB2 ALA 23 1.902 -5.060 16.036 190 HB3 ALA 23 HB3 ALA 23 2.886 -6.335 15.322 191 H ALA 24 H ALA 24 3.111 -8.650 16.484 192 HA ALA 24 HA ALA 24 5.957 -8.908 16.591 193 HB1 ALA 24 HB1 ALA 24 4.363 -10.595 18.567 194 HB2 ALA 24 HB2 ALA 24 5.496 -9.308 18.985 195 HB3 ALA 24 HB3 ALA 24 6.084 -10.777 18.204 196 H VAL 25 H VAL 25 6.357 -10.029 14.782 197 HA VAL 25 HA VAL 25 4.341 -11.663 13.515 198 HB VAL 25 HB VAL 25 5.662 -10.323 12.034 199 HG11 VAL 25 HG11 VAL 25 8.115 -10.554 11.721 200 HG12 VAL 25 HG12 VAL 25 8.170 -11.668 13.090 201 HG13 VAL 25 HG13 VAL 25 7.694 -9.987 13.342 202 HG21 VAL 25 HG21 VAL 25 4.983 -12.506 11.128 203 HG22 VAL 25 HG22 VAL 25 6.496 -13.226 11.682 204 HG23 VAL 25 HG23 VAL 25 6.518 -11.992 10.420 205 H GLU 26 H GLU 26 3.906 -13.423 14.642 206 HA GLU 26 HA GLU 26 5.670 -15.086 16.099 207 HB2 GLU 26 HB2 GLU 26 2.880 -15.686 15.015 208 HB3 GLU 26 HB3 GLU 26 3.718 -16.627 16.252 209 HG2 GLU 26 HG2 GLU 26 3.686 -14.668 17.759 210 HG3 GLU 26 HG3 GLU 26 2.848 -13.728 16.521 211 H LYS 27 H LYS 27 3.819 -15.893 13.110 212 HA LYS 27 HA LYS 27 5.773 -18.016 12.487 213 HB2 LYS 27 HB2 LYS 27 3.410 -18.699 12.540 214 HB3 LYS 27 HB3 LYS 27 3.001 -17.470 11.348 215 HG2 LYS 27 HG2 LYS 27 4.330 -18.627 9.644 216 HG3 LYS 27 HG3 LYS 27 4.847 -19.824 10.833 217 HD2 LYS 27 HD2 LYS 27 2.565 -20.664 11.048 218 HD3 LYS 27 HD3 LYS 27 1.955 -19.390 9.987 219 HE2 LYS 27 HE2 LYS 27 2.138 -21.534 8.797 220 HE3 LYS 27 HE3 LYS 27 3.224 -20.335 8.103 221 HZ1 LYS 27 HZ1 LYS 27 5.039 -21.371 9.362 222 HZ2 LYS 27 HZ2 LYS 27 4.317 -22.439 8.270 223 HZ3 LYS 27 HZ3 LYS 27 3.970 -22.555 9.918 224 H LYS 28 H LYS 28 6.854 -18.094 10.546 225 HA LYS 28 HA LYS 28 6.728 -15.745 8.751 226 HB2 LYS 28 HB2 LYS 28 8.791 -15.699 10.113 227 HB3 LYS 28 HB3 LYS 28 9.187 -17.343 9.620 228 HG2 LYS 28 HG2 LYS 28 9.504 -16.618 7.311 229 HG3 LYS 28 HG3 LYS 28 8.971 -14.988 7.723 230 HD2 LYS 28 HD2 LYS 28 10.950 -14.781 9.257 231 HD3 LYS 28 HD3 LYS 28 11.501 -16.368 8.706 232 HE2 LYS 28 HE2 LYS 28 11.694 -15.504 6.400 233 HE3 LYS 28 HE3 LYS 28 11.109 -13.927 6.928 234 HZ1 LYS 28 HZ1 LYS 28 13.482 -13.913 6.746 235 HZ2 LYS 28 HZ2 LYS 28 13.624 -15.244 7.777 236 HZ3 LYS 28 HZ3 LYS 28 13.058 -13.770 8.373 237 H GLY 29 H GLY 29 6.522 -16.215 6.614 238 HA2 GLY 29 HA2 GLY 29 7.022 -18.981 5.637 239 HA3 GLY 29 HA3 GLY 29 5.645 -18.018 5.113 240 H ALA 30 H ALA 30 6.043 -17.590 3.005 241 HA ALA 30 HA ALA 30 8.717 -17.081 1.991 242 HB1 ALA 30 HB1 ALA 30 7.143 -18.446 0.680 243 HB2 ALA 30 HB2 ALA 30 7.639 -17.016 -0.226 244 HB3 ALA 30 HB3 ALA 30 6.046 -17.071 0.534 245 H GLU 31 H GLU 31 9.535 -15.129 1.251 246 HA GLU 31 HA GLU 31 8.679 -12.799 2.590 247 HB2 GLU 31 HB2 GLU 31 10.675 -13.108 0.316 248 HB3 GLU 31 HB3 GLU 31 10.420 -11.603 1.197 249 HG2 GLU 31 HG2 GLU 31 11.086 -12.782 3.302 250 HG3 GLU 31 HG3 GLU 31 11.468 -14.214 2.339 251 H ALA 32 H ALA 32 8.619 -13.496 -0.941 252 HA ALA 32 HA ALA 32 7.016 -11.081 -1.418 253 HB1 ALA 32 HB1 ALA 32 8.949 -11.534 -2.868 254 HB2 ALA 32 HB2 ALA 32 7.448 -11.511 -3.794 255 HB3 ALA 32 HB3 ALA 32 8.215 -13.051 -3.396 256 H ALA 33 H ALA 33 6.774 -14.580 -2.246 257 HA ALA 33 HA ALA 33 4.021 -14.250 -3.178 258 HB1 ALA 33 HB1 ALA 33 5.622 -15.591 -4.488 259 HB2 ALA 33 HB2 ALA 33 4.234 -16.557 -3.985 260 HB3 ALA 33 HB3 ALA 33 5.780 -16.726 -3.146 261 H GLY 34 H GLY 34 5.166 -14.597 -0.131 262 HA2 GLY 34 HA2 GLY 34 3.595 -16.758 0.916 263 HA3 GLY 34 HA3 GLY 34 4.391 -15.492 1.840 264 H ALA 35 H ALA 35 1.680 -16.664 2.158 265 HA ALA 35 HA ALA 35 -0.107 -14.374 1.752 266 HB1 ALA 35 HB1 ALA 35 -0.529 -16.983 3.265 267 HB2 ALA 35 HB2 ALA 35 -1.023 -16.660 1.602 268 HB3 ALA 35 HB3 ALA 35 -1.778 -15.778 2.932 269 H ILE 36 H ILE 36 -1.263 -13.486 3.787 270 HA ILE 36 HA ILE 36 0.467 -13.411 6.187 271 HB ILE 36 HB ILE 36 -0.789 -10.883 5.008 272 HG12 ILE 36 HG12 ILE 36 1.155 -11.515 3.622 273 HG13 ILE 36 HG13 ILE 36 1.485 -10.049 4.537 274 HG21 ILE 36 HG21 ILE 36 -0.682 -10.856 7.460 275 HG22 ILE 36 HG22 ILE 36 0.459 -9.689 6.793 276 HG23 ILE 36 HG23 ILE 36 1.044 -11.235 7.416 277 HD11 ILE 36 HD11 ILE 36 3.424 -11.392 4.566 278 HD12 ILE 36 HD12 ILE 36 2.525 -12.819 5.064 279 HD13 ILE 36 HD13 ILE 36 2.728 -11.470 6.178 280 H PHE 37 H PHE 37 -0.746 -13.914 7.883 281 HA PHE 37 HA PHE 37 -3.585 -13.140 8.007 282 HB2 PHE 37 HB2 PHE 37 -2.267 -15.744 8.860 283 HB3 PHE 37 HB3 PHE 37 -3.803 -15.227 9.548 284 HD1 PHE 37 HD1 PHE 37 -2.153 -15.992 6.263 285 HD2 PHE 37 HD2 PHE 37 -5.842 -15.673 8.404 286 HE1 PHE 37 HE1 PHE 37 -3.355 -16.940 4.342 287 HE2 PHE 37 HE2 PHE 37 -7.034 -16.624 6.479 288 HZ PHE 37 HZ PHE 37 -5.797 -17.262 4.447 289 H VAL 38 H VAL 38 -3.802 -11.596 9.445 290 HA VAL 38 HA VAL 38 -1.932 -11.349 11.729 291 HB VAL 38 HB VAL 38 -3.606 -9.175 10.373 292 HG11 VAL 38 HG11 VAL 38 -1.480 -8.915 12.543 293 HG12 VAL 38 HG12 VAL 38 -3.217 -8.683 12.773 294 HG13 VAL 38 HG13 VAL 38 -2.308 -7.572 11.745 295 HG21 VAL 38 HG21 VAL 38 -1.750 -10.009 8.944 296 HG22 VAL 38 HG22 VAL 38 -0.607 -9.636 10.242 297 HG23 VAL 38 HG23 VAL 38 -1.509 -8.340 9.459 298 H ARG 39 H ARG 39 -2.762 -11.438 13.714 299 HA ARG 39 HA ARG 39 -5.683 -11.645 14.080 300 HB2 ARG 39 HB2 ARG 39 -5.047 -12.915 16.193 301 HB3 ARG 39 HB3 ARG 39 -4.646 -13.713 14.675 302 HG2 ARG 39 HG2 ARG 39 -2.291 -12.955 14.920 303 HG3 ARG 39 HG3 ARG 39 -2.704 -12.225 16.472 304 HD2 ARG 39 HD2 ARG 39 -2.906 -15.179 15.804 305 HD3 ARG 39 HD3 ARG 39 -1.599 -14.423 16.719 306 HE ARG 39 HE ARG 39 -4.416 -14.415 17.639 307 HH11 ARG 39 HH11 ARG 39 -1.016 -14.970 18.303 308 HH12 ARG 39 HH12 ARG 39 -1.279 -15.332 19.980 309 HH21 ARG 39 HH21 ARG 39 -4.747 -14.873 19.850 310 HH22 ARG 39 HH22 ARG 39 -3.394 -15.288 20.848 311 H GLN 40 H GLN 40 -6.540 -9.806 14.876 312 HA GLN 40 HA GLN 40 -5.015 -7.944 16.504 313 HB2 GLN 40 HB2 GLN 40 -6.485 -6.668 15.244 314 HB3 GLN 40 HB3 GLN 40 -7.730 -7.902 15.232 315 HG2 GLN 40 HG2 GLN 40 -8.499 -7.276 17.423 316 HG3 GLN 40 HG3 GLN 40 -7.112 -6.224 17.680 317 HE21 GLN 40 HE21 GLN 40 -7.227 -4.142 16.997 318 HE22 GLN 40 HE22 GLN 40 -8.603 -3.445 16.227 319 H ARG 41 H ARG 41 -5.405 -7.448 18.642 320 HA ARG 41 HA ARG 41 -7.152 -9.206 20.234 321 HB2 ARG 41 HB2 ARG 41 -4.768 -9.854 20.554 322 HB3 ARG 41 HB3 ARG 41 -4.374 -8.195 20.971 323 HG2 ARG 41 HG2 ARG 41 -5.840 -8.324 22.948 324 HG3 ARG 41 HG3 ARG 41 -6.263 -9.987 22.535 325 HD2 ARG 41 HD2 ARG 41 -3.475 -9.008 23.220 326 HD3 ARG 41 HD3 ARG 41 -4.561 -9.833 24.339 327 HE ARG 41 HE ARG 41 -3.059 -10.998 22.129 328 HH11 ARG 41 HH11 ARG 41 -5.617 -11.549 24.492 329 HH12 ARG 41 HH12 ARG 41 -5.434 -13.270 24.446 330 HH21 ARG 41 HH21 ARG 41 -2.842 -13.243 22.110 331 HH22 ARG 41 HH22 ARG 41 -3.855 -14.227 23.120 332 H LEU 42 H LEU 42 -8.658 -7.925 21.068 333 HA LEU 42 HA LEU 42 -8.269 -5.106 21.589 334 HB2 LEU 42 HB2 LEU 42 -10.646 -6.916 22.235 335 HB3 LEU 42 HB3 LEU 42 -10.622 -5.172 22.414 336 HG LEU 42 HG LEU 42 -11.861 -5.601 20.431 337 HD11 LEU 42 HD11 LEU 42 -9.105 -4.845 19.497 338 HD12 LEU 42 HD12 LEU 42 -10.310 -3.754 20.187 339 HD13 LEU 42 HD13 LEU 42 -10.626 -4.552 18.648 340 HD21 LEU 42 HD21 LEU 42 -9.665 -7.428 19.441 341 HD22 LEU 42 HD22 LEU 42 -11.140 -6.999 18.573 342 HD23 LEU 42 HD23 LEU 42 -11.239 -7.932 20.062 343 H ARG 43 H ARG 43 -7.849 -4.246 23.560 344 HA ARG 43 HA ARG 43 -6.777 -5.715 25.694 345 HB2 ARG 43 HB2 ARG 43 -6.932 -3.509 26.959 346 HB3 ARG 43 HB3 ARG 43 -6.074 -3.466 25.431 347 HG2 ARG 43 HG2 ARG 43 -7.317 -1.477 25.439 348 HG3 ARG 43 HG3 ARG 43 -8.246 -2.545 24.391 349 HD2 ARG 43 HD2 ARG 43 -9.771 -3.014 26.320 350 HD3 ARG 43 HD3 ARG 43 -8.854 -1.851 27.286 351 HE ARG 43 HE ARG 43 -9.703 -0.610 24.909 352 HH11 ARG 43 HH11 ARG 43 -11.086 -1.800 27.899 353 HH12 ARG 43 HH12 ARG 43 -12.420 -0.697 27.851 354 HH21 ARG 43 HH21 ARG 43 -11.453 0.817 24.870 355 HH22 ARG 43 HH22 ARG 43 -12.619 0.787 26.154 356 H ASP 44 H ASP 44 -10.007 -5.200 24.870 357 HA ASP 44 HA ASP 44 -11.345 -5.343 27.357 358 HB2 ASP 44 HB2 ASP 44 -12.314 -6.171 24.574 359 HB3 ASP 44 HB3 ASP 44 -13.338 -5.799 25.960 360 H GLY 45 H GLY 45 -10.310 -7.783 24.982 361 HA2 GLY 45 HA2 GLY 45 -9.636 -9.914 26.314 362 HA3 GLY 45 HA3 GLY 45 -11.356 -9.985 26.647 363 H ARG 46 H ARG 46 -11.487 -8.757 23.700 364 HA ARG 46 HA ARG 46 -11.996 -11.384 22.505 365 HB2 ARG 46 HB2 ARG 46 -12.555 -8.630 21.316 366 HB3 ARG 46 HB3 ARG 46 -13.251 -10.171 20.822 367 HG2 ARG 46 HG2 ARG 46 -13.741 -8.773 23.478 368 HG3 ARG 46 HG3 ARG 46 -14.849 -8.786 22.099 369 HD2 ARG 46 HD2 ARG 46 -15.096 -11.232 22.300 370 HD3 ARG 46 HD3 ARG 46 -13.947 -11.245 23.649 371 HE ARG 46 HE ARG 46 -15.595 -9.796 24.844 372 HH11 ARG 46 HH11 ARG 46 -16.779 -11.942 22.322 373 HH12 ARG 46 HH12 ARG 46 -18.347 -12.101 23.045 374 HH21 ARG 46 HH21 ARG 46 -17.638 -10.016 25.765 375 HH22 ARG 46 HH22 ARG 46 -18.836 -11.012 25.002 376 H GLU 47 H GLU 47 -11.389 -11.756 20.250 377 HA GLU 47 HA GLU 47 -8.910 -10.449 19.322 378 HB2 GLU 47 HB2 GLU 47 -9.466 -13.426 19.584 379 HB3 GLU 47 HB3 GLU 47 -8.485 -12.874 18.239 380 HG2 GLU 47 HG2 GLU 47 -6.899 -13.481 19.828 381 HG3 GLU 47 HG3 GLU 47 -6.986 -11.733 19.983 382 H ASN 48 H ASN 48 -8.537 -10.930 16.985 383 HA ASN 48 HA ASN 48 -10.873 -11.452 15.277 384 HB2 ASN 48 HB2 ASN 48 -9.137 -8.936 15.112 385 HB3 ASN 48 HB3 ASN 48 -10.144 -9.489 13.785 386 HD21 ASN 48 HD21 ASN 48 -10.238 -8.346 17.110 387 HD22 ASN 48 HD22 ASN 48 -11.806 -7.635 17.009 388 H LEU 49 H LEU 49 -10.124 -11.894 13.021 389 HA LEU 49 HA LEU 49 -7.246 -12.407 12.687 390 HB2 LEU 49 HB2 LEU 49 -9.036 -14.507 13.065 391 HB3 LEU 49 HB3 LEU 49 -9.001 -14.405 11.323 392 HG LEU 49 HG LEU 49 -6.556 -14.786 13.089 393 HD11 LEU 49 HD11 LEU 49 -7.960 -16.757 13.186 394 HD12 LEU 49 HD12 LEU 49 -6.505 -17.101 12.253 395 HD13 LEU 49 HD13 LEU 49 -8.041 -16.825 11.424 396 HD21 LEU 49 HD21 LEU 49 -5.347 -15.338 11.003 397 HD22 LEU 49 HD22 LEU 49 -5.932 -13.675 11.007 398 HD23 LEU 49 HD23 LEU 49 -6.782 -14.904 10.065 399 H TYR 50 H TYR 50 -6.529 -12.000 10.652 400 HA TYR 50 HA TYR 50 -8.391 -10.993 8.606 401 HB2 TYR 50 HB2 TYR 50 -5.769 -9.615 9.393 402 HB3 TYR 50 HB3 TYR 50 -6.944 -9.052 8.199 403 HD1 TYR 50 HD1 TYR 50 -9.369 -8.592 9.095 404 HD2 TYR 50 HD2 TYR 50 -5.934 -8.796 11.614 405 HE1 TYR 50 HE1 TYR 50 -10.586 -7.390 10.844 406 HE2 TYR 50 HE2 TYR 50 -7.151 -7.580 13.353 407 HH TYR 50 HH TYR 50 -10.515 -7.078 13.269 408 H GLY 51 H GLY 51 -7.611 -11.257 6.482 409 HA2 GLY 51 HA2 GLY 51 -5.072 -12.687 6.039 410 HA3 GLY 51 HA3 GLY 51 -6.570 -13.486 5.557 411 HA PRO 52 HA PRO 52 -5.074 -10.580 2.096 412 HB2 PRO 52 HB2 PRO 52 -4.877 -13.113 0.508 413 HB3 PRO 52 HB3 PRO 52 -3.730 -11.772 0.627 414 HG2 PRO 52 HG2 PRO 52 -3.204 -14.130 1.799 415 HG3 PRO 52 HG3 PRO 52 -2.753 -12.602 2.589 416 HD2 PRO 52 HD2 PRO 52 -5.155 -14.370 3.123 417 HD3 PRO 52 HD3 PRO 52 -4.033 -13.613 4.282 418 H ALA 53 H ALA 53 -6.924 -9.661 1.416 419 HA ALA 53 HA ALA 53 -9.444 -10.905 1.116 420 HB1 ALA 53 HB1 ALA 53 -9.193 -8.496 1.564 421 HB2 ALA 53 HB2 ALA 53 -10.156 -8.757 0.110 422 HB3 ALA 53 HB3 ALA 53 -8.466 -8.257 -0.025 423 HA PRO 54 HA PRO 54 -9.244 -12.443 -3.147 424 HB2 PRO 54 HB2 PRO 54 -11.842 -12.108 -3.988 425 HB3 PRO 54 HB3 PRO 54 -11.353 -13.389 -2.870 426 HG2 PRO 54 HG2 PRO 54 -12.616 -10.721 -2.266 427 HG3 PRO 54 HG3 PRO 54 -12.999 -12.318 -1.587 428 HD2 PRO 54 HD2 PRO 54 -11.459 -10.512 -0.252 429 HD3 PRO 54 HD3 PRO 54 -11.199 -12.264 -0.100 430 H GLN 55 H GLN 55 -7.820 -10.770 -3.753 431 HA GLN 55 HA GLN 55 -8.456 -8.114 -4.382 432 HB2 GLN 55 HB2 GLN 55 -6.135 -9.065 -3.970 433 HB3 GLN 55 HB3 GLN 55 -6.185 -9.780 -5.579 434 HG2 GLN 55 HG2 GLN 55 -6.383 -7.486 -6.548 435 HG3 GLN 55 HG3 GLN 55 -6.256 -6.809 -4.924 436 HE21 GLN 55 HE21 GLN 55 -4.501 -6.245 -7.102 437 HE22 GLN 55 HE22 GLN 55 -2.924 -6.770 -6.636 438 H SER 56 H SER 56 -9.112 -7.114 -6.283 439 HA SER 56 HA SER 56 -10.353 -8.723 -8.348 440 HB2 SER 56 HB2 SER 56 -9.992 -5.696 -8.148 441 HB3 SER 56 HB3 SER 56 -11.053 -6.534 -9.283 442 HG SER 56 HG SER 56 -12.346 -7.170 -7.612 443 H PHE 57 H PHE 57 -8.335 -9.824 -8.924 444 HA PHE 57 HA PHE 57 -6.265 -8.281 -10.283 445 HB2 PHE 57 HB2 PHE 57 -5.014 -10.462 -10.370 446 HB3 PHE 57 HB3 PHE 57 -5.395 -9.915 -8.748 447 HD1 PHE 57 HD1 PHE 57 -6.501 -12.350 -11.396 448 HD2 PHE 57 HD2 PHE 57 -6.503 -11.349 -7.241 449 HE1 PHE 57 HE1 PHE 57 -7.443 -14.551 -10.857 450 HE2 PHE 57 HE2 PHE 57 -7.453 -13.551 -6.715 451 HZ PHE 57 HZ PHE 57 -7.928 -15.156 -8.524 452 H ALA 58 H ALA 58 -5.716 -8.491 -12.386 453 HA ALA 58 HA ALA 58 -7.473 -10.011 -14.199 454 HB1 ALA 58 HB1 ALA 58 -6.447 -8.641 -15.988 455 HB2 ALA 58 HB2 ALA 58 -5.429 -7.833 -14.789 456 HB3 ALA 58 HB3 ALA 58 -7.182 -7.637 -14.738 457 H ASP 59 H ASP 59 -6.730 -12.068 -14.175 458 HA ASP 59 HA ASP 59 -5.551 -13.896 -14.802 459 HB2 ASP 59 HB2 ASP 59 -5.171 -12.482 -16.861 460 HB3 ASP 59 HB3 ASP 59 -3.663 -11.914 -16.161 461 H ASP 60 H ASP 60 -4.868 -12.295 -12.333 462 HA ASP 60 HA ASP 60 -3.570 -12.358 -10.497 463 HB2 ASP 60 HB2 ASP 60 -2.285 -14.751 -11.857 464 HB3 ASP 60 HB3 ASP 60 -1.808 -14.209 -10.250 465 H GLU 61 H GLU 61 -2.556 -11.173 -13.268 466 HA GLU 61 HA GLU 61 0.200 -10.571 -12.871 467 HB2 GLU 61 HB2 GLU 61 -1.988 -9.035 -14.346 468 HB3 GLU 61 HB3 GLU 61 -0.267 -8.670 -14.461 469 HG2 GLU 61 HG2 GLU 61 -1.596 -11.256 -15.340 470 HG3 GLU 61 HG3 GLU 61 -1.087 -9.947 -16.408 471 H ASP 62 H ASP 62 -2.820 -9.003 -12.013 472 HA ASP 62 HA ASP 62 -1.826 -6.540 -11.068 473 HB2 ASP 62 HB2 ASP 62 -4.115 -6.847 -11.895 474 HB3 ASP 62 HB3 ASP 62 -4.475 -7.940 -10.566 475 H ILE 63 H ILE 63 -1.958 -9.624 -9.499 476 HA ILE 63 HA ILE 63 -1.995 -8.994 -6.763 477 HB ILE 63 HB ILE 63 -0.276 -11.143 -8.117 478 HG12 ILE 63 HG12 ILE 63 -2.622 -11.404 -8.801 479 HG13 ILE 63 HG13 ILE 63 -2.179 -12.705 -7.702 480 HG21 ILE 63 HG21 ILE 63 -0.415 -12.369 -5.960 481 HG22 ILE 63 HG22 ILE 63 -1.278 -11.007 -5.241 482 HG23 ILE 63 HG23 ILE 63 0.392 -10.809 -5.776 483 HD11 ILE 63 HD11 ILE 63 -3.818 -10.266 -7.062 484 HD12 ILE 63 HD12 ILE 63 -3.309 -11.479 -5.879 485 HD13 ILE 63 HD13 ILE 63 -4.370 -11.933 -7.211 486 H MET 64 H MET 64 0.576 -8.897 -9.139 487 HA MET 64 HA MET 64 2.649 -8.032 -7.236 488 HB2 MET 64 HB2 MET 64 2.797 -8.964 -10.134 489 HB3 MET 64 HB3 MET 64 4.190 -8.581 -9.125 490 HG2 MET 64 HG2 MET 64 3.880 -10.481 -7.779 491 HG3 MET 64 HG3 MET 64 2.212 -10.707 -8.309 492 HE1 MET 64 HE1 MET 64 2.620 -12.145 -11.908 493 HE2 MET 64 HE2 MET 64 2.328 -10.467 -11.455 494 HE3 MET 64 HE3 MET 64 1.492 -11.770 -10.602 495 H ARG 65 H ARG 65 0.361 -6.521 -9.064 496 HA ARG 65 HA ARG 65 2.097 -4.246 -9.856 497 HB2 ARG 65 HB2 ARG 65 -0.707 -4.843 -10.904 498 HB3 ARG 65 HB3 ARG 65 0.406 -3.611 -11.496 499 HG2 ARG 65 HG2 ARG 65 0.613 -6.613 -11.806 500 HG3 ARG 65 HG3 ARG 65 0.415 -5.405 -13.075 501 HD2 ARG 65 HD2 ARG 65 2.675 -4.613 -12.755 502 HD3 ARG 65 HD3 ARG 65 2.875 -5.602 -11.300 503 HE ARG 65 HE ARG 65 2.474 -6.786 -13.978 504 HH11 ARG 65 HH11 ARG 65 4.281 -6.620 -10.977 505 HH12 ARG 65 HH12 ARG 65 5.247 -8.010 -11.343 506 HH21 ARG 65 HH21 ARG 65 3.740 -8.613 -14.449 507 HH22 ARG 65 HH22 ARG 65 4.944 -9.142 -13.317 508 H ALA 66 H ALA 66 -0.527 -5.260 -7.864 509 HA ALA 66 HA ALA 66 -0.806 -2.552 -6.724 510 HB1 ALA 66 HB1 ALA 66 -3.243 -2.898 -6.517 511 HB2 ALA 66 HB2 ALA 66 -3.115 -4.440 -7.370 512 HB3 ALA 66 HB3 ALA 66 -2.743 -2.931 -8.208 513 H GLU 67 H GLU 67 -0.994 -2.523 -4.516 514 HA GLU 67 HA GLU 67 -0.220 -4.687 -2.900 515 HB2 GLU 67 HB2 GLU 67 0.046 -2.414 -2.073 516 HB3 GLU 67 HB3 GLU 67 -1.681 -2.105 -2.204 517 HG2 GLU 67 HG2 GLU 67 -2.058 -3.850 -0.412 518 HG3 GLU 67 HG3 GLU 67 -0.307 -3.955 -0.219 519 H ARG 68 H ARG 68 -1.436 -6.425 -2.270 520 HA ARG 68 HA ARG 68 -4.276 -6.594 -2.630 521 HB2 ARG 68 HB2 ARG 68 -4.118 -8.795 -1.540 522 HB3 ARG 68 HB3 ARG 68 -2.877 -8.619 -2.773 523 HG2 ARG 68 HG2 ARG 68 -1.187 -8.192 -1.031 524 HG3 ARG 68 HG3 ARG 68 -2.428 -8.339 0.216 525 HD2 ARG 68 HD2 ARG 68 -2.827 -10.708 -0.580 526 HD3 ARG 68 HD3 ARG 68 -1.422 -10.521 -1.644 527 HE ARG 68 HE ARG 68 -1.213 -10.128 1.275 528 HH11 ARG 68 HH11 ARG 68 -0.084 -11.796 -1.616 529 HH12 ARG 68 HH12 ARG 68 1.200 -12.600 -0.776 530 HH21 ARG 68 HH21 ARG 68 0.465 -11.181 2.317 531 HH22 ARG 68 HH22 ARG 68 1.523 -12.225 1.433 532 H ARG 69 H ARG 69 -5.744 -5.692 -1.319 533 HA ARG 69 HA ARG 69 -5.168 -4.749 1.329 534 HB2 ARG 69 HB2 ARG 69 -6.821 -3.799 -0.465 535 HB3 ARG 69 HB3 ARG 69 -7.931 -5.042 0.101 536 HG2 ARG 69 HG2 ARG 69 -8.050 -4.064 2.290 537 HG3 ARG 69 HG3 ARG 69 -6.679 -3.001 1.960 538 HD2 ARG 69 HD2 ARG 69 -9.466 -2.828 0.769 539 HD3 ARG 69 HD3 ARG 69 -8.683 -1.670 1.841 540 HE ARG 69 HE ARG 69 -8.524 -1.750 -0.976 541 HH11 ARG 69 HH11 ARG 69 -6.279 -1.160 1.700 542 HH12 ARG 69 HH12 ARG 69 -5.322 -0.049 0.782 543 HH21 ARG 69 HH21 ARG 69 -7.218 -0.345 -2.134 544 HH22 ARG 69 HH22 ARG 69 -5.842 0.402 -1.381 545 H PHE 70 H PHE 70 -6.634 -5.485 3.190 546 HA PHE 70 HA PHE 70 -6.653 -8.439 3.246 547 HB2 PHE 70 HB2 PHE 70 -6.210 -6.329 5.380 548 HB3 PHE 70 HB3 PHE 70 -6.728 -7.951 5.840 549 HD1 PHE 70 HD1 PHE 70 -4.264 -6.629 3.320 550 HD2 PHE 70 HD2 PHE 70 -4.938 -9.181 6.684 551 HE1 PHE 70 HE1 PHE 70 -1.955 -7.429 3.176 552 HE2 PHE 70 HE2 PHE 70 -2.621 -9.972 6.533 553 HZ PHE 70 HZ PHE 70 -1.134 -9.096 4.777 554 H GLU 71 H GLU 71 -8.246 -9.453 4.629 555 HA GLU 71 HA GLU 71 -10.893 -8.145 4.716 556 HB2 GLU 71 HB2 GLU 71 -11.919 -10.326 4.136 557 HB3 GLU 71 HB3 GLU 71 -10.859 -9.770 2.845 558 HG2 GLU 71 HG2 GLU 71 -9.138 -11.351 3.467 559 HG3 GLU 71 HG3 GLU 71 -10.005 -11.808 4.932 560 H THR 72 H THR 72 -12.225 -8.936 6.440 561 HA THR 72 HA THR 72 -10.741 -9.749 8.809 562 HB THR 72 HB THR 72 -13.670 -8.941 8.490 563 HG1 THR 72 HG1 THR 72 -12.018 -7.171 9.742 564 HG21 THR 72 HG21 THR 72 -13.619 -8.531 10.922 565 HG22 THR 72 HG22 THR 72 -11.955 -9.114 10.999 566 HG23 THR 72 HG23 THR 72 -13.261 -10.228 10.583 567 H ARG 73 H ARG 73 -10.359 -11.943 8.817 568 HA ARG 73 HA ARG 73 -12.104 -13.933 7.703 569 HB2 ARG 73 HB2 ARG 73 -9.703 -14.269 9.575 570 HB3 ARG 73 HB3 ARG 73 -10.486 -15.567 8.675 571 HG2 ARG 73 HG2 ARG 73 -8.995 -13.215 7.448 572 HG3 ARG 73 HG3 ARG 73 -8.363 -14.856 7.635 573 HD2 ARG 73 HD2 ARG 73 -10.770 -14.063 5.951 574 HD3 ARG 73 HD3 ARG 73 -9.158 -14.431 5.331 575 HE ARG 73 HE ARG 73 -9.671 -16.700 6.584 576 HH11 ARG 73 HH11 ARG 73 -11.829 -14.872 4.490 577 HH12 ARG 73 HH12 ARG 73 -12.694 -16.282 3.969 578 HH21 ARG 73 HH21 ARG 73 -10.796 -18.522 5.871 579 HH22 ARG 73 HH22 ARG 73 -12.117 -18.346 4.762 580 H LEU 74 H LEU 74 -11.032 -13.245 11.054 581 HA LEU 74 HA LEU 74 -13.662 -14.171 12.096 582 HB2 LEU 74 HB2 LEU 74 -10.914 -14.367 13.395 583 HB3 LEU 74 HB3 LEU 74 -12.425 -14.787 14.191 584 HG LEU 74 HG LEU 74 -11.334 -16.206 11.720 585 HD11 LEU 74 HD11 LEU 74 -11.269 -17.121 14.612 586 HD12 LEU 74 HD12 LEU 74 -9.883 -16.602 13.648 587 HD13 LEU 74 HD13 LEU 74 -10.763 -18.061 13.204 588 HD21 LEU 74 HD21 LEU 74 -13.674 -16.910 13.530 589 HD22 LEU 74 HD22 LEU 74 -13.060 -17.902 12.204 590 HD23 LEU 74 HD23 LEU 74 -13.774 -16.330 11.864 591 H ALA 75 H ALA 75 -14.377 -13.053 14.056 592 HA ALA 75 HA ALA 75 -13.096 -10.564 14.810 593 HB1 ALA 75 HB1 ALA 75 -15.024 -9.128 14.280 594 HB2 ALA 75 HB2 ALA 75 -15.872 -10.500 13.555 595 HB3 ALA 75 HB3 ALA 75 -14.394 -9.882 12.814 596 H GLY 76 H GLY 76 -13.583 -9.967 16.877 597 HA2 GLY 76 HA2 GLY 76 -14.338 -10.099 19.036 598 HA3 GLY 76 HA3 GLY 76 -15.920 -10.413 18.352 599 H VAL 77 H VAL 77 -13.103 -12.413 17.954 600 HA VAL 77 HA VAL 77 -14.491 -14.742 19.114 601 HB VAL 77 HB VAL 77 -12.828 -16.097 17.818 602 HG11 VAL 77 HG11 VAL 77 -14.355 -14.106 16.101 603 HG12 VAL 77 HG12 VAL 77 -15.006 -15.594 16.793 604 HG13 VAL 77 HG13 VAL 77 -13.742 -15.675 15.564 605 HG21 VAL 77 HG21 VAL 77 -10.954 -14.501 17.744 606 HG22 VAL 77 HG22 VAL 77 -11.885 -13.427 16.696 607 HG23 VAL 77 HG23 VAL 77 -11.387 -15.018 16.111 608 H GLU 78 H GLU 78 -12.372 -16.405 19.647 609 HA GLU 78 HA GLU 78 -10.638 -14.983 21.587 610 HB2 GLU 78 HB2 GLU 78 -10.602 -17.068 22.903 611 HB3 GLU 78 HB3 GLU 78 -12.239 -16.451 22.724 612 HG2 GLU 78 HG2 GLU 78 -12.692 -18.123 20.977 613 HG3 GLU 78 HG3 GLU 78 -11.046 -18.741 21.130 614 H GLY 79 H GLY 79 -8.581 -16.257 22.036 615 HA2 GLY 79 HA2 GLY 79 -7.006 -16.482 19.710 616 HA3 GLY 79 HA3 GLY 79 -6.535 -16.992 21.329 617 H GLU 80 H GLU 80 -8.895 -18.873 21.412 618 HA GLU 80 HA GLU 80 -7.677 -21.227 20.387 619 HB2 GLU 80 HB2 GLU 80 -9.320 -21.085 22.339 620 HB3 GLU 80 HB3 GLU 80 -10.607 -20.880 21.162 621 HG2 GLU 80 HG2 GLU 80 -10.581 -23.173 21.873 622 HG3 GLU 80 HG3 GLU 80 -10.039 -23.106 20.197 623 H GLU 81 H GLU 81 -10.350 -19.161 19.268 624 HA GLU 81 HA GLU 81 -11.045 -20.633 16.936 625 HB2 GLU 81 HB2 GLU 81 -11.433 -17.696 17.634 626 HB3 GLU 81 HB3 GLU 81 -12.127 -18.460 16.204 627 HG2 GLU 81 HG2 GLU 81 -12.717 -19.184 19.089 628 HG3 GLU 81 HG3 GLU 81 -13.767 -18.265 18.011 629 H ILE 82 H ILE 82 -8.734 -18.048 17.566 630 HA ILE 82 HA ILE 82 -8.020 -17.444 14.903 631 HB ILE 82 HB ILE 82 -6.264 -17.233 17.395 632 HG12 ILE 82 HG12 ILE 82 -8.352 -15.955 17.721 633 HG13 ILE 82 HG13 ILE 82 -7.000 -14.851 17.515 634 HG21 ILE 82 HG21 ILE 82 -5.032 -15.503 16.124 635 HG22 ILE 82 HG22 ILE 82 -6.023 -15.835 14.705 636 HG23 ILE 82 HG23 ILE 82 -4.948 -17.080 15.341 637 HD11 ILE 82 HD11 ILE 82 -9.064 -15.552 15.433 638 HD12 ILE 82 HD12 ILE 82 -7.687 -14.473 15.192 639 HD13 ILE 82 HD13 ILE 82 -8.946 -14.051 16.351 640 H ALA 83 H ALA 83 -6.353 -19.473 17.316 641 HA ALA 83 HA ALA 83 -4.440 -20.634 15.600 642 HB1 ALA 83 HB1 ALA 83 -4.185 -20.581 18.039 643 HB2 ALA 83 HB2 ALA 83 -4.061 -22.237 17.437 644 HB3 ALA 83 HB3 ALA 83 -5.545 -21.689 18.223 645 H ALA 84 H ALA 84 -7.779 -21.444 16.255 646 HA ALA 84 HA ALA 84 -7.908 -24.073 15.274 647 HB1 ALA 84 HB1 ALA 84 -9.792 -23.021 16.463 648 HB2 ALA 84 HB2 ALA 84 -10.308 -23.676 14.908 649 HB3 ALA 84 HB3 ALA 84 -10.062 -21.937 15.100 650 H LEU 85 H LEU 85 -8.207 -20.933 13.564 651 HA LEU 85 HA LEU 85 -8.536 -22.189 10.984 652 HB2 LEU 85 HB2 LEU 85 -9.507 -19.948 11.406 653 HB3 LEU 85 HB3 LEU 85 -7.896 -19.291 11.625 654 HG LEU 85 HG LEU 85 -7.778 -20.577 9.100 655 HD11 LEU 85 HD11 LEU 85 -9.569 -19.672 7.777 656 HD12 LEU 85 HD12 LEU 85 -10.380 -19.101 9.241 657 HD13 LEU 85 HD13 LEU 85 -10.121 -20.833 8.983 658 HD21 LEU 85 HD21 LEU 85 -6.535 -18.621 9.525 659 HD22 LEU 85 HD22 LEU 85 -7.995 -17.637 9.733 660 HD23 LEU 85 HD23 LEU 85 -7.588 -18.299 8.146 661 H LEU 86 H LEU 86 -5.887 -20.535 12.695 662 HA LEU 86 HA LEU 86 -4.070 -20.278 10.601 663 HB2 LEU 86 HB2 LEU 86 -3.508 -20.667 13.563 664 HB3 LEU 86 HB3 LEU 86 -2.290 -20.195 12.386 665 HG LEU 86 HG LEU 86 -4.727 -18.559 13.205 666 HD11 LEU 86 HD11 LEU 86 -1.777 -18.093 13.696 667 HD12 LEU 86 HD12 LEU 86 -2.986 -18.572 14.893 668 HD13 LEU 86 HD13 LEU 86 -3.092 -16.992 14.125 669 HD21 LEU 86 HD21 LEU 86 -2.592 -17.855 11.156 670 HD22 LEU 86 HD22 LEU 86 -3.856 -16.773 11.747 671 HD23 LEU 86 HD23 LEU 86 -4.291 -18.202 10.817 672 H GLU 87 H GLU 87 -4.730 -23.065 12.664 673 HA GLU 87 HA GLU 87 -2.460 -24.626 11.843 674 HB2 GLU 87 HB2 GLU 87 -3.354 -26.392 13.163 675 HB3 GLU 87 HB3 GLU 87 -3.759 -24.914 14.015 676 HG2 GLU 87 HG2 GLU 87 -5.776 -25.972 14.213 677 HG3 GLU 87 HG3 GLU 87 -6.068 -25.200 12.672 678 H ARG 88 H ARG 88 -5.698 -24.084 10.592 679 HA ARG 88 HA ARG 88 -5.840 -26.401 8.906 680 HB2 ARG 88 HB2 ARG 88 -7.346 -23.754 8.631 681 HB3 ARG 88 HB3 ARG 88 -7.774 -25.272 7.844 682 HG2 ARG 88 HG2 ARG 88 -8.415 -26.263 9.945 683 HG3 ARG 88 HG3 ARG 88 -7.748 -24.900 10.845 684 HD2 ARG 88 HD2 ARG 88 -9.446 -23.422 9.648 685 HD3 ARG 88 HD3 ARG 88 -10.202 -24.908 9.064 686 HE ARG 88 HE ARG 88 -10.234 -25.412 11.646 687 HH11 ARG 88 HH11 ARG 88 -11.027 -22.371 10.069 688 HH12 ARG 88 HH12 ARG 88 -12.060 -21.838 11.353 689 HH21 ARG 88 HH21 ARG 88 -11.585 -24.692 13.314 690 HH22 ARG 88 HH22 ARG 88 -12.379 -23.152 13.189 691 H GLU 89 H GLU 89 -5.148 -22.949 8.425 692 HA GLU 89 HA GLU 89 -4.844 -23.057 5.596 693 HB2 GLU 89 HB2 GLU 89 -3.917 -20.866 7.509 694 HB3 GLU 89 HB3 GLU 89 -4.161 -20.705 5.768 695 HG2 GLU 89 HG2 GLU 89 -6.253 -21.118 7.913 696 HG3 GLU 89 HG3 GLU 89 -6.026 -19.704 6.888 697 H ARG 90 H ARG 90 -2.532 -23.022 8.295 698 HA ARG 90 HA ARG 90 -0.166 -22.919 6.707 699 HB2 ARG 90 HB2 ARG 90 1.091 -23.498 8.661 700 HB3 ARG 90 HB3 ARG 90 -0.234 -22.465 9.188 701 HG2 ARG 90 HG2 ARG 90 -1.457 -24.376 10.059 702 HG3 ARG 90 HG3 ARG 90 -0.269 -25.493 9.392 703 HD2 ARG 90 HD2 ARG 90 1.458 -24.435 10.925 704 HD3 ARG 90 HD3 ARG 90 0.135 -23.534 11.678 705 HE ARG 90 HE ARG 90 -0.461 -25.422 12.807 706 HH11 ARG 90 HH11 ARG 90 1.585 -26.442 10.118 707 HH12 ARG 90 HH12 ARG 90 1.539 -28.118 10.565 708 HH21 ARG 90 HH21 ARG 90 -0.500 -27.618 13.379 709 HH22 ARG 90 HH22 ARG 90 0.360 -28.782 12.422 710 H ARG 91 H ARG 91 -2.258 -25.559 7.573 711 HA ARG 91 HA ARG 91 -0.586 -27.764 7.052 712 HB2 ARG 91 HB2 ARG 91 -2.728 -27.868 8.285 713 HB3 ARG 91 HB3 ARG 91 -3.613 -27.475 6.825 714 HG2 ARG 91 HG2 ARG 91 -1.932 -29.979 6.945 715 HG3 ARG 91 HG3 ARG 91 -3.523 -29.943 7.700 716 HD2 ARG 91 HD2 ARG 91 -4.517 -29.318 5.497 717 HD3 ARG 91 HD3 ARG 91 -2.913 -29.458 4.763 718 HE ARG 91 HE ARG 91 -3.833 -31.814 6.191 719 HH11 ARG 91 HH11 ARG 91 -3.624 -30.235 3.059 720 HH12 ARG 91 HH12 ARG 91 -3.938 -31.689 2.174 721 HH21 ARG 91 HH21 ARG 91 -4.244 -33.708 5.003 722 HH22 ARG 91 HH22 ARG 91 -4.286 -33.648 3.272 723 H PHE 92 H PHE 92 -2.871 -25.992 4.960 724 HA PHE 92 HA PHE 92 -2.269 -27.478 2.570 725 HB2 PHE 92 HB2 PHE 92 -3.772 -24.859 3.010 726 HB3 PHE 92 HB3 PHE 92 -3.668 -25.686 1.465 727 HD1 PHE 92 HD1 PHE 92 -4.776 -27.911 1.155 728 HD2 PHE 92 HD2 PHE 92 -5.286 -25.631 4.728 729 HE1 PHE 92 HE1 PHE 92 -6.735 -29.266 1.749 730 HE2 PHE 92 HE2 PHE 92 -7.246 -26.984 5.316 731 HZ PHE 92 HZ PHE 92 -7.972 -28.804 3.826 732 H ASP 93 H ASP 93 -1.550 -24.177 3.702 733 HA ASP 93 HA ASP 93 0.776 -23.972 1.894 734 HB2 ASP 93 HB2 ASP 93 -1.371 -21.829 2.283 735 HB3 ASP 93 HB3 ASP 93 0.129 -21.597 1.395 736 H SER 94 H SER 94 2.259 -24.138 3.519 737 HA SER 94 HA SER 94 2.012 -22.836 6.076 738 HB2 SER 94 HB2 SER 94 3.151 -25.040 5.768 739 HB3 SER 94 HB3 SER 94 4.422 -24.238 4.844 740 HG SER 94 HG SER 94 5.326 -23.842 6.683 741 H ASP 95 H ASP 95 2.854 -21.632 3.066 742 HA ASP 95 HA ASP 95 5.055 -19.922 3.726 743 HB2 ASP 95 HB2 ASP 95 4.599 -18.832 1.540 744 HB3 ASP 95 HB3 ASP 95 4.692 -20.585 1.408 745 H LEU 96 H LEU 96 1.852 -19.709 4.790 746 HA LEU 96 HA LEU 96 1.549 -16.859 4.677 747 HB2 LEU 96 HB2 LEU 96 -0.375 -17.018 6.011 748 HB3 LEU 96 HB3 LEU 96 -0.399 -18.489 5.057 749 HG LEU 96 HG LEU 96 0.648 -18.440 7.914 750 HD11 LEU 96 HD11 LEU 96 -1.664 -17.643 7.979 751 HD12 LEU 96 HD12 LEU 96 -1.516 -19.247 8.695 752 HD13 LEU 96 HD13 LEU 96 -2.196 -19.064 7.073 753 HD21 LEU 96 HD21 LEU 96 0.234 -20.819 7.868 754 HD22 LEU 96 HD22 LEU 96 1.311 -20.355 6.554 755 HD23 LEU 96 HD23 LEU 96 -0.388 -20.712 6.218 756 H TRP 97 H TRP 97 1.702 -15.405 6.386 757 HA TRP 97 HA TRP 97 3.604 -16.048 8.554 758 HB2 TRP 97 HB2 TRP 97 2.795 -13.350 7.358 759 HB3 TRP 97 HB3 TRP 97 3.953 -13.575 8.666 760 HD1 TRP 97 HD1 TRP 97 3.733 -15.248 5.125 761 HE1 TRP 97 HE1 TRP 97 6.019 -15.016 4.019 762 HE3 TRP 97 HE3 TRP 97 6.119 -12.542 8.723 763 HZ2 TRP 97 HZ2 TRP 97 8.509 -13.845 4.551 764 HZ3 TRP 97 HZ3 TRP 97 8.457 -11.897 8.354 765 HH2 TRP 97 HH2 TRP 97 9.628 -12.531 6.306 766 H VAL 98 H VAL 98 3.012 -15.396 10.677 767 HA VAL 98 HA VAL 98 0.225 -14.462 11.061 768 HB VAL 98 HB VAL 98 1.722 -16.426 12.860 769 HG11 VAL 98 HG11 VAL 98 -1.059 -15.219 13.192 770 HG12 VAL 98 HG12 VAL 98 0.346 -14.884 14.208 771 HG13 VAL 98 HG13 VAL 98 -0.375 -16.494 14.206 772 HG21 VAL 98 HG21 VAL 98 -0.067 -18.040 12.244 773 HG22 VAL 98 HG22 VAL 98 0.858 -17.528 10.829 774 HG23 VAL 98 HG23 VAL 98 -0.749 -16.855 11.124 775 H VAL 99 H VAL 99 0.173 -12.530 11.956 776 HA VAL 99 HA VAL 99 2.351 -11.666 13.803 777 HB VAL 99 HB VAL 99 0.644 -9.776 12.112 778 HG11 VAL 99 HG11 VAL 99 1.528 -8.755 14.166 779 HG12 VAL 99 HG12 VAL 99 2.297 -8.051 12.742 780 HG13 VAL 99 HG13 VAL 99 3.167 -9.239 13.718 781 HG21 VAL 99 HG21 VAL 99 2.599 -9.439 10.639 782 HG22 VAL 99 HG22 VAL 99 2.051 -11.117 10.593 783 HG23 VAL 99 HG23 VAL 99 3.484 -10.683 11.526 784 H GLU 100 H GLU 100 1.582 -11.537 15.859 785 HA GLU 100 HA GLU 100 -1.244 -11.044 16.388 786 HB2 GLU 100 HB2 GLU 100 -0.649 -11.203 18.773 787 HB3 GLU 100 HB3 GLU 100 -0.055 -12.600 17.884 788 HG2 GLU 100 HG2 GLU 100 2.216 -11.781 17.965 789 HG3 GLU 100 HG3 GLU 100 1.693 -10.234 18.623 790 H ILE 101 H ILE 101 -2.066 -9.064 16.659 791 HA ILE 101 HA ILE 101 -0.339 -6.829 17.509 792 HB ILE 101 HB ILE 101 -1.734 -5.243 16.190 793 HG12 ILE 101 HG12 ILE 101 -2.955 -7.677 14.807 794 HG13 ILE 101 HG13 ILE 101 -3.793 -6.716 16.008 795 HG21 ILE 101 HG21 ILE 101 -0.421 -7.383 14.466 796 HG22 ILE 101 HG22 ILE 101 0.388 -6.016 15.231 797 HG23 ILE 101 HG23 ILE 101 -0.790 -5.732 13.953 798 HD11 ILE 101 HD11 ILE 101 -2.837 -5.750 13.325 799 HD12 ILE 101 HD12 ILE 101 -3.653 -4.760 14.542 800 HD13 ILE 101 HD13 ILE 101 -4.499 -6.114 13.793 801 H GLU 102 H GLU 102 -1.142 -5.661 19.198 802 HA GLU 102 HA GLU 102 -3.807 -6.364 20.270 803 HB2 GLU 102 HB2 GLU 102 -1.768 -7.177 21.589 804 HB3 GLU 102 HB3 GLU 102 -1.379 -5.495 21.910 805 HG2 GLU 102 HG2 GLU 102 -4.020 -6.765 22.704 806 HG3 GLU 102 HG3 GLU 102 -2.601 -6.797 23.744 807 H THR 103 H THR 103 -5.131 -4.720 19.897 808 HA THR 103 HA THR 103 -4.553 -1.994 20.585 809 HB THR 103 HB THR 103 -3.309 -1.958 18.498 810 HG1 THR 103 HG1 THR 103 -4.535 -0.107 18.788 811 HG21 THR 103 HG21 THR 103 -4.254 -2.611 16.338 812 HG22 THR 103 HG22 THR 103 -5.776 -3.053 17.110 813 HG23 THR 103 HG23 THR 103 -4.310 -3.979 17.452 814 H ASP 104 H ASP 104 -6.401 -0.590 20.306 815 HA ASP 104 HA ASP 104 -8.964 -1.790 20.710 816 HB2 ASP 104 HB2 ASP 104 -8.230 1.126 20.135 817 HB3 ASP 104 HB3 ASP 104 -9.823 0.580 20.652 818 H GLU 105 H GLU 105 -7.549 0.081 18.059 819 HA GLU 105 HA GLU 105 -9.911 -0.411 16.332 820 HB2 GLU 105 HB2 GLU 105 -9.146 1.596 15.093 821 HB3 GLU 105 HB3 GLU 105 -9.461 1.946 16.782 822 HG2 GLU 105 HG2 GLU 105 -6.998 1.822 17.224 823 HG3 GLU 105 HG3 GLU 105 -6.730 1.606 15.493 824 H ILE 106 H ILE 106 -9.179 -0.364 13.877 825 HA ILE 106 HA ILE 106 -6.807 -2.083 13.554 826 HB ILE 106 HB ILE 106 -8.738 -3.592 13.748 827 HG12 ILE 106 HG12 ILE 106 -8.454 -4.840 11.583 828 HG13 ILE 106 HG13 ILE 106 -7.603 -3.452 10.914 829 HG21 ILE 106 HG21 ILE 106 -10.555 -2.120 13.016 830 HG22 ILE 106 HG22 ILE 106 -10.580 -3.631 12.104 831 HG23 ILE 106 HG23 ILE 106 -9.949 -2.161 11.358 832 HD11 ILE 106 HD11 ILE 106 -6.711 -5.064 13.307 833 HD12 ILE 106 HD12 ILE 106 -5.834 -3.728 12.551 834 HD13 ILE 106 HD13 ILE 106 -6.102 -5.224 11.661 835 H GLY 107 H GLY 107 -9.118 0.147 12.026 836 HA2 GLY 107 HA2 GLY 107 -8.460 -0.285 9.323 837 HA3 GLY 107 HA3 GLY 107 -9.227 1.154 9.974 838 H THR 108 H THR 108 -7.136 2.033 11.644 839 HA THR 108 HA THR 108 -5.617 3.560 9.786 840 HB THR 108 HB THR 108 -6.397 4.409 12.004 841 HG1 THR 108 HG1 THR 108 -4.546 5.633 12.361 842 HG21 THR 108 HG21 THR 108 -5.873 2.451 13.427 843 HG22 THR 108 HG22 THR 108 -5.117 3.918 14.052 844 HG23 THR 108 HG23 THR 108 -4.148 2.730 13.177 845 H LEU 109 H LEU 109 -4.973 0.611 11.560 846 HA LEU 109 HA LEU 109 -2.078 0.737 10.946 847 HB2 LEU 109 HB2 LEU 109 -1.871 -0.817 12.977 848 HB3 LEU 109 HB3 LEU 109 -2.229 0.869 13.267 849 HG LEU 109 HG LEU 109 -4.766 -0.016 13.333 850 HD11 LEU 109 HD11 LEU 109 -5.017 -2.214 14.302 851 HD12 LEU 109 HD12 LEU 109 -3.278 -2.495 14.232 852 HD13 LEU 109 HD13 LEU 109 -4.213 -2.347 12.737 853 HD21 LEU 109 HD21 LEU 109 -3.657 1.155 15.170 854 HD22 LEU 109 HD22 LEU 109 -2.856 -0.338 15.667 855 HD23 LEU 109 HD23 LEU 109 -4.614 -0.199 15.774 856 H LEU 110 H LEU 110 -4.793 -0.698 9.889 857 HA LEU 110 HA LEU 110 -3.433 -2.437 8.139 858 HB2 LEU 110 HB2 LEU 110 -3.359 -3.979 10.089 859 HB3 LEU 110 HB3 LEU 110 -5.095 -3.822 10.291 860 HG LEU 110 HG LEU 110 -5.448 -4.930 8.095 861 HD11 LEU 110 HD11 LEU 110 -2.454 -5.312 8.039 862 HD12 LEU 110 HD12 LEU 110 -3.412 -4.318 6.940 863 HD13 LEU 110 HD13 LEU 110 -3.610 -6.067 6.939 864 HD21 LEU 110 HD21 LEU 110 -3.756 -6.577 10.002 865 HD22 LEU 110 HD22 LEU 110 -4.879 -7.209 8.792 866 HD23 LEU 110 HD23 LEU 110 -5.492 -6.272 10.155 867 H THR 111 H THR 111 -4.602 -2.110 6.360 868 HA THR 111 HA THR 111 -7.285 -1.035 6.491 869 HB THR 111 HB THR 111 -5.602 -1.626 4.025 870 HG1 THR 111 HG1 THR 111 -5.809 0.858 5.396 871 HG21 THR 111 HG21 THR 111 -7.010 0.115 2.978 872 HG22 THR 111 HG22 THR 111 -7.924 0.289 4.481 873 HG23 THR 111 HG23 THR 111 -8.001 -1.224 3.570 874 H LEU 112 H LEU 112 -9.149 -2.016 5.783 875 HA LEU 112 HA LEU 112 -9.052 -4.835 4.881 876 HB2 LEU 112 HB2 LEU 112 -11.046 -3.659 6.867 877 HB3 LEU 112 HB3 LEU 112 -10.976 -5.330 6.328 878 HG LEU 112 HG LEU 112 -8.699 -4.015 7.855 879 HD11 LEU 112 HD11 LEU 112 -9.492 -5.114 9.864 880 HD12 LEU 112 HD12 LEU 112 -10.944 -5.646 9.012 881 HD13 LEU 112 HD13 LEU 112 -10.645 -3.922 9.265 882 HD21 LEU 112 HD21 LEU 112 -8.054 -5.983 6.554 883 HD22 LEU 112 HD22 LEU 112 -9.314 -6.934 7.345 884 HD23 LEU 112 HD23 LEU 112 -7.958 -6.303 8.286 885 H VAL 113 H VAL 113 -10.712 -5.485 3.516 886 HA VAL 113 HA VAL 113 -12.284 -3.495 2.085 887 HB VAL 113 HB VAL 113 -12.936 -5.357 0.590 888 HG11 VAL 113 HG11 VAL 113 -10.719 -5.944 -0.337 889 HG12 VAL 113 HG12 VAL 113 -9.947 -5.387 1.150 890 HG13 VAL 113 HG13 VAL 113 -10.800 -4.239 0.116 891 HG21 VAL 113 HG21 VAL 113 -11.361 -7.186 2.461 892 HG22 VAL 113 HG22 VAL 113 -12.041 -7.666 0.904 893 HG23 VAL 113 HG23 VAL 113 -13.111 -7.200 2.226 894 H ASP 114 H ASP 114 -12.576 -5.743 4.667 895 HA ASP 114 HA ASP 114 -15.414 -6.271 4.433 896 HB2 ASP 114 HB2 ASP 114 -13.720 -7.972 5.249 897 HB3 ASP 114 HB3 ASP 114 -13.487 -6.988 6.689 898 H GLN 115 H GLN 115 -13.372 -4.965 7.073 899 HA GLN 115 HA GLN 115 -15.551 -3.496 8.254 900 HB2 GLN 115 HB2 GLN 115 -12.570 -3.494 8.877 901 HB3 GLN 115 HB3 GLN 115 -13.791 -2.667 9.843 902 HG2 GLN 115 HG2 GLN 115 -13.631 -5.666 9.386 903 HG3 GLN 115 HG3 GLN 115 -13.114 -4.811 10.842 904 HE21 GLN 115 HE21 GLN 115 -15.848 -5.922 8.982 905 HE22 GLN 115 HE22 GLN 115 -17.043 -5.662 10.205 906 HA PRO 116 HA PRO 116 -14.808 0.077 5.560 907 HB2 PRO 116 HB2 PRO 116 -16.722 1.745 6.589 908 HB3 PRO 116 HB3 PRO 116 -17.116 0.377 5.537 909 HG2 PRO 116 HG2 PRO 116 -17.257 0.560 8.541 910 HG3 PRO 116 HG3 PRO 116 -18.425 -0.156 7.412 911 HD2 PRO 116 HD2 PRO 116 -16.619 -1.650 8.836 912 HD3 PRO 116 HD3 PRO 116 -17.221 -2.148 7.239 913 H GLN 117 H GLN 117 -13.729 2.025 5.731 914 HA GLN 117 HA GLN 117 -12.190 2.523 8.135 915 HB2 GLN 117 HB2 GLN 117 -12.268 4.107 5.526 916 HB3 GLN 117 HB3 GLN 117 -11.007 4.178 6.762 917 HG2 GLN 117 HG2 GLN 117 -10.353 1.872 6.275 918 HG3 GLN 117 HG3 GLN 117 -11.673 1.709 5.114 919 HE21 GLN 117 HE21 GLN 117 -10.310 1.239 3.386 920 HE22 GLN 117 HE22 GLN 117 -9.233 2.398 2.687 921 H ALA 118 H ALA 118 -14.923 3.904 6.451 922 HA ALA 118 HA ALA 118 -15.377 5.839 8.653 923 HB1 ALA 118 HB1 ALA 118 -16.676 7.179 7.020 924 HB2 ALA 118 HB2 ALA 118 -16.278 6.021 5.746 925 HB3 ALA 118 HB3 ALA 118 -15.003 6.979 6.504 Start of MODEL 12 1 H MET 1 H MET 1 1.526 1.609 -0.483 2 HA MET 1 HA MET 1 3.272 1.783 -2.052 3 HB2 MET 1 HB2 MET 1 3.876 1.466 0.311 4 HB3 MET 1 HB3 MET 1 3.845 -0.281 0.106 5 HG2 MET 1 HG2 MET 1 6.143 0.654 0.163 6 HG3 MET 1 HG3 MET 1 5.791 -0.192 -1.347 7 HE1 MET 1 HE1 MET 1 8.309 1.713 -1.229 8 HE2 MET 1 HE2 MET 1 8.106 2.655 -2.708 9 HE3 MET 1 HE3 MET 1 7.771 0.922 -2.707 10 H ARG 2 H ARG 2 1.780 -1.310 -2.065 11 HA ARG 2 HA ARG 2 1.929 -3.151 -3.296 12 HB2 ARG 2 HB2 ARG 2 3.375 -1.402 -5.310 13 HB3 ARG 2 HB3 ARG 2 2.707 -2.999 -5.651 14 HG2 ARG 2 HG2 ARG 2 0.443 -2.204 -5.323 15 HG3 ARG 2 HG3 ARG 2 1.017 -0.639 -4.731 16 HD2 ARG 2 HD2 ARG 2 1.460 -1.699 -7.547 17 HD3 ARG 2 HD3 ARG 2 0.194 -0.570 -7.074 18 HE ARG 2 HE ARG 2 1.923 1.047 -6.510 19 HH11 ARG 2 HH11 ARG 2 3.050 -1.632 -8.469 20 HH12 ARG 2 HH12 ARG 2 4.292 -0.696 -9.230 21 HH21 ARG 2 HH21 ARG 2 3.535 2.247 -7.525 22 HH22 ARG 2 HH22 ARG 2 4.580 1.491 -8.684 23 H LEU 3 H LEU 3 3.196 -4.024 -1.654 24 HA LEU 3 HA LEU 3 6.091 -4.303 -2.170 25 HB2 LEU 3 HB2 LEU 3 6.166 -4.334 0.474 26 HB3 LEU 3 HB3 LEU 3 6.179 -2.825 -0.410 27 HG LEU 3 HG LEU 3 3.780 -2.478 0.093 28 HD11 LEU 3 HD11 LEU 3 3.911 -5.024 1.718 29 HD12 LEU 3 HD12 LEU 3 2.983 -4.767 0.237 30 HD13 LEU 3 HD13 LEU 3 2.570 -3.874 1.698 31 HD21 LEU 3 HD21 LEU 3 5.422 -3.010 2.589 32 HD22 LEU 3 HD22 LEU 3 3.990 -1.980 2.486 33 HD23 LEU 3 HD23 LEU 3 5.455 -1.537 1.614 34 H LYS 4 H LYS 4 7.024 -6.157 -0.786 35 HA LYS 4 HA LYS 4 5.539 -8.551 -1.442 36 HB2 LYS 4 HB2 LYS 4 7.497 -9.794 -0.896 37 HB3 LYS 4 HB3 LYS 4 8.068 -8.339 -1.698 38 HG2 LYS 4 HG2 LYS 4 8.708 -7.389 0.492 39 HG3 LYS 4 HG3 LYS 4 8.080 -8.827 1.298 40 HD2 LYS 4 HD2 LYS 4 10.514 -8.951 1.148 41 HD3 LYS 4 HD3 LYS 4 9.773 -10.223 0.177 42 HE2 LYS 4 HE2 LYS 4 10.168 -8.864 -1.869 43 HE3 LYS 4 HE3 LYS 4 10.936 -7.619 -0.882 44 HZ1 LYS 4 HZ1 LYS 4 12.580 -9.016 -1.890 45 HZ2 LYS 4 HZ2 LYS 4 11.871 -10.408 -1.244 46 HZ3 LYS 4 HZ3 LYS 4 12.594 -9.272 -0.221 47 H SER 5 H SER 5 5.629 -10.369 0.309 48 HA SER 5 HA SER 5 3.659 -9.825 2.216 49 HB2 SER 5 HB2 SER 5 5.612 -12.160 2.189 50 HB3 SER 5 HB3 SER 5 3.976 -12.150 2.860 51 HG SER 5 HG SER 5 3.152 -12.236 0.878 52 H GLU 6 H GLU 6 7.135 -10.408 2.668 53 HA GLU 6 HA GLU 6 7.299 -10.044 5.450 54 HB2 GLU 6 HB2 GLU 6 9.074 -11.121 4.133 55 HB3 GLU 6 HB3 GLU 6 9.391 -9.613 3.278 56 HG2 GLU 6 HG2 GLU 6 10.064 -8.581 5.471 57 HG3 GLU 6 HG3 GLU 6 9.858 -10.162 6.226 58 H MET 7 H MET 7 7.554 -7.770 2.754 59 HA MET 7 HA MET 7 8.532 -5.549 4.263 60 HB2 MET 7 HB2 MET 7 8.794 -5.887 1.757 61 HB3 MET 7 HB3 MET 7 7.100 -5.465 1.572 62 HG2 MET 7 HG2 MET 7 8.406 -3.546 1.020 63 HG3 MET 7 HG3 MET 7 7.636 -3.212 2.568 64 HE1 MET 7 HE1 MET 7 9.182 -3.852 4.967 65 HE2 MET 7 HE2 MET 7 8.925 -2.178 4.474 66 HE3 MET 7 HE3 MET 7 10.530 -2.712 4.974 67 H PHE 8 H PHE 8 5.366 -6.900 3.691 68 HA PHE 8 HA PHE 8 3.864 -4.556 4.436 69 HB2 PHE 8 HB2 PHE 8 2.836 -6.286 2.959 70 HB3 PHE 8 HB3 PHE 8 2.927 -7.468 4.270 71 HD1 PHE 8 HD1 PHE 8 1.235 -4.392 3.083 72 HD2 PHE 8 HD2 PHE 8 1.331 -7.364 6.167 73 HE1 PHE 8 HE1 PHE 8 -0.910 -3.571 3.950 74 HE2 PHE 8 HE2 PHE 8 -0.824 -6.534 7.023 75 HZ PHE 8 HZ PHE 8 -1.943 -4.637 5.913 76 H VAL 9 H VAL 9 4.820 -7.647 6.029 77 HA VAL 9 HA VAL 9 3.392 -7.189 8.426 78 HB VAL 9 HB VAL 9 4.650 -8.991 9.467 79 HG11 VAL 9 HG11 VAL 9 4.189 -10.816 7.868 80 HG12 VAL 9 HG12 VAL 9 4.022 -9.628 6.572 81 HG13 VAL 9 HG13 VAL 9 2.882 -9.631 7.920 82 HG21 VAL 9 HG21 VAL 9 6.939 -8.459 8.710 83 HG22 VAL 9 HG22 VAL 9 6.525 -8.976 7.078 84 HG23 VAL 9 HG23 VAL 9 6.541 -10.150 8.394 85 H SER 10 H SER 10 6.728 -6.436 7.524 86 HA SER 10 HA SER 10 7.706 -5.472 9.968 87 HB2 SER 10 HB2 SER 10 8.424 -4.543 7.151 88 HB3 SER 10 HB3 SER 10 9.416 -4.320 8.593 89 HG SER 10 HG SER 10 9.412 -6.367 6.943 90 H ALA 11 H ALA 11 6.075 -3.784 7.285 91 HA ALA 11 HA ALA 11 6.064 -1.170 8.435 92 HB1 ALA 11 HB1 ALA 11 5.879 -1.567 6.002 93 HB2 ALA 11 HB2 ALA 11 4.523 -0.602 6.591 94 HB3 ALA 11 HB3 ALA 11 4.301 -2.320 6.237 95 H LEU 12 H LEU 12 3.879 -3.879 8.595 96 HA LEU 12 HA LEU 12 1.503 -2.645 9.486 97 HB2 LEU 12 HB2 LEU 12 1.492 -4.852 8.495 98 HB3 LEU 12 HB3 LEU 12 2.586 -5.461 9.723 99 HG LEU 12 HG LEU 12 0.778 -5.224 11.435 100 HD11 LEU 12 HD11 LEU 12 -0.519 -3.419 10.435 101 HD12 LEU 12 HD12 LEU 12 -1.530 -4.826 10.760 102 HD13 LEU 12 HD13 LEU 12 -1.009 -4.481 9.108 103 HD21 LEU 12 HD21 LEU 12 -0.540 -7.139 10.709 104 HD22 LEU 12 HD22 LEU 12 1.156 -7.369 10.288 105 HD23 LEU 12 HD23 LEU 12 -0.009 -6.907 9.041 106 H ILE 13 H ILE 13 4.191 -4.134 11.165 107 HA ILE 13 HA ILE 13 3.284 -3.866 13.830 108 HB ILE 13 HB ILE 13 6.075 -4.122 12.626 109 HG12 ILE 13 HG12 ILE 13 4.399 -6.270 14.014 110 HG13 ILE 13 HG13 ILE 13 4.333 -5.998 12.280 111 HG21 ILE 13 HG21 ILE 13 6.883 -4.826 14.859 112 HG22 ILE 13 HG22 ILE 13 5.313 -4.422 15.555 113 HG23 ILE 13 HG23 ILE 13 6.325 -3.151 14.864 114 HD11 ILE 13 HD11 ILE 13 6.759 -6.826 13.841 115 HD12 ILE 13 HD12 ILE 13 6.663 -6.581 12.090 116 HD13 ILE 13 HD13 ILE 13 5.713 -7.853 12.860 117 H ARG 14 H ARG 14 5.056 -1.708 11.659 118 HA ARG 14 HA ARG 14 5.577 0.292 13.683 119 HB2 ARG 14 HB2 ARG 14 6.017 0.169 10.697 120 HB3 ARG 14 HB3 ARG 14 6.082 1.732 11.500 121 HG2 ARG 14 HG2 ARG 14 8.328 0.734 11.259 122 HG3 ARG 14 HG3 ARG 14 7.895 0.976 12.953 123 HD2 ARG 14 HD2 ARG 14 7.204 -1.468 13.016 124 HD3 ARG 14 HD3 ARG 14 7.905 -1.625 11.403 125 HE ARG 14 HE ARG 14 9.780 -0.525 13.242 126 HH11 ARG 14 HH11 ARG 14 8.354 -3.559 12.195 127 HH12 ARG 14 HH12 ARG 14 9.613 -4.533 12.881 128 HH21 ARG 14 HH21 ARG 14 11.426 -1.799 14.136 129 HH22 ARG 14 HH22 ARG 14 11.376 -3.525 13.976 130 H ARG 15 H ARG 15 2.938 -0.372 11.477 131 HA ARG 15 HA ARG 15 1.572 2.109 11.688 132 HB2 ARG 15 HB2 ARG 15 0.481 -0.702 11.245 133 HB3 ARG 15 HB3 ARG 15 -0.500 0.756 11.148 134 HG2 ARG 15 HG2 ARG 15 0.941 1.533 9.248 135 HG3 ARG 15 HG3 ARG 15 1.790 -0.014 9.309 136 HD2 ARG 15 HD2 ARG 15 -0.307 -1.214 8.825 137 HD3 ARG 15 HD3 ARG 15 -1.202 0.311 8.833 138 HE ARG 15 HE ARG 15 0.971 0.164 6.917 139 HH11 ARG 15 HH11 ARG 15 -2.489 -0.287 7.407 140 HH12 ARG 15 HH12 ARG 15 -2.853 -0.264 5.715 141 HH21 ARG 15 HH21 ARG 15 0.488 0.192 4.709 142 HH22 ARG 15 HH22 ARG 15 -1.148 -0.002 4.174 143 H VAL 16 H VAL 16 1.418 -0.920 13.606 144 HA VAL 16 HA VAL 16 -0.722 -0.029 15.258 145 HB VAL 16 HB VAL 16 -0.479 -1.999 16.602 146 HG11 VAL 16 HG11 VAL 16 -1.416 -2.392 14.371 147 HG12 VAL 16 HG12 VAL 16 -0.545 -3.814 14.939 148 HG13 VAL 16 HG13 VAL 16 0.188 -2.750 13.732 149 HG21 VAL 16 HG21 VAL 16 2.227 -2.511 15.334 150 HG22 VAL 16 HG22 VAL 16 1.405 -3.536 16.513 151 HG23 VAL 16 HG23 VAL 16 1.960 -1.933 16.979 152 H PHE 17 H PHE 17 2.824 -0.043 15.725 153 HA PHE 17 HA PHE 17 2.737 0.918 18.426 154 HB2 PHE 17 HB2 PHE 17 4.966 0.532 16.409 155 HB3 PHE 17 HB3 PHE 17 5.279 1.427 17.890 156 HD1 PHE 17 HD2 PHE 17 4.869 0.277 20.130 157 HD2 PHE 17 HD1 PHE 17 4.973 -1.886 16.448 158 HE1 PHE 17 HE2 PHE 17 5.261 -1.813 21.360 159 HE2 PHE 17 HE1 PHE 17 5.355 -3.973 17.688 160 HZ PHE 17 HZ PHE 17 5.503 -3.937 20.144 161 H ALA 18 H ALA 18 2.863 2.471 15.262 162 HA ALA 18 HA ALA 18 3.353 5.140 16.080 163 HB1 ALA 18 HB1 ALA 18 1.632 4.175 13.768 164 HB2 ALA 18 HB2 ALA 18 3.373 4.450 13.709 165 HB3 ALA 18 HB3 ALA 18 2.278 5.810 13.965 166 H ALA 19 H ALA 19 0.379 3.217 15.859 167 HA ALA 19 HA ALA 19 -1.419 5.265 16.766 168 HB1 ALA 19 HB1 ALA 19 -3.073 3.439 16.916 169 HB2 ALA 19 HB2 ALA 19 -1.790 2.246 16.678 170 HB3 ALA 19 HB3 ALA 19 -2.191 3.380 15.389 171 H GLY 20 H GLY 20 0.454 2.705 18.339 172 HA2 GLY 20 HA2 GLY 20 1.115 3.349 20.704 173 HA3 GLY 20 HA3 GLY 20 -0.612 3.426 21.020 174 H GLY 21 H GLY 21 -0.766 1.016 19.029 175 HA2 GLY 21 HA2 GLY 21 -0.970 -1.004 21.067 176 HA3 GLY 21 HA3 GLY 21 -1.319 -1.185 19.358 177 H PHE 22 H PHE 22 -0.291 -3.302 20.214 178 HA PHE 22 HA PHE 22 2.655 -3.362 19.964 179 HB2 PHE 22 HB2 PHE 22 1.953 -4.125 22.165 180 HB3 PHE 22 HB3 PHE 22 0.698 -5.148 21.485 181 HD1 PHE 22 HD1 PHE 22 4.398 -4.762 21.801 182 HD2 PHE 22 HD2 PHE 22 1.177 -7.423 20.871 183 HE1 PHE 22 HE1 PHE 22 5.958 -6.659 21.783 184 HE2 PHE 22 HE2 PHE 22 2.747 -9.315 20.863 185 HZ PHE 22 HZ PHE 22 5.139 -8.933 21.320 186 H ALA 23 H ALA 23 3.559 -5.094 18.734 187 HA ALA 23 HA ALA 23 1.926 -7.082 17.430 188 HB1 ALA 23 HB1 ALA 23 3.429 -5.081 15.714 189 HB2 ALA 23 HB2 ALA 23 1.677 -5.265 15.812 190 HB3 ALA 23 HB3 ALA 23 2.656 -6.559 15.128 191 H ALA 24 H ALA 24 3.241 -8.708 16.298 192 HA ALA 24 HA ALA 24 6.103 -8.692 16.373 193 HB1 ALA 24 HB1 ALA 24 4.708 -10.473 18.417 194 HB2 ALA 24 HB2 ALA 24 5.700 -9.060 18.782 195 HB3 ALA 24 HB3 ALA 24 6.437 -10.482 18.044 196 H VAL 25 H VAL 25 6.691 -9.920 14.659 197 HA VAL 25 HA VAL 25 4.966 -11.839 13.406 198 HB VAL 25 HB VAL 25 7.936 -11.279 12.914 199 HG11 VAL 25 HG11 VAL 25 6.023 -12.969 11.237 200 HG12 VAL 25 HG12 VAL 25 7.398 -13.571 12.167 201 HG13 VAL 25 HG13 VAL 25 7.668 -12.522 10.776 202 HG21 VAL 25 HG21 VAL 25 6.494 -9.367 12.370 203 HG22 VAL 25 HG22 VAL 25 5.484 -10.384 11.345 204 HG23 VAL 25 HG23 VAL 25 7.164 -10.071 10.902 205 H GLU 26 H GLU 26 4.542 -13.655 14.533 206 HA GLU 26 HA GLU 26 6.508 -15.111 16.090 207 HB2 GLU 26 HB2 GLU 26 3.622 -15.825 15.384 208 HB3 GLU 26 HB3 GLU 26 4.634 -16.654 16.571 209 HG2 GLU 26 HG2 GLU 26 3.623 -13.802 16.715 210 HG3 GLU 26 HG3 GLU 26 3.088 -15.165 17.696 211 H LYS 27 H LYS 27 4.454 -15.824 13.253 212 HA LYS 27 HA LYS 27 6.264 -18.028 12.481 213 HB2 LYS 27 HB2 LYS 27 3.898 -18.653 12.730 214 HB3 LYS 27 HB3 LYS 27 3.413 -17.396 11.597 215 HG2 LYS 27 HG2 LYS 27 4.508 -18.544 9.759 216 HG3 LYS 27 HG3 LYS 27 5.194 -19.733 10.867 217 HD2 LYS 27 HD2 LYS 27 2.965 -20.612 11.365 218 HD3 LYS 27 HD3 LYS 27 2.212 -19.368 10.361 219 HE2 LYS 27 HE2 LYS 27 2.316 -21.534 9.186 220 HE3 LYS 27 HE3 LYS 27 3.296 -20.324 8.360 221 HZ1 LYS 27 HZ1 LYS 27 4.316 -22.425 10.189 222 HZ2 LYS 27 HZ2 LYS 27 5.263 -21.270 9.401 223 HZ3 LYS 27 HZ3 LYS 27 4.435 -22.436 8.502 224 H LYS 28 H LYS 28 7.243 -18.047 10.524 225 HA LYS 28 HA LYS 28 7.012 -15.720 8.725 226 HB2 LYS 28 HB2 LYS 28 8.987 -15.285 10.068 227 HB3 LYS 28 HB3 LYS 28 9.563 -16.939 9.888 228 HG2 LYS 28 HG2 LYS 28 10.068 -16.584 7.544 229 HG3 LYS 28 HG3 LYS 28 9.295 -15.000 7.567 230 HD2 LYS 28 HD2 LYS 28 11.046 -14.192 9.144 231 HD3 LYS 28 HD3 LYS 28 11.834 -15.772 9.061 232 HE2 LYS 28 HE2 LYS 28 12.256 -15.446 6.653 233 HE3 LYS 28 HE3 LYS 28 11.406 -13.898 6.697 234 HZ1 LYS 28 HZ1 LYS 28 13.070 -13.073 8.228 235 HZ2 LYS 28 HZ2 LYS 28 13.785 -13.601 6.787 236 HZ3 LYS 28 HZ3 LYS 28 13.883 -14.555 8.180 237 H GLY 29 H GLY 29 6.633 -16.367 6.708 238 HA2 GLY 29 HA2 GLY 29 7.557 -19.041 5.777 239 HA3 GLY 29 HA3 GLY 29 6.020 -18.321 5.318 240 H ALA 30 H ALA 30 6.190 -17.874 3.184 241 HA ALA 30 HA ALA 30 8.654 -17.258 1.880 242 HB1 ALA 30 HB1 ALA 30 6.855 -18.495 0.752 243 HB2 ALA 30 HB2 ALA 30 7.262 -17.035 -0.147 244 HB3 ALA 30 HB3 ALA 30 5.798 -17.083 0.838 245 H GLU 31 H GLU 31 9.602 -15.325 1.679 246 HA GLU 31 HA GLU 31 8.629 -12.987 2.963 247 HB2 GLU 31 HB2 GLU 31 10.960 -13.324 1.030 248 HB3 GLU 31 HB3 GLU 31 10.705 -11.931 2.086 249 HG2 GLU 31 HG2 GLU 31 11.104 -13.224 4.054 250 HG3 GLU 31 HG3 GLU 31 11.025 -14.748 3.171 251 H ALA 32 H ALA 32 8.940 -13.892 -0.441 252 HA ALA 32 HA ALA 32 8.073 -11.358 -1.485 253 HB1 ALA 32 HB1 ALA 32 8.299 -12.420 -3.687 254 HB2 ALA 32 HB2 ALA 32 8.507 -13.996 -2.920 255 HB3 ALA 32 HB3 ALA 32 9.720 -12.737 -2.687 256 H ALA 33 H ALA 33 6.637 -14.656 -1.466 257 HA ALA 33 HA ALA 33 4.035 -13.529 -2.379 258 HB1 ALA 33 HB1 ALA 33 5.260 -14.729 -4.165 259 HB2 ALA 33 HB2 ALA 33 3.758 -15.552 -3.746 260 HB3 ALA 33 HB3 ALA 33 5.302 -16.183 -3.163 261 H GLY 34 H GLY 34 4.912 -14.197 0.429 262 HA2 GLY 34 HA2 GLY 34 3.497 -16.618 1.199 263 HA3 GLY 34 HA3 GLY 34 4.300 -15.478 2.266 264 H ALA 35 H ALA 35 1.690 -16.746 2.564 265 HA ALA 35 HA ALA 35 -0.304 -14.650 2.379 266 HB1 ALA 35 HB1 ALA 35 -1.723 -16.227 3.669 267 HB2 ALA 35 HB2 ALA 35 -0.335 -17.296 3.890 268 HB3 ALA 35 HB3 ALA 35 -0.982 -17.015 2.274 269 H ILE 36 H ILE 36 -1.215 -13.570 4.287 270 HA ILE 36 HA ILE 36 0.579 -13.397 6.638 271 HB ILE 36 HB ILE 36 -0.873 -10.998 5.437 272 HG12 ILE 36 HG12 ILE 36 0.856 -11.667 3.808 273 HG13 ILE 36 HG13 ILE 36 1.300 -10.152 4.586 274 HG21 ILE 36 HG21 ILE 36 0.576 -9.667 6.952 275 HG22 ILE 36 HG22 ILE 36 1.278 -11.159 7.583 276 HG23 ILE 36 HG23 ILE 36 -0.434 -10.813 7.838 277 HD11 ILE 36 HD11 ILE 36 3.249 -11.457 4.385 278 HD12 ILE 36 HD12 ILE 36 2.467 -12.884 5.049 279 HD13 ILE 36 HD13 ILE 36 2.807 -11.500 6.085 280 H PHE 37 H PHE 37 -0.613 -14.249 8.256 281 HA PHE 37 HA PHE 37 -3.450 -13.498 8.573 282 HB2 PHE 37 HB2 PHE 37 -1.907 -15.949 9.529 283 HB3 PHE 37 HB3 PHE 37 -3.508 -15.531 10.142 284 HD1 PHE 37 HD1 PHE 37 -1.637 -16.432 7.045 285 HD2 PHE 37 HD2 PHE 37 -5.479 -16.014 8.879 286 HE1 PHE 37 HE1 PHE 37 -2.686 -17.501 5.098 287 HE2 PHE 37 HE2 PHE 37 -6.509 -17.085 6.931 288 HZ PHE 37 HZ PHE 37 -5.125 -17.828 5.040 289 H VAL 38 H VAL 38 -3.751 -11.961 9.968 290 HA VAL 38 HA VAL 38 -1.786 -11.392 12.113 291 HB VAL 38 HB VAL 38 -3.791 -9.471 10.819 292 HG11 VAL 38 HG11 VAL 38 -1.381 -8.911 12.593 293 HG12 VAL 38 HG12 VAL 38 -3.074 -8.805 13.088 294 HG13 VAL 38 HG13 VAL 38 -2.441 -7.694 11.872 295 HG21 VAL 38 HG21 VAL 38 -1.924 -8.530 9.536 296 HG22 VAL 38 HG22 VAL 38 -2.135 -10.238 9.138 297 HG23 VAL 38 HG23 VAL 38 -0.824 -9.733 10.212 298 H ARG 39 H ARG 39 -2.547 -11.519 14.207 299 HA ARG 39 HA ARG 39 -5.472 -11.890 14.584 300 HB2 ARG 39 HB2 ARG 39 -4.908 -13.335 16.541 301 HB3 ARG 39 HB3 ARG 39 -4.396 -13.980 14.999 302 HG2 ARG 39 HG2 ARG 39 -2.394 -14.388 15.947 303 HG3 ARG 39 HG3 ARG 39 -2.111 -12.656 15.886 304 HD2 ARG 39 HD2 ARG 39 -1.637 -13.436 18.110 305 HD3 ARG 39 HD3 ARG 39 -3.096 -12.450 18.174 306 HE ARG 39 HE ARG 39 -4.338 -14.611 18.184 307 HH11 ARG 39 HH11 ARG 39 -1.030 -14.543 19.400 308 HH12 ARG 39 HH12 ARG 39 -1.321 -15.796 20.561 309 HH21 ARG 39 HH21 ARG 39 -4.697 -16.196 19.718 310 HH22 ARG 39 HH22 ARG 39 -3.403 -16.748 20.732 311 H GLN 40 H GLN 40 -6.421 -10.393 15.609 312 HA GLN 40 HA GLN 40 -5.118 -8.198 16.960 313 HB2 GLN 40 HB2 GLN 40 -6.879 -7.644 15.452 314 HB3 GLN 40 HB3 GLN 40 -7.932 -8.884 16.088 315 HG2 GLN 40 HG2 GLN 40 -8.831 -6.777 16.696 316 HG3 GLN 40 HG3 GLN 40 -8.215 -7.533 18.159 317 HE21 GLN 40 HE21 GLN 40 -8.773 -4.710 17.443 318 HE22 GLN 40 HE22 GLN 40 -7.323 -3.861 17.832 319 H ARG 41 H ARG 41 -5.333 -7.660 19.134 320 HA ARG 41 HA ARG 41 -6.969 -9.388 20.893 321 HB2 ARG 41 HB2 ARG 41 -4.504 -9.885 21.056 322 HB3 ARG 41 HB3 ARG 41 -4.241 -8.226 21.580 323 HG2 ARG 41 HG2 ARG 41 -5.580 -8.612 23.602 324 HG3 ARG 41 HG3 ARG 41 -5.972 -10.248 23.053 325 HD2 ARG 41 HD2 ARG 41 -3.228 -9.192 23.818 326 HD3 ARG 41 HD3 ARG 41 -4.186 -10.385 24.705 327 HE ARG 41 HE ARG 41 -2.557 -10.823 22.347 328 HH11 ARG 41 HH11 ARG 41 -5.198 -12.186 24.236 329 HH12 ARG 41 HH12 ARG 41 -5.022 -13.761 23.541 330 HH21 ARG 41 HH21 ARG 41 -2.361 -12.907 21.458 331 HH22 ARG 41 HH22 ARG 41 -3.444 -14.167 21.965 332 H LEU 42 H LEU 42 -8.424 -8.233 21.989 333 HA LEU 42 HA LEU 42 -8.386 -5.293 21.915 334 HB2 LEU 42 HB2 LEU 42 -10.596 -7.260 22.669 335 HB3 LEU 42 HB3 LEU 42 -10.785 -5.519 22.695 336 HG LEU 42 HG LEU 42 -11.866 -6.292 20.730 337 HD11 LEU 42 HD11 LEU 42 -10.703 -5.172 18.918 338 HD12 LEU 42 HD12 LEU 42 -9.202 -5.172 19.848 339 HD13 LEU 42 HD13 LEU 42 -10.594 -4.244 20.414 340 HD21 LEU 42 HD21 LEU 42 -9.374 -7.828 19.946 341 HD22 LEU 42 HD22 LEU 42 -10.860 -7.688 19.002 342 HD23 LEU 42 HD23 LEU 42 -10.882 -8.519 20.554 343 H ARG 43 H ARG 43 -9.190 -4.108 23.835 344 HA ARG 43 HA ARG 43 -7.962 -4.725 26.327 345 HB2 ARG 43 HB2 ARG 43 -9.253 -2.822 27.236 346 HB3 ARG 43 HB3 ARG 43 -8.537 -2.401 25.684 347 HG2 ARG 43 HG2 ARG 43 -10.695 -2.676 24.558 348 HG3 ARG 43 HG3 ARG 43 -11.441 -3.239 26.056 349 HD2 ARG 43 HD2 ARG 43 -10.250 -0.474 25.660 350 HD3 ARG 43 HD3 ARG 43 -11.959 -0.858 25.480 351 HE ARG 43 HE ARG 43 -11.393 -1.707 28.003 352 HH11 ARG 43 HH11 ARG 43 -10.843 1.374 26.378 353 HH12 ARG 43 HH12 ARG 43 -11.114 2.305 27.816 354 HH21 ARG 43 HH21 ARG 43 -11.769 -0.446 29.859 355 HH22 ARG 43 HH22 ARG 43 -11.644 1.282 29.771 356 H ASP 44 H ASP 44 -11.028 -5.472 24.907 357 HA ASP 44 HA ASP 44 -12.634 -6.218 27.074 358 HB2 ASP 44 HB2 ASP 44 -12.570 -7.404 24.256 359 HB3 ASP 44 HB3 ASP 44 -13.914 -7.527 25.394 360 H GLY 45 H GLY 45 -9.880 -7.782 25.700 361 HA2 GLY 45 HA2 GLY 45 -8.777 -9.719 26.316 362 HA3 GLY 45 HA3 GLY 45 -10.126 -10.167 27.354 363 H ARG 46 H ARG 46 -10.851 -9.175 24.137 364 HA ARG 46 HA ARG 46 -11.414 -11.954 23.265 365 HB2 ARG 46 HB2 ARG 46 -12.482 -9.375 22.022 366 HB3 ARG 46 HB3 ARG 46 -13.044 -11.020 21.731 367 HG2 ARG 46 HG2 ARG 46 -13.391 -9.389 24.265 368 HG3 ARG 46 HG3 ARG 46 -14.653 -9.846 23.118 369 HD2 ARG 46 HD2 ARG 46 -14.443 -12.177 23.747 370 HD3 ARG 46 HD3 ARG 46 -13.028 -11.831 24.747 371 HE ARG 46 HE ARG 46 -15.343 -10.351 25.552 372 HH11 ARG 46 HH11 ARG 46 -13.821 -13.500 25.872 373 HH12 ARG 46 HH12 ARG 46 -14.530 -13.807 27.426 374 HH21 ARG 46 HH21 ARG 46 -16.257 -10.763 27.580 375 HH22 ARG 46 HH22 ARG 46 -15.918 -12.261 28.387 376 H GLU 47 H GLU 47 -11.325 -11.960 20.696 377 HA GLU 47 HA GLU 47 -8.936 -10.622 19.682 378 HB2 GLU 47 HB2 GLU 47 -9.250 -13.650 19.839 379 HB3 GLU 47 HB3 GLU 47 -8.142 -12.862 18.718 380 HG2 GLU 47 HG2 GLU 47 -7.180 -11.708 20.875 381 HG3 GLU 47 HG3 GLU 47 -7.990 -13.026 21.727 382 H ASN 48 H ASN 48 -8.641 -10.840 17.419 383 HA ASN 48 HA ASN 48 -10.863 -11.904 15.783 384 HB2 ASN 48 HB2 ASN 48 -9.407 -9.260 15.231 385 HB3 ASN 48 HB3 ASN 48 -10.554 -10.028 14.146 386 HD21 ASN 48 HD21 ASN 48 -10.232 -8.537 17.310 387 HD22 ASN 48 HD22 ASN 48 -11.845 -7.945 17.415 388 H LEU 49 H LEU 49 -10.044 -12.373 13.548 389 HA LEU 49 HA LEU 49 -7.130 -12.707 13.311 390 HB2 LEU 49 HB2 LEU 49 -8.266 -14.883 13.950 391 HB3 LEU 49 HB3 LEU 49 -9.138 -14.831 12.450 392 HG LEU 49 HG LEU 49 -7.146 -15.205 11.150 393 HD11 LEU 49 HD11 LEU 49 -4.876 -15.350 12.103 394 HD12 LEU 49 HD12 LEU 49 -5.497 -14.844 13.677 395 HD13 LEU 49 HD13 LEU 49 -5.563 -13.740 12.300 396 HD21 LEU 49 HD21 LEU 49 -7.022 -16.999 13.599 397 HD22 LEU 49 HD22 LEU 49 -6.345 -17.359 12.007 398 HD23 LEU 49 HD23 LEU 49 -8.089 -17.213 12.207 399 H TYR 50 H TYR 50 -6.388 -12.449 11.244 400 HA TYR 50 HA TYR 50 -8.288 -11.524 9.184 401 HB2 TYR 50 HB2 TYR 50 -5.617 -10.165 9.830 402 HB3 TYR 50 HB3 TYR 50 -6.852 -9.608 8.700 403 HD1 TYR 50 HD1 TYR 50 -9.309 -9.358 9.883 404 HD2 TYR 50 HD2 TYR 50 -5.561 -9.025 11.898 405 HE1 TYR 50 HE1 TYR 50 -10.388 -8.095 11.687 406 HE2 TYR 50 HE2 TYR 50 -6.642 -7.749 13.684 407 HH TYR 50 HH TYR 50 -8.629 -6.383 14.037 408 H GLY 51 H GLY 51 -7.374 -11.598 7.038 409 HA2 GLY 51 HA2 GLY 51 -4.956 -13.169 6.556 410 HA3 GLY 51 HA3 GLY 51 -6.481 -13.901 6.048 411 HA PRO 52 HA PRO 52 -5.034 -10.797 2.757 412 HB2 PRO 52 HB2 PRO 52 -4.299 -13.066 1.007 413 HB3 PRO 52 HB3 PRO 52 -3.312 -11.694 1.515 414 HG2 PRO 52 HG2 PRO 52 -2.845 -14.234 2.394 415 HG3 PRO 52 HG3 PRO 52 -2.481 -12.793 3.366 416 HD2 PRO 52 HD2 PRO 52 -4.864 -14.643 3.551 417 HD3 PRO 52 HD3 PRO 52 -3.872 -13.943 4.855 418 H ALA 53 H ALA 53 -6.993 -10.149 1.928 419 HA ALA 53 HA ALA 53 -9.119 -11.919 1.240 420 HB1 ALA 53 HB1 ALA 53 -9.552 -9.583 1.892 421 HB2 ALA 53 HB2 ALA 53 -10.238 -9.928 0.303 422 HB3 ALA 53 HB3 ALA 53 -8.735 -9.004 0.441 423 HA PRO 54 HA PRO 54 -7.773 -13.233 -2.836 424 HB2 PRO 54 HB2 PRO 54 -10.227 -13.643 -4.081 425 HB3 PRO 54 HB3 PRO 54 -9.502 -14.770 -2.928 426 HG2 PRO 54 HG2 PRO 54 -11.620 -12.683 -2.469 427 HG3 PRO 54 HG3 PRO 54 -11.534 -14.343 -1.844 428 HD2 PRO 54 HD2 PRO 54 -10.868 -12.200 -0.319 429 HD3 PRO 54 HD3 PRO 54 -10.034 -13.756 -0.143 430 H GLN 55 H GLN 55 -6.767 -11.630 -3.849 431 HA GLN 55 HA GLN 55 -7.577 -9.013 -4.239 432 HB2 GLN 55 HB2 GLN 55 -5.215 -9.723 -4.284 433 HB3 GLN 55 HB3 GLN 55 -5.487 -10.626 -5.765 434 HG2 GLN 55 HG2 GLN 55 -4.331 -8.634 -6.377 435 HG3 GLN 55 HG3 GLN 55 -5.994 -8.430 -6.918 436 HE21 GLN 55 HE21 GLN 55 -3.931 -6.405 -6.369 437 HE22 GLN 55 HE22 GLN 55 -4.600 -5.348 -5.176 438 H SER 56 H SER 56 -9.058 -8.159 -5.556 439 HA SER 56 HA SER 56 -10.181 -9.531 -7.827 440 HB2 SER 56 HB2 SER 56 -11.541 -8.013 -6.375 441 HB3 SER 56 HB3 SER 56 -10.571 -6.643 -6.906 442 HG SER 56 HG SER 56 -12.478 -8.144 -8.303 443 H PHE 57 H PHE 57 -8.408 -9.884 -9.186 444 HA PHE 57 HA PHE 57 -7.270 -7.494 -10.531 445 HB2 PHE 57 HB2 PHE 57 -5.201 -8.736 -10.941 446 HB3 PHE 57 HB3 PHE 57 -5.531 -8.667 -9.220 447 HD1 PHE 57 HD1 PHE 57 -5.349 -10.903 -12.178 448 HD2 PHE 57 HD2 PHE 57 -5.941 -10.700 -7.949 449 HE1 PHE 57 HE1 PHE 57 -5.017 -13.332 -12.009 450 HE2 PHE 57 HE2 PHE 57 -5.626 -13.135 -7.790 451 HZ PHE 57 HZ PHE 57 -5.159 -14.452 -9.820 452 H ALA 58 H ALA 58 -6.699 -7.783 -12.751 453 HA ALA 58 HA ALA 58 -7.996 -9.951 -14.250 454 HB1 ALA 58 HB1 ALA 58 -9.622 -8.104 -14.203 455 HB2 ALA 58 HB2 ALA 58 -8.983 -8.329 -15.832 456 HB3 ALA 58 HB3 ALA 58 -8.404 -6.991 -14.829 457 H ASP 59 H ASP 59 -6.832 -10.579 -15.980 458 HA ASP 59 HA ASP 59 -5.158 -10.888 -17.464 459 HB2 ASP 59 HB2 ASP 59 -6.034 -8.584 -18.226 460 HB3 ASP 59 HB3 ASP 59 -4.681 -7.871 -17.363 461 H ASP 60 H ASP 60 -4.669 -10.614 -14.453 462 HA ASP 60 HA ASP 60 -3.076 -10.743 -12.875 463 HB2 ASP 60 HB2 ASP 60 -1.471 -11.679 -15.277 464 HB3 ASP 60 HB3 ASP 60 -0.796 -11.689 -13.650 465 H GLU 61 H GLU 61 -3.329 -8.168 -14.465 466 HA GLU 61 HA GLU 61 -0.714 -6.923 -14.388 467 HB2 GLU 61 HB2 GLU 61 -3.493 -5.800 -14.919 468 HB3 GLU 61 HB3 GLU 61 -1.994 -4.886 -15.095 469 HG2 GLU 61 HG2 GLU 61 -2.730 -7.376 -16.670 470 HG3 GLU 61 HG3 GLU 61 -2.878 -5.714 -17.251 471 H ASP 62 H ASP 62 -3.769 -6.710 -12.601 472 HA ASP 62 HA ASP 62 -3.027 -4.564 -10.883 473 HB2 ASP 62 HB2 ASP 62 -5.232 -6.593 -10.393 474 HB3 ASP 62 HB3 ASP 62 -5.107 -4.983 -9.695 475 H ILE 63 H ILE 63 -2.078 -7.811 -10.806 476 HA ILE 63 HA ILE 63 -1.456 -8.288 -8.107 477 HB ILE 63 HB ILE 63 0.223 -8.972 -10.583 478 HG12 ILE 63 HG12 ILE 63 -2.028 -9.896 -10.833 479 HG13 ILE 63 HG13 ILE 63 -0.906 -11.211 -10.504 480 HG21 ILE 63 HG21 ILE 63 1.209 -10.812 -9.227 481 HG22 ILE 63 HG22 ILE 63 0.338 -10.229 -7.806 482 HG23 ILE 63 HG23 ILE 63 1.578 -9.222 -8.557 483 HD11 ILE 63 HD11 ILE 63 -2.805 -9.942 -8.549 484 HD12 ILE 63 HD12 ILE 63 -1.650 -11.227 -8.168 485 HD13 ILE 63 HD13 ILE 63 -2.956 -11.521 -9.315 486 H MET 64 H MET 64 0.340 -6.610 -10.658 487 HA MET 64 HA MET 64 2.494 -5.715 -8.885 488 HB2 MET 64 HB2 MET 64 2.041 -5.445 -11.896 489 HB3 MET 64 HB3 MET 64 3.498 -4.910 -11.056 490 HG2 MET 64 HG2 MET 64 4.213 -7.105 -10.632 491 HG3 MET 64 HG3 MET 64 2.600 -7.787 -10.860 492 HE1 MET 64 HE1 MET 64 1.575 -6.563 -13.565 493 HE2 MET 64 HE2 MET 64 1.497 -8.284 -13.183 494 HE3 MET 64 HE3 MET 64 2.168 -7.749 -14.726 495 H ARG 65 H ARG 65 -0.372 -4.499 -10.466 496 HA ARG 65 HA ARG 65 0.439 -1.690 -10.235 497 HB2 ARG 65 HB2 ARG 65 -2.060 -2.887 -11.496 498 HB3 ARG 65 HB3 ARG 65 -1.548 -1.203 -11.605 499 HG2 ARG 65 HG2 ARG 65 -0.186 -3.626 -12.834 500 HG3 ARG 65 HG3 ARG 65 -1.010 -2.314 -13.681 501 HD2 ARG 65 HD2 ARG 65 0.737 -0.733 -12.887 502 HD3 ARG 65 HD3 ARG 65 1.566 -2.072 -12.076 503 HE ARG 65 HE ARG 65 1.347 -2.913 -14.652 504 HH11 ARG 65 HH11 ARG 65 2.702 0.001 -13.238 505 HH12 ARG 65 HH12 ARG 65 3.911 0.170 -14.469 506 HH21 ARG 65 HH21 ARG 65 2.926 -2.675 -16.250 507 HH22 ARG 65 HH22 ARG 65 4.036 -1.343 -16.182 508 H ALA 66 H ALA 66 -1.173 -3.924 -8.315 509 HA ALA 66 HA ALA 66 -1.918 -1.855 -6.413 510 HB1 ALA 66 HB1 ALA 66 -4.030 -3.813 -7.415 511 HB2 ALA 66 HB2 ALA 66 -4.004 -2.078 -7.737 512 HB3 ALA 66 HB3 ALA 66 -4.228 -2.662 -6.087 513 H GLU 67 H GLU 67 -1.664 -2.607 -4.308 514 HA GLU 67 HA GLU 67 -0.772 -5.343 -3.915 515 HB2 GLU 67 HB2 GLU 67 -0.378 -4.735 -1.594 516 HB3 GLU 67 HB3 GLU 67 0.320 -3.542 -2.675 517 HG2 GLU 67 HG2 GLU 67 -2.215 -2.485 -2.113 518 HG3 GLU 67 HG3 GLU 67 -1.725 -3.215 -0.583 519 H ARG 68 H ARG 68 -1.829 -6.736 -2.246 520 HA ARG 68 HA ARG 68 -4.703 -6.778 -2.665 521 HB2 ARG 68 HB2 ARG 68 -4.629 -8.950 -1.437 522 HB3 ARG 68 HB3 ARG 68 -3.561 -8.890 -2.834 523 HG2 ARG 68 HG2 ARG 68 -1.615 -8.564 -1.365 524 HG3 ARG 68 HG3 ARG 68 -2.669 -8.561 0.053 525 HD2 ARG 68 HD2 ARG 68 -1.554 -10.754 -0.285 526 HD3 ARG 68 HD3 ARG 68 -3.314 -10.878 -0.357 527 HE ARG 68 HE ARG 68 -1.460 -11.010 -2.667 528 HH11 ARG 68 HH11 ARG 68 -4.710 -11.553 -1.404 529 HH12 ARG 68 HH12 ARG 68 -5.156 -12.606 -2.703 530 HH21 ARG 68 HH21 ARG 68 -2.108 -12.340 -4.393 531 HH22 ARG 68 HH22 ARG 68 -3.695 -13.042 -4.397 532 H ARG 69 H ARG 69 -6.238 -6.204 -1.264 533 HA ARG 69 HA ARG 69 -5.628 -5.071 1.331 534 HB2 ARG 69 HB2 ARG 69 -7.375 -4.205 -0.337 535 HB3 ARG 69 HB3 ARG 69 -8.349 -5.618 0.059 536 HG2 ARG 69 HG2 ARG 69 -8.648 -4.856 2.337 537 HG3 ARG 69 HG3 ARG 69 -7.467 -3.561 2.115 538 HD2 ARG 69 HD2 ARG 69 -8.950 -2.425 0.535 539 HD3 ARG 69 HD3 ARG 69 -10.103 -3.760 0.610 540 HE ARG 69 HE ARG 69 -9.892 -2.944 3.198 541 HH11 ARG 69 HH11 ARG 69 -10.669 -1.207 0.250 542 HH12 ARG 69 HH12 ARG 69 -11.740 -0.103 1.048 543 HH21 ARG 69 HH21 ARG 69 -11.280 -1.514 4.225 544 HH22 ARG 69 HH22 ARG 69 -12.083 -0.278 3.312 545 H PHE 70 H PHE 70 -6.845 -5.923 3.269 546 HA PHE 70 HA PHE 70 -6.646 -8.869 3.337 547 HB2 PHE 70 HB2 PHE 70 -6.281 -6.697 5.427 548 HB3 PHE 70 HB3 PHE 70 -6.630 -8.351 5.923 549 HD1 PHE 70 HD1 PHE 70 -4.404 -6.920 3.233 550 HD2 PHE 70 HD2 PHE 70 -4.691 -9.318 6.763 551 HE1 PHE 70 HE1 PHE 70 -2.035 -7.524 3.019 552 HE2 PHE 70 HE2 PHE 70 -2.326 -9.914 6.539 553 HZ PHE 70 HZ PHE 70 -0.996 -9.021 4.668 554 H GLU 71 H GLU 71 -8.063 -9.791 5.151 555 HA GLU 71 HA GLU 71 -10.818 -8.774 5.141 556 HB2 GLU 71 HB2 GLU 71 -11.686 -11.039 4.695 557 HB3 GLU 71 HB3 GLU 71 -10.678 -10.499 3.358 558 HG2 GLU 71 HG2 GLU 71 -8.873 -11.947 3.991 559 HG3 GLU 71 HG3 GLU 71 -9.617 -12.313 5.549 560 H THR 72 H THR 72 -12.126 -9.999 6.826 561 HA THR 72 HA THR 72 -10.484 -10.555 9.209 562 HB THR 72 HB THR 72 -13.494 -10.027 9.061 563 HG1 THR 72 HG1 THR 72 -13.033 -7.914 9.422 564 HG21 THR 72 HG21 THR 72 -13.295 -9.543 11.462 565 HG22 THR 72 HG22 THR 72 -11.565 -9.882 11.411 566 HG23 THR 72 HG23 THR 72 -12.727 -11.184 11.137 567 H ARG 73 H ARG 73 -10.049 -12.727 9.431 568 HA ARG 73 HA ARG 73 -11.644 -14.838 8.315 569 HB2 ARG 73 HB2 ARG 73 -9.235 -14.761 10.162 570 HB3 ARG 73 HB3 ARG 73 -10.049 -16.280 9.814 571 HG2 ARG 73 HG2 ARG 73 -8.781 -14.478 7.721 572 HG3 ARG 73 HG3 ARG 73 -8.017 -15.898 8.442 573 HD2 ARG 73 HD2 ARG 73 -10.247 -17.110 7.578 574 HD3 ARG 73 HD3 ARG 73 -10.270 -15.748 6.445 575 HE ARG 73 HE ARG 73 -8.012 -17.652 6.743 576 HH11 ARG 73 HH11 ARG 73 -10.040 -15.705 4.628 577 HH12 ARG 73 HH12 ARG 73 -9.192 -16.204 3.202 578 HH21 ARG 73 HH21 ARG 73 -6.939 -18.274 4.876 579 HH22 ARG 73 HH22 ARG 73 -7.436 -17.630 3.342 580 H LEU 74 H LEU 74 -11.111 -13.555 11.598 581 HA LEU 74 HA LEU 74 -13.560 -14.876 12.609 582 HB2 LEU 74 HB2 LEU 74 -10.810 -15.013 13.932 583 HB3 LEU 74 HB3 LEU 74 -12.304 -15.537 14.698 584 HG LEU 74 HG LEU 74 -11.167 -16.796 12.163 585 HD11 LEU 74 HD11 LEU 74 -9.626 -17.178 14.014 586 HD12 LEU 74 HD12 LEU 74 -10.437 -18.672 13.555 587 HD13 LEU 74 HD13 LEU 74 -10.941 -17.808 15.012 588 HD21 LEU 74 HD21 LEU 74 -13.389 -17.745 14.008 589 HD22 LEU 74 HD22 LEU 74 -12.763 -18.621 12.607 590 HD23 LEU 74 HD23 LEU 74 -13.596 -17.085 12.383 591 H ALA 75 H ALA 75 -14.319 -13.836 14.674 592 HA ALA 75 HA ALA 75 -13.176 -11.252 15.367 593 HB1 ALA 75 HB1 ALA 75 -15.956 -11.354 14.139 594 HB2 ALA 75 HB2 ALA 75 -14.508 -10.715 13.355 595 HB3 ALA 75 HB3 ALA 75 -15.146 -9.926 14.798 596 H GLY 76 H GLY 76 -13.600 -10.652 17.414 597 HA2 GLY 76 HA2 GLY 76 -14.406 -10.611 19.565 598 HA3 GLY 76 HA3 GLY 76 -15.954 -11.130 18.919 599 H VAL 77 H VAL 77 -13.029 -12.976 18.560 600 HA VAL 77 HA VAL 77 -14.258 -15.265 19.961 601 HB VAL 77 HB VAL 77 -12.710 -16.661 18.553 602 HG11 VAL 77 HG11 VAL 77 -14.520 -14.818 16.943 603 HG12 VAL 77 HG12 VAL 77 -15.017 -16.288 17.785 604 HG13 VAL 77 HG13 VAL 77 -13.918 -16.392 16.409 605 HG21 VAL 77 HG21 VAL 77 -10.919 -15.014 18.160 606 HG22 VAL 77 HG22 VAL 77 -12.011 -14.026 17.187 607 HG23 VAL 77 HG23 VAL 77 -11.528 -15.628 16.619 608 H GLU 78 H GLU 78 -12.022 -16.866 20.322 609 HA GLU 78 HA GLU 78 -10.230 -15.307 22.104 610 HB2 GLU 78 HB2 GLU 78 -10.127 -17.302 23.576 611 HB3 GLU 78 HB3 GLU 78 -11.758 -16.648 23.459 612 HG2 GLU 78 HG2 GLU 78 -12.376 -18.420 21.879 613 HG3 GLU 78 HG3 GLU 78 -10.736 -19.067 21.941 614 H GLY 79 H GLY 79 -8.206 -16.659 22.637 615 HA2 GLY 79 HA2 GLY 79 -6.619 -16.835 20.326 616 HA3 GLY 79 HA3 GLY 79 -6.160 -17.380 21.934 617 H GLU 80 H GLU 80 -8.413 -19.307 22.025 618 HA GLU 80 HA GLU 80 -7.156 -21.604 20.926 619 HB2 GLU 80 HB2 GLU 80 -8.669 -21.631 22.920 620 HB3 GLU 80 HB3 GLU 80 -10.040 -21.290 21.868 621 HG2 GLU 80 HG2 GLU 80 -9.641 -23.446 20.685 622 HG3 GLU 80 HG3 GLU 80 -8.305 -23.787 21.785 623 H GLU 81 H GLU 81 -9.964 -19.658 19.942 624 HA GLU 81 HA GLU 81 -10.688 -21.143 17.629 625 HB2 GLU 81 HB2 GLU 81 -11.223 -18.204 18.239 626 HB3 GLU 81 HB3 GLU 81 -12.085 -19.193 17.058 627 HG2 GLU 81 HG2 GLU 81 -12.102 -19.588 20.075 628 HG3 GLU 81 HG3 GLU 81 -13.387 -18.849 19.121 629 H ILE 82 H ILE 82 -8.563 -18.397 18.193 630 HA ILE 82 HA ILE 82 -7.962 -17.666 15.542 631 HB ILE 82 HB ILE 82 -6.226 -17.442 18.045 632 HG12 ILE 82 HG12 ILE 82 -8.364 -16.249 18.305 633 HG13 ILE 82 HG13 ILE 82 -7.047 -15.096 18.165 634 HG21 ILE 82 HG21 ILE 82 -4.818 -17.215 16.062 635 HG22 ILE 82 HG22 ILE 82 -4.990 -15.652 16.857 636 HG23 ILE 82 HG23 ILE 82 -5.905 -15.999 15.386 637 HD11 ILE 82 HD11 ILE 82 -9.013 -15.835 16.004 638 HD12 ILE 82 HD12 ILE 82 -7.666 -14.703 15.828 639 HD13 ILE 82 HD13 ILE 82 -8.973 -14.350 16.954 640 H ALA 83 H ALA 83 -6.109 -19.710 17.808 641 HA ALA 83 HA ALA 83 -4.148 -20.583 15.952 642 HB1 ALA 83 HB1 ALA 83 -3.467 -22.154 17.717 643 HB2 ALA 83 HB2 ALA 83 -4.955 -21.811 18.605 644 HB3 ALA 83 HB3 ALA 83 -3.752 -20.541 18.379 645 H ALA 84 H ALA 84 -7.362 -21.685 16.699 646 HA ALA 84 HA ALA 84 -7.255 -24.318 15.665 647 HB1 ALA 84 HB1 ALA 84 -9.648 -22.449 15.747 648 HB2 ALA 84 HB2 ALA 84 -9.135 -23.528 17.044 649 HB3 ALA 84 HB3 ALA 84 -9.699 -24.202 15.514 650 H LEU 85 H LEU 85 -7.921 -21.158 14.065 651 HA LEU 85 HA LEU 85 -8.201 -22.424 11.461 652 HB2 LEU 85 HB2 LEU 85 -9.411 -20.306 11.943 653 HB3 LEU 85 HB3 LEU 85 -7.875 -19.470 12.082 654 HG LEU 85 HG LEU 85 -7.791 -20.823 9.553 655 HD11 LEU 85 HD11 LEU 85 -9.690 -19.994 8.328 656 HD12 LEU 85 HD12 LEU 85 -10.432 -19.432 9.830 657 HD13 LEU 85 HD13 LEU 85 -10.131 -21.157 9.575 658 HD21 LEU 85 HD21 LEU 85 -7.738 -18.543 8.576 659 HD22 LEU 85 HD22 LEU 85 -6.598 -18.818 9.893 660 HD23 LEU 85 HD23 LEU 85 -8.080 -17.887 10.185 661 H LEU 86 H LEU 86 -5.689 -20.576 13.192 662 HA LEU 86 HA LEU 86 -3.824 -20.214 11.147 663 HB2 LEU 86 HB2 LEU 86 -3.351 -20.627 14.122 664 HB3 LEU 86 HB3 LEU 86 -2.071 -20.185 13.001 665 HG LEU 86 HG LEU 86 -4.514 -18.494 13.675 666 HD11 LEU 86 HD11 LEU 86 -2.907 -16.955 14.724 667 HD12 LEU 86 HD12 LEU 86 -1.588 -18.078 14.383 668 HD13 LEU 86 HD13 LEU 86 -2.880 -18.542 15.494 669 HD21 LEU 86 HD21 LEU 86 -3.891 -18.169 11.330 670 HD22 LEU 86 HD22 LEU 86 -2.215 -17.861 11.792 671 HD23 LEU 86 HD23 LEU 86 -3.489 -16.741 12.280 672 H GLU 87 H GLU 87 -4.537 -23.093 13.064 673 HA GLU 87 HA GLU 87 -2.203 -24.551 12.217 674 HB2 GLU 87 HB2 GLU 87 -3.015 -26.409 13.462 675 HB3 GLU 87 HB3 GLU 87 -3.487 -24.994 14.385 676 HG2 GLU 87 HG2 GLU 87 -5.397 -26.300 14.521 677 HG3 GLU 87 HG3 GLU 87 -5.790 -25.264 13.167 678 H ARG 88 H ARG 88 -5.487 -24.112 11.041 679 HA ARG 88 HA ARG 88 -5.551 -26.320 9.235 680 HB2 ARG 88 HB2 ARG 88 -7.106 -23.690 9.104 681 HB3 ARG 88 HB3 ARG 88 -7.472 -25.139 8.169 682 HG2 ARG 88 HG2 ARG 88 -8.037 -26.340 10.235 683 HG3 ARG 88 HG3 ARG 88 -7.626 -24.910 11.185 684 HD2 ARG 88 HD2 ARG 88 -10.054 -25.076 10.881 685 HD3 ARG 88 HD3 ARG 88 -9.430 -23.637 10.066 686 HE ARG 88 HE ARG 88 -10.351 -26.139 8.773 687 HH11 ARG 88 HH11 ARG 88 -9.409 -22.766 8.403 688 HH12 ARG 88 HH12 ARG 88 -10.039 -22.645 6.797 689 HH21 ARG 88 HH21 ARG 88 -11.181 -25.944 6.655 690 HH22 ARG 88 HH22 ARG 88 -11.057 -24.431 5.816 691 H GLU 89 H GLU 89 -4.920 -22.853 8.909 692 HA GLU 89 HA GLU 89 -4.545 -22.791 6.110 693 HB2 GLU 89 HB2 GLU 89 -3.582 -20.784 8.194 694 HB3 GLU 89 HB3 GLU 89 -3.764 -20.482 6.465 695 HG2 GLU 89 HG2 GLU 89 -5.962 -21.065 8.457 696 HG3 GLU 89 HG3 GLU 89 -5.579 -19.499 7.760 697 H ARG 90 H ARG 90 -2.271 -22.904 8.866 698 HA ARG 90 HA ARG 90 0.120 -22.867 7.316 699 HB2 ARG 90 HB2 ARG 90 1.354 -23.366 9.285 700 HB3 ARG 90 HB3 ARG 90 -0.012 -22.391 9.814 701 HG2 ARG 90 HG2 ARG 90 -1.174 -24.462 10.548 702 HG3 ARG 90 HG3 ARG 90 0.238 -25.407 10.077 703 HD2 ARG 90 HD2 ARG 90 1.601 -24.200 11.748 704 HD3 ARG 90 HD3 ARG 90 0.189 -23.233 12.204 705 HE ARG 90 HE ARG 90 -0.324 -26.039 12.405 706 HH11 ARG 90 HH11 ARG 90 1.155 -23.371 14.145 707 HH12 ARG 90 HH12 ARG 90 0.990 -24.136 15.693 708 HH21 ARG 90 HH21 ARG 90 -0.553 -27.017 14.413 709 HH22 ARG 90 HH22 ARG 90 0.024 -26.214 15.839 710 H ARG 91 H ARG 91 -2.050 -25.450 8.182 711 HA ARG 91 HA ARG 91 -0.460 -27.719 7.635 712 HB2 ARG 91 HB2 ARG 91 -2.684 -27.767 8.781 713 HB3 ARG 91 HB3 ARG 91 -3.463 -27.338 7.265 714 HG2 ARG 91 HG2 ARG 91 -2.508 -29.520 6.318 715 HG3 ARG 91 HG3 ARG 91 -2.081 -29.938 7.980 716 HD2 ARG 91 HD2 ARG 91 -4.870 -29.409 6.889 717 HD3 ARG 91 HD3 ARG 91 -4.208 -30.966 7.389 718 HE ARG 91 HE ARG 91 -4.183 -29.045 9.521 719 HH11 ARG 91 HH11 ARG 91 -6.236 -31.357 7.853 720 HH12 ARG 91 HH12 ARG 91 -7.340 -31.495 9.182 721 HH21 ARG 91 HH21 ARG 91 -5.665 -29.230 11.225 722 HH22 ARG 91 HH22 ARG 91 -7.022 -30.299 11.074 723 H PHE 92 H PHE 92 -2.621 -25.771 5.574 724 HA PHE 92 HA PHE 92 -1.910 -27.234 3.151 725 HB2 PHE 92 HB2 PHE 92 -3.894 -24.984 3.685 726 HB3 PHE 92 HB3 PHE 92 -3.626 -25.688 2.101 727 HD1 PHE 92 HD2 PHE 92 -5.073 -26.270 5.435 728 HD2 PHE 92 HD1 PHE 92 -4.437 -27.949 1.566 729 HE1 PHE 92 HE2 PHE 92 -6.724 -28.015 5.928 730 HE2 PHE 92 HE1 PHE 92 -6.095 -29.696 2.064 731 HZ PHE 92 HZ PHE 92 -7.238 -29.733 4.241 732 H ASP 93 H ASP 93 -0.765 -24.487 4.822 733 HA ASP 93 HA ASP 93 1.057 -23.724 2.724 734 HB2 ASP 93 HB2 ASP 93 -1.045 -22.502 2.054 735 HB3 ASP 93 HB3 ASP 93 -1.043 -21.681 3.606 736 H SER 94 H SER 94 2.588 -24.238 4.327 737 HA SER 94 HA SER 94 2.711 -22.848 6.851 738 HB2 SER 94 HB2 SER 94 3.670 -25.146 6.484 739 HB3 SER 94 HB3 SER 94 4.906 -24.435 5.444 740 HG SER 94 HG SER 94 5.440 -24.789 7.752 741 H ASP 95 H ASP 95 3.229 -21.813 3.722 742 HA ASP 95 HA ASP 95 5.482 -20.048 4.101 743 HB2 ASP 95 HB2 ASP 95 3.383 -20.233 1.896 744 HB3 ASP 95 HB3 ASP 95 4.755 -19.125 1.856 745 H LEU 96 H LEU 96 2.470 -19.887 5.453 746 HA LEU 96 HA LEU 96 1.964 -17.068 5.081 747 HB2 LEU 96 HB2 LEU 96 -0.003 -17.327 6.312 748 HB3 LEU 96 HB3 LEU 96 0.187 -18.861 5.497 749 HG LEU 96 HG LEU 96 1.255 -19.594 7.863 750 HD11 LEU 96 HD11 LEU 96 0.100 -18.582 9.772 751 HD12 LEU 96 HD12 LEU 96 -0.632 -17.378 8.709 752 HD13 LEU 96 HD13 LEU 96 1.115 -17.402 8.947 753 HD21 LEU 96 HD21 LEU 96 -1.727 -19.364 7.421 754 HD22 LEU 96 HD22 LEU 96 -0.913 -20.463 8.542 755 HD23 LEU 96 HD23 LEU 96 -0.682 -20.646 6.806 756 H TRP 97 H TRP 97 1.829 -15.573 6.882 757 HA TRP 97 HA TRP 97 3.986 -15.844 8.897 758 HB2 TRP 97 HB2 TRP 97 2.983 -13.345 7.437 759 HB3 TRP 97 HB3 TRP 97 4.164 -13.332 8.741 760 HD1 TRP 97 HD1 TRP 97 3.952 -15.234 5.317 761 HE1 TRP 97 HE1 TRP 97 6.240 -15.043 4.197 762 HE3 TRP 97 HE3 TRP 97 6.330 -12.381 8.814 763 HZ2 TRP 97 HZ2 TRP 97 8.723 -13.828 4.687 764 HZ3 TRP 97 HZ3 TRP 97 8.667 -11.725 8.405 765 HH2 TRP 97 HH2 TRP 97 9.839 -12.433 6.377 766 H VAL 98 H VAL 98 3.219 -15.738 10.984 767 HA VAL 98 HA VAL 98 0.537 -14.594 11.471 768 HB VAL 98 HB VAL 98 2.267 -16.300 13.328 769 HG11 VAL 98 HG11 VAL 98 -0.545 -15.180 13.759 770 HG12 VAL 98 HG12 VAL 98 0.912 -14.690 14.628 771 HG13 VAL 98 HG13 VAL 98 0.272 -16.321 14.835 772 HG21 VAL 98 HG21 VAL 98 1.290 -17.623 11.492 773 HG22 VAL 98 HG22 VAL 98 -0.318 -16.996 11.868 774 HG23 VAL 98 HG23 VAL 98 0.519 -18.033 13.027 775 H VAL 99 H VAL 99 0.571 -12.491 11.951 776 HA VAL 99 HA VAL 99 2.702 -11.421 13.733 777 HB VAL 99 HB VAL 99 0.748 -9.777 12.039 778 HG11 VAL 99 HG11 VAL 99 2.303 -7.892 12.489 779 HG12 VAL 99 HG12 VAL 99 3.287 -8.947 13.507 780 HG13 VAL 99 HG13 VAL 99 1.633 -8.558 13.982 781 HG21 VAL 99 HG21 VAL 99 2.612 -9.370 10.457 782 HG22 VAL 99 HG22 VAL 99 2.185 -11.081 10.521 783 HG23 VAL 99 HG23 VAL 99 3.626 -10.502 11.358 784 H GLU 100 H GLU 100 2.000 -11.485 15.823 785 HA GLU 100 HA GLU 100 -0.856 -11.303 16.399 786 HB2 GLU 100 HB2 GLU 100 -0.240 -11.784 18.741 787 HB3 GLU 100 HB3 GLU 100 0.278 -13.024 17.612 788 HG2 GLU 100 HG2 GLU 100 2.586 -12.301 17.796 789 HG3 GLU 100 HG3 GLU 100 2.107 -10.921 18.799 790 H ILE 101 H ILE 101 -1.681 -9.370 16.391 791 HA ILE 101 HA ILE 101 -0.184 -7.057 17.469 792 HB ILE 101 HB ILE 101 -1.779 -5.592 16.292 793 HG12 ILE 101 HG12 ILE 101 -3.032 -8.086 15.046 794 HG13 ILE 101 HG13 ILE 101 -3.765 -7.189 16.360 795 HG21 ILE 101 HG21 ILE 101 0.245 -6.255 15.080 796 HG22 ILE 101 HG22 ILE 101 -1.091 -6.068 13.950 797 HG23 ILE 101 HG23 ILE 101 -0.566 -7.683 14.436 798 HD11 ILE 101 HD11 ILE 101 -3.930 -5.216 14.934 799 HD12 ILE 101 HD12 ILE 101 -4.761 -6.612 14.247 800 HD13 ILE 101 HD13 ILE 101 -3.192 -6.122 13.610 801 H GLU 102 H GLU 102 -1.253 -5.636 18.896 802 HA GLU 102 HA GLU 102 -3.594 -6.632 20.367 803 HB2 GLU 102 HB2 GLU 102 -1.615 -7.526 21.557 804 HB3 GLU 102 HB3 GLU 102 -0.890 -5.921 21.609 805 HG2 GLU 102 HG2 GLU 102 -2.824 -5.153 23.005 806 HG3 GLU 102 HG3 GLU 102 -3.414 -6.819 23.032 807 H THR 103 H THR 103 -4.935 -4.947 20.050 808 HA THR 103 HA THR 103 -4.252 -2.274 20.903 809 HB THR 103 HB THR 103 -3.196 -2.103 18.723 810 HG1 THR 103 HG1 THR 103 -5.325 -0.781 17.766 811 HG21 THR 103 HG21 THR 103 -4.340 -2.572 16.603 812 HG22 THR 103 HG22 THR 103 -5.771 -3.106 17.475 813 HG23 THR 103 HG23 THR 103 -4.273 -4.025 17.609 814 H ASP 104 H ASP 104 -6.106 -0.828 20.747 815 HA ASP 104 HA ASP 104 -8.541 -2.146 21.511 816 HB2 ASP 104 HB2 ASP 104 -7.751 -0.052 22.594 817 HB3 ASP 104 HB3 ASP 104 -7.921 0.811 21.069 818 H GLU 105 H GLU 105 -7.482 -0.174 18.743 819 HA GLU 105 HA GLU 105 -9.941 -0.913 17.268 820 HB2 GLU 105 HB2 GLU 105 -9.799 1.250 16.099 821 HB3 GLU 105 HB3 GLU 105 -9.967 1.476 17.836 822 HG2 GLU 105 HG2 GLU 105 -7.534 1.946 17.993 823 HG3 GLU 105 HG3 GLU 105 -7.394 1.739 16.249 824 H ILE 106 H ILE 106 -9.723 -1.566 15.163 825 HA ILE 106 HA ILE 106 -7.030 -2.376 14.294 826 HB ILE 106 HB ILE 106 -8.830 -4.111 14.384 827 HG12 ILE 106 HG12 ILE 106 -8.442 -5.066 12.074 828 HG13 ILE 106 HG13 ILE 106 -7.721 -3.530 11.592 829 HG21 ILE 106 HG21 ILE 106 -10.647 -4.163 12.707 830 HG22 ILE 106 HG22 ILE 106 -10.174 -2.557 12.145 831 HG23 ILE 106 HG23 ILE 106 -10.790 -2.771 13.784 832 HD11 ILE 106 HD11 ILE 106 -6.701 -5.329 13.786 833 HD12 ILE 106 HD12 ILE 106 -5.953 -3.837 13.204 834 HD13 ILE 106 HD13 ILE 106 -6.076 -5.232 12.141 835 H GLY 107 H GLY 107 -9.745 -0.334 13.349 836 HA2 GLY 107 HA2 GLY 107 -8.866 0.138 10.630 837 HA3 GLY 107 HA3 GLY 107 -10.225 0.895 11.460 838 H THR 108 H THR 108 -6.751 0.859 11.208 839 HA THR 108 HA THR 108 -6.233 3.557 10.919 840 HB THR 108 HB THR 108 -7.005 3.883 13.258 841 HG1 THR 108 HG1 THR 108 -5.186 5.111 12.410 842 HG21 THR 108 HG21 THR 108 -5.765 2.959 15.179 843 HG22 THR 108 HG22 THR 108 -4.758 2.006 14.087 844 HG23 THR 108 HG23 THR 108 -6.486 1.667 14.216 845 H LEU 109 H LEU 109 -5.270 0.373 11.974 846 HA LEU 109 HA LEU 109 -2.471 0.837 11.142 847 HB2 LEU 109 HB2 LEU 109 -1.904 -0.862 13.008 848 HB3 LEU 109 HB3 LEU 109 -2.291 0.784 13.458 849 HG LEU 109 HG LEU 109 -4.731 -0.156 13.851 850 HD11 LEU 109 HD11 LEU 109 -3.184 -2.735 14.152 851 HD12 LEU 109 HD12 LEU 109 -4.393 -2.386 12.911 852 HD13 LEU 109 HD13 LEU 109 -4.867 -2.453 14.607 853 HD21 LEU 109 HD21 LEU 109 -2.505 -0.785 15.803 854 HD22 LEU 109 HD22 LEU 109 -4.220 -0.606 16.186 855 HD23 LEU 109 HD23 LEU 109 -3.302 0.778 15.602 856 H LEU 110 H LEU 110 -5.249 -0.930 10.486 857 HA LEU 110 HA LEU 110 -3.794 -2.501 8.542 858 HB2 LEU 110 HB2 LEU 110 -3.724 -4.010 10.509 859 HB3 LEU 110 HB3 LEU 110 -5.468 -3.898 10.670 860 HG LEU 110 HG LEU 110 -5.770 -5.093 8.526 861 HD11 LEU 110 HD11 LEU 110 -3.788 -4.371 7.317 862 HD12 LEU 110 HD12 LEU 110 -3.889 -6.128 7.340 863 HD13 LEU 110 HD13 LEU 110 -2.752 -5.299 8.405 864 HD21 LEU 110 HD21 LEU 110 -5.668 -6.408 10.598 865 HD22 LEU 110 HD22 LEU 110 -3.921 -6.593 10.410 866 HD23 LEU 110 HD23 LEU 110 -5.022 -7.316 9.232 867 H THR 111 H THR 111 -5.055 -2.937 6.770 868 HA THR 111 HA THR 111 -7.733 -1.680 6.724 869 HB THR 111 HB THR 111 -5.830 -2.131 4.379 870 HG1 THR 111 HG1 THR 111 -6.052 -0.079 6.260 871 HG21 THR 111 HG21 THR 111 -7.311 -0.503 3.218 872 HG22 THR 111 HG22 THR 111 -8.371 -0.471 4.632 873 HG23 THR 111 HG23 THR 111 -8.193 -1.958 3.696 874 H LEU 112 H LEU 112 -9.455 -2.915 6.304 875 HA LEU 112 HA LEU 112 -9.140 -5.688 5.267 876 HB2 LEU 112 HB2 LEU 112 -11.085 -4.759 7.421 877 HB3 LEU 112 HB3 LEU 112 -10.808 -6.416 6.891 878 HG LEU 112 HG LEU 112 -8.586 -4.789 8.158 879 HD11 LEU 112 HD11 LEU 112 -10.575 -6.471 9.652 880 HD12 LEU 112 HD12 LEU 112 -10.380 -4.715 9.738 881 HD13 LEU 112 HD13 LEU 112 -9.094 -5.771 10.314 882 HD21 LEU 112 HD21 LEU 112 -7.612 -6.963 8.697 883 HD22 LEU 112 HD22 LEU 112 -7.885 -6.801 6.965 884 HD23 LEU 112 HD23 LEU 112 -8.983 -7.781 7.941 885 H VAL 113 H VAL 113 -11.009 -6.527 4.154 886 HA VAL 113 HA VAL 113 -12.609 -4.543 2.727 887 HB VAL 113 HB VAL 113 -13.413 -6.493 1.351 888 HG11 VAL 113 HG11 VAL 113 -11.291 -6.932 0.169 889 HG12 VAL 113 HG12 VAL 113 -10.383 -6.293 1.542 890 HG13 VAL 113 HG13 VAL 113 -11.437 -5.228 0.609 891 HG21 VAL 113 HG21 VAL 113 -12.323 -8.712 1.569 892 HG22 VAL 113 HG22 VAL 113 -13.229 -8.304 3.029 893 HG23 VAL 113 HG23 VAL 113 -11.470 -8.155 3.012 894 H ASP 114 H ASP 114 -12.942 -6.969 5.201 895 HA ASP 114 HA ASP 114 -15.804 -7.062 5.326 896 HB2 ASP 114 HB2 ASP 114 -14.516 -8.953 6.164 897 HB3 ASP 114 HB3 ASP 114 -13.602 -7.918 7.257 898 H GLN 115 H GLN 115 -13.261 -5.411 7.185 899 HA GLN 115 HA GLN 115 -15.198 -3.748 8.625 900 HB2 GLN 115 HB2 GLN 115 -12.175 -4.103 8.886 901 HB3 GLN 115 HB3 GLN 115 -13.118 -2.996 9.879 902 HG2 GLN 115 HG2 GLN 115 -13.476 -6.016 9.802 903 HG3 GLN 115 HG3 GLN 115 -12.594 -5.116 11.037 904 HE21 GLN 115 HE21 GLN 115 -15.757 -5.898 9.782 905 HE22 GLN 115 HE22 GLN 115 -16.657 -5.303 11.131 906 HA PRO 116 HA PRO 116 -14.382 0.111 6.271 907 HB2 PRO 116 HB2 PRO 116 -13.593 1.293 8.943 908 HB3 PRO 116 HB3 PRO 116 -14.707 1.923 7.719 909 HG2 PRO 116 HG2 PRO 116 -15.665 0.787 9.930 910 HG3 PRO 116 HG3 PRO 116 -16.441 0.475 8.362 911 HD2 PRO 116 HD2 PRO 116 -14.594 -1.306 9.949 912 HD3 PRO 116 HD3 PRO 116 -16.031 -1.727 8.993 913 H GLN 117 H GLN 117 -12.660 1.831 6.015 914 HA GLN 117 HA GLN 117 -10.028 0.710 5.717 915 HB2 GLN 117 HB2 GLN 117 -10.857 3.646 5.497 916 HB3 GLN 117 HB3 GLN 117 -9.416 2.901 4.806 917 HG2 GLN 117 HG2 GLN 117 -10.766 1.657 3.218 918 HG3 GLN 117 HG3 GLN 117 -12.252 2.223 3.976 919 HE21 GLN 117 HE21 GLN 117 -11.307 4.992 4.312 920 HE22 GLN 117 HE22 GLN 117 -11.326 5.685 2.734 921 H ALA 118 H ALA 118 -11.367 3.407 7.596 922 HA ALA 118 HA ALA 118 -9.684 2.984 9.886 923 HB1 ALA 118 HB1 ALA 118 -8.063 4.121 8.398 924 HB2 ALA 118 HB2 ALA 118 -8.481 5.142 9.775 925 HB3 ALA 118 HB3 ALA 118 -9.188 5.467 8.190 Start of MODEL 13 1 H MET 1 H MET 1 0.880 -0.525 -0.228 2 HA MET 1 HA MET 1 3.253 0.218 -1.820 3 HB2 MET 1 HB2 MET 1 4.520 -0.414 0.298 4 HB3 MET 1 HB3 MET 1 3.560 1.050 0.426 5 HG2 MET 1 HG2 MET 1 1.827 -0.172 1.665 6 HG3 MET 1 HG3 MET 1 2.744 -1.666 1.489 7 HE1 MET 1 HE1 MET 1 4.186 1.921 4.034 8 HE2 MET 1 HE2 MET 1 2.636 1.898 3.191 9 HE3 MET 1 HE3 MET 1 4.141 1.960 2.273 10 H ARG 2 H ARG 2 3.319 -1.448 -3.322 11 HA ARG 2 HA ARG 2 2.847 -4.202 -2.601 12 HB2 ARG 2 HB2 ARG 2 2.380 -3.297 -4.897 13 HB3 ARG 2 HB3 ARG 2 4.116 -3.118 -5.148 14 HG2 ARG 2 HG2 ARG 2 4.387 -5.584 -4.834 15 HG3 ARG 2 HG3 ARG 2 2.635 -5.731 -4.650 16 HD2 ARG 2 HD2 ARG 2 2.356 -4.833 -6.966 17 HD3 ARG 2 HD3 ARG 2 4.118 -4.793 -7.140 18 HE ARG 2 HE ARG 2 2.419 -7.204 -6.902 19 HH11 ARG 2 HH11 ARG 2 5.548 -5.815 -7.739 20 HH12 ARG 2 HH12 ARG 2 6.156 -7.301 -8.389 21 HH21 ARG 2 HH21 ARG 2 3.224 -9.126 -7.774 22 HH22 ARG 2 HH22 ARG 2 4.832 -9.180 -8.420 23 H LEU 3 H LEU 3 4.227 -5.021 -1.195 24 HA LEU 3 HA LEU 3 7.085 -5.226 -1.838 25 HB2 LEU 3 HB2 LEU 3 7.325 -4.973 0.865 26 HB3 LEU 3 HB3 LEU 3 7.518 -3.635 -0.246 27 HG LEU 3 HG LEU 3 5.122 -2.980 0.187 28 HD11 LEU 3 HD11 LEU 3 4.202 -5.100 0.882 29 HD12 LEU 3 HD12 LEU 3 3.958 -3.889 2.140 30 HD13 LEU 3 HD13 LEU 3 5.224 -5.108 2.322 31 HD21 LEU 3 HD21 LEU 3 6.827 -3.055 2.695 32 HD22 LEU 3 HD22 LEU 3 5.503 -1.940 2.349 33 HD23 LEU 3 HD23 LEU 3 6.980 -1.874 1.392 34 H LYS 4 H LYS 4 8.094 -6.896 -0.123 35 HA LYS 4 HA LYS 4 6.684 -9.342 -0.656 36 HB2 LYS 4 HB2 LYS 4 8.634 -10.480 -0.034 37 HB3 LYS 4 HB3 LYS 4 9.275 -8.955 -0.614 38 HG2 LYS 4 HG2 LYS 4 9.616 -8.193 1.687 39 HG3 LYS 4 HG3 LYS 4 8.843 -9.650 2.307 40 HD2 LYS 4 HD2 LYS 4 11.145 -10.085 2.561 41 HD3 LYS 4 HD3 LYS 4 10.698 -10.977 1.106 42 HE2 LYS 4 HE2 LYS 4 12.808 -9.882 0.715 43 HE3 LYS 4 HE3 LYS 4 11.588 -9.049 -0.251 44 HZ1 LYS 4 HZ1 LYS 4 12.550 -8.130 2.409 45 HZ2 LYS 4 HZ2 LYS 4 11.505 -7.295 1.367 46 HZ3 LYS 4 HZ3 LYS 4 13.118 -7.543 0.926 47 H SER 5 H SER 5 6.509 -11.038 1.165 48 HA SER 5 HA SER 5 4.475 -10.303 2.947 49 HB2 SER 5 HB2 SER 5 6.294 -12.748 3.075 50 HB3 SER 5 HB3 SER 5 4.686 -12.609 3.786 51 HG SER 5 HG SER 5 5.383 -13.244 1.277 52 H GLU 6 H GLU 6 7.900 -10.945 3.551 53 HA GLU 6 HA GLU 6 7.991 -10.554 6.348 54 HB2 GLU 6 HB2 GLU 6 9.734 -11.769 5.269 55 HB3 GLU 6 HB3 GLU 6 10.043 -10.497 4.109 56 HG2 GLU 6 HG2 GLU 6 10.616 -10.001 7.024 57 HG3 GLU 6 HG3 GLU 6 11.719 -11.008 6.092 58 H MET 7 H MET 7 8.385 -8.329 3.637 59 HA MET 7 HA MET 7 9.112 -6.067 5.275 60 HB2 MET 7 HB2 MET 7 9.880 -6.374 2.897 61 HB3 MET 7 HB3 MET 7 8.233 -6.091 2.356 62 HG2 MET 7 HG2 MET 7 9.498 -4.083 2.036 63 HG3 MET 7 HG3 MET 7 8.373 -3.791 3.356 64 HE1 MET 7 HE1 MET 7 10.624 -3.005 6.341 65 HE2 MET 7 HE2 MET 7 9.389 -4.238 6.077 66 HE3 MET 7 HE3 MET 7 9.136 -2.594 5.492 67 H PHE 8 H PHE 8 6.126 -7.528 4.196 68 HA PHE 8 HA PHE 8 4.470 -5.184 4.498 69 HB2 PHE 8 HB2 PHE 8 3.857 -7.125 2.976 70 HB3 PHE 8 HB3 PHE 8 3.525 -8.092 4.406 71 HD1 PHE 8 HD2 PHE 8 1.517 -7.566 5.832 72 HD2 PHE 8 HD1 PHE 8 2.319 -5.348 2.266 73 HE1 PHE 8 HE2 PHE 8 -0.753 -6.615 5.899 74 HE2 PHE 8 HE1 PHE 8 0.057 -4.403 2.346 75 HZ PHE 8 HZ PHE 8 -1.483 -5.031 4.160 76 H VAL 9 H VAL 9 5.208 -8.089 6.456 77 HA VAL 9 HA VAL 9 3.474 -7.446 8.624 78 HB VAL 9 HB VAL 9 4.721 -9.092 9.979 79 HG11 VAL 9 HG11 VAL 9 2.986 -9.909 8.474 80 HG12 VAL 9 HG12 VAL 9 4.285 -11.092 8.621 81 HG13 VAL 9 HG13 VAL 9 4.168 -10.085 7.174 82 HG21 VAL 9 HG21 VAL 9 6.649 -9.359 7.657 83 HG22 VAL 9 HG22 VAL 9 6.624 -10.370 9.106 84 HG23 VAL 9 HG23 VAL 9 7.018 -8.657 9.232 85 H SER 10 H SER 10 6.900 -6.779 7.982 86 HA SER 10 HA SER 10 7.553 -5.529 10.424 87 HB2 SER 10 HB2 SER 10 9.236 -6.302 8.741 88 HB3 SER 10 HB3 SER 10 8.735 -5.004 7.661 89 HG SER 10 HG SER 10 9.533 -3.511 9.118 90 H ALA 11 H ALA 11 6.468 -4.166 7.308 91 HA ALA 11 HA ALA 11 6.308 -1.453 8.045 92 HB1 ALA 11 HB1 ALA 11 4.623 -2.921 5.983 93 HB2 ALA 11 HB2 ALA 11 6.207 -2.202 5.697 94 HB3 ALA 11 HB3 ALA 11 4.837 -1.167 6.093 95 H LEU 12 H LEU 12 4.018 -4.107 8.423 96 HA LEU 12 HA LEU 12 1.687 -2.635 9.049 97 HB2 LEU 12 HB2 LEU 12 2.024 -5.142 8.347 98 HB3 LEU 12 HB3 LEU 12 2.182 -5.442 10.065 99 HG LEU 12 HG LEU 12 -0.281 -4.130 8.847 100 HD11 LEU 12 HD11 LEU 12 -0.003 -6.316 7.794 101 HD12 LEU 12 HD12 LEU 12 -1.388 -6.315 8.883 102 HD13 LEU 12 HD13 LEU 12 0.124 -7.084 9.379 103 HD21 LEU 12 HD21 LEU 12 0.064 -5.548 11.506 104 HD22 LEU 12 HD22 LEU 12 -1.432 -4.834 10.891 105 HD23 LEU 12 HD23 LEU 12 -0.054 -3.803 11.274 106 H ILE 13 H ILE 13 4.242 -4.002 10.995 107 HA ILE 13 HA ILE 13 3.217 -3.448 13.564 108 HB ILE 13 HB ILE 13 6.062 -3.820 12.536 109 HG12 ILE 13 HG12 ILE 13 4.296 -5.774 14.087 110 HG13 ILE 13 HG13 ILE 13 4.332 -5.722 12.335 111 HG21 ILE 13 HG21 ILE 13 5.155 -3.760 15.440 112 HG22 ILE 13 HG22 ILE 13 6.213 -2.587 14.650 113 HG23 ILE 13 HG23 ILE 13 6.755 -4.248 14.876 114 HD11 ILE 13 HD11 ILE 13 6.676 -6.332 12.366 115 HD12 ILE 13 HD12 ILE 13 5.650 -7.508 13.191 116 HD13 ILE 13 HD13 ILE 13 6.640 -6.388 14.134 117 H ARG 14 H ARG 14 5.246 -1.515 11.349 118 HA ARG 14 HA ARG 14 5.558 0.687 13.193 119 HB2 ARG 14 HB2 ARG 14 6.224 0.387 10.246 120 HB3 ARG 14 HB3 ARG 14 6.362 1.941 11.051 121 HG2 ARG 14 HG2 ARG 14 8.547 0.846 10.955 122 HG3 ARG 14 HG3 ARG 14 8.017 1.001 12.633 123 HD2 ARG 14 HD2 ARG 14 7.254 -1.371 12.566 124 HD3 ARG 14 HD3 ARG 14 7.878 -1.494 10.920 125 HE ARG 14 HE ARG 14 9.938 -0.666 12.665 126 HH11 ARG 14 HH11 ARG 14 8.043 -3.516 11.852 127 HH12 ARG 14 HH12 ARG 14 9.259 -4.627 12.389 128 HH21 ARG 14 HH21 ARG 14 11.522 -2.152 13.379 129 HH22 ARG 14 HH22 ARG 14 11.233 -3.855 13.245 130 H ARG 15 H ARG 15 3.148 -0.207 10.800 131 HA ARG 15 HA ARG 15 1.733 2.242 10.622 132 HB2 ARG 15 HB2 ARG 15 0.664 -0.613 10.451 133 HB3 ARG 15 HB3 ARG 15 -0.265 0.822 10.027 134 HG2 ARG 15 HG2 ARG 15 1.260 1.290 8.169 135 HG3 ARG 15 HG3 ARG 15 2.269 -0.080 8.621 136 HD2 ARG 15 HD2 ARG 15 0.285 -1.598 8.227 137 HD3 ARG 15 HD3 ARG 15 -0.600 -0.199 7.614 138 HE ARG 15 HE ARG 15 1.252 -0.023 5.905 139 HH11 ARG 15 HH11 ARG 15 0.379 -3.139 7.286 140 HH12 ARG 15 HH12 ARG 15 0.897 -4.033 5.898 141 HH21 ARG 15 HH21 ARG 15 1.913 -1.208 4.090 142 HH22 ARG 15 HH22 ARG 15 1.763 -2.935 4.079 143 H VAL 16 H VAL 16 1.389 -0.548 12.875 144 HA VAL 16 HA VAL 16 -0.896 0.538 14.198 145 HB VAL 16 HB VAL 16 -0.841 -1.261 15.761 146 HG11 VAL 16 HG11 VAL 16 -1.519 -1.942 13.512 147 HG12 VAL 16 HG12 VAL 16 -0.729 -3.272 14.354 148 HG13 VAL 16 HG13 VAL 16 0.142 -2.369 13.110 149 HG21 VAL 16 HG21 VAL 16 1.541 -1.142 16.407 150 HG22 VAL 16 HG22 VAL 16 1.981 -1.949 14.900 151 HG23 VAL 16 HG23 VAL 16 1.003 -2.793 16.104 152 H PHE 17 H PHE 17 2.577 0.539 14.979 153 HA PHE 17 HA PHE 17 2.301 1.835 17.508 154 HB2 PHE 17 HB2 PHE 17 4.672 1.297 15.695 155 HB3 PHE 17 HB3 PHE 17 4.853 2.332 17.108 156 HD1 PHE 17 HD2 PHE 17 4.555 1.392 19.400 157 HD2 PHE 17 HD1 PHE 17 4.440 -1.138 15.964 158 HE1 PHE 17 HE2 PHE 17 4.836 -0.587 20.834 159 HE2 PHE 17 HE1 PHE 17 4.712 -3.112 17.404 160 HZ PHE 17 HZ PHE 17 4.910 -2.839 19.840 161 H ALA 18 H ALA 18 2.585 3.011 14.192 162 HA ALA 18 HA ALA 18 2.855 5.790 14.779 163 HB1 ALA 18 HB1 ALA 18 2.083 6.170 12.471 164 HB2 ALA 18 HB2 ALA 18 1.550 4.488 12.360 165 HB3 ALA 18 HB3 ALA 18 3.265 4.861 12.530 166 H ALA 19 H ALA 19 0.108 3.596 14.835 167 HA ALA 19 HA ALA 19 -1.848 5.759 15.283 168 HB1 ALA 19 HB1 ALA 19 -3.539 3.967 15.224 169 HB2 ALA 19 HB2 ALA 19 -2.261 2.750 15.123 170 HB3 ALA 19 HB3 ALA 19 -2.493 3.899 13.804 171 H GLY 20 H GLY 20 0.230 3.792 17.141 172 HA2 GLY 20 HA2 GLY 20 0.637 4.235 19.430 173 HA3 GLY 20 HA3 GLY 20 -1.035 4.718 19.645 174 H GLY 21 H GLY 21 -1.001 1.859 17.910 175 HA2 GLY 21 HA2 GLY 21 -1.608 0.193 20.222 176 HA3 GLY 21 HA3 GLY 21 -1.834 -0.230 18.534 177 H PHE 22 H PHE 22 -0.910 -2.275 19.546 178 HA PHE 22 HA PHE 22 2.063 -2.308 19.686 179 HB2 PHE 22 HB2 PHE 22 1.000 -2.908 21.844 180 HB3 PHE 22 HB3 PHE 22 0.034 -4.148 21.055 181 HD1 PHE 22 HD1 PHE 22 3.556 -3.197 21.901 182 HD2 PHE 22 HD2 PHE 22 0.912 -6.372 20.799 183 HE1 PHE 22 HE1 PHE 22 5.342 -4.836 22.308 184 HE2 PHE 22 HE2 PHE 22 2.707 -8.007 21.212 185 HZ PHE 22 HZ PHE 22 4.923 -7.238 21.965 186 H ALA 23 H ALA 23 3.112 -4.247 18.792 187 HA ALA 23 HA ALA 23 1.603 -6.212 17.324 188 HB1 ALA 23 HB1 ALA 23 3.371 -4.300 15.768 189 HB2 ALA 23 HB2 ALA 23 1.624 -4.488 15.613 190 HB3 ALA 23 HB3 ALA 23 2.690 -5.802 15.127 191 H ALA 24 H ALA 24 2.855 -7.992 16.600 192 HA ALA 24 HA ALA 24 5.700 -8.166 16.882 193 HB1 ALA 24 HB1 ALA 24 5.765 -9.768 18.759 194 HB2 ALA 24 HB2 ALA 24 4.024 -9.581 18.995 195 HB3 ALA 24 HB3 ALA 24 5.106 -8.212 19.275 196 H VAL 25 H VAL 25 6.266 -9.602 15.319 197 HA VAL 25 HA VAL 25 4.441 -11.354 14.021 198 HB VAL 25 HB VAL 25 7.492 -11.342 13.843 199 HG11 VAL 25 HG11 VAL 25 5.470 -12.576 11.931 200 HG12 VAL 25 HG12 VAL 25 6.581 -13.457 12.984 201 HG13 VAL 25 HG13 VAL 25 7.212 -12.476 11.660 202 HG21 VAL 25 HG21 VAL 25 5.470 -9.924 12.070 203 HG22 VAL 25 HG22 VAL 25 7.214 -9.989 11.796 204 HG23 VAL 25 HG23 VAL 25 6.575 -9.157 13.214 205 H GLU 26 H GLU 26 3.608 -12.970 15.246 206 HA GLU 26 HA GLU 26 4.900 -14.595 17.171 207 HB2 GLU 26 HB2 GLU 26 2.503 -15.300 15.416 208 HB3 GLU 26 HB3 GLU 26 2.937 -16.059 16.949 209 HG2 GLU 26 HG2 GLU 26 2.405 -14.030 18.162 210 HG3 GLU 26 HG3 GLU 26 2.152 -13.146 16.651 211 H LYS 27 H LYS 27 3.783 -15.507 13.900 212 HA LYS 27 HA LYS 27 5.811 -17.659 13.765 213 HB2 LYS 27 HB2 LYS 27 3.531 -18.514 13.740 214 HB3 LYS 27 HB3 LYS 27 3.070 -17.400 12.464 215 HG2 LYS 27 HG2 LYS 27 4.526 -18.579 10.874 216 HG3 LYS 27 HG3 LYS 27 5.062 -19.661 12.157 217 HD2 LYS 27 HD2 LYS 27 2.835 -20.626 12.354 218 HD3 LYS 27 HD3 LYS 27 2.179 -19.445 11.215 219 HE2 LYS 27 HE2 LYS 27 2.519 -21.667 10.177 220 HE3 LYS 27 HE3 LYS 27 3.488 -20.421 9.398 221 HZ1 LYS 27 HZ1 LYS 27 5.416 -21.211 10.626 222 HZ2 LYS 27 HZ2 LYS 27 4.728 -22.460 9.715 223 HZ3 LYS 27 HZ3 LYS 27 4.476 -22.393 11.385 224 H LYS 28 H LYS 28 7.014 -17.916 11.961 225 HA LYS 28 HA LYS 28 7.038 -15.781 9.918 226 HB2 LYS 28 HB2 LYS 28 8.993 -15.668 11.402 227 HB3 LYS 28 HB3 LYS 28 9.328 -17.379 11.155 228 HG2 LYS 28 HG2 LYS 28 9.882 -16.952 8.799 229 HG3 LYS 28 HG3 LYS 28 9.479 -15.244 9.001 230 HD2 LYS 28 HD2 LYS 28 11.304 -15.017 10.666 231 HD3 LYS 28 HD3 LYS 28 11.714 -16.723 10.449 232 HE2 LYS 28 HE2 LYS 28 12.327 -16.282 8.099 233 HE3 LYS 28 HE3 LYS 28 11.863 -14.587 8.282 234 HZ1 LYS 28 HZ1 LYS 28 14.227 -14.813 8.503 235 HZ2 LYS 28 HZ2 LYS 28 14.060 -15.980 9.715 236 HZ3 LYS 28 HZ3 LYS 28 13.579 -14.386 10.006 237 H GLY 29 H GLY 29 6.683 -16.493 7.893 238 HA2 GLY 29 HA2 GLY 29 7.233 -19.330 7.161 239 HA3 GLY 29 HA3 GLY 29 5.917 -18.372 6.493 240 H ALA 30 H ALA 30 6.523 -18.317 4.344 241 HA ALA 30 HA ALA 30 9.241 -17.896 3.477 242 HB1 ALA 30 HB1 ALA 30 7.684 -19.329 2.205 243 HB2 ALA 30 HB2 ALA 30 8.294 -18.014 1.205 244 HB3 ALA 30 HB3 ALA 30 6.657 -17.935 1.861 245 H GLU 31 H GLU 31 10.215 -15.980 3.004 246 HA GLU 31 HA GLU 31 9.159 -13.561 3.962 247 HB2 GLU 31 HB2 GLU 31 11.555 -14.057 2.166 248 HB3 GLU 31 HB3 GLU 31 11.179 -12.490 2.879 249 HG2 GLU 31 HG2 GLU 31 11.390 -13.498 5.144 250 HG3 GLU 31 HG3 GLU 31 11.849 -15.031 4.392 251 H ALA 32 H ALA 32 9.570 -14.612 0.573 252 HA ALA 32 HA ALA 32 8.440 -12.141 -0.463 253 HB1 ALA 32 HB1 ALA 32 8.938 -13.043 -2.679 254 HB2 ALA 32 HB2 ALA 32 9.340 -14.609 -1.969 255 HB3 ALA 32 HB3 ALA 32 10.342 -13.201 -1.617 256 H ALA 33 H ALA 33 7.566 -15.613 -0.768 257 HA ALA 33 HA ALA 33 5.054 -14.853 -2.094 258 HB1 ALA 33 HB1 ALA 33 6.371 -17.579 -1.850 259 HB2 ALA 33 HB2 ALA 33 6.560 -16.459 -3.200 260 HB3 ALA 33 HB3 ALA 33 4.982 -17.171 -2.866 261 H GLY 34 H GLY 34 5.848 -15.374 1.054 262 HA2 GLY 34 HA2 GLY 34 4.032 -17.331 1.986 263 HA3 GLY 34 HA3 GLY 34 4.781 -16.070 2.952 264 H ALA 35 H ALA 35 2.018 -17.179 3.035 265 HA ALA 35 HA ALA 35 0.293 -14.902 2.457 266 HB1 ALA 35 HB1 ALA 35 -0.640 -17.184 2.462 267 HB2 ALA 35 HB2 ALA 35 -1.425 -16.192 3.691 268 HB3 ALA 35 HB3 ALA 35 -0.202 -17.375 4.162 269 H ILE 36 H ILE 36 -0.920 -13.841 4.354 270 HA ILE 36 HA ILE 36 0.711 -13.614 6.816 271 HB ILE 36 HB ILE 36 -0.540 -11.171 5.486 272 HG12 ILE 36 HG12 ILE 36 1.339 -11.903 4.057 273 HG13 ILE 36 HG13 ILE 36 1.706 -10.379 4.857 274 HG21 ILE 36 HG21 ILE 36 -0.338 -11.009 7.920 275 HG22 ILE 36 HG22 ILE 36 0.772 -9.880 7.143 276 HG23 ILE 36 HG23 ILE 36 1.386 -11.390 7.828 277 HD11 ILE 36 HD11 ILE 36 2.808 -13.107 5.458 278 HD12 ILE 36 HD12 ILE 36 2.990 -11.745 6.559 279 HD13 ILE 36 HD13 ILE 36 3.657 -11.655 4.939 280 H PHE 37 H PHE 37 -0.657 -14.378 8.338 281 HA PHE 37 HA PHE 37 -3.443 -13.383 8.413 282 HB2 PHE 37 HB2 PHE 37 -2.214 -15.932 9.535 283 HB3 PHE 37 HB3 PHE 37 -3.779 -15.328 10.078 284 HD1 PHE 37 HD1 PHE 37 -1.967 -16.261 6.920 285 HD2 PHE 37 HD2 PHE 37 -5.738 -15.973 8.928 286 HE1 PHE 37 HE1 PHE 37 -3.075 -17.314 4.997 287 HE2 PHE 37 HE2 PHE 37 -6.832 -17.028 6.997 288 HZ PHE 37 HZ PHE 37 -5.505 -17.699 5.034 289 H VAL 38 H VAL 38 -3.645 -11.740 9.726 290 HA VAL 38 HA VAL 38 -1.864 -11.394 12.070 291 HB VAL 38 HB VAL 38 -3.449 -9.329 10.443 292 HG11 VAL 38 HG11 VAL 38 -1.606 -8.832 12.816 293 HG12 VAL 38 HG12 VAL 38 -3.363 -8.644 12.816 294 HG13 VAL 38 HG13 VAL 38 -2.363 -7.586 11.818 295 HG21 VAL 38 HG21 VAL 38 -1.258 -8.477 9.745 296 HG22 VAL 38 HG22 VAL 38 -1.426 -10.171 9.288 297 HG23 VAL 38 HG23 VAL 38 -0.444 -9.723 10.688 298 H ARG 39 H ARG 39 -2.829 -11.164 14.077 299 HA ARG 39 HA ARG 39 -5.783 -11.294 14.214 300 HB2 ARG 39 HB2 ARG 39 -5.610 -12.296 16.370 301 HB3 ARG 39 HB3 ARG 39 -4.373 -13.112 15.424 302 HG2 ARG 39 HG2 ARG 39 -2.627 -11.764 16.465 303 HG3 ARG 39 HG3 ARG 39 -3.833 -10.807 17.320 304 HD2 ARG 39 HD2 ARG 39 -2.949 -12.331 18.898 305 HD3 ARG 39 HD3 ARG 39 -4.560 -12.926 18.485 306 HE ARG 39 HE ARG 39 -2.318 -14.070 17.008 307 HH11 ARG 39 HH11 ARG 39 -4.706 -14.478 19.531 308 HH12 ARG 39 HH12 ARG 39 -4.299 -16.144 19.799 309 HH21 ARG 39 HH21 ARG 39 -1.818 -16.253 17.340 310 HH22 ARG 39 HH22 ARG 39 -2.678 -17.151 18.553 311 H GLN 40 H GLN 40 -6.806 -9.499 14.918 312 HA GLN 40 HA GLN 40 -5.412 -7.274 16.182 313 HB2 GLN 40 HB2 GLN 40 -7.301 -6.731 14.712 314 HB3 GLN 40 HB3 GLN 40 -8.363 -7.801 15.621 315 HG2 GLN 40 HG2 GLN 40 -8.167 -6.328 17.583 316 HG3 GLN 40 HG3 GLN 40 -7.108 -5.254 16.674 317 HE21 GLN 40 HE21 GLN 40 -8.513 -3.593 17.067 318 HE22 GLN 40 HE22 GLN 40 -9.991 -3.391 16.203 319 H ARG 41 H ARG 41 -5.531 -6.822 18.405 320 HA ARG 41 HA ARG 41 -7.138 -8.652 20.088 321 HB2 ARG 41 HB2 ARG 41 -4.569 -8.859 20.272 322 HB3 ARG 41 HB3 ARG 41 -4.608 -7.255 21.003 323 HG2 ARG 41 HG2 ARG 41 -6.073 -8.110 22.811 324 HG3 ARG 41 HG3 ARG 41 -6.075 -9.706 22.063 325 HD2 ARG 41 HD2 ARG 41 -4.517 -9.904 23.808 326 HD3 ARG 41 HD3 ARG 41 -3.505 -9.648 22.384 327 HE ARG 41 HE ARG 41 -4.110 -7.179 23.691 328 HH11 ARG 41 HH11 ARG 41 -2.009 -9.992 23.964 329 HH12 ARG 41 HH12 ARG 41 -0.846 -9.161 24.941 330 HH21 ARG 41 HH21 ARG 41 -2.595 -6.141 25.003 331 HH22 ARG 41 HH22 ARG 41 -1.170 -6.985 25.521 332 H LEU 42 H LEU 42 -8.579 -7.693 21.262 333 HA LEU 42 HA LEU 42 -8.526 -4.836 21.920 334 HB2 LEU 42 HB2 LEU 42 -10.669 -6.981 22.324 335 HB3 LEU 42 HB3 LEU 42 -10.830 -5.324 22.873 336 HG LEU 42 HG LEU 42 -12.128 -5.534 20.884 337 HD11 LEU 42 HD11 LEU 42 -10.883 -3.448 21.070 338 HD12 LEU 42 HD12 LEU 42 -11.151 -3.891 19.386 339 HD13 LEU 42 HD13 LEU 42 -9.562 -4.134 20.119 340 HD21 LEU 42 HD21 LEU 42 -11.293 -6.317 18.717 341 HD22 LEU 42 HD22 LEU 42 -11.170 -7.578 19.942 342 HD23 LEU 42 HD23 LEU 42 -9.726 -6.697 19.440 343 H ARG 43 H ARG 43 -8.244 -4.160 23.992 344 HA ARG 43 HA ARG 43 -6.976 -5.738 25.946 345 HB2 ARG 43 HB2 ARG 43 -7.029 -3.806 27.335 346 HB3 ARG 43 HB3 ARG 43 -6.883 -3.202 25.694 347 HG2 ARG 43 HG2 ARG 43 -9.401 -3.224 27.386 348 HG3 ARG 43 HG3 ARG 43 -8.402 -1.822 27.028 349 HD2 ARG 43 HD2 ARG 43 -10.030 -3.414 25.018 350 HD3 ARG 43 HD3 ARG 43 -10.480 -1.848 25.703 351 HE ARG 43 HE ARG 43 -7.959 -1.622 24.445 352 HH11 ARG 43 HH11 ARG 43 -11.327 -2.152 23.536 353 HH12 ARG 43 HH12 ARG 43 -11.168 -1.309 22.031 354 HH21 ARG 43 HH21 ARG 43 -7.773 -0.555 22.469 355 HH22 ARG 43 HH22 ARG 43 -9.147 -0.398 21.431 356 H ASP 44 H ASP 44 -10.277 -5.475 25.140 357 HA ASP 44 HA ASP 44 -11.588 -6.262 27.528 358 HB2 ASP 44 HB2 ASP 44 -12.437 -6.735 24.634 359 HB3 ASP 44 HB3 ASP 44 -13.493 -6.761 26.047 360 H GLY 45 H GLY 45 -9.529 -7.986 25.446 361 HA2 GLY 45 HA2 GLY 45 -8.768 -10.187 25.776 362 HA3 GLY 45 HA3 GLY 45 -10.268 -10.597 26.597 363 H ARG 46 H ARG 46 -11.306 -8.872 24.050 364 HA ARG 46 HA ARG 46 -11.983 -11.196 22.439 365 HB2 ARG 46 HB2 ARG 46 -12.614 -8.341 21.630 366 HB3 ARG 46 HB3 ARG 46 -13.496 -9.814 21.266 367 HG2 ARG 46 HG2 ARG 46 -13.373 -8.408 23.949 368 HG3 ARG 46 HG3 ARG 46 -14.747 -8.453 22.842 369 HD2 ARG 46 HD2 ARG 46 -14.926 -10.885 23.167 370 HD3 ARG 46 HD3 ARG 46 -13.538 -10.851 24.263 371 HE ARG 46 HE ARG 46 -15.906 -9.228 24.909 372 HH11 ARG 46 HH11 ARG 46 -13.923 -12.030 25.681 373 HH12 ARG 46 HH12 ARG 46 -14.649 -12.254 27.239 374 HH21 ARG 46 HH21 ARG 46 -16.843 -9.536 26.957 375 HH22 ARG 46 HH22 ARG 46 -16.296 -10.839 27.961 376 H GLU 47 H GLU 47 -11.639 -11.065 20.031 377 HA GLU 47 HA GLU 47 -9.219 -9.706 19.139 378 HB2 GLU 47 HB2 GLU 47 -9.370 -12.735 19.532 379 HB3 GLU 47 HB3 GLU 47 -8.217 -11.997 18.422 380 HG2 GLU 47 HG2 GLU 47 -7.096 -10.851 20.223 381 HG3 GLU 47 HG3 GLU 47 -8.347 -11.326 21.374 382 H ASN 48 H ASN 48 -8.970 -9.749 16.884 383 HA ASN 48 HA ASN 48 -11.059 -11.134 15.289 384 HB2 ASN 48 HB2 ASN 48 -9.623 -8.525 14.617 385 HB3 ASN 48 HB3 ASN 48 -10.642 -9.401 13.493 386 HD21 ASN 48 HD21 ASN 48 -11.230 -8.623 16.946 387 HD22 ASN 48 HD22 ASN 48 -12.641 -7.682 16.648 388 H LEU 49 H LEU 49 -10.166 -11.537 12.989 389 HA LEU 49 HA LEU 49 -7.308 -12.201 12.931 390 HB2 LEU 49 HB2 LEU 49 -9.125 -14.176 13.559 391 HB3 LEU 49 HB3 LEU 49 -9.128 -14.312 11.818 392 HG LEU 49 HG LEU 49 -6.670 -14.575 13.598 393 HD11 LEU 49 HD11 LEU 49 -8.160 -16.431 13.942 394 HD12 LEU 49 HD12 LEU 49 -6.763 -16.975 13.023 395 HD13 LEU 49 HD13 LEU 49 -8.303 -16.702 12.207 396 HD21 LEU 49 HD21 LEU 49 -6.929 -15.027 10.604 397 HD22 LEU 49 HD22 LEU 49 -5.520 -15.458 11.580 398 HD23 LEU 49 HD23 LEU 49 -5.984 -13.770 11.407 399 H TYR 50 H TYR 50 -6.488 -12.146 10.857 400 HA TYR 50 HA TYR 50 -8.233 -11.272 8.651 401 HB2 TYR 50 HB2 TYR 50 -5.539 -9.983 9.325 402 HB3 TYR 50 HB3 TYR 50 -6.705 -9.452 8.109 403 HD1 TYR 50 HD1 TYR 50 -9.079 -8.782 8.990 404 HD2 TYR 50 HD2 TYR 50 -5.621 -8.986 11.482 405 HE1 TYR 50 HE1 TYR 50 -10.205 -7.395 10.662 406 HE2 TYR 50 HE2 TYR 50 -6.749 -7.586 13.150 407 HH TYR 50 HH TYR 50 -10.087 -6.905 13.040 408 H GLY 51 H GLY 51 -7.286 -11.621 6.558 409 HA2 GLY 51 HA2 GLY 51 -4.847 -13.217 6.311 410 HA3 GLY 51 HA3 GLY 51 -6.353 -13.994 5.815 411 HA PRO 52 HA PRO 52 -4.620 -11.073 2.451 412 HB2 PRO 52 HB2 PRO 52 -3.487 -12.839 0.702 413 HB3 PRO 52 HB3 PRO 52 -2.600 -12.150 2.067 414 HG2 PRO 52 HG2 PRO 52 -3.916 -14.844 1.820 415 HG3 PRO 52 HG3 PRO 52 -2.332 -14.436 2.513 416 HD2 PRO 52 HD2 PRO 52 -4.576 -14.873 4.040 417 HD3 PRO 52 HD3 PRO 52 -3.252 -13.803 4.550 418 H ALA 53 H ALA 53 -6.137 -10.467 1.065 419 HA ALA 53 HA ALA 53 -8.175 -12.357 0.056 420 HB1 ALA 53 HB1 ALA 53 -8.304 -9.328 0.355 421 HB2 ALA 53 HB2 ALA 53 -9.021 -10.502 1.454 422 HB3 ALA 53 HB3 ALA 53 -9.622 -10.371 -0.199 423 HA PRO 54 HA PRO 54 -7.042 -11.271 -4.283 424 HB2 PRO 54 HB2 PRO 54 -9.575 -11.021 -5.404 425 HB3 PRO 54 HB3 PRO 54 -8.765 -12.571 -5.139 426 HG2 PRO 54 HG2 PRO 54 -10.827 -11.188 -3.428 427 HG3 PRO 54 HG3 PRO 54 -10.738 -12.896 -3.910 428 HD2 PRO 54 HD2 PRO 54 -9.938 -12.108 -1.470 429 HD3 PRO 54 HD3 PRO 54 -9.057 -13.383 -2.341 430 H GLN 55 H GLN 55 -6.365 -9.309 -4.889 431 HA GLN 55 HA GLN 55 -7.417 -6.854 -3.792 432 HB2 GLN 55 HB2 GLN 55 -5.581 -5.759 -5.005 433 HB3 GLN 55 HB3 GLN 55 -4.978 -7.200 -4.188 434 HG2 GLN 55 HG2 GLN 55 -5.119 -8.446 -6.335 435 HG3 GLN 55 HG3 GLN 55 -5.650 -6.975 -7.141 436 HE21 GLN 55 HE21 GLN 55 -3.784 -5.220 -5.720 437 HE22 GLN 55 HE22 GLN 55 -2.226 -5.569 -6.372 438 H SER 56 H SER 56 -7.924 -4.979 -5.222 439 HA SER 56 HA SER 56 -9.815 -5.654 -7.324 440 HB2 SER 56 HB2 SER 56 -10.248 -3.151 -7.284 441 HB3 SER 56 HB3 SER 56 -10.497 -3.948 -5.732 442 HG SER 56 HG SER 56 -8.369 -2.293 -6.553 443 H PHE 57 H PHE 57 -8.046 -6.602 -8.700 444 HA PHE 57 HA PHE 57 -6.319 -4.660 -10.047 445 HB2 PHE 57 HB2 PHE 57 -5.318 -6.548 -11.243 446 HB3 PHE 57 HB3 PHE 57 -5.312 -6.834 -9.511 447 HD1 PHE 57 HD1 PHE 57 -6.741 -7.913 -12.746 448 HD2 PHE 57 HD2 PHE 57 -6.597 -8.664 -8.547 449 HE1 PHE 57 HE1 PHE 57 -7.743 -10.123 -13.115 450 HE2 PHE 57 HE2 PHE 57 -7.602 -10.873 -8.923 451 HZ PHE 57 HZ PHE 57 -8.181 -11.606 -11.200 452 H ALA 58 H ALA 58 -6.594 -3.887 -12.044 453 HA ALA 58 HA ALA 58 -9.074 -4.547 -13.520 454 HB1 ALA 58 HB1 ALA 58 -8.801 -2.331 -14.569 455 HB2 ALA 58 HB2 ALA 58 -7.301 -2.077 -13.666 456 HB3 ALA 58 HB3 ALA 58 -8.839 -2.201 -12.812 457 H ASP 59 H ASP 59 -8.636 -6.062 -14.987 458 HA ASP 59 HA ASP 59 -7.793 -7.263 -16.700 459 HB2 ASP 59 HB2 ASP 59 -8.179 -5.020 -17.835 460 HB3 ASP 59 HB3 ASP 59 -6.467 -4.672 -17.607 461 H ASP 60 H ASP 60 -6.364 -7.373 -14.334 462 HA ASP 60 HA ASP 60 -4.562 -8.260 -13.361 463 HB2 ASP 60 HB2 ASP 60 -4.090 -9.175 -16.214 464 HB3 ASP 60 HB3 ASP 60 -2.917 -9.562 -14.964 465 H GLU 61 H GLU 61 -4.384 -5.423 -14.461 466 HA GLU 61 HA GLU 61 -1.590 -4.880 -14.786 467 HB2 GLU 61 HB2 GLU 61 -3.867 -3.068 -13.856 468 HB3 GLU 61 HB3 GLU 61 -2.234 -2.510 -14.212 469 HG2 GLU 61 HG2 GLU 61 -4.158 -3.763 -16.199 470 HG3 GLU 61 HG3 GLU 61 -3.782 -2.048 -16.061 471 H ASP 62 H ASP 62 -3.807 -4.490 -11.977 472 HA ASP 62 HA ASP 62 -1.806 -3.504 -10.232 473 HB2 ASP 62 HB2 ASP 62 -4.518 -4.650 -9.497 474 HB3 ASP 62 HB3 ASP 62 -3.495 -3.684 -8.437 475 H ILE 63 H ILE 63 -2.320 -6.735 -11.166 476 HA ILE 63 HA ILE 63 -1.556 -8.278 -8.964 477 HB ILE 63 HB ILE 63 -0.490 -8.670 -11.811 478 HG12 ILE 63 HG12 ILE 63 -2.970 -8.445 -11.820 479 HG13 ILE 63 HG13 ILE 63 -2.452 -10.058 -12.295 480 HG21 ILE 63 HG21 ILE 63 0.652 -10.103 -10.168 481 HG22 ILE 63 HG22 ILE 63 -0.359 -11.080 -11.233 482 HG23 ILE 63 HG23 ILE 63 -0.902 -10.719 -9.592 483 HD11 ILE 63 HD11 ILE 63 -3.543 -9.258 -9.605 484 HD12 ILE 63 HD12 ILE 63 -3.014 -10.879 -10.068 485 HD13 ILE 63 HD13 ILE 63 -4.391 -10.136 -10.878 486 H MET 64 H MET 64 0.307 -6.230 -11.069 487 HA MET 64 HA MET 64 2.845 -6.659 -9.608 488 HB2 MET 64 HB2 MET 64 3.916 -6.179 -11.910 489 HB3 MET 64 HB3 MET 64 3.101 -7.727 -11.727 490 HG2 MET 64 HG2 MET 64 1.070 -6.692 -12.803 491 HG3 MET 64 HG3 MET 64 2.061 -5.279 -13.157 492 HE1 MET 64 HE1 MET 64 0.955 -5.909 -15.667 493 HE2 MET 64 HE2 MET 64 0.344 -7.452 -15.057 494 HE3 MET 64 HE3 MET 64 1.358 -7.409 -16.506 495 H ARG 65 H ARG 65 0.437 -4.445 -10.239 496 HA ARG 65 HA ARG 65 2.223 -2.076 -10.132 497 HB2 ARG 65 HB2 ARG 65 -0.745 -2.189 -10.839 498 HB3 ARG 65 HB3 ARG 65 0.274 -0.753 -10.879 499 HG2 ARG 65 HG2 ARG 65 0.577 -3.196 -12.654 500 HG3 ARG 65 HG3 ARG 65 -0.156 -1.662 -13.126 501 HD2 ARG 65 HD2 ARG 65 2.736 -1.979 -12.246 502 HD3 ARG 65 HD3 ARG 65 2.200 -1.987 -13.931 503 HE ARG 65 HE ARG 65 1.876 0.322 -12.088 504 HH11 ARG 65 HH11 ARG 65 2.458 -0.911 -15.330 505 HH12 ARG 65 HH12 ARG 65 2.754 0.662 -15.995 506 HH21 ARG 65 HH21 ARG 65 2.264 2.362 -12.977 507 HH22 ARG 65 HH22 ARG 65 2.635 2.513 -14.665 508 H ALA 66 H ALA 66 0.085 -3.966 -8.201 509 HA ALA 66 HA ALA 66 0.194 -2.037 -5.988 510 HB1 ALA 66 HB1 ALA 66 -1.925 -1.488 -7.146 511 HB2 ALA 66 HB2 ALA 66 -2.222 -2.157 -5.541 512 HB3 ALA 66 HB3 ALA 66 -2.461 -3.162 -6.975 513 H GLU 67 H GLU 67 -0.656 -3.031 -3.964 514 HA GLU 67 HA GLU 67 0.443 -5.708 -3.655 515 HB2 GLU 67 HB2 GLU 67 0.436 -5.309 -1.277 516 HB3 GLU 67 HB3 GLU 67 1.037 -3.857 -2.059 517 HG2 GLU 67 HG2 GLU 67 -1.735 -4.251 -0.901 518 HG3 GLU 67 HG3 GLU 67 -0.427 -3.330 -0.170 519 H ARG 68 H ARG 68 -0.686 -7.367 -2.435 520 HA ARG 68 HA ARG 68 -3.448 -7.776 -2.979 521 HB2 ARG 68 HB2 ARG 68 -3.225 -9.740 -1.419 522 HB3 ARG 68 HB3 ARG 68 -1.982 -9.700 -2.668 523 HG2 ARG 68 HG2 ARG 68 -0.370 -8.763 -1.035 524 HG3 ARG 68 HG3 ARG 68 -1.612 -8.814 0.218 525 HD2 ARG 68 HD2 ARG 68 -1.699 -11.278 0.029 526 HD3 ARG 68 HD3 ARG 68 -0.467 -11.222 -1.244 527 HE ARG 68 HE ARG 68 0.202 -10.026 1.347 528 HH11 ARG 68 HH11 ARG 68 0.619 -12.771 -0.812 529 HH12 ARG 68 HH12 ARG 68 2.020 -13.358 0.026 530 HH21 ARG 68 HH21 ARG 68 2.063 -10.797 2.394 531 HH22 ARG 68 HH22 ARG 68 2.836 -12.242 1.822 532 H ARG 69 H ARG 69 -5.188 -7.003 -1.898 533 HA ARG 69 HA ARG 69 -4.932 -5.592 0.641 534 HB2 ARG 69 HB2 ARG 69 -6.326 -4.698 -1.235 535 HB3 ARG 69 HB3 ARG 69 -7.369 -6.114 -1.124 536 HG2 ARG 69 HG2 ARG 69 -8.151 -5.441 1.071 537 HG3 ARG 69 HG3 ARG 69 -6.963 -4.136 1.147 538 HD2 ARG 69 HD2 ARG 69 -8.074 -2.962 -0.683 539 HD3 ARG 69 HD3 ARG 69 -9.205 -4.300 -0.896 540 HE ARG 69 HE ARG 69 -9.517 -3.488 1.715 541 HH11 ARG 69 HH11 ARG 69 -9.864 -1.939 -1.419 542 HH12 ARG 69 HH12 ARG 69 -11.095 -0.848 -0.872 543 HH21 ARG 69 HH21 ARG 69 -11.140 -2.066 2.403 544 HH22 ARG 69 HH22 ARG 69 -11.811 -0.921 1.293 545 H PHE 70 H PHE 70 -6.319 -6.253 2.499 546 HA PHE 70 HA PHE 70 -6.337 -9.203 2.735 547 HB2 PHE 70 HB2 PHE 70 -5.907 -6.954 4.735 548 HB3 PHE 70 HB3 PHE 70 -6.384 -8.559 5.287 549 HD1 PHE 70 HD1 PHE 70 -3.995 -7.520 2.573 550 HD2 PHE 70 HD2 PHE 70 -4.512 -9.498 6.325 551 HE1 PHE 70 HE1 PHE 70 -1.661 -8.269 2.496 552 HE2 PHE 70 HE2 PHE 70 -2.177 -10.237 6.240 553 HZ PHE 70 HZ PHE 70 -0.751 -9.627 4.329 554 H GLU 71 H GLU 71 -7.887 -9.962 4.497 555 HA GLU 71 HA GLU 71 -10.537 -8.695 4.470 556 HB2 GLU 71 HB2 GLU 71 -11.590 -10.918 4.023 557 HB3 GLU 71 HB3 GLU 71 -10.641 -10.339 2.660 558 HG2 GLU 71 HG2 GLU 71 -8.804 -11.862 3.255 559 HG3 GLU 71 HG3 GLU 71 -9.698 -12.410 4.673 560 H THR 72 H THR 72 -11.900 -9.499 6.221 561 HA THR 72 HA THR 72 -10.358 -10.213 8.601 562 HB THR 72 HB THR 72 -13.297 -9.400 8.392 563 HG1 THR 72 HG1 THR 72 -12.387 -7.312 9.073 564 HG21 THR 72 HG21 THR 72 -13.061 -8.792 10.769 565 HG22 THR 72 HG22 THR 72 -11.382 -9.330 10.760 566 HG23 THR 72 HG23 THR 72 -12.684 -10.502 10.541 567 H ARG 73 H ARG 73 -10.151 -12.382 8.945 568 HA ARG 73 HA ARG 73 -11.929 -14.395 7.934 569 HB2 ARG 73 HB2 ARG 73 -9.610 -14.608 9.914 570 HB3 ARG 73 HB3 ARG 73 -10.430 -15.977 9.166 571 HG2 ARG 73 HG2 ARG 73 -8.749 -13.874 7.752 572 HG3 ARG 73 HG3 ARG 73 -8.316 -15.565 8.038 573 HD2 ARG 73 HD2 ARG 73 -10.543 -14.531 6.238 574 HD3 ARG 73 HD3 ARG 73 -9.027 -15.272 5.721 575 HE ARG 73 HE ARG 73 -10.373 -17.105 7.362 576 HH11 ARG 73 HH11 ARG 73 -10.826 -15.639 4.188 577 HH12 ARG 73 HH12 ARG 73 -11.737 -16.982 3.580 578 HH21 ARG 73 HH21 ARG 73 -11.560 -18.845 6.532 579 HH22 ARG 73 HH22 ARG 73 -12.147 -18.789 4.900 580 H LEU 74 H LEU 74 -11.019 -13.475 11.292 581 HA LEU 74 HA LEU 74 -13.706 -14.333 12.252 582 HB2 LEU 74 HB2 LEU 74 -11.052 -14.431 13.754 583 HB3 LEU 74 HB3 LEU 74 -12.617 -14.846 14.441 584 HG LEU 74 HG LEU 74 -11.294 -16.365 12.146 585 HD11 LEU 74 HD11 LEU 74 -10.003 -16.611 14.221 586 HD12 LEU 74 HD12 LEU 74 -10.782 -18.120 13.762 587 HD13 LEU 74 HD13 LEU 74 -11.453 -17.148 15.078 588 HD21 LEU 74 HD21 LEU 74 -13.740 -16.565 12.113 589 HD22 LEU 74 HD22 LEU 74 -13.745 -17.058 13.809 590 HD23 LEU 74 HD23 LEU 74 -13.003 -18.097 12.589 591 H ALA 75 H ALA 75 -14.444 -13.097 14.214 592 HA ALA 75 HA ALA 75 -13.288 -10.456 14.615 593 HB1 ALA 75 HB1 ALA 75 -14.629 -10.148 12.563 594 HB2 ALA 75 HB2 ALA 75 -15.303 -9.230 13.908 595 HB3 ALA 75 HB3 ALA 75 -16.065 -10.741 13.403 596 H GLY 76 H GLY 76 -13.484 -9.939 16.696 597 HA2 GLY 76 HA2 GLY 76 -14.264 -9.670 18.832 598 HA3 GLY 76 HA3 GLY 76 -15.879 -9.947 18.200 599 H VAL 77 H VAL 77 -13.184 -12.157 18.134 600 HA VAL 77 HA VAL 77 -14.658 -14.197 19.669 601 HB VAL 77 HB VAL 77 -13.265 -15.860 18.472 602 HG11 VAL 77 HG11 VAL 77 -14.643 -13.934 16.565 603 HG12 VAL 77 HG12 VAL 77 -15.409 -15.255 17.450 604 HG13 VAL 77 HG13 VAL 77 -14.220 -15.611 16.197 605 HG21 VAL 77 HG21 VAL 77 -11.216 -14.550 18.116 606 HG22 VAL 77 HG22 VAL 77 -12.059 -13.498 16.976 607 HG23 VAL 77 HG23 VAL 77 -11.795 -15.198 16.579 608 H GLU 78 H GLU 78 -12.538 -15.903 20.345 609 HA GLU 78 HA GLU 78 -10.661 -14.212 21.926 610 HB2 GLU 78 HB2 GLU 78 -10.571 -16.072 23.571 611 HB3 GLU 78 HB3 GLU 78 -12.195 -15.409 23.405 612 HG2 GLU 78 HG2 GLU 78 -12.803 -17.314 21.935 613 HG3 GLU 78 HG3 GLU 78 -11.189 -17.987 22.154 614 H GLY 79 H GLY 79 -8.639 -15.555 22.561 615 HA2 GLY 79 HA2 GLY 79 -7.120 -16.051 20.234 616 HA3 GLY 79 HA3 GLY 79 -6.611 -16.373 21.885 617 H GLU 80 H GLU 80 -9.019 -18.186 22.181 618 HA GLU 80 HA GLU 80 -7.935 -20.695 21.452 619 HB2 GLU 80 HB2 GLU 80 -9.603 -20.343 23.282 620 HB3 GLU 80 HB3 GLU 80 -10.831 -19.956 22.084 621 HG2 GLU 80 HG2 GLU 80 -11.153 -22.214 22.867 622 HG3 GLU 80 HG3 GLU 80 -10.652 -22.251 21.176 623 H GLU 81 H GLU 81 -10.498 -18.679 20.034 624 HA GLU 81 HA GLU 81 -11.145 -20.329 17.811 625 HB2 GLU 81 HB2 GLU 81 -11.507 -17.325 18.148 626 HB3 GLU 81 HB3 GLU 81 -12.324 -18.334 16.952 627 HG2 GLU 81 HG2 GLU 81 -12.650 -18.556 19.968 628 HG3 GLU 81 HG3 GLU 81 -13.759 -17.727 18.879 629 H ILE 82 H ILE 82 -8.917 -17.621 18.274 630 HA ILE 82 HA ILE 82 -8.174 -17.191 15.593 631 HB ILE 82 HB ILE 82 -6.502 -16.676 18.102 632 HG12 ILE 82 HG12 ILE 82 -8.731 -15.547 18.186 633 HG13 ILE 82 HG13 ILE 82 -7.414 -14.389 18.082 634 HG21 ILE 82 HG21 ILE 82 -5.096 -16.577 16.113 635 HG22 ILE 82 HG22 ILE 82 -5.345 -14.947 16.736 636 HG23 ILE 82 HG23 ILE 82 -6.234 -15.490 15.312 637 HD11 ILE 82 HD11 ILE 82 -9.295 -13.726 16.716 638 HD12 ILE 82 HD12 ILE 82 -9.209 -15.238 15.812 639 HD13 ILE 82 HD13 ILE 82 -7.890 -14.067 15.708 640 H ALA 83 H ALA 83 -6.445 -19.008 18.160 641 HA ALA 83 HA ALA 83 -4.437 -20.106 16.476 642 HB1 ALA 83 HB1 ALA 83 -3.913 -21.581 18.383 643 HB2 ALA 83 HB2 ALA 83 -5.412 -21.087 19.177 644 HB3 ALA 83 HB3 ALA 83 -4.132 -19.908 18.894 645 H ALA 84 H ALA 84 -7.694 -21.153 17.280 646 HA ALA 84 HA ALA 84 -7.593 -23.844 16.404 647 HB1 ALA 84 HB1 ALA 84 -9.473 -22.962 17.725 648 HB2 ALA 84 HB2 ALA 84 -10.048 -23.711 16.235 649 HB3 ALA 84 HB3 ALA 84 -9.970 -21.950 16.369 650 H LEU 85 H LEU 85 -7.986 -20.792 14.623 651 HA LEU 85 HA LEU 85 -8.359 -22.122 12.077 652 HB2 LEU 85 HB2 LEU 85 -9.270 -19.837 12.385 653 HB3 LEU 85 HB3 LEU 85 -7.643 -19.219 12.623 654 HG LEU 85 HG LEU 85 -7.444 -20.578 10.173 655 HD11 LEU 85 HD11 LEU 85 -10.091 -19.179 10.123 656 HD12 LEU 85 HD12 LEU 85 -9.777 -20.914 9.975 657 HD13 LEU 85 HD13 LEU 85 -9.197 -19.808 8.735 658 HD21 LEU 85 HD21 LEU 85 -6.300 -18.547 10.601 659 HD22 LEU 85 HD22 LEU 85 -7.812 -17.619 10.605 660 HD23 LEU 85 HD23 LEU 85 -7.239 -18.382 9.117 661 H LEU 86 H LEU 86 -5.638 -20.435 13.722 662 HA LEU 86 HA LEU 86 -3.911 -20.474 11.504 663 HB2 LEU 86 HB2 LEU 86 -3.407 -20.026 14.436 664 HB3 LEU 86 HB3 LEU 86 -2.034 -20.260 13.383 665 HG LEU 86 HG LEU 86 -2.174 -17.947 13.466 666 HD11 LEU 86 HD11 LEU 86 -2.103 -18.716 11.136 667 HD12 LEU 86 HD12 LEU 86 -2.857 -17.137 11.306 668 HD13 LEU 86 HD13 LEU 86 -3.861 -18.564 11.028 669 HD21 LEU 86 HD21 LEU 86 -5.185 -18.071 13.237 670 HD22 LEU 86 HD22 LEU 86 -4.210 -16.599 13.345 671 HD23 LEU 86 HD23 LEU 86 -4.252 -17.730 14.694 672 H GLU 87 H GLU 87 -4.544 -22.992 13.845 673 HA GLU 87 HA GLU 87 -2.330 -24.664 13.193 674 HB2 GLU 87 HB2 GLU 87 -3.478 -26.429 14.356 675 HB3 GLU 87 HB3 GLU 87 -3.816 -24.942 15.221 676 HG2 GLU 87 HG2 GLU 87 -5.947 -25.741 15.215 677 HG3 GLU 87 HG3 GLU 87 -6.011 -25.001 13.632 678 H ARG 88 H ARG 88 -5.479 -24.090 11.735 679 HA ARG 88 HA ARG 88 -5.447 -26.372 9.997 680 HB2 ARG 88 HB2 ARG 88 -7.152 -23.859 9.704 681 HB3 ARG 88 HB3 ARG 88 -7.472 -25.453 9.015 682 HG2 ARG 88 HG2 ARG 88 -7.724 -26.340 11.344 683 HG3 ARG 88 HG3 ARG 88 -7.537 -24.694 11.949 684 HD2 ARG 88 HD2 ARG 88 -9.886 -25.181 11.886 685 HD3 ARG 88 HD3 ARG 88 -9.555 -24.054 10.568 686 HE ARG 88 HE ARG 88 -10.035 -25.705 9.025 687 HH11 ARG 88 HH11 ARG 88 -9.930 -27.189 12.224 688 HH12 ARG 88 HH12 ARG 88 -10.620 -28.682 11.678 689 HH21 ARG 88 HH21 ARG 88 -10.936 -27.669 8.336 690 HH22 ARG 88 HH22 ARG 88 -11.205 -28.948 9.482 691 H GLU 89 H GLU 89 -4.930 -22.854 9.581 692 HA GLU 89 HA GLU 89 -4.465 -22.832 6.811 693 HB2 GLU 89 HB2 GLU 89 -3.482 -20.864 8.916 694 HB3 GLU 89 HB3 GLU 89 -3.500 -20.568 7.176 695 HG2 GLU 89 HG2 GLU 89 -5.878 -20.952 9.008 696 HG3 GLU 89 HG3 GLU 89 -5.370 -19.462 8.216 697 H ARG 90 H ARG 90 -2.230 -23.177 9.545 698 HA ARG 90 HA ARG 90 0.145 -23.266 7.927 699 HB2 ARG 90 HB2 ARG 90 1.386 -23.846 9.868 700 HB3 ARG 90 HB3 ARG 90 0.118 -22.754 10.415 701 HG2 ARG 90 HG2 ARG 90 -1.184 -24.701 11.239 702 HG3 ARG 90 HG3 ARG 90 0.116 -25.775 10.720 703 HD2 ARG 90 HD2 ARG 90 1.663 -24.609 12.275 704 HD3 ARG 90 HD3 ARG 90 0.323 -23.590 12.816 705 HE ARG 90 HE ARG 90 0.123 -26.523 13.091 706 HH11 ARG 90 HH11 ARG 90 0.332 -23.379 14.643 707 HH12 ARG 90 HH12 ARG 90 0.026 -24.004 16.231 708 HH21 ARG 90 HH21 ARG 90 -0.245 -27.336 15.178 709 HH22 ARG 90 HH22 ARG 90 -0.294 -26.253 16.530 710 H ARG 91 H ARG 91 -2.190 -25.700 8.893 711 HA ARG 91 HA ARG 91 -0.768 -28.057 8.221 712 HB2 ARG 91 HB2 ARG 91 -2.909 -28.006 9.522 713 HB3 ARG 91 HB3 ARG 91 -3.763 -27.503 8.072 714 HG2 ARG 91 HG2 ARG 91 -2.987 -29.709 7.022 715 HG3 ARG 91 HG3 ARG 91 -2.505 -30.190 8.653 716 HD2 ARG 91 HD2 ARG 91 -5.305 -29.468 7.709 717 HD3 ARG 91 HD3 ARG 91 -4.718 -31.073 8.148 718 HE ARG 91 HE ARG 91 -4.377 -29.432 10.379 719 HH11 ARG 91 HH11 ARG 91 -7.083 -30.657 8.489 720 HH12 ARG 91 HH12 ARG 91 -8.164 -30.653 9.842 721 HH21 ARG 91 HH21 ARG 91 -5.829 -29.428 12.123 722 HH22 ARG 91 HH22 ARG 91 -7.459 -29.968 11.882 723 H PHE 92 H PHE 92 -3.000 -26.009 6.315 724 HA PHE 92 HA PHE 92 -2.760 -27.427 3.863 725 HB2 PHE 92 HB2 PHE 92 -3.742 -24.607 4.484 726 HB3 PHE 92 HB3 PHE 92 -3.795 -25.307 2.875 727 HD1 PHE 92 HD1 PHE 92 -5.270 -27.307 2.425 728 HD2 PHE 92 HD2 PHE 92 -5.414 -25.207 6.137 729 HE1 PHE 92 HE1 PHE 92 -7.430 -28.364 2.946 730 HE2 PHE 92 HE2 PHE 92 -7.569 -26.268 6.656 731 HZ PHE 92 HZ PHE 92 -8.578 -27.852 5.062 732 H ASP 93 H ASP 93 -1.334 -24.313 4.932 733 HA ASP 93 HA ASP 93 1.105 -24.799 3.389 734 HB2 ASP 93 HB2 ASP 93 -0.727 -22.411 2.905 735 HB3 ASP 93 HB3 ASP 93 0.971 -22.385 2.469 736 H SER 94 H SER 94 2.520 -24.679 5.057 737 HA SER 94 HA SER 94 2.112 -23.027 7.385 738 HB2 SER 94 HB2 SER 94 3.131 -25.321 7.455 739 HB3 SER 94 HB3 SER 94 4.564 -24.679 6.661 740 HG SER 94 HG SER 94 4.256 -24.811 9.179 741 H ASP 95 H ASP 95 3.301 -22.142 4.399 742 HA ASP 95 HA ASP 95 5.534 -20.469 5.123 743 HB2 ASP 95 HB2 ASP 95 5.340 -19.567 2.825 744 HB3 ASP 95 HB3 ASP 95 5.313 -21.325 2.839 745 H LEU 96 H LEU 96 2.413 -20.029 6.079 746 HA LEU 96 HA LEU 96 2.143 -17.208 5.584 747 HB2 LEU 96 HB2 LEU 96 0.170 -17.211 6.890 748 HB3 LEU 96 HB3 LEU 96 0.161 -18.715 5.990 749 HG LEU 96 HG LEU 96 1.030 -18.567 8.905 750 HD11 LEU 96 HD11 LEU 96 -1.270 -17.750 8.739 751 HD12 LEU 96 HD12 LEU 96 -1.193 -19.317 9.539 752 HD13 LEU 96 HD13 LEU 96 -1.740 -19.211 7.861 753 HD21 LEU 96 HD21 LEU 96 0.564 -20.957 8.931 754 HD22 LEU 96 HD22 LEU 96 1.764 -20.572 7.699 755 HD23 LEU 96 HD23 LEU 96 0.095 -20.911 7.228 756 H TRP 97 H TRP 97 2.147 -15.562 7.121 757 HA TRP 97 HA TRP 97 3.938 -15.864 9.456 758 HB2 TRP 97 HB2 TRP 97 3.258 -13.406 7.770 759 HB3 TRP 97 HB3 TRP 97 4.245 -13.376 9.223 760 HD1 TRP 97 HD1 TRP 97 4.397 -15.448 5.908 761 HE1 TRP 97 HE1 TRP 97 6.821 -15.430 5.104 762 HE3 TRP 97 HE3 TRP 97 6.418 -12.544 9.572 763 HZ2 TRP 97 HZ2 TRP 97 9.295 -14.300 5.894 764 HZ3 TRP 97 HZ3 TRP 97 8.819 -12.013 9.480 765 HH2 TRP 97 HH2 TRP 97 10.230 -12.876 7.673 766 H VAL 98 H VAL 98 3.044 -15.432 11.401 767 HA VAL 98 HA VAL 98 0.308 -14.318 11.487 768 HB VAL 98 HB VAL 98 1.569 -16.163 13.564 769 HG11 VAL 98 HG11 VAL 98 -0.762 -16.410 14.393 770 HG12 VAL 98 HG12 VAL 98 -1.323 -15.276 13.160 771 HG13 VAL 98 HG13 VAL 98 -0.243 -14.723 14.441 772 HG21 VAL 98 HG21 VAL 98 0.139 -17.968 12.629 773 HG22 VAL 98 HG22 VAL 98 1.327 -17.402 11.454 774 HG23 VAL 98 HG23 VAL 98 -0.359 -16.894 11.318 775 H VAL 99 H VAL 99 0.071 -12.414 12.505 776 HA VAL 99 HA VAL 99 2.270 -11.411 14.272 777 HB VAL 99 HB VAL 99 0.660 -9.665 12.341 778 HG11 VAL 99 HG11 VAL 99 3.048 -8.927 14.064 779 HG12 VAL 99 HG12 VAL 99 1.379 -8.427 14.337 780 HG13 VAL 99 HG13 VAL 99 2.241 -7.861 12.905 781 HG21 VAL 99 HG21 VAL 99 3.544 -10.573 12.071 782 HG22 VAL 99 HG22 VAL 99 2.714 -9.438 11.001 783 HG23 VAL 99 HG23 VAL 99 2.191 -11.122 11.076 784 H GLU 100 H GLU 100 1.520 -11.075 16.293 785 HA GLU 100 HA GLU 100 -1.291 -10.564 16.825 786 HB2 GLU 100 HB2 GLU 100 -0.602 -10.611 19.241 787 HB3 GLU 100 HB3 GLU 100 -0.209 -12.085 18.362 788 HG2 GLU 100 HG2 GLU 100 2.154 -11.241 18.144 789 HG3 GLU 100 HG3 GLU 100 1.720 -9.890 19.185 790 H ILE 101 H ILE 101 -1.914 -8.567 16.277 791 HA ILE 101 HA ILE 101 -0.415 -6.244 17.346 792 HB ILE 101 HB ILE 101 -1.575 -4.786 15.804 793 HG12 ILE 101 HG12 ILE 101 -3.161 -7.180 14.765 794 HG13 ILE 101 HG13 ILE 101 -3.816 -5.937 15.810 795 HG21 ILE 101 HG21 ILE 101 -0.629 -7.239 14.271 796 HG22 ILE 101 HG22 ILE 101 0.391 -5.942 14.885 797 HG23 ILE 101 HG23 ILE 101 -0.780 -5.606 13.616 798 HD11 ILE 101 HD11 ILE 101 -2.813 -5.554 13.003 799 HD12 ILE 101 HD12 ILE 101 -3.432 -4.274 14.053 800 HD13 ILE 101 HD13 ILE 101 -4.492 -5.586 13.539 801 H GLU 102 H GLU 102 -1.503 -4.760 18.678 802 HA GLU 102 HA GLU 102 -4.227 -5.523 19.559 803 HB2 GLU 102 HB2 GLU 102 -2.544 -5.929 21.365 804 HB3 GLU 102 HB3 GLU 102 -2.073 -4.229 21.300 805 HG2 GLU 102 HG2 GLU 102 -4.432 -3.613 21.889 806 HG3 GLU 102 HG3 GLU 102 -4.801 -5.327 22.052 807 H THR 103 H THR 103 -5.692 -4.056 19.231 808 HA THR 103 HA THR 103 -5.444 -1.246 19.374 809 HB THR 103 HB THR 103 -4.216 -1.469 17.208 810 HG1 THR 103 HG1 THR 103 -5.769 -0.164 15.919 811 HG21 THR 103 HG21 THR 103 -5.334 -2.318 15.182 812 HG22 THR 103 HG22 THR 103 -6.748 -2.778 16.131 813 HG23 THR 103 HG23 THR 103 -5.201 -3.590 16.396 814 H ASP 104 H ASP 104 -7.563 -0.217 18.782 815 HA ASP 104 HA ASP 104 -9.828 -2.120 18.518 816 HB2 ASP 104 HB2 ASP 104 -11.300 -0.281 19.152 817 HB3 ASP 104 HB3 ASP 104 -10.014 -0.419 20.340 818 H GLU 105 H GLU 105 -8.157 0.540 16.956 819 HA GLU 105 HA GLU 105 -10.019 0.606 14.685 820 HB2 GLU 105 HB2 GLU 105 -8.672 2.654 14.012 821 HB3 GLU 105 HB3 GLU 105 -9.561 2.796 15.520 822 HG2 GLU 105 HG2 GLU 105 -7.518 2.475 16.813 823 HG3 GLU 105 HG3 GLU 105 -6.586 2.198 15.340 824 H ILE 106 H ILE 106 -9.568 -1.140 13.454 825 HA ILE 106 HA ILE 106 -6.864 -1.967 12.803 826 HB ILE 106 HB ILE 106 -8.603 -3.681 13.095 827 HG12 ILE 106 HG12 ILE 106 -8.229 -4.983 10.947 828 HG13 ILE 106 HG13 ILE 106 -7.486 -3.546 10.253 829 HG21 ILE 106 HG21 ILE 106 -10.439 -4.007 11.468 830 HG22 ILE 106 HG22 ILE 106 -9.983 -2.504 10.661 831 HG23 ILE 106 HG23 ILE 106 -10.576 -2.467 12.322 832 HD11 ILE 106 HD11 ILE 106 -5.869 -5.184 11.050 833 HD12 ILE 106 HD12 ILE 106 -6.494 -5.022 12.690 834 HD13 ILE 106 HD13 ILE 106 -5.716 -3.650 11.897 835 H GLY 107 H GLY 107 -9.344 0.024 11.335 836 HA2 GLY 107 HA2 GLY 107 -8.711 -0.315 8.592 837 HA3 GLY 107 HA3 GLY 107 -9.659 0.989 9.285 838 H THR 108 H THR 108 -7.156 1.607 11.011 839 HA THR 108 HA THR 108 -6.005 3.536 9.152 840 HB THR 108 HB THR 108 -6.669 4.296 11.390 841 HG1 THR 108 HG1 THR 108 -4.585 5.247 11.980 842 HG21 THR 108 HG21 THR 108 -4.515 2.454 12.472 843 HG22 THR 108 HG22 THR 108 -6.253 2.254 12.704 844 HG23 THR 108 HG23 THR 108 -5.421 3.641 13.412 845 H LEU 109 H LEU 109 -5.164 0.437 10.438 846 HA LEU 109 HA LEU 109 -2.302 0.781 9.767 847 HB2 LEU 109 HB2 LEU 109 -1.876 -0.699 11.846 848 HB3 LEU 109 HB3 LEU 109 -2.258 0.990 12.084 849 HG LEU 109 HG LEU 109 -4.739 0.120 12.422 850 HD11 LEU 109 HD11 LEU 109 -4.328 -2.206 11.776 851 HD12 LEU 109 HD12 LEU 109 -4.956 -2.059 13.416 852 HD13 LEU 109 HD13 LEU 109 -3.241 -2.394 13.160 853 HD21 LEU 109 HD21 LEU 109 -3.412 1.240 14.167 854 HD22 LEU 109 HD22 LEU 109 -2.676 -0.301 14.604 855 HD23 LEU 109 HD23 LEU 109 -4.409 -0.054 14.829 856 H LEU 110 H LEU 110 -4.985 -0.879 8.909 857 HA LEU 110 HA LEU 110 -3.489 -2.632 7.222 858 HB2 LEU 110 HB2 LEU 110 -3.477 -4.051 9.258 859 HB3 LEU 110 HB3 LEU 110 -5.221 -3.920 9.380 860 HG LEU 110 HG LEU 110 -5.476 -5.200 7.276 861 HD11 LEU 110 HD11 LEU 110 -2.464 -5.471 7.290 862 HD12 LEU 110 HD12 LEU 110 -3.437 -4.585 6.113 863 HD13 LEU 110 HD13 LEU 110 -3.574 -6.337 6.225 864 HD21 LEU 110 HD21 LEU 110 -3.747 -6.654 9.309 865 HD22 LEU 110 HD22 LEU 110 -4.829 -7.405 8.132 866 HD23 LEU 110 HD23 LEU 110 -5.494 -6.409 9.426 867 H THR 111 H THR 111 -4.642 -3.001 5.381 868 HA THR 111 HA THR 111 -7.277 -1.724 5.159 869 HB THR 111 HB THR 111 -5.465 -2.658 2.884 870 HG1 THR 111 HG1 THR 111 -5.668 -0.002 3.894 871 HG21 THR 111 HG21 THR 111 -7.842 -2.236 2.283 872 HG22 THR 111 HG22 THR 111 -6.769 -1.038 1.552 873 HG23 THR 111 HG23 THR 111 -7.723 -0.616 2.979 874 H LEU 112 H LEU 112 -9.127 -2.845 4.683 875 HA LEU 112 HA LEU 112 -8.988 -5.760 4.139 876 HB2 LEU 112 HB2 LEU 112 -10.758 -4.404 6.207 877 HB3 LEU 112 HB3 LEU 112 -10.740 -6.127 5.843 878 HG LEU 112 HG LEU 112 -8.260 -4.710 6.870 879 HD11 LEU 112 HD11 LEU 112 -10.394 -5.977 8.560 880 HD12 LEU 112 HD12 LEU 112 -9.983 -4.259 8.480 881 HD13 LEU 112 HD13 LEU 112 -8.816 -5.414 9.117 882 HD21 LEU 112 HD21 LEU 112 -7.569 -6.934 7.588 883 HD22 LEU 112 HD22 LEU 112 -7.903 -6.912 5.859 884 HD23 LEU 112 HD23 LEU 112 -9.075 -7.621 6.972 885 H VAL 113 H VAL 113 -10.563 -6.545 2.799 886 HA VAL 113 HA VAL 113 -12.310 -4.755 1.348 887 HB VAL 113 HB VAL 113 -13.015 -6.809 0.059 888 HG11 VAL 113 HG11 VAL 113 -10.002 -6.421 0.223 889 HG12 VAL 113 HG12 VAL 113 -11.123 -5.477 -0.762 890 HG13 VAL 113 HG13 VAL 113 -10.875 -7.188 -1.109 891 HG21 VAL 113 HG21 VAL 113 -10.969 -8.282 1.774 892 HG22 VAL 113 HG22 VAL 113 -11.817 -8.950 0.375 893 HG23 VAL 113 HG23 VAL 113 -12.719 -8.517 1.829 894 H ASP 114 H ASP 114 -12.544 -7.065 3.929 895 HA ASP 114 HA ASP 114 -15.348 -7.536 3.945 896 HB2 ASP 114 HB2 ASP 114 -13.783 -9.074 5.051 897 HB3 ASP 114 HB3 ASP 114 -13.226 -7.802 6.129 898 H GLN 115 H GLN 115 -13.280 -5.443 5.970 899 HA GLN 115 HA GLN 115 -15.401 -4.142 7.355 900 HB2 GLN 115 HB2 GLN 115 -12.456 -3.424 7.029 901 HB3 GLN 115 HB3 GLN 115 -13.551 -2.573 8.118 902 HG2 GLN 115 HG2 GLN 115 -12.895 -5.535 8.291 903 HG3 GLN 115 HG3 GLN 115 -12.129 -4.272 9.254 904 HE21 GLN 115 HE21 GLN 115 -15.107 -6.054 8.705 905 HE22 GLN 115 HE22 GLN 115 -15.856 -5.628 10.204 906 HA PRO 116 HA PRO 116 -16.956 -1.238 4.443 907 HB2 PRO 116 HB2 PRO 116 -17.462 1.009 6.020 908 HB3 PRO 116 HB3 PRO 116 -18.479 -0.437 5.975 909 HG2 PRO 116 HG2 PRO 116 -16.314 0.300 7.940 910 HG3 PRO 116 HG3 PRO 116 -17.933 -0.361 8.256 911 HD2 PRO 116 HD2 PRO 116 -15.774 -1.946 8.313 912 HD3 PRO 116 HD3 PRO 116 -17.303 -2.539 7.622 913 H GLN 117 H GLN 117 -16.461 0.414 3.089 914 HA GLN 117 HA GLN 117 -13.827 1.301 2.719 915 HB2 GLN 117 HB2 GLN 117 -16.441 2.460 1.647 916 HB3 GLN 117 HB3 GLN 117 -14.842 2.862 1.025 917 HG2 GLN 117 HG2 GLN 117 -16.050 0.077 0.981 918 HG3 GLN 117 HG3 GLN 117 -16.107 1.217 -0.366 919 HE21 GLN 117 HE21 GLN 117 -14.160 1.757 -1.443 920 HE22 GLN 117 HE22 GLN 117 -12.768 0.740 -1.355 921 H ALA 118 H ALA 118 -16.660 2.904 4.098 922 HA ALA 118 HA ALA 118 -14.965 4.688 5.706 923 HB1 ALA 118 HB1 ALA 118 -17.360 5.668 4.087 924 HB2 ALA 118 HB2 ALA 118 -15.668 6.038 3.752 925 HB3 ALA 118 HB3 ALA 118 -16.420 6.631 5.233 Start of MODEL 14 1 H MET 1 H MET 1 -0.003 -1.174 -0.834 2 HA MET 1 HA MET 1 2.019 -0.088 -1.436 3 HB2 MET 1 HB2 MET 1 2.843 -0.977 1.347 4 HB3 MET 1 HB3 MET 1 4.071 -0.720 0.113 5 HG2 MET 1 HG2 MET 1 2.099 1.369 1.074 6 HG3 MET 1 HG3 MET 1 3.797 1.248 1.544 7 HE1 MET 1 HE1 MET 1 5.177 0.393 -1.272 8 HE2 MET 1 HE2 MET 1 5.852 1.615 -0.192 9 HE3 MET 1 HE3 MET 1 5.614 1.984 -1.899 10 H ARG 2 H ARG 2 2.614 -1.331 -3.096 11 HA ARG 2 HA ARG 2 2.693 -4.160 -3.179 12 HB2 ARG 2 HB2 ARG 2 3.923 -2.066 -5.019 13 HB3 ARG 2 HB3 ARG 2 3.818 -3.784 -5.403 14 HG2 ARG 2 HG2 ARG 2 1.409 -3.697 -5.482 15 HG3 ARG 2 HG3 ARG 2 1.391 -2.048 -4.845 16 HD2 ARG 2 HD2 ARG 2 1.007 -2.221 -7.320 17 HD3 ARG 2 HD3 ARG 2 2.349 -1.168 -6.861 18 HE ARG 2 HE ARG 2 2.860 -3.966 -7.664 19 HH11 ARG 2 HH11 ARG 2 3.241 -0.545 -8.408 20 HH12 ARG 2 HH12 ARG 2 4.525 -0.822 -9.535 21 HH21 ARG 2 HH21 ARG 2 4.548 -4.278 -9.156 22 HH22 ARG 2 HH22 ARG 2 5.261 -2.910 -9.948 23 H LEU 3 H LEU 3 4.001 -4.997 -1.636 24 HA LEU 3 HA LEU 3 6.880 -4.980 -2.092 25 HB2 LEU 3 HB2 LEU 3 7.074 -4.895 0.590 26 HB3 LEU 3 HB3 LEU 3 7.099 -3.433 -0.383 27 HG LEU 3 HG LEU 3 4.687 -3.045 0.156 28 HD11 LEU 3 HD11 LEU 3 4.932 -5.464 1.952 29 HD12 LEU 3 HD12 LEU 3 3.923 -5.311 0.510 30 HD13 LEU 3 HD13 LEU 3 3.582 -4.325 1.927 31 HD21 LEU 3 HD21 LEU 3 6.447 -1.995 1.547 32 HD22 LEU 3 HD22 LEU 3 6.388 -3.370 2.654 33 HD23 LEU 3 HD23 LEU 3 4.979 -2.324 2.465 34 H LYS 4 H LYS 4 7.843 -6.693 -0.362 35 HA LYS 4 HA LYS 4 6.588 -9.215 -0.797 36 HB2 LYS 4 HB2 LYS 4 8.810 -8.421 1.142 37 HB3 LYS 4 HB3 LYS 4 8.298 -10.084 0.851 38 HG2 LYS 4 HG2 LYS 4 8.896 -9.741 -1.587 39 HG3 LYS 4 HG3 LYS 4 9.618 -8.194 -1.127 40 HD2 LYS 4 HD2 LYS 4 10.441 -10.942 -0.089 41 HD3 LYS 4 HD3 LYS 4 11.311 -9.995 -1.297 42 HE2 LYS 4 HE2 LYS 4 11.689 -8.220 0.436 43 HE3 LYS 4 HE3 LYS 4 10.904 -9.258 1.627 44 HZ1 LYS 4 HZ1 LYS 4 13.330 -9.400 1.688 45 HZ2 LYS 4 HZ2 LYS 4 13.348 -9.978 0.102 46 HZ3 LYS 4 HZ3 LYS 4 12.626 -10.893 1.332 47 H SER 5 H SER 5 5.692 -10.625 0.781 48 HA SER 5 HA SER 5 3.786 -9.633 2.577 49 HB2 SER 5 HB2 SER 5 5.077 -12.391 2.697 50 HB3 SER 5 HB3 SER 5 3.414 -11.955 3.098 51 HG SER 5 HG SER 5 3.402 -12.876 1.088 52 H GLU 6 H GLU 6 7.119 -10.751 3.061 53 HA GLU 6 HA GLU 6 7.363 -10.641 5.849 54 HB2 GLU 6 HB2 GLU 6 9.071 -11.706 4.486 55 HB3 GLU 6 HB3 GLU 6 9.394 -10.215 3.609 56 HG2 GLU 6 HG2 GLU 6 10.432 -9.210 5.540 57 HG3 GLU 6 HG3 GLU 6 9.913 -10.525 6.583 58 H MET 7 H MET 7 8.104 -8.228 3.367 59 HA MET 7 HA MET 7 8.925 -6.167 5.149 60 HB2 MET 7 HB2 MET 7 9.704 -6.303 2.787 61 HB3 MET 7 HB3 MET 7 8.063 -5.992 2.227 62 HG2 MET 7 HG2 MET 7 9.545 -3.996 2.133 63 HG3 MET 7 HG3 MET 7 8.107 -3.761 3.129 64 HE1 MET 7 HE1 MET 7 9.688 -1.514 3.912 65 HE2 MET 7 HE2 MET 7 10.082 -1.730 5.617 66 HE3 MET 7 HE3 MET 7 8.476 -2.156 5.026 67 H PHE 8 H PHE 8 5.816 -7.221 3.924 68 HA PHE 8 HA PHE 8 4.318 -4.877 4.542 69 HB2 PHE 8 HB2 PHE 8 3.477 -6.734 3.022 70 HB3 PHE 8 HB3 PHE 8 3.235 -7.736 4.441 71 HD1 PHE 8 HD2 PHE 8 1.495 -7.032 6.173 72 HD2 PHE 8 HD1 PHE 8 1.888 -4.999 2.428 73 HE1 PHE 8 HE2 PHE 8 -0.693 -5.975 6.509 74 HE2 PHE 8 HE1 PHE 8 -0.302 -3.945 2.777 75 HZ PHE 8 HZ PHE 8 -1.596 -4.429 4.815 76 H VAL 9 H VAL 9 4.986 -7.927 6.315 77 HA VAL 9 HA VAL 9 3.515 -7.346 8.647 78 HB VAL 9 HB VAL 9 6.050 -9.056 8.466 79 HG11 VAL 9 HG11 VAL 9 5.657 -8.435 10.767 80 HG12 VAL 9 HG12 VAL 9 5.226 -10.130 10.538 81 HG13 VAL 9 HG13 VAL 9 3.961 -8.903 10.646 82 HG21 VAL 9 HG21 VAL 9 3.122 -9.865 8.325 83 HG22 VAL 9 HG22 VAL 9 4.501 -10.969 8.319 84 HG23 VAL 9 HG23 VAL 9 4.257 -9.856 6.974 85 H SER 10 H SER 10 6.874 -6.694 7.791 86 HA SER 10 HA SER 10 7.826 -5.511 10.116 87 HB2 SER 10 HB2 SER 10 8.519 -4.818 7.223 88 HB3 SER 10 HB3 SER 10 9.494 -4.398 8.634 89 HG SER 10 HG SER 10 8.975 -6.958 7.540 90 H ALA 11 H ALA 11 6.327 -3.930 7.277 91 HA ALA 11 HA ALA 11 6.283 -1.294 8.292 92 HB1 ALA 11 HB1 ALA 11 4.770 -0.809 6.402 93 HB2 ALA 11 HB2 ALA 11 4.519 -2.539 6.147 94 HB3 ALA 11 HB3 ALA 11 6.113 -1.830 5.886 95 H LEU 12 H LEU 12 3.957 -3.911 8.466 96 HA LEU 12 HA LEU 12 1.620 -2.629 9.315 97 HB2 LEU 12 HB2 LEU 12 1.490 -4.868 8.501 98 HB3 LEU 12 HB3 LEU 12 2.716 -5.426 9.620 99 HG LEU 12 HG LEU 12 1.083 -5.172 11.504 100 HD11 LEU 12 HD11 LEU 12 -1.298 -4.893 11.048 101 HD12 LEU 12 HD12 LEU 12 -0.944 -4.563 9.350 102 HD13 LEU 12 HD13 LEU 12 -0.375 -3.456 10.605 103 HD21 LEU 12 HD21 LEU 12 0.151 -6.972 9.254 104 HD22 LEU 12 HD22 LEU 12 -0.235 -7.161 10.967 105 HD23 LEU 12 HD23 LEU 12 1.429 -7.344 10.417 106 H ILE 13 H ILE 13 4.264 -4.044 11.129 107 HA ILE 13 HA ILE 13 3.269 -3.660 13.743 108 HB ILE 13 HB ILE 13 6.073 -4.073 12.625 109 HG12 ILE 13 HG12 ILE 13 4.302 -6.059 14.131 110 HG13 ILE 13 HG13 ILE 13 4.234 -5.885 12.385 111 HG21 ILE 13 HG21 ILE 13 6.826 -4.681 14.906 112 HG22 ILE 13 HG22 ILE 13 5.276 -4.147 15.557 113 HG23 ILE 13 HG23 ILE 13 6.360 -2.981 14.796 114 HD11 ILE 13 HD11 ILE 13 6.595 -6.772 14.005 115 HD12 ILE 13 HD12 ILE 13 6.569 -6.550 12.249 116 HD13 ILE 13 HD13 ILE 13 5.527 -7.764 13.002 117 H ARG 14 H ARG 14 5.209 -1.592 11.590 118 HA ARG 14 HA ARG 14 5.672 0.456 13.594 119 HB2 ARG 14 HB2 ARG 14 6.143 0.398 10.592 120 HB3 ARG 14 HB3 ARG 14 6.339 1.882 11.512 121 HG2 ARG 14 HG2 ARG 14 8.507 0.827 11.187 122 HG3 ARG 14 HG3 ARG 14 8.089 0.807 12.901 123 HD2 ARG 14 HD2 ARG 14 7.443 -1.543 12.744 124 HD3 ARG 14 HD3 ARG 14 7.729 -1.525 11.006 125 HE ARG 14 HE ARG 14 10.120 -0.807 12.221 126 HH11 ARG 14 HH11 ARG 14 8.029 -3.639 12.066 127 HH12 ARG 14 HH12 ARG 14 9.322 -4.755 12.356 128 HH21 ARG 14 HH21 ARG 14 11.801 -2.299 12.547 129 HH22 ARG 14 HH22 ARG 14 11.456 -3.995 12.599 130 H ARG 15 H ARG 15 3.155 -0.247 11.269 131 HA ARG 15 HA ARG 15 1.827 2.266 11.245 132 HB2 ARG 15 HB2 ARG 15 0.683 -0.534 10.845 133 HB3 ARG 15 HB3 ARG 15 -0.221 0.952 10.566 134 HG2 ARG 15 HG2 ARG 15 1.483 1.557 8.802 135 HG3 ARG 15 HG3 ARG 15 2.186 -0.048 9.019 136 HD2 ARG 15 HD2 ARG 15 0.686 -0.109 7.111 137 HD3 ARG 15 HD3 ARG 15 -0.038 -1.060 8.415 138 HE ARG 15 HE ARG 15 -1.072 1.488 8.695 139 HH11 ARG 15 HH11 ARG 15 -1.123 -0.906 6.113 140 HH12 ARG 15 HH12 ARG 15 -2.671 -0.395 5.518 141 HH21 ARG 15 HH21 ARG 15 -3.071 2.150 7.887 142 HH22 ARG 15 HH22 ARG 15 -3.771 1.342 6.524 143 H VAL 16 H VAL 16 1.492 -0.632 13.327 144 HA VAL 16 HA VAL 16 -0.745 0.392 14.790 145 HB VAL 16 HB VAL 16 -0.629 -1.487 16.260 146 HG11 VAL 16 HG11 VAL 16 -0.585 -3.412 14.717 147 HG12 VAL 16 HG12 VAL 16 0.251 -2.436 13.507 148 HG13 VAL 16 HG13 VAL 16 -1.395 -2.025 13.986 149 HG21 VAL 16 HG21 VAL 16 2.154 -2.129 15.240 150 HG22 VAL 16 HG22 VAL 16 1.234 -3.044 16.435 151 HG23 VAL 16 HG23 VAL 16 1.785 -1.416 16.810 152 H PHE 17 H PHE 17 2.782 0.314 15.442 153 HA PHE 17 HA PHE 17 2.645 1.462 18.046 154 HB2 PHE 17 HB2 PHE 17 4.915 1.064 16.068 155 HB3 PHE 17 HB3 PHE 17 5.180 2.010 17.529 156 HD1 PHE 17 HD2 PHE 17 4.716 0.899 19.797 157 HD2 PHE 17 HD1 PHE 17 5.009 -1.347 16.182 158 HE1 PHE 17 HE2 PHE 17 5.094 -1.157 21.089 159 HE2 PHE 17 HE1 PHE 17 5.371 -3.397 17.482 160 HZ PHE 17 HZ PHE 17 5.419 -3.301 19.936 161 H ALA 18 H ALA 18 2.757 2.856 14.814 162 HA ALA 18 HA ALA 18 3.072 5.596 15.586 163 HB1 ALA 18 HB1 ALA 18 2.271 6.119 13.316 164 HB2 ALA 18 HB2 ALA 18 1.761 4.440 13.098 165 HB3 ALA 18 HB3 ALA 18 3.473 4.827 13.281 166 H ALA 19 H ALA 19 0.320 3.410 15.413 167 HA ALA 19 HA ALA 19 -1.659 5.492 16.009 168 HB1 ALA 19 HB1 ALA 19 -2.227 3.707 14.397 169 HB2 ALA 19 HB2 ALA 19 -3.311 3.683 15.790 170 HB3 ALA 19 HB3 ALA 19 -2.010 2.496 15.664 171 H GLY 20 H GLY 20 0.562 3.976 17.884 172 HA2 GLY 20 HA2 GLY 20 0.819 3.944 20.179 173 HA3 GLY 20 HA3 GLY 20 -0.815 4.564 20.350 174 H GLY 21 H GLY 21 0.262 1.641 18.723 175 HA2 GLY 21 HA2 GLY 21 -1.112 -0.099 20.691 176 HA3 GLY 21 HA3 GLY 21 -1.338 -0.301 18.958 177 H PHE 22 H PHE 22 -0.501 -2.514 20.075 178 HA PHE 22 HA PHE 22 2.474 -2.601 19.964 179 HB2 PHE 22 HB2 PHE 22 1.595 -3.147 22.200 180 HB3 PHE 22 HB3 PHE 22 0.533 -4.369 21.525 181 HD1 PHE 22 HD1 PHE 22 4.121 -3.506 22.105 182 HD2 PHE 22 HD2 PHE 22 1.336 -6.618 21.169 183 HE1 PHE 22 HE1 PHE 22 5.883 -5.192 22.420 184 HE2 PHE 22 HE2 PHE 22 3.107 -8.296 21.487 185 HZ PHE 22 HZ PHE 22 5.380 -7.583 22.114 186 H ALA 23 H ALA 23 3.449 -4.423 18.940 187 HA ALA 23 HA ALA 23 1.858 -6.472 17.673 188 HB1 ALA 23 HB1 ALA 23 3.456 -4.565 15.938 189 HB2 ALA 23 HB2 ALA 23 1.707 -4.788 15.927 190 HB3 ALA 23 HB3 ALA 23 2.759 -6.093 15.384 191 H ALA 24 H ALA 24 3.128 -8.186 16.778 192 HA ALA 24 HA ALA 24 5.984 -8.295 16.957 193 HB1 ALA 24 HB1 ALA 24 5.489 -8.459 19.375 194 HB2 ALA 24 HB2 ALA 24 6.154 -9.976 18.765 195 HB3 ALA 24 HB3 ALA 24 4.420 -9.832 19.076 196 H VAL 25 H VAL 25 6.688 -9.921 15.633 197 HA VAL 25 HA VAL 25 4.728 -11.548 14.237 198 HB VAL 25 HB VAL 25 7.745 -11.804 13.891 199 HG11 VAL 25 HG11 VAL 25 5.459 -12.260 11.955 200 HG12 VAL 25 HG12 VAL 25 6.356 -13.520 12.809 201 HG13 VAL 25 HG13 VAL 25 7.175 -12.510 11.616 202 HG21 VAL 25 HG21 VAL 25 7.672 -10.098 12.127 203 HG22 VAL 25 HG22 VAL 25 7.320 -9.430 13.721 204 HG23 VAL 25 HG23 VAL 25 6.008 -9.717 12.578 205 H GLU 26 H GLU 26 3.977 -13.259 15.414 206 HA GLU 26 HA GLU 26 5.556 -14.785 17.274 207 HB2 GLU 26 HB2 GLU 26 2.836 -15.400 16.028 208 HB3 GLU 26 HB3 GLU 26 3.570 -16.287 17.370 209 HG2 GLU 26 HG2 GLU 26 3.579 -14.127 18.676 210 HG3 GLU 26 HG3 GLU 26 2.650 -13.396 17.365 211 H LYS 27 H LYS 27 4.144 -15.480 14.069 212 HA LYS 27 HA LYS 27 6.086 -17.693 13.678 213 HB2 LYS 27 HB2 LYS 27 3.725 -18.486 13.922 214 HB3 LYS 27 HB3 LYS 27 3.248 -17.461 12.571 215 HG2 LYS 27 HG2 LYS 27 4.702 -18.752 11.057 216 HG3 LYS 27 HG3 LYS 27 5.216 -19.769 12.402 217 HD2 LYS 27 HD2 LYS 27 2.798 -20.473 12.677 218 HD3 LYS 27 HD3 LYS 27 2.422 -19.572 11.203 219 HE2 LYS 27 HE2 LYS 27 4.198 -22.024 11.483 220 HE3 LYS 27 HE3 LYS 27 2.689 -21.882 10.576 221 HZ1 LYS 27 HZ1 LYS 27 3.829 -20.278 9.108 222 HZ2 LYS 27 HZ2 LYS 27 4.532 -21.814 9.078 223 HZ3 LYS 27 HZ3 LYS 27 5.276 -20.562 9.937 224 H LYS 28 H LYS 28 7.044 -17.853 11.690 225 HA LYS 28 HA LYS 28 6.625 -15.699 9.710 226 HB2 LYS 28 HB2 LYS 28 8.840 -15.449 10.648 227 HB3 LYS 28 HB3 LYS 28 9.175 -17.173 10.521 228 HG2 LYS 28 HG2 LYS 28 9.338 -17.058 8.127 229 HG3 LYS 28 HG3 LYS 28 8.692 -15.421 8.101 230 HD2 LYS 28 HD2 LYS 28 10.755 -14.607 9.224 231 HD3 LYS 28 HD3 LYS 28 11.406 -16.252 9.196 232 HE2 LYS 28 HE2 LYS 28 11.426 -16.251 6.750 233 HE3 LYS 28 HE3 LYS 28 10.596 -14.696 6.700 234 HZ1 LYS 28 HZ1 LYS 28 12.896 -14.368 6.292 235 HZ2 LYS 28 HZ2 LYS 28 13.333 -15.216 7.684 236 HZ3 LYS 28 HZ3 LYS 28 12.543 -13.728 7.817 237 H GLY 29 H GLY 29 6.474 -16.277 7.584 238 HA2 GLY 29 HA2 GLY 29 6.827 -19.102 6.749 239 HA3 GLY 29 HA3 GLY 29 5.460 -18.137 6.202 240 H ALA 30 H ALA 30 5.884 -17.910 4.025 241 HA ALA 30 HA ALA 30 8.564 -17.498 3.005 242 HB1 ALA 30 HB1 ALA 30 7.496 -17.518 0.777 243 HB2 ALA 30 HB2 ALA 30 5.901 -17.496 1.534 244 HB3 ALA 30 HB3 ALA 30 6.962 -18.886 1.756 245 H GLU 31 H GLU 31 9.344 -15.655 1.924 246 HA GLU 31 HA GLU 31 8.702 -13.196 3.185 247 HB2 GLU 31 HB2 GLU 31 10.538 -13.758 0.832 248 HB3 GLU 31 HB3 GLU 31 10.474 -12.236 1.721 249 HG2 GLU 31 HG2 GLU 31 11.264 -13.340 3.750 250 HG3 GLU 31 HG3 GLU 31 11.237 -14.915 2.936 251 H ALA 32 H ALA 32 8.575 -14.069 -0.314 252 HA ALA 32 HA ALA 32 7.042 -11.617 -0.880 253 HB1 ALA 32 HB1 ALA 32 9.017 -12.111 -2.272 254 HB2 ALA 32 HB2 ALA 32 7.544 -12.093 -3.244 255 HB3 ALA 32 HB3 ALA 32 8.286 -13.632 -2.793 256 H ALA 33 H ALA 33 6.734 -15.133 -1.097 257 HA ALA 33 HA ALA 33 4.064 -14.947 -2.355 258 HB1 ALA 33 HB1 ALA 33 4.424 -17.299 -2.973 259 HB2 ALA 33 HB2 ALA 33 5.944 -17.323 -2.073 260 HB3 ALA 33 HB3 ALA 33 5.780 -16.303 -3.505 261 H GLY 34 H GLY 34 4.916 -14.736 0.673 262 HA2 GLY 34 HA2 GLY 34 3.644 -17.050 1.896 263 HA3 GLY 34 HA3 GLY 34 4.412 -15.704 2.716 264 H ALA 35 H ALA 35 1.777 -17.074 3.095 265 HA ALA 35 HA ALA 35 -0.200 -14.969 2.777 266 HB1 ALA 35 HB1 ALA 35 -0.252 -17.534 4.425 267 HB2 ALA 35 HB2 ALA 35 -0.899 -17.336 2.797 268 HB3 ALA 35 HB3 ALA 35 -1.634 -16.469 4.146 269 H ILE 36 H ILE 36 -1.278 -14.105 4.863 270 HA ILE 36 HA ILE 36 0.550 -13.737 7.135 271 HB ILE 36 HB ILE 36 -0.814 -11.302 5.884 272 HG12 ILE 36 HG12 ILE 36 0.968 -12.076 4.299 273 HG13 ILE 36 HG13 ILE 36 1.296 -10.489 4.983 274 HG21 ILE 36 HG21 ILE 36 1.327 -11.523 8.041 275 HG22 ILE 36 HG22 ILE 36 -0.376 -11.138 8.291 276 HG23 ILE 36 HG23 ILE 36 0.659 -10.010 7.416 277 HD11 ILE 36 HD11 ILE 36 2.851 -11.580 6.584 278 HD12 ILE 36 HD12 ILE 36 3.317 -11.724 4.900 279 HD13 ILE 36 HD13 ILE 36 2.598 -13.098 5.729 280 H PHE 37 H PHE 37 -0.727 -14.382 8.788 281 HA PHE 37 HA PHE 37 -3.535 -13.489 8.904 282 HB2 PHE 37 HB2 PHE 37 -2.228 -16.028 9.956 283 HB3 PHE 37 HB3 PHE 37 -3.804 -15.479 10.528 284 HD1 PHE 37 HD1 PHE 37 -1.944 -16.537 7.483 285 HD2 PHE 37 HD2 PHE 37 -5.776 -15.800 9.212 286 HE1 PHE 37 HE1 PHE 37 -3.017 -17.501 5.500 287 HE2 PHE 37 HE2 PHE 37 -6.843 -16.768 7.227 288 HZ PHE 37 HZ PHE 37 -5.473 -17.617 5.371 289 H VAL 38 H VAL 38 -3.817 -11.881 10.217 290 HA VAL 38 HA VAL 38 -1.920 -11.339 12.423 291 HB VAL 38 HB VAL 38 -3.738 -9.352 10.957 292 HG11 VAL 38 HG11 VAL 38 -2.347 -7.614 12.038 293 HG12 VAL 38 HG12 VAL 38 -1.417 -8.864 12.868 294 HG13 VAL 38 HG13 VAL 38 -3.128 -8.640 13.246 295 HG21 VAL 38 HG21 VAL 38 -0.757 -9.815 10.546 296 HG22 VAL 38 HG22 VAL 38 -1.723 -8.549 9.784 297 HG23 VAL 38 HG23 VAL 38 -2.032 -10.244 9.399 298 H ARG 39 H ARG 39 -2.717 -11.322 14.436 299 HA ARG 39 HA ARG 39 -5.640 -11.511 14.882 300 HB2 ARG 39 HB2 ARG 39 -4.974 -12.771 16.995 301 HB3 ARG 39 HB3 ARG 39 -4.643 -13.596 15.475 302 HG2 ARG 39 HG2 ARG 39 -2.253 -12.886 15.642 303 HG3 ARG 39 HG3 ARG 39 -2.609 -12.158 17.211 304 HD2 ARG 39 HD2 ARG 39 -2.903 -15.102 16.521 305 HD3 ARG 39 HD3 ARG 39 -1.572 -14.380 17.429 306 HE ARG 39 HE ARG 39 -4.274 -14.003 18.480 307 HH11 ARG 39 HH11 ARG 39 -1.162 -15.593 18.852 308 HH12 ARG 39 HH12 ARG 39 -1.587 -16.292 20.383 309 HH21 ARG 39 HH21 ARG 39 -4.777 -14.853 20.478 310 HH22 ARG 39 HH22 ARG 39 -3.635 -15.861 21.307 311 H GLN 40 H GLN 40 -6.518 -9.858 15.945 312 HA GLN 40 HA GLN 40 -4.800 -7.833 17.240 313 HB2 GLN 40 HB2 GLN 40 -6.124 -6.945 15.403 314 HB3 GLN 40 HB3 GLN 40 -7.602 -7.653 16.055 315 HG2 GLN 40 HG2 GLN 40 -7.408 -6.144 18.035 316 HG3 GLN 40 HG3 GLN 40 -5.978 -5.411 17.311 317 HE21 GLN 40 HE21 GLN 40 -8.528 -4.223 18.073 318 HE22 GLN 40 HE22 GLN 40 -9.158 -3.474 16.648 319 H ARG 41 H ARG 41 -4.802 -7.838 19.431 320 HA ARG 41 HA ARG 41 -6.956 -8.980 20.993 321 HB2 ARG 41 HB2 ARG 41 -4.586 -9.143 21.751 322 HB3 ARG 41 HB3 ARG 41 -4.528 -7.391 21.915 323 HG2 ARG 41 HG2 ARG 41 -6.313 -7.500 23.642 324 HG3 ARG 41 HG3 ARG 41 -6.355 -9.256 23.477 325 HD2 ARG 41 HD2 ARG 41 -4.069 -9.420 24.313 326 HD3 ARG 41 HD3 ARG 41 -3.943 -7.658 24.391 327 HE ARG 41 HE ARG 41 -6.029 -8.017 25.964 328 HH11 ARG 41 HH11 ARG 41 -3.098 -9.938 25.927 329 HH12 ARG 41 HH12 ARG 41 -3.159 -10.274 27.625 330 HH21 ARG 41 HH21 ARG 41 -6.074 -8.421 28.176 331 HH22 ARG 41 HH22 ARG 41 -4.855 -9.418 28.896 332 H LEU 42 H LEU 42 -8.776 -7.856 21.165 333 HA LEU 42 HA LEU 42 -9.074 -5.027 21.075 334 HB2 LEU 42 HB2 LEU 42 -10.989 -7.250 21.868 335 HB3 LEU 42 HB3 LEU 42 -11.455 -5.561 21.949 336 HG LEU 42 HG LEU 42 -12.355 -6.500 19.930 337 HD11 LEU 42 HD11 LEU 42 -11.584 -4.197 19.762 338 HD12 LEU 42 HD12 LEU 42 -11.434 -5.033 18.220 339 HD13 LEU 42 HD13 LEU 42 -9.997 -4.742 19.205 340 HD21 LEU 42 HD21 LEU 42 -9.554 -7.377 19.188 341 HD22 LEU 42 HD22 LEU 42 -10.983 -7.498 18.158 342 HD23 LEU 42 HD23 LEU 42 -10.902 -8.419 19.658 343 H ARG 43 H ARG 43 -10.219 -3.880 22.761 344 HA ARG 43 HA ARG 43 -8.618 -3.373 24.939 345 HB2 ARG 43 HB2 ARG 43 -10.529 -1.912 25.696 346 HB3 ARG 43 HB3 ARG 43 -10.050 -1.688 24.016 347 HG2 ARG 43 HG2 ARG 43 -11.974 -3.106 23.291 348 HG3 ARG 43 HG3 ARG 43 -12.466 -3.275 24.982 349 HD2 ARG 43 HD2 ARG 43 -12.327 -0.675 23.402 350 HD3 ARG 43 HD3 ARG 43 -13.797 -1.556 23.834 351 HE ARG 43 HE ARG 43 -13.178 -1.140 26.211 352 HH11 ARG 43 HH11 ARG 43 -11.926 1.036 23.751 353 HH12 ARG 43 HH12 ARG 43 -11.770 2.366 24.853 354 HH21 ARG 43 HH21 ARG 43 -12.936 0.599 27.635 355 HH22 ARG 43 HH22 ARG 43 -12.327 2.116 27.053 356 H ASP 44 H ASP 44 -11.280 -5.691 24.776 357 HA ASP 44 HA ASP 44 -11.651 -5.676 27.696 358 HB2 ASP 44 HB2 ASP 44 -13.663 -6.941 27.301 359 HB3 ASP 44 HB3 ASP 44 -13.628 -5.616 26.149 360 H GLY 45 H GLY 45 -10.483 -7.764 25.101 361 HA2 GLY 45 HA2 GLY 45 -8.713 -9.392 26.220 362 HA3 GLY 45 HA3 GLY 45 -10.182 -10.095 26.879 363 H ARG 46 H ARG 46 -11.681 -9.372 24.377 364 HA ARG 46 HA ARG 46 -11.269 -11.843 22.998 365 HB2 ARG 46 HB2 ARG 46 -12.979 -9.429 22.275 366 HB3 ARG 46 HB3 ARG 46 -13.007 -10.957 21.400 367 HG2 ARG 46 HG2 ARG 46 -13.900 -10.422 24.248 368 HG3 ARG 46 HG3 ARG 46 -14.886 -10.957 22.880 369 HD2 ARG 46 HD2 ARG 46 -13.498 -13.089 22.851 370 HD3 ARG 46 HD3 ARG 46 -12.770 -12.546 24.375 371 HE ARG 46 HE ARG 46 -15.666 -12.635 24.409 372 HH11 ARG 46 HH11 ARG 46 -12.746 -14.447 25.094 373 HH12 ARG 46 HH12 ARG 46 -13.577 -15.713 25.936 374 HH21 ARG 46 HH21 ARG 46 -16.748 -14.286 25.532 375 HH22 ARG 46 HH22 ARG 46 -15.847 -15.592 26.225 376 H GLU 47 H GLU 47 -11.144 -11.827 20.523 377 HA GLU 47 HA GLU 47 -9.082 -9.999 19.552 378 HB2 GLU 47 HB2 GLU 47 -8.793 -13.030 19.633 379 HB3 GLU 47 HB3 GLU 47 -7.775 -11.980 18.648 380 HG2 GLU 47 HG2 GLU 47 -6.999 -10.846 20.728 381 HG3 GLU 47 HG3 GLU 47 -7.951 -11.991 21.679 382 H ASN 48 H ASN 48 -8.946 -9.820 17.365 383 HA ASN 48 HA ASN 48 -10.938 -11.180 15.657 384 HB2 ASN 48 HB2 ASN 48 -9.388 -8.579 15.332 385 HB3 ASN 48 HB3 ASN 48 -10.140 -9.365 13.954 386 HD21 ASN 48 HD21 ASN 48 -11.531 -9.168 17.205 387 HD22 ASN 48 HD22 ASN 48 -12.843 -8.150 16.755 388 H LEU 49 H LEU 49 -10.100 -11.748 13.476 389 HA LEU 49 HA LEU 49 -7.220 -12.270 13.302 390 HB2 LEU 49 HB2 LEU 49 -8.995 -14.336 13.851 391 HB3 LEU 49 HB3 LEU 49 -8.939 -14.411 12.107 392 HG LEU 49 HG LEU 49 -6.506 -14.560 13.920 393 HD11 LEU 49 HD11 LEU 49 -7.866 -16.523 14.249 394 HD12 LEU 49 HD12 LEU 49 -6.419 -16.956 13.343 395 HD13 LEU 49 HD13 LEU 49 -7.968 -16.793 12.511 396 HD21 LEU 49 HD21 LEU 49 -6.727 -15.006 10.927 397 HD22 LEU 49 HD22 LEU 49 -5.283 -15.310 11.900 398 HD23 LEU 49 HD23 LEU 49 -5.903 -13.670 11.736 399 H TYR 50 H TYR 50 -6.453 -12.022 11.263 400 HA TYR 50 HA TYR 50 -8.275 -11.138 9.121 401 HB2 TYR 50 HB2 TYR 50 -5.603 -9.820 9.857 402 HB3 TYR 50 HB3 TYR 50 -6.754 -9.271 8.635 403 HD1 TYR 50 HD1 TYR 50 -9.213 -8.795 9.565 404 HD2 TYR 50 HD2 TYR 50 -5.692 -8.750 11.980 405 HE1 TYR 50 HE1 TYR 50 -10.378 -7.441 11.234 406 HE2 TYR 50 HE2 TYR 50 -6.863 -7.380 13.648 407 HH TYR 50 HH TYR 50 -10.252 -6.866 13.569 408 H GLY 51 H GLY 51 -7.509 -11.645 7.014 409 HA2 GLY 51 HA2 GLY 51 -5.038 -13.226 6.732 410 HA3 GLY 51 HA3 GLY 51 -6.567 -14.003 6.328 411 HA PRO 52 HA PRO 52 -4.793 -11.407 2.691 412 HB2 PRO 52 HB2 PRO 52 -4.337 -14.051 1.353 413 HB3 PRO 52 HB3 PRO 52 -3.260 -12.652 1.474 414 HG2 PRO 52 HG2 PRO 52 -2.782 -14.883 2.892 415 HG3 PRO 52 HG3 PRO 52 -2.457 -13.275 3.577 416 HD2 PRO 52 HD2 PRO 52 -4.832 -15.092 4.062 417 HD3 PRO 52 HD3 PRO 52 -3.855 -14.170 5.232 418 H ALA 53 H ALA 53 -6.438 -10.669 1.510 419 HA ALA 53 HA ALA 53 -8.852 -12.241 1.063 420 HB1 ALA 53 HB1 ALA 53 -9.057 -9.924 1.853 421 HB2 ALA 53 HB2 ALA 53 -9.825 -10.122 0.278 422 HB3 ALA 53 HB3 ALA 53 -8.246 -9.332 0.401 423 HA PRO 54 HA PRO 54 -7.988 -13.036 -3.340 424 HB2 PRO 54 HB2 PRO 54 -10.574 -13.078 -4.323 425 HB3 PRO 54 HB3 PRO 54 -9.848 -14.429 -3.442 426 HG2 PRO 54 HG2 PRO 54 -11.697 -12.276 -2.429 427 HG3 PRO 54 HG3 PRO 54 -11.730 -14.022 -2.101 428 HD2 PRO 54 HD2 PRO 54 -10.691 -12.253 -0.328 429 HD3 PRO 54 HD3 PRO 54 -10.018 -13.884 -0.512 430 H GLN 55 H GLN 55 -6.920 -11.109 -3.809 431 HA GLN 55 HA GLN 55 -8.111 -8.596 -4.293 432 HB2 GLN 55 HB2 GLN 55 -5.696 -8.835 -3.906 433 HB3 GLN 55 HB3 GLN 55 -5.516 -9.776 -5.378 434 HG2 GLN 55 HG2 GLN 55 -4.707 -7.508 -5.723 435 HG3 GLN 55 HG3 GLN 55 -6.123 -7.806 -6.730 436 HE21 GLN 55 HE21 GLN 55 -6.584 -5.594 -6.948 437 HE22 GLN 55 HE22 GLN 55 -7.177 -4.628 -5.642 438 H SER 56 H SER 56 -9.697 -8.351 -5.702 439 HA SER 56 HA SER 56 -10.235 -9.868 -8.010 440 HB2 SER 56 HB2 SER 56 -11.944 -8.498 -6.814 441 HB3 SER 56 HB3 SER 56 -11.144 -7.026 -7.357 442 HG SER 56 HG SER 56 -12.451 -8.980 -8.946 443 H PHE 57 H PHE 57 -8.508 -10.027 -9.374 444 HA PHE 57 HA PHE 57 -7.048 -7.696 -10.291 445 HB2 PHE 57 HB2 PHE 57 -5.745 -9.410 -11.679 446 HB3 PHE 57 HB3 PHE 57 -5.618 -9.545 -9.934 447 HD1 PHE 57 HD1 PHE 57 -7.015 -11.143 -12.984 448 HD2 PHE 57 HD2 PHE 57 -6.447 -11.478 -8.760 449 HE1 PHE 57 HE1 PHE 57 -7.606 -13.528 -13.086 450 HE2 PHE 57 HE2 PHE 57 -7.035 -13.853 -8.869 451 HZ PHE 57 HZ PHE 57 -7.615 -14.888 -11.033 452 H ALA 58 H ALA 58 -7.312 -6.668 -12.121 453 HA ALA 58 HA ALA 58 -9.355 -7.515 -14.072 454 HB1 ALA 58 HB1 ALA 58 -7.937 -4.836 -13.698 455 HB2 ALA 58 HB2 ALA 58 -9.576 -5.227 -13.173 456 HB3 ALA 58 HB3 ALA 58 -9.194 -5.172 -14.894 457 H ASP 59 H ASP 59 -8.364 -8.948 -15.391 458 HA ASP 59 HA ASP 59 -7.152 -9.788 -17.100 459 HB2 ASP 59 HB2 ASP 59 -7.441 -7.452 -18.052 460 HB3 ASP 59 HB3 ASP 59 -5.892 -7.011 -17.356 461 H ASP 60 H ASP 60 -6.272 -9.972 -14.357 462 HA ASP 60 HA ASP 60 -4.626 -10.879 -13.095 463 HB2 ASP 60 HB2 ASP 60 -3.151 -11.335 -15.728 464 HB3 ASP 60 HB3 ASP 60 -2.727 -12.072 -14.189 465 H GLU 61 H GLU 61 -4.483 -7.953 -14.067 466 HA GLU 61 HA GLU 61 -1.671 -7.334 -14.087 467 HB2 GLU 61 HB2 GLU 61 -4.119 -5.545 -13.903 468 HB3 GLU 61 HB3 GLU 61 -2.456 -4.963 -14.070 469 HG2 GLU 61 HG2 GLU 61 -2.290 -6.313 -16.209 470 HG3 GLU 61 HG3 GLU 61 -4.015 -6.647 -16.061 471 H ASP 62 H ASP 62 -4.326 -7.044 -11.717 472 HA ASP 62 HA ASP 62 -2.960 -5.617 -9.700 473 HB2 ASP 62 HB2 ASP 62 -5.291 -7.553 -9.411 474 HB3 ASP 62 HB3 ASP 62 -4.727 -6.477 -8.135 475 H ILE 63 H ILE 63 -2.508 -8.860 -10.653 476 HA ILE 63 HA ILE 63 -1.592 -10.106 -8.295 477 HB ILE 63 HB ILE 63 -0.539 -10.528 -11.140 478 HG12 ILE 63 HG12 ILE 63 -2.976 -10.795 -11.156 479 HG13 ILE 63 HG13 ILE 63 -2.227 -12.378 -11.323 480 HG21 ILE 63 HG21 ILE 63 -0.456 -12.407 -8.748 481 HG22 ILE 63 HG22 ILE 63 0.920 -11.588 -9.488 482 HG23 ILE 63 HG23 ILE 63 0.044 -12.822 -10.391 483 HD11 ILE 63 HD11 ILE 63 -3.459 -11.226 -8.830 484 HD12 ILE 63 HD12 ILE 63 -2.669 -12.803 -8.946 485 HD13 ILE 63 HD13 ILE 63 -4.131 -12.475 -9.876 486 H MET 64 H MET 64 -0.028 -7.989 -10.634 487 HA MET 64 HA MET 64 2.482 -7.865 -9.056 488 HB2 MET 64 HB2 MET 64 3.668 -7.521 -11.196 489 HB3 MET 64 HB3 MET 64 2.775 -9.034 -11.212 490 HG2 MET 64 HG2 MET 64 0.938 -7.812 -12.480 491 HG3 MET 64 HG3 MET 64 2.066 -6.467 -12.640 492 HE1 MET 64 HE1 MET 64 1.243 -10.167 -13.617 493 HE2 MET 64 HE2 MET 64 2.774 -10.375 -12.764 494 HE3 MET 64 HE3 MET 64 2.689 -10.652 -14.504 495 H ARG 65 H ARG 65 -0.225 -6.098 -10.010 496 HA ARG 65 HA ARG 65 1.191 -3.485 -9.864 497 HB2 ARG 65 HB2 ARG 65 -1.370 -4.076 -11.418 498 HB3 ARG 65 HB3 ARG 65 -0.546 -2.521 -11.324 499 HG2 ARG 65 HG2 ARG 65 0.509 -5.044 -12.648 500 HG3 ARG 65 HG3 ARG 65 -0.115 -3.613 -13.473 501 HD2 ARG 65 HD2 ARG 65 2.381 -3.713 -11.729 502 HD3 ARG 65 HD3 ARG 65 2.361 -3.703 -13.495 503 HE ARG 65 HE ARG 65 0.956 -1.452 -12.687 504 HH11 ARG 65 HH11 ARG 65 4.248 -2.619 -12.300 505 HH12 ARG 65 HH12 ARG 65 4.934 -1.026 -12.315 506 HH21 ARG 65 HH21 ARG 65 1.867 0.611 -12.709 507 HH22 ARG 65 HH22 ARG 65 3.581 0.800 -12.533 508 H ALA 66 H ALA 66 -0.531 -5.443 -8.004 509 HA ALA 66 HA ALA 66 -1.311 -3.233 -6.274 510 HB1 ALA 66 HB1 ALA 66 -3.309 -5.434 -6.950 511 HB2 ALA 66 HB2 ALA 66 -3.436 -3.748 -7.450 512 HB3 ALA 66 HB3 ALA 66 -3.531 -4.167 -5.739 513 H GLU 67 H GLU 67 -1.389 -3.849 -4.097 514 HA GLU 67 HA GLU 67 0.393 -6.015 -3.408 515 HB2 GLU 67 HB2 GLU 67 0.312 -5.150 -1.113 516 HB3 GLU 67 HB3 GLU 67 0.653 -3.866 -2.264 517 HG2 GLU 67 HG2 GLU 67 -2.097 -4.364 -1.071 518 HG3 GLU 67 HG3 GLU 67 -0.908 -3.271 -0.368 519 H ARG 68 H ARG 68 -0.241 -7.278 -1.300 520 HA ARG 68 HA ARG 68 -2.809 -8.573 -1.626 521 HB2 ARG 68 HB2 ARG 68 -2.101 -10.042 0.229 522 HB3 ARG 68 HB3 ARG 68 -0.872 -9.952 -1.022 523 HG2 ARG 68 HG2 ARG 68 0.446 -8.388 0.401 524 HG3 ARG 68 HG3 ARG 68 -0.788 -8.518 1.657 525 HD2 ARG 68 HD2 ARG 68 1.024 -9.982 2.259 526 HD3 ARG 68 HD3 ARG 68 -0.334 -10.998 1.765 527 HE ARG 68 HE ARG 68 2.174 -10.532 0.281 528 HH11 ARG 68 HH11 ARG 68 -0.855 -12.319 0.484 529 HH12 ARG 68 HH12 ARG 68 -0.353 -13.529 -0.646 530 HH21 ARG 68 HH21 ARG 68 2.831 -12.139 -1.173 531 HH22 ARG 68 HH22 ARG 68 1.741 -13.422 -1.589 532 H ARG 69 H ARG 69 -4.524 -7.364 -1.022 533 HA ARG 69 HA ARG 69 -4.533 -5.869 1.498 534 HB2 ARG 69 HB2 ARG 69 -5.532 -4.875 -0.581 535 HB3 ARG 69 HB3 ARG 69 -6.708 -6.184 -0.623 536 HG2 ARG 69 HG2 ARG 69 -7.797 -5.417 1.359 537 HG3 ARG 69 HG3 ARG 69 -6.494 -4.282 1.730 538 HD2 ARG 69 HD2 ARG 69 -8.617 -3.272 0.731 539 HD3 ARG 69 HD3 ARG 69 -7.102 -2.834 -0.072 540 HE ARG 69 HE ARG 69 -8.394 -5.142 -1.234 541 HH11 ARG 69 HH11 ARG 69 -8.435 -1.641 -1.277 542 HH12 ARG 69 HH12 ARG 69 -8.962 -1.547 -2.920 543 HH21 ARG 69 HH21 ARG 69 -9.067 -5.012 -3.379 544 HH22 ARG 69 HH22 ARG 69 -9.311 -3.461 -4.120 545 H PHE 70 H PHE 70 -6.105 -6.416 3.132 546 HA PHE 70 HA PHE 70 -6.284 -9.349 3.404 547 HB2 PHE 70 HB2 PHE 70 -6.101 -7.099 5.454 548 HB3 PHE 70 HB3 PHE 70 -6.460 -8.764 5.897 549 HD1 PHE 70 HD1 PHE 70 -3.942 -7.428 3.430 550 HD2 PHE 70 HD2 PHE 70 -4.617 -9.480 7.121 551 HE1 PHE 70 HE1 PHE 70 -1.542 -7.881 3.621 552 HE2 PHE 70 HE2 PHE 70 -2.215 -9.924 7.296 553 HZ PHE 70 HZ PHE 70 -0.680 -9.123 5.552 554 H GLU 71 H GLU 71 -7.992 -9.992 5.012 555 HA GLU 71 HA GLU 71 -10.523 -8.521 4.937 556 HB2 GLU 71 HB2 GLU 71 -11.765 -10.629 4.509 557 HB3 GLU 71 HB3 GLU 71 -10.715 -10.229 3.154 558 HG2 GLU 71 HG2 GLU 71 -9.102 -11.919 3.813 559 HG3 GLU 71 HG3 GLU 71 -9.981 -12.240 5.307 560 H THR 72 H THR 72 -12.015 -9.583 6.615 561 HA THR 72 HA THR 72 -10.481 -10.124 9.056 562 HB THR 72 HB THR 72 -13.446 -9.425 8.783 563 HG1 THR 72 HG1 THR 72 -12.874 -7.343 9.035 564 HG21 THR 72 HG21 THR 72 -13.275 -8.789 11.159 565 HG22 THR 72 HG22 THR 72 -11.579 -9.276 11.183 566 HG23 THR 72 HG23 THR 72 -12.841 -10.489 10.952 567 H ARG 73 H ARG 73 -10.114 -12.300 9.250 568 HA ARG 73 HA ARG 73 -11.825 -14.390 8.327 569 HB2 ARG 73 HB2 ARG 73 -9.437 -14.334 10.218 570 HB3 ARG 73 HB3 ARG 73 -10.322 -15.823 9.910 571 HG2 ARG 73 HG2 ARG 73 -8.924 -14.180 7.764 572 HG3 ARG 73 HG3 ARG 73 -8.237 -15.592 8.572 573 HD2 ARG 73 HD2 ARG 73 -10.393 -16.824 7.732 574 HD3 ARG 73 HD3 ARG 73 -10.540 -15.466 6.608 575 HE ARG 73 HE ARG 73 -8.339 -17.454 6.716 576 HH11 ARG 73 HH11 ARG 73 -10.000 -14.932 4.916 577 HH12 ARG 73 HH12 ARG 73 -9.173 -15.294 3.440 578 HH21 ARG 73 HH21 ARG 73 -7.276 -17.903 4.772 579 HH22 ARG 73 HH22 ARG 73 -7.633 -16.966 3.354 580 H LEU 74 H LEU 74 -10.989 -13.311 11.653 581 HA LEU 74 HA LEU 74 -13.658 -14.206 12.632 582 HB2 LEU 74 HB2 LEU 74 -10.955 -14.319 14.032 583 HB3 LEU 74 HB3 LEU 74 -12.489 -14.710 14.796 584 HG LEU 74 HG LEU 74 -11.335 -16.238 12.422 585 HD11 LEU 74 HD11 LEU 74 -10.770 -18.019 14.008 586 HD12 LEU 74 HD12 LEU 74 -11.293 -17.007 15.358 587 HD13 LEU 74 HD13 LEU 74 -9.901 -16.532 14.382 588 HD21 LEU 74 HD21 LEU 74 -13.680 -16.888 14.247 589 HD22 LEU 74 HD22 LEU 74 -13.051 -17.928 12.964 590 HD23 LEU 74 HD23 LEU 74 -13.781 -16.377 12.559 591 H ALA 75 H ALA 75 -14.444 -13.002 14.540 592 HA ALA 75 HA ALA 75 -13.254 -10.384 15.066 593 HB1 ALA 75 HB1 ALA 75 -14.705 -9.969 13.108 594 HB2 ALA 75 HB2 ALA 75 -15.317 -9.147 14.544 595 HB3 ALA 75 HB3 ALA 75 -16.089 -10.632 13.980 596 H GLY 76 H GLY 76 -13.192 -10.272 17.220 597 HA2 GLY 76 HA2 GLY 76 -13.936 -9.976 19.369 598 HA3 GLY 76 HA3 GLY 76 -15.579 -10.188 18.792 599 H VAL 77 H VAL 77 -13.074 -12.579 18.358 600 HA VAL 77 HA VAL 77 -14.396 -14.434 20.250 601 HB VAL 77 HB VAL 77 -13.600 -16.281 18.807 602 HG11 VAL 77 HG11 VAL 77 -15.847 -15.366 18.345 603 HG12 VAL 77 HG12 VAL 77 -15.090 -15.925 16.853 604 HG13 VAL 77 HG13 VAL 77 -15.156 -14.198 17.214 605 HG21 VAL 77 HG21 VAL 77 -11.554 -15.267 17.886 606 HG22 VAL 77 HG22 VAL 77 -12.510 -14.102 16.968 607 HG23 VAL 77 HG23 VAL 77 -12.587 -15.820 16.564 608 H GLU 78 H GLU 78 -12.991 -15.835 21.475 609 HA GLU 78 HA GLU 78 -10.640 -14.498 22.417 610 HB2 GLU 78 HB2 GLU 78 -10.472 -16.368 24.049 611 HB3 GLU 78 HB3 GLU 78 -12.068 -15.623 24.022 612 HG2 GLU 78 HG2 GLU 78 -12.932 -17.493 22.674 613 HG3 GLU 78 HG3 GLU 78 -11.325 -18.229 22.661 614 H GLY 79 H GLY 79 -8.631 -15.823 22.899 615 HA2 GLY 79 HA2 GLY 79 -7.201 -16.303 20.554 616 HA3 GLY 79 HA3 GLY 79 -6.677 -16.714 22.176 617 H GLU 80 H GLU 80 -9.125 -18.563 22.389 618 HA GLU 80 HA GLU 80 -7.966 -20.987 21.495 619 HB2 GLU 80 HB2 GLU 80 -9.673 -20.875 23.337 620 HB3 GLU 80 HB3 GLU 80 -10.911 -20.475 22.147 621 HG2 GLU 80 HG2 GLU 80 -10.342 -22.691 21.002 622 HG3 GLU 80 HG3 GLU 80 -9.360 -23.071 22.412 623 H GLU 81 H GLU 81 -10.687 -19.048 20.241 624 HA GLU 81 HA GLU 81 -11.221 -20.598 17.921 625 HB2 GLU 81 HB2 GLU 81 -11.912 -17.738 18.679 626 HB3 GLU 81 HB3 GLU 81 -12.473 -18.486 17.183 627 HG2 GLU 81 HG2 GLU 81 -13.094 -19.477 19.992 628 HG3 GLU 81 HG3 GLU 81 -14.177 -18.527 18.969 629 H ILE 82 H ILE 82 -9.191 -17.788 18.535 630 HA ILE 82 HA ILE 82 -8.400 -17.168 15.918 631 HB ILE 82 HB ILE 82 -6.803 -16.904 18.508 632 HG12 ILE 82 HG12 ILE 82 -8.930 -15.671 18.632 633 HG13 ILE 82 HG13 ILE 82 -7.597 -14.532 18.506 634 HG21 ILE 82 HG21 ILE 82 -5.472 -15.171 17.337 635 HG22 ILE 82 HG22 ILE 82 -6.321 -15.538 15.833 636 HG23 ILE 82 HG23 ILE 82 -5.293 -16.758 16.585 637 HD11 ILE 82 HD11 ILE 82 -9.487 -15.331 16.295 638 HD12 ILE 82 HD12 ILE 82 -8.116 -14.231 16.116 639 HD13 ILE 82 HD13 ILE 82 -9.458 -13.805 17.176 640 H ALA 83 H ALA 83 -6.742 -19.214 18.329 641 HA ALA 83 HA ALA 83 -4.729 -20.241 16.625 642 HB1 ALA 83 HB1 ALA 83 -4.303 -21.843 18.438 643 HB2 ALA 83 HB2 ALA 83 -5.840 -21.407 19.195 644 HB3 ALA 83 HB3 ALA 83 -4.545 -20.214 19.076 645 H ALA 84 H ALA 84 -8.038 -21.184 17.195 646 HA ALA 84 HA ALA 84 -7.960 -23.843 16.182 647 HB1 ALA 84 HB1 ALA 84 -10.408 -23.701 16.083 648 HB2 ALA 84 HB2 ALA 84 -10.333 -21.952 16.327 649 HB3 ALA 84 HB3 ALA 84 -9.805 -23.044 17.606 650 H LEU 85 H LEU 85 -8.466 -20.660 14.622 651 HA LEU 85 HA LEU 85 -8.853 -21.856 12.002 652 HB2 LEU 85 HB2 LEU 85 -9.874 -19.647 12.533 653 HB3 LEU 85 HB3 LEU 85 -8.270 -18.954 12.675 654 HG LEU 85 HG LEU 85 -8.330 -20.255 10.115 655 HD11 LEU 85 HD11 LEU 85 -10.156 -19.212 8.937 656 HD12 LEU 85 HD12 LEU 85 -10.826 -18.627 10.465 657 HD13 LEU 85 HD13 LEU 85 -10.691 -20.365 10.158 658 HD21 LEU 85 HD21 LEU 85 -8.377 -17.301 10.759 659 HD22 LEU 85 HD22 LEU 85 -8.020 -18.007 9.178 660 HD23 LEU 85 HD23 LEU 85 -6.959 -18.344 10.546 661 H LEU 86 H LEU 86 -6.217 -20.258 13.772 662 HA LEU 86 HA LEU 86 -4.330 -19.971 11.734 663 HB2 LEU 86 HB2 LEU 86 -3.874 -20.496 14.695 664 HB3 LEU 86 HB3 LEU 86 -2.582 -20.078 13.579 665 HG LEU 86 HG LEU 86 -4.946 -18.287 14.280 666 HD11 LEU 86 HD11 LEU 86 -3.400 -18.510 16.156 667 HD12 LEU 86 HD12 LEU 86 -3.315 -16.893 15.464 668 HD13 LEU 86 HD13 LEU 86 -2.039 -18.065 15.121 669 HD21 LEU 86 HD21 LEU 86 -4.213 -17.899 11.973 670 HD22 LEU 86 HD22 LEU 86 -2.544 -17.698 12.513 671 HD23 LEU 86 HD23 LEU 86 -3.779 -16.535 13.002 672 H GLU 87 H GLU 87 -5.237 -22.807 13.600 673 HA GLU 87 HA GLU 87 -3.032 -24.462 12.845 674 HB2 GLU 87 HB2 GLU 87 -4.085 -26.216 14.009 675 HB3 GLU 87 HB3 GLU 87 -4.608 -24.782 14.864 676 HG2 GLU 87 HG2 GLU 87 -6.660 -25.747 14.747 677 HG3 GLU 87 HG3 GLU 87 -6.696 -25.053 13.139 678 H ARG 88 H ARG 88 -6.158 -23.714 11.428 679 HA ARG 88 HA ARG 88 -6.240 -25.903 9.578 680 HB2 ARG 88 HB2 ARG 88 -7.760 -23.256 9.447 681 HB3 ARG 88 HB3 ARG 88 -8.192 -24.761 8.631 682 HG2 ARG 88 HG2 ARG 88 -8.647 -25.828 10.788 683 HG3 ARG 88 HG3 ARG 88 -8.119 -24.374 11.636 684 HD2 ARG 88 HD2 ARG 88 -10.460 -24.242 11.675 685 HD3 ARG 88 HD3 ARG 88 -9.998 -23.151 10.369 686 HE ARG 88 HE ARG 88 -10.465 -25.527 9.102 687 HH11 ARG 88 HH11 ARG 88 -12.366 -23.461 11.202 688 HH12 ARG 88 HH12 ARG 88 -13.886 -24.014 10.578 689 HH21 ARG 88 HH21 ARG 88 -12.467 -26.275 8.303 690 HH22 ARG 88 HH22 ARG 88 -13.942 -25.609 8.931 691 H GLU 89 H GLU 89 -5.437 -22.462 9.389 692 HA GLU 89 HA GLU 89 -5.001 -22.379 6.568 693 HB2 GLU 89 HB2 GLU 89 -4.168 -20.364 8.699 694 HB3 GLU 89 HB3 GLU 89 -4.306 -20.058 6.963 695 HG2 GLU 89 HG2 GLU 89 -6.587 -20.776 8.839 696 HG3 GLU 89 HG3 GLU 89 -6.212 -19.166 8.246 697 H ARG 90 H ARG 90 -2.893 -22.706 9.403 698 HA ARG 90 HA ARG 90 -0.416 -22.621 7.936 699 HB2 ARG 90 HB2 ARG 90 0.714 -23.240 9.919 700 HB3 ARG 90 HB3 ARG 90 -0.658 -22.278 10.452 701 HG2 ARG 90 HG2 ARG 90 -1.864 -24.437 10.987 702 HG3 ARG 90 HG3 ARG 90 -0.366 -25.297 10.619 703 HD2 ARG 90 HD2 ARG 90 0.787 -24.040 12.404 704 HD3 ARG 90 HD3 ARG 90 -0.714 -23.178 12.762 705 HE ARG 90 HE ARG 90 -0.811 -26.096 12.923 706 HH11 ARG 90 HH11 ARG 90 -0.519 -23.097 14.699 707 HH12 ARG 90 HH12 ARG 90 -0.973 -23.806 16.211 708 HH21 ARG 90 HH21 ARG 90 -1.404 -27.026 14.908 709 HH22 ARG 90 HH22 ARG 90 -1.482 -26.031 16.326 710 H ARG 91 H ARG 91 -2.702 -25.160 8.653 711 HA ARG 91 HA ARG 91 -1.186 -27.459 8.093 712 HB2 ARG 91 HB2 ARG 91 -3.376 -27.523 9.200 713 HB3 ARG 91 HB3 ARG 91 -4.164 -26.895 7.768 714 HG2 ARG 91 HG2 ARG 91 -2.737 -29.551 7.625 715 HG3 ARG 91 HG3 ARG 91 -4.321 -29.457 8.389 716 HD2 ARG 91 HD2 ARG 91 -5.223 -28.478 6.250 717 HD3 ARG 91 HD3 ARG 91 -3.642 -28.758 5.509 718 HE ARG 91 HE ARG 91 -4.818 -31.098 6.729 719 HH11 ARG 91 HH11 ARG 91 -4.554 -29.294 3.723 720 HH12 ARG 91 HH12 ARG 91 -5.102 -30.618 2.750 721 HH21 ARG 91 HH21 ARG 91 -5.542 -32.791 5.437 722 HH22 ARG 91 HH22 ARG 91 -5.663 -32.585 3.723 723 H PHE 92 H PHE 92 -3.237 -25.447 5.979 724 HA PHE 92 HA PHE 92 -2.607 -26.837 3.554 725 HB2 PHE 92 HB2 PHE 92 -3.945 -24.148 4.097 726 HB3 PHE 92 HB3 PHE 92 -3.745 -24.813 2.479 727 HD1 PHE 92 HD1 PHE 92 -4.829 -27.034 1.913 728 HD2 PHE 92 HD2 PHE 92 -5.737 -24.916 5.507 729 HE1 PHE 92 HE1 PHE 92 -6.864 -28.376 2.199 730 HE2 PHE 92 HE2 PHE 92 -7.773 -26.257 5.783 731 HZ PHE 92 HZ PHE 92 -8.336 -27.994 4.131 732 H ASP 93 H ASP 93 -1.640 -23.633 4.849 733 HA ASP 93 HA ASP 93 0.888 -23.795 3.324 734 HB2 ASP 93 HB2 ASP 93 -0.969 -21.371 3.394 735 HB3 ASP 93 HB3 ASP 93 0.688 -21.331 2.795 736 H SER 94 H SER 94 2.158 -24.144 5.065 737 HA SER 94 HA SER 94 2.150 -22.616 7.483 738 HB2 SER 94 HB2 SER 94 3.157 -24.909 7.299 739 HB3 SER 94 HB3 SER 94 4.434 -24.248 6.279 740 HG SER 94 HG SER 94 5.194 -24.312 8.371 741 H ASP 95 H ASP 95 2.898 -21.711 4.364 742 HA ASP 95 HA ASP 95 5.027 -19.860 4.728 743 HB2 ASP 95 HB2 ASP 95 2.779 -19.826 2.668 744 HB3 ASP 95 HB3 ASP 95 4.304 -18.947 2.556 745 H LEU 96 H LEU 96 2.028 -19.786 6.210 746 HA LEU 96 HA LEU 96 1.463 -16.994 5.970 747 HB2 LEU 96 HB2 LEU 96 -0.356 -17.299 7.383 748 HB3 LEU 96 HB3 LEU 96 -0.248 -18.835 6.547 749 HG LEU 96 HG LEU 96 0.755 -18.329 9.372 750 HD11 LEU 96 HD11 LEU 96 -1.775 -19.758 8.513 751 HD12 LEU 96 HD12 LEU 96 -1.692 -18.156 9.253 752 HD13 LEU 96 HD13 LEU 96 -1.179 -19.573 10.169 753 HD21 LEU 96 HD21 LEU 96 0.943 -20.750 9.568 754 HD22 LEU 96 HD22 LEU 96 1.992 -20.119 8.302 755 HD23 LEU 96 HD23 LEU 96 0.486 -20.934 7.873 756 H TRP 97 H TRP 97 1.856 -15.379 7.409 757 HA TRP 97 HA TRP 97 3.765 -15.834 9.628 758 HB2 TRP 97 HB2 TRP 97 2.885 -13.278 8.191 759 HB3 TRP 97 HB3 TRP 97 3.991 -13.323 9.560 760 HD1 TRP 97 HD1 TRP 97 3.967 -15.221 6.120 761 HE1 TRP 97 HE1 TRP 97 6.311 -14.975 5.117 762 HE3 TRP 97 HE3 TRP 97 6.102 -12.352 9.746 763 HZ2 TRP 97 HZ2 TRP 97 8.743 -13.710 5.748 764 HZ3 TRP 97 HZ3 TRP 97 8.443 -11.646 9.483 765 HH2 TRP 97 HH2 TRP 97 9.736 -12.312 7.520 766 H VAL 98 H VAL 98 2.899 -15.808 11.650 767 HA VAL 98 HA VAL 98 0.196 -14.678 12.039 768 HB VAL 98 HB VAL 98 1.798 -16.486 13.903 769 HG11 VAL 98 HG11 VAL 98 0.289 -14.999 15.167 770 HG12 VAL 98 HG12 VAL 98 -0.310 -16.658 15.213 771 HG13 VAL 98 HG13 VAL 98 -1.070 -15.477 14.142 772 HG21 VAL 98 HG21 VAL 98 -0.605 -17.151 12.139 773 HG22 VAL 98 HG22 VAL 98 0.161 -18.251 13.289 774 HG23 VAL 98 HG23 VAL 98 1.056 -17.695 11.873 775 H VAL 99 H VAL 99 0.156 -12.658 12.713 776 HA VAL 99 HA VAL 99 2.402 -11.555 14.330 777 HB VAL 99 HB VAL 99 0.535 -9.827 12.650 778 HG11 VAL 99 HG11 VAL 99 2.378 -8.194 12.720 779 HG12 VAL 99 HG12 VAL 99 3.358 -9.327 13.655 780 HG13 VAL 99 HG13 VAL 99 1.874 -8.666 14.347 781 HG21 VAL 99 HG21 VAL 99 2.133 -9.841 10.786 782 HG22 VAL 99 HG22 VAL 99 1.513 -11.469 11.079 783 HG23 VAL 99 HG23 VAL 99 3.133 -11.026 11.631 784 H GLU 100 H GLU 100 1.748 -11.292 16.400 785 HA GLU 100 HA GLU 100 -1.058 -10.850 17.045 786 HB2 GLU 100 HB2 GLU 100 -0.358 -10.955 19.396 787 HB3 GLU 100 HB3 GLU 100 0.215 -12.358 18.507 788 HG2 GLU 100 HG2 GLU 100 2.483 -11.466 18.467 789 HG3 GLU 100 HG3 GLU 100 1.946 -9.963 19.211 790 H ILE 101 H ILE 101 -1.727 -8.850 16.549 791 HA ILE 101 HA ILE 101 -0.207 -6.522 17.560 792 HB ILE 101 HB ILE 101 -1.649 -5.078 16.200 793 HG12 ILE 101 HG12 ILE 101 -3.004 -7.584 15.102 794 HG13 ILE 101 HG13 ILE 101 -3.730 -6.525 16.293 795 HG21 ILE 101 HG21 ILE 101 -0.897 -5.751 13.931 796 HG22 ILE 101 HG22 ILE 101 -0.518 -7.367 14.534 797 HG23 ILE 101 HG23 ILE 101 0.379 -5.972 15.128 798 HD11 ILE 101 HD11 ILE 101 -2.983 -5.761 13.481 799 HD12 ILE 101 HD12 ILE 101 -3.699 -4.683 14.684 800 HD13 ILE 101 HD13 ILE 101 -4.605 -6.078 14.098 801 H GLU 102 H GLU 102 -1.565 -4.844 18.642 802 HA GLU 102 HA GLU 102 -3.768 -5.908 20.264 803 HB2 GLU 102 HB2 GLU 102 -1.644 -6.574 21.399 804 HB3 GLU 102 HB3 GLU 102 -1.133 -4.897 21.447 805 HG2 GLU 102 HG2 GLU 102 -3.693 -5.759 22.812 806 HG3 GLU 102 HG3 GLU 102 -2.136 -6.045 23.584 807 H THR 103 H THR 103 -5.260 -4.408 19.968 808 HA THR 103 HA THR 103 -4.965 -1.623 20.434 809 HB THR 103 HB THR 103 -3.715 -1.526 18.336 810 HG1 THR 103 HG1 THR 103 -5.827 -0.511 17.076 811 HG21 THR 103 HG21 THR 103 -4.615 -2.293 16.185 812 HG22 THR 103 HG22 THR 103 -6.064 -2.898 16.986 813 HG23 THR 103 HG23 THR 103 -4.497 -3.642 17.319 814 H ASP 104 H ASP 104 -6.944 -0.416 19.836 815 HA ASP 104 HA ASP 104 -9.367 -1.968 20.273 816 HB2 ASP 104 HB2 ASP 104 -8.878 1.037 20.021 817 HB3 ASP 104 HB3 ASP 104 -10.463 0.327 20.307 818 H GLU 105 H GLU 105 -8.031 0.178 17.752 819 HA GLU 105 HA GLU 105 -10.235 -0.558 15.910 820 HB2 GLU 105 HB2 GLU 105 -9.794 1.554 14.737 821 HB3 GLU 105 HB3 GLU 105 -10.130 1.853 16.438 822 HG2 GLU 105 HG2 GLU 105 -7.705 2.130 16.869 823 HG3 GLU 105 HG3 GLU 105 -7.371 1.841 15.163 824 H ILE 106 H ILE 106 -9.716 -1.017 13.732 825 HA ILE 106 HA ILE 106 -6.970 -2.046 13.301 826 HB ILE 106 HB ILE 106 -8.711 -3.809 13.406 827 HG12 ILE 106 HG12 ILE 106 -8.135 -4.961 11.224 828 HG13 ILE 106 HG13 ILE 106 -7.422 -3.452 10.657 829 HG21 ILE 106 HG21 ILE 106 -10.668 -2.586 12.590 830 HG22 ILE 106 HG22 ILE 106 -10.438 -4.072 11.666 831 HG23 ILE 106 HG23 ILE 106 -9.976 -2.517 10.968 832 HD11 ILE 106 HD11 ILE 106 -6.508 -5.008 13.077 833 HD12 ILE 106 HD12 ILE 106 -5.755 -3.561 12.401 834 HD13 ILE 106 HD13 ILE 106 -5.775 -5.056 11.476 835 H GLY 107 H GLY 107 -9.598 -0.143 11.906 836 HA2 GLY 107 HA2 GLY 107 -8.523 -0.016 9.220 837 HA3 GLY 107 HA3 GLY 107 -9.925 0.833 9.844 838 H THR 108 H THR 108 -6.420 0.814 10.186 839 HA THR 108 HA THR 108 -5.900 3.480 9.509 840 HB THR 108 HB THR 108 -7.009 4.015 11.685 841 HG1 THR 108 HG1 THR 108 -5.332 5.367 11.022 842 HG21 THR 108 HG21 THR 108 -5.996 3.387 13.836 843 HG22 THR 108 HG22 THR 108 -4.784 2.417 12.999 844 HG23 THR 108 HG23 THR 108 -6.483 1.941 12.947 845 H LEU 109 H LEU 109 -5.043 0.553 11.246 846 HA LEU 109 HA LEU 109 -2.170 0.970 10.682 847 HB2 LEU 109 HB2 LEU 109 -1.835 -0.579 12.711 848 HB3 LEU 109 HB3 LEU 109 -2.322 1.075 12.997 849 HG LEU 109 HG LEU 109 -4.771 0.053 13.123 850 HD11 LEU 109 HD11 LEU 109 -4.193 -2.226 12.427 851 HD12 LEU 109 HD12 LEU 109 -4.922 -2.182 14.031 852 HD13 LEU 109 HD13 LEU 109 -3.179 -2.409 13.865 853 HD21 LEU 109 HD21 LEU 109 -2.793 -0.290 15.393 854 HD22 LEU 109 HD22 LEU 109 -4.553 -0.226 15.549 855 HD23 LEU 109 HD23 LEU 109 -3.669 1.185 14.976 856 H LEU 110 H LEU 110 -4.811 -0.853 9.808 857 HA LEU 110 HA LEU 110 -3.159 -2.467 8.061 858 HB2 LEU 110 HB2 LEU 110 -3.356 -3.962 10.039 859 HB3 LEU 110 HB3 LEU 110 -5.099 -3.795 10.006 860 HG LEU 110 HG LEU 110 -5.158 -4.985 7.805 861 HD11 LEU 110 HD11 LEU 110 -3.187 -6.169 6.966 862 HD12 LEU 110 HD12 LEU 110 -2.192 -5.403 8.206 863 HD13 LEU 110 HD13 LEU 110 -2.956 -4.421 6.954 864 HD21 LEU 110 HD21 LEU 110 -3.777 -6.568 10.003 865 HD22 LEU 110 HD22 LEU 110 -4.707 -7.243 8.660 866 HD23 LEU 110 HD23 LEU 110 -5.513 -6.260 9.880 867 H THR 111 H THR 111 -4.386 -3.202 6.229 868 HA THR 111 HA THR 111 -6.962 -1.793 5.852 869 HB THR 111 HB THR 111 -4.991 -2.685 3.698 870 HG1 THR 111 HG1 THR 111 -5.423 -0.198 5.009 871 HG21 THR 111 HG21 THR 111 -6.346 -1.254 2.207 872 HG22 THR 111 HG22 THR 111 -7.430 -0.863 3.547 873 HG23 THR 111 HG23 THR 111 -7.357 -2.514 2.926 874 H LEU 112 H LEU 112 -8.730 -2.916 5.359 875 HA LEU 112 HA LEU 112 -8.595 -5.810 4.715 876 HB2 LEU 112 HB2 LEU 112 -10.673 -4.490 6.520 877 HB3 LEU 112 HB3 LEU 112 -10.488 -6.210 6.196 878 HG LEU 112 HG LEU 112 -8.325 -4.599 7.594 879 HD11 LEU 112 HD11 LEU 112 -10.312 -4.363 8.917 880 HD12 LEU 112 HD12 LEU 112 -9.153 -5.421 9.717 881 HD13 LEU 112 HD13 LEU 112 -10.565 -6.112 8.911 882 HD21 LEU 112 HD21 LEU 112 -7.581 -6.713 6.632 883 HD22 LEU 112 HD22 LEU 112 -8.847 -7.580 7.502 884 HD23 LEU 112 HD23 LEU 112 -7.548 -6.781 8.392 885 H VAL 113 H VAL 113 -10.525 -6.595 3.588 886 HA VAL 113 HA VAL 113 -11.998 -4.552 2.032 887 HB VAL 113 HB VAL 113 -12.611 -6.410 0.482 888 HG11 VAL 113 HG11 VAL 113 -10.635 -5.047 -0.025 889 HG12 VAL 113 HG12 VAL 113 -10.409 -6.706 -0.577 890 HG13 VAL 113 HG13 VAL 113 -9.613 -6.151 0.899 891 HG21 VAL 113 HG21 VAL 113 -12.507 -8.312 2.060 892 HG22 VAL 113 HG22 VAL 113 -10.751 -8.142 2.165 893 HG23 VAL 113 HG23 VAL 113 -11.501 -8.615 0.639 894 H ASP 114 H ASP 114 -12.395 -6.111 4.845 895 HA ASP 114 HA ASP 114 -15.101 -7.204 4.388 896 HB2 ASP 114 HB2 ASP 114 -13.235 -8.691 5.295 897 HB3 ASP 114 HB3 ASP 114 -13.248 -7.711 6.756 898 H GLN 115 H GLN 115 -13.236 -5.471 6.932 899 HA GLN 115 HA GLN 115 -15.504 -4.414 8.288 900 HB2 GLN 115 HB2 GLN 115 -12.602 -3.466 8.317 901 HB3 GLN 115 HB3 GLN 115 -13.844 -2.869 9.411 902 HG2 GLN 115 HG2 GLN 115 -12.733 -5.686 9.276 903 HG3 GLN 115 HG3 GLN 115 -12.448 -4.497 10.540 904 HE21 GLN 115 HE21 GLN 115 -14.136 -4.051 12.031 905 HE22 GLN 115 HE22 GLN 115 -15.455 -5.144 12.248 906 HA PRO 116 HA PRO 116 -16.918 -1.145 5.646 907 HB2 PRO 116 HB2 PRO 116 -17.507 0.877 7.519 908 HB3 PRO 116 HB3 PRO 116 -18.564 -0.480 7.113 909 HG2 PRO 116 HG2 PRO 116 -16.638 -0.191 9.411 910 HG3 PRO 116 HG3 PRO 116 -18.283 -0.862 9.408 911 HD2 PRO 116 HD2 PRO 116 -16.153 -2.486 9.438 912 HD3 PRO 116 HD3 PRO 116 -17.578 -2.910 8.463 913 H GLN 117 H GLN 117 -15.245 -0.497 4.392 914 HA GLN 117 HA GLN 117 -13.029 1.113 5.278 915 HB2 GLN 117 HB2 GLN 117 -13.989 0.345 2.489 916 HB3 GLN 117 HB3 GLN 117 -12.504 1.245 2.798 917 HG2 GLN 117 HG2 GLN 117 -11.580 -0.657 4.029 918 HG3 GLN 117 HG3 GLN 117 -13.081 -1.557 3.818 919 HE21 GLN 117 HE21 GLN 117 -13.533 -2.472 1.813 920 HE22 GLN 117 HE22 GLN 117 -12.360 -2.607 0.555 921 H ALA 118 H ALA 118 -13.011 3.249 5.514 922 HA ALA 118 HA ALA 118 -13.418 5.457 5.412 923 HB1 ALA 118 HB1 ALA 118 -14.265 4.857 2.551 924 HB2 ALA 118 HB2 ALA 118 -12.612 5.142 3.099 925 HB3 ALA 118 HB3 ALA 118 -13.803 6.440 3.188 Start of MODEL 15 1 H MET 1 H MET 1 0.260 -0.525 -0.313 2 HA MET 1 HA MET 1 2.489 0.182 -0.860 3 HB2 MET 1 HB2 MET 1 3.293 -1.514 1.549 4 HB3 MET 1 HB3 MET 1 4.401 -0.686 0.461 5 HG2 MET 1 HG2 MET 1 3.593 1.484 1.254 6 HG3 MET 1 HG3 MET 1 2.409 0.683 2.294 7 HE1 MET 1 HE1 MET 1 3.299 1.967 4.486 8 HE2 MET 1 HE2 MET 1 4.471 2.844 3.501 9 HE3 MET 1 HE3 MET 1 4.996 2.008 4.961 10 H ARG 2 H ARG 2 3.080 -1.034 -2.626 11 HA ARG 2 HA ARG 2 2.291 -3.820 -2.909 12 HB2 ARG 2 HB2 ARG 2 3.867 -2.104 -4.874 13 HB3 ARG 2 HB3 ARG 2 2.940 -3.564 -5.226 14 HG2 ARG 2 HG2 ARG 2 0.846 -2.373 -4.747 15 HG3 ARG 2 HG3 ARG 2 1.751 -0.922 -4.305 16 HD2 ARG 2 HD2 ARG 2 2.635 -0.781 -6.609 17 HD3 ARG 2 HD3 ARG 2 1.722 -2.239 -7.041 18 HE ARG 2 HE ARG 2 -0.070 -0.334 -6.001 19 HH11 ARG 2 HH11 ARG 2 1.921 -0.816 -8.852 20 HH12 ARG 2 HH12 ARG 2 0.877 0.120 -9.870 21 HH21 ARG 2 HH21 ARG 2 -1.415 0.874 -7.344 22 HH22 ARG 2 HH22 ARG 2 -1.010 1.073 -9.016 23 H LEU 3 H LEU 3 3.604 -5.102 -1.649 24 HA LEU 3 HA LEU 3 6.512 -5.114 -2.098 25 HB2 LEU 3 HB2 LEU 3 6.651 -5.296 0.544 26 HB3 LEU 3 HB3 LEU 3 6.581 -3.730 -0.243 27 HG LEU 3 HG LEU 3 4.190 -3.515 0.303 28 HD11 LEU 3 HD11 LEU 3 3.490 -5.838 0.232 29 HD12 LEU 3 HD12 LEU 3 3.019 -5.078 1.746 30 HD13 LEU 3 HD13 LEU 3 4.398 -6.177 1.707 31 HD21 LEU 3 HD21 LEU 3 5.837 -4.215 2.745 32 HD22 LEU 3 HD22 LEU 3 4.358 -3.250 2.733 33 HD23 LEU 3 HD23 LEU 3 5.803 -2.655 1.920 34 H LYS 4 H LYS 4 7.315 -6.931 -0.273 35 HA LYS 4 HA LYS 4 5.892 -9.394 -1.007 36 HB2 LYS 4 HB2 LYS 4 7.876 -10.584 -0.416 37 HB3 LYS 4 HB3 LYS 4 8.393 -9.192 -1.354 38 HG2 LYS 4 HG2 LYS 4 9.070 -8.055 0.730 39 HG3 LYS 4 HG3 LYS 4 8.526 -9.449 1.665 40 HD2 LYS 4 HD2 LYS 4 11.002 -9.376 1.338 41 HD3 LYS 4 HD3 LYS 4 10.251 -10.857 0.740 42 HE2 LYS 4 HE2 LYS 4 10.456 -10.112 -1.550 43 HE3 LYS 4 HE3 LYS 4 10.974 -8.503 -1.043 44 HZ1 LYS 4 HZ1 LYS 4 12.809 -9.908 -1.787 45 HZ2 LYS 4 HZ2 LYS 4 12.483 -11.005 -0.543 46 HZ3 LYS 4 HZ3 LYS 4 12.989 -9.439 -0.172 47 H SER 5 H SER 5 6.109 -11.119 0.849 48 HA SER 5 HA SER 5 4.154 -10.512 2.759 49 HB2 SER 5 HB2 SER 5 6.142 -12.814 2.817 50 HB3 SER 5 HB3 SER 5 4.513 -12.789 3.509 51 HG SER 5 HG SER 5 3.668 -12.774 1.465 52 H GLU 6 H GLU 6 7.656 -10.995 3.201 53 HA GLU 6 HA GLU 6 7.776 -10.573 5.993 54 HB2 GLU 6 HB2 GLU 6 9.566 -11.724 4.760 55 HB3 GLU 6 HB3 GLU 6 9.914 -10.262 3.840 56 HG2 GLU 6 HG2 GLU 6 10.627 -9.131 5.933 57 HG3 GLU 6 HG3 GLU 6 10.298 -10.612 6.834 58 H MET 7 H MET 7 8.042 -8.413 3.217 59 HA MET 7 HA MET 7 8.913 -6.120 4.708 60 HB2 MET 7 HB2 MET 7 9.385 -6.522 2.259 61 HB3 MET 7 HB3 MET 7 7.693 -6.199 1.913 62 HG2 MET 7 HG2 MET 7 9.054 -4.267 1.401 63 HG3 MET 7 HG3 MET 7 7.991 -3.886 2.752 64 HE1 MET 7 HE1 MET 7 8.972 -2.331 4.569 65 HE2 MET 7 HE2 MET 7 10.371 -2.832 5.518 66 HE3 MET 7 HE3 MET 7 8.965 -3.889 5.397 67 H PHE 8 H PHE 8 5.792 -7.583 4.013 68 HA PHE 8 HA PHE 8 4.241 -5.198 4.521 69 HB2 PHE 8 HB2 PHE 8 3.267 -7.066 3.138 70 HB3 PHE 8 HB3 PHE 8 3.238 -8.096 4.577 71 HD1 PHE 8 HD1 PHE 8 1.686 -5.172 2.922 72 HD2 PHE 8 HD2 PHE 8 1.581 -7.659 6.403 73 HE1 PHE 8 HE1 PHE 8 -0.451 -4.166 3.579 74 HE2 PHE 8 HE2 PHE 8 -0.566 -6.645 7.049 75 HZ PHE 8 HZ PHE 8 -1.582 -4.896 5.638 76 H VAL 9 H VAL 9 5.031 -8.183 6.347 77 HA VAL 9 HA VAL 9 3.485 -7.595 8.626 78 HB VAL 9 HB VAL 9 4.779 -9.321 9.827 79 HG11 VAL 9 HG11 VAL 9 4.277 -11.235 8.355 80 HG12 VAL 9 HG12 VAL 9 4.103 -10.135 6.984 81 HG13 VAL 9 HG13 VAL 9 2.976 -10.042 8.339 82 HG21 VAL 9 HG21 VAL 9 7.046 -8.833 8.996 83 HG22 VAL 9 HG22 VAL 9 6.598 -9.417 7.394 84 HG23 VAL 9 HG23 VAL 9 6.642 -10.534 8.759 85 H SER 10 H SER 10 6.861 -6.868 7.879 86 HA SER 10 HA SER 10 7.591 -5.750 10.375 87 HB2 SER 10 HB2 SER 10 9.495 -4.750 9.041 88 HB3 SER 10 HB3 SER 10 9.293 -6.490 8.822 89 HG SER 10 HG SER 10 9.087 -6.101 6.791 90 H ALA 11 H ALA 11 6.512 -4.220 7.322 91 HA ALA 11 HA ALA 11 6.494 -1.539 8.227 92 HB1 ALA 11 HB1 ALA 11 5.136 -1.056 6.227 93 HB2 ALA 11 HB2 ALA 11 4.826 -2.782 6.010 94 HB3 ALA 11 HB3 ALA 11 6.464 -2.151 5.835 95 H LEU 12 H LEU 12 4.159 -4.094 8.505 96 HA LEU 12 HA LEU 12 1.809 -2.696 9.201 97 HB2 LEU 12 HB2 LEU 12 1.696 -4.976 8.449 98 HB3 LEU 12 HB3 LEU 12 2.812 -5.505 9.691 99 HG LEU 12 HG LEU 12 1.049 -5.083 11.421 100 HD11 LEU 12 HD11 LEU 12 -0.782 -4.558 9.074 101 HD12 LEU 12 HD12 LEU 12 -0.262 -3.376 10.283 102 HD13 LEU 12 HD13 LEU 12 -1.269 -4.741 10.762 103 HD21 LEU 12 HD21 LEU 12 -0.277 -7.055 10.914 104 HD22 LEU 12 HD22 LEU 12 1.403 -7.327 10.456 105 HD23 LEU 12 HD23 LEU 12 0.195 -6.973 9.213 106 H ILE 13 H ILE 13 4.409 -4.084 11.093 107 HA ILE 13 HA ILE 13 3.434 -3.465 13.685 108 HB ILE 13 HB ILE 13 6.231 -4.056 12.620 109 HG12 ILE 13 HG12 ILE 13 4.298 -5.876 14.136 110 HG13 ILE 13 HG13 ILE 13 4.389 -5.821 12.384 111 HG21 ILE 13 HG21 ILE 13 6.917 -4.560 14.939 112 HG22 ILE 13 HG22 ILE 13 5.356 -3.992 15.535 113 HG23 ILE 13 HG23 ILE 13 6.469 -2.864 14.759 114 HD11 ILE 13 HD11 ILE 13 6.573 -6.674 14.254 115 HD12 ILE 13 HD12 ILE 13 6.683 -6.600 12.490 116 HD13 ILE 13 HD13 ILE 13 5.543 -7.707 13.260 117 H ARG 14 H ARG 14 5.406 -1.704 11.327 118 HA ARG 14 HA ARG 14 5.988 0.534 13.057 119 HB2 ARG 14 HB2 ARG 14 6.303 0.063 10.083 120 HB3 ARG 14 HB3 ARG 14 6.474 1.689 10.720 121 HG2 ARG 14 HG2 ARG 14 8.661 0.596 10.447 122 HG3 ARG 14 HG3 ARG 14 8.345 0.994 12.136 123 HD2 ARG 14 HD2 ARG 14 7.752 -1.338 12.596 124 HD3 ARG 14 HD3 ARG 14 7.982 -1.745 10.896 125 HE ARG 14 HE ARG 14 10.389 -0.744 11.585 126 HH11 ARG 14 HH11 ARG 14 8.393 -3.187 13.135 127 HH12 ARG 14 HH12 ARG 14 9.739 -4.168 13.605 128 HH21 ARG 14 HH21 ARG 14 12.145 -2.034 12.214 129 HH22 ARG 14 HH22 ARG 14 11.875 -3.499 13.097 130 H ARG 15 H ARG 15 3.293 -0.346 10.977 131 HA ARG 15 HA ARG 15 2.025 2.206 10.830 132 HB2 ARG 15 HB2 ARG 15 0.758 -0.569 10.677 133 HB3 ARG 15 HB3 ARG 15 -0.097 0.933 10.345 134 HG2 ARG 15 HG2 ARG 15 1.537 1.335 8.455 135 HG3 ARG 15 HG3 ARG 15 2.163 -0.288 8.740 136 HD2 ARG 15 HD2 ARG 15 0.576 -0.405 6.915 137 HD3 ARG 15 HD3 ARG 15 -0.158 -1.199 8.312 138 HE ARG 15 HE ARG 15 -1.035 1.408 8.430 139 HH11 ARG 15 HH11 ARG 15 -1.315 -1.160 6.036 140 HH12 ARG 15 HH12 ARG 15 -2.804 -0.554 5.388 141 HH21 ARG 15 HH21 ARG 15 -2.992 2.179 7.572 142 HH22 ARG 15 HH22 ARG 15 -3.742 1.342 6.249 143 H VAL 16 H VAL 16 1.756 -0.523 13.134 144 HA VAL 16 HA VAL 16 -0.413 0.645 14.591 145 HB VAL 16 HB VAL 16 -0.282 -1.154 16.174 146 HG11 VAL 16 HG11 VAL 16 -0.387 -3.155 14.749 147 HG12 VAL 16 HG12 VAL 16 0.419 -2.283 13.441 148 HG13 VAL 16 HG13 VAL 16 -1.181 -1.782 13.978 149 HG21 VAL 16 HG21 VAL 16 2.421 -1.928 15.041 150 HG22 VAL 16 HG22 VAL 16 1.535 -2.770 16.319 151 HG23 VAL 16 HG23 VAL 16 2.150 -1.143 16.597 152 H PHE 17 H PHE 17 3.124 0.463 15.186 153 HA PHE 17 HA PHE 17 3.091 1.811 17.694 154 HB2 PHE 17 HB2 PHE 17 5.297 1.156 15.720 155 HB3 PHE 17 HB3 PHE 17 5.633 2.228 17.073 156 HD1 PHE 17 HD2 PHE 17 5.546 1.372 19.413 157 HD2 PHE 17 HD1 PHE 17 4.983 -1.255 16.094 158 HE1 PHE 17 HE2 PHE 17 5.926 -0.575 20.872 159 HE2 PHE 17 HE1 PHE 17 5.356 -3.190 17.555 160 HZ PHE 17 HZ PHE 17 5.833 -2.859 19.945 161 H ALA 18 H ALA 18 3.129 2.951 14.377 162 HA ALA 18 HA ALA 18 3.653 5.713 14.863 163 HB1 ALA 18 HB1 ALA 18 2.668 6.088 12.636 164 HB2 ALA 18 HB2 ALA 18 2.038 4.436 12.631 165 HB3 ALA 18 HB3 ALA 18 3.778 4.717 12.620 166 H ALA 19 H ALA 19 0.779 3.712 15.110 167 HA ALA 19 HA ALA 19 -1.024 5.959 15.622 168 HB1 ALA 19 HB1 ALA 19 -1.574 2.973 15.586 169 HB2 ALA 19 HB2 ALA 19 -1.807 4.080 14.233 170 HB3 ALA 19 HB3 ALA 19 -2.793 4.249 15.684 171 H GLY 20 H GLY 20 1.180 4.330 17.475 172 HA2 GLY 20 HA2 GLY 20 1.549 4.343 19.761 173 HA3 GLY 20 HA3 GLY 20 -0.031 5.080 20.000 174 H GLY 21 H GLY 21 0.947 2.075 18.428 175 HA2 GLY 21 HA2 GLY 21 -0.544 0.443 20.423 176 HA3 GLY 21 HA3 GLY 21 -0.707 0.176 18.691 177 H PHE 22 H PHE 22 -0.008 -2.015 19.815 178 HA PHE 22 HA PHE 22 2.951 -2.275 19.864 179 HB2 PHE 22 HB2 PHE 22 1.841 -2.685 22.081 180 HB3 PHE 22 HB3 PHE 22 0.887 -3.970 21.353 181 HD1 PHE 22 HD1 PHE 22 4.396 -2.936 22.137 182 HD2 PHE 22 HD2 PHE 22 1.783 -6.199 21.222 183 HE1 PHE 22 HE1 PHE 22 6.193 -4.530 22.663 184 HE2 PHE 22 HE2 PHE 22 3.591 -7.789 21.748 185 HZ PHE 22 HZ PHE 22 5.795 -6.953 22.471 186 H ALA 23 H ALA 23 3.826 -4.200 18.899 187 HA ALA 23 HA ALA 23 2.158 -6.222 17.758 188 HB1 ALA 23 HB1 ALA 23 2.854 -5.928 15.394 189 HB2 ALA 23 HB2 ALA 23 3.602 -4.386 15.825 190 HB3 ALA 23 HB3 ALA 23 1.859 -4.596 15.982 191 H ALA 24 H ALA 24 3.395 -7.874 16.558 192 HA ALA 24 HA ALA 24 6.206 -8.092 16.504 193 HB1 ALA 24 HB1 ALA 24 4.899 -9.538 18.851 194 HB2 ALA 24 HB2 ALA 24 6.020 -8.180 18.976 195 HB3 ALA 24 HB3 ALA 24 6.579 -9.724 18.329 196 H VAL 25 H VAL 25 6.724 -9.868 15.195 197 HA VAL 25 HA VAL 25 4.551 -11.415 14.056 198 HB VAL 25 HB VAL 25 7.550 -11.473 13.466 199 HG11 VAL 25 HG11 VAL 25 6.578 -13.647 12.859 200 HG12 VAL 25 HG12 VAL 25 6.988 -12.737 11.406 201 HG13 VAL 25 HG13 VAL 25 5.306 -12.847 11.932 202 HG21 VAL 25 HG21 VAL 25 5.257 -10.200 11.916 203 HG22 VAL 25 HG22 VAL 25 6.945 -10.247 11.401 204 HG23 VAL 25 HG23 VAL 25 6.492 -9.344 12.843 205 H GLU 26 H GLU 26 3.814 -13.160 15.065 206 HA GLU 26 HA GLU 26 5.303 -14.778 16.938 207 HB2 GLU 26 HB2 GLU 26 2.576 -15.237 15.647 208 HB3 GLU 26 HB3 GLU 26 3.225 -16.136 17.023 209 HG2 GLU 26 HG2 GLU 26 3.147 -14.164 18.421 210 HG3 GLU 26 HG3 GLU 26 2.703 -13.147 17.051 211 H LYS 27 H LYS 27 3.727 -15.449 13.783 212 HA LYS 27 HA LYS 27 5.458 -17.824 13.397 213 HB2 LYS 27 HB2 LYS 27 3.030 -18.320 13.460 214 HB3 LYS 27 HB3 LYS 27 2.744 -17.147 12.175 215 HG2 LYS 27 HG2 LYS 27 4.016 -18.512 10.595 216 HG3 LYS 27 HG3 LYS 27 4.411 -19.652 11.878 217 HD2 LYS 27 HD2 LYS 27 2.043 -20.279 12.076 218 HD3 LYS 27 HD3 LYS 27 1.600 -19.109 10.824 219 HE2 LYS 27 HE2 LYS 27 1.743 -21.445 9.960 220 HE3 LYS 27 HE3 LYS 27 2.878 -20.356 9.158 221 HZ1 LYS 27 HZ1 LYS 27 4.638 -21.209 10.602 222 HZ2 LYS 27 HZ2 LYS 27 3.923 -22.452 9.708 223 HZ3 LYS 27 HZ3 LYS 27 3.538 -22.261 11.344 224 H LYS 28 H LYS 28 6.602 -18.043 11.532 225 HA LYS 28 HA LYS 28 6.594 -15.841 9.550 226 HB2 LYS 28 HB2 LYS 28 8.667 -15.737 10.813 227 HB3 LYS 28 HB3 LYS 28 8.937 -17.469 10.638 228 HG2 LYS 28 HG2 LYS 28 9.343 -17.217 8.251 229 HG3 LYS 28 HG3 LYS 28 8.915 -15.508 8.322 230 HD2 LYS 28 HD2 LYS 28 10.888 -15.080 9.762 231 HD3 LYS 28 HD3 LYS 28 11.318 -16.795 9.679 232 HE2 LYS 28 HE2 LYS 28 11.679 -16.619 7.262 233 HE3 LYS 28 HE3 LYS 28 11.121 -14.944 7.266 234 HZ1 LYS 28 HZ1 LYS 28 13.496 -15.024 7.206 235 HZ2 LYS 28 HZ2 LYS 28 13.555 -15.995 8.592 236 HZ3 LYS 28 HZ3 LYS 28 13.007 -14.397 8.701 237 H GLY 29 H GLY 29 6.509 -16.428 7.435 238 HA2 GLY 29 HA2 GLY 29 6.810 -19.278 6.661 239 HA3 GLY 29 HA3 GLY 29 5.503 -18.273 6.049 240 H ALA 30 H ALA 30 6.000 -18.205 3.904 241 HA ALA 30 HA ALA 30 8.661 -17.895 2.873 242 HB1 ALA 30 HB1 ALA 30 5.982 -17.664 1.435 243 HB2 ALA 30 HB2 ALA 30 6.938 -19.136 1.624 244 HB3 ALA 30 HB3 ALA 30 7.565 -17.801 0.663 245 H GLU 31 H GLU 31 9.742 -16.047 2.485 246 HA GLU 31 HA GLU 31 8.796 -13.613 3.601 247 HB2 GLU 31 HB2 GLU 31 11.291 -14.109 1.926 248 HB3 GLU 31 HB3 GLU 31 10.991 -12.686 2.926 249 HG2 GLU 31 HG2 GLU 31 10.983 -14.047 4.942 250 HG3 GLU 31 HG3 GLU 31 11.166 -15.521 4.000 251 H ALA 32 H ALA 32 9.149 -14.697 0.253 252 HA ALA 32 HA ALA 32 8.379 -12.135 -0.861 253 HB1 ALA 32 HB1 ALA 32 8.663 -13.182 -3.051 254 HB2 ALA 32 HB2 ALA 32 8.879 -14.755 -2.280 255 HB3 ALA 32 HB3 ALA 32 10.066 -13.478 -2.020 256 H ALA 33 H ALA 33 6.959 -15.451 -0.963 257 HA ALA 33 HA ALA 33 4.454 -14.290 -2.076 258 HB1 ALA 33 HB1 ALA 33 4.154 -16.424 -3.258 259 HB2 ALA 33 HB2 ALA 33 5.624 -17.060 -2.512 260 HB3 ALA 33 HB3 ALA 33 5.722 -15.709 -3.642 261 H GLY 34 H GLY 34 5.224 -14.934 0.855 262 HA2 GLY 34 HA2 GLY 34 3.545 -17.124 1.680 263 HA3 GLY 34 HA3 GLY 34 4.346 -15.963 2.723 264 H ALA 35 H ALA 35 1.597 -17.063 2.829 265 HA ALA 35 HA ALA 35 -0.212 -14.840 2.420 266 HB1 ALA 35 HB1 ALA 35 -1.824 -16.250 3.697 267 HB2 ALA 35 HB2 ALA 35 -0.528 -17.399 4.047 268 HB3 ALA 35 HB3 ALA 35 -1.060 -17.150 2.385 269 H ILE 36 H ILE 36 -1.179 -13.569 4.229 270 HA ILE 36 HA ILE 36 0.525 -13.410 6.658 271 HB ILE 36 HB ILE 36 -0.660 -10.978 5.259 272 HG12 ILE 36 HG12 ILE 36 1.145 -11.862 3.834 273 HG13 ILE 36 HG13 ILE 36 1.644 -10.347 4.578 274 HG21 ILE 36 HG21 ILE 36 1.288 -11.168 7.591 275 HG22 ILE 36 HG22 ILE 36 -0.408 -10.690 7.684 276 HG23 ILE 36 HG23 ILE 36 0.746 -9.665 6.831 277 HD11 ILE 36 HD11 ILE 36 2.520 -13.133 5.295 278 HD12 ILE 36 HD12 ILE 36 2.872 -11.722 6.287 279 HD13 ILE 36 HD13 ILE 36 3.480 -11.811 4.647 280 H PHE 37 H PHE 37 -0.628 -13.652 8.431 281 HA PHE 37 HA PHE 37 -3.494 -12.959 8.557 282 HB2 PHE 37 HB2 PHE 37 -2.044 -15.383 9.729 283 HB3 PHE 37 HB3 PHE 37 -3.646 -14.880 10.264 284 HD1 PHE 37 HD1 PHE 37 -1.746 -15.980 7.237 285 HD2 PHE 37 HD2 PHE 37 -5.586 -15.568 9.070 286 HE1 PHE 37 HE1 PHE 37 -2.769 -17.221 5.382 287 HE2 PHE 37 HE2 PHE 37 -6.598 -16.808 7.209 288 HZ PHE 37 HZ PHE 37 -5.195 -17.635 5.364 289 H VAL 38 H VAL 38 -4.102 -11.762 10.342 290 HA VAL 38 HA VAL 38 -2.010 -11.041 12.327 291 HB VAL 38 HB VAL 38 -3.908 -8.998 11.060 292 HG11 VAL 38 HG11 VAL 38 -1.398 -8.611 12.742 293 HG12 VAL 38 HG12 VAL 38 -3.059 -8.402 13.308 294 HG13 VAL 38 HG13 VAL 38 -2.407 -7.322 12.074 295 HG21 VAL 38 HG21 VAL 38 -2.016 -8.154 9.732 296 HG22 VAL 38 HG22 VAL 38 -2.373 -9.831 9.305 297 HG23 VAL 38 HG23 VAL 38 -0.990 -9.456 10.341 298 H ARG 39 H ARG 39 -2.766 -10.786 14.407 299 HA ARG 39 HA ARG 39 -5.671 -11.100 14.915 300 HB2 ARG 39 HB2 ARG 39 -4.971 -11.914 17.212 301 HB3 ARG 39 HB3 ARG 39 -4.482 -12.969 15.891 302 HG2 ARG 39 HG2 ARG 39 -2.194 -12.222 16.033 303 HG3 ARG 39 HG3 ARG 39 -2.628 -10.939 17.158 304 HD2 ARG 39 HD2 ARG 39 -1.562 -12.684 18.397 305 HD3 ARG 39 HD3 ARG 39 -3.269 -12.682 18.834 306 HE ARG 39 HE ARG 39 -2.066 -14.601 16.926 307 HH11 ARG 39 HH11 ARG 39 -4.319 -13.941 19.544 308 HH12 ARG 39 HH12 ARG 39 -4.674 -15.618 19.807 309 HH21 ARG 39 HH21 ARG 39 -2.591 -16.790 17.249 310 HH22 ARG 39 HH22 ARG 39 -3.708 -17.225 18.504 311 H GLN 40 H GLN 40 -6.516 -9.112 15.197 312 HA GLN 40 HA GLN 40 -5.201 -6.916 16.528 313 HB2 GLN 40 HB2 GLN 40 -6.678 -6.202 14.833 314 HB3 GLN 40 HB3 GLN 40 -7.929 -7.336 15.300 315 HG2 GLN 40 HG2 GLN 40 -8.611 -5.045 15.755 316 HG3 GLN 40 HG3 GLN 40 -8.496 -5.965 17.246 317 HE21 GLN 40 HE21 GLN 40 -8.471 -3.070 16.827 318 HE22 GLN 40 HE22 GLN 40 -7.009 -2.502 17.542 319 H ARG 41 H ARG 41 -4.950 -6.977 18.630 320 HA ARG 41 HA ARG 41 -6.788 -8.454 20.365 321 HB2 ARG 41 HB2 ARG 41 -4.350 -8.956 20.457 322 HB3 ARG 41 HB3 ARG 41 -4.042 -7.296 20.944 323 HG2 ARG 41 HG2 ARG 41 -5.079 -7.597 23.067 324 HG3 ARG 41 HG3 ARG 41 -5.852 -9.107 22.573 325 HD2 ARG 41 HD2 ARG 41 -2.855 -8.708 22.922 326 HD3 ARG 41 HD3 ARG 41 -3.929 -9.477 24.101 327 HE ARG 41 HE ARG 41 -4.264 -10.784 21.653 328 HH11 ARG 41 HH11 ARG 41 -1.704 -10.421 24.027 329 HH12 ARG 41 HH12 ARG 41 -1.034 -11.987 23.704 330 HH21 ARG 41 HH21 ARG 41 -3.394 -12.811 21.247 331 HH22 ARG 41 HH22 ARG 41 -1.976 -13.334 22.108 332 H LEU 42 H LEU 42 -8.400 -7.234 21.023 333 HA LEU 42 HA LEU 42 -8.155 -4.473 21.847 334 HB2 LEU 42 HB2 LEU 42 -10.447 -6.446 22.281 335 HB3 LEU 42 HB3 LEU 42 -10.511 -4.725 22.606 336 HG LEU 42 HG LEU 42 -11.695 -5.000 20.587 337 HD11 LEU 42 HD11 LEU 42 -8.924 -4.146 19.725 338 HD12 LEU 42 HD12 LEU 42 -10.139 -3.121 20.494 339 HD13 LEU 42 HD13 LEU 42 -10.443 -3.792 18.895 340 HD21 LEU 42 HD21 LEU 42 -11.036 -7.296 20.049 341 HD22 LEU 42 HD22 LEU 42 -9.471 -6.727 19.461 342 HD23 LEU 42 HD23 LEU 42 -10.956 -6.254 18.629 343 H ARG 43 H ARG 43 -8.014 -3.752 23.910 344 HA ARG 43 HA ARG 43 -6.836 -4.979 26.038 345 HB2 ARG 43 HB2 ARG 43 -7.609 -3.154 27.426 346 HB3 ARG 43 HB3 ARG 43 -7.285 -2.526 25.817 347 HG2 ARG 43 HG2 ARG 43 -10.065 -3.227 26.834 348 HG3 ARG 43 HG3 ARG 43 -9.363 -1.611 26.929 349 HD2 ARG 43 HD2 ARG 43 -9.387 -1.358 24.569 350 HD3 ARG 43 HD3 ARG 43 -9.637 -3.078 24.294 351 HE ARG 43 HE ARG 43 -11.866 -2.365 25.649 352 HH11 ARG 43 HH11 ARG 43 -10.332 -0.946 22.840 353 HH12 ARG 43 HH12 ARG 43 -11.828 -0.583 22.054 354 HH21 ARG 43 HH21 ARG 43 -13.823 -1.950 24.585 355 HH22 ARG 43 HH22 ARG 43 -13.816 -1.157 23.040 356 H ASP 44 H ASP 44 -10.219 -5.282 25.158 357 HA ASP 44 HA ASP 44 -11.245 -6.192 27.670 358 HB2 ASP 44 HB2 ASP 44 -12.413 -6.454 24.871 359 HB3 ASP 44 HB3 ASP 44 -13.292 -6.790 26.361 360 H GLY 45 H GLY 45 -9.274 -7.729 25.425 361 HA2 GLY 45 HA2 GLY 45 -8.345 -9.867 25.699 362 HA3 GLY 45 HA3 GLY 45 -9.752 -10.369 26.619 363 H ARG 46 H ARG 46 -10.739 -8.705 23.878 364 HA ARG 46 HA ARG 46 -11.350 -11.181 22.431 365 HB2 ARG 46 HB2 ARG 46 -12.231 -8.368 21.700 366 HB3 ARG 46 HB3 ARG 46 -12.880 -9.879 21.089 367 HG2 ARG 46 HG2 ARG 46 -13.156 -8.807 23.912 368 HG3 ARG 46 HG3 ARG 46 -14.427 -8.906 22.688 369 HD2 ARG 46 HD2 ARG 46 -14.391 -11.320 22.760 370 HD3 ARG 46 HD3 ARG 46 -12.964 -11.328 23.805 371 HE ARG 46 HE ARG 46 -15.719 -10.633 24.570 372 HH11 ARG 46 HH11 ARG 46 -12.375 -11.068 25.568 373 HH12 ARG 46 HH12 ARG 46 -12.759 -11.188 27.252 374 HH21 ARG 46 HH21 ARG 46 -16.208 -10.777 26.801 375 HH22 ARG 46 HH22 ARG 46 -14.930 -11.021 27.948 376 H GLU 47 H GLU 47 -10.898 -11.327 20.177 377 HA GLU 47 HA GLU 47 -8.740 -9.708 19.112 378 HB2 GLU 47 HB2 GLU 47 -8.501 -12.741 19.338 379 HB3 GLU 47 HB3 GLU 47 -7.380 -11.681 18.484 380 HG2 GLU 47 HG2 GLU 47 -6.973 -10.536 20.737 381 HG3 GLU 47 HG3 GLU 47 -7.852 -11.874 21.470 382 H ASN 48 H ASN 48 -8.738 -9.571 16.938 383 HA ASN 48 HA ASN 48 -10.871 -10.968 15.420 384 HB2 ASN 48 HB2 ASN 48 -9.594 -8.234 14.900 385 HB3 ASN 48 HB3 ASN 48 -10.751 -9.009 13.830 386 HD21 ASN 48 HD21 ASN 48 -10.824 -8.667 17.392 387 HD22 ASN 48 HD22 ASN 48 -12.281 -7.748 17.431 388 H LEU 49 H LEU 49 -10.147 -12.244 13.715 389 HA LEU 49 HA LEU 49 -7.250 -12.245 13.151 390 HB2 LEU 49 HB2 LEU 49 -8.343 -14.395 13.813 391 HB3 LEU 49 HB3 LEU 49 -9.308 -14.337 12.371 392 HG LEU 49 HG LEU 49 -7.365 -14.658 10.953 393 HD11 LEU 49 HD11 LEU 49 -5.077 -14.933 11.836 394 HD12 LEU 49 HD12 LEU 49 -5.637 -14.478 13.446 395 HD13 LEU 49 HD13 LEU 49 -5.697 -13.311 12.122 396 HD21 LEU 49 HD21 LEU 49 -6.599 -16.874 11.666 397 HD22 LEU 49 HD22 LEU 49 -8.334 -16.699 11.920 398 HD23 LEU 49 HD23 LEU 49 -7.226 -16.587 13.291 399 H TYR 50 H TYR 50 -6.474 -12.022 11.116 400 HA TYR 50 HA TYR 50 -8.329 -11.211 8.960 401 HB2 TYR 50 HB2 TYR 50 -5.622 -9.933 9.585 402 HB3 TYR 50 HB3 TYR 50 -6.771 -9.420 8.345 403 HD1 TYR 50 HD1 TYR 50 -9.186 -8.784 9.221 404 HD2 TYR 50 HD2 TYR 50 -5.719 -8.875 11.697 405 HE1 TYR 50 HE1 TYR 50 -10.323 -7.368 10.865 406 HE2 TYR 50 HE2 TYR 50 -6.855 -7.449 13.323 407 HH TYR 50 HH TYR 50 -8.688 -5.875 13.448 408 H GLY 51 H GLY 51 -7.503 -11.552 6.835 409 HA2 GLY 51 HA2 GLY 51 -5.151 -13.304 6.506 410 HA3 GLY 51 HA3 GLY 51 -6.712 -13.814 5.860 411 HA PRO 52 HA PRO 52 -4.615 -10.736 2.907 412 HB2 PRO 52 HB2 PRO 52 -3.127 -12.244 1.246 413 HB3 PRO 52 HB3 PRO 52 -2.515 -11.797 2.846 414 HG2 PRO 52 HG2 PRO 52 -3.715 -14.405 1.931 415 HG3 PRO 52 HG3 PRO 52 -2.315 -14.128 2.986 416 HD2 PRO 52 HD2 PRO 52 -4.906 -14.702 3.886 417 HD3 PRO 52 HD3 PRO 52 -3.638 -13.939 4.869 418 H ALA 53 H ALA 53 -6.517 -10.231 1.881 419 HA ALA 53 HA ALA 53 -8.405 -12.085 0.950 420 HB1 ALA 53 HB1 ALA 53 -9.018 -9.797 1.627 421 HB2 ALA 53 HB2 ALA 53 -9.617 -10.169 0.009 422 HB3 ALA 53 HB3 ALA 53 -8.190 -9.145 0.216 423 HA PRO 54 HA PRO 54 -7.023 -13.095 -3.230 424 HB2 PRO 54 HB2 PRO 54 -9.511 -13.271 -4.491 425 HB3 PRO 54 HB3 PRO 54 -8.787 -14.566 -3.532 426 HG2 PRO 54 HG2 PRO 54 -10.847 -12.527 -2.726 427 HG3 PRO 54 HG3 PRO 54 -10.784 -14.264 -2.354 428 HD2 PRO 54 HD2 PRO 54 -10.047 -12.420 -0.528 429 HD3 PRO 54 HD3 PRO 54 -9.189 -13.967 -0.650 430 H GLN 55 H GLN 55 -6.114 -11.593 -4.441 431 HA GLN 55 HA GLN 55 -6.637 -8.868 -4.378 432 HB2 GLN 55 HB2 GLN 55 -4.430 -9.747 -4.907 433 HB3 GLN 55 HB3 GLN 55 -5.030 -10.542 -6.351 434 HG2 GLN 55 HG2 GLN 55 -3.714 -8.618 -6.976 435 HG3 GLN 55 HG3 GLN 55 -5.394 -8.340 -7.414 436 HE21 GLN 55 HE21 GLN 55 -3.223 -6.431 -7.018 437 HE22 GLN 55 HE22 GLN 55 -3.744 -5.333 -5.789 438 H SER 56 H SER 56 -7.435 -7.367 -5.941 439 HA SER 56 HA SER 56 -9.608 -8.264 -7.641 440 HB2 SER 56 HB2 SER 56 -8.397 -5.487 -7.265 441 HB3 SER 56 HB3 SER 56 -9.933 -5.846 -8.058 442 HG SER 56 HG SER 56 -9.542 -6.781 -5.443 443 H PHE 57 H PHE 57 -7.764 -9.675 -8.714 444 HA PHE 57 HA PHE 57 -5.962 -8.221 -10.473 445 HB2 PHE 57 HB2 PHE 57 -4.894 -10.443 -10.894 446 HB3 PHE 57 HB3 PHE 57 -4.924 -9.979 -9.203 447 HD1 PHE 57 HD1 PHE 57 -6.322 -12.335 -11.706 448 HD2 PHE 57 HD2 PHE 57 -6.144 -11.305 -7.568 449 HE1 PHE 57 HE1 PHE 57 -7.262 -14.528 -11.109 450 HE2 PHE 57 HE2 PHE 57 -7.094 -13.492 -6.979 451 HZ PHE 57 HZ PHE 57 -7.649 -15.109 -8.750 452 H ALA 58 H ALA 58 -6.006 -8.140 -12.625 453 HA ALA 58 HA ALA 58 -8.184 -9.463 -14.123 454 HB1 ALA 58 HB1 ALA 58 -8.066 -7.008 -14.344 455 HB2 ALA 58 HB2 ALA 58 -7.698 -7.783 -15.885 456 HB3 ALA 58 HB3 ALA 58 -6.392 -7.121 -14.896 457 H ASP 59 H ASP 59 -7.597 -11.308 -15.113 458 HA ASP 59 HA ASP 59 -6.563 -12.833 -16.429 459 HB2 ASP 59 HB2 ASP 59 -6.340 -10.858 -17.963 460 HB3 ASP 59 HB3 ASP 59 -4.774 -10.504 -17.259 461 H ASP 60 H ASP 60 -5.555 -12.142 -13.646 462 HA ASP 60 HA ASP 60 -3.970 -12.679 -12.112 463 HB2 ASP 60 HB2 ASP 60 -3.198 -14.749 -14.215 464 HB3 ASP 60 HB3 ASP 60 -2.522 -14.723 -12.590 465 H GLU 61 H GLU 61 -3.359 -10.686 -14.297 466 HA GLU 61 HA GLU 61 -0.458 -10.596 -14.444 467 HB2 GLU 61 HB2 GLU 61 -2.556 -8.455 -15.069 468 HB3 GLU 61 HB3 GLU 61 -0.853 -8.386 -15.518 469 HG2 GLU 61 HG2 GLU 61 -1.147 -10.288 -17.029 470 HG3 GLU 61 HG3 GLU 61 -2.824 -10.465 -16.526 471 H ASP 62 H ASP 62 -3.061 -8.922 -12.763 472 HA ASP 62 HA ASP 62 -1.544 -6.859 -11.553 473 HB2 ASP 62 HB2 ASP 62 -3.925 -6.694 -12.186 474 HB3 ASP 62 HB3 ASP 62 -4.337 -7.885 -10.972 475 H ILE 63 H ILE 63 -1.711 -10.090 -10.645 476 HA ILE 63 HA ILE 63 -1.906 -10.418 -7.939 477 HB ILE 63 HB ILE 63 0.228 -11.656 -9.756 478 HG12 ILE 63 HG12 ILE 63 -2.095 -12.003 -10.592 479 HG13 ILE 63 HG13 ILE 63 -1.335 -13.516 -10.118 480 HG21 ILE 63 HG21 ILE 63 0.272 -13.573 -8.161 481 HG22 ILE 63 HG22 ILE 63 -0.786 -12.670 -7.074 482 HG23 ILE 63 HG23 ILE 63 0.834 -12.068 -7.428 483 HD11 ILE 63 HD11 ILE 63 -3.365 -11.967 -8.527 484 HD12 ILE 63 HD12 ILE 63 -2.588 -13.469 -8.019 485 HD13 ILE 63 HD13 ILE 63 -3.636 -13.453 -9.434 486 H MET 64 H MET 64 0.971 -9.330 -9.679 487 HA MET 64 HA MET 64 2.317 -8.513 -7.170 488 HB2 MET 64 HB2 MET 64 4.481 -9.188 -8.495 489 HB3 MET 64 HB3 MET 64 3.513 -10.450 -7.751 490 HG2 MET 64 HG2 MET 64 4.246 -11.126 -9.968 491 HG3 MET 64 HG3 MET 64 2.489 -10.970 -9.925 492 HE1 MET 64 HE1 MET 64 1.966 -10.739 -12.452 493 HE2 MET 64 HE2 MET 64 3.641 -11.249 -12.698 494 HE3 MET 64 HE3 MET 64 3.004 -9.858 -13.577 495 H ARG 65 H ARG 65 0.678 -7.026 -9.129 496 HA ARG 65 HA ARG 65 2.627 -5.035 -10.136 497 HB2 ARG 65 HB2 ARG 65 -0.182 -5.639 -11.168 498 HB3 ARG 65 HB3 ARG 65 0.885 -4.385 -11.797 499 HG2 ARG 65 HG2 ARG 65 1.408 -7.374 -11.897 500 HG3 ARG 65 HG3 ARG 65 0.826 -6.383 -13.237 501 HD2 ARG 65 HD2 ARG 65 3.532 -6.097 -11.864 502 HD3 ARG 65 HD3 ARG 65 3.247 -6.855 -13.431 503 HE ARG 65 HE ARG 65 3.432 -4.049 -12.855 504 HH11 ARG 65 HH11 ARG 65 1.980 -6.309 -15.115 505 HH12 ARG 65 HH12 ARG 65 1.918 -5.153 -16.404 506 HH21 ARG 65 HH21 ARG 65 3.339 -2.557 -14.543 507 HH22 ARG 65 HH22 ARG 65 2.674 -3.025 -16.075 508 H ALA 66 H ALA 66 -0.369 -5.651 -8.392 509 HA ALA 66 HA ALA 66 -0.159 -2.992 -7.109 510 HB1 ALA 66 HB1 ALA 66 -2.108 -2.997 -8.625 511 HB2 ALA 66 HB2 ALA 66 -2.605 -2.897 -6.936 512 HB3 ALA 66 HB3 ALA 66 -2.751 -4.426 -7.809 513 H GLU 67 H GLU 67 -0.939 -2.943 -4.905 514 HA GLU 67 HA GLU 67 -0.090 -5.082 -3.275 515 HB2 GLU 67 HB2 GLU 67 -0.013 -2.818 -2.418 516 HB3 GLU 67 HB3 GLU 67 -1.746 -2.607 -2.651 517 HG2 GLU 67 HG2 GLU 67 -2.211 -4.251 -0.880 518 HG3 GLU 67 HG3 GLU 67 -0.482 -4.549 -0.683 519 H ARG 68 H ARG 68 -1.209 -6.919 -2.707 520 HA ARG 68 HA ARG 68 -4.049 -7.185 -3.147 521 HB2 ARG 68 HB2 ARG 68 -3.847 -9.438 -2.246 522 HB3 ARG 68 HB3 ARG 68 -2.561 -9.147 -3.408 523 HG2 ARG 68 HG2 ARG 68 -0.933 -8.892 -1.580 524 HG3 ARG 68 HG3 ARG 68 -2.221 -9.091 -0.385 525 HD2 ARG 68 HD2 ARG 68 -1.242 -11.176 -2.375 526 HD3 ARG 68 HD3 ARG 68 -1.024 -11.195 -0.619 527 HE ARG 68 HE ARG 68 -3.769 -11.066 -1.099 528 HH11 ARG 68 HH11 ARG 68 -1.185 -13.399 -1.621 529 HH12 ARG 68 HH12 ARG 68 -2.268 -14.754 -1.607 530 HH21 ARG 68 HH21 ARG 68 -5.138 -12.853 -1.109 531 HH22 ARG 68 HH22 ARG 68 -4.487 -14.444 -1.321 532 H ARG 69 H ARG 69 -5.614 -6.673 -1.764 533 HA ARG 69 HA ARG 69 -4.981 -5.401 0.768 534 HB2 ARG 69 HB2 ARG 69 -6.676 -4.605 -1.007 535 HB3 ARG 69 HB3 ARG 69 -7.728 -5.901 -0.450 536 HG2 ARG 69 HG2 ARG 69 -7.956 -4.874 1.729 537 HG3 ARG 69 HG3 ARG 69 -6.688 -3.697 1.366 538 HD2 ARG 69 HD2 ARG 69 -8.096 -2.734 -0.427 539 HD3 ARG 69 HD3 ARG 69 -9.369 -3.894 -0.051 540 HE ARG 69 HE ARG 69 -8.920 -2.562 2.305 541 HH11 ARG 69 HH11 ARG 69 -9.908 -1.649 -0.952 542 HH12 ARG 69 HH12 ARG 69 -10.749 -0.228 -0.416 543 HH21 ARG 69 HH21 ARG 69 -9.991 -0.687 2.961 544 HH22 ARG 69 HH22 ARG 69 -10.768 0.325 1.788 545 H PHE 70 H PHE 70 -6.384 -6.019 2.707 546 HA PHE 70 HA PHE 70 -6.354 -8.952 3.030 547 HB2 PHE 70 HB2 PHE 70 -5.971 -6.649 4.970 548 HB3 PHE 70 HB3 PHE 70 -6.382 -8.262 5.548 549 HD1 PHE 70 HD1 PHE 70 -4.035 -7.001 2.885 550 HD2 PHE 70 HD2 PHE 70 -4.510 -9.275 6.469 551 HE1 PHE 70 HE1 PHE 70 -1.676 -7.672 2.770 552 HE2 PHE 70 HE2 PHE 70 -2.162 -9.934 6.349 553 HZ PHE 70 HZ PHE 70 -0.739 -9.138 4.500 554 H GLU 71 H GLU 71 -7.887 -9.665 4.810 555 HA GLU 71 HA GLU 71 -10.561 -8.474 4.697 556 HB2 GLU 71 HB2 GLU 71 -11.579 -10.669 4.160 557 HB3 GLU 71 HB3 GLU 71 -10.512 -10.142 2.863 558 HG2 GLU 71 HG2 GLU 71 -8.742 -11.666 3.741 559 HG3 GLU 71 HG3 GLU 71 -9.873 -12.241 4.966 560 H THR 72 H THR 72 -11.990 -9.675 6.324 561 HA THR 72 HA THR 72 -10.413 -10.090 8.782 562 HB THR 72 HB THR 72 -13.357 -9.328 8.499 563 HG1 THR 72 HG1 THR 72 -12.708 -7.244 8.737 564 HG21 THR 72 HG21 THR 72 -12.803 -10.323 10.708 565 HG22 THR 72 HG22 THR 72 -13.165 -8.600 10.849 566 HG23 THR 72 HG23 THR 72 -11.491 -9.155 10.895 567 H ARG 73 H ARG 73 -10.129 -12.274 9.210 568 HA ARG 73 HA ARG 73 -11.841 -14.364 8.225 569 HB2 ARG 73 HB2 ARG 73 -9.496 -14.305 10.167 570 HB3 ARG 73 HB3 ARG 73 -10.381 -15.791 9.852 571 HG2 ARG 73 HG2 ARG 73 -8.954 -14.186 7.701 572 HG3 ARG 73 HG3 ARG 73 -8.234 -15.538 8.578 573 HD2 ARG 73 HD2 ARG 73 -10.195 -16.953 7.758 574 HD3 ARG 73 HD3 ARG 73 -10.603 -15.612 6.682 575 HE ARG 73 HE ARG 73 -8.102 -17.213 6.587 576 HH11 ARG 73 HH11 ARG 73 -10.460 -15.202 4.943 577 HH12 ARG 73 HH12 ARG 73 -9.734 -15.426 3.384 578 HH21 ARG 73 HH21 ARG 73 -7.204 -17.558 4.544 579 HH22 ARG 73 HH22 ARG 73 -7.899 -16.773 3.155 580 H LEU 74 H LEU 74 -11.151 -13.014 11.439 581 HA LEU 74 HA LEU 74 -13.709 -14.027 12.526 582 HB2 LEU 74 HB2 LEU 74 -10.972 -14.207 13.863 583 HB3 LEU 74 HB3 LEU 74 -12.495 -14.608 14.644 584 HG LEU 74 HG LEU 74 -11.413 -16.084 12.205 585 HD11 LEU 74 HD11 LEU 74 -9.878 -16.410 14.083 586 HD12 LEU 74 HD12 LEU 74 -10.754 -17.894 13.720 587 HD13 LEU 74 HD13 LEU 74 -11.218 -16.917 15.117 588 HD21 LEU 74 HD21 LEU 74 -13.660 -16.811 14.122 589 HD22 LEU 74 HD22 LEU 74 -13.080 -17.809 12.784 590 HD23 LEU 74 HD23 LEU 74 -13.851 -16.259 12.455 591 H ALA 75 H ALA 75 -14.313 -12.825 14.556 592 HA ALA 75 HA ALA 75 -13.201 -10.139 14.807 593 HB1 ALA 75 HB1 ALA 75 -15.333 -9.018 14.304 594 HB2 ALA 75 HB2 ALA 75 -16.070 -10.570 13.894 595 HB3 ALA 75 HB3 ALA 75 -14.756 -9.928 12.906 596 H GLY 76 H GLY 76 -12.988 -9.910 16.942 597 HA2 GLY 76 HA2 GLY 76 -13.544 -9.519 19.127 598 HA3 GLY 76 HA3 GLY 76 -15.232 -9.634 18.661 599 H VAL 77 H VAL 77 -12.843 -12.177 18.285 600 HA VAL 77 HA VAL 77 -14.427 -13.952 20.048 601 HB VAL 77 HB VAL 77 -13.404 -15.842 18.785 602 HG11 VAL 77 HG11 VAL 77 -14.632 -15.529 16.648 603 HG12 VAL 77 HG12 VAL 77 -14.782 -13.803 16.992 604 HG13 VAL 77 HG13 VAL 77 -15.578 -14.983 18.035 605 HG21 VAL 77 HG21 VAL 77 -11.274 -14.806 18.104 606 HG22 VAL 77 HG22 VAL 77 -12.130 -13.699 17.030 607 HG23 VAL 77 HG23 VAL 77 -12.125 -15.432 16.687 608 H GLU 78 H GLU 78 -12.628 -15.922 20.635 609 HA GLU 78 HA GLU 78 -10.586 -14.561 22.271 610 HB2 GLU 78 HB2 GLU 78 -10.463 -16.710 23.527 611 HB3 GLU 78 HB3 GLU 78 -12.090 -16.036 23.499 612 HG2 GLU 78 HG2 GLU 78 -12.593 -17.619 21.579 613 HG3 GLU 78 HG3 GLU 78 -11.039 -18.379 21.901 614 H GLY 79 H GLY 79 -8.485 -15.733 22.537 615 HA2 GLY 79 HA2 GLY 79 -7.085 -15.906 20.090 616 HA3 GLY 79 HA3 GLY 79 -6.458 -16.356 21.670 617 H GLU 80 H GLU 80 -8.577 -18.362 22.078 618 HA GLU 80 HA GLU 80 -7.546 -20.742 21.054 619 HB2 GLU 80 HB2 GLU 80 -9.058 -20.728 22.953 620 HB3 GLU 80 HB3 GLU 80 -10.332 -19.996 22.003 621 HG2 GLU 80 HG2 GLU 80 -10.964 -22.240 22.337 622 HG3 GLU 80 HG3 GLU 80 -10.468 -22.107 20.654 623 H GLU 81 H GLU 81 -10.228 -18.722 19.820 624 HA GLU 81 HA GLU 81 -10.887 -20.397 17.599 625 HB2 GLU 81 HB2 GLU 81 -11.502 -17.426 17.851 626 HB3 GLU 81 HB3 GLU 81 -12.358 -18.620 16.874 627 HG2 GLU 81 HG2 GLU 81 -12.330 -18.370 19.882 628 HG3 GLU 81 HG3 GLU 81 -13.687 -18.078 18.805 629 H ILE 82 H ILE 82 -8.905 -17.495 18.002 630 HA ILE 82 HA ILE 82 -8.259 -16.913 15.337 631 HB ILE 82 HB ILE 82 -6.415 -16.562 17.756 632 HG12 ILE 82 HG12 ILE 82 -8.643 -15.498 18.157 633 HG13 ILE 82 HG13 ILE 82 -7.356 -14.306 18.042 634 HG21 ILE 82 HG21 ILE 82 -5.383 -14.720 16.468 635 HG22 ILE 82 HG22 ILE 82 -6.437 -15.077 15.097 636 HG23 ILE 82 HG23 ILE 82 -5.237 -16.260 15.621 637 HD11 ILE 82 HD11 ILE 82 -9.336 -14.975 15.867 638 HD12 ILE 82 HD12 ILE 82 -8.060 -13.757 15.775 639 HD13 ILE 82 HD13 ILE 82 -9.378 -13.568 16.929 640 H ALA 83 H ALA 83 -6.431 -18.810 17.717 641 HA ALA 83 HA ALA 83 -4.402 -19.763 15.996 642 HB1 ALA 83 HB1 ALA 83 -3.821 -21.263 17.857 643 HB2 ALA 83 HB2 ALA 83 -5.358 -20.896 18.646 644 HB3 ALA 83 HB3 ALA 83 -4.147 -19.629 18.440 645 H ALA 84 H ALA 84 -7.609 -20.946 16.777 646 HA ALA 84 HA ALA 84 -7.391 -23.635 15.911 647 HB1 ALA 84 HB1 ALA 84 -9.845 -23.626 15.842 648 HB2 ALA 84 HB2 ALA 84 -9.860 -21.861 15.948 649 HB3 ALA 84 HB3 ALA 84 -9.258 -22.819 17.302 650 H LEU 85 H LEU 85 -8.230 -20.636 14.196 651 HA LEU 85 HA LEU 85 -8.696 -22.017 11.695 652 HB2 LEU 85 HB2 LEU 85 -9.944 -19.956 12.275 653 HB3 LEU 85 HB3 LEU 85 -8.455 -19.032 12.180 654 HG LEU 85 HG LEU 85 -8.871 -20.624 9.730 655 HD11 LEU 85 HD11 LEU 85 -10.746 -19.403 8.807 656 HD12 LEU 85 HD12 LEU 85 -11.057 -18.678 10.389 657 HD13 LEU 85 HD13 LEU 85 -11.178 -20.430 10.170 658 HD21 LEU 85 HD21 LEU 85 -8.497 -17.657 10.169 659 HD22 LEU 85 HD22 LEU 85 -8.499 -18.465 8.598 660 HD23 LEU 85 HD23 LEU 85 -7.251 -18.858 9.785 661 H LEU 86 H LEU 86 -6.097 -20.100 13.160 662 HA LEU 86 HA LEU 86 -4.336 -19.899 10.988 663 HB2 LEU 86 HB2 LEU 86 -3.728 -20.210 13.951 664 HB3 LEU 86 HB3 LEU 86 -2.508 -19.808 12.747 665 HG LEU 86 HG LEU 86 -4.956 -18.106 13.359 666 HD11 LEU 86 HD11 LEU 86 -3.452 -18.066 15.263 667 HD12 LEU 86 HD12 LEU 86 -3.408 -16.521 14.419 668 HD13 LEU 86 HD13 LEU 86 -2.084 -17.671 14.218 669 HD21 LEU 86 HD21 LEU 86 -3.823 -16.388 11.981 670 HD22 LEU 86 HD22 LEU 86 -4.263 -17.820 11.059 671 HD23 LEU 86 HD23 LEU 86 -2.586 -17.571 11.548 672 H GLU 87 H GLU 87 -5.142 -22.566 13.028 673 HA GLU 87 HA GLU 87 -3.126 -24.425 12.324 674 HB2 GLU 87 HB2 GLU 87 -4.345 -24.721 14.359 675 HB3 GLU 87 HB3 GLU 87 -5.895 -24.554 13.556 676 HG2 GLU 87 HG2 GLU 87 -5.663 -26.810 14.151 677 HG3 GLU 87 HG3 GLU 87 -5.484 -26.701 12.408 678 H ARG 88 H ARG 88 -6.408 -23.703 11.087 679 HA ARG 88 HA ARG 88 -6.602 -25.946 9.311 680 HB2 ARG 88 HB2 ARG 88 -8.134 -23.309 9.380 681 HB3 ARG 88 HB3 ARG 88 -8.623 -24.735 8.464 682 HG2 ARG 88 HG2 ARG 88 -9.075 -25.980 10.460 683 HG3 ARG 88 HG3 ARG 88 -8.282 -24.775 11.477 684 HD2 ARG 88 HD2 ARG 88 -10.729 -24.641 11.658 685 HD3 ARG 88 HD3 ARG 88 -10.051 -23.156 10.984 686 HE ARG 88 HE ARG 88 -10.831 -24.934 8.909 687 HH11 ARG 88 HH11 ARG 88 -12.236 -22.752 11.276 688 HH12 ARG 88 HH12 ARG 88 -13.636 -22.424 10.313 689 HH21 ARG 88 HH21 ARG 88 -12.666 -24.504 7.674 690 HH22 ARG 88 HH22 ARG 88 -13.888 -23.425 8.269 691 H GLU 89 H GLU 89 -5.706 -22.561 8.943 692 HA GLU 89 HA GLU 89 -5.328 -22.551 6.125 693 HB2 GLU 89 HB2 GLU 89 -4.274 -20.645 8.251 694 HB3 GLU 89 HB3 GLU 89 -4.277 -20.333 6.514 695 HG2 GLU 89 HG2 GLU 89 -6.741 -20.755 8.233 696 HG3 GLU 89 HG3 GLU 89 -6.103 -19.190 7.740 697 H ARG 90 H ARG 90 -3.080 -22.872 8.908 698 HA ARG 90 HA ARG 90 -0.689 -22.963 7.358 699 HB2 ARG 90 HB2 ARG 90 0.529 -23.549 9.302 700 HB3 ARG 90 HB3 ARG 90 -0.792 -22.537 9.878 701 HG2 ARG 90 HG2 ARG 90 -2.020 -24.577 10.587 702 HG3 ARG 90 HG3 ARG 90 -0.668 -25.568 10.043 703 HD2 ARG 90 HD2 ARG 90 0.800 -24.409 11.686 704 HD3 ARG 90 HD3 ARG 90 -0.604 -23.501 12.263 705 HE ARG 90 HE ARG 90 -1.481 -25.997 12.571 706 HH11 ARG 90 HH11 ARG 90 1.638 -24.648 13.448 707 HH12 ARG 90 HH12 ARG 90 1.855 -25.715 14.795 708 HH21 ARG 90 HH21 ARG 90 -1.189 -27.393 14.335 709 HH22 ARG 90 HH22 ARG 90 0.249 -27.270 15.303 710 H ARG 91 H ARG 91 -3.012 -25.392 8.216 711 HA ARG 91 HA ARG 91 -1.560 -27.738 7.658 712 HB2 ARG 91 HB2 ARG 91 -3.748 -27.575 8.888 713 HB3 ARG 91 HB3 ARG 91 -4.558 -27.245 7.366 714 HG2 ARG 91 HG2 ARG 91 -2.987 -29.806 7.710 715 HG3 ARG 91 HG3 ARG 91 -4.596 -29.662 8.416 716 HD2 ARG 91 HD2 ARG 91 -5.548 -29.201 6.204 717 HD3 ARG 91 HD3 ARG 91 -3.944 -29.279 5.477 718 HE ARG 91 HE ARG 91 -3.923 -31.671 6.358 719 HH11 ARG 91 HH11 ARG 91 -6.935 -30.095 5.451 720 HH12 ARG 91 HH12 ARG 91 -7.660 -31.564 4.878 721 HH21 ARG 91 HH21 ARG 91 -4.881 -33.576 5.594 722 HH22 ARG 91 HH22 ARG 91 -6.492 -33.533 4.950 723 H PHE 92 H PHE 92 -3.247 -25.458 5.547 724 HA PHE 92 HA PHE 92 -2.607 -27.017 3.134 725 HB2 PHE 92 HB2 PHE 92 -4.393 -24.628 3.699 726 HB3 PHE 92 HB3 PHE 92 -3.896 -24.991 2.053 727 HD1 PHE 92 HD2 PHE 92 -5.581 -26.529 5.025 728 HD2 PHE 92 HD1 PHE 92 -5.097 -26.589 0.776 729 HE1 PHE 92 HE2 PHE 92 -7.392 -28.181 4.831 730 HE2 PHE 92 HE1 PHE 92 -6.909 -28.242 0.598 731 HZ PHE 92 HZ PHE 92 -8.058 -29.041 2.624 732 H ASP 93 H ASP 93 -1.432 -24.280 4.943 733 HA ASP 93 HA ASP 93 0.762 -23.850 3.098 734 HB2 ASP 93 HB2 ASP 93 -1.044 -22.433 2.108 735 HB3 ASP 93 HB3 ASP 93 -1.198 -21.566 3.635 736 H SER 94 H SER 94 2.074 -24.422 4.841 737 HA SER 94 HA SER 94 2.044 -23.095 7.390 738 HB2 SER 94 HB2 SER 94 2.942 -25.418 7.060 739 HB3 SER 94 HB3 SER 94 4.279 -24.749 6.123 740 HG SER 94 HG SER 94 5.167 -23.979 7.913 741 H ASP 95 H ASP 95 3.125 -22.180 4.309 742 HA ASP 95 HA ASP 95 5.230 -20.366 5.125 743 HB2 ASP 95 HB2 ASP 95 3.862 -20.935 2.477 744 HB3 ASP 95 HB3 ASP 95 4.980 -19.586 2.661 745 H LEU 96 H LEU 96 2.119 -20.137 5.886 746 HA LEU 96 HA LEU 96 1.758 -17.319 5.346 747 HB2 LEU 96 HB2 LEU 96 -0.292 -17.452 6.482 748 HB3 LEU 96 HB3 LEU 96 -0.125 -19.003 5.694 749 HG LEU 96 HG LEU 96 0.783 -19.754 8.117 750 HD11 LEU 96 HD11 LEU 96 -0.450 -18.660 9.943 751 HD12 LEU 96 HD12 LEU 96 -1.040 -17.432 8.817 752 HD13 LEU 96 HD13 LEU 96 0.683 -17.553 9.173 753 HD21 LEU 96 HD21 LEU 96 -1.161 -20.727 6.979 754 HD22 LEU 96 HD22 LEU 96 -2.166 -19.385 7.532 755 HD23 LEU 96 HD23 LEU 96 -1.456 -20.505 8.704 756 H TRP 97 H TRP 97 1.605 -15.736 7.077 757 HA TRP 97 HA TRP 97 3.562 -16.066 9.281 758 HB2 TRP 97 HB2 TRP 97 2.764 -13.535 7.748 759 HB3 TRP 97 HB3 TRP 97 3.869 -13.577 9.115 760 HD1 TRP 97 HD1 TRP 97 3.754 -15.446 5.670 761 HE1 TRP 97 HE1 TRP 97 6.102 -15.351 4.659 762 HE3 TRP 97 HE3 TRP 97 6.120 -12.752 9.317 763 HZ2 TRP 97 HZ2 TRP 97 8.616 -14.279 5.286 764 HZ3 TRP 97 HZ3 TRP 97 8.504 -12.232 9.027 765 HH2 TRP 97 HH2 TRP 97 9.727 -12.974 7.046 766 H VAL 98 H VAL 98 2.895 -15.241 11.332 767 HA VAL 98 HA VAL 98 0.182 -14.071 11.508 768 HB VAL 98 HB VAL 98 1.384 -15.892 13.647 769 HG11 VAL 98 HG11 VAL 98 -0.877 -15.749 14.683 770 HG12 VAL 98 HG12 VAL 98 -1.400 -14.652 13.402 771 HG13 VAL 98 HG13 VAL 98 -0.143 -14.151 14.535 772 HG21 VAL 98 HG21 VAL 98 -0.827 -16.525 11.652 773 HG22 VAL 98 HG22 VAL 98 -0.369 -17.540 13.022 774 HG23 VAL 98 HG23 VAL 98 0.776 -17.261 11.710 775 H VAL 99 H VAL 99 0.171 -12.113 12.424 776 HA VAL 99 HA VAL 99 2.469 -11.251 14.110 777 HB VAL 99 HB VAL 99 0.629 -9.388 12.533 778 HG11 VAL 99 HG11 VAL 99 3.314 -8.846 13.858 779 HG12 VAL 99 HG12 VAL 99 1.739 -8.334 14.466 780 HG13 VAL 99 HG13 VAL 99 2.352 -7.671 12.951 781 HG21 VAL 99 HG21 VAL 99 3.386 -10.366 11.699 782 HG22 VAL 99 HG22 VAL 99 2.442 -9.121 10.875 783 HG23 VAL 99 HG23 VAL 99 1.857 -10.784 10.921 784 H GLU 100 H GLU 100 1.915 -10.945 16.211 785 HA GLU 100 HA GLU 100 -0.833 -10.474 17.020 786 HB2 GLU 100 HB2 GLU 100 0.062 -10.448 19.347 787 HB3 GLU 100 HB3 GLU 100 0.526 -11.906 18.483 788 HG2 GLU 100 HG2 GLU 100 2.792 -10.988 18.134 789 HG3 GLU 100 HG3 GLU 100 2.327 -9.512 18.973 790 H ILE 101 H ILE 101 -1.627 -8.473 16.661 791 HA ILE 101 HA ILE 101 0.027 -6.141 17.470 792 HB ILE 101 HB ILE 101 -1.360 -4.678 16.089 793 HG12 ILE 101 HG12 ILE 101 -2.870 -7.145 15.099 794 HG13 ILE 101 HG13 ILE 101 -3.522 -5.995 16.251 795 HG21 ILE 101 HG21 ILE 101 0.594 -5.705 15.004 796 HG22 ILE 101 HG22 ILE 101 -0.691 -5.455 13.830 797 HG23 ILE 101 HG23 ILE 101 -0.387 -7.072 14.472 798 HD11 ILE 101 HD11 ILE 101 -2.752 -5.406 13.405 799 HD12 ILE 101 HD12 ILE 101 -3.392 -4.232 14.560 800 HD13 ILE 101 HD13 ILE 101 -4.383 -5.596 14.044 801 H GLU 102 H GLU 102 -0.803 -4.772 19.006 802 HA GLU 102 HA GLU 102 -3.341 -5.508 20.337 803 HB2 GLU 102 HB2 GLU 102 -1.122 -6.232 21.530 804 HB3 GLU 102 HB3 GLU 102 -0.868 -4.522 21.847 805 HG2 GLU 102 HG2 GLU 102 -3.256 -6.159 22.784 806 HG3 GLU 102 HG3 GLU 102 -1.849 -5.773 23.767 807 H THR 103 H THR 103 -4.649 -3.867 19.878 808 HA THR 103 HA THR 103 -4.022 -1.137 20.506 809 HB THR 103 HB THR 103 -2.840 -1.077 18.393 810 HG1 THR 103 HG1 THR 103 -3.796 0.688 17.691 811 HG21 THR 103 HG21 THR 103 -3.818 -3.084 17.332 812 HG22 THR 103 HG22 THR 103 -3.809 -1.695 16.245 813 HG23 THR 103 HG23 THR 103 -5.308 -2.188 17.032 814 H ASP 104 H ASP 104 -5.840 0.323 19.969 815 HA ASP 104 HA ASP 104 -8.375 -0.835 20.671 816 HB2 ASP 104 HB2 ASP 104 -7.711 1.355 21.560 817 HB3 ASP 104 HB3 ASP 104 -7.550 2.005 19.930 818 H GLU 105 H GLU 105 -7.168 0.945 17.807 819 HA GLU 105 HA GLU 105 -9.538 0.065 16.261 820 HB2 GLU 105 HB2 GLU 105 -9.190 2.110 14.873 821 HB3 GLU 105 HB3 GLU 105 -9.578 2.459 16.550 822 HG2 GLU 105 HG2 GLU 105 -7.194 2.935 17.005 823 HG3 GLU 105 HG3 GLU 105 -6.808 2.595 15.316 824 H ILE 106 H ILE 106 -9.234 -0.492 14.050 825 HA ILE 106 HA ILE 106 -6.615 -1.818 13.636 826 HB ILE 106 HB ILE 106 -8.469 -3.392 13.952 827 HG12 ILE 106 HG12 ILE 106 -8.251 -4.720 11.802 828 HG13 ILE 106 HG13 ILE 106 -7.441 -3.338 11.067 829 HG21 ILE 106 HG21 ILE 106 -10.369 -3.578 12.380 830 HG22 ILE 106 HG22 ILE 106 -9.829 -2.113 11.554 831 HG23 ILE 106 HG23 ILE 106 -10.368 -2.031 13.232 832 HD11 ILE 106 HD11 ILE 106 -6.464 -4.872 13.472 833 HD12 ILE 106 HD12 ILE 106 -5.629 -3.537 12.667 834 HD13 ILE 106 HD13 ILE 106 -5.897 -5.055 11.815 835 H GLY 107 H GLY 107 -9.022 0.260 12.053 836 HA2 GLY 107 HA2 GLY 107 -8.417 -0.329 9.360 837 HA3 GLY 107 HA3 GLY 107 -9.255 1.101 9.937 838 H THR 108 H THR 108 -7.137 2.118 11.532 839 HA THR 108 HA THR 108 -5.777 3.716 9.631 840 HB THR 108 HB THR 108 -6.386 4.539 11.867 841 HG1 THR 108 HG1 THR 108 -3.558 4.540 11.453 842 HG21 THR 108 HG21 THR 108 -5.109 3.896 13.885 843 HG22 THR 108 HG22 THR 108 -4.234 2.680 12.956 844 HG23 THR 108 HG23 THR 108 -5.971 2.507 13.217 845 H LEU 109 H LEU 109 -4.923 0.680 11.123 846 HA LEU 109 HA LEU 109 -2.094 0.970 10.315 847 HB2 LEU 109 HB2 LEU 109 -1.613 -0.495 12.385 848 HB3 LEU 109 HB3 LEU 109 -1.971 1.200 12.620 849 HG LEU 109 HG LEU 109 -4.449 0.343 13.057 850 HD11 LEU 109 HD11 LEU 109 -4.609 -1.846 14.097 851 HD12 LEU 109 HD12 LEU 109 -2.913 -2.171 13.742 852 HD13 LEU 109 HD13 LEU 109 -4.075 -1.997 12.422 853 HD21 LEU 109 HD21 LEU 109 -2.275 -0.034 15.138 854 HD22 LEU 109 HD22 LEU 109 -3.995 0.203 15.455 855 HD23 LEU 109 HD23 LEU 109 -3.051 1.495 14.720 856 H LEU 110 H LEU 110 -4.849 -0.745 9.627 857 HA LEU 110 HA LEU 110 -3.302 -2.571 8.001 858 HB2 LEU 110 HB2 LEU 110 -3.545 -3.883 10.099 859 HB3 LEU 110 HB3 LEU 110 -5.285 -3.658 10.053 860 HG LEU 110 HG LEU 110 -5.407 -5.008 7.973 861 HD11 LEU 110 HD11 LEU 110 -3.227 -4.556 7.011 862 HD12 LEU 110 HD12 LEU 110 -3.472 -6.292 7.177 863 HD13 LEU 110 HD13 LEU 110 -2.435 -5.437 8.321 864 HD21 LEU 110 HD21 LEU 110 -3.973 -6.454 10.225 865 HD22 LEU 110 HD22 LEU 110 -4.958 -7.204 8.965 866 HD23 LEU 110 HD23 LEU 110 -5.709 -6.130 10.142 867 H THR 111 H THR 111 -4.434 -3.110 6.124 868 HA THR 111 HA THR 111 -6.910 -1.543 5.687 869 HB THR 111 HB THR 111 -4.946 -2.516 3.563 870 HG1 THR 111 HG1 THR 111 -5.006 0.172 4.258 871 HG21 THR 111 HG21 THR 111 -7.077 -0.345 3.506 872 HG22 THR 111 HG22 THR 111 -7.253 -1.944 2.782 873 HG23 THR 111 HG23 THR 111 -6.038 -0.820 2.155 874 H LEU 112 H LEU 112 -8.781 -2.604 5.270 875 HA LEU 112 HA LEU 112 -8.718 -5.477 4.513 876 HB2 LEU 112 HB2 LEU 112 -10.486 -4.236 6.668 877 HB3 LEU 112 HB3 LEU 112 -10.435 -5.933 6.218 878 HG LEU 112 HG LEU 112 -7.905 -4.619 7.205 879 HD11 LEU 112 HD11 LEU 112 -9.499 -3.966 8.878 880 HD12 LEU 112 HD12 LEU 112 -8.368 -5.165 9.503 881 HD13 LEU 112 HD13 LEU 112 -10.012 -5.646 9.067 882 HD21 LEU 112 HD21 LEU 112 -7.786 -6.862 6.252 883 HD22 LEU 112 HD22 LEU 112 -8.903 -7.440 7.490 884 HD23 LEU 112 HD23 LEU 112 -7.312 -6.822 7.948 885 H VAL 113 H VAL 113 -10.596 -6.267 3.445 886 HA VAL 113 HA VAL 113 -12.172 -4.284 1.979 887 HB VAL 113 HB VAL 113 -13.003 -6.213 0.614 888 HG11 VAL 113 HG11 VAL 113 -10.903 -6.755 -0.555 889 HG12 VAL 113 HG12 VAL 113 -9.970 -6.147 0.816 890 HG13 VAL 113 HG13 VAL 113 -10.971 -5.042 -0.129 891 HG21 VAL 113 HG21 VAL 113 -11.158 -7.938 2.321 892 HG22 VAL 113 HG22 VAL 113 -12.005 -8.475 0.867 893 HG23 VAL 113 HG23 VAL 113 -12.922 -8.010 2.302 894 H ASP 114 H ASP 114 -12.486 -6.651 4.529 895 HA ASP 114 HA ASP 114 -15.364 -6.894 4.398 896 HB2 ASP 114 HB2 ASP 114 -13.906 -8.802 5.095 897 HB3 ASP 114 HB3 ASP 114 -13.418 -7.893 6.524 898 H GLN 115 H GLN 115 -13.008 -5.357 6.614 899 HA GLN 115 HA GLN 115 -14.982 -4.138 8.287 900 HB2 GLN 115 HB2 GLN 115 -12.032 -3.473 7.908 901 HB3 GLN 115 HB3 GLN 115 -13.063 -2.691 9.105 902 HG2 GLN 115 HG2 GLN 115 -12.327 -5.627 9.002 903 HG3 GLN 115 HG3 GLN 115 -11.709 -4.431 10.134 904 HE21 GLN 115 HE21 GLN 115 -13.094 -3.646 11.782 905 HE22 GLN 115 HE22 GLN 115 -14.502 -4.521 12.262 906 HA PRO 116 HA PRO 116 -16.307 -0.806 5.622 907 HB2 PRO 116 HB2 PRO 116 -17.089 1.055 7.529 908 HB3 PRO 116 HB3 PRO 116 -18.037 -0.374 7.095 909 HG2 PRO 116 HG2 PRO 116 -16.142 0.012 9.407 910 HG3 PRO 116 HG3 PRO 116 -17.765 -0.713 9.403 911 HD2 PRO 116 HD2 PRO 116 -15.554 -2.247 9.408 912 HD3 PRO 116 HD3 PRO 116 -16.995 -2.735 8.485 913 H GLN 117 H GLN 117 -15.281 0.773 4.564 914 HA GLN 117 HA GLN 117 -12.618 1.556 5.302 915 HB2 GLN 117 HB2 GLN 117 -14.378 2.529 3.006 916 HB3 GLN 117 HB3 GLN 117 -12.631 2.747 3.136 917 HG2 GLN 117 HG2 GLN 117 -12.275 0.341 2.968 918 HG3 GLN 117 HG3 GLN 117 -14.017 0.049 2.964 919 HE21 GLN 117 HE21 GLN 117 -15.208 0.553 1.090 920 HE22 GLN 117 HE22 GLN 117 -14.447 0.787 -0.442 921 H ALA 118 H ALA 118 -12.109 3.178 6.613 922 HA ALA 118 HA ALA 118 -12.065 5.052 7.842 923 HB1 ALA 118 HB1 ALA 118 -12.082 6.204 5.656 924 HB2 ALA 118 HB2 ALA 118 -12.911 7.154 6.890 925 HB3 ALA 118 HB3 ALA 118 -13.843 6.260 5.685 Start of MODEL 16 1 H MET 1 H MET 1 0.835 0.817 -0.019 2 HA MET 1 HA MET 1 2.249 1.562 -1.832 3 HB2 MET 1 HB2 MET 1 3.856 0.092 0.301 4 HB3 MET 1 HB3 MET 1 4.319 1.560 -0.559 5 HG2 MET 1 HG2 MET 1 2.191 1.242 1.565 6 HG3 MET 1 HG3 MET 1 3.665 2.212 1.636 7 HE1 MET 1 HE1 MET 1 0.583 4.783 1.646 8 HE2 MET 1 HE2 MET 1 1.973 4.227 2.577 9 HE3 MET 1 HE3 MET 1 0.591 3.157 2.331 10 H ARG 2 H ARG 2 1.334 -1.313 -2.398 11 HA ARG 2 HA ARG 2 1.845 -3.209 -3.469 12 HB2 ARG 2 HB2 ARG 2 3.532 -1.268 -5.068 13 HB3 ARG 2 HB3 ARG 2 3.269 -2.940 -5.557 14 HG2 ARG 2 HG2 ARG 2 0.770 -2.438 -5.529 15 HG3 ARG 2 HG3 ARG 2 1.200 -0.738 -5.311 16 HD2 ARG 2 HD2 ARG 2 2.084 -2.467 -7.655 17 HD3 ARG 2 HD3 ARG 2 0.728 -1.339 -7.682 18 HE ARG 2 HE ARG 2 3.100 0.014 -6.899 19 HH11 ARG 2 HH11 ARG 2 1.603 -1.392 -9.755 20 HH12 ARG 2 HH12 ARG 2 2.379 -0.295 -10.850 21 HH21 ARG 2 HH21 ARG 2 4.106 1.443 -8.352 22 HH22 ARG 2 HH22 ARG 2 3.786 1.319 -10.052 23 H LEU 3 H LEU 3 2.774 -3.958 -1.504 24 HA LEU 3 HA LEU 3 5.723 -4.294 -1.477 25 HB2 LEU 3 HB2 LEU 3 3.788 -4.868 0.791 26 HB3 LEU 3 HB3 LEU 3 5.520 -4.656 0.893 27 HG LEU 3 HG LEU 3 3.672 -2.365 0.084 28 HD11 LEU 3 HD11 LEU 3 3.890 -1.466 2.358 29 HD12 LEU 3 HD12 LEU 3 4.739 -2.930 2.866 30 HD13 LEU 3 HD13 LEU 3 3.052 -3.016 2.356 31 HD21 LEU 3 HD21 LEU 3 5.590 -0.948 0.590 32 HD22 LEU 3 HD22 LEU 3 6.030 -2.158 -0.612 33 HD23 LEU 3 HD23 LEU 3 6.539 -2.358 1.068 34 H LYS 4 H LYS 4 6.515 -6.418 -0.748 35 HA LYS 4 HA LYS 4 4.888 -8.705 -1.584 36 HB2 LYS 4 HB2 LYS 4 6.891 -10.018 -1.333 37 HB3 LYS 4 HB3 LYS 4 7.324 -8.538 -2.173 38 HG2 LYS 4 HG2 LYS 4 8.352 -7.632 -0.166 39 HG3 LYS 4 HG3 LYS 4 7.786 -9.002 0.790 40 HD2 LYS 4 HD2 LYS 4 10.184 -9.201 0.266 41 HD3 LYS 4 HD3 LYS 4 9.252 -10.522 -0.434 42 HE2 LYS 4 HE2 LYS 4 9.385 -9.500 -2.643 43 HE3 LYS 4 HE3 LYS 4 10.193 -8.078 -1.975 44 HZ1 LYS 4 HZ1 LYS 4 11.252 -10.848 -2.039 45 HZ2 LYS 4 HZ2 LYS 4 12.024 -9.540 -1.299 46 HZ3 LYS 4 HZ3 LYS 4 11.782 -9.542 -2.972 47 H SER 5 H SER 5 5.246 -10.681 0.102 48 HA SER 5 HA SER 5 3.585 -10.221 2.289 49 HB2 SER 5 HB2 SER 5 5.612 -12.477 2.033 50 HB3 SER 5 HB3 SER 5 4.116 -12.508 2.962 51 HG SER 5 HG SER 5 4.493 -13.063 0.366 52 H GLU 6 H GLU 6 7.107 -10.581 2.242 53 HA GLU 6 HA GLU 6 7.733 -10.244 4.948 54 HB2 GLU 6 HB2 GLU 6 9.376 -11.168 3.476 55 HB3 GLU 6 HB3 GLU 6 9.269 -9.818 2.363 56 HG2 GLU 6 HG2 GLU 6 11.381 -9.705 3.484 57 HG3 GLU 6 HG3 GLU 6 10.391 -8.364 4.045 58 H MET 7 H MET 7 7.571 -7.898 2.297 59 HA MET 7 HA MET 7 8.672 -5.722 3.802 60 HB2 MET 7 HB2 MET 7 8.969 -6.101 1.327 61 HB3 MET 7 HB3 MET 7 7.277 -5.695 1.092 62 HG2 MET 7 HG2 MET 7 8.634 -3.807 0.506 63 HG3 MET 7 HG3 MET 7 7.757 -3.416 1.982 64 HE1 MET 7 HE1 MET 7 8.984 -3.608 4.463 65 HE2 MET 7 HE2 MET 7 8.994 -2.006 3.721 66 HE3 MET 7 HE3 MET 7 10.448 -2.625 4.500 67 H PHE 8 H PHE 8 5.466 -6.917 3.115 68 HA PHE 8 HA PHE 8 4.024 -4.528 3.768 69 HB2 PHE 8 HB2 PHE 8 3.108 -6.400 2.295 70 HB3 PHE 8 HB3 PHE 8 2.901 -7.369 3.749 71 HD1 PHE 8 HD1 PHE 8 1.665 -4.433 1.865 72 HD2 PHE 8 HD2 PHE 8 1.107 -6.817 5.377 73 HE1 PHE 8 HE1 PHE 8 -0.507 -3.346 2.265 74 HE2 PHE 8 HE2 PHE 8 -1.062 -5.727 5.757 75 HZ PHE 8 HZ PHE 8 -1.873 -3.990 4.211 76 H VAL 9 H VAL 9 4.994 -7.460 5.476 77 HA VAL 9 HA VAL 9 3.562 -6.800 7.903 78 HB VAL 9 HB VAL 9 5.780 -8.874 7.536 79 HG11 VAL 9 HG11 VAL 9 5.571 -8.249 9.880 80 HG12 VAL 9 HG12 VAL 9 4.924 -9.869 9.630 81 HG13 VAL 9 HG13 VAL 9 3.825 -8.499 9.827 82 HG21 VAL 9 HG21 VAL 9 3.798 -9.323 6.134 83 HG22 VAL 9 HG22 VAL 9 2.756 -9.211 7.553 84 HG23 VAL 9 HG23 VAL 9 3.944 -10.512 7.429 85 H SER 10 H SER 10 6.906 -6.459 6.783 86 HA SER 10 HA SER 10 8.160 -5.440 9.064 87 HB2 SER 10 HB2 SER 10 8.623 -4.671 6.147 88 HB3 SER 10 HB3 SER 10 9.735 -4.328 7.473 89 HG SER 10 HG SER 10 8.890 -6.969 6.958 90 H ALA 11 H ALA 11 6.200 -3.821 6.614 91 HA ALA 11 HA ALA 11 6.318 -1.183 7.729 92 HB1 ALA 11 HB1 ALA 11 5.830 -1.588 5.348 93 HB2 ALA 11 HB2 ALA 11 4.526 -0.682 6.116 94 HB3 ALA 11 HB3 ALA 11 4.327 -2.406 5.784 95 H LEU 12 H LEU 12 4.118 -3.938 8.030 96 HA LEU 12 HA LEU 12 1.830 -2.670 9.045 97 HB2 LEU 12 HB2 LEU 12 2.286 -5.104 8.086 98 HB3 LEU 12 HB3 LEU 12 2.485 -5.534 9.769 99 HG LEU 12 HG LEU 12 -0.040 -4.286 8.610 100 HD11 LEU 12 HD11 LEU 12 0.350 -6.471 7.589 101 HD12 LEU 12 HD12 LEU 12 -1.033 -6.534 8.677 102 HD13 LEU 12 HD13 LEU 12 0.518 -7.213 9.183 103 HD21 LEU 12 HD21 LEU 12 0.176 -3.906 11.038 104 HD22 LEU 12 HD22 LEU 12 0.365 -5.640 11.302 105 HD23 LEU 12 HD23 LEU 12 -1.160 -5.001 10.676 106 H ILE 13 H ILE 13 4.531 -4.257 10.736 107 HA ILE 13 HA ILE 13 3.691 -4.021 13.371 108 HB ILE 13 HB ILE 13 6.436 -4.194 12.089 109 HG12 ILE 13 HG12 ILE 13 6.641 -6.275 13.411 110 HG13 ILE 13 HG13 ILE 13 5.152 -5.921 14.270 111 HG21 ILE 13 HG21 ILE 13 6.103 -3.653 15.063 112 HG22 ILE 13 HG22 ILE 13 6.904 -2.607 13.889 113 HG23 ILE 13 HG23 ILE 13 7.599 -4.180 14.285 114 HD11 ILE 13 HD11 ILE 13 5.413 -6.593 11.357 115 HD12 ILE 13 HD12 ILE 13 3.902 -6.236 12.199 116 HD13 ILE 13 HD13 ILE 13 4.852 -7.653 12.647 117 H ARG 14 H ARG 14 5.476 -1.634 11.396 118 HA ARG 14 HA ARG 14 5.658 0.322 13.511 119 HB2 ARG 14 HB2 ARG 14 6.296 0.495 10.544 120 HB3 ARG 14 HB3 ARG 14 6.421 1.886 11.608 121 HG2 ARG 14 HG2 ARG 14 8.625 0.995 11.378 122 HG3 ARG 14 HG3 ARG 14 8.081 0.597 13.008 123 HD2 ARG 14 HD2 ARG 14 7.612 -1.693 12.331 124 HD3 ARG 14 HD3 ARG 14 8.007 -1.314 10.653 125 HE ARG 14 HE ARG 14 9.936 -1.346 12.897 126 HH11 ARG 14 HH11 ARG 14 9.282 -1.779 9.472 127 HH12 ARG 14 HH12 ARG 14 10.906 -2.262 9.100 128 HH21 ARG 14 HH21 ARG 14 12.052 -1.999 12.404 129 HH22 ARG 14 HH22 ARG 14 12.480 -2.385 10.768 130 H ARG 15 H ARG 15 3.311 -0.376 11.000 131 HA ARG 15 HA ARG 15 1.879 2.042 10.925 132 HB2 ARG 15 HB2 ARG 15 0.928 -0.827 10.537 133 HB3 ARG 15 HB3 ARG 15 -0.115 0.569 10.283 134 HG2 ARG 15 HG2 ARG 15 1.438 1.368 8.508 135 HG3 ARG 15 HG3 ARG 15 2.405 -0.090 8.726 136 HD2 ARG 15 HD2 ARG 15 0.520 -1.495 8.039 137 HD3 ARG 15 HD3 ARG 15 -0.536 -0.081 7.939 138 HE ARG 15 HE ARG 15 1.706 0.271 6.237 139 HH11 ARG 15 HH11 ARG 15 -1.273 -1.585 6.426 140 HH12 ARG 15 HH12 ARG 15 -1.445 -1.711 4.704 141 HH21 ARG 15 HH21 ARG 15 1.455 0.105 3.986 142 HH22 ARG 15 HH22 ARG 15 0.096 -0.751 3.324 143 H VAL 16 H VAL 16 1.571 -0.788 13.091 144 HA VAL 16 HA VAL 16 -0.697 0.305 14.489 145 HB VAL 16 HB VAL 16 -0.740 -1.612 15.860 146 HG11 VAL 16 HG11 VAL 16 0.422 -2.583 13.221 147 HG12 VAL 16 HG12 VAL 16 -1.253 -2.124 13.501 148 HG13 VAL 16 HG13 VAL 16 -0.580 -3.525 14.329 149 HG21 VAL 16 HG21 VAL 16 2.141 -2.235 15.149 150 HG22 VAL 16 HG22 VAL 16 1.092 -3.192 16.199 151 HG23 VAL 16 HG23 VAL 16 1.580 -1.569 16.683 152 H PHE 17 H PHE 17 2.800 0.220 15.054 153 HA PHE 17 HA PHE 17 2.771 1.376 17.659 154 HB2 PHE 17 HB2 PHE 17 4.931 1.036 15.561 155 HB3 PHE 17 HB3 PHE 17 5.250 1.972 17.018 156 HD1 PHE 17 HD2 PHE 17 4.840 0.810 19.293 157 HD2 PHE 17 HD1 PHE 17 5.184 -1.349 15.625 158 HE1 PHE 17 HE2 PHE 17 5.342 -1.249 20.536 159 HE2 PHE 17 HE1 PHE 17 5.674 -3.413 16.883 160 HZ PHE 17 HZ PHE 17 5.752 -3.359 19.340 161 H ALA 18 H ALA 18 2.644 2.728 14.419 162 HA ALA 18 HA ALA 18 2.950 5.480 15.074 163 HB1 ALA 18 HB1 ALA 18 1.838 5.930 12.914 164 HB2 ALA 18 HB2 ALA 18 1.356 4.233 12.807 165 HB3 ALA 18 HB3 ALA 18 3.062 4.668 12.751 166 H ALA 19 H ALA 19 0.253 3.240 15.301 167 HA ALA 19 HA ALA 19 -1.723 5.251 16.060 168 HB1 ALA 19 HB1 ALA 19 -2.418 3.316 14.718 169 HB2 ALA 19 HB2 ALA 19 -3.264 3.339 16.264 170 HB3 ALA 19 HB3 ALA 19 -1.920 2.219 16.008 171 H GLY 20 H GLY 20 0.625 3.267 17.644 172 HA2 GLY 20 HA2 GLY 20 1.311 3.699 19.886 173 HA3 GLY 20 HA3 GLY 20 -0.337 4.136 20.309 174 H GLY 21 H GLY 21 -0.478 1.390 18.441 175 HA2 GLY 21 HA2 GLY 21 -0.941 -0.411 20.645 176 HA3 GLY 21 HA3 GLY 21 -1.102 -0.768 18.933 177 H PHE 22 H PHE 22 -0.105 -2.801 19.450 178 HA PHE 22 HA PHE 22 2.861 -2.760 19.539 179 HB2 PHE 22 HB2 PHE 22 2.129 -3.354 21.811 180 HB3 PHE 22 HB3 PHE 22 1.008 -4.556 21.186 181 HD1 PHE 22 HD1 PHE 22 4.660 -3.737 21.420 182 HD2 PHE 22 HD2 PHE 22 1.732 -6.818 20.909 183 HE1 PHE 22 HE1 PHE 22 6.421 -5.445 21.575 184 HE2 PHE 22 HE2 PHE 22 3.501 -8.524 21.074 185 HZ PHE 22 HZ PHE 22 5.848 -7.837 21.406 186 H ALA 23 H ALA 23 3.823 -4.621 18.461 187 HA ALA 23 HA ALA 23 2.142 -6.567 17.138 188 HB1 ALA 23 HB1 ALA 23 2.917 -6.062 14.841 189 HB2 ALA 23 HB2 ALA 23 3.714 -4.603 15.443 190 HB3 ALA 23 HB3 ALA 23 1.960 -4.746 15.522 191 H ALA 24 H ALA 24 3.336 -8.228 16.046 192 HA ALA 24 HA ALA 24 6.177 -8.395 16.073 193 HB1 ALA 24 HB1 ALA 24 4.763 -10.024 18.234 194 HB2 ALA 24 HB2 ALA 24 5.834 -8.649 18.515 195 HB3 ALA 24 HB3 ALA 24 6.477 -10.130 17.803 196 H VAL 25 H VAL 25 6.710 -9.784 14.518 197 HA VAL 25 HA VAL 25 4.755 -11.406 13.161 198 HB VAL 25 HB VAL 25 7.763 -11.631 12.688 199 HG11 VAL 25 HG11 VAL 25 7.110 -12.078 10.360 200 HG12 VAL 25 HG12 VAL 25 5.410 -11.874 10.789 201 HG13 VAL 25 HG13 VAL 25 6.338 -13.210 11.473 202 HG21 VAL 25 HG21 VAL 25 6.005 -9.384 11.652 203 HG22 VAL 25 HG22 VAL 25 7.641 -9.734 11.090 204 HG23 VAL 25 HG23 VAL 25 7.368 -9.232 12.759 205 H GLU 26 H GLU 26 4.023 -13.096 14.389 206 HA GLU 26 HA GLU 26 5.574 -14.687 16.171 207 HB2 GLU 26 HB2 GLU 26 2.862 -15.258 14.899 208 HB3 GLU 26 HB3 GLU 26 3.555 -16.153 16.255 209 HG2 GLU 26 HG2 GLU 26 3.505 -14.107 17.637 210 HG3 GLU 26 HG3 GLU 26 2.827 -13.201 16.282 211 H LYS 27 H LYS 27 4.204 -15.383 12.937 212 HA LYS 27 HA LYS 27 6.133 -17.621 12.606 213 HB2 LYS 27 HB2 LYS 27 3.701 -18.306 12.748 214 HB3 LYS 27 HB3 LYS 27 3.379 -17.333 11.318 215 HG2 LYS 27 HG2 LYS 27 4.963 -18.770 10.030 216 HG3 LYS 27 HG3 LYS 27 5.179 -19.765 11.469 217 HD2 LYS 27 HD2 LYS 27 2.615 -20.115 11.396 218 HD3 LYS 27 HD3 LYS 27 2.687 -19.436 9.766 219 HE2 LYS 27 HE2 LYS 27 3.999 -21.978 10.786 220 HE3 LYS 27 HE3 LYS 27 2.752 -21.829 9.542 221 HZ1 LYS 27 HZ1 LYS 27 4.816 -22.187 8.471 222 HZ2 LYS 27 HZ2 LYS 27 5.591 -20.993 9.369 223 HZ3 LYS 27 HZ3 LYS 27 4.430 -20.561 8.217 224 H LYS 28 H LYS 28 7.101 -17.827 10.565 225 HA LYS 28 HA LYS 28 6.934 -15.515 8.719 226 HB2 LYS 28 HB2 LYS 28 8.877 -15.369 10.401 227 HB3 LYS 28 HB3 LYS 28 9.553 -16.803 9.636 228 HG2 LYS 28 HG2 LYS 28 9.691 -15.558 7.485 229 HG3 LYS 28 HG3 LYS 28 9.042 -14.129 8.294 230 HD2 LYS 28 HD2 LYS 28 11.069 -14.342 9.903 231 HD3 LYS 28 HD3 LYS 28 11.739 -15.465 8.716 232 HE2 LYS 28 HE2 LYS 28 11.007 -12.555 8.236 233 HE3 LYS 28 HE3 LYS 28 12.639 -13.208 8.376 234 HZ1 LYS 28 HZ1 LYS 28 10.701 -13.928 6.249 235 HZ2 LYS 28 HZ2 LYS 28 12.315 -14.423 6.353 236 HZ3 LYS 28 HZ3 LYS 28 11.945 -12.798 6.091 237 H GLY 29 H GLY 29 6.491 -16.273 6.731 238 HA2 GLY 29 HA2 GLY 29 7.203 -19.064 5.984 239 HA3 GLY 29 HA3 GLY 29 5.798 -18.182 5.407 240 H ALA 30 H ALA 30 6.010 -17.642 3.309 241 HA ALA 30 HA ALA 30 8.650 -17.369 2.074 242 HB1 ALA 30 HB1 ALA 30 7.416 -17.393 -0.063 243 HB2 ALA 30 HB2 ALA 30 5.884 -17.377 0.811 244 HB3 ALA 30 HB3 ALA 30 6.960 -18.764 0.951 245 H GLU 31 H GLU 31 9.551 -15.466 1.586 246 HA GLU 31 HA GLU 31 8.635 -13.027 2.618 247 HB2 GLU 31 HB2 GLU 31 10.814 -13.608 0.577 248 HB3 GLU 31 HB3 GLU 31 10.579 -12.035 1.340 249 HG2 GLU 31 HG2 GLU 31 11.151 -12.882 3.504 250 HG3 GLU 31 HG3 GLU 31 11.086 -14.554 2.961 251 H ALA 32 H ALA 32 8.799 -14.077 -0.783 252 HA ALA 32 HA ALA 32 7.419 -11.683 -1.708 253 HB1 ALA 32 HB1 ALA 32 8.506 -14.038 -3.277 254 HB2 ALA 32 HB2 ALA 32 9.351 -12.519 -2.971 255 HB3 ALA 32 HB3 ALA 32 7.890 -12.531 -3.962 256 H ALA 33 H ALA 33 6.908 -15.217 -2.045 257 HA ALA 33 HA ALA 33 4.302 -14.753 -3.279 258 HB1 ALA 33 HB1 ALA 33 4.445 -17.103 -3.968 259 HB2 ALA 33 HB2 ALA 33 5.880 -17.325 -2.962 260 HB3 ALA 33 HB3 ALA 33 5.941 -16.247 -4.355 261 H GLY 34 H GLY 34 5.080 -14.960 -0.117 262 HA2 GLY 34 HA2 GLY 34 3.454 -17.118 0.863 263 HA3 GLY 34 HA3 GLY 34 4.196 -15.844 1.815 264 H ALA 35 H ALA 35 1.818 -16.695 2.618 265 HA ALA 35 HA ALA 35 -0.137 -14.585 1.894 266 HB1 ALA 35 HB1 ALA 35 -1.040 -16.875 1.827 267 HB2 ALA 35 HB2 ALA 35 -1.784 -15.972 3.147 268 HB3 ALA 35 HB3 ALA 35 -0.514 -17.154 3.488 269 H ILE 36 H ILE 36 -1.253 -13.554 3.804 270 HA ILE 36 HA ILE 36 0.481 -13.325 6.202 271 HB ILE 36 HB ILE 36 -0.912 -10.962 4.863 272 HG12 ILE 36 HG12 ILE 36 0.987 -11.658 3.452 273 HG13 ILE 36 HG13 ILE 36 1.351 -10.125 4.240 274 HG21 ILE 36 HG21 ILE 36 -0.720 -10.703 7.295 275 HG22 ILE 36 HG22 ILE 36 0.364 -9.573 6.485 276 HG23 ILE 36 HG23 ILE 36 1.011 -11.040 7.224 277 HD11 ILE 36 HD11 ILE 36 2.425 -12.855 4.929 278 HD12 ILE 36 HD12 ILE 36 2.659 -11.436 5.944 279 HD13 ILE 36 HD13 ILE 36 3.301 -11.460 4.310 280 H PHE 37 H PHE 37 -0.745 -14.147 7.795 281 HA PHE 37 HA PHE 37 -3.548 -13.290 8.066 282 HB2 PHE 37 HB2 PHE 37 -2.182 -15.851 8.988 283 HB3 PHE 37 HB3 PHE 37 -3.754 -15.336 9.606 284 HD1 PHE 37 HD1 PHE 37 -1.930 -16.362 6.534 285 HD2 PHE 37 HD2 PHE 37 -5.757 -15.570 8.289 286 HE1 PHE 37 HE1 PHE 37 -3.036 -17.272 4.543 287 HE2 PHE 37 HE2 PHE 37 -6.849 -16.499 6.288 288 HZ PHE 37 HZ PHE 37 -5.493 -17.343 4.417 289 H VAL 38 H VAL 38 -3.795 -11.780 9.457 290 HA VAL 38 HA VAL 38 -1.877 -11.310 11.662 291 HB VAL 38 HB VAL 38 -3.795 -9.305 10.353 292 HG11 VAL 38 HG11 VAL 38 -1.490 -8.841 12.287 293 HG12 VAL 38 HG12 VAL 38 -3.207 -8.705 12.666 294 HG13 VAL 38 HG13 VAL 38 -2.469 -7.579 11.528 295 HG21 VAL 38 HG21 VAL 38 -2.080 -10.015 8.726 296 HG22 VAL 38 HG22 VAL 38 -0.806 -9.605 9.877 297 HG23 VAL 38 HG23 VAL 38 -1.841 -8.337 9.217 298 H ARG 39 H ARG 39 -2.698 -11.107 13.720 299 HA ARG 39 HA ARG 39 -5.601 -11.417 14.135 300 HB2 ARG 39 HB2 ARG 39 -4.923 -12.725 16.252 301 HB3 ARG 39 HB3 ARG 39 -4.752 -13.537 14.703 302 HG2 ARG 39 HG2 ARG 39 -2.299 -13.008 14.740 303 HG3 ARG 39 HG3 ARG 39 -2.513 -12.329 16.355 304 HD2 ARG 39 HD2 ARG 39 -3.139 -15.204 15.592 305 HD3 ARG 39 HD3 ARG 39 -1.647 -14.670 16.376 306 HE ARG 39 HE ARG 39 -4.355 -14.494 17.569 307 HH11 ARG 39 HH11 ARG 39 -0.881 -14.749 17.984 308 HH12 ARG 39 HH12 ARG 39 -0.995 -15.014 19.696 309 HH21 ARG 39 HH21 ARG 39 -4.469 -14.778 19.826 310 HH22 ARG 39 HH22 ARG 39 -3.006 -15.040 20.724 311 H GLN 40 H GLN 40 -6.324 -9.586 14.887 312 HA GLN 40 HA GLN 40 -4.758 -7.701 16.436 313 HB2 GLN 40 HB2 GLN 40 -6.389 -6.829 14.813 314 HB3 GLN 40 HB3 GLN 40 -7.698 -7.687 15.623 315 HG2 GLN 40 HG2 GLN 40 -7.284 -6.283 17.658 316 HG3 GLN 40 HG3 GLN 40 -6.084 -5.372 16.748 317 HE21 GLN 40 HE21 GLN 40 -8.593 -4.541 18.023 318 HE22 GLN 40 HE22 GLN 40 -9.513 -3.761 16.784 319 H ARG 41 H ARG 41 -5.115 -7.161 18.624 320 HA ARG 41 HA ARG 41 -6.754 -9.038 20.210 321 HB2 ARG 41 HB2 ARG 41 -4.275 -9.433 20.343 322 HB3 ARG 41 HB3 ARG 41 -4.089 -7.813 21.009 323 HG2 ARG 41 HG2 ARG 41 -5.180 -8.397 23.046 324 HG3 ARG 41 HG3 ARG 41 -5.875 -9.867 22.346 325 HD2 ARG 41 HD2 ARG 41 -2.941 -9.369 22.981 326 HD3 ARG 41 HD3 ARG 41 -4.034 -10.484 23.816 327 HE ARG 41 HE ARG 41 -4.218 -11.680 21.622 328 HH11 ARG 41 HH11 ARG 41 -1.273 -9.942 22.416 329 HH12 ARG 41 HH12 ARG 41 -0.328 -10.764 21.220 330 HH21 ARG 41 HH21 ARG 41 -3.020 -12.660 19.999 331 HH22 ARG 41 HH22 ARG 41 -1.319 -12.333 19.861 332 H LEU 42 H LEU 42 -8.132 -8.107 21.597 333 HA LEU 42 HA LEU 42 -8.385 -5.183 21.588 334 HB2 LEU 42 HB2 LEU 42 -10.378 -7.426 22.101 335 HB3 LEU 42 HB3 LEU 42 -10.745 -5.770 22.540 336 HG LEU 42 HG LEU 42 -11.805 -6.299 20.433 337 HD11 LEU 42 HD11 LEU 42 -11.013 -4.005 20.734 338 HD12 LEU 42 HD12 LEU 42 -10.970 -4.475 19.038 339 HD13 LEU 42 HD13 LEU 42 -9.472 -4.414 19.970 340 HD21 LEU 42 HD21 LEU 42 -10.579 -6.897 18.411 341 HD22 LEU 42 HD22 LEU 42 -10.349 -8.110 19.660 342 HD23 LEU 42 HD23 LEU 42 -9.064 -6.952 19.306 343 H ARG 43 H ARG 43 -8.578 -4.021 23.381 344 HA ARG 43 HA ARG 43 -7.676 -4.827 25.954 345 HB2 ARG 43 HB2 ARG 43 -8.425 -2.497 26.590 346 HB3 ARG 43 HB3 ARG 43 -7.372 -2.549 25.181 347 HG2 ARG 43 HG2 ARG 43 -9.588 -2.520 23.788 348 HG3 ARG 43 HG3 ARG 43 -10.342 -1.969 25.287 349 HD2 ARG 43 HD2 ARG 43 -7.984 -0.579 23.960 350 HD3 ARG 43 HD3 ARG 43 -9.671 -0.137 23.689 351 HE ARG 43 HE ARG 43 -9.011 -0.117 26.471 352 HH11 ARG 43 HH11 ARG 43 -8.614 1.778 23.528 353 HH12 ARG 43 HH12 ARG 43 -8.550 3.290 24.376 354 HH21 ARG 43 HH21 ARG 43 -8.918 1.887 27.549 355 HH22 ARG 43 HH22 ARG 43 -8.711 3.351 26.639 356 H ASP 44 H ASP 44 -10.741 -4.920 24.358 357 HA ASP 44 HA ASP 44 -12.478 -5.177 26.620 358 HB2 ASP 44 HB2 ASP 44 -13.279 -4.506 24.374 359 HB3 ASP 44 HB3 ASP 44 -12.840 -6.081 23.730 360 H GLY 45 H GLY 45 -10.273 -7.307 25.056 361 HA2 GLY 45 HA2 GLY 45 -9.529 -9.343 25.983 362 HA3 GLY 45 HA3 GLY 45 -11.089 -9.577 26.755 363 H ARG 46 H ARG 46 -10.974 -8.587 23.445 364 HA ARG 46 HA ARG 46 -11.715 -11.307 22.509 365 HB2 ARG 46 HB2 ARG 46 -12.409 -8.584 21.310 366 HB3 ARG 46 HB3 ARG 46 -12.878 -10.141 20.634 367 HG2 ARG 46 HG2 ARG 46 -13.813 -8.971 23.280 368 HG3 ARG 46 HG3 ARG 46 -14.755 -9.116 21.792 369 HD2 ARG 46 HD2 ARG 46 -14.434 -11.628 21.952 370 HD3 ARG 46 HD3 ARG 46 -13.740 -11.363 23.559 371 HE ARG 46 HE ARG 46 -16.135 -10.078 23.689 372 HH11 ARG 46 HH11 ARG 46 -15.270 -13.383 22.840 373 HH12 ARG 46 HH12 ARG 46 -16.800 -14.026 23.344 374 HH21 ARG 46 HH21 ARG 46 -18.135 -10.946 24.292 375 HH22 ARG 46 HH22 ARG 46 -18.424 -12.647 24.141 376 H GLU 47 H GLU 47 -11.280 -11.349 19.987 377 HA GLU 47 HA GLU 47 -8.922 -9.958 19.075 378 HB2 GLU 47 HB2 GLU 47 -8.926 -13.005 19.311 379 HB3 GLU 47 HB3 GLU 47 -7.880 -12.136 18.188 380 HG2 GLU 47 HG2 GLU 47 -6.997 -10.866 20.244 381 HG3 GLU 47 HG3 GLU 47 -7.813 -12.091 21.215 382 H ASN 48 H ASN 48 -8.585 -10.165 16.806 383 HA ASN 48 HA ASN 48 -10.837 -11.230 15.194 384 HB2 ASN 48 HB2 ASN 48 -9.187 -8.740 14.531 385 HB3 ASN 48 HB3 ASN 48 -10.526 -9.390 13.591 386 HD21 ASN 48 HD21 ASN 48 -9.624 -7.637 16.442 387 HD22 ASN 48 HD22 ASN 48 -11.180 -6.965 16.762 388 H LEU 49 H LEU 49 -10.040 -11.523 12.853 389 HA LEU 49 HA LEU 49 -7.227 -12.299 12.615 390 HB2 LEU 49 HB2 LEU 49 -9.114 -14.245 13.137 391 HB3 LEU 49 HB3 LEU 49 -9.178 -14.219 11.393 392 HG LEU 49 HG LEU 49 -6.744 -14.820 13.104 393 HD11 LEU 49 HD11 LEU 49 -8.330 -16.629 13.083 394 HD12 LEU 49 HD12 LEU 49 -6.907 -17.080 12.152 395 HD13 LEU 49 HD13 LEU 49 -8.392 -16.609 11.320 396 HD21 LEU 49 HD21 LEU 49 -6.902 -14.724 10.071 397 HD22 LEU 49 HD22 LEU 49 -5.551 -15.393 10.993 398 HD23 LEU 49 HD23 LEU 49 -5.935 -13.679 11.118 399 H TYR 50 H TYR 50 -6.475 -12.062 10.523 400 HA TYR 50 HA TYR 50 -8.271 -10.939 8.478 401 HB2 TYR 50 HB2 TYR 50 -5.523 -9.795 9.198 402 HB3 TYR 50 HB3 TYR 50 -6.684 -9.132 8.041 403 HD1 TYR 50 HD1 TYR 50 -9.056 -8.553 9.004 404 HD2 TYR 50 HD2 TYR 50 -5.559 -8.939 11.434 405 HE1 TYR 50 HE1 TYR 50 -10.156 -7.304 10.786 406 HE2 TYR 50 HE2 TYR 50 -6.682 -7.663 13.207 407 HH TYR 50 HH TYR 50 -8.560 -5.971 13.342 408 H GLY 51 H GLY 51 -7.791 -11.547 6.426 409 HA2 GLY 51 HA2 GLY 51 -5.293 -13.035 5.855 410 HA3 GLY 51 HA3 GLY 51 -6.864 -13.697 5.395 411 HA PRO 52 HA PRO 52 -5.224 -10.500 2.214 412 HB2 PRO 52 HB2 PRO 52 -4.046 -12.100 0.332 413 HB3 PRO 52 HB3 PRO 52 -3.160 -11.464 1.725 414 HG2 PRO 52 HG2 PRO 52 -4.378 -14.193 1.337 415 HG3 PRO 52 HG3 PRO 52 -2.787 -13.765 2.005 416 HD2 PRO 52 HD2 PRO 52 -4.943 -14.382 3.577 417 HD3 PRO 52 HD3 PRO 52 -3.665 -13.266 4.101 418 H ALA 53 H ALA 53 -7.182 -9.969 1.447 419 HA ALA 53 HA ALA 53 -9.221 -11.771 0.626 420 HB1 ALA 53 HB1 ALA 53 -9.015 -8.762 0.198 421 HB2 ALA 53 HB2 ALA 53 -9.732 -9.563 1.592 422 HB3 ALA 53 HB3 ALA 53 -10.485 -9.735 0.008 423 HA PRO 54 HA PRO 54 -8.259 -12.359 -3.742 424 HB2 PRO 54 HB2 PRO 54 -10.806 -12.506 -4.826 425 HB3 PRO 54 HB3 PRO 54 -10.044 -13.829 -3.932 426 HG2 PRO 54 HG2 PRO 54 -12.020 -11.769 -2.956 427 HG3 PRO 54 HG3 PRO 54 -11.994 -13.524 -2.665 428 HD2 PRO 54 HD2 PRO 54 -11.100 -11.779 -0.812 429 HD3 PRO 54 HD3 PRO 54 -10.317 -13.357 -1.037 430 H GLN 55 H GLN 55 -7.261 -10.449 -4.287 431 HA GLN 55 HA GLN 55 -8.530 -7.939 -4.683 432 HB2 GLN 55 HB2 GLN 55 -6.393 -7.225 -5.712 433 HB3 GLN 55 HB3 GLN 55 -6.121 -8.093 -4.205 434 HG2 GLN 55 HG2 GLN 55 -5.553 -10.134 -5.509 435 HG3 GLN 55 HG3 GLN 55 -5.778 -9.224 -7.001 436 HE21 GLN 55 HE21 GLN 55 -4.503 -6.789 -6.094 437 HE22 GLN 55 HE22 GLN 55 -2.812 -7.123 -5.988 438 H SER 56 H SER 56 -9.068 -6.871 -6.613 439 HA SER 56 HA SER 56 -10.134 -8.478 -8.730 440 HB2 SER 56 HB2 SER 56 -10.655 -6.156 -9.726 441 HB3 SER 56 HB3 SER 56 -11.394 -6.537 -8.172 442 HG SER 56 HG SER 56 -9.078 -4.954 -8.633 443 H PHE 57 H PHE 57 -8.374 -9.561 -9.640 444 HA PHE 57 HA PHE 57 -6.318 -7.987 -11.025 445 HB2 PHE 57 HB2 PHE 57 -5.163 -10.142 -11.440 446 HB3 PHE 57 HB3 PHE 57 -5.419 -9.832 -9.732 447 HD1 PHE 57 HD1 PHE 57 -6.389 -11.994 -12.588 448 HD2 PHE 57 HD2 PHE 57 -6.839 -11.277 -8.394 449 HE1 PHE 57 HE1 PHE 57 -7.364 -14.236 -12.305 450 HE2 PHE 57 HE2 PHE 57 -7.816 -13.515 -8.122 451 HZ PHE 57 HZ PHE 57 -8.085 -14.998 -10.074 452 H ALA 58 H ALA 58 -6.141 -7.864 -13.177 453 HA ALA 58 HA ALA 58 -8.071 -9.289 -14.920 454 HB1 ALA 58 HB1 ALA 58 -8.198 -6.840 -15.081 455 HB2 ALA 58 HB2 ALA 58 -7.592 -7.524 -16.588 456 HB3 ALA 58 HB3 ALA 58 -6.473 -6.755 -15.457 457 H ASP 59 H ASP 59 -7.182 -11.021 -15.855 458 HA ASP 59 HA ASP 59 -5.756 -12.574 -16.656 459 HB2 ASP 59 HB2 ASP 59 -5.705 -10.771 -18.481 460 HB3 ASP 59 HB3 ASP 59 -4.182 -10.209 -17.789 461 H ASP 60 H ASP 60 -5.262 -11.725 -13.980 462 HA ASP 60 HA ASP 60 -3.904 -12.146 -12.236 463 HB2 ASP 60 HB2 ASP 60 -2.327 -13.712 -14.315 464 HB3 ASP 60 HB3 ASP 60 -1.931 -13.728 -12.600 465 H GLU 61 H GLU 61 -3.280 -9.817 -14.182 466 HA GLU 61 HA GLU 61 -0.509 -9.234 -13.976 467 HB2 GLU 61 HB2 GLU 61 -2.910 -7.407 -14.369 468 HB3 GLU 61 HB3 GLU 61 -1.232 -6.881 -14.529 469 HG2 GLU 61 HG2 GLU 61 -0.896 -8.449 -16.397 470 HG3 GLU 61 HG3 GLU 61 -2.550 -9.033 -16.218 471 H ASP 62 H ASP 62 -3.326 -8.098 -12.120 472 HA ASP 62 HA ASP 62 -1.985 -6.301 -10.412 473 HB2 ASP 62 HB2 ASP 62 -4.650 -7.703 -9.968 474 HB3 ASP 62 HB3 ASP 62 -4.081 -6.290 -9.079 475 H ILE 63 H ILE 63 -2.132 -9.723 -10.262 476 HA ILE 63 HA ILE 63 -1.908 -10.316 -7.535 477 HB ILE 63 HB ILE 63 -0.550 -11.737 -9.885 478 HG12 ILE 63 HG12 ILE 63 -2.988 -11.606 -10.204 479 HG13 ILE 63 HG13 ILE 63 -2.526 -13.267 -9.850 480 HG21 ILE 63 HG21 ILE 63 -0.514 -13.766 -8.447 481 HG22 ILE 63 HG22 ILE 63 -1.113 -12.808 -7.090 482 HG23 ILE 63 HG23 ILE 63 0.474 -12.464 -7.782 483 HD11 ILE 63 HD11 ILE 63 -3.799 -11.300 -7.959 484 HD12 ILE 63 HD12 ILE 63 -3.253 -12.921 -7.513 485 HD13 ILE 63 HD13 ILE 63 -4.538 -12.718 -8.698 486 H MET 64 H MET 64 0.443 -9.143 -9.825 487 HA MET 64 HA MET 64 2.661 -9.123 -7.858 488 HB2 MET 64 HB2 MET 64 4.132 -9.789 -9.867 489 HB3 MET 64 HB3 MET 64 3.061 -11.038 -9.249 490 HG2 MET 64 HG2 MET 64 1.417 -10.348 -11.071 491 HG3 MET 64 HG3 MET 64 2.741 -9.410 -11.766 492 HE1 MET 64 HE1 MET 64 0.872 -12.124 -12.788 493 HE2 MET 64 HE2 MET 64 2.080 -12.827 -13.870 494 HE3 MET 64 HE3 MET 64 1.789 -11.088 -13.888 495 H ARG 65 H ARG 65 0.719 -7.254 -9.839 496 HA ARG 65 HA ARG 65 2.786 -5.159 -10.203 497 HB2 ARG 65 HB2 ARG 65 0.367 -5.608 -12.011 498 HB3 ARG 65 HB3 ARG 65 1.598 -4.363 -12.196 499 HG2 ARG 65 HG2 ARG 65 1.908 -7.349 -12.621 500 HG3 ARG 65 HG3 ARG 65 2.014 -6.065 -13.827 501 HD2 ARG 65 HD2 ARG 65 3.996 -6.719 -11.623 502 HD3 ARG 65 HD3 ARG 65 4.252 -6.826 -13.363 503 HE ARG 65 HE ARG 65 4.003 -4.317 -13.350 504 HH11 ARG 65 HH11 ARG 65 5.171 -6.009 -10.497 505 HH12 ARG 65 HH12 ARG 65 6.135 -4.672 -9.955 506 HH21 ARG 65 HH21 ARG 65 5.260 -2.572 -12.617 507 HH22 ARG 65 HH22 ARG 65 6.188 -2.725 -11.159 508 H ALA 66 H ALA 66 0.042 -6.002 -8.505 509 HA ALA 66 HA ALA 66 -0.350 -3.233 -7.609 510 HB1 ALA 66 HB1 ALA 66 -2.177 -3.620 -9.242 511 HB2 ALA 66 HB2 ALA 66 -2.800 -3.430 -7.603 512 HB3 ALA 66 HB3 ALA 66 -2.696 -5.037 -8.327 513 H GLU 67 H GLU 67 -1.611 -3.216 -5.503 514 HA GLU 67 HA GLU 67 -0.511 -5.327 -3.789 515 HB2 GLU 67 HB2 GLU 67 -0.010 -2.963 -3.240 516 HB3 GLU 67 HB3 GLU 67 -1.726 -2.628 -3.051 517 HG2 GLU 67 HG2 GLU 67 -1.875 -3.981 -1.074 518 HG3 GLU 67 HG3 GLU 67 -0.296 -4.707 -1.368 519 H ARG 68 H ARG 68 -1.753 -6.679 -2.600 520 HA ARG 68 HA ARG 68 -4.608 -6.853 -3.153 521 HB2 ARG 68 HB2 ARG 68 -4.448 -9.063 -1.966 522 HB3 ARG 68 HB3 ARG 68 -3.370 -8.914 -3.348 523 HG2 ARG 68 HG2 ARG 68 -1.509 -8.354 -1.684 524 HG3 ARG 68 HG3 ARG 68 -2.623 -8.856 -0.407 525 HD2 ARG 68 HD2 ARG 68 -1.110 -10.694 -1.029 526 HD3 ARG 68 HD3 ARG 68 -2.780 -11.107 -1.436 527 HE ARG 68 HE ARG 68 -1.935 -10.086 -3.763 528 HH11 ARG 68 HH11 ARG 68 -0.388 -12.464 -1.701 529 HH12 ARG 68 HH12 ARG 68 0.414 -13.246 -3.024 530 HH21 ARG 68 HH21 ARG 68 -0.862 -11.108 -5.466 531 HH22 ARG 68 HH22 ARG 68 0.155 -12.477 -5.149 532 H ARG 69 H ARG 69 -6.156 -6.337 -1.796 533 HA ARG 69 HA ARG 69 -5.600 -5.078 0.764 534 HB2 ARG 69 HB2 ARG 69 -7.182 -4.170 -0.998 535 HB3 ARG 69 HB3 ARG 69 -8.241 -5.544 -0.703 536 HG2 ARG 69 HG2 ARG 69 -8.728 -4.767 1.540 537 HG3 ARG 69 HG3 ARG 69 -7.486 -3.513 1.425 538 HD2 ARG 69 HD2 ARG 69 -8.747 -2.377 -0.343 539 HD3 ARG 69 HD3 ARG 69 -9.963 -3.657 -0.334 540 HE ARG 69 HE ARG 69 -9.924 -2.688 2.234 541 HH11 ARG 69 HH11 ARG 69 -10.476 -1.226 -0.913 542 HH12 ARG 69 HH12 ARG 69 -11.607 -0.065 -0.294 543 HH21 ARG 69 HH21 ARG 69 -11.387 -1.167 3.012 544 HH22 ARG 69 HH22 ARG 69 -12.105 -0.028 1.921 545 H PHE 70 H PHE 70 -6.788 -5.816 2.708 546 HA PHE 70 HA PHE 70 -6.869 -8.767 2.832 547 HB2 PHE 70 HB2 PHE 70 -6.360 -6.606 4.909 548 HB3 PHE 70 HB3 PHE 70 -6.744 -8.259 5.383 549 HD1 PHE 70 HD1 PHE 70 -4.481 -6.738 2.767 550 HD2 PHE 70 HD2 PHE 70 -4.842 -9.386 6.107 551 HE1 PHE 70 HE1 PHE 70 -2.106 -7.348 2.544 552 HE2 PHE 70 HE2 PHE 70 -2.473 -9.983 5.873 553 HZ PHE 70 HZ PHE 70 -1.104 -8.969 4.098 554 H GLU 71 H GLU 71 -8.350 -9.547 4.648 555 HA GLU 71 HA GLU 71 -10.948 -8.191 4.786 556 HB2 GLU 71 HB2 GLU 71 -12.142 -10.300 4.297 557 HB3 GLU 71 HB3 GLU 71 -11.152 -9.813 2.926 558 HG2 GLU 71 HG2 GLU 71 -9.476 -11.492 3.457 559 HG3 GLU 71 HG3 GLU 71 -10.322 -11.923 4.946 560 H THR 72 H THR 72 -12.136 -8.804 6.641 561 HA THR 72 HA THR 72 -10.573 -9.839 8.855 562 HB THR 72 HB THR 72 -13.488 -8.911 8.843 563 HG1 THR 72 HG1 THR 72 -11.597 -7.170 9.813 564 HG21 THR 72 HG21 THR 72 -13.120 -8.468 11.237 565 HG22 THR 72 HG22 THR 72 -11.463 -9.056 11.114 566 HG23 THR 72 HG23 THR 72 -12.811 -10.173 10.887 567 H ARG 73 H ARG 73 -10.372 -12.034 8.757 568 HA ARG 73 HA ARG 73 -12.249 -13.904 7.740 569 HB2 ARG 73 HB2 ARG 73 -9.969 -14.394 9.727 570 HB3 ARG 73 HB3 ARG 73 -10.786 -15.626 8.769 571 HG2 ARG 73 HG2 ARG 73 -9.030 -13.389 7.697 572 HG3 ARG 73 HG3 ARG 73 -8.593 -15.097 7.819 573 HD2 ARG 73 HD2 ARG 73 -10.826 -13.967 6.087 574 HD3 ARG 73 HD3 ARG 73 -9.225 -14.441 5.509 575 HE ARG 73 HE ARG 73 -10.408 -16.622 6.839 576 HH11 ARG 73 HH11 ARG 73 -10.905 -14.813 3.856 577 HH12 ARG 73 HH12 ARG 73 -11.562 -16.178 3.018 578 HH21 ARG 73 HH21 ARG 73 -11.289 -18.365 5.710 579 HH22 ARG 73 HH22 ARG 73 -11.782 -18.167 4.059 580 H LEU 74 H LEU 74 -11.187 -13.398 11.101 581 HA LEU 74 HA LEU 74 -13.876 -14.136 12.140 582 HB2 LEU 74 HB2 LEU 74 -11.104 -14.591 13.328 583 HB3 LEU 74 HB3 LEU 74 -12.605 -14.904 14.192 584 HG LEU 74 HG LEU 74 -11.904 -16.306 11.577 585 HD11 LEU 74 HD11 LEU 74 -11.361 -17.311 14.386 586 HD12 LEU 74 HD12 LEU 74 -10.161 -16.883 13.165 587 HD13 LEU 74 HD13 LEU 74 -11.219 -18.265 12.904 588 HD21 LEU 74 HD21 LEU 74 -14.293 -16.315 12.134 589 HD22 LEU 74 HD22 LEU 74 -13.944 -16.976 13.735 590 HD23 LEU 74 HD23 LEU 74 -13.619 -17.936 12.289 591 H ALA 75 H ALA 75 -14.509 -12.946 14.111 592 HA ALA 75 HA ALA 75 -12.994 -10.579 14.838 593 HB1 ALA 75 HB1 ALA 75 -14.185 -9.855 12.788 594 HB2 ALA 75 HB2 ALA 75 -14.699 -8.956 14.213 595 HB3 ALA 75 HB3 ALA 75 -15.730 -10.233 13.555 596 H GLY 76 H GLY 76 -13.376 -9.940 16.874 597 HA2 GLY 76 HA2 GLY 76 -14.260 -9.751 18.982 598 HA3 GLY 76 HA3 GLY 76 -15.837 -10.073 18.281 599 H VAL 77 H VAL 77 -13.174 -12.303 18.025 600 HA VAL 77 HA VAL 77 -14.596 -14.290 19.711 601 HB VAL 77 HB VAL 77 -13.575 -16.032 18.236 602 HG11 VAL 77 HG11 VAL 77 -15.038 -15.681 16.264 603 HG12 VAL 77 HG12 VAL 77 -15.253 -13.990 16.720 604 HG13 VAL 77 HG13 VAL 77 -15.874 -15.270 17.764 605 HG21 VAL 77 HG21 VAL 77 -11.592 -14.802 17.429 606 HG22 VAL 77 HG22 VAL 77 -12.623 -13.686 16.532 607 HG23 VAL 77 HG23 VAL 77 -12.542 -15.384 16.058 608 H GLU 78 H GLU 78 -12.947 -16.118 20.383 609 HA GLU 78 HA GLU 78 -10.810 -14.815 21.880 610 HB2 GLU 78 HB2 GLU 78 -10.625 -16.945 23.099 611 HB3 GLU 78 HB3 GLU 78 -12.305 -16.413 23.038 612 HG2 GLU 78 HG2 GLU 78 -12.682 -18.005 21.140 613 HG3 GLU 78 HG3 GLU 78 -11.036 -18.600 21.359 614 H GLY 79 H GLY 79 -8.678 -15.958 22.047 615 HA2 GLY 79 HA2 GLY 79 -7.309 -16.102 19.597 616 HA3 GLY 79 HA3 GLY 79 -6.680 -16.580 21.159 617 H GLU 80 H GLU 80 -8.929 -18.576 21.406 618 HA GLU 80 HA GLU 80 -7.631 -20.853 20.274 619 HB2 GLU 80 HB2 GLU 80 -8.990 -20.858 22.393 620 HB3 GLU 80 HB3 GLU 80 -10.441 -20.658 21.421 621 HG2 GLU 80 HG2 GLU 80 -10.026 -22.838 20.339 622 HG3 GLU 80 HG3 GLU 80 -8.564 -23.043 21.303 623 H GLU 81 H GLU 81 -10.548 -18.981 19.427 624 HA GLU 81 HA GLU 81 -11.378 -20.456 17.151 625 HB2 GLU 81 HB2 GLU 81 -11.711 -17.481 17.744 626 HB3 GLU 81 HB3 GLU 81 -12.585 -18.358 16.487 627 HG2 GLU 81 HG2 GLU 81 -12.780 -18.891 19.466 628 HG3 GLU 81 HG3 GLU 81 -13.927 -17.938 18.525 629 H ILE 82 H ILE 82 -9.162 -17.766 17.605 630 HA ILE 82 HA ILE 82 -8.558 -17.131 14.944 631 HB ILE 82 HB ILE 82 -6.796 -16.887 17.428 632 HG12 ILE 82 HG12 ILE 82 -8.891 -15.661 17.742 633 HG13 ILE 82 HG13 ILE 82 -7.595 -14.499 17.492 634 HG21 ILE 82 HG21 ILE 82 -5.541 -15.140 16.216 635 HG22 ILE 82 HG22 ILE 82 -6.485 -15.471 14.763 636 HG23 ILE 82 HG23 ILE 82 -5.416 -16.708 15.422 637 HD11 ILE 82 HD11 ILE 82 -9.678 -15.343 15.481 638 HD12 ILE 82 HD12 ILE 82 -8.338 -14.240 15.152 639 HD13 ILE 82 HD13 ILE 82 -9.570 -13.804 16.333 640 H ALA 83 H ALA 83 -6.707 -19.188 17.225 641 HA ALA 83 HA ALA 83 -4.785 -20.076 15.318 642 HB1 ALA 83 HB1 ALA 83 -4.284 -19.970 17.717 643 HB2 ALA 83 HB2 ALA 83 -4.026 -21.602 17.099 644 HB3 ALA 83 HB3 ALA 83 -5.477 -21.231 18.034 645 H ALA 84 H ALA 84 -7.976 -21.168 16.133 646 HA ALA 84 HA ALA 84 -7.918 -23.829 15.178 647 HB1 ALA 84 HB1 ALA 84 -10.259 -21.890 15.157 648 HB2 ALA 84 HB2 ALA 84 -9.790 -22.919 16.510 649 HB3 ALA 84 HB3 ALA 84 -10.360 -23.649 15.007 650 H LEU 85 H LEU 85 -8.209 -20.720 13.475 651 HA LEU 85 HA LEU 85 -8.524 -21.979 10.875 652 HB2 LEU 85 HB2 LEU 85 -9.420 -19.698 11.242 653 HB3 LEU 85 HB3 LEU 85 -7.795 -19.111 11.545 654 HG LEU 85 HG LEU 85 -7.560 -20.377 9.046 655 HD11 LEU 85 HD11 LEU 85 -10.175 -18.916 8.984 656 HD12 LEU 85 HD12 LEU 85 -9.901 -20.650 8.773 657 HD13 LEU 85 HD13 LEU 85 -9.260 -19.511 7.594 658 HD21 LEU 85 HD21 LEU 85 -7.328 -18.095 8.113 659 HD22 LEU 85 HD22 LEU 85 -6.364 -18.424 9.548 660 HD23 LEU 85 HD23 LEU 85 -7.839 -17.443 9.676 661 H LEU 86 H LEU 86 -5.834 -20.430 12.703 662 HA LEU 86 HA LEU 86 -3.964 -20.340 10.606 663 HB2 LEU 86 HB2 LEU 86 -3.592 -20.326 13.610 664 HB3 LEU 86 HB3 LEU 86 -2.189 -20.432 12.571 665 HG LEU 86 HG LEU 86 -2.352 -18.140 13.108 666 HD11 LEU 86 HD11 LEU 86 -1.935 -18.539 10.721 667 HD12 LEU 86 HD12 LEU 86 -2.755 -17.010 11.002 668 HD13 LEU 86 HD13 LEU 86 -3.664 -18.392 10.383 669 HD21 LEU 86 HD21 LEU 86 -4.587 -18.086 14.045 670 HD22 LEU 86 HD22 LEU 86 -5.303 -18.197 12.438 671 HD23 LEU 86 HD23 LEU 86 -4.372 -16.766 12.897 672 H GLU 87 H GLU 87 -4.861 -23.029 12.672 673 HA GLU 87 HA GLU 87 -2.690 -24.757 11.985 674 HB2 GLU 87 HB2 GLU 87 -4.033 -26.584 12.923 675 HB3 GLU 87 HB3 GLU 87 -4.064 -25.183 13.990 676 HG2 GLU 87 HG2 GLU 87 -6.296 -24.599 13.296 677 HG3 GLU 87 HG3 GLU 87 -6.283 -25.816 12.022 678 H ARG 88 H ARG 88 -5.807 -24.034 10.507 679 HA ARG 88 HA ARG 88 -5.849 -26.224 8.630 680 HB2 ARG 88 HB2 ARG 88 -7.435 -23.612 8.656 681 HB3 ARG 88 HB3 ARG 88 -7.788 -25.012 7.640 682 HG2 ARG 88 HG2 ARG 88 -8.318 -26.360 9.600 683 HG3 ARG 88 HG3 ARG 88 -7.837 -25.048 10.677 684 HD2 ARG 88 HD2 ARG 88 -9.689 -23.661 9.815 685 HD3 ARG 88 HD3 ARG 88 -10.170 -24.971 8.727 686 HE ARG 88 HE ARG 88 -10.135 -26.049 11.280 687 HH11 ARG 88 HH11 ARG 88 -11.934 -23.487 9.686 688 HH12 ARG 88 HH12 ARG 88 -13.336 -23.705 10.680 689 HH21 ARG 88 HH21 ARG 88 -11.976 -26.331 12.541 690 HH22 ARG 88 HH22 ARG 88 -13.366 -25.322 12.285 691 H GLU 89 H GLU 89 -5.069 -22.758 8.475 692 HA GLU 89 HA GLU 89 -4.634 -22.596 5.698 693 HB2 GLU 89 HB2 GLU 89 -3.509 -20.792 7.886 694 HB3 GLU 89 HB3 GLU 89 -3.583 -20.406 6.165 695 HG2 GLU 89 HG2 GLU 89 -5.879 -20.749 8.095 696 HG3 GLU 89 HG3 GLU 89 -5.344 -19.263 7.313 697 H ARG 90 H ARG 90 -2.426 -23.095 8.428 698 HA ARG 90 HA ARG 90 -0.032 -23.207 6.876 699 HB2 ARG 90 HB2 ARG 90 1.128 -23.911 8.845 700 HB3 ARG 90 HB3 ARG 90 -0.108 -22.768 9.363 701 HG2 ARG 90 HG2 ARG 90 -1.549 -24.708 10.022 702 HG3 ARG 90 HG3 ARG 90 -0.212 -25.788 9.621 703 HD2 ARG 90 HD2 ARG 90 1.185 -24.625 11.337 704 HD3 ARG 90 HD3 ARG 90 -0.222 -23.636 11.765 705 HE ARG 90 HE ARG 90 -0.522 -26.549 11.878 706 HH11 ARG 90 HH11 ARG 90 -0.088 -23.593 13.709 707 HH12 ARG 90 HH12 ARG 90 -0.614 -24.302 15.201 708 HH21 ARG 90 HH21 ARG 90 -1.235 -27.456 13.818 709 HH22 ARG 90 HH22 ARG 90 -1.252 -26.492 15.264 710 H ARG 91 H ARG 91 -2.453 -25.591 7.652 711 HA ARG 91 HA ARG 91 -1.056 -27.981 7.080 712 HB2 ARG 91 HB2 ARG 91 -3.348 -27.675 8.229 713 HB3 ARG 91 HB3 ARG 91 -4.040 -27.522 6.625 714 HG2 ARG 91 HG2 ARG 91 -2.497 -29.982 7.515 715 HG3 ARG 91 HG3 ARG 91 -4.227 -29.801 7.787 716 HD2 ARG 91 HD2 ARG 91 -4.582 -29.641 5.338 717 HD3 ARG 91 HD3 ARG 91 -2.845 -29.840 5.079 718 HE ARG 91 HE ARG 91 -3.916 -31.974 6.639 719 HH11 ARG 91 HH11 ARG 91 -3.639 -30.896 3.296 720 HH12 ARG 91 HH12 ARG 91 -3.868 -32.492 2.658 721 HH21 ARG 91 HH21 ARG 91 -4.211 -34.038 5.767 722 HH22 ARG 91 HH22 ARG 91 -4.191 -34.261 4.046 723 H PHE 92 H PHE 92 -3.031 -25.831 5.018 724 HA PHE 92 HA PHE 92 -2.557 -27.317 2.592 725 HB2 PHE 92 HB2 PHE 92 -3.845 -24.621 3.166 726 HB3 PHE 92 HB3 PHE 92 -3.632 -25.222 1.532 727 HD1 PHE 92 HD2 PHE 92 -5.303 -25.966 4.779 728 HD2 PHE 92 HD1 PHE 92 -5.146 -26.831 0.599 729 HE1 PHE 92 HE2 PHE 92 -7.408 -27.223 4.961 730 HE2 PHE 92 HE1 PHE 92 -7.251 -28.093 0.788 731 HZ PHE 92 HZ PHE 92 -8.383 -28.290 2.964 732 H ASP 93 H ASP 93 -1.331 -24.284 3.984 733 HA ASP 93 HA ASP 93 1.153 -24.461 2.501 734 HB2 ASP 93 HB2 ASP 93 0.980 -22.110 1.588 735 HB3 ASP 93 HB3 ASP 93 -0.139 -23.250 0.845 736 H SER 94 H SER 94 2.456 -24.442 4.163 737 HA SER 94 HA SER 94 2.022 -23.143 6.654 738 HB2 SER 94 HB2 SER 94 3.355 -25.216 6.445 739 HB3 SER 94 HB3 SER 94 4.588 -24.351 5.530 740 HG SER 94 HG SER 94 4.591 -24.682 8.060 741 H ASP 95 H ASP 95 3.443 -22.142 3.684 742 HA ASP 95 HA ASP 95 5.297 -20.188 4.609 743 HB2 ASP 95 HB2 ASP 95 5.342 -19.483 2.189 744 HB3 ASP 95 HB3 ASP 95 5.625 -21.199 2.451 745 H LEU 96 H LEU 96 2.140 -19.917 5.195 746 HA LEU 96 HA LEU 96 1.754 -17.115 4.714 747 HB2 LEU 96 HB2 LEU 96 -0.217 -17.324 5.993 748 HB3 LEU 96 HB3 LEU 96 -0.040 -18.887 5.223 749 HG LEU 96 HG LEU 96 1.265 -19.253 7.705 750 HD11 LEU 96 HD11 LEU 96 -1.240 -17.641 8.209 751 HD12 LEU 96 HD12 LEU 96 0.416 -17.146 8.565 752 HD13 LEU 96 HD13 LEU 96 -0.298 -18.506 9.429 753 HD21 LEU 96 HD21 LEU 96 -0.161 -20.906 6.614 754 HD22 LEU 96 HD22 LEU 96 -1.592 -19.973 7.055 755 HD23 LEU 96 HD23 LEU 96 -0.580 -20.694 8.311 756 H TRP 97 H TRP 97 1.615 -15.562 6.549 757 HA TRP 97 HA TRP 97 3.756 -15.884 8.594 758 HB2 TRP 97 HB2 TRP 97 2.803 -13.381 7.111 759 HB3 TRP 97 HB3 TRP 97 3.940 -13.366 8.454 760 HD1 TRP 97 HD1 TRP 97 3.944 -15.485 5.148 761 HE1 TRP 97 HE1 TRP 97 6.246 -15.177 4.064 762 HE3 TRP 97 HE3 TRP 97 5.938 -12.142 8.431 763 HZ2 TRP 97 HZ2 TRP 97 8.583 -13.691 4.497 764 HZ3 TRP 97 HZ3 TRP 97 8.213 -11.285 8.010 765 HH2 TRP 97 HH2 TRP 97 9.501 -12.055 6.080 766 H VAL 98 H VAL 98 3.010 -15.720 10.658 767 HA VAL 98 HA VAL 98 0.295 -14.623 11.130 768 HB VAL 98 HB VAL 98 1.951 -16.275 13.095 769 HG11 VAL 98 HG11 VAL 98 -0.968 -15.389 13.173 770 HG12 VAL 98 HG12 VAL 98 0.335 -14.781 14.196 771 HG13 VAL 98 HG13 VAL 98 -0.195 -16.454 14.355 772 HG21 VAL 98 HG21 VAL 98 1.337 -17.684 11.186 773 HG22 VAL 98 HG22 VAL 98 -0.345 -17.162 11.306 774 HG23 VAL 98 HG23 VAL 98 0.373 -18.135 12.595 775 H VAL 99 H VAL 99 0.092 -12.750 12.175 776 HA VAL 99 HA VAL 99 2.421 -11.584 13.610 777 HB VAL 99 HB VAL 99 0.506 -9.841 11.999 778 HG11 VAL 99 HG11 VAL 99 3.332 -9.335 12.967 779 HG12 VAL 99 HG12 VAL 99 1.851 -8.701 13.687 780 HG13 VAL 99 HG13 VAL 99 2.332 -8.192 12.066 781 HG21 VAL 99 HG21 VAL 99 3.096 -10.987 10.888 782 HG22 VAL 99 HG22 VAL 99 2.085 -9.774 10.099 783 HG23 VAL 99 HG23 VAL 99 1.468 -11.408 10.348 784 H GLU 100 H GLU 100 1.769 -11.288 15.720 785 HA GLU 100 HA GLU 100 -1.040 -10.773 16.346 786 HB2 GLU 100 HB2 GLU 100 -0.328 -10.697 18.700 787 HB3 GLU 100 HB3 GLU 100 0.290 -12.151 17.926 788 HG2 GLU 100 HG2 GLU 100 2.527 -11.199 17.785 789 HG3 GLU 100 HG3 GLU 100 1.947 -9.643 18.376 790 H ILE 101 H ILE 101 -1.872 -8.775 16.545 791 HA ILE 101 HA ILE 101 -0.105 -6.479 17.098 792 HB ILE 101 HB ILE 101 -1.509 -4.997 15.691 793 HG12 ILE 101 HG12 ILE 101 -2.841 -7.514 14.570 794 HG13 ILE 101 HG13 ILE 101 -3.613 -6.434 15.718 795 HG21 ILE 101 HG21 ILE 101 -0.679 -5.710 13.463 796 HG22 ILE 101 HG22 ILE 101 -0.330 -7.318 14.103 797 HG23 ILE 101 HG23 ILE 101 0.552 -5.918 14.709 798 HD11 ILE 101 HD11 ILE 101 -2.735 -5.725 12.934 799 HD12 ILE 101 HD12 ILE 101 -3.470 -4.612 14.092 800 HD13 ILE 101 HD13 ILE 101 -4.386 -5.994 13.490 801 H GLU 102 H GLU 102 -0.708 -5.470 18.915 802 HA GLU 102 HA GLU 102 -3.312 -6.107 20.143 803 HB2 GLU 102 HB2 GLU 102 -1.009 -6.542 21.317 804 HB3 GLU 102 HB3 GLU 102 -0.948 -4.800 21.566 805 HG2 GLU 102 HG2 GLU 102 -3.100 -6.693 22.589 806 HG3 GLU 102 HG3 GLU 102 -1.775 -6.036 23.544 807 H THR 103 H THR 103 -4.744 -4.645 19.483 808 HA THR 103 HA THR 103 -4.510 -1.841 19.991 809 HB THR 103 HB THR 103 -3.186 -1.804 17.941 810 HG1 THR 103 HG1 THR 103 -5.165 -0.797 16.561 811 HG21 THR 103 HG21 THR 103 -5.472 -3.246 16.551 812 HG22 THR 103 HG22 THR 103 -3.898 -3.947 16.938 813 HG23 THR 103 HG23 THR 103 -4.012 -2.625 15.774 814 H ASP 104 H ASP 104 -6.553 -0.732 19.532 815 HA ASP 104 HA ASP 104 -8.860 -2.556 19.607 816 HB2 ASP 104 HB2 ASP 104 -10.118 -0.749 20.565 817 HB3 ASP 104 HB3 ASP 104 -8.555 -0.737 21.366 818 H GLU 105 H GLU 105 -7.355 -0.174 17.617 819 HA GLU 105 HA GLU 105 -9.561 -0.117 15.647 820 HB2 GLU 105 HB2 GLU 105 -8.189 1.839 14.687 821 HB3 GLU 105 HB3 GLU 105 -8.946 2.099 16.247 822 HG2 GLU 105 HG2 GLU 105 -6.716 1.513 17.319 823 HG3 GLU 105 HG3 GLU 105 -6.018 1.567 15.695 824 H ILE 106 H ILE 106 -9.031 -0.471 13.406 825 HA ILE 106 HA ILE 106 -6.599 -2.085 12.982 826 HB ILE 106 HB ILE 106 -8.536 -3.586 13.272 827 HG12 ILE 106 HG12 ILE 106 -8.260 -4.903 11.156 828 HG13 ILE 106 HG13 ILE 106 -7.452 -3.528 10.414 829 HG21 ILE 106 HG21 ILE 106 -9.783 -2.202 10.879 830 HG22 ILE 106 HG22 ILE 106 -10.369 -2.155 12.543 831 HG23 ILE 106 HG23 ILE 106 -10.391 -3.674 11.644 832 HD11 ILE 106 HD11 ILE 106 -5.637 -3.726 12.024 833 HD12 ILE 106 HD12 ILE 106 -5.901 -5.240 11.165 834 HD13 ILE 106 HD13 ILE 106 -6.474 -5.061 12.821 835 H GLY 107 H GLY 107 -8.966 0.141 11.537 836 HA2 GLY 107 HA2 GLY 107 -8.389 -0.368 8.813 837 HA3 GLY 107 HA3 GLY 107 -9.180 1.069 9.446 838 H THR 108 H THR 108 -7.175 2.097 11.029 839 HA THR 108 HA THR 108 -5.664 3.616 9.208 840 HB THR 108 HB THR 108 -6.413 4.482 11.381 841 HG1 THR 108 HG1 THR 108 -3.565 4.504 11.362 842 HG21 THR 108 HG21 THR 108 -6.092 2.483 12.797 843 HG22 THR 108 HG22 THR 108 -5.269 3.879 13.489 844 HG23 THR 108 HG23 THR 108 -4.335 2.648 12.641 845 H LEU 109 H LEU 109 -4.943 0.577 10.703 846 HA LEU 109 HA LEU 109 -2.061 0.812 10.062 847 HB2 LEU 109 HB2 LEU 109 -1.727 -0.792 12.036 848 HB3 LEU 109 HB3 LEU 109 -2.112 0.874 12.397 849 HG LEU 109 HG LEU 109 -4.629 -0.111 12.538 850 HD11 LEU 109 HD11 LEU 109 -4.733 -2.322 13.529 851 HD12 LEU 109 HD12 LEU 109 -2.992 -2.524 13.353 852 HD13 LEU 109 HD13 LEU 109 -4.018 -2.413 11.919 853 HD21 LEU 109 HD21 LEU 109 -2.626 -0.358 14.804 854 HD22 LEU 109 HD22 LEU 109 -4.384 -0.289 14.976 855 HD23 LEU 109 HD23 LEU 109 -3.505 1.102 14.345 856 H LEU 110 H LEU 110 -4.836 -0.716 9.131 857 HA LEU 110 HA LEU 110 -3.493 -2.495 7.356 858 HB2 LEU 110 HB2 LEU 110 -3.361 -3.900 9.415 859 HB3 LEU 110 HB3 LEU 110 -5.101 -3.784 9.611 860 HG LEU 110 HG LEU 110 -5.407 -5.036 7.473 861 HD11 LEU 110 HD11 LEU 110 -3.519 -6.182 6.410 862 HD12 LEU 110 HD12 LEU 110 -2.398 -5.346 7.485 863 HD13 LEU 110 HD13 LEU 110 -3.354 -4.430 6.317 864 HD21 LEU 110 HD21 LEU 110 -4.771 -7.254 8.321 865 HD22 LEU 110 HD22 LEU 110 -5.443 -6.260 9.611 866 HD23 LEU 110 HD23 LEU 110 -3.697 -6.509 9.511 867 H THR 111 H THR 111 -4.742 -2.554 5.577 868 HA THR 111 HA THR 111 -7.393 -1.329 5.652 869 HB THR 111 HB THR 111 -5.798 -2.195 3.195 870 HG1 THR 111 HG1 THR 111 -5.866 0.463 4.109 871 HG21 THR 111 HG21 THR 111 -7.163 -0.484 2.046 872 HG22 THR 111 HG22 THR 111 -8.014 -0.139 3.556 873 HG23 THR 111 HG23 THR 111 -8.198 -1.716 2.783 874 H LEU 112 H LEU 112 -9.301 -2.362 5.151 875 HA LEU 112 HA LEU 112 -9.287 -5.267 4.525 876 HB2 LEU 112 HB2 LEU 112 -10.974 -3.897 6.658 877 HB3 LEU 112 HB3 LEU 112 -11.030 -5.607 6.240 878 HG LEU 112 HG LEU 112 -8.533 -4.280 7.345 879 HD11 LEU 112 HD11 LEU 112 -10.255 -3.996 8.983 880 HD12 LEU 112 HD12 LEU 112 -9.103 -5.219 9.512 881 HD13 LEU 112 HD13 LEU 112 -10.678 -5.709 8.889 882 HD21 LEU 112 HD21 LEU 112 -7.817 -6.566 7.847 883 HD22 LEU 112 HD22 LEU 112 -8.141 -6.380 6.126 884 HD23 LEU 112 HD23 LEU 112 -9.312 -7.204 7.157 885 H VAL 113 H VAL 113 -11.065 -6.013 3.367 886 HA VAL 113 HA VAL 113 -12.862 -4.107 2.093 887 HB VAL 113 HB VAL 113 -13.702 -6.079 0.795 888 HG11 VAL 113 HG11 VAL 113 -10.670 -5.846 0.776 889 HG12 VAL 113 HG12 VAL 113 -11.798 -4.814 -0.104 890 HG13 VAL 113 HG13 VAL 113 -11.658 -6.522 -0.524 891 HG21 VAL 113 HG21 VAL 113 -11.643 -7.705 2.345 892 HG22 VAL 113 HG22 VAL 113 -12.596 -8.289 0.978 893 HG23 VAL 113 HG23 VAL 113 -13.398 -7.855 2.490 894 H ASP 114 H ASP 114 -12.861 -6.227 4.817 895 HA ASP 114 HA ASP 114 -15.753 -6.615 4.924 896 HB2 ASP 114 HB2 ASP 114 -14.241 -8.479 5.553 897 HB3 ASP 114 HB3 ASP 114 -13.537 -7.499 6.832 898 H GLN 115 H GLN 115 -13.412 -5.508 7.441 899 HA GLN 115 HA GLN 115 -15.314 -3.849 8.776 900 HB2 GLN 115 HB2 GLN 115 -12.278 -3.972 9.005 901 HB3 GLN 115 HB3 GLN 115 -13.279 -2.963 10.042 902 HG2 GLN 115 HG2 GLN 115 -13.405 -5.993 9.873 903 HG3 GLN 115 HG3 GLN 115 -12.595 -5.067 11.135 904 HE21 GLN 115 HE21 GLN 115 -15.674 -6.093 9.861 905 HE22 GLN 115 HE22 GLN 115 -16.633 -5.601 11.216 906 HA PRO 116 HA PRO 116 -15.089 -0.161 6.228 907 HB2 PRO 116 HB2 PRO 116 -15.911 1.765 7.987 908 HB3 PRO 116 HB3 PRO 116 -17.009 0.525 7.359 909 HG2 PRO 116 HG2 PRO 116 -15.507 0.571 9.983 910 HG3 PRO 116 HG3 PRO 116 -17.229 0.232 9.691 911 HD2 PRO 116 HD2 PRO 116 -15.432 -1.761 10.030 912 HD3 PRO 116 HD3 PRO 116 -16.799 -1.938 8.905 913 H GLN 117 H GLN 117 -14.104 1.999 6.075 914 HA GLN 117 HA GLN 117 -11.327 1.947 6.747 915 HB2 GLN 117 HB2 GLN 117 -12.924 4.280 5.596 916 HB3 GLN 117 HB3 GLN 117 -11.176 4.093 5.559 917 HG2 GLN 117 HG2 GLN 117 -13.139 2.283 4.118 918 HG3 GLN 117 HG3 GLN 117 -12.309 3.648 3.382 919 HE21 GLN 117 HE21 GLN 117 -11.258 2.440 1.844 920 HE22 GLN 117 HE22 GLN 117 -10.001 1.309 2.199 921 H ALA 118 H ALA 118 -10.534 2.478 8.699 922 HA ALA 118 HA ALA 118 -11.296 4.913 10.074 923 HB1 ALA 118 HB1 ALA 118 -11.962 3.805 12.184 924 HB2 ALA 118 HB2 ALA 118 -11.842 2.225 11.406 925 HB3 ALA 118 HB3 ALA 118 -13.059 3.384 10.870 Start of MODEL 17 1 H MET 1 H MET 1 1.151 0.613 -2.473 2 HA MET 1 HA MET 1 3.473 0.765 -2.107 3 HB2 MET 1 HB2 MET 1 4.422 0.058 0.134 4 HB3 MET 1 HB3 MET 1 3.559 1.585 0.166 5 HG2 MET 1 HG2 MET 1 1.613 0.479 1.177 6 HG3 MET 1 HG3 MET 1 2.455 -1.070 1.111 7 HE1 MET 1 HE1 MET 1 2.522 -0.447 4.953 8 HE2 MET 1 HE2 MET 1 2.181 -1.600 3.663 9 HE3 MET 1 HE3 MET 1 1.195 -0.145 3.832 10 H ARG 2 H ARG 2 3.392 -0.912 -3.649 11 HA ARG 2 HA ARG 2 2.816 -3.619 -2.886 12 HB2 ARG 2 HB2 ARG 2 2.620 -2.985 -5.261 13 HB3 ARG 2 HB3 ARG 2 4.351 -2.635 -5.327 14 HG2 ARG 2 HG2 ARG 2 4.797 -5.040 -4.708 15 HG3 ARG 2 HG3 ARG 2 3.060 -5.337 -4.802 16 HD2 ARG 2 HD2 ARG 2 3.056 -4.929 -7.184 17 HD3 ARG 2 HD3 ARG 2 4.732 -4.362 -7.144 18 HE ARG 2 HE ARG 2 5.453 -6.533 -7.153 19 HH11 ARG 2 HH11 ARG 2 2.029 -6.599 -6.346 20 HH12 ARG 2 HH12 ARG 2 1.927 -8.325 -6.406 21 HH21 ARG 2 HH21 ARG 2 5.304 -8.801 -7.213 22 HH22 ARG 2 HH22 ARG 2 3.787 -9.574 -6.885 23 H LEU 3 H LEU 3 4.059 -4.911 -1.793 24 HA LEU 3 HA LEU 3 6.946 -4.904 -1.950 25 HB2 LEU 3 HB2 LEU 3 6.868 -4.887 0.745 26 HB3 LEU 3 HB3 LEU 3 7.075 -3.427 -0.193 27 HG LEU 3 HG LEU 3 4.660 -2.889 0.090 28 HD11 LEU 3 HD11 LEU 3 3.705 -5.100 0.308 29 HD12 LEU 3 HD12 LEU 3 3.268 -4.109 1.697 30 HD13 LEU 3 HD13 LEU 3 4.526 -5.339 1.853 31 HD21 LEU 3 HD21 LEU 3 6.287 -1.953 1.673 32 HD22 LEU 3 HD22 LEU 3 6.093 -3.355 2.729 33 HD23 LEU 3 HD23 LEU 3 4.739 -2.254 2.461 34 H LYS 4 H LYS 4 7.773 -6.744 -0.385 35 HA LYS 4 HA LYS 4 6.386 -9.168 -0.996 36 HB2 LYS 4 HB2 LYS 4 8.618 -8.731 1.033 37 HB3 LYS 4 HB3 LYS 4 8.079 -10.293 0.416 38 HG2 LYS 4 HG2 LYS 4 8.794 -9.536 -1.884 39 HG3 LYS 4 HG3 LYS 4 9.496 -8.099 -1.130 40 HD2 LYS 4 HD2 LYS 4 10.303 -11.004 -0.698 41 HD3 LYS 4 HD3 LYS 4 11.264 -9.732 -1.453 42 HE2 LYS 4 HE2 LYS 4 10.463 -9.871 1.482 43 HE3 LYS 4 HE3 LYS 4 12.064 -10.203 0.822 44 HZ1 LYS 4 HZ1 LYS 4 10.694 -7.577 0.601 45 HZ2 LYS 4 HZ2 LYS 4 12.297 -7.929 0.183 46 HZ3 LYS 4 HZ3 LYS 4 11.811 -7.970 1.804 47 H SER 5 H SER 5 5.724 -10.760 0.674 48 HA SER 5 HA SER 5 3.730 -9.832 2.430 49 HB2 SER 5 HB2 SER 5 5.178 -12.516 2.396 50 HB3 SER 5 HB3 SER 5 3.588 -12.200 3.093 51 HG SER 5 HG SER 5 3.757 -13.103 0.848 52 H GLU 6 H GLU 6 7.100 -10.735 2.954 53 HA GLU 6 HA GLU 6 7.296 -10.475 5.767 54 HB2 GLU 6 HB2 GLU 6 9.012 -11.644 4.533 55 HB3 GLU 6 HB3 GLU 6 9.306 -10.275 3.481 56 HG2 GLU 6 HG2 GLU 6 9.931 -10.150 6.442 57 HG3 GLU 6 HG3 GLU 6 11.058 -10.880 5.302 58 H MET 7 H MET 7 7.967 -8.217 3.105 59 HA MET 7 HA MET 7 8.749 -6.046 4.776 60 HB2 MET 7 HB2 MET 7 9.404 -6.366 2.359 61 HB3 MET 7 HB3 MET 7 7.769 -5.922 1.895 62 HG2 MET 7 HG2 MET 7 9.217 -4.030 1.580 63 HG3 MET 7 HG3 MET 7 8.139 -3.674 2.924 64 HE1 MET 7 HE1 MET 7 9.040 -4.033 5.573 65 HE2 MET 7 HE2 MET 7 9.106 -2.391 4.930 66 HE3 MET 7 HE3 MET 7 10.467 -3.031 5.849 67 H PHE 8 H PHE 8 5.665 -7.321 3.813 68 HA PHE 8 HA PHE 8 4.095 -4.959 4.249 69 HB2 PHE 8 HB2 PHE 8 3.296 -6.933 2.839 70 HB3 PHE 8 HB3 PHE 8 3.115 -7.858 4.329 71 HD1 PHE 8 HD2 PHE 8 1.366 -7.158 6.036 72 HD2 PHE 8 HD1 PHE 8 1.648 -5.251 2.214 73 HE1 PHE 8 HE2 PHE 8 -0.858 -6.161 6.360 74 HE2 PHE 8 HE1 PHE 8 -0.573 -4.260 2.550 75 HZ PHE 8 HZ PHE 8 -1.831 -4.710 4.620 76 H VAL 9 H VAL 9 4.907 -7.909 6.152 77 HA VAL 9 HA VAL 9 3.330 -7.178 8.411 78 HB VAL 9 HB VAL 9 4.389 -8.939 9.665 79 HG11 VAL 9 HG11 VAL 9 2.736 -9.637 8.027 80 HG12 VAL 9 HG12 VAL 9 3.972 -10.880 8.220 81 HG13 VAL 9 HG13 VAL 9 3.995 -9.824 6.805 82 HG21 VAL 9 HG21 VAL 9 6.467 -9.258 7.484 83 HG22 VAL 9 HG22 VAL 9 6.307 -10.261 8.926 84 HG23 VAL 9 HG23 VAL 9 6.761 -8.566 9.079 85 H SER 10 H SER 10 6.706 -6.637 7.570 86 HA SER 10 HA SER 10 7.606 -5.488 9.981 87 HB2 SER 10 HB2 SER 10 8.554 -4.926 7.139 88 HB3 SER 10 HB3 SER 10 9.474 -4.635 8.622 89 HG SER 10 HG SER 10 9.172 -6.920 7.196 90 H ALA 11 H ALA 11 6.265 -4.016 7.012 91 HA ALA 11 HA ALA 11 6.266 -1.314 7.902 92 HB1 ALA 11 HB1 ALA 11 4.520 -2.621 5.785 93 HB2 ALA 11 HB2 ALA 11 6.125 -1.940 5.520 94 HB3 ALA 11 HB3 ALA 11 4.789 -0.884 5.982 95 H LEU 12 H LEU 12 3.994 -3.939 8.246 96 HA LEU 12 HA LEU 12 1.657 -2.581 9.056 97 HB2 LEU 12 HB2 LEU 12 1.461 -4.830 8.295 98 HB3 LEU 12 HB3 LEU 12 2.702 -5.386 9.396 99 HG LEU 12 HG LEU 12 1.103 -5.015 11.313 100 HD11 LEU 12 HD11 LEU 12 -0.384 -3.367 10.316 101 HD12 LEU 12 HD12 LEU 12 -1.281 -4.783 10.862 102 HD13 LEU 12 HD13 LEU 12 -0.950 -4.561 9.143 103 HD21 LEU 12 HD21 LEU 12 0.179 -6.940 9.173 104 HD22 LEU 12 HD22 LEU 12 -0.177 -7.041 10.900 105 HD23 LEU 12 HD23 LEU 12 1.481 -7.229 10.334 106 H ILE 13 H ILE 13 4.282 -4.059 10.860 107 HA ILE 13 HA ILE 13 3.463 -3.482 13.482 108 HB ILE 13 HB ILE 13 6.222 -3.881 12.247 109 HG12 ILE 13 HG12 ILE 13 4.604 -5.839 13.937 110 HG13 ILE 13 HG13 ILE 13 4.455 -5.771 12.191 111 HG21 ILE 13 HG21 ILE 13 7.093 -4.334 14.524 112 HG22 ILE 13 HG22 ILE 13 5.549 -3.826 15.211 113 HG23 ILE 13 HG23 ILE 13 6.556 -2.661 14.347 114 HD11 ILE 13 HD11 ILE 13 6.800 -6.365 11.980 115 HD12 ILE 13 HD12 ILE 13 5.858 -7.560 12.872 116 HD13 ILE 13 HD13 ILE 13 6.929 -6.458 13.742 117 H ARG 14 H ARG 14 5.306 -1.589 11.109 118 HA ARG 14 HA ARG 14 5.796 0.641 12.871 119 HB2 ARG 14 HB2 ARG 14 6.213 0.152 9.919 120 HB3 ARG 14 HB3 ARG 14 6.265 1.806 10.509 121 HG2 ARG 14 HG2 ARG 14 8.522 0.881 10.381 122 HG3 ARG 14 HG3 ARG 14 8.089 1.228 12.055 123 HD2 ARG 14 HD2 ARG 14 7.515 -1.233 12.304 124 HD3 ARG 14 HD3 ARG 14 8.211 -1.480 10.699 125 HE ARG 14 HE ARG 14 9.692 -0.542 13.089 126 HH11 ARG 14 HH11 ARG 14 9.724 -2.076 9.933 127 HH12 ARG 14 HH12 ARG 14 11.327 -2.714 10.118 128 HH21 ARG 14 HH21 ARG 14 11.796 -1.371 13.337 129 HH22 ARG 14 HH22 ARG 14 12.511 -2.302 12.059 130 H ARG 15 H ARG 15 3.148 -0.280 10.764 131 HA ARG 15 HA ARG 15 1.825 2.249 10.655 132 HB2 ARG 15 HB2 ARG 15 0.670 -0.558 10.369 133 HB3 ARG 15 HB3 ARG 15 -0.241 0.920 10.076 134 HG2 ARG 15 HG2 ARG 15 1.400 1.465 8.235 135 HG3 ARG 15 HG3 ARG 15 2.112 -0.128 8.477 136 HD2 ARG 15 HD2 ARG 15 0.560 -0.275 6.627 137 HD3 ARG 15 HD3 ARG 15 -0.142 -1.152 7.993 138 HE ARG 15 HE ARG 15 -1.085 1.487 8.077 139 HH11 ARG 15 HH11 ARG 15 -1.469 -1.335 6.010 140 HH12 ARG 15 HH12 ARG 15 -3.022 -0.838 5.425 141 HH21 ARG 15 HH21 ARG 15 -3.119 2.104 7.335 142 HH22 ARG 15 HH22 ARG 15 -3.962 1.113 6.187 143 H VAL 16 H VAL 16 1.619 -0.551 12.884 144 HA VAL 16 HA VAL 16 -0.611 0.513 14.344 145 HB VAL 16 HB VAL 16 -0.417 -1.291 15.915 146 HG11 VAL 16 HG11 VAL 16 -0.477 -3.281 14.472 147 HG12 VAL 16 HG12 VAL 16 0.288 -2.373 13.165 148 HG13 VAL 16 HG13 VAL 16 -1.320 -1.924 13.724 149 HG21 VAL 16 HG21 VAL 16 2.294 -1.999 14.758 150 HG22 VAL 16 HG22 VAL 16 1.445 -2.839 16.061 151 HG23 VAL 16 HG23 VAL 16 2.028 -1.194 16.305 152 H PHE 17 H PHE 17 2.931 0.528 14.896 153 HA PHE 17 HA PHE 17 2.805 1.846 17.434 154 HB2 PHE 17 HB2 PHE 17 5.066 1.339 15.479 155 HB3 PHE 17 HB3 PHE 17 5.319 2.370 16.882 156 HD1 PHE 17 HD2 PHE 17 5.052 1.399 19.201 157 HD2 PHE 17 HD1 PHE 17 5.020 -1.084 15.733 158 HE1 PHE 17 HE2 PHE 17 5.476 -0.578 20.596 159 HE2 PHE 17 HE1 PHE 17 5.432 -3.055 17.133 160 HZ PHE 17 HZ PHE 17 5.666 -2.807 19.567 161 H ALA 18 H ALA 18 2.874 2.999 14.109 162 HA ALA 18 HA ALA 18 3.109 5.787 14.606 163 HB1 ALA 18 HB1 ALA 18 2.085 6.078 12.384 164 HB2 ALA 18 HB2 ALA 18 1.597 4.379 12.380 165 HB3 ALA 18 HB3 ALA 18 3.308 4.805 12.355 166 H ALA 19 H ALA 19 0.467 3.541 15.003 167 HA ALA 19 HA ALA 19 -1.490 5.677 15.612 168 HB1 ALA 19 HB1 ALA 19 -3.171 3.894 15.464 169 HB2 ALA 19 HB2 ALA 19 -1.901 2.685 15.243 170 HB3 ALA 19 HB3 ALA 19 -2.170 3.921 14.012 171 H GLY 20 H GLY 20 0.834 4.097 17.301 172 HA2 GLY 20 HA2 GLY 20 1.191 4.233 19.605 173 HA3 GLY 20 HA3 GLY 20 -0.526 4.474 19.873 174 H GLY 21 H GLY 21 -0.671 1.944 17.942 175 HA2 GLY 21 HA2 GLY 21 -1.069 -0.007 20.000 176 HA3 GLY 21 HA3 GLY 21 -1.203 -0.259 18.269 177 H PHE 22 H PHE 22 -0.192 -2.261 19.669 178 HA PHE 22 HA PHE 22 2.769 -2.240 19.473 179 HB2 PHE 22 HB2 PHE 22 1.954 -2.752 21.740 180 HB3 PHE 22 HB3 PHE 22 0.865 -3.984 21.117 181 HD1 PHE 22 HD1 PHE 22 4.484 -3.149 21.573 182 HD2 PHE 22 HD2 PHE 22 1.625 -6.252 20.863 183 HE1 PHE 22 HE1 PHE 22 6.235 -4.846 21.896 184 HE2 PHE 22 HE2 PHE 22 3.383 -7.942 21.190 185 HZ PHE 22 HZ PHE 22 5.691 -7.242 21.705 186 H ALA 23 H ALA 23 3.759 -4.186 18.550 187 HA ALA 23 HA ALA 23 2.151 -6.245 17.343 188 HB1 ALA 23 HB1 ALA 23 3.709 -4.391 15.523 189 HB2 ALA 23 HB2 ALA 23 1.957 -4.580 15.578 190 HB3 ALA 23 HB3 ALA 23 2.966 -5.916 15.028 191 H ALA 24 H ALA 24 3.378 -7.994 16.492 192 HA ALA 24 HA ALA 24 6.235 -8.098 16.497 193 HB1 ALA 24 HB1 ALA 24 5.887 -8.139 18.939 194 HB2 ALA 24 HB2 ALA 24 6.533 -9.681 18.368 195 HB3 ALA 24 HB3 ALA 24 4.819 -9.537 18.777 196 H VAL 25 H VAL 25 6.825 -9.700 15.129 197 HA VAL 25 HA VAL 25 4.867 -11.436 13.920 198 HB VAL 25 HB VAL 25 7.900 -11.354 13.506 199 HG11 VAL 25 HG11 VAL 25 6.943 -13.510 12.762 200 HG12 VAL 25 HG12 VAL 25 7.490 -12.551 11.386 201 HG13 VAL 25 HG13 VAL 25 5.768 -12.652 11.760 202 HG21 VAL 25 HG21 VAL 25 6.850 -9.202 12.925 203 HG22 VAL 25 HG22 VAL 25 5.701 -10.028 11.870 204 HG23 VAL 25 HG23 VAL 25 7.422 -10.030 11.475 205 H GLU 26 H GLU 26 4.174 -13.106 15.145 206 HA GLU 26 HA GLU 26 5.809 -14.683 16.915 207 HB2 GLU 26 HB2 GLU 26 3.035 -15.262 15.776 208 HB3 GLU 26 HB3 GLU 26 3.805 -16.127 17.110 209 HG2 GLU 26 HG2 GLU 26 3.838 -13.968 18.395 210 HG3 GLU 26 HG3 GLU 26 2.910 -13.229 17.089 211 H LYS 27 H LYS 27 4.044 -15.471 13.907 212 HA LYS 27 HA LYS 27 5.824 -17.778 13.420 213 HB2 LYS 27 HB2 LYS 27 3.413 -18.279 13.569 214 HB3 LYS 27 HB3 LYS 27 3.071 -17.114 12.293 215 HG2 LYS 27 HG2 LYS 27 4.158 -18.469 10.640 216 HG3 LYS 27 HG3 LYS 27 4.831 -19.534 11.874 217 HD2 LYS 27 HD2 LYS 27 2.551 -20.326 12.433 218 HD3 LYS 27 HD3 LYS 27 1.877 -19.273 11.179 219 HE2 LYS 27 HE2 LYS 27 2.136 -21.666 10.479 220 HE3 LYS 27 HE3 LYS 27 2.993 -20.526 9.441 221 HZ1 LYS 27 HZ1 LYS 27 4.209 -22.177 11.591 222 HZ2 LYS 27 HZ2 LYS 27 5.040 -21.072 10.622 223 HZ3 LYS 27 HZ3 LYS 27 4.348 -22.442 9.929 224 H LYS 28 H LYS 28 6.790 -18.066 11.400 225 HA LYS 28 HA LYS 28 6.794 -15.855 9.477 226 HB2 LYS 28 HB2 LYS 28 8.505 -15.208 11.081 227 HB3 LYS 28 HB3 LYS 28 9.230 -16.811 11.044 228 HG2 LYS 28 HG2 LYS 28 10.015 -16.476 8.778 229 HG3 LYS 28 HG3 LYS 28 9.134 -14.952 8.650 230 HD2 LYS 28 HD2 LYS 28 10.560 -13.989 10.431 231 HD3 LYS 28 HD3 LYS 28 11.450 -15.510 10.541 232 HE2 LYS 28 HE2 LYS 28 12.275 -15.217 8.253 233 HE3 LYS 28 HE3 LYS 28 11.306 -13.750 8.065 234 HZ1 LYS 28 HZ1 LYS 28 13.633 -13.296 8.593 235 HZ2 LYS 28 HZ2 LYS 28 13.464 -14.107 10.065 236 HZ3 LYS 28 HZ3 LYS 28 12.583 -12.696 9.769 237 H GLY 29 H GLY 29 6.700 -16.701 7.494 238 HA2 GLY 29 HA2 GLY 29 7.962 -19.338 6.921 239 HA3 GLY 29 HA3 GLY 29 6.380 -18.885 6.311 240 H ALA 30 H ALA 30 6.448 -18.396 4.211 241 HA ALA 30 HA ALA 30 8.896 -17.765 2.837 242 HB1 ALA 30 HB1 ALA 30 6.036 -17.897 1.795 243 HB2 ALA 30 HB2 ALA 30 7.214 -19.208 1.786 244 HB3 ALA 30 HB3 ALA 30 7.489 -17.776 0.796 245 H GLU 31 H GLU 31 9.642 -15.792 2.245 246 HA GLU 31 HA GLU 31 8.520 -13.499 3.552 247 HB2 GLU 31 HB2 GLU 31 10.952 -13.784 1.749 248 HB3 GLU 31 HB3 GLU 31 10.542 -12.326 2.656 249 HG2 GLU 31 HG2 GLU 31 10.771 -13.541 4.772 250 HG3 GLU 31 HG3 GLU 31 11.119 -15.038 3.905 251 H ALA 32 H ALA 32 9.036 -14.361 0.132 252 HA ALA 32 HA ALA 32 7.758 -11.924 -0.828 253 HB1 ALA 32 HB1 ALA 32 8.311 -12.776 -3.074 254 HB2 ALA 32 HB2 ALA 32 8.847 -14.305 -2.371 255 HB3 ALA 32 HB3 ALA 32 9.722 -12.816 -2.013 256 H ALA 33 H ALA 33 7.128 -15.451 -1.043 257 HA ALA 33 HA ALA 33 4.481 -14.919 -2.255 258 HB1 ALA 33 HB1 ALA 33 6.063 -16.289 -3.555 259 HB2 ALA 33 HB2 ALA 33 4.627 -17.216 -3.116 260 HB3 ALA 33 HB3 ALA 33 6.140 -17.463 -2.240 261 H GLY 34 H GLY 34 5.258 -15.059 0.786 262 HA2 GLY 34 HA2 GLY 34 3.787 -17.354 1.789 263 HA3 GLY 34 HA3 GLY 34 4.520 -16.070 2.734 264 H ALA 35 H ALA 35 1.907 -17.328 3.039 265 HA ALA 35 HA ALA 35 -0.062 -15.233 2.561 266 HB1 ALA 35 HB1 ALA 35 -0.773 -17.592 2.570 267 HB2 ALA 35 HB2 ALA 35 -1.566 -16.719 3.882 268 HB3 ALA 35 HB3 ALA 35 -0.198 -17.782 4.229 269 H ILE 36 H ILE 36 -1.091 -14.044 4.379 270 HA ILE 36 HA ILE 36 0.587 -13.810 6.818 271 HB ILE 36 HB ILE 36 -0.618 -11.408 5.378 272 HG12 ILE 36 HG12 ILE 36 1.276 -12.271 4.033 273 HG13 ILE 36 HG13 ILE 36 1.663 -10.712 4.750 274 HG21 ILE 36 HG21 ILE 36 0.710 -10.067 6.998 275 HG22 ILE 36 HG22 ILE 36 1.239 -11.558 7.782 276 HG23 ILE 36 HG23 ILE 36 -0.467 -11.109 7.802 277 HD11 ILE 36 HD11 ILE 36 2.651 -13.419 5.625 278 HD12 ILE 36 HD12 ILE 36 2.929 -11.929 6.524 279 HD13 ILE 36 HD13 ILE 36 3.573 -12.105 4.899 280 H PHE 37 H PHE 37 -0.655 -14.254 8.505 281 HA PHE 37 HA PHE 37 -3.469 -13.383 8.617 282 HB2 PHE 37 HB2 PHE 37 -2.121 -15.804 9.893 283 HB3 PHE 37 HB3 PHE 37 -3.717 -15.228 10.378 284 HD1 PHE 37 HD1 PHE 37 -1.780 -16.679 7.568 285 HD2 PHE 37 HD2 PHE 37 -5.663 -15.602 9.009 286 HE1 PHE 37 HE1 PHE 37 -2.810 -17.859 5.680 287 HE2 PHE 37 HE2 PHE 37 -6.684 -16.791 7.118 288 HZ PHE 37 HZ PHE 37 -5.262 -17.915 5.455 289 H VAL 38 H VAL 38 -3.703 -11.689 9.852 290 HA VAL 38 HA VAL 38 -1.788 -11.111 12.032 291 HB VAL 38 HB VAL 38 -3.634 -9.140 10.589 292 HG11 VAL 38 HG11 VAL 38 -1.278 -8.648 12.460 293 HG12 VAL 38 HG12 VAL 38 -2.982 -8.442 12.880 294 HG13 VAL 38 HG13 VAL 38 -2.242 -7.401 11.661 295 HG21 VAL 38 HG21 VAL 38 -1.649 -8.352 9.374 296 HG22 VAL 38 HG22 VAL 38 -1.947 -10.056 9.019 297 HG23 VAL 38 HG23 VAL 38 -0.661 -9.597 10.144 298 H ARG 39 H ARG 39 -2.554 -11.013 14.043 299 HA ARG 39 HA ARG 39 -5.473 -11.177 14.509 300 HB2 ARG 39 HB2 ARG 39 -4.835 -12.319 16.676 301 HB3 ARG 39 HB3 ARG 39 -4.451 -13.222 15.217 302 HG2 ARG 39 HG2 ARG 39 -2.074 -12.427 15.426 303 HG3 ARG 39 HG3 ARG 39 -2.508 -11.707 16.977 304 HD2 ARG 39 HD2 ARG 39 -2.705 -14.660 16.288 305 HD3 ARG 39 HD3 ARG 39 -1.411 -13.908 17.228 306 HE ARG 39 HE ARG 39 -4.217 -13.770 18.148 307 HH11 ARG 39 HH11 ARG 39 -0.901 -14.735 18.763 308 HH12 ARG 39 HH12 ARG 39 -1.234 -15.227 20.392 309 HH21 ARG 39 HH21 ARG 39 -4.615 -14.387 20.277 310 HH22 ARG 39 HH22 ARG 39 -3.333 -15.048 21.239 311 H GLN 40 H GLN 40 -6.163 -9.197 14.989 312 HA GLN 40 HA GLN 40 -4.655 -7.321 16.602 313 HB2 GLN 40 HB2 GLN 40 -6.113 -6.292 14.979 314 HB3 GLN 40 HB3 GLN 40 -7.487 -7.265 15.497 315 HG2 GLN 40 HG2 GLN 40 -7.505 -6.061 17.672 316 HG3 GLN 40 HG3 GLN 40 -6.155 -5.070 17.123 317 HE21 GLN 40 HE21 GLN 40 -7.526 -3.293 17.585 318 HE22 GLN 40 HE22 GLN 40 -8.750 -2.799 16.474 319 H ARG 41 H ARG 41 -4.883 -7.025 18.760 320 HA ARG 41 HA ARG 41 -6.912 -8.566 20.232 321 HB2 ARG 41 HB2 ARG 41 -4.469 -9.063 20.705 322 HB3 ARG 41 HB3 ARG 41 -4.312 -7.412 21.296 323 HG2 ARG 41 HG2 ARG 41 -5.825 -7.836 23.128 324 HG3 ARG 41 HG3 ARG 41 -6.305 -9.391 22.448 325 HD2 ARG 41 HD2 ARG 41 -3.999 -10.250 22.833 326 HD3 ARG 41 HD3 ARG 41 -3.567 -8.702 23.567 327 HE ARG 41 HE ARG 41 -5.002 -9.165 25.392 328 HH11 ARG 41 HH11 ARG 41 -4.799 -11.911 23.193 329 HH12 ARG 41 HH12 ARG 41 -5.384 -13.031 24.372 330 HH21 ARG 41 HH21 ARG 41 -5.797 -10.650 26.898 331 HH22 ARG 41 HH22 ARG 41 -5.959 -12.321 26.468 332 H LEU 42 H LEU 42 -8.580 -7.292 20.740 333 HA LEU 42 HA LEU 42 -8.496 -4.454 20.922 334 HB2 LEU 42 HB2 LEU 42 -10.591 -6.365 22.043 335 HB3 LEU 42 HB3 LEU 42 -10.758 -4.625 21.974 336 HG LEU 42 HG LEU 42 -12.075 -5.340 20.202 337 HD11 LEU 42 HD11 LEU 42 -11.034 -4.647 18.134 338 HD12 LEU 42 HD12 LEU 42 -9.427 -4.805 18.847 339 HD13 LEU 42 HD13 LEU 42 -10.550 -3.585 19.455 340 HD21 LEU 42 HD21 LEU 42 -11.561 -7.091 18.607 341 HD22 LEU 42 HD22 LEU 42 -11.458 -7.703 20.255 342 HD23 LEU 42 HD23 LEU 42 -9.981 -7.350 19.354 343 H ARG 43 H ARG 43 -8.522 -3.168 22.703 344 HA ARG 43 HA ARG 43 -6.750 -3.778 24.758 345 HB2 ARG 43 HB2 ARG 43 -7.614 -1.530 25.740 346 HB3 ARG 43 HB3 ARG 43 -6.854 -1.524 24.159 347 HG2 ARG 43 HG2 ARG 43 -8.727 -0.072 23.999 348 HG3 ARG 43 HG3 ARG 43 -9.162 -1.539 23.129 349 HD2 ARG 43 HD2 ARG 43 -11.064 -0.752 24.422 350 HD3 ARG 43 HD3 ARG 43 -10.495 -2.284 25.084 351 HE ARG 43 HE ARG 43 -9.209 -0.365 26.568 352 HH11 ARG 43 HH11 ARG 43 -12.585 -1.118 25.935 353 HH12 ARG 43 HH12 ARG 43 -13.130 -0.468 27.445 354 HH21 ARG 43 HH21 ARG 43 -9.950 0.486 28.530 355 HH22 ARG 43 HH22 ARG 43 -11.641 0.446 28.913 356 H ASP 44 H ASP 44 -10.114 -4.560 24.668 357 HA ASP 44 HA ASP 44 -10.523 -4.467 27.545 358 HB2 ASP 44 HB2 ASP 44 -12.779 -5.119 27.125 359 HB3 ASP 44 HB3 ASP 44 -12.364 -4.042 25.799 360 H GLY 45 H GLY 45 -9.851 -6.899 25.043 361 HA2 GLY 45 HA2 GLY 45 -8.464 -8.759 26.388 362 HA3 GLY 45 HA3 GLY 45 -10.103 -9.149 26.897 363 H ARG 46 H ARG 46 -11.137 -8.250 24.193 364 HA ARG 46 HA ARG 46 -11.136 -10.895 23.029 365 HB2 ARG 46 HB2 ARG 46 -12.381 -8.333 21.940 366 HB3 ARG 46 HB3 ARG 46 -12.747 -9.976 21.415 367 HG2 ARG 46 HG2 ARG 46 -13.400 -8.697 24.082 368 HG3 ARG 46 HG3 ARG 46 -14.531 -9.235 22.835 369 HD2 ARG 46 HD2 ARG 46 -13.878 -11.576 23.246 370 HD3 ARG 46 HD3 ARG 46 -12.713 -11.045 24.469 371 HE ARG 46 HE ARG 46 -15.518 -10.294 24.876 372 HH11 ARG 46 HH11 ARG 46 -12.896 -12.458 25.761 373 HH12 ARG 46 HH12 ARG 46 -13.670 -13.003 27.210 374 HH21 ARG 46 HH21 ARG 46 -16.537 -11.034 26.786 375 HH22 ARG 46 HH22 ARG 46 -15.750 -12.221 27.779 376 H GLU 47 H GLU 47 -11.088 -10.913 20.481 377 HA GLU 47 HA GLU 47 -8.818 -9.482 19.352 378 HB2 GLU 47 HB2 GLU 47 -8.894 -12.523 19.589 379 HB3 GLU 47 HB3 GLU 47 -7.832 -11.649 18.481 380 HG2 GLU 47 HG2 GLU 47 -6.864 -10.460 20.489 381 HG3 GLU 47 HG3 GLU 47 -7.787 -11.566 21.509 382 H ASN 48 H ASN 48 -8.516 -10.000 17.036 383 HA ASN 48 HA ASN 48 -10.839 -11.018 15.557 384 HB2 ASN 48 HB2 ASN 48 -9.486 -8.498 14.514 385 HB3 ASN 48 HB3 ASN 48 -11.079 -9.144 14.132 386 HD21 ASN 48 HD21 ASN 48 -9.214 -7.248 16.283 387 HD22 ASN 48 HD22 ASN 48 -10.518 -6.485 17.099 388 H LEU 49 H LEU 49 -10.211 -12.016 13.612 389 HA LEU 49 HA LEU 49 -7.298 -12.263 13.142 390 HB2 LEU 49 HB2 LEU 49 -8.588 -14.350 13.691 391 HB3 LEU 49 HB3 LEU 49 -9.491 -14.147 12.219 392 HG LEU 49 HG LEU 49 -7.545 -14.586 10.850 393 HD11 LEU 49 HD11 LEU 49 -5.306 -15.032 11.750 394 HD12 LEU 49 HD12 LEU 49 -5.860 -14.637 13.376 395 HD13 LEU 49 HD13 LEU 49 -5.821 -13.390 12.128 396 HD21 LEU 49 HD21 LEU 49 -6.966 -16.876 11.545 397 HD22 LEU 49 HD22 LEU 49 -8.691 -16.563 11.718 398 HD23 LEU 49 HD23 LEU 49 -7.650 -16.569 13.145 399 H TYR 50 H TYR 50 -6.489 -11.990 11.118 400 HA TYR 50 HA TYR 50 -8.242 -11.020 8.957 401 HB2 TYR 50 HB2 TYR 50 -5.577 -9.751 9.777 402 HB3 TYR 50 HB3 TYR 50 -6.635 -9.212 8.468 403 HD1 TYR 50 HD1 TYR 50 -9.011 -8.438 9.084 404 HD2 TYR 50 HD2 TYR 50 -5.938 -8.898 12.009 405 HE1 TYR 50 HE1 TYR 50 -10.303 -7.086 10.653 406 HE2 TYR 50 HE2 TYR 50 -7.246 -7.534 13.571 407 HH TYR 50 HH TYR 50 -9.030 -5.777 13.448 408 H GLY 51 H GLY 51 -7.418 -11.403 6.851 409 HA2 GLY 51 HA2 GLY 51 -5.061 -13.155 6.550 410 HA3 GLY 51 HA3 GLY 51 -6.634 -13.777 6.054 411 HA PRO 52 HA PRO 52 -4.614 -11.074 2.671 412 HB2 PRO 52 HB2 PRO 52 -3.584 -12.940 0.971 413 HB3 PRO 52 HB3 PRO 52 -2.694 -12.366 2.388 414 HG2 PRO 52 HG2 PRO 52 -4.263 -14.912 2.039 415 HG3 PRO 52 HG3 PRO 52 -2.688 -14.672 2.824 416 HD2 PRO 52 HD2 PRO 52 -5.086 -14.872 4.198 417 HD3 PRO 52 HD3 PRO 52 -3.657 -14.025 4.826 418 H ALA 53 H ALA 53 -6.442 -10.330 1.714 419 HA ALA 53 HA ALA 53 -8.571 -12.032 0.771 420 HB1 ALA 53 HB1 ALA 53 -9.056 -9.862 1.829 421 HB2 ALA 53 HB2 ALA 53 -9.720 -9.932 0.196 422 HB3 ALA 53 HB3 ALA 53 -8.239 -9.019 0.514 423 HA PRO 54 HA PRO 54 -7.322 -12.249 -3.587 424 HB2 PRO 54 HB2 PRO 54 -9.786 -12.528 -4.793 425 HB3 PRO 54 HB3 PRO 54 -8.979 -13.844 -3.930 426 HG2 PRO 54 HG2 PRO 54 -11.149 -11.994 -2.961 427 HG3 PRO 54 HG3 PRO 54 -11.005 -13.751 -2.749 428 HD2 PRO 54 HD2 PRO 54 -10.332 -12.002 -0.782 429 HD3 PRO 54 HD3 PRO 54 -9.476 -13.542 -0.995 430 H GLN 55 H GLN 55 -6.482 -10.254 -3.982 431 HA GLN 55 HA GLN 55 -7.836 -7.788 -3.930 432 HB2 GLN 55 HB2 GLN 55 -5.810 -6.821 -4.893 433 HB3 GLN 55 HB3 GLN 55 -5.365 -8.026 -3.687 434 HG2 GLN 55 HG2 GLN 55 -4.960 -9.658 -5.550 435 HG3 GLN 55 HG3 GLN 55 -5.270 -8.358 -6.706 436 HE21 GLN 55 HE21 GLN 55 -3.769 -6.595 -6.792 437 HE22 GLN 55 HE22 GLN 55 -2.149 -6.778 -6.226 438 H SER 56 H SER 56 -8.507 -6.397 -5.647 439 HA SER 56 HA SER 56 -9.851 -7.743 -7.803 440 HB2 SER 56 HB2 SER 56 -9.579 -4.768 -7.204 441 HB3 SER 56 HB3 SER 56 -10.717 -5.493 -8.338 442 HG SER 56 HG SER 56 -10.840 -6.601 -5.835 443 H PHE 57 H PHE 57 -8.271 -8.622 -9.173 444 HA PHE 57 HA PHE 57 -6.341 -6.798 -10.439 445 HB2 PHE 57 HB2 PHE 57 -5.285 -8.879 -11.384 446 HB3 PHE 57 HB3 PHE 57 -5.245 -8.754 -9.635 447 HD1 PHE 57 HD1 PHE 57 -6.824 -10.549 -12.491 448 HD2 PHE 57 HD2 PHE 57 -6.282 -10.414 -8.252 449 HE1 PHE 57 HE1 PHE 57 -7.745 -12.821 -12.300 450 HE2 PHE 57 HE2 PHE 57 -7.219 -12.681 -8.065 451 HZ PHE 57 HZ PHE 57 -7.949 -13.888 -10.087 452 H ALA 58 H ALA 58 -6.426 -6.183 -12.469 453 HA ALA 58 HA ALA 58 -8.429 -7.349 -14.332 454 HB1 ALA 58 HB1 ALA 58 -8.534 -5.123 -15.403 455 HB2 ALA 58 HB2 ALA 58 -7.408 -4.482 -14.202 456 HB3 ALA 58 HB3 ALA 58 -9.007 -5.037 -13.705 457 H ASP 59 H ASP 59 -7.563 -8.277 -16.068 458 HA ASP 59 HA ASP 59 -6.187 -9.029 -17.684 459 HB2 ASP 59 HB2 ASP 59 -5.999 -6.559 -18.257 460 HB3 ASP 59 HB3 ASP 59 -4.541 -6.485 -17.277 461 H ASP 60 H ASP 60 -5.650 -9.333 -14.682 462 HA ASP 60 HA ASP 60 -4.218 -10.255 -13.189 463 HB2 ASP 60 HB2 ASP 60 -2.956 -11.389 -15.725 464 HB3 ASP 60 HB3 ASP 60 -2.428 -11.847 -14.105 465 H GLU 61 H GLU 61 -3.645 -7.576 -14.440 466 HA GLU 61 HA GLU 61 -0.854 -7.126 -14.399 467 HB2 GLU 61 HB2 GLU 61 -3.263 -5.299 -14.087 468 HB3 GLU 61 HB3 GLU 61 -1.620 -4.673 -13.976 469 HG2 GLU 61 HG2 GLU 61 -2.762 -6.143 -16.376 470 HG3 GLU 61 HG3 GLU 61 -2.632 -4.387 -16.229 471 H ASP 62 H ASP 62 -3.369 -6.562 -11.943 472 HA ASP 62 HA ASP 62 -1.796 -5.292 -10.021 473 HB2 ASP 62 HB2 ASP 62 -4.296 -6.967 -9.596 474 HB3 ASP 62 HB3 ASP 62 -3.619 -5.842 -8.417 475 H ILE 63 H ILE 63 -1.876 -8.657 -10.747 476 HA ILE 63 HA ILE 63 -1.156 -9.896 -8.355 477 HB ILE 63 HB ILE 63 -0.091 -10.698 -11.105 478 HG12 ILE 63 HG12 ILE 63 -2.514 -10.426 -11.330 479 HG13 ILE 63 HG13 ILE 63 -2.131 -12.144 -11.342 480 HG21 ILE 63 HG21 ILE 63 0.970 -11.938 -9.289 481 HG22 ILE 63 HG22 ILE 63 -0.106 -13.012 -10.186 482 HG23 ILE 63 HG23 ILE 63 -0.606 -12.373 -8.619 483 HD11 ILE 63 HD11 ILE 63 -3.251 -10.564 -9.046 484 HD12 ILE 63 HD12 ILE 63 -2.817 -12.275 -8.992 485 HD13 ILE 63 HD13 ILE 63 -4.101 -11.723 -10.064 486 H MET 64 H MET 64 0.856 -8.322 -10.828 487 HA MET 64 HA MET 64 3.195 -8.301 -9.024 488 HB2 MET 64 HB2 MET 64 4.597 -8.449 -11.206 489 HB3 MET 64 HB3 MET 64 3.871 -9.917 -10.574 490 HG2 MET 64 HG2 MET 64 3.660 -9.815 -12.993 491 HG3 MET 64 HG3 MET 64 2.070 -9.753 -12.227 492 HE1 MET 64 HE1 MET 64 0.679 -8.807 -14.101 493 HE2 MET 64 HE2 MET 64 2.066 -9.053 -15.173 494 HE3 MET 64 HE3 MET 64 1.199 -7.515 -15.188 495 H ARG 65 H ARG 65 0.974 -6.300 -10.369 496 HA ARG 65 HA ARG 65 2.873 -4.058 -10.757 497 HB2 ARG 65 HB2 ARG 65 -0.125 -4.098 -11.302 498 HB3 ARG 65 HB3 ARG 65 0.978 -2.779 -11.676 499 HG2 ARG 65 HG2 ARG 65 0.994 -5.526 -12.961 500 HG3 ARG 65 HG3 ARG 65 0.330 -4.057 -13.670 501 HD2 ARG 65 HD2 ARG 65 2.592 -3.070 -13.706 502 HD3 ARG 65 HD3 ARG 65 3.248 -4.561 -13.009 503 HE ARG 65 HE ARG 65 1.804 -5.263 -15.303 504 HH11 ARG 65 HH11 ARG 65 4.700 -3.420 -14.557 505 HH12 ARG 65 HH12 ARG 65 5.465 -3.795 -16.063 506 HH21 ARG 65 HH21 ARG 65 2.807 -5.753 -17.250 507 HH22 ARG 65 HH22 ARG 65 4.389 -5.133 -17.596 508 H ALA 66 H ALA 66 -0.066 -4.952 -8.967 509 HA ALA 66 HA ALA 66 0.203 -2.581 -7.214 510 HB1 ALA 66 HB1 ALA 66 -2.191 -2.862 -6.746 511 HB2 ALA 66 HB2 ALA 66 -2.239 -4.316 -7.748 512 HB3 ALA 66 HB3 ALA 66 -1.914 -2.745 -8.485 513 H GLU 67 H GLU 67 -0.765 -2.977 -4.971 514 HA GLU 67 HA GLU 67 0.676 -5.176 -3.683 515 HB2 GLU 67 HB2 GLU 67 0.186 -3.988 -1.600 516 HB3 GLU 67 HB3 GLU 67 0.800 -2.854 -2.798 517 HG2 GLU 67 HG2 GLU 67 -1.653 -2.272 -3.273 518 HG3 GLU 67 HG3 GLU 67 -2.039 -3.164 -1.802 519 H ARG 68 H ARG 68 -0.467 -6.283 -1.827 520 HA ARG 68 HA ARG 68 -3.125 -7.257 -2.614 521 HB2 ARG 68 HB2 ARG 68 -2.717 -9.044 -0.886 522 HB3 ARG 68 HB3 ARG 68 -1.544 -9.032 -2.198 523 HG2 ARG 68 HG2 ARG 68 0.091 -7.878 -0.736 524 HG3 ARG 68 HG3 ARG 68 -1.081 -7.897 0.585 525 HD2 ARG 68 HD2 ARG 68 0.648 -9.719 0.724 526 HD3 ARG 68 HD3 ARG 68 -1.017 -10.313 0.706 527 HE ARG 68 HE ARG 68 -0.113 -10.281 -1.936 528 HH11 ARG 68 HH11 ARG 68 0.772 -12.006 0.998 529 HH12 ARG 68 HH12 ARG 68 1.222 -13.445 0.148 530 HH21 ARG 68 HH21 ARG 68 0.465 -12.157 -3.021 531 HH22 ARG 68 HH22 ARG 68 1.047 -13.530 -2.135 532 H ARG 69 H ARG 69 -4.833 -7.361 -1.120 533 HA ARG 69 HA ARG 69 -4.743 -5.457 1.145 534 HB2 ARG 69 HB2 ARG 69 -5.974 -4.634 -0.903 535 HB3 ARG 69 HB3 ARG 69 -7.081 -5.995 -0.749 536 HG2 ARG 69 HG2 ARG 69 -7.959 -5.129 1.328 537 HG3 ARG 69 HG3 ARG 69 -6.699 -3.893 1.407 538 HD2 ARG 69 HD2 ARG 69 -7.604 -2.796 -0.589 539 HD3 ARG 69 HD3 ARG 69 -8.823 -4.061 -0.760 540 HE ARG 69 HE ARG 69 -9.677 -3.279 1.466 541 HH11 ARG 69 HH11 ARG 69 -8.012 -1.042 -0.679 542 HH12 ARG 69 HH12 ARG 69 -8.793 0.349 -0.009 543 HH21 ARG 69 HH21 ARG 69 -10.683 -1.459 2.312 544 HH22 ARG 69 HH22 ARG 69 -10.303 0.115 1.698 545 H PHE 70 H PHE 70 -6.160 -6.077 2.936 546 HA PHE 70 HA PHE 70 -6.301 -9.020 3.198 547 HB2 PHE 70 HB2 PHE 70 -5.832 -6.777 5.195 548 HB3 PHE 70 HB3 PHE 70 -6.358 -8.367 5.742 549 HD1 PHE 70 HD1 PHE 70 -3.893 -7.322 3.096 550 HD2 PHE 70 HD2 PHE 70 -4.551 -9.410 6.767 551 HE1 PHE 70 HE1 PHE 70 -1.578 -8.124 3.053 552 HE2 PHE 70 HE2 PHE 70 -2.235 -10.202 6.717 553 HZ PHE 70 HZ PHE 70 -0.750 -9.562 4.861 554 H GLU 71 H GLU 71 -7.917 -9.687 4.956 555 HA GLU 71 HA GLU 71 -10.496 -8.280 4.833 556 HB2 GLU 71 HB2 GLU 71 -11.675 -10.423 4.404 557 HB3 GLU 71 HB3 GLU 71 -10.625 -9.979 3.063 558 HG2 GLU 71 HG2 GLU 71 -8.945 -11.613 3.789 559 HG3 GLU 71 HG3 GLU 71 -9.923 -12.021 5.201 560 H THR 72 H THR 72 -12.002 -9.174 6.488 561 HA THR 72 HA THR 72 -10.543 -9.729 8.977 562 HB THR 72 HB THR 72 -13.382 -8.699 8.549 563 HG1 THR 72 HG1 THR 72 -11.537 -6.976 9.591 564 HG21 THR 72 HG21 THR 72 -13.093 -9.769 10.778 565 HG22 THR 72 HG22 THR 72 -13.270 -8.019 10.923 566 HG23 THR 72 HG23 THR 72 -11.675 -8.756 11.070 567 H ARG 73 H ARG 73 -10.435 -11.907 9.367 568 HA ARG 73 HA ARG 73 -12.318 -13.815 8.322 569 HB2 ARG 73 HB2 ARG 73 -9.955 -14.170 10.224 570 HB3 ARG 73 HB3 ARG 73 -10.846 -15.482 9.461 571 HG2 ARG 73 HG2 ARG 73 -9.147 -13.403 8.031 572 HG3 ARG 73 HG3 ARG 73 -8.712 -15.092 8.322 573 HD2 ARG 73 HD2 ARG 73 -10.982 -14.077 6.566 574 HD3 ARG 73 HD3 ARG 73 -9.476 -14.818 6.015 575 HE ARG 73 HE ARG 73 -10.808 -16.607 7.739 576 HH11 ARG 73 HH11 ARG 73 -11.158 -15.318 4.481 577 HH12 ARG 73 HH12 ARG 73 -12.101 -16.666 3.935 578 HH21 ARG 73 HH21 ARG 73 -12.063 -18.329 7.009 579 HH22 ARG 73 HH22 ARG 73 -12.621 -18.362 5.368 580 H LEU 74 H LEU 74 -11.286 -12.813 11.577 581 HA LEU 74 HA LEU 74 -13.887 -13.671 12.743 582 HB2 LEU 74 HB2 LEU 74 -11.125 -13.890 14.034 583 HB3 LEU 74 HB3 LEU 74 -12.647 -14.341 14.791 584 HG LEU 74 HG LEU 74 -11.535 -15.730 12.311 585 HD11 LEU 74 HD11 LEU 74 -10.818 -17.558 13.774 586 HD12 LEU 74 HD12 LEU 74 -11.286 -16.625 15.200 587 HD13 LEU 74 HD13 LEU 74 -9.976 -16.059 14.159 588 HD21 LEU 74 HD21 LEU 74 -13.969 -15.971 12.589 589 HD22 LEU 74 HD22 LEU 74 -13.735 -16.586 14.229 590 HD23 LEU 74 HD23 LEU 74 -13.143 -17.509 12.844 591 H ALA 75 H ALA 75 -14.420 -12.421 14.745 592 HA ALA 75 HA ALA 75 -12.941 -10.023 15.352 593 HB1 ALA 75 HB1 ALA 75 -14.712 -8.413 14.847 594 HB2 ALA 75 HB2 ALA 75 -15.732 -9.696 14.181 595 HB3 ALA 75 HB3 ALA 75 -14.219 -9.258 13.380 596 H GLY 76 H GLY 76 -13.260 -9.367 17.424 597 HA2 GLY 76 HA2 GLY 76 -14.050 -9.226 19.570 598 HA3 GLY 76 HA3 GLY 76 -15.649 -9.572 18.933 599 H VAL 77 H VAL 77 -13.078 -11.836 18.453 600 HA VAL 77 HA VAL 77 -14.438 -13.848 20.117 601 HB VAL 77 HB VAL 77 -13.052 -15.499 18.851 602 HG11 VAL 77 HG11 VAL 77 -14.170 -15.264 16.653 603 HG12 VAL 77 HG12 VAL 77 -14.607 -13.602 17.055 604 HG13 VAL 77 HG13 VAL 77 -15.282 -14.940 17.987 605 HG21 VAL 77 HG21 VAL 77 -12.021 -13.097 17.284 606 HG22 VAL 77 HG22 VAL 77 -11.715 -14.790 16.881 607 HG23 VAL 77 HG23 VAL 77 -11.069 -14.108 18.376 608 H GLU 78 H GLU 78 -12.441 -15.596 20.781 609 HA GLU 78 HA GLU 78 -10.466 -14.023 22.343 610 HB2 GLU 78 HB2 GLU 78 -10.172 -16.046 23.725 611 HB3 GLU 78 HB3 GLU 78 -11.857 -15.539 23.687 612 HG2 GLU 78 HG2 GLU 78 -12.259 -17.300 21.927 613 HG3 GLU 78 HG3 GLU 78 -10.611 -17.867 22.198 614 H GLY 79 H GLY 79 -8.286 -15.069 22.556 615 HA2 GLY 79 HA2 GLY 79 -7.000 -15.314 20.069 616 HA3 GLY 79 HA3 GLY 79 -6.286 -15.687 21.631 617 H GLU 80 H GLU 80 -8.561 -17.742 21.964 618 HA GLU 80 HA GLU 80 -7.164 -20.013 20.902 619 HB2 GLU 80 HB2 GLU 80 -8.359 -20.027 23.109 620 HB3 GLU 80 HB3 GLU 80 -9.894 -19.899 22.261 621 HG2 GLU 80 HG2 GLU 80 -9.499 -22.196 22.954 622 HG3 GLU 80 HG3 GLU 80 -9.495 -22.084 21.195 623 H GLU 81 H GLU 81 -10.098 -18.209 20.025 624 HA GLU 81 HA GLU 81 -10.983 -19.960 17.933 625 HB2 GLU 81 HB2 GLU 81 -11.493 -16.972 18.171 626 HB3 GLU 81 HB3 GLU 81 -12.432 -18.131 17.230 627 HG2 GLU 81 HG2 GLU 81 -12.235 -17.966 20.247 628 HG3 GLU 81 HG3 GLU 81 -13.618 -17.514 19.257 629 H ILE 82 H ILE 82 -8.905 -17.134 18.103 630 HA ILE 82 HA ILE 82 -8.250 -16.745 15.407 631 HB ILE 82 HB ILE 82 -6.416 -16.410 17.834 632 HG12 ILE 82 HG12 ILE 82 -8.513 -15.136 18.161 633 HG13 ILE 82 HG13 ILE 82 -7.157 -14.044 17.921 634 HG21 ILE 82 HG21 ILE 82 -5.183 -16.360 15.710 635 HG22 ILE 82 HG22 ILE 82 -5.176 -14.779 16.487 636 HG23 ILE 82 HG23 ILE 82 -6.239 -15.079 15.111 637 HD11 ILE 82 HD11 ILE 82 -9.110 -13.250 16.782 638 HD12 ILE 82 HD12 ILE 82 -9.259 -14.762 15.889 639 HD13 ILE 82 HD13 ILE 82 -7.878 -13.697 15.604 640 H ALA 83 H ALA 83 -6.576 -18.610 17.909 641 HA ALA 83 HA ALA 83 -4.589 -19.790 16.279 642 HB1 ALA 83 HB1 ALA 83 -4.108 -21.178 18.251 643 HB2 ALA 83 HB2 ALA 83 -5.622 -20.654 18.998 644 HB3 ALA 83 HB3 ALA 83 -4.333 -19.486 18.698 645 H ALA 84 H ALA 84 -7.877 -20.657 16.968 646 HA ALA 84 HA ALA 84 -7.847 -23.416 16.354 647 HB1 ALA 84 HB1 ALA 84 -10.273 -23.213 16.105 648 HB2 ALA 84 HB2 ALA 84 -10.142 -21.452 16.054 649 HB3 ALA 84 HB3 ALA 84 -9.719 -22.328 17.526 650 H LEU 85 H LEU 85 -8.233 -20.526 14.264 651 HA LEU 85 HA LEU 85 -8.431 -22.166 11.875 652 HB2 LEU 85 HB2 LEU 85 -9.502 -19.911 11.935 653 HB3 LEU 85 HB3 LEU 85 -7.908 -19.184 12.052 654 HG LEU 85 HG LEU 85 -7.621 -20.826 9.818 655 HD11 LEU 85 HD11 LEU 85 -10.405 -19.725 9.628 656 HD12 LEU 85 HD12 LEU 85 -9.927 -21.423 9.737 657 HD13 LEU 85 HD13 LEU 85 -9.469 -20.470 8.328 658 HD21 LEU 85 HD21 LEU 85 -7.656 -18.805 8.459 659 HD22 LEU 85 HD22 LEU 85 -6.720 -18.633 9.942 660 HD23 LEU 85 HD23 LEU 85 -8.330 -17.896 9.822 661 H LEU 86 H LEU 86 -5.951 -20.170 13.475 662 HA LEU 86 HA LEU 86 -3.950 -20.096 11.572 663 HB2 LEU 86 HB2 LEU 86 -3.616 -20.333 14.589 664 HB3 LEU 86 HB3 LEU 86 -2.305 -19.937 13.490 665 HG LEU 86 HG LEU 86 -4.758 -18.230 14.071 666 HD11 LEU 86 HD11 LEU 86 -1.830 -17.738 14.675 667 HD12 LEU 86 HD12 LEU 86 -3.086 -18.164 15.842 668 HD13 LEU 86 HD13 LEU 86 -3.164 -16.623 14.993 669 HD21 LEU 86 HD21 LEU 86 -2.529 -17.672 12.087 670 HD22 LEU 86 HD22 LEU 86 -3.797 -16.540 12.563 671 HD23 LEU 86 HD23 LEU 86 -4.218 -18.014 11.698 672 H GLU 87 H GLU 87 -4.664 -22.701 13.855 673 HA GLU 87 HA GLU 87 -2.438 -24.370 13.271 674 HB2 GLU 87 HB2 GLU 87 -3.697 -26.149 14.434 675 HB3 GLU 87 HB3 GLU 87 -3.701 -24.641 15.343 676 HG2 GLU 87 HG2 GLU 87 -5.986 -24.172 14.650 677 HG3 GLU 87 HG3 GLU 87 -5.997 -25.594 13.603 678 H ARG 88 H ARG 88 -5.601 -23.989 11.772 679 HA ARG 88 HA ARG 88 -5.591 -26.447 10.254 680 HB2 ARG 88 HB2 ARG 88 -7.230 -23.901 9.842 681 HB3 ARG 88 HB3 ARG 88 -7.558 -25.464 9.091 682 HG2 ARG 88 HG2 ARG 88 -8.096 -26.438 11.264 683 HG3 ARG 88 HG3 ARG 88 -7.636 -24.940 12.081 684 HD2 ARG 88 HD2 ARG 88 -10.077 -25.117 11.886 685 HD3 ARG 88 HD3 ARG 88 -9.472 -23.744 10.949 686 HE ARG 88 HE ARG 88 -9.902 -26.292 9.561 687 HH11 ARG 88 HH11 ARG 88 -11.064 -23.023 10.128 688 HH12 ARG 88 HH12 ARG 88 -12.106 -23.035 8.740 689 HH21 ARG 88 HH21 ARG 88 -11.246 -26.280 7.751 690 HH22 ARG 88 HH22 ARG 88 -12.213 -24.884 7.398 691 H GLU 89 H GLU 89 -5.144 -23.006 9.440 692 HA GLU 89 HA GLU 89 -4.600 -23.256 6.708 693 HB2 GLU 89 HB2 GLU 89 -3.827 -21.098 8.712 694 HB3 GLU 89 HB3 GLU 89 -3.543 -20.937 6.980 695 HG2 GLU 89 HG2 GLU 89 -6.256 -21.299 8.287 696 HG3 GLU 89 HG3 GLU 89 -5.571 -19.760 7.772 697 H ARG 90 H ARG 90 -2.385 -23.153 9.497 698 HA ARG 90 HA ARG 90 0.023 -23.321 7.939 699 HB2 ARG 90 HB2 ARG 90 1.236 -23.570 9.975 700 HB3 ARG 90 HB3 ARG 90 -0.088 -22.461 10.315 701 HG2 ARG 90 HG2 ARG 90 -1.341 -24.290 11.406 702 HG3 ARG 90 HG3 ARG 90 -0.021 -25.406 11.052 703 HD2 ARG 90 HD2 ARG 90 1.491 -23.976 12.435 704 HD3 ARG 90 HD3 ARG 90 0.098 -22.978 12.865 705 HE ARG 90 HE ARG 90 -0.851 -25.232 13.717 706 HH11 ARG 90 HH11 ARG 90 2.538 -24.330 13.934 707 HH12 ARG 90 HH12 ARG 90 2.807 -25.251 15.378 708 HH21 ARG 90 HH21 ARG 90 -0.473 -26.418 15.613 709 HH22 ARG 90 HH22 ARG 90 1.112 -26.430 16.318 710 H ARG 91 H ARG 91 -2.131 -25.751 9.267 711 HA ARG 91 HA ARG 91 -0.481 -28.035 9.054 712 HB2 ARG 91 HB2 ARG 91 -2.346 -28.342 10.412 713 HB3 ARG 91 HB3 ARG 91 -3.432 -27.502 9.329 714 HG2 ARG 91 HG2 ARG 91 -2.377 -30.206 8.517 715 HG3 ARG 91 HG3 ARG 91 -3.642 -30.106 9.743 716 HD2 ARG 91 HD2 ARG 91 -4.952 -28.661 8.074 717 HD3 ARG 91 HD3 ARG 91 -3.764 -29.153 6.867 718 HE ARG 91 HE ARG 91 -4.473 -31.469 7.236 719 HH11 ARG 91 HH11 ARG 91 -6.676 -28.967 8.374 720 HH12 ARG 91 HH12 ARG 91 -8.076 -29.974 8.246 721 HH21 ARG 91 HH21 ARG 91 -6.329 -32.761 7.047 722 HH22 ARG 91 HH22 ARG 91 -7.883 -32.118 7.476 723 H PHE 92 H PHE 92 -2.580 -26.415 6.707 724 HA PHE 92 HA PHE 92 -1.998 -28.226 4.539 725 HB2 PHE 92 HB2 PHE 92 -3.226 -25.438 4.643 726 HB3 PHE 92 HB3 PHE 92 -2.988 -26.319 3.140 727 HD1 PHE 92 HD1 PHE 92 -4.217 -28.461 2.736 728 HD2 PHE 92 HD2 PHE 92 -5.058 -25.984 6.108 729 HE1 PHE 92 HE1 PHE 92 -6.363 -29.612 3.051 730 HE2 PHE 92 HE2 PHE 92 -7.200 -27.139 6.422 731 HZ PHE 92 HZ PHE 92 -7.857 -28.954 4.893 732 H ASP 93 H ASP 93 -1.064 -24.829 5.200 733 HA ASP 93 HA ASP 93 1.558 -25.253 3.936 734 HB2 ASP 93 HB2 ASP 93 -0.458 -23.112 3.136 735 HB3 ASP 93 HB3 ASP 93 1.250 -23.011 2.734 736 H SER 94 H SER 94 2.829 -24.890 5.585 737 HA SER 94 HA SER 94 2.211 -23.169 7.810 738 HB2 SER 94 HB2 SER 94 3.283 -25.459 7.971 739 HB3 SER 94 HB3 SER 94 4.756 -24.759 7.303 740 HG SER 94 HG SER 94 5.037 -24.603 9.446 741 H ASP 95 H ASP 95 3.484 -22.421 4.837 742 HA ASP 95 HA ASP 95 5.635 -20.648 5.582 743 HB2 ASP 95 HB2 ASP 95 5.699 -19.999 3.245 744 HB3 ASP 95 HB3 ASP 95 5.531 -21.746 3.353 745 H LEU 96 H LEU 96 2.484 -20.281 6.294 746 HA LEU 96 HA LEU 96 2.143 -17.489 5.660 747 HB2 LEU 96 HB2 LEU 96 0.076 -17.580 6.804 748 HB3 LEU 96 HB3 LEU 96 0.246 -19.124 6.003 749 HG LEU 96 HG LEU 96 1.215 -19.781 8.489 750 HD11 LEU 96 HD11 LEU 96 -0.917 -17.702 9.035 751 HD12 LEU 96 HD12 LEU 96 0.790 -17.588 9.470 752 HD13 LEU 96 HD13 LEU 96 -0.225 -18.818 10.217 753 HD21 LEU 96 HD21 LEU 96 -0.935 -20.805 8.959 754 HD22 LEU 96 HD22 LEU 96 -0.494 -21.022 7.265 755 HD23 LEU 96 HD23 LEU 96 -1.705 -19.815 7.712 756 H TRP 97 H TRP 97 1.886 -15.847 7.333 757 HA TRP 97 HA TRP 97 3.814 -16.089 9.572 758 HB2 TRP 97 HB2 TRP 97 3.002 -13.619 7.961 759 HB3 TRP 97 HB3 TRP 97 4.093 -13.609 9.340 760 HD1 TRP 97 HD1 TRP 97 4.127 -15.826 6.112 761 HE1 TRP 97 HE1 TRP 97 6.449 -15.651 5.071 762 HE3 TRP 97 HE3 TRP 97 6.196 -12.406 9.299 763 HZ2 TRP 97 HZ2 TRP 97 8.837 -14.235 5.485 764 HZ3 TRP 97 HZ3 TRP 97 8.508 -11.673 8.890 765 HH2 TRP 97 HH2 TRP 97 9.801 -12.569 7.018 766 H VAL 98 H VAL 98 3.099 -15.397 11.585 767 HA VAL 98 HA VAL 98 0.355 -14.289 11.802 768 HB VAL 98 HB VAL 98 1.754 -16.060 13.865 769 HG11 VAL 98 HG11 VAL 98 -0.389 -15.939 15.128 770 HG12 VAL 98 HG12 VAL 98 -1.017 -14.794 13.940 771 HG13 VAL 98 HG13 VAL 98 0.355 -14.347 14.956 772 HG21 VAL 98 HG21 VAL 98 -0.039 -17.706 13.400 773 HG22 VAL 98 HG22 VAL 98 0.940 -17.390 11.965 774 HG23 VAL 98 HG23 VAL 98 -0.662 -16.663 12.117 775 H VAL 99 H VAL 99 0.449 -12.224 12.345 776 HA VAL 99 HA VAL 99 2.614 -11.245 14.141 777 HB VAL 99 HB VAL 99 0.909 -9.524 12.282 778 HG11 VAL 99 HG11 VAL 99 1.796 -8.295 14.225 779 HG12 VAL 99 HG12 VAL 99 2.574 -7.749 12.738 780 HG13 VAL 99 HG13 VAL 99 3.432 -8.835 13.835 781 HG21 VAL 99 HG21 VAL 99 2.309 -11.033 10.932 782 HG22 VAL 99 HG22 VAL 99 3.742 -10.519 11.826 783 HG23 VAL 99 HG23 VAL 99 2.881 -9.367 10.802 784 H GLU 100 H GLU 100 1.905 -10.971 16.174 785 HA GLU 100 HA GLU 100 -0.914 -10.509 16.749 786 HB2 GLU 100 HB2 GLU 100 -0.215 -10.593 19.143 787 HB3 GLU 100 HB3 GLU 100 0.261 -12.036 18.256 788 HG2 GLU 100 HG2 GLU 100 2.570 -11.340 18.206 789 HG3 GLU 100 HG3 GLU 100 2.168 -9.744 18.835 790 H ILE 101 H ILE 101 -1.570 -8.492 16.289 791 HA ILE 101 HA ILE 101 0.023 -6.173 17.205 792 HB ILE 101 HB ILE 101 -1.353 -4.752 15.749 793 HG12 ILE 101 HG12 ILE 101 -2.749 -7.265 14.720 794 HG13 ILE 101 HG13 ILE 101 -3.477 -6.151 15.860 795 HG21 ILE 101 HG21 ILE 101 -0.258 -7.153 14.226 796 HG22 ILE 101 HG22 ILE 101 0.665 -5.755 14.768 797 HG23 ILE 101 HG23 ILE 101 -0.575 -5.557 13.536 798 HD11 ILE 101 HD11 ILE 101 -3.367 -4.367 14.213 799 HD12 ILE 101 HD12 ILE 101 -4.276 -5.760 13.629 800 HD13 ILE 101 HD13 ILE 101 -2.632 -5.483 13.056 801 H GLU 102 H GLU 102 -0.768 -4.923 18.851 802 HA GLU 102 HA GLU 102 -3.381 -5.676 20.041 803 HB2 GLU 102 HB2 GLU 102 -1.268 -6.278 21.360 804 HB3 GLU 102 HB3 GLU 102 -0.972 -4.557 21.553 805 HG2 GLU 102 HG2 GLU 102 -3.508 -5.936 22.503 806 HG3 GLU 102 HG3 GLU 102 -2.073 -5.769 23.505 807 H THR 103 H THR 103 -4.809 -4.131 19.627 808 HA THR 103 HA THR 103 -4.240 -1.329 19.995 809 HB THR 103 HB THR 103 -3.215 -1.490 17.818 810 HG1 THR 103 HG1 THR 103 -5.371 -0.465 16.653 811 HG21 THR 103 HG21 THR 103 -5.751 -2.825 16.805 812 HG22 THR 103 HG22 THR 103 -4.210 -3.644 17.089 813 HG23 THR 103 HG23 THR 103 -4.335 -2.406 15.837 814 H ASP 104 H ASP 104 -6.101 0.030 19.629 815 HA ASP 104 HA ASP 104 -8.549 -1.170 20.577 816 HB2 ASP 104 HB2 ASP 104 -7.763 1.041 21.402 817 HB3 ASP 104 HB3 ASP 104 -7.909 1.711 19.783 818 H GLU 105 H GLU 105 -7.481 0.420 17.590 819 HA GLU 105 HA GLU 105 -9.920 -0.505 16.160 820 HB2 GLU 105 HB2 GLU 105 -9.757 1.434 14.702 821 HB3 GLU 105 HB3 GLU 105 -9.849 1.980 16.371 822 HG2 GLU 105 HG2 GLU 105 -7.610 2.693 16.414 823 HG3 GLU 105 HG3 GLU 105 -7.154 1.679 15.045 824 H ILE 106 H ILE 106 -9.310 -0.393 13.601 825 HA ILE 106 HA ILE 106 -6.765 -1.892 13.292 826 HB ILE 106 HB ILE 106 -8.646 -3.476 13.530 827 HG12 ILE 106 HG12 ILE 106 -8.238 -4.795 11.404 828 HG13 ILE 106 HG13 ILE 106 -7.367 -3.409 10.761 829 HG21 ILE 106 HG21 ILE 106 -10.495 -2.132 12.654 830 HG22 ILE 106 HG22 ILE 106 -10.413 -3.687 11.824 831 HG23 ILE 106 HG23 ILE 106 -9.821 -2.229 11.024 832 HD11 ILE 106 HD11 ILE 106 -5.720 -3.618 12.541 833 HD12 ILE 106 HD12 ILE 106 -5.881 -5.118 11.634 834 HD13 ILE 106 HD13 ILE 106 -6.618 -4.974 13.229 835 H GLY 107 H GLY 107 -9.083 0.318 11.834 836 HA2 GLY 107 HA2 GLY 107 -8.556 -0.193 9.105 837 HA3 GLY 107 HA3 GLY 107 -9.343 1.229 9.760 838 H THR 108 H THR 108 -7.087 2.118 11.343 839 HA THR 108 HA THR 108 -5.758 3.679 9.340 840 HB THR 108 HB THR 108 -6.380 4.584 11.575 841 HG1 THR 108 HG1 THR 108 -4.199 5.570 11.930 842 HG21 THR 108 HG21 THR 108 -4.943 4.131 13.536 843 HG22 THR 108 HG22 THR 108 -4.066 2.907 12.621 844 HG23 THR 108 HG23 THR 108 -5.771 2.663 13.007 845 H LEU 109 H LEU 109 -4.981 0.703 10.931 846 HA LEU 109 HA LEU 109 -2.103 0.979 10.310 847 HB2 LEU 109 HB2 LEU 109 -1.754 -0.504 12.360 848 HB3 LEU 109 HB3 LEU 109 -2.215 1.161 12.628 849 HG LEU 109 HG LEU 109 -4.671 0.171 12.834 850 HD11 LEU 109 HD11 LEU 109 -4.804 -2.057 13.781 851 HD12 LEU 109 HD12 LEU 109 -3.070 -2.290 13.566 852 HD13 LEU 109 HD13 LEU 109 -4.123 -2.128 12.155 853 HD21 LEU 109 HD21 LEU 109 -3.493 1.318 14.641 854 HD22 LEU 109 HD22 LEU 109 -2.631 -0.167 15.051 855 HD23 LEU 109 HD23 LEU 109 -4.383 -0.074 15.255 856 H LEU 110 H LEU 110 -4.837 -0.755 9.498 857 HA LEU 110 HA LEU 110 -3.226 -2.554 7.894 858 HB2 LEU 110 HB2 LEU 110 -3.539 -3.889 9.975 859 HB3 LEU 110 HB3 LEU 110 -5.278 -3.681 9.856 860 HG LEU 110 HG LEU 110 -5.312 -5.020 7.771 861 HD11 LEU 110 HD11 LEU 110 -3.116 -4.499 6.869 862 HD12 LEU 110 HD12 LEU 110 -3.337 -6.242 6.990 863 HD13 LEU 110 HD13 LEU 110 -2.338 -5.398 8.176 864 HD21 LEU 110 HD21 LEU 110 -4.841 -7.219 8.746 865 HD22 LEU 110 HD22 LEU 110 -5.637 -6.175 9.922 866 HD23 LEU 110 HD23 LEU 110 -3.897 -6.466 10.038 867 H THR 111 H THR 111 -4.250 -3.014 5.981 868 HA THR 111 HA THR 111 -6.703 -1.490 5.454 869 HB THR 111 HB THR 111 -4.799 -2.706 3.409 870 HG1 THR 111 HG1 THR 111 -4.803 0.038 3.945 871 HG21 THR 111 HG21 THR 111 -5.837 -1.052 1.886 872 HG22 THR 111 HG22 THR 111 -6.892 -0.509 3.195 873 HG23 THR 111 HG23 THR 111 -7.060 -2.144 2.552 874 H LEU 112 H LEU 112 -8.617 -2.458 4.954 875 HA LEU 112 HA LEU 112 -8.706 -5.396 4.521 876 HB2 LEU 112 HB2 LEU 112 -10.487 -3.800 6.406 877 HB3 LEU 112 HB3 LEU 112 -10.615 -5.525 6.090 878 HG LEU 112 HG LEU 112 -8.092 -4.318 7.265 879 HD11 LEU 112 HD11 LEU 112 -8.858 -4.940 9.475 880 HD12 LEU 112 HD12 LEU 112 -10.437 -5.375 8.817 881 HD13 LEU 112 HD13 LEU 112 -9.876 -3.699 8.749 882 HD21 LEU 112 HD21 LEU 112 -7.644 -6.592 8.024 883 HD22 LEU 112 HD22 LEU 112 -7.855 -6.543 6.276 884 HD23 LEU 112 HD23 LEU 112 -9.158 -7.147 7.303 885 H VAL 113 H VAL 113 -10.440 -6.175 3.336 886 HA VAL 113 HA VAL 113 -11.940 -4.308 1.662 887 HB VAL 113 HB VAL 113 -12.683 -6.338 0.402 888 HG11 VAL 113 HG11 VAL 113 -10.502 -6.963 -0.578 889 HG12 VAL 113 HG12 VAL 113 -9.668 -6.230 0.796 890 HG13 VAL 113 HG13 VAL 113 -10.610 -5.222 -0.304 891 HG21 VAL 113 HG21 VAL 113 -11.717 -8.565 0.884 892 HG22 VAL 113 HG22 VAL 113 -12.679 -7.995 2.249 893 HG23 VAL 113 HG23 VAL 113 -10.915 -7.919 2.319 894 H ASP 114 H ASP 114 -12.360 -6.485 4.360 895 HA ASP 114 HA ASP 114 -15.202 -6.844 4.132 896 HB2 ASP 114 HB2 ASP 114 -13.791 -8.574 5.176 897 HB3 ASP 114 HB3 ASP 114 -13.287 -7.445 6.431 898 H GLN 115 H GLN 115 -13.199 -5.228 6.635 899 HA GLN 115 HA GLN 115 -15.329 -3.917 7.943 900 HB2 GLN 115 HB2 GLN 115 -12.345 -3.301 7.915 901 HB3 GLN 115 HB3 GLN 115 -13.487 -2.517 9.002 902 HG2 GLN 115 HG2 GLN 115 -12.902 -5.494 8.931 903 HG3 GLN 115 HG3 GLN 115 -12.218 -4.347 10.081 904 HE21 GLN 115 HE21 GLN 115 -15.079 -6.104 9.135 905 HE22 GLN 115 HE22 GLN 115 -15.984 -5.805 10.575 906 HA PRO 116 HA PRO 116 -16.152 -0.418 5.274 907 HB2 PRO 116 HB2 PRO 116 -17.109 1.433 7.058 908 HB3 PRO 116 HB3 PRO 116 -18.026 -0.002 6.581 909 HG2 PRO 116 HG2 PRO 116 -16.344 0.440 9.045 910 HG3 PRO 116 HG3 PRO 116 -17.968 -0.270 8.915 911 HD2 PRO 116 HD2 PRO 116 -15.742 -1.808 9.139 912 HD3 PRO 116 HD3 PRO 116 -17.151 -2.333 8.190 913 H GLN 117 H GLN 117 -15.394 1.676 4.667 914 HA GLN 117 HA GLN 117 -12.634 2.090 5.057 915 HB2 GLN 117 HB2 GLN 117 -14.729 3.926 3.822 916 HB3 GLN 117 HB3 GLN 117 -12.997 4.241 3.760 917 HG2 GLN 117 HG2 GLN 117 -14.436 1.882 2.514 918 HG3 GLN 117 HG3 GLN 117 -13.768 3.275 1.662 919 HE21 GLN 117 HE21 GLN 117 -11.487 3.493 1.527 920 HE22 GLN 117 HE22 GLN 117 -10.435 2.141 1.745 921 H ALA 118 H ALA 118 -15.435 3.770 6.420 922 HA ALA 118 HA ALA 118 -13.708 5.362 8.203 923 HB1 ALA 118 HB1 ALA 118 -15.527 6.586 7.077 924 HB2 ALA 118 HB2 ALA 118 -15.771 6.565 8.825 925 HB3 ALA 118 HB3 ALA 118 -16.720 5.496 7.791 Start of MODEL 18 1 H MET 1 H MET 1 0.113 0.208 -0.443 2 HA MET 1 HA MET 1 2.142 0.925 -1.444 3 HB2 MET 1 HB2 MET 1 2.444 -1.361 0.530 4 HB3 MET 1 HB3 MET 1 3.744 -0.242 0.130 5 HG2 MET 1 HG2 MET 1 1.105 0.545 1.382 6 HG3 MET 1 HG3 MET 1 2.623 0.319 2.253 7 HE1 MET 1 HE1 MET 1 4.791 1.586 0.281 8 HE2 MET 1 HE2 MET 1 4.753 1.960 2.005 9 HE3 MET 1 HE3 MET 1 4.826 3.265 0.822 10 H ARG 2 H ARG 2 1.274 -2.281 -2.282 11 HA ARG 2 HA ARG 2 1.968 -3.778 -3.782 12 HB2 ARG 2 HB2 ARG 2 3.409 -1.482 -5.145 13 HB3 ARG 2 HB3 ARG 2 2.929 -3.005 -5.893 14 HG2 ARG 2 HG2 ARG 2 0.550 -2.396 -5.581 15 HG3 ARG 2 HG3 ARG 2 1.040 -0.866 -4.848 16 HD2 ARG 2 HD2 ARG 2 2.285 -0.376 -7.020 17 HD3 ARG 2 HD3 ARG 2 1.459 -1.789 -7.702 18 HE ARG 2 HE ARG 2 -0.492 -0.123 -6.594 19 HH11 ARG 2 HH11 ARG 2 1.813 -0.005 -9.240 20 HH12 ARG 2 HH12 ARG 2 0.850 1.085 -10.183 21 HH21 ARG 2 HH21 ARG 2 -1.731 1.314 -7.831 22 HH22 ARG 2 HH22 ARG 2 -1.157 1.826 -9.384 23 H LEU 3 H LEU 3 3.242 -4.637 -1.977 24 HA LEU 3 HA LEU 3 6.154 -4.646 -2.460 25 HB2 LEU 3 HB2 LEU 3 6.249 -4.720 0.211 26 HB3 LEU 3 HB3 LEU 3 6.230 -3.204 -0.666 27 HG LEU 3 HG LEU 3 3.832 -2.899 -0.179 28 HD11 LEU 3 HD11 LEU 3 3.065 -5.200 -0.119 29 HD12 LEU 3 HD12 LEU 3 2.611 -4.353 1.355 30 HD13 LEU 3 HD13 LEU 3 3.962 -5.489 1.374 31 HD21 LEU 3 HD21 LEU 3 5.494 -2.012 1.420 32 HD22 LEU 3 HD22 LEU 3 5.388 -3.504 2.359 33 HD23 LEU 3 HD23 LEU 3 3.980 -2.449 2.214 34 H LYS 4 H LYS 4 7.121 -6.391 -0.824 35 HA LYS 4 HA LYS 4 5.956 -8.951 -1.350 36 HB2 LYS 4 HB2 LYS 4 8.161 -8.134 0.593 37 HB3 LYS 4 HB3 LYS 4 7.731 -9.800 0.209 38 HG2 LYS 4 HG2 LYS 4 8.375 -9.366 -2.172 39 HG3 LYS 4 HG3 LYS 4 8.911 -7.749 -1.693 40 HD2 LYS 4 HD2 LYS 4 10.530 -8.780 -0.110 41 HD3 LYS 4 HD3 LYS 4 10.007 -10.385 -0.634 42 HE2 LYS 4 HE2 LYS 4 10.803 -9.862 -2.930 43 HE3 LYS 4 HE3 LYS 4 11.359 -8.284 -2.365 44 HZ1 LYS 4 HZ1 LYS 4 12.328 -10.909 -1.360 45 HZ2 LYS 4 HZ2 LYS 4 12.892 -9.389 -0.879 46 HZ3 LYS 4 HZ3 LYS 4 13.154 -9.923 -2.464 47 H SER 5 H SER 5 5.168 -10.435 0.225 48 HA SER 5 HA SER 5 3.344 -9.596 2.175 49 HB2 SER 5 HB2 SER 5 4.807 -12.271 2.050 50 HB3 SER 5 HB3 SER 5 3.205 -11.963 2.727 51 HG SER 5 HG SER 5 2.438 -12.281 0.803 52 H GLU 6 H GLU 6 6.749 -10.472 2.361 53 HA GLU 6 HA GLU 6 7.216 -10.499 5.122 54 HB2 GLU 6 HB2 GLU 6 8.861 -11.335 3.540 55 HB3 GLU 6 HB3 GLU 6 9.002 -9.763 2.767 56 HG2 GLU 6 HG2 GLU 6 10.153 -8.842 4.679 57 HG3 GLU 6 HG3 GLU 6 9.821 -10.276 5.642 58 H MET 7 H MET 7 7.521 -7.866 2.769 59 HA MET 7 HA MET 7 8.295 -5.892 4.690 60 HB2 MET 7 HB2 MET 7 9.062 -5.740 2.347 61 HB3 MET 7 HB3 MET 7 7.398 -5.563 1.794 62 HG2 MET 7 HG2 MET 7 8.674 -3.412 1.901 63 HG3 MET 7 HG3 MET 7 7.192 -3.418 2.859 64 HE1 MET 7 HE1 MET 7 7.506 -1.687 4.704 65 HE2 MET 7 HE2 MET 7 8.800 -1.069 3.671 66 HE3 MET 7 HE3 MET 7 9.076 -1.286 5.398 67 H PHE 8 H PHE 8 5.218 -7.023 3.405 68 HA PHE 8 HA PHE 8 3.597 -4.809 4.128 69 HB2 PHE 8 HB2 PHE 8 2.812 -6.699 2.628 70 HB3 PHE 8 HB3 PHE 8 2.706 -7.735 4.046 71 HD1 PHE 8 HD2 PHE 8 0.927 -7.337 5.762 72 HD2 PHE 8 HD1 PHE 8 1.137 -4.949 2.216 73 HE1 PHE 8 HE2 PHE 8 -1.329 -6.475 6.199 74 HE2 PHE 8 HE1 PHE 8 -1.124 -4.091 2.669 75 HZ PHE 8 HZ PHE 8 -2.358 -4.851 4.657 76 H VAL 9 H VAL 9 4.564 -7.760 5.845 77 HA VAL 9 HA VAL 9 3.215 -7.378 8.279 78 HB VAL 9 HB VAL 9 5.824 -8.804 7.627 79 HG11 VAL 9 HG11 VAL 9 4.380 -8.837 10.293 80 HG12 VAL 9 HG12 VAL 9 5.994 -8.205 9.975 81 HG13 VAL 9 HG13 VAL 9 5.684 -9.934 9.831 82 HG21 VAL 9 HG21 VAL 9 3.043 -9.866 8.236 83 HG22 VAL 9 HG22 VAL 9 4.465 -10.848 7.869 84 HG23 VAL 9 HG23 VAL 9 3.795 -9.776 6.642 85 H SER 10 H SER 10 6.565 -6.505 7.387 86 HA SER 10 HA SER 10 7.370 -5.306 9.772 87 HB2 SER 10 HB2 SER 10 8.256 -4.602 6.936 88 HB3 SER 10 HB3 SER 10 9.159 -4.270 8.415 89 HG SER 10 HG SER 10 9.456 -6.347 6.986 90 H ALA 11 H ALA 11 5.919 -3.852 6.872 91 HA ALA 11 HA ALA 11 5.833 -1.168 7.708 92 HB1 ALA 11 HB1 ALA 11 4.043 -2.587 5.713 93 HB2 ALA 11 HB2 ALA 11 5.606 -1.854 5.356 94 HB3 ALA 11 HB3 ALA 11 4.257 -0.835 5.856 95 H LEU 12 H LEU 12 3.535 -3.831 8.070 96 HA LEU 12 HA LEU 12 1.268 -2.450 8.983 97 HB2 LEU 12 HB2 LEU 12 1.632 -4.953 8.241 98 HB3 LEU 12 HB3 LEU 12 1.935 -5.237 9.938 99 HG LEU 12 HG LEU 12 -0.665 -4.146 8.787 100 HD11 LEU 12 HD11 LEU 12 -1.616 -6.363 9.209 101 HD12 LEU 12 HD12 LEU 12 -0.036 -6.952 9.733 102 HD13 LEU 12 HD13 LEU 12 -0.280 -6.442 8.061 103 HD21 LEU 12 HD21 LEU 12 -1.675 -4.601 10.977 104 HD22 LEU 12 HD22 LEU 12 -0.361 -3.438 11.127 105 HD23 LEU 12 HD23 LEU 12 -0.106 -5.115 11.613 106 H ILE 13 H ILE 13 3.972 -3.889 10.669 107 HA ILE 13 HA ILE 13 3.211 -3.383 13.332 108 HB ILE 13 HB ILE 13 5.954 -3.771 12.043 109 HG12 ILE 13 HG12 ILE 13 4.265 -5.787 13.606 110 HG13 ILE 13 HG13 ILE 13 4.206 -5.636 11.857 111 HG21 ILE 13 HG21 ILE 13 5.294 -3.864 15.009 112 HG22 ILE 13 HG22 ILE 13 6.300 -2.662 14.197 113 HG23 ILE 13 HG23 ILE 13 6.830 -4.342 14.282 114 HD11 ILE 13 HD11 ILE 13 6.608 -6.435 13.485 115 HD12 ILE 13 HD12 ILE 13 6.556 -6.263 11.725 116 HD13 ILE 13 HD13 ILE 13 5.570 -7.492 12.522 117 H ARG 14 H ARG 14 5.049 -1.431 10.973 118 HA ARG 14 HA ARG 14 5.647 0.753 12.732 119 HB2 ARG 14 HB2 ARG 14 5.767 0.387 9.731 120 HB3 ARG 14 HB3 ARG 14 5.921 2.005 10.393 121 HG2 ARG 14 HG2 ARG 14 8.125 1.030 9.973 122 HG3 ARG 14 HG3 ARG 14 7.887 1.328 11.696 123 HD2 ARG 14 HD2 ARG 14 7.284 -1.097 11.963 124 HD3 ARG 14 HD3 ARG 14 7.706 -1.333 10.270 125 HE ARG 14 HE ARG 14 9.998 -0.491 10.965 126 HH11 ARG 14 HH11 ARG 14 7.913 -2.238 13.167 127 HH12 ARG 14 HH12 ARG 14 9.220 -2.953 14.050 128 HH21 ARG 14 HH21 ARG 14 11.730 -1.441 12.131 129 HH22 ARG 14 HH22 ARG 14 11.386 -2.489 13.470 130 H ARG 15 H ARG 15 2.872 -0.038 10.729 131 HA ARG 15 HA ARG 15 1.572 2.491 10.713 132 HB2 ARG 15 HB2 ARG 15 0.361 -0.301 10.503 133 HB3 ARG 15 HB3 ARG 15 -0.496 1.194 10.144 134 HG2 ARG 15 HG2 ARG 15 0.956 1.614 8.234 135 HG3 ARG 15 HG3 ARG 15 1.937 0.209 8.630 136 HD2 ARG 15 HD2 ARG 15 -0.116 -1.239 8.304 137 HD3 ARG 15 HD3 ARG 15 -0.965 0.200 7.727 138 HE ARG 15 HE ARG 15 1.267 0.091 6.166 139 HH11 ARG 15 HH11 ARG 15 -1.298 -2.206 6.855 140 HH12 ARG 15 HH12 ARG 15 -1.200 -2.965 5.304 141 HH21 ARG 15 HH21 ARG 15 1.409 -0.911 4.153 142 HH22 ARG 15 HH22 ARG 15 0.345 -2.221 3.757 143 H VAL 16 H VAL 16 1.324 -0.357 12.869 144 HA VAL 16 HA VAL 16 -0.810 0.723 14.435 145 HB VAL 16 HB VAL 16 -0.678 -1.179 15.875 146 HG11 VAL 16 HG11 VAL 16 0.046 -2.147 13.095 147 HG12 VAL 16 HG12 VAL 16 -1.554 -1.661 13.638 148 HG13 VAL 16 HG13 VAL 16 -0.787 -3.081 14.344 149 HG21 VAL 16 HG21 VAL 16 2.023 -1.900 14.706 150 HG22 VAL 16 HG22 VAL 16 1.132 -2.787 15.952 151 HG23 VAL 16 HG23 VAL 16 1.764 -1.178 16.295 152 H PHE 17 H PHE 17 2.728 0.544 14.896 153 HA PHE 17 HA PHE 17 2.757 1.679 17.514 154 HB2 PHE 17 HB2 PHE 17 4.896 1.155 15.437 155 HB3 PHE 17 HB3 PHE 17 5.282 2.149 16.836 156 HD1 PHE 17 HD2 PHE 17 5.018 1.150 19.160 157 HD2 PHE 17 HD1 PHE 17 4.857 -1.264 15.646 158 HE1 PHE 17 HE2 PHE 17 5.449 -0.857 20.510 159 HE2 PHE 17 HE1 PHE 17 5.280 -3.271 17.007 160 HZ PHE 17 HZ PHE 17 5.578 -3.065 19.440 161 H ALA 18 H ALA 18 2.779 3.068 14.278 162 HA ALA 18 HA ALA 18 3.204 5.794 15.002 163 HB1 ALA 18 HB1 ALA 18 1.664 4.645 12.649 164 HB2 ALA 18 HB2 ALA 18 3.390 5.003 12.680 165 HB3 ALA 18 HB3 ALA 18 2.220 6.318 12.798 166 H ALA 19 H ALA 19 0.365 3.706 14.930 167 HA ALA 19 HA ALA 19 -1.540 5.823 15.562 168 HB1 ALA 19 HB1 ALA 19 -3.219 4.023 15.471 169 HB2 ALA 19 HB2 ALA 19 -1.931 2.820 15.341 170 HB3 ALA 19 HB3 ALA 19 -2.172 3.996 14.049 171 H GLY 20 H GLY 20 0.635 4.013 17.404 172 HA2 GLY 20 HA2 GLY 20 0.962 4.429 19.719 173 HA3 GLY 20 HA3 GLY 20 -0.754 4.747 19.913 174 H GLY 21 H GLY 21 -0.687 2.060 18.091 175 HA2 GLY 21 HA2 GLY 21 -1.238 0.227 20.256 176 HA3 GLY 21 HA3 GLY 21 -1.353 -0.097 18.536 177 H PHE 22 H PHE 22 -0.430 -2.161 19.381 178 HA PHE 22 HA PHE 22 2.534 -2.177 19.487 179 HB2 PHE 22 HB2 PHE 22 1.609 -2.668 21.732 180 HB3 PHE 22 HB3 PHE 22 0.576 -3.923 21.062 181 HD1 PHE 22 HD1 PHE 22 4.174 -2.997 21.563 182 HD2 PHE 22 HD2 PHE 22 1.371 -6.170 20.959 183 HE1 PHE 22 HE1 PHE 22 5.946 -4.649 21.990 184 HE2 PHE 22 HE2 PHE 22 3.152 -7.818 21.382 185 HZ PHE 22 HZ PHE 22 5.440 -7.058 21.900 186 H ALA 23 H ALA 23 3.479 -4.153 18.612 187 HA ALA 23 HA ALA 23 1.848 -6.110 17.237 188 HB1 ALA 23 HB1 ALA 23 2.928 -5.762 15.015 189 HB2 ALA 23 HB2 ALA 23 3.637 -4.262 15.623 190 HB3 ALA 23 HB3 ALA 23 1.888 -4.424 15.494 191 H ALA 24 H ALA 24 3.102 -7.868 16.386 192 HA ALA 24 HA ALA 24 5.931 -8.094 16.826 193 HB1 ALA 24 HB1 ALA 24 5.147 -8.298 19.165 194 HB2 ALA 24 HB2 ALA 24 5.817 -9.827 18.591 195 HB3 ALA 24 HB3 ALA 24 4.068 -9.617 18.698 196 H VAL 25 H VAL 25 6.546 -9.337 15.150 197 HA VAL 25 HA VAL 25 4.674 -11.167 13.862 198 HB VAL 25 HB VAL 25 5.825 -9.795 12.292 199 HG11 VAL 25 HG11 VAL 25 8.492 -10.676 13.454 200 HG12 VAL 25 HG12 VAL 25 7.768 -9.071 13.579 201 HG13 VAL 25 HG13 VAL 25 8.282 -9.682 12.006 202 HG21 VAL 25 HG21 VAL 25 6.909 -11.452 10.808 203 HG22 VAL 25 HG22 VAL 25 5.468 -12.126 11.569 204 HG23 VAL 25 HG23 VAL 25 7.067 -12.576 12.163 205 H GLU 26 H GLU 26 4.471 -12.999 14.861 206 HA GLU 26 HA GLU 26 6.503 -14.358 16.349 207 HB2 GLU 26 HB2 GLU 26 3.721 -15.316 15.546 208 HB3 GLU 26 HB3 GLU 26 4.737 -16.004 16.816 209 HG2 GLU 26 HG2 GLU 26 3.456 -13.247 16.791 210 HG3 GLU 26 HG3 GLU 26 2.995 -14.620 17.797 211 H LYS 27 H LYS 27 4.584 -15.311 13.461 212 HA LYS 27 HA LYS 27 6.591 -17.377 12.826 213 HB2 LYS 27 HB2 LYS 27 4.110 -17.953 13.072 214 HB3 LYS 27 HB3 LYS 27 3.833 -17.065 11.578 215 HG2 LYS 27 HG2 LYS 27 5.269 -18.626 10.351 216 HG3 LYS 27 HG3 LYS 27 5.679 -19.463 11.851 217 HD2 LYS 27 HD2 LYS 27 3.207 -20.005 12.095 218 HD3 LYS 27 HD3 LYS 27 2.976 -19.377 10.461 219 HE2 LYS 27 HE2 LYS 27 4.703 -21.752 11.264 220 HE3 LYS 27 HE3 LYS 27 3.159 -21.814 10.415 221 HZ1 LYS 27 HZ1 LYS 27 4.209 -20.598 8.567 222 HZ2 LYS 27 HZ2 LYS 27 4.947 -22.089 8.867 223 HZ3 LYS 27 HZ3 LYS 27 5.692 -20.664 9.377 224 H LYS 28 H LYS 28 7.486 -17.550 10.796 225 HA LYS 28 HA LYS 28 7.271 -15.225 8.979 226 HB2 LYS 28 HB2 LYS 28 9.305 -14.987 10.347 227 HB3 LYS 28 HB3 LYS 28 9.834 -16.608 9.909 228 HG2 LYS 28 HG2 LYS 28 10.226 -15.954 7.631 229 HG3 LYS 28 HG3 LYS 28 9.418 -14.406 7.871 230 HD2 LYS 28 HD2 LYS 28 11.229 -13.742 9.463 231 HD3 LYS 28 HD3 LYS 28 12.054 -15.269 9.126 232 HE2 LYS 28 HE2 LYS 28 11.448 -13.089 7.089 233 HE3 LYS 28 HE3 LYS 28 13.018 -13.393 7.830 234 HZ1 LYS 28 HZ1 LYS 28 13.001 -15.600 6.811 235 HZ2 LYS 28 HZ2 LYS 28 12.924 -14.368 5.664 236 HZ3 LYS 28 HZ3 LYS 28 11.537 -15.249 6.047 237 H GLY 29 H GLY 29 6.590 -15.903 7.084 238 HA2 GLY 29 HA2 GLY 29 7.171 -18.642 6.102 239 HA3 GLY 29 HA3 GLY 29 5.753 -17.689 5.692 240 H ALA 30 H ALA 30 5.965 -17.501 3.484 241 HA ALA 30 HA ALA 30 8.512 -17.089 2.198 242 HB1 ALA 30 HB1 ALA 30 5.718 -17.058 1.001 243 HB2 ALA 30 HB2 ALA 30 6.784 -18.457 1.114 244 HB3 ALA 30 HB3 ALA 30 7.232 -17.093 0.090 245 H GLU 31 H GLU 31 9.218 -15.270 1.053 246 HA GLU 31 HA GLU 31 8.660 -12.784 2.310 247 HB2 GLU 31 HB2 GLU 31 10.304 -13.425 -0.170 248 HB3 GLU 31 HB3 GLU 31 10.227 -11.829 0.576 249 HG2 GLU 31 HG2 GLU 31 11.195 -12.750 2.649 250 HG3 GLU 31 HG3 GLU 31 11.271 -14.347 1.905 251 H ALA 32 H ALA 32 8.247 -13.720 -1.146 252 HA ALA 32 HA ALA 32 6.601 -11.332 -1.582 253 HB1 ALA 32 HB1 ALA 32 8.463 -11.770 -3.119 254 HB2 ALA 32 HB2 ALA 32 6.916 -11.783 -3.972 255 HB3 ALA 32 HB3 ALA 32 7.728 -13.304 -3.590 256 H ALA 33 H ALA 33 6.295 -14.850 -1.560 257 HA ALA 33 HA ALA 33 3.492 -14.695 -2.535 258 HB1 ALA 33 HB1 ALA 33 5.020 -15.998 -3.979 259 HB2 ALA 33 HB2 ALA 33 3.765 -17.021 -3.280 260 HB3 ALA 33 HB3 ALA 33 5.402 -17.059 -2.621 261 H GLY 34 H GLY 34 4.375 -14.248 0.265 262 HA2 GLY 34 HA2 GLY 34 3.576 -16.652 1.748 263 HA3 GLY 34 HA3 GLY 34 4.184 -15.148 2.423 264 H ALA 35 H ALA 35 1.677 -16.929 2.819 265 HA ALA 35 HA ALA 35 -0.493 -15.019 2.647 266 HB1 ALA 35 HB1 ALA 35 -1.715 -16.639 4.083 267 HB2 ALA 35 HB2 ALA 35 -0.230 -17.572 4.289 268 HB3 ALA 35 HB3 ALA 35 -0.973 -17.437 2.696 269 H ILE 36 H ILE 36 -1.486 -14.076 4.696 270 HA ILE 36 HA ILE 36 0.473 -13.507 6.826 271 HB ILE 36 HB ILE 36 -1.018 -11.246 5.419 272 HG12 ILE 36 HG12 ILE 36 0.788 -12.082 3.920 273 HG13 ILE 36 HG13 ILE 36 1.114 -10.448 4.490 274 HG21 ILE 36 HG21 ILE 36 0.393 -9.747 6.813 275 HG22 ILE 36 HG22 ILE 36 1.100 -11.161 7.600 276 HG23 ILE 36 HG23 ILE 36 -0.618 -10.813 7.792 277 HD11 ILE 36 HD11 ILE 36 3.133 -11.706 4.514 278 HD12 ILE 36 HD12 ILE 36 2.393 -13.000 5.446 279 HD13 ILE 36 HD13 ILE 36 2.654 -11.422 6.179 280 H PHE 37 H PHE 37 -0.684 -14.325 8.481 281 HA PHE 37 HA PHE 37 -3.510 -13.551 8.832 282 HB2 PHE 37 HB2 PHE 37 -1.931 -15.960 9.835 283 HB3 PHE 37 HB3 PHE 37 -3.520 -15.536 10.463 284 HD1 PHE 37 HD1 PHE 37 -1.728 -16.437 7.302 285 HD2 PHE 37 HD2 PHE 37 -5.482 -16.247 9.338 286 HE1 PHE 37 HE1 PHE 37 -2.793 -17.668 5.461 287 HE2 PHE 37 HE2 PHE 37 -6.536 -17.477 7.492 288 HZ PHE 37 HZ PHE 37 -5.198 -18.187 5.553 289 H VAL 38 H VAL 38 -3.710 -11.921 10.127 290 HA VAL 38 HA VAL 38 -1.784 -11.357 12.309 291 HB VAL 38 HB VAL 38 -3.593 -9.427 10.751 292 HG11 VAL 38 HG11 VAL 38 -2.366 -7.606 11.878 293 HG12 VAL 38 HG12 VAL 38 -1.446 -8.791 12.810 294 HG13 VAL 38 HG13 VAL 38 -3.187 -8.638 13.054 295 HG21 VAL 38 HG21 VAL 38 -1.532 -8.577 9.712 296 HG22 VAL 38 HG22 VAL 38 -1.755 -10.289 9.350 297 HG23 VAL 38 HG23 VAL 38 -0.581 -9.789 10.571 298 H ARG 39 H ARG 39 -2.677 -10.907 14.365 299 HA ARG 39 HA ARG 39 -5.623 -11.082 14.605 300 HB2 ARG 39 HB2 ARG 39 -5.433 -12.118 16.757 301 HB3 ARG 39 HB3 ARG 39 -4.356 -13.004 15.689 302 HG2 ARG 39 HG2 ARG 39 -2.427 -11.779 16.644 303 HG3 ARG 39 HG3 ARG 39 -3.520 -10.924 17.727 304 HD2 ARG 39 HD2 ARG 39 -2.591 -12.648 19.038 305 HD3 ARG 39 HD3 ARG 39 -4.203 -13.225 18.624 306 HE ARG 39 HE ARG 39 -3.197 -14.691 16.977 307 HH11 ARG 39 HH11 ARG 39 -0.993 -13.364 19.380 308 HH12 ARG 39 HH12 ARG 39 0.237 -14.546 19.084 309 HH21 ARG 39 HH21 ARG 39 -1.582 -16.254 16.632 310 HH22 ARG 39 HH22 ARG 39 -0.109 -16.194 17.541 311 H GLN 40 H GLN 40 -6.532 -9.177 15.147 312 HA GLN 40 HA GLN 40 -5.075 -7.088 16.558 313 HB2 GLN 40 HB2 GLN 40 -6.583 -5.974 15.212 314 HB3 GLN 40 HB3 GLN 40 -7.740 -7.296 15.224 315 HG2 GLN 40 HG2 GLN 40 -8.653 -6.601 17.334 316 HG3 GLN 40 HG3 GLN 40 -7.362 -5.424 17.578 317 HE21 GLN 40 HE21 GLN 40 -7.634 -3.417 16.801 318 HE22 GLN 40 HE22 GLN 40 -8.982 -2.878 15.860 319 H ARG 41 H ARG 41 -5.224 -6.656 18.686 320 HA ARG 41 HA ARG 41 -7.191 -8.102 20.359 321 HB2 ARG 41 HB2 ARG 41 -4.880 -8.790 20.857 322 HB3 ARG 41 HB3 ARG 41 -4.399 -7.106 21.038 323 HG2 ARG 41 HG2 ARG 41 -5.653 -6.859 23.065 324 HG3 ARG 41 HG3 ARG 41 -6.490 -8.394 22.821 325 HD2 ARG 41 HD2 ARG 41 -3.492 -8.175 23.271 326 HD3 ARG 41 HD3 ARG 41 -4.664 -8.421 24.574 327 HE ARG 41 HE ARG 41 -5.009 -10.355 22.508 328 HH11 ARG 41 HH11 ARG 41 -2.790 -9.598 25.121 329 HH12 ARG 41 HH12 ARG 41 -2.504 -11.261 25.510 330 HH21 ARG 41 HH21 ARG 41 -4.637 -12.524 23.040 331 HH22 ARG 41 HH22 ARG 41 -3.548 -12.916 24.335 332 H LEU 42 H LEU 42 -8.774 -6.710 20.818 333 HA LEU 42 HA LEU 42 -8.536 -3.869 20.850 334 HB2 LEU 42 HB2 LEU 42 -10.722 -5.696 21.937 335 HB3 LEU 42 HB3 LEU 42 -10.825 -3.947 21.963 336 HG LEU 42 HG LEU 42 -12.151 -4.630 20.130 337 HD11 LEU 42 HD11 LEU 42 -9.517 -3.804 18.920 338 HD12 LEU 42 HD12 LEU 42 -10.720 -2.720 19.626 339 HD13 LEU 42 HD13 LEU 42 -11.117 -3.654 18.187 340 HD21 LEU 42 HD21 LEU 42 -11.460 -6.134 18.355 341 HD22 LEU 42 HD22 LEU 42 -11.382 -6.935 19.919 342 HD23 LEU 42 HD23 LEU 42 -9.898 -6.387 19.136 343 H ARG 43 H ARG 43 -8.477 -2.483 22.575 344 HA ARG 43 HA ARG 43 -7.151 -3.080 24.976 345 HB2 ARG 43 HB2 ARG 43 -7.991 -0.770 25.680 346 HB3 ARG 43 HB3 ARG 43 -7.087 -0.832 24.170 347 HG2 ARG 43 HG2 ARG 43 -9.203 -0.780 22.900 348 HG3 ARG 43 HG3 ARG 43 -10.114 -0.699 24.409 349 HD2 ARG 43 HD2 ARG 43 -9.205 1.492 24.899 350 HD3 ARG 43 HD3 ARG 43 -8.079 1.384 23.539 351 HE ARG 43 HE ARG 43 -10.544 1.083 22.392 352 HH11 ARG 43 HH11 ARG 43 -9.184 3.592 24.450 353 HH12 ARG 43 HH12 ARG 43 -10.049 4.864 23.648 354 HH21 ARG 43 HH21 ARG 43 -11.631 2.766 21.346 355 HH22 ARG 43 HH22 ARG 43 -11.415 4.396 21.897 356 H ASP 44 H ASP 44 -10.511 -3.380 24.115 357 HA ASP 44 HA ASP 44 -11.650 -3.660 26.700 358 HB2 ASP 44 HB2 ASP 44 -13.057 -3.327 24.721 359 HB3 ASP 44 HB3 ASP 44 -12.489 -4.837 24.016 360 H GLY 45 H GLY 45 -10.412 -6.060 24.358 361 HA2 GLY 45 HA2 GLY 45 -8.951 -7.789 25.596 362 HA3 GLY 45 HA3 GLY 45 -10.446 -8.181 26.425 363 H ARG 46 H ARG 46 -11.709 -7.463 23.600 364 HA ARG 46 HA ARG 46 -11.930 -10.185 22.688 365 HB2 ARG 46 HB2 ARG 46 -12.771 -7.727 21.092 366 HB3 ARG 46 HB3 ARG 46 -13.424 -9.360 20.989 367 HG2 ARG 46 HG2 ARG 46 -13.779 -7.394 23.273 368 HG3 ARG 46 HG3 ARG 46 -15.007 -7.902 22.105 369 HD2 ARG 46 HD2 ARG 46 -14.878 -10.207 22.985 370 HD3 ARG 46 HD3 ARG 46 -13.648 -9.693 24.151 371 HE ARG 46 HE ARG 46 -15.690 -8.015 24.706 372 HH11 ARG 46 HH11 ARG 46 -15.584 -11.529 24.418 373 HH12 ARG 46 HH12 ARG 46 -16.871 -11.777 25.553 374 HH21 ARG 46 HH21 ARG 46 -17.387 -8.378 26.198 375 HH22 ARG 46 HH22 ARG 46 -17.884 -10.001 26.558 376 H GLU 47 H GLU 47 -11.463 -10.804 20.368 377 HA GLU 47 HA GLU 47 -9.142 -9.448 19.186 378 HB2 GLU 47 HB2 GLU 47 -9.126 -12.411 19.936 379 HB3 GLU 47 HB3 GLU 47 -7.934 -11.642 18.885 380 HG2 GLU 47 HG2 GLU 47 -7.459 -10.059 20.859 381 HG3 GLU 47 HG3 GLU 47 -8.395 -11.182 21.842 382 H ASN 48 H ASN 48 -8.674 -10.076 17.020 383 HA ASN 48 HA ASN 48 -10.870 -11.333 15.479 384 HB2 ASN 48 HB2 ASN 48 -9.520 -8.685 14.736 385 HB3 ASN 48 HB3 ASN 48 -10.753 -9.516 13.793 386 HD21 ASN 48 HD21 ASN 48 -10.123 -7.678 16.675 387 HD22 ASN 48 HD22 ASN 48 -11.741 -7.162 16.947 388 H LEU 49 H LEU 49 -10.083 -12.590 13.795 389 HA LEU 49 HA LEU 49 -7.183 -12.656 13.289 390 HB2 LEU 49 HB2 LEU 49 -8.390 -14.775 13.910 391 HB3 LEU 49 HB3 LEU 49 -9.300 -14.653 12.440 392 HG LEU 49 HG LEU 49 -7.387 -15.122 11.070 393 HD11 LEU 49 HD11 LEU 49 -5.100 -15.402 11.895 394 HD12 LEU 49 HD12 LEU 49 -5.601 -14.933 13.519 395 HD13 LEU 49 HD13 LEU 49 -5.675 -13.766 12.202 396 HD21 LEU 49 HD21 LEU 49 -7.303 -16.941 13.497 397 HD22 LEU 49 HD22 LEU 49 -6.686 -17.329 11.889 398 HD23 LEU 49 HD23 LEU 49 -8.413 -17.077 12.130 399 H TYR 50 H TYR 50 -6.382 -12.440 11.227 400 HA TYR 50 HA TYR 50 -8.183 -11.457 9.108 401 HB2 TYR 50 HB2 TYR 50 -5.421 -10.333 9.776 402 HB3 TYR 50 HB3 TYR 50 -6.535 -9.730 8.544 403 HD1 TYR 50 HD1 TYR 50 -9.014 -9.273 9.571 404 HD2 TYR 50 HD2 TYR 50 -5.360 -9.040 11.750 405 HE1 TYR 50 HE1 TYR 50 -10.099 -7.839 11.228 406 HE2 TYR 50 HE2 TYR 50 -6.445 -7.590 13.405 407 HH TYR 50 HH TYR 50 -9.858 -7.098 13.469 408 H GLY 51 H GLY 51 -7.252 -11.603 6.962 409 HA2 GLY 51 HA2 GLY 51 -4.957 -13.336 6.479 410 HA3 GLY 51 HA3 GLY 51 -6.521 -13.970 5.960 411 HA PRO 52 HA PRO 52 -4.852 -10.863 2.749 412 HB2 PRO 52 HB2 PRO 52 -3.763 -12.513 0.861 413 HB3 PRO 52 HB3 PRO 52 -2.839 -11.922 2.248 414 HG2 PRO 52 HG2 PRO 52 -4.144 -14.604 1.841 415 HG3 PRO 52 HG3 PRO 52 -2.559 -14.228 2.550 416 HD2 PRO 52 HD2 PRO 52 -4.825 -14.778 4.041 417 HD3 PRO 52 HD3 PRO 52 -3.463 -13.805 4.639 418 H ALA 53 H ALA 53 -6.755 -10.203 1.821 419 HA ALA 53 HA ALA 53 -8.689 -12.081 0.706 420 HB1 ALA 53 HB1 ALA 53 -10.085 -10.095 0.311 421 HB2 ALA 53 HB2 ALA 53 -8.739 -9.037 0.746 422 HB3 ALA 53 HB3 ALA 53 -9.461 -10.088 1.960 423 HA PRO 54 HA PRO 54 -7.431 -11.601 -3.646 424 HB2 PRO 54 HB2 PRO 54 -10.328 -11.340 -4.369 425 HB3 PRO 54 HB3 PRO 54 -9.135 -12.522 -4.925 426 HG2 PRO 54 HG2 PRO 54 -11.064 -13.232 -3.204 427 HG3 PRO 54 HG3 PRO 54 -9.421 -13.892 -3.048 428 HD2 PRO 54 HD2 PRO 54 -10.718 -11.651 -1.483 429 HD3 PRO 54 HD3 PRO 54 -9.722 -13.003 -0.895 430 H GLN 55 H GLN 55 -7.573 -10.030 -5.416 431 HA GLN 55 HA GLN 55 -8.312 -7.298 -4.534 432 HB2 GLN 55 HB2 GLN 55 -6.280 -6.516 -5.799 433 HB3 GLN 55 HB3 GLN 55 -5.900 -7.520 -4.404 434 HG2 GLN 55 HG2 GLN 55 -5.622 -9.472 -5.943 435 HG3 GLN 55 HG3 GLN 55 -5.861 -8.388 -7.309 436 HE21 GLN 55 HE21 GLN 55 -4.301 -6.191 -6.120 437 HE22 GLN 55 HE22 GLN 55 -2.651 -6.683 -6.221 438 H SER 56 H SER 56 -8.424 -5.789 -6.482 439 HA SER 56 HA SER 56 -10.067 -6.956 -8.582 440 HB2 SER 56 HB2 SER 56 -10.736 -4.808 -7.545 441 HB3 SER 56 HB3 SER 56 -9.227 -4.064 -8.076 442 HG SER 56 HG SER 56 -10.778 -5.301 -10.037 443 H PHE 57 H PHE 57 -8.782 -8.132 -9.933 444 HA PHE 57 HA PHE 57 -6.600 -6.746 -11.366 445 HB2 PHE 57 HB2 PHE 57 -5.299 -8.844 -11.434 446 HB3 PHE 57 HB3 PHE 57 -5.557 -8.307 -9.785 447 HD1 PHE 57 HD2 PHE 57 -7.017 -9.593 -8.260 448 HD2 PHE 57 HD1 PHE 57 -6.257 -10.959 -12.238 449 HE1 PHE 57 HE2 PHE 57 -7.818 -11.835 -7.646 450 HE2 PHE 57 HE1 PHE 57 -7.053 -13.200 -11.614 451 HZ PHE 57 HZ PHE 57 -7.836 -13.641 -9.322 452 H ALA 58 H ALA 58 -6.455 -7.103 -13.536 453 HA ALA 58 HA ALA 58 -8.543 -8.754 -14.850 454 HB1 ALA 58 HB1 ALA 58 -7.154 -6.250 -15.884 455 HB2 ALA 58 HB2 ALA 58 -8.804 -6.339 -15.270 456 HB3 ALA 58 HB3 ALA 58 -8.375 -7.188 -16.754 457 H ASP 59 H ASP 59 -7.804 -10.445 -15.945 458 HA ASP 59 HA ASP 59 -6.569 -11.925 -17.122 459 HB2 ASP 59 HB2 ASP 59 -6.382 -9.949 -18.697 460 HB3 ASP 59 HB3 ASP 59 -4.849 -9.542 -17.941 461 H ASP 60 H ASP 60 -5.764 -11.026 -14.315 462 HA ASP 60 HA ASP 60 -4.251 -11.452 -12.674 463 HB2 ASP 60 HB2 ASP 60 -3.240 -13.521 -14.668 464 HB3 ASP 60 HB3 ASP 60 -2.697 -13.429 -12.997 465 H GLU 61 H GLU 61 -3.598 -9.511 -14.910 466 HA GLU 61 HA GLU 61 -0.724 -9.317 -15.049 467 HB2 GLU 61 HB2 GLU 61 -2.998 -7.437 -15.826 468 HB3 GLU 61 HB3 GLU 61 -1.300 -7.031 -16.070 469 HG2 GLU 61 HG2 GLU 61 -2.665 -9.459 -17.289 470 HG3 GLU 61 HG3 GLU 61 -2.480 -7.905 -18.104 471 H ASP 62 H ASP 62 -3.275 -7.983 -13.039 472 HA ASP 62 HA ASP 62 -1.648 -5.842 -11.932 473 HB2 ASP 62 HB2 ASP 62 -4.492 -6.651 -11.233 474 HB3 ASP 62 HB3 ASP 62 -3.693 -5.164 -10.730 475 H ILE 63 H ILE 63 -1.871 -9.079 -11.187 476 HA ILE 63 HA ILE 63 -2.187 -9.348 -8.444 477 HB ILE 63 HB ILE 63 -0.174 -10.869 -10.168 478 HG12 ILE 63 HG12 ILE 63 -2.450 -11.017 -11.074 479 HG13 ILE 63 HG13 ILE 63 -1.941 -12.574 -10.444 480 HG21 ILE 63 HG21 ILE 63 -0.355 -12.703 -8.499 481 HG22 ILE 63 HG22 ILE 63 -1.347 -11.663 -7.473 482 HG23 ILE 63 HG23 ILE 63 0.331 -11.233 -7.804 483 HD11 ILE 63 HD11 ILE 63 -3.811 -10.636 -9.086 484 HD12 ILE 63 HD12 ILE 63 -3.288 -12.193 -8.434 485 HD13 ILE 63 HD13 ILE 63 -4.249 -12.132 -9.909 486 H MET 64 H MET 64 0.789 -8.585 -10.210 487 HA MET 64 HA MET 64 2.355 -8.210 -7.747 488 HB2 MET 64 HB2 MET 64 3.588 -7.801 -10.475 489 HB3 MET 64 HB3 MET 64 4.275 -8.548 -9.043 490 HG2 MET 64 HG2 MET 64 4.062 -10.284 -10.635 491 HG3 MET 64 HG3 MET 64 2.700 -10.527 -9.533 492 HE1 MET 64 HE1 MET 64 1.514 -12.105 -11.358 493 HE2 MET 64 HE2 MET 64 2.822 -11.861 -12.515 494 HE3 MET 64 HE3 MET 64 1.150 -11.591 -13.003 495 H ARG 65 H ARG 65 0.667 -6.413 -10.155 496 HA ARG 65 HA ARG 65 2.354 -4.007 -9.965 497 HB2 ARG 65 HB2 ARG 65 0.123 -4.537 -11.969 498 HB3 ARG 65 HB3 ARG 65 1.422 -3.348 -12.087 499 HG2 ARG 65 HG2 ARG 65 1.747 -6.366 -12.229 500 HG3 ARG 65 HG3 ARG 65 1.761 -5.263 -13.606 501 HD2 ARG 65 HD2 ARG 65 3.766 -5.103 -11.331 502 HD3 ARG 65 HD3 ARG 65 4.029 -6.074 -12.780 503 HE ARG 65 HE ARG 65 3.449 -3.559 -13.714 504 HH11 ARG 65 HH11 ARG 65 5.866 -4.832 -11.515 505 HH12 ARG 65 HH12 ARG 65 7.099 -3.729 -12.040 506 HH21 ARG 65 HH21 ARG 65 5.096 -2.152 -14.424 507 HH22 ARG 65 HH22 ARG 65 6.657 -2.207 -13.670 508 H ALA 66 H ALA 66 -0.295 -5.174 -8.438 509 HA ALA 66 HA ALA 66 -1.195 -2.495 -7.626 510 HB1 ALA 66 HB1 ALA 66 -3.575 -3.164 -7.685 511 HB2 ALA 66 HB2 ALA 66 -3.138 -4.723 -8.391 512 HB3 ALA 66 HB3 ALA 66 -2.868 -3.236 -9.301 513 H GLU 67 H GLU 67 -1.828 -2.410 -5.478 514 HA GLU 67 HA GLU 67 -0.915 -4.502 -3.718 515 HB2 GLU 67 HB2 GLU 67 -0.585 -2.143 -3.096 516 HB3 GLU 67 HB3 GLU 67 -2.313 -1.843 -3.143 517 HG2 GLU 67 HG2 GLU 67 -1.608 -1.997 -0.847 518 HG3 GLU 67 HG3 GLU 67 -2.614 -3.392 -1.223 519 H ARG 68 H ARG 68 -2.193 -5.791 -2.406 520 HA ARG 68 HA ARG 68 -5.017 -6.140 -3.182 521 HB2 ARG 68 HB2 ARG 68 -4.826 -8.367 -2.180 522 HB3 ARG 68 HB3 ARG 68 -3.512 -8.114 -3.323 523 HG2 ARG 68 HG2 ARG 68 -2.014 -7.569 -1.359 524 HG3 ARG 68 HG3 ARG 68 -3.340 -8.053 -0.291 525 HD2 ARG 68 HD2 ARG 68 -1.870 -9.787 -2.304 526 HD3 ARG 68 HD3 ARG 68 -1.825 -9.920 -0.544 527 HE ARG 68 HE ARG 68 -4.361 -10.366 -0.835 528 HH11 ARG 68 HH11 ARG 68 -1.939 -11.428 -3.161 529 HH12 ARG 68 HH12 ARG 68 -2.820 -12.863 -3.583 530 HH21 ARG 68 HH21 ARG 68 -5.514 -12.214 -1.451 531 HH22 ARG 68 HH22 ARG 68 -4.835 -13.310 -2.610 532 H ARG 69 H ARG 69 -6.585 -6.504 -1.502 533 HA ARG 69 HA ARG 69 -6.130 -4.961 0.958 534 HB2 ARG 69 HB2 ARG 69 -8.019 -4.447 -0.709 535 HB3 ARG 69 HB3 ARG 69 -8.754 -5.973 -0.229 536 HG2 ARG 69 HG2 ARG 69 -9.199 -5.166 1.985 537 HG3 ARG 69 HG3 ARG 69 -8.143 -3.766 1.761 538 HD2 ARG 69 HD2 ARG 69 -9.687 -2.801 0.129 539 HD3 ARG 69 HD3 ARG 69 -10.710 -4.239 0.198 540 HE ARG 69 HE ARG 69 -10.714 -3.399 2.756 541 HH11 ARG 69 HH11 ARG 69 -11.287 -1.588 -0.201 542 HH12 ARG 69 HH12 ARG 69 -12.504 -0.583 0.525 543 HH21 ARG 69 HH21 ARG 69 -12.313 -2.109 3.668 544 HH22 ARG 69 HH22 ARG 69 -13.078 -0.877 2.716 545 H PHE 70 H PHE 70 -6.999 -5.927 2.952 546 HA PHE 70 HA PHE 70 -6.689 -8.864 3.004 547 HB2 PHE 70 HB2 PHE 70 -6.111 -6.669 4.993 548 HB3 PHE 70 HB3 PHE 70 -6.564 -8.252 5.616 549 HD1 PHE 70 HD1 PHE 70 -4.448 -7.228 2.685 550 HD2 PHE 70 HD2 PHE 70 -4.643 -9.296 6.422 551 HE1 PHE 70 HE1 PHE 70 -2.165 -8.086 2.335 552 HE2 PHE 70 HE2 PHE 70 -2.370 -10.136 6.068 553 HZ PHE 70 HZ PHE 70 -1.130 -9.544 4.025 554 H GLU 71 H GLU 71 -7.958 -9.796 4.978 555 HA GLU 71 HA GLU 71 -10.755 -8.886 4.997 556 HB2 GLU 71 HB2 GLU 71 -11.526 -11.206 4.607 557 HB3 GLU 71 HB3 GLU 71 -10.616 -10.597 3.235 558 HG2 GLU 71 HG2 GLU 71 -8.665 -11.910 3.892 559 HG3 GLU 71 HG3 GLU 71 -9.493 -12.464 5.349 560 H THR 72 H THR 72 -11.982 -9.820 6.780 561 HA THR 72 HA THR 72 -10.321 -10.508 9.111 562 HB THR 72 HB THR 72 -13.279 -9.735 9.054 563 HG1 THR 72 HG1 THR 72 -12.583 -7.647 9.557 564 HG21 THR 72 HG21 THR 72 -12.933 -9.189 11.437 565 HG22 THR 72 HG22 THR 72 -11.259 -9.740 11.328 566 HG23 THR 72 HG23 THR 72 -12.582 -10.890 11.121 567 H ARG 73 H ARG 73 -10.106 -12.690 9.398 568 HA ARG 73 HA ARG 73 -11.838 -14.643 8.201 569 HB2 ARG 73 HB2 ARG 73 -9.590 -14.940 10.249 570 HB3 ARG 73 HB3 ARG 73 -10.371 -16.283 9.431 571 HG2 ARG 73 HG2 ARG 73 -8.608 -14.141 8.199 572 HG3 ARG 73 HG3 ARG 73 -8.250 -15.863 8.362 573 HD2 ARG 73 HD2 ARG 73 -10.370 -14.611 6.570 574 HD3 ARG 73 HD3 ARG 73 -8.836 -15.311 6.047 575 HE ARG 73 HE ARG 73 -10.397 -17.228 7.463 576 HH11 ARG 73 HH11 ARG 73 -10.219 -15.659 4.302 577 HH12 ARG 73 HH12 ARG 73 -11.006 -16.974 3.498 578 HH21 ARG 73 HH21 ARG 73 -11.407 -18.921 6.365 579 HH22 ARG 73 HH22 ARG 73 -11.673 -18.810 4.655 580 H LEU 74 H LEU 74 -11.127 -13.624 11.515 581 HA LEU 74 HA LEU 74 -13.756 -14.587 12.499 582 HB2 LEU 74 HB2 LEU 74 -11.052 -14.792 13.909 583 HB3 LEU 74 HB3 LEU 74 -12.598 -15.229 14.628 584 HG LEU 74 HG LEU 74 -11.422 -16.618 12.184 585 HD11 LEU 74 HD11 LEU 74 -10.804 -18.473 13.668 586 HD12 LEU 74 HD12 LEU 74 -11.293 -17.523 15.074 587 HD13 LEU 74 HD13 LEU 74 -9.938 -16.991 14.076 588 HD21 LEU 74 HD21 LEU 74 -13.860 -16.824 12.342 589 HD22 LEU 74 HD22 LEU 74 -13.724 -17.414 14.001 590 HD23 LEU 74 HD23 LEU 74 -13.085 -18.375 12.665 591 H ALA 75 H ALA 75 -14.659 -13.190 14.143 592 HA ALA 75 HA ALA 75 -13.198 -10.738 14.800 593 HB1 ALA 75 HB1 ALA 75 -15.921 -10.603 13.463 594 HB2 ALA 75 HB2 ALA 75 -14.383 -10.244 12.676 595 HB3 ALA 75 HB3 ALA 75 -14.936 -9.243 14.019 596 H GLY 76 H GLY 76 -13.627 -9.940 16.739 597 HA2 GLY 76 HA2 GLY 76 -14.419 -9.707 18.872 598 HA3 GLY 76 HA3 GLY 76 -16.017 -9.993 18.212 599 H VAL 77 H VAL 77 -13.165 -12.032 18.450 600 HA VAL 77 HA VAL 77 -14.675 -14.121 19.911 601 HB VAL 77 HB VAL 77 -13.330 -15.826 18.665 602 HG11 VAL 77 HG11 VAL 77 -14.536 -15.688 16.509 603 HG12 VAL 77 HG12 VAL 77 -14.951 -14.006 16.844 604 HG13 VAL 77 HG13 VAL 77 -15.591 -15.293 17.869 605 HG21 VAL 77 HG21 VAL 77 -12.056 -15.194 16.623 606 HG22 VAL 77 HG22 VAL 77 -11.362 -14.461 18.069 607 HG23 VAL 77 HG23 VAL 77 -12.343 -13.485 16.973 608 H GLU 78 H GLU 78 -12.877 -15.817 20.698 609 HA GLU 78 HA GLU 78 -10.901 -14.319 22.272 610 HB2 GLU 78 HB2 GLU 78 -10.764 -16.329 23.693 611 HB3 GLU 78 HB3 GLU 78 -12.424 -15.766 23.544 612 HG2 GLU 78 HG2 GLU 78 -12.911 -17.550 21.930 613 HG3 GLU 78 HG3 GLU 78 -11.235 -18.097 22.004 614 H GLY 79 H GLY 79 -8.836 -15.532 22.715 615 HA2 GLY 79 HA2 GLY 79 -7.283 -15.612 20.363 616 HA3 GLY 79 HA3 GLY 79 -6.747 -16.057 21.972 617 H GLU 80 H GLU 80 -8.849 -18.162 22.169 618 HA GLU 80 HA GLU 80 -7.419 -20.413 21.275 619 HB2 GLU 80 HB2 GLU 80 -9.116 -20.470 23.108 620 HB3 GLU 80 HB3 GLU 80 -10.396 -20.232 21.928 621 HG2 GLU 80 HG2 GLU 80 -10.267 -22.574 22.592 622 HG3 GLU 80 HG3 GLU 80 -9.876 -22.389 20.882 623 H GLU 81 H GLU 81 -10.243 -18.753 19.897 624 HA GLU 81 HA GLU 81 -10.718 -20.419 17.677 625 HB2 GLU 81 HB2 GLU 81 -11.307 -17.453 18.053 626 HB3 GLU 81 HB3 GLU 81 -11.982 -18.451 16.763 627 HG2 GLU 81 HG2 GLU 81 -12.431 -18.869 19.741 628 HG3 GLU 81 HG3 GLU 81 -13.558 -18.085 18.634 629 H ILE 82 H ILE 82 -8.660 -17.590 18.115 630 HA ILE 82 HA ILE 82 -7.940 -17.079 15.450 631 HB ILE 82 HB ILE 82 -6.151 -16.628 17.896 632 HG12 ILE 82 HG12 ILE 82 -8.373 -15.632 18.357 633 HG13 ILE 82 HG13 ILE 82 -7.177 -14.366 18.119 634 HG21 ILE 82 HG21 ILE 82 -5.168 -14.785 16.604 635 HG22 ILE 82 HG22 ILE 82 -6.238 -15.141 15.248 636 HG23 ILE 82 HG23 ILE 82 -5.012 -16.313 15.734 637 HD11 ILE 82 HD11 ILE 82 -9.290 -13.800 17.093 638 HD12 ILE 82 HD12 ILE 82 -9.241 -15.264 16.111 639 HD13 ILE 82 HD13 ILE 82 -8.044 -13.990 15.861 640 H ALA 83 H ALA 83 -6.180 -18.920 17.971 641 HA ALA 83 HA ALA 83 -4.085 -19.900 16.299 642 HB1 ALA 83 HB1 ALA 83 -3.473 -21.296 18.230 643 HB2 ALA 83 HB2 ALA 83 -5.015 -20.913 19.005 644 HB3 ALA 83 HB3 ALA 83 -3.825 -19.640 18.731 645 H ALA 84 H ALA 84 -7.264 -21.097 17.121 646 HA ALA 84 HA ALA 84 -7.005 -23.822 16.485 647 HB1 ALA 84 HB1 ALA 84 -9.456 -23.857 16.303 648 HB2 ALA 84 HB2 ALA 84 -9.490 -22.089 16.262 649 HB3 ALA 84 HB3 ALA 84 -8.937 -22.929 17.711 650 H LEU 85 H LEU 85 -7.686 -21.000 14.444 651 HA LEU 85 HA LEU 85 -8.015 -22.579 12.036 652 HB2 LEU 85 HB2 LEU 85 -9.176 -20.399 12.286 653 HB3 LEU 85 HB3 LEU 85 -7.624 -19.584 12.322 654 HG LEU 85 HG LEU 85 -7.551 -21.166 9.962 655 HD11 LEU 85 HD11 LEU 85 -10.231 -19.832 10.118 656 HD12 LEU 85 HD12 LEU 85 -9.885 -21.565 10.047 657 HD13 LEU 85 HD13 LEU 85 -9.486 -20.533 8.676 658 HD21 LEU 85 HD21 LEU 85 -7.984 -18.192 10.245 659 HD22 LEU 85 HD22 LEU 85 -7.533 -19.029 8.755 660 HD23 LEU 85 HD23 LEU 85 -6.444 -19.065 10.141 661 H LEU 86 H LEU 86 -5.452 -20.606 13.533 662 HA LEU 86 HA LEU 86 -3.691 -20.398 11.365 663 HB2 LEU 86 HB2 LEU 86 -2.998 -20.517 14.327 664 HB3 LEU 86 HB3 LEU 86 -1.871 -20.046 13.060 665 HG LEU 86 HG LEU 86 -4.384 -18.549 13.882 666 HD11 LEU 86 HD11 LEU 86 -1.467 -17.775 14.144 667 HD12 LEU 86 HD12 LEU 86 -2.539 -18.273 15.456 668 HD13 LEU 86 HD13 LEU 86 -2.855 -16.775 14.585 669 HD21 LEU 86 HD21 LEU 86 -2.445 -17.897 11.644 670 HD22 LEU 86 HD22 LEU 86 -3.733 -16.841 12.230 671 HD23 LEU 86 HD23 LEU 86 -4.137 -18.376 11.473 672 H GLU 87 H GLU 87 -4.190 -23.062 13.601 673 HA GLU 87 HA GLU 87 -1.882 -24.582 12.846 674 HB2 GLU 87 HB2 GLU 87 -2.769 -26.371 14.166 675 HB3 GLU 87 HB3 GLU 87 -3.088 -24.880 15.025 676 HG2 GLU 87 HG2 GLU 87 -5.246 -25.474 15.205 677 HG3 GLU 87 HG3 GLU 87 -5.409 -25.320 13.475 678 H ARG 88 H ARG 88 -5.175 -24.287 11.659 679 HA ARG 88 HA ARG 88 -5.205 -26.689 10.104 680 HB2 ARG 88 HB2 ARG 88 -6.970 -24.208 9.886 681 HB3 ARG 88 HB3 ARG 88 -7.310 -25.776 9.148 682 HG2 ARG 88 HG2 ARG 88 -7.557 -26.795 11.361 683 HG3 ARG 88 HG3 ARG 88 -7.102 -25.277 12.136 684 HD2 ARG 88 HD2 ARG 88 -9.140 -24.235 10.998 685 HD3 ARG 88 HD3 ARG 88 -9.630 -25.881 10.574 686 HE ARG 88 HE ARG 88 -9.218 -26.005 13.268 687 HH11 ARG 88 HH11 ARG 88 -11.212 -23.947 11.241 688 HH12 ARG 88 HH12 ARG 88 -12.371 -23.642 12.488 689 HH21 ARG 88 HH21 ARG 88 -10.750 -25.579 14.900 690 HH22 ARG 88 HH22 ARG 88 -12.110 -24.562 14.555 691 H GLU 89 H GLU 89 -4.627 -23.246 9.456 692 HA GLU 89 HA GLU 89 -4.432 -23.487 6.609 693 HB2 GLU 89 HB2 GLU 89 -3.565 -21.164 8.383 694 HB3 GLU 89 HB3 GLU 89 -3.780 -21.111 6.631 695 HG2 GLU 89 HG2 GLU 89 -5.895 -21.448 8.766 696 HG3 GLU 89 HG3 GLU 89 -5.687 -20.101 7.652 697 H ARG 90 H ARG 90 -2.069 -23.210 9.257 698 HA ARG 90 HA ARG 90 0.258 -23.120 7.612 699 HB2 ARG 90 HB2 ARG 90 1.582 -23.459 9.561 700 HB3 ARG 90 HB3 ARG 90 0.196 -22.497 10.060 701 HG2 ARG 90 HG2 ARG 90 -0.855 -24.569 10.983 702 HG3 ARG 90 HG3 ARG 90 0.609 -25.462 10.561 703 HD2 ARG 90 HD2 ARG 90 1.929 -24.004 12.054 704 HD3 ARG 90 HD3 ARG 90 0.462 -23.103 12.470 705 HE ARG 90 HE ARG 90 0.656 -26.005 13.010 706 HH11 ARG 90 HH11 ARG 90 0.140 -22.749 14.222 707 HH12 ARG 90 HH12 ARG 90 -0.222 -23.288 15.831 708 HH21 ARG 90 HH21 ARG 90 0.125 -26.690 15.117 709 HH22 ARG 90 HH22 ARG 90 -0.253 -25.506 16.323 710 H ARG 91 H ARG 91 -1.696 -25.773 8.761 711 HA ARG 91 HA ARG 91 -0.061 -27.987 8.227 712 HB2 ARG 91 HB2 ARG 91 -2.138 -28.135 9.504 713 HB3 ARG 91 HB3 ARG 91 -3.086 -27.647 8.116 714 HG2 ARG 91 HG2 ARG 91 -1.512 -30.229 8.021 715 HG3 ARG 91 HG3 ARG 91 -3.047 -30.164 8.884 716 HD2 ARG 91 HD2 ARG 91 -4.090 -29.286 6.735 717 HD3 ARG 91 HD3 ARG 91 -2.565 -29.665 5.929 718 HE ARG 91 HE ARG 91 -3.749 -31.870 7.390 719 HH11 ARG 91 HH11 ARG 91 -3.497 -30.316 4.250 720 HH12 ARG 91 HH12 ARG 91 -4.167 -31.670 3.404 721 HH21 ARG 91 HH21 ARG 91 -4.627 -33.628 6.258 722 HH22 ARG 91 HH22 ARG 91 -4.826 -33.533 4.536 723 H PHE 92 H PHE 92 -2.269 -26.173 6.094 724 HA PHE 92 HA PHE 92 -1.696 -27.752 3.749 725 HB2 PHE 92 HB2 PHE 92 -3.232 -25.166 4.211 726 HB3 PHE 92 HB3 PHE 92 -2.998 -25.836 2.604 727 HD1 PHE 92 HD1 PHE 92 -4.112 -27.919 1.927 728 HD2 PHE 92 HD2 PHE 92 -4.748 -26.266 5.808 729 HE1 PHE 92 HE1 PHE 92 -6.049 -29.398 2.243 730 HE2 PHE 92 HE2 PHE 92 -6.686 -27.750 6.121 731 HZ PHE 92 HZ PHE 92 -7.336 -29.318 4.338 732 H ASP 93 H ASP 93 -0.827 -24.468 4.839 733 HA ASP 93 HA ASP 93 1.490 -24.387 3.035 734 HB2 ASP 93 HB2 ASP 93 -0.654 -22.223 3.215 735 HB3 ASP 93 HB3 ASP 93 0.885 -22.020 2.398 736 H SER 94 H SER 94 3.086 -24.228 4.486 737 HA SER 94 HA SER 94 2.906 -22.814 6.994 738 HB2 SER 94 HB2 SER 94 4.231 -24.912 6.740 739 HB3 SER 94 HB3 SER 94 5.337 -24.084 5.647 740 HG SER 94 HG SER 94 5.686 -24.265 8.152 741 H ASP 95 H ASP 95 3.300 -21.666 3.883 742 HA ASP 95 HA ASP 95 5.378 -19.722 4.279 743 HB2 ASP 95 HB2 ASP 95 4.642 -18.751 2.129 744 HB3 ASP 95 HB3 ASP 95 4.878 -20.487 2.024 745 H LEU 96 H LEU 96 2.441 -19.806 5.789 746 HA LEU 96 HA LEU 96 1.726 -17.036 5.560 747 HB2 LEU 96 HB2 LEU 96 -0.028 -17.403 7.060 748 HB3 LEU 96 HB3 LEU 96 0.088 -18.905 6.161 749 HG LEU 96 HG LEU 96 1.228 -18.504 8.949 750 HD11 LEU 96 HD11 LEU 96 -0.692 -19.743 9.810 751 HD12 LEU 96 HD12 LEU 96 -1.388 -19.833 8.188 752 HD13 LEU 96 HD13 LEU 96 -1.213 -18.268 8.990 753 HD21 LEU 96 HD21 LEU 96 2.351 -20.280 7.716 754 HD22 LEU 96 HD22 LEU 96 0.797 -21.053 7.381 755 HD23 LEU 96 HD23 LEU 96 1.388 -20.929 9.040 756 H TRP 97 H TRP 97 1.940 -15.448 7.081 757 HA TRP 97 HA TRP 97 3.997 -15.724 9.185 758 HB2 TRP 97 HB2 TRP 97 2.865 -13.237 7.804 759 HB3 TRP 97 HB3 TRP 97 4.063 -13.212 9.094 760 HD1 TRP 97 HD1 TRP 97 3.904 -15.077 5.653 761 HE1 TRP 97 HE1 TRP 97 6.157 -14.729 4.480 762 HE3 TRP 97 HE3 TRP 97 6.176 -12.122 9.131 763 HZ2 TRP 97 HZ2 TRP 97 8.575 -13.377 4.950 764 HZ3 TRP 97 HZ3 TRP 97 8.462 -11.321 8.700 765 HH2 TRP 97 HH2 TRP 97 9.636 -11.936 6.644 766 H VAL 98 H VAL 98 3.391 -15.251 11.296 767 HA VAL 98 HA VAL 98 0.561 -14.497 11.777 768 HB VAL 98 HB VAL 98 2.367 -16.138 13.618 769 HG11 VAL 98 HG11 VAL 98 0.327 -16.364 15.042 770 HG12 VAL 98 HG12 VAL 98 -0.528 -15.251 13.969 771 HG13 VAL 98 HG13 VAL 98 0.857 -14.685 14.907 772 HG21 VAL 98 HG21 VAL 98 -0.097 -16.985 12.027 773 HG22 VAL 98 HG22 VAL 98 0.784 -18.003 13.169 774 HG23 VAL 98 HG23 VAL 98 1.569 -17.461 11.685 775 H VAL 99 H VAL 99 0.383 -12.478 12.422 776 HA VAL 99 HA VAL 99 2.575 -11.187 13.980 777 HB VAL 99 HB VAL 99 0.688 -9.619 12.176 778 HG11 VAL 99 HG11 VAL 99 3.451 -8.942 13.228 779 HG12 VAL 99 HG12 VAL 99 1.920 -8.295 13.823 780 HG13 VAL 99 HG13 VAL 99 2.468 -7.906 12.188 781 HG21 VAL 99 HG21 VAL 99 3.359 -10.762 11.294 782 HG22 VAL 99 HG22 VAL 99 2.358 -9.646 10.360 783 HG23 VAL 99 HG23 VAL 99 1.773 -11.275 10.709 784 H GLU 100 H GLU 100 1.807 -10.993 16.059 785 HA GLU 100 HA GLU 100 -1.040 -10.511 16.526 786 HB2 GLU 100 HB2 GLU 100 -0.413 -10.680 18.970 787 HB3 GLU 100 HB3 GLU 100 -0.163 -12.135 18.016 788 HG2 GLU 100 HG2 GLU 100 2.248 -11.705 17.946 789 HG3 GLU 100 HG3 GLU 100 2.020 -10.198 18.834 790 H ILE 101 H ILE 101 -1.653 -8.501 16.182 791 HA ILE 101 HA ILE 101 -0.101 -6.238 17.275 792 HB ILE 101 HB ILE 101 -1.363 -4.745 15.827 793 HG12 ILE 101 HG12 ILE 101 -2.924 -7.168 14.803 794 HG13 ILE 101 HG13 ILE 101 -3.578 -5.933 15.864 795 HG21 ILE 101 HG21 ILE 101 -0.609 -5.508 13.598 796 HG22 ILE 101 HG22 ILE 101 -0.394 -7.144 14.223 797 HG23 ILE 101 HG23 ILE 101 0.608 -5.831 14.831 798 HD11 ILE 101 HD11 ILE 101 -4.300 -5.596 13.592 799 HD12 ILE 101 HD12 ILE 101 -2.631 -5.519 13.036 800 HD13 ILE 101 HD13 ILE 101 -3.267 -4.261 14.101 801 H GLU 102 H GLU 102 -1.046 -4.830 18.756 802 HA GLU 102 HA GLU 102 -3.751 -5.496 19.770 803 HB2 GLU 102 HB2 GLU 102 -1.994 -5.999 21.456 804 HB3 GLU 102 HB3 GLU 102 -1.404 -4.338 21.353 805 HG2 GLU 102 HG2 GLU 102 -3.599 -3.525 22.176 806 HG3 GLU 102 HG3 GLU 102 -4.177 -5.184 22.283 807 H THR 103 H THR 103 -5.147 -3.967 19.246 808 HA THR 103 HA THR 103 -4.525 -1.160 19.408 809 HB THR 103 HB THR 103 -3.522 -1.587 17.217 810 HG1 THR 103 HG1 THR 103 -5.390 -0.312 16.005 811 HG21 THR 103 HG21 THR 103 -4.845 -3.642 16.617 812 HG22 THR 103 HG22 THR 103 -4.758 -2.459 15.315 813 HG23 THR 103 HG23 THR 103 -6.228 -2.596 16.270 814 H ASP 104 H ASP 104 -6.344 0.186 19.143 815 HA ASP 104 HA ASP 104 -8.869 -1.009 19.927 816 HB2 ASP 104 HB2 ASP 104 -9.595 1.300 20.341 817 HB3 ASP 104 HB3 ASP 104 -8.020 1.021 21.065 818 H GLU 105 H GLU 105 -7.553 0.751 17.150 819 HA GLU 105 HA GLU 105 -9.985 0.112 15.582 820 HB2 GLU 105 HB2 GLU 105 -9.593 2.175 14.250 821 HB3 GLU 105 HB3 GLU 105 -9.942 2.524 15.933 822 HG2 GLU 105 HG2 GLU 105 -7.563 2.942 16.366 823 HG3 GLU 105 HG3 GLU 105 -7.176 2.540 14.695 824 H ILE 106 H ILE 106 -9.653 -0.899 13.669 825 HA ILE 106 HA ILE 106 -6.943 -1.945 13.234 826 HB ILE 106 HB ILE 106 -8.731 -3.591 13.593 827 HG12 ILE 106 HG12 ILE 106 -8.336 -5.021 11.545 828 HG13 ILE 106 HG13 ILE 106 -7.591 -3.631 10.758 829 HG21 ILE 106 HG21 ILE 106 -10.658 -2.361 12.721 830 HG22 ILE 106 HG22 ILE 106 -10.551 -3.951 11.966 831 HG23 ILE 106 HG23 ILE 106 -10.045 -2.515 11.072 832 HD11 ILE 106 HD11 ILE 106 -5.955 -5.191 11.650 833 HD12 ILE 106 HD12 ILE 106 -6.599 -4.970 13.276 834 HD13 ILE 106 HD13 ILE 106 -5.830 -3.621 12.435 835 H GLY 107 H GLY 107 -9.376 0.008 11.552 836 HA2 GLY 107 HA2 GLY 107 -8.795 -0.737 8.885 837 HA3 GLY 107 HA3 GLY 107 -9.633 0.721 9.382 838 H THR 108 H THR 108 -7.561 1.913 10.858 839 HA THR 108 HA THR 108 -6.281 3.408 8.827 840 HB THR 108 HB THR 108 -6.943 4.367 11.001 841 HG1 THR 108 HG1 THR 108 -4.552 5.202 11.410 842 HG21 THR 108 HG21 THR 108 -6.353 2.504 12.515 843 HG22 THR 108 HG22 THR 108 -5.584 4.003 13.040 844 HG23 THR 108 HG23 THR 108 -4.638 2.776 12.195 845 H LEU 109 H LEU 109 -5.258 0.589 10.585 846 HA LEU 109 HA LEU 109 -2.446 0.901 9.707 847 HB2 LEU 109 HB2 LEU 109 -1.948 -0.552 11.796 848 HB3 LEU 109 HB3 LEU 109 -2.312 1.141 12.026 849 HG LEU 109 HG LEU 109 -4.800 0.236 12.431 850 HD11 LEU 109 HD11 LEU 109 -4.926 -1.915 13.512 851 HD12 LEU 109 HD12 LEU 109 -3.204 -2.194 13.267 852 HD13 LEU 109 HD13 LEU 109 -4.295 -2.118 11.878 853 HD21 LEU 109 HD21 LEU 109 -3.477 1.486 14.076 854 HD22 LEU 109 HD22 LEU 109 -2.654 0.001 14.558 855 HD23 LEU 109 HD23 LEU 109 -4.387 0.181 14.834 856 H LEU 110 H LEU 110 -5.207 -0.857 9.222 857 HA LEU 110 HA LEU 110 -3.967 -2.697 7.455 858 HB2 LEU 110 HB2 LEU 110 -3.480 -3.931 9.552 859 HB3 LEU 110 HB3 LEU 110 -5.178 -3.874 9.997 860 HG LEU 110 HG LEU 110 -5.724 -5.288 8.035 861 HD11 LEU 110 HD11 LEU 110 -2.747 -5.471 7.577 862 HD12 LEU 110 HD12 LEU 110 -3.931 -4.688 6.528 863 HD13 LEU 110 HD13 LEU 110 -3.982 -6.432 6.759 864 HD21 LEU 110 HD21 LEU 110 -5.367 -6.335 10.235 865 HD22 LEU 110 HD22 LEU 110 -3.653 -6.550 9.860 866 HD23 LEU 110 HD23 LEU 110 -4.879 -7.407 8.923 867 H THR 111 H THR 111 -5.355 -2.323 5.864 868 HA THR 111 HA THR 111 -8.172 -1.762 6.315 869 HB THR 111 HB THR 111 -6.448 -1.691 3.806 870 HG1 THR 111 HG1 THR 111 -6.878 0.019 5.838 871 HG21 THR 111 HG21 THR 111 -8.745 -2.186 3.112 872 HG22 THR 111 HG22 THR 111 -8.376 -0.500 2.744 873 HG23 THR 111 HG23 THR 111 -9.369 -0.894 4.150 874 H LEU 112 H LEU 112 -9.845 -3.040 5.801 875 HA LEU 112 HA LEU 112 -9.373 -5.813 4.852 876 HB2 LEU 112 HB2 LEU 112 -11.209 -4.966 7.128 877 HB3 LEU 112 HB3 LEU 112 -10.859 -6.616 6.620 878 HG LEU 112 HG LEU 112 -8.648 -4.814 7.638 879 HD11 LEU 112 HD11 LEU 112 -10.456 -6.487 9.364 880 HD12 LEU 112 HD12 LEU 112 -10.318 -4.725 9.351 881 HD13 LEU 112 HD13 LEU 112 -8.957 -5.710 9.877 882 HD21 LEU 112 HD21 LEU 112 -7.541 -6.914 8.227 883 HD22 LEU 112 HD22 LEU 112 -7.951 -6.878 6.516 884 HD23 LEU 112 HD23 LEU 112 -8.926 -7.834 7.634 885 H VAL 113 H VAL 113 -11.107 -6.733 3.698 886 HA VAL 113 HA VAL 113 -12.969 -4.989 2.378 887 HB VAL 113 HB VAL 113 -13.829 -7.102 1.278 888 HG11 VAL 113 HG11 VAL 113 -11.990 -5.843 0.232 889 HG12 VAL 113 HG12 VAL 113 -11.802 -7.574 -0.051 890 HG13 VAL 113 HG13 VAL 113 -10.808 -6.764 1.164 891 HG21 VAL 113 HG21 VAL 113 -11.658 -8.503 2.892 892 HG22 VAL 113 HG22 VAL 113 -12.641 -9.243 1.625 893 HG23 VAL 113 HG23 VAL 113 -13.397 -8.702 3.126 894 H ASP 114 H ASP 114 -13.046 -7.155 5.097 895 HA ASP 114 HA ASP 114 -15.846 -7.400 5.498 896 HB2 ASP 114 HB2 ASP 114 -14.289 -8.951 6.554 897 HB3 ASP 114 HB3 ASP 114 -13.465 -7.642 7.385 898 H GLN 115 H GLN 115 -13.401 -5.374 7.130 899 HA GLN 115 HA GLN 115 -15.282 -3.645 8.427 900 HB2 GLN 115 HB2 GLN 115 -12.272 -3.444 7.984 901 HB3 GLN 115 HB3 GLN 115 -13.185 -2.287 8.952 902 HG2 GLN 115 HG2 GLN 115 -13.027 -5.264 9.530 903 HG3 GLN 115 HG3 GLN 115 -12.004 -4.046 10.288 904 HE21 GLN 115 HE21 GLN 115 -12.937 -2.592 11.788 905 HE22 GLN 115 HE22 GLN 115 -14.455 -2.920 12.542 906 HA PRO 116 HA PRO 116 -16.394 -0.793 5.286 907 HB2 PRO 116 HB2 PRO 116 -16.220 1.715 6.485 908 HB3 PRO 116 HB3 PRO 116 -17.532 0.561 6.757 909 HG2 PRO 116 HG2 PRO 116 -15.070 1.062 8.427 910 HG3 PRO 116 HG3 PRO 116 -16.753 0.839 8.953 911 HD2 PRO 116 HD2 PRO 116 -14.976 -1.170 9.118 912 HD3 PRO 116 HD3 PRO 116 -16.666 -1.487 8.665 913 H GLN 117 H GLN 117 -13.838 1.139 6.863 914 HA GLN 117 HA GLN 117 -12.076 1.089 4.550 915 HB2 GLN 117 HB2 GLN 117 -13.612 3.601 5.351 916 HB3 GLN 117 HB3 GLN 117 -12.059 3.712 4.536 917 HG2 GLN 117 HG2 GLN 117 -14.513 2.337 3.410 918 HG3 GLN 117 HG3 GLN 117 -13.994 3.973 3.007 919 HE21 GLN 117 HE21 GLN 117 -12.112 4.250 1.736 920 HE22 GLN 117 HE22 GLN 117 -11.453 2.966 0.792 921 H ALA 118 H ALA 118 -10.295 2.966 5.096 922 HA ALA 118 HA ALA 118 -9.191 2.406 7.704 923 HB1 ALA 118 HB1 ALA 118 -7.307 3.840 6.971 924 HB2 ALA 118 HB2 ALA 118 -8.204 4.290 5.519 925 HB3 ALA 118 HB3 ALA 118 -7.697 2.619 5.759 Start of MODEL 19 1 H MET 1 H MET 1 0.346 0.043 0.211 2 HA MET 1 HA MET 1 3.039 1.007 -0.507 3 HB2 MET 1 HB2 MET 1 2.076 -0.592 1.911 4 HB3 MET 1 HB3 MET 1 3.757 -0.204 1.555 5 HG2 MET 1 HG2 MET 1 1.638 1.901 2.035 6 HG3 MET 1 HG3 MET 1 2.657 1.233 3.308 7 HE1 MET 1 HE1 MET 1 5.265 1.688 3.537 8 HE2 MET 1 HE2 MET 1 6.224 2.490 2.294 9 HE3 MET 1 HE3 MET 1 5.510 0.910 1.972 10 H ARG 2 H ARG 2 3.118 -0.138 -2.449 11 HA ARG 2 HA ARG 2 2.488 -2.958 -2.637 12 HB2 ARG 2 HB2 ARG 2 4.019 -1.242 -4.637 13 HB3 ARG 2 HB3 ARG 2 3.205 -2.778 -4.945 14 HG2 ARG 2 HG2 ARG 2 1.017 -1.682 -4.496 15 HG3 ARG 2 HG3 ARG 2 1.857 -0.149 -4.232 16 HD2 ARG 2 HD2 ARG 2 1.709 -1.741 -6.807 17 HD3 ARG 2 HD3 ARG 2 0.953 -0.180 -6.472 18 HE ARG 2 HE ARG 2 3.713 0.099 -6.110 19 HH11 ARG 2 HH11 ARG 2 1.454 -0.437 -8.739 20 HH12 ARG 2 HH12 ARG 2 2.520 0.212 -9.939 21 HH21 ARG 2 HH21 ARG 2 5.094 0.942 -7.680 22 HH22 ARG 2 HH22 ARG 2 4.577 1.019 -9.336 23 H LEU 3 H LEU 3 3.774 -4.283 -1.596 24 HA LEU 3 HA LEU 3 6.625 -4.429 -2.009 25 HB2 LEU 3 HB2 LEU 3 6.823 -4.559 0.693 26 HB3 LEU 3 HB3 LEU 3 7.039 -3.061 -0.189 27 HG LEU 3 HG LEU 3 4.652 -2.443 0.341 28 HD11 LEU 3 HD11 LEU 3 3.683 -4.633 0.661 29 HD12 LEU 3 HD12 LEU 3 3.438 -3.639 2.094 30 HD13 LEU 3 HD13 LEU 3 4.677 -4.898 2.096 31 HD21 LEU 3 HD21 LEU 3 6.545 -1.611 1.735 32 HD22 LEU 3 HD22 LEU 3 6.297 -2.968 2.838 33 HD23 LEU 3 HD23 LEU 3 5.033 -1.756 2.631 34 H LYS 4 H LYS 4 7.470 -6.390 -0.650 35 HA LYS 4 HA LYS 4 5.887 -8.688 -1.211 36 HB2 LYS 4 HB2 LYS 4 8.380 -8.404 0.516 37 HB3 LYS 4 HB3 LYS 4 7.659 -9.945 0.045 38 HG2 LYS 4 HG2 LYS 4 8.060 -9.330 -2.356 39 HG3 LYS 4 HG3 LYS 4 8.924 -7.887 -1.798 40 HD2 LYS 4 HD2 LYS 4 10.509 -9.347 -0.559 41 HD3 LYS 4 HD3 LYS 4 9.644 -10.771 -1.152 42 HE2 LYS 4 HE2 LYS 4 11.687 -10.368 -2.447 43 HE3 LYS 4 HE3 LYS 4 10.254 -10.183 -3.457 44 HZ1 LYS 4 HZ1 LYS 4 11.939 -8.456 -3.823 45 HZ2 LYS 4 HZ2 LYS 4 11.750 -7.919 -2.232 46 HZ3 LYS 4 HZ3 LYS 4 10.462 -7.808 -3.327 47 H SER 5 H SER 5 5.230 -10.303 0.377 48 HA SER 5 HA SER 5 3.543 -9.347 2.405 49 HB2 SER 5 HB2 SER 5 4.614 -12.160 1.950 50 HB3 SER 5 HB3 SER 5 3.176 -11.740 2.878 51 HG SER 5 HG SER 5 2.749 -12.419 0.697 52 H GLU 6 H GLU 6 6.899 -10.494 2.474 53 HA GLU 6 HA GLU 6 7.334 -10.711 5.244 54 HB2 GLU 6 HB2 GLU 6 8.992 -11.524 3.636 55 HB3 GLU 6 HB3 GLU 6 9.235 -9.904 2.994 56 HG2 GLU 6 HG2 GLU 6 10.338 -9.178 5.019 57 HG3 GLU 6 HG3 GLU 6 9.889 -10.654 5.864 58 H MET 7 H MET 7 7.838 -7.962 3.051 59 HA MET 7 HA MET 7 8.612 -6.153 5.139 60 HB2 MET 7 HB2 MET 7 9.515 -5.956 2.827 61 HB3 MET 7 HB3 MET 7 7.907 -5.547 2.238 62 HG2 MET 7 HG2 MET 7 9.392 -3.572 2.545 63 HG3 MET 7 HG3 MET 7 7.902 -3.487 3.483 64 HE1 MET 7 HE1 MET 7 9.946 -1.764 6.197 65 HE2 MET 7 HE2 MET 7 8.365 -1.932 5.434 66 HE3 MET 7 HE3 MET 7 9.753 -1.395 4.483 67 H PHE 8 H PHE 8 5.559 -7.061 3.677 68 HA PHE 8 HA PHE 8 4.031 -4.789 4.434 69 HB2 PHE 8 HB2 PHE 8 3.216 -6.601 2.826 70 HB3 PHE 8 HB3 PHE 8 2.957 -7.646 4.216 71 HD1 PHE 8 HD2 PHE 8 1.211 -6.994 5.954 72 HD2 PHE 8 HD1 PHE 8 1.627 -4.840 2.278 73 HE1 PHE 8 HE2 PHE 8 -0.974 -5.949 6.315 74 HE2 PHE 8 HE1 PHE 8 -0.566 -3.793 2.652 75 HZ PHE 8 HZ PHE 8 -1.873 -4.341 4.666 76 H VAL 9 H VAL 9 4.771 -7.872 6.025 77 HA VAL 9 HA VAL 9 3.422 -7.491 8.463 78 HB VAL 9 HB VAL 9 5.942 -9.056 7.784 79 HG11 VAL 9 HG11 VAL 9 4.428 -9.086 10.410 80 HG12 VAL 9 HG12 VAL 9 6.092 -8.557 10.159 81 HG13 VAL 9 HG13 VAL 9 5.666 -10.254 9.942 82 HG21 VAL 9 HG21 VAL 9 3.868 -9.843 6.725 83 HG22 VAL 9 HG22 VAL 9 3.089 -9.952 8.305 84 HG23 VAL 9 HG23 VAL 9 4.450 -11.012 7.914 85 H SER 10 H SER 10 6.794 -6.775 7.572 86 HA SER 10 HA SER 10 7.684 -5.674 9.987 87 HB2 SER 10 HB2 SER 10 8.619 -4.947 7.175 88 HB3 SER 10 HB3 SER 10 9.539 -4.743 8.670 89 HG SER 10 HG SER 10 8.643 -7.292 8.379 90 H ALA 11 H ALA 11 6.037 -4.192 7.254 91 HA ALA 11 HA ALA 11 6.179 -1.483 8.157 92 HB1 ALA 11 HB1 ALA 11 5.926 -2.041 5.769 93 HB2 ALA 11 HB2 ALA 11 4.602 -1.015 6.322 94 HB3 ALA 11 HB3 ALA 11 4.341 -2.746 6.091 95 H LEU 12 H LEU 12 3.835 -4.106 8.454 96 HA LEU 12 HA LEU 12 1.588 -2.668 9.388 97 HB2 LEU 12 HB2 LEU 12 1.819 -5.105 8.452 98 HB3 LEU 12 HB3 LEU 12 2.160 -5.556 10.107 99 HG LEU 12 HG LEU 12 -0.437 -4.244 9.185 100 HD11 LEU 12 HD11 LEU 12 0.104 -7.179 9.726 101 HD12 LEU 12 HD12 LEU 12 -0.176 -6.445 8.145 102 HD13 LEU 12 HD13 LEU 12 -1.467 -6.461 9.344 103 HD21 LEU 12 HD21 LEU 12 -0.015 -3.880 11.587 104 HD22 LEU 12 HD22 LEU 12 0.189 -5.616 11.825 105 HD23 LEU 12 HD23 LEU 12 -1.380 -4.967 11.337 106 H ILE 13 H ILE 13 4.186 -4.363 10.994 107 HA ILE 13 HA ILE 13 3.483 -3.990 13.679 108 HB ILE 13 HB ILE 13 6.178 -4.383 12.303 109 HG12 ILE 13 HG12 ILE 13 4.515 -6.394 13.887 110 HG13 ILE 13 HG13 ILE 13 4.361 -6.193 12.148 111 HG21 ILE 13 HG21 ILE 13 7.121 -5.040 14.496 112 HG22 ILE 13 HG22 ILE 13 5.626 -4.540 15.289 113 HG23 ILE 13 HG23 ILE 13 6.636 -3.342 14.476 114 HD11 ILE 13 HD11 ILE 13 5.717 -8.094 12.698 115 HD12 ILE 13 HD12 ILE 13 6.836 -7.079 13.612 116 HD13 ILE 13 HD13 ILE 13 6.676 -6.872 11.863 117 H ARG 14 H ARG 14 5.400 -1.978 11.467 118 HA ARG 14 HA ARG 14 6.044 0.071 13.364 119 HB2 ARG 14 HB2 ARG 14 6.247 -0.223 10.371 120 HB3 ARG 14 HB3 ARG 14 6.433 1.377 11.060 121 HG2 ARG 14 HG2 ARG 14 8.578 0.100 10.606 122 HG3 ARG 14 HG3 ARG 14 8.418 0.797 12.215 123 HD2 ARG 14 HD2 ARG 14 8.086 -1.316 13.224 124 HD3 ARG 14 HD3 ARG 14 7.694 -2.090 11.692 125 HE ARG 14 HE ARG 14 10.247 -1.288 11.307 126 HH11 ARG 14 HH11 ARG 14 8.790 -3.139 13.915 127 HH12 ARG 14 HH12 ARG 14 10.198 -4.114 14.157 128 HH21 ARG 14 HH21 ARG 14 12.067 -2.577 11.635 129 HH22 ARG 14 HH22 ARG 14 12.052 -3.805 12.861 130 H ARG 15 H ARG 15 3.267 -0.497 11.259 131 HA ARG 15 HA ARG 15 2.089 2.092 11.348 132 HB2 ARG 15 HB2 ARG 15 0.747 -0.625 10.996 133 HB3 ARG 15 HB3 ARG 15 -0.052 0.922 10.741 134 HG2 ARG 15 HG2 ARG 15 1.465 1.401 8.859 135 HG3 ARG 15 HG3 ARG 15 2.287 -0.130 9.125 136 HD2 ARG 15 HD2 ARG 15 0.113 -1.323 8.690 137 HD3 ARG 15 HD3 ARG 15 -0.609 0.239 8.285 138 HE ARG 15 HE ARG 15 1.717 -0.189 6.719 139 HH11 ARG 15 HH11 ARG 15 -1.610 -1.288 6.952 140 HH12 ARG 15 HH12 ARG 15 -1.719 -1.710 5.274 141 HH21 ARG 15 HH21 ARG 15 1.563 -0.732 4.514 142 HH22 ARG 15 HH22 ARG 15 0.086 -1.391 3.878 143 H VAL 16 H VAL 16 1.786 -0.788 13.450 144 HA VAL 16 HA VAL 16 -0.361 0.306 15.007 145 HB VAL 16 HB VAL 16 -0.282 -1.601 16.426 146 HG11 VAL 16 HG11 VAL 16 0.506 -2.571 13.658 147 HG12 VAL 16 HG12 VAL 16 -1.106 -2.069 14.153 148 HG13 VAL 16 HG13 VAL 16 -0.373 -3.497 14.879 149 HG21 VAL 16 HG21 VAL 16 1.515 -3.233 16.534 150 HG22 VAL 16 HG22 VAL 16 2.141 -1.629 16.918 151 HG23 VAL 16 HG23 VAL 16 2.446 -2.336 15.331 152 H PHE 17 H PHE 17 3.174 0.116 15.466 153 HA PHE 17 HA PHE 17 3.172 1.271 18.082 154 HB2 PHE 17 HB2 PHE 17 5.352 0.795 16.025 155 HB3 PHE 17 HB3 PHE 17 5.689 1.725 17.481 156 HD1 PHE 17 HD2 PHE 17 5.519 0.637 19.730 157 HD2 PHE 17 HD1 PHE 17 5.126 -1.640 16.141 158 HE1 PHE 17 HE2 PHE 17 5.898 -1.438 20.991 159 HE2 PHE 17 HE1 PHE 17 5.491 -3.712 17.410 160 HZ PHE 17 HZ PHE 17 5.883 -3.615 19.836 161 H ALA 18 H ALA 18 3.188 2.612 14.821 162 HA ALA 18 HA ALA 18 3.606 5.347 15.478 163 HB1 ALA 18 HB1 ALA 18 3.689 4.510 13.157 164 HB2 ALA 18 HB2 ALA 18 2.538 5.840 13.308 165 HB3 ALA 18 HB3 ALA 18 1.957 4.175 13.207 166 H ALA 19 H ALA 19 0.783 3.247 15.618 167 HA ALA 19 HA ALA 19 -1.080 5.354 16.401 168 HB1 ALA 19 HB1 ALA 19 -1.843 3.490 14.995 169 HB2 ALA 19 HB2 ALA 19 -2.731 3.527 16.520 170 HB3 ALA 19 HB3 ALA 19 -1.446 2.338 16.271 171 H GLY 20 H GLY 20 1.149 3.254 17.998 172 HA2 GLY 20 HA2 GLY 20 1.723 3.750 20.306 173 HA3 GLY 20 HA3 GLY 20 0.018 3.953 20.666 174 H GLY 21 H GLY 21 -0.263 1.413 18.808 175 HA2 GLY 21 HA2 GLY 21 -0.504 -0.473 20.971 176 HA3 GLY 21 HA3 GLY 21 -0.874 -0.750 19.279 177 H PHE 22 H PHE 22 0.081 -2.868 20.123 178 HA PHE 22 HA PHE 22 3.050 -2.990 19.947 179 HB2 PHE 22 HB2 PHE 22 2.307 -3.680 22.169 180 HB3 PHE 22 HB3 PHE 22 1.078 -4.739 21.491 181 HD1 PHE 22 HD1 PHE 22 4.818 -4.261 21.485 182 HD2 PHE 22 HD2 PHE 22 1.572 -7.049 21.329 183 HE1 PHE 22 HE1 PHE 22 6.414 -6.130 21.545 184 HE2 PHE 22 HE2 PHE 22 3.180 -8.911 21.398 185 HZ PHE 22 HZ PHE 22 5.599 -8.453 21.504 186 H ALA 23 H ALA 23 3.934 -4.846 18.816 187 HA ALA 23 HA ALA 23 2.213 -6.717 17.456 188 HB1 ALA 23 HB1 ALA 23 3.062 -6.226 15.177 189 HB2 ALA 23 HB2 ALA 23 3.872 -4.786 15.808 190 HB3 ALA 23 HB3 ALA 23 2.114 -4.898 15.844 191 H ALA 24 H ALA 24 3.387 -8.443 16.401 192 HA ALA 24 HA ALA 24 6.231 -8.703 16.552 193 HB1 ALA 24 HB1 ALA 24 6.364 -10.446 18.289 194 HB2 ALA 24 HB2 ALA 24 4.638 -10.266 18.626 195 HB3 ALA 24 HB3 ALA 24 5.747 -8.932 18.960 196 H VAL 25 H VAL 25 6.693 -9.982 14.873 197 HA VAL 25 HA VAL 25 4.706 -11.795 13.751 198 HB VAL 25 HB VAL 25 5.810 -10.450 12.121 199 HG11 VAL 25 HG11 VAL 25 8.496 -11.451 13.116 200 HG12 VAL 25 HG12 VAL 25 7.861 -9.811 13.269 201 HG13 VAL 25 HG13 VAL 25 8.253 -10.459 11.673 202 HG21 VAL 25 HG21 VAL 25 6.732 -12.126 10.559 203 HG22 VAL 25 HG22 VAL 25 5.309 -12.753 11.395 204 HG23 VAL 25 HG23 VAL 25 6.922 -13.272 11.889 205 H GLU 26 H GLU 26 4.511 -13.595 14.854 206 HA GLU 26 HA GLU 26 6.597 -15.006 16.208 207 HB2 GLU 26 HB2 GLU 26 3.703 -15.769 15.619 208 HB3 GLU 26 HB3 GLU 26 4.778 -16.672 16.686 209 HG2 GLU 26 HG2 GLU 26 3.850 -13.808 17.093 210 HG3 GLU 26 HG3 GLU 26 3.253 -15.226 17.955 211 H LYS 27 H LYS 27 4.457 -16.004 13.485 212 HA LYS 27 HA LYS 27 6.407 -18.087 12.742 213 HB2 LYS 27 HB2 LYS 27 3.993 -18.741 12.948 214 HB3 LYS 27 HB3 LYS 27 3.599 -17.611 11.650 215 HG2 LYS 27 HG2 LYS 27 5.092 -18.895 10.126 216 HG3 LYS 27 HG3 LYS 27 5.362 -20.065 11.413 217 HD2 LYS 27 HD2 LYS 27 2.917 -20.600 11.387 218 HD3 LYS 27 HD3 LYS 27 2.695 -19.451 10.055 219 HE2 LYS 27 HE2 LYS 27 4.211 -22.076 10.047 220 HE3 LYS 27 HE3 LYS 27 2.887 -21.566 8.994 221 HZ1 LYS 27 HZ1 LYS 27 4.383 -19.929 7.990 222 HZ2 LYS 27 HZ2 LYS 27 5.006 -21.491 7.841 223 HZ3 LYS 27 HZ3 LYS 27 5.649 -20.439 8.992 224 H LYS 28 H LYS 28 7.290 -18.226 10.711 225 HA LYS 28 HA LYS 28 7.008 -15.958 8.838 226 HB2 LYS 28 HB2 LYS 28 9.169 -15.827 10.027 227 HB3 LYS 28 HB3 LYS 28 9.539 -17.496 9.603 228 HG2 LYS 28 HG2 LYS 28 9.604 -16.881 7.217 229 HG3 LYS 28 HG3 LYS 28 9.207 -15.215 7.637 230 HD2 LYS 28 HD2 LYS 28 11.341 -15.063 8.922 231 HD3 LYS 28 HD3 LYS 28 11.734 -16.713 8.416 232 HE2 LYS 28 HE2 LYS 28 11.346 -14.320 6.580 233 HE3 LYS 28 HE3 LYS 28 12.886 -15.075 6.996 234 HZ1 LYS 28 HZ1 LYS 28 12.107 -17.113 5.923 235 HZ2 LYS 28 HZ2 LYS 28 12.138 -15.818 4.843 236 HZ3 LYS 28 HZ3 LYS 28 10.664 -16.352 5.478 237 H GLY 29 H GLY 29 6.908 -16.506 6.682 238 HA2 GLY 29 HA2 GLY 29 7.539 -19.259 5.793 239 HA3 GLY 29 HA3 GLY 29 6.035 -18.487 5.302 240 H ALA 30 H ALA 30 6.186 -17.886 3.228 241 HA ALA 30 HA ALA 30 8.746 -17.315 1.958 242 HB1 ALA 30 HB1 ALA 30 7.099 -18.751 0.821 243 HB2 ALA 30 HB2 ALA 30 7.457 -17.320 -0.147 244 HB3 ALA 30 HB3 ALA 30 5.947 -17.414 0.767 245 H GLU 31 H GLU 31 9.276 -15.381 0.844 246 HA GLU 31 HA GLU 31 8.738 -13.026 2.305 247 HB2 GLU 31 HB2 GLU 31 10.057 -13.375 -0.410 248 HB3 GLU 31 HB3 GLU 31 10.060 -11.868 0.502 249 HG2 GLU 31 HG2 GLU 31 11.392 -12.847 2.252 250 HG3 GLU 31 HG3 GLU 31 11.259 -14.454 1.530 251 H ALA 32 H ALA 32 8.023 -13.569 -1.192 252 HA ALA 32 HA ALA 32 5.986 -11.447 -1.110 253 HB1 ALA 32 HB1 ALA 32 7.668 -11.370 -2.913 254 HB2 ALA 32 HB2 ALA 32 6.038 -11.546 -3.563 255 HB3 ALA 32 HB3 ALA 32 7.120 -12.940 -3.501 256 H ALA 33 H ALA 33 6.310 -14.903 -1.856 257 HA ALA 33 HA ALA 33 3.593 -15.212 -2.811 258 HB1 ALA 33 HB1 ALA 33 5.472 -16.461 -3.817 259 HB2 ALA 33 HB2 ALA 33 4.234 -17.553 -3.195 260 HB3 ALA 33 HB3 ALA 33 5.733 -17.309 -2.291 261 H GLY 34 H GLY 34 4.740 -14.945 0.297 262 HA2 GLY 34 HA2 GLY 34 3.366 -17.191 1.544 263 HA3 GLY 34 HA3 GLY 34 4.260 -15.910 2.350 264 H ALA 35 H ALA 35 1.452 -17.124 2.697 265 HA ALA 35 HA ALA 35 -0.326 -14.843 2.479 266 HB1 ALA 35 HB1 ALA 35 -1.884 -16.236 3.817 267 HB2 ALA 35 HB2 ALA 35 -0.602 -17.423 4.076 268 HB3 ALA 35 HB3 ALA 35 -1.224 -17.137 2.451 269 H ILE 36 H ILE 36 -1.283 -13.802 4.487 270 HA ILE 36 HA ILE 36 0.571 -13.707 6.806 271 HB ILE 36 HB ILE 36 -0.786 -11.228 5.658 272 HG12 ILE 36 HG12 ILE 36 0.954 -11.934 4.051 273 HG13 ILE 36 HG13 ILE 36 1.406 -10.435 4.853 274 HG21 ILE 36 HG21 ILE 36 1.321 -11.518 7.834 275 HG22 ILE 36 HG22 ILE 36 -0.378 -11.099 8.063 276 HG23 ILE 36 HG23 ILE 36 0.696 -9.983 7.220 277 HD11 ILE 36 HD11 ILE 36 2.520 -13.187 5.328 278 HD12 ILE 36 HD12 ILE 36 2.851 -11.812 6.377 279 HD13 ILE 36 HD13 ILE 36 3.339 -11.764 4.689 280 H PHE 37 H PHE 37 -0.619 -14.391 8.527 281 HA PHE 37 HA PHE 37 -3.435 -13.532 8.765 282 HB2 PHE 37 HB2 PHE 37 -2.082 -16.103 9.709 283 HB3 PHE 37 HB3 PHE 37 -3.664 -15.586 10.297 284 HD1 PHE 37 HD1 PHE 37 -1.807 -16.814 7.349 285 HD2 PHE 37 HD2 PHE 37 -5.626 -15.609 8.847 286 HE1 PHE 37 HE1 PHE 37 -2.882 -17.700 5.326 287 HE2 PHE 37 HE2 PHE 37 -6.694 -16.501 6.821 288 HZ PHE 37 HZ PHE 37 -5.327 -17.545 5.058 289 H VAL 38 H VAL 38 -3.703 -12.027 10.185 290 HA VAL 38 HA VAL 38 -1.807 -11.587 12.416 291 HB VAL 38 HB VAL 38 -3.494 -9.497 10.938 292 HG11 VAL 38 HG11 VAL 38 -1.311 -9.108 13.025 293 HG12 VAL 38 HG12 VAL 38 -3.040 -8.856 13.282 294 HG13 VAL 38 HG13 VAL 38 -2.154 -7.814 12.166 295 HG21 VAL 38 HG21 VAL 38 -0.511 -10.021 10.709 296 HG22 VAL 38 HG22 VAL 38 -1.382 -8.686 9.955 297 HG23 VAL 38 HG23 VAL 38 -1.719 -10.346 9.462 298 H ARG 39 H ARG 39 -2.705 -11.427 14.480 299 HA ARG 39 HA ARG 39 -5.652 -11.246 14.668 300 HB2 ARG 39 HB2 ARG 39 -5.607 -12.283 16.868 301 HB3 ARG 39 HB3 ARG 39 -4.839 -13.339 15.699 302 HG2 ARG 39 HG2 ARG 39 -3.228 -11.577 17.575 303 HG3 ARG 39 HG3 ARG 39 -3.786 -13.185 18.037 304 HD2 ARG 39 HD2 ARG 39 -1.909 -12.482 15.760 305 HD3 ARG 39 HD3 ARG 39 -1.486 -13.297 17.269 306 HE ARG 39 HE ARG 39 -2.908 -15.168 16.525 307 HH11 ARG 39 HH11 ARG 39 -1.561 -13.017 14.114 308 HH12 ARG 39 HH12 ARG 39 -1.755 -14.162 12.835 309 HH21 ARG 39 HH21 ARG 39 -3.114 -16.640 14.838 310 HH22 ARG 39 HH22 ARG 39 -2.626 -16.193 13.237 311 H GLN 40 H GLN 40 -6.377 -9.325 15.289 312 HA GLN 40 HA GLN 40 -4.839 -7.454 16.864 313 HB2 GLN 40 HB2 GLN 40 -6.293 -6.269 15.483 314 HB3 GLN 40 HB3 GLN 40 -7.582 -7.454 15.621 315 HG2 GLN 40 HG2 GLN 40 -8.330 -6.592 17.688 316 HG3 GLN 40 HG3 GLN 40 -6.832 -5.707 17.973 317 HE21 GLN 40 HE21 GLN 40 -6.575 -3.740 17.097 318 HE22 GLN 40 HE22 GLN 40 -7.820 -2.848 16.301 319 H ARG 41 H ARG 41 -4.964 -7.198 19.007 320 HA ARG 41 HA ARG 41 -6.647 -9.022 20.586 321 HB2 ARG 41 HB2 ARG 41 -4.148 -9.433 20.646 322 HB3 ARG 41 HB3 ARG 41 -3.956 -7.835 21.367 323 HG2 ARG 41 HG2 ARG 41 -5.227 -8.527 23.341 324 HG3 ARG 41 HG3 ARG 41 -5.630 -10.071 22.584 325 HD2 ARG 41 HD2 ARG 41 -3.119 -10.557 22.509 326 HD3 ARG 41 HD3 ARG 41 -2.900 -9.136 23.533 327 HE ARG 41 HE ARG 41 -3.858 -10.268 25.323 328 HH11 ARG 41 HH11 ARG 41 -4.039 -12.304 22.446 329 HH12 ARG 41 HH12 ARG 41 -4.385 -13.740 23.353 330 HH21 ARG 41 HH21 ARG 41 -4.319 -12.161 26.477 331 HH22 ARG 41 HH22 ARG 41 -4.553 -13.658 25.627 332 H LEU 42 H LEU 42 -8.110 -8.015 21.727 333 HA LEU 42 HA LEU 42 -8.184 -5.099 21.854 334 HB2 LEU 42 HB2 LEU 42 -10.312 -7.192 22.478 335 HB3 LEU 42 HB3 LEU 42 -10.573 -5.450 22.484 336 HG LEU 42 HG LEU 42 -9.759 -7.030 20.001 337 HD11 LEU 42 HD11 LEU 42 -12.077 -6.790 19.246 338 HD12 LEU 42 HD12 LEU 42 -12.523 -6.062 20.792 339 HD13 LEU 42 HD13 LEU 42 -11.980 -7.742 20.726 340 HD21 LEU 42 HD21 LEU 42 -10.744 -4.168 20.300 341 HD22 LEU 42 HD22 LEU 42 -10.411 -4.991 18.773 342 HD23 LEU 42 HD23 LEU 42 -9.098 -4.669 19.901 343 H ARG 43 H ARG 43 -8.687 -4.024 23.738 344 HA ARG 43 HA ARG 43 -7.576 -4.584 26.212 345 HB2 ARG 43 HB2 ARG 43 -9.116 -2.749 27.010 346 HB3 ARG 43 HB3 ARG 43 -8.262 -2.351 25.520 347 HG2 ARG 43 HG2 ARG 43 -10.290 -2.988 24.211 348 HG3 ARG 43 HG3 ARG 43 -11.149 -3.295 25.720 349 HD2 ARG 43 HD2 ARG 43 -10.940 -0.915 26.322 350 HD3 ARG 43 HD3 ARG 43 -10.035 -0.613 24.829 351 HE ARG 43 HE ARG 43 -12.652 -1.834 24.474 352 HH11 ARG 43 HH11 ARG 43 -10.883 1.192 24.544 353 HH12 ARG 43 HH12 ARG 43 -12.099 2.056 23.663 354 HH21 ARG 43 HH21 ARG 43 -14.226 -0.690 23.319 355 HH22 ARG 43 HH22 ARG 43 -13.986 0.994 22.979 356 H ASP 44 H ASP 44 -10.690 -5.537 24.908 357 HA ASP 44 HA ASP 44 -12.086 -6.235 27.271 358 HB2 ASP 44 HB2 ASP 44 -12.478 -7.332 24.442 359 HB3 ASP 44 HB3 ASP 44 -13.659 -7.395 25.751 360 H GLY 45 H GLY 45 -9.680 -7.899 25.407 361 HA2 GLY 45 HA2 GLY 45 -8.583 -9.894 26.142 362 HA3 GLY 45 HA3 GLY 45 -10.068 -10.431 26.911 363 H ARG 46 H ARG 46 -11.071 -9.139 24.096 364 HA ARG 46 HA ARG 46 -11.304 -11.741 22.778 365 HB2 ARG 46 HB2 ARG 46 -12.555 -9.063 22.021 366 HB3 ARG 46 HB3 ARG 46 -12.902 -10.611 21.264 367 HG2 ARG 46 HG2 ARG 46 -13.584 -9.778 24.104 368 HG3 ARG 46 HG3 ARG 46 -14.706 -10.070 22.768 369 HD2 ARG 46 HD2 ARG 46 -13.956 -12.455 22.724 370 HD3 ARG 46 HD3 ARG 46 -12.945 -12.129 24.145 371 HE ARG 46 HE ARG 46 -15.737 -11.448 24.489 372 HH11 ARG 46 HH11 ARG 46 -13.360 -13.999 24.867 373 HH12 ARG 46 HH12 ARG 46 -14.355 -14.918 25.946 374 HH21 ARG 46 HH21 ARG 46 -17.012 -12.658 25.914 375 HH22 ARG 46 HH22 ARG 46 -16.404 -14.152 26.551 376 H GLU 47 H GLU 47 -11.042 -11.730 20.365 377 HA GLU 47 HA GLU 47 -8.867 -10.058 19.388 378 HB2 GLU 47 HB2 GLU 47 -8.660 -13.104 19.584 379 HB3 GLU 47 HB3 GLU 47 -7.599 -12.111 18.584 380 HG2 GLU 47 HG2 GLU 47 -6.895 -10.874 20.645 381 HG3 GLU 47 HG3 GLU 47 -7.853 -11.994 21.606 382 H ASN 48 H ASN 48 -8.466 -10.395 17.082 383 HA ASN 48 HA ASN 48 -10.813 -11.312 15.531 384 HB2 ASN 48 HB2 ASN 48 -9.461 -8.615 15.004 385 HB3 ASN 48 HB3 ASN 48 -10.937 -9.237 14.277 386 HD21 ASN 48 HD21 ASN 48 -9.536 -7.802 17.112 387 HD22 ASN 48 HD22 ASN 48 -11.002 -7.266 17.829 388 H LEU 49 H LEU 49 -10.124 -12.398 13.683 389 HA LEU 49 HA LEU 49 -7.222 -12.463 13.142 390 HB2 LEU 49 HB2 LEU 49 -9.048 -14.550 13.437 391 HB3 LEU 49 HB3 LEU 49 -8.918 -14.435 11.701 392 HG LEU 49 HG LEU 49 -6.646 -14.928 13.644 393 HD11 LEU 49 HD11 LEU 49 -7.958 -16.771 11.654 394 HD12 LEU 49 HD12 LEU 49 -8.036 -16.874 13.410 395 HD13 LEU 49 HD13 LEU 49 -6.506 -17.159 12.582 396 HD21 LEU 49 HD21 LEU 49 -5.194 -15.314 11.680 397 HD22 LEU 49 HD22 LEU 49 -5.763 -13.645 11.769 398 HD23 LEU 49 HD23 LEU 49 -6.500 -14.767 10.619 399 H TYR 50 H TYR 50 -6.425 -12.048 11.141 400 HA TYR 50 HA TYR 50 -8.216 -11.038 9.037 401 HB2 TYR 50 HB2 TYR 50 -5.545 -9.752 9.783 402 HB3 TYR 50 HB3 TYR 50 -6.738 -9.151 8.628 403 HD1 TYR 50 HD1 TYR 50 -9.179 -8.759 9.678 404 HD2 TYR 50 HD2 TYR 50 -5.545 -8.767 11.923 405 HE1 TYR 50 HE1 TYR 50 -10.282 -7.499 11.465 406 HE2 TYR 50 HE2 TYR 50 -6.651 -7.494 13.695 407 HH TYR 50 HH TYR 50 -8.597 -5.967 13.942 408 H GLY 51 H GLY 51 -7.711 -11.784 7.045 409 HA2 GLY 51 HA2 GLY 51 -5.155 -13.259 6.639 410 HA3 GLY 51 HA3 GLY 51 -6.701 -13.794 5.983 411 HA PRO 52 HA PRO 52 -4.577 -10.692 3.060 412 HB2 PRO 52 HB2 PRO 52 -3.323 -12.302 1.272 413 HB3 PRO 52 HB3 PRO 52 -2.554 -11.840 2.797 414 HG2 PRO 52 HG2 PRO 52 -3.960 -14.410 2.082 415 HG3 PRO 52 HG3 PRO 52 -2.436 -14.181 2.968 416 HD2 PRO 52 HD2 PRO 52 -4.870 -14.644 4.198 417 HD3 PRO 52 HD3 PRO 52 -3.525 -13.779 4.973 418 H ALA 53 H ALA 53 -6.511 -10.045 2.200 419 HA ALA 53 HA ALA 53 -8.591 -11.749 1.383 420 HB1 ALA 53 HB1 ALA 53 -9.014 -9.464 2.162 421 HB2 ALA 53 HB2 ALA 53 -9.725 -9.704 0.567 422 HB3 ALA 53 HB3 ALA 53 -8.216 -8.799 0.738 423 HA PRO 54 HA PRO 54 -7.677 -12.748 -2.928 424 HB2 PRO 54 HB2 PRO 54 -10.625 -12.345 -3.416 425 HB3 PRO 54 HB3 PRO 54 -9.608 -13.752 -3.763 426 HG2 PRO 54 HG2 PRO 54 -11.323 -13.791 -1.712 427 HG3 PRO 54 HG3 PRO 54 -9.720 -14.544 -1.561 428 HD2 PRO 54 HD2 PRO 54 -10.673 -11.877 -0.518 429 HD3 PRO 54 HD3 PRO 54 -9.652 -13.100 0.274 430 H GLN 55 H GLN 55 -6.562 -11.063 -3.755 431 HA GLN 55 HA GLN 55 -7.329 -8.380 -3.959 432 HB2 GLN 55 HB2 GLN 55 -4.967 -9.172 -4.083 433 HB3 GLN 55 HB3 GLN 55 -5.295 -9.928 -5.634 434 HG2 GLN 55 HG2 GLN 55 -4.108 -7.915 -6.087 435 HG3 GLN 55 HG3 GLN 55 -5.778 -7.628 -6.564 436 HE21 GLN 55 HE21 GLN 55 -3.668 -5.718 -5.881 437 HE22 GLN 55 HE22 GLN 55 -4.277 -4.759 -4.579 438 H SER 56 H SER 56 -8.331 -7.186 -5.588 439 HA SER 56 HA SER 56 -9.791 -8.544 -7.673 440 HB2 SER 56 HB2 SER 56 -9.366 -5.555 -7.203 441 HB3 SER 56 HB3 SER 56 -10.548 -6.267 -8.306 442 HG SER 56 HG SER 56 -10.655 -5.936 -5.589 443 H PHE 57 H PHE 57 -7.956 -9.606 -8.659 444 HA PHE 57 HA PHE 57 -6.038 -7.904 -10.111 445 HB2 PHE 57 HB2 PHE 57 -4.614 -9.943 -10.308 446 HB3 PHE 57 HB3 PHE 57 -4.921 -9.481 -8.643 447 HD1 PHE 57 HD1 PHE 57 -5.845 -11.974 -11.282 448 HD2 PHE 57 HD2 PHE 57 -5.921 -11.019 -7.117 449 HE1 PHE 57 HE1 PHE 57 -6.547 -14.270 -10.764 450 HE2 PHE 57 HE2 PHE 57 -6.637 -13.313 -6.609 451 HZ PHE 57 HZ PHE 57 -6.947 -14.943 -8.429 452 H ALA 58 H ALA 58 -5.702 -8.089 -12.251 453 HA ALA 58 HA ALA 58 -7.388 -9.914 -13.868 454 HB1 ALA 58 HB1 ALA 58 -7.849 -7.540 -14.326 455 HB2 ALA 58 HB2 ALA 58 -7.056 -8.284 -15.713 456 HB3 ALA 58 HB3 ALA 58 -6.136 -7.235 -14.628 457 H ASP 59 H ASP 59 -6.181 -11.620 -14.432 458 HA ASP 59 HA ASP 59 -4.518 -12.991 -15.114 459 HB2 ASP 59 HB2 ASP 59 -4.531 -11.262 -17.000 460 HB3 ASP 59 HB3 ASP 59 -3.175 -10.474 -16.206 461 H ASP 60 H ASP 60 -4.477 -12.043 -12.489 462 HA ASP 60 HA ASP 60 -3.349 -11.601 -10.593 463 HB2 ASP 60 HB2 ASP 60 -1.719 -13.233 -9.927 464 HB3 ASP 60 HB3 ASP 60 -2.928 -14.023 -10.921 465 H GLU 61 H GLU 61 -2.659 -9.764 -12.735 466 HA GLU 61 HA GLU 61 0.070 -8.952 -12.440 467 HB2 GLU 61 HB2 GLU 61 -2.401 -7.505 -13.495 468 HB3 GLU 61 HB3 GLU 61 -0.781 -6.807 -13.528 469 HG2 GLU 61 HG2 GLU 61 -1.668 -9.341 -14.949 470 HG3 GLU 61 HG3 GLU 61 -1.354 -7.777 -15.703 471 H ASP 62 H ASP 62 -3.007 -7.781 -11.081 472 HA ASP 62 HA ASP 62 -1.997 -5.563 -9.654 473 HB2 ASP 62 HB2 ASP 62 -4.545 -7.147 -9.138 474 HB3 ASP 62 HB3 ASP 62 -4.193 -5.551 -8.469 475 H ILE 63 H ILE 63 -1.587 -8.840 -8.881 476 HA ILE 63 HA ILE 63 -1.483 -8.823 -6.051 477 HB ILE 63 HB ILE 63 0.289 -10.446 -7.951 478 HG12 ILE 63 HG12 ILE 63 -2.082 -10.779 -8.554 479 HG13 ILE 63 HG13 ILE 63 -1.428 -12.244 -7.833 480 HG21 ILE 63 HG21 ILE 63 0.408 -12.112 -6.123 481 HG22 ILE 63 HG22 ILE 63 -0.521 -11.035 -5.077 482 HG23 ILE 63 HG23 ILE 63 1.083 -10.556 -5.635 483 HD11 ILE 63 HD11 ILE 63 -3.219 -10.226 -6.500 484 HD12 ILE 63 HD12 ILE 63 -2.529 -11.652 -5.715 485 HD13 ILE 63 HD13 ILE 63 -3.653 -11.840 -7.059 486 H MET 64 H MET 64 0.848 -8.004 -8.559 487 HA MET 64 HA MET 64 2.958 -7.143 -6.680 488 HB2 MET 64 HB2 MET 64 2.982 -7.452 -9.721 489 HB3 MET 64 HB3 MET 64 4.388 -7.126 -8.713 490 HG2 MET 64 HG2 MET 64 4.482 -9.319 -7.922 491 HG3 MET 64 HG3 MET 64 2.777 -9.630 -8.252 492 HE1 MET 64 HE1 MET 64 1.774 -10.101 -10.640 493 HE2 MET 64 HE2 MET 64 2.721 -10.098 -12.129 494 HE3 MET 64 HE3 MET 64 2.429 -8.587 -11.269 495 H ARG 65 H ARG 65 0.978 -6.058 -9.386 496 HA ARG 65 HA ARG 65 2.137 -3.450 -9.678 497 HB2 ARG 65 HB2 ARG 65 -0.451 -4.544 -10.867 498 HB3 ARG 65 HB3 ARG 65 0.421 -3.114 -11.418 499 HG2 ARG 65 HG2 ARG 65 1.440 -5.976 -11.556 500 HG3 ARG 65 HG3 ARG 65 0.759 -5.060 -12.901 501 HD2 ARG 65 HD2 ARG 65 3.301 -4.321 -11.395 502 HD3 ARG 65 HD3 ARG 65 3.246 -5.155 -12.952 503 HE ARG 65 HE ARG 65 2.373 -2.372 -12.448 504 HH11 ARG 65 HH11 ARG 65 3.384 -4.820 -14.772 505 HH12 ARG 65 HH12 ARG 65 3.552 -3.677 -16.066 506 HH21 ARG 65 HH21 ARG 65 2.584 -0.915 -14.139 507 HH22 ARG 65 HH22 ARG 65 3.103 -1.461 -15.702 508 H ALA 66 H ALA 66 -0.117 -4.696 -7.485 509 HA ALA 66 HA ALA 66 -0.781 -2.013 -6.514 510 HB1 ALA 66 HB1 ALA 66 -3.174 -2.553 -6.235 511 HB2 ALA 66 HB2 ALA 66 -2.930 -4.116 -7.023 512 HB3 ALA 66 HB3 ALA 66 -2.713 -2.624 -7.938 513 H GLU 67 H GLU 67 -1.203 -1.967 -4.260 514 HA GLU 67 HA GLU 67 -0.163 -4.052 -2.617 515 HB2 GLU 67 HB2 GLU 67 -0.104 -1.727 -1.816 516 HB3 GLU 67 HB3 GLU 67 -1.862 -1.618 -1.888 517 HG2 GLU 67 HG2 GLU 67 -1.987 -3.412 -0.121 518 HG3 GLU 67 HG3 GLU 67 -0.228 -3.358 -0.007 519 H ARG 68 H ARG 68 -1.218 -5.851 -1.916 520 HA ARG 68 HA ARG 68 -4.048 -6.207 -2.453 521 HB2 ARG 68 HB2 ARG 68 -3.764 -8.510 -1.715 522 HB3 ARG 68 HB3 ARG 68 -2.516 -8.085 -2.880 523 HG2 ARG 68 HG2 ARG 68 -0.851 -7.911 -1.086 524 HG3 ARG 68 HG3 ARG 68 -2.096 -8.214 0.133 525 HD2 ARG 68 HD2 ARG 68 -1.120 -10.145 -2.006 526 HD3 ARG 68 HD3 ARG 68 -0.880 -10.277 -0.258 527 HE ARG 68 HE ARG 68 -3.587 -10.197 -0.516 528 HH11 ARG 68 HH11 ARG 68 -1.129 -12.308 -1.889 529 HH12 ARG 68 HH12 ARG 68 -2.223 -13.637 -2.091 530 HH21 ARG 68 HH21 ARG 68 -4.998 -11.926 -0.798 531 HH22 ARG 68 HH22 ARG 68 -4.417 -13.421 -1.454 532 H ARG 69 H ARG 69 -5.668 -6.241 -0.981 533 HA ARG 69 HA ARG 69 -5.140 -5.055 1.634 534 HB2 ARG 69 HB2 ARG 69 -6.838 -4.150 -0.042 535 HB3 ARG 69 HB3 ARG 69 -7.800 -5.595 0.249 536 HG2 ARG 69 HG2 ARG 69 -8.184 -4.959 2.548 537 HG3 ARG 69 HG3 ARG 69 -7.025 -3.632 2.426 538 HD2 ARG 69 HD2 ARG 69 -9.655 -3.821 0.910 539 HD3 ARG 69 HD3 ARG 69 -9.350 -2.825 2.340 540 HE ARG 69 HE ARG 69 -7.518 -2.303 0.181 541 HH11 ARG 69 HH11 ARG 69 -10.668 -1.443 1.492 542 HH12 ARG 69 HH12 ARG 69 -10.737 0.061 0.636 543 HH21 ARG 69 HH21 ARG 69 -7.628 -0.352 -0.943 544 HH22 ARG 69 HH22 ARG 69 -9.013 0.683 -0.759 545 H PHE 70 H PHE 70 -6.433 -5.901 3.506 546 HA PHE 70 HA PHE 70 -6.439 -8.854 3.572 547 HB2 PHE 70 HB2 PHE 70 -6.063 -6.722 5.701 548 HB3 PHE 70 HB3 PHE 70 -6.538 -8.358 6.151 549 HD1 PHE 70 HD1 PHE 70 -4.119 -7.195 3.526 550 HD2 PHE 70 HD2 PHE 70 -4.669 -9.275 7.223 551 HE1 PHE 70 HE1 PHE 70 -1.773 -7.901 3.482 552 HE2 PHE 70 HE2 PHE 70 -2.316 -9.966 7.172 553 HZ PHE 70 HZ PHE 70 -0.871 -9.282 5.302 554 H GLU 71 H GLU 71 -8.036 -9.723 5.231 555 HA GLU 71 HA GLU 71 -10.700 -8.456 5.090 556 HB2 GLU 71 HB2 GLU 71 -11.708 -10.670 4.582 557 HB3 GLU 71 HB3 GLU 71 -10.615 -10.165 3.298 558 HG2 GLU 71 HG2 GLU 71 -8.884 -11.684 4.106 559 HG3 GLU 71 HG3 GLU 71 -9.877 -12.135 5.491 560 H THR 72 H THR 72 -11.989 -8.906 6.915 561 HA THR 72 HA THR 72 -10.630 -9.861 9.284 562 HB THR 72 HB THR 72 -13.560 -9.042 8.984 563 HG1 THR 72 HG1 THR 72 -11.853 -7.201 10.092 564 HG21 THR 72 HG21 THR 72 -11.733 -9.085 11.422 565 HG22 THR 72 HG22 THR 72 -13.047 -10.224 11.110 566 HG23 THR 72 HG23 THR 72 -13.406 -8.520 11.394 567 H ARG 73 H ARG 73 -10.287 -12.055 9.174 568 HA ARG 73 HA ARG 73 -12.081 -14.022 8.152 569 HB2 ARG 73 HB2 ARG 73 -9.741 -14.353 10.100 570 HB3 ARG 73 HB3 ARG 73 -10.558 -15.674 9.270 571 HG2 ARG 73 HG2 ARG 73 -8.961 -13.466 7.923 572 HG3 ARG 73 HG3 ARG 73 -8.385 -15.107 8.242 573 HD2 ARG 73 HD2 ARG 73 -10.719 -14.354 6.442 574 HD3 ARG 73 HD3 ARG 73 -9.110 -14.836 5.898 575 HE ARG 73 HE ARG 73 -10.083 -16.902 7.497 576 HH11 ARG 73 HH11 ARG 73 -11.021 -15.391 4.460 577 HH12 ARG 73 HH12 ARG 73 -11.686 -16.854 3.817 578 HH21 ARG 73 HH21 ARG 73 -10.981 -18.797 6.626 579 HH22 ARG 73 HH22 ARG 73 -11.673 -18.768 5.038 580 H LEU 74 H LEU 74 -11.044 -13.314 11.503 581 HA LEU 74 HA LEU 74 -13.709 -14.160 12.534 582 HB2 LEU 74 HB2 LEU 74 -10.993 -14.398 13.908 583 HB3 LEU 74 HB3 LEU 74 -12.536 -14.926 14.568 584 HG LEU 74 HG LEU 74 -11.234 -16.133 12.088 585 HD11 LEU 74 HD11 LEU 74 -9.870 -16.596 14.062 586 HD12 LEU 74 HD12 LEU 74 -10.660 -18.059 13.484 587 HD13 LEU 74 HD13 LEU 74 -11.281 -17.232 14.917 588 HD21 LEU 74 HD21 LEU 74 -12.893 -17.933 12.346 589 HD22 LEU 74 HD22 LEU 74 -13.679 -16.376 12.096 590 HD23 LEU 74 HD23 LEU 74 -13.620 -17.084 13.714 591 H ALA 75 H ALA 75 -14.400 -12.971 14.479 592 HA ALA 75 HA ALA 75 -12.910 -10.629 15.311 593 HB1 ALA 75 HB1 ALA 75 -14.127 -9.780 13.330 594 HB2 ALA 75 HB2 ALA 75 -14.641 -8.988 14.818 595 HB3 ALA 75 HB3 ALA 75 -15.661 -10.232 14.081 596 H GLY 76 H GLY 76 -13.316 -10.063 17.383 597 HA2 GLY 76 HA2 GLY 76 -14.154 -10.079 19.519 598 HA3 GLY 76 HA3 GLY 76 -15.718 -10.484 18.838 599 H VAL 77 H VAL 77 -12.998 -12.504 18.237 600 HA VAL 77 HA VAL 77 -14.239 -14.739 19.690 601 HB VAL 77 HB VAL 77 -12.796 -16.201 18.297 602 HG11 VAL 77 HG11 VAL 77 -14.352 -14.183 16.634 603 HG12 VAL 77 HG12 VAL 77 -15.017 -15.615 17.425 604 HG13 VAL 77 HG13 VAL 77 -13.867 -15.796 16.099 605 HG21 VAL 77 HG21 VAL 77 -11.425 -15.282 16.446 606 HG22 VAL 77 HG22 VAL 77 -10.843 -14.719 18.014 607 HG23 VAL 77 HG23 VAL 77 -11.792 -13.641 16.988 608 H GLU 78 H GLU 78 -12.045 -16.391 20.116 609 HA GLU 78 HA GLU 78 -10.150 -14.802 21.763 610 HB2 GLU 78 HB2 GLU 78 -10.017 -16.713 23.316 611 HB3 GLU 78 HB3 GLU 78 -11.656 -16.073 23.216 612 HG2 GLU 78 HG2 GLU 78 -12.324 -17.918 21.758 613 HG3 GLU 78 HG3 GLU 78 -10.671 -18.545 21.755 614 H GLY 79 H GLY 79 -8.160 -16.237 22.288 615 HA2 GLY 79 HA2 GLY 79 -6.642 -16.487 19.945 616 HA3 GLY 79 HA3 GLY 79 -6.161 -17.034 21.543 617 H GLU 80 H GLU 80 -8.505 -18.902 21.659 618 HA GLU 80 HA GLU 80 -7.378 -21.251 20.572 619 HB2 GLU 80 HB2 GLU 80 -8.965 -21.310 22.456 620 HB3 GLU 80 HB3 GLU 80 -10.256 -20.697 21.426 621 HG2 GLU 80 HG2 GLU 80 -10.165 -22.759 20.068 622 HG3 GLU 80 HG3 GLU 80 -8.849 -23.371 21.065 623 H GLU 81 H GLU 81 -10.100 -19.226 19.493 624 HA GLU 81 HA GLU 81 -10.786 -20.640 17.144 625 HB2 GLU 81 HB2 GLU 81 -11.157 -17.683 17.787 626 HB3 GLU 81 HB3 GLU 81 -11.997 -18.559 16.507 627 HG2 GLU 81 HG2 GLU 81 -12.257 -19.031 19.498 628 HG3 GLU 81 HG3 GLU 81 -13.442 -18.245 18.453 629 H ILE 82 H ILE 82 -8.572 -17.987 17.781 630 HA ILE 82 HA ILE 82 -7.840 -17.282 15.173 631 HB ILE 82 HB ILE 82 -6.122 -17.156 17.701 632 HG12 ILE 82 HG12 ILE 82 -8.274 -15.937 18.002 633 HG13 ILE 82 HG13 ILE 82 -6.909 -14.832 17.987 634 HG21 ILE 82 HG21 ILE 82 -4.886 -15.345 16.562 635 HG22 ILE 82 HG22 ILE 82 -5.843 -15.608 15.104 636 HG23 ILE 82 HG23 ILE 82 -4.763 -16.873 15.690 637 HD11 ILE 82 HD11 ILE 82 -7.455 -14.203 15.688 638 HD12 ILE 82 HD12 ILE 82 -8.800 -13.924 16.792 639 HD13 ILE 82 HD13 ILE 82 -8.826 -15.317 15.710 640 H ALA 83 H ALA 83 -6.316 -19.563 17.452 641 HA ALA 83 HA ALA 83 -4.246 -20.473 15.693 642 HB1 ALA 83 HB1 ALA 83 -3.788 -22.137 17.446 643 HB2 ALA 83 HB2 ALA 83 -5.305 -21.718 18.250 644 HB3 ALA 83 HB3 ALA 83 -4.008 -20.528 18.137 645 H ALA 84 H ALA 84 -7.527 -21.464 16.313 646 HA ALA 84 HA ALA 84 -7.442 -24.113 15.293 647 HB1 ALA 84 HB1 ALA 84 -9.894 -23.974 15.244 648 HB2 ALA 84 HB2 ALA 84 -9.807 -22.226 15.494 649 HB3 ALA 84 HB3 ALA 84 -9.250 -23.326 16.755 650 H LEU 85 H LEU 85 -7.942 -20.954 13.746 651 HA LEU 85 HA LEU 85 -8.498 -22.112 11.151 652 HB2 LEU 85 HB2 LEU 85 -9.395 -19.876 11.722 653 HB3 LEU 85 HB3 LEU 85 -7.762 -19.254 11.858 654 HG LEU 85 HG LEU 85 -7.895 -20.457 9.268 655 HD11 LEU 85 HD11 LEU 85 -9.711 -19.355 8.141 656 HD12 LEU 85 HD12 LEU 85 -10.345 -18.777 9.687 657 HD13 LEU 85 HD13 LEU 85 -10.269 -20.511 9.347 658 HD21 LEU 85 HD21 LEU 85 -6.494 -18.594 9.753 659 HD22 LEU 85 HD22 LEU 85 -7.892 -17.536 10.026 660 HD23 LEU 85 HD23 LEU 85 -7.567 -18.180 8.415 661 H LEU 86 H LEU 86 -5.675 -20.707 12.820 662 HA LEU 86 HA LEU 86 -3.821 -20.539 10.776 663 HB2 LEU 86 HB2 LEU 86 -3.364 -21.428 13.645 664 HB3 LEU 86 HB3 LEU 86 -2.052 -21.099 12.522 665 HG LEU 86 HG LEU 86 -4.070 -19.090 13.585 666 HD11 LEU 86 HD11 LEU 86 -1.074 -19.353 14.024 667 HD12 LEU 86 HD12 LEU 86 -2.345 -19.686 15.206 668 HD13 LEU 86 HD13 LEU 86 -2.095 -18.044 14.625 669 HD21 LEU 86 HD21 LEU 86 -1.874 -18.669 11.524 670 HD22 LEU 86 HD22 LEU 86 -2.792 -17.383 12.312 671 HD23 LEU 86 HD23 LEU 86 -3.616 -18.529 11.260 672 H GLU 87 H GLU 87 -4.849 -23.437 12.530 673 HA GLU 87 HA GLU 87 -2.846 -25.182 11.447 674 HB2 GLU 87 HB2 GLU 87 -3.907 -26.939 12.629 675 HB3 GLU 87 HB3 GLU 87 -4.162 -25.521 13.624 676 HG2 GLU 87 HG2 GLU 87 -6.287 -26.325 13.746 677 HG3 GLU 87 HG3 GLU 87 -6.481 -25.462 12.237 678 H ARG 88 H ARG 88 -6.034 -24.122 10.450 679 HA ARG 88 HA ARG 88 -6.513 -26.145 8.485 680 HB2 ARG 88 HB2 ARG 88 -7.772 -23.385 8.849 681 HB3 ARG 88 HB3 ARG 88 -8.377 -24.626 7.748 682 HG2 ARG 88 HG2 ARG 88 -8.849 -26.108 9.659 683 HG3 ARG 88 HG3 ARG 88 -8.195 -24.899 10.767 684 HD2 ARG 88 HD2 ARG 88 -9.987 -23.325 10.099 685 HD3 ARG 88 HD3 ARG 88 -10.647 -24.546 9.006 686 HE ARG 88 HE ARG 88 -11.074 -25.944 10.985 687 HH11 ARG 88 HH11 ARG 88 -10.710 -22.482 11.513 688 HH12 ARG 88 HH12 ARG 88 -11.547 -22.511 13.029 689 HH21 ARG 88 HH21 ARG 88 -12.162 -25.952 12.971 690 HH22 ARG 88 HH22 ARG 88 -12.385 -24.469 13.843 691 H GLU 89 H GLU 89 -5.200 -22.864 8.482 692 HA GLU 89 HA GLU 89 -5.116 -22.573 5.617 693 HB2 GLU 89 HB2 GLU 89 -3.892 -20.859 7.820 694 HB3 GLU 89 HB3 GLU 89 -3.973 -20.416 6.112 695 HG2 GLU 89 HG2 GLU 89 -6.276 -20.796 8.035 696 HG3 GLU 89 HG3 GLU 89 -5.717 -19.288 7.320 697 H ARG 90 H ARG 90 -2.716 -23.163 8.178 698 HA ARG 90 HA ARG 90 -0.452 -23.219 6.447 699 HB2 ARG 90 HB2 ARG 90 0.865 -24.053 8.257 700 HB3 ARG 90 HB3 ARG 90 -0.286 -22.899 8.922 701 HG2 ARG 90 HG2 ARG 90 -1.708 -24.842 9.666 702 HG3 ARG 90 HG3 ARG 90 -0.414 -25.925 9.136 703 HD2 ARG 90 HD2 ARG 90 1.144 -24.827 10.715 704 HD3 ARG 90 HD3 ARG 90 -0.153 -23.742 11.239 705 HE ARG 90 HE ARG 90 -0.457 -26.660 11.536 706 HH11 ARG 90 HH11 ARG 90 -0.237 -23.514 13.083 707 HH12 ARG 90 HH12 ARG 90 -0.585 -24.139 14.660 708 HH21 ARG 90 HH21 ARG 90 -0.960 -27.451 13.582 709 HH22 ARG 90 HH22 ARG 90 -1.023 -26.371 14.936 710 H ARG 91 H ARG 91 -2.841 -25.616 7.238 711 HA ARG 91 HA ARG 91 -1.670 -27.977 6.335 712 HB2 ARG 91 HB2 ARG 91 -3.923 -27.748 7.415 713 HB3 ARG 91 HB3 ARG 91 -4.541 -27.048 5.924 714 HG2 ARG 91 HG2 ARG 91 -3.962 -29.231 4.771 715 HG3 ARG 91 HG3 ARG 91 -3.595 -29.896 6.366 716 HD2 ARG 91 HD2 ARG 91 -6.286 -28.823 5.430 717 HD3 ARG 91 HD3 ARG 91 -5.858 -30.520 5.670 718 HE ARG 91 HE ARG 91 -5.622 -28.790 8.007 719 HH11 ARG 91 HH11 ARG 91 -7.612 -31.144 6.327 720 HH12 ARG 91 HH12 ARG 91 -8.618 -31.448 7.705 721 HH21 ARG 91 HH21 ARG 91 -6.959 -29.201 9.795 722 HH22 ARG 91 HH22 ARG 91 -8.238 -30.361 9.662 723 H PHE 92 H PHE 92 -3.241 -25.384 4.486 724 HA PHE 92 HA PHE 92 -2.842 -26.692 1.907 725 HB2 PHE 92 HB2 PHE 92 -4.223 -24.109 2.756 726 HB3 PHE 92 HB3 PHE 92 -4.106 -24.633 1.086 727 HD1 PHE 92 HD1 PHE 92 -5.187 -26.829 0.393 728 HD2 PHE 92 HD2 PHE 92 -5.913 -25.025 4.195 729 HE1 PHE 92 HE1 PHE 92 -7.191 -28.221 0.677 730 HE2 PHE 92 HE2 PHE 92 -7.916 -26.420 4.474 731 HZ PHE 92 HZ PHE 92 -8.557 -28.022 2.714 732 H ASP 93 H ASP 93 -1.810 -23.737 3.558 733 HA ASP 93 HA ASP 93 0.580 -23.489 1.875 734 HB2 ASP 93 HB2 ASP 93 -1.018 -21.859 0.940 735 HB3 ASP 93 HB3 ASP 93 -1.334 -21.203 2.539 736 H SER 94 H SER 94 1.902 -24.177 3.513 737 HA SER 94 HA SER 94 1.713 -23.189 6.211 738 HB2 SER 94 HB2 SER 94 2.525 -25.510 5.630 739 HB3 SER 94 HB3 SER 94 3.993 -24.786 4.976 740 HG SER 94 HG SER 94 3.608 -25.497 7.423 741 H ASP 95 H ASP 95 2.838 -21.739 3.420 742 HA ASP 95 HA ASP 95 5.173 -20.391 4.519 743 HB2 ASP 95 HB2 ASP 95 3.635 -20.041 1.919 744 HB3 ASP 95 HB3 ASP 95 5.084 -19.122 2.326 745 H LEU 96 H LEU 96 2.192 -20.045 5.521 746 HA LEU 96 HA LEU 96 1.714 -17.239 5.271 747 HB2 LEU 96 HB2 LEU 96 -0.199 -17.558 6.587 748 HB3 LEU 96 HB3 LEU 96 -0.013 -19.072 5.735 749 HG LEU 96 HG LEU 96 1.243 -19.760 8.051 750 HD11 LEU 96 HD11 LEU 96 -0.811 -17.717 8.951 751 HD12 LEU 96 HD12 LEU 96 0.940 -17.594 9.147 752 HD13 LEU 96 HD13 LEU 96 0.049 -18.855 9.995 753 HD21 LEU 96 HD21 LEU 96 -0.795 -20.846 8.777 754 HD22 LEU 96 HD22 LEU 96 -0.649 -20.963 7.024 755 HD23 LEU 96 HD23 LEU 96 -1.770 -19.799 7.737 756 H TRP 97 H TRP 97 1.790 -15.689 7.005 757 HA TRP 97 HA TRP 97 3.940 -16.113 9.008 758 HB2 TRP 97 HB2 TRP 97 3.060 -13.539 7.616 759 HB3 TRP 97 HB3 TRP 97 4.271 -13.628 8.886 760 HD1 TRP 97 HD1 TRP 97 3.915 -15.578 5.496 761 HE1 TRP 97 HE1 TRP 97 6.155 -15.406 4.279 762 HE3 TRP 97 HE3 TRP 97 6.410 -12.637 8.827 763 HZ2 TRP 97 HZ2 TRP 97 8.654 -14.159 4.639 764 HZ3 TRP 97 HZ3 TRP 97 8.723 -11.970 8.321 765 HH2 TRP 97 HH2 TRP 97 9.825 -12.721 6.261 766 H VAL 98 H VAL 98 3.306 -15.929 11.092 767 HA VAL 98 HA VAL 98 0.598 -14.936 11.712 768 HB VAL 98 HB VAL 98 2.534 -16.649 13.323 769 HG11 VAL 98 HG11 VAL 98 1.398 -15.183 14.898 770 HG12 VAL 98 HG12 VAL 98 0.736 -16.814 15.042 771 HG13 VAL 98 HG13 VAL 98 -0.160 -15.568 14.167 772 HG21 VAL 98 HG21 VAL 98 -0.192 -17.254 12.110 773 HG22 VAL 98 HG22 VAL 98 0.726 -18.357 13.141 774 HG23 VAL 98 HG23 VAL 98 1.368 -17.888 11.567 775 H VAL 99 H VAL 99 0.478 -12.890 12.302 776 HA VAL 99 HA VAL 99 2.632 -11.664 13.952 777 HB VAL 99 HB VAL 99 0.733 -9.999 12.252 778 HG11 VAL 99 HG11 VAL 99 2.524 -8.308 12.323 779 HG12 VAL 99 HG12 VAL 99 3.533 -9.415 13.261 780 HG13 VAL 99 HG13 VAL 99 2.029 -8.798 13.950 781 HG21 VAL 99 HG21 VAL 99 2.355 -9.932 10.399 782 HG22 VAL 99 HG22 VAL 99 1.766 -11.576 10.659 783 HG23 VAL 99 HG23 VAL 99 3.370 -11.113 11.234 784 H GLU 100 H GLU 100 1.914 -11.213 15.987 785 HA GLU 100 HA GLU 100 -0.939 -10.776 16.518 786 HB2 GLU 100 HB2 GLU 100 -0.255 -10.702 18.904 787 HB3 GLU 100 HB3 GLU 100 0.242 -12.191 18.110 788 HG2 GLU 100 HG2 GLU 100 2.546 -11.308 17.902 789 HG3 GLU 100 HG3 GLU 100 2.043 -9.830 18.729 790 H ILE 101 H ILE 101 -1.758 -8.807 17.117 791 HA ILE 101 HA ILE 101 0.033 -6.529 17.554 792 HB ILE 101 HB ILE 101 -1.434 -4.998 16.233 793 HG12 ILE 101 HG12 ILE 101 -2.742 -7.509 15.092 794 HG13 ILE 101 HG13 ILE 101 -3.513 -6.422 16.232 795 HG21 ILE 101 HG21 ILE 101 -0.238 -7.230 14.543 796 HG22 ILE 101 HG22 ILE 101 0.623 -5.834 15.187 797 HG23 ILE 101 HG23 ILE 101 -0.629 -5.604 13.973 798 HD11 ILE 101 HD11 ILE 101 -3.380 -4.616 14.579 799 HD12 ILE 101 HD12 ILE 101 -4.298 -6.009 14.009 800 HD13 ILE 101 HD13 ILE 101 -2.653 -5.748 13.432 801 H GLU 102 H GLU 102 -0.587 -5.384 19.330 802 HA GLU 102 HA GLU 102 -3.158 -6.114 20.625 803 HB2 GLU 102 HB2 GLU 102 -0.814 -6.598 21.754 804 HB3 GLU 102 HB3 GLU 102 -0.816 -4.882 22.130 805 HG2 GLU 102 HG2 GLU 102 -2.863 -6.944 23.020 806 HG3 GLU 102 HG3 GLU 102 -1.609 -6.232 24.026 807 H THR 103 H THR 103 -4.556 -4.617 20.025 808 HA THR 103 HA THR 103 -4.383 -1.881 20.760 809 HB THR 103 HB THR 103 -2.946 -1.643 18.776 810 HG1 THR 103 HG1 THR 103 -4.159 0.138 18.897 811 HG21 THR 103 HG21 THR 103 -5.201 -2.778 17.101 812 HG22 THR 103 HG22 THR 103 -3.752 -3.678 17.537 813 HG23 THR 103 HG23 THR 103 -3.626 -2.238 16.527 814 H ASP 104 H ASP 104 -6.408 -0.775 20.332 815 HA ASP 104 HA ASP 104 -8.677 -2.627 20.185 816 HB2 ASP 104 HB2 ASP 104 -10.006 -0.836 21.142 817 HB3 ASP 104 HB3 ASP 104 -8.511 -0.951 22.061 818 H GLU 105 H GLU 105 -7.219 0.026 18.412 819 HA GLU 105 HA GLU 105 -9.428 0.132 16.458 820 HB2 GLU 105 HB2 GLU 105 -8.312 2.272 15.703 821 HB3 GLU 105 HB3 GLU 105 -8.932 2.302 17.345 822 HG2 GLU 105 HG2 GLU 105 -6.650 1.971 18.223 823 HG3 GLU 105 HG3 GLU 105 -6.020 1.940 16.573 824 H ILE 106 H ILE 106 -9.158 -1.267 14.822 825 HA ILE 106 HA ILE 106 -6.520 -2.097 13.894 826 HB ILE 106 HB ILE 106 -8.286 -3.805 14.121 827 HG12 ILE 106 HG12 ILE 106 -8.094 -4.864 11.830 828 HG13 ILE 106 HG13 ILE 106 -7.391 -3.362 11.235 829 HG21 ILE 106 HG21 ILE 106 -10.241 -3.914 12.614 830 HG22 ILE 106 HG22 ILE 106 -9.808 -2.338 11.946 831 HG23 ILE 106 HG23 ILE 106 -10.278 -2.475 13.640 832 HD11 ILE 106 HD11 ILE 106 -5.726 -5.063 11.722 833 HD12 ILE 106 HD12 ILE 106 -6.229 -5.096 13.411 834 HD13 ILE 106 HD13 ILE 106 -5.506 -3.636 12.728 835 H GLY 107 H GLY 107 -9.088 0.067 12.857 836 HA2 GLY 107 HA2 GLY 107 -8.585 -0.055 10.039 837 HA3 GLY 107 HA3 GLY 107 -9.647 1.066 10.870 838 H THR 108 H THR 108 -6.598 1.366 12.252 839 HA THR 108 HA THR 108 -5.839 3.596 10.446 840 HB THR 108 HB THR 108 -6.570 4.269 12.749 841 HG1 THR 108 HG1 THR 108 -4.780 5.307 11.411 842 HG21 THR 108 HG21 THR 108 -5.094 3.825 14.680 843 HG22 THR 108 HG22 THR 108 -4.080 2.787 13.679 844 HG23 THR 108 HG23 THR 108 -5.744 2.315 14.029 845 H LEU 109 H LEU 109 -4.925 0.505 11.402 846 HA LEU 109 HA LEU 109 -2.078 0.935 10.771 847 HB2 LEU 109 HB2 LEU 109 -1.561 -0.685 12.725 848 HB3 LEU 109 HB3 LEU 109 -1.926 0.984 13.093 849 HG LEU 109 HG LEU 109 -4.393 0.090 13.489 850 HD11 LEU 109 HD11 LEU 109 -4.545 -2.171 14.354 851 HD12 LEU 109 HD12 LEU 109 -2.855 -2.474 13.960 852 HD13 LEU 109 HD13 LEU 109 -4.028 -2.194 12.668 853 HD21 LEU 109 HD21 LEU 109 -2.192 -0.444 15.506 854 HD22 LEU 109 HD22 LEU 109 -3.911 -0.261 15.862 855 HD23 LEU 109 HD23 LEU 109 -2.996 1.102 15.227 856 H LEU 110 H LEU 110 -4.830 -0.734 10.076 857 HA LEU 110 HA LEU 110 -3.466 -2.315 8.129 858 HB2 LEU 110 HB2 LEU 110 -3.258 -3.893 10.010 859 HB3 LEU 110 HB3 LEU 110 -4.973 -3.760 10.346 860 HG LEU 110 HG LEU 110 -5.504 -4.888 8.208 861 HD11 LEU 110 HD11 LEU 110 -3.615 -4.164 6.856 862 HD12 LEU 110 HD12 LEU 110 -3.765 -5.918 6.828 863 HD13 LEU 110 HD13 LEU 110 -2.516 -5.158 7.816 864 HD21 LEU 110 HD21 LEU 110 -5.248 -6.254 10.247 865 HD22 LEU 110 HD22 LEU 110 -3.534 -6.485 9.882 866 HD23 LEU 110 HD23 LEU 110 -4.766 -7.147 8.803 867 H THR 111 H THR 111 -4.724 -2.379 6.381 868 HA THR 111 HA THR 111 -7.453 -1.330 6.525 869 HB THR 111 HB THR 111 -5.636 -1.745 4.110 870 HG1 THR 111 HG1 THR 111 -5.622 0.102 6.039 871 HG21 THR 111 HG21 THR 111 -7.237 -0.257 2.936 872 HG22 THR 111 HG22 THR 111 -8.272 -0.244 4.369 873 HG23 THR 111 HG23 THR 111 -8.018 -1.746 3.478 874 H LEU 112 H LEU 112 -9.224 -2.421 5.812 875 HA LEU 112 HA LEU 112 -8.985 -5.285 5.097 876 HB2 LEU 112 HB2 LEU 112 -10.854 -4.068 7.175 877 HB3 LEU 112 HB3 LEU 112 -10.807 -5.766 6.709 878 HG LEU 112 HG LEU 112 -8.390 -4.369 7.915 879 HD11 LEU 112 HD11 LEU 112 -10.155 -4.135 9.526 880 HD12 LEU 112 HD12 LEU 112 -8.963 -5.309 10.077 881 HD13 LEU 112 HD13 LEU 112 -10.513 -5.863 9.435 882 HD21 LEU 112 HD21 LEU 112 -9.093 -7.309 7.715 883 HD22 LEU 112 HD22 LEU 112 -7.634 -6.631 8.448 884 HD23 LEU 112 HD23 LEU 112 -7.916 -6.448 6.720 885 H VAL 113 H VAL 113 -10.648 -6.086 3.796 886 HA VAL 113 HA VAL 113 -12.225 -4.227 2.250 887 HB VAL 113 HB VAL 113 -13.096 -6.282 1.057 888 HG11 VAL 113 HG11 VAL 113 -10.976 -6.898 -0.053 889 HG12 VAL 113 HG12 VAL 113 -10.063 -6.152 1.262 890 HG13 VAL 113 HG13 VAL 113 -11.073 -5.153 0.215 891 HG21 VAL 113 HG21 VAL 113 -12.100 -8.499 1.521 892 HG22 VAL 113 HG22 VAL 113 -12.972 -7.904 2.937 893 HG23 VAL 113 HG23 VAL 113 -11.208 -7.825 2.889 894 H ASP 114 H ASP 114 -12.685 -6.244 5.012 895 HA ASP 114 HA ASP 114 -15.560 -6.485 4.885 896 HB2 ASP 114 HB2 ASP 114 -14.198 -8.276 5.889 897 HB3 ASP 114 HB3 ASP 114 -13.530 -7.153 7.067 898 H GLN 115 H GLN 115 -13.292 -4.855 7.140 899 HA GLN 115 HA GLN 115 -15.282 -3.522 8.657 900 HB2 GLN 115 HB2 GLN 115 -12.282 -3.079 8.395 901 HB3 GLN 115 HB3 GLN 115 -13.276 -2.163 9.524 902 HG2 GLN 115 HG2 GLN 115 -12.935 -5.183 9.538 903 HG3 GLN 115 HG3 GLN 115 -12.096 -4.049 10.598 904 HE21 GLN 115 HE21 GLN 115 -15.115 -5.644 9.923 905 HE22 GLN 115 HE22 GLN 115 -15.912 -5.205 11.392 906 HA PRO 116 HA PRO 116 -16.500 -0.122 6.164 907 HB2 PRO 116 HB2 PRO 116 -16.939 1.905 7.985 908 HB3 PRO 116 HB3 PRO 116 -17.999 0.499 7.816 909 HG2 PRO 116 HG2 PRO 116 -15.774 0.967 9.801 910 HG3 PRO 116 HG3 PRO 116 -17.417 0.354 10.092 911 HD2 PRO 116 HD2 PRO 116 -15.306 -1.317 9.925 912 HD3 PRO 116 HD3 PRO 116 -16.896 -1.791 9.285 913 H GLN 117 H GLN 117 -15.778 1.645 5.065 914 HA GLN 117 HA GLN 117 -12.944 2.157 5.138 915 HB2 GLN 117 HB2 GLN 117 -15.128 3.269 3.315 916 HB3 GLN 117 HB3 GLN 117 -13.391 3.404 3.033 917 HG2 GLN 117 HG2 GLN 117 -13.206 0.977 2.787 918 HG3 GLN 117 HG3 GLN 117 -14.916 0.776 3.168 919 HE21 GLN 117 HE21 GLN 117 -13.408 -0.005 0.763 920 HE22 GLN 117 HE22 GLN 117 -14.206 0.751 -0.568 921 H ALA 118 H ALA 118 -12.176 4.471 4.736 922 HA ALA 118 HA ALA 118 -12.850 6.090 7.019 923 HB1 ALA 118 HB1 ALA 118 -11.005 7.537 6.260 924 HB2 ALA 118 HB2 ALA 118 -10.913 6.642 4.740 925 HB3 ALA 118 HB3 ALA 118 -10.522 5.839 6.262 Start of MODEL 20 1 H MET 1 H MET 1 4.390 -1.190 -0.344 2 HA MET 1 HA MET 1 2.084 -0.638 -2.111 3 HB2 MET 1 HB2 MET 1 4.865 0.617 -2.065 4 HB3 MET 1 HB3 MET 1 3.567 1.023 -3.187 5 HG2 MET 1 HG2 MET 1 3.535 1.485 -0.193 6 HG3 MET 1 HG3 MET 1 3.787 2.715 -1.437 7 HE1 MET 1 HE1 MET 1 1.788 4.222 -0.426 8 HE2 MET 1 HE2 MET 1 1.596 3.018 0.851 9 HE3 MET 1 HE3 MET 1 0.190 3.572 -0.060 10 H ARG 2 H ARG 2 2.058 -2.820 -2.778 11 HA ARG 2 HA ARG 2 2.517 -4.692 -3.941 12 HB2 ARG 2 HB2 ARG 2 4.161 -2.799 -5.663 13 HB3 ARG 2 HB3 ARG 2 3.768 -4.452 -6.108 14 HG2 ARG 2 HG2 ARG 2 2.197 -3.227 -7.292 15 HG3 ARG 2 HG3 ARG 2 1.296 -3.727 -5.863 16 HD2 ARG 2 HD2 ARG 2 0.871 -1.369 -6.509 17 HD3 ARG 2 HD3 ARG 2 1.546 -1.512 -4.880 18 HE ARG 2 HE ARG 2 3.772 -1.034 -6.057 19 HH11 ARG 2 HH11 ARG 2 0.751 0.437 -7.085 20 HH12 ARG 2 HH12 ARG 2 1.539 1.821 -7.771 21 HH21 ARG 2 HH21 ARG 2 4.769 0.742 -6.968 22 HH22 ARG 2 HH22 ARG 2 3.815 1.977 -7.722 23 H LEU 3 H LEU 3 4.183 -4.189 -1.669 24 HA LEU 3 HA LEU 3 6.858 -5.155 -2.412 25 HB2 LEU 3 HB2 LEU 3 7.226 -4.801 0.194 26 HB3 LEU 3 HB3 LEU 3 7.263 -3.453 -0.919 27 HG LEU 3 HG LEU 3 4.855 -2.957 -0.263 28 HD11 LEU 3 HD11 LEU 3 4.211 -5.120 0.615 29 HD12 LEU 3 HD12 LEU 3 4.016 -3.870 1.841 30 HD13 LEU 3 HD13 LEU 3 5.393 -4.975 1.921 31 HD21 LEU 3 HD21 LEU 3 5.435 -1.821 1.814 32 HD22 LEU 3 HD22 LEU 3 6.754 -1.667 0.655 33 HD23 LEU 3 HD23 LEU 3 6.883 -2.813 1.991 34 H LYS 4 H LYS 4 7.796 -6.712 -0.677 35 HA LYS 4 HA LYS 4 6.490 -9.204 -1.065 36 HB2 LYS 4 HB2 LYS 4 8.907 -8.427 0.621 37 HB3 LYS 4 HB3 LYS 4 8.372 -10.087 0.388 38 HG2 LYS 4 HG2 LYS 4 8.667 -9.727 -2.112 39 HG3 LYS 4 HG3 LYS 4 9.454 -8.195 -1.717 40 HD2 LYS 4 HD2 LYS 4 10.368 -10.950 -0.779 41 HD3 LYS 4 HD3 LYS 4 11.090 -10.034 -2.104 42 HE2 LYS 4 HE2 LYS 4 11.014 -9.127 0.798 43 HE3 LYS 4 HE3 LYS 4 12.396 -9.886 0.008 44 HZ1 LYS 4 HZ1 LYS 4 12.550 -8.037 -1.496 45 HZ2 LYS 4 HZ2 LYS 4 12.569 -7.463 0.094 46 HZ3 LYS 4 HZ3 LYS 4 11.169 -7.324 -0.837 47 H SER 5 H SER 5 5.985 -10.757 0.623 48 HA SER 5 HA SER 5 4.062 -10.017 2.487 49 HB2 SER 5 HB2 SER 5 5.840 -12.492 2.421 50 HB3 SER 5 HB3 SER 5 4.333 -12.359 3.323 51 HG SER 5 HG SER 5 3.478 -13.041 1.543 52 H GLU 6 H GLU 6 7.522 -10.658 2.976 53 HA GLU 6 HA GLU 6 7.578 -10.346 5.790 54 HB2 GLU 6 HB2 GLU 6 9.351 -11.557 4.515 55 HB3 GLU 6 HB3 GLU 6 9.868 -10.033 3.794 56 HG2 GLU 6 HG2 GLU 6 10.421 -9.175 6.070 57 HG3 GLU 6 HG3 GLU 6 9.949 -10.726 6.752 58 H MET 7 H MET 7 8.272 -8.188 3.067 59 HA MET 7 HA MET 7 9.110 -5.950 4.615 60 HB2 MET 7 HB2 MET 7 9.678 -6.351 2.190 61 HB3 MET 7 HB3 MET 7 8.013 -5.973 1.768 62 HG2 MET 7 HG2 MET 7 9.421 -4.065 1.326 63 HG3 MET 7 HG3 MET 7 8.339 -3.679 2.659 64 HE1 MET 7 HE1 MET 7 9.266 -2.261 4.584 65 HE2 MET 7 HE2 MET 7 10.665 -2.784 5.521 66 HE3 MET 7 HE3 MET 7 9.278 -3.858 5.338 67 H PHE 8 H PHE 8 5.987 -7.215 3.716 68 HA PHE 8 HA PHE 8 4.486 -4.810 4.197 69 HB2 PHE 8 HB2 PHE 8 3.680 -6.670 2.670 70 HB3 PHE 8 HB3 PHE 8 3.425 -7.675 4.086 71 HD1 PHE 8 HD2 PHE 8 1.650 -6.972 5.800 72 HD2 PHE 8 HD1 PHE 8 2.086 -4.963 2.045 73 HE1 PHE 8 HE2 PHE 8 -0.557 -5.931 6.093 74 HE2 PHE 8 HE1 PHE 8 -0.119 -3.927 2.351 75 HZ PHE 8 HZ PHE 8 -1.444 -4.407 4.371 76 H VAL 9 H VAL 9 5.107 -7.857 5.989 77 HA VAL 9 HA VAL 9 3.468 -7.179 8.221 78 HB VAL 9 HB VAL 9 4.471 -9.077 9.410 79 HG11 VAL 9 HG11 VAL 9 3.840 -9.730 6.519 80 HG12 VAL 9 HG12 VAL 9 2.672 -9.535 7.828 81 HG13 VAL 9 HG13 VAL 9 3.814 -10.878 7.862 82 HG21 VAL 9 HG21 VAL 9 6.818 -8.830 8.683 83 HG22 VAL 9 HG22 VAL 9 6.374 -9.371 7.065 84 HG23 VAL 9 HG23 VAL 9 6.230 -10.474 8.434 85 H SER 10 H SER 10 6.925 -6.782 7.580 86 HA SER 10 HA SER 10 7.740 -5.885 10.126 87 HB2 SER 10 HB2 SER 10 8.880 -5.175 7.386 88 HB3 SER 10 HB3 SER 10 9.706 -4.940 8.930 89 HG SER 10 HG SER 10 9.673 -7.103 7.418 90 H ALA 11 H ALA 11 6.701 -4.089 7.214 91 HA ALA 11 HA ALA 11 6.734 -1.481 8.343 92 HB1 ALA 11 HB1 ALA 11 5.450 -0.820 6.345 93 HB2 ALA 11 HB2 ALA 11 5.122 -2.517 5.978 94 HB3 ALA 11 HB3 ALA 11 6.773 -1.901 5.908 95 H LEU 12 H LEU 12 4.331 -4.020 8.311 96 HA LEU 12 HA LEU 12 1.976 -2.628 8.965 97 HB2 LEU 12 HB2 LEU 12 1.911 -4.882 8.091 98 HB3 LEU 12 HB3 LEU 12 2.864 -5.482 9.434 99 HG LEU 12 HG LEU 12 0.944 -5.080 10.972 100 HD11 LEU 12 HD11 LEU 12 -0.149 -3.241 9.817 101 HD12 LEU 12 HD12 LEU 12 -1.271 -4.574 10.092 102 HD13 LEU 12 HD13 LEU 12 -0.590 -4.316 8.483 103 HD21 LEU 12 HD21 LEU 12 -0.442 -6.934 10.190 104 HD22 LEU 12 HD22 LEU 12 1.266 -7.288 9.934 105 HD23 LEU 12 HD23 LEU 12 0.251 -6.797 8.572 106 H ILE 13 H ILE 13 4.432 -4.134 10.940 107 HA ILE 13 HA ILE 13 3.317 -3.678 13.493 108 HB ILE 13 HB ILE 13 6.171 -4.139 12.530 109 HG12 ILE 13 HG12 ILE 13 4.228 -6.057 13.899 110 HG13 ILE 13 HG13 ILE 13 4.390 -5.934 12.155 111 HG21 ILE 13 HG21 ILE 13 6.326 -3.034 14.716 112 HG22 ILE 13 HG22 ILE 13 6.786 -4.731 14.852 113 HG23 ILE 13 HG23 ILE 13 5.198 -4.203 15.409 114 HD11 ILE 13 HD11 ILE 13 6.535 -6.788 14.072 115 HD12 ILE 13 HD12 ILE 13 6.683 -6.678 12.312 116 HD13 ILE 13 HD13 ILE 13 5.551 -7.822 13.036 117 H ARG 14 H ARG 14 5.358 -1.692 11.387 118 HA ARG 14 HA ARG 14 5.752 0.415 13.337 119 HB2 ARG 14 HB2 ARG 14 6.381 0.193 10.377 120 HB3 ARG 14 HB3 ARG 14 6.518 1.739 11.203 121 HG2 ARG 14 HG2 ARG 14 8.706 0.656 11.094 122 HG3 ARG 14 HG3 ARG 14 8.174 0.773 12.772 123 HD2 ARG 14 HD2 ARG 14 7.412 -1.606 12.637 124 HD3 ARG 14 HD3 ARG 14 8.081 -1.688 11.007 125 HE ARG 14 HE ARG 14 10.061 -0.870 12.877 126 HH11 ARG 14 HH11 ARG 14 8.338 -3.706 11.744 127 HH12 ARG 14 HH12 ARG 14 9.568 -4.811 12.253 128 HH21 ARG 14 HH21 ARG 14 11.666 -2.338 13.561 129 HH22 ARG 14 HH22 ARG 14 11.461 -4.038 13.286 130 H ARG 15 H ARG 15 3.302 -0.357 10.966 131 HA ARG 15 HA ARG 15 1.989 2.165 10.836 132 HB2 ARG 15 HB2 ARG 15 0.755 -0.610 10.543 133 HB3 ARG 15 HB3 ARG 15 -0.028 0.904 10.099 134 HG2 ARG 15 HG2 ARG 15 1.838 1.237 8.403 135 HG3 ARG 15 HG3 ARG 15 2.358 -0.408 8.770 136 HD2 ARG 15 HD2 ARG 15 0.957 -0.433 6.777 137 HD3 ARG 15 HD3 ARG 15 0.091 -1.240 8.094 138 HE ARG 15 HE ARG 15 -0.649 1.447 8.133 139 HH11 ARG 15 HH11 ARG 15 -1.039 -1.265 5.920 140 HH12 ARG 15 HH12 ARG 15 -2.520 -0.650 5.260 141 HH21 ARG 15 HH21 ARG 15 -2.572 2.206 7.277 142 HH22 ARG 15 HH22 ARG 15 -3.405 1.294 6.060 143 H VAL 16 H VAL 16 1.646 -0.654 13.011 144 HA VAL 16 HA VAL 16 -0.640 0.390 14.383 145 HB VAL 16 HB VAL 16 -0.578 -1.449 15.873 146 HG11 VAL 16 HG11 VAL 16 0.506 -2.483 13.231 147 HG12 VAL 16 HG12 VAL 16 -1.178 -2.102 13.587 148 HG13 VAL 16 HG13 VAL 16 -0.383 -3.431 14.430 149 HG21 VAL 16 HG21 VAL 16 1.788 -1.278 16.585 150 HG22 VAL 16 HG22 VAL 16 2.282 -2.062 15.084 151 HG23 VAL 16 HG23 VAL 16 1.295 -2.936 16.256 152 H PHE 17 H PHE 17 2.856 0.442 15.035 153 HA PHE 17 HA PHE 17 2.623 1.660 17.619 154 HB2 PHE 17 HB2 PHE 17 4.967 1.219 15.737 155 HB3 PHE 17 HB3 PHE 17 5.158 2.165 17.211 156 HD1 PHE 17 HD2 PHE 17 4.249 1.006 19.418 157 HD2 PHE 17 HD1 PHE 17 5.367 -1.130 15.893 158 HE1 PHE 17 HE2 PHE 17 4.535 -1.042 20.742 159 HE2 PHE 17 HE1 PHE 17 5.639 -3.181 17.229 160 HZ PHE 17 HZ PHE 17 5.226 -3.136 19.649 161 H ALA 18 H ALA 18 2.834 2.901 14.334 162 HA ALA 18 HA ALA 18 3.067 5.672 14.960 163 HB1 ALA 18 HB1 ALA 18 2.210 6.055 12.679 164 HB2 ALA 18 HB2 ALA 18 1.735 4.356 12.563 165 HB3 ALA 18 HB3 ALA 18 3.440 4.789 12.691 166 H ALA 19 H ALA 19 0.356 3.425 14.927 167 HA ALA 19 HA ALA 19 -1.675 5.464 15.427 168 HB1 ALA 19 HB1 ALA 19 -3.244 3.568 15.487 169 HB2 ALA 19 HB2 ALA 19 -1.890 2.433 15.423 170 HB3 ALA 19 HB3 ALA 19 -2.215 3.498 14.055 171 H GLY 20 H GLY 20 0.452 3.475 17.308 172 HA2 GLY 20 HA2 GLY 20 0.874 4.025 19.607 173 HA3 GLY 20 HA3 GLY 20 -0.829 4.386 19.828 174 H GLY 21 H GLY 21 -0.889 1.652 18.047 175 HA2 GLY 21 HA2 GLY 21 -1.382 -0.118 20.300 176 HA3 GLY 21 HA3 GLY 21 -1.611 -0.480 18.597 177 H PHE 22 H PHE 22 -0.639 -2.546 19.662 178 HA PHE 22 HA PHE 22 2.342 -2.534 19.589 179 HB2 PHE 22 HB2 PHE 22 1.460 -3.121 21.825 180 HB3 PHE 22 HB3 PHE 22 0.434 -4.366 21.128 181 HD1 PHE 22 HD1 PHE 22 3.999 -3.419 21.725 182 HD2 PHE 22 HD2 PHE 22 1.288 -6.596 20.796 183 HE1 PHE 22 HE1 PHE 22 5.805 -5.059 22.034 184 HE2 PHE 22 HE2 PHE 22 3.102 -8.230 21.109 185 HZ PHE 22 HZ PHE 22 5.362 -7.462 21.727 186 H ALA 23 H ALA 23 3.354 -4.469 18.608 187 HA ALA 23 HA ALA 23 1.755 -6.466 17.298 188 HB1 ALA 23 HB1 ALA 23 3.302 -4.552 15.529 189 HB2 ALA 23 HB2 ALA 23 1.549 -4.724 15.601 190 HB3 ALA 23 HB3 ALA 23 2.535 -6.052 14.992 191 H ALA 24 H ALA 24 3.012 -8.120 16.219 192 HA ALA 24 HA ALA 24 5.848 -8.272 16.265 193 HB1 ALA 24 HB1 ALA 24 6.145 -9.930 18.076 194 HB2 ALA 24 HB2 ALA 24 4.436 -9.784 18.503 195 HB3 ALA 24 HB3 ALA 24 5.520 -8.404 18.711 196 H VAL 25 H VAL 25 6.491 -9.962 14.943 197 HA VAL 25 HA VAL 25 4.449 -11.594 13.660 198 HB VAL 25 HB VAL 25 7.473 -11.510 13.174 199 HG11 VAL 25 HG11 VAL 25 6.558 -13.689 12.471 200 HG12 VAL 25 HG12 VAL 25 7.014 -12.730 11.063 201 HG13 VAL 25 HG13 VAL 25 5.314 -12.879 11.513 202 HG21 VAL 25 HG21 VAL 25 6.386 -9.390 12.585 203 HG22 VAL 25 HG22 VAL 25 5.209 -10.239 11.585 204 HG23 VAL 25 HG23 VAL 25 6.913 -10.230 11.129 205 H GLU 26 H GLU 26 3.805 -13.415 14.597 206 HA GLU 26 HA GLU 26 5.375 -14.943 16.491 207 HB2 GLU 26 HB2 GLU 26 2.640 -15.550 15.278 208 HB3 GLU 26 HB3 GLU 26 3.354 -16.324 16.696 209 HG2 GLU 26 HG2 GLU 26 3.311 -14.126 17.873 210 HG3 GLU 26 HG3 GLU 26 2.516 -13.415 16.468 211 H LYS 27 H LYS 27 3.941 -15.505 13.269 212 HA LYS 27 HA LYS 27 5.638 -17.917 12.897 213 HB2 LYS 27 HB2 LYS 27 3.252 -18.476 13.026 214 HB3 LYS 27 HB3 LYS 27 2.866 -17.281 11.793 215 HG2 LYS 27 HG2 LYS 27 4.059 -18.595 10.100 216 HG3 LYS 27 HG3 LYS 27 4.554 -19.759 11.332 217 HD2 LYS 27 HD2 LYS 27 2.210 -20.391 11.709 218 HD3 LYS 27 HD3 LYS 27 1.670 -19.189 10.533 219 HE2 LYS 27 HE2 LYS 27 1.659 -21.431 9.539 220 HE3 LYS 27 HE3 LYS 27 2.866 -20.420 8.745 221 HZ1 LYS 27 HZ1 LYS 27 3.749 -22.593 9.166 222 HZ2 LYS 27 HZ2 LYS 27 3.382 -22.488 10.810 223 HZ3 LYS 27 HZ3 LYS 27 4.566 -21.480 10.143 224 H LYS 28 H LYS 28 6.734 -18.137 10.967 225 HA LYS 28 HA LYS 28 6.806 -15.809 9.131 226 HB2 LYS 28 HB2 LYS 28 8.656 -15.699 10.847 227 HB3 LYS 28 HB3 LYS 28 9.258 -17.248 10.263 228 HG2 LYS 28 HG2 LYS 28 9.659 -16.249 8.038 229 HG3 LYS 28 HG3 LYS 28 9.037 -14.712 8.629 230 HD2 LYS 28 HD2 LYS 28 10.932 -14.793 10.378 231 HD3 LYS 28 HD3 LYS 28 11.607 -16.113 9.415 232 HE2 LYS 28 HE2 LYS 28 11.111 -13.257 8.492 233 HE3 LYS 28 HE3 LYS 28 12.678 -14.014 8.777 234 HZ1 LYS 28 HZ1 LYS 28 12.109 -13.878 6.425 235 HZ2 LYS 28 HZ2 LYS 28 10.739 -14.836 6.682 236 HZ3 LYS 28 HZ3 LYS 28 12.279 -15.483 6.926 237 H GLY 29 H GLY 29 6.424 -16.514 7.104 238 HA2 GLY 29 HA2 GLY 29 7.343 -19.222 6.264 239 HA3 GLY 29 HA3 GLY 29 5.819 -18.508 5.760 240 H ALA 30 H ALA 30 6.004 -18.146 3.630 241 HA ALA 30 HA ALA 30 8.444 -17.680 2.245 242 HB1 ALA 30 HB1 ALA 30 7.029 -17.472 0.243 243 HB2 ALA 30 HB2 ALA 30 5.584 -17.369 1.250 244 HB3 ALA 30 HB3 ALA 30 6.539 -18.853 1.221 245 H GLU 31 H GLU 31 9.490 -15.821 1.903 246 HA GLU 31 HA GLU 31 8.777 -13.445 3.232 247 HB2 GLU 31 HB2 GLU 31 10.919 -13.913 1.126 248 HB3 GLU 31 HB3 GLU 31 10.818 -12.487 2.159 249 HG2 GLU 31 HG2 GLU 31 11.246 -13.784 4.124 250 HG3 GLU 31 HG3 GLU 31 11.123 -15.303 3.247 251 H ALA 32 H ALA 32 8.439 -14.358 -0.171 252 HA ALA 32 HA ALA 32 7.647 -11.624 -0.938 253 HB1 ALA 32 HB1 ALA 32 7.788 -12.395 -3.254 254 HB2 ALA 32 HB2 ALA 32 8.070 -14.050 -2.707 255 HB3 ALA 32 HB3 ALA 32 9.264 -12.796 -2.371 256 H ALA 33 H ALA 33 6.231 -14.917 -0.922 257 HA ALA 33 HA ALA 33 3.626 -13.790 -1.835 258 HB1 ALA 33 HB1 ALA 33 3.242 -15.903 -3.021 259 HB2 ALA 33 HB2 ALA 33 4.783 -16.538 -2.435 260 HB3 ALA 33 HB3 ALA 33 4.757 -15.166 -3.545 261 H GLY 34 H GLY 34 4.866 -14.693 0.964 262 HA2 GLY 34 HA2 GLY 34 3.322 -16.837 1.967 263 HA3 GLY 34 HA3 GLY 34 4.103 -15.597 2.933 264 H ALA 35 H ALA 35 1.364 -16.979 2.988 265 HA ALA 35 HA ALA 35 -0.611 -14.929 2.479 266 HB1 ALA 35 HB1 ALA 35 -2.196 -16.580 3.427 267 HB2 ALA 35 HB2 ALA 35 -0.834 -17.608 3.895 268 HB3 ALA 35 HB3 ALA 35 -1.156 -17.292 2.192 269 H ILE 36 H ILE 36 -0.822 -13.211 3.836 270 HA ILE 36 HA ILE 36 0.337 -13.317 6.501 271 HB ILE 36 HB ILE 36 -0.929 -10.884 5.179 272 HG12 ILE 36 HG12 ILE 36 0.849 -11.654 3.667 273 HG13 ILE 36 HG13 ILE 36 1.394 -10.206 4.508 274 HG21 ILE 36 HG21 ILE 36 0.502 -9.618 6.770 275 HG22 ILE 36 HG22 ILE 36 1.082 -11.139 7.453 276 HG23 ILE 36 HG23 ILE 36 -0.618 -10.694 7.608 277 HD11 ILE 36 HD11 ILE 36 2.579 -11.784 6.118 278 HD12 ILE 36 HD12 ILE 36 3.215 -11.639 4.492 279 HD13 ILE 36 HD13 ILE 36 2.256 -13.049 4.928 280 H PHE 37 H PHE 37 -0.998 -14.279 7.932 281 HA PHE 37 HA PHE 37 -3.765 -13.338 8.264 282 HB2 PHE 37 HB2 PHE 37 -2.292 -15.788 9.312 283 HB3 PHE 37 HB3 PHE 37 -3.870 -15.301 9.928 284 HD1 PHE 37 HD1 PHE 37 -2.069 -16.466 6.887 285 HD2 PHE 37 HD2 PHE 37 -5.876 -15.722 8.680 286 HE1 PHE 37 HE1 PHE 37 -3.175 -17.629 5.030 287 HE2 PHE 37 HE2 PHE 37 -6.971 -16.887 6.823 288 HZ PHE 37 HZ PHE 37 -5.627 -17.844 4.995 289 H VAL 38 H VAL 38 -3.971 -11.682 9.584 290 HA VAL 38 HA VAL 38 -2.118 -11.286 11.871 291 HB VAL 38 HB VAL 38 -3.727 -9.168 10.343 292 HG11 VAL 38 HG11 VAL 38 -1.571 -8.824 12.468 293 HG12 VAL 38 HG12 VAL 38 -3.298 -8.533 12.696 294 HG13 VAL 38 HG13 VAL 38 -2.373 -7.517 11.590 295 HG21 VAL 38 HG21 VAL 38 -1.594 -8.437 9.377 296 HG22 VAL 38 HG22 VAL 38 -1.919 -10.117 8.943 297 HG23 VAL 38 HG23 VAL 38 -0.745 -9.742 10.210 298 H ARG 39 H ARG 39 -3.044 -11.047 13.903 299 HA ARG 39 HA ARG 39 -6.007 -10.997 14.059 300 HB2 ARG 39 HB2 ARG 39 -5.784 -12.030 16.318 301 HB3 ARG 39 HB3 ARG 39 -5.222 -13.062 15.014 302 HG2 ARG 39 HG2 ARG 39 -2.898 -12.664 15.613 303 HG3 ARG 39 HG3 ARG 39 -3.371 -11.458 16.812 304 HD2 ARG 39 HD2 ARG 39 -4.486 -13.173 18.155 305 HD3 ARG 39 HD3 ARG 39 -4.152 -14.386 16.934 306 HE ARG 39 HE ARG 39 -1.802 -14.173 17.441 307 HH11 ARG 39 HH11 ARG 39 -4.105 -13.123 19.891 308 HH12 ARG 39 HH12 ARG 39 -2.939 -13.173 21.178 309 HH21 ARG 39 HH21 ARG 39 -0.290 -14.239 19.164 310 HH22 ARG 39 HH22 ARG 39 -0.790 -13.807 20.767 311 H GLN 40 H GLN 40 -6.800 -9.083 14.687 312 HA GLN 40 HA GLN 40 -5.332 -7.141 16.240 313 HB2 GLN 40 HB2 GLN 40 -6.863 -5.823 15.163 314 HB3 GLN 40 HB3 GLN 40 -7.895 -7.189 14.781 315 HG2 GLN 40 HG2 GLN 40 -9.074 -6.992 16.872 316 HG3 GLN 40 HG3 GLN 40 -7.927 -5.799 17.479 317 HE21 GLN 40 HE21 GLN 40 -8.116 -3.702 16.836 318 HE22 GLN 40 HE22 GLN 40 -9.483 -3.083 15.977 319 H ARG 41 H ARG 41 -5.649 -6.669 18.404 320 HA ARG 41 HA ARG 41 -7.165 -8.638 20.005 321 HB2 ARG 41 HB2 ARG 41 -4.685 -9.001 20.034 322 HB3 ARG 41 HB3 ARG 41 -4.491 -7.379 20.703 323 HG2 ARG 41 HG2 ARG 41 -5.690 -8.017 22.729 324 HG3 ARG 41 HG3 ARG 41 -6.106 -9.585 22.028 325 HD2 ARG 41 HD2 ARG 41 -3.600 -10.061 21.904 326 HD3 ARG 41 HD3 ARG 41 -3.369 -8.611 22.887 327 HE ARG 41 HE ARG 41 -4.160 -9.732 24.722 328 HH11 ARG 41 HH11 ARG 41 -4.879 -11.688 21.874 329 HH12 ARG 41 HH12 ARG 41 -5.367 -13.070 22.806 330 HH21 ARG 41 HH21 ARG 41 -4.816 -11.544 25.918 331 HH22 ARG 41 HH22 ARG 41 -5.329 -12.987 25.102 332 H LEU 42 H LEU 42 -8.757 -7.632 20.943 333 HA LEU 42 HA LEU 42 -8.749 -4.812 21.636 334 HB2 LEU 42 HB2 LEU 42 -10.866 -6.965 22.106 335 HB3 LEU 42 HB3 LEU 42 -11.085 -5.254 22.421 336 HG LEU 42 HG LEU 42 -12.236 -5.676 20.393 337 HD11 LEU 42 HD11 LEU 42 -11.127 -4.352 18.706 338 HD12 LEU 42 HD12 LEU 42 -9.593 -4.500 19.565 339 HD13 LEU 42 HD13 LEU 42 -10.943 -3.636 20.306 340 HD21 LEU 42 HD21 LEU 42 -9.827 -7.145 19.309 341 HD22 LEU 42 HD22 LEU 42 -11.325 -6.816 18.434 342 HD23 LEU 42 HD23 LEU 42 -11.345 -7.870 19.844 343 H ARG 43 H ARG 43 -9.081 -4.056 23.784 344 HA ARG 43 HA ARG 43 -7.543 -5.201 25.843 345 HB2 ARG 43 HB2 ARG 43 -8.564 -3.465 27.316 346 HB3 ARG 43 HB3 ARG 43 -7.945 -2.812 25.809 347 HG2 ARG 43 HG2 ARG 43 -10.853 -3.527 25.776 348 HG3 ARG 43 HG3 ARG 43 -10.407 -2.209 26.859 349 HD2 ARG 43 HD2 ARG 43 -9.684 -2.292 23.908 350 HD3 ARG 43 HD3 ARG 43 -11.100 -1.461 24.568 351 HE ARG 43 HE ARG 43 -9.084 -0.418 26.032 352 HH11 ARG 43 HH11 ARG 43 -9.415 -0.746 22.560 353 HH12 ARG 43 HH12 ARG 43 -8.550 0.717 22.226 354 HH21 ARG 43 HH21 ARG 43 -7.979 1.497 25.572 355 HH22 ARG 43 HH22 ARG 43 -7.746 1.992 23.923 356 H ASP 44 H ASP 44 -10.795 -5.792 24.906 357 HA ASP 44 HA ASP 44 -11.914 -6.680 27.376 358 HB2 ASP 44 HB2 ASP 44 -12.803 -7.251 24.512 359 HB3 ASP 44 HB3 ASP 44 -13.789 -7.439 25.960 360 H GLY 45 H GLY 45 -9.688 -8.095 25.228 361 HA2 GLY 45 HA2 GLY 45 -8.575 -10.137 25.630 362 HA3 GLY 45 HA3 GLY 45 -9.993 -10.761 26.459 363 H ARG 46 H ARG 46 -11.283 -9.305 23.880 364 HA ARG 46 HA ARG 46 -11.427 -11.768 22.310 365 HB2 ARG 46 HB2 ARG 46 -13.021 -9.185 21.977 366 HB3 ARG 46 HB3 ARG 46 -13.292 -10.691 21.124 367 HG2 ARG 46 HG2 ARG 46 -13.626 -10.254 24.110 368 HG3 ARG 46 HG3 ARG 46 -14.923 -10.463 22.923 369 HD2 ARG 46 HD2 ARG 46 -14.027 -12.754 22.415 370 HD3 ARG 46 HD3 ARG 46 -12.826 -12.534 23.694 371 HE ARG 46 HE ARG 46 -15.217 -12.112 24.938 372 HH11 ARG 46 HH11 ARG 46 -13.976 -14.797 23.030 373 HH12 ARG 46 HH12 ARG 46 -14.850 -15.993 23.923 374 HH21 ARG 46 HH21 ARG 46 -16.369 -13.691 26.088 375 HH22 ARG 46 HH22 ARG 46 -16.216 -15.364 25.656 376 H GLU 47 H GLU 47 -11.585 -11.307 19.830 377 HA GLU 47 HA GLU 47 -9.386 -9.671 18.897 378 HB2 GLU 47 HB2 GLU 47 -9.183 -12.724 18.834 379 HB3 GLU 47 HB3 GLU 47 -8.119 -11.632 17.953 380 HG2 GLU 47 HG2 GLU 47 -7.661 -10.627 20.367 381 HG3 GLU 47 HG3 GLU 47 -8.247 -12.196 20.908 382 H ASN 48 H ASN 48 -9.023 -9.964 16.559 383 HA ASN 48 HA ASN 48 -11.300 -11.029 14.998 384 HB2 ASN 48 HB2 ASN 48 -10.025 -8.268 14.595 385 HB3 ASN 48 HB3 ASN 48 -11.193 -9.007 13.504 386 HD21 ASN 48 HD21 ASN 48 -10.754 -7.594 16.666 387 HD22 ASN 48 HD22 ASN 48 -12.405 -7.202 16.942 388 H LEU 49 H LEU 49 -10.553 -12.151 13.201 389 HA LEU 49 HA LEU 49 -7.635 -12.204 12.747 390 HB2 LEU 49 HB2 LEU 49 -9.383 -14.310 13.130 391 HB3 LEU 49 HB3 LEU 49 -9.314 -14.266 11.387 392 HG LEU 49 HG LEU 49 -6.914 -14.564 13.230 393 HD11 LEU 49 HD11 LEU 49 -8.338 -16.643 11.570 394 HD12 LEU 49 HD12 LEU 49 -8.281 -16.543 13.329 395 HD13 LEU 49 HD13 LEU 49 -6.811 -16.894 12.423 396 HD21 LEU 49 HD21 LEU 49 -7.030 -14.694 10.202 397 HD22 LEU 49 HD22 LEU 49 -5.637 -15.164 11.183 398 HD23 LEU 49 HD23 LEU 49 -6.191 -13.491 11.189 399 H TYR 50 H TYR 50 -6.809 -11.861 10.748 400 HA TYR 50 HA TYR 50 -8.562 -11.015 8.540 401 HB2 TYR 50 HB2 TYR 50 -5.903 -9.672 9.224 402 HB3 TYR 50 HB3 TYR 50 -7.118 -9.132 8.063 403 HD1 TYR 50 HD1 TYR 50 -9.508 -8.618 9.080 404 HD2 TYR 50 HD2 TYR 50 -5.909 -8.693 11.367 405 HE1 TYR 50 HE1 TYR 50 -10.589 -7.273 10.815 406 HE2 TYR 50 HE2 TYR 50 -6.987 -7.342 13.092 407 HH TYR 50 HH TYR 50 -10.367 -6.703 13.124 408 H GLY 51 H GLY 51 -7.838 -11.639 6.507 409 HA2 GLY 51 HA2 GLY 51 -5.252 -13.071 6.267 410 HA3 GLY 51 HA3 GLY 51 -6.742 -13.836 5.714 411 HA PRO 52 HA PRO 52 -4.870 -10.972 2.350 412 HB2 PRO 52 HB2 PRO 52 -4.010 -12.910 0.583 413 HB3 PRO 52 HB3 PRO 52 -2.978 -12.221 1.842 414 HG2 PRO 52 HG2 PRO 52 -4.515 -14.815 1.860 415 HG3 PRO 52 HG3 PRO 52 -2.848 -14.504 2.389 416 HD2 PRO 52 HD2 PRO 52 -4.908 -14.693 4.151 417 HD3 PRO 52 HD3 PRO 52 -3.532 -13.602 4.435 418 H ALA 53 H ALA 53 -6.722 -10.241 1.480 419 HA ALA 53 HA ALA 53 -9.034 -11.824 0.941 420 HB1 ALA 53 HB1 ALA 53 -8.442 -8.953 0.125 421 HB2 ALA 53 HB2 ALA 53 -9.209 -9.472 1.625 422 HB3 ALA 53 HB3 ALA 53 -10.030 -9.729 0.088 423 HA PRO 54 HA PRO 54 -8.442 -12.819 -3.465 424 HB2 PRO 54 HB2 PRO 54 -11.385 -12.396 -3.829 425 HB3 PRO 54 HB3 PRO 54 -10.414 -13.846 -4.123 426 HG2 PRO 54 HG2 PRO 54 -12.080 -13.707 -2.020 427 HG3 PRO 54 HG3 PRO 54 -10.510 -14.530 -1.890 428 HD2 PRO 54 HD2 PRO 54 -11.274 -11.751 -0.967 429 HD3 PRO 54 HD3 PRO 54 -10.343 -13.006 -0.114 430 H GLN 55 H GLN 55 -7.283 -10.964 -4.009 431 HA GLN 55 HA GLN 55 -8.216 -8.376 -4.512 432 HB2 GLN 55 HB2 GLN 55 -5.816 -8.894 -4.415 433 HB3 GLN 55 HB3 GLN 55 -5.947 -9.938 -5.827 434 HG2 GLN 55 HG2 GLN 55 -6.579 -7.891 -7.177 435 HG3 GLN 55 HG3 GLN 55 -6.205 -6.911 -5.758 436 HE21 GLN 55 HE21 GLN 55 -4.011 -6.616 -5.173 437 HE22 GLN 55 HE22 GLN 55 -2.711 -7.066 -6.221 438 H SER 56 H SER 56 -9.598 -7.617 -6.037 439 HA SER 56 HA SER 56 -10.494 -9.258 -8.252 440 HB2 SER 56 HB2 SER 56 -11.985 -7.248 -8.713 441 HB3 SER 56 HB3 SER 56 -12.187 -7.962 -7.115 442 HG SER 56 HG SER 56 -11.390 -5.461 -7.807 443 H PHE 57 H PHE 57 -8.425 -9.453 -9.247 444 HA PHE 57 HA PHE 57 -7.221 -7.114 -10.536 445 HB2 PHE 57 HB2 PHE 57 -5.447 -8.730 -11.263 446 HB3 PHE 57 HB3 PHE 57 -5.653 -8.654 -9.522 447 HD1 PHE 57 HD1 PHE 57 -6.187 -10.768 -12.531 448 HD2 PHE 57 HD2 PHE 57 -6.353 -10.599 -8.261 449 HE1 PHE 57 HE1 PHE 57 -6.379 -13.216 -12.432 450 HE2 PHE 57 HE2 PHE 57 -6.549 -13.048 -8.176 451 HZ PHE 57 HZ PHE 57 -6.562 -14.356 -10.258 452 H ALA 58 H ALA 58 -6.390 -7.686 -12.884 453 HA ALA 58 HA ALA 58 -8.610 -8.790 -14.516 454 HB1 ALA 58 HB1 ALA 58 -8.582 -6.332 -14.682 455 HB2 ALA 58 HB2 ALA 58 -8.117 -7.067 -16.218 456 HB3 ALA 58 HB3 ALA 58 -6.884 -6.366 -15.164 457 H ASP 59 H ASP 59 -7.784 -10.700 -14.954 458 HA ASP 59 HA ASP 59 -6.776 -12.325 -16.074 459 HB2 ASP 59 HB2 ASP 59 -6.398 -10.698 -17.934 460 HB3 ASP 59 HB3 ASP 59 -4.857 -10.245 -17.211 461 H ASP 60 H ASP 60 -4.110 -10.155 -15.158 462 HA ASP 60 HA ASP 60 -3.161 -11.591 -12.930 463 HB2 ASP 60 HB2 ASP 60 -2.621 -13.212 -14.922 464 HB3 ASP 60 HB3 ASP 60 -1.384 -12.050 -15.377 465 H GLU 61 H GLU 61 -3.417 -8.852 -14.494 466 HA GLU 61 HA GLU 61 -0.752 -7.760 -14.542 467 HB2 GLU 61 HB2 GLU 61 -3.458 -6.366 -14.748 468 HB3 GLU 61 HB3 GLU 61 -1.899 -5.581 -15.011 469 HG2 GLU 61 HG2 GLU 61 -1.452 -7.187 -16.867 470 HG3 GLU 61 HG3 GLU 61 -3.076 -7.842 -16.650 471 H ASP 62 H ASP 62 -3.597 -7.130 -12.448 472 HA ASP 62 HA ASP 62 -2.312 -5.163 -10.839 473 HB2 ASP 62 HB2 ASP 62 -4.798 -6.754 -10.097 474 HB3 ASP 62 HB3 ASP 62 -4.311 -5.189 -9.448 475 H ILE 63 H ILE 63 -1.955 -8.506 -10.773 476 HA ILE 63 HA ILE 63 -1.688 -9.340 -8.164 477 HB ILE 63 HB ILE 63 0.116 -10.032 -10.536 478 HG12 ILE 63 HG12 ILE 63 -2.243 -10.460 -11.052 479 HG13 ILE 63 HG13 ILE 63 -1.381 -11.983 -10.889 480 HG21 ILE 63 HG21 ILE 63 0.627 -12.157 -9.398 481 HG22 ILE 63 HG22 ILE 63 -0.280 -11.629 -7.978 482 HG23 ILE 63 HG23 ILE 63 1.184 -10.771 -8.459 483 HD11 ILE 63 HD11 ILE 63 -3.200 -10.744 -8.838 484 HD12 ILE 63 HD12 ILE 63 -2.348 -12.283 -8.674 485 HD13 ILE 63 HD13 ILE 63 -3.582 -12.082 -9.920 486 H MET 64 H MET 64 0.676 -7.574 -10.121 487 HA MET 64 HA MET 64 2.277 -6.913 -7.719 488 HB2 MET 64 HB2 MET 64 4.293 -6.975 -9.432 489 HB3 MET 64 HB3 MET 64 3.714 -8.467 -8.709 490 HG2 MET 64 HG2 MET 64 4.183 -8.703 -11.117 491 HG3 MET 64 HG3 MET 64 2.494 -9.038 -10.727 492 HE1 MET 64 HE1 MET 64 1.822 -7.500 -14.167 493 HE2 MET 64 HE2 MET 64 1.387 -8.753 -13.001 494 HE3 MET 64 HE3 MET 64 3.011 -8.714 -13.698 495 H ARG 65 H ARG 65 0.211 -5.580 -9.737 496 HA ARG 65 HA ARG 65 1.662 -2.999 -9.983 497 HB2 ARG 65 HB2 ARG 65 -0.925 -3.825 -11.380 498 HB3 ARG 65 HB3 ARG 65 -0.053 -2.312 -11.611 499 HG2 ARG 65 HG2 ARG 65 0.857 -5.088 -12.425 500 HG3 ARG 65 HG3 ARG 65 0.340 -3.783 -13.493 501 HD2 ARG 65 HD2 ARG 65 2.824 -3.756 -11.740 502 HD3 ARG 65 HD3 ARG 65 2.800 -4.074 -13.474 503 HE ARG 65 HE ARG 65 2.204 -1.488 -12.167 504 HH11 ARG 65 HH11 ARG 65 2.963 -3.242 -15.110 505 HH12 ARG 65 HH12 ARG 65 3.377 -1.813 -15.996 506 HH21 ARG 65 HH21 ARG 65 2.771 0.378 -13.336 507 HH22 ARG 65 HH22 ARG 65 3.264 0.236 -14.993 508 H ALA 66 H ALA 66 -0.708 -4.710 -8.245 509 HA ALA 66 HA ALA 66 -1.421 -2.307 -6.694 510 HB1 ALA 66 HB1 ALA 66 -3.732 -3.143 -6.418 511 HB2 ALA 66 HB2 ALA 66 -3.389 -4.495 -7.503 512 HB3 ALA 66 HB3 ALA 66 -3.373 -2.841 -8.119 513 H GLU 67 H GLU 67 -1.390 -2.643 -4.512 514 HA GLU 67 HA GLU 67 0.062 -4.858 -3.454 515 HB2 GLU 67 HB2 GLU 67 0.258 -2.567 -2.537 516 HB3 GLU 67 HB3 GLU 67 -1.431 -2.591 -2.054 517 HG2 GLU 67 HG2 GLU 67 -0.088 -2.929 -0.101 518 HG3 GLU 67 HG3 GLU 67 -0.916 -4.437 -0.466 519 H ARG 68 H ARG 68 -0.632 -6.333 -1.832 520 HA ARG 68 HA ARG 68 -3.168 -7.562 -2.058 521 HB2 ARG 68 HB2 ARG 68 -2.408 -9.039 -0.303 522 HB3 ARG 68 HB3 ARG 68 -1.006 -8.667 -1.297 523 HG2 ARG 68 HG2 ARG 68 -0.479 -6.849 0.508 524 HG3 ARG 68 HG3 ARG 68 -1.641 -7.722 1.510 525 HD2 ARG 68 HD2 ARG 68 0.495 -8.580 2.102 526 HD3 ARG 68 HD3 ARG 68 -0.239 -9.817 1.072 527 HE ARG 68 HE ARG 68 1.527 -7.843 -0.210 528 HH11 ARG 68 HH11 ARG 68 1.149 -11.160 0.906 529 HH12 ARG 68 HH12 ARG 68 2.593 -11.707 0.118 530 HH21 ARG 68 HH21 ARG 68 3.404 -8.588 -1.236 531 HH22 ARG 68 HH22 ARG 68 3.854 -10.262 -1.117 532 H ARG 69 H ARG 69 -5.042 -7.193 -0.954 533 HA ARG 69 HA ARG 69 -5.060 -5.388 1.389 534 HB2 ARG 69 HB2 ARG 69 -6.223 -4.533 -0.713 535 HB3 ARG 69 HB3 ARG 69 -7.337 -5.889 -0.592 536 HG2 ARG 69 HG2 ARG 69 -8.279 -5.044 1.451 537 HG3 ARG 69 HG3 ARG 69 -6.999 -3.835 1.616 538 HD2 ARG 69 HD2 ARG 69 -9.133 -3.899 -0.559 539 HD3 ARG 69 HD3 ARG 69 -9.066 -2.789 0.814 540 HE ARG 69 HE ARG 69 -6.910 -1.966 -0.148 541 HH11 ARG 69 HH11 ARG 69 -9.313 -3.378 -2.292 542 HH12 ARG 69 HH12 ARG 69 -8.743 -2.512 -3.682 543 HH21 ARG 69 HH21 ARG 69 -6.191 -0.834 -1.974 544 HH22 ARG 69 HH22 ARG 69 -6.975 -1.078 -3.504 545 H PHE 70 H PHE 70 -6.554 -6.065 3.073 546 HA PHE 70 HA PHE 70 -6.610 -9.018 3.251 547 HB2 PHE 70 HB2 PHE 70 -6.512 -6.848 5.386 548 HB3 PHE 70 HB3 PHE 70 -6.824 -8.540 5.760 549 HD1 PHE 70 HD1 PHE 70 -4.356 -6.872 3.461 550 HD2 PHE 70 HD2 PHE 70 -4.968 -9.420 6.837 551 HE1 PHE 70 HE1 PHE 70 -1.946 -7.266 3.600 552 HE2 PHE 70 HE2 PHE 70 -2.551 -9.801 6.969 553 HZ PHE 70 HZ PHE 70 -1.041 -8.725 5.353 554 H GLU 71 H GLU 71 -8.310 -9.836 4.759 555 HA GLU 71 HA GLU 71 -10.930 -8.503 4.536 556 HB2 GLU 71 HB2 GLU 71 -11.960 -10.722 4.034 557 HB3 GLU 71 HB3 GLU 71 -10.863 -10.208 2.756 558 HG2 GLU 71 HG2 GLU 71 -9.149 -11.740 3.499 559 HG3 GLU 71 HG3 GLU 71 -10.067 -12.161 4.944 560 H THR 72 H THR 72 -12.237 -8.881 6.349 561 HA THR 72 HA THR 72 -10.915 -9.787 8.745 562 HB THR 72 HB THR 72 -13.828 -8.950 8.417 563 HG1 THR 72 HG1 THR 72 -13.182 -6.936 8.447 564 HG21 THR 72 HG21 THR 72 -11.981 -8.912 10.845 565 HG22 THR 72 HG22 THR 72 -13.314 -10.044 10.592 566 HG23 THR 72 HG23 THR 72 -13.646 -8.324 10.807 567 H ARG 73 H ARG 73 -10.640 -11.974 8.778 568 HA ARG 73 HA ARG 73 -12.425 -13.936 7.751 569 HB2 ARG 73 HB2 ARG 73 -10.091 -14.184 9.710 570 HB3 ARG 73 HB3 ARG 73 -10.931 -15.555 8.994 571 HG2 ARG 73 HG2 ARG 73 -9.276 -13.481 7.515 572 HG3 ARG 73 HG3 ARG 73 -8.832 -15.163 7.833 573 HD2 ARG 73 HD2 ARG 73 -11.071 -14.158 6.042 574 HD3 ARG 73 HD3 ARG 73 -9.592 -14.978 5.538 575 HE ARG 73 HE ARG 73 -10.981 -16.683 7.285 576 HH11 ARG 73 HH11 ARG 73 -11.407 -15.366 4.050 577 HH12 ARG 73 HH12 ARG 73 -12.393 -16.689 3.522 578 HH21 ARG 73 HH21 ARG 73 -12.296 -18.388 6.572 579 HH22 ARG 73 HH22 ARG 73 -12.905 -18.381 4.948 580 H LEU 74 H LEU 74 -11.373 -13.546 11.129 581 HA LEU 74 HA LEU 74 -14.062 -14.310 12.110 582 HB2 LEU 74 HB2 LEU 74 -11.344 -14.344 13.486 583 HB3 LEU 74 HB3 LEU 74 -12.857 -14.840 14.232 584 HG LEU 74 HG LEU 74 -11.617 -16.237 11.820 585 HD11 LEU 74 HD11 LEU 74 -10.919 -18.005 13.358 586 HD12 LEU 74 HD12 LEU 74 -11.510 -17.073 14.737 587 HD13 LEU 74 HD13 LEU 74 -10.157 -16.471 13.775 588 HD21 LEU 74 HD21 LEU 74 -14.056 -16.540 11.970 589 HD22 LEU 74 HD22 LEU 74 -13.901 -17.096 13.640 590 HD23 LEU 74 HD23 LEU 74 -13.212 -18.048 12.322 591 H ALA 75 H ALA 75 -14.857 -13.095 13.999 592 HA ALA 75 HA ALA 75 -13.633 -10.534 14.609 593 HB1 ALA 75 HB1 ALA 75 -14.929 -10.042 12.560 594 HB2 ALA 75 HB2 ALA 75 -15.544 -9.170 13.963 595 HB3 ALA 75 HB3 ALA 75 -16.404 -10.594 13.360 596 H GLY 76 H GLY 76 -14.095 -9.814 16.597 597 HA2 GLY 76 HA2 GLY 76 -14.733 -9.841 18.793 598 HA3 GLY 76 HA3 GLY 76 -16.337 -10.217 18.217 599 H VAL 77 H VAL 77 -13.525 -12.170 17.760 600 HA VAL 77 HA VAL 77 -14.724 -14.453 19.193 601 HB VAL 77 HB VAL 77 -13.120 -15.841 17.884 602 HG11 VAL 77 HG11 VAL 77 -15.378 -15.507 16.975 603 HG12 VAL 77 HG12 VAL 77 -14.200 -15.641 15.668 604 HG13 VAL 77 HG13 VAL 77 -14.840 -14.058 16.121 605 HG21 VAL 77 HG21 VAL 77 -11.314 -14.203 17.567 606 HG22 VAL 77 HG22 VAL 77 -12.341 -13.249 16.496 607 HG23 VAL 77 HG23 VAL 77 -11.821 -14.865 16.010 608 H GLU 78 H GLU 78 -12.347 -15.906 19.711 609 HA GLU 78 HA GLU 78 -10.702 -14.062 21.360 610 HB2 GLU 78 HB2 GLU 78 -10.611 -15.818 23.111 611 HB3 GLU 78 HB3 GLU 78 -12.246 -15.221 22.841 612 HG2 GLU 78 HG2 GLU 78 -12.732 -17.233 21.471 613 HG3 GLU 78 HG3 GLU 78 -11.109 -17.839 21.807 614 H GLY 79 H GLY 79 -8.669 -15.324 22.171 615 HA2 GLY 79 HA2 GLY 79 -6.999 -15.815 19.971 616 HA3 GLY 79 HA3 GLY 79 -6.613 -16.189 21.645 617 H GLU 80 H GLU 80 -8.936 -18.030 21.854 618 HA GLU 80 HA GLU 80 -7.841 -20.497 21.062 619 HB2 GLU 80 HB2 GLU 80 -9.529 -20.235 22.881 620 HB3 GLU 80 HB3 GLU 80 -10.745 -19.808 21.685 621 HG2 GLU 80 HG2 GLU 80 -11.054 -22.103 22.386 622 HG3 GLU 80 HG3 GLU 80 -10.565 -22.062 20.691 623 H GLU 81 H GLU 81 -10.406 -18.497 19.658 624 HA GLU 81 HA GLU 81 -11.073 -20.191 17.474 625 HB2 GLU 81 HB2 GLU 81 -11.515 -17.188 17.722 626 HB3 GLU 81 HB3 GLU 81 -12.389 -18.297 16.665 627 HG2 GLU 81 HG2 GLU 81 -12.464 -18.264 19.694 628 HG3 GLU 81 HG3 GLU 81 -13.728 -17.666 18.621 629 H ILE 82 H ILE 82 -8.835 -17.481 17.869 630 HA ILE 82 HA ILE 82 -8.229 -17.088 15.128 631 HB ILE 82 HB ILE 82 -6.382 -16.484 17.496 632 HG12 ILE 82 HG12 ILE 82 -8.590 -15.342 17.776 633 HG13 ILE 82 HG13 ILE 82 -7.291 -14.195 17.495 634 HG21 ILE 82 HG21 ILE 82 -5.117 -16.426 15.475 635 HG22 ILE 82 HG22 ILE 82 -5.476 -14.750 15.868 636 HG23 ILE 82 HG23 ILE 82 -6.382 -15.561 14.613 637 HD11 ILE 82 HD11 ILE 82 -9.313 -15.102 15.452 638 HD12 ILE 82 HD12 ILE 82 -8.023 -13.924 15.188 639 HD13 ILE 82 HD13 ILE 82 -9.319 -13.573 16.330 640 H ALA 83 H ALA 83 -6.409 -18.743 17.716 641 HA ALA 83 HA ALA 83 -4.378 -19.850 16.097 642 HB1 ALA 83 HB1 ALA 83 -5.373 -20.786 18.809 643 HB2 ALA 83 HB2 ALA 83 -4.137 -19.560 18.524 644 HB3 ALA 83 HB3 ALA 83 -3.834 -21.236 18.061 645 H ALA 84 H ALA 84 -7.622 -20.921 16.819 646 HA ALA 84 HA ALA 84 -7.490 -23.612 15.993 647 HB1 ALA 84 HB1 ALA 84 -9.924 -23.458 15.698 648 HB2 ALA 84 HB2 ALA 84 -9.837 -21.694 15.781 649 HB3 ALA 84 HB3 ALA 84 -9.421 -22.665 17.194 650 H LEU 85 H LEU 85 -8.192 -20.624 14.118 651 HA LEU 85 HA LEU 85 -8.428 -22.040 11.624 652 HB2 LEU 85 HB2 LEU 85 -9.544 -19.840 11.955 653 HB3 LEU 85 HB3 LEU 85 -7.974 -19.068 12.055 654 HG LEU 85 HG LEU 85 -7.897 -20.537 9.620 655 HD11 LEU 85 HD11 LEU 85 -9.788 -19.808 8.327 656 HD12 LEU 85 HD12 LEU 85 -10.546 -19.138 9.775 657 HD13 LEU 85 HD13 LEU 85 -10.254 -20.878 9.648 658 HD21 LEU 85 HD21 LEU 85 -6.757 -18.463 9.946 659 HD22 LEU 85 HD22 LEU 85 -8.289 -17.571 9.995 660 HD23 LEU 85 HD23 LEU 85 -7.776 -18.376 8.510 661 H LEU 86 H LEU 86 -5.848 -20.174 13.223 662 HA LEU 86 HA LEU 86 -3.940 -20.135 11.171 663 HB2 LEU 86 HB2 LEU 86 -3.422 -20.307 14.164 664 HB3 LEU 86 HB3 LEU 86 -2.236 -19.830 12.955 665 HG LEU 86 HG LEU 86 -4.732 -18.272 13.756 666 HD11 LEU 86 HD11 LEU 86 -2.981 -18.121 15.395 667 HD12 LEU 86 HD12 LEU 86 -3.186 -16.584 14.560 668 HD13 LEU 86 HD13 LEU 86 -1.821 -17.630 14.158 669 HD21 LEU 86 HD21 LEU 86 -4.392 -17.997 11.347 670 HD22 LEU 86 HD22 LEU 86 -2.703 -17.559 11.613 671 HD23 LEU 86 HD23 LEU 86 -3.994 -16.510 12.204 672 H GLU 87 H GLU 87 -4.859 -22.652 13.390 673 HA GLU 87 HA GLU 87 -2.835 -24.568 12.898 674 HB2 GLU 87 HB2 GLU 87 -4.096 -24.835 14.883 675 HB3 GLU 87 HB3 GLU 87 -5.620 -24.522 14.076 676 HG2 GLU 87 HG2 GLU 87 -5.612 -26.786 14.715 677 HG3 GLU 87 HG3 GLU 87 -5.444 -26.723 12.965 678 H ARG 88 H ARG 88 -5.993 -23.877 11.404 679 HA ARG 88 HA ARG 88 -6.048 -26.231 9.746 680 HB2 ARG 88 HB2 ARG 88 -7.685 -23.659 9.769 681 HB3 ARG 88 HB3 ARG 88 -8.000 -24.976 8.637 682 HG2 ARG 88 HG2 ARG 88 -8.569 -26.491 10.418 683 HG3 ARG 88 HG3 ARG 88 -7.997 -25.362 11.649 684 HD2 ARG 88 HD2 ARG 88 -9.833 -23.861 11.242 685 HD3 ARG 88 HD3 ARG 88 -10.322 -24.748 9.797 686 HE ARG 88 HE ARG 88 -11.518 -26.154 11.110 687 HH11 ARG 88 HH11 ARG 88 -9.132 -24.689 13.249 688 HH12 ARG 88 HH12 ARG 88 -9.812 -25.406 14.672 689 HH21 ARG 88 HH21 ARG 88 -12.362 -27.079 12.990 690 HH22 ARG 88 HH22 ARG 88 -11.622 -26.745 14.525 691 H GLU 89 H GLU 89 -5.481 -22.783 9.093 692 HA GLU 89 HA GLU 89 -5.056 -22.963 6.330 693 HB2 GLU 89 HB2 GLU 89 -4.089 -20.827 8.268 694 HB3 GLU 89 HB3 GLU 89 -4.165 -20.654 6.511 695 HG2 GLU 89 HG2 GLU 89 -6.490 -20.981 8.418 696 HG3 GLU 89 HG3 GLU 89 -6.022 -19.516 7.562 697 H ARG 90 H ARG 90 -2.794 -23.143 9.068 698 HA ARG 90 HA ARG 90 -0.379 -23.032 7.564 699 HB2 ARG 90 HB2 ARG 90 0.791 -23.805 9.494 700 HB3 ARG 90 HB3 ARG 90 -0.547 -22.832 10.098 701 HG2 ARG 90 HG2 ARG 90 -1.823 -24.889 10.577 702 HG3 ARG 90 HG3 ARG 90 -0.483 -25.866 9.985 703 HD2 ARG 90 HD2 ARG 90 0.944 -24.976 11.803 704 HD3 ARG 90 HD3 ARG 90 -0.429 -24.035 12.403 705 HE ARG 90 HE ARG 90 -1.599 -26.248 12.683 706 HH11 ARG 90 HH11 ARG 90 1.907 -26.114 12.808 707 HH12 ARG 90 HH12 ARG 90 2.036 -27.519 13.810 708 HH21 ARG 90 HH21 ARG 90 -1.401 -28.086 13.995 709 HH22 ARG 90 HH22 ARG 90 0.170 -28.633 14.484 710 H ARG 91 H ARG 91 -2.611 -25.652 8.183 711 HA ARG 91 HA ARG 91 -0.961 -27.846 7.457 712 HB2 ARG 91 HB2 ARG 91 -2.979 -28.157 8.799 713 HB3 ARG 91 HB3 ARG 91 -3.993 -27.522 7.515 714 HG2 ARG 91 HG2 ARG 91 -2.369 -29.996 6.970 715 HG3 ARG 91 HG3 ARG 91 -3.799 -30.136 7.988 716 HD2 ARG 91 HD2 ARG 91 -5.218 -29.307 6.195 717 HD3 ARG 91 HD3 ARG 91 -3.812 -28.976 5.180 718 HE ARG 91 HE ARG 91 -3.449 -31.534 5.484 719 HH11 ARG 91 HH11 ARG 91 -6.573 -29.998 5.052 720 HH12 ARG 91 HH12 ARG 91 -7.236 -31.335 4.171 721 HH21 ARG 91 HH21 ARG 91 -4.325 -33.266 4.318 722 HH22 ARG 91 HH22 ARG 91 -5.966 -33.184 3.762 723 H PHE 92 H PHE 92 -3.187 -25.772 5.629 724 HA PHE 92 HA PHE 92 -2.759 -27.118 3.103 725 HB2 PHE 92 HB2 PHE 92 -4.087 -24.441 3.761 726 HB3 PHE 92 HB3 PHE 92 -4.123 -25.228 2.191 727 HD1 PHE 92 HD1 PHE 92 -5.502 -27.261 1.825 728 HD2 PHE 92 HD2 PHE 92 -5.462 -25.279 5.605 729 HE1 PHE 92 HE1 PHE 92 -7.516 -28.498 2.503 730 HE2 PHE 92 HE2 PHE 92 -7.478 -26.508 6.275 731 HZ PHE 92 HZ PHE 92 -8.508 -28.125 4.726 732 H ASP 93 H ASP 93 -1.592 -24.197 4.702 733 HA ASP 93 HA ASP 93 0.616 -23.867 2.814 734 HB2 ASP 93 HB2 ASP 93 -1.111 -22.378 1.899 735 HB3 ASP 93 HB3 ASP 93 -1.384 -21.654 3.483 736 H SER 94 H SER 94 2.074 -24.419 4.367 737 HA SER 94 HA SER 94 2.152 -23.285 7.019 738 HB2 SER 94 HB2 SER 94 2.997 -25.575 6.524 739 HB3 SER 94 HB3 SER 94 4.263 -24.888 5.504 740 HG SER 94 HG SER 94 5.354 -24.859 7.295 741 H ASP 95 H ASP 95 3.002 -22.103 3.966 742 HA ASP 95 HA ASP 95 5.221 -20.409 4.804 743 HB2 ASP 95 HB2 ASP 95 3.754 -20.787 2.175 744 HB3 ASP 95 HB3 ASP 95 4.910 -19.476 2.401 745 H LEU 96 H LEU 96 2.124 -20.214 5.584 746 HA LEU 96 HA LEU 96 1.617 -17.431 5.086 747 HB2 LEU 96 HB2 LEU 96 -0.438 -17.768 6.074 748 HB3 LEU 96 HB3 LEU 96 -0.058 -19.399 5.586 749 HG LEU 96 HG LEU 96 0.806 -19.609 8.114 750 HD11 LEU 96 HD11 LEU 96 -1.223 -17.363 8.339 751 HD12 LEU 96 HD12 LEU 96 0.484 -17.282 8.767 752 HD13 LEU 96 HD13 LEU 96 -0.599 -18.321 9.687 753 HD21 LEU 96 HD21 LEU 96 -2.138 -19.626 7.405 754 HD22 LEU 96 HD22 LEU 96 -1.381 -20.473 8.761 755 HD23 LEU 96 HD23 LEU 96 -0.996 -20.940 7.107 756 H TRP 97 H TRP 97 1.571 -15.765 6.697 757 HA TRP 97 HA TRP 97 3.547 -16.021 8.896 758 HB2 TRP 97 HB2 TRP 97 2.683 -13.565 7.296 759 HB3 TRP 97 HB3 TRP 97 3.763 -13.515 8.686 760 HD1 TRP 97 HD1 TRP 97 3.781 -15.575 5.359 761 HE1 TRP 97 HE1 TRP 97 6.151 -15.445 4.414 762 HE3 TRP 97 HE3 TRP 97 5.932 -12.599 8.900 763 HZ2 TRP 97 HZ2 TRP 97 8.597 -14.235 5.020 764 HZ3 TRP 97 HZ3 TRP 97 8.297 -11.986 8.638 765 HH2 TRP 97 HH2 TRP 97 9.598 -12.790 6.732 766 H VAL 98 H VAL 98 2.807 -15.609 10.944 767 HA VAL 98 HA VAL 98 0.135 -14.371 11.247 768 HB VAL 98 HB VAL 98 1.632 -16.076 13.291 769 HG11 VAL 98 HG11 VAL 98 -0.492 -15.964 14.589 770 HG12 VAL 98 HG12 VAL 98 -1.167 -14.864 13.384 771 HG13 VAL 98 HG13 VAL 98 0.215 -14.363 14.362 772 HG21 VAL 98 HG21 VAL 98 -0.129 -17.775 12.894 773 HG22 VAL 98 HG22 VAL 98 0.811 -17.465 11.433 774 HG23 VAL 98 HG23 VAL 98 -0.805 -16.776 11.603 775 H VAL 99 H VAL 99 0.131 -12.342 11.924 776 HA VAL 99 HA VAL 99 2.270 -11.365 13.750 777 HB VAL 99 HB VAL 99 0.574 -9.563 11.941 778 HG11 VAL 99 HG11 VAL 99 1.440 -8.435 13.941 779 HG12 VAL 99 HG12 VAL 99 2.230 -7.813 12.491 780 HG13 VAL 99 HG13 VAL 99 3.084 -8.946 13.543 781 HG21 VAL 99 HG21 VAL 99 3.399 -10.547 11.421 782 HG22 VAL 99 HG22 VAL 99 2.569 -9.299 10.489 783 HG23 VAL 99 HG23 VAL 99 1.961 -10.955 10.484 784 H GLU 100 H GLU 100 1.465 -11.125 15.767 785 HA GLU 100 HA GLU 100 -1.381 -10.621 16.218 786 HB2 GLU 100 HB2 GLU 100 -0.795 -10.671 18.625 787 HB3 GLU 100 HB3 GLU 100 -0.256 -12.123 17.791 788 HG2 GLU 100 HG2 GLU 100 2.049 -11.336 17.796 789 HG3 GLU 100 HG3 GLU 100 1.557 -9.789 18.487 790 H ILE 101 H ILE 101 -2.190 -8.627 16.436 791 HA ILE 101 HA ILE 101 -0.441 -6.339 17.090 792 HB ILE 101 HB ILE 101 -1.786 -4.862 15.624 793 HG12 ILE 101 HG12 ILE 101 -3.160 -7.376 14.568 794 HG13 ILE 101 HG13 ILE 101 -3.915 -6.213 15.640 795 HG21 ILE 101 HG21 ILE 101 -0.942 -5.616 13.414 796 HG22 ILE 101 HG22 ILE 101 -0.626 -7.221 14.080 797 HG23 ILE 101 HG23 ILE 101 0.267 -5.827 14.677 798 HD11 ILE 101 HD11 ILE 101 -3.723 -4.497 13.930 799 HD12 ILE 101 HD12 ILE 101 -4.620 -5.904 13.362 800 HD13 ILE 101 HD13 ILE 101 -2.951 -5.662 12.850 801 H GLU 102 H GLU 102 -1.183 -5.134 18.769 802 HA GLU 102 HA GLU 102 -3.786 -5.832 19.981 803 HB2 GLU 102 HB2 GLU 102 -1.757 -6.194 21.383 804 HB3 GLU 102 HB3 GLU 102 -1.354 -4.485 21.241 805 HG2 GLU 102 HG2 GLU 102 -3.454 -3.898 22.417 806 HG3 GLU 102 HG3 GLU 102 -3.849 -5.611 22.555 807 H THR 103 H THR 103 -5.310 -4.484 19.278 808 HA THR 103 HA THR 103 -5.188 -1.649 19.663 809 HB THR 103 HB THR 103 -3.889 -1.765 17.548 810 HG1 THR 103 HG1 THR 103 -5.445 -0.433 16.266 811 HG21 THR 103 HG21 THR 103 -4.810 -3.868 16.607 812 HG22 THR 103 HG22 THR 103 -4.924 -2.548 15.443 813 HG23 THR 103 HG23 THR 103 -6.361 -3.070 16.324 814 H ASP 104 H ASP 104 -7.200 -0.609 19.118 815 HA ASP 104 HA ASP 104 -9.559 -2.372 18.857 816 HB2 ASP 104 HB2 ASP 104 -10.859 -0.400 19.653 817 HB3 ASP 104 HB3 ASP 104 -9.619 -0.876 20.809 818 H GLU 105 H GLU 105 -7.715 0.107 17.356 819 HA GLU 105 HA GLU 105 -9.698 0.626 15.232 820 HB2 GLU 105 HB2 GLU 105 -8.082 2.609 14.760 821 HB3 GLU 105 HB3 GLU 105 -9.087 2.690 16.199 822 HG2 GLU 105 HG2 GLU 105 -7.141 1.895 17.561 823 HG3 GLU 105 HG3 GLU 105 -6.146 1.931 16.107 824 H ILE 106 H ILE 106 -9.401 -0.955 13.767 825 HA ILE 106 HA ILE 106 -6.751 -1.948 13.077 826 HB ILE 106 HB ILE 106 -8.571 -3.572 13.293 827 HG12 ILE 106 HG12 ILE 106 -8.316 -4.762 11.071 828 HG13 ILE 106 HG13 ILE 106 -7.531 -3.320 10.428 829 HG21 ILE 106 HG21 ILE 106 -9.945 -2.174 10.979 830 HG22 ILE 106 HG22 ILE 106 -10.491 -2.207 12.656 831 HG23 ILE 106 HG23 ILE 106 -10.462 -3.698 11.711 832 HD11 ILE 106 HD11 ILE 106 -6.543 -4.961 12.751 833 HD12 ILE 106 HD12 ILE 106 -5.734 -3.568 12.023 834 HD13 ILE 106 HD13 ILE 106 -5.958 -5.044 11.092 835 H GLY 107 H GLY 107 -9.176 0.220 11.726 836 HA2 GLY 107 HA2 GLY 107 -8.478 -0.038 8.971 837 HA3 GLY 107 HA3 GLY 107 -9.464 1.226 9.682 838 H THR 108 H THR 108 -6.999 1.772 11.492 839 HA THR 108 HA THR 108 -5.818 3.797 9.761 840 HB THR 108 HB THR 108 -6.473 4.433 12.025 841 HG1 THR 108 HG1 THR 108 -4.402 5.290 12.715 842 HG21 THR 108 HG21 THR 108 -5.305 3.587 14.030 843 HG22 THR 108 HG22 THR 108 -4.432 2.422 13.032 844 HG23 THR 108 HG23 THR 108 -6.184 2.296 13.205 845 H LEU 109 H LEU 109 -4.977 0.633 10.953 846 HA LEU 109 HA LEU 109 -2.122 1.027 10.266 847 HB2 LEU 109 HB2 LEU 109 -1.659 -0.603 12.188 848 HB3 LEU 109 HB3 LEU 109 -2.124 1.034 12.595 849 HG LEU 109 HG LEU 109 -4.550 0.035 12.863 850 HD11 LEU 109 HD11 LEU 109 -2.947 -2.502 13.236 851 HD12 LEU 109 HD12 LEU 109 -4.096 -2.182 11.931 852 HD13 LEU 109 HD13 LEU 109 -4.661 -2.274 13.599 853 HD21 LEU 109 HD21 LEU 109 -3.226 0.973 14.708 854 HD22 LEU 109 HD22 LEU 109 -2.422 -0.580 14.934 855 HD23 LEU 109 HD23 LEU 109 -4.156 -0.430 15.223 856 H LEU 110 H LEU 110 -4.849 -0.700 9.428 857 HA LEU 110 HA LEU 110 -3.318 -2.354 7.624 858 HB2 LEU 110 HB2 LEU 110 -3.373 -3.827 9.632 859 HB3 LEU 110 HB3 LEU 110 -5.122 -3.696 9.687 860 HG LEU 110 HG LEU 110 -5.248 -4.856 7.465 861 HD11 LEU 110 HD11 LEU 110 -3.300 -6.012 6.556 862 HD12 LEU 110 HD12 LEU 110 -2.273 -5.267 7.781 863 HD13 LEU 110 HD13 LEU 110 -3.071 -4.264 6.567 864 HD21 LEU 110 HD21 LEU 110 -4.764 -7.119 8.282 865 HD22 LEU 110 HD22 LEU 110 -5.541 -6.155 9.536 866 HD23 LEU 110 HD23 LEU 110 -3.801 -6.455 9.607 867 H THR 111 H THR 111 -4.511 -2.795 5.786 868 HA THR 111 HA THR 111 -7.101 -1.420 5.584 869 HB THR 111 HB THR 111 -5.356 -2.451 3.305 870 HG1 THR 111 HG1 THR 111 -5.533 0.261 4.099 871 HG21 THR 111 HG21 THR 111 -6.679 -0.874 1.935 872 HG22 THR 111 HG22 THR 111 -7.616 -0.406 3.358 873 HG23 THR 111 HG23 THR 111 -7.743 -2.048 2.720 874 H LEU 112 H LEU 112 -8.978 -2.451 5.126 875 HA LEU 112 HA LEU 112 -8.978 -5.354 4.509 876 HB2 LEU 112 HB2 LEU 112 -10.927 -3.936 6.382 877 HB3 LEU 112 HB3 LEU 112 -10.880 -5.655 6.022 878 HG LEU 112 HG LEU 112 -8.556 -4.241 7.368 879 HD11 LEU 112 HD11 LEU 112 -10.856 -5.613 8.733 880 HD12 LEU 112 HD12 LEU 112 -10.465 -3.889 8.780 881 HD13 LEU 112 HD13 LEU 112 -9.367 -5.059 9.505 882 HD21 LEU 112 HD21 LEU 112 -8.018 -6.371 6.322 883 HD22 LEU 112 HD22 LEU 112 -9.307 -7.163 7.231 884 HD23 LEU 112 HD23 LEU 112 -7.913 -6.483 8.077 885 H VAL 113 H VAL 113 -10.672 -6.079 3.226 886 HA VAL 113 HA VAL 113 -12.131 -4.171 1.598 887 HB VAL 113 HB VAL 113 -12.964 -6.186 0.360 888 HG11 VAL 113 HG11 VAL 113 -10.857 -5.129 -0.353 889 HG12 VAL 113 HG12 VAL 113 -10.817 -6.869 -0.639 890 HG13 VAL 113 HG13 VAL 113 -9.945 -6.181 0.734 891 HG21 VAL 113 HG21 VAL 113 -12.079 -8.441 0.855 892 HG22 VAL 113 HG22 VAL 113 -12.997 -7.825 2.232 893 HG23 VAL 113 HG23 VAL 113 -11.230 -7.813 2.271 894 H ASP 114 H ASP 114 -12.618 -6.106 4.412 895 HA ASP 114 HA ASP 114 -15.502 -6.385 4.150 896 HB2 ASP 114 HB2 ASP 114 -14.140 -8.255 5.053 897 HB3 ASP 114 HB3 ASP 114 -13.607 -7.238 6.387 898 H GLN 115 H GLN 115 -13.384 -5.094 6.776 899 HA GLN 115 HA GLN 115 -15.482 -3.823 8.148 900 HB2 GLN 115 HB2 GLN 115 -12.471 -3.478 8.328 901 HB3 GLN 115 HB3 GLN 115 -13.575 -2.600 9.382 902 HG2 GLN 115 HG2 GLN 115 -13.343 -5.616 9.208 903 HG3 GLN 115 HG3 GLN 115 -12.633 -4.601 10.461 904 HE21 GLN 115 HE21 GLN 115 -13.990 -3.644 12.002 905 HE22 GLN 115 HE22 GLN 115 -15.593 -4.220 12.277 906 HA PRO 116 HA PRO 116 -15.994 0.247 6.140 907 HB2 PRO 116 HB2 PRO 116 -16.400 1.036 9.037 908 HB3 PRO 116 HB3 PRO 116 -17.376 1.437 7.614 909 HG2 PRO 116 HG2 PRO 116 -18.212 -0.431 9.317 910 HG3 PRO 116 HG3 PRO 116 -18.413 -0.667 7.567 911 HD2 PRO 116 HD2 PRO 116 -16.386 -1.902 9.427 912 HD3 PRO 116 HD3 PRO 116 -17.240 -2.621 8.045 913 H GLN 117 H GLN 117 -14.309 1.422 5.540 914 HA GLN 117 HA GLN 117 -11.837 1.550 7.042 915 HB2 GLN 117 HB2 GLN 117 -12.617 2.725 4.330 916 HB3 GLN 117 HB3 GLN 117 -10.974 2.624 4.965 917 HG2 GLN 117 HG2 GLN 117 -11.022 0.204 4.883 918 HG3 GLN 117 HG3 GLN 117 -12.730 0.202 4.443 919 HE21 GLN 117 HE21 GLN 117 -10.562 -1.021 3.023 920 HE22 GLN 117 HE22 GLN 117 -10.525 -0.319 1.449 921 H ALA 118 H ALA 118 -11.039 4.205 6.031 922 HA ALA 118 HA ALA 118 -10.810 6.303 6.781 923 HB1 ALA 118 HB1 ALA 118 -13.799 6.204 7.313 924 HB2 ALA 118 HB2 ALA 118 -13.035 6.673 5.796 925 HB3 ALA 118 HB3 ALA 118 -12.808 7.669 7.235
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