NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595000 | 2n6y | 25786 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 14 HT1 ASP 14 4.120 -0.913 -5.341 2 HA ASP 14 HA ASP 14 3.094 -2.396 -6.880 3 HB2 ASP 14 HB2 ASP 14 4.291 -4.558 -6.153 4 HB3 ASP 14 HB3 ASP 14 5.291 -3.104 -6.230 5 H ASN 15 H ASN 15 2.858 -4.454 -3.987 6 HA ASN 15 HA ASN 15 0.334 -5.472 -4.770 7 HB2 ASN 15 HB2 ASN 15 1.959 -5.688 -2.228 8 HB3 ASN 15 HB3 ASN 15 0.415 -6.498 -2.433 9 HD21 ASN 15 HD21 ASN 15 3.786 -6.393 -3.465 10 HD22 ASN 15 HD22 ASN 15 3.765 -7.958 -4.181 11 H ARG 16 H ARG 16 -1.657 -5.227 -3.598 12 HA ARG 16 HA ARG 16 -1.841 -2.573 -2.400 13 HB2 ARG 16 HB2 ARG 16 -3.874 -4.181 -3.904 14 HB3 ARG 16 HB3 ARG 16 -4.270 -2.714 -3.017 15 HG2 ARG 16 HG2 ARG 16 -2.834 -1.411 -4.452 16 HG3 ARG 16 HG3 ARG 16 -2.273 -2.873 -5.270 17 HD2 ARG 16 HD2 ARG 16 -4.040 -1.595 -6.509 18 HD3 ARG 16 HD3 ARG 16 -4.428 -3.286 -6.174 19 HE ARG 16 HE ARG 16 -5.489 -2.028 -4.068 20 HH11 ARG 16 HH11 ARG 16 -5.965 -1.507 -7.563 21 HH12 ARG 16 HH12 ARG 16 -7.633 -1.158 -7.307 22 HH21 ARG 16 HH21 ARG 16 -7.674 -1.437 -3.862 23 HH22 ARG 16 HH22 ARG 16 -8.567 -1.112 -5.302 24 H HIS 17 H HIS 17 -4.497 -4.926 -2.054 25 HA HIS 17 HA HIS 17 -4.255 -4.799 0.837 26 HB2 HIS 17 HB2 HIS 17 -5.977 -6.414 -1.060 27 HB3 HIS 17 HB3 HIS 17 -5.920 -6.815 0.650 28 HD1 HIS 17 HD1 HIS 17 -7.255 -4.153 -1.730 29 HD2 HIS 17 HD2 HIS 17 -7.277 -5.090 2.332 30 HE1 HIS 17 HE1 HIS 17 -9.021 -2.735 -0.695 31 H ALA 18 H ALA 18 -3.142 -6.750 -1.605 32 HA ALA 18 HA ALA 18 -2.147 -8.849 -0.078 33 HB1 ALA 18 HB1 ALA 18 -0.723 -9.360 -2.004 34 HB2 ALA 18 HB2 ALA 18 -1.218 -7.821 -2.756 35 HB3 ALA 18 HB3 ALA 18 -2.413 -9.078 -2.380 36 H ALA 19 H ALA 19 -1.071 -5.588 -0.110 37 HA ALA 19 HA ALA 19 1.661 -6.100 0.609 38 HB1 ALA 19 HB1 ALA 19 -0.058 -3.721 1.329 39 HB2 ALA 19 HB2 ALA 19 0.904 -3.866 -0.147 40 HB3 ALA 19 HB3 ALA 19 1.699 -3.813 1.431 41 H ASP 20 H ASP 20 -1.326 -6.339 2.330 42 HA ASP 20 HA ASP 20 -0.332 -6.240 4.997 43 HB2 ASP 20 HB2 ASP 20 -2.746 -6.055 4.424 44 HB3 ASP 20 HB3 ASP 20 -2.719 -7.707 3.828 45 H TYR 21 H TYR 21 -0.499 -8.587 2.542 46 HA TYR 21 HA TYR 21 0.105 -11.019 3.780 47 HB2 TYR 21 HB2 TYR 21 -0.480 -11.113 1.521 48 HB3 TYR 21 HB3 TYR 21 0.674 -9.878 1.074 49 HD1 TYR 21 HD1 TYR 21 3.109 -10.488 0.793 50 HD2 TYR 21 HD2 TYR 21 0.088 -13.407 1.536 51 HE1 TYR 21 HE1 TYR 21 4.574 -12.178 -0.021 52 HE2 TYR 21 HE2 TYR 21 1.618 -15.138 0.726 53 HH TYR 21 HH TYR 21 3.732 -15.129 -0.974 54 H GLN 22 H GLN 22 2.227 -8.337 3.031 55 HA GLN 22 HA GLN 22 4.698 -9.641 3.275 56 HB2 GLN 22 HB2 GLN 22 4.628 -7.436 2.336 57 HB3 GLN 22 HB3 GLN 22 3.903 -6.775 3.790 58 HG2 GLN 22 HG2 GLN 22 6.257 -6.154 3.556 59 HG3 GLN 22 HG3 GLN 22 5.951 -7.101 5.010 60 HE21 GLN 22 HE21 GLN 22 8.023 -7.744 5.215 61 HE22 GLN 22 HE22 GLN 22 8.801 -8.857 4.141 62 H GLN 23 H GLN 23 2.620 -8.164 5.674 63 HA GLN 23 HA GLN 23 4.434 -8.570 7.814 64 HB2 GLN 23 HB2 GLN 23 1.477 -8.023 7.805 65 HB3 GLN 23 HB3 GLN 23 2.392 -8.231 9.293 66 HG2 GLN 23 HG2 GLN 23 2.889 -6.130 7.189 67 HG3 GLN 23 HG3 GLN 23 2.130 -5.872 8.762 68 HE21 GLN 23 HE21 GLN 23 5.142 -6.476 7.092 69 HE22 GLN 23 HE22 GLN 23 6.181 -6.175 8.396 70 H LEU 24 H LEU 24 1.949 -10.528 6.425 71 HA LEU 24 HA LEU 24 1.996 -12.654 8.343 72 HB2 LEU 24 HB2 LEU 24 0.179 -12.464 6.762 73 HB3 LEU 24 HB3 LEU 24 1.297 -12.593 5.418 74 HG LEU 24 HG LEU 24 1.865 -14.890 6.247 75 HD11 LEU 24 HD11 LEU 24 1.096 -14.712 8.504 76 HD12 LEU 24 HD12 LEU 24 0.282 -16.024 7.658 77 HD13 LEU 24 HD13 LEU 24 -0.569 -14.503 7.950 78 HD21 LEU 24 HD21 LEU 24 0.348 -14.376 4.361 79 HD22 LEU 24 HD22 LEU 24 -1.019 -14.583 5.487 80 HD23 LEU 24 HD23 LEU 24 0.137 -15.909 5.175 81 H ARG 25 H ARG 25 3.682 -12.115 5.283 82 HA ARG 25 HA ARG 25 5.054 -14.467 5.089 83 HB2 ARG 25 HB2 ARG 25 4.779 -12.666 3.381 84 HB3 ARG 25 HB3 ARG 25 5.966 -11.714 4.255 85 HG2 ARG 25 HG2 ARG 25 7.653 -13.324 3.823 86 HG3 ARG 25 HG3 ARG 25 6.458 -14.412 3.098 87 HD2 ARG 25 HD2 ARG 25 5.997 -12.659 1.375 88 HD3 ARG 25 HD3 ARG 25 7.301 -11.708 2.049 89 HE ARG 25 HE ARG 25 8.813 -13.581 1.485 90 HH11 ARG 25 HH11 ARG 25 5.744 -13.326 -0.344 91 HH12 ARG 25 HH12 ARG 25 6.389 -14.123 -1.694 92 HH21 ARG 25 HH21 ARG 25 9.591 -14.705 -0.571 93 HH22 ARG 25 HH22 ARG 25 8.413 -14.837 -1.820 94 H GLU 26 H GLU 26 6.032 -11.432 6.626 95 HA GLU 26 HA GLU 26 8.516 -12.276 7.614 96 HB2 GLU 26 HB2 GLU 26 6.565 -10.233 8.607 97 HB3 GLU 26 HB3 GLU 26 8.151 -10.469 9.308 98 HG2 GLU 26 HG2 GLU 26 9.205 -9.803 7.272 99 HG3 GLU 26 HG3 GLU 26 7.644 -9.731 6.448 100 H ARG 27 H ARG 27 5.290 -12.233 9.186 101 HA ARG 27 HA ARG 27 6.115 -13.084 11.697 102 HB2 ARG 27 HB2 ARG 27 3.607 -12.720 10.346 103 HB3 ARG 27 HB3 ARG 27 3.586 -14.053 11.488 104 HG2 ARG 27 HG2 ARG 27 2.884 -12.158 12.668 105 HG3 ARG 27 HG3 ARG 27 4.504 -12.500 13.206 106 HD2 ARG 27 HD2 ARG 27 3.943 -10.452 11.077 107 HD3 ARG 27 HD3 ARG 27 3.888 -10.048 12.787 108 HE ARG 27 HE ARG 27 6.316 -11.108 12.592 109 HH11 ARG 27 HH11 ARG 27 4.738 -8.713 10.459 110 HH12 ARG 27 HH12 ARG 27 6.228 -7.980 10.054 111 HH21 ARG 27 HH21 ARG 27 8.298 -9.942 12.029 112 HH22 ARG 27 HH22 ARG 27 8.145 -8.640 10.882 113 H LEU 28 H LEU 28 5.219 -14.983 8.871 114 HA LEU 28 HA LEU 28 5.030 -17.430 10.320 115 HB2 LEU 28 HB2 LEU 28 5.427 -16.922 7.374 116 HB3 LEU 28 HB3 LEU 28 5.157 -18.508 8.067 117 HG LEU 28 HG LEU 28 3.208 -16.207 8.162 118 HD11 LEU 28 HD11 LEU 28 3.207 -18.758 6.571 119 HD12 LEU 28 HD12 LEU 28 3.414 -17.122 5.937 120 HD13 LEU 28 HD13 LEU 28 1.882 -17.602 6.659 121 HD21 LEU 28 HD21 LEU 28 2.986 -19.054 9.086 122 HD22 LEU 28 HD22 LEU 28 1.663 -17.895 9.001 123 HD23 LEU 28 HD23 LEU 28 3.002 -17.614 10.108 124 H ILE 29 H ILE 29 7.513 -16.008 8.321 125 HA ILE 29 HA ILE 29 9.514 -17.940 8.503 126 HB ILE 29 HB ILE 29 9.528 -14.931 8.321 127 HG12 ILE 29 HG12 ILE 29 10.203 -17.060 6.285 128 HG13 ILE 29 HG11 ILE 29 8.670 -16.207 6.403 129 HG21 ILE 29 HG21 ILE 29 11.965 -16.677 8.197 130 HG22 ILE 29 HG22 ILE 29 11.557 -15.461 9.417 131 HG23 ILE 29 HG23 ILE 29 11.892 -14.961 7.756 132 HD11 ILE 29 HD11 ILE 29 11.342 -14.976 5.775 133 HD12 ILE 29 HD12 ILE 29 9.810 -14.107 5.886 134 HD13 ILE 29 HD13 ILE 29 10.052 -15.312 4.621 135 H GLN 30 H GLN 30 8.730 -15.300 10.652 136 HA GLN 30 HA GLN 30 10.811 -15.852 12.505 137 HB2 GLN 30 HB2 GLN 30 8.448 -14.004 12.521 138 HB3 GLN 30 HB3 GLN 30 9.623 -14.064 13.842 139 HG2 GLN 30 HG2 GLN 30 11.353 -13.266 12.485 140 HG3 GLN 30 HG3 GLN 30 10.494 -13.666 11.005 141 HE21 GLN 30 HE21 GLN 30 10.796 -11.646 10.198 142 HE22 GLN 30 HE22 GLN 30 9.957 -10.243 10.730 143 H GLU 31 H GLU 31 7.407 -16.813 12.332 144 HA GLU 31 HA GLU 31 7.343 -17.730 15.055 145 HB2 GLU 31 HB2 GLU 31 5.238 -17.016 13.884 146 HB3 GLU 31 HB3 GLU 31 5.436 -18.377 12.810 147 HG2 GLU 31 HG2 GLU 31 5.252 -19.961 14.607 148 HG3 GLU 31 HG3 GLU 31 5.150 -18.664 15.782 149 H LEU 32 H LEU 32 7.743 -19.248 11.908 150 HA LEU 32 HA LEU 32 7.765 -21.901 13.004 151 HB2 LEU 32 HB2 LEU 32 8.297 -20.808 10.260 152 HB3 LEU 32 HB3 LEU 32 8.613 -22.478 10.647 153 HG LEU 32 HG LEU 32 6.202 -22.822 11.108 154 HD11 LEU 32 HD11 LEU 32 5.885 -19.985 10.172 155 HD12 LEU 32 HD12 LEU 32 5.489 -20.606 11.779 156 HD13 LEU 32 HD13 LEU 32 4.575 -21.142 10.361 157 HD21 LEU 32 HD21 LEU 32 5.468 -22.539 8.721 158 HD22 LEU 32 HD22 LEU 32 7.005 -23.374 8.987 159 HD23 LEU 32 HD23 LEU 32 7.011 -21.697 8.467 160 H ASN 33 H ASN 33 9.959 -19.503 13.169 161 HA ASN 33 HA ASN 33 12.198 -19.292 13.580 162 HB2 ASN 33 HB2 ASN 33 11.590 -21.179 15.248 163 HB3 ASN 33 HB3 ASN 33 12.218 -22.306 14.058 164 HD21 ASN 33 HD21 ASN 33 14.456 -22.338 13.693 165 HD22 ASN 33 HD22 ASN 33 15.587 -21.655 14.825 166 H LEU 34 H LEU 34 11.354 -19.517 11.034 167 HA LEU 34 HA LEU 34 13.377 -21.133 9.708 168 HB2 LEU 34 HB2 LEU 34 10.567 -20.439 8.888 169 HB3 LEU 34 HB3 LEU 34 11.736 -20.916 7.681 170 HG LEU 34 HG LEU 34 10.632 -22.503 9.996 171 HD11 LEU 34 HD11 LEU 34 10.514 -22.933 7.023 172 HD12 LEU 34 HD12 LEU 34 9.194 -22.387 8.059 173 HD13 LEU 34 HD13 LEU 34 9.850 -24.013 8.248 174 HD21 LEU 34 HD21 LEU 34 12.981 -23.067 9.866 175 HD22 LEU 34 HD22 LEU 34 12.866 -23.250 8.123 176 HD23 LEU 34 HD23 LEU 34 12.032 -24.390 9.181 177 H THR 35 H THR 35 13.842 -20.191 7.433 178 HA THR 35 HA THR 35 14.302 -17.336 7.808 179 HB THR 35 HB THR 35 16.403 -17.719 6.445 180 HG1 THR 35 HG1 THR 35 16.808 -20.255 6.938 181 HG21 THR 35 HG21 THR 35 16.200 -19.288 9.018 182 HG22 THR 35 HG22 THR 35 16.512 -17.555 8.901 183 HG23 THR 35 HG23 THR 35 17.701 -18.711 8.292 184 HA PRO 36 HA PRO 36 12.179 -16.569 3.987 185 HB2 PRO 36 HB2 PRO 36 14.523 -15.117 2.897 186 HB3 PRO 36 HB3 PRO 36 12.874 -14.529 3.188 187 HG2 PRO 36 HG2 PRO 36 14.857 -13.765 4.749 188 HG3 PRO 36 HG3 PRO 36 13.246 -14.099 5.410 189 HD2 PRO 36 HD2 PRO 36 15.709 -15.769 5.539 190 HD3 PRO 36 HD3 PRO 36 14.452 -15.503 6.764 191 H GLN 37 H GLN 37 15.328 -17.993 3.759 192 HA GLN 37 HA GLN 37 14.844 -18.807 0.983 193 HB2 GLN 37 HB2 GLN 37 17.339 -19.009 2.679 194 HB3 GLN 37 HB3 GLN 37 17.212 -19.587 1.025 195 HG2 GLN 37 HG2 GLN 37 16.802 -17.318 0.244 196 HG3 GLN 37 HG3 GLN 37 16.866 -16.725 1.901 197 HE21 GLN 37 HE21 GLN 37 18.586 -15.347 1.422 198 HE22 GLN 37 HE22 GLN 37 20.184 -15.967 1.157 199 H GLN 38 H GLN 38 14.099 -19.935 3.953 200 HA GLN 38 HA GLN 38 14.390 -22.706 3.136 201 HB2 GLN 38 HB2 GLN 38 15.518 -22.114 5.222 202 HB3 GLN 38 HB3 GLN 38 14.034 -21.414 5.837 203 HG2 GLN 38 HG2 GLN 38 14.421 -23.536 6.823 204 HG3 GLN 38 HG3 GLN 38 12.988 -23.541 5.775 205 HE21 GLN 38 HE21 GLN 38 16.232 -23.719 4.446 206 HE22 GLN 38 HE22 GLN 38 16.097 -25.367 3.944 207 H LEU 39 H LEU 39 12.271 -20.244 4.570 208 HA LEU 39 HA LEU 39 9.967 -21.896 3.948 209 HB2 LEU 39 HB2 LEU 39 10.277 -20.652 6.202 210 HB3 LEU 39 HB3 LEU 39 9.993 -19.185 5.301 211 HG LEU 39 HG LEU 39 8.010 -21.449 5.666 212 HD11 LEU 39 HD11 LEU 39 8.489 -20.280 7.740 213 HD12 LEU 39 HD12 LEU 39 6.861 -19.925 7.160 214 HD13 LEU 39 HD13 LEU 39 8.148 -18.739 6.953 215 HD21 LEU 39 HD21 LEU 39 6.358 -19.875 4.795 216 HD22 LEU 39 HD22 LEU 39 7.641 -20.188 3.611 217 HD23 LEU 39 HD23 LEU 39 7.647 -18.688 4.542 218 H HIS 40 H HIS 40 10.177 -21.715 1.740 219 HA HIS 40 HA HIS 40 9.986 -19.112 0.540 220 HB2 HIS 40 HB2 HIS 40 11.278 -21.026 -0.500 221 HB3 HIS 40 HB3 HIS 40 9.747 -21.849 -0.749 222 HD1 HIS 40 HD1 HIS 40 8.914 -21.596 -2.985 223 HD2 HIS 40 HD2 HIS 40 11.163 -18.319 -1.856 224 HE1 HIS 40 HE1 HIS 40 8.938 -20.021 -5.004 225 H GLU 41 H GLU 41 8.042 -18.856 -1.089 226 HA GLU 41 HA GLU 41 5.882 -19.003 0.743 227 HB2 GLU 41 HB2 GLU 41 4.642 -17.552 -0.788 228 HB3 GLU 41 HB3 GLU 41 6.198 -16.922 -0.290 229 HG2 GLU 41 HG2 GLU 41 7.120 -17.630 -2.473 230 HG3 GLU 41 HG3 GLU 41 5.492 -18.112 -2.961 231 H GLU 42 H GLU 42 6.649 -20.990 -1.949 232 HA GLU 42 HA GLU 42 3.868 -21.814 -2.062 233 HB2 GLU 42 HB2 GLU 42 4.725 -23.397 -3.925 234 HB3 GLU 42 HB3 GLU 42 4.593 -21.685 -4.269 235 HG2 GLU 42 HG2 GLU 42 6.620 -22.707 -5.187 236 HG3 GLU 42 HG3 GLU 42 6.960 -21.409 -4.042 237 H SER 43 H SER 43 6.446 -22.480 -0.269 238 HA SER 43 HA SER 43 6.317 -25.274 -0.054 239 HB2 SER 43 HB2 SER 43 7.301 -23.216 1.928 240 HB3 SER 43 HB3 SER 43 7.756 -24.922 1.860 241 HG SER 43 HG SER 43 8.203 -23.706 -0.557 242 H ASN 44 H ASN 44 5.054 -26.497 1.209 243 HA ASN 44 HA ASN 44 2.562 -25.521 2.183 244 HB2 ASN 44 HB2 ASN 44 3.306 -28.098 1.561 245 HB3 ASN 44 HB3 ASN 44 3.780 -27.993 3.189 246 HD21 ASN 44 HD21 ASN 44 0.883 -27.809 1.238 247 HD22 ASN 44 HD22 ASN 44 -0.168 -28.168 2.559 248 H LEU 45 H LEU 45 2.113 -24.643 4.128 249 HA LEU 45 HA LEU 45 4.249 -24.198 5.961 250 HB2 LEU 45 HB2 LEU 45 1.325 -23.614 6.311 251 HB3 LEU 45 HB3 LEU 45 2.625 -23.000 7.313 252 HG LEU 45 HG LEU 45 2.169 -22.416 4.425 253 HD11 LEU 45 HD11 LEU 45 1.982 -20.685 6.885 254 HD12 LEU 45 HD12 LEU 45 0.602 -21.296 5.964 255 HD13 LEU 45 HD13 LEU 45 1.711 -20.125 5.235 256 HD21 LEU 45 HD21 LEU 45 4.328 -21.422 6.293 257 HD22 LEU 45 HD22 LEU 45 4.024 -20.776 4.678 258 HD23 LEU 45 HD23 LEU 45 4.551 -22.447 4.876 259 H ILE 46 H ILE 46 1.555 -26.372 5.890 260 HA ILE 46 HA ILE 46 1.748 -27.212 8.599 261 HB ILE 46 HB ILE 46 0.688 -28.803 6.227 262 HG12 ILE 46 HG12 ILE 46 -0.756 -27.039 8.230 263 HG13 ILE 46 HG11 ILE 46 -0.492 -26.674 6.531 264 HG21 ILE 46 HG21 ILE 46 1.202 -30.253 8.132 265 HG22 ILE 46 HG22 ILE 46 -0.543 -30.124 7.906 266 HG23 ILE 46 HG23 ILE 46 0.248 -29.215 9.194 267 HD11 ILE 46 HD11 ILE 46 -2.174 -28.929 7.612 268 HD12 ILE 46 HD12 ILE 46 -1.915 -28.564 5.906 269 HD13 ILE 46 HD13 ILE 46 -2.772 -27.414 6.935 270 H GLN 47 H GLN 47 3.130 -28.337 5.635 271 HA GLN 47 HA GLN 47 4.659 -30.485 6.710 272 HB2 GLN 47 HB2 GLN 47 4.970 -28.896 4.185 273 HB3 GLN 47 HB3 GLN 47 5.862 -30.327 4.417 274 HG2 GLN 47 HG2 GLN 47 2.874 -30.120 4.190 275 HG3 GLN 47 HG3 GLN 47 3.992 -30.838 3.034 276 HE21 GLN 47 HE21 GLN 47 4.897 -32.866 3.513 277 HE22 GLN 47 HE22 GLN 47 4.190 -33.887 4.722 278 H ALA 48 H ALA 48 5.002 -27.159 6.973 279 HA ALA 48 HA ALA 48 7.896 -27.292 7.377 280 HB1 ALA 48 HB1 ALA 48 7.878 -24.852 7.206 281 HB2 ALA 48 HB2 ALA 48 6.122 -24.860 7.059 282 HB3 ALA 48 HB3 ALA 48 7.114 -25.578 5.794 283 H GLY 49 H GLY 49 5.192 -27.702 9.161 284 HA2 GLY 49 HA2 GLY 49 5.534 -28.094 11.525 285 HA3 GLY 49 HA3 GLY 49 6.602 -26.706 11.551 286 H LEU 50 H LEU 50 3.922 -25.896 9.738 287 HA LEU 50 HA LEU 50 2.689 -24.581 12.059 288 HB2 LEU 50 HB2 LEU 50 3.385 -23.139 10.161 289 HB3 LEU 50 HB3 LEU 50 2.368 -24.074 9.094 290 HG LEU 50 HG LEU 50 1.080 -22.655 11.405 291 HD11 LEU 50 HD11 LEU 50 0.844 -20.666 9.978 292 HD12 LEU 50 HD12 LEU 50 1.962 -21.391 8.816 293 HD13 LEU 50 HD13 LEU 50 2.514 -20.972 10.438 294 HD21 LEU 50 HD21 LEU 50 0.238 -23.173 8.552 295 HD22 LEU 50 HD22 LEU 50 -0.753 -22.442 9.816 296 HD23 LEU 50 HD23 LEU 50 -0.245 -24.126 9.955 297 H ASP 51 H ASP 51 1.344 -25.622 13.012 298 HA ASP 51 HA ASP 51 -0.134 -27.821 12.102 299 HB2 ASP 51 HB2 ASP 51 -1.217 -27.494 14.372 300 HB3 ASP 51 HB3 ASP 51 0.536 -27.702 14.367 301 HA 4HH 52 HA 4HH 52 -3.827 -25.906 10.994 302 H 4HH 52 H 4HH 52 -2.664 -27.533 13.137 303 HB3 4HH 52 HB3 4HH 52 -4.421 -28.371 11.085 304 HB2 4HH 52 HB2 4HH 52 -5.821 -27.343 11.369 305 HJ3 4HH 52 HJ3 4HH 52 -7.075 -26.773 12.890 306 HJ2 4HH 52 HJ2 4HH 52 -7.493 -27.456 14.458 307 HL13 4HH 52 HL13 4HH 52 -9.130 -26.740 11.112 308 HL12 4HH 52 HL12 4HH 52 -9.439 -28.395 11.501 309 HL11 4HH 52 HL11 4HH 52 -10.704 -27.134 11.678 310 HL21 4HH 52 HL21 4HH 52 -8.700 -25.128 12.546 311 HL23 4HH 52 HL23 4HH 52 -10.220 -25.138 13.332 312 HL22 4HH 52 HL22 4HH 52 -8.683 -25.195 14.275 313 HL3 4HH 52 HL3 4HH 52 -9.890 -28.874 13.960 314 HM 4HH 52 HM 4HH 52 -10.112 -28.120 16.186 315 HN 4HH 52 HN 4HH 52 -12.363 -26.723 12.715 316 HO2 4HH 52 HO2 4HH 52 -11.555 -25.094 14.957 317 HO3 4HH 52 HO3 4HH 52 -13.283 -25.518 15.046 318 HP3 4HH 52 HP3 4HH 52 -11.905 -24.000 12.800 319 HP2 4HH 52 HP2 4HH 52 -13.598 -24.431 12.885 320 HS2 4HH 52 HS2 4HH 52 -14.035 -21.740 12.115 321 HS3 4HH 52 HS3 4HH 52 -14.276 -20.471 13.354 322 HT3 4HH 52 HT3 4HH 52 -12.051 -20.691 11.310 323 HT2 4HH 52 HT2 4HH 52 -12.240 -19.387 12.484 324 HR 4HH 52 HR 4HH 52 -11.798 -21.430 13.857 325 HU 4HH 52 HU 4HH 52 -14.641 -18.490 11.454 326 H ILE 53 H ILE 53 -3.114 -25.863 14.148 327 HA ILE 53 HA ILE 53 -5.425 -24.403 15.075 328 HB ILE 53 HB ILE 53 -2.752 -24.881 16.427 329 HG12 ILE 53 HG12 ILE 53 -3.964 -26.969 16.121 330 HG13 ILE 53 HG11 ILE 53 -3.993 -26.492 17.814 331 HG21 ILE 53 HG21 ILE 53 -3.852 -24.154 18.506 332 HG22 ILE 53 HG22 ILE 53 -5.304 -23.754 17.589 333 HG23 ILE 53 HG23 ILE 53 -3.810 -22.864 17.302 334 HD11 ILE 53 HD11 ILE 53 -6.263 -26.171 15.858 335 HD12 ILE 53 HD12 ILE 53 -6.286 -25.689 17.553 336 HD13 ILE 53 HD13 ILE 53 -6.138 -27.393 17.123 337 H ARG 54 H ARG 54 -1.986 -23.825 14.461 338 HA ARG 54 HA ARG 54 -1.937 -21.055 14.553 339 HB2 ARG 54 HB2 ARG 54 -0.436 -23.074 13.031 340 HB3 ARG 54 HB3 ARG 54 -0.172 -21.353 12.776 341 HG2 ARG 54 HG2 ARG 54 0.275 -21.120 15.158 342 HG3 ARG 54 HG3 ARG 54 0.127 -22.886 15.309 343 HD2 ARG 54 HD2 ARG 54 1.817 -23.217 13.720 344 HD3 ARG 54 HD3 ARG 54 1.788 -21.471 13.401 345 HE ARG 54 HE ARG 54 2.811 -21.064 15.459 346 HH11 ARG 54 HH11 ARG 54 2.543 -24.532 15.032 347 HH12 ARG 54 HH12 ARG 54 4.116 -24.946 15.478 348 HH21 ARG 54 HH21 ARG 54 5.035 -21.530 16.201 349 HH22 ARG 54 HH22 ARG 54 5.617 -23.134 16.239 350 H LEU 55 H LEU 55 -2.719 -23.245 11.937 351 HA LEU 55 HA LEU 55 -3.054 -21.457 9.805 352 HB2 LEU 55 HB2 LEU 55 -3.066 -24.061 9.940 353 HB3 LEU 55 HB3 LEU 55 -4.766 -23.898 10.290 354 HG LEU 55 HG LEU 55 -4.398 -24.525 7.978 355 HD11 LEU 55 HD11 LEU 55 -5.355 -21.694 8.127 356 HD12 LEU 55 HD12 LEU 55 -6.326 -23.145 8.403 357 HD13 LEU 55 HD13 LEU 55 -5.647 -22.826 6.802 358 HD21 LEU 55 HD21 LEU 55 -2.199 -23.638 7.669 359 HD22 LEU 55 HD22 LEU 55 -2.821 -21.988 7.763 360 HD23 LEU 55 HD23 LEU 55 -3.293 -23.035 6.418 361 H MET 56 H MET 56 -5.490 -22.676 12.097 362 HA MET 56 HA MET 56 -7.562 -21.044 11.030 363 HB2 MET 56 HB2 MET 56 -7.942 -23.168 12.233 364 HB3 MET 56 HB3 MET 56 -7.413 -22.415 13.719 365 HG2 MET 56 HG2 MET 56 -9.797 -21.428 12.157 366 HG3 MET 56 HG3 MET 56 -9.929 -22.684 13.386 367 HE1 MET 56 HE1 MET 56 -7.519 -21.020 15.286 368 HE2 MET 56 HE2 MET 56 -8.758 -22.204 15.706 369 HE3 MET 56 HE3 MET 56 -8.732 -20.613 16.518 370 H ARG 57 H ARG 57 -5.332 -20.716 13.694 371 HA ARG 57 HA ARG 57 -6.261 -18.430 14.943 372 HB2 ARG 57 HB2 ARG 57 -4.416 -19.856 15.611 373 HB3 ARG 57 HB3 ARG 57 -3.482 -19.094 14.322 374 HG2 ARG 57 HG2 ARG 57 -3.969 -16.897 15.387 375 HG3 ARG 57 HG3 ARG 57 -4.591 -17.803 16.779 376 HD2 ARG 57 HD2 ARG 57 -2.344 -17.353 17.190 377 HD3 ARG 57 HD3 ARG 57 -2.651 -19.069 16.736 378 HE ARG 57 HE ARG 57 -2.035 -17.662 14.424 379 HH11 ARG 57 HH11 ARG 57 -0.174 -18.844 17.242 380 HH12 ARG 57 HH12 ARG 57 1.255 -18.971 16.282 381 HH21 ARG 57 HH21 ARG 57 -0.032 -17.910 13.259 382 HH22 ARG 57 HH22 ARG 57 1.336 -18.453 14.089 383 H TRP 58 H TRP 58 -4.292 -18.893 12.036 384 HA TRP 58 HA TRP 58 -3.750 -16.181 11.564 385 HB2 TRP 58 HB2 TRP 58 -3.431 -18.683 10.006 386 HB3 TRP 58 HB3 TRP 58 -3.300 -17.190 9.109 387 HD1 TRP 58 HD1 TRP 58 -1.127 -19.564 10.600 388 HE1 TRP 58 HE1 TRP 58 1.117 -18.511 11.418 389 HE3 TRP 58 HE3 TRP 58 -2.470 -14.639 10.580 390 HZ2 TRP 58 HZ2 TRP 58 2.153 -15.892 11.945 391 HZ3 TRP 58 HZ3 TRP 58 -0.825 -12.947 11.245 392 HH2 TRP 58 HH2 TRP 58 1.427 -13.570 11.915 393 H LEU 59 H LEU 59 -6.445 -18.189 10.761 394 HA LEU 59 HA LEU 59 -7.546 -16.349 8.891 395 HB2 LEU 59 HB2 LEU 59 -8.201 -18.723 9.007 396 HB3 LEU 59 HB3 LEU 59 -8.964 -18.409 10.553 397 HG LEU 59 HG LEU 59 -10.597 -16.951 9.518 398 HD11 LEU 59 HD11 LEU 59 -9.095 -17.533 6.958 399 HD12 LEU 59 HD12 LEU 59 -9.232 -15.958 7.755 400 HD13 LEU 59 HD13 LEU 59 -10.654 -16.725 7.061 401 HD21 LEU 59 HD21 LEU 59 -10.175 -19.428 7.968 402 HD22 LEU 59 HD22 LEU 59 -11.714 -18.570 8.153 403 HD23 LEU 59 HD23 LEU 59 -10.949 -19.364 9.553 404 H HIS 60 H HIS 60 -7.611 -16.750 12.330 405 HA HIS 60 HA HIS 60 -9.485 -14.710 12.893 406 HB2 HIS 60 HB2 HIS 60 -7.357 -15.995 14.596 407 HB3 HIS 60 HB3 HIS 60 -8.260 -14.605 15.190 408 HD1 HIS 60 HD1 HIS 60 -8.534 -17.425 16.558 409 HD2 HIS 60 HD2 HIS 60 -11.003 -15.868 13.640 410 HE1 HIS 60 HE1 HIS 60 -10.757 -18.569 16.867 411 H TRP 61 H TRP 61 -6.322 -14.591 11.808 412 HA TRP 61 HA TRP 61 -6.011 -11.796 12.446 413 HB2 TRP 61 HB2 TRP 61 -4.011 -13.241 12.309 414 HB3 TRP 61 HB3 TRP 61 -4.420 -13.658 10.655 415 HD1 TRP 61 HD1 TRP 61 -3.443 -10.470 12.663 416 HE1 TRP 61 HE1 TRP 61 -1.973 -9.002 11.109 417 HE3 TRP 61 HE3 TRP 61 -3.637 -13.282 8.395 418 HZ2 TRP 61 HZ2 TRP 61 -1.031 -9.037 8.484 419 HZ3 TRP 61 HZ3 TRP 61 -2.420 -12.490 6.411 420 HH2 TRP 61 HH2 TRP 61 -1.148 -10.408 6.456 421 H PHE 62 H PHE 62 -6.297 -13.729 9.468 422 HA PHE 62 HA PHE 62 -6.707 -11.752 7.618 423 HB2 PHE 62 HB2 PHE 62 -7.751 -14.545 7.696 424 HB3 PHE 62 HB3 PHE 62 -8.099 -13.484 6.344 425 HD1 PHE 62 HD2 PHE 62 -6.006 -12.377 5.248 426 HD2 PHE 62 HD1 PHE 62 -5.892 -15.883 7.644 427 HE1 PHE 62 HE2 PHE 62 -3.891 -13.035 4.189 428 HE2 PHE 62 HE1 PHE 62 -3.786 -16.543 6.587 429 HZ PHE 62 HZ PHE 62 -2.787 -15.122 4.851 430 H ARG 63 H ARG 63 -9.416 -13.448 9.266 431 HA ARG 63 HA ARG 63 -11.433 -11.959 7.930 432 HB2 ARG 63 HB2 ARG 63 -11.492 -13.569 10.428 433 HB3 ARG 63 HB3 ARG 63 -12.901 -12.703 9.826 434 HG2 ARG 63 HG2 ARG 63 -12.424 -13.923 7.613 435 HG3 ARG 63 HG3 ARG 63 -11.442 -15.002 8.612 436 HD2 ARG 63 HD2 ARG 63 -13.314 -15.445 10.034 437 HD3 ARG 63 HD3 ARG 63 -14.222 -14.210 9.131 438 HE ARG 63 HE ARG 63 -13.319 -16.202 7.365 439 HH11 ARG 63 HH11 ARG 63 -15.766 -15.830 9.875 440 HH12 ARG 63 HH12 ARG 63 -16.910 -16.870 9.154 441 HH21 ARG 63 HH21 ARG 63 -14.861 -17.604 6.314 442 HH22 ARG 63 HH22 ARG 63 -16.362 -17.919 7.019 443 H LYS 64 H LYS 64 -9.512 -11.258 10.587 444 HA LYS 64 HA LYS 64 -11.231 -9.274 11.791 445 HB2 LYS 64 HB2 LYS 64 -9.624 -10.913 12.873 446 HB3 LYS 64 HB3 LYS 64 -8.362 -9.910 12.206 447 HG2 LYS 64 HG2 LYS 64 -8.961 -8.086 13.622 448 HG3 LYS 64 HG3 LYS 64 -10.418 -8.935 14.176 449 HD2 LYS 64 HD2 LYS 64 -8.730 -9.276 15.857 450 HD3 LYS 64 HD3 LYS 64 -8.957 -10.783 14.960 451 HE2 LYS 64 HE2 LYS 64 -6.973 -9.962 13.487 452 HE3 LYS 64 HE3 LYS 64 -6.664 -8.851 14.816 453 HZ1 LYS 64 HZ1 LYS 64 -6.508 -10.757 16.299 454 HZ2 LYS 64 HZ2 LYS 64 -5.401 -10.874 15.003 455 HZ3 LYS 64 HZ3 LYS 64 -6.842 -11.766 14.971 456 H ASN 65 H ASN 65 -8.647 -9.550 9.503 457 HA ASN 65 HA ASN 65 -8.099 -6.716 9.326 458 HB2 ASN 65 HB2 ASN 65 -7.071 -9.142 7.824 459 HB3 ASN 65 HB3 ASN 65 -6.653 -7.506 7.343 460 HD21 ASN 65 HD21 ASN 65 -4.416 -8.033 7.687 461 HD22 ASN 65 HD22 ASN 65 -3.787 -8.093 9.257 462 H GLY 66 H GLY 66 -10.578 -8.552 8.433 463 HA2 GLY 66 HA2 GLY 66 -12.409 -7.736 7.174 464 HA3 GLY 66 HA3 GLY 66 -11.297 -6.721 6.273 465 H TYR 67 H TYR 67 -10.201 -9.910 6.559 466 HA TYR 67 HA TYR 67 -10.798 -10.305 3.765 467 HB2 TYR 67 HB2 TYR 67 -8.960 -11.703 5.653 468 HB3 TYR 67 HB3 TYR 67 -9.344 -12.389 4.073 469 HD1 TYR 67 HD1 TYR 67 -7.807 -9.523 5.809 470 HD2 TYR 67 HD2 TYR 67 -8.456 -11.494 2.110 471 HE1 TYR 67 HE1 TYR 67 -6.133 -8.068 4.743 472 HE2 TYR 67 HE2 TYR 67 -6.808 -10.080 1.040 473 HH TYR 67 HH TYR 67 -4.719 -8.028 2.826 474 H ARG 68 H ARG 68 -12.377 -11.332 3.043 475 HA ARG 68 HA ARG 68 -13.919 -13.043 4.765 476 HB2 ARG 68 HB2 ARG 68 -14.395 -12.123 1.934 477 HB3 ARG 68 HB3 ARG 68 -15.537 -13.113 2.801 478 HG2 ARG 68 HG2 ARG 68 -16.487 -11.276 3.561 479 HG3 ARG 68 HG3 ARG 68 -15.009 -10.899 4.444 480 HD2 ARG 68 HD2 ARG 68 -15.446 -10.255 1.572 481 HD3 ARG 68 HD3 ARG 68 -15.812 -9.098 2.858 482 HE ARG 68 HE ARG 68 -13.430 -9.098 3.405 483 HH11 ARG 68 HH11 ARG 68 -14.260 -10.407 0.218 484 HH12 ARG 68 HH12 ARG 68 -12.755 -10.140 -0.475 485 HH21 ARG 68 HH21 ARG 68 -11.346 -8.685 2.486 486 HH22 ARG 68 HH22 ARG 68 -10.987 -9.114 0.877 487 H LEU 69 H LEU 69 -12.139 -14.404 4.920 488 HA LEU 69 HA LEU 69 -11.869 -16.432 2.794 489 HB2 LEU 69 HB2 LEU 69 -10.018 -15.533 5.002 490 HB3 LEU 69 HB3 LEU 69 -9.785 -17.032 4.137 491 HG LEU 69 HG LEU 69 -9.840 -14.380 2.699 492 HD11 LEU 69 HD11 LEU 69 -8.089 -14.287 4.408 493 HD12 LEU 69 HD12 LEU 69 -7.388 -14.459 2.800 494 HD13 LEU 69 HD13 LEU 69 -7.480 -15.850 3.879 495 HD21 LEU 69 HD21 LEU 69 -8.541 -15.637 1.081 496 HD22 LEU 69 HD22 LEU 69 -10.121 -16.374 1.355 497 HD23 LEU 69 HD23 LEU 69 -8.676 -17.083 2.080 498 H THR 70 H THR 70 -12.191 -18.601 3.475 499 HA THR 70 HA THR 70 -13.049 -18.845 6.232 500 HB THR 70 HB THR 70 -13.932 -20.488 3.842 501 HG1 THR 70 HG1 THR 70 -14.857 -18.608 3.555 502 HG21 THR 70 HG21 THR 70 -15.706 -21.262 5.330 503 HG22 THR 70 HG22 THR 70 -15.006 -20.333 6.672 504 HG23 THR 70 HG23 THR 70 -14.109 -21.678 5.937 505 H LEU 71 H LEU 71 -12.579 -21.001 7.144 506 HA LEU 71 HA LEU 71 -9.860 -21.395 7.211 507 HB2 LEU 71 HB2 LEU 71 -11.485 -22.060 9.036 508 HB3 LEU 71 HB3 LEU 71 -11.918 -23.428 8.042 509 HG LEU 71 HG LEU 71 -9.684 -24.342 8.324 510 HD11 LEU 71 HD11 LEU 71 -8.417 -22.238 8.442 511 HD12 LEU 71 HD12 LEU 71 -8.110 -23.246 9.863 512 HD13 LEU 71 HD13 LEU 71 -9.193 -21.874 9.984 513 HD21 LEU 71 HD21 LEU 71 -10.910 -23.411 10.911 514 HD22 LEU 71 HD22 LEU 71 -9.799 -24.753 10.721 515 HD23 LEU 71 HD23 LEU 71 -11.410 -24.836 9.996 516 H ARG 72 H ARG 72 -12.230 -23.148 5.335 517 HA ARG 72 HA ARG 72 -10.643 -25.444 4.847 518 HB2 ARG 72 HB2 ARG 72 -12.716 -24.425 2.895 519 HB3 ARG 72 HB3 ARG 72 -12.056 -26.022 2.959 520 HG2 ARG 72 HG2 ARG 72 -14.172 -26.263 3.730 521 HG3 ARG 72 HG3 ARG 72 -13.182 -26.247 5.194 522 HD2 ARG 72 HD2 ARG 72 -15.166 -24.846 5.381 523 HD3 ARG 72 HD3 ARG 72 -13.547 -24.077 5.496 524 HE ARG 72 HE ARG 72 -13.838 -23.068 3.356 525 HH11 ARG 72 HH11 ARG 72 -16.874 -24.547 4.449 526 HH12 ARG 72 HH12 ARG 72 -17.838 -23.572 3.442 527 HH21 ARG 72 HH21 ARG 72 -15.051 -21.796 2.094 528 HH22 ARG 72 HH22 ARG 72 -16.757 -21.904 2.000 529 H GLU 73 H GLU 73 -11.106 -22.408 3.066 530 HA GLU 73 HA GLU 73 -9.737 -23.145 0.754 531 HB2 GLU 73 HB2 GLU 73 -10.095 -20.360 1.869 532 HB3 GLU 73 HB3 GLU 73 -9.622 -20.750 0.226 533 HG2 GLU 73 HG2 GLU 73 -11.873 -20.392 -0.126 534 HG3 GLU 73 HG3 GLU 73 -11.929 -22.097 0.320 535 H LEU 74 H LEU 74 -8.576 -21.688 3.726 536 HA LEU 74 HA LEU 74 -5.905 -21.297 2.689 537 HB2 LEU 74 HB2 LEU 74 -6.806 -21.327 5.559 538 HB3 LEU 74 HB3 LEU 74 -5.280 -20.736 4.955 539 HG LEU 74 HG LEU 74 -7.987 -19.524 4.657 540 HD11 LEU 74 HD11 LEU 74 -5.412 -18.595 5.813 541 HD12 LEU 74 HD12 LEU 74 -6.819 -19.151 6.748 542 HD13 LEU 74 HD13 LEU 74 -6.903 -17.652 5.793 543 HD21 LEU 74 HD21 LEU 74 -5.414 -18.684 3.380 544 HD22 LEU 74 HD22 LEU 74 -6.918 -17.741 3.402 545 HD23 LEU 74 HD23 LEU 74 -6.850 -19.286 2.538 546 H TYR 75 H TYR 75 -7.695 -23.666 4.288 547 HA TYR 75 HA TYR 75 -5.632 -25.134 5.574 548 HB2 TYR 75 HB2 TYR 75 -8.170 -24.903 6.051 549 HB3 TYR 75 HB3 TYR 75 -8.368 -26.198 4.865 550 HD1 TYR 75 HD1 TYR 75 -5.557 -27.302 6.218 551 HD2 TYR 75 HD2 TYR 75 -9.435 -26.093 7.350 552 HE1 TYR 75 HE1 TYR 75 -5.394 -28.699 8.220 553 HE2 TYR 75 HE2 TYR 75 -9.396 -27.356 9.242 554 HH TYR 75 HH TYR 75 -8.063 -29.395 10.263 555 H ALA 76 H ALA 76 -7.450 -25.368 2.557 556 HA ALA 76 HA ALA 76 -6.480 -27.885 1.723 557 HB1 ALA 76 HB1 ALA 76 -7.405 -27.310 -0.461 558 HB2 ALA 76 HB2 ALA 76 -7.567 -25.628 0.039 559 HB3 ALA 76 HB3 ALA 76 -8.531 -26.877 0.826 560 H ALA 77 H ALA 77 -5.384 -24.589 1.138 561 HA ALA 77 HA ALA 77 -2.890 -25.746 0.170 562 HB1 ALA 77 HB1 ALA 77 -2.661 -24.012 -1.532 563 HB2 ALA 77 HB2 ALA 77 -4.222 -23.334 -1.073 564 HB3 ALA 77 HB3 ALA 77 -4.137 -24.941 -1.793 565 HA PRO 78 HA PRO 78 -2.054 -22.694 3.473 566 HB2 PRO 78 HB2 PRO 78 -0.328 -24.596 4.743 567 HB3 PRO 78 HB3 PRO 78 -1.907 -24.042 5.323 568 HG2 PRO 78 HG2 PRO 78 -1.366 -26.597 4.479 569 HG3 PRO 78 HG3 PRO 78 -2.982 -25.867 4.567 570 HD2 PRO 78 HD2 PRO 78 -1.231 -26.293 2.206 571 HD3 PRO 78 HD3 PRO 78 -3.002 -26.354 2.338 572 H THR 79 H THR 79 -0.919 -21.645 1.836 573 HA THR 79 HA THR 79 1.963 -21.930 1.933 574 HB THR 79 HB THR 79 2.049 -21.734 -0.590 575 HG1 THR 79 HG1 THR 79 -0.709 -22.294 -0.278 576 HG21 THR 79 HG21 THR 79 2.486 -23.916 0.440 577 HG22 THR 79 HG22 THR 79 1.637 -24.108 -1.095 578 HG23 THR 79 HG23 THR 79 0.752 -24.257 0.436 579 H LEU 80 H LEU 80 2.863 -19.902 1.674 580 HA LEU 80 HA LEU 80 1.218 -17.654 1.942 581 HB2 LEU 80 HB2 LEU 80 4.106 -18.155 1.576 582 HB3 LEU 80 HB3 LEU 80 3.545 -16.537 1.193 583 HG LEU 80 HG LEU 80 2.945 -17.806 3.873 584 HD11 LEU 80 HD11 LEU 80 5.320 -16.119 3.052 585 HD12 LEU 80 HD12 LEU 80 5.404 -17.798 3.617 586 HD13 LEU 80 HD13 LEU 80 4.870 -16.508 4.704 587 HD21 LEU 80 HD21 LEU 80 1.661 -15.881 3.232 588 HD22 LEU 80 HD22 LEU 80 3.142 -14.994 2.875 589 HD23 LEU 80 HD23 LEU 80 2.788 -15.486 4.529 590 H ALA 81 H ALA 81 2.715 -19.132 -0.856 591 HA ALA 81 HA ALA 81 2.325 -17.113 -2.745 592 HB1 ALA 81 HB1 ALA 81 2.524 -18.841 -4.437 593 HB2 ALA 81 HB2 ALA 81 2.192 -20.084 -3.233 594 HB3 ALA 81 HB3 ALA 81 3.677 -19.143 -3.135 595 H ALA 82 H ALA 82 0.144 -19.862 -1.977 596 HA ALA 82 HA ALA 82 -1.847 -18.908 -3.777 597 HB1 ALA 82 HB1 ALA 82 -3.289 -20.618 -2.874 598 HB2 ALA 82 HB2 ALA 82 -2.157 -20.920 -1.552 599 HB3 ALA 82 HB3 ALA 82 -1.695 -21.292 -3.219 600 H TRP 83 H TRP 83 -1.254 -18.587 -0.335 601 HA TRP 83 HA TRP 83 -3.708 -17.428 0.322 602 HB2 TRP 83 HB2 TRP 83 -1.002 -17.248 1.576 603 HB3 TRP 83 HB3 TRP 83 -2.361 -16.328 2.204 604 HD1 TRP 83 HD1 TRP 83 -3.454 -19.712 0.996 605 HE1 TRP 83 HE1 TRP 83 -3.803 -21.258 2.979 606 HE3 TRP 83 HE3 TRP 83 -1.339 -16.843 4.458 607 HZ2 TRP 83 HZ2 TRP 83 -3.328 -21.205 5.736 608 HZ3 TRP 83 HZ3 TRP 83 -1.293 -17.618 6.866 609 HH2 TRP 83 HH2 TRP 83 -2.277 -19.785 7.464 610 H ASN 84 H ASN 84 -0.692 -15.943 -0.646 611 HA ASN 84 HA ASN 84 -1.371 -13.256 -0.694 612 HB2 ASN 84 HB2 ASN 84 0.858 -14.152 -1.366 613 HB3 ASN 84 HB3 ASN 84 0.160 -14.698 -2.883 614 HD21 ASN 84 HD21 ASN 84 1.645 -13.414 -4.023 615 HD22 ASN 84 HD22 ASN 84 1.442 -11.694 -4.118 616 H GLN 85 H GLN 85 -2.014 -15.641 -3.232 617 HA GLN 85 HA GLN 85 -3.462 -13.957 -4.972 618 HB2 GLN 85 HB2 GLN 85 -2.578 -16.144 -5.672 619 HB3 GLN 85 HB3 GLN 85 -3.665 -16.958 -4.562 620 HG2 GLN 85 HG2 GLN 85 -5.584 -16.106 -5.836 621 HG3 GLN 85 HG3 GLN 85 -4.476 -15.327 -6.962 622 HE21 GLN 85 HE21 GLN 85 -5.246 -16.512 -8.687 623 HE22 GLN 85 HE22 GLN 85 -4.883 -18.199 -8.870 624 H LEU 86 H LEU 86 -4.483 -16.149 -2.411 625 HA LEU 86 HA LEU 86 -7.245 -15.713 -2.565 626 HB2 LEU 86 HB2 LEU 86 -5.570 -16.579 -0.230 627 HB3 LEU 86 HB3 LEU 86 -7.317 -16.631 -0.275 628 HG LEU 86 HG LEU 86 -5.484 -18.208 -2.084 629 HD11 LEU 86 HD11 LEU 86 -5.429 -18.956 0.220 630 HD12 LEU 86 HD12 LEU 86 -6.262 -20.123 -0.817 631 HD13 LEU 86 HD13 LEU 86 -7.193 -19.035 0.227 632 HD21 LEU 86 HD21 LEU 86 -8.483 -18.258 -1.773 633 HD22 LEU 86 HD22 LEU 86 -7.530 -19.392 -2.723 634 HD23 LEU 86 HD23 LEU 86 -7.595 -17.693 -3.195 635 H MET 87 H MET 87 -4.816 -13.644 -1.383 636 HA MET 87 HA MET 87 -6.567 -12.313 0.489 637 HB2 MET 87 HB2 MET 87 -3.745 -11.776 -0.404 638 HB3 MET 87 HB3 MET 87 -4.573 -10.678 0.678 639 HG2 MET 87 HG2 MET 87 -4.883 -12.593 2.251 640 HG3 MET 87 HG3 MET 87 -3.938 -13.590 1.155 641 HE1 MET 87 HE1 MET 87 -3.448 -9.823 2.330 642 HE2 MET 87 HE2 MET 87 -2.303 -10.069 3.648 643 HE3 MET 87 HE3 MET 87 -3.941 -10.709 3.773 644 H LEU 88 H LEU 88 -4.996 -11.682 -2.528 645 HA LEU 88 HA LEU 88 -6.270 -9.142 -2.852 646 HB2 LEU 88 HB2 LEU 88 -4.159 -8.997 -3.580 647 HB3 LEU 88 HB3 LEU 88 -4.041 -10.701 -3.946 648 HG LEU 88 HG LEU 88 -5.294 -10.298 -5.891 649 HD11 LEU 88 HD11 LEU 88 -4.810 -7.341 -5.219 650 HD12 LEU 88 HD12 LEU 88 -6.364 -8.156 -5.466 651 HD13 LEU 88 HD13 LEU 88 -5.289 -7.884 -6.831 652 HD21 LEU 88 HD21 LEU 88 -2.949 -10.573 -6.035 653 HD22 LEU 88 HD22 LEU 88 -2.673 -8.863 -5.655 654 HD23 LEU 88 HD23 LEU 88 -3.393 -9.316 -7.197 655 H SER 89 H SER 89 -6.474 -12.316 -4.525 656 HA SER 89 HA SER 89 -8.071 -11.224 -6.581 657 HB2 SER 89 HB2 SER 89 -7.509 -14.105 -5.912 658 HB3 SER 89 HB3 SER 89 -8.177 -13.505 -7.434 659 HG SER 89 HG SER 89 -6.052 -12.076 -6.968 660 H ARG 90 H ARG 90 -9.124 -11.583 -3.576 661 HA ARG 90 HA ARG 90 -11.846 -12.003 -4.532 662 HB2 ARG 90 HB2 ARG 90 -12.473 -13.415 -2.601 663 HB3 ARG 90 HB3 ARG 90 -11.229 -14.182 -3.576 664 HG2 ARG 90 HG2 ARG 90 -9.575 -13.214 -1.918 665 HG3 ARG 90 HG3 ARG 90 -10.972 -12.882 -0.900 666 HD2 ARG 90 HD2 ARG 90 -10.317 -15.619 -1.989 667 HD3 ARG 90 HD3 ARG 90 -9.722 -14.981 -0.463 668 HE ARG 90 HE ARG 90 -12.388 -14.732 -0.186 669 HH11 ARG 90 HH11 ARG 90 -10.478 -17.503 -1.283 670 HH12 ARG 90 HH12 ARG 90 -11.373 -18.666 -0.409 671 HH21 ARG 90 HH21 ARG 90 -13.588 -16.356 1.067 672 HH22 ARG 90 HH22 ARG 90 -13.161 -18.016 0.985 673 H SER 91 H SER 91 -9.937 -9.791 -3.476 674 HA SER 91 HA SER 91 -11.889 -8.707 -1.605 675 HB2 SER 91 HB2 SER 91 -8.908 -8.179 -1.817 676 HB3 SER 91 HB3 SER 91 -10.004 -7.329 -0.722 677 HG SER 91 HG SER 91 -8.805 -9.690 -0.457 678 HA PRO 92 HA PRO 92 -12.525 -5.552 -4.668 679 HB2 PRO 92 HB2 PRO 92 -12.652 -3.402 -2.687 680 HB3 PRO 92 HB3 PRO 92 -13.982 -4.112 -3.624 681 HG2 PRO 92 HG2 PRO 92 -13.776 -4.454 -0.972 682 HG3 PRO 92 HG3 PRO 92 -14.470 -5.681 -2.051 683 HD2 PRO 92 HD2 PRO 92 -11.742 -5.583 -0.840 684 HD3 PRO 92 HD3 PRO 92 -12.847 -6.961 -1.037 685 H GLU 93 H GLU 93 -10.918 -4.854 -5.929 686 HA GLU 93 HA GLU 93 -8.883 -3.150 -4.817 687 HB2 GLU 93 HB2 GLU 93 -8.460 -5.621 -6.527 688 HB3 GLU 93 HB3 GLU 93 -7.228 -4.398 -6.270 689 HG2 GLU 93 HG2 GLU 93 -8.491 -5.761 -3.920 690 HG3 GLU 93 HG3 GLU 93 -7.240 -6.583 -4.832 Start of MODEL 2 1 H ASP 14 HT1 ASP 14 0.939 -9.310 -2.956 2 HA ASP 14 HA ASP 14 2.918 -7.138 -2.941 3 HB2 ASP 14 HB2 ASP 14 2.798 -7.479 -5.358 4 HB3 ASP 14 HB3 ASP 14 3.194 -9.016 -4.583 5 H ASN 15 H ASN 15 1.819 -5.757 -5.015 6 HA ASN 15 HA ASN 15 0.502 -4.034 -5.320 7 HB2 ASN 15 HB2 ASN 15 -1.314 -6.365 -5.650 8 HB3 ASN 15 HB3 ASN 15 -1.993 -4.752 -5.810 9 HD21 ASN 15 HD21 ASN 15 0.168 -7.130 -7.214 10 HD22 ASN 15 HD22 ASN 15 0.377 -6.276 -8.694 11 H ARG 16 H ARG 16 -2.391 -5.222 -3.731 12 HA ARG 16 HA ARG 16 -1.952 -3.036 -1.843 13 HB2 ARG 16 HB2 ARG 16 -4.466 -3.607 -3.353 14 HB3 ARG 16 HB3 ARG 16 -4.453 -2.562 -1.937 15 HG2 ARG 16 HG2 ARG 16 -4.355 -1.064 -3.750 16 HG3 ARG 16 HG3 ARG 16 -2.680 -1.187 -3.228 17 HD2 ARG 16 HD2 ARG 16 -2.346 -2.920 -4.988 18 HD3 ARG 16 HD3 ARG 16 -3.968 -2.572 -5.578 19 HE ARG 16 HE ARG 16 -1.937 -0.479 -5.390 20 HH11 ARG 16 HH11 ARG 16 -4.306 -2.272 -7.326 21 HH12 ARG 16 HH12 ARG 16 -4.049 -1.503 -8.756 22 HH21 ARG 16 HH21 ARG 16 -1.469 0.670 -7.461 23 HH22 ARG 16 HH22 ARG 16 -2.348 0.216 -8.858 24 H HIS 17 H HIS 17 -4.851 -5.166 -1.918 25 HA HIS 17 HA HIS 17 -4.856 -5.744 0.846 26 HB2 HIS 17 HB2 HIS 17 -5.977 -7.077 -1.568 27 HB3 HIS 17 HB3 HIS 17 -5.855 -8.078 -0.131 28 HD1 HIS 17 HD1 HIS 17 -7.718 -4.945 -1.440 29 HD2 HIS 17 HD2 HIS 17 -7.792 -7.661 1.745 30 HE1 HIS 17 HE1 HIS 17 -9.822 -4.542 -0.229 31 H ALA 18 H ALA 18 -3.316 -7.472 -1.672 32 HA ALA 18 HA ALA 18 -2.188 -9.419 -0.050 33 HB1 ALA 18 HB1 ALA 18 -0.815 -10.047 -1.942 34 HB2 ALA 18 HB2 ALA 18 -1.341 -8.592 -2.814 35 HB3 ALA 18 HB3 ALA 18 -2.511 -9.843 -2.340 36 H ALA 19 H ALA 19 -1.258 -6.158 -0.172 37 HA ALA 19 HA ALA 19 1.521 -6.645 0.498 38 HB1 ALA 19 HB1 ALA 19 1.632 -4.316 1.089 39 HB2 ALA 19 HB2 ALA 19 -0.124 -4.170 1.012 40 HB3 ALA 19 HB3 ALA 19 0.804 -4.469 -0.465 41 H ASP 20 H ASP 20 -1.455 -6.723 2.273 42 HA ASP 20 HA ASP 20 -0.241 -6.405 4.844 43 HB2 ASP 20 HB2 ASP 20 -2.692 -6.120 4.457 44 HB3 ASP 20 HB3 ASP 20 -2.808 -7.841 4.112 45 H TYR 21 H TYR 21 -0.554 -8.832 2.609 46 HA TYR 21 HA TYR 21 0.051 -11.248 3.880 47 HB2 TYR 21 HB2 TYR 21 -0.523 -11.310 1.633 48 HB3 TYR 21 HB3 TYR 21 0.639 -10.081 1.207 49 HD1 TYR 21 HD2 TYR 21 3.037 -10.714 0.737 50 HD2 TYR 21 HD1 TYR 21 0.069 -13.600 1.781 51 HE1 TYR 21 HE2 TYR 21 4.437 -12.468 -0.170 52 HE2 TYR 21 HE1 TYR 21 1.494 -15.341 0.864 53 HH TYR 21 HH TYR 21 4.756 -14.785 -0.199 54 H GLN 22 H GLN 22 2.099 -8.497 3.182 55 HA GLN 22 HA GLN 22 4.608 -9.754 3.251 56 HB2 GLN 22 HB2 GLN 22 4.190 -7.384 2.542 57 HB3 GLN 22 HB3 GLN 22 3.997 -6.973 4.248 58 HG2 GLN 22 HG2 GLN 22 6.214 -6.464 3.758 59 HG3 GLN 22 HG3 GLN 22 6.221 -8.012 4.621 60 HE21 GLN 22 HE21 GLN 22 8.062 -8.914 3.727 61 HE22 GLN 22 HE22 GLN 22 8.241 -9.251 2.045 62 H GLN 23 H GLN 23 2.664 -8.245 5.717 63 HA GLN 23 HA GLN 23 4.459 -8.563 7.817 64 HB2 GLN 23 HB2 GLN 23 1.428 -8.458 7.954 65 HB3 GLN 23 HB3 GLN 23 2.428 -8.481 9.388 66 HG2 GLN 23 HG2 GLN 23 1.676 -6.243 8.944 67 HG3 GLN 23 HG3 GLN 23 3.414 -6.331 8.700 68 HE21 GLN 23 HE21 GLN 23 0.277 -6.071 7.081 69 HE22 GLN 23 HE22 GLN 23 0.955 -5.434 5.635 70 H LEU 24 H LEU 24 1.909 -10.626 6.648 71 HA LEU 24 HA LEU 24 2.026 -12.809 8.467 72 HB2 LEU 24 HB2 LEU 24 0.204 -12.577 6.911 73 HB3 LEU 24 HB3 LEU 24 1.309 -12.646 5.552 74 HG LEU 24 HG LEU 24 1.899 -14.973 6.322 75 HD11 LEU 24 HD11 LEU 24 1.069 -14.886 8.549 76 HD12 LEU 24 HD12 LEU 24 0.270 -16.160 7.629 77 HD13 LEU 24 HD13 LEU 24 -0.578 -14.646 7.958 78 HD21 LEU 24 HD21 LEU 24 -0.943 -14.591 5.475 79 HD22 LEU 24 HD22 LEU 24 0.175 -15.974 5.185 80 HD23 LEU 24 HD23 LEU 24 0.465 -14.433 4.411 81 H ARG 25 H ARG 25 3.648 -12.235 5.435 82 HA ARG 25 HA ARG 25 4.964 -14.634 5.080 83 HB2 ARG 25 HB2 ARG 25 4.712 -12.419 3.681 84 HB3 ARG 25 HB3 ARG 25 6.265 -12.047 4.404 85 HG2 ARG 25 HG2 ARG 25 7.029 -14.293 3.514 86 HG3 ARG 25 HG3 ARG 25 5.544 -14.263 2.551 87 HD2 ARG 25 HD2 ARG 25 7.191 -13.339 1.180 88 HD3 ARG 25 HD3 ARG 25 6.238 -11.982 1.788 89 HE ARG 25 HE ARG 25 8.004 -11.542 3.401 90 HH11 ARG 25 HH11 ARG 25 8.849 -13.850 0.787 91 HH12 ARG 25 HH12 ARG 25 10.495 -13.553 0.869 92 HH21 ARG 25 HH21 ARG 25 10.272 -11.230 3.596 93 HH22 ARG 25 HH22 ARG 25 11.374 -11.980 2.535 94 H GLU 26 H GLU 26 6.321 -11.610 6.330 95 HA GLU 26 HA GLU 26 8.731 -12.490 7.258 96 HB2 GLU 26 HB2 GLU 26 7.026 -10.164 7.633 97 HB3 GLU 26 HB3 GLU 26 8.156 -10.462 8.942 98 HG2 GLU 26 HG2 GLU 26 8.982 -8.965 7.155 99 HG3 GLU 26 HG3 GLU 26 10.028 -10.321 7.520 100 H ARG 27 H ARG 27 5.619 -12.407 9.080 101 HA ARG 27 HA ARG 27 6.892 -13.214 11.471 102 HB2 ARG 27 HB2 ARG 27 4.856 -12.076 11.748 103 HB3 ARG 27 HB3 ARG 27 3.994 -13.223 10.719 104 HG2 ARG 27 HG2 ARG 27 4.192 -14.950 12.278 105 HG3 ARG 27 HG3 ARG 27 5.399 -14.077 13.212 106 HD2 ARG 27 HD2 ARG 27 3.896 -12.696 14.121 107 HD3 ARG 27 HD3 ARG 27 2.701 -12.945 12.846 108 HE ARG 27 HE ARG 27 3.173 -15.410 14.157 109 HH11 ARG 27 HH11 ARG 27 1.595 -12.366 14.973 110 HH12 ARG 27 HH12 ARG 27 0.459 -13.101 16.022 111 HH21 ARG 27 HH21 ARG 27 1.775 -16.357 15.414 112 HH22 ARG 27 HH22 ARG 27 0.547 -15.560 16.324 113 H LEU 28 H LEU 28 5.389 -15.019 8.855 114 HA LEU 28 HA LEU 28 5.186 -17.456 10.273 115 HB2 LEU 28 HB2 LEU 28 5.412 -16.915 7.324 116 HB3 LEU 28 HB3 LEU 28 5.167 -18.515 7.990 117 HG LEU 28 HG LEU 28 3.260 -16.202 8.336 118 HD11 LEU 28 HD11 LEU 28 3.174 -18.606 6.541 119 HD12 LEU 28 HD12 LEU 28 3.351 -16.921 6.046 120 HD13 LEU 28 HD13 LEU 28 1.851 -17.469 6.790 121 HD21 LEU 28 HD21 LEU 28 1.728 -17.922 9.109 122 HD22 LEU 28 HD22 LEU 28 3.131 -17.790 10.167 123 HD23 LEU 28 HD23 LEU 28 3.011 -19.127 9.013 124 H ILE 29 H ILE 29 7.643 -16.142 8.192 125 HA ILE 29 HA ILE 29 9.520 -18.198 8.198 126 HB ILE 29 HB ILE 29 9.720 -15.179 8.137 127 HG12 ILE 29 HG12 ILE 29 10.062 -17.302 6.011 128 HG13 ILE 29 HG11 ILE 29 8.670 -16.248 6.216 129 HG21 ILE 29 HG21 ILE 29 11.753 -15.942 9.102 130 HG22 ILE 29 HG22 ILE 29 12.031 -15.362 7.449 131 HG23 ILE 29 HG23 ILE 29 11.987 -17.105 7.788 132 HD11 ILE 29 HD11 ILE 29 10.065 -15.510 4.385 133 HD12 ILE 29 HD12 ILE 29 11.458 -15.422 5.453 134 HD13 ILE 29 HD13 ILE 29 10.101 -14.311 5.684 135 H GLN 30 H GLN 30 9.246 -15.533 10.524 136 HA GLN 30 HA GLN 30 11.306 -16.544 12.182 137 HB2 GLN 30 HB2 GLN 30 9.197 -14.485 12.700 138 HB3 GLN 30 HB3 GLN 30 10.537 -14.826 13.795 139 HG2 GLN 30 HG2 GLN 30 10.738 -13.804 10.967 140 HG3 GLN 30 HG3 GLN 30 10.994 -12.889 12.454 141 HE21 GLN 30 HE21 GLN 30 12.871 -13.226 13.640 142 HE22 GLN 30 HE22 GLN 30 14.231 -14.057 12.952 143 H GLU 31 H GLU 31 7.795 -16.828 12.291 144 HA GLU 31 HA GLU 31 7.573 -17.844 14.933 145 HB2 GLU 31 HB2 GLU 31 5.719 -16.775 13.680 146 HB3 GLU 31 HB3 GLU 31 5.667 -18.168 12.614 147 HG2 GLU 31 HG2 GLU 31 5.118 -19.584 14.562 148 HG3 GLU 31 HG3 GLU 31 5.063 -18.132 15.559 149 H LEU 32 H LEU 32 7.870 -19.388 11.774 150 HA LEU 32 HA LEU 32 7.590 -22.028 12.861 151 HB2 LEU 32 HB2 LEU 32 8.230 -20.936 10.148 152 HB3 LEU 32 HB3 LEU 32 8.453 -22.630 10.497 153 HG LEU 32 HG LEU 32 6.037 -22.849 10.949 154 HD11 LEU 32 HD11 LEU 32 5.436 -20.626 11.677 155 HD12 LEU 32 HD12 LEU 32 4.480 -21.074 10.250 156 HD13 LEU 32 HD13 LEU 32 5.849 -19.982 10.090 157 HD21 LEU 32 HD21 LEU 32 6.897 -21.704 8.347 158 HD22 LEU 32 HD22 LEU 32 5.313 -22.452 8.579 159 HD23 LEU 32 HD23 LEU 32 6.801 -23.401 8.803 160 H ASN 33 H ASN 33 9.997 -19.849 13.146 161 HA ASN 33 HA ASN 33 12.225 -19.863 13.606 162 HB2 ASN 33 HB2 ASN 33 11.426 -21.753 15.176 163 HB3 ASN 33 HB3 ASN 33 11.943 -22.885 13.940 164 HD21 ASN 33 HD21 ASN 33 14.156 -23.166 13.610 165 HD22 ASN 33 HD22 ASN 33 15.347 -22.656 14.770 166 H LEU 34 H LEU 34 11.444 -19.864 11.011 167 HA LEU 34 HA LEU 34 13.407 -21.536 9.649 168 HB2 LEU 34 HB2 LEU 34 10.588 -20.806 8.861 169 HB3 LEU 34 HB3 LEU 34 11.739 -21.295 7.646 170 HG LEU 34 HG LEU 34 10.630 -22.871 9.964 171 HD11 LEU 34 HD11 LEU 34 9.773 -24.327 8.212 172 HD12 LEU 34 HD12 LEU 34 10.454 -23.254 6.988 173 HD13 LEU 34 HD13 LEU 34 9.169 -22.678 8.051 174 HD21 LEU 34 HD21 LEU 34 12.805 -23.676 8.032 175 HD22 LEU 34 HD22 LEU 34 11.968 -24.777 9.123 176 HD23 LEU 34 HD23 LEU 34 12.969 -23.485 9.778 177 H THR 35 H THR 35 13.932 -20.574 7.459 178 HA THR 35 HA THR 35 14.010 -17.648 7.629 179 HB THR 35 HB THR 35 16.256 -17.672 6.574 180 HG1 THR 35 HG1 THR 35 15.874 -20.476 6.469 181 HG21 THR 35 HG21 THR 35 16.274 -17.950 9.010 182 HG22 THR 35 HG22 THR 35 17.613 -18.835 8.270 183 HG23 THR 35 HG23 THR 35 16.168 -19.697 8.806 184 HA PRO 36 HA PRO 36 12.082 -17.793 3.585 185 HB2 PRO 36 HB2 PRO 36 13.706 -16.259 1.949 186 HB3 PRO 36 HB3 PRO 36 12.519 -15.583 3.085 187 HG2 PRO 36 HG2 PRO 36 15.452 -15.920 3.434 188 HG3 PRO 36 HG3 PRO 36 14.406 -14.564 3.902 189 HD2 PRO 36 HD2 PRO 36 15.241 -16.299 5.716 190 HD3 PRO 36 HD3 PRO 36 13.599 -15.641 5.777 191 H GLN 37 H GLN 37 15.075 -19.128 4.074 192 HA GLN 37 HA GLN 37 15.462 -20.204 1.406 193 HB2 GLN 37 HB2 GLN 37 16.972 -20.597 3.989 194 HB3 GLN 37 HB3 GLN 37 17.456 -21.269 2.439 195 HG2 GLN 37 HG2 GLN 37 17.872 -19.104 1.533 196 HG3 GLN 37 HG3 GLN 37 17.128 -18.320 2.924 197 HE21 GLN 37 HE21 GLN 37 18.372 -19.975 4.907 198 HE22 GLN 37 HE22 GLN 37 20.052 -19.540 4.915 199 H GLN 38 H GLN 38 13.796 -20.989 4.231 200 HA GLN 38 HA GLN 38 13.436 -23.746 3.224 201 HB2 GLN 38 HB2 GLN 38 12.911 -22.746 6.038 202 HB3 GLN 38 HB3 GLN 38 12.477 -24.337 5.456 203 HG2 GLN 38 HG2 GLN 38 14.371 -24.624 6.728 204 HG3 GLN 38 HG3 GLN 38 14.974 -24.685 5.063 205 HE21 GLN 38 HE21 GLN 38 17.013 -24.065 5.568 206 HE22 GLN 38 HE22 GLN 38 17.433 -22.506 6.179 207 H LEU 39 H LEU 39 11.995 -20.839 4.489 208 HA LEU 39 HA LEU 39 9.429 -21.810 3.567 209 HB2 LEU 39 HB2 LEU 39 9.897 -21.001 6.012 210 HB3 LEU 39 HB3 LEU 39 9.833 -19.403 5.307 211 HG LEU 39 HG LEU 39 7.602 -21.439 5.371 212 HD11 LEU 39 HD11 LEU 39 6.555 -19.940 6.922 213 HD12 LEU 39 HD12 LEU 39 7.898 -18.815 6.774 214 HD13 LEU 39 HD13 LEU 39 8.161 -20.391 7.517 215 HD21 LEU 39 HD21 LEU 39 7.591 -18.606 4.383 216 HD22 LEU 39 HD22 LEU 39 6.184 -19.681 4.493 217 HD23 LEU 39 HD23 LEU 39 7.507 -20.048 3.372 218 H HIS 40 H HIS 40 10.014 -21.362 1.458 219 HA HIS 40 HA HIS 40 10.098 -18.570 0.741 220 HB2 HIS 40 HB2 HIS 40 10.245 -19.383 -1.637 221 HB3 HIS 40 HB3 HIS 40 11.528 -19.996 -0.613 222 HD1 HIS 40 HD1 HIS 40 8.872 -21.108 -2.942 223 HD2 HIS 40 HD2 HIS 40 11.311 -22.782 -0.005 224 HE1 HIS 40 HE1 HIS 40 8.840 -23.595 -3.312 225 H GLU 41 H GLU 41 8.444 -17.957 -1.006 226 HA GLU 41 HA GLU 41 6.012 -17.748 0.185 227 HB2 GLU 41 HB2 GLU 41 6.280 -17.831 -2.812 228 HB3 GLU 41 HB3 GLU 41 5.193 -16.853 -1.845 229 HG2 GLU 41 HG2 GLU 41 8.175 -16.487 -2.164 230 HG3 GLU 41 HG3 GLU 41 6.905 -15.454 -2.792 231 H GLU 42 H GLU 42 6.975 -20.240 -2.144 232 HA GLU 42 HA GLU 42 4.365 -21.451 -2.289 233 HB2 GLU 42 HB2 GLU 42 7.002 -22.487 -3.329 234 HB3 GLU 42 HB3 GLU 42 5.421 -23.117 -3.732 235 HG2 GLU 42 HG2 GLU 42 6.227 -21.818 -5.574 236 HG3 GLU 42 HG3 GLU 42 4.902 -20.934 -4.825 237 H SER 43 H SER 43 6.779 -21.741 0.095 238 HA SER 43 HA SER 43 6.737 -24.506 0.545 239 HB2 SER 43 HB2 SER 43 7.104 -22.269 2.547 240 HB3 SER 43 HB3 SER 43 7.501 -23.964 2.826 241 HG SER 43 HG SER 43 9.363 -23.494 1.973 242 H ASN 44 H ASN 44 5.278 -25.843 1.334 243 HA ASN 44 HA ASN 44 2.676 -25.035 2.188 244 HB2 ASN 44 HB2 ASN 44 3.123 -27.298 1.180 245 HB3 ASN 44 HB3 ASN 44 4.068 -27.725 2.593 246 HD21 ASN 44 HD21 ASN 44 1.670 -28.956 1.452 247 HD22 ASN 44 HD22 ASN 44 0.497 -28.978 2.723 248 H LEU 45 H LEU 45 2.115 -24.320 4.117 249 HA LEU 45 HA LEU 45 4.215 -23.809 5.986 250 HB2 LEU 45 HB2 LEU 45 1.284 -23.251 6.212 251 HB3 LEU 45 HB3 LEU 45 2.537 -22.614 7.260 252 HG LEU 45 HG LEU 45 2.184 -22.036 4.337 253 HD11 LEU 45 HD11 LEU 45 1.689 -19.772 5.133 254 HD12 LEU 45 HD12 LEU 45 1.906 -20.346 6.789 255 HD13 LEU 45 HD13 LEU 45 0.559 -20.956 5.819 256 HD21 LEU 45 HD21 LEU 45 4.556 -22.072 4.916 257 HD22 LEU 45 HD22 LEU 45 4.251 -21.016 6.289 258 HD23 LEU 45 HD23 LEU 45 4.016 -20.413 4.647 259 H ILE 46 H ILE 46 1.471 -25.901 5.880 260 HA ILE 46 HA ILE 46 1.466 -26.771 8.556 261 HB ILE 46 HB ILE 46 0.646 -28.116 5.994 262 HG12 ILE 46 HG12 ILE 46 -0.905 -26.753 8.205 263 HG13 ILE 46 HG11 ILE 46 -0.664 -26.221 6.541 264 HG21 ILE 46 HG21 ILE 46 0.257 -29.221 8.773 265 HG22 ILE 46 HG22 ILE 46 1.225 -29.897 7.454 266 HG23 ILE 46 HG23 ILE 46 -0.530 -29.835 7.308 267 HD11 ILE 46 HD11 ILE 46 -2.019 -28.083 5.737 268 HD12 ILE 46 HD12 ILE 46 -2.920 -27.106 6.895 269 HD13 ILE 46 HD13 ILE 46 -2.237 -28.655 7.391 270 H GLN 47 H GLN 47 3.106 -27.819 5.729 271 HA GLN 47 HA GLN 47 4.321 -30.082 6.966 272 HB2 GLN 47 HB2 GLN 47 3.576 -29.861 4.566 273 HB3 GLN 47 HB3 GLN 47 4.939 -28.792 4.317 274 HG2 GLN 47 HG2 GLN 47 5.500 -31.405 5.486 275 HG3 GLN 47 HG3 GLN 47 4.935 -31.389 3.818 276 HE21 GLN 47 HE21 GLN 47 7.550 -30.391 5.940 277 HE22 GLN 47 HE22 GLN 47 8.677 -30.058 4.675 278 H ALA 48 H ALA 48 5.126 -26.761 6.426 279 HA ALA 48 HA ALA 48 7.933 -27.049 6.910 280 HB1 ALA 48 HB1 ALA 48 6.227 -24.551 6.852 281 HB2 ALA 48 HB2 ALA 48 7.068 -25.252 5.476 282 HB3 ALA 48 HB3 ALA 48 7.988 -24.604 6.834 283 H GLY 49 H GLY 49 5.132 -25.969 8.806 284 HA2 GLY 49 HA2 GLY 49 5.750 -26.979 11.209 285 HA3 GLY 49 HA3 GLY 49 6.838 -25.604 11.141 286 H LEU 50 H LEU 50 3.490 -25.884 10.007 287 HA LEU 50 HA LEU 50 2.518 -23.936 12.064 288 HB2 LEU 50 HB2 LEU 50 2.887 -22.951 9.704 289 HB3 LEU 50 HB3 LEU 50 1.675 -24.089 9.160 290 HG LEU 50 HG LEU 50 0.098 -23.012 10.834 291 HD11 LEU 50 HD11 LEU 50 1.730 -21.917 12.225 292 HD12 LEU 50 HD12 LEU 50 0.648 -20.725 11.501 293 HD13 LEU 50 HD13 LEU 50 2.272 -20.943 10.860 294 HD21 LEU 50 HD21 LEU 50 -0.421 -21.143 9.362 295 HD22 LEU 50 HD22 LEU 50 -0.031 -22.588 8.428 296 HD23 LEU 50 HD23 LEU 50 1.158 -21.297 8.599 297 H ASP 51 H ASP 51 1.130 -24.887 13.206 298 HA ASP 51 HA ASP 51 -0.057 -27.376 12.423 299 HB2 ASP 51 HB2 ASP 51 -1.157 -27.116 14.736 300 HB3 ASP 51 HB3 ASP 51 0.596 -27.287 14.690 301 HA 4HH 52 HA 4HH 52 -3.864 -25.782 11.315 302 H 4HH 52 H 4HH 52 -2.617 -27.284 13.502 303 HB3 4HH 52 HB3 4HH 52 -4.416 -28.267 11.540 304 HB2 4HH 52 HB2 4HH 52 -5.821 -27.235 11.800 305 HJ3 4HH 52 HJ3 4HH 52 -7.137 -26.370 13.184 306 HJ2 4HH 52 HJ2 4HH 52 -7.643 -27.032 14.740 307 HL13 4HH 52 HL13 4HH 52 -10.664 -27.045 11.749 308 HL12 4HH 52 HL12 4HH 52 -9.081 -26.588 11.261 309 HL11 4HH 52 HL11 4HH 52 -9.319 -28.230 11.747 310 HL21 4HH 52 HL21 4HH 52 -8.830 -24.855 12.608 311 HL23 4HH 52 HL23 4HH 52 -10.401 -24.894 13.280 312 HL22 4HH 52 HL22 4HH 52 -8.931 -24.809 14.330 313 HL3 4HH 52 HL3 4HH 52 -9.812 -28.553 14.364 314 HM 4HH 52 HM 4HH 52 -10.384 -27.553 16.353 315 HN 4HH 52 HN 4HH 52 -12.390 -27.216 12.510 316 HO2 4HH 52 HO2 4HH 52 -12.081 -24.823 14.038 317 HO3 4HH 52 HO3 4HH 52 -13.593 -25.627 14.494 318 HP3 4HH 52 HP3 4HH 52 -12.857 -24.760 11.745 319 HP2 4HH 52 HP2 4HH 52 -14.380 -25.557 12.246 320 HS2 4HH 52 HS2 4HH 52 -12.799 -22.276 10.655 321 HS3 4HH 52 HS3 4HH 52 -14.419 -21.639 11.080 322 HT3 4HH 52 HT3 4HH 52 -12.946 -19.798 10.688 323 HT2 4HH 52 HT2 4HH 52 -11.852 -20.427 11.923 324 HR 4HH 52 HR 4HH 52 -12.805 -22.206 13.368 325 HU 4HH 52 HU 4HH 52 -13.825 -20.303 13.961 326 H ILE 53 H ILE 53 -3.166 -25.682 14.471 327 HA ILE 53 HA ILE 53 -5.472 -24.257 15.390 328 HB ILE 53 HB ILE 53 -2.719 -24.485 16.625 329 HG12 ILE 53 HG12 ILE 53 -3.852 -26.637 16.594 330 HG13 ILE 53 HG11 ILE 53 -3.820 -26.000 18.234 331 HG21 ILE 53 HG21 ILE 53 -3.800 -22.428 17.341 332 HG22 ILE 53 HG22 ILE 53 -3.725 -23.568 18.688 333 HG23 ILE 53 HG23 ILE 53 -5.237 -23.318 17.811 334 HD11 ILE 53 HD11 ILE 53 -6.159 -25.311 18.008 335 HD12 ILE 53 HD12 ILE 53 -5.951 -27.043 17.755 336 HD13 ILE 53 HD13 ILE 53 -6.192 -25.979 16.374 337 H ARG 54 H ARG 54 -2.072 -23.450 14.754 338 HA ARG 54 HA ARG 54 -2.459 -20.709 14.777 339 HB2 ARG 54 HB2 ARG 54 -0.405 -22.488 13.670 340 HB3 ARG 54 HB3 ARG 54 -0.391 -20.747 13.356 341 HG2 ARG 54 HG2 ARG 54 -0.520 -20.344 15.731 342 HG3 ARG 54 HG3 ARG 54 -0.431 -22.091 16.007 343 HD2 ARG 54 HD2 ARG 54 1.434 -20.691 14.314 344 HD3 ARG 54 HD3 ARG 54 1.724 -20.702 16.087 345 HE ARG 54 HE ARG 54 1.391 -23.287 15.463 346 HH11 ARG 54 HH11 ARG 54 3.352 -20.842 13.773 347 HH12 ARG 54 HH12 ARG 54 4.552 -21.965 13.328 348 HH21 ARG 54 HH21 ARG 54 2.905 -24.721 14.889 349 HH22 ARG 54 HH22 ARG 54 4.285 -24.282 13.918 350 H LEU 55 H LEU 55 -2.747 -23.082 12.212 351 HA LEU 55 HA LEU 55 -3.041 -21.414 10.009 352 HB2 LEU 55 HB2 LEU 55 -3.016 -24.011 10.232 353 HB3 LEU 55 HB3 LEU 55 -4.736 -23.870 10.478 354 HG LEU 55 HG LEU 55 -4.204 -24.561 8.200 355 HD11 LEU 55 HD11 LEU 55 -6.208 -23.254 8.477 356 HD12 LEU 55 HD12 LEU 55 -5.442 -22.935 6.914 357 HD13 LEU 55 HD13 LEU 55 -5.281 -21.770 8.232 358 HD21 LEU 55 HD21 LEU 55 -2.029 -23.588 7.974 359 HD22 LEU 55 HD22 LEU 55 -2.722 -21.964 8.009 360 HD23 LEU 55 HD23 LEU 55 -3.085 -23.047 6.660 361 H MET 56 H MET 56 -5.557 -22.492 12.332 362 HA MET 56 HA MET 56 -7.548 -20.874 11.025 363 HB2 MET 56 HB2 MET 56 -8.102 -22.912 12.443 364 HB3 MET 56 HB3 MET 56 -7.789 -21.890 13.835 365 HG2 MET 56 HG2 MET 56 -9.440 -20.217 12.665 366 HG3 MET 56 HG3 MET 56 -10.019 -21.662 11.846 367 HE1 MET 56 HE1 MET 56 -8.710 -21.267 15.551 368 HE2 MET 56 HE2 MET 56 -10.175 -20.546 16.250 369 HE3 MET 56 HE3 MET 56 -9.305 -19.763 14.905 370 H ARG 57 H ARG 57 -5.392 -20.465 13.737 371 HA ARG 57 HA ARG 57 -6.753 -18.257 14.662 372 HB2 ARG 57 HB2 ARG 57 -4.139 -19.404 15.288 373 HB3 ARG 57 HB3 ARG 57 -4.300 -17.716 15.746 374 HG2 ARG 57 HG2 ARG 57 -4.822 -19.151 17.631 375 HG3 ARG 57 HG3 ARG 57 -6.284 -18.316 17.101 376 HD2 ARG 57 HD2 ARG 57 -6.900 -20.225 15.817 377 HD3 ARG 57 HD3 ARG 57 -5.436 -21.048 16.334 378 HE ARG 57 HE ARG 57 -6.949 -20.274 18.587 379 HH11 ARG 57 HH11 ARG 57 -6.976 -22.682 15.976 380 HH12 ARG 57 HH12 ARG 57 -7.857 -23.866 16.809 381 HH21 ARG 57 HH21 ARG 57 -8.213 -21.927 19.809 382 HH22 ARG 57 HH22 ARG 57 -8.582 -23.410 19.070 383 H TRP 58 H TRP 58 -4.319 -18.746 12.226 384 HA TRP 58 HA TRP 58 -3.724 -16.069 11.631 385 HB2 TRP 58 HB2 TRP 58 -3.441 -18.661 10.200 386 HB3 TRP 58 HB3 TRP 58 -3.304 -17.197 9.242 387 HD1 TRP 58 HD1 TRP 58 -1.168 -19.515 10.945 388 HE1 TRP 58 HE1 TRP 58 1.096 -18.410 11.636 389 HE3 TRP 58 HE3 TRP 58 -2.464 -14.626 10.380 390 HZ2 TRP 58 HZ2 TRP 58 2.159 -15.763 11.834 391 HZ3 TRP 58 HZ3 TRP 58 -0.805 -12.883 10.824 392 HH2 TRP 58 HH2 TRP 58 1.437 -13.438 11.530 393 H LEU 59 H LEU 59 -6.217 -18.270 10.502 394 HA LEU 59 HA LEU 59 -7.448 -16.471 8.703 395 HB2 LEU 59 HB2 LEU 59 -8.055 -18.789 8.693 396 HB3 LEU 59 HB3 LEU 59 -8.658 -18.671 10.337 397 HG LEU 59 HG LEU 59 -10.469 -17.210 9.618 398 HD11 LEU 59 HD11 LEU 59 -10.870 -16.790 7.238 399 HD12 LEU 59 HD12 LEU 59 -9.309 -17.522 6.846 400 HD13 LEU 59 HD13 LEU 59 -9.383 -16.036 7.798 401 HD21 LEU 59 HD21 LEU 59 -10.737 -19.601 9.545 402 HD22 LEU 59 HD22 LEU 59 -10.122 -19.544 7.874 403 HD23 LEU 59 HD23 LEU 59 -11.671 -18.782 8.267 404 H HIS 60 H HIS 60 -7.603 -16.834 12.139 405 HA HIS 60 HA HIS 60 -9.782 -15.134 12.602 406 HB2 HIS 60 HB2 HIS 60 -8.672 -16.616 14.339 407 HB3 HIS 60 HB3 HIS 60 -7.377 -15.423 14.426 408 HD1 HIS 60 HD1 HIS 60 -7.751 -14.079 16.555 409 HD2 HIS 60 HD2 HIS 60 -11.203 -14.988 14.494 410 HE1 HIS 60 HE1 HIS 60 -9.619 -12.988 17.856 411 H TRP 61 H TRP 61 -6.352 -14.542 12.217 412 HA TRP 61 HA TRP 61 -6.393 -11.753 12.558 413 HB2 TRP 61 HB2 TRP 61 -4.318 -12.992 12.708 414 HB3 TRP 61 HB3 TRP 61 -4.522 -13.621 11.086 415 HD1 TRP 61 HD1 TRP 61 -3.716 -10.274 12.873 416 HE1 TRP 61 HE1 TRP 61 -2.217 -8.883 11.269 417 HE3 TRP 61 HE3 TRP 61 -3.805 -13.314 8.757 418 HZ2 TRP 61 HZ2 TRP 61 -1.226 -9.052 8.665 419 HZ3 TRP 61 HZ3 TRP 61 -2.552 -12.625 6.757 420 HH2 TRP 61 HH2 TRP 61 -1.292 -10.539 6.713 421 H PHE 62 H PHE 62 -6.434 -13.769 9.623 422 HA PHE 62 HA PHE 62 -6.721 -11.808 7.683 423 HB2 PHE 62 HB2 PHE 62 -7.729 -14.632 7.772 424 HB3 PHE 62 HB3 PHE 62 -8.074 -13.617 6.392 425 HD1 PHE 62 HD1 PHE 62 -6.019 -12.532 5.253 426 HD2 PHE 62 HD2 PHE 62 -5.799 -15.915 7.814 427 HE1 PHE 62 HE1 PHE 62 -3.893 -13.189 4.221 428 HE2 PHE 62 HE2 PHE 62 -3.680 -16.560 6.793 429 HZ PHE 62 HZ PHE 62 -2.728 -15.203 4.985 430 H ARG 63 H ARG 63 -9.372 -13.573 9.233 431 HA ARG 63 HA ARG 63 -11.513 -12.295 7.958 432 HB2 ARG 63 HB2 ARG 63 -11.605 -14.355 9.247 433 HB3 ARG 63 HB3 ARG 63 -11.443 -13.407 10.720 434 HG2 ARG 63 HG2 ARG 63 -13.502 -12.327 10.377 435 HG3 ARG 63 HG3 ARG 63 -13.612 -12.939 8.718 436 HD2 ARG 63 HD2 ARG 63 -15.030 -14.247 10.080 437 HD3 ARG 63 HD3 ARG 63 -13.567 -15.113 9.540 438 HE ARG 63 HE ARG 63 -13.125 -13.980 12.072 439 HH11 ARG 63 HH11 ARG 63 -14.855 -16.698 10.616 440 HH12 ARG 63 HH12 ARG 63 -14.738 -17.716 11.981 441 HH21 ARG 63 HH21 ARG 63 -13.001 -15.378 14.016 442 HH22 ARG 63 HH22 ARG 63 -13.671 -16.936 13.954 443 H LYS 64 H LYS 64 -9.712 -11.504 10.828 444 HA LYS 64 HA LYS 64 -11.397 -9.348 11.721 445 HB2 LYS 64 HB2 LYS 64 -10.004 -10.889 13.134 446 HB3 LYS 64 HB3 LYS 64 -8.607 -10.110 12.446 447 HG2 LYS 64 HG2 LYS 64 -9.666 -7.933 13.367 448 HG3 LYS 64 HG3 LYS 64 -10.576 -9.040 14.400 449 HD2 LYS 64 HD2 LYS 64 -8.544 -8.346 15.525 450 HD3 LYS 64 HD3 LYS 64 -8.513 -10.075 15.111 451 HE2 LYS 64 HE2 LYS 64 -6.365 -8.748 14.633 452 HE3 LYS 64 HE3 LYS 64 -6.954 -9.750 13.324 453 HZ1 LYS 64 HZ1 LYS 64 -8.079 -7.623 12.471 454 HZ2 LYS 64 HZ2 LYS 64 -6.467 -7.723 12.300 455 HZ3 LYS 64 HZ3 LYS 64 -7.107 -6.764 13.557 456 H ASN 65 H ASN 65 -9.078 -9.678 9.293 457 HA ASN 65 HA ASN 65 -8.395 -6.832 9.332 458 HB2 ASN 65 HB2 ASN 65 -7.061 -9.226 8.061 459 HB3 ASN 65 HB3 ASN 65 -6.782 -7.617 7.415 460 HD21 ASN 65 HD21 ASN 65 -4.519 -7.894 7.930 461 HD22 ASN 65 HD22 ASN 65 -3.974 -7.707 9.517 462 H GLY 66 H GLY 66 -10.726 -8.738 8.242 463 HA2 GLY 66 HA2 GLY 66 -12.459 -7.876 6.878 464 HA3 GLY 66 HA3 GLY 66 -11.269 -6.907 6.027 465 H TYR 67 H TYR 67 -10.265 -10.119 6.451 466 HA TYR 67 HA TYR 67 -10.704 -10.534 3.641 467 HB2 TYR 67 HB2 TYR 67 -9.111 -12.096 5.642 468 HB3 TYR 67 HB3 TYR 67 -9.282 -12.588 3.951 469 HD1 TYR 67 HD1 TYR 67 -8.258 -11.302 2.192 470 HD2 TYR 67 HD2 TYR 67 -7.836 -10.149 6.243 471 HE1 TYR 67 HE1 TYR 67 -6.515 -9.757 1.551 472 HE2 TYR 67 HE2 TYR 67 -6.062 -8.582 5.629 473 HH TYR 67 HH TYR 67 -4.586 -8.130 3.961 474 H ARG 68 H ARG 68 -12.354 -11.316 2.918 475 HA ARG 68 HA ARG 68 -14.136 -12.942 4.507 476 HB2 ARG 68 HB2 ARG 68 -14.395 -11.634 1.798 477 HB3 ARG 68 HB3 ARG 68 -15.653 -12.629 2.511 478 HG2 ARG 68 HG2 ARG 68 -16.395 -10.951 3.762 479 HG3 ARG 68 HG3 ARG 68 -14.773 -10.561 4.336 480 HD2 ARG 68 HD2 ARG 68 -15.738 -9.752 1.597 481 HD3 ARG 68 HD3 ARG 68 -16.036 -8.751 3.016 482 HE ARG 68 HE ARG 68 -13.413 -9.036 3.211 483 HH11 ARG 68 HH11 ARG 68 -15.278 -8.261 0.260 484 HH12 ARG 68 HH12 ARG 68 -14.005 -7.318 -0.395 485 HH21 ARG 68 HH21 ARG 68 -11.741 -7.701 2.253 486 HH22 ARG 68 HH22 ARG 68 -11.991 -6.995 0.731 487 H LEU 69 H LEU 69 -12.721 -14.813 4.549 488 HA LEU 69 HA LEU 69 -13.283 -16.590 2.399 489 HB2 LEU 69 HB2 LEU 69 -10.884 -17.298 2.130 490 HB3 LEU 69 HB3 LEU 69 -11.223 -15.703 1.516 491 HG LEU 69 HG LEU 69 -10.265 -14.954 3.869 492 HD11 LEU 69 HD11 LEU 69 -10.037 -17.190 4.775 493 HD12 LEU 69 HD12 LEU 69 -8.477 -16.363 4.649 494 HD13 LEU 69 HD13 LEU 69 -8.916 -17.592 3.467 495 HD21 LEU 69 HD21 LEU 69 -8.008 -14.808 2.871 496 HD22 LEU 69 HD22 LEU 69 -9.266 -14.275 1.778 497 HD23 LEU 69 HD23 LEU 69 -8.536 -15.869 1.566 498 H THR 70 H THR 70 -12.759 -18.900 3.055 499 HA THR 70 HA THR 70 -13.281 -19.051 5.913 500 HB THR 70 HB THR 70 -13.928 -20.966 3.655 501 HG1 THR 70 HG1 THR 70 -14.951 -18.816 3.900 502 HG21 THR 70 HG21 THR 70 -15.455 -22.038 5.239 503 HG22 THR 70 HG22 THR 70 -14.875 -20.973 6.538 504 HG23 THR 70 HG23 THR 70 -13.780 -22.137 5.766 505 H LEU 71 H LEU 71 -12.523 -21.121 6.938 506 HA LEU 71 HA LEU 71 -9.741 -21.301 7.047 507 HB2 LEU 71 HB2 LEU 71 -11.342 -21.980 8.892 508 HB3 LEU 71 HB3 LEU 71 -11.712 -23.392 7.938 509 HG LEU 71 HG LEU 71 -9.423 -24.177 8.227 510 HD11 LEU 71 HD11 LEU 71 -8.269 -22.039 8.357 511 HD12 LEU 71 HD12 LEU 71 -7.956 -22.993 9.814 512 HD13 LEU 71 HD13 LEU 71 -9.110 -21.673 9.862 513 HD21 LEU 71 HD21 LEU 71 -10.761 -23.345 10.796 514 HD22 LEU 71 HD22 LEU 71 -9.555 -24.608 10.617 515 HD23 LEU 71 HD23 LEU 71 -11.138 -24.791 9.856 516 H ARG 72 H ARG 72 -12.069 -23.262 5.375 517 HA ARG 72 HA ARG 72 -10.723 -25.617 4.901 518 HB2 ARG 72 HB2 ARG 72 -12.439 -24.219 2.898 519 HB3 ARG 72 HB3 ARG 72 -12.166 -25.940 3.030 520 HG2 ARG 72 HG2 ARG 72 -13.504 -26.115 4.937 521 HG3 ARG 72 HG3 ARG 72 -13.491 -24.364 5.204 522 HD2 ARG 72 HD2 ARG 72 -14.650 -25.777 2.859 523 HD3 ARG 72 HD3 ARG 72 -15.601 -25.112 4.208 524 HE ARG 72 HE ARG 72 -13.858 -23.197 2.851 525 HH11 ARG 72 HH11 ARG 72 -17.146 -24.508 2.812 526 HH12 ARG 72 HH12 ARG 72 -17.808 -23.133 2.045 527 HH21 ARG 72 HH21 ARG 72 -14.719 -21.363 1.857 528 HH22 ARG 72 HH22 ARG 72 -16.361 -21.253 1.482 529 H GLU 73 H GLU 73 -10.961 -22.679 2.941 530 HA GLU 73 HA GLU 73 -9.487 -23.384 0.738 531 HB2 GLU 73 HB2 GLU 73 -9.887 -20.623 1.911 532 HB3 GLU 73 HB3 GLU 73 -9.346 -20.963 0.278 533 HG2 GLU 73 HG2 GLU 73 -11.609 -20.502 -0.046 534 HG3 GLU 73 HG3 GLU 73 -11.608 -22.260 0.084 535 H LEU 74 H LEU 74 -8.386 -21.688 3.662 536 HA LEU 74 HA LEU 74 -5.698 -21.392 2.725 537 HB2 LEU 74 HB2 LEU 74 -6.646 -21.420 5.585 538 HB3 LEU 74 HB3 LEU 74 -5.098 -20.857 5.022 539 HG LEU 74 HG LEU 74 -7.772 -19.580 4.720 540 HD11 LEU 74 HD11 LEU 74 -5.163 -18.700 5.842 541 HD12 LEU 74 HD12 LEU 74 -6.542 -19.254 6.813 542 HD13 LEU 74 HD13 LEU 74 -6.643 -17.746 5.873 543 HD21 LEU 74 HD21 LEU 74 -6.648 -17.799 3.504 544 HD22 LEU 74 HD22 LEU 74 -6.664 -19.332 2.605 545 HD23 LEU 74 HD23 LEU 74 -5.188 -18.798 3.444 546 H TYR 75 H TYR 75 -7.501 -23.725 4.383 547 HA TYR 75 HA TYR 75 -5.453 -25.161 5.726 548 HB2 TYR 75 HB2 TYR 75 -7.986 -24.888 6.168 549 HB3 TYR 75 HB3 TYR 75 -8.194 -26.217 5.027 550 HD1 TYR 75 HD2 TYR 75 -5.377 -27.253 6.509 551 HD2 TYR 75 HD1 TYR 75 -9.321 -26.091 7.446 552 HE1 TYR 75 HE2 TYR 75 -5.271 -28.590 8.562 553 HE2 TYR 75 HE1 TYR 75 -9.334 -27.279 9.377 554 HH TYR 75 HH TYR 75 -8.015 -29.254 10.531 555 H ALA 76 H ALA 76 -7.295 -25.575 2.729 556 HA ALA 76 HA ALA 76 -6.161 -28.092 2.039 557 HB1 ALA 76 HB1 ALA 76 -7.280 -27.789 -0.109 558 HB2 ALA 76 HB2 ALA 76 -7.598 -26.100 0.285 559 HB3 ALA 76 HB3 ALA 76 -8.364 -27.382 1.223 560 H ALA 77 H ALA 77 -5.443 -24.752 1.198 561 HA ALA 77 HA ALA 77 -2.948 -25.739 0.045 562 HB1 ALA 77 HB1 ALA 77 -4.548 -23.409 -1.024 563 HB2 ALA 77 HB2 ALA 77 -4.408 -24.993 -1.788 564 HB3 ALA 77 HB3 ALA 77 -2.986 -23.961 -1.631 565 HA PRO 78 HA PRO 78 -2.020 -22.643 3.222 566 HB2 PRO 78 HB2 PRO 78 -0.402 -24.275 4.748 567 HB3 PRO 78 HB3 PRO 78 -2.146 -24.079 5.006 568 HG2 PRO 78 HG2 PRO 78 -0.767 -26.411 4.100 569 HG3 PRO 78 HG3 PRO 78 -2.497 -26.197 4.415 570 HD2 PRO 78 HD2 PRO 78 -1.072 -26.191 1.856 571 HD3 PRO 78 HD3 PRO 78 -2.804 -26.394 2.196 572 H THR 79 H THR 79 -0.862 -21.662 1.562 573 HA THR 79 HA THR 79 2.014 -21.923 1.801 574 HB THR 79 HB THR 79 2.194 -21.632 -0.714 575 HG1 THR 79 HG1 THR 79 -0.515 -22.465 -0.620 576 HG21 THR 79 HG21 THR 79 2.657 -23.824 0.275 577 HG22 THR 79 HG22 THR 79 1.884 -23.990 -1.301 578 HG23 THR 79 HG23 THR 79 0.939 -24.226 0.180 579 H LEU 80 H LEU 80 2.936 -19.892 1.560 580 HA LEU 80 HA LEU 80 1.257 -17.690 1.914 581 HB2 LEU 80 HB2 LEU 80 4.165 -18.125 1.506 582 HB3 LEU 80 HB3 LEU 80 3.558 -16.506 1.223 583 HG LEU 80 HG LEU 80 2.954 -17.901 3.837 584 HD11 LEU 80 HD11 LEU 80 5.355 -16.193 3.150 585 HD12 LEU 80 HD12 LEU 80 5.419 -17.904 3.598 586 HD13 LEU 80 HD13 LEU 80 4.868 -16.688 4.761 587 HD21 LEU 80 HD21 LEU 80 2.811 -15.613 4.592 588 HD22 LEU 80 HD22 LEU 80 1.706 -15.946 3.261 589 HD23 LEU 80 HD23 LEU 80 3.196 -15.055 2.968 590 H ALA 81 H ALA 81 2.976 -18.884 -0.905 591 HA ALA 81 HA ALA 81 2.473 -16.926 -2.759 592 HB1 ALA 81 HB1 ALA 81 2.744 -18.617 -4.476 593 HB2 ALA 81 HB2 ALA 81 2.447 -19.890 -3.293 594 HB3 ALA 81 HB3 ALA 81 3.891 -18.887 -3.163 595 H ALA 82 H ALA 82 0.269 -19.622 -1.916 596 HA ALA 82 HA ALA 82 -1.682 -18.662 -3.803 597 HB1 ALA 82 HB1 ALA 82 -3.138 -20.389 -3.021 598 HB2 ALA 82 HB2 ALA 82 -2.059 -20.758 -1.671 599 HB3 ALA 82 HB3 ALA 82 -1.540 -21.069 -3.339 600 H TRP 83 H TRP 83 -1.193 -18.462 -0.323 601 HA TRP 83 HA TRP 83 -3.692 -17.407 0.331 602 HB2 TRP 83 HB2 TRP 83 -1.003 -17.131 1.624 603 HB3 TRP 83 HB3 TRP 83 -2.420 -16.314 2.268 604 HD1 TRP 83 HD1 TRP 83 -3.334 -19.693 0.942 605 HE1 TRP 83 HE1 TRP 83 -3.601 -21.338 2.857 606 HE3 TRP 83 HE3 TRP 83 -1.348 -16.871 4.534 607 HZ2 TRP 83 HZ2 TRP 83 -3.114 -21.383 5.615 608 HZ3 TRP 83 HZ3 TRP 83 -1.259 -17.749 6.898 609 HH2 TRP 83 HH2 TRP 83 -2.130 -19.984 7.403 610 H ASN 84 H ASN 84 -0.726 -15.772 -0.520 611 HA ASN 84 HA ASN 84 -1.408 -13.094 -0.527 612 HB2 ASN 84 HB2 ASN 84 0.797 -13.958 -1.281 613 HB3 ASN 84 HB3 ASN 84 0.057 -14.526 -2.769 614 HD21 ASN 84 HD21 ASN 84 -0.445 -12.999 -4.412 615 HD22 ASN 84 HD22 ASN 84 0.165 -11.387 -4.334 616 H GLN 85 H GLN 85 -2.114 -15.445 -3.030 617 HA GLN 85 HA GLN 85 -3.473 -13.741 -4.816 618 HB2 GLN 85 HB2 GLN 85 -3.806 -16.740 -4.498 619 HB3 GLN 85 HB3 GLN 85 -4.205 -15.789 -5.927 620 HG2 GLN 85 HG2 GLN 85 -1.478 -16.358 -4.790 621 HG3 GLN 85 HG3 GLN 85 -2.158 -16.977 -6.289 622 HE21 GLN 85 HE21 GLN 85 0.273 -15.432 -5.731 623 HE22 GLN 85 HE22 GLN 85 0.158 -14.035 -6.757 624 H LEU 86 H LEU 86 -4.575 -15.978 -2.303 625 HA LEU 86 HA LEU 86 -7.349 -15.652 -2.628 626 HB2 LEU 86 HB2 LEU 86 -5.933 -16.317 -0.038 627 HB3 LEU 86 HB3 LEU 86 -7.594 -16.603 -0.452 628 HG LEU 86 HG LEU 86 -5.275 -17.949 -1.819 629 HD11 LEU 86 HD11 LEU 86 -7.220 -18.941 0.213 630 HD12 LEU 86 HD12 LEU 86 -5.507 -18.596 0.499 631 HD13 LEU 86 HD13 LEU 86 -5.981 -19.915 -0.591 632 HD21 LEU 86 HD21 LEU 86 -6.976 -19.425 -2.722 633 HD22 LEU 86 HD22 LEU 86 -7.247 -17.763 -3.258 634 HD23 LEU 86 HD23 LEU 86 -8.238 -18.460 -1.965 635 H MET 87 H MET 87 -5.014 -13.542 -1.291 636 HA MET 87 HA MET 87 -6.754 -12.284 0.662 637 HB2 MET 87 HB2 MET 87 -3.921 -11.781 -0.212 638 HB3 MET 87 HB3 MET 87 -4.717 -10.740 0.943 639 HG2 MET 87 HG2 MET 87 -5.015 -12.691 2.424 640 HG3 MET 87 HG3 MET 87 -4.179 -13.691 1.242 641 HE1 MET 87 HE1 MET 87 -2.225 -10.338 3.734 642 HE2 MET 87 HE2 MET 87 -3.894 -10.877 3.920 643 HE3 MET 87 HE3 MET 87 -3.406 -9.994 2.474 644 H LEU 88 H LEU 88 -4.977 -11.430 -2.246 645 HA LEU 88 HA LEU 88 -6.119 -8.901 -2.494 646 HB2 LEU 88 HB2 LEU 88 -4.038 -9.149 -3.378 647 HB3 LEU 88 HB3 LEU 88 -4.369 -10.750 -4.024 648 HG LEU 88 HG LEU 88 -5.864 -9.778 -5.455 649 HD11 LEU 88 HD11 LEU 88 -4.470 -7.111 -4.640 650 HD12 LEU 88 HD12 LEU 88 -6.170 -7.479 -4.459 651 HD13 LEU 88 HD13 LEU 88 -5.498 -7.224 -6.067 652 HD21 LEU 88 HD21 LEU 88 -4.105 -9.013 -7.132 653 HD22 LEU 88 HD22 LEU 88 -3.764 -10.519 -6.268 654 HD23 LEU 88 HD23 LEU 88 -2.970 -9.022 -5.785 655 H SER 89 H SER 89 -6.893 -12.117 -3.707 656 HA SER 89 HA SER 89 -8.662 -11.102 -5.585 657 HB2 SER 89 HB2 SER 89 -8.439 -13.917 -4.511 658 HB3 SER 89 HB3 SER 89 -9.418 -13.461 -5.908 659 HG SER 89 HG SER 89 -6.630 -13.431 -5.588 660 H ARG 90 H ARG 90 -9.027 -10.761 -2.428 661 HA ARG 90 HA ARG 90 -11.822 -11.518 -2.185 662 HB2 ARG 90 HB2 ARG 90 -10.095 -9.910 -0.288 663 HB3 ARG 90 HB3 ARG 90 -11.735 -10.439 0.039 664 HG2 ARG 90 HG2 ARG 90 -9.344 -12.234 -0.372 665 HG3 ARG 90 HG3 ARG 90 -10.090 -11.835 1.172 666 HD2 ARG 90 HD2 ARG 90 -10.784 -14.032 0.444 667 HD3 ARG 90 HD3 ARG 90 -12.167 -12.941 0.442 668 HE ARG 90 HE ARG 90 -10.860 -13.135 -2.086 669 HH11 ARG 90 HH11 ARG 90 -13.258 -14.756 -0.035 670 HH12 ARG 90 HH12 ARG 90 -14.101 -15.483 -1.313 671 HH21 ARG 90 HH21 ARG 90 -12.051 -14.021 -3.866 672 HH22 ARG 90 HH22 ARG 90 -13.388 -15.047 -3.603 673 H SER 91 H SER 91 -9.848 -8.709 -2.756 674 HA SER 91 HA SER 91 -11.978 -7.405 -4.077 675 HB2 SER 91 HB2 SER 91 -10.729 -6.112 -1.612 676 HB3 SER 91 HB3 SER 91 -11.839 -5.318 -2.733 677 HG SER 91 HG SER 91 -12.863 -7.594 -1.996 678 HA PRO 92 HA PRO 92 -7.786 -6.822 -5.696 679 HB2 PRO 92 HB2 PRO 92 -8.855 -7.033 -8.353 680 HB3 PRO 92 HB3 PRO 92 -7.870 -8.229 -7.489 681 HG2 PRO 92 HG2 PRO 92 -10.486 -8.623 -8.181 682 HG3 PRO 92 HG3 PRO 92 -9.650 -9.463 -6.861 683 HD2 PRO 92 HD2 PRO 92 -11.522 -7.148 -6.718 684 HD3 PRO 92 HD3 PRO 92 -11.346 -8.547 -5.633 685 H GLU 93 H GLU 93 -7.159 -4.771 -5.666 686 HA GLU 93 HA GLU 93 -8.600 -2.913 -7.337 687 HB2 GLU 93 HB2 GLU 93 -8.002 -1.131 -5.741 688 HB3 GLU 93 HB3 GLU 93 -9.008 -2.351 -4.992 689 HG2 GLU 93 HG2 GLU 93 -6.014 -2.231 -4.668 690 HG3 GLU 93 HG3 GLU 93 -7.134 -1.419 -3.590 Start of MODEL 3 1 H ASP 14 HT1 ASP 14 -3.112 -5.276 -10.507 2 HA ASP 14 HA ASP 14 -1.285 -4.552 -9.117 3 HB2 ASP 14 HB2 ASP 14 -2.412 -2.678 -7.908 4 HB3 ASP 14 HB3 ASP 14 -3.048 -2.881 -9.541 5 H ASN 15 H ASN 15 -1.607 -3.613 -6.380 6 HA ASN 15 HA ASN 15 -2.000 -6.096 -4.902 7 HB2 ASN 15 HB2 ASN 15 0.444 -5.911 -5.505 8 HB3 ASN 15 HB3 ASN 15 0.490 -4.355 -4.695 9 HD21 ASN 15 HD21 ASN 15 2.004 -6.807 -4.165 10 HD22 ASN 15 HD22 ASN 15 1.677 -7.212 -2.519 11 H ARG 16 H ARG 16 -2.936 -5.693 -2.970 12 HA ARG 16 HA ARG 16 -3.120 -2.912 -2.010 13 HB2 ARG 16 HB2 ARG 16 -5.504 -4.800 -2.215 14 HB3 ARG 16 HB3 ARG 16 -5.541 -3.126 -1.669 15 HG2 ARG 16 HG2 ARG 16 -5.201 -2.308 -3.829 16 HG3 ARG 16 HG3 ARG 16 -4.632 -3.866 -4.419 17 HD2 ARG 16 HD2 ARG 16 -6.906 -4.761 -4.042 18 HD3 ARG 16 HD3 ARG 16 -7.476 -3.102 -3.709 19 HE ARG 16 HE ARG 16 -5.970 -3.385 -6.112 20 HH11 ARG 16 HH11 ARG 16 -9.311 -3.355 -4.821 21 HH12 ARG 16 HH12 ARG 16 -10.056 -3.488 -6.253 22 HH21 ARG 16 HH21 ARG 16 -6.937 -3.600 -8.144 23 HH22 ARG 16 HH22 ARG 16 -8.656 -3.614 -8.315 24 H HIS 17 H HIS 17 -5.027 -5.547 -0.720 25 HA HIS 17 HA HIS 17 -3.602 -5.308 1.722 26 HB2 HIS 17 HB2 HIS 17 -6.107 -6.659 0.949 27 HB3 HIS 17 HB3 HIS 17 -5.223 -7.345 2.310 28 HD1 HIS 17 HD1 HIS 17 -4.752 -5.669 4.365 29 HD2 HIS 17 HD2 HIS 17 -7.483 -4.365 1.497 30 HE1 HIS 17 HE1 HIS 17 -6.066 -3.807 5.432 31 H ALA 18 H ALA 18 -3.264 -7.237 -0.931 32 HA ALA 18 HA ALA 18 -1.922 -9.417 0.154 33 HB1 ALA 18 HB1 ALA 18 -0.720 -9.561 -1.980 34 HB2 ALA 18 HB2 ALA 18 -1.355 -7.967 -2.432 35 HB3 ALA 18 HB3 ALA 18 -2.453 -9.335 -2.164 36 H ALA 19 H ALA 19 -0.998 -6.104 0.173 37 HA ALA 19 HA ALA 19 1.765 -6.346 0.607 38 HB1 ALA 19 HB1 ALA 19 0.546 -4.204 0.217 39 HB2 ALA 19 HB2 ALA 19 1.609 -4.169 1.634 40 HB3 ALA 19 HB3 ALA 19 -0.138 -4.346 1.836 41 H ASP 20 H ASP 20 -1.001 -7.065 2.656 42 HA ASP 20 HA ASP 20 0.399 -7.217 5.119 43 HB2 ASP 20 HB2 ASP 20 -2.237 -8.411 4.256 44 HB3 ASP 20 HB3 ASP 20 -1.558 -8.706 5.847 45 H TYR 21 H TYR 21 0.294 -9.185 2.412 46 HA TYR 21 HA TYR 21 0.875 -11.707 3.519 47 HB2 TYR 21 HB2 TYR 21 0.613 -12.171 1.319 48 HB3 TYR 21 HB3 TYR 21 0.864 -10.497 0.888 49 HD1 TYR 21 HD1 TYR 21 2.395 -13.779 1.195 50 HD2 TYR 21 HD2 TYR 21 3.077 -9.743 0.099 51 HE1 TYR 21 HE1 TYR 21 4.384 -14.482 0.057 52 HE2 TYR 21 HE2 TYR 21 5.133 -10.402 -1.069 53 HH TYR 21 HH TYR 21 6.047 -13.690 -1.691 54 H GLN 22 H GLN 22 2.770 -8.897 2.986 55 HA GLN 22 HA GLN 22 5.289 -10.059 3.475 56 HB2 GLN 22 HB2 GLN 22 5.171 -7.910 2.391 57 HB3 GLN 22 HB3 GLN 22 4.298 -7.209 3.729 58 HG2 GLN 22 HG2 GLN 22 6.646 -6.528 3.676 59 HG3 GLN 22 HG3 GLN 22 6.219 -7.394 5.159 60 HE21 GLN 22 HE21 GLN 22 8.314 -8.007 5.602 61 HE22 GLN 22 HE22 GLN 22 9.172 -9.178 4.666 62 H GLN 23 H GLN 23 3.058 -8.246 5.597 63 HA GLN 23 HA GLN 23 4.460 -8.580 7.979 64 HB2 GLN 23 HB2 GLN 23 1.421 -8.369 7.650 65 HB3 GLN 23 HB3 GLN 23 2.255 -8.337 9.173 66 HG2 GLN 23 HG2 GLN 23 1.660 -6.101 8.548 67 HG3 GLN 23 HG3 GLN 23 3.408 -6.268 8.527 68 HE21 GLN 23 HE21 GLN 23 0.511 -5.777 6.572 69 HE22 GLN 23 HE22 GLN 23 1.381 -5.330 5.168 70 H LEU 24 H LEU 24 2.037 -10.602 6.468 71 HA LEU 24 HA LEU 24 1.718 -12.620 8.361 72 HB2 LEU 24 HB2 LEU 24 0.347 -12.454 6.353 73 HB3 LEU 24 HB3 LEU 24 1.737 -12.861 5.362 74 HG LEU 24 HG LEU 24 1.836 -14.990 6.799 75 HD11 LEU 24 HD11 LEU 24 0.260 -14.427 8.467 76 HD12 LEU 24 HD12 LEU 24 -0.293 -15.836 7.564 77 HD13 LEU 24 HD13 LEU 24 -1.017 -14.257 7.263 78 HD21 LEU 24 HD21 LEU 24 0.281 -16.149 5.318 79 HD22 LEU 24 HD22 LEU 24 1.450 -15.156 4.496 80 HD23 LEU 24 HD23 LEU 24 -0.237 -14.593 4.643 81 H ARG 25 H ARG 25 3.893 -12.621 5.527 82 HA ARG 25 HA ARG 25 4.923 -15.107 6.241 83 HB2 ARG 25 HB2 ARG 25 4.631 -14.129 3.938 84 HB3 ARG 25 HB3 ARG 25 6.103 -13.218 4.239 85 HG2 ARG 25 HG2 ARG 25 7.367 -15.178 4.486 86 HG3 ARG 25 HG3 ARG 25 5.884 -16.151 4.523 87 HD2 ARG 25 HD2 ARG 25 6.809 -16.436 2.331 88 HD3 ARG 25 HD3 ARG 25 5.412 -15.372 2.216 89 HE ARG 25 HE ARG 25 7.035 -13.522 2.125 90 HH11 ARG 25 HH11 ARG 25 8.337 -16.775 1.332 91 HH12 ARG 25 HH12 ARG 25 8.926 -16.210 -0.172 92 HH21 ARG 25 HH21 ARG 25 8.111 -12.895 0.009 93 HH22 ARG 25 HH22 ARG 25 8.823 -14.181 -0.872 94 H GLU 26 H GLU 26 6.005 -11.829 6.846 95 HA GLU 26 HA GLU 26 8.650 -12.417 7.681 96 HB2 GLU 26 HB2 GLU 26 7.525 -10.168 7.179 97 HB3 GLU 26 HB3 GLU 26 6.875 -10.278 8.806 98 HG2 GLU 26 HG2 GLU 26 9.798 -10.489 8.241 99 HG3 GLU 26 HG3 GLU 26 8.998 -8.946 8.429 100 H ARG 27 H ARG 27 5.572 -12.117 9.523 101 HA ARG 27 HA ARG 27 6.726 -12.943 11.929 102 HB2 ARG 27 HB2 ARG 27 4.717 -11.688 11.923 103 HB3 ARG 27 HB3 ARG 27 3.888 -12.940 11.004 104 HG2 ARG 27 HG2 ARG 27 3.455 -12.809 13.372 105 HG3 ARG 27 HG3 ARG 27 3.924 -14.447 12.834 106 HD2 ARG 27 HD2 ARG 27 6.292 -13.570 13.703 107 HD3 ARG 27 HD3 ARG 27 5.298 -12.427 14.612 108 HE ARG 27 HE ARG 27 4.261 -14.996 14.988 109 HH11 ARG 27 HH11 ARG 27 7.246 -13.256 15.866 110 HH12 ARG 27 HH12 ARG 27 7.528 -14.206 17.232 111 HH21 ARG 27 HH21 ARG 27 4.653 -16.272 16.723 112 HH22 ARG 27 HH22 ARG 27 5.982 -16.040 17.782 113 H LEU 28 H LEU 28 5.421 -14.712 9.225 114 HA LEU 28 HA LEU 28 5.147 -17.186 10.567 115 HB2 LEU 28 HB2 LEU 28 5.473 -16.509 7.677 116 HB3 LEU 28 HB3 LEU 28 5.439 -18.171 8.226 117 HG LEU 28 HG LEU 28 3.198 -16.236 8.790 118 HD11 LEU 28 HD11 LEU 28 3.500 -18.284 6.612 119 HD12 LEU 28 HD12 LEU 28 3.485 -16.534 6.388 120 HD13 LEU 28 HD13 LEU 28 2.045 -17.363 6.975 121 HD21 LEU 28 HD21 LEU 28 1.968 -18.279 9.153 122 HD22 LEU 28 HD22 LEU 28 3.324 -18.153 10.273 123 HD23 LEU 28 HD23 LEU 28 3.422 -19.232 8.872 124 H ILE 29 H ILE 29 7.807 -15.710 8.892 125 HA ILE 29 HA ILE 29 9.711 -17.739 8.958 126 HB ILE 29 HB ILE 29 9.796 -14.741 9.207 127 HG12 ILE 29 HG12 ILE 29 10.762 -16.585 7.019 128 HG13 ILE 29 HG11 ILE 29 9.209 -15.762 7.044 129 HG21 ILE 29 HG21 ILE 29 11.621 -15.441 10.497 130 HG22 ILE 29 HG22 ILE 29 12.215 -14.749 8.972 131 HG23 ILE 29 HG23 ILE 29 12.218 -16.510 9.217 132 HD11 ILE 29 HD11 ILE 29 11.914 -14.455 6.958 133 HD12 ILE 29 HD12 ILE 29 10.367 -13.606 6.988 134 HD13 ILE 29 HD13 ILE 29 10.792 -14.621 5.608 135 H GLN 30 H GLN 30 8.961 -15.310 11.396 136 HA GLN 30 HA GLN 30 10.680 -16.247 13.449 137 HB2 GLN 30 HB2 GLN 30 8.101 -14.742 13.612 138 HB3 GLN 30 HB3 GLN 30 9.291 -14.868 14.908 139 HG2 GLN 30 HG2 GLN 30 10.845 -13.553 13.602 140 HG3 GLN 30 HG3 GLN 30 9.713 -13.527 12.244 141 HE21 GLN 30 HE21 GLN 30 9.510 -11.276 12.250 142 HE22 GLN 30 HE22 GLN 30 8.678 -10.436 13.453 143 H GLU 31 H GLU 31 7.267 -16.695 12.784 144 HA GLU 31 HA GLU 31 6.370 -18.023 15.076 145 HB2 GLU 31 HB2 GLU 31 5.048 -16.875 13.259 146 HB3 GLU 31 HB3 GLU 31 5.313 -18.302 12.279 147 HG2 GLU 31 HG2 GLU 31 3.132 -18.418 13.190 148 HG3 GLU 31 HG3 GLU 31 4.126 -19.629 13.997 149 H LEU 32 H LEU 32 7.537 -19.300 11.971 150 HA LEU 32 HA LEU 32 7.053 -22.051 12.767 151 HB2 LEU 32 HB2 LEU 32 8.329 -20.984 10.269 152 HB3 LEU 32 HB3 LEU 32 7.718 -22.601 10.530 153 HG LEU 32 HG LEU 32 6.078 -20.080 10.289 154 HD11 LEU 32 HD11 LEU 32 6.423 -22.424 8.474 155 HD12 LEU 32 HD12 LEU 32 7.057 -20.793 8.227 156 HD13 LEU 32 HD13 LEU 32 5.306 -21.077 8.209 157 HD21 LEU 32 HD21 LEU 32 5.189 -22.940 10.641 158 HD22 LEU 32 HD22 LEU 32 4.155 -21.590 10.199 159 HD23 LEU 32 HD23 LEU 32 4.941 -21.609 11.785 160 H ASN 33 H ASN 33 9.446 -19.818 13.272 161 HA ASN 33 HA ASN 33 11.654 -19.815 13.815 162 HB2 ASN 33 HB2 ASN 33 10.809 -21.694 15.361 163 HB3 ASN 33 HB3 ASN 33 11.378 -22.832 14.155 164 HD21 ASN 33 HD21 ASN 33 13.613 -23.060 13.871 165 HD22 ASN 33 HD22 ASN 33 14.761 -22.542 15.073 166 H LEU 34 H LEU 34 11.167 -19.648 11.273 167 HA LEU 34 HA LEU 34 13.016 -21.464 9.904 168 HB2 LEU 34 HB2 LEU 34 10.451 -20.247 8.978 169 HB3 LEU 34 HB3 LEU 34 11.594 -20.861 7.825 170 HG LEU 34 HG LEU 34 9.970 -22.340 9.886 171 HD11 LEU 34 HD11 LEU 34 9.188 -23.599 7.967 172 HD12 LEU 34 HD12 LEU 34 10.215 -22.631 6.908 173 HD13 LEU 34 HD13 LEU 34 8.884 -21.872 7.782 174 HD21 LEU 34 HD21 LEU 34 12.287 -23.426 8.289 175 HD22 LEU 34 HD22 LEU 34 11.116 -24.417 9.154 176 HD23 LEU 34 HD23 LEU 34 12.173 -23.324 10.046 177 H THR 35 H THR 35 13.562 -20.361 7.657 178 HA THR 35 HA THR 35 14.474 -17.666 8.270 179 HB THR 35 HB THR 35 16.349 -18.208 6.662 180 HG1 THR 35 HG1 THR 35 16.482 -20.741 6.613 181 HG21 THR 35 HG21 THR 35 16.099 -20.077 9.023 182 HG22 THR 35 HG22 THR 35 16.701 -18.419 9.092 183 HG23 THR 35 HG23 THR 35 17.607 -19.653 8.211 184 HA PRO 36 HA PRO 36 12.202 -16.084 4.801 185 HB2 PRO 36 HB2 PRO 36 14.739 -15.105 3.588 186 HB3 PRO 36 HB3 PRO 36 13.268 -14.198 3.996 187 HG2 PRO 36 HG2 PRO 36 15.442 -13.966 5.475 188 HG3 PRO 36 HG3 PRO 36 13.826 -13.973 6.205 189 HD2 PRO 36 HD2 PRO 36 15.886 -16.109 6.191 190 HD3 PRO 36 HD3 PRO 36 14.690 -15.690 7.433 191 H GLN 37 H GLN 37 15.252 -17.635 3.885 192 HA GLN 37 HA GLN 37 14.405 -18.193 1.199 193 HB2 GLN 37 HB2 GLN 37 16.773 -19.343 2.696 194 HB3 GLN 37 HB3 GLN 37 16.505 -19.425 0.967 195 HG2 GLN 37 HG2 GLN 37 18.052 -17.736 1.100 196 HG3 GLN 37 HG3 GLN 37 16.557 -16.813 1.125 197 HE21 GLN 37 HE21 GLN 37 19.185 -16.100 2.089 198 HE22 GLN 37 HE22 GLN 37 19.016 -15.733 3.770 199 H GLN 38 H GLN 38 14.064 -19.816 4.224 200 HA GLN 38 HA GLN 38 13.711 -22.395 3.056 201 HB2 GLN 38 HB2 GLN 38 14.661 -22.092 5.283 202 HB3 GLN 38 HB3 GLN 38 13.205 -21.268 5.806 203 HG2 GLN 38 HG2 GLN 38 13.269 -23.481 6.632 204 HG3 GLN 38 HG3 GLN 38 11.944 -23.281 5.464 205 HE21 GLN 38 HE21 GLN 38 11.839 -25.497 5.060 206 HE22 GLN 38 HE22 GLN 38 13.074 -26.317 4.160 207 H LEU 39 H LEU 39 11.831 -19.619 3.987 208 HA LEU 39 HA LEU 39 9.381 -21.123 3.626 209 HB2 LEU 39 HB2 LEU 39 9.888 -19.338 5.516 210 HB3 LEU 39 HB3 LEU 39 9.415 -18.197 4.277 211 HG LEU 39 HG LEU 39 7.717 -20.397 5.453 212 HD11 LEU 39 HD11 LEU 39 6.422 -18.573 6.389 213 HD12 LEU 39 HD12 LEU 39 7.606 -17.418 5.773 214 HD13 LEU 39 HD13 LEU 39 8.076 -18.602 6.995 215 HD21 LEU 39 HD21 LEU 39 7.136 -20.015 3.138 216 HD22 LEU 39 HD22 LEU 39 7.003 -18.279 3.446 217 HD23 LEU 39 HD23 LEU 39 5.867 -19.410 4.209 218 H HIS 40 H HIS 40 9.914 -21.436 1.488 219 HA HIS 40 HA HIS 40 10.010 -19.376 -0.477 220 HB2 HIS 40 HB2 HIS 40 11.047 -21.457 -1.013 221 HB3 HIS 40 HB3 HIS 40 9.627 -22.364 -0.555 222 HD1 HIS 40 HD1 HIS 40 8.228 -23.143 -2.417 223 HD2 HIS 40 HD2 HIS 40 10.597 -19.922 -3.524 224 HE1 HIS 40 HE1 HIS 40 7.837 -22.798 -4.908 225 H GLU 41 H GLU 41 8.455 -18.788 -1.947 226 HA GLU 41 HA GLU 41 6.073 -17.913 -1.160 227 HB2 GLU 41 HB2 GLU 41 6.450 -18.916 -3.977 228 HB3 GLU 41 HB3 GLU 41 5.472 -17.571 -3.423 229 HG2 GLU 41 HG2 GLU 41 8.472 -17.702 -3.572 230 HG3 GLU 41 HG3 GLU 41 7.388 -16.713 -4.541 231 H GLU 42 H GLU 42 6.230 -20.830 -3.243 232 HA GLU 42 HA GLU 42 3.488 -21.423 -2.364 233 HB2 GLU 42 HB2 GLU 42 4.334 -21.238 -4.854 234 HB3 GLU 42 HB3 GLU 42 4.863 -22.892 -4.581 235 HG2 GLU 42 HG2 GLU 42 2.702 -22.960 -5.607 236 HG3 GLU 42 HG3 GLU 42 2.524 -23.467 -3.928 237 H SER 43 H SER 43 5.983 -22.067 -0.744 238 HA SER 43 HA SER 43 5.840 -24.938 -0.739 239 HB2 SER 43 HB2 SER 43 7.293 -22.999 1.063 240 HB3 SER 43 HB3 SER 43 7.405 -24.758 1.194 241 HG SER 43 HG SER 43 9.030 -24.316 -0.103 242 H ASN 44 H ASN 44 4.894 -26.202 0.755 243 HA ASN 44 HA ASN 44 2.465 -25.326 1.920 244 HB2 ASN 44 HB2 ASN 44 3.066 -27.764 1.138 245 HB3 ASN 44 HB3 ASN 44 4.000 -27.813 2.563 246 HD21 ASN 44 HD21 ASN 44 1.519 -29.274 1.658 247 HD22 ASN 44 HD22 ASN 44 0.460 -29.174 3.016 248 H LEU 45 H LEU 45 2.124 -24.412 3.819 249 HA LEU 45 HA LEU 45 4.325 -23.821 5.569 250 HB2 LEU 45 HB2 LEU 45 1.406 -23.288 5.942 251 HB3 LEU 45 HB3 LEU 45 2.693 -22.668 6.951 252 HG LEU 45 HG LEU 45 2.173 -22.032 4.085 253 HD11 LEU 45 HD11 LEU 45 1.766 -19.766 5.012 254 HD12 LEU 45 HD12 LEU 45 2.068 -20.416 6.627 255 HD13 LEU 45 HD13 LEU 45 0.672 -20.970 5.704 256 HD21 LEU 45 HD21 LEU 45 4.583 -22.112 4.497 257 HD22 LEU 45 HD22 LEU 45 4.388 -21.068 5.901 258 HD23 LEU 45 HD23 LEU 45 4.045 -20.448 4.283 259 H ILE 46 H ILE 46 1.537 -25.905 5.709 260 HA ILE 46 HA ILE 46 1.813 -26.588 8.462 261 HB ILE 46 HB ILE 46 0.480 -28.175 6.229 262 HG12 ILE 46 HG12 ILE 46 -0.639 -26.235 8.273 263 HG13 ILE 46 HG11 ILE 46 -0.499 -25.972 6.541 264 HG21 ILE 46 HG21 ILE 46 0.223 -28.506 9.228 265 HG22 ILE 46 HG22 ILE 46 1.015 -29.634 8.127 266 HG23 ILE 46 HG23 ILE 46 -0.726 -29.370 8.016 267 HD11 ILE 46 HD11 ILE 46 -2.270 -28.011 7.885 268 HD12 ILE 46 HD12 ILE 46 -2.135 -27.756 6.147 269 HD13 ILE 46 HD13 ILE 46 -2.793 -26.483 7.176 270 H GLN 47 H GLN 47 2.998 -27.885 5.535 271 HA GLN 47 HA GLN 47 4.456 -30.058 6.669 272 HB2 GLN 47 HB2 GLN 47 4.220 -28.732 4.097 273 HB3 GLN 47 HB3 GLN 47 5.557 -29.819 4.151 274 HG2 GLN 47 HG2 GLN 47 2.609 -30.362 4.461 275 HG3 GLN 47 HG3 GLN 47 3.686 -30.941 3.197 276 HE21 GLN 47 HE21 GLN 47 5.792 -31.678 5.169 277 HE22 GLN 47 HE22 GLN 47 5.186 -33.114 5.917 278 H ALA 48 H ALA 48 4.971 -26.758 6.712 279 HA ALA 48 HA ALA 48 7.874 -27.034 6.926 280 HB1 ALA 48 HB1 ALA 48 7.077 -25.397 5.266 281 HB2 ALA 48 HB2 ALA 48 7.999 -24.632 6.555 282 HB3 ALA 48 HB3 ALA 48 6.241 -24.517 6.544 283 H GLY 49 H GLY 49 5.185 -26.993 8.889 284 HA2 GLY 49 HA2 GLY 49 5.901 -27.241 11.283 285 HA3 GLY 49 HA3 GLY 49 6.743 -25.721 11.060 286 H LEU 50 H LEU 50 3.873 -25.431 9.423 287 HA LEU 50 HA LEU 50 2.630 -23.891 11.617 288 HB2 LEU 50 HB2 LEU 50 2.781 -23.084 9.202 289 HB3 LEU 50 HB3 LEU 50 1.635 -24.342 8.803 290 HG LEU 50 HG LEU 50 0.073 -23.253 10.493 291 HD11 LEU 50 HD11 LEU 50 2.049 -21.011 10.184 292 HD12 LEU 50 HD12 LEU 50 1.716 -21.918 11.660 293 HD13 LEU 50 HD13 LEU 50 0.466 -20.899 10.948 294 HD21 LEU 50 HD21 LEU 50 0.862 -21.702 8.034 295 HD22 LEU 50 HD22 LEU 50 -0.668 -21.560 8.899 296 HD23 LEU 50 HD23 LEU 50 -0.251 -23.069 8.088 297 H ASP 51 H ASP 51 1.296 -24.790 12.971 298 HA ASP 51 HA ASP 51 0.072 -27.294 12.344 299 HB2 ASP 51 HB2 ASP 51 -0.729 -27.064 14.717 300 HB3 ASP 51 HB3 ASP 51 1.022 -27.011 14.542 301 HA 4HH 52 HA 4HH 52 -3.851 -25.554 11.687 302 H 4HH 52 H 4HH 52 -2.280 -26.944 13.771 303 HB3 4HH 52 HB3 4HH 52 -4.232 -28.021 11.893 304 HB2 4HH 52 HB2 4HH 52 -4.583 -27.792 13.618 305 HJ3 4HH 52 HJ3 4HH 52 -7.973 -26.722 14.219 306 HJ2 4HH 52 HJ2 4HH 52 -9.021 -28.121 14.330 307 HL13 4HH 52 HL13 4HH 52 -11.410 -26.049 11.891 308 HL12 4HH 52 HL12 4HH 52 -10.002 -26.774 11.214 309 HL11 4HH 52 HL11 4HH 52 -11.195 -27.734 12.185 310 HL21 4HH 52 HL21 4HH 52 -8.788 -24.826 12.426 311 HL23 4HH 52 HL23 4HH 52 -10.395 -24.384 12.916 312 HL22 4HH 52 HL22 4HH 52 -9.216 -24.500 14.153 313 HL3 4HH 52 HL3 4HH 52 -12.027 -26.415 14.086 314 HM 4HH 52 HM 4HH 52 -10.172 -27.423 15.963 315 HN 4HH 52 HN 4HH 52 -12.703 -24.855 16.299 316 HO2 4HH 52 HO2 4HH 52 -11.913 -23.387 13.905 317 HO3 4HH 52 HO3 4HH 52 -11.851 -22.460 15.434 318 HP3 4HH 52 HP3 4HH 52 -14.166 -23.871 14.090 319 HP2 4HH 52 HP2 4HH 52 -14.303 -23.158 15.686 320 HS2 4HH 52 HS2 4HH 52 -12.878 -19.459 14.220 321 HS3 4HH 52 HS3 4HH 52 -11.544 -20.626 14.004 322 HT3 4HH 52 HT3 4HH 52 -11.375 -19.945 11.699 323 HT2 4HH 52 HT2 4HH 52 -11.479 -18.478 12.668 324 HR 4HH 52 HR 4HH 52 -13.552 -21.402 12.276 325 HU 4HH 52 HU 4HH 52 -14.298 -18.272 12.178 326 H ILE 53 H ILE 53 -2.689 -25.107 14.636 327 HA ILE 53 HA ILE 53 -5.052 -23.686 15.547 328 HB ILE 53 HB ILE 53 -2.453 -24.345 16.916 329 HG12 ILE 53 HG12 ILE 53 -3.926 -26.257 16.656 330 HG13 ILE 53 HG11 ILE 53 -3.919 -25.815 18.348 331 HG21 ILE 53 HG21 ILE 53 -3.468 -23.379 18.988 332 HG22 ILE 53 HG22 ILE 53 -4.869 -22.871 18.043 333 HG23 ILE 53 HG23 ILE 53 -3.293 -22.157 17.725 334 HD11 ILE 53 HD11 ILE 53 -6.134 -26.397 17.678 335 HD12 ILE 53 HD12 ILE 53 -6.093 -25.248 16.350 336 HD13 ILE 53 HD13 ILE 53 -6.086 -24.666 18.018 337 H ARG 54 H ARG 54 -1.668 -23.282 14.709 338 HA ARG 54 HA ARG 54 -1.669 -20.477 14.750 339 HB2 ARG 54 HB2 ARG 54 -0.044 -22.503 13.360 340 HB3 ARG 54 HB3 ARG 54 0.173 -20.776 13.095 341 HG2 ARG 54 HG2 ARG 54 0.523 -20.493 15.480 342 HG3 ARG 54 HG3 ARG 54 0.417 -22.260 15.664 343 HD2 ARG 54 HD2 ARG 54 2.161 -22.556 14.094 344 HD3 ARG 54 HD3 ARG 54 2.129 -20.803 13.828 345 HE ARG 54 HE ARG 54 3.196 -20.442 15.866 346 HH11 ARG 54 HH11 ARG 54 2.641 -23.915 15.520 347 HH12 ARG 54 HH12 ARG 54 4.098 -24.408 16.216 348 HH21 ARG 54 HH21 ARG 54 5.221 -21.058 16.842 349 HH22 ARG 54 HH22 ARG 54 5.646 -22.702 17.038 350 H LEU 55 H LEU 55 -2.405 -22.848 12.216 351 HA LEU 55 HA LEU 55 -2.789 -21.174 9.986 352 HB2 LEU 55 HB2 LEU 55 -2.815 -23.729 10.137 353 HB3 LEU 55 HB3 LEU 55 -4.428 -23.596 10.770 354 HG LEU 55 HG LEU 55 -4.635 -24.298 8.563 355 HD11 LEU 55 HD11 LEU 55 -6.267 -22.697 9.070 356 HD12 LEU 55 HD12 LEU 55 -5.854 -22.666 7.353 357 HD13 LEU 55 HD13 LEU 55 -5.242 -21.399 8.439 358 HD21 LEU 55 HD21 LEU 55 -3.731 -23.193 6.647 359 HD22 LEU 55 HD22 LEU 55 -2.511 -23.887 7.734 360 HD23 LEU 55 HD23 LEU 55 -2.790 -22.125 7.714 361 H MET 56 H MET 56 -5.262 -22.378 12.260 362 HA MET 56 HA MET 56 -7.288 -20.746 11.254 363 HB2 MET 56 HB2 MET 56 -7.743 -22.749 12.569 364 HB3 MET 56 HB3 MET 56 -7.050 -22.003 13.989 365 HG2 MET 56 HG2 MET 56 -9.481 -20.853 12.608 366 HG3 MET 56 HG3 MET 56 -9.617 -22.103 13.842 367 HE1 MET 56 HE1 MET 56 -8.040 -20.222 16.870 368 HE2 MET 56 HE2 MET 56 -6.960 -20.558 15.525 369 HE3 MET 56 HE3 MET 56 -8.193 -21.772 15.965 370 H ARG 57 H ARG 57 -4.944 -20.206 13.797 371 HA ARG 57 HA ARG 57 -5.920 -17.894 14.926 372 HB2 ARG 57 HB2 ARG 57 -3.890 -19.256 15.499 373 HB3 ARG 57 HB3 ARG 57 -3.092 -18.266 14.273 374 HG2 ARG 57 HG2 ARG 57 -3.769 -16.249 15.475 375 HG3 ARG 57 HG3 ARG 57 -4.442 -17.271 16.754 376 HD2 ARG 57 HD2 ARG 57 -2.362 -16.786 17.519 377 HD3 ARG 57 HD3 ARG 57 -2.291 -18.390 16.726 378 HE ARG 57 HE ARG 57 -1.647 -16.297 14.928 379 HH11 ARG 57 HH11 ARG 57 -0.051 -18.454 17.294 380 HH12 ARG 57 HH12 ARG 57 1.521 -18.108 16.717 381 HH21 ARG 57 HH21 ARG 57 0.540 -15.817 14.218 382 HH22 ARG 57 HH22 ARG 57 1.852 -16.564 15.021 383 H TRP 58 H TRP 58 -3.971 -18.472 12.027 384 HA TRP 58 HA TRP 58 -3.534 -15.785 11.269 385 HB2 TRP 58 HB2 TRP 58 -3.247 -18.411 9.891 386 HB3 TRP 58 HB3 TRP 58 -3.014 -16.960 8.958 387 HD1 TRP 58 HD1 TRP 58 -1.021 -19.408 10.358 388 HE1 TRP 58 HE1 TRP 58 1.255 -18.542 11.243 389 HE3 TRP 58 HE3 TRP 58 -2.096 -14.420 10.628 390 HZ2 TRP 58 HZ2 TRP 58 2.439 -16.020 11.928 391 HZ3 TRP 58 HZ3 TRP 58 -0.364 -12.868 11.395 392 HH2 TRP 58 HH2 TRP 58 1.846 -13.657 12.032 393 H LEU 59 H LEU 59 -5.840 -18.238 10.257 394 HA LEU 59 HA LEU 59 -7.194 -16.728 8.309 395 HB2 LEU 59 HB2 LEU 59 -7.475 -19.187 8.749 396 HB3 LEU 59 HB3 LEU 59 -8.386 -18.778 10.181 397 HG LEU 59 HG LEU 59 -9.765 -19.515 8.239 398 HD11 LEU 59 HD11 LEU 59 -11.508 -17.832 8.376 399 HD12 LEU 59 HD12 LEU 59 -10.382 -16.747 9.193 400 HD13 LEU 59 HD13 LEU 59 -10.857 -18.262 9.958 401 HD21 LEU 59 HD21 LEU 59 -10.155 -17.990 6.382 402 HD22 LEU 59 HD22 LEU 59 -8.469 -18.507 6.451 403 HD23 LEU 59 HD23 LEU 59 -8.925 -16.900 7.015 404 H HIS 60 H HIS 60 -7.625 -17.039 11.743 405 HA HIS 60 HA HIS 60 -9.798 -15.377 12.147 406 HB2 HIS 60 HB2 HIS 60 -8.828 -16.813 13.888 407 HB3 HIS 60 HB3 HIS 60 -7.351 -15.867 13.874 408 HD1 HIS 60 HD1 HIS 60 -7.307 -13.792 15.375 409 HD2 HIS 60 HD2 HIS 60 -10.984 -15.602 15.032 410 HE1 HIS 60 HE1 HIS 60 -8.774 -12.655 17.092 411 H TRP 61 H TRP 61 -6.329 -14.625 12.092 412 HA TRP 61 HA TRP 61 -6.444 -11.876 12.541 413 HB2 TRP 61 HB2 TRP 61 -4.346 -13.100 12.666 414 HB3 TRP 61 HB3 TRP 61 -4.467 -13.560 10.981 415 HD1 TRP 61 HD1 TRP 61 -3.947 -10.309 13.071 416 HE1 TRP 61 HE1 TRP 61 -2.340 -8.770 11.704 417 HE3 TRP 61 HE3 TRP 61 -3.437 -13.111 8.820 418 HZ2 TRP 61 HZ2 TRP 61 -1.075 -8.745 9.243 419 HZ3 TRP 61 HZ3 TRP 61 -2.003 -12.252 7.018 420 HH2 TRP 61 HH2 TRP 61 -0.848 -10.121 7.225 421 H PHE 62 H PHE 62 -6.475 -13.666 9.492 422 HA PHE 62 HA PHE 62 -6.779 -11.471 7.762 423 HB2 PHE 62 HB2 PHE 62 -7.676 -14.341 7.456 424 HB3 PHE 62 HB3 PHE 62 -7.848 -13.149 6.184 425 HD1 PHE 62 HD1 PHE 62 -5.546 -11.838 5.740 426 HD2 PHE 62 HD2 PHE 62 -5.909 -15.775 7.271 427 HE1 PHE 62 HE1 PHE 62 -3.294 -12.393 4.886 428 HE2 PHE 62 HE2 PHE 62 -3.678 -16.330 6.439 429 HZ PHE 62 HZ PHE 62 -2.364 -14.635 5.239 430 H ARG 63 H ARG 63 -9.205 -13.605 9.164 431 HA ARG 63 HA ARG 63 -11.527 -12.574 7.996 432 HB2 ARG 63 HB2 ARG 63 -11.141 -14.687 9.429 433 HB3 ARG 63 HB3 ARG 63 -11.384 -13.634 10.809 434 HG2 ARG 63 HG2 ARG 63 -13.455 -14.648 10.423 435 HG3 ARG 63 HG3 ARG 63 -13.610 -13.022 9.748 436 HD2 ARG 63 HD2 ARG 63 -13.049 -13.944 7.516 437 HD3 ARG 63 HD3 ARG 63 -12.998 -15.543 8.268 438 HE ARG 63 HE ARG 63 -15.450 -14.259 8.800 439 HH11 ARG 63 HH11 ARG 63 -13.814 -16.042 6.180 440 HH12 ARG 63 HH12 ARG 63 -15.225 -16.514 5.396 441 HH21 ARG 63 HH21 ARG 63 -17.450 -14.930 7.690 442 HH22 ARG 63 HH22 ARG 63 -17.358 -15.869 6.276 443 H LYS 64 H LYS 64 -9.854 -11.764 10.934 444 HA LYS 64 HA LYS 64 -11.699 -9.829 11.946 445 HB2 LYS 64 HB2 LYS 64 -10.098 -11.312 13.229 446 HB3 LYS 64 HB3 LYS 64 -8.828 -10.301 12.601 447 HG2 LYS 64 HG2 LYS 64 -10.150 -8.358 13.688 448 HG3 LYS 64 HG3 LYS 64 -10.902 -9.647 14.631 449 HD2 LYS 64 HD2 LYS 64 -8.967 -8.770 15.811 450 HD3 LYS 64 HD3 LYS 64 -8.715 -10.447 15.288 451 HE2 LYS 64 HE2 LYS 64 -6.760 -8.831 14.901 452 HE3 LYS 64 HE3 LYS 64 -7.229 -9.800 13.519 453 HZ1 LYS 64 HZ1 LYS 64 -7.825 -6.894 13.985 454 HZ2 LYS 64 HZ2 LYS 64 -8.621 -7.806 12.825 455 HZ3 LYS 64 HZ3 LYS 64 -6.994 -7.603 12.679 456 H ASN 65 H ASN 65 -9.444 -9.727 9.444 457 HA ASN 65 HA ASN 65 -9.045 -6.837 9.731 458 HB2 ASN 65 HB2 ASN 65 -7.433 -8.947 8.322 459 HB3 ASN 65 HB3 ASN 65 -7.369 -7.289 7.748 460 HD21 ASN 65 HD21 ASN 65 -5.195 -7.135 8.247 461 HD22 ASN 65 HD22 ASN 65 -4.600 -7.001 9.845 462 H GLY 66 H GLY 66 -11.190 -8.834 8.472 463 HA2 GLY 66 HA2 GLY 66 -12.964 -8.010 7.156 464 HA3 GLY 66 HA3 GLY 66 -11.847 -6.894 6.391 465 H TYR 67 H TYR 67 -10.398 -9.894 6.529 466 HA TYR 67 HA TYR 67 -10.623 -10.223 3.728 467 HB2 TYR 67 HB2 TYR 67 -9.357 -11.804 5.883 468 HB3 TYR 67 HB3 TYR 67 -9.506 -12.480 4.267 469 HD1 TYR 67 HD1 TYR 67 -8.047 -9.706 6.233 470 HD2 TYR 67 HD2 TYR 67 -8.106 -11.816 2.558 471 HE1 TYR 67 HE1 TYR 67 -5.985 -8.560 5.551 472 HE2 TYR 67 HE2 TYR 67 -6.099 -10.711 1.850 473 HH TYR 67 HH TYR 67 -4.221 -8.688 4.044 474 H ARG 68 H ARG 68 -11.808 -11.379 2.570 475 HA ARG 68 HA ARG 68 -14.009 -12.874 3.753 476 HB2 ARG 68 HB2 ARG 68 -13.373 -12.165 0.860 477 HB3 ARG 68 HB3 ARG 68 -14.873 -12.886 1.439 478 HG2 ARG 68 HG2 ARG 68 -15.472 -10.941 2.609 479 HG3 ARG 68 HG3 ARG 68 -13.869 -10.229 2.394 480 HD2 ARG 68 HD2 ARG 68 -14.265 -10.041 -0.005 481 HD3 ARG 68 HD3 ARG 68 -15.836 -10.823 0.175 482 HE ARG 68 HE ARG 68 -16.320 -8.846 1.702 483 HH11 ARG 68 HH11 ARG 68 -14.115 -8.467 -1.128 484 HH12 ARG 68 HH12 ARG 68 -14.673 -6.885 -1.436 485 HH21 ARG 68 HH21 ARG 68 -16.967 -6.558 1.161 486 HH22 ARG 68 HH22 ARG 68 -16.211 -5.814 -0.156 487 H LEU 69 H LEU 69 -11.934 -14.207 4.446 488 HA LEU 69 HA LEU 69 -11.382 -16.327 2.467 489 HB2 LEU 69 HB2 LEU 69 -9.782 -15.430 4.863 490 HB3 LEU 69 HB3 LEU 69 -9.417 -16.859 3.926 491 HG LEU 69 HG LEU 69 -9.351 -14.027 2.882 492 HD11 LEU 69 HD11 LEU 69 -7.543 -14.507 4.468 493 HD12 LEU 69 HD12 LEU 69 -6.935 -14.353 2.821 494 HD13 LEU 69 HD13 LEU 69 -7.122 -15.949 3.546 495 HD21 LEU 69 HD21 LEU 69 -9.947 -15.599 1.169 496 HD22 LEU 69 HD22 LEU 69 -8.607 -16.650 1.629 497 HD23 LEU 69 HD23 LEU 69 -8.288 -15.053 0.942 498 H THR 70 H THR 70 -11.869 -18.396 2.958 499 HA THR 70 HA THR 70 -13.244 -18.804 5.487 500 HB THR 70 HB THR 70 -13.131 -20.648 3.124 501 HG1 THR 70 HG1 THR 70 -14.049 -18.857 2.279 502 HG21 THR 70 HG21 THR 70 -15.285 -21.464 4.022 503 HG22 THR 70 HG22 THR 70 -15.165 -20.298 5.339 504 HG23 THR 70 HG23 THR 70 -13.990 -21.607 5.212 505 H LEU 71 H LEU 71 -12.664 -20.497 6.760 506 HA LEU 71 HA LEU 71 -9.882 -20.939 7.087 507 HB2 LEU 71 HB2 LEU 71 -11.495 -20.840 8.947 508 HB3 LEU 71 HB3 LEU 71 -12.226 -22.323 8.389 509 HG LEU 71 HG LEU 71 -10.127 -23.507 8.870 510 HD11 LEU 71 HD11 LEU 71 -8.441 -22.452 10.299 511 HD12 LEU 71 HD12 LEU 71 -9.263 -20.912 10.148 512 HD13 LEU 71 HD13 LEU 71 -8.528 -21.667 8.723 513 HD21 LEU 71 HD21 LEU 71 -10.306 -23.438 11.291 514 HD22 LEU 71 HD22 LEU 71 -11.884 -23.570 10.510 515 HD23 LEU 71 HD23 LEU 71 -11.343 -22.025 11.191 516 H ARG 72 H ARG 72 -12.345 -22.876 5.612 517 HA ARG 72 HA ARG 72 -10.865 -25.288 5.560 518 HB2 ARG 72 HB2 ARG 72 -13.333 -25.176 5.271 519 HB3 ARG 72 HB3 ARG 72 -13.052 -24.430 3.700 520 HG2 ARG 72 HG2 ARG 72 -11.958 -26.450 2.901 521 HG3 ARG 72 HG3 ARG 72 -12.176 -27.206 4.478 522 HD2 ARG 72 HD2 ARG 72 -14.606 -27.056 4.211 523 HD3 ARG 72 HD3 ARG 72 -14.386 -26.293 2.636 524 HE ARG 72 HE ARG 72 -12.991 -28.693 2.661 525 HH11 ARG 72 HH11 ARG 72 -16.355 -27.594 2.700 526 HH12 ARG 72 HH12 ARG 72 -17.002 -28.964 1.935 527 HH21 ARG 72 HH21 ARG 72 -13.861 -30.633 1.583 528 HH22 ARG 72 HH22 ARG 72 -15.523 -30.756 1.278 529 H GLU 73 H GLU 73 -10.763 -22.437 3.560 530 HA GLU 73 HA GLU 73 -9.742 -23.644 1.214 531 HB2 GLU 73 HB2 GLU 73 -9.536 -20.787 2.186 532 HB3 GLU 73 HB3 GLU 73 -9.173 -21.333 0.552 533 HG2 GLU 73 HG2 GLU 73 -11.425 -22.035 0.244 534 HG3 GLU 73 HG3 GLU 73 -11.840 -21.565 1.902 535 H LEU 74 H LEU 74 -8.207 -21.693 3.785 536 HA LEU 74 HA LEU 74 -5.673 -22.005 2.984 537 HB2 LEU 74 HB2 LEU 74 -6.905 -21.460 5.652 538 HB3 LEU 74 HB3 LEU 74 -5.170 -21.618 5.507 539 HG LEU 74 HG LEU 74 -5.205 -19.797 3.844 540 HD11 LEU 74 HD11 LEU 74 -8.045 -19.516 4.601 541 HD12 LEU 74 HD12 LEU 74 -7.313 -19.860 3.005 542 HD13 LEU 74 HD13 LEU 74 -7.063 -18.283 3.777 543 HD21 LEU 74 HD21 LEU 74 -4.583 -19.322 6.110 544 HD22 LEU 74 HD22 LEU 74 -6.275 -19.102 6.568 545 HD23 LEU 74 HD23 LEU 74 -5.501 -17.973 5.448 546 H TYR 75 H TYR 75 -7.690 -24.256 4.814 547 HA TYR 75 HA TYR 75 -5.488 -25.912 5.603 548 HB2 TYR 75 HB2 TYR 75 -8.466 -26.267 5.862 549 HB3 TYR 75 HB3 TYR 75 -7.393 -27.665 6.106 550 HD1 TYR 75 HD1 TYR 75 -5.294 -26.786 7.533 551 HD2 TYR 75 HD2 TYR 75 -9.274 -25.436 7.631 552 HE1 TYR 75 HE1 TYR 75 -4.960 -26.014 9.849 553 HE2 TYR 75 HE2 TYR 75 -8.975 -24.648 9.926 554 HH TYR 75 HH TYR 75 -7.229 -25.394 11.865 555 H ALA 76 H ALA 76 -7.424 -25.685 2.807 556 HA ALA 76 HA ALA 76 -6.731 -28.319 1.982 557 HB1 ALA 76 HB1 ALA 76 -8.890 -27.394 1.302 558 HB2 ALA 76 HB2 ALA 76 -7.916 -27.786 -0.117 559 HB3 ALA 76 HB3 ALA 76 -8.071 -26.111 0.412 560 H ALA 77 H ALA 77 -5.756 -25.021 1.316 561 HA ALA 77 HA ALA 77 -3.333 -26.064 0.075 562 HB1 ALA 77 HB1 ALA 77 -4.899 -23.705 -0.984 563 HB2 ALA 77 HB2 ALA 77 -4.791 -25.291 -1.749 564 HB3 ALA 77 HB3 ALA 77 -3.349 -24.285 -1.595 565 HA PRO 78 HA PRO 78 -2.089 -22.919 3.050 566 HB2 PRO 78 HB2 PRO 78 -0.455 -24.563 4.522 567 HB3 PRO 78 HB3 PRO 78 -2.184 -24.345 4.858 568 HG2 PRO 78 HG2 PRO 78 -0.884 -26.719 3.935 569 HG3 PRO 78 HG3 PRO 78 -2.602 -26.469 4.284 570 HD2 PRO 78 HD2 PRO 78 -1.214 -26.442 1.684 571 HD3 PRO 78 HD3 PRO 78 -2.929 -26.726 2.058 572 H THR 79 H THR 79 -0.968 -22.090 1.171 573 HA THR 79 HA THR 79 1.891 -22.469 1.347 574 HB THR 79 HB THR 79 1.930 -22.236 -1.191 575 HG1 THR 79 HG1 THR 79 0.223 -22.119 -2.196 576 HG21 THR 79 HG21 THR 79 1.527 -24.592 -1.678 577 HG22 THR 79 HG22 THR 79 0.705 -24.783 -0.121 578 HG23 THR 79 HG23 THR 79 2.431 -24.385 -0.180 579 H LEU 80 H LEU 80 2.966 -20.471 0.697 580 HA LEU 80 HA LEU 80 1.324 -18.307 1.566 581 HB2 LEU 80 HB2 LEU 80 4.010 -18.875 1.755 582 HB3 LEU 80 HB3 LEU 80 3.954 -17.520 0.644 583 HG LEU 80 HG LEU 80 4.227 -16.705 2.980 584 HD11 LEU 80 HD11 LEU 80 1.480 -16.073 2.102 585 HD12 LEU 80 HD12 LEU 80 2.942 -15.529 1.299 586 HD13 LEU 80 HD13 LEU 80 2.663 -15.074 2.988 587 HD21 LEU 80 HD21 LEU 80 1.612 -18.042 3.465 588 HD22 LEU 80 HD22 LEU 80 2.571 -17.017 4.547 589 HD23 LEU 80 HD23 LEU 80 3.205 -18.584 4.037 590 H ALA 81 H ALA 81 2.600 -19.249 -1.548 591 HA ALA 81 HA ALA 81 2.014 -16.726 -2.708 592 HB1 ALA 81 HB1 ALA 81 3.635 -18.282 -3.735 593 HB2 ALA 81 HB2 ALA 81 2.392 -17.750 -4.868 594 HB3 ALA 81 HB3 ALA 81 2.304 -19.358 -4.150 595 H ALA 82 H ALA 82 0.270 -19.833 -2.753 596 HA ALA 82 HA ALA 82 -2.035 -18.894 -4.001 597 HB1 ALA 82 HB1 ALA 82 -1.899 -20.973 -1.822 598 HB2 ALA 82 HB2 ALA 82 -1.753 -21.276 -3.565 599 HB3 ALA 82 HB3 ALA 82 -3.269 -20.664 -2.878 600 H TRP 83 H TRP 83 -1.183 -18.796 -0.551 601 HA TRP 83 HA TRP 83 -3.584 -17.637 0.298 602 HB2 TRP 83 HB2 TRP 83 -0.823 -17.512 1.437 603 HB3 TRP 83 HB3 TRP 83 -2.158 -16.633 2.168 604 HD1 TRP 83 HD1 TRP 83 -3.239 -19.976 0.827 605 HE1 TRP 83 HE1 TRP 83 -3.488 -21.619 2.721 606 HE3 TRP 83 HE3 TRP 83 -1.125 -17.182 4.422 607 HZ2 TRP 83 HZ2 TRP 83 -2.890 -21.702 5.500 608 HZ3 TRP 83 HZ3 TRP 83 -1.013 -18.082 6.756 609 HH2 TRP 83 HH2 TRP 83 -1.911 -20.314 7.253 610 H ASN 84 H ASN 84 -0.575 -16.090 -0.615 611 HA ASN 84 HA ASN 84 -1.343 -13.438 -0.502 612 HB2 ASN 84 HB2 ASN 84 0.919 -13.974 -0.989 613 HB3 ASN 84 HB3 ASN 84 0.545 -14.865 -2.435 614 HD21 ASN 84 HD21 ASN 84 1.888 -13.694 -3.714 615 HD22 ASN 84 HD22 ASN 84 1.626 -12.023 -4.099 616 H GLN 85 H GLN 85 -1.922 -15.694 -3.192 617 HA GLN 85 HA GLN 85 -3.395 -14.021 -4.910 618 HB2 GLN 85 HB2 GLN 85 -3.806 -16.988 -4.410 619 HB3 GLN 85 HB3 GLN 85 -4.374 -16.102 -5.815 620 HG2 GLN 85 HG2 GLN 85 -2.092 -15.739 -6.530 621 HG3 GLN 85 HG3 GLN 85 -1.487 -16.508 -5.062 622 HE21 GLN 85 HE21 GLN 85 -0.422 -18.176 -6.080 623 HE22 GLN 85 HE22 GLN 85 -1.235 -19.432 -6.910 624 H LEU 86 H LEU 86 -4.471 -16.214 -2.339 625 HA LEU 86 HA LEU 86 -7.232 -15.732 -2.380 626 HB2 LEU 86 HB2 LEU 86 -5.503 -16.490 -0.030 627 HB3 LEU 86 HB3 LEU 86 -7.243 -16.598 -0.080 628 HG LEU 86 HG LEU 86 -5.345 -18.247 -1.770 629 HD11 LEU 86 HD11 LEU 86 -5.359 -18.758 0.658 630 HD12 LEU 86 HD12 LEU 86 -5.952 -20.058 -0.385 631 HD13 LEU 86 HD13 LEU 86 -7.106 -19.054 0.508 632 HD21 LEU 86 HD21 LEU 86 -8.317 -18.409 -1.408 633 HD22 LEU 86 HD22 LEU 86 -7.301 -19.585 -2.216 634 HD23 LEU 86 HD23 LEU 86 -7.478 -17.956 -2.914 635 H MET 87 H MET 87 -4.648 -13.777 -1.198 636 HA MET 87 HA MET 87 -6.197 -12.493 0.867 637 HB2 MET 87 HB2 MET 87 -3.382 -12.087 -0.112 638 HB3 MET 87 HB3 MET 87 -4.125 -11.031 1.075 639 HG2 MET 87 HG2 MET 87 -4.419 -12.924 2.581 640 HG3 MET 87 HG3 MET 87 -3.711 -13.996 1.374 641 HE1 MET 87 HE1 MET 87 -3.141 -10.875 3.622 642 HE2 MET 87 HE2 MET 87 -2.469 -10.315 2.091 643 HE3 MET 87 HE3 MET 87 -1.409 -10.613 3.458 644 H LEU 88 H LEU 88 -4.636 -11.637 -2.162 645 HA LEU 88 HA LEU 88 -5.608 -9.045 -2.237 646 HB2 LEU 88 HB2 LEU 88 -3.778 -9.364 -3.533 647 HB3 LEU 88 HB3 LEU 88 -4.247 -10.991 -4.002 648 HG LEU 88 HG LEU 88 -5.896 -10.096 -5.300 649 HD11 LEU 88 HD11 LEU 88 -6.160 -7.783 -4.381 650 HD12 LEU 88 HD12 LEU 88 -5.682 -7.593 -6.068 651 HD13 LEU 88 HD13 LEU 88 -4.487 -7.400 -4.786 652 HD21 LEU 88 HD21 LEU 88 -4.419 -9.350 -7.183 653 HD22 LEU 88 HD22 LEU 88 -3.870 -10.804 -6.312 654 HD23 LEU 88 HD23 LEU 88 -3.121 -9.231 -5.999 655 H SER 89 H SER 89 -6.741 -12.133 -3.567 656 HA SER 89 HA SER 89 -8.796 -10.934 -5.060 657 HB2 SER 89 HB2 SER 89 -8.516 -13.821 -4.218 658 HB3 SER 89 HB3 SER 89 -9.530 -13.211 -5.528 659 HG SER 89 HG SER 89 -6.734 -13.392 -5.354 660 H ARG 90 H ARG 90 -8.557 -11.465 -1.725 661 HA ARG 90 HA ARG 90 -11.446 -11.138 -1.461 662 HB2 ARG 90 HB2 ARG 90 -9.794 -13.044 0.175 663 HB3 ARG 90 HB3 ARG 90 -11.375 -12.492 0.673 664 HG2 ARG 90 HG2 ARG 90 -11.852 -14.523 -0.283 665 HG3 ARG 90 HG3 ARG 90 -12.121 -13.432 -1.639 666 HD2 ARG 90 HD2 ARG 90 -9.923 -13.904 -2.488 667 HD3 ARG 90 HD3 ARG 90 -9.567 -14.906 -1.100 668 HE ARG 90 HE ARG 90 -11.018 -15.651 -3.429 669 HH11 ARG 90 HH11 ARG 90 -11.107 -16.239 0.090 670 HH12 ARG 90 HH12 ARG 90 -11.472 -17.891 -0.069 671 HH21 ARG 90 HH21 ARG 90 -11.584 -18.048 -3.554 672 HH22 ARG 90 HH22 ARG 90 -11.701 -18.846 -2.026 673 H SER 91 H SER 91 -9.209 -9.273 -1.366 674 HA SER 91 HA SER 91 -8.794 -8.421 1.293 675 HB2 SER 91 HB2 SER 91 -8.823 -6.845 -1.306 676 HB3 SER 91 HB3 SER 91 -8.149 -6.276 0.220 677 HG SER 91 HG SER 91 -7.153 -8.706 -0.441 678 HA PRO 92 HA PRO 92 -12.811 -6.617 2.052 679 HB2 PRO 92 HB2 PRO 92 -12.105 -4.466 3.633 680 HB3 PRO 92 HB3 PRO 92 -12.255 -6.124 4.250 681 HG2 PRO 92 HG2 PRO 92 -9.813 -4.608 3.550 682 HG3 PRO 92 HG3 PRO 92 -10.080 -5.800 4.837 683 HD2 PRO 92 HD2 PRO 92 -8.765 -6.389 2.541 684 HD3 PRO 92 HD3 PRO 92 -9.697 -7.582 3.465 685 H GLU 93 H GLU 93 -13.764 -5.619 0.391 686 HA GLU 93 HA GLU 93 -13.522 -2.956 -0.215 687 HB2 GLU 93 HB2 GLU 93 -11.450 -3.922 -1.347 688 HB3 GLU 93 HB3 GLU 93 -12.507 -5.016 -2.221 689 HG2 GLU 93 HG2 GLU 93 -13.574 -3.212 -3.279 690 HG3 GLU 93 HG3 GLU 93 -12.622 -2.040 -2.359 Start of MODEL 4 1 H ASP 14 HT1 ASP 14 -2.999 -2.817 -8.176 2 HA ASP 14 HA ASP 14 -1.026 -4.218 -9.810 3 HB2 ASP 14 HB2 ASP 14 0.462 -2.305 -8.808 4 HB3 ASP 14 HB3 ASP 14 -0.519 -1.986 -10.235 5 H ASN 15 H ASN 15 -2.555 -5.324 -7.581 6 HA ASN 15 HA ASN 15 -2.226 -6.658 -5.856 7 HB2 ASN 15 HB2 ASN 15 -0.017 -7.288 -6.905 8 HB3 ASN 15 HB3 ASN 15 0.749 -6.019 -5.954 9 HD21 ASN 15 HD21 ASN 15 -0.568 -9.183 -5.985 10 HD22 ASN 15 HD22 ASN 15 -0.081 -9.619 -4.377 11 H ARG 16 H ARG 16 -3.449 -5.334 -4.644 12 HA ARG 16 HA ARG 16 -2.112 -3.277 -3.095 13 HB2 ARG 16 HB2 ARG 16 -4.955 -3.924 -3.577 14 HB3 ARG 16 HB3 ARG 16 -4.550 -2.853 -2.232 15 HG2 ARG 16 HG2 ARG 16 -5.089 -1.465 -4.118 16 HG3 ARG 16 HG3 ARG 16 -3.339 -1.399 -3.925 17 HD2 ARG 16 HD2 ARG 16 -3.163 -3.179 -5.656 18 HD3 ARG 16 HD3 ARG 16 -4.886 -3.061 -5.900 19 HE ARG 16 HE ARG 16 -2.857 -1.079 -6.608 20 HH11 ARG 16 HH11 ARG 16 -6.311 -1.930 -6.577 21 HH12 ARG 16 HH12 ARG 16 -6.652 -1.119 -8.020 22 HH21 ARG 16 HH21 ARG 16 -3.401 0.087 -8.583 23 HH22 ARG 16 HH22 ARG 16 -5.043 0.131 -9.109 24 H HIS 17 H HIS 17 -4.674 -5.433 -1.885 25 HA HIS 17 HA HIS 17 -3.645 -5.227 0.761 26 HB2 HIS 17 HB2 HIS 17 -5.802 -6.981 -0.379 27 HB3 HIS 17 HB3 HIS 17 -5.328 -7.023 1.314 28 HD1 HIS 17 HD1 HIS 17 -6.656 -5.519 2.780 29 HD2 HIS 17 HD2 HIS 17 -6.637 -4.229 -1.164 30 HE1 HIS 17 HE1 HIS 17 -8.225 -3.537 2.674 31 H ALA 18 H ALA 18 -2.820 -7.312 -1.716 32 HA ALA 18 HA ALA 18 -1.909 -9.392 -0.075 33 HB1 ALA 18 HB1 ALA 18 -0.982 -8.608 -2.826 34 HB2 ALA 18 HB2 ALA 18 -2.203 -9.825 -2.362 35 HB3 ALA 18 HB3 ALA 18 -0.515 -10.073 -1.957 36 H ALA 19 H ALA 19 -0.641 -6.222 -0.530 37 HA ALA 19 HA ALA 19 2.048 -6.713 0.222 38 HB1 ALA 19 HB1 ALA 19 1.240 -4.531 -0.635 39 HB2 ALA 19 HB2 ALA 19 2.100 -4.370 0.896 40 HB3 ALA 19 HB3 ALA 19 0.338 -4.301 0.863 41 H ASP 20 H ASP 20 -0.881 -6.856 2.033 42 HA ASP 20 HA ASP 20 0.289 -6.680 4.636 43 HB2 ASP 20 HB2 ASP 20 -2.085 -6.162 4.234 44 HB3 ASP 20 HB3 ASP 20 -2.360 -7.788 3.647 45 H TYR 21 H TYR 21 0.117 -9.070 2.202 46 HA TYR 21 HA TYR 21 0.442 -11.443 3.789 47 HB2 TYR 21 HB2 TYR 21 0.327 -12.507 1.800 48 HB3 TYR 21 HB3 TYR 21 0.213 -10.938 1.030 49 HD1 TYR 21 HD1 TYR 21 2.380 -9.874 0.125 50 HD2 TYR 21 HD2 TYR 21 2.257 -13.900 1.504 51 HE1 TYR 21 HE1 TYR 21 4.408 -10.387 -1.156 52 HE2 TYR 21 HE2 TYR 21 4.241 -14.418 0.249 53 HH TYR 21 HH TYR 21 5.417 -13.463 -1.857 54 H GLN 22 H GLN 22 2.515 -8.895 2.909 55 HA GLN 22 HA GLN 22 4.998 -10.164 3.218 56 HB2 GLN 22 HB2 GLN 22 4.843 -7.997 2.176 57 HB3 GLN 22 HB3 GLN 22 4.113 -7.306 3.611 58 HG2 GLN 22 HG2 GLN 22 6.397 -6.613 3.340 59 HG3 GLN 22 HG3 GLN 22 6.172 -7.569 4.815 60 HE21 GLN 22 HE21 GLN 22 8.354 -8.050 4.935 61 HE22 GLN 22 HE22 GLN 22 9.119 -9.151 3.844 62 H GLN 23 H GLN 23 2.984 -8.309 5.463 63 HA GLN 23 HA GLN 23 4.580 -8.787 7.720 64 HB2 GLN 23 HB2 GLN 23 1.720 -7.940 7.397 65 HB3 GLN 23 HB3 GLN 23 2.328 -8.330 8.995 66 HG2 GLN 23 HG2 GLN 23 2.385 -5.924 8.540 67 HG3 GLN 23 HG3 GLN 23 3.987 -6.578 8.841 68 HE21 GLN 23 HE21 GLN 23 5.492 -6.634 7.146 69 HE22 GLN 23 HE22 GLN 23 5.250 -5.721 5.707 70 H LEU 24 H LEU 24 1.930 -10.573 6.352 71 HA LEU 24 HA LEU 24 1.654 -12.711 8.211 72 HB2 LEU 24 HB2 LEU 24 0.161 -12.484 6.303 73 HB3 LEU 24 HB3 LEU 24 1.508 -12.683 5.203 74 HG LEU 24 HG LEU 24 1.795 -14.998 6.058 75 HD11 LEU 24 HD11 LEU 24 -0.036 -16.040 7.255 76 HD12 LEU 24 HD12 LEU 24 -0.806 -14.463 7.446 77 HD13 LEU 24 HD13 LEU 24 0.754 -14.786 8.205 78 HD21 LEU 24 HD21 LEU 24 -0.934 -14.453 4.934 79 HD22 LEU 24 HD22 LEU 24 0.043 -15.943 4.855 80 HD23 LEU 24 HD23 LEU 24 0.577 -14.499 4.004 81 H ARG 25 H ARG 25 3.788 -12.449 5.437 82 HA ARG 25 HA ARG 25 5.032 -14.879 5.803 83 HB2 ARG 25 HB2 ARG 25 4.877 -13.482 3.741 84 HB3 ARG 25 HB3 ARG 25 6.072 -12.407 4.441 85 HG2 ARG 25 HG2 ARG 25 7.738 -13.980 4.312 86 HG3 ARG 25 HG3 ARG 25 6.581 -15.306 4.102 87 HD2 ARG 25 HD2 ARG 25 5.897 -14.240 1.934 88 HD3 ARG 25 HD3 ARG 25 7.253 -13.132 2.110 89 HE ARG 25 HE ARG 25 8.369 -15.620 2.386 90 HH11 ARG 25 HH11 ARG 25 6.642 -13.915 -0.219 91 HH12 ARG 25 HH12 ARG 25 7.126 -14.911 -1.436 92 HH21 ARG 25 HH21 ARG 25 9.189 -17.000 0.657 93 HH22 ARG 25 HH22 ARG 25 8.720 -16.661 -0.955 94 H GLU 26 H GLU 26 5.911 -11.619 6.857 95 HA GLU 26 HA GLU 26 8.393 -12.215 7.974 96 HB2 GLU 26 HB2 GLU 26 6.394 -10.095 8.773 97 HB3 GLU 26 HB3 GLU 26 8.090 -10.118 9.250 98 HG2 GLU 26 HG2 GLU 26 8.800 -9.861 6.987 99 HG3 GLU 26 HG3 GLU 26 7.157 -10.062 6.398 100 H ARG 27 H ARG 27 5.143 -12.286 9.494 101 HA ARG 27 HA ARG 27 6.277 -13.015 12.009 102 HB2 ARG 27 HB2 ARG 27 3.981 -11.939 11.666 103 HB3 ARG 27 HB3 ARG 27 3.436 -13.597 11.341 104 HG2 ARG 27 HG2 ARG 27 4.312 -14.364 13.409 105 HG3 ARG 27 HG3 ARG 27 4.995 -12.796 13.761 106 HD2 ARG 27 HD2 ARG 27 3.148 -12.768 15.043 107 HD3 ARG 27 HD3 ARG 27 2.543 -12.038 13.545 108 HE ARG 27 HE ARG 27 1.173 -13.827 13.237 109 HH11 ARG 27 HH11 ARG 27 3.556 -14.741 15.769 110 HH12 ARG 27 HH12 ARG 27 2.862 -16.315 15.915 111 HH21 ARG 27 HH21 ARG 27 0.294 -16.073 13.658 112 HH22 ARG 27 HH22 ARG 27 1.174 -17.021 14.789 113 H LEU 28 H LEU 28 5.151 -14.802 9.251 114 HA LEU 28 HA LEU 28 4.932 -17.330 10.525 115 HB2 LEU 28 HB2 LEU 28 5.469 -16.577 7.648 116 HB3 LEU 28 HB3 LEU 28 5.291 -18.234 8.172 117 HG LEU 28 HG LEU 28 3.109 -16.174 8.517 118 HD11 LEU 28 HD11 LEU 28 3.554 -18.168 6.312 119 HD12 LEU 28 HD12 LEU 28 3.575 -16.404 6.167 120 HD13 LEU 28 HD13 LEU 28 2.080 -17.240 6.572 121 HD21 LEU 28 HD21 LEU 28 2.918 -18.121 9.949 122 HD22 LEU 28 HD22 LEU 28 3.122 -19.172 8.536 123 HD23 LEU 28 HD23 LEU 28 1.711 -18.117 8.656 124 H ILE 29 H ILE 29 7.488 -15.704 8.791 125 HA ILE 29 HA ILE 29 9.527 -17.569 8.857 126 HB ILE 29 HB ILE 29 9.510 -14.558 9.064 127 HG12 ILE 29 HG12 ILE 29 10.328 -16.376 6.793 128 HG13 ILE 29 HG11 ILE 29 8.752 -15.612 6.956 129 HG21 ILE 29 HG21 ILE 29 11.503 -15.238 10.153 130 HG22 ILE 29 HG22 ILE 29 11.890 -14.532 8.569 131 HG23 ILE 29 HG23 ILE 29 11.941 -16.290 8.796 132 HD11 ILE 29 HD11 ILE 29 11.387 -14.193 6.630 133 HD12 ILE 29 HD12 ILE 29 9.813 -13.413 6.791 134 HD13 ILE 29 HD13 ILE 29 10.161 -14.419 5.384 135 H GLN 30 H GLN 30 8.750 -15.142 11.290 136 HA GLN 30 HA GLN 30 10.734 -16.049 13.092 137 HB2 GLN 30 HB2 GLN 30 8.407 -14.211 13.500 138 HB3 GLN 30 HB3 GLN 30 9.672 -14.498 14.695 139 HG2 GLN 30 HG2 GLN 30 10.009 -13.282 11.958 140 HG3 GLN 30 HG3 GLN 30 10.087 -12.459 13.517 141 HE21 GLN 30 HE21 GLN 30 11.896 -12.752 14.822 142 HE22 GLN 30 HE22 GLN 30 13.363 -13.424 14.182 143 H GLU 31 H GLU 31 7.306 -16.806 12.725 144 HA GLU 31 HA GLU 31 7.147 -18.004 15.336 145 HB2 GLU 31 HB2 GLU 31 5.144 -16.964 14.096 146 HB3 GLU 31 HB3 GLU 31 5.176 -18.394 13.101 147 HG2 GLU 31 HG2 GLU 31 4.830 -19.845 15.011 148 HG3 GLU 31 HG3 GLU 31 4.831 -18.455 16.088 149 H LEU 32 H LEU 32 7.578 -19.193 12.039 150 HA LEU 32 HA LEU 32 7.472 -21.950 12.851 151 HB2 LEU 32 HB2 LEU 32 8.105 -20.560 10.271 152 HB3 LEU 32 HB3 LEU 32 8.429 -22.260 10.469 153 HG LEU 32 HG LEU 32 6.008 -22.663 10.817 154 HD11 LEU 32 HD11 LEU 32 4.379 -20.932 10.205 155 HD12 LEU 32 HD12 LEU 32 5.680 -19.748 10.155 156 HD13 LEU 32 HD13 LEU 32 5.260 -20.530 11.682 157 HD21 LEU 32 HD21 LEU 32 5.367 -22.179 8.442 158 HD22 LEU 32 HD22 LEU 32 6.924 -22.983 8.680 159 HD23 LEU 32 HD23 LEU 32 6.882 -21.262 8.334 160 H ASN 33 H ASN 33 9.744 -19.576 13.197 161 HA ASN 33 HA ASN 33 11.964 -19.471 13.689 162 HB2 ASN 33 HB2 ASN 33 11.302 -21.461 15.207 163 HB3 ASN 33 HB3 ASN 33 11.905 -22.513 13.937 164 HD21 ASN 33 HD21 ASN 33 14.140 -22.582 13.580 165 HD22 ASN 33 HD22 ASN 33 15.285 -22.020 14.764 166 H LEU 34 H LEU 34 11.188 -19.430 11.138 167 HA LEU 34 HA LEU 34 13.220 -20.947 9.693 168 HB2 LEU 34 HB2 LEU 34 10.429 -20.176 8.896 169 HB3 LEU 34 HB3 LEU 34 11.636 -20.460 7.666 170 HG LEU 34 HG LEU 34 10.543 -22.401 9.697 171 HD11 LEU 34 HD11 LEU 34 9.773 -23.579 7.684 172 HD12 LEU 34 HD12 LEU 34 10.403 -22.246 6.698 173 HD13 LEU 34 HD13 LEU 34 9.092 -21.956 7.823 174 HD21 LEU 34 HD21 LEU 34 12.751 -22.796 7.675 175 HD22 LEU 34 HD22 LEU 34 11.953 -24.091 8.562 176 HD23 LEU 34 HD23 LEU 34 12.910 -22.895 9.431 177 H THR 35 H THR 35 13.413 -19.711 7.409 178 HA THR 35 HA THR 35 13.927 -16.913 8.041 179 HB THR 35 HB THR 35 15.981 -17.149 6.544 180 HG1 THR 35 HG1 THR 35 16.291 -19.770 6.963 181 HG21 THR 35 HG21 THR 35 16.224 -17.131 8.998 182 HG22 THR 35 HG22 THR 35 17.398 -18.217 8.250 183 HG23 THR 35 HG23 THR 35 15.955 -18.874 9.025 184 HA PRO 36 HA PRO 36 11.665 -15.888 4.390 185 HB2 PRO 36 HB2 PRO 36 13.478 -14.352 2.915 186 HB3 PRO 36 HB3 PRO 36 12.431 -13.742 4.212 187 HG2 PRO 36 HG2 PRO 36 15.286 -14.540 4.341 188 HG3 PRO 36 HG3 PRO 36 14.447 -13.201 5.149 189 HD2 PRO 36 HD2 PRO 36 15.082 -15.377 6.508 190 HD3 PRO 36 HD3 PRO 36 13.529 -14.568 6.775 191 H GLN 37 H GLN 37 14.784 -17.344 3.919 192 HA GLN 37 HA GLN 37 14.337 -17.938 1.109 193 HB2 GLN 37 HB2 GLN 37 16.599 -17.376 1.984 194 HB3 GLN 37 HB3 GLN 37 16.558 -18.843 2.950 195 HG2 GLN 37 HG2 GLN 37 16.365 -20.157 0.859 196 HG3 GLN 37 HG3 GLN 37 16.548 -18.663 -0.054 197 HE21 GLN 37 HE21 GLN 37 18.206 -21.023 -0.015 198 HE22 GLN 37 HE22 GLN 37 19.790 -20.477 0.446 199 H GLN 38 H GLN 38 13.861 -19.449 4.183 200 HA GLN 38 HA GLN 38 13.700 -22.120 3.038 201 HB2 GLN 38 HB2 GLN 38 13.113 -21.111 5.836 202 HB3 GLN 38 HB3 GLN 38 13.017 -22.796 5.345 203 HG2 GLN 38 HG2 GLN 38 15.506 -21.103 5.300 204 HG3 GLN 38 HG3 GLN 38 15.092 -22.281 6.540 205 HE21 GLN 38 HE21 GLN 38 17.390 -22.159 4.710 206 HE22 GLN 38 HE22 GLN 38 17.343 -23.670 3.862 207 H LEU 39 H LEU 39 11.736 -19.526 4.181 208 HA LEU 39 HA LEU 39 9.372 -20.999 3.544 209 HB2 LEU 39 HB2 LEU 39 9.927 -18.516 4.973 210 HB3 LEU 39 HB3 LEU 39 8.372 -18.583 4.146 211 HG LEU 39 HG LEU 39 9.439 -20.385 6.318 212 HD11 LEU 39 HD11 LEU 39 7.663 -19.407 7.652 213 HD12 LEU 39 HD12 LEU 39 7.158 -18.425 6.280 214 HD13 LEU 39 HD13 LEU 39 8.728 -18.147 7.029 215 HD21 LEU 39 HD21 LEU 39 6.835 -20.457 4.818 216 HD22 LEU 39 HD22 LEU 39 7.176 -21.375 6.283 217 HD23 LEU 39 HD23 LEU 39 8.084 -21.707 4.812 218 H HIS 40 H HIS 40 9.958 -21.293 1.482 219 HA HIS 40 HA HIS 40 9.709 -19.241 -0.513 220 HB2 HIS 40 HB2 HIS 40 10.553 -21.868 -0.434 221 HB3 HIS 40 HB3 HIS 40 8.935 -22.061 -1.080 222 HD1 HIS 40 HD1 HIS 40 8.542 -20.710 -3.537 223 HD2 HIS 40 HD2 HIS 40 12.460 -21.182 -2.187 224 HE1 HIS 40 HE1 HIS 40 9.910 -20.600 -5.507 225 H GLU 41 H GLU 41 7.532 -18.906 -1.698 226 HA GLU 41 HA GLU 41 5.575 -19.248 0.360 227 HB2 GLU 41 HB2 GLU 41 4.086 -17.747 -0.978 228 HB3 GLU 41 HB3 GLU 41 5.597 -17.030 -0.467 229 HG2 GLU 41 HG2 GLU 41 6.459 -17.367 -2.759 230 HG3 GLU 41 HG3 GLU 41 4.873 -17.975 -3.235 231 H GLU 42 H GLU 42 6.278 -20.688 -2.556 232 HA GLU 42 HA GLU 42 3.772 -22.025 -2.957 233 HB2 GLU 42 HB2 GLU 42 6.517 -22.687 -4.032 234 HB3 GLU 42 HB3 GLU 42 5.026 -23.218 -4.750 235 HG2 GLU 42 HG2 GLU 42 5.462 -21.499 -6.149 236 HG3 GLU 42 HG3 GLU 42 4.666 -20.557 -4.891 237 H SER 43 H SER 43 5.776 -22.341 -0.468 238 HA SER 43 HA SER 43 5.865 -25.244 -0.416 239 HB2 SER 43 HB2 SER 43 6.992 -23.169 1.459 240 HB3 SER 43 HB3 SER 43 7.287 -24.902 1.588 241 HG SER 43 HG SER 43 7.732 -23.811 -0.884 242 H ASN 44 H ASN 44 4.806 -26.457 1.095 243 HA ASN 44 HA ASN 44 2.343 -25.481 2.136 244 HB2 ASN 44 HB2 ASN 44 2.585 -27.847 1.421 245 HB3 ASN 44 HB3 ASN 44 3.802 -28.099 2.666 246 HD21 ASN 44 HD21 ASN 44 2.468 -29.813 3.355 247 HD22 ASN 44 HD22 ASN 44 1.099 -29.511 4.376 248 H LEU 45 H LEU 45 2.084 -24.370 3.920 249 HA LEU 45 HA LEU 45 4.311 -23.737 5.587 250 HB2 LEU 45 HB2 LEU 45 1.395 -23.160 6.042 251 HB3 LEU 45 HB3 LEU 45 2.718 -22.524 7.000 252 HG LEU 45 HG LEU 45 2.190 -21.976 4.109 253 HD11 LEU 45 HD11 LEU 45 0.645 -20.839 5.635 254 HD12 LEU 45 HD12 LEU 45 1.768 -19.674 4.928 255 HD13 LEU 45 HD13 LEU 45 2.014 -20.251 6.578 256 HD21 LEU 45 HD21 LEU 45 4.049 -20.325 4.336 257 HD22 LEU 45 HD22 LEU 45 4.571 -21.999 4.494 258 HD23 LEU 45 HD23 LEU 45 4.394 -21.003 5.932 259 H ILE 46 H ILE 46 1.556 -25.750 5.944 260 HA ILE 46 HA ILE 46 1.715 -26.531 8.611 261 HB ILE 46 HB ILE 46 0.978 -28.107 6.154 262 HG12 ILE 46 HG12 ILE 46 -0.699 -26.693 8.243 263 HG13 ILE 46 HG11 ILE 46 -0.433 -26.211 6.569 264 HG21 ILE 46 HG21 ILE 46 1.627 -29.721 7.762 265 HG22 ILE 46 HG22 ILE 46 -0.132 -29.755 7.625 266 HG23 ILE 46 HG23 ILE 46 0.634 -28.977 9.020 267 HD11 ILE 46 HD11 ILE 46 -2.640 -27.206 6.882 268 HD12 ILE 46 HD12 ILE 46 -1.891 -28.690 7.474 269 HD13 ILE 46 HD13 ILE 46 -1.646 -28.185 5.802 270 H GLN 47 H GLN 47 3.331 -27.719 5.824 271 HA GLN 47 HA GLN 47 4.669 -29.854 7.171 272 HB2 GLN 47 HB2 GLN 47 3.669 -29.950 4.911 273 HB3 GLN 47 HB3 GLN 47 4.882 -28.809 4.369 274 HG2 GLN 47 HG2 GLN 47 6.587 -30.335 4.707 275 HG3 GLN 47 HG3 GLN 47 5.455 -31.447 5.555 276 HE21 GLN 47 HE21 GLN 47 5.966 -33.113 4.055 277 HE22 GLN 47 HE22 GLN 47 5.338 -33.078 2.440 278 H ALA 48 H ALA 48 5.231 -26.566 6.739 279 HA ALA 48 HA ALA 48 8.132 -26.788 6.799 280 HB1 ALA 48 HB1 ALA 48 8.109 -24.350 6.496 281 HB2 ALA 48 HB2 ALA 48 6.352 -24.342 6.625 282 HB3 ALA 48 HB3 ALA 48 7.129 -25.145 5.265 283 H GLY 49 H GLY 49 5.648 -26.868 8.944 284 HA2 GLY 49 HA2 GLY 49 6.404 -27.179 11.293 285 HA3 GLY 49 HA3 GLY 49 7.326 -25.698 11.081 286 H LEU 50 H LEU 50 3.977 -26.499 10.212 287 HA LEU 50 HA LEU 50 3.011 -24.505 12.113 288 HB2 LEU 50 HB2 LEU 50 3.325 -23.257 10.069 289 HB3 LEU 50 HB3 LEU 50 2.535 -24.492 9.129 290 HG LEU 50 HG LEU 50 0.895 -23.151 11.221 291 HD11 LEU 50 HD11 LEU 50 1.680 -21.849 8.606 292 HD12 LEU 50 HD12 LEU 50 2.155 -21.300 10.214 293 HD13 LEU 50 HD13 LEU 50 0.459 -21.259 9.735 294 HD21 LEU 50 HD21 LEU 50 -0.806 -23.338 9.480 295 HD22 LEU 50 HD22 LEU 50 -0.024 -24.890 9.787 296 HD23 LEU 50 HD23 LEU 50 0.407 -23.956 8.353 297 H ASP 51 H ASP 51 1.644 -25.359 13.345 298 HA ASP 51 HA ASP 51 0.274 -27.774 12.755 299 HB2 ASP 51 HB2 ASP 51 -0.810 -27.271 14.992 300 HB3 ASP 51 HB3 ASP 51 0.947 -27.380 15.034 301 HA 4HH 52 HA 4HH 52 -3.138 -25.743 11.305 302 H 4HH 52 H 4HH 52 -2.293 -27.608 13.377 303 HB3 4HH 52 HB3 4HH 52 -3.843 -28.112 10.937 304 HB2 4HH 52 HB2 4HH 52 -5.210 -27.041 11.242 305 HJ3 4HH 52 HJ3 4HH 52 -7.412 -27.388 14.174 306 HJ2 4HH 52 HJ2 4HH 52 -8.149 -28.935 13.836 307 HL13 4HH 52 HL13 4HH 52 -10.822 -27.414 11.553 308 HL12 4HH 52 HL12 4HH 52 -9.206 -27.465 10.965 309 HL11 4HH 52 HL11 4HH 52 -9.826 -28.899 11.740 310 HL21 4HH 52 HL21 4HH 52 -8.507 -25.652 12.057 311 HL23 4HH 52 HL23 4HH 52 -9.978 -25.215 12.816 312 HL22 4HH 52 HL22 4HH 52 -8.459 -25.376 13.769 313 HL3 4HH 52 HL3 4HH 52 -10.245 -28.684 14.534 314 HM 4HH 52 HM 4HH 52 -10.569 -27.045 16.116 315 HN 4HH 52 HN 4HH 52 -12.662 -27.637 12.510 316 HO2 4HH 52 HO2 4HH 52 -11.770 -25.010 12.469 317 HO3 4HH 52 HO3 4HH 52 -13.089 -25.054 13.669 318 HP3 4HH 52 HP3 4HH 52 -13.295 -25.856 10.813 319 HP2 4HH 52 HP2 4HH 52 -14.587 -26.021 11.993 320 HS2 4HH 52 HS2 4HH 52 -14.210 -21.944 13.028 321 HS3 4HH 52 HS3 4HH 52 -12.606 -22.645 13.401 322 HT3 4HH 52 HT3 4HH 52 -13.208 -20.412 11.455 323 HT2 4HH 52 HT2 4HH 52 -11.609 -20.926 12.006 324 HR 4HH 52 HR 4HH 52 -12.808 -22.795 10.697 325 HU 4HH 52 HU 4HH 52 -12.090 -20.046 14.666 326 H ILE 53 H ILE 53 -2.883 -26.001 14.442 327 HA ILE 53 HA ILE 53 -5.167 -24.437 15.131 328 HB ILE 53 HB ILE 53 -2.601 -24.910 16.679 329 HG12 ILE 53 HG12 ILE 53 -3.821 -26.977 16.356 330 HG13 ILE 53 HG11 ILE 53 -3.990 -26.454 18.027 331 HG21 ILE 53 HG21 ILE 53 -5.219 -23.712 17.633 332 HG22 ILE 53 HG22 ILE 53 -3.695 -22.846 17.440 333 HG23 ILE 53 HG23 ILE 53 -3.843 -24.106 18.665 334 HD11 ILE 53 HD11 ILE 53 -6.094 -27.332 17.180 335 HD12 ILE 53 HD12 ILE 53 -6.084 -26.166 15.866 336 HD13 ILE 53 HD13 ILE 53 -6.249 -25.612 17.530 337 H ARG 54 H ARG 54 -1.760 -23.921 14.359 338 HA ARG 54 HA ARG 54 -1.604 -21.138 14.408 339 HB2 ARG 54 HB2 ARG 54 -0.258 -23.291 13.004 340 HB3 ARG 54 HB3 ARG 54 -0.147 -21.679 12.304 341 HG2 ARG 54 HG2 ARG 54 0.752 -20.828 14.326 342 HG3 ARG 54 HG3 ARG 54 0.560 -22.418 15.099 343 HD2 ARG 54 HD2 ARG 54 1.923 -23.413 13.536 344 HD3 ARG 54 HD3 ARG 54 1.957 -21.900 12.607 345 HE ARG 54 HE ARG 54 3.313 -20.934 14.215 346 HH11 ARG 54 HH11 ARG 54 2.763 -24.287 15.146 347 HH12 ARG 54 HH12 ARG 54 4.364 -24.667 15.565 348 HH21 ARG 54 HH21 ARG 54 5.683 -21.426 14.899 349 HH22 ARG 54 HH22 ARG 54 6.059 -22.970 15.438 350 H LEU 55 H LEU 55 -2.480 -23.356 11.848 351 HA LEU 55 HA LEU 55 -3.002 -21.655 9.709 352 HB2 LEU 55 HB2 LEU 55 -2.983 -24.225 9.917 353 HB3 LEU 55 HB3 LEU 55 -4.644 -24.087 10.430 354 HG LEU 55 HG LEU 55 -4.662 -24.772 8.199 355 HD11 LEU 55 HD11 LEU 55 -6.345 -23.158 8.580 356 HD12 LEU 55 HD12 LEU 55 -5.728 -23.042 6.929 357 HD13 LEU 55 HD13 LEU 55 -5.233 -21.856 8.146 358 HD21 LEU 55 HD21 LEU 55 -2.434 -24.321 7.568 359 HD22 LEU 55 HD22 LEU 55 -2.738 -22.577 7.590 360 HD23 LEU 55 HD23 LEU 55 -3.568 -23.632 6.400 361 H MET 56 H MET 56 -5.391 -22.919 12.056 362 HA MET 56 HA MET 56 -7.455 -21.214 11.169 363 HB2 MET 56 HB2 MET 56 -7.926 -23.224 12.437 364 HB3 MET 56 HB3 MET 56 -7.125 -22.528 13.839 365 HG2 MET 56 HG2 MET 56 -8.888 -20.586 13.449 366 HG3 MET 56 HG3 MET 56 -9.778 -21.877 12.649 367 HE1 MET 56 HE1 MET 56 -7.397 -22.620 15.677 368 HE2 MET 56 HE2 MET 56 -8.328 -21.833 16.972 369 HE3 MET 56 HE3 MET 56 -7.721 -20.898 15.571 370 H ARG 57 H ARG 57 -5.057 -20.822 13.717 371 HA ARG 57 HA ARG 57 -6.079 -18.565 14.850 372 HB2 ARG 57 HB2 ARG 57 -3.403 -19.668 14.611 373 HB3 ARG 57 HB3 ARG 57 -3.532 -18.016 15.230 374 HG2 ARG 57 HG2 ARG 57 -5.088 -18.807 16.941 375 HG3 ARG 57 HG3 ARG 57 -4.933 -20.449 16.311 376 HD2 ARG 57 HD2 ARG 57 -2.670 -18.804 17.110 377 HD3 ARG 57 HD3 ARG 57 -3.552 -19.781 18.312 378 HE ARG 57 HE ARG 57 -2.918 -21.511 16.273 379 HH11 ARG 57 HH11 ARG 57 -0.820 -19.440 18.233 380 HH12 ARG 57 HH12 ARG 57 0.462 -20.551 18.342 381 HH21 ARG 57 HH21 ARG 57 -1.064 -23.176 16.467 382 HH22 ARG 57 HH22 ARG 57 0.282 -22.715 17.303 383 H TRP 58 H TRP 58 -4.188 -19.045 11.925 384 HA TRP 58 HA TRP 58 -3.657 -16.356 11.325 385 HB2 TRP 58 HB2 TRP 58 -3.461 -18.907 9.827 386 HB3 TRP 58 HB3 TRP 58 -3.347 -17.426 8.899 387 HD1 TRP 58 HD1 TRP 58 -1.194 -19.794 10.446 388 HE1 TRP 58 HE1 TRP 58 1.098 -18.725 11.164 389 HE3 TRP 58 HE3 TRP 58 -2.460 -14.884 10.099 390 HZ2 TRP 58 HZ2 TRP 58 2.188 -16.024 11.477 391 HZ3 TRP 58 HZ3 TRP 58 -0.799 -13.156 10.588 392 HH2 TRP 58 HH2 TRP 58 1.451 -13.727 11.254 393 H LEU 59 H LEU 59 -6.377 -18.407 10.619 394 HA LEU 59 HA LEU 59 -7.613 -16.653 8.742 395 HB2 LEU 59 HB2 LEU 59 -8.341 -18.977 9.119 396 HB3 LEU 59 HB3 LEU 59 -8.983 -18.486 10.679 397 HG LEU 59 HG LEU 59 -10.472 -16.885 9.545 398 HD11 LEU 59 HD11 LEU 59 -10.817 -17.113 7.122 399 HD12 LEU 59 HD12 LEU 59 -9.403 -18.165 7.029 400 HD13 LEU 59 HD13 LEU 59 -9.225 -16.480 7.516 401 HD21 LEU 59 HD21 LEU 59 -10.606 -19.670 8.591 402 HD22 LEU 59 HD22 LEU 59 -11.975 -18.532 8.666 403 HD23 LEU 59 HD23 LEU 59 -11.178 -19.091 10.168 404 H HIS 60 H HIS 60 -7.433 -16.754 12.157 405 HA HIS 60 HA HIS 60 -9.382 -14.796 12.744 406 HB2 HIS 60 HB2 HIS 60 -7.009 -15.835 14.271 407 HB3 HIS 60 HB3 HIS 60 -8.073 -14.588 14.917 408 HD1 HIS 60 HD1 HIS 60 -7.872 -18.269 14.403 409 HD2 HIS 60 HD2 HIS 60 -10.644 -15.375 15.262 410 HE1 HIS 60 HE1 HIS 60 -9.806 -19.503 15.445 411 H TRP 61 H TRP 61 -6.204 -14.648 11.556 412 HA TRP 61 HA TRP 61 -5.912 -11.855 12.141 413 HB2 TRP 61 HB2 TRP 61 -3.955 -13.380 12.083 414 HB3 TRP 61 HB3 TRP 61 -4.285 -13.711 10.394 415 HD1 TRP 61 HD1 TRP 61 -3.263 -10.700 12.626 416 HE1 TRP 61 HE1 TRP 61 -1.697 -9.186 11.198 417 HE3 TRP 61 HE3 TRP 61 -3.509 -13.179 8.170 418 HZ2 TRP 61 HZ2 TRP 61 -0.722 -9.076 8.589 419 HZ3 TRP 61 HZ3 TRP 61 -2.226 -12.306 6.268 420 HH2 TRP 61 HH2 TRP 61 -0.867 -10.302 6.478 421 H PHE 62 H PHE 62 -6.352 -13.902 9.274 422 HA PHE 62 HA PHE 62 -6.648 -11.926 7.344 423 HB2 PHE 62 HB2 PHE 62 -7.939 -14.652 7.420 424 HB3 PHE 62 HB3 PHE 62 -7.950 -13.592 6.023 425 HD1 PHE 62 HD2 PHE 62 -5.410 -12.646 5.576 426 HD2 PHE 62 HD1 PHE 62 -6.464 -16.392 7.262 427 HE1 PHE 62 HE2 PHE 62 -3.249 -13.588 4.865 428 HE2 PHE 62 HE1 PHE 62 -4.317 -17.326 6.563 429 HZ PHE 62 HZ PHE 62 -2.705 -15.922 5.361 430 H ARG 63 H ARG 63 -9.325 -13.578 9.050 431 HA ARG 63 HA ARG 63 -11.365 -12.074 7.798 432 HB2 ARG 63 HB2 ARG 63 -11.352 -13.686 10.297 433 HB3 ARG 63 HB3 ARG 63 -12.771 -12.793 9.761 434 HG2 ARG 63 HG2 ARG 63 -12.408 -14.010 7.519 435 HG3 ARG 63 HG3 ARG 63 -11.408 -15.114 8.471 436 HD2 ARG 63 HD2 ARG 63 -13.245 -15.538 9.965 437 HD3 ARG 63 HD3 ARG 63 -14.153 -14.276 9.101 438 HE ARG 63 HE ARG 63 -13.384 -16.236 7.264 439 HH11 ARG 63 HH11 ARG 63 -15.613 -16.016 9.996 440 HH12 ARG 63 HH12 ARG 63 -16.817 -17.010 9.327 441 HH21 ARG 63 HH21 ARG 63 -15.049 -17.626 6.262 442 HH22 ARG 63 HH22 ARG 63 -16.468 -17.954 7.097 443 H LYS 64 H LYS 64 -9.388 -11.409 10.459 444 HA LYS 64 HA LYS 64 -11.001 -9.323 11.622 445 HB2 LYS 64 HB2 LYS 64 -9.463 -10.837 12.859 446 HB3 LYS 64 HB3 LYS 64 -8.150 -10.105 11.981 447 HG2 LYS 64 HG2 LYS 64 -8.627 -7.955 13.013 448 HG3 LYS 64 HG3 LYS 64 -9.936 -8.700 13.936 449 HD2 LYS 64 HD2 LYS 64 -7.885 -8.566 15.277 450 HD3 LYS 64 HD3 LYS 64 -8.373 -10.239 14.956 451 HE2 LYS 64 HE2 LYS 64 -5.893 -9.775 14.696 452 HE3 LYS 64 HE3 LYS 64 -6.686 -10.553 13.334 453 HZ1 LYS 64 HZ1 LYS 64 -6.761 -8.391 12.200 454 HZ2 LYS 64 HZ2 LYS 64 -5.216 -8.803 12.538 455 HZ3 LYS 64 HZ3 LYS 64 -5.997 -7.637 13.498 456 H ASN 65 H ASN 65 -8.302 -9.619 9.371 457 HA ASN 65 HA ASN 65 -7.727 -6.802 9.322 458 HB2 ASN 65 HB2 ASN 65 -6.697 -9.159 7.746 459 HB3 ASN 65 HB3 ASN 65 -6.313 -7.511 7.270 460 HD21 ASN 65 HD21 ASN 65 -4.078 -8.028 7.585 461 HD22 ASN 65 HD22 ASN 65 -3.400 -8.069 9.123 462 H GLY 66 H GLY 66 -10.108 -8.655 8.026 463 HA2 GLY 66 HA2 GLY 66 -11.894 -7.354 6.941 464 HA3 GLY 66 HA3 GLY 66 -10.634 -6.562 6.009 465 H TYR 67 H TYR 67 -9.755 -9.724 6.154 466 HA TYR 67 HA TYR 67 -10.639 -10.070 3.441 467 HB2 TYR 67 HB2 TYR 67 -8.903 -11.840 5.159 468 HB3 TYR 67 HB3 TYR 67 -9.192 -12.045 3.431 469 HD1 TYR 67 HD1 TYR 67 -7.528 -10.080 5.982 470 HD2 TYR 67 HD2 TYR 67 -8.174 -10.548 1.822 471 HE1 TYR 67 HE1 TYR 67 -5.697 -8.535 5.542 472 HE2 TYR 67 HE2 TYR 67 -6.350 -9.017 1.345 473 HH TYR 67 HH TYR 67 -4.228 -7.951 3.906 474 H ARG 68 H ARG 68 -12.426 -10.988 2.960 475 HA ARG 68 HA ARG 68 -13.643 -12.831 4.804 476 HB2 ARG 68 HB2 ARG 68 -14.550 -11.577 2.261 477 HB3 ARG 68 HB3 ARG 68 -15.313 -13.058 2.704 478 HG2 ARG 68 HG2 ARG 68 -16.697 -11.364 3.447 479 HG3 ARG 68 HG3 ARG 68 -15.921 -12.014 4.882 480 HD2 ARG 68 HD2 ARG 68 -14.584 -9.932 3.498 481 HD3 ARG 68 HD3 ARG 68 -16.076 -9.385 4.299 482 HE ARG 68 HE ARG 68 -13.984 -10.841 5.817 483 HH11 ARG 68 HH11 ARG 68 -15.669 -7.780 5.245 484 HH12 ARG 68 HH12 ARG 68 -15.178 -7.036 6.691 485 HH21 ARG 68 HH21 ARG 68 -13.270 -9.784 7.913 486 HH22 ARG 68 HH22 ARG 68 -13.790 -8.224 8.227 487 H LEU 69 H LEU 69 -12.265 -14.359 4.934 488 HA LEU 69 HA LEU 69 -11.984 -16.274 2.717 489 HB2 LEU 69 HB2 LEU 69 -9.959 -15.425 4.809 490 HB3 LEU 69 HB3 LEU 69 -9.778 -16.855 3.819 491 HG LEU 69 HG LEU 69 -9.962 -14.077 2.643 492 HD11 LEU 69 HD11 LEU 69 -7.485 -15.693 3.296 493 HD12 LEU 69 HD12 LEU 69 -8.006 -14.234 4.135 494 HD13 LEU 69 HD13 LEU 69 -7.530 -14.142 2.447 495 HD21 LEU 69 HD21 LEU 69 -10.493 -15.943 1.164 496 HD22 LEU 69 HD22 LEU 69 -8.951 -16.701 1.573 497 HD23 LEU 69 HD23 LEU 69 -8.982 -15.154 0.719 498 H THR 70 H THR 70 -12.188 -18.474 3.477 499 HA THR 70 HA THR 70 -12.981 -18.636 6.250 500 HB THR 70 HB THR 70 -13.902 -20.282 3.860 501 HG1 THR 70 HG1 THR 70 -14.974 -18.575 3.619 502 HG21 THR 70 HG21 THR 70 -14.017 -21.575 5.968 503 HG22 THR 70 HG22 THR 70 -15.630 -21.175 5.380 504 HG23 THR 70 HG23 THR 70 -14.931 -20.265 6.722 505 H LEU 71 H LEU 71 -12.605 -20.917 7.062 506 HA LEU 71 HA LEU 71 -9.811 -21.290 7.069 507 HB2 LEU 71 HB2 LEU 71 -11.398 -21.551 8.999 508 HB3 LEU 71 HB3 LEU 71 -11.888 -23.071 8.290 509 HG LEU 71 HG LEU 71 -9.561 -23.874 8.487 510 HD11 LEU 71 HD11 LEU 71 -8.384 -21.747 8.509 511 HD12 LEU 71 HD12 LEU 71 -8.052 -22.680 9.976 512 HD13 LEU 71 HD13 LEU 71 -9.172 -21.333 10.039 513 HD21 LEU 71 HD21 LEU 71 -10.895 -22.956 11.015 514 HD22 LEU 71 HD22 LEU 71 -9.610 -24.145 10.928 515 HD23 LEU 71 HD23 LEU 71 -11.171 -24.480 10.168 516 H ARG 72 H ARG 72 -12.300 -22.771 5.154 517 HA ARG 72 HA ARG 72 -11.052 -25.337 5.067 518 HB2 ARG 72 HB2 ARG 72 -13.333 -24.155 3.532 519 HB3 ARG 72 HB3 ARG 72 -12.664 -25.672 3.004 520 HG2 ARG 72 HG2 ARG 72 -14.529 -26.217 4.272 521 HG3 ARG 72 HG3 ARG 72 -13.157 -26.523 5.335 522 HD2 ARG 72 HD2 ARG 72 -13.461 -24.342 6.307 523 HD3 ARG 72 HD3 ARG 72 -14.862 -24.104 5.255 524 HE ARG 72 HE ARG 72 -15.374 -26.445 6.539 525 HH11 ARG 72 HH11 ARG 72 -14.920 -23.100 7.590 526 HH12 ARG 72 HH12 ARG 72 -15.691 -23.345 9.111 527 HH21 ARG 72 HH21 ARG 72 -16.525 -26.707 8.646 528 HH22 ARG 72 HH22 ARG 72 -16.613 -25.358 9.680 529 H GLU 73 H GLU 73 -11.294 -22.559 2.955 530 HA GLU 73 HA GLU 73 -9.903 -23.526 0.762 531 HB2 GLU 73 HB2 GLU 73 -9.831 -20.678 1.754 532 HB3 GLU 73 HB3 GLU 73 -9.609 -21.232 0.108 533 HG2 GLU 73 HG2 GLU 73 -11.768 -20.429 0.020 534 HG3 GLU 73 HG3 GLU 73 -12.069 -22.121 0.411 535 H LEU 74 H LEU 74 -8.804 -22.025 3.719 536 HA LEU 74 HA LEU 74 -6.126 -21.748 2.914 537 HB2 LEU 74 HB2 LEU 74 -7.083 -22.059 5.744 538 HB3 LEU 74 HB3 LEU 74 -5.527 -21.440 5.247 539 HG LEU 74 HG LEU 74 -8.202 -20.165 5.186 540 HD11 LEU 74 HD11 LEU 74 -7.028 -18.383 6.337 541 HD12 LEU 74 HD12 LEU 74 -5.527 -19.272 6.102 542 HD13 LEU 74 HD13 LEU 74 -6.786 -19.943 7.159 543 HD21 LEU 74 HD21 LEU 74 -5.795 -19.187 3.674 544 HD22 LEU 74 HD22 LEU 74 -7.299 -18.288 3.961 545 HD23 LEU 74 HD23 LEU 74 -7.322 -19.751 2.969 546 H TYR 75 H TYR 75 -7.900 -24.349 4.504 547 HA TYR 75 HA TYR 75 -5.558 -25.930 4.980 548 HB2 TYR 75 HB2 TYR 75 -8.495 -26.489 5.341 549 HB3 TYR 75 HB3 TYR 75 -7.345 -27.848 5.317 550 HD1 TYR 75 HD2 TYR 75 -5.259 -27.128 6.784 551 HD2 TYR 75 HD1 TYR 75 -9.266 -25.931 7.134 552 HE1 TYR 75 HE2 TYR 75 -4.915 -26.742 9.191 553 HE2 TYR 75 HE1 TYR 75 -9.004 -25.540 9.477 554 HH TYR 75 HH TYR 75 -7.259 -26.504 11.307 555 H ALA 76 H ALA 76 -7.757 -25.556 2.373 556 HA ALA 76 HA ALA 76 -7.068 -27.979 1.138 557 HB1 ALA 76 HB1 ALA 76 -8.238 -27.112 -0.848 558 HB2 ALA 76 HB2 ALA 76 -8.290 -25.513 -0.107 559 HB3 ALA 76 HB3 ALA 76 -9.177 -26.851 0.623 560 H ALA 77 H ALA 77 -5.835 -24.722 1.022 561 HA ALA 77 HA ALA 77 -3.497 -25.728 -0.384 562 HB1 ALA 77 HB1 ALA 77 -4.903 -23.165 -1.157 563 HB2 ALA 77 HB2 ALA 77 -4.891 -24.651 -2.105 564 HB3 ALA 77 HB3 ALA 77 -3.390 -23.763 -1.838 565 HA PRO 78 HA PRO 78 -2.377 -23.070 3.149 566 HB2 PRO 78 HB2 PRO 78 -0.793 -25.067 4.359 567 HB3 PRO 78 HB3 PRO 78 -2.437 -24.608 4.842 568 HG2 PRO 78 HG2 PRO 78 -1.686 -27.068 3.753 569 HG3 PRO 78 HG3 PRO 78 -3.338 -26.457 3.948 570 HD2 PRO 78 HD2 PRO 78 -1.638 -26.522 1.516 571 HD3 PRO 78 HD3 PRO 78 -3.405 -26.626 1.675 572 H THR 79 H THR 79 -1.178 -21.982 1.560 573 HA THR 79 HA THR 79 1.679 -22.458 1.720 574 HB THR 79 HB THR 79 1.910 -21.984 -0.734 575 HG1 THR 79 HG1 THR 79 -0.865 -22.530 -0.820 576 HG21 THR 79 HG21 THR 79 1.291 -24.185 -1.577 577 HG22 THR 79 HG22 THR 79 0.243 -24.415 -0.159 578 HG23 THR 79 HG23 THR 79 1.998 -24.321 0.044 579 H LEU 80 H LEU 80 2.776 -20.507 1.370 580 HA LEU 80 HA LEU 80 1.281 -18.212 2.140 581 HB2 LEU 80 HB2 LEU 80 3.984 -19.010 2.102 582 HB3 LEU 80 HB3 LEU 80 3.877 -17.557 1.127 583 HG LEU 80 HG LEU 80 2.830 -17.757 3.946 584 HD11 LEU 80 HD11 LEU 80 4.739 -16.421 4.544 585 HD12 LEU 80 HD12 LEU 80 5.414 -16.617 2.920 586 HD13 LEU 80 HD13 LEU 80 5.226 -18.023 3.991 587 HD21 LEU 80 HD21 LEU 80 2.775 -15.344 3.821 588 HD22 LEU 80 HD22 LEU 80 1.775 -16.052 2.545 589 HD23 LEU 80 HD23 LEU 80 3.380 -15.414 2.169 590 H ALA 81 H ALA 81 2.369 -19.529 -0.873 591 HA ALA 81 HA ALA 81 2.060 -17.246 -2.503 592 HB1 ALA 81 HB1 ALA 81 2.089 -18.784 -4.376 593 HB2 ALA 81 HB2 ALA 81 1.754 -20.136 -3.300 594 HB3 ALA 81 HB3 ALA 81 3.292 -19.289 -3.186 595 H ALA 82 H ALA 82 -0.142 -20.008 -1.881 596 HA ALA 82 HA ALA 82 -2.198 -18.896 -3.468 597 HB1 ALA 82 HB1 ALA 82 -2.137 -21.299 -2.953 598 HB2 ALA 82 HB2 ALA 82 -3.674 -20.534 -2.537 599 HB3 ALA 82 HB3 ALA 82 -2.516 -20.927 -1.263 600 H TRP 83 H TRP 83 -1.446 -18.745 -0.034 601 HA TRP 83 HA TRP 83 -3.767 -17.360 0.698 602 HB2 TRP 83 HB2 TRP 83 -1.022 -17.437 1.924 603 HB3 TRP 83 HB3 TRP 83 -2.350 -16.528 2.634 604 HD1 TRP 83 HD1 TRP 83 -3.629 -19.744 1.204 605 HE1 TRP 83 HE1 TRP 83 -3.978 -21.451 3.033 606 HE3 TRP 83 HE3 TRP 83 -1.218 -17.320 4.856 607 HZ2 TRP 83 HZ2 TRP 83 -3.405 -21.683 5.776 608 HZ3 TRP 83 HZ3 TRP 83 -1.136 -18.324 7.155 609 HH2 TRP 83 HH2 TRP 83 -2.205 -20.475 7.589 610 H ASN 84 H ASN 84 -0.584 -16.168 -0.187 611 HA ASN 84 HA ASN 84 -1.001 -13.449 -0.316 612 HB2 ASN 84 HB2 ASN 84 1.180 -14.361 -0.780 613 HB3 ASN 84 HB3 ASN 84 0.580 -15.281 -2.140 614 HD21 ASN 84 HD21 ASN 84 2.443 -14.374 -3.235 615 HD22 ASN 84 HD22 ASN 84 2.333 -12.791 -3.897 616 H GLN 85 H GLN 85 -1.877 -15.796 -2.832 617 HA GLN 85 HA GLN 85 -3.118 -13.943 -4.581 618 HB2 GLN 85 HB2 GLN 85 -3.715 -16.901 -4.264 619 HB3 GLN 85 HB3 GLN 85 -4.196 -15.906 -5.629 620 HG2 GLN 85 HG2 GLN 85 -1.434 -16.804 -4.845 621 HG3 GLN 85 HG3 GLN 85 -2.335 -17.208 -6.303 622 HE21 GLN 85 HE21 GLN 85 -0.308 -14.931 -4.738 623 HE22 GLN 85 HE22 GLN 85 -0.089 -13.879 -6.090 624 H LEU 86 H LEU 86 -4.331 -15.930 -1.953 625 HA LEU 86 HA LEU 86 -7.066 -15.366 -2.168 626 HB2 LEU 86 HB2 LEU 86 -5.438 -16.239 0.195 627 HB3 LEU 86 HB3 LEU 86 -7.181 -16.134 0.203 628 HG LEU 86 HG LEU 86 -5.576 -17.953 -1.605 629 HD11 LEU 86 HD11 LEU 86 -7.210 -18.555 0.825 630 HD12 LEU 86 HD12 LEU 86 -5.445 -18.576 0.742 631 HD13 LEU 86 HD13 LEU 86 -6.389 -19.742 -0.198 632 HD21 LEU 86 HD21 LEU 86 -7.722 -17.330 -2.600 633 HD22 LEU 86 HD22 LEU 86 -8.534 -17.773 -1.088 634 HD23 LEU 86 HD23 LEU 86 -7.728 -19.010 -2.044 635 H MET 87 H MET 87 -4.551 -13.354 -1.123 636 HA MET 87 HA MET 87 -6.010 -11.828 0.890 637 HB2 MET 87 HB2 MET 87 -3.446 -11.192 -0.611 638 HB3 MET 87 HB3 MET 87 -4.055 -10.320 0.780 639 HG2 MET 87 HG2 MET 87 -3.294 -13.216 0.864 640 HG3 MET 87 HG3 MET 87 -2.150 -11.915 1.162 641 HE1 MET 87 HE1 MET 87 -3.268 -10.376 4.443 642 HE2 MET 87 HE2 MET 87 -3.486 -9.792 2.791 643 HE3 MET 87 HE3 MET 87 -1.975 -10.563 3.256 644 H LEU 88 H LEU 88 -4.670 -11.470 -2.285 645 HA LEU 88 HA LEU 88 -5.585 -8.902 -2.761 646 HB2 LEU 88 HB2 LEU 88 -3.571 -9.468 -3.593 647 HB3 LEU 88 HB3 LEU 88 -4.086 -11.065 -4.123 648 HG LEU 88 HG LEU 88 -5.436 -10.056 -5.641 649 HD11 LEU 88 HD11 LEU 88 -3.864 -7.505 -4.852 650 HD12 LEU 88 HD12 LEU 88 -5.595 -7.715 -4.757 651 HD13 LEU 88 HD13 LEU 88 -4.821 -7.564 -6.327 652 HD21 LEU 88 HD21 LEU 88 -3.615 -9.493 -7.299 653 HD22 LEU 88 HD22 LEU 88 -3.332 -10.963 -6.339 654 HD23 LEU 88 HD23 LEU 88 -2.508 -9.455 -5.933 655 H SER 89 H SER 89 -6.894 -12.094 -3.334 656 HA SER 89 HA SER 89 -8.258 -11.336 -5.621 657 HB2 SER 89 HB2 SER 89 -9.563 -13.569 -5.149 658 HB3 SER 89 HB3 SER 89 -7.855 -13.591 -5.601 659 HG SER 89 HG SER 89 -7.295 -14.106 -3.678 660 H ARG 90 H ARG 90 -8.915 -10.284 -2.638 661 HA ARG 90 HA ARG 90 -11.660 -9.673 -3.411 662 HB2 ARG 90 HB2 ARG 90 -12.280 -9.465 -0.935 663 HB3 ARG 90 HB3 ARG 90 -12.111 -11.092 -1.558 664 HG2 ARG 90 HG2 ARG 90 -9.796 -9.803 -0.189 665 HG3 ARG 90 HG3 ARG 90 -11.134 -10.446 0.769 666 HD2 ARG 90 HD2 ARG 90 -9.612 -12.004 -1.311 667 HD3 ARG 90 HD3 ARG 90 -9.285 -12.073 0.420 668 HE ARG 90 HE ARG 90 -11.732 -12.789 0.564 669 HH11 ARG 90 HH11 ARG 90 -9.617 -13.742 -2.146 670 HH12 ARG 90 HH12 ARG 90 -10.434 -15.174 -2.446 671 HH21 ARG 90 HH21 ARG 90 -12.790 -14.784 0.203 672 HH22 ARG 90 HH22 ARG 90 -12.317 -15.820 -1.065 673 H SER 91 H SER 91 -8.931 -8.445 -3.581 674 HA SER 91 HA SER 91 -9.390 -5.929 -2.198 675 HB2 SER 91 HB2 SER 91 -7.095 -6.834 -3.915 676 HB3 SER 91 HB3 SER 91 -7.112 -5.458 -2.814 677 HG SER 91 HG SER 91 -7.842 -7.704 -1.555 678 HA PRO 92 HA PRO 92 -10.548 -4.256 -6.242 679 HB2 PRO 92 HB2 PRO 92 -9.803 -1.575 -5.497 680 HB3 PRO 92 HB3 PRO 92 -11.435 -2.266 -5.524 681 HG2 PRO 92 HG2 PRO 92 -10.148 -1.496 -3.241 682 HG3 PRO 92 HG3 PRO 92 -11.452 -2.696 -3.311 683 HD2 PRO 92 HD2 PRO 92 -8.512 -3.133 -3.109 684 HD3 PRO 92 HD3 PRO 92 -9.855 -4.016 -2.348 685 H GLU 93 H GLU 93 -9.286 -4.434 -8.007 686 HA GLU 93 HA GLU 93 -6.590 -3.348 -7.955 687 HB2 GLU 93 HB2 GLU 93 -7.848 -5.555 -9.597 688 HB3 GLU 93 HB3 GLU 93 -6.298 -4.841 -10.007 689 HG2 GLU 93 HG2 GLU 93 -6.892 -6.196 -7.378 690 HG3 GLU 93 HG3 GLU 93 -6.156 -6.999 -8.764 Start of MODEL 5 1 H ASP 14 HT1 ASP 14 2.241 -3.112 -1.378 2 HA ASP 14 HA ASP 14 0.417 -0.886 -1.914 3 HB2 ASP 14 HB2 ASP 14 2.643 -2.051 -3.597 4 HB3 ASP 14 HB3 ASP 14 1.486 -0.828 -4.138 5 H ASN 15 H ASN 15 -0.123 -1.733 -4.475 6 HA ASN 15 HA ASN 15 -1.347 -3.089 -5.736 7 HB2 ASN 15 HB2 ASN 15 -0.564 -5.309 -3.808 8 HB3 ASN 15 HB3 ASN 15 -1.516 -5.571 -5.258 9 HD21 ASN 15 HD21 ASN 15 0.036 -6.977 -6.114 10 HD22 ASN 15 HD22 ASN 15 1.544 -6.392 -6.719 11 H ARG 16 H ARG 16 -2.072 -4.404 -2.508 12 HA ARG 16 HA ARG 16 -4.502 -3.157 -2.092 13 HB2 ARG 16 HB2 ARG 16 -4.978 -4.692 -4.242 14 HB3 ARG 16 HB3 ARG 16 -4.881 -6.019 -3.109 15 HG2 ARG 16 HG2 ARG 16 -6.842 -5.096 -1.900 16 HG3 ARG 16 HG3 ARG 16 -6.917 -3.786 -3.078 17 HD2 ARG 16 HD2 ARG 16 -7.328 -5.395 -4.878 18 HD3 ARG 16 HD3 ARG 16 -7.166 -6.733 -3.747 19 HE ARG 16 HE ARG 16 -9.255 -4.714 -3.341 20 HH11 ARG 16 HH11 ARG 16 -8.477 -8.137 -4.110 21 HH12 ARG 16 HH12 ARG 16 -10.026 -8.703 -3.757 22 HH21 ARG 16 HH21 ARG 16 -11.463 -5.622 -2.823 23 HH22 ARG 16 HH22 ARG 16 -11.679 -7.298 -2.973 24 H HIS 17 H HIS 17 -5.729 -5.395 -0.632 25 HA HIS 17 HA HIS 17 -3.966 -5.344 1.520 26 HB2 HIS 17 HB2 HIS 17 -6.623 -6.534 1.202 27 HB3 HIS 17 HB3 HIS 17 -5.593 -7.252 2.438 28 HD1 HIS 17 HD1 HIS 17 -4.996 -5.793 4.506 29 HD2 HIS 17 HD2 HIS 17 -7.392 -3.890 1.677 30 HE1 HIS 17 HE1 HIS 17 -5.900 -3.725 5.618 31 H ALA 18 H ALA 18 -3.811 -7.451 -0.970 32 HA ALA 18 HA ALA 18 -2.145 -9.421 0.138 33 HB1 ALA 18 HB1 ALA 18 -2.790 -9.328 -2.202 34 HB2 ALA 18 HB2 ALA 18 -1.037 -9.510 -2.009 35 HB3 ALA 18 HB3 ALA 18 -1.727 -7.940 -2.459 36 H ALA 19 H ALA 19 -1.645 -6.042 0.055 37 HA ALA 19 HA ALA 19 1.122 -5.838 0.571 38 HB1 ALA 19 HB1 ALA 19 -1.064 -4.207 1.866 39 HB2 ALA 19 HB2 ALA 19 -0.638 -3.983 0.208 40 HB3 ALA 19 HB3 ALA 19 0.588 -3.694 1.482 41 H ASP 20 H ASP 20 -1.466 -7.097 2.551 42 HA ASP 20 HA ASP 20 -0.013 -7.088 4.968 43 HB2 ASP 20 HB2 ASP 20 -2.466 -8.567 4.063 44 HB3 ASP 20 HB3 ASP 20 -1.682 -9.038 5.558 45 H TYR 21 H TYR 21 0.245 -8.950 2.153 46 HA TYR 21 HA TYR 21 1.333 -11.405 3.013 47 HB2 TYR 21 HB2 TYR 21 0.986 -11.024 0.638 48 HB3 TYR 21 HB3 TYR 21 2.075 -9.658 0.646 49 HD1 TYR 21 HD1 TYR 21 4.629 -10.139 0.882 50 HD2 TYR 21 HD2 TYR 21 1.751 -13.197 0.161 51 HE1 TYR 21 HE1 TYR 21 6.368 -11.554 0.047 52 HE2 TYR 21 HE2 TYR 21 3.563 -14.659 -0.671 53 HH TYR 21 HH TYR 21 5.827 -14.357 -1.661 54 H GLN 22 H GLN 22 2.678 -8.269 2.708 55 HA GLN 22 HA GLN 22 5.399 -8.702 3.239 56 HB2 GLN 22 HB2 GLN 22 4.533 -6.536 2.506 57 HB3 GLN 22 HB3 GLN 22 3.611 -6.361 3.975 58 HG2 GLN 22 HG2 GLN 22 5.521 -4.944 4.120 59 HG3 GLN 22 HG3 GLN 22 5.730 -6.285 5.246 60 HE21 GLN 22 HE21 GLN 22 7.903 -6.037 5.305 61 HE22 GLN 22 HE22 GLN 22 8.957 -6.509 4.038 62 H GLN 23 H GLN 23 2.828 -7.866 5.498 63 HA GLN 23 HA GLN 23 4.378 -8.249 7.868 64 HB2 GLN 23 HB2 GLN 23 1.353 -8.343 7.571 65 HB3 GLN 23 HB3 GLN 23 2.189 -8.330 9.104 66 HG2 GLN 23 HG2 GLN 23 1.306 -6.157 8.723 67 HG3 GLN 23 HG3 GLN 23 3.048 -6.052 8.523 68 HE21 GLN 23 HE21 GLN 23 -0.083 -5.968 6.849 69 HE22 GLN 23 HE22 GLN 23 0.570 -5.267 5.432 70 H LEU 24 H LEU 24 2.115 -10.298 6.147 71 HA LEU 24 HA LEU 24 1.917 -12.528 7.833 72 HB2 LEU 24 HB2 LEU 24 0.496 -12.183 5.881 73 HB3 LEU 24 HB3 LEU 24 1.882 -12.383 4.831 74 HG LEU 24 HG LEU 24 2.092 -14.725 5.621 75 HD11 LEU 24 HD11 LEU 24 1.000 -14.537 7.763 76 HD12 LEU 24 HD12 LEU 24 0.226 -15.765 6.764 77 HD13 LEU 24 HD13 LEU 24 -0.539 -14.187 6.970 78 HD21 LEU 24 HD21 LEU 24 0.236 -15.586 4.359 79 HD22 LEU 24 HD22 LEU 24 0.953 -14.193 3.544 80 HD23 LEU 24 HD23 LEU 24 -0.572 -14.017 4.418 81 H ARG 25 H ARG 25 4.135 -12.055 5.131 82 HA ARG 25 HA ARG 25 5.445 -14.472 5.282 83 HB2 ARG 25 HB2 ARG 25 5.421 -12.769 3.464 84 HB3 ARG 25 HB3 ARG 25 6.510 -11.798 4.435 85 HG2 ARG 25 HG2 ARG 25 8.124 -13.667 4.363 86 HG3 ARG 25 HG3 ARG 25 6.984 -14.471 3.252 87 HD2 ARG 25 HD2 ARG 25 8.744 -13.234 1.981 88 HD3 ARG 25 HD3 ARG 25 7.103 -12.612 1.717 89 HE ARG 25 HE ARG 25 8.565 -11.307 3.823 90 HH11 ARG 25 HH11 ARG 25 8.039 -11.294 0.352 91 HH12 ARG 25 HH12 ARG 25 8.025 -9.582 0.203 92 HH21 ARG 25 HH21 ARG 25 8.548 -9.069 3.679 93 HH22 ARG 25 HH22 ARG 25 8.278 -8.227 2.229 94 H GLU 26 H GLU 26 6.400 -11.296 6.577 95 HA GLU 26 HA GLU 26 8.697 -12.163 7.829 96 HB2 GLU 26 HB2 GLU 26 7.068 -9.718 7.955 97 HB3 GLU 26 HB3 GLU 26 8.175 -10.011 9.289 98 HG2 GLU 26 HG2 GLU 26 9.300 -8.709 7.640 99 HG3 GLU 26 HG3 GLU 26 10.027 -10.294 7.715 100 H ARG 27 H ARG 27 5.418 -12.024 9.153 101 HA ARG 27 HA ARG 27 6.453 -12.821 11.714 102 HB2 ARG 27 HB2 ARG 27 4.436 -11.428 11.487 103 HB3 ARG 27 HB3 ARG 27 3.604 -12.862 10.871 104 HG2 ARG 27 HG2 ARG 27 4.200 -14.083 12.868 105 HG3 ARG 27 HG3 ARG 27 5.047 -12.677 13.493 106 HD2 ARG 27 HD2 ARG 27 3.030 -11.466 13.549 107 HD3 ARG 27 HD3 ARG 27 2.161 -12.855 12.850 108 HE ARG 27 HE ARG 27 2.904 -12.476 15.596 109 HH11 ARG 27 HH11 ARG 27 2.256 -15.037 13.185 110 HH12 ARG 27 HH12 ARG 27 2.146 -16.265 14.384 111 HH21 ARG 27 HH21 ARG 27 2.676 -14.330 17.193 112 HH22 ARG 27 HH22 ARG 27 2.374 -15.878 16.524 113 H LEU 28 H LEU 28 5.322 -14.477 8.872 114 HA LEU 28 HA LEU 28 4.788 -16.984 10.092 115 HB2 LEU 28 HB2 LEU 28 5.613 -16.230 7.296 116 HB3 LEU 28 HB3 LEU 28 5.452 -17.904 7.770 117 HG LEU 28 HG LEU 28 3.177 -15.914 7.915 118 HD11 LEU 28 HD11 LEU 28 2.373 -16.999 5.892 119 HD12 LEU 28 HD12 LEU 28 3.849 -17.965 5.818 120 HD13 LEU 28 HD13 LEU 28 3.925 -16.213 5.617 121 HD21 LEU 28 HD21 LEU 28 1.822 -17.908 8.004 122 HD22 LEU 28 HD22 LEU 28 2.939 -17.850 9.370 123 HD23 LEU 28 HD23 LEU 28 3.265 -18.919 7.998 124 H ILE 29 H ILE 29 7.622 -15.490 8.765 125 HA ILE 29 HA ILE 29 9.526 -17.449 8.990 126 HB ILE 29 HB ILE 29 9.635 -14.470 9.482 127 HG12 ILE 29 HG12 ILE 29 10.562 -16.154 7.150 128 HG13 ILE 29 HG11 ILE 29 9.070 -15.225 7.213 129 HG21 ILE 29 HG21 ILE 29 12.062 -14.576 9.282 130 HG22 ILE 29 HG22 ILE 29 11.972 -16.346 9.326 131 HG23 ILE 29 HG23 ILE 29 11.433 -15.388 10.723 132 HD11 ILE 29 HD11 ILE 29 10.387 -13.162 7.383 133 HD12 ILE 29 HD12 ILE 29 10.776 -14.078 5.927 134 HD13 ILE 29 HD13 ILE 29 11.861 -14.122 7.317 135 H GLN 30 H GLN 30 8.532 -15.180 11.502 136 HA GLN 30 HA GLN 30 10.145 -16.407 13.494 137 HB2 GLN 30 HB2 GLN 30 7.962 -14.374 13.680 138 HB3 GLN 30 HB3 GLN 30 8.953 -14.879 15.055 139 HG2 GLN 30 HG2 GLN 30 9.864 -13.493 12.538 140 HG3 GLN 30 HG3 GLN 30 9.775 -12.821 14.167 141 HE21 GLN 30 HE21 GLN 30 11.317 -13.446 15.698 142 HE22 GLN 30 HE22 GLN 30 12.790 -14.223 15.207 143 H GLU 31 H GLU 31 6.751 -16.658 12.626 144 HA GLU 31 HA GLU 31 5.788 -17.999 14.923 145 HB2 GLU 31 HB2 GLU 31 4.304 -16.896 13.326 146 HB3 GLU 31 HB3 GLU 31 4.785 -18.015 12.069 147 HG2 GLU 31 HG2 GLU 31 2.591 -18.591 12.839 148 HG3 GLU 31 HG3 GLU 31 3.717 -19.846 13.337 149 H LEU 32 H LEU 32 7.105 -19.240 11.861 150 HA LEU 32 HA LEU 32 6.714 -21.992 12.717 151 HB2 LEU 32 HB2 LEU 32 7.860 -20.810 10.197 152 HB3 LEU 32 HB3 LEU 32 7.883 -22.518 10.536 153 HG LEU 32 HG LEU 32 5.384 -22.518 10.501 154 HD11 LEU 32 HD11 LEU 32 5.767 -19.677 9.633 155 HD12 LEU 32 HD12 LEU 32 4.861 -20.237 11.046 156 HD13 LEU 32 HD13 LEU 32 4.283 -20.585 9.407 157 HD21 LEU 32 HD21 LEU 32 5.219 -22.211 8.054 158 HD22 LEU 32 HD22 LEU 32 6.616 -23.167 8.580 159 HD23 LEU 32 HD23 LEU 32 6.834 -21.480 8.114 160 H ASN 33 H ASN 33 8.968 -19.681 13.333 161 HA ASN 33 HA ASN 33 11.123 -19.600 14.047 162 HB2 ASN 33 HB2 ASN 33 10.248 -21.539 15.522 163 HB3 ASN 33 HB3 ASN 33 10.978 -22.631 14.359 164 HD21 ASN 33 HD21 ASN 33 13.240 -22.720 14.252 165 HD22 ASN 33 HD22 ASN 33 14.247 -22.150 15.550 166 H LEU 34 H LEU 34 10.710 -19.538 11.446 167 HA LEU 34 HA LEU 34 12.795 -21.181 10.218 168 HB2 LEU 34 HB2 LEU 34 10.229 -20.078 9.101 169 HB3 LEU 34 HB3 LEU 34 11.555 -20.466 8.031 170 HG LEU 34 HG LEU 34 9.940 -22.311 9.778 171 HD11 LEU 34 HD11 LEU 34 9.332 -23.300 7.613 172 HD12 LEU 34 HD12 LEU 34 10.316 -22.071 6.800 173 HD13 LEU 34 HD13 LEU 34 8.898 -21.591 7.702 174 HD21 LEU 34 HD21 LEU 34 12.257 -23.079 9.840 175 HD22 LEU 34 HD22 LEU 34 12.360 -22.927 8.089 176 HD23 LEU 34 HD23 LEU 34 11.295 -24.137 8.804 177 H THR 35 H THR 35 13.401 -19.873 8.033 178 HA THR 35 HA THR 35 14.027 -17.148 8.841 179 HB THR 35 HB THR 35 16.212 -17.444 7.622 180 HG1 THR 35 HG1 THR 35 16.392 -20.088 7.713 181 HG21 THR 35 HG21 THR 35 15.786 -19.424 9.863 182 HG22 THR 35 HG22 THR 35 16.172 -17.715 10.067 183 HG23 THR 35 HG23 THR 35 17.350 -18.805 9.330 184 HA PRO 36 HA PRO 36 12.282 -15.791 5.001 185 HB2 PRO 36 HB2 PRO 36 14.929 -14.810 4.050 186 HB3 PRO 36 HB3 PRO 36 13.392 -13.933 4.192 187 HG2 PRO 36 HG2 PRO 36 15.333 -13.521 5.927 188 HG3 PRO 36 HG3 PRO 36 13.636 -13.541 6.434 189 HD2 PRO 36 HD2 PRO 36 15.745 -15.579 6.857 190 HD3 PRO 36 HD3 PRO 36 14.366 -15.146 7.886 191 H GLN 37 H GLN 37 15.229 -17.664 4.731 192 HA GLN 37 HA GLN 37 14.944 -18.162 1.882 193 HB2 GLN 37 HB2 GLN 37 17.164 -17.999 3.079 194 HB3 GLN 37 HB3 GLN 37 16.780 -19.530 3.849 195 HG2 GLN 37 HG2 GLN 37 16.619 -20.551 1.572 196 HG3 GLN 37 HG3 GLN 37 17.195 -19.028 0.905 197 HE21 GLN 37 HE21 GLN 37 18.282 -20.530 3.889 198 HE22 GLN 37 HE22 GLN 37 19.901 -20.823 3.336 199 H GLN 38 H GLN 38 13.782 -19.565 4.795 200 HA GLN 38 HA GLN 38 13.535 -22.207 3.581 201 HB2 GLN 38 HB2 GLN 38 12.630 -21.309 6.318 202 HB3 GLN 38 HB3 GLN 38 12.712 -22.960 5.735 203 HG2 GLN 38 HG2 GLN 38 14.997 -21.114 6.380 204 HG3 GLN 38 HG3 GLN 38 14.534 -22.587 7.222 205 HE21 GLN 38 HE21 GLN 38 14.996 -24.594 6.231 206 HE22 GLN 38 HE22 GLN 38 16.188 -24.696 4.979 207 H LEU 39 H LEU 39 11.888 -19.360 3.718 208 HA LEU 39 HA LEU 39 9.398 -20.757 3.387 209 HB2 LEU 39 HB2 LEU 39 9.982 -18.324 4.886 210 HB3 LEU 39 HB3 LEU 39 8.445 -18.325 4.017 211 HG LEU 39 HG LEU 39 9.390 -20.290 6.099 212 HD11 LEU 39 HD11 LEU 39 8.922 -18.067 6.998 213 HD12 LEU 39 HD12 LEU 39 7.705 -19.235 7.512 214 HD13 LEU 39 HD13 LEU 39 7.337 -18.086 6.225 215 HD21 LEU 39 HD21 LEU 39 6.759 -19.997 4.676 216 HD22 LEU 39 HD22 LEU 39 7.052 -21.066 6.046 217 HD23 LEU 39 HD23 LEU 39 7.884 -21.348 4.518 218 H HIS 40 H HIS 40 10.223 -20.989 1.287 219 HA HIS 40 HA HIS 40 9.877 -18.874 -0.651 220 HB2 HIS 40 HB2 HIS 40 11.021 -21.326 -0.725 221 HB3 HIS 40 HB3 HIS 40 9.409 -21.798 -1.217 222 HD1 HIS 40 HD1 HIS 40 8.586 -20.520 -3.664 223 HD2 HIS 40 HD2 HIS 40 12.639 -20.475 -2.664 224 HE1 HIS 40 HE1 HIS 40 9.742 -20.289 -5.737 225 H GLU 41 H GLU 41 7.701 -18.453 -1.701 226 HA GLU 41 HA GLU 41 5.721 -19.019 0.213 227 HB2 GLU 41 HB2 GLU 41 4.109 -17.724 -1.181 228 HB3 GLU 41 HB3 GLU 41 5.567 -16.857 -0.752 229 HG2 GLU 41 HG2 GLU 41 6.403 -17.198 -3.025 230 HG3 GLU 41 HG3 GLU 41 4.926 -18.072 -3.435 231 H GLU 42 H GLU 42 6.438 -20.619 -2.668 232 HA GLU 42 HA GLU 42 3.966 -22.052 -2.888 233 HB2 GLU 42 HB2 GLU 42 6.674 -22.669 -4.071 234 HB3 GLU 42 HB3 GLU 42 5.185 -23.350 -4.649 235 HG2 GLU 42 HG2 GLU 42 5.423 -21.724 -6.196 236 HG3 GLU 42 HG3 GLU 42 4.634 -20.740 -4.965 237 H SER 43 H SER 43 6.084 -22.258 -0.466 238 HA SER 43 HA SER 43 6.414 -25.119 -0.331 239 HB2 SER 43 HB2 SER 43 6.881 -23.050 1.824 240 HB3 SER 43 HB3 SER 43 7.510 -24.699 1.786 241 HG SER 43 HG SER 43 8.224 -22.453 0.327 242 H ASN 44 H ASN 44 5.302 -26.521 0.947 243 HA ASN 44 HA ASN 44 2.612 -25.909 1.698 244 HB2 ASN 44 HB2 ASN 44 3.405 -28.188 0.927 245 HB3 ASN 44 HB3 ASN 44 4.288 -28.349 2.434 246 HD21 ASN 44 HD21 ASN 44 2.219 -30.016 1.385 247 HD22 ASN 44 HD22 ASN 44 0.929 -30.020 2.541 248 H LEU 45 H LEU 45 2.051 -24.913 3.523 249 HA LEU 45 HA LEU 45 4.047 -24.281 5.476 250 HB2 LEU 45 HB2 LEU 45 1.085 -23.747 5.555 251 HB3 LEU 45 HB3 LEU 45 2.266 -23.081 6.665 252 HG LEU 45 HG LEU 45 2.044 -22.545 3.730 253 HD11 LEU 45 HD11 LEU 45 1.535 -20.246 4.457 254 HD12 LEU 45 HD12 LEU 45 1.638 -20.774 6.134 255 HD13 LEU 45 HD13 LEU 45 0.361 -21.405 5.091 256 HD21 LEU 45 HD21 LEU 45 4.053 -21.493 5.724 257 HD22 LEU 45 HD22 LEU 45 3.869 -20.908 4.069 258 HD23 LEU 45 HD23 LEU 45 4.392 -22.567 4.367 259 H ILE 46 H ILE 46 1.295 -26.376 5.380 260 HA ILE 46 HA ILE 46 1.134 -27.263 8.036 261 HB ILE 46 HB ILE 46 0.759 -28.764 5.455 262 HG12 ILE 46 HG12 ILE 46 -0.775 -26.912 5.701 263 HG13 ILE 46 HG11 ILE 46 -1.647 -28.436 5.789 264 HG21 ILE 46 HG21 ILE 46 1.185 -30.423 7.050 265 HG22 ILE 46 HG22 ILE 46 -0.540 -30.463 6.680 266 HG23 ILE 46 HG23 ILE 46 0.025 -29.743 8.195 267 HD11 ILE 46 HD11 ILE 46 -1.767 -28.181 8.243 268 HD12 ILE 46 HD12 ILE 46 -2.536 -26.857 7.372 269 HD13 ILE 46 HD13 ILE 46 -0.947 -26.621 8.100 270 H GLN 47 H GLN 47 3.066 -28.292 5.380 271 HA GLN 47 HA GLN 47 4.326 -30.458 6.756 272 HB2 GLN 47 HB2 GLN 47 3.658 -30.369 4.332 273 HB3 GLN 47 HB3 GLN 47 4.980 -29.237 4.099 274 HG2 GLN 47 HG2 GLN 47 6.560 -30.870 4.744 275 HG3 GLN 47 HG3 GLN 47 5.221 -31.990 5.136 276 HE21 GLN 47 HE21 GLN 47 6.050 -33.519 3.650 277 HE22 GLN 47 HE22 GLN 47 5.865 -33.297 1.941 278 H ALA 48 H ALA 48 4.828 -27.129 6.624 279 HA ALA 48 HA ALA 48 7.710 -27.295 7.053 280 HB1 ALA 48 HB1 ALA 48 7.696 -24.855 6.811 281 HB2 ALA 48 HB2 ALA 48 5.937 -24.865 6.692 282 HB3 ALA 48 HB3 ALA 48 6.907 -25.623 5.435 283 H GLY 49 H GLY 49 5.078 -27.661 8.887 284 HA2 GLY 49 HA2 GLY 49 5.343 -27.932 11.267 285 HA3 GLY 49 HA3 GLY 49 6.490 -26.603 11.248 286 H LEU 50 H LEU 50 3.763 -25.999 9.375 287 HA LEU 50 HA LEU 50 2.648 -24.236 11.445 288 HB2 LEU 50 HB2 LEU 50 3.411 -23.403 9.136 289 HB3 LEU 50 HB3 LEU 50 2.131 -24.360 8.457 290 HG LEU 50 HG LEU 50 1.643 -21.955 8.493 291 HD11 LEU 50 HD11 LEU 50 -0.211 -23.463 8.521 292 HD12 LEU 50 HD12 LEU 50 -0.561 -22.013 9.462 293 HD13 LEU 50 HD13 LEU 50 -0.165 -23.524 10.282 294 HD21 LEU 50 HD21 LEU 50 2.865 -21.360 10.497 295 HD22 LEU 50 HD22 LEU 50 1.694 -22.253 11.459 296 HD23 LEU 50 HD23 LEU 50 1.189 -20.811 10.577 297 H ASP 51 H ASP 51 1.393 -25.453 12.664 298 HA ASP 51 HA ASP 51 -0.189 -27.639 11.811 299 HB2 ASP 51 HB2 ASP 51 -1.074 -27.431 14.179 300 HB3 ASP 51 HB3 ASP 51 0.671 -27.636 14.037 301 HA 4HH 52 HA 4HH 52 -3.809 -25.523 11.055 302 H 4HH 52 H 4HH 52 -2.679 -27.364 13.018 303 HB3 4HH 52 HB3 4HH 52 -4.725 -27.849 10.902 304 HB2 4HH 52 HB2 4HH 52 -5.942 -26.698 11.450 305 HJ3 4HH 52 HJ3 4HH 52 -8.272 -27.152 14.799 306 HJ2 4HH 52 HJ2 4HH 52 -9.143 -28.356 13.870 307 HL13 4HH 52 HL13 4HH 52 -9.487 -26.498 11.287 308 HL12 4HH 52 HL12 4HH 52 -10.555 -27.708 11.930 309 HL11 4HH 52 HL11 4HH 52 -11.063 -26.002 11.726 310 HL21 4HH 52 HL21 4HH 52 -8.406 -24.928 12.620 311 HL23 4HH 52 HL23 4HH 52 -9.790 -24.165 13.277 312 HL22 4HH 52 HL22 4HH 52 -8.496 -24.797 14.353 313 HL3 4HH 52 HL3 4HH 52 -11.310 -27.407 14.770 314 HM 4HH 52 HM 4HH 52 -11.130 -25.672 16.239 315 HN 4HH 52 HN 4HH 52 -13.195 -25.658 12.718 316 HO2 4HH 52 HO2 4HH 52 -11.237 -23.861 12.100 317 HO3 4HH 52 HO3 4HH 52 -12.250 -22.996 13.296 318 HP3 4HH 52 HP3 4HH 52 -13.314 -24.156 10.720 319 HP2 4HH 52 HP2 4HH 52 -14.168 -23.243 11.962 320 HS2 4HH 52 HS2 4HH 52 -13.549 -19.464 11.564 321 HS3 4HH 52 HS3 4HH 52 -13.742 -20.602 12.932 322 HT3 4HH 52 HT3 4HH 52 -11.348 -18.845 12.495 323 HT2 4HH 52 HT2 4HH 52 -11.676 -19.891 13.880 324 HR 4HH 52 HR 4HH 52 -11.331 -21.119 11.559 325 HU 4HH 52 HU 4HH 52 -12.117 -17.270 14.701 326 H ILE 53 H ILE 53 -3.033 -25.670 14.157 327 HA ILE 53 HA ILE 53 -5.164 -23.987 15.121 328 HB ILE 53 HB ILE 53 -2.488 -24.656 16.363 329 HG12 ILE 53 HG12 ILE 53 -3.901 -26.620 16.238 330 HG13 ILE 53 HG11 ILE 53 -3.836 -26.061 17.904 331 HG21 ILE 53 HG21 ILE 53 -4.856 -23.220 17.598 332 HG22 ILE 53 HG22 ILE 53 -3.322 -22.485 17.169 333 HG23 ILE 53 HG23 ILE 53 -3.388 -23.691 18.459 334 HD11 ILE 53 HD11 ILE 53 -6.126 -25.629 15.983 335 HD12 ILE 53 HD12 ILE 53 -6.052 -25.033 17.636 336 HD13 ILE 53 HD13 ILE 53 -6.083 -26.768 17.329 337 H ARG 54 H ARG 54 -1.726 -23.718 14.373 338 HA ARG 54 HA ARG 54 -1.497 -20.942 14.372 339 HB2 ARG 54 HB2 ARG 54 -0.114 -23.091 12.897 340 HB3 ARG 54 HB3 ARG 54 0.238 -21.385 12.636 341 HG2 ARG 54 HG2 ARG 54 0.701 -21.177 15.027 342 HG3 ARG 54 HG3 ARG 54 0.491 -22.936 15.164 343 HD2 ARG 54 HD2 ARG 54 2.171 -23.307 13.541 344 HD3 ARG 54 HD3 ARG 54 2.190 -21.553 13.271 345 HE ARG 54 HE ARG 54 3.337 -21.220 15.261 346 HH11 ARG 54 HH11 ARG 54 2.746 -24.680 14.952 347 HH12 ARG 54 HH12 ARG 54 4.290 -25.191 15.409 348 HH21 ARG 54 HH21 ARG 54 5.512 -21.842 15.901 349 HH22 ARG 54 HH22 ARG 54 5.959 -23.486 16.042 350 H LEU 55 H LEU 55 -2.369 -23.195 11.796 351 HA LEU 55 HA LEU 55 -2.715 -21.494 9.608 352 HB2 LEU 55 HB2 LEU 55 -2.881 -24.098 9.937 353 HB3 LEU 55 HB3 LEU 55 -4.564 -23.785 10.278 354 HG LEU 55 HG LEU 55 -4.297 -24.642 8.054 355 HD11 LEU 55 HD11 LEU 55 -5.304 -22.959 6.680 356 HD12 LEU 55 HD12 LEU 55 -4.987 -21.748 7.932 357 HD13 LEU 55 HD13 LEU 55 -6.070 -23.107 8.257 358 HD21 LEU 55 HD21 LEU 55 -2.052 -24.101 7.550 359 HD22 LEU 55 HD22 LEU 55 -2.409 -22.377 7.618 360 HD23 LEU 55 HD23 LEU 55 -3.094 -23.365 6.319 361 H MET 56 H MET 56 -4.972 -22.350 12.212 362 HA MET 56 HA MET 56 -7.020 -20.670 11.151 363 HB2 MET 56 HB2 MET 56 -7.577 -22.636 12.481 364 HB3 MET 56 HB3 MET 56 -6.832 -21.886 13.885 365 HG2 MET 56 HG2 MET 56 -8.528 -19.924 13.199 366 HG3 MET 56 HG3 MET 56 -9.421 -21.302 12.564 367 HE1 MET 56 HE1 MET 56 -7.431 -19.917 15.434 368 HE2 MET 56 HE2 MET 56 -7.085 -21.633 15.712 369 HE3 MET 56 HE3 MET 56 -8.069 -20.739 16.875 370 H ARG 57 H ARG 57 -4.528 -20.237 13.579 371 HA ARG 57 HA ARG 57 -5.475 -17.870 14.688 372 HB2 ARG 57 HB2 ARG 57 -2.675 -18.491 14.001 373 HB3 ARG 57 HB3 ARG 57 -3.160 -17.224 15.109 374 HG2 ARG 57 HG2 ARG 57 -4.141 -19.030 16.541 375 HG3 ARG 57 HG3 ARG 57 -3.333 -20.194 15.473 376 HD2 ARG 57 HD2 ARG 57 -1.327 -18.669 15.774 377 HD3 ARG 57 HD3 ARG 57 -2.240 -18.092 17.172 378 HE ARG 57 HE ARG 57 -2.261 -20.615 17.762 379 HH11 ARG 57 HH11 ARG 57 0.505 -18.796 16.400 380 HH12 ARG 57 HH12 ARG 57 1.687 -19.846 16.859 381 HH21 ARG 57 HH21 ARG 57 -0.558 -22.169 18.499 382 HH22 ARG 57 HH22 ARG 57 1.067 -21.829 18.133 383 H TRP 58 H TRP 58 -3.613 -18.634 11.807 384 HA TRP 58 HA TRP 58 -3.134 -16.034 10.894 385 HB2 TRP 58 HB2 TRP 58 -3.042 -18.722 9.608 386 HB3 TRP 58 HB3 TRP 58 -2.786 -17.293 8.625 387 HD1 TRP 58 HD1 TRP 58 -0.823 -19.740 10.288 388 HE1 TRP 58 HE1 TRP 58 1.466 -18.818 11.053 389 HE3 TRP 58 HE3 TRP 58 -1.794 -14.757 9.866 390 HZ2 TRP 58 HZ2 TRP 58 2.690 -16.245 11.408 391 HZ3 TRP 58 HZ3 TRP 58 -0.039 -13.152 10.429 392 HH2 TRP 58 HH2 TRP 58 2.139 -13.899 11.182 393 H LEU 59 H LEU 59 -5.663 -18.348 10.167 394 HA LEU 59 HA LEU 59 -7.126 -16.774 8.358 395 HB2 LEU 59 HB2 LEU 59 -7.657 -19.100 8.928 396 HB3 LEU 59 HB3 LEU 59 -8.259 -18.535 10.483 397 HG LEU 59 HG LEU 59 -9.761 -16.993 9.190 398 HD11 LEU 59 HD11 LEU 59 -10.332 -17.689 6.936 399 HD12 LEU 59 HD12 LEU 59 -8.968 -18.809 6.947 400 HD13 LEU 59 HD13 LEU 59 -8.691 -17.069 7.065 401 HD21 LEU 59 HD21 LEU 59 -11.382 -18.713 8.784 402 HD22 LEU 59 HD22 LEU 59 -10.525 -18.892 10.339 403 HD23 LEU 59 HD23 LEU 59 -10.078 -19.909 8.930 404 H HIS 60 H HIS 60 -7.148 -16.945 11.831 405 HA HIS 60 HA HIS 60 -9.127 -15.105 12.439 406 HB2 HIS 60 HB2 HIS 60 -8.083 -16.578 14.101 407 HB3 HIS 60 HB3 HIS 60 -6.547 -15.750 13.895 408 HD1 HIS 60 HD1 HIS 60 -6.111 -14.186 15.813 409 HD2 HIS 60 HD2 HIS 60 -10.067 -14.630 14.839 410 HE1 HIS 60 HE1 HIS 60 -7.351 -12.732 17.467 411 H TRP 61 H TRP 61 -5.697 -14.669 11.831 412 HA TRP 61 HA TRP 61 -5.551 -11.922 12.276 413 HB2 TRP 61 HB2 TRP 61 -3.600 -13.451 12.156 414 HB3 TRP 61 HB3 TRP 61 -3.873 -13.636 10.432 415 HD1 TRP 61 HD1 TRP 61 -2.954 -10.844 12.961 416 HE1 TRP 61 HE1 TRP 61 -1.404 -9.162 11.736 417 HE3 TRP 61 HE3 TRP 61 -3.045 -12.873 8.270 418 HZ2 TRP 61 HZ2 TRP 61 -0.372 -8.767 9.169 419 HZ3 TRP 61 HZ3 TRP 61 -1.737 -11.785 6.497 420 HH2 TRP 61 HH2 TRP 61 -0.428 -9.777 6.946 421 H PHE 62 H PHE 62 -6.189 -13.777 9.321 422 HA PHE 62 HA PHE 62 -6.494 -11.525 7.606 423 HB2 PHE 62 HB2 PHE 62 -7.591 -14.336 7.306 424 HB3 PHE 62 HB3 PHE 62 -7.692 -13.094 6.075 425 HD1 PHE 62 HD1 PHE 62 -5.338 -11.918 5.698 426 HD2 PHE 62 HD2 PHE 62 -5.984 -15.893 6.969 427 HE1 PHE 62 HE1 PHE 62 -3.118 -12.573 4.794 428 HE2 PHE 62 HE2 PHE 62 -3.795 -16.566 6.089 429 HZ PHE 62 HZ PHE 62 -2.359 -14.904 5.000 430 H ARG 63 H ARG 63 -8.792 -13.496 9.359 431 HA ARG 63 HA ARG 63 -11.218 -12.468 8.452 432 HB2 ARG 63 HB2 ARG 63 -10.666 -14.474 9.985 433 HB3 ARG 63 HB3 ARG 63 -10.675 -13.313 11.294 434 HG2 ARG 63 HG2 ARG 63 -12.770 -14.378 11.288 435 HG3 ARG 63 HG3 ARG 63 -13.043 -12.756 10.634 436 HD2 ARG 63 HD2 ARG 63 -12.997 -13.693 8.358 437 HD3 ARG 63 HD3 ARG 63 -12.708 -15.295 9.045 438 HE ARG 63 HE ARG 63 -15.052 -13.935 9.998 439 HH11 ARG 63 HH11 ARG 63 -13.827 -16.302 7.617 440 HH12 ARG 63 HH12 ARG 63 -15.312 -17.000 7.297 441 HH21 ARG 63 HH21 ARG 63 -17.168 -14.953 9.562 442 HH22 ARG 63 HH22 ARG 63 -17.273 -16.234 8.448 443 H LYS 64 H LYS 64 -9.026 -11.413 10.885 444 HA LYS 64 HA LYS 64 -10.524 -9.328 12.107 445 HB2 LYS 64 HB2 LYS 64 -8.664 -10.612 13.077 446 HB3 LYS 64 HB3 LYS 64 -7.574 -9.846 11.946 447 HG2 LYS 64 HG2 LYS 64 -8.142 -7.663 13.000 448 HG3 LYS 64 HG3 LYS 64 -9.057 -8.561 14.220 449 HD2 LYS 64 HD2 LYS 64 -6.998 -8.395 15.252 450 HD3 LYS 64 HD3 LYS 64 -6.894 -9.953 14.440 451 HE2 LYS 64 HE2 LYS 64 -5.688 -7.329 13.483 452 HE3 LYS 64 HE3 LYS 64 -4.807 -8.707 14.115 453 HZ1 LYS 64 HZ1 LYS 64 -6.212 -8.492 11.491 454 HZ2 LYS 64 HZ2 LYS 64 -5.695 -9.954 12.056 455 HZ3 LYS 64 HZ3 LYS 64 -4.588 -8.729 11.739 456 H ASN 65 H ASN 65 -8.647 -9.530 9.169 457 HA ASN 65 HA ASN 65 -8.353 -6.618 9.018 458 HB2 ASN 65 HB2 ASN 65 -7.078 -8.846 7.419 459 HB3 ASN 65 HB3 ASN 65 -7.058 -7.187 6.845 460 HD21 ASN 65 HD21 ASN 65 -4.795 -7.052 6.926 461 HD22 ASN 65 HD22 ASN 65 -3.933 -6.971 8.368 462 H GLY 66 H GLY 66 -10.661 -8.724 8.388 463 HA2 GLY 66 HA2 GLY 66 -12.656 -7.942 7.349 464 HA3 GLY 66 HA3 GLY 66 -11.666 -7.032 6.221 465 H TYR 67 H TYR 67 -10.299 -10.074 6.524 466 HA TYR 67 HA TYR 67 -11.396 -10.874 3.975 467 HB2 TYR 67 HB2 TYR 67 -9.482 -12.239 5.857 468 HB3 TYR 67 HB3 TYR 67 -9.915 -12.856 4.276 469 HD1 TYR 67 HD1 TYR 67 -8.176 -10.085 6.028 470 HD2 TYR 67 HD2 TYR 67 -8.773 -12.120 2.361 471 HE1 TYR 67 HE1 TYR 67 -6.246 -8.905 5.064 472 HE2 TYR 67 HE2 TYR 67 -6.850 -10.904 1.395 473 HH TYR 67 HH TYR 67 -4.721 -9.047 3.313 474 H ARG 68 H ARG 68 -13.451 -11.796 4.005 475 HA ARG 68 HA ARG 68 -14.390 -13.339 6.238 476 HB2 ARG 68 HB2 ARG 68 -15.722 -11.874 4.699 477 HB3 ARG 68 HB3 ARG 68 -15.402 -13.018 3.417 478 HG2 ARG 68 HG2 ARG 68 -16.520 -14.691 5.053 479 HG3 ARG 68 HG3 ARG 68 -17.211 -13.203 5.740 480 HD2 ARG 68 HD2 ARG 68 -18.725 -13.993 4.036 481 HD3 ARG 68 HD3 ARG 68 -17.905 -12.552 3.424 482 HE ARG 68 HE ARG 68 -17.278 -15.325 2.672 483 HH11 ARG 68 HH11 ARG 68 -16.915 -11.789 1.883 484 HH12 ARG 68 HH12 ARG 68 -16.383 -12.188 0.337 485 HH21 ARG 68 HH21 ARG 68 -16.444 -15.610 0.426 486 HH22 ARG 68 HH22 ARG 68 -16.111 -14.139 -0.436 487 H LEU 69 H LEU 69 -12.141 -14.547 5.655 488 HA LEU 69 HA LEU 69 -12.493 -16.654 3.684 489 HB2 LEU 69 HB2 LEU 69 -10.179 -15.805 5.402 490 HB3 LEU 69 HB3 LEU 69 -10.156 -17.303 4.503 491 HG LEU 69 HG LEU 69 -10.507 -14.601 3.192 492 HD11 LEU 69 HD11 LEU 69 -8.322 -14.745 4.346 493 HD12 LEU 69 HD12 LEU 69 -8.147 -14.777 2.592 494 HD13 LEU 69 HD13 LEU 69 -8.007 -16.270 3.516 495 HD21 LEU 69 HD21 LEU 69 -11.322 -16.476 1.885 496 HD22 LEU 69 HD22 LEU 69 -9.820 -17.347 2.175 497 HD23 LEU 69 HD23 LEU 69 -9.804 -15.891 1.193 498 H THR 70 H THR 70 -12.784 -18.692 4.131 499 HA THR 70 HA THR 70 -13.491 -19.501 6.838 500 HB THR 70 HB THR 70 -13.437 -21.212 4.365 501 HG1 THR 70 HG1 THR 70 -14.537 -19.404 3.707 502 HG21 THR 70 HG21 THR 70 -14.001 -22.279 6.504 503 HG22 THR 70 HG22 THR 70 -15.397 -22.268 5.428 504 HG23 THR 70 HG23 THR 70 -15.297 -21.110 6.754 505 H LEU 71 H LEU 71 -12.319 -21.393 7.810 506 HA LEU 71 HA LEU 71 -9.533 -21.192 7.410 507 HB2 LEU 71 HB2 LEU 71 -10.646 -22.148 9.539 508 HB3 LEU 71 HB3 LEU 71 -10.799 -23.621 8.610 509 HG LEU 71 HG LEU 71 -8.367 -23.649 8.296 510 HD11 LEU 71 HD11 LEU 71 -8.541 -21.300 10.122 511 HD12 LEU 71 HD12 LEU 71 -7.830 -21.338 8.492 512 HD13 LEU 71 HD13 LEU 71 -7.080 -22.216 9.830 513 HD21 LEU 71 HD21 LEU 71 -9.245 -23.453 11.147 514 HD22 LEU 71 HD22 LEU 71 -7.831 -24.305 10.535 515 HD23 LEU 71 HD23 LEU 71 -9.457 -24.859 10.106 516 H ARG 72 H ARG 72 -11.888 -23.415 6.245 517 HA ARG 72 HA ARG 72 -10.165 -25.359 5.367 518 HB2 ARG 72 HB2 ARG 72 -12.884 -24.615 4.349 519 HB3 ARG 72 HB3 ARG 72 -12.021 -26.010 3.729 520 HG2 ARG 72 HG2 ARG 72 -11.992 -26.966 6.001 521 HG3 ARG 72 HG3 ARG 72 -12.904 -25.568 6.582 522 HD2 ARG 72 HD2 ARG 72 -14.746 -26.119 5.088 523 HD3 ARG 72 HD3 ARG 72 -13.833 -27.471 4.427 524 HE ARG 72 HE ARG 72 -13.962 -27.923 7.119 525 HH11 ARG 72 HH11 ARG 72 -16.353 -27.497 4.538 526 HH12 ARG 72 HH12 ARG 72 -17.525 -28.522 5.210 527 HH21 ARG 72 HH21 ARG 72 -15.591 -29.379 8.090 528 HH22 ARG 72 HH22 ARG 72 -17.071 -29.631 7.304 529 H GLU 73 H GLU 73 -10.937 -22.206 3.946 530 HA GLU 73 HA GLU 73 -10.159 -22.739 1.268 531 HB2 GLU 73 HB2 GLU 73 -10.323 -20.133 2.824 532 HB3 GLU 73 HB3 GLU 73 -9.904 -20.219 1.126 533 HG2 GLU 73 HG2 GLU 73 -12.025 -21.096 0.554 534 HG3 GLU 73 HG3 GLU 73 -12.487 -21.277 2.250 535 H LEU 74 H LEU 74 -8.469 -21.539 4.121 536 HA LEU 74 HA LEU 74 -5.951 -21.219 2.757 537 HB2 LEU 74 HB2 LEU 74 -6.401 -21.601 5.704 538 HB3 LEU 74 HB3 LEU 74 -4.966 -20.958 4.946 539 HG LEU 74 HG LEU 74 -7.622 -19.684 5.369 540 HD11 LEU 74 HD11 LEU 74 -4.826 -18.972 6.131 541 HD12 LEU 74 HD12 LEU 74 -6.046 -19.660 7.213 542 HD13 LEU 74 HD13 LEU 74 -6.257 -18.029 6.549 543 HD21 LEU 74 HD21 LEU 74 -6.936 -19.104 3.135 544 HD22 LEU 74 HD22 LEU 74 -5.327 -18.660 3.758 545 HD23 LEU 74 HD23 LEU 74 -6.772 -17.736 4.255 546 H TYR 75 H TYR 75 -7.674 -23.599 4.461 547 HA TYR 75 HA TYR 75 -5.576 -25.346 5.235 548 HB2 TYR 75 HB2 TYR 75 -8.060 -25.032 6.141 549 HB3 TYR 75 HB3 TYR 75 -8.429 -26.277 4.940 550 HD1 TYR 75 HD2 TYR 75 -6.112 -28.044 5.305 551 HD2 TYR 75 HD1 TYR 75 -8.378 -25.736 8.012 552 HE1 TYR 75 HE2 TYR 75 -5.503 -29.576 7.089 553 HE2 TYR 75 HE1 TYR 75 -7.896 -27.079 9.741 554 HH TYR 75 HH TYR 75 -6.806 -29.449 10.348 555 H ALA 76 H ALA 76 -7.735 -25.136 2.438 556 HA ALA 76 HA ALA 76 -7.156 -27.690 1.365 557 HB1 ALA 76 HB1 ALA 76 -8.248 -26.882 -0.661 558 HB2 ALA 76 HB2 ALA 76 -8.177 -25.228 -0.052 559 HB3 ALA 76 HB3 ALA 76 -9.175 -26.427 0.770 560 H ALA 77 H ALA 77 -5.706 -24.541 0.997 561 HA ALA 77 HA ALA 77 -3.497 -25.831 -0.388 562 HB1 ALA 77 HB1 ALA 77 -4.713 -23.201 -1.252 563 HB2 ALA 77 HB2 ALA 77 -4.844 -24.727 -2.126 564 HB3 ALA 77 HB3 ALA 77 -3.272 -23.948 -1.940 565 HA PRO 78 HA PRO 78 -2.146 -23.194 3.058 566 HB2 PRO 78 HB2 PRO 78 -0.651 -25.246 4.256 567 HB3 PRO 78 HB3 PRO 78 -2.274 -24.720 4.744 568 HG2 PRO 78 HG2 PRO 78 -1.607 -27.206 3.629 569 HG3 PRO 78 HG3 PRO 78 -3.234 -26.552 3.890 570 HD2 PRO 78 HD2 PRO 78 -1.644 -26.684 1.402 571 HD3 PRO 78 HD3 PRO 78 -3.406 -26.670 1.632 572 H THR 79 H THR 79 -0.938 -22.146 1.506 573 HA THR 79 HA THR 79 1.913 -22.645 1.632 574 HB THR 79 HB THR 79 2.089 -22.116 -0.827 575 HG1 THR 79 HG1 THR 79 -0.697 -22.633 -0.793 576 HG21 THR 79 HG21 THR 79 1.440 -24.310 -1.699 577 HG22 THR 79 HG22 THR 79 0.458 -24.570 -0.241 578 HG23 THR 79 HG23 THR 79 2.219 -24.465 -0.113 579 H LEU 80 H LEU 80 2.976 -20.572 1.174 580 HA LEU 80 HA LEU 80 1.371 -18.392 2.113 581 HB2 LEU 80 HB2 LEU 80 4.029 -18.958 2.232 582 HB3 LEU 80 HB3 LEU 80 4.023 -17.882 0.856 583 HG LEU 80 HG LEU 80 3.051 -17.197 3.629 584 HD11 LEU 80 HD11 LEU 80 5.534 -16.319 2.180 585 HD12 LEU 80 HD12 LEU 80 5.435 -17.406 3.582 586 HD13 LEU 80 HD13 LEU 80 4.933 -15.721 3.732 587 HD21 LEU 80 HD21 LEU 80 2.960 -14.912 2.846 588 HD22 LEU 80 HD22 LEU 80 1.831 -15.938 1.943 589 HD23 LEU 80 HD23 LEU 80 3.372 -15.444 1.223 590 H ALA 81 H ALA 81 2.474 -19.622 -0.946 591 HA ALA 81 HA ALA 81 1.962 -17.438 -2.634 592 HB1 ALA 81 HB1 ALA 81 2.056 -19.029 -4.455 593 HB2 ALA 81 HB2 ALA 81 1.826 -20.365 -3.330 594 HB3 ALA 81 HB3 ALA 81 3.306 -19.411 -3.266 595 H ALA 82 H ALA 82 -0.137 -20.261 -1.854 596 HA ALA 82 HA ALA 82 -2.253 -19.310 -3.487 597 HB1 ALA 82 HB1 ALA 82 -3.684 -20.906 -2.359 598 HB2 ALA 82 HB2 ALA 82 -2.434 -21.203 -1.148 599 HB3 ALA 82 HB3 ALA 82 -2.162 -21.663 -2.837 600 H TRP 83 H TRP 83 -1.401 -18.898 -0.131 601 HA TRP 83 HA TRP 83 -3.732 -17.565 0.654 602 HB2 TRP 83 HB2 TRP 83 -0.909 -17.439 1.679 603 HB3 TRP 83 HB3 TRP 83 -2.225 -16.533 2.413 604 HD1 TRP 83 HD1 TRP 83 -3.264 -19.964 1.252 605 HE1 TRP 83 HE1 TRP 83 -3.483 -21.517 3.235 606 HE3 TRP 83 HE3 TRP 83 -1.134 -16.970 4.708 607 HZ2 TRP 83 HZ2 TRP 83 -2.913 -21.426 5.981 608 HZ3 TRP 83 HZ3 TRP 83 -0.993 -17.764 7.061 609 HH2 TRP 83 HH2 TRP 83 -1.858 -19.961 7.679 610 H ASN 84 H ASN 84 -0.613 -16.317 -0.395 611 HA ASN 84 HA ASN 84 -1.093 -13.631 -0.617 612 HB2 ASN 84 HB2 ASN 84 1.081 -14.668 -1.078 613 HB3 ASN 84 HB3 ASN 84 0.430 -15.456 -2.492 614 HD21 ASN 84 HD21 ASN 84 2.282 -14.525 -3.542 615 HD22 ASN 84 HD22 ASN 84 2.199 -12.906 -4.116 616 H GLN 85 H GLN 85 -1.838 -16.075 -3.075 617 HA GLN 85 HA GLN 85 -3.122 -14.397 -4.931 618 HB2 GLN 85 HB2 GLN 85 -2.416 -16.708 -5.442 619 HB3 GLN 85 HB3 GLN 85 -3.648 -17.333 -4.361 620 HG2 GLN 85 HG2 GLN 85 -4.349 -17.523 -6.677 621 HG3 GLN 85 HG3 GLN 85 -5.390 -16.401 -5.803 622 HE21 GLN 85 HE21 GLN 85 -2.946 -16.719 -8.244 623 HE22 GLN 85 HE22 GLN 85 -3.144 -15.121 -8.891 624 H LEU 86 H LEU 86 -4.482 -16.331 -2.281 625 HA LEU 86 HA LEU 86 -7.179 -15.610 -2.607 626 HB2 LEU 86 HB2 LEU 86 -5.684 -16.524 -0.165 627 HB3 LEU 86 HB3 LEU 86 -7.422 -16.339 -0.235 628 HG LEU 86 HG LEU 86 -5.842 -18.249 -1.967 629 HD11 LEU 86 HD11 LEU 86 -5.760 -18.830 0.405 630 HD12 LEU 86 HD12 LEU 86 -6.694 -19.984 -0.550 631 HD13 LEU 86 HD13 LEU 86 -7.532 -18.782 0.451 632 HD21 LEU 86 HD21 LEU 86 -7.970 -17.542 -2.969 633 HD22 LEU 86 HD22 LEU 86 -8.798 -17.988 -1.467 634 HD23 LEU 86 HD23 LEU 86 -8.016 -19.227 -2.439 635 H MET 87 H MET 87 -4.520 -13.922 -1.207 636 HA MET 87 HA MET 87 -6.107 -12.362 0.596 637 HB2 MET 87 HB2 MET 87 -3.203 -12.165 -0.180 638 HB3 MET 87 HB3 MET 87 -3.979 -11.049 0.928 639 HG2 MET 87 HG2 MET 87 -4.423 -12.840 2.474 640 HG3 MET 87 HG3 MET 87 -3.770 -14.016 1.333 641 HE1 MET 87 HE1 MET 87 -1.265 -10.755 3.386 642 HE2 MET 87 HE2 MET 87 -3.014 -10.919 3.556 643 HE3 MET 87 HE3 MET 87 -2.317 -10.413 2.022 644 H LEU 88 H LEU 88 -4.524 -12.112 -2.449 645 HA LEU 88 HA LEU 88 -5.030 -9.397 -2.763 646 HB2 LEU 88 HB2 LEU 88 -3.170 -10.094 -3.941 647 HB3 LEU 88 HB3 LEU 88 -3.875 -11.654 -4.301 648 HG LEU 88 HG LEU 88 -5.345 -10.612 -5.721 649 HD11 LEU 88 HD11 LEU 88 -4.664 -8.291 -6.727 650 HD12 LEU 88 HD12 LEU 88 -3.485 -8.182 -5.416 651 HD13 LEU 88 HD13 LEU 88 -5.208 -8.227 -5.049 652 HD21 LEU 88 HD21 LEU 88 -2.432 -10.426 -6.410 653 HD22 LEU 88 HD22 LEU 88 -3.703 -10.332 -7.630 654 HD23 LEU 88 HD23 LEU 88 -3.528 -11.790 -6.647 655 H SER 89 H SER 89 -6.529 -12.403 -3.858 656 HA SER 89 HA SER 89 -8.343 -11.073 -5.498 657 HB2 SER 89 HB2 SER 89 -8.541 -13.819 -4.244 658 HB3 SER 89 HB3 SER 89 -9.534 -13.238 -5.583 659 HG SER 89 HG SER 89 -6.712 -13.691 -5.580 660 H ARG 90 H ARG 90 -8.382 -12.023 -2.093 661 HA ARG 90 HA ARG 90 -11.141 -11.264 -1.727 662 HB2 ARG 90 HB2 ARG 90 -9.011 -12.025 0.254 663 HB3 ARG 90 HB3 ARG 90 -10.637 -11.569 0.715 664 HG2 ARG 90 HG2 ARG 90 -9.913 -13.932 -1.003 665 HG3 ARG 90 HG3 ARG 90 -10.219 -13.977 0.733 666 HD2 ARG 90 HD2 ARG 90 -12.486 -13.130 0.327 667 HD3 ARG 90 HD3 ARG 90 -12.172 -13.178 -1.410 668 HE ARG 90 HE ARG 90 -11.906 -15.617 0.191 669 HH11 ARG 90 HH11 ARG 90 -13.697 -13.805 -2.261 670 HH12 ARG 90 HH12 ARG 90 -14.461 -15.146 -2.931 671 HH21 ARG 90 HH21 ARG 90 -12.961 -17.505 -0.619 672 HH22 ARG 90 HH22 ARG 90 -14.019 -17.384 -1.939 673 H SER 91 H SER 91 -7.991 -10.039 -0.332 674 HA SER 91 HA SER 91 -7.775 -8.393 1.201 675 HB2 SER 91 HB2 SER 91 -9.262 -7.043 -1.086 676 HB3 SER 91 HB3 SER 91 -8.328 -6.157 0.125 677 HG SER 91 HG SER 91 -7.047 -8.278 -1.038 678 HA PRO 92 HA PRO 92 -11.738 -7.705 3.451 679 HB2 PRO 92 HB2 PRO 92 -12.630 -5.084 2.360 680 HB3 PRO 92 HB3 PRO 92 -12.398 -5.559 4.056 681 HG2 PRO 92 HG2 PRO 92 -10.698 -3.909 2.914 682 HG3 PRO 92 HG3 PRO 92 -10.136 -5.180 4.021 683 HD2 PRO 92 HD2 PRO 92 -10.040 -5.126 1.038 684 HD3 PRO 92 HD3 PRO 92 -8.816 -5.680 2.204 685 H GLU 93 H GLU 93 -13.228 -9.123 2.694 686 HA GLU 93 HA GLU 93 -15.166 -8.439 0.800 687 HB2 GLU 93 HB2 GLU 93 -13.190 -9.457 -0.555 688 HB3 GLU 93 HB3 GLU 93 -13.429 -10.912 0.409 689 HG2 GLU 93 HG2 GLU 93 -15.890 -10.529 -0.323 690 HG3 GLU 93 HG3 GLU 93 -15.133 -9.736 -1.704 Start of MODEL 6 1 H ASP 14 HT1 ASP 14 5.982 -5.766 -1.644 2 HA ASP 14 HA ASP 14 3.357 -5.100 -0.560 3 HB2 ASP 14 HB2 ASP 14 4.381 -3.001 -1.047 4 HB3 ASP 14 HB3 ASP 14 5.152 -3.630 -2.500 5 H ASN 15 H ASN 15 1.684 -5.534 -1.889 6 HA ASN 15 HA ASN 15 1.914 -6.445 -4.524 7 HB2 ASN 15 HB2 ASN 15 2.585 -8.552 -3.265 8 HB3 ASN 15 HB3 ASN 15 1.005 -8.555 -2.500 9 HD21 ASN 15 HD21 ASN 15 0.504 -10.611 -3.446 10 HD22 ASN 15 HD22 ASN 15 0.141 -10.741 -5.118 11 H ARG 16 H ARG 16 0.773 -4.365 -3.055 12 HA ARG 16 HA ARG 16 -0.946 -3.095 -3.024 13 HB2 ARG 16 HB2 ARG 16 -2.406 -5.235 -4.588 14 HB3 ARG 16 HB3 ARG 16 -3.212 -3.784 -4.046 15 HG2 ARG 16 HG2 ARG 16 -2.686 -3.380 -6.299 16 HG3 ARG 16 HG3 ARG 16 -1.473 -2.490 -5.400 17 HD2 ARG 16 HD2 ARG 16 -0.941 -5.258 -6.470 18 HD3 ARG 16 HD3 ARG 16 -0.758 -3.840 -7.485 19 HE ARG 16 HE ARG 16 0.786 -3.298 -5.299 20 HH11 ARG 16 HH11 ARG 16 0.639 -6.095 -7.461 21 HH12 ARG 16 HH12 ARG 16 2.305 -6.400 -7.441 22 HH21 ARG 16 HH21 ARG 16 3.070 -3.704 -5.234 23 HH22 ARG 16 HH22 ARG 16 3.758 -4.959 -6.151 24 H HIS 17 H HIS 17 -3.600 -5.265 -2.660 25 HA HIS 17 HA HIS 17 -3.604 -4.662 0.245 26 HB2 HIS 17 HB2 HIS 17 -5.687 -5.006 -1.514 27 HB3 HIS 17 HB3 HIS 17 -5.518 -6.637 -0.873 28 HD1 HIS 17 HD1 HIS 17 -5.881 -6.850 1.864 29 HD2 HIS 17 HD2 HIS 17 -6.870 -3.207 0.108 30 HE1 HIS 17 HE1 HIS 17 -7.352 -5.657 3.493 31 H ALA 18 H ALA 18 -2.598 -7.033 -1.812 32 HA ALA 18 HA ALA 18 -2.274 -8.958 0.170 33 HB1 ALA 18 HB1 ALA 18 -2.321 -9.660 -2.071 34 HB2 ALA 18 HB2 ALA 18 -0.700 -10.017 -1.455 35 HB3 ALA 18 HB3 ALA 18 -0.977 -8.620 -2.511 36 H ALA 19 H ALA 19 -0.722 -5.959 -0.353 37 HA ALA 19 HA ALA 19 1.863 -6.522 0.644 38 HB1 ALA 19 HB1 ALA 19 1.995 -4.191 1.294 39 HB2 ALA 19 HB2 ALA 19 0.250 -4.019 1.120 40 HB3 ALA 19 HB3 ALA 19 1.251 -4.318 -0.303 41 H ASP 20 H ASP 20 -1.211 -6.483 2.233 42 HA ASP 20 HA ASP 20 -0.337 -6.284 4.913 43 HB2 ASP 20 HB2 ASP 20 -2.707 -6.066 4.215 44 HB3 ASP 20 HB3 ASP 20 -2.703 -7.737 3.681 45 H TYR 21 H TYR 21 -0.390 -8.782 2.543 46 HA TYR 21 HA TYR 21 0.172 -11.107 4.150 47 HB2 TYR 21 HB2 TYR 21 0.064 -12.216 2.179 48 HB3 TYR 21 HB3 TYR 21 -0.092 -10.675 1.363 49 HD1 TYR 21 HD2 TYR 21 2.023 -9.592 0.397 50 HD2 TYR 21 HD1 TYR 21 2.078 -13.560 1.950 51 HE1 TYR 21 HE2 TYR 21 4.098 -10.053 -0.828 52 HE2 TYR 21 HE1 TYR 21 4.091 -14.034 0.747 53 HH TYR 21 HH TYR 21 5.325 -13.142 -1.306 54 H GLN 22 H GLN 22 2.108 -8.480 3.254 55 HA GLN 22 HA GLN 22 4.697 -9.558 3.219 56 HB2 GLN 22 HB2 GLN 22 4.068 -7.187 2.680 57 HB3 GLN 22 HB3 GLN 22 3.900 -6.904 4.410 58 HG2 GLN 22 HG2 GLN 22 6.009 -6.184 4.048 59 HG3 GLN 22 HG3 GLN 22 6.250 -7.871 4.531 60 HE21 GLN 22 HE21 GLN 22 8.117 -8.269 3.421 61 HE22 GLN 22 HE22 GLN 22 8.245 -8.235 1.710 62 H GLN 23 H GLN 23 2.734 -8.257 5.814 63 HA GLN 23 HA GLN 23 4.671 -8.632 7.797 64 HB2 GLN 23 HB2 GLN 23 1.688 -8.231 8.016 65 HB3 GLN 23 HB3 GLN 23 2.742 -8.241 9.414 66 HG2 GLN 23 HG2 GLN 23 2.840 -6.297 7.108 67 HG3 GLN 23 HG3 GLN 23 2.202 -5.975 8.720 68 HE21 GLN 23 HE21 GLN 23 4.357 -4.654 7.269 69 HE22 GLN 23 HE22 GLN 23 5.760 -4.804 8.279 70 H LEU 24 H LEU 24 1.919 -10.466 6.676 71 HA LEU 24 HA LEU 24 1.834 -12.630 8.486 72 HB2 LEU 24 HB2 LEU 24 0.123 -12.324 6.797 73 HB3 LEU 24 HB3 LEU 24 1.310 -12.524 5.522 74 HG LEU 24 HG LEU 24 1.695 -14.844 6.410 75 HD11 LEU 24 HD11 LEU 24 0.754 -14.622 8.578 76 HD12 LEU 24 HD12 LEU 24 -0.086 -15.876 7.667 77 HD13 LEU 24 HD13 LEU 24 -0.839 -14.294 7.894 78 HD21 LEU 24 HD21 LEU 24 -1.053 -14.287 5.338 79 HD22 LEU 24 HD22 LEU 24 -0.111 -15.802 5.291 80 HD23 LEU 24 HD23 LEU 24 0.441 -14.401 4.382 81 H ARG 25 H ARG 25 3.601 -12.252 5.486 82 HA ARG 25 HA ARG 25 4.756 -14.733 5.361 83 HB2 ARG 25 HB2 ARG 25 4.539 -12.892 3.641 84 HB3 ARG 25 HB3 ARG 25 5.974 -12.191 4.371 85 HG2 ARG 25 HG2 ARG 25 7.184 -14.271 3.905 86 HG3 ARG 25 HG3 ARG 25 5.713 -14.869 3.113 87 HD2 ARG 25 HD2 ARG 25 7.118 -14.012 1.404 88 HD3 ARG 25 HD3 ARG 25 5.746 -12.920 1.672 89 HE ARG 25 HE ARG 25 7.772 -12.017 3.311 90 HH11 ARG 25 HH11 ARG 25 7.154 -12.188 -0.156 91 HH12 ARG 25 HH12 ARG 25 8.394 -11.123 -0.597 92 HH21 ARG 25 HH21 ARG 25 9.284 -10.534 2.855 93 HH22 ARG 25 HH22 ARG 25 9.747 -10.086 1.261 94 H GLU 26 H GLU 26 6.203 -11.673 6.416 95 HA GLU 26 HA GLU 26 8.573 -12.781 7.279 96 HB2 GLU 26 HB2 GLU 26 7.261 -10.172 7.576 97 HB3 GLU 26 HB3 GLU 26 8.543 -10.548 8.719 98 HG2 GLU 26 HG2 GLU 26 9.500 -9.403 6.875 99 HG3 GLU 26 HG3 GLU 26 10.061 -11.053 6.855 100 H ARG 27 H ARG 27 5.518 -12.437 9.027 101 HA ARG 27 HA ARG 27 6.745 -13.066 11.522 102 HB2 ARG 27 HB2 ARG 27 4.642 -11.678 11.153 103 HB3 ARG 27 HB3 ARG 27 3.815 -13.204 10.867 104 HG2 ARG 27 HG2 ARG 27 5.453 -12.907 13.300 105 HG3 ARG 27 HG3 ARG 27 3.894 -12.094 13.235 106 HD2 ARG 27 HD2 ARG 27 2.776 -14.180 12.950 107 HD3 ARG 27 HD3 ARG 27 4.293 -15.011 12.620 108 HE ARG 27 HE ARG 27 4.366 -13.894 15.180 109 HH11 ARG 27 HH11 ARG 27 2.478 -16.352 13.475 110 HH12 ARG 27 HH12 ARG 27 2.678 -17.516 14.733 111 HH21 ARG 27 HH21 ARG 27 4.506 -15.603 16.955 112 HH22 ARG 27 HH22 ARG 27 3.762 -17.101 16.612 113 H LEU 28 H LEU 28 5.289 -14.839 8.888 114 HA LEU 28 HA LEU 28 4.987 -17.304 10.276 115 HB2 LEU 28 HB2 LEU 28 5.127 -16.618 7.354 116 HB3 LEU 28 HB3 LEU 28 5.013 -18.278 7.901 117 HG LEU 28 HG LEU 28 2.958 -16.164 8.571 118 HD11 LEU 28 HD11 LEU 28 3.001 -16.550 6.177 119 HD12 LEU 28 HD12 LEU 28 1.571 -17.287 6.904 120 HD13 LEU 28 HD13 LEU 28 2.949 -18.289 6.448 121 HD21 LEU 28 HD21 LEU 28 2.970 -19.153 8.781 122 HD22 LEU 28 HD22 LEU 28 1.596 -18.082 9.036 123 HD23 LEU 28 HD23 LEU 28 2.985 -17.992 10.128 124 H ILE 29 H ILE 29 7.470 -15.945 8.241 125 HA ILE 29 HA ILE 29 9.388 -17.962 8.148 126 HB ILE 29 HB ILE 29 9.563 -14.960 8.394 127 HG12 ILE 29 HG12 ILE 29 10.050 -16.808 6.053 128 HG13 ILE 29 HG11 ILE 29 8.578 -15.890 6.341 129 HG21 ILE 29 HG21 ILE 29 11.917 -15.068 7.743 130 HG22 ILE 29 HG22 ILE 29 11.873 -16.828 7.957 131 HG23 ILE 29 HG23 ILE 29 11.577 -15.754 9.333 132 HD11 ILE 29 HD11 ILE 29 11.305 -14.730 5.839 133 HD12 ILE 29 HD12 ILE 29 9.815 -13.810 6.055 134 HD13 ILE 29 HD13 ILE 29 10.011 -14.863 4.653 135 H GLN 30 H GLN 30 8.959 -15.517 10.667 136 HA GLN 30 HA GLN 30 10.979 -16.581 12.326 137 HB2 GLN 30 HB2 GLN 30 8.748 -14.677 12.910 138 HB3 GLN 30 HB3 GLN 30 10.047 -15.053 14.050 139 HG2 GLN 30 HG2 GLN 30 10.297 -13.734 11.351 140 HG3 GLN 30 HG3 GLN 30 10.500 -12.991 12.937 141 HE21 GLN 30 HE21 GLN 30 12.375 -13.414 14.118 142 HE22 GLN 30 HE22 GLN 30 13.769 -14.116 13.358 143 H GLU 31 H GLU 31 7.490 -17.039 12.219 144 HA GLU 31 HA GLU 31 7.108 -18.421 14.663 145 HB2 GLU 31 HB2 GLU 31 5.248 -17.487 13.399 146 HB3 GLU 31 HB3 GLU 31 5.596 -18.550 12.049 147 HG2 GLU 31 HG2 GLU 31 3.709 -19.441 13.144 148 HG3 GLU 31 HG3 GLU 31 5.063 -20.481 13.556 149 H LEU 32 H LEU 32 7.902 -19.517 11.412 150 HA LEU 32 HA LEU 32 7.765 -22.318 12.106 151 HB2 LEU 32 HB2 LEU 32 8.840 -21.021 9.618 152 HB3 LEU 32 HB3 LEU 32 8.417 -22.705 9.820 153 HG LEU 32 HG LEU 32 6.477 -20.391 9.822 154 HD11 LEU 32 HD11 LEU 32 7.473 -20.785 7.685 155 HD12 LEU 32 HD12 LEU 32 5.770 -21.283 7.682 156 HD13 LEU 32 HD13 LEU 32 7.059 -22.495 7.792 157 HD21 LEU 32 HD21 LEU 32 5.631 -22.234 11.200 158 HD22 LEU 32 HD22 LEU 32 5.947 -23.367 9.880 159 HD23 LEU 32 HD23 LEU 32 4.738 -22.098 9.682 160 H ASN 33 H ASN 33 9.952 -19.958 12.744 161 HA ASN 33 HA ASN 33 12.164 -19.781 13.261 162 HB2 ASN 33 HB2 ASN 33 11.487 -21.838 14.670 163 HB3 ASN 33 HB3 ASN 33 12.179 -22.825 13.395 164 HD21 ASN 33 HD21 ASN 33 14.429 -22.802 13.130 165 HD22 ASN 33 HD22 ASN 33 15.508 -22.257 14.381 166 H LEU 34 H LEU 34 11.560 -19.597 10.682 167 HA LEU 34 HA LEU 34 13.630 -21.085 9.252 168 HB2 LEU 34 HB2 LEU 34 10.885 -20.242 8.464 169 HB3 LEU 34 HB3 LEU 34 12.038 -20.588 7.218 170 HG LEU 34 HG LEU 34 10.874 -22.448 9.304 171 HD11 LEU 34 HD11 LEU 34 9.488 -22.066 7.365 172 HD12 LEU 34 HD12 LEU 34 10.099 -23.720 7.387 173 HD13 LEU 34 HD13 LEU 34 10.819 -22.530 6.304 174 HD21 LEU 34 HD21 LEU 34 13.214 -23.032 9.152 175 HD22 LEU 34 HD22 LEU 34 13.137 -23.015 7.398 176 HD23 LEU 34 HD23 LEU 34 12.258 -24.249 8.304 177 H THR 35 H THR 35 14.042 -19.828 7.054 178 HA THR 35 HA THR 35 14.495 -17.044 7.802 179 HB THR 35 HB THR 35 16.600 -17.184 6.413 180 HG1 THR 35 HG1 THR 35 16.353 -19.993 6.606 181 HG21 THR 35 HG21 THR 35 16.426 -19.148 8.699 182 HG22 THR 35 HG22 THR 35 16.714 -17.414 8.861 183 HG23 THR 35 HG23 THR 35 17.917 -18.442 8.073 184 HA PRO 36 HA PRO 36 12.224 -15.692 4.252 185 HB2 PRO 36 HB2 PRO 36 14.511 -13.993 3.420 186 HB3 PRO 36 HB3 PRO 36 12.841 -13.526 3.807 187 HG2 PRO 36 HG2 PRO 36 14.767 -12.982 5.502 188 HG3 PRO 36 HG3 PRO 36 13.191 -13.555 6.081 189 HD2 PRO 36 HD2 PRO 36 15.759 -15.055 5.850 190 HD3 PRO 36 HD3 PRO 36 14.525 -15.103 7.127 191 H GLN 37 H GLN 37 15.351 -17.006 3.557 192 HA GLN 37 HA GLN 37 14.665 -17.189 0.704 193 HB2 GLN 37 HB2 GLN 37 16.892 -16.271 1.182 194 HB3 GLN 37 HB3 GLN 37 17.289 -17.666 2.159 195 HG2 GLN 37 HG2 GLN 37 16.681 -17.955 -0.766 196 HG3 GLN 37 HG3 GLN 37 18.275 -17.454 -0.218 197 HE21 GLN 37 HE21 GLN 37 17.386 -19.884 -1.616 198 HE22 GLN 37 HE22 GLN 37 17.903 -21.200 -0.614 199 H GLN 38 H GLN 38 14.979 -19.062 3.540 200 HA GLN 38 HA GLN 38 15.026 -21.592 2.225 201 HB2 GLN 38 HB2 GLN 38 16.158 -21.160 4.314 202 HB3 GLN 38 HB3 GLN 38 14.655 -20.655 5.049 203 HG2 GLN 38 HG2 GLN 38 13.807 -22.894 4.838 204 HG3 GLN 38 HG3 GLN 38 15.343 -23.405 4.112 205 HE21 GLN 38 HE21 GLN 38 15.811 -24.816 5.809 206 HE22 GLN 38 HE22 GLN 38 16.276 -24.238 7.375 207 H LEU 39 H LEU 39 12.756 -19.396 3.730 208 HA LEU 39 HA LEU 39 10.611 -21.270 3.204 209 HB2 LEU 39 HB2 LEU 39 10.827 -20.329 5.537 210 HB3 LEU 39 HB3 LEU 39 10.566 -18.743 4.870 211 HG LEU 39 HG LEU 39 8.637 -19.850 6.098 212 HD11 LEU 39 HD11 LEU 39 8.313 -17.892 4.750 213 HD12 LEU 39 HD12 LEU 39 6.941 -19.000 4.588 214 HD13 LEU 39 HD13 LEU 39 8.155 -18.889 3.304 215 HD21 LEU 39 HD21 LEU 39 8.855 -22.050 5.134 216 HD22 LEU 39 HD22 LEU 39 8.483 -21.393 3.537 217 HD23 LEU 39 HD23 LEU 39 7.251 -21.379 4.806 218 H HIS 40 H HIS 40 10.592 -20.966 1.066 219 HA HIS 40 HA HIS 40 9.856 -18.401 0.005 220 HB2 HIS 40 HB2 HIS 40 9.639 -19.564 -2.208 221 HB3 HIS 40 HB3 HIS 40 11.177 -19.857 -1.428 222 HD1 HIS 40 HD1 HIS 40 8.949 -21.570 -3.447 223 HD2 HIS 40 HD2 HIS 40 10.932 -22.543 0.065 224 HE1 HIS 40 HE1 HIS 40 8.953 -24.090 -3.315 225 H GLU 41 H GLU 41 7.707 -18.262 -1.307 226 HA GLU 41 HA GLU 41 5.876 -18.833 0.793 227 HB2 GLU 41 HB2 GLU 41 4.223 -17.473 -0.513 228 HB3 GLU 41 HB3 GLU 41 5.668 -16.629 0.008 229 HG2 GLU 41 HG2 GLU 41 6.541 -16.838 -2.287 230 HG3 GLU 41 HG3 GLU 41 5.025 -17.608 -2.766 231 H GLU 42 H GLU 42 6.651 -20.358 -2.042 232 HA GLU 42 HA GLU 42 4.126 -21.692 -2.372 233 HB2 GLU 42 HB2 GLU 42 6.737 -22.735 -3.454 234 HB3 GLU 42 HB3 GLU 42 5.126 -22.943 -4.111 235 HG2 GLU 42 HG2 GLU 42 6.081 -21.449 -5.597 236 HG3 GLU 42 HG3 GLU 42 5.238 -20.362 -4.491 237 H SER 43 H SER 43 6.687 -22.069 -0.146 238 HA SER 43 HA SER 43 6.584 -24.840 0.307 239 HB2 SER 43 HB2 SER 43 7.001 -22.612 2.299 240 HB3 SER 43 HB3 SER 43 7.344 -24.314 2.592 241 HG SER 43 HG SER 43 8.581 -23.619 0.345 242 H ASN 44 H ASN 44 5.210 -26.144 1.390 243 HA ASN 44 HA ASN 44 2.577 -25.294 2.156 244 HB2 ASN 44 HB2 ASN 44 3.298 -27.756 1.450 245 HB3 ASN 44 HB3 ASN 44 4.030 -27.765 2.994 246 HD21 ASN 44 HD21 ASN 44 1.795 -29.375 1.930 247 HD22 ASN 44 HD22 ASN 44 0.509 -29.205 3.070 248 H LEU 45 H LEU 45 2.076 -24.418 4.065 249 HA LEU 45 HA LEU 45 4.195 -23.905 5.924 250 HB2 LEU 45 HB2 LEU 45 1.279 -23.284 6.219 251 HB3 LEU 45 HB3 LEU 45 2.579 -22.659 7.212 252 HG LEU 45 HG LEU 45 2.083 -22.107 4.320 253 HD11 LEU 45 HD11 LEU 45 1.753 -19.793 5.143 254 HD12 LEU 45 HD12 LEU 45 2.014 -20.397 6.786 255 HD13 LEU 45 HD13 LEU 45 0.606 -20.933 5.867 256 HD21 LEU 45 HD21 LEU 45 4.000 -20.548 4.456 257 HD22 LEU 45 HD22 LEU 45 4.491 -22.221 4.722 258 HD23 LEU 45 HD23 LEU 45 4.329 -21.127 6.090 259 H ILE 46 H ILE 46 1.440 -26.008 5.872 260 HA ILE 46 HA ILE 46 1.570 -26.748 8.623 261 HB ILE 46 HB ILE 46 0.427 -28.332 6.289 262 HG12 ILE 46 HG12 ILE 46 -0.899 -26.464 8.272 263 HG13 ILE 46 HG11 ILE 46 -0.619 -26.143 6.567 264 HG21 ILE 46 HG21 ILE 46 -0.024 -28.683 9.262 265 HG22 ILE 46 HG22 ILE 46 0.871 -29.784 8.216 266 HG23 ILE 46 HG23 ILE 46 -0.865 -29.566 7.987 267 HD11 ILE 46 HD11 ILE 46 -2.936 -26.735 6.991 268 HD12 ILE 46 HD12 ILE 46 -2.431 -28.273 7.693 269 HD13 ILE 46 HD13 ILE 46 -2.159 -27.952 5.979 270 H GLN 47 H GLN 47 2.961 -27.984 5.720 271 HA GLN 47 HA GLN 47 4.370 -30.139 6.964 272 HB2 GLN 47 HB2 GLN 47 4.247 -28.894 4.340 273 HB3 GLN 47 HB3 GLN 47 5.616 -29.932 4.505 274 HG2 GLN 47 HG2 GLN 47 3.868 -31.710 5.194 275 HG3 GLN 47 HG3 GLN 47 2.671 -30.550 4.617 276 HE21 GLN 47 HE21 GLN 47 5.253 -32.677 3.716 277 HE22 GLN 47 HE22 GLN 47 4.929 -32.653 2.016 278 H ALA 48 H ALA 48 4.856 -26.835 6.951 279 HA ALA 48 HA ALA 48 7.744 -27.058 7.316 280 HB1 ALA 48 HB1 ALA 48 6.028 -24.576 7.057 281 HB2 ALA 48 HB2 ALA 48 6.950 -25.320 5.757 282 HB3 ALA 48 HB3 ALA 48 7.789 -24.620 7.141 283 H GLY 49 H GLY 49 5.050 -27.326 9.183 284 HA2 GLY 49 HA2 GLY 49 5.569 -27.742 11.549 285 HA3 GLY 49 HA3 GLY 49 6.539 -26.284 11.511 286 H LEU 50 H LEU 50 3.772 -25.662 9.780 287 HA LEU 50 HA LEU 50 2.561 -24.180 12.025 288 HB2 LEU 50 HB2 LEU 50 2.858 -23.353 9.566 289 HB3 LEU 50 HB3 LEU 50 1.517 -24.417 9.211 290 HG LEU 50 HG LEU 50 0.258 -23.099 11.033 291 HD11 LEU 50 HD11 LEU 50 1.019 -20.808 11.351 292 HD12 LEU 50 HD12 LEU 50 2.463 -21.158 10.409 293 HD13 LEU 50 HD13 LEU 50 2.206 -21.973 11.949 294 HD21 LEU 50 HD21 LEU 50 -0.265 -22.978 8.646 295 HD22 LEU 50 HD22 LEU 50 0.993 -21.759 8.430 296 HD23 LEU 50 HD23 LEU 50 -0.421 -21.401 9.417 297 H ASP 51 H ASP 51 1.281 -25.274 13.352 298 HA ASP 51 HA ASP 51 -0.081 -27.626 12.556 299 HB2 ASP 51 HB2 ASP 51 -1.077 -27.371 14.864 300 HB3 ASP 51 HB3 ASP 51 0.684 -27.436 14.832 301 HA 4HH 52 HA 4HH 52 -3.591 -25.562 11.508 302 H 4HH 52 H 4HH 52 -2.633 -27.375 13.567 303 HB3 4HH 52 HB3 4HH 52 -4.313 -27.927 11.212 304 HB2 4HH 52 HB2 4HH 52 -5.651 -26.830 11.533 305 HJ3 4HH 52 HJ3 4HH 52 -8.223 -27.426 14.347 306 HJ2 4HH 52 HJ2 4HH 52 -8.921 -28.860 13.634 307 HL13 4HH 52 HL13 4HH 52 -9.441 -27.160 10.848 308 HL12 4HH 52 HL12 4HH 52 -10.304 -28.550 11.461 309 HL11 4HH 52 HL11 4HH 52 -11.114 -26.960 11.213 310 HL21 4HH 52 HL21 4HH 52 -8.747 -25.477 12.091 311 HL23 4HH 52 HL23 4HH 52 -10.265 -24.922 12.621 312 HL22 4HH 52 HL22 4HH 52 -8.940 -25.241 13.803 313 HL3 4HH 52 HL3 4HH 52 -11.107 -28.401 14.057 314 HM 4HH 52 HM 4HH 52 -11.532 -26.865 15.757 315 HN 4HH 52 HN 4HH 52 -12.986 -26.811 11.738 316 HO2 4HH 52 HO2 4HH 52 -11.959 -24.312 12.507 317 HO3 4HH 52 HO3 4HH 52 -13.568 -24.474 13.234 318 HP3 4HH 52 HP3 4HH 52 -12.976 -24.647 10.305 319 HP2 4HH 52 HP2 4HH 52 -14.555 -24.910 11.021 320 HS2 4HH 52 HS2 4HH 52 -14.329 -21.133 13.046 321 HS3 4HH 52 HS3 4HH 52 -13.117 -22.299 13.664 322 HT3 4HH 52 HT3 4HH 52 -11.389 -20.704 13.143 323 HT2 4HH 52 HT2 4HH 52 -12.582 -20.018 14.250 324 HR 4HH 52 HR 4HH 52 -12.351 -21.678 11.100 325 HU 4HH 52 HU 4HH 52 -11.866 -17.990 12.553 326 H ILE 53 H ILE 53 -3.093 -25.636 14.629 327 HA ILE 53 HA ILE 53 -5.416 -24.090 15.350 328 HB ILE 53 HB ILE 53 -2.886 -24.739 16.851 329 HG12 ILE 53 HG12 ILE 53 -4.305 -26.668 16.610 330 HG13 ILE 53 HG11 ILE 53 -4.435 -26.109 18.273 331 HG21 ILE 53 HG21 ILE 53 -5.335 -23.239 17.868 332 HG22 ILE 53 HG22 ILE 53 -3.746 -22.539 17.607 333 HG23 ILE 53 HG23 ILE 53 -3.976 -23.749 18.871 334 HD11 ILE 53 HD11 ILE 53 -6.624 -26.772 17.434 335 HD12 ILE 53 HD12 ILE 53 -6.486 -25.673 16.078 336 HD13 ILE 53 HD13 ILE 53 -6.607 -25.033 17.709 337 H ARG 54 H ARG 54 -1.986 -23.662 14.743 338 HA ARG 54 HA ARG 54 -1.949 -20.872 14.780 339 HB2 ARG 54 HB2 ARG 54 -0.349 -22.940 13.438 340 HB3 ARG 54 HB3 ARG 54 -0.092 -21.226 13.134 341 HG2 ARG 54 HG2 ARG 54 0.262 -20.872 15.492 342 HG3 ARG 54 HG3 ARG 54 0.050 -22.618 15.763 343 HD2 ARG 54 HD2 ARG 54 1.809 -23.114 14.298 344 HD3 ARG 54 HD3 ARG 54 1.825 -21.400 13.840 345 HE ARG 54 HE ARG 54 2.833 -20.846 15.863 346 HH11 ARG 54 HH11 ARG 54 2.458 -24.334 15.774 347 HH12 ARG 54 HH12 ARG 54 4.010 -24.715 16.345 348 HH21 ARG 54 HH21 ARG 54 5.004 -21.253 16.591 349 HH22 ARG 54 HH22 ARG 54 5.566 -22.841 16.876 350 H LEU 55 H LEU 55 -2.511 -23.186 12.160 351 HA LEU 55 HA LEU 55 -2.875 -21.490 9.943 352 HB2 LEU 55 HB2 LEU 55 -2.840 -24.075 10.134 353 HB3 LEU 55 HB3 LEU 55 -4.519 -23.947 10.586 354 HG LEU 55 HG LEU 55 -4.489 -24.661 8.383 355 HD11 LEU 55 HD11 LEU 55 -5.066 -21.755 8.211 356 HD12 LEU 55 HD12 LEU 55 -6.176 -23.064 8.639 357 HD13 LEU 55 HD13 LEU 55 -5.505 -22.974 7.011 358 HD21 LEU 55 HD21 LEU 55 -2.235 -24.255 7.782 359 HD22 LEU 55 HD22 LEU 55 -2.536 -22.508 7.696 360 HD23 LEU 55 HD23 LEU 55 -3.346 -23.624 6.565 361 H MET 56 H MET 56 -5.361 -22.766 12.168 362 HA MET 56 HA MET 56 -7.423 -21.142 11.128 363 HB2 MET 56 HB2 MET 56 -7.906 -23.161 12.356 364 HB3 MET 56 HB3 MET 56 -7.179 -22.470 13.798 365 HG2 MET 56 HG2 MET 56 -8.986 -20.565 13.346 366 HG3 MET 56 HG3 MET 56 -9.801 -21.893 12.522 367 HE1 MET 56 HE1 MET 56 -8.503 -21.820 16.890 368 HE2 MET 56 HE2 MET 56 -7.879 -20.820 15.524 369 HE3 MET 56 HE3 MET 56 -7.495 -22.532 15.636 370 H ARG 57 H ARG 57 -5.099 -20.623 13.699 371 HA ARG 57 HA ARG 57 -6.416 -18.457 14.760 372 HB2 ARG 57 HB2 ARG 57 -4.509 -19.635 15.880 373 HB3 ARG 57 HB3 ARG 57 -3.476 -18.852 14.696 374 HG2 ARG 57 HG2 ARG 57 -3.367 -17.722 16.851 375 HG3 ARG 57 HG3 ARG 57 -4.010 -16.674 15.578 376 HD2 ARG 57 HD2 ARG 57 -6.242 -17.208 16.260 377 HD3 ARG 57 HD3 ARG 57 -5.598 -18.265 17.522 378 HE ARG 57 HE ARG 57 -4.454 -15.951 18.139 379 HH11 ARG 57 HH11 ARG 57 -7.857 -16.594 17.343 380 HH12 ARG 57 HH12 ARG 57 -8.503 -15.383 18.334 381 HH21 ARG 57 HH21 ARG 57 -5.340 -14.234 19.552 382 HH22 ARG 57 HH22 ARG 57 -7.016 -13.993 19.638 383 H TRP 58 H TRP 58 -4.285 -18.877 12.040 384 HA TRP 58 HA TRP 58 -3.823 -16.185 11.433 385 HB2 TRP 58 HB2 TRP 58 -3.532 -18.744 9.975 386 HB3 TRP 58 HB3 TRP 58 -3.412 -17.285 9.023 387 HD1 TRP 58 HD1 TRP 58 -1.224 -19.606 10.465 388 HE1 TRP 58 HE1 TRP 58 1.021 -18.564 11.227 389 HE3 TRP 58 HE3 TRP 58 -2.606 -14.695 10.524 390 HZ2 TRP 58 HZ2 TRP 58 2.077 -15.883 11.744 391 HZ3 TRP 58 HZ3 TRP 58 -0.968 -12.987 11.150 392 HH2 TRP 58 HH2 TRP 58 1.303 -13.575 11.748 393 H LEU 59 H LEU 59 -6.482 -18.320 10.654 394 HA LEU 59 HA LEU 59 -7.709 -16.577 8.759 395 HB2 LEU 59 HB2 LEU 59 -8.432 -18.911 9.063 396 HB3 LEU 59 HB3 LEU 59 -9.093 -18.484 10.633 397 HG LEU 59 HG LEU 59 -10.660 -16.927 9.578 398 HD11 LEU 59 HD11 LEU 59 -9.472 -17.938 6.997 399 HD12 LEU 59 HD12 LEU 59 -9.394 -16.282 7.620 400 HD13 LEU 59 HD13 LEU 59 -10.940 -16.974 7.140 401 HD21 LEU 59 HD21 LEU 59 -10.609 -19.579 8.321 402 HD22 LEU 59 HD22 LEU 59 -12.051 -18.551 8.535 403 HD23 LEU 59 HD23 LEU 59 -11.217 -19.254 9.952 404 H HIS 60 H HIS 60 -7.542 -16.666 12.152 405 HA HIS 60 HA HIS 60 -9.574 -14.753 12.680 406 HB2 HIS 60 HB2 HIS 60 -7.285 -15.799 14.325 407 HB3 HIS 60 HB3 HIS 60 -8.394 -14.567 14.924 408 HD1 HIS 60 HD1 HIS 60 -8.138 -18.256 14.382 409 HD2 HIS 60 HD2 HIS 60 -11.004 -15.388 15.082 410 HE1 HIS 60 HE1 HIS 60 -10.100 -19.502 15.333 411 H TRP 61 H TRP 61 -6.381 -14.568 11.566 412 HA TRP 61 HA TRP 61 -6.147 -11.776 12.174 413 HB2 TRP 61 HB2 TRP 61 -4.140 -13.238 12.099 414 HB3 TRP 61 HB3 TRP 61 -4.470 -13.574 10.408 415 HD1 TRP 61 HD1 TRP 61 -3.659 -10.466 12.609 416 HE1 TRP 61 HE1 TRP 61 -2.126 -8.905 11.196 417 HE3 TRP 61 HE3 TRP 61 -3.563 -13.090 8.222 418 HZ2 TRP 61 HZ2 TRP 61 -1.049 -8.809 8.635 419 HZ3 TRP 61 HZ3 TRP 61 -2.249 -12.190 6.350 420 HH2 TRP 61 HH2 TRP 61 -1.015 -10.087 6.569 421 H PHE 62 H PHE 62 -6.519 -13.822 9.304 422 HA PHE 62 HA PHE 62 -6.856 -11.862 7.375 423 HB2 PHE 62 HB2 PHE 62 -8.031 -14.633 7.467 424 HB3 PHE 62 HB3 PHE 62 -8.156 -13.590 6.060 425 HD1 PHE 62 HD2 PHE 62 -5.725 -12.513 5.462 426 HD2 PHE 62 HD1 PHE 62 -6.437 -16.259 7.333 427 HE1 PHE 62 HE2 PHE 62 -3.547 -13.325 4.682 428 HE2 PHE 62 HE1 PHE 62 -4.266 -17.068 6.557 429 HZ PHE 62 HZ PHE 62 -2.816 -15.600 5.227 430 H ARG 63 H ARG 63 -9.540 -13.569 9.020 431 HA ARG 63 HA ARG 63 -11.576 -12.075 7.750 432 HB2 ARG 63 HB2 ARG 63 -11.578 -13.696 10.240 433 HB3 ARG 63 HB3 ARG 63 -13.012 -12.877 9.625 434 HG2 ARG 63 HG2 ARG 63 -12.570 -14.070 7.433 435 HG3 ARG 63 HG3 ARG 63 -11.425 -15.067 8.340 436 HD2 ARG 63 HD2 ARG 63 -13.160 -15.683 9.882 437 HD3 ARG 63 HD3 ARG 63 -14.220 -14.549 9.013 438 HE ARG 63 HE ARG 63 -13.509 -16.225 7.054 439 HH11 ARG 63 HH11 ARG 63 -14.664 -17.077 10.287 440 HH12 ARG 63 HH12 ARG 63 -15.627 -18.378 9.784 441 HH21 ARG 63 HH21 ARG 63 -14.860 -17.999 6.311 442 HH22 ARG 63 HH22 ARG 63 -15.752 -18.912 7.426 443 H LYS 64 H LYS 64 -9.632 -11.417 10.442 444 HA LYS 64 HA LYS 64 -11.298 -9.365 11.620 445 HB2 LYS 64 HB2 LYS 64 -9.748 -10.905 12.852 446 HB3 LYS 64 HB3 LYS 64 -8.441 -10.108 12.025 447 HG2 LYS 64 HG2 LYS 64 -9.066 -7.987 13.090 448 HG3 LYS 64 HG3 LYS 64 -10.294 -8.857 14.017 449 HD2 LYS 64 HD2 LYS 64 -8.231 -8.600 15.315 450 HD3 LYS 64 HD3 LYS 64 -8.601 -10.296 14.954 451 HE2 LYS 64 HE2 LYS 64 -6.160 -9.593 14.646 452 HE3 LYS 64 HE3 LYS 64 -6.919 -10.456 13.319 453 HZ1 LYS 64 HZ1 LYS 64 -5.596 -8.546 12.543 454 HZ2 LYS 64 HZ2 LYS 64 -6.585 -7.469 13.397 455 HZ3 LYS 64 HZ3 LYS 64 -7.191 -8.381 12.129 456 H ASN 65 H ASN 65 -8.957 -9.639 9.130 457 HA ASN 65 HA ASN 65 -8.328 -6.790 9.135 458 HB2 ASN 65 HB2 ASN 65 -7.147 -9.175 7.707 459 HB3 ASN 65 HB3 ASN 65 -6.826 -7.544 7.138 460 HD21 ASN 65 HD21 ASN 65 -4.576 -7.931 7.525 461 HD22 ASN 65 HD22 ASN 65 -3.928 -7.855 9.075 462 H GLY 66 H GLY 66 -10.768 -8.593 8.173 463 HA2 GLY 66 HA2 GLY 66 -12.543 -7.627 6.917 464 HA3 GLY 66 HA3 GLY 66 -11.351 -6.785 5.943 465 H TYR 67 H TYR 67 -10.154 -9.798 6.199 466 HA TYR 67 HA TYR 67 -10.938 -10.372 3.505 467 HB2 TYR 67 HB2 TYR 67 -9.212 -11.933 5.407 468 HB3 TYR 67 HB3 TYR 67 -9.493 -12.385 3.726 469 HD1 TYR 67 HD2 TYR 67 -8.643 -10.983 1.935 470 HD2 TYR 67 HD1 TYR 67 -7.746 -10.179 5.985 471 HE1 TYR 67 HE2 TYR 67 -6.846 -9.530 1.219 472 HE2 TYR 67 HE1 TYR 67 -5.914 -8.701 5.304 473 HH TYR 67 HH TYR 67 -4.565 -8.251 3.551 474 H ARG 68 H ARG 68 -12.952 -10.885 3.334 475 HA ARG 68 HA ARG 68 -14.099 -12.885 5.036 476 HB2 ARG 68 HB2 ARG 68 -15.317 -11.532 2.605 477 HB3 ARG 68 HB3 ARG 68 -16.170 -12.566 3.750 478 HG2 ARG 68 HG2 ARG 68 -15.696 -10.967 5.522 479 HG3 ARG 68 HG3 ARG 68 -14.867 -9.937 4.351 480 HD2 ARG 68 HD2 ARG 68 -17.773 -10.730 4.298 481 HD3 ARG 68 HD3 ARG 68 -17.148 -9.148 4.764 482 HE ARG 68 HE ARG 68 -17.049 -10.299 2.051 483 HH11 ARG 68 HH11 ARG 68 -16.875 -7.360 4.115 484 HH12 ARG 68 HH12 ARG 68 -17.056 -6.345 2.751 485 HH21 ARG 68 HH21 ARG 68 -17.373 -8.750 0.283 486 HH22 ARG 68 HH22 ARG 68 -17.445 -7.110 0.717 487 H LEU 69 H LEU 69 -12.615 -14.470 4.599 488 HA LEU 69 HA LEU 69 -13.441 -16.164 2.420 489 HB2 LEU 69 HB2 LEU 69 -11.050 -16.903 2.065 490 HB3 LEU 69 HB3 LEU 69 -11.377 -15.274 1.543 491 HG LEU 69 HG LEU 69 -10.315 -14.579 3.821 492 HD11 LEU 69 HD11 LEU 69 -8.622 -16.076 4.658 493 HD12 LEU 69 HD12 LEU 69 -9.127 -17.309 3.514 494 HD13 LEU 69 HD13 LEU 69 -10.225 -16.812 4.814 495 HD21 LEU 69 HD21 LEU 69 -9.314 -14.118 1.658 496 HD22 LEU 69 HD22 LEU 69 -8.638 -15.745 1.612 497 HD23 LEU 69 HD23 LEU 69 -8.086 -14.594 2.827 498 H THR 70 H THR 70 -12.297 -18.535 3.048 499 HA THR 70 HA THR 70 -13.073 -18.756 5.835 500 HB THR 70 HB THR 70 -13.957 -20.540 3.534 501 HG1 THR 70 HG1 THR 70 -15.458 -19.118 3.435 502 HG21 THR 70 HG21 THR 70 -15.437 -21.652 5.164 503 HG22 THR 70 HG22 THR 70 -14.755 -20.673 6.467 504 HG23 THR 70 HG23 THR 70 -13.749 -21.857 5.629 505 H LEU 71 H LEU 71 -12.482 -20.947 6.763 506 HA LEU 71 HA LEU 71 -9.651 -21.139 6.795 507 HB2 LEU 71 HB2 LEU 71 -11.257 -21.363 8.731 508 HB3 LEU 71 HB3 LEU 71 -11.693 -22.914 8.073 509 HG LEU 71 HG LEU 71 -9.363 -23.666 8.360 510 HD11 LEU 71 HD11 LEU 71 -7.903 -22.434 9.803 511 HD12 LEU 71 HD12 LEU 71 -9.041 -21.105 9.892 512 HD13 LEU 71 HD13 LEU 71 -8.239 -21.487 8.351 513 HD21 LEU 71 HD21 LEU 71 -10.826 -22.681 10.780 514 HD22 LEU 71 HD22 LEU 71 -9.494 -23.832 10.796 515 HD23 LEU 71 HD23 LEU 71 -11.001 -24.245 9.977 516 H ARG 72 H ARG 72 -12.174 -22.868 5.179 517 HA ARG 72 HA ARG 72 -11.130 -25.478 5.055 518 HB2 ARG 72 HB2 ARG 72 -12.797 -24.039 3.042 519 HB3 ARG 72 HB3 ARG 72 -12.582 -25.775 3.137 520 HG2 ARG 72 HG2 ARG 72 -13.774 -25.873 5.186 521 HG3 ARG 72 HG3 ARG 72 -13.828 -24.106 5.294 522 HD2 ARG 72 HD2 ARG 72 -15.915 -24.853 4.461 523 HD3 ARG 72 HD3 ARG 72 -14.990 -24.058 3.171 524 HE ARG 72 HE ARG 72 -15.356 -26.959 3.446 525 HH11 ARG 72 HH11 ARG 72 -14.547 -24.174 1.288 526 HH12 ARG 72 HH12 ARG 72 -14.915 -24.975 -0.115 527 HH21 ARG 72 HH21 ARG 72 -15.833 -28.092 1.389 528 HH22 ARG 72 HH22 ARG 72 -15.647 -27.258 -0.086 529 H GLU 73 H GLU 73 -11.101 -22.733 2.952 530 HA GLU 73 HA GLU 73 -9.707 -23.729 0.781 531 HB2 GLU 73 HB2 GLU 73 -10.095 -20.899 1.782 532 HB3 GLU 73 HB3 GLU 73 -9.520 -21.323 0.183 533 HG2 GLU 73 HG2 GLU 73 -11.888 -20.663 0.133 534 HG3 GLU 73 HG3 GLU 73 -11.703 -22.344 -0.346 535 H LEU 74 H LEU 74 -8.694 -22.170 3.760 536 HA LEU 74 HA LEU 74 -6.021 -21.726 2.931 537 HB2 LEU 74 HB2 LEU 74 -7.010 -22.012 5.764 538 HB3 LEU 74 HB3 LEU 74 -5.452 -21.390 5.287 539 HG LEU 74 HG LEU 74 -8.137 -20.121 5.071 540 HD11 LEU 74 HD11 LEU 74 -7.053 -18.344 6.311 541 HD12 LEU 74 HD12 LEU 74 -5.535 -19.226 6.194 542 HD13 LEU 74 HD13 LEU 74 -6.866 -19.898 7.156 543 HD21 LEU 74 HD21 LEU 74 -5.600 -19.202 3.764 544 HD22 LEU 74 HD22 LEU 74 -7.092 -18.256 3.922 545 HD23 LEU 74 HD23 LEU 74 -7.077 -19.725 2.936 546 H TYR 75 H TYR 75 -7.703 -24.340 4.578 547 HA TYR 75 HA TYR 75 -5.334 -25.841 5.146 548 HB2 TYR 75 HB2 TYR 75 -8.268 -26.493 5.347 549 HB3 TYR 75 HB3 TYR 75 -7.053 -27.797 5.453 550 HD1 TYR 75 HD2 TYR 75 -5.129 -26.905 7.051 551 HD2 TYR 75 HD1 TYR 75 -9.206 -25.936 7.058 552 HE1 TYR 75 HE2 TYR 75 -4.993 -26.416 9.466 553 HE2 TYR 75 HE1 TYR 75 -9.131 -25.448 9.424 554 HH TYR 75 HH TYR 75 -7.514 -26.235 11.387 555 H ALA 76 H ALA 76 -7.558 -25.661 2.513 556 HA ALA 76 HA ALA 76 -6.732 -28.038 1.315 557 HB1 ALA 76 HB1 ALA 76 -8.876 -27.014 0.757 558 HB2 ALA 76 HB2 ALA 76 -7.912 -27.250 -0.703 559 HB3 ALA 76 HB3 ALA 76 -8.043 -25.645 0.018 560 H ALA 77 H ALA 77 -5.696 -24.698 1.038 561 HA ALA 77 HA ALA 77 -3.298 -25.655 -0.314 562 HB1 ALA 77 HB1 ALA 77 -4.764 -23.112 -1.038 563 HB2 ALA 77 HB2 ALA 77 -4.717 -24.579 -2.015 564 HB3 ALA 77 HB3 ALA 77 -3.238 -23.659 -1.731 565 HA PRO 78 HA PRO 78 -2.245 -23.061 3.265 566 HB2 PRO 78 HB2 PRO 78 -0.718 -24.944 4.575 567 HB3 PRO 78 HB3 PRO 78 -2.458 -24.719 4.836 568 HG2 PRO 78 HG2 PRO 78 -1.148 -26.964 3.641 569 HG3 PRO 78 HG3 PRO 78 -2.873 -26.731 3.958 570 HD2 PRO 78 HD2 PRO 78 -1.405 -26.424 1.439 571 HD3 PRO 78 HD3 PRO 78 -3.148 -26.614 1.719 572 H THR 79 H THR 79 -1.017 -21.919 1.740 573 HA THR 79 HA THR 79 1.839 -22.318 2.003 574 HB THR 79 HB THR 79 2.154 -21.818 -0.437 575 HG1 THR 79 HG1 THR 79 -0.582 -22.481 -0.680 576 HG21 THR 79 HG21 THR 79 0.542 -24.301 0.070 577 HG22 THR 79 HG22 THR 79 2.296 -24.150 0.293 578 HG23 THR 79 HG23 THR 79 1.594 -24.033 -1.331 579 H LEU 80 H LEU 80 2.881 -20.305 1.602 580 HA LEU 80 HA LEU 80 1.281 -18.069 2.373 581 HB2 LEU 80 HB2 LEU 80 4.035 -18.777 2.273 582 HB3 LEU 80 HB3 LEU 80 3.810 -17.247 1.448 583 HG LEU 80 HG LEU 80 2.698 -17.716 4.184 584 HD11 LEU 80 HD11 LEU 80 5.043 -18.165 4.328 585 HD12 LEU 80 HD12 LEU 80 4.697 -16.591 5.030 586 HD13 LEU 80 HD13 LEU 80 5.433 -16.710 3.417 587 HD21 LEU 80 HD21 LEU 80 1.820 -15.838 2.910 588 HD22 LEU 80 HD22 LEU 80 3.459 -15.245 2.644 589 HD23 LEU 80 HD23 LEU 80 2.789 -15.284 4.274 590 H ALA 81 H ALA 81 2.553 -19.303 -0.605 591 HA ALA 81 HA ALA 81 2.121 -17.064 -2.241 592 HB1 ALA 81 HB1 ALA 81 2.259 -18.615 -4.107 593 HB2 ALA 81 HB2 ALA 81 2.003 -19.974 -3.017 594 HB3 ALA 81 HB3 ALA 81 3.480 -19.023 -2.897 595 H ALA 82 H ALA 82 0.027 -19.901 -1.583 596 HA ALA 82 HA ALA 82 -2.058 -18.938 -3.234 597 HB1 ALA 82 HB1 ALA 82 -2.282 -20.891 -0.947 598 HB2 ALA 82 HB2 ALA 82 -1.932 -21.307 -2.631 599 HB3 ALA 82 HB3 ALA 82 -3.488 -20.593 -2.198 600 H TRP 83 H TRP 83 -1.361 -18.627 0.195 601 HA TRP 83 HA TRP 83 -3.767 -17.332 0.850 602 HB2 TRP 83 HB2 TRP 83 -1.057 -17.292 2.156 603 HB3 TRP 83 HB3 TRP 83 -2.447 -16.446 2.823 604 HD1 TRP 83 HD1 TRP 83 -3.491 -19.732 1.350 605 HE1 TRP 83 HE1 TRP 83 -3.828 -21.452 3.170 606 HE3 TRP 83 HE3 TRP 83 -1.397 -17.158 5.108 607 HZ2 TRP 83 HZ2 TRP 83 -3.375 -21.636 5.939 608 HZ3 TRP 83 HZ3 TRP 83 -1.371 -18.152 7.407 609 HH2 TRP 83 HH2 TRP 83 -2.335 -20.358 7.799 610 H ASN 84 H ASN 84 -0.582 -16.020 0.105 611 HA ASN 84 HA ASN 84 -1.071 -13.315 -0.041 612 HB2 ASN 84 HB2 ASN 84 1.149 -14.228 -0.411 613 HB3 ASN 84 HB3 ASN 84 0.613 -15.093 -1.834 614 HD21 ASN 84 HD21 ASN 84 2.464 -14.140 -2.847 615 HD22 ASN 84 HD22 ASN 84 2.383 -12.538 -3.458 616 H GLN 85 H GLN 85 -1.638 -15.696 -2.605 617 HA GLN 85 HA GLN 85 -2.846 -13.975 -4.456 618 HB2 GLN 85 HB2 GLN 85 -2.058 -16.226 -5.058 619 HB3 GLN 85 HB3 GLN 85 -3.308 -16.946 -4.056 620 HG2 GLN 85 HG2 GLN 85 -3.946 -17.036 -6.392 621 HG3 GLN 85 HG3 GLN 85 -5.029 -15.965 -5.506 622 HE21 GLN 85 HE21 GLN 85 -5.652 -14.760 -7.280 623 HE22 GLN 85 HE22 GLN 85 -4.553 -13.726 -8.120 624 H LEU 86 H LEU 86 -4.302 -15.998 -1.916 625 HA LEU 86 HA LEU 86 -7.003 -15.456 -2.448 626 HB2 LEU 86 HB2 LEU 86 -5.795 -16.106 0.253 627 HB3 LEU 86 HB3 LEU 86 -7.473 -16.167 -0.183 628 HG LEU 86 HG LEU 86 -5.369 -17.935 -1.420 629 HD11 LEU 86 HD11 LEU 86 -6.325 -19.683 -0.061 630 HD12 LEU 86 HD12 LEU 86 -7.421 -18.494 0.667 631 HD13 LEU 86 HD13 LEU 86 -5.679 -18.373 0.943 632 HD21 LEU 86 HD21 LEU 86 -7.269 -19.228 -2.188 633 HD22 LEU 86 HD22 LEU 86 -7.297 -17.598 -2.881 634 HD23 LEU 86 HD23 LEU 86 -8.376 -18.024 -1.537 635 H MET 87 H MET 87 -4.602 -13.549 -0.882 636 HA MET 87 HA MET 87 -6.487 -11.926 0.613 637 HB2 MET 87 HB2 MET 87 -3.508 -11.582 0.166 638 HB3 MET 87 HB3 MET 87 -4.482 -10.585 1.236 639 HG2 MET 87 HG2 MET 87 -4.972 -12.514 2.623 640 HG3 MET 87 HG3 MET 87 -4.074 -13.551 1.521 641 HE1 MET 87 HE1 MET 87 -3.245 -9.937 2.911 642 HE2 MET 87 HE2 MET 87 -2.219 -10.363 4.279 643 HE3 MET 87 HE3 MET 87 -3.922 -10.819 4.279 644 H LEU 88 H LEU 88 -4.398 -11.697 -2.193 645 HA LEU 88 HA LEU 88 -4.991 -9.094 -2.934 646 HB2 LEU 88 HB2 LEU 88 -3.069 -9.934 -3.853 647 HB3 LEU 88 HB3 LEU 88 -3.734 -11.547 -4.037 648 HG LEU 88 HG LEU 88 -5.097 -10.714 -5.712 649 HD11 LEU 88 HD11 LEU 88 -3.226 -8.273 -5.589 650 HD12 LEU 88 HD12 LEU 88 -4.970 -8.256 -5.350 651 HD13 LEU 88 HD13 LEU 88 -4.306 -8.552 -6.959 652 HD21 LEU 88 HD21 LEU 88 -3.215 -12.018 -6.300 653 HD22 LEU 88 HD22 LEU 88 -2.128 -10.635 -6.175 654 HD23 LEU 88 HD23 LEU 88 -3.291 -10.725 -7.499 655 H SER 89 H SER 89 -6.367 -12.256 -3.657 656 HA SER 89 HA SER 89 -8.118 -11.269 -5.614 657 HB2 SER 89 HB2 SER 89 -8.208 -13.912 -4.136 658 HB3 SER 89 HB3 SER 89 -9.092 -13.541 -5.617 659 HG SER 89 HG SER 89 -6.290 -13.632 -5.243 660 H ARG 90 H ARG 90 -8.133 -10.588 -2.511 661 HA ARG 90 HA ARG 90 -11.026 -10.604 -2.276 662 HB2 ARG 90 HB2 ARG 90 -8.947 -10.672 -0.114 663 HB3 ARG 90 HB3 ARG 90 -10.611 -10.206 0.209 664 HG2 ARG 90 HG2 ARG 90 -9.798 -12.863 -0.985 665 HG3 ARG 90 HG3 ARG 90 -10.071 -12.572 0.733 666 HD2 ARG 90 HD2 ARG 90 -12.034 -13.588 -0.335 667 HD3 ARG 90 HD3 ARG 90 -12.356 -11.976 0.312 668 HE ARG 90 HE ARG 90 -11.735 -12.268 -2.536 669 HH11 ARG 90 HH11 ARG 90 -14.313 -11.826 -0.155 670 HH12 ARG 90 HH12 ARG 90 -15.189 -10.714 -1.128 671 HH21 ARG 90 HH21 ARG 90 -13.000 -10.769 -3.876 672 HH22 ARG 90 HH22 ARG 90 -14.416 -10.081 -3.199 673 H SER 91 H SER 91 -8.254 -8.633 -1.126 674 HA SER 91 HA SER 91 -8.105 -6.413 -0.776 675 HB2 SER 91 HB2 SER 91 -9.879 -6.397 -3.264 676 HB3 SER 91 HB3 SER 91 -8.968 -4.998 -2.691 677 HG SER 91 HG SER 91 -7.995 -7.453 -3.711 678 HA PRO 92 HA PRO 92 -11.859 -5.066 1.350 679 HB2 PRO 92 HB2 PRO 92 -12.126 -2.344 0.925 680 HB3 PRO 92 HB3 PRO 92 -10.957 -3.078 2.038 681 HG2 PRO 92 HG2 PRO 92 -10.405 -1.669 -0.374 682 HG3 PRO 92 HG3 PRO 92 -9.261 -2.414 0.754 683 HD2 PRO 92 HD2 PRO 92 -10.256 -3.430 -1.818 684 HD3 PRO 92 HD3 PRO 92 -8.795 -3.871 -0.908 685 H GLU 93 H GLU 93 -14.011 -5.305 1.122 686 HA GLU 93 HA GLU 93 -15.554 -3.936 -0.800 687 HB2 GLU 93 HB2 GLU 93 -16.579 -6.134 -1.640 688 HB3 GLU 93 HB3 GLU 93 -14.988 -5.765 -2.285 689 HG2 GLU 93 HG2 GLU 93 -13.957 -7.439 -1.033 690 HG3 GLU 93 HG3 GLU 93 -15.278 -7.515 0.124 Start of MODEL 7 1 H ASP 14 HT1 ASP 14 -2.255 -2.547 -9.269 2 HA ASP 14 HA ASP 14 -2.143 -4.918 -9.328 3 HB2 ASP 14 HB2 ASP 14 0.333 -5.179 -8.661 4 HB3 ASP 14 HB3 ASP 14 -0.033 -3.882 -9.802 5 H ASN 15 H ASN 15 -0.464 -4.299 -6.225 6 HA ASN 15 HA ASN 15 -1.684 -6.615 -5.073 7 HB2 ASN 15 HB2 ASN 15 0.677 -5.807 -4.631 8 HB3 ASN 15 HB3 ASN 15 0.007 -4.432 -3.747 9 HD21 ASN 15 HD21 ASN 15 1.864 -6.451 -2.908 10 HD22 ASN 15 HD22 ASN 15 1.143 -7.284 -1.576 11 H ARG 16 H ARG 16 -2.596 -6.124 -2.721 12 HA ARG 16 HA ARG 16 -4.276 -3.862 -2.396 13 HB2 ARG 16 HB2 ARG 16 -5.541 -5.113 -4.185 14 HB3 ARG 16 HB3 ARG 16 -5.494 -6.548 -3.201 15 HG2 ARG 16 HG2 ARG 16 -7.044 -5.441 -1.600 16 HG3 ARG 16 HG3 ARG 16 -7.115 -4.047 -2.692 17 HD2 ARG 16 HD2 ARG 16 -8.004 -5.403 -4.479 18 HD3 ARG 16 HD3 ARG 16 -7.759 -6.871 -3.551 19 HE ARG 16 HE ARG 16 -9.619 -4.860 -2.521 20 HH11 ARG 16 HH11 ARG 16 -9.160 -8.073 -4.056 21 HH12 ARG 16 HH12 ARG 16 -10.706 -8.632 -3.645 22 HH21 ARG 16 HH21 ARG 16 -11.851 -5.742 -1.961 23 HH22 ARG 16 HH22 ARG 16 -12.226 -7.303 -2.423 24 H HIS 17 H HIS 17 -5.653 -6.741 -1.133 25 HA HIS 17 HA HIS 17 -4.454 -6.059 1.359 26 HB2 HIS 17 HB2 HIS 17 -6.760 -7.694 0.622 27 HB3 HIS 17 HB3 HIS 17 -5.859 -8.242 2.034 28 HD1 HIS 17 HD1 HIS 17 -5.777 -6.671 4.089 29 HD2 HIS 17 HD2 HIS 17 -8.113 -5.288 0.937 30 HE1 HIS 17 HE1 HIS 17 -7.245 -4.834 5.042 31 H ALA 18 H ALA 18 -3.673 -8.170 -1.035 32 HA ALA 18 HA ALA 18 -2.158 -10.022 0.328 33 HB1 ALA 18 HB1 ALA 18 -1.433 -8.676 -2.271 34 HB2 ALA 18 HB2 ALA 18 -2.496 -10.089 -2.031 35 HB3 ALA 18 HB3 ALA 18 -0.776 -10.208 -1.658 36 H ALA 19 H ALA 19 -1.712 -6.656 0.221 37 HA ALA 19 HA ALA 19 0.973 -6.333 0.939 38 HB1 ALA 19 HB1 ALA 19 0.293 -4.216 1.784 39 HB2 ALA 19 HB2 ALA 19 -1.355 -4.793 2.039 40 HB3 ALA 19 HB3 ALA 19 -0.794 -4.533 0.402 41 H ASP 20 H ASP 20 -1.790 -7.473 2.869 42 HA ASP 20 HA ASP 20 -0.574 -7.393 5.433 43 HB2 ASP 20 HB2 ASP 20 -2.666 -9.319 4.345 44 HB3 ASP 20 HB3 ASP 20 -2.180 -9.268 6.021 45 H TYR 21 H TYR 21 -0.244 -9.437 2.715 46 HA TYR 21 HA TYR 21 0.749 -11.816 3.866 47 HB2 TYR 21 HB2 TYR 21 0.444 -12.393 1.699 48 HB3 TYR 21 HB3 TYR 21 0.523 -10.719 1.185 49 HD1 TYR 21 HD1 TYR 21 2.676 -9.759 0.411 50 HD2 TYR 21 HD2 TYR 21 2.362 -13.841 1.540 51 HE1 TYR 21 HE1 TYR 21 4.822 -10.230 -0.690 52 HE2 TYR 21 HE2 TYR 21 4.431 -14.344 0.477 53 HH TYR 21 HH TYR 21 5.849 -13.259 -1.461 54 H GLN 22 H GLN 22 2.216 -8.803 3.239 55 HA GLN 22 HA GLN 22 4.934 -9.445 3.344 56 HB2 GLN 22 HB2 GLN 22 4.042 -7.262 2.635 57 HB3 GLN 22 HB3 GLN 22 3.396 -6.980 4.224 58 HG2 GLN 22 HG2 GLN 22 5.414 -5.668 3.764 59 HG3 GLN 22 HG3 GLN 22 5.592 -6.767 5.140 60 HE21 GLN 22 HE21 GLN 22 7.123 -8.187 5.119 61 HE22 GLN 22 HE22 GLN 22 8.263 -8.473 3.839 62 H GLN 23 H GLN 23 2.787 -8.220 5.863 63 HA GLN 23 HA GLN 23 4.584 -8.669 7.972 64 HB2 GLN 23 HB2 GLN 23 1.575 -8.364 8.074 65 HB3 GLN 23 HB3 GLN 23 2.579 -8.454 9.506 66 HG2 GLN 23 HG2 GLN 23 2.044 -6.187 9.093 67 HG3 GLN 23 HG3 GLN 23 3.756 -6.401 8.737 68 HE21 GLN 23 HE21 GLN 23 3.928 -4.708 7.351 69 HE22 GLN 23 HE22 GLN 23 3.132 -4.650 5.810 70 H LEU 24 H LEU 24 2.032 -10.612 6.603 71 HA LEU 24 HA LEU 24 1.775 -12.706 8.432 72 HB2 LEU 24 HB2 LEU 24 0.370 -12.502 6.436 73 HB3 LEU 24 HB3 LEU 24 1.753 -12.913 5.433 74 HG LEU 24 HG LEU 24 1.847 -15.020 6.944 75 HD11 LEU 24 HD11 LEU 24 -1.028 -14.309 7.235 76 HD12 LEU 24 HD12 LEU 24 0.187 -14.448 8.506 77 HD13 LEU 24 HD13 LEU 24 -0.310 -15.876 7.601 78 HD21 LEU 24 HD21 LEU 24 -0.121 -14.715 4.680 79 HD22 LEU 24 HD22 LEU 24 0.420 -16.238 5.416 80 HD23 LEU 24 HD23 LEU 24 1.584 -15.227 4.607 81 H ARG 25 H ARG 25 3.886 -12.623 5.546 82 HA ARG 25 HA ARG 25 4.950 -15.105 6.198 83 HB2 ARG 25 HB2 ARG 25 4.636 -14.155 3.880 84 HB3 ARG 25 HB3 ARG 25 6.040 -13.146 4.167 85 HG2 ARG 25 HG2 ARG 25 7.460 -15.011 4.349 86 HG3 ARG 25 HG3 ARG 25 6.049 -16.075 4.500 87 HD2 ARG 25 HD2 ARG 25 6.942 -16.400 2.252 88 HD3 ARG 25 HD3 ARG 25 5.418 -15.520 2.188 89 HE ARG 25 HE ARG 25 6.535 -13.585 1.584 90 HH11 ARG 25 HH11 ARG 25 8.866 -16.331 1.760 91 HH12 ARG 25 HH12 ARG 25 9.792 -15.798 0.471 92 HH21 ARG 25 HH21 ARG 25 7.750 -12.957 -0.293 93 HH22 ARG 25 HH22 ARG 25 9.148 -13.801 -0.775 94 H GLU 26 H GLU 26 5.980 -11.809 6.812 95 HA GLU 26 HA GLU 26 8.579 -12.292 7.709 96 HB2 GLU 26 HB2 GLU 26 6.532 -10.285 8.623 97 HB3 GLU 26 HB3 GLU 26 8.182 -10.305 9.222 98 HG2 GLU 26 HG2 GLU 26 9.029 -9.883 7.013 99 HG3 GLU 26 HG3 GLU 26 7.402 -9.996 6.339 100 H ARG 27 H ARG 27 5.526 -12.369 9.593 101 HA ARG 27 HA ARG 27 6.861 -13.145 11.967 102 HB2 ARG 27 HB2 ARG 27 4.750 -12.049 12.147 103 HB3 ARG 27 HB3 ARG 27 3.957 -13.350 11.256 104 HG2 ARG 27 HG2 ARG 27 4.338 -14.900 12.956 105 HG3 ARG 27 HG3 ARG 27 5.484 -13.842 13.773 106 HD2 ARG 27 HD2 ARG 27 3.814 -12.393 14.421 107 HD3 ARG 27 HD3 ARG 27 2.630 -13.179 13.365 108 HE ARG 27 HE ARG 27 3.390 -15.203 14.983 109 HH11 ARG 27 HH11 ARG 27 2.260 -11.976 15.839 110 HH12 ARG 27 HH12 ARG 27 1.641 -12.446 17.359 111 HH21 ARG 27 HH21 ARG 27 2.618 -15.851 16.867 112 HH22 ARG 27 HH22 ARG 27 1.859 -14.819 18.026 113 H LEU 28 H LEU 28 5.466 -14.928 9.329 114 HA LEU 28 HA LEU 28 5.381 -17.424 10.659 115 HB2 LEU 28 HB2 LEU 28 5.550 -16.738 7.739 116 HB3 LEU 28 HB3 LEU 28 5.421 -18.382 8.327 117 HG LEU 28 HG LEU 28 3.363 -16.256 8.900 118 HD11 LEU 28 HD11 LEU 28 3.401 -18.430 6.827 119 HD12 LEU 28 HD12 LEU 28 3.519 -16.697 6.518 120 HD13 LEU 28 HD13 LEU 28 2.039 -17.375 7.198 121 HD21 LEU 28 HD21 LEU 28 3.393 -18.089 10.493 122 HD22 LEU 28 HD22 LEU 28 3.362 -19.246 9.155 123 HD23 LEU 28 HD23 LEU 28 1.988 -18.174 9.424 124 H ILE 29 H ILE 29 7.796 -15.867 8.673 125 HA ILE 29 HA ILE 29 9.779 -17.770 8.547 126 HB ILE 29 HB ILE 29 9.799 -14.777 8.810 127 HG12 ILE 29 HG12 ILE 29 10.575 -16.571 6.506 128 HG13 ILE 29 HG11 ILE 29 8.997 -15.825 6.720 129 HG21 ILE 29 HG21 ILE 29 11.811 -15.419 9.858 130 HG22 ILE 29 HG22 ILE 29 12.176 -14.706 8.279 131 HG23 ILE 29 HG23 ILE 29 12.261 -16.465 8.507 132 HD11 ILE 29 HD11 ILE 29 10.335 -14.598 5.119 133 HD12 ILE 29 HD12 ILE 29 11.606 -14.386 6.322 134 HD13 ILE 29 HD13 ILE 29 10.037 -13.614 6.553 135 H GLN 30 H GLN 30 8.983 -15.604 11.167 136 HA GLN 30 HA GLN 30 11.195 -16.413 12.812 137 HB2 GLN 30 HB2 GLN 30 8.771 -14.748 13.451 138 HB3 GLN 30 HB3 GLN 30 10.242 -14.862 14.418 139 HG2 GLN 30 HG2 GLN 30 11.516 -13.787 12.691 140 HG3 GLN 30 HG3 GLN 30 10.137 -13.823 11.597 141 HE21 GLN 30 HE21 GLN 30 10.076 -11.640 11.314 142 HE22 GLN 30 HE22 GLN 30 9.605 -10.533 12.555 143 H GLU 31 H GLU 31 7.691 -16.959 12.747 144 HA GLU 31 HA GLU 31 7.682 -18.313 15.273 145 HB2 GLU 31 HB2 GLU 31 5.774 -16.915 14.180 146 HB3 GLU 31 HB3 GLU 31 5.412 -18.396 13.328 147 HG2 GLU 31 HG2 GLU 31 5.133 -19.596 15.421 148 HG3 GLU 31 HG3 GLU 31 5.484 -18.125 16.324 149 H LEU 32 H LEU 32 7.960 -19.373 11.950 150 HA LEU 32 HA LEU 32 7.437 -22.181 12.626 151 HB2 LEU 32 HB2 LEU 32 8.503 -21.008 10.071 152 HB3 LEU 32 HB3 LEU 32 7.925 -22.635 10.308 153 HG LEU 32 HG LEU 32 6.233 -20.136 10.317 154 HD11 LEU 32 HD11 LEU 32 6.512 -22.354 8.341 155 HD12 LEU 32 HD12 LEU 32 7.228 -20.754 8.203 156 HD13 LEU 32 HD13 LEU 32 5.455 -20.937 8.175 157 HD21 LEU 32 HD21 LEU 32 5.216 -21.852 11.744 158 HD22 LEU 32 HD22 LEU 32 5.436 -23.049 10.462 159 HD23 LEU 32 HD23 LEU 32 4.332 -21.698 10.217 160 H ASN 33 H ASN 33 9.911 -19.993 12.818 161 HA ASN 33 HA ASN 33 12.130 -20.020 13.076 162 HB2 ASN 33 HB2 ASN 33 11.628 -21.808 14.767 163 HB3 ASN 33 HB3 ASN 33 11.822 -23.012 13.510 164 HD21 ASN 33 HD21 ASN 33 13.897 -23.429 12.735 165 HD22 ASN 33 HD22 ASN 33 15.336 -22.978 13.607 166 H LEU 34 H LEU 34 11.835 -19.499 10.795 167 HA LEU 34 HA LEU 34 13.468 -21.226 9.125 168 HB2 LEU 34 HB2 LEU 34 10.719 -20.154 8.434 169 HB3 LEU 34 HB3 LEU 34 11.872 -20.579 7.188 170 HG LEU 34 HG LEU 34 10.646 -22.427 9.240 171 HD11 LEU 34 HD11 LEU 34 9.087 -21.743 7.521 172 HD12 LEU 34 HD12 LEU 34 9.564 -23.428 7.284 173 HD13 LEU 34 HD13 LEU 34 10.255 -22.165 6.269 174 HD21 LEU 34 HD21 LEU 34 11.740 -24.228 7.960 175 HD22 LEU 34 HD22 LEU 34 12.908 -23.154 8.720 176 HD23 LEU 34 HD23 LEU 34 12.580 -23.014 6.994 177 H THR 35 H THR 35 13.647 -19.773 6.898 178 HA THR 35 HA THR 35 14.347 -17.071 7.773 179 HB THR 35 HB THR 35 16.320 -17.193 6.257 180 HG1 THR 35 HG1 THR 35 16.713 -19.687 5.833 181 HG21 THR 35 HG21 THR 35 17.722 -18.735 7.569 182 HG22 THR 35 HG22 THR 35 16.268 -19.471 8.243 183 HG23 THR 35 HG23 THR 35 16.661 -17.794 8.621 184 HA PRO 36 HA PRO 36 12.068 -15.657 4.170 185 HB2 PRO 36 HB2 PRO 36 14.509 -14.381 3.047 186 HB3 PRO 36 HB3 PRO 36 12.945 -13.643 3.448 187 HG2 PRO 36 HG2 PRO 36 15.040 -13.186 4.968 188 HG3 PRO 36 HG3 PRO 36 13.435 -13.434 5.683 189 HD2 PRO 36 HD2 PRO 36 15.741 -15.310 5.550 190 HD3 PRO 36 HD3 PRO 36 14.577 -15.042 6.864 191 H GLN 37 H GLN 37 15.088 -17.260 3.662 192 HA GLN 37 HA GLN 37 14.566 -17.774 0.853 193 HB2 GLN 37 HB2 GLN 37 16.836 -18.747 2.586 194 HB3 GLN 37 HB3 GLN 37 16.728 -18.897 0.840 195 HG2 GLN 37 HG2 GLN 37 17.006 -16.351 2.425 196 HG3 GLN 37 HG3 GLN 37 18.215 -17.113 1.394 197 HE21 GLN 37 HE21 GLN 37 17.973 -16.982 -0.851 198 HE22 GLN 37 HE22 GLN 37 16.911 -15.816 -1.568 199 H GLN 38 H GLN 38 14.416 -19.411 3.935 200 HA GLN 38 HA GLN 38 13.996 -21.981 2.699 201 HB2 GLN 38 HB2 GLN 38 13.717 -21.138 5.583 202 HB3 GLN 38 HB3 GLN 38 13.474 -22.777 5.003 203 HG2 GLN 38 HG2 GLN 38 16.032 -21.203 4.878 204 HG3 GLN 38 HG3 GLN 38 15.666 -22.512 5.996 205 HE21 GLN 38 HE21 GLN 38 14.317 -24.108 3.878 206 HE22 GLN 38 HE22 GLN 38 15.614 -24.696 2.901 207 H LEU 39 H LEU 39 12.044 -19.378 3.909 208 HA LEU 39 HA LEU 39 9.697 -21.056 3.517 209 HB2 LEU 39 HB2 LEU 39 10.127 -19.531 5.623 210 HB3 LEU 39 HB3 LEU 39 9.560 -18.251 4.575 211 HG LEU 39 HG LEU 39 8.037 -20.669 5.540 212 HD11 LEU 39 HD11 LEU 39 8.303 -18.956 7.186 213 HD12 LEU 39 HD12 LEU 39 6.630 -19.040 6.631 214 HD13 LEU 39 HD13 LEU 39 7.684 -17.743 6.062 215 HD21 LEU 39 HD21 LEU 39 6.082 -19.783 4.401 216 HD22 LEU 39 HD22 LEU 39 7.383 -20.149 3.255 217 HD23 LEU 39 HD23 LEU 39 7.070 -18.474 3.728 218 H HIS 40 H HIS 40 10.113 -21.008 1.293 219 HA HIS 40 HA HIS 40 9.566 -18.531 -0.049 220 HB2 HIS 40 HB2 HIS 40 9.753 -19.861 -2.203 221 HB3 HIS 40 HB3 HIS 40 11.185 -19.893 -1.200 222 HD1 HIS 40 HD1 HIS 40 9.394 -22.037 -3.318 223 HD2 HIS 40 HD2 HIS 40 11.129 -22.476 0.432 224 HE1 HIS 40 HE1 HIS 40 9.682 -24.512 -2.959 225 H GLU 41 H GLU 41 7.736 -18.706 -1.855 226 HA GLU 41 HA GLU 41 5.511 -18.892 -0.107 227 HB2 GLU 41 HB2 GLU 41 5.733 -18.026 -2.980 228 HB3 GLU 41 HB3 GLU 41 4.219 -18.022 -2.079 229 HG2 GLU 41 HG2 GLU 41 5.242 -16.513 -0.413 230 HG3 GLU 41 HG3 GLU 41 6.705 -16.485 -1.382 231 H GLU 42 H GLU 42 6.831 -20.895 -2.455 232 HA GLU 42 HA GLU 42 4.497 -22.534 -2.830 233 HB2 GLU 42 HB2 GLU 42 7.316 -23.413 -3.425 234 HB3 GLU 42 HB3 GLU 42 5.833 -23.898 -4.222 235 HG2 GLU 42 HG2 GLU 42 6.862 -22.530 -5.801 236 HG3 GLU 42 HG3 GLU 42 5.729 -21.428 -5.019 237 H SER 43 H SER 43 6.740 -22.249 -0.279 238 HA SER 43 HA SER 43 6.912 -24.920 0.570 239 HB2 SER 43 HB2 SER 43 6.827 -22.414 2.261 240 HB3 SER 43 HB3 SER 43 7.408 -23.994 2.779 241 HG SER 43 HG SER 43 8.809 -23.578 0.700 242 H ASN 44 H ASN 44 5.474 -26.226 1.508 243 HA ASN 44 HA ASN 44 2.756 -25.395 2.006 244 HB2 ASN 44 HB2 ASN 44 3.689 -27.943 1.515 245 HB3 ASN 44 HB3 ASN 44 4.028 -27.787 3.175 246 HD21 ASN 44 HD21 ASN 44 1.297 -27.798 1.002 247 HD22 ASN 44 HD22 ASN 44 0.153 -28.197 2.233 248 H LEU 45 H LEU 45 2.060 -24.594 3.951 249 HA LEU 45 HA LEU 45 4.150 -23.951 5.795 250 HB2 LEU 45 HB2 LEU 45 1.214 -23.440 6.081 251 HB3 LEU 45 HB3 LEU 45 2.478 -22.787 7.102 252 HG LEU 45 HG LEU 45 1.921 -22.206 4.243 253 HD11 LEU 45 HD11 LEU 45 0.532 -21.008 5.847 254 HD12 LEU 45 HD12 LEU 45 1.699 -19.871 5.151 255 HD13 LEU 45 HD13 LEU 45 1.971 -20.552 6.759 256 HD21 LEU 45 HD21 LEU 45 4.278 -21.271 5.897 257 HD22 LEU 45 HD22 LEU 45 3.856 -20.647 4.301 258 HD23 LEU 45 HD23 LEU 45 4.340 -22.328 4.487 259 H ILE 46 H ILE 46 1.510 -26.183 5.753 260 HA ILE 46 HA ILE 46 1.677 -26.932 8.486 261 HB ILE 46 HB ILE 46 0.728 -28.630 6.141 262 HG12 ILE 46 HG12 ILE 46 -0.796 -26.896 8.110 263 HG13 ILE 46 HG11 ILE 46 -0.583 -26.585 6.395 264 HG21 ILE 46 HG21 ILE 46 1.307 -30.040 8.056 265 HG22 ILE 46 HG22 ILE 46 -0.442 -30.002 7.825 266 HG23 ILE 46 HG23 ILE 46 0.299 -29.046 9.108 267 HD11 ILE 46 HD11 ILE 46 -2.124 -28.881 7.591 268 HD12 ILE 46 HD12 ILE 46 -1.914 -28.568 5.868 269 HD13 ILE 46 HD13 ILE 46 -2.811 -27.426 6.870 270 H GLN 47 H GLN 47 3.270 -28.059 5.620 271 HA GLN 47 HA GLN 47 4.839 -30.106 6.841 272 HB2 GLN 47 HB2 GLN 47 5.190 -28.581 4.283 273 HB3 GLN 47 HB3 GLN 47 6.153 -29.946 4.604 274 HG2 GLN 47 HG2 GLN 47 3.157 -29.978 4.306 275 HG3 GLN 47 HG3 GLN 47 4.331 -30.522 3.117 276 HE21 GLN 47 HE21 GLN 47 3.470 -32.590 3.046 277 HE22 GLN 47 HE22 GLN 47 3.657 -33.703 4.363 278 H ALA 48 H ALA 48 4.988 -26.767 7.013 279 HA ALA 48 HA ALA 48 7.849 -26.722 7.632 280 HB1 ALA 48 HB1 ALA 48 7.668 -24.282 7.412 281 HB2 ALA 48 HB2 ALA 48 5.944 -24.439 7.083 282 HB3 ALA 48 HB3 ALA 48 7.120 -25.097 5.948 283 H GLY 49 H GLY 49 5.112 -27.354 9.202 284 HA2 GLY 49 HA2 GLY 49 5.182 -27.637 11.572 285 HA3 GLY 49 HA3 GLY 49 6.211 -26.224 11.676 286 H LEU 50 H LEU 50 3.518 -25.748 9.635 287 HA LEU 50 HA LEU 50 2.210 -24.108 11.704 288 HB2 LEU 50 HB2 LEU 50 2.612 -23.352 9.270 289 HB3 LEU 50 HB3 LEU 50 1.328 -24.466 8.848 290 HG LEU 50 HG LEU 50 -0.029 -23.126 10.636 291 HD11 LEU 50 HD11 LEU 50 2.048 -21.118 9.834 292 HD12 LEU 50 HD12 LEU 50 1.874 -21.851 11.421 293 HD13 LEU 50 HD13 LEU 50 0.600 -20.796 10.790 294 HD21 LEU 50 HD21 LEU 50 0.612 -21.969 7.929 295 HD22 LEU 50 HD22 LEU 50 -0.807 -21.595 8.907 296 HD23 LEU 50 HD23 LEU 50 -0.582 -23.222 8.263 297 H ASP 51 H ASP 51 0.961 -25.183 12.991 298 HA ASP 51 HA ASP 51 -0.452 -27.531 12.274 299 HB2 ASP 51 HB2 ASP 51 -1.416 -27.183 14.595 300 HB3 ASP 51 HB3 ASP 51 0.341 -27.316 14.518 301 HA 4HH 52 HA 4HH 52 -4.174 -25.674 11.242 302 H 4HH 52 H 4HH 52 -2.961 -27.181 13.440 303 HB3 4HH 52 HB3 4HH 52 -4.809 -28.102 11.463 304 HB2 4HH 52 HB2 4HH 52 -6.182 -27.050 11.805 305 HJ3 4HH 52 HJ3 4HH 52 -7.366 -26.387 13.443 306 HJ2 4HH 52 HJ2 4HH 52 -7.990 -27.137 14.909 307 HL13 4HH 52 HL13 4HH 52 -9.122 -26.550 11.319 308 HL12 4HH 52 HL12 4HH 52 -9.474 -28.180 11.781 309 HL11 4HH 52 HL11 4HH 52 -10.755 -26.944 11.669 310 HL21 4HH 52 HL21 4HH 52 -8.963 -24.797 12.764 311 HL23 4HH 52 HL23 4HH 52 -10.569 -24.818 13.371 312 HL22 4HH 52 HL22 4HH 52 -9.153 -24.836 14.482 313 HL3 4HH 52 HL3 4HH 52 -10.291 -28.516 14.575 314 HM 4HH 52 HM 4HH 52 -11.061 -27.186 16.219 315 HN 4HH 52 HN 4HH 52 -12.700 -27.711 12.425 316 HO2 4HH 52 HO2 4HH 52 -12.040 -25.078 12.252 317 HO3 4HH 52 HO3 4HH 52 -13.342 -25.094 13.485 318 HP3 4HH 52 HP3 4HH 52 -13.579 -26.136 10.715 319 HP2 4HH 52 HP2 4HH 52 -14.862 -26.142 11.915 320 HS2 4HH 52 HS2 4HH 52 -14.229 -21.995 12.463 321 HS3 4HH 52 HS3 4HH 52 -12.625 -22.692 12.838 322 HT3 4HH 52 HT3 4HH 52 -11.657 -21.175 11.234 323 HT2 4HH 52 HT2 4HH 52 -12.754 -20.225 12.237 324 HR 4HH 52 HR 4HH 52 -12.996 -23.177 10.182 325 HU 4HH 52 HU 4HH 52 -14.822 -20.360 10.277 326 H ILE 53 H ILE 53 -3.385 -25.462 14.372 327 HA ILE 53 HA ILE 53 -5.645 -23.879 15.231 328 HB ILE 53 HB ILE 53 -3.001 -24.448 16.593 329 HG12 ILE 53 HG12 ILE 53 -4.342 -26.460 16.404 330 HG13 ILE 53 HG11 ILE 53 -4.348 -25.901 18.072 331 HG21 ILE 53 HG21 ILE 53 -4.033 -23.544 18.647 332 HG22 ILE 53 HG22 ILE 53 -5.464 -23.094 17.719 333 HG23 ILE 53 HG23 ILE 53 -3.917 -22.320 17.380 334 HD11 ILE 53 HD11 ILE 53 -6.591 -24.960 17.745 335 HD12 ILE 53 HD12 ILE 53 -6.546 -26.690 17.422 336 HD13 ILE 53 HD13 ILE 53 -6.592 -25.550 16.083 337 H ARG 54 H ARG 54 -2.201 -23.501 14.569 338 HA ARG 54 HA ARG 54 -2.046 -20.724 14.493 339 HB2 ARG 54 HB2 ARG 54 -0.613 -22.885 13.096 340 HB3 ARG 54 HB3 ARG 54 -0.331 -21.199 12.694 341 HG2 ARG 54 HG2 ARG 54 0.202 -20.807 15.067 342 HG3 ARG 54 HG3 ARG 54 0.095 -22.569 15.307 343 HD2 ARG 54 HD2 ARG 54 1.685 -22.929 13.572 344 HD3 ARG 54 HD3 ARG 54 1.617 -21.185 13.269 345 HE ARG 54 HE ARG 54 2.917 -20.760 15.092 346 HH11 ARG 54 HH11 ARG 54 2.271 -24.225 15.106 347 HH12 ARG 54 HH12 ARG 54 3.830 -24.743 15.483 348 HH21 ARG 54 HH21 ARG 54 5.210 -21.430 15.688 349 HH22 ARG 54 HH22 ARG 54 5.568 -23.073 15.872 350 H LEU 55 H LEU 55 -2.905 -23.058 11.980 351 HA LEU 55 HA LEU 55 -3.269 -21.366 9.772 352 HB2 LEU 55 HB2 LEU 55 -3.396 -23.973 10.033 353 HB3 LEU 55 HB3 LEU 55 -5.074 -23.705 10.418 354 HG LEU 55 HG LEU 55 -4.923 -24.447 8.158 355 HD11 LEU 55 HD11 LEU 55 -5.433 -21.508 8.091 356 HD12 LEU 55 HD12 LEU 55 -6.600 -22.789 8.454 357 HD13 LEU 55 HD13 LEU 55 -5.889 -22.670 6.842 358 HD21 LEU 55 HD21 LEU 55 -2.966 -22.241 7.712 359 HD22 LEU 55 HD22 LEU 55 -3.693 -23.237 6.450 360 HD23 LEU 55 HD23 LEU 55 -2.648 -23.984 7.677 361 H MET 56 H MET 56 -5.693 -22.411 12.194 362 HA MET 56 HA MET 56 -7.730 -20.746 11.129 363 HB2 MET 56 HB2 MET 56 -8.288 -22.661 12.501 364 HB3 MET 56 HB3 MET 56 -7.500 -21.910 13.884 365 HG2 MET 56 HG2 MET 56 -9.199 -19.940 13.346 366 HG3 MET 56 HG3 MET 56 -10.106 -21.243 12.585 367 HE1 MET 56 HE1 MET 56 -8.812 -20.987 16.947 368 HE2 MET 56 HE2 MET 56 -8.165 -20.061 15.541 369 HE3 MET 56 HE3 MET 56 -7.825 -21.770 15.721 370 H ARG 57 H ARG 57 -5.413 -20.318 13.708 371 HA ARG 57 HA ARG 57 -6.280 -17.966 14.828 372 HB2 ARG 57 HB2 ARG 57 -4.441 -19.348 15.550 373 HB3 ARG 57 HB3 ARG 57 -3.529 -18.731 14.175 374 HG2 ARG 57 HG2 ARG 57 -3.815 -16.451 15.061 375 HG3 ARG 57 HG3 ARG 57 -4.537 -17.163 16.516 376 HD2 ARG 57 HD2 ARG 57 -2.267 -16.873 16.958 377 HD3 ARG 57 HD3 ARG 57 -2.706 -18.589 16.639 378 HE ARG 57 HE ARG 57 -1.922 -17.484 14.230 379 HH11 ARG 57 HH11 ARG 57 -0.236 -18.472 17.222 380 HH12 ARG 57 HH12 ARG 57 1.244 -18.696 16.369 381 HH21 ARG 57 HH21 ARG 57 0.158 -17.878 13.196 382 HH22 ARG 57 HH22 ARG 57 1.450 -18.386 14.225 383 H TRP 58 H TRP 58 -4.304 -18.622 11.951 384 HA TRP 58 HA TRP 58 -3.788 -15.950 11.233 385 HB2 TRP 58 HB2 TRP 58 -3.554 -18.571 9.839 386 HB3 TRP 58 HB3 TRP 58 -3.326 -17.123 8.894 387 HD1 TRP 58 HD1 TRP 58 -1.292 -19.570 10.312 388 HE1 TRP 58 HE1 TRP 58 0.985 -18.689 11.136 389 HE3 TRP 58 HE3 TRP 58 -2.385 -14.579 10.527 390 HZ2 TRP 58 HZ2 TRP 58 2.163 -16.168 11.784 391 HZ3 TRP 58 HZ3 TRP 58 -0.645 -13.016 11.251 392 HH2 TRP 58 HH2 TRP 58 1.574 -13.793 11.862 393 H LEU 59 H LEU 59 -6.196 -18.295 10.193 394 HA LEU 59 HA LEU 59 -7.551 -16.734 8.311 395 HB2 LEU 59 HB2 LEU 59 -7.917 -19.196 8.878 396 HB3 LEU 59 HB3 LEU 59 -8.828 -18.670 10.268 397 HG LEU 59 HG LEU 59 -10.218 -19.436 8.326 398 HD11 LEU 59 HD11 LEU 59 -11.837 -17.643 8.364 399 HD12 LEU 59 HD12 LEU 59 -10.630 -16.576 9.086 400 HD13 LEU 59 HD13 LEU 59 -11.214 -17.981 9.986 401 HD21 LEU 59 HD21 LEU 59 -8.787 -18.562 6.569 402 HD22 LEU 59 HD22 LEU 59 -9.229 -16.913 7.026 403 HD23 LEU 59 HD23 LEU 59 -10.451 -18.018 6.399 404 H HIS 60 H HIS 60 -7.921 -16.991 11.765 405 HA HIS 60 HA HIS 60 -9.923 -15.137 12.284 406 HB2 HIS 60 HB2 HIS 60 -9.171 -16.573 14.038 407 HB3 HIS 60 HB3 HIS 60 -7.502 -16.075 13.833 408 HD1 HIS 60 HD1 HIS 60 -6.709 -14.143 15.285 409 HD2 HIS 60 HD2 HIS 60 -10.785 -14.726 15.340 410 HE1 HIS 60 HE1 HIS 60 -7.583 -12.627 17.109 411 H TRP 61 H TRP 61 -6.407 -14.646 12.025 412 HA TRP 61 HA TRP 61 -6.363 -11.899 12.563 413 HB2 TRP 61 HB2 TRP 61 -4.326 -13.238 12.610 414 HB3 TRP 61 HB3 TRP 61 -4.494 -13.607 10.904 415 HD1 TRP 61 HD1 TRP 61 -3.887 -10.447 13.118 416 HE1 TRP 61 HE1 TRP 61 -2.257 -8.893 11.799 417 HE3 TRP 61 HE3 TRP 61 -3.441 -13.128 8.793 418 HZ2 TRP 61 HZ2 TRP 61 -0.983 -8.831 9.308 419 HZ3 TRP 61 HZ3 TRP 61 -1.991 -12.253 7.015 420 HH2 TRP 61 HH2 TRP 61 -0.793 -10.156 7.277 421 H PHE 62 H PHE 62 -6.609 -13.646 9.500 422 HA PHE 62 HA PHE 62 -6.812 -11.386 7.839 423 HB2 PHE 62 HB2 PHE 62 -7.910 -14.181 7.438 424 HB3 PHE 62 HB3 PHE 62 -7.939 -12.935 6.201 425 HD1 PHE 62 HD1 PHE 62 -5.551 -11.800 5.859 426 HD2 PHE 62 HD2 PHE 62 -6.234 -15.724 7.293 427 HE1 PHE 62 HE1 PHE 62 -3.300 -12.479 5.112 428 HE2 PHE 62 HE2 PHE 62 -4.000 -16.403 6.558 429 HZ PHE 62 HZ PHE 62 -2.529 -14.776 5.460 430 H ARG 63 H ARG 63 -9.275 -13.368 9.367 431 HA ARG 63 HA ARG 63 -11.618 -12.169 8.462 432 HB2 ARG 63 HB2 ARG 63 -11.520 -14.252 9.751 433 HB3 ARG 63 HB3 ARG 63 -10.974 -13.367 11.157 434 HG2 ARG 63 HG2 ARG 63 -13.247 -13.884 11.511 435 HG3 ARG 63 HG3 ARG 63 -13.176 -12.166 11.136 436 HD2 ARG 63 HD2 ARG 63 -13.773 -14.313 9.158 437 HD3 ARG 63 HD3 ARG 63 -15.042 -13.456 10.034 438 HE ARG 63 HE ARG 63 -13.325 -12.403 7.881 439 HH11 ARG 63 HH11 ARG 63 -15.960 -11.757 10.148 440 HH12 ARG 63 HH12 ARG 63 -16.497 -10.342 9.365 441 HH21 ARG 63 HH21 ARG 63 -14.024 -10.520 6.798 442 HH22 ARG 63 HH22 ARG 63 -15.331 -9.587 7.358 443 H LYS 64 H LYS 64 -9.577 -11.409 11.174 444 HA LYS 64 HA LYS 64 -11.101 -9.223 12.207 445 HB2 LYS 64 HB2 LYS 64 -9.671 -10.768 13.496 446 HB3 LYS 64 HB3 LYS 64 -8.274 -10.097 12.682 447 HG2 LYS 64 HG2 LYS 64 -9.218 -7.842 13.661 448 HG3 LYS 64 HG3 LYS 64 -9.985 -8.938 14.812 449 HD2 LYS 64 HD2 LYS 64 -7.838 -8.214 15.662 450 HD3 LYS 64 HD3 LYS 64 -7.835 -9.949 15.278 451 HE2 LYS 64 HE2 LYS 64 -5.778 -8.633 14.518 452 HE3 LYS 64 HE3 LYS 64 -6.531 -9.620 13.282 453 HZ1 LYS 64 HZ1 LYS 64 -6.113 -7.542 12.282 454 HZ2 LYS 64 HZ2 LYS 64 -6.691 -6.646 13.591 455 HZ3 LYS 64 HZ3 LYS 64 -7.750 -7.493 12.599 456 H ASN 65 H ASN 65 -9.040 -9.522 9.535 457 HA ASN 65 HA ASN 65 -8.417 -6.660 9.551 458 HB2 ASN 65 HB2 ASN 65 -7.161 -8.973 8.046 459 HB3 ASN 65 HB3 ASN 65 -6.986 -7.330 7.451 460 HD21 ASN 65 HD21 ASN 65 -4.679 -7.366 7.742 461 HD22 ASN 65 HD22 ASN 65 -3.991 -7.325 9.278 462 H GLY 66 H GLY 66 -10.831 -8.535 8.760 463 HA2 GLY 66 HA2 GLY 66 -12.715 -7.535 7.706 464 HA3 GLY 66 HA3 GLY 66 -11.622 -6.715 6.607 465 H TYR 67 H TYR 67 -10.291 -9.588 6.563 466 HA TYR 67 HA TYR 67 -11.059 -10.182 3.949 467 HB2 TYR 67 HB2 TYR 67 -9.716 -11.805 6.034 468 HB3 TYR 67 HB3 TYR 67 -10.128 -12.496 4.478 469 HD1 TYR 67 HD1 TYR 67 -8.266 -9.699 6.052 470 HD2 TYR 67 HD2 TYR 67 -8.709 -12.280 2.719 471 HE1 TYR 67 HE1 TYR 67 -6.130 -8.907 5.150 472 HE2 TYR 67 HE2 TYR 67 -6.602 -11.490 1.806 473 HH TYR 67 HH TYR 67 -4.636 -9.173 3.615 474 H ARG 68 H ARG 68 -12.304 -11.581 3.006 475 HA ARG 68 HA ARG 68 -14.134 -13.145 4.628 476 HB2 ARG 68 HB2 ARG 68 -14.317 -11.903 1.918 477 HB3 ARG 68 HB3 ARG 68 -15.314 -13.302 2.278 478 HG2 ARG 68 HG2 ARG 68 -16.378 -12.091 4.055 479 HG3 ARG 68 HG3 ARG 68 -15.307 -10.709 3.773 480 HD2 ARG 68 HD2 ARG 68 -17.581 -10.497 2.725 481 HD3 ARG 68 HD3 ARG 68 -16.212 -10.342 1.622 482 HE ARG 68 HE ARG 68 -16.888 -12.978 1.492 483 HH11 ARG 68 HH11 ARG 68 -18.238 -9.910 0.493 484 HH12 ARG 68 HH12 ARG 68 -19.444 -10.531 -0.509 485 HH21 ARG 68 HH21 ARG 68 -18.380 -13.919 0.037 486 HH22 ARG 68 HH22 ARG 68 -19.524 -12.966 -0.810 487 H LEU 69 H LEU 69 -12.943 -14.896 4.989 488 HA LEU 69 HA LEU 69 -12.250 -16.627 2.763 489 HB2 LEU 69 HB2 LEU 69 -10.385 -15.820 5.022 490 HB3 LEU 69 HB3 LEU 69 -10.115 -17.187 3.978 491 HG LEU 69 HG LEU 69 -10.178 -14.331 2.973 492 HD11 LEU 69 HD11 LEU 69 -8.373 -14.640 4.626 493 HD12 LEU 69 HD12 LEU 69 -7.742 -14.450 2.992 494 HD13 LEU 69 HD13 LEU 69 -7.801 -16.046 3.727 495 HD21 LEU 69 HD21 LEU 69 -10.569 -16.079 1.299 496 HD22 LEU 69 HD22 LEU 69 -9.081 -16.885 1.798 497 HD23 LEU 69 HD23 LEU 69 -9.011 -15.290 1.061 498 H THR 70 H THR 70 -12.602 -18.808 3.459 499 HA THR 70 HA THR 70 -13.436 -18.992 6.246 500 HB THR 70 HB THR 70 -14.597 -21.071 5.661 501 HG1 THR 70 HG1 THR 70 -13.490 -20.692 3.043 502 HG21 THR 70 HG21 THR 70 -16.290 -20.261 4.086 503 HG22 THR 70 HG22 THR 70 -15.207 -18.957 3.603 504 HG23 THR 70 HG23 THR 70 -15.848 -19.004 5.248 505 H LEU 71 H LEU 71 -12.660 -21.014 7.343 506 HA LEU 71 HA LEU 71 -9.885 -21.124 7.339 507 HB2 LEU 71 HB2 LEU 71 -11.488 -22.021 9.166 508 HB3 LEU 71 HB3 LEU 71 -11.632 -23.429 8.154 509 HG LEU 71 HG LEU 71 -9.282 -23.936 8.440 510 HD11 LEU 71 HD11 LEU 71 -9.283 -21.429 10.087 511 HD12 LEU 71 HD12 LEU 71 -8.390 -21.673 8.575 512 HD13 LEU 71 HD13 LEU 71 -7.980 -22.595 10.030 513 HD21 LEU 71 HD21 LEU 71 -9.288 -24.418 10.782 514 HD22 LEU 71 HD22 LEU 71 -10.916 -24.700 10.147 515 HD23 LEU 71 HD23 LEU 71 -10.547 -23.240 11.076 516 H ARG 72 H ARG 72 -12.194 -23.045 5.687 517 HA ARG 72 HA ARG 72 -10.913 -25.282 4.906 518 HB2 ARG 72 HB2 ARG 72 -13.228 -24.895 4.560 519 HB3 ARG 72 HB3 ARG 72 -12.878 -23.592 3.436 520 HG2 ARG 72 HG2 ARG 72 -11.843 -25.272 1.919 521 HG3 ARG 72 HG3 ARG 72 -12.434 -26.534 3.010 522 HD2 ARG 72 HD2 ARG 72 -13.995 -26.174 1.177 523 HD3 ARG 72 HD3 ARG 72 -14.683 -25.719 2.747 524 HE ARG 72 HE ARG 72 -13.481 -23.457 1.534 525 HH11 ARG 72 HH11 ARG 72 -16.405 -25.401 1.171 526 HH12 ARG 72 HH12 ARG 72 -17.332 -24.111 0.546 527 HH21 ARG 72 HH21 ARG 72 -14.592 -21.831 0.779 528 HH22 ARG 72 HH22 ARG 72 -16.245 -21.897 0.285 529 H GLU 73 H GLU 73 -10.951 -22.131 3.094 530 HA GLU 73 HA GLU 73 -9.673 -22.978 0.773 531 HB2 GLU 73 HB2 GLU 73 -9.725 -20.245 2.044 532 HB3 GLU 73 HB3 GLU 73 -8.872 -20.541 0.546 533 HG2 GLU 73 HG2 GLU 73 -10.963 -19.594 -0.010 534 HG3 GLU 73 HG3 GLU 73 -11.065 -21.300 -0.427 535 H LEU 74 H LEU 74 -8.165 -21.445 3.575 536 HA LEU 74 HA LEU 74 -5.547 -21.549 2.450 537 HB2 LEU 74 HB2 LEU 74 -6.383 -21.040 5.303 538 HB3 LEU 74 HB3 LEU 74 -4.770 -20.839 4.679 539 HG LEU 74 HG LEU 74 -5.741 -19.050 3.147 540 HD11 LEU 74 HD11 LEU 74 -7.775 -18.041 4.026 541 HD12 LEU 74 HD12 LEU 74 -7.889 -19.514 5.063 542 HD13 LEU 74 HD13 LEU 74 -7.944 -19.659 3.285 543 HD21 LEU 74 HD21 LEU 74 -5.735 -17.379 4.903 544 HD22 LEU 74 HD22 LEU 74 -4.411 -18.536 5.053 545 HD23 LEU 74 HD23 LEU 74 -5.830 -18.660 6.121 546 H TYR 75 H TYR 75 -7.514 -23.561 4.250 547 HA TYR 75 HA TYR 75 -5.514 -25.036 5.662 548 HB2 TYR 75 HB2 TYR 75 -7.906 -24.504 6.369 549 HB3 TYR 75 HB3 TYR 75 -8.430 -25.712 5.209 550 HD1 TYR 75 HD1 TYR 75 -5.469 -26.882 6.658 551 HD2 TYR 75 HD2 TYR 75 -9.528 -25.996 7.415 552 HE1 TYR 75 HE1 TYR 75 -5.406 -28.365 8.581 553 HE2 TYR 75 HE2 TYR 75 -9.597 -27.365 9.232 554 HH TYR 75 HH TYR 75 -8.231 -29.372 10.292 555 H ALA 76 H ALA 76 -7.508 -25.363 2.769 556 HA ALA 76 HA ALA 76 -6.672 -28.019 2.142 557 HB1 ALA 76 HB1 ALA 76 -7.813 -27.649 0.006 558 HB2 ALA 76 HB2 ALA 76 -7.964 -25.933 0.380 559 HB3 ALA 76 HB3 ALA 76 -8.820 -27.124 1.358 560 H ALA 77 H ALA 77 -5.689 -24.777 1.187 561 HA ALA 77 HA ALA 77 -3.320 -26.007 -0.011 562 HB1 ALA 77 HB1 ALA 77 -4.741 -25.067 -1.789 563 HB2 ALA 77 HB2 ALA 77 -3.200 -24.217 -1.653 564 HB3 ALA 77 HB3 ALA 77 -4.667 -23.488 -1.000 565 HA PRO 78 HA PRO 78 -1.959 -23.073 3.171 566 HB2 PRO 78 HB2 PRO 78 -0.367 -24.949 4.506 567 HB3 PRO 78 HB3 PRO 78 -2.006 -24.470 4.984 568 HG2 PRO 78 HG2 PRO 78 -1.204 -26.998 4.032 569 HG3 PRO 78 HG3 PRO 78 -2.855 -26.437 4.348 570 HD2 PRO 78 HD2 PRO 78 -1.421 -26.676 1.781 571 HD3 PRO 78 HD3 PRO 78 -3.164 -26.704 2.119 572 H THR 79 H THR 79 -0.841 -22.160 1.452 573 HA THR 79 HA THR 79 2.017 -22.602 1.499 574 HB THR 79 HB THR 79 2.012 -22.259 -1.042 575 HG1 THR 79 HG1 THR 79 -0.700 -22.950 -0.633 576 HG21 THR 79 HG21 THR 79 0.826 -24.846 -0.050 577 HG22 THR 79 HG22 THR 79 2.557 -24.450 -0.095 578 HG23 THR 79 HG23 THR 79 1.650 -24.619 -1.600 579 H LEU 80 H LEU 80 3.040 -20.617 1.027 580 HA LEU 80 HA LEU 80 1.393 -18.380 1.678 581 HB2 LEU 80 HB2 LEU 80 4.126 -18.972 1.794 582 HB3 LEU 80 HB3 LEU 80 3.964 -17.612 0.696 583 HG LEU 80 HG LEU 80 4.328 -16.808 3.023 584 HD11 LEU 80 HD11 LEU 80 1.523 -16.249 2.266 585 HD12 LEU 80 HD12 LEU 80 2.921 -15.657 1.385 586 HD13 LEU 80 HD13 LEU 80 2.725 -15.224 3.088 587 HD21 LEU 80 HD21 LEU 80 2.720 -17.143 4.656 588 HD22 LEU 80 HD22 LEU 80 3.411 -18.685 4.166 589 HD23 LEU 80 HD23 LEU 80 1.774 -18.229 3.634 590 H ALA 81 H ALA 81 2.649 -19.655 -1.291 591 HA ALA 81 HA ALA 81 2.169 -17.425 -2.933 592 HB1 ALA 81 HB1 ALA 81 3.495 -19.370 -3.657 593 HB2 ALA 81 HB2 ALA 81 2.204 -19.002 -4.799 594 HB3 ALA 81 HB3 ALA 81 2.029 -20.349 -3.677 595 H ALA 82 H ALA 82 0.091 -20.210 -2.132 596 HA ALA 82 HA ALA 82 -2.061 -19.287 -3.721 597 HB1 ALA 82 HB1 ALA 82 -2.169 -21.199 -1.394 598 HB2 ALA 82 HB2 ALA 82 -1.889 -21.639 -3.085 599 HB3 ALA 82 HB3 ALA 82 -3.431 -20.929 -2.597 600 H TRP 83 H TRP 83 -1.213 -18.917 -0.327 601 HA TRP 83 HA TRP 83 -3.566 -17.613 0.464 602 HB2 TRP 83 HB2 TRP 83 -0.760 -17.493 1.540 603 HB3 TRP 83 HB3 TRP 83 -2.082 -16.589 2.263 604 HD1 TRP 83 HD1 TRP 83 -3.007 -20.056 1.042 605 HE1 TRP 83 HE1 TRP 83 -3.269 -21.616 3.008 606 HE3 TRP 83 HE3 TRP 83 -1.257 -16.973 4.634 607 HZ2 TRP 83 HZ2 TRP 83 -2.906 -21.518 5.770 608 HZ3 TRP 83 HZ3 TRP 83 -1.287 -17.770 7.002 609 HH2 TRP 83 HH2 TRP 83 -2.123 -20.026 7.531 610 H ASN 84 H ASN 84 -0.434 -16.230 -0.410 611 HA ASN 84 HA ASN 84 -1.077 -13.552 -0.478 612 HB2 ASN 84 HB2 ASN 84 1.200 -14.332 -0.696 613 HB3 ASN 84 HB3 ASN 84 0.847 -15.178 -2.180 614 HD21 ASN 84 HD21 ASN 84 2.704 -14.100 -2.983 615 HD22 ASN 84 HD22 ASN 84 2.586 -12.477 -3.556 616 H GLN 85 H GLN 85 -1.532 -15.933 -3.045 617 HA GLN 85 HA GLN 85 -2.713 -14.282 -4.982 618 HB2 GLN 85 HB2 GLN 85 -1.945 -16.564 -5.448 619 HB3 GLN 85 HB3 GLN 85 -3.184 -17.217 -4.396 620 HG2 GLN 85 HG2 GLN 85 -4.911 -16.354 -5.906 621 HG3 GLN 85 HG3 GLN 85 -3.652 -15.727 -6.970 622 HE21 GLN 85 HE21 GLN 85 -5.226 -18.580 -5.775 623 HE22 GLN 85 HE22 GLN 85 -4.571 -19.647 -6.975 624 H LEU 86 H LEU 86 -4.268 -16.339 -2.511 625 HA LEU 86 HA LEU 86 -6.976 -15.746 -2.982 626 HB2 LEU 86 HB2 LEU 86 -5.608 -16.495 -0.417 627 HB3 LEU 86 HB3 LEU 86 -7.339 -16.461 -0.643 628 HG LEU 86 HG LEU 86 -5.450 -18.277 -2.130 629 HD11 LEU 86 HD11 LEU 86 -5.503 -18.762 0.235 630 HD12 LEU 86 HD12 LEU 86 -6.333 -20.023 -0.690 631 HD13 LEU 86 HD13 LEU 86 -7.269 -18.788 0.184 632 HD21 LEU 86 HD21 LEU 86 -8.452 -18.243 -1.926 633 HD22 LEU 86 HD22 LEU 86 -7.485 -19.495 -2.694 634 HD23 LEU 86 HD23 LEU 86 -7.506 -17.860 -3.376 635 H MET 87 H MET 87 -4.524 -13.964 -1.344 636 HA MET 87 HA MET 87 -6.311 -12.662 0.439 637 HB2 MET 87 HB2 MET 87 -3.371 -12.313 -0.082 638 HB3 MET 87 HB3 MET 87 -4.255 -11.287 1.037 639 HG2 MET 87 HG2 MET 87 -4.782 -13.158 2.433 640 HG3 MET 87 HG3 MET 87 -4.111 -14.280 1.252 641 HE1 MET 87 HE1 MET 87 -1.620 -11.264 3.663 642 HE2 MET 87 HE2 MET 87 -3.389 -11.287 3.574 643 HE3 MET 87 HE3 MET 87 -2.439 -10.815 2.180 644 H LEU 88 H LEU 88 -4.717 -12.029 -2.499 645 HA LEU 88 HA LEU 88 -5.581 -9.308 -2.481 646 HB2 LEU 88 HB2 LEU 88 -3.594 -9.218 -3.480 647 HB3 LEU 88 HB3 LEU 88 -3.607 -10.927 -3.875 648 HG LEU 88 HG LEU 88 -5.055 -10.371 -5.688 649 HD11 LEU 88 HD11 LEU 88 -4.919 -7.963 -6.591 650 HD12 LEU 88 HD12 LEU 88 -4.115 -7.516 -5.085 651 HD13 LEU 88 HD13 LEU 88 -5.783 -8.084 -5.056 652 HD21 LEU 88 HD21 LEU 88 -2.795 -10.916 -6.073 653 HD22 LEU 88 HD22 LEU 88 -2.273 -9.280 -5.663 654 HD23 LEU 88 HD23 LEU 88 -3.180 -9.568 -7.155 655 H SER 89 H SER 89 -6.300 -12.285 -4.239 656 HA SER 89 HA SER 89 -7.975 -11.038 -6.077 657 HB2 SER 89 HB2 SER 89 -8.873 -13.414 -6.415 658 HB3 SER 89 HB3 SER 89 -7.144 -13.173 -6.663 659 HG SER 89 HG SER 89 -6.701 -14.211 -4.845 660 H ARG 90 H ARG 90 -8.514 -12.302 -2.868 661 HA ARG 90 HA ARG 90 -11.351 -11.708 -3.130 662 HB2 ARG 90 HB2 ARG 90 -9.939 -13.101 -0.870 663 HB3 ARG 90 HB3 ARG 90 -11.675 -12.961 -1.093 664 HG2 ARG 90 HG2 ARG 90 -11.507 -14.297 -3.142 665 HG3 ARG 90 HG3 ARG 90 -9.769 -14.464 -2.872 666 HD2 ARG 90 HD2 ARG 90 -10.707 -16.433 -1.989 667 HD3 ARG 90 HD3 ARG 90 -10.348 -15.353 -0.631 668 HE ARG 90 HE ARG 90 -12.988 -14.861 -1.390 669 HH11 ARG 90 HH11 ARG 90 -11.238 -17.594 -0.011 670 HH12 ARG 90 HH12 ARG 90 -12.558 -18.218 0.864 671 HH21 ARG 90 HH21 ARG 90 -14.731 -15.578 -0.248 672 HH22 ARG 90 HH22 ARG 90 -14.682 -16.994 0.729 673 H SER 91 H SER 91 -8.598 -11.054 -0.815 674 HA SER 91 HA SER 91 -8.568 -9.706 1.054 675 HB2 SER 91 HB2 SER 91 -9.867 -7.849 -1.000 676 HB3 SER 91 HB3 SER 91 -8.938 -7.333 0.407 677 HG SER 91 HG SER 91 -7.451 -9.033 -0.918 678 HA PRO 92 HA PRO 92 -13.012 -9.165 2.585 679 HB2 PRO 92 HB2 PRO 92 -13.250 -6.242 2.032 680 HB3 PRO 92 HB3 PRO 92 -13.568 -7.105 3.553 681 HG2 PRO 92 HG2 PRO 92 -11.443 -5.567 3.333 682 HG3 PRO 92 HG3 PRO 92 -11.368 -7.119 4.194 683 HD2 PRO 92 HD2 PRO 92 -10.400 -6.439 1.470 684 HD3 PRO 92 HD3 PRO 92 -9.641 -7.460 2.712 685 H GLU 93 H GLU 93 -14.356 -10.010 1.074 686 HA GLU 93 HA GLU 93 -14.373 -9.118 -1.641 687 HB2 GLU 93 HB2 GLU 93 -16.238 -11.123 -0.317 688 HB3 GLU 93 HB3 GLU 93 -15.876 -10.978 -2.023 689 HG2 GLU 93 HG2 GLU 93 -13.667 -11.814 -1.704 690 HG3 GLU 93 HG3 GLU 93 -13.826 -11.782 0.040 Start of MODEL 8 1 H ASP 14 HT1 ASP 14 -3.534 -5.922 -8.561 2 HA ASP 14 HA ASP 14 -1.258 -5.279 -7.899 3 HB2 ASP 14 HB2 ASP 14 -3.078 -3.562 -8.185 4 HB3 ASP 14 HB3 ASP 14 -3.425 -3.694 -6.470 5 H ASN 15 H ASN 15 -1.026 -3.817 -5.245 6 HA ASN 15 HA ASN 15 -0.648 -6.234 -3.612 7 HB2 ASN 15 HB2 ASN 15 1.144 -3.838 -3.977 8 HB3 ASN 15 HB3 ASN 15 1.322 -4.950 -2.626 9 HD21 ASN 15 HD21 ASN 15 2.156 -6.986 -2.996 10 HD22 ASN 15 HD22 ASN 15 2.873 -7.420 -4.516 11 H ARG 16 H ARG 16 -2.896 -4.364 -3.646 12 HA ARG 16 HA ARG 16 -2.986 -2.430 -1.674 13 HB2 ARG 16 HB2 ARG 16 -5.091 -4.272 -2.698 14 HB3 ARG 16 HB3 ARG 16 -5.464 -3.228 -1.343 15 HG2 ARG 16 HG2 ARG 16 -6.274 -2.204 -3.315 16 HG3 ARG 16 HG3 ARG 16 -4.875 -1.288 -2.786 17 HD2 ARG 16 HD2 ARG 16 -3.527 -2.247 -4.532 18 HD3 ARG 16 HD3 ARG 16 -4.799 -3.390 -4.951 19 HE ARG 16 HE ARG 16 -6.201 -1.447 -5.540 20 HH11 ARG 16 HH11 ARG 16 -2.670 -0.987 -5.782 21 HH12 ARG 16 HH12 ARG 16 -2.810 0.310 -6.846 22 HH21 ARG 16 HH21 ARG 16 -6.375 0.186 -6.869 23 HH22 ARG 16 HH22 ARG 16 -5.053 1.064 -7.545 24 H HIS 17 H HIS 17 -5.002 -5.120 -0.700 25 HA HIS 17 HA HIS 17 -4.010 -4.908 2.013 26 HB2 HIS 17 HB2 HIS 17 -6.122 -6.716 0.785 27 HB3 HIS 17 HB3 HIS 17 -5.720 -6.695 2.493 28 HD1 HIS 17 HD1 HIS 17 -7.275 -5.244 3.867 29 HD2 HIS 17 HD2 HIS 17 -7.068 -4.025 -0.103 30 HE1 HIS 17 HE1 HIS 17 -8.933 -3.375 3.618 31 H ALA 18 H ALA 18 -3.337 -6.679 -0.657 32 HA ALA 18 HA ALA 18 -2.063 -8.909 0.460 33 HB1 ALA 18 HB1 ALA 18 -0.889 -9.102 -1.650 34 HB2 ALA 18 HB2 ALA 18 -1.399 -7.463 -2.095 35 HB3 ALA 18 HB3 ALA 18 -2.602 -8.746 -1.883 36 H ALA 19 H ALA 19 -1.117 -5.577 0.570 37 HA ALA 19 HA ALA 19 1.671 -5.961 1.021 38 HB1 ALA 19 HB1 ALA 19 -0.139 -3.827 2.166 39 HB2 ALA 19 HB2 ALA 19 0.570 -3.754 0.562 40 HB3 ALA 19 HB3 ALA 19 1.617 -3.745 1.990 41 H ASP 20 H ASP 20 -1.098 -6.554 2.992 42 HA ASP 20 HA ASP 20 0.298 -6.644 5.474 43 HB2 ASP 20 HB2 ASP 20 -2.184 -6.325 5.232 44 HB3 ASP 20 HB3 ASP 20 -2.302 -7.995 4.701 45 H TYR 21 H TYR 21 0.039 -8.697 2.807 46 HA TYR 21 HA TYR 21 0.686 -11.291 3.759 47 HB2 TYR 21 HB2 TYR 21 0.223 -11.009 1.396 48 HB3 TYR 21 HB3 TYR 21 1.525 -9.859 1.216 49 HD1 TYR 21 HD2 TYR 21 4.014 -10.875 1.527 50 HD2 TYR 21 HD1 TYR 21 0.527 -13.234 0.759 51 HE1 TYR 21 HE2 TYR 21 5.402 -12.623 0.688 52 HE2 TYR 21 HE1 TYR 21 1.988 -15.028 -0.089 53 HH TYR 21 HH TYR 21 4.683 -15.010 -1.134 54 H GLN 22 H GLN 22 2.662 -8.446 3.290 55 HA GLN 22 HA GLN 22 5.218 -9.557 3.585 56 HB2 GLN 22 HB2 GLN 22 4.924 -7.261 2.844 57 HB3 GLN 22 HB3 GLN 22 4.161 -6.826 4.358 58 HG2 GLN 22 HG2 GLN 22 6.447 -5.987 4.226 59 HG3 GLN 22 HG3 GLN 22 6.259 -7.144 5.539 60 HE21 GLN 22 HE21 GLN 22 8.414 -7.591 5.616 61 HE22 GLN 22 HE22 GLN 22 9.239 -8.495 4.396 62 H GLN 23 H GLN 23 2.979 -8.278 5.942 63 HA GLN 23 HA GLN 23 4.671 -8.785 8.179 64 HB2 GLN 23 HB2 GLN 23 1.665 -8.491 8.294 65 HB3 GLN 23 HB3 GLN 23 2.811 -8.200 9.592 66 HG2 GLN 23 HG2 GLN 23 2.342 -6.540 7.124 67 HG3 GLN 23 HG3 GLN 23 2.082 -6.082 8.800 68 HE21 GLN 23 HE21 GLN 23 4.719 -7.234 9.638 69 HE22 GLN 23 HE22 GLN 23 5.914 -6.198 9.014 70 H LEU 24 H LEU 24 2.247 -10.626 6.528 71 HA LEU 24 HA LEU 24 1.904 -12.855 8.297 72 HB2 LEU 24 HB2 LEU 24 0.730 -12.198 5.994 73 HB3 LEU 24 HB3 LEU 24 2.024 -13.149 5.318 74 HG LEU 24 HG LEU 24 -0.126 -14.141 7.201 75 HD11 LEU 24 HD11 LEU 24 -0.956 -13.724 4.982 76 HD12 LEU 24 HD12 LEU 24 -0.834 -15.454 5.379 77 HD13 LEU 24 HD13 LEU 24 0.365 -14.721 4.319 78 HD21 LEU 24 HD21 LEU 24 2.069 -15.702 5.857 79 HD22 LEU 24 HD22 LEU 24 0.708 -16.381 6.741 80 HD23 LEU 24 HD23 LEU 24 1.902 -15.394 7.584 81 H ARG 25 H ARG 25 4.111 -12.272 5.658 82 HA ARG 25 HA ARG 25 5.412 -14.719 5.841 83 HB2 ARG 25 HB2 ARG 25 5.296 -13.025 3.941 84 HB3 ARG 25 HB3 ARG 25 6.611 -12.196 4.758 85 HG2 ARG 25 HG2 ARG 25 7.969 -14.193 4.612 86 HG3 ARG 25 HG3 ARG 25 6.585 -15.018 3.864 87 HD2 ARG 25 HD2 ARG 25 6.640 -13.316 2.051 88 HD3 ARG 25 HD3 ARG 25 8.147 -12.713 2.722 89 HE ARG 25 HE ARG 25 8.882 -15.178 2.445 90 HH11 ARG 25 HH11 ARG 25 6.938 -13.329 0.088 91 HH12 ARG 25 HH12 ARG 25 7.315 -14.424 -1.168 92 HH21 ARG 25 HH21 ARG 25 9.373 -16.578 0.571 93 HH22 ARG 25 HH22 ARG 25 8.640 -16.087 -0.927 94 H GLU 26 H GLU 26 6.220 -11.505 7.161 95 HA GLU 26 HA GLU 26 8.682 -12.151 8.303 96 HB2 GLU 26 HB2 GLU 26 6.626 -10.147 9.222 97 HB3 GLU 26 HB3 GLU 26 8.279 -10.221 9.811 98 HG2 GLU 26 HG2 GLU 26 9.108 -9.762 7.573 99 HG3 GLU 26 HG3 GLU 26 7.456 -9.722 6.965 100 H ARG 27 H ARG 27 5.423 -12.372 9.715 101 HA ARG 27 HA ARG 27 6.330 -13.305 12.228 102 HB2 ARG 27 HB2 ARG 27 4.173 -12.366 12.109 103 HB3 ARG 27 HB3 ARG 27 3.695 -13.551 10.891 104 HG2 ARG 27 HG2 ARG 27 3.893 -15.341 12.467 105 HG3 ARG 27 HG3 ARG 27 4.527 -14.244 13.693 106 HD2 ARG 27 HD2 ARG 27 2.557 -13.266 14.034 107 HD3 ARG 27 HD3 ARG 27 1.943 -13.712 12.428 108 HE ARG 27 HE ARG 27 2.461 -15.858 14.381 109 HH11 ARG 27 HH11 ARG 27 -0.131 -13.883 13.039 110 HH12 ARG 27 HH12 ARG 27 -1.275 -15.139 12.944 111 HH21 ARG 27 HH21 ARG 27 1.011 -17.603 14.193 112 HH22 ARG 27 HH22 ARG 27 -0.590 -17.390 13.603 113 H LEU 28 H LEU 28 5.477 -15.022 9.236 114 HA LEU 28 HA LEU 28 5.278 -17.609 10.378 115 HB2 LEU 28 HB2 LEU 28 6.251 -16.850 7.626 116 HB3 LEU 28 HB3 LEU 28 5.902 -18.478 8.131 117 HG LEU 28 HG LEU 28 3.871 -16.270 7.863 118 HD11 LEU 28 HD11 LEU 28 4.900 -16.946 5.762 119 HD12 LEU 28 HD12 LEU 28 3.221 -17.494 5.857 120 HD13 LEU 28 HD13 LEU 28 4.540 -18.632 6.122 121 HD21 LEU 28 HD21 LEU 28 3.237 -18.024 9.483 122 HD22 LEU 28 HD22 LEU 28 3.515 -19.244 8.228 123 HD23 LEU 28 HD23 LEU 28 2.259 -18.015 8.018 124 H ILE 29 H ILE 29 7.892 -15.922 8.816 125 HA ILE 29 HA ILE 29 9.925 -17.757 8.938 126 HB ILE 29 HB ILE 29 9.875 -14.751 9.121 127 HG12 ILE 29 HG12 ILE 29 10.669 -16.625 6.891 128 HG13 ILE 29 HG11 ILE 29 9.122 -15.801 7.032 129 HG21 ILE 29 HG21 ILE 29 11.862 -15.404 10.228 130 HG22 ILE 29 HG22 ILE 29 12.249 -14.707 8.637 131 HG23 ILE 29 HG23 ILE 29 12.318 -16.463 8.881 132 HD11 ILE 29 HD11 ILE 29 10.262 -13.651 6.795 133 HD12 ILE 29 HD12 ILE 29 10.588 -14.727 5.428 134 HD13 ILE 29 HD13 ILE 29 11.805 -14.503 6.682 135 H GLN 30 H GLN 30 9.017 -15.406 11.391 136 HA GLN 30 HA GLN 30 11.024 -16.292 13.218 137 HB2 GLN 30 HB2 GLN 30 8.695 -14.424 13.510 138 HB3 GLN 30 HB3 GLN 30 9.912 -14.687 14.765 139 HG2 GLN 30 HG2 GLN 30 11.629 -13.798 13.346 140 HG3 GLN 30 HG3 GLN 30 10.515 -13.710 11.984 141 HE21 GLN 30 HE21 GLN 30 9.007 -12.090 11.918 142 HE22 GLN 30 HE22 GLN 30 9.108 -10.688 12.937 143 H GLU 31 H GLU 31 7.572 -16.921 12.819 144 HA GLU 31 HA GLU 31 7.279 -18.138 15.397 145 HB2 GLU 31 HB2 GLU 31 5.433 -16.965 13.935 146 HB3 GLU 31 HB3 GLU 31 5.366 -18.499 13.129 147 HG2 GLU 31 HG2 GLU 31 4.734 -19.685 15.088 148 HG3 GLU 31 HG3 GLU 31 4.995 -18.270 16.096 149 H LEU 32 H LEU 32 7.821 -19.320 12.121 150 HA LEU 32 HA LEU 32 7.578 -22.097 12.893 151 HB2 LEU 32 HB2 LEU 32 8.272 -20.692 10.332 152 HB3 LEU 32 HB3 LEU 32 8.502 -22.408 10.513 153 HG LEU 32 HG LEU 32 6.067 -22.687 10.837 154 HD11 LEU 32 HD11 LEU 32 5.903 -19.753 10.229 155 HD12 LEU 32 HD12 LEU 32 5.411 -20.538 11.735 156 HD13 LEU 32 HD13 LEU 32 4.539 -20.862 10.229 157 HD21 LEU 32 HD21 LEU 32 6.979 -23.015 8.687 158 HD22 LEU 32 HD22 LEU 32 7.042 -21.293 8.395 159 HD23 LEU 32 HD23 LEU 32 5.467 -22.110 8.463 160 H ASN 33 H ASN 33 9.921 -19.755 13.163 161 HA ASN 33 HA ASN 33 12.128 -19.703 13.669 162 HB2 ASN 33 HB2 ASN 33 11.531 -21.607 15.229 163 HB3 ASN 33 HB3 ASN 33 11.944 -22.735 13.952 164 HD21 ASN 33 HD21 ASN 33 13.788 -19.803 14.647 165 HD22 ASN 33 HD22 ASN 33 15.192 -20.644 15.215 166 H LEU 34 H LEU 34 11.185 -19.930 11.040 167 HA LEU 34 HA LEU 34 13.294 -21.353 9.595 168 HB2 LEU 34 HB2 LEU 34 10.613 -20.260 8.737 169 HB3 LEU 34 HB3 LEU 34 11.843 -20.695 7.565 170 HG LEU 34 HG LEU 34 10.471 -22.521 9.532 171 HD11 LEU 34 HD11 LEU 34 9.069 -21.743 7.692 172 HD12 LEU 34 HD12 LEU 34 9.477 -23.451 7.495 173 HD13 LEU 34 HD13 LEU 34 10.304 -22.216 6.541 174 HD21 LEU 34 HD21 LEU 34 12.464 -23.098 7.363 175 HD22 LEU 34 HD22 LEU 34 11.597 -24.312 8.298 176 HD23 LEU 34 HD23 LEU 34 12.776 -23.257 9.095 177 H THR 35 H THR 35 13.823 -20.082 7.464 178 HA THR 35 HA THR 35 14.282 -17.280 8.166 179 HB THR 35 HB THR 35 16.377 -17.359 6.852 180 HG1 THR 35 HG1 THR 35 15.588 -20.030 6.347 181 HG21 THR 35 HG21 THR 35 16.591 -18.020 9.203 182 HG22 THR 35 HG22 THR 35 17.737 -18.914 8.199 183 HG23 THR 35 HG23 THR 35 16.258 -19.695 8.763 184 HA PRO 36 HA PRO 36 12.101 -16.243 4.468 185 HB2 PRO 36 HB2 PRO 36 14.413 -14.986 3.109 186 HB3 PRO 36 HB3 PRO 36 12.873 -14.256 3.602 187 HG2 PRO 36 HG2 PRO 36 15.115 -13.702 4.895 188 HG3 PRO 36 HG3 PRO 36 13.567 -13.851 5.745 189 HD2 PRO 36 HD2 PRO 36 15.822 -15.784 5.593 190 HD3 PRO 36 HD3 PRO 36 14.770 -15.382 6.968 191 H GLN 37 H GLN 37 14.872 -18.177 4.162 192 HA GLN 37 HA GLN 37 14.619 -18.630 1.295 193 HB2 GLN 37 HB2 GLN 37 16.526 -19.827 3.297 194 HB3 GLN 37 HB3 GLN 37 16.587 -20.067 1.558 195 HG2 GLN 37 HG2 GLN 37 17.028 -17.705 1.225 196 HG3 GLN 37 HG3 GLN 37 16.902 -17.425 2.962 197 HE21 GLN 37 HE21 GLN 37 18.832 -18.769 0.417 198 HE22 GLN 37 HE22 GLN 37 20.267 -18.955 1.373 199 H GLN 38 H GLN 38 13.517 -20.178 4.200 200 HA GLN 38 HA GLN 38 13.020 -22.585 2.610 201 HB2 GLN 38 HB2 GLN 38 12.397 -22.102 5.531 202 HB3 GLN 38 HB3 GLN 38 12.019 -23.588 4.678 203 HG2 GLN 38 HG2 GLN 38 13.953 -24.047 5.885 204 HG3 GLN 38 HG3 GLN 38 14.533 -23.765 4.240 205 HE21 GLN 38 HE21 GLN 38 16.565 -23.145 4.846 206 HE22 GLN 38 HE22 GLN 38 16.894 -21.681 5.697 207 H LEU 39 H LEU 39 11.611 -19.763 3.636 208 HA LEU 39 HA LEU 39 9.024 -20.803 3.043 209 HB2 LEU 39 HB2 LEU 39 9.922 -18.461 4.608 210 HB3 LEU 39 HB3 LEU 39 8.264 -18.485 3.983 211 HG LEU 39 HG LEU 39 9.579 -20.445 5.847 212 HD11 LEU 39 HD11 LEU 39 9.165 -18.280 6.859 213 HD12 LEU 39 HD12 LEU 39 8.069 -19.500 7.506 214 HD13 LEU 39 HD13 LEU 39 7.491 -18.334 6.313 215 HD21 LEU 39 HD21 LEU 39 7.920 -21.558 4.491 216 HD22 LEU 39 HD22 LEU 39 6.770 -20.262 4.805 217 HD23 LEU 39 HD23 LEU 39 7.284 -21.319 6.121 218 H HIS 40 H HIS 40 9.546 -20.931 0.917 219 HA HIS 40 HA HIS 40 9.676 -18.599 -0.798 220 HB2 HIS 40 HB2 HIS 40 10.759 -20.944 -1.166 221 HB3 HIS 40 HB3 HIS 40 9.138 -21.495 -1.532 222 HD1 HIS 40 HD1 HIS 40 8.204 -20.876 -4.022 223 HD2 HIS 40 HD2 HIS 40 11.960 -19.300 -3.078 224 HE1 HIS 40 HE1 HIS 40 9.151 -20.263 -6.091 225 H GLU 41 H GLU 41 7.793 -18.470 -2.511 226 HA GLU 41 HA GLU 41 5.365 -18.030 -1.231 227 HB2 GLU 41 HB2 GLU 41 5.423 -18.784 -4.144 228 HB3 GLU 41 HB3 GLU 41 4.438 -17.580 -3.342 229 HG2 GLU 41 HG2 GLU 41 7.334 -17.382 -4.128 230 HG3 GLU 41 HG3 GLU 41 5.978 -16.459 -4.754 231 H GLU 42 H GLU 42 6.369 -20.741 -3.200 232 HA GLU 42 HA GLU 42 3.978 -22.273 -2.978 233 HB2 GLU 42 HB2 GLU 42 6.704 -22.822 -4.095 234 HB3 GLU 42 HB3 GLU 42 5.471 -24.037 -4.176 235 HG2 GLU 42 HG2 GLU 42 5.605 -22.921 -6.279 236 HG3 GLU 42 HG3 GLU 42 4.096 -22.422 -5.516 237 H SER 43 H SER 43 6.139 -21.790 -0.570 238 HA SER 43 HA SER 43 6.601 -24.494 0.194 239 HB2 SER 43 HB2 SER 43 6.843 -21.930 1.779 240 HB3 SER 43 HB3 SER 43 7.386 -23.513 2.334 241 HG SER 43 HG SER 43 9.161 -22.918 1.417 242 H ASN 44 H ASN 44 5.119 -25.802 0.915 243 HA ASN 44 HA ASN 44 2.567 -25.067 1.920 244 HB2 ASN 44 HB2 ASN 44 3.122 -27.355 0.981 245 HB3 ASN 44 HB3 ASN 44 4.089 -27.671 2.408 246 HD21 ASN 44 HD21 ASN 44 1.888 -29.178 1.484 247 HD22 ASN 44 HD22 ASN 44 0.660 -29.139 2.699 248 H LEU 45 H LEU 45 2.135 -24.240 3.857 249 HA LEU 45 HA LEU 45 4.321 -23.741 5.636 250 HB2 LEU 45 HB2 LEU 45 1.399 -23.171 5.997 251 HB3 LEU 45 HB3 LEU 45 2.684 -22.582 7.037 252 HG LEU 45 HG LEU 45 2.222 -21.894 4.162 253 HD11 LEU 45 HD11 LEU 45 1.848 -19.625 5.061 254 HD12 LEU 45 HD12 LEU 45 2.082 -20.258 6.691 255 HD13 LEU 45 HD13 LEU 45 0.700 -20.792 5.731 256 HD21 LEU 45 HD21 LEU 45 4.429 -21.019 6.026 257 HD22 LEU 45 HD22 LEU 45 4.124 -20.328 4.430 258 HD23 LEU 45 HD23 LEU 45 4.612 -22.014 4.587 259 H ILE 46 H ILE 46 1.580 -25.815 5.638 260 HA ILE 46 HA ILE 46 1.777 -26.738 8.314 261 HB ILE 46 HB ILE 46 0.641 -28.005 5.826 262 HG12 ILE 46 HG12 ILE 46 -0.618 -26.554 8.164 263 HG13 ILE 46 HG11 ILE 46 -0.493 -26.026 6.487 264 HG21 ILE 46 HG21 ILE 46 1.247 -29.807 7.266 265 HG22 ILE 46 HG22 ILE 46 -0.512 -29.640 7.275 266 HG23 ILE 46 HG23 ILE 46 0.441 -29.057 8.648 267 HD11 ILE 46 HD11 ILE 46 -2.759 -26.771 7.038 268 HD12 ILE 46 HD12 ILE 46 -2.132 -28.359 7.478 269 HD13 ILE 46 HD13 ILE 46 -2.027 -27.803 5.808 270 H GLN 47 H GLN 47 3.238 -27.641 5.349 271 HA GLN 47 HA GLN 47 4.458 -30.032 6.377 272 HB2 GLN 47 HB2 GLN 47 3.581 -29.462 3.996 273 HB3 GLN 47 HB3 GLN 47 5.141 -28.673 3.818 274 HG2 GLN 47 HG2 GLN 47 6.261 -30.745 4.289 275 HG3 GLN 47 HG3 GLN 47 4.665 -31.503 4.522 276 HE21 GLN 47 HE21 GLN 47 6.823 -32.071 2.568 277 HE22 GLN 47 HE22 GLN 47 6.061 -31.964 1.014 278 H ALA 48 H ALA 48 5.119 -26.749 6.450 279 HA ALA 48 HA ALA 48 8.017 -27.041 6.597 280 HB1 ALA 48 HB1 ALA 48 6.303 -24.536 6.687 281 HB2 ALA 48 HB2 ALA 48 7.108 -25.172 5.264 282 HB3 ALA 48 HB3 ALA 48 8.063 -24.587 6.622 283 H GLY 49 H GLY 49 5.243 -26.014 8.539 284 HA2 GLY 49 HA2 GLY 49 5.868 -27.120 10.911 285 HA3 GLY 49 HA3 GLY 49 6.863 -25.669 10.904 286 H LEU 50 H LEU 50 3.518 -26.465 9.950 287 HA LEU 50 HA LEU 50 2.574 -24.256 11.670 288 HB2 LEU 50 HB2 LEU 50 2.740 -23.782 9.092 289 HB3 LEU 50 HB3 LEU 50 1.363 -24.850 8.991 290 HG LEU 50 HG LEU 50 0.346 -23.219 10.772 291 HD11 LEU 50 HD11 LEU 50 2.434 -21.964 11.053 292 HD12 LEU 50 HD12 LEU 50 1.094 -20.943 10.529 293 HD13 LEU 50 HD13 LEU 50 2.328 -21.442 9.374 294 HD21 LEU 50 HD21 LEU 50 -0.624 -21.903 8.966 295 HD22 LEU 50 HD22 LEU 50 -0.549 -23.611 8.529 296 HD23 LEU 50 HD23 LEU 50 0.625 -22.474 7.864 297 H ASP 51 H ASP 51 1.277 -25.176 13.111 298 HA ASP 51 HA ASP 51 -0.114 -27.619 12.576 299 HB2 ASP 51 HB2 ASP 51 -0.986 -27.173 14.916 300 HB3 ASP 51 HB3 ASP 51 0.769 -27.300 14.805 301 HA 4HH 52 HA 4HH 52 -3.550 -25.371 11.595 302 H 4HH 52 H 4HH 52 -2.632 -27.230 13.643 303 HB3 4HH 52 HB3 4HH 52 -4.415 -27.720 11.289 304 HB2 4HH 52 HB2 4HH 52 -5.649 -26.501 11.566 305 HJ3 4HH 52 HJ3 4HH 52 -8.096 -26.591 14.596 306 HJ2 4HH 52 HJ2 4HH 52 -9.133 -27.856 13.963 307 HL13 4HH 52 HL13 4HH 52 -11.181 -25.637 11.694 308 HL12 4HH 52 HL12 4HH 52 -9.663 -26.262 11.220 309 HL11 4HH 52 HL11 4HH 52 -10.709 -27.336 12.033 310 HL21 4HH 52 HL21 4HH 52 -8.371 -24.315 13.963 311 HL23 4HH 52 HL23 4HH 52 -8.477 -24.601 12.242 312 HL22 4HH 52 HL22 4HH 52 -9.765 -23.739 13.008 313 HL3 4HH 52 HL3 4HH 52 -11.411 -26.652 14.600 314 HM 4HH 52 HM 4HH 52 -10.566 -24.725 16.109 315 HN 4HH 52 HN 4HH 52 -11.080 -22.851 14.894 316 HO2 4HH 52 HO2 4HH 52 -13.548 -23.688 16.145 317 HO3 4HH 52 HO3 4HH 52 -12.098 -24.124 17.096 318 HP3 4HH 52 HP3 4HH 52 -11.524 -21.633 16.862 319 HP2 4HH 52 HP2 4HH 52 -12.843 -22.121 17.963 320 HS2 4HH 52 HS2 4HH 52 -14.170 -20.876 13.564 321 HS3 4HH 52 HS3 4HH 52 -12.569 -21.669 13.685 322 HT3 4HH 52 HT3 4HH 52 -12.779 -19.915 11.926 323 HT2 4HH 52 HT2 4HH 52 -11.466 -19.686 13.085 324 HR 4HH 52 HR 4HH 52 -12.695 -19.482 15.447 325 HU 4HH 52 HU 4HH 52 -14.455 -18.079 13.370 326 H ILE 53 H ILE 53 -2.965 -25.394 14.702 327 HA ILE 53 HA ILE 53 -5.156 -23.656 15.401 328 HB ILE 53 HB ILE 53 -2.548 -24.175 16.837 329 HG12 ILE 53 HG12 ILE 53 -3.970 -26.150 16.809 330 HG13 ILE 53 HG11 ILE 53 -3.981 -25.465 18.425 331 HG21 ILE 53 HG21 ILE 53 -5.003 -22.655 17.798 332 HG22 ILE 53 HG22 ILE 53 -3.477 -21.927 17.356 333 HG23 ILE 53 HG23 ILE 53 -3.565 -22.985 18.774 334 HD11 ILE 53 HD11 ILE 53 -6.167 -25.191 16.372 335 HD12 ILE 53 HD12 ILE 53 -6.167 -24.450 17.969 336 HD13 ILE 53 HD13 ILE 53 -6.189 -26.206 17.814 337 H ARG 54 H ARG 54 -1.738 -23.475 14.622 338 HA ARG 54 HA ARG 54 -1.384 -20.737 14.379 339 HB2 ARG 54 HB2 ARG 54 -0.211 -23.068 13.032 340 HB3 ARG 54 HB3 ARG 54 0.132 -21.443 12.446 341 HG2 ARG 54 HG2 ARG 54 0.844 -20.865 14.730 342 HG3 ARG 54 HG3 ARG 54 0.663 -22.582 15.144 343 HD2 ARG 54 HD2 ARG 54 2.165 -23.200 13.421 344 HD3 ARG 54 HD3 ARG 54 2.140 -21.498 12.907 345 HE ARG 54 HE ARG 54 3.552 -20.910 14.546 346 HH11 ARG 54 HH11 ARG 54 2.677 -24.268 15.233 347 HH12 ARG 54 HH12 ARG 54 4.186 -24.767 15.797 348 HH21 ARG 54 HH21 ARG 54 5.794 -21.597 15.369 349 HH22 ARG 54 HH22 ARG 54 6.009 -23.185 15.890 350 H LEU 55 H LEU 55 -2.539 -23.064 11.993 351 HA LEU 55 HA LEU 55 -2.909 -21.380 9.801 352 HB2 LEU 55 HB2 LEU 55 -3.099 -23.931 10.009 353 HB3 LEU 55 HB3 LEU 55 -4.729 -23.660 10.564 354 HG LEU 55 HG LEU 55 -4.845 -24.346 8.321 355 HD11 LEU 55 HD11 LEU 55 -6.427 -22.650 8.779 356 HD12 LEU 55 HD12 LEU 55 -5.894 -22.577 7.098 357 HD13 LEU 55 HD13 LEU 55 -5.288 -21.399 8.271 358 HD21 LEU 55 HD21 LEU 55 -2.611 -23.988 7.661 359 HD22 LEU 55 HD22 LEU 55 -2.860 -22.231 7.625 360 HD23 LEU 55 HD23 LEU 55 -3.721 -23.280 6.480 361 H MET 56 H MET 56 -5.361 -22.322 12.263 362 HA MET 56 HA MET 56 -7.292 -20.563 11.207 363 HB2 MET 56 HB2 MET 56 -7.939 -22.383 12.648 364 HB3 MET 56 HB3 MET 56 -7.121 -21.605 14.003 365 HG2 MET 56 HG2 MET 56 -8.634 -19.573 13.399 366 HG3 MET 56 HG3 MET 56 -9.644 -20.784 12.603 367 HE1 MET 56 HE1 MET 56 -7.818 -19.658 15.575 368 HE2 MET 56 HE2 MET 56 -7.508 -21.389 15.849 369 HE3 MET 56 HE3 MET 56 -8.530 -20.485 16.983 370 H ARG 57 H ARG 57 -4.861 -20.066 13.763 371 HA ARG 57 HA ARG 57 -6.026 -17.705 14.379 372 HB2 ARG 57 HB2 ARG 57 -3.916 -16.954 15.477 373 HB3 ARG 57 HB3 ARG 57 -4.738 -18.387 16.044 374 HG2 ARG 57 HG2 ARG 57 -3.077 -19.721 14.862 375 HG3 ARG 57 HG3 ARG 57 -2.202 -18.214 14.487 376 HD2 ARG 57 HD2 ARG 57 -2.133 -17.627 16.743 377 HD3 ARG 57 HD3 ARG 57 -3.175 -18.995 17.119 378 HE ARG 57 HE ARG 57 -1.378 -20.493 16.785 379 HH11 ARG 57 HH11 ARG 57 -0.279 -17.112 16.599 380 HH12 ARG 57 HH12 ARG 57 1.375 -17.497 16.667 381 HH21 ARG 57 HH21 ARG 57 0.935 -20.987 17.087 382 HH22 ARG 57 HH22 ARG 57 2.057 -19.707 17.027 383 H TRP 58 H TRP 58 -3.956 -18.585 11.820 384 HA TRP 58 HA TRP 58 -3.336 -15.965 10.889 385 HB2 TRP 58 HB2 TRP 58 -3.344 -18.685 9.621 386 HB3 TRP 58 HB3 TRP 58 -3.161 -17.269 8.603 387 HD1 TRP 58 HD1 TRP 58 -1.107 -19.713 10.316 388 HE1 TRP 58 HE1 TRP 58 1.278 -18.801 10.712 389 HE3 TRP 58 HE3 TRP 58 -1.989 -14.800 9.416 390 HZ2 TRP 58 HZ2 TRP 58 2.587 -16.287 10.623 391 HZ3 TRP 58 HZ3 TRP 58 -0.148 -13.209 9.583 392 HH2 TRP 58 HH2 TRP 58 2.065 -13.917 10.162 393 H LEU 59 H LEU 59 -5.910 -18.245 10.340 394 HA LEU 59 HA LEU 59 -7.328 -16.868 8.373 395 HB2 LEU 59 HB2 LEU 59 -7.693 -19.244 9.010 396 HB3 LEU 59 HB3 LEU 59 -8.419 -18.717 10.503 397 HG LEU 59 HG LEU 59 -10.005 -19.528 8.731 398 HD11 LEU 59 HD11 LEU 59 -10.432 -16.742 9.726 399 HD12 LEU 59 HD12 LEU 59 -10.830 -18.237 10.574 400 HD13 LEU 59 HD13 LEU 59 -11.686 -17.807 9.085 401 HD21 LEU 59 HD21 LEU 59 -8.917 -18.529 6.794 402 HD22 LEU 59 HD22 LEU 59 -9.311 -16.917 7.399 403 HD23 LEU 59 HD23 LEU 59 -10.600 -18.019 6.917 404 H HIS 60 H HIS 60 -7.622 -16.651 11.916 405 HA HIS 60 HA HIS 60 -9.674 -14.691 11.606 406 HB2 HIS 60 HB2 HIS 60 -9.794 -14.486 14.059 407 HB3 HIS 60 HB3 HIS 60 -9.661 -16.172 13.600 408 HD1 HIS 60 HD1 HIS 60 -8.918 -16.740 16.018 409 HD2 HIS 60 HD2 HIS 60 -6.389 -14.217 13.946 410 HE1 HIS 60 HE1 HIS 60 -6.830 -16.586 17.416 411 H TRP 61 H TRP 61 -6.336 -14.585 11.596 412 HA TRP 61 HA TRP 61 -5.963 -11.820 12.191 413 HB2 TRP 61 HB2 TRP 61 -4.168 -13.484 12.413 414 HB3 TRP 61 HB3 TRP 61 -4.299 -13.878 10.715 415 HD1 TRP 61 HD1 TRP 61 -2.945 -11.147 13.063 416 HE1 TRP 61 HE1 TRP 61 -1.113 -9.849 11.781 417 HE3 TRP 61 HE3 TRP 61 -3.560 -13.222 8.443 418 HZ2 TRP 61 HZ2 TRP 61 -0.078 -9.736 9.140 419 HZ3 TRP 61 HZ3 TRP 61 -2.110 -12.477 6.613 420 HH2 TRP 61 HH2 TRP 61 -0.412 -10.770 6.968 421 H PHE 62 H PHE 62 -6.888 -13.700 9.427 422 HA PHE 62 HA PHE 62 -6.662 -11.508 7.611 423 HB2 PHE 62 HB2 PHE 62 -8.040 -14.187 7.332 424 HB3 PHE 62 HB3 PHE 62 -8.087 -12.971 6.070 425 HD1 PHE 62 HD2 PHE 62 -5.612 -11.965 5.579 426 HD2 PHE 62 HD1 PHE 62 -6.507 -15.850 7.020 427 HE1 PHE 62 HE2 PHE 62 -3.479 -12.787 4.688 428 HE2 PHE 62 HE1 PHE 62 -4.371 -16.673 6.138 429 HZ PHE 62 HZ PHE 62 -2.861 -15.143 4.967 430 H ARG 63 H ARG 63 -9.006 -12.544 9.883 431 HA ARG 63 HA ARG 63 -11.257 -11.098 8.852 432 HB2 ARG 63 HB2 ARG 63 -10.617 -12.424 11.411 433 HB3 ARG 63 HB3 ARG 63 -11.714 -11.058 11.553 434 HG2 ARG 63 HG2 ARG 63 -12.919 -13.152 11.355 435 HG3 ARG 63 HG3 ARG 63 -13.224 -12.117 9.961 436 HD2 ARG 63 HD2 ARG 63 -11.522 -13.389 8.708 437 HD3 ARG 63 HD3 ARG 63 -11.349 -14.463 10.095 438 HE ARG 63 HE ARG 63 -13.979 -14.505 9.615 439 HH11 ARG 63 HH11 ARG 63 -11.147 -15.053 7.588 440 HH12 ARG 63 HH12 ARG 63 -11.937 -16.183 6.565 441 HH21 ARG 63 HH21 ARG 63 -15.067 -16.058 8.137 442 HH22 ARG 63 HH22 ARG 63 -14.141 -16.714 6.856 443 H LYS 64 H LYS 64 -8.524 -10.330 10.721 444 HA LYS 64 HA LYS 64 -9.146 -7.788 11.687 445 HB2 LYS 64 HB2 LYS 64 -7.193 -8.305 12.620 446 HB3 LYS 64 HB3 LYS 64 -6.900 -9.551 11.434 447 HG2 LYS 64 HG2 LYS 64 -5.971 -7.773 9.925 448 HG3 LYS 64 HG3 LYS 64 -6.084 -6.660 11.290 449 HD2 LYS 64 HD2 LYS 64 -4.637 -8.057 12.603 450 HD3 LYS 64 HD3 LYS 64 -4.601 -9.280 11.353 451 HE2 LYS 64 HE2 LYS 64 -3.525 -6.450 11.073 452 HE3 LYS 64 HE3 LYS 64 -2.545 -7.893 11.308 453 HZ1 LYS 64 HZ1 LYS 64 -4.252 -7.334 8.908 454 HZ2 LYS 64 HZ2 LYS 64 -3.331 -8.710 9.119 455 HZ3 LYS 64 HZ3 LYS 64 -2.587 -7.270 8.936 456 H ASN 65 H ASN 65 -8.404 -8.891 8.499 457 HA ASN 65 HA ASN 65 -8.026 -6.138 7.505 458 HB2 ASN 65 HB2 ASN 65 -7.554 -8.771 6.106 459 HB3 ASN 65 HB3 ASN 65 -7.236 -7.184 5.435 460 HD21 ASN 65 HD21 ASN 65 -5.513 -9.476 5.893 461 HD22 ASN 65 HD22 ASN 65 -4.180 -8.873 6.790 462 H GLY 66 H GLY 66 -10.452 -8.095 8.146 463 HA2 GLY 66 HA2 GLY 66 -12.614 -8.290 7.400 464 HA3 GLY 66 HA3 GLY 66 -12.267 -6.973 6.291 465 H TYR 67 H TYR 67 -10.491 -10.008 6.269 466 HA TYR 67 HA TYR 67 -11.192 -10.375 3.515 467 HB2 TYR 67 HB2 TYR 67 -9.419 -11.791 5.394 468 HB3 TYR 67 HB3 TYR 67 -9.878 -12.584 3.893 469 HD1 TYR 67 HD2 TYR 67 -9.681 -10.743 1.832 470 HD2 TYR 67 HD1 TYR 67 -7.344 -10.893 5.362 471 HE1 TYR 67 HE2 TYR 67 -7.836 -9.614 0.662 472 HE2 TYR 67 HE1 TYR 67 -5.493 -9.771 4.177 473 HH TYR 67 HH TYR 67 -4.706 -9.423 2.005 474 H ARG 68 H ARG 68 -12.611 -11.600 2.657 475 HA ARG 68 HA ARG 68 -14.189 -13.357 4.328 476 HB2 ARG 68 HB2 ARG 68 -14.553 -12.411 1.483 477 HB3 ARG 68 HB3 ARG 68 -15.647 -13.545 2.217 478 HG2 ARG 68 HG2 ARG 68 -16.862 -11.830 2.907 479 HG3 ARG 68 HG3 ARG 68 -15.532 -11.357 3.966 480 HD2 ARG 68 HD2 ARG 68 -15.668 -10.639 1.087 481 HD3 ARG 68 HD3 ARG 68 -16.394 -9.604 2.322 482 HE ARG 68 HE ARG 68 -14.061 -9.490 3.278 483 HH11 ARG 68 HH11 ARG 68 -14.506 -9.999 -0.232 484 HH12 ARG 68 HH12 ARG 68 -13.015 -9.237 -0.608 485 HH21 ARG 68 HH21 ARG 68 -12.093 -8.449 2.669 486 HH22 ARG 68 HH22 ARG 68 -11.637 -8.366 1.014 487 H LEU 69 H LEU 69 -12.667 -14.894 4.650 488 HA LEU 69 HA LEU 69 -12.063 -16.676 2.369 489 HB2 LEU 69 HB2 LEU 69 -10.356 -16.089 4.799 490 HB3 LEU 69 HB3 LEU 69 -10.009 -17.325 3.615 491 HG LEU 69 HG LEU 69 -10.069 -14.366 3.018 492 HD11 LEU 69 HD11 LEU 69 -8.245 -14.940 4.553 493 HD12 LEU 69 HD12 LEU 69 -7.630 -14.538 2.951 494 HD13 LEU 69 HD13 LEU 69 -7.729 -16.223 3.458 495 HD21 LEU 69 HD21 LEU 69 -8.938 -15.036 0.961 496 HD22 LEU 69 HD22 LEU 69 -10.540 -15.762 1.091 497 HD23 LEU 69 HD23 LEU 69 -9.102 -16.729 1.430 498 H THR 70 H THR 70 -12.474 -18.849 2.797 499 HA THR 70 HA THR 70 -13.877 -19.371 5.271 500 HB THR 70 HB THR 70 -13.208 -21.388 3.176 501 HG1 THR 70 HG1 THR 70 -14.091 -19.757 1.950 502 HG21 THR 70 HG21 THR 70 -15.419 -22.301 3.802 503 HG22 THR 70 HG22 THR 70 -15.631 -20.966 4.935 504 HG23 THR 70 HG23 THR 70 -14.350 -22.148 5.197 505 H LEU 71 H LEU 71 -13.099 -20.811 6.771 506 HA LEU 71 HA LEU 71 -10.342 -20.782 7.244 507 HB2 LEU 71 HB2 LEU 71 -11.917 -20.894 9.058 508 HB3 LEU 71 HB3 LEU 71 -12.551 -22.413 8.481 509 HG LEU 71 HG LEU 71 -10.522 -23.566 9.163 510 HD11 LEU 71 HD11 LEU 71 -8.771 -22.413 10.436 511 HD12 LEU 71 HD12 LEU 71 -9.558 -20.878 10.173 512 HD13 LEU 71 HD13 LEU 71 -8.878 -21.775 8.796 513 HD21 LEU 71 HD21 LEU 71 -12.349 -23.208 10.777 514 HD22 LEU 71 HD22 LEU 71 -11.477 -21.779 11.384 515 HD23 LEU 71 HD23 LEU 71 -10.759 -23.367 11.505 516 H ARG 72 H ARG 72 -12.372 -23.367 5.974 517 HA ARG 72 HA ARG 72 -10.136 -25.056 5.854 518 HB2 ARG 72 HB2 ARG 72 -12.937 -25.550 4.988 519 HB3 ARG 72 HB3 ARG 72 -11.652 -26.634 4.494 520 HG2 ARG 72 HG2 ARG 72 -12.142 -25.904 7.383 521 HG3 ARG 72 HG3 ARG 72 -12.936 -27.275 6.593 522 HD2 ARG 72 HD2 ARG 72 -10.948 -28.353 6.186 523 HD3 ARG 72 HD3 ARG 72 -9.994 -26.907 6.469 524 HE ARG 72 HE ARG 72 -11.324 -27.636 8.869 525 HH11 ARG 72 HH11 ARG 72 -8.670 -29.008 6.894 526 HH12 ARG 72 HH12 ARG 72 -7.736 -29.465 8.249 527 HH21 ARG 72 HH21 ARG 72 -9.917 -28.335 10.744 528 HH22 ARG 72 HH22 ARG 72 -8.416 -29.028 10.452 529 H GLU 73 H GLU 73 -10.986 -22.621 3.733 530 HA GLU 73 HA GLU 73 -10.084 -23.802 1.364 531 HB2 GLU 73 HB2 GLU 73 -10.133 -20.910 2.246 532 HB3 GLU 73 HB3 GLU 73 -9.508 -21.378 0.675 533 HG2 GLU 73 HG2 GLU 73 -11.615 -22.274 0.058 534 HG3 GLU 73 HG3 GLU 73 -12.316 -21.915 1.636 535 H LEU 74 H LEU 74 -8.440 -21.880 3.846 536 HA LEU 74 HA LEU 74 -5.903 -21.986 2.666 537 HB2 LEU 74 HB2 LEU 74 -6.688 -21.512 5.539 538 HB3 LEU 74 HB3 LEU 74 -5.043 -21.374 4.962 539 HG LEU 74 HG LEU 74 -5.928 -19.557 3.396 540 HD11 LEU 74 HD11 LEU 74 -7.881 -18.416 4.170 541 HD12 LEU 74 HD12 LEU 74 -8.142 -19.770 5.307 542 HD13 LEU 74 HD13 LEU 74 -8.215 -20.052 3.543 543 HD21 LEU 74 HD21 LEU 74 -5.888 -17.862 5.130 544 HD22 LEU 74 HD22 LEU 74 -4.585 -19.036 5.267 545 HD23 LEU 74 HD23 LEU 74 -5.982 -19.125 6.368 546 H TYR 75 H TYR 75 -7.718 -24.190 4.477 547 HA TYR 75 HA TYR 75 -5.524 -25.814 5.359 548 HB2 TYR 75 HB2 TYR 75 -8.473 -25.959 5.646 549 HB3 TYR 75 HB3 TYR 75 -7.591 -27.489 5.808 550 HD1 TYR 75 HD1 TYR 75 -5.447 -27.034 7.265 551 HD2 TYR 75 HD2 TYR 75 -9.115 -24.969 7.386 552 HE1 TYR 75 HE1 TYR 75 -5.062 -26.457 9.607 553 HE2 TYR 75 HE2 TYR 75 -8.751 -24.385 9.689 554 HH TYR 75 HH TYR 75 -7.359 -25.483 11.587 555 H ALA 76 H ALA 76 -7.251 -25.481 2.479 556 HA ALA 76 HA ALA 76 -6.629 -28.169 1.666 557 HB1 ALA 76 HB1 ALA 76 -7.957 -25.930 0.129 558 HB2 ALA 76 HB2 ALA 76 -8.783 -27.227 0.990 559 HB3 ALA 76 HB3 ALA 76 -7.801 -27.597 -0.429 560 H ALA 77 H ALA 77 -5.653 -24.862 1.111 561 HA ALA 77 HA ALA 77 -3.207 -25.865 -0.119 562 HB1 ALA 77 HB1 ALA 77 -4.761 -23.489 -1.160 563 HB2 ALA 77 HB2 ALA 77 -4.640 -25.061 -1.952 564 HB3 ALA 77 HB3 ALA 77 -3.202 -24.056 -1.760 565 HA PRO 78 HA PRO 78 -2.144 -22.797 3.050 566 HB2 PRO 78 HB2 PRO 78 -0.463 -24.512 4.454 567 HB3 PRO 78 HB3 PRO 78 -2.176 -24.242 4.831 568 HG2 PRO 78 HG2 PRO 78 -1.012 -26.644 3.893 569 HG3 PRO 78 HG3 PRO 78 -2.732 -26.295 4.137 570 HD2 PRO 78 HD2 PRO 78 -1.159 -26.276 1.631 571 HD3 PRO 78 HD3 PRO 78 -2.895 -26.563 1.888 572 H THR 79 H THR 79 -0.997 -21.771 1.345 573 HA THR 79 HA THR 79 1.888 -22.066 1.495 574 HB THR 79 HB THR 79 1.989 -21.801 -1.038 575 HG1 THR 79 HG1 THR 79 -0.672 -22.765 -0.938 576 HG21 THR 79 HG21 THR 79 1.651 -24.189 -1.577 577 HG22 THR 79 HG22 THR 79 0.778 -24.395 -0.057 578 HG23 THR 79 HG23 THR 79 2.497 -23.990 -0.039 579 H LEU 80 H LEU 80 2.856 -20.017 1.068 580 HA LEU 80 HA LEU 80 1.172 -17.814 1.501 581 HB2 LEU 80 HB2 LEU 80 4.058 -18.171 0.986 582 HB3 LEU 80 HB3 LEU 80 3.404 -16.587 0.623 583 HG LEU 80 HG LEU 80 3.264 -17.946 3.342 584 HD11 LEU 80 HD11 LEU 80 4.743 -16.111 3.993 585 HD12 LEU 80 HD12 LEU 80 4.977 -15.707 2.295 586 HD13 LEU 80 HD13 LEU 80 5.529 -17.277 2.923 587 HD21 LEU 80 HD21 LEU 80 2.661 -15.673 4.055 588 HD22 LEU 80 HD22 LEU 80 1.396 -16.500 3.135 589 HD23 LEU 80 HD23 LEU 80 2.399 -15.248 2.372 590 H ALA 81 H ALA 81 2.450 -19.223 -1.412 591 HA ALA 81 HA ALA 81 1.864 -17.232 -3.266 592 HB1 ALA 81 HB1 ALA 81 1.629 -20.215 -3.665 593 HB2 ALA 81 HB2 ALA 81 3.119 -19.285 -3.795 594 HB3 ALA 81 HB3 ALA 81 1.803 -19.004 -4.936 595 H ALA 82 H ALA 82 -0.213 -20.011 -2.351 596 HA ALA 82 HA ALA 82 -2.391 -19.053 -3.887 597 HB1 ALA 82 HB1 ALA 82 -2.177 -21.430 -3.322 598 HB2 ALA 82 HB2 ALA 82 -3.735 -20.730 -2.858 599 HB3 ALA 82 HB3 ALA 82 -2.511 -21.036 -1.624 600 H TRP 83 H TRP 83 -1.517 -18.731 -0.493 601 HA TRP 83 HA TRP 83 -3.920 -17.580 0.347 602 HB2 TRP 83 HB2 TRP 83 -1.123 -17.347 1.395 603 HB3 TRP 83 HB3 TRP 83 -2.477 -16.514 2.149 604 HD1 TRP 83 HD1 TRP 83 -3.476 -19.902 0.887 605 HE1 TRP 83 HE1 TRP 83 -3.621 -21.532 2.809 606 HE3 TRP 83 HE3 TRP 83 -1.325 -17.030 4.371 607 HZ2 TRP 83 HZ2 TRP 83 -2.974 -21.569 5.546 608 HZ3 TRP 83 HZ3 TRP 83 -1.142 -17.902 6.727 609 HH2 TRP 83 HH2 TRP 83 -1.994 -20.159 7.258 610 H ASN 84 H ASN 84 -0.944 -16.053 -0.725 611 HA ASN 84 HA ASN 84 -1.648 -13.385 -0.753 612 HB2 ASN 84 HB2 ASN 84 0.558 -14.117 -1.480 613 HB3 ASN 84 HB3 ASN 84 -0.133 -14.900 -2.894 614 HD21 ASN 84 HD21 ASN 84 0.756 -11.887 -1.442 615 HD22 ASN 84 HD22 ASN 84 0.618 -10.940 -2.887 616 H GLN 85 H GLN 85 -2.342 -15.770 -3.250 617 HA GLN 85 HA GLN 85 -3.787 -14.072 -4.973 618 HB2 GLN 85 HB2 GLN 85 -3.917 -17.082 -4.630 619 HB3 GLN 85 HB3 GLN 85 -4.652 -16.201 -5.964 620 HG2 GLN 85 HG2 GLN 85 -1.709 -16.331 -5.323 621 HG3 GLN 85 HG3 GLN 85 -2.532 -17.216 -6.604 622 HE21 GLN 85 HE21 GLN 85 -1.307 -14.087 -5.584 623 HE22 GLN 85 HE22 GLN 85 -1.500 -13.355 -7.126 624 H LEU 86 H LEU 86 -4.841 -16.267 -2.385 625 HA LEU 86 HA LEU 86 -7.622 -15.892 -2.601 626 HB2 LEU 86 HB2 LEU 86 -5.978 -16.528 -0.159 627 HB3 LEU 86 HB3 LEU 86 -7.717 -16.653 -0.256 628 HG LEU 86 HG LEU 86 -5.739 -18.331 -1.814 629 HD11 LEU 86 HD11 LEU 86 -5.828 -18.824 0.579 630 HD12 LEU 86 HD12 LEU 86 -6.492 -20.133 -0.415 631 HD13 LEU 86 HD13 LEU 86 -7.583 -19.029 0.435 632 HD21 LEU 86 HD21 LEU 86 -7.821 -18.021 -3.072 633 HD22 LEU 86 HD22 LEU 86 -8.737 -18.515 -1.635 634 HD23 LEU 86 HD23 LEU 86 -7.668 -19.663 -2.429 635 H MET 87 H MET 87 -5.147 -13.833 -1.384 636 HA MET 87 HA MET 87 -6.831 -12.376 0.476 637 HB2 MET 87 HB2 MET 87 -3.947 -12.027 -0.395 638 HB3 MET 87 HB3 MET 87 -4.743 -10.932 0.713 639 HG2 MET 87 HG2 MET 87 -4.976 -12.708 2.342 640 HG3 MET 87 HG3 MET 87 -4.338 -13.880 1.194 641 HE1 MET 87 HE1 MET 87 -3.512 -10.895 3.613 642 HE2 MET 87 HE2 MET 87 -3.014 -10.166 2.082 643 HE3 MET 87 HE3 MET 87 -1.808 -10.604 3.289 644 H LEU 88 H LEU 88 -4.839 -11.751 -2.356 645 HA LEU 88 HA LEU 88 -5.698 -9.178 -2.661 646 HB2 LEU 88 HB2 LEU 88 -3.596 -9.670 -3.378 647 HB3 LEU 88 HB3 LEU 88 -4.098 -11.152 -4.170 648 HG LEU 88 HG LEU 88 -5.315 -9.993 -5.606 649 HD11 LEU 88 HD11 LEU 88 -3.922 -7.472 -4.457 650 HD12 LEU 88 HD12 LEU 88 -5.653 -7.761 -4.500 651 HD13 LEU 88 HD13 LEU 88 -4.785 -7.410 -5.991 652 HD21 LEU 88 HD21 LEU 88 -2.410 -9.284 -5.633 653 HD22 LEU 88 HD22 LEU 88 -3.431 -9.115 -7.054 654 HD23 LEU 88 HD23 LEU 88 -3.188 -10.727 -6.312 655 H SER 89 H SER 89 -6.778 -12.242 -4.165 656 HA SER 89 HA SER 89 -8.195 -10.865 -6.160 657 HB2 SER 89 HB2 SER 89 -8.616 -13.712 -5.222 658 HB3 SER 89 HB3 SER 89 -9.166 -13.036 -6.756 659 HG SER 89 HG SER 89 -6.586 -13.658 -5.887 660 H ARG 90 H ARG 90 -8.779 -10.992 -2.946 661 HA ARG 90 HA ARG 90 -11.649 -10.540 -3.284 662 HB2 ARG 90 HB2 ARG 90 -10.255 -11.785 -0.892 663 HB3 ARG 90 HB3 ARG 90 -11.984 -11.458 -1.011 664 HG2 ARG 90 HG2 ARG 90 -12.188 -13.011 -2.859 665 HG3 ARG 90 HG3 ARG 90 -10.453 -13.291 -2.841 666 HD2 ARG 90 HD2 ARG 90 -10.693 -14.155 -0.547 667 HD3 ARG 90 HD3 ARG 90 -12.453 -14.036 -0.721 668 HE ARG 90 HE ARG 90 -11.298 -15.419 -2.891 669 HH11 ARG 90 HH11 ARG 90 -12.440 -16.026 0.447 670 HH12 ARG 90 HH12 ARG 90 -12.382 -17.734 0.254 671 HH21 ARG 90 HH21 ARG 90 -11.302 -17.803 -3.067 672 HH22 ARG 90 HH22 ARG 90 -11.746 -18.696 -1.682 673 H SER 91 H SER 91 -9.072 -9.016 -3.230 674 HA SER 91 HA SER 91 -9.623 -7.006 -1.169 675 HB2 SER 91 HB2 SER 91 -7.309 -7.884 -1.160 676 HB3 SER 91 HB3 SER 91 -7.176 -7.600 -2.888 677 HG SER 91 HG SER 91 -7.390 -5.347 -2.421 678 HA PRO 92 HA PRO 92 -10.966 -4.467 -4.632 679 HB2 PRO 92 HB2 PRO 92 -10.553 -1.981 -3.605 680 HB3 PRO 92 HB3 PRO 92 -11.906 -3.003 -3.072 681 HG2 PRO 92 HG2 PRO 92 -9.309 -2.500 -1.729 682 HG3 PRO 92 HG3 PRO 92 -10.933 -2.655 -1.031 683 HD2 PRO 92 HD2 PRO 92 -9.107 -4.671 -0.993 684 HD3 PRO 92 HD3 PRO 92 -10.863 -4.937 -1.012 685 H GLU 93 H GLU 93 -9.969 -3.611 -6.389 686 HA GLU 93 HA GLU 93 -7.108 -3.132 -6.264 687 HB2 GLU 93 HB2 GLU 93 -9.005 -3.749 -8.544 688 HB3 GLU 93 HB3 GLU 93 -7.339 -3.264 -8.795 689 HG2 GLU 93 HG2 GLU 93 -8.055 -5.665 -7.137 690 HG3 GLU 93 HG3 GLU 93 -7.889 -5.758 -8.888 Start of MODEL 9 1 H ASP 14 HT1 ASP 14 4.089 -3.379 2.561 2 HA ASP 14 HA ASP 14 3.205 -1.384 1.523 3 HB2 ASP 14 HB2 ASP 14 4.758 -1.547 -0.618 4 HB3 ASP 14 HB3 ASP 14 5.450 -1.541 1.006 5 H ASN 15 H ASN 15 3.259 -3.870 -1.024 6 HA ASN 15 HA ASN 15 1.482 -2.414 -2.725 7 HB2 ASN 15 HB2 ASN 15 3.273 -3.899 -3.550 8 HB3 ASN 15 HB3 ASN 15 2.419 -5.283 -2.891 9 HD21 ASN 15 HD21 ASN 15 2.161 -6.294 -4.805 10 HD22 ASN 15 HD22 ASN 15 1.144 -5.736 -6.084 11 H ARG 16 H ARG 16 -0.557 -2.125 -1.886 12 HA ARG 16 HA ARG 16 -2.758 -2.523 -1.500 13 HB2 ARG 16 HB2 ARG 16 -2.102 -5.082 -2.953 14 HB3 ARG 16 HB3 ARG 16 -3.691 -4.856 -2.254 15 HG2 ARG 16 HG2 ARG 16 -3.824 -4.312 -4.544 16 HG3 ARG 16 HG3 ARG 16 -3.914 -2.808 -3.637 17 HD2 ARG 16 HD2 ARG 16 -1.460 -2.533 -4.060 18 HD3 ARG 16 HD3 ARG 16 -1.589 -3.930 -5.140 19 HE ARG 16 HE ARG 16 -3.545 -1.964 -5.723 20 HH11 ARG 16 HH11 ARG 16 -0.114 -2.610 -6.252 21 HH12 ARG 16 HH12 ARG 16 -0.061 -1.717 -7.710 22 HH21 ARG 16 HH21 ARG 16 -3.530 -0.857 -7.478 23 HH22 ARG 16 HH22 ARG 16 -2.172 -0.611 -8.507 24 H HIS 17 H HIS 17 -4.374 -4.377 -0.604 25 HA HIS 17 HA HIS 17 -3.681 -4.811 2.092 26 HB2 HIS 17 HB2 HIS 17 -5.854 -5.653 0.365 27 HB3 HIS 17 HB3 HIS 17 -5.389 -6.935 1.479 28 HD1 HIS 17 HD1 HIS 17 -5.250 -6.003 4.165 29 HD2 HIS 17 HD2 HIS 17 -7.588 -3.894 1.422 30 HE1 HIS 17 HE1 HIS 17 -6.907 -4.693 5.513 31 H ALA 18 H ALA 18 -2.706 -6.563 -0.624 32 HA ALA 18 HA ALA 18 -1.713 -8.834 0.613 33 HB1 ALA 18 HB1 ALA 18 -0.485 -7.333 -1.712 34 HB2 ALA 18 HB2 ALA 18 -1.712 -8.622 -1.765 35 HB3 ALA 18 HB3 ALA 18 -0.085 -8.988 -1.214 36 H ALA 19 H ALA 19 -0.802 -5.595 1.025 37 HA ALA 19 HA ALA 19 1.730 -5.628 2.117 38 HB1 ALA 19 HB1 ALA 19 0.197 -3.654 1.785 39 HB2 ALA 19 HB2 ALA 19 1.047 -3.649 3.343 40 HB3 ALA 19 HB3 ALA 19 -0.647 -4.142 3.240 41 H ASP 20 H ASP 20 -1.337 -6.839 3.500 42 HA ASP 20 HA ASP 20 -0.411 -7.359 6.122 43 HB2 ASP 20 HB2 ASP 20 -2.564 -8.743 4.485 44 HB3 ASP 20 HB3 ASP 20 -2.213 -9.177 6.144 45 H TYR 21 H TYR 21 -0.248 -9.100 3.119 46 HA TYR 21 HA TYR 21 0.726 -11.593 4.041 47 HB2 TYR 21 HB2 TYR 21 0.216 -11.913 1.842 48 HB3 TYR 21 HB3 TYR 21 0.552 -10.246 1.430 49 HD1 TYR 21 HD2 TYR 21 2.224 -13.614 1.915 50 HD2 TYR 21 HD1 TYR 21 2.552 -9.663 0.304 51 HE1 TYR 21 HE2 TYR 21 4.149 -14.286 0.690 52 HE2 TYR 21 HE1 TYR 21 4.553 -10.369 -0.929 53 HH TYR 21 HH TYR 21 5.314 -13.559 -1.395 54 H GLN 22 H GLN 22 2.275 -8.638 3.355 55 HA GLN 22 HA GLN 22 4.940 -9.472 3.533 56 HB2 GLN 22 HB2 GLN 22 4.478 -7.382 2.571 57 HB3 GLN 22 HB3 GLN 22 3.531 -6.866 3.946 58 HG2 GLN 22 HG2 GLN 22 5.466 -6.523 5.245 59 HG3 GLN 22 HG3 GLN 22 6.488 -7.307 4.039 60 HE21 GLN 22 HE21 GLN 22 6.981 -6.282 2.143 61 HE22 GLN 22 HE22 GLN 22 6.709 -4.632 1.815 62 H GLN 23 H GLN 23 2.644 -8.393 6.026 63 HA GLN 23 HA GLN 23 4.543 -8.610 8.113 64 HB2 GLN 23 HB2 GLN 23 2.370 -7.237 8.374 65 HB3 GLN 23 HB3 GLN 23 1.533 -8.753 8.335 66 HG2 GLN 23 HG2 GLN 23 1.791 -7.874 10.612 67 HG3 GLN 23 HG3 GLN 23 2.467 -9.484 10.387 68 HE21 GLN 23 HE21 GLN 23 4.731 -9.759 10.469 69 HE22 GLN 23 HE22 GLN 23 5.777 -8.595 11.128 70 H LEU 24 H LEU 24 2.002 -10.611 6.779 71 HA LEU 24 HA LEU 24 1.940 -12.836 8.472 72 HB2 LEU 24 HB2 LEU 24 0.331 -12.487 6.693 73 HB3 LEU 24 HB3 LEU 24 1.602 -12.687 5.500 74 HG LEU 24 HG LEU 24 1.907 -15.017 6.317 75 HD11 LEU 24 HD11 LEU 24 0.945 -14.812 8.514 76 HD12 LEU 24 HD12 LEU 24 0.110 -16.052 7.579 77 HD13 LEU 24 HD13 LEU 24 -0.637 -14.471 7.812 78 HD21 LEU 24 HD21 LEU 24 0.083 -15.903 5.147 79 HD22 LEU 24 HD22 LEU 24 0.616 -14.439 4.308 80 HD23 LEU 24 HD23 LEU 24 -0.851 -14.414 5.304 81 H ARG 25 H ARG 25 3.853 -12.431 5.522 82 HA ARG 25 HA ARG 25 5.079 -14.892 5.744 83 HB2 ARG 25 HB2 ARG 25 4.812 -13.535 3.689 84 HB3 ARG 25 HB3 ARG 25 6.050 -12.441 4.296 85 HG2 ARG 25 HG2 ARG 25 7.682 -14.102 4.221 86 HG3 ARG 25 HG3 ARG 25 6.444 -15.343 3.963 87 HD2 ARG 25 HD2 ARG 25 5.890 -14.328 1.819 88 HD3 ARG 25 HD3 ARG 25 7.195 -13.166 2.025 89 HE ARG 25 HE ARG 25 8.373 -15.613 2.429 90 HH11 ARG 25 HH11 ARG 25 6.765 -14.061 -0.305 91 HH12 ARG 25 HH12 ARG 25 7.492 -14.976 -1.486 92 HH21 ARG 25 HH21 ARG 25 9.494 -16.875 0.832 93 HH22 ARG 25 HH22 ARG 25 9.167 -16.612 -0.827 94 H GLU 26 H GLU 26 5.946 -11.719 6.944 95 HA GLU 26 HA GLU 26 8.563 -12.224 7.831 96 HB2 GLU 26 HB2 GLU 26 7.312 -10.044 7.561 97 HB3 GLU 26 HB3 GLU 26 6.500 -10.428 9.066 98 HG2 GLU 26 HG2 GLU 26 9.467 -10.323 8.851 99 HG3 GLU 26 HG3 GLU 26 8.505 -8.883 9.101 100 H ARG 27 H ARG 27 5.418 -12.424 9.582 101 HA ARG 27 HA ARG 27 6.575 -13.516 11.897 102 HB2 ARG 27 HB2 ARG 27 4.517 -12.332 12.003 103 HB3 ARG 27 HB3 ARG 27 3.745 -13.514 10.952 104 HG2 ARG 27 HG2 ARG 27 3.290 -13.670 13.305 105 HG3 ARG 27 HG3 ARG 27 3.871 -15.211 12.609 106 HD2 ARG 27 HD2 ARG 27 6.160 -14.352 13.609 107 HD3 ARG 27 HD3 ARG 27 5.141 -13.271 14.564 108 HE ARG 27 HE ARG 27 4.162 -15.898 14.799 109 HH11 ARG 27 HH11 ARG 27 7.018 -14.033 15.870 110 HH12 ARG 27 HH12 ARG 27 7.318 -15.039 17.186 111 HH21 ARG 27 HH21 ARG 27 4.616 -17.270 16.528 112 HH22 ARG 27 HH22 ARG 27 5.903 -16.978 17.602 113 H LEU 28 H LEU 28 5.352 -15.004 8.962 114 HA LEU 28 HA LEU 28 5.221 -17.623 10.057 115 HB2 LEU 28 HB2 LEU 28 5.499 -16.721 7.193 116 HB3 LEU 28 HB3 LEU 28 5.363 -18.406 7.649 117 HG LEU 28 HG LEU 28 3.264 -16.291 8.160 118 HD11 LEU 28 HD11 LEU 28 3.368 -18.541 6.172 119 HD12 LEU 28 HD12 LEU 28 3.415 -16.808 5.823 120 HD13 LEU 28 HD13 LEU 28 1.964 -17.532 6.505 121 HD21 LEU 28 HD21 LEU 28 3.213 -18.017 9.864 122 HD22 LEU 28 HD22 LEU 28 3.227 -19.264 8.611 123 HD23 LEU 28 HD23 LEU 28 1.848 -18.172 8.757 124 H ILE 29 H ILE 29 7.760 -15.768 8.649 125 HA ILE 29 HA ILE 29 9.763 -17.705 8.508 126 HB ILE 29 HB ILE 29 9.701 -14.738 9.002 127 HG12 ILE 29 HG12 ILE 29 10.801 -16.358 6.701 128 HG13 ILE 29 HG11 ILE 29 9.209 -15.610 6.752 129 HG21 ILE 29 HG21 ILE 29 11.545 -15.442 10.275 130 HG22 ILE 29 HG22 ILE 29 12.129 -14.616 8.812 131 HG23 ILE 29 HG23 ILE 29 12.206 -16.385 8.930 132 HD11 ILE 29 HD11 ILE 29 11.850 -14.180 6.827 133 HD12 ILE 29 HD12 ILE 29 10.265 -13.408 6.890 134 HD13 ILE 29 HD13 ILE 29 10.763 -14.291 5.444 135 H GLN 30 H GLN 30 8.931 -15.507 11.149 136 HA GLN 30 HA GLN 30 10.681 -16.520 13.115 137 HB2 GLN 30 HB2 GLN 30 8.003 -15.235 13.415 138 HB3 GLN 30 HB3 GLN 30 9.164 -15.445 14.723 139 HG2 GLN 30 HG2 GLN 30 10.670 -13.890 13.554 140 HG3 GLN 30 HG3 GLN 30 9.454 -13.699 12.282 141 HE21 GLN 30 HE21 GLN 30 9.118 -11.498 12.694 142 HE22 GLN 30 HE22 GLN 30 8.332 -10.934 14.088 143 H GLU 31 H GLU 31 7.282 -17.183 12.480 144 HA GLU 31 HA GLU 31 6.598 -18.726 14.714 145 HB2 GLU 31 HB2 GLU 31 5.116 -17.568 13.014 146 HB3 GLU 31 HB3 GLU 31 5.388 -18.946 11.968 147 HG2 GLU 31 HG2 GLU 31 3.298 -19.254 13.016 148 HG3 GLU 31 HG3 GLU 31 4.422 -20.381 13.774 149 H LEU 32 H LEU 32 7.711 -19.717 11.487 150 HA LEU 32 HA LEU 32 7.513 -22.525 12.105 151 HB2 LEU 32 HB2 LEU 32 8.290 -20.949 9.682 152 HB3 LEU 32 HB3 LEU 32 8.526 -22.673 9.768 153 HG LEU 32 HG LEU 32 6.114 -23.034 9.890 154 HD11 LEU 32 HD11 LEU 32 5.371 -21.052 11.082 155 HD12 LEU 32 HD12 LEU 32 4.529 -21.185 9.528 156 HD13 LEU 32 HD13 LEU 32 5.857 -20.044 9.721 157 HD21 LEU 32 HD21 LEU 32 7.030 -21.200 7.732 158 HD22 LEU 32 HD22 LEU 32 5.544 -22.163 7.649 159 HD23 LEU 32 HD23 LEU 32 7.131 -22.956 7.758 160 H ASN 33 H ASN 33 9.711 -20.218 12.876 161 HA ASN 33 HA ASN 33 11.920 -20.114 13.427 162 HB2 ASN 33 HB2 ASN 33 11.224 -22.276 14.667 163 HB3 ASN 33 HB3 ASN 33 11.913 -23.162 13.319 164 HD21 ASN 33 HD21 ASN 33 14.160 -23.165 13.080 165 HD22 ASN 33 HD22 ASN 33 15.233 -22.720 14.375 166 H LEU 34 H LEU 34 11.202 -19.884 10.798 167 HA LEU 34 HA LEU 34 13.345 -21.208 9.323 168 HB2 LEU 34 HB2 LEU 34 10.626 -20.262 8.417 169 HB3 LEU 34 HB3 LEU 34 11.922 -20.548 7.271 170 HG LEU 34 HG LEU 34 10.593 -22.539 9.104 171 HD11 LEU 34 HD11 LEU 34 10.616 -22.257 6.107 172 HD12 LEU 34 HD12 LEU 34 9.273 -21.874 7.179 173 HD13 LEU 34 HD13 LEU 34 9.825 -23.544 7.019 174 HD21 LEU 34 HD21 LEU 34 12.875 -22.928 7.165 175 HD22 LEU 34 HD22 LEU 34 11.976 -24.230 7.939 176 HD23 LEU 34 HD23 LEU 34 12.943 -23.129 8.917 177 H THR 35 H THR 35 13.803 -19.778 7.246 178 HA THR 35 HA THR 35 14.281 -17.063 8.200 179 HB THR 35 HB THR 35 16.467 -17.170 6.934 180 HG1 THR 35 HG1 THR 35 16.634 -19.859 6.991 181 HG21 THR 35 HG21 THR 35 16.451 -17.536 9.369 182 HG22 THR 35 HG22 THR 35 17.679 -18.538 8.586 183 HG23 THR 35 HG23 THR 35 16.148 -19.251 9.096 184 HA PRO 36 HA PRO 36 12.414 -15.441 4.548 185 HB2 PRO 36 HB2 PRO 36 15.032 -14.338 3.635 186 HB3 PRO 36 HB3 PRO 36 13.469 -13.515 3.828 187 HG2 PRO 36 HG2 PRO 36 15.361 -13.150 5.606 188 HG3 PRO 36 HG3 PRO 36 13.670 -13.324 6.109 189 HD2 PRO 36 HD2 PRO 36 15.903 -15.267 6.329 190 HD3 PRO 36 HD3 PRO 36 14.528 -14.994 7.417 191 H GLN 37 H GLN 37 15.360 -17.262 3.953 192 HA GLN 37 HA GLN 37 14.566 -17.682 1.157 193 HB2 GLN 37 HB2 GLN 37 17.171 -18.286 2.553 194 HB3 GLN 37 HB3 GLN 37 16.829 -18.691 0.876 195 HG2 GLN 37 HG2 GLN 37 16.787 -15.899 2.005 196 HG3 GLN 37 HG3 GLN 37 18.144 -16.619 1.143 197 HE21 GLN 37 HE21 GLN 37 14.870 -15.391 0.828 198 HE22 GLN 37 HE22 GLN 37 14.930 -15.270 -0.896 199 H GLN 38 H GLN 38 14.470 -19.275 4.133 200 HA GLN 38 HA GLN 38 14.248 -21.900 2.876 201 HB2 GLN 38 HB2 GLN 38 13.884 -21.031 5.756 202 HB3 GLN 38 HB3 GLN 38 13.736 -22.688 5.188 203 HG2 GLN 38 HG2 GLN 38 16.224 -21.012 5.010 204 HG3 GLN 38 HG3 GLN 38 15.889 -22.215 6.253 205 HE21 GLN 38 HE21 GLN 38 18.042 -22.088 4.229 206 HE22 GLN 38 HE22 GLN 38 17.891 -23.577 3.357 207 H LEU 39 H LEU 39 12.367 -19.314 4.123 208 HA LEU 39 HA LEU 39 9.958 -20.846 3.816 209 HB2 LEU 39 HB2 LEU 39 10.357 -19.410 5.855 210 HB3 LEU 39 HB3 LEU 39 10.326 -18.018 4.813 211 HG LEU 39 HG LEU 39 8.288 -18.568 6.251 212 HD11 LEU 39 HD11 LEU 39 6.760 -17.678 4.611 213 HD12 LEU 39 HD12 LEU 39 7.898 -18.076 3.316 214 HD13 LEU 39 HD13 LEU 39 8.319 -16.856 4.521 215 HD21 LEU 39 HD21 LEU 39 6.643 -20.046 5.232 216 HD22 LEU 39 HD22 LEU 39 8.125 -20.911 5.668 217 HD23 LEU 39 HD23 LEU 39 7.820 -20.470 3.988 218 H HIS 40 H HIS 40 10.206 -21.109 1.708 219 HA HIS 40 HA HIS 40 9.978 -18.927 -0.122 220 HB2 HIS 40 HB2 HIS 40 9.866 -20.598 -1.961 221 HB3 HIS 40 HB3 HIS 40 11.224 -20.868 -0.895 222 HD1 HIS 40 HD1 HIS 40 9.069 -22.759 -2.825 223 HD2 HIS 40 HD2 HIS 40 10.271 -23.036 1.147 224 HE1 HIS 40 HE1 HIS 40 8.658 -25.141 -2.127 225 H GLU 41 H GLU 41 8.141 -19.133 -1.912 226 HA GLU 41 HA GLU 41 5.873 -18.243 -0.405 227 HB2 GLU 41 HB2 GLU 41 6.852 -17.382 -2.649 228 HB3 GLU 41 HB3 GLU 41 6.024 -18.745 -3.376 229 HG2 GLU 41 HG2 GLU 41 4.612 -16.893 -3.659 230 HG3 GLU 41 HG3 GLU 41 3.923 -17.845 -2.338 231 H GLU 42 H GLU 42 6.785 -20.948 -2.348 232 HA GLU 42 HA GLU 42 4.202 -22.238 -2.445 233 HB2 GLU 42 HB2 GLU 42 6.732 -23.680 -3.114 234 HB3 GLU 42 HB3 GLU 42 5.168 -23.758 -3.896 235 HG2 GLU 42 HG2 GLU 42 6.538 -22.728 -5.485 236 HG3 GLU 42 HG3 GLU 42 5.701 -21.368 -4.735 237 H SER 43 H SER 43 6.336 -21.991 0.059 238 HA SER 43 HA SER 43 6.721 -24.516 1.107 239 HB2 SER 43 HB2 SER 43 5.935 -22.059 2.678 240 HB3 SER 43 HB3 SER 43 6.723 -23.496 3.318 241 HG SER 43 HG SER 43 7.704 -21.424 1.783 242 H ASN 44 H ASN 44 5.282 -26.100 1.471 243 HA ASN 44 HA ASN 44 2.524 -25.678 2.128 244 HB2 ASN 44 HB2 ASN 44 3.433 -27.917 1.293 245 HB3 ASN 44 HB3 ASN 44 4.275 -28.098 2.822 246 HD21 ASN 44 HD21 ASN 44 2.349 -29.855 1.728 247 HD22 ASN 44 HD22 ASN 44 1.010 -29.923 2.820 248 H LEU 45 H LEU 45 1.996 -24.650 3.951 249 HA LEU 45 HA LEU 45 4.057 -24.033 5.812 250 HB2 LEU 45 HB2 LEU 45 1.115 -23.457 5.991 251 HB3 LEU 45 HB3 LEU 45 2.356 -22.765 7.022 252 HG LEU 45 HG LEU 45 2.070 -22.369 4.065 253 HD11 LEU 45 HD11 LEU 45 0.404 -21.151 5.394 254 HD12 LEU 45 HD12 LEU 45 1.577 -20.039 4.677 255 HD13 LEU 45 HD13 LEU 45 1.709 -20.480 6.380 256 HD21 LEU 45 HD21 LEU 45 3.900 -20.726 4.303 257 HD22 LEU 45 HD22 LEU 45 4.422 -22.365 4.692 258 HD23 LEU 45 HD23 LEU 45 4.094 -21.216 5.986 259 H ILE 46 H ILE 46 1.379 -26.162 5.833 260 HA ILE 46 HA ILE 46 1.415 -26.946 8.541 261 HB ILE 46 HB ILE 46 0.646 -28.453 6.047 262 HG12 ILE 46 HG12 ILE 46 -0.985 -26.965 8.117 263 HG13 ILE 46 HG11 ILE 46 -0.692 -26.515 6.438 264 HG21 ILE 46 HG21 ILE 46 -0.561 -30.054 7.500 265 HG22 ILE 46 HG22 ILE 46 0.226 -29.320 8.908 266 HG23 ILE 46 HG23 ILE 46 1.195 -30.105 7.652 267 HD11 ILE 46 HD11 ILE 46 -2.263 -28.918 7.368 268 HD12 ILE 46 HD12 ILE 46 -1.985 -28.450 5.692 269 HD13 ILE 46 HD13 ILE 46 -2.943 -27.412 6.749 270 H GLN 47 H GLN 47 3.119 -28.009 5.741 271 HA GLN 47 HA GLN 47 4.393 -30.232 7.032 272 HB2 GLN 47 HB2 GLN 47 3.621 -29.970 4.589 273 HB3 GLN 47 HB3 GLN 47 5.087 -29.023 4.392 274 HG2 GLN 47 HG2 GLN 47 6.408 -30.895 5.078 275 HG3 GLN 47 HG3 GLN 47 4.902 -31.826 5.306 276 HE21 GLN 47 HE21 GLN 47 7.208 -32.292 3.511 277 HE22 GLN 47 HE22 GLN 47 6.531 -32.384 1.918 278 H ALA 48 H ALA 48 4.919 -26.917 6.893 279 HA ALA 48 HA ALA 48 7.816 -27.147 7.167 280 HB1 ALA 48 HB1 ALA 48 7.895 -24.751 6.730 281 HB2 ALA 48 HB2 ALA 48 6.132 -24.681 6.698 282 HB3 ALA 48 HB3 ALA 48 6.999 -25.584 5.462 283 H GLY 49 H GLY 49 5.246 -27.242 9.178 284 HA2 GLY 49 HA2 GLY 49 5.932 -27.416 11.542 285 HA3 GLY 49 HA3 GLY 49 6.846 -25.941 11.299 286 H LEU 50 H LEU 50 4.070 -25.417 9.670 287 HA LEU 50 HA LEU 50 2.863 -23.955 11.928 288 HB2 LEU 50 HB2 LEU 50 3.238 -22.942 9.601 289 HB3 LEU 50 HB3 LEU 50 2.012 -24.051 9.032 290 HG LEU 50 HG LEU 50 0.469 -22.967 10.764 291 HD11 LEU 50 HD11 LEU 50 2.620 -20.875 10.653 292 HD12 LEU 50 HD12 LEU 50 2.188 -21.859 12.047 293 HD13 LEU 50 HD13 LEU 50 1.031 -20.692 11.395 294 HD21 LEU 50 HD21 LEU 50 1.454 -21.319 8.444 295 HD22 LEU 50 HD22 LEU 50 -0.102 -21.145 9.256 296 HD23 LEU 50 HD23 LEU 50 0.262 -22.615 8.354 297 H ASP 51 H ASP 51 1.680 -25.229 13.183 298 HA ASP 51 HA ASP 51 0.241 -27.453 12.205 299 HB2 ASP 51 HB2 ASP 51 -0.721 -27.401 14.537 300 HB3 ASP 51 HB3 ASP 51 1.040 -27.477 14.480 301 HA 4HH 52 HA 4HH 52 -3.251 -25.268 11.388 302 H 4HH 52 H 4HH 52 -2.272 -27.289 13.229 303 HB3 4HH 52 HB3 4HH 52 -3.960 -27.564 10.828 304 HB2 4HH 52 HB2 4HH 52 -5.312 -26.555 11.330 305 HJ3 4HH 52 HJ3 4HH 52 -7.482 -27.487 14.252 306 HJ2 4HH 52 HJ2 4HH 52 -8.229 -28.932 13.608 307 HL13 4HH 52 HL13 4HH 52 -9.317 -27.398 10.983 308 HL12 4HH 52 HL12 4HH 52 -10.324 -28.595 11.901 309 HL11 4HH 52 HL11 4HH 52 -10.827 -26.962 11.682 310 HL21 4HH 52 HL21 4HH 52 -8.529 -25.471 12.181 311 HL23 4HH 52 HL23 4HH 52 -9.969 -25.055 13.014 312 HL22 4HH 52 HL22 4HH 52 -8.425 -25.297 13.904 313 HL3 4HH 52 HL3 4HH 52 -10.317 -28.537 14.553 314 HM 4HH 52 HM 4HH 52 -10.490 -26.945 16.208 315 HN 4HH 52 HN 4HH 52 -12.750 -27.249 12.654 316 HO2 4HH 52 HO2 4HH 52 -11.702 -24.672 12.672 317 HO3 4HH 52 HO3 4HH 52 -12.991 -24.693 13.903 318 HP3 4HH 52 HP3 4HH 52 -13.300 -25.361 11.012 319 HP2 4HH 52 HP2 4HH 52 -14.575 -25.526 12.206 320 HS2 4HH 52 HS2 4HH 52 -12.477 -22.340 13.764 321 HS3 4HH 52 HS3 4HH 52 -14.002 -21.472 13.400 322 HT3 4HH 52 HT3 4HH 52 -11.276 -20.698 12.512 323 HT2 4HH 52 HT2 4HH 52 -12.374 -19.821 13.576 324 HR 4HH 52 HR 4HH 52 -12.699 -22.302 11.034 325 HU 4HH 52 HU 4HH 52 -14.267 -19.410 11.526 326 H ILE 53 H ILE 53 -2.706 -25.626 14.490 327 HA ILE 53 HA ILE 53 -5.030 -24.153 15.378 328 HB ILE 53 HB ILE 53 -2.423 -24.802 16.756 329 HG12 ILE 53 HG12 ILE 53 -3.763 -26.786 16.428 330 HG13 ILE 53 HG11 ILE 53 -3.836 -26.336 18.127 331 HG21 ILE 53 HG21 ILE 53 -4.916 -23.504 17.920 332 HG22 ILE 53 HG22 ILE 53 -3.379 -22.703 17.647 333 HG23 ILE 53 HG23 ILE 53 -3.499 -23.989 18.855 334 HD11 ILE 53 HD11 ILE 53 -6.004 -25.847 16.070 335 HD12 ILE 53 HD12 ILE 53 -6.067 -25.348 17.752 336 HD13 ILE 53 HD13 ILE 53 -6.020 -27.061 17.346 337 H ARG 54 H ARG 54 -1.595 -23.685 14.808 338 HA ARG 54 HA ARG 54 -1.488 -20.912 15.010 339 HB2 ARG 54 HB2 ARG 54 0.064 -22.939 13.552 340 HB3 ARG 54 HB3 ARG 54 0.355 -21.220 13.330 341 HG2 ARG 54 HG2 ARG 54 0.738 -21.007 15.716 342 HG3 ARG 54 HG3 ARG 54 0.526 -22.769 15.872 343 HD2 ARG 54 HD2 ARG 54 2.257 -23.164 14.321 344 HD3 ARG 54 HD3 ARG 54 2.274 -21.420 14.003 345 HE ARG 54 HE ARG 54 3.438 -21.032 15.987 346 HH11 ARG 54 HH11 ARG 54 2.798 -24.498 15.753 347 HH12 ARG 54 HH12 ARG 54 4.277 -24.994 16.399 348 HH21 ARG 54 HH21 ARG 54 5.463 -21.636 16.864 349 HH22 ARG 54 HH22 ARG 54 5.892 -23.278 17.091 350 H LEU 55 H LEU 55 -2.360 -23.048 12.328 351 HA LEU 55 HA LEU 55 -2.576 -20.912 10.437 352 HB2 LEU 55 HB2 LEU 55 -2.093 -23.270 9.793 353 HB3 LEU 55 HB3 LEU 55 -3.741 -23.673 10.231 354 HG LEU 55 HG LEU 55 -3.210 -21.593 8.140 355 HD11 LEU 55 HD11 LEU 55 -3.257 -24.547 7.823 356 HD12 LEU 55 HD12 LEU 55 -1.949 -23.371 7.460 357 HD13 LEU 55 HD13 LEU 55 -3.459 -23.366 6.511 358 HD21 LEU 55 HD21 LEU 55 -5.333 -22.333 7.247 359 HD22 LEU 55 HD22 LEU 55 -5.496 -21.821 8.927 360 HD23 LEU 55 HD23 LEU 55 -5.484 -23.547 8.520 361 H MET 56 H MET 56 -5.043 -22.758 12.244 362 HA MET 56 HA MET 56 -7.215 -21.348 11.193 363 HB2 MET 56 HB2 MET 56 -7.541 -23.298 12.602 364 HB3 MET 56 HB3 MET 56 -6.852 -22.435 13.971 365 HG2 MET 56 HG2 MET 56 -8.783 -20.715 13.446 366 HG3 MET 56 HG3 MET 56 -9.521 -22.116 12.674 367 HE1 MET 56 HE1 MET 56 -7.708 -20.780 15.660 368 HE2 MET 56 HE2 MET 56 -7.180 -22.469 15.840 369 HE3 MET 56 HE3 MET 56 -8.273 -21.761 17.031 370 H ARG 57 H ARG 57 -5.043 -20.656 13.790 371 HA ARG 57 HA ARG 57 -6.093 -18.450 14.902 372 HB2 ARG 57 HB2 ARG 57 -4.143 -19.591 15.600 373 HB3 ARG 57 HB3 ARG 57 -3.304 -18.974 14.183 374 HG2 ARG 57 HG2 ARG 57 -3.641 -16.692 14.997 375 HG3 ARG 57 HG3 ARG 57 -4.373 -17.358 16.470 376 HD2 ARG 57 HD2 ARG 57 -2.109 -16.987 16.943 377 HD3 ARG 57 HD3 ARG 57 -2.507 -18.724 16.702 378 HE ARG 57 HE ARG 57 -1.720 -17.976 14.255 379 HH11 ARG 57 HH11 ARG 57 0.029 -17.926 17.353 380 HH12 ARG 57 HH12 ARG 57 1.564 -17.902 16.588 381 HH21 ARG 57 HH21 ARG 57 0.416 -17.927 13.292 382 HH22 ARG 57 HH22 ARG 57 1.774 -17.854 14.352 383 H TRP 58 H TRP 58 -4.274 -18.875 11.756 384 HA TRP 58 HA TRP 58 -3.821 -16.124 11.300 385 HB2 TRP 58 HB2 TRP 58 -3.580 -18.570 9.591 386 HB3 TRP 58 HB3 TRP 58 -3.381 -16.980 8.888 387 HD1 TRP 58 HD1 TRP 58 -1.316 -19.615 9.886 388 HE1 TRP 58 HE1 TRP 58 0.987 -18.835 10.746 389 HE3 TRP 58 HE3 TRP 58 -2.405 -14.696 10.764 390 HZ2 TRP 58 HZ2 TRP 58 2.186 -16.405 11.666 391 HZ3 TRP 58 HZ3 TRP 58 -0.645 -13.226 11.621 392 HH2 TRP 58 HH2 TRP 58 1.594 -14.064 12.063 393 H LEU 59 H LEU 59 -6.390 -18.324 10.494 394 HA LEU 59 HA LEU 59 -7.573 -16.607 8.559 395 HB2 LEU 59 HB2 LEU 59 -8.024 -19.127 8.944 396 HB3 LEU 59 HB3 LEU 59 -9.089 -18.621 10.231 397 HG LEU 59 HG LEU 59 -10.225 -19.205 8.048 398 HD11 LEU 59 HD11 LEU 59 -11.406 -17.862 9.668 399 HD12 LEU 59 HD12 LEU 59 -11.739 -17.334 8.003 400 HD13 LEU 59 HD13 LEU 59 -10.626 -16.413 9.015 401 HD21 LEU 59 HD21 LEU 59 -9.015 -16.616 7.105 402 HD22 LEU 59 HD22 LEU 59 -10.167 -17.626 6.231 403 HD23 LEU 59 HD23 LEU 59 -8.543 -18.225 6.565 404 H HIS 60 H HIS 60 -7.706 -16.885 11.981 405 HA HIS 60 HA HIS 60 -9.807 -15.062 12.503 406 HB2 HIS 60 HB2 HIS 60 -7.455 -15.996 14.140 407 HB3 HIS 60 HB3 HIS 60 -8.598 -14.812 14.753 408 HD1 HIS 60 HD1 HIS 60 -8.388 -18.482 13.805 409 HD2 HIS 60 HD2 HIS 60 -10.915 -15.753 15.572 410 HE1 HIS 60 HE1 HIS 60 -10.186 -19.848 14.926 411 H TRP 61 H TRP 61 -6.538 -14.698 11.573 412 HA TRP 61 HA TRP 61 -6.392 -11.919 12.280 413 HB2 TRP 61 HB2 TRP 61 -4.358 -13.243 12.419 414 HB3 TRP 61 HB3 TRP 61 -4.544 -13.773 10.761 415 HD1 TRP 61 HD1 TRP 61 -3.749 -10.473 12.700 416 HE1 TRP 61 HE1 TRP 61 -2.085 -9.102 11.177 417 HE3 TRP 61 HE3 TRP 61 -3.627 -13.475 8.563 418 HZ2 TRP 61 HZ2 TRP 61 -0.956 -9.278 8.699 419 HZ3 TRP 61 HZ3 TRP 61 -2.220 -12.796 6.671 420 HH2 TRP 61 HH2 TRP 61 -0.910 -10.731 6.752 421 H PHE 62 H PHE 62 -6.536 -13.848 9.298 422 HA PHE 62 HA PHE 62 -6.711 -11.762 7.451 423 HB2 PHE 62 HB2 PHE 62 -7.913 -14.550 7.230 424 HB3 PHE 62 HB3 PHE 62 -7.937 -13.368 5.956 425 HD1 PHE 62 HD2 PHE 62 -5.693 -12.403 5.236 426 HD2 PHE 62 HD1 PHE 62 -6.146 -16.033 7.369 427 HE1 PHE 62 HE2 PHE 62 -3.497 -13.173 4.411 428 HE2 PHE 62 HE1 PHE 62 -3.973 -16.809 6.555 429 HZ PHE 62 HZ PHE 62 -2.646 -15.380 5.072 430 H ARG 63 H ARG 63 -9.414 -13.579 8.855 431 HA ARG 63 HA ARG 63 -11.391 -12.162 7.425 432 HB2 ARG 63 HB2 ARG 63 -11.551 -14.431 8.369 433 HB3 ARG 63 HB3 ARG 63 -11.718 -13.709 9.959 434 HG2 ARG 63 HG2 ARG 63 -13.821 -12.889 9.513 435 HG3 ARG 63 HG3 ARG 63 -13.573 -12.922 7.759 436 HD2 ARG 63 HD2 ARG 63 -13.435 -15.262 7.802 437 HD3 ARG 63 HD3 ARG 63 -13.717 -15.312 9.547 438 HE ARG 63 HE ARG 63 -15.918 -14.193 8.947 439 HH11 ARG 63 HH11 ARG 63 -14.311 -16.318 6.623 440 HH12 ARG 63 HH12 ARG 63 -15.679 -17.032 5.976 441 HH21 ARG 63 HH21 ARG 63 -17.953 -15.125 8.040 442 HH22 ARG 63 HH22 ARG 63 -17.850 -16.294 6.808 443 H LYS 64 H LYS 64 -9.742 -11.540 10.328 444 HA LYS 64 HA LYS 64 -11.597 -9.654 11.487 445 HB2 LYS 64 HB2 LYS 64 -10.027 -11.095 12.772 446 HB3 LYS 64 HB3 LYS 64 -8.717 -10.231 12.017 447 HG2 LYS 64 HG2 LYS 64 -9.415 -8.170 13.099 448 HG3 LYS 64 HG3 LYS 64 -10.736 -9.039 13.887 449 HD2 LYS 64 HD2 LYS 64 -8.788 -8.787 15.366 450 HD3 LYS 64 HD3 LYS 64 -9.158 -10.481 15.017 451 HE2 LYS 64 HE2 LYS 64 -6.706 -9.907 14.932 452 HE3 LYS 64 HE3 LYS 64 -7.347 -10.669 13.485 453 HZ1 LYS 64 HZ1 LYS 64 -5.851 -8.777 13.023 454 HZ2 LYS 64 HZ2 LYS 64 -6.953 -7.707 13.742 455 HZ3 LYS 64 HZ3 LYS 64 -7.356 -8.564 12.357 456 H ASN 65 H ASN 65 -9.059 -9.619 9.143 457 HA ASN 65 HA ASN 65 -8.726 -6.729 9.350 458 HB2 ASN 65 HB2 ASN 65 -7.154 -8.859 7.873 459 HB3 ASN 65 HB3 ASN 65 -6.929 -7.149 7.539 460 HD21 ASN 65 HD21 ASN 65 -4.709 -7.287 8.218 461 HD22 ASN 65 HD22 ASN 65 -4.307 -7.397 9.854 462 H GLY 66 H GLY 66 -10.906 -8.616 8.104 463 HA2 GLY 66 HA2 GLY 66 -12.628 -7.739 6.738 464 HA3 GLY 66 HA3 GLY 66 -11.440 -6.722 5.943 465 H TYR 67 H TYR 67 -10.200 -9.809 6.214 466 HA TYR 67 HA TYR 67 -10.542 -10.211 3.419 467 HB2 TYR 67 HB2 TYR 67 -9.185 -11.815 5.544 468 HB3 TYR 67 HB3 TYR 67 -9.302 -12.380 3.876 469 HD1 TYR 67 HD2 TYR 67 -8.203 -9.423 5.867 470 HD2 TYR 67 HD1 TYR 67 -7.666 -11.790 2.389 471 HE1 TYR 67 HE2 TYR 67 -6.252 -8.078 5.257 472 HE2 TYR 67 HE1 TYR 67 -5.734 -10.438 1.773 473 HH TYR 67 HH TYR 67 -4.439 -7.991 3.876 474 H ARG 68 H ARG 68 -12.026 -11.161 2.460 475 HA ARG 68 HA ARG 68 -14.030 -12.625 3.921 476 HB2 ARG 68 HB2 ARG 68 -13.905 -12.016 0.960 477 HB3 ARG 68 HB3 ARG 68 -15.315 -12.643 1.766 478 HG2 ARG 68 HG2 ARG 68 -15.939 -10.548 1.859 479 HG3 ARG 68 HG3 ARG 68 -14.840 -10.429 3.225 480 HD2 ARG 68 HD2 ARG 68 -13.014 -9.908 1.597 481 HD3 ARG 68 HD3 ARG 68 -14.281 -9.763 0.378 482 HE ARG 68 HE ARG 68 -15.079 -8.113 2.389 483 HH11 ARG 68 HH11 ARG 68 -12.288 -8.135 0.143 484 HH12 ARG 68 HH12 ARG 68 -11.762 -6.608 0.513 485 HH21 ARG 68 HH21 ARG 68 -14.387 -5.858 2.825 486 HH22 ARG 68 HH22 ARG 68 -13.014 -5.245 2.022 487 H LEU 69 H LEU 69 -12.530 -14.107 4.518 488 HA LEU 69 HA LEU 69 -12.153 -16.388 2.680 489 HB2 LEU 69 HB2 LEU 69 -10.151 -15.268 4.650 490 HB3 LEU 69 HB3 LEU 69 -9.991 -16.823 3.872 491 HG LEU 69 HG LEU 69 -10.021 -14.185 2.399 492 HD11 LEU 69 HD11 LEU 69 -7.612 -14.528 2.156 493 HD12 LEU 69 HD12 LEU 69 -7.708 -15.971 3.164 494 HD13 LEU 69 HD13 LEU 69 -8.053 -14.387 3.857 495 HD21 LEU 69 HD21 LEU 69 -9.184 -15.520 0.548 496 HD22 LEU 69 HD22 LEU 69 -10.762 -16.111 1.082 497 HD23 LEU 69 HD23 LEU 69 -9.288 -16.971 1.546 498 H THR 70 H THR 70 -12.282 -18.396 3.721 499 HA THR 70 HA THR 70 -13.051 -18.292 6.518 500 HB THR 70 HB THR 70 -14.146 -20.242 4.462 501 HG1 THR 70 HG1 THR 70 -15.099 -18.566 3.786 502 HG21 THR 70 HG21 THR 70 -15.914 -20.569 6.113 503 HG22 THR 70 HG22 THR 70 -15.091 -19.458 7.228 504 HG23 THR 70 HG23 THR 70 -14.326 -20.986 6.746 505 H LEU 71 H LEU 71 -12.699 -20.615 7.461 506 HA LEU 71 HA LEU 71 -9.927 -21.033 7.309 507 HB2 LEU 71 HB2 LEU 71 -11.302 -21.227 9.323 508 HB3 LEU 71 HB3 LEU 71 -12.003 -22.696 8.677 509 HG LEU 71 HG LEU 71 -9.722 -23.687 8.647 510 HD11 LEU 71 HD11 LEU 71 -8.010 -22.679 10.001 511 HD12 LEU 71 HD12 LEU 71 -9.019 -21.268 10.277 512 HD13 LEU 71 HD13 LEU 71 -8.414 -21.621 8.647 513 HD21 LEU 71 HD21 LEU 71 -10.855 -22.764 11.260 514 HD22 LEU 71 HD22 LEU 71 -9.626 -24.005 11.086 515 HD23 LEU 71 HD23 LEU 71 -11.235 -24.255 10.395 516 H ARG 72 H ARG 72 -12.487 -22.658 5.607 517 HA ARG 72 HA ARG 72 -11.142 -25.207 5.361 518 HB2 ARG 72 HB2 ARG 72 -13.214 -24.107 3.443 519 HB3 ARG 72 HB3 ARG 72 -12.683 -25.757 3.554 520 HG2 ARG 72 HG2 ARG 72 -14.813 -25.724 4.416 521 HG3 ARG 72 HG3 ARG 72 -13.734 -25.845 5.810 522 HD2 ARG 72 HD2 ARG 72 -15.482 -24.221 6.208 523 HD3 ARG 72 HD3 ARG 72 -13.794 -23.618 6.084 524 HE ARG 72 HE ARG 72 -14.240 -22.588 4.030 525 HH11 ARG 72 HH11 ARG 72 -17.251 -23.857 5.411 526 HH12 ARG 72 HH12 ARG 72 -18.254 -22.841 4.482 527 HH21 ARG 72 HH21 ARG 72 -15.543 -21.193 2.827 528 HH22 ARG 72 HH22 ARG 72 -17.235 -21.254 2.911 529 H GLU 73 H GLU 73 -11.529 -22.339 3.511 530 HA GLU 73 HA GLU 73 -10.301 -22.916 1.167 531 HB2 GLU 73 HB2 GLU 73 -10.477 -20.280 2.648 532 HB3 GLU 73 HB3 GLU 73 -10.025 -20.455 0.968 533 HG2 GLU 73 HG2 GLU 73 -12.271 -19.780 0.926 534 HG3 GLU 73 HG3 GLU 73 -12.335 -21.508 0.594 535 H LEU 74 H LEU 74 -8.836 -21.906 4.229 536 HA LEU 74 HA LEU 74 -6.283 -21.546 2.990 537 HB2 LEU 74 HB2 LEU 74 -6.841 -21.889 5.925 538 HB3 LEU 74 HB3 LEU 74 -5.322 -21.376 5.230 539 HG LEU 74 HG LEU 74 -7.869 -19.890 5.573 540 HD11 LEU 74 HD11 LEU 74 -6.214 -19.818 7.347 541 HD12 LEU 74 HD12 LEU 74 -6.355 -18.234 6.558 542 HD13 LEU 74 HD13 LEU 74 -5.008 -19.302 6.160 543 HD21 LEU 74 HD21 LEU 74 -6.991 -18.061 4.262 544 HD22 LEU 74 HD22 LEU 74 -7.250 -19.499 3.258 545 HD23 LEU 74 HD23 LEU 74 -5.606 -19.062 3.783 546 H TYR 75 H TYR 75 -7.946 -24.129 4.689 547 HA TYR 75 HA TYR 75 -5.608 -25.757 4.976 548 HB2 TYR 75 HB2 TYR 75 -8.540 -26.362 5.465 549 HB3 TYR 75 HB3 TYR 75 -7.318 -27.639 5.537 550 HD1 TYR 75 HD1 TYR 75 -5.199 -26.339 6.833 551 HD2 TYR 75 HD2 TYR 75 -9.348 -26.060 7.343 552 HE1 TYR 75 HE1 TYR 75 -4.843 -25.764 9.212 553 HE2 TYR 75 HE2 TYR 75 -9.065 -25.477 9.690 554 HH TYR 75 HH TYR 75 -7.172 -25.942 11.425 555 H ALA 76 H ALA 76 -7.882 -25.246 2.515 556 HA ALA 76 HA ALA 76 -7.470 -27.689 1.274 557 HB1 ALA 76 HB1 ALA 76 -8.447 -25.113 0.033 558 HB2 ALA 76 HB2 ALA 76 -9.448 -26.353 0.787 559 HB3 ALA 76 HB3 ALA 76 -8.580 -26.708 -0.707 560 H ALA 77 H ALA 77 -5.817 -24.638 1.186 561 HA ALA 77 HA ALA 77 -3.629 -25.862 -0.250 562 HB1 ALA 77 HB1 ALA 77 -4.837 -23.250 -1.181 563 HB2 ALA 77 HB2 ALA 77 -4.939 -24.788 -2.040 564 HB3 ALA 77 HB3 ALA 77 -3.374 -24.000 -1.818 565 HA PRO 78 HA PRO 78 -2.327 -23.108 3.134 566 HB2 PRO 78 HB2 PRO 78 -0.830 -25.114 4.420 567 HB3 PRO 78 HB3 PRO 78 -2.455 -24.571 4.878 568 HG2 PRO 78 HG2 PRO 78 -1.788 -27.097 3.872 569 HG3 PRO 78 HG3 PRO 78 -3.416 -26.429 4.081 570 HD2 PRO 78 HD2 PRO 78 -1.782 -26.655 1.618 571 HD3 PRO 78 HD3 PRO 78 -3.548 -26.652 1.820 572 H THR 79 H THR 79 -1.106 -22.124 1.506 573 HA THR 79 HA THR 79 1.747 -22.548 1.738 574 HB THR 79 HB THR 79 2.010 -22.228 -0.746 575 HG1 THR 79 HG1 THR 79 -0.748 -22.874 -0.818 576 HG21 THR 79 HG21 THR 79 1.502 -24.515 -1.442 577 HG22 THR 79 HG22 THR 79 0.479 -24.701 0.002 578 HG23 THR 79 HG23 THR 79 2.227 -24.482 0.174 579 H LEU 80 H LEU 80 2.801 -20.535 1.235 580 HA LEU 80 HA LEU 80 1.137 -18.316 1.782 581 HB2 LEU 80 HB2 LEU 80 3.922 -18.886 1.738 582 HB3 LEU 80 HB3 LEU 80 3.622 -17.418 0.827 583 HG LEU 80 HG LEU 80 2.654 -17.862 3.654 584 HD11 LEU 80 HD11 LEU 80 5.023 -16.368 2.584 585 HD12 LEU 80 HD12 LEU 80 5.042 -17.798 3.633 586 HD13 LEU 80 HD13 LEU 80 4.398 -16.258 4.225 587 HD21 LEU 80 HD21 LEU 80 2.775 -15.481 1.863 588 HD22 LEU 80 HD22 LEU 80 2.379 -15.432 3.577 589 HD23 LEU 80 HD23 LEU 80 1.304 -16.273 2.444 590 H ALA 81 H ALA 81 2.512 -19.665 -1.084 591 HA ALA 81 HA ALA 81 1.994 -17.632 -2.917 592 HB1 ALA 81 HB1 ALA 81 1.766 -20.605 -3.402 593 HB2 ALA 81 HB2 ALA 81 3.263 -19.678 -3.460 594 HB3 ALA 81 HB3 ALA 81 1.986 -19.363 -4.635 595 H ALA 82 H ALA 82 -0.166 -20.300 -1.932 596 HA ALA 82 HA ALA 82 -2.301 -19.333 -3.534 597 HB1 ALA 82 HB1 ALA 82 -2.197 -21.680 -2.860 598 HB2 ALA 82 HB2 ALA 82 -3.711 -20.909 -2.365 599 HB3 ALA 82 HB3 ALA 82 -2.441 -21.199 -1.175 600 H TRP 83 H TRP 83 -1.422 -18.972 -0.138 601 HA TRP 83 HA TRP 83 -3.745 -17.629 0.652 602 HB2 TRP 83 HB2 TRP 83 -0.954 -17.589 1.741 603 HB3 TRP 83 HB3 TRP 83 -2.252 -16.651 2.461 604 HD1 TRP 83 HD1 TRP 83 -3.359 -20.062 1.248 605 HE1 TRP 83 HE1 TRP 83 -3.651 -21.616 3.219 606 HE3 TRP 83 HE3 TRP 83 -1.269 -17.120 4.734 607 HZ2 TRP 83 HZ2 TRP 83 -3.121 -21.539 6.007 608 HZ3 TRP 83 HZ3 TRP 83 -1.180 -17.899 7.100 609 HH2 TRP 83 HH2 TRP 83 -2.082 -20.068 7.711 610 H ASN 84 H ASN 84 -0.613 -16.288 -0.317 611 HA ASN 84 HA ASN 84 -1.287 -13.590 -0.262 612 HB2 ASN 84 HB2 ASN 84 1.031 -14.413 -0.559 613 HB3 ASN 84 HB3 ASN 84 0.626 -15.034 -2.135 614 HD21 ASN 84 HD21 ASN 84 2.362 -13.803 -2.933 615 HD22 ASN 84 HD22 ASN 84 2.184 -12.106 -3.223 616 H GLN 85 H GLN 85 -1.725 -15.948 -2.847 617 HA GLN 85 HA GLN 85 -2.882 -14.290 -4.791 618 HB2 GLN 85 HB2 GLN 85 -2.177 -16.593 -5.257 619 HB3 GLN 85 HB3 GLN 85 -3.400 -17.213 -4.168 620 HG2 GLN 85 HG2 GLN 85 -5.147 -16.327 -5.649 621 HG3 GLN 85 HG3 GLN 85 -3.898 -15.751 -6.753 622 HE21 GLN 85 HE21 GLN 85 -2.736 -17.247 -7.959 623 HE22 GLN 85 HE22 GLN 85 -3.283 -18.885 -8.129 624 H LEU 86 H LEU 86 -4.400 -16.271 -2.262 625 HA LEU 86 HA LEU 86 -7.073 -15.584 -2.635 626 HB2 LEU 86 HB2 LEU 86 -5.622 -16.361 -0.121 627 HB3 LEU 86 HB3 LEU 86 -7.359 -16.254 -0.260 628 HG LEU 86 HG LEU 86 -5.629 -18.180 -1.830 629 HD11 LEU 86 HD11 LEU 86 -5.640 -18.619 0.580 630 HD12 LEU 86 HD12 LEU 86 -6.488 -19.864 -0.349 631 HD13 LEU 86 HD13 LEU 86 -7.410 -18.630 0.532 632 HD21 LEU 86 HD21 LEU 86 -8.609 -18.005 -1.466 633 HD22 LEU 86 HD22 LEU 86 -7.740 -19.294 -2.282 634 HD23 LEU 86 HD23 LEU 86 -7.734 -17.659 -2.971 635 H MET 87 H MET 87 -4.493 -13.733 -1.281 636 HA MET 87 HA MET 87 -6.112 -12.206 0.582 637 HB2 MET 87 HB2 MET 87 -3.226 -12.100 -0.206 638 HB3 MET 87 HB3 MET 87 -3.897 -10.920 0.885 639 HG2 MET 87 HG2 MET 87 -4.556 -12.827 2.377 640 HG3 MET 87 HG3 MET 87 -3.710 -13.905 1.272 641 HE1 MET 87 HE1 MET 87 -3.478 -11.041 3.830 642 HE2 MET 87 HE2 MET 87 -2.734 -10.260 2.429 643 HE3 MET 87 HE3 MET 87 -1.760 -10.660 3.839 644 H LEU 88 H LEU 88 -4.123 -11.603 -2.252 645 HA LEU 88 HA LEU 88 -4.811 -8.967 -2.586 646 HB2 LEU 88 HB2 LEU 88 -2.881 -9.676 -3.583 647 HB3 LEU 88 HB3 LEU 88 -3.581 -11.194 -4.112 648 HG LEU 88 HG LEU 88 -4.904 -10.068 -5.562 649 HD11 LEU 88 HD11 LEU 88 -4.870 -7.729 -4.690 650 HD12 LEU 88 HD12 LEU 88 -4.161 -7.629 -6.305 651 HD13 LEU 88 HD13 LEU 88 -3.121 -7.648 -4.878 652 HD21 LEU 88 HD21 LEU 88 -2.943 -11.120 -6.402 653 HD22 LEU 88 HD22 LEU 88 -1.952 -9.713 -5.987 654 HD23 LEU 88 HD23 LEU 88 -3.112 -9.608 -7.307 655 H SER 89 H SER 89 -6.240 -12.014 -3.574 656 HA SER 89 HA SER 89 -7.940 -10.761 -5.389 657 HB2 SER 89 HB2 SER 89 -8.046 -13.580 -4.303 658 HB3 SER 89 HB3 SER 89 -8.983 -12.996 -5.681 659 HG SER 89 HG SER 89 -6.226 -13.405 -5.423 660 H ARG 90 H ARG 90 -7.987 -10.470 -2.173 661 HA ARG 90 HA ARG 90 -10.900 -10.684 -1.831 662 HB2 ARG 90 HB2 ARG 90 -8.784 -10.117 0.252 663 HB3 ARG 90 HB3 ARG 90 -10.507 -10.148 0.563 664 HG2 ARG 90 HG2 ARG 90 -8.818 -12.482 -0.317 665 HG3 ARG 90 HG3 ARG 90 -9.402 -12.175 1.314 666 HD2 ARG 90 HD2 ARG 90 -10.778 -13.852 0.288 667 HD3 ARG 90 HD3 ARG 90 -11.718 -12.381 0.482 668 HE ARG 90 HE ARG 90 -10.602 -12.392 -2.071 669 HH11 ARG 90 HH11 ARG 90 -12.984 -14.325 -0.276 670 HH12 ARG 90 HH12 ARG 90 -13.949 -14.652 -1.631 671 HH21 ARG 90 HH21 ARG 90 -11.900 -12.770 -3.889 672 HH22 ARG 90 HH22 ARG 90 -13.316 -13.720 -3.807 673 H SER 91 H SER 91 -8.235 -8.395 -1.608 674 HA SER 91 HA SER 91 -10.138 -6.281 -2.130 675 HB2 SER 91 HB2 SER 91 -7.928 -6.159 -0.056 676 HB3 SER 91 HB3 SER 91 -9.016 -4.843 -0.492 677 HG SER 91 HG SER 91 -9.399 -6.179 1.427 678 HA PRO 92 HA PRO 92 -6.546 -5.514 -4.747 679 HB2 PRO 92 HB2 PRO 92 -7.996 -5.307 -7.075 680 HB3 PRO 92 HB3 PRO 92 -7.358 -6.843 -6.456 681 HG2 PRO 92 HG2 PRO 92 -10.101 -6.083 -6.698 682 HG3 PRO 92 HG3 PRO 92 -9.431 -7.600 -6.072 683 HD2 PRO 92 HD2 PRO 92 -10.397 -5.235 -4.579 684 HD3 PRO 92 HD3 PRO 92 -10.272 -6.936 -4.071 685 H GLU 93 H GLU 93 -5.950 -3.451 -4.437 686 HA GLU 93 HA GLU 93 -7.816 -1.283 -4.981 687 HB2 GLU 93 HB2 GLU 93 -5.056 -1.192 -3.687 688 HB3 GLU 93 HB3 GLU 93 -6.117 0.172 -3.901 689 HG2 GLU 93 HG2 GLU 93 -6.215 -0.478 -1.606 690 HG3 GLU 93 HG3 GLU 93 -7.748 -0.905 -2.347 Start of MODEL 10 1 H ASP 14 HT1 ASP 14 -3.321 -4.470 -8.465 2 HA ASP 14 HA ASP 14 -0.972 -6.188 -8.729 3 HB2 ASP 14 HB2 ASP 14 0.105 -4.141 -7.581 4 HB3 ASP 14 HB3 ASP 14 -0.261 -4.009 -9.303 5 H ASN 15 H ASN 15 0.218 -5.940 -6.459 6 HA ASN 15 HA ASN 15 -1.547 -7.331 -4.686 7 HB2 ASN 15 HB2 ASN 15 1.396 -6.663 -4.485 8 HB3 ASN 15 HB3 ASN 15 0.551 -7.623 -3.282 9 HD21 ASN 15 HD21 ASN 15 -0.044 -9.796 -3.809 10 HD22 ASN 15 HD22 ASN 15 0.551 -10.527 -5.246 11 H ARG 16 H ARG 16 -2.980 -5.852 -4.054 12 HA ARG 16 HA ARG 16 -2.144 -3.446 -2.651 13 HB2 ARG 16 HB2 ARG 16 -4.878 -4.479 -3.409 14 HB3 ARG 16 HB3 ARG 16 -4.554 -2.886 -2.716 15 HG2 ARG 16 HG2 ARG 16 -3.435 -2.141 -4.588 16 HG3 ARG 16 HG3 ARG 16 -3.087 -3.768 -5.147 17 HD2 ARG 16 HD2 ARG 16 -5.470 -4.051 -5.662 18 HD3 ARG 16 HD3 ARG 16 -5.746 -2.346 -5.239 19 HE ARG 16 HE ARG 16 -3.735 -2.187 -6.973 20 HH11 ARG 16 HH11 ARG 16 -6.765 -4.009 -7.228 21 HH12 ARG 16 HH12 ARG 16 -6.762 -4.046 -8.917 22 HH21 ARG 16 HH21 ARG 16 -3.798 -2.169 -9.281 23 HH22 ARG 16 HH22 ARG 16 -5.141 -2.852 -10.128 24 H HIS 17 H HIS 17 -4.797 -5.690 -1.745 25 HA HIS 17 HA HIS 17 -4.306 -5.387 1.139 26 HB2 HIS 17 HB2 HIS 17 -6.343 -6.528 -0.539 27 HB3 HIS 17 HB3 HIS 17 -5.723 -7.787 0.518 28 HD1 HIS 17 HD1 HIS 17 -5.554 -6.573 3.280 29 HD2 HIS 17 HD2 HIS 17 -8.508 -5.483 0.529 30 HE1 HIS 17 HE1 HIS 17 -7.452 -5.652 4.610 31 H ALA 18 H ALA 18 -3.123 -7.273 -1.277 32 HA ALA 18 HA ALA 18 -2.053 -9.325 0.214 33 HB1 ALA 18 HB1 ALA 18 -0.503 -9.625 -1.668 34 HB2 ALA 18 HB2 ALA 18 -1.131 -8.096 -2.358 35 HB3 ALA 18 HB3 ALA 18 -2.206 -9.474 -2.076 36 H ALA 19 H ALA 19 -1.202 -5.993 0.303 37 HA ALA 19 HA ALA 19 1.416 -6.088 1.210 38 HB1 ALA 19 HB1 ALA 19 -0.837 -4.369 2.269 39 HB2 ALA 19 HB2 ALA 19 0.166 -3.994 0.867 40 HB3 ALA 19 HB3 ALA 19 0.887 -4.056 2.476 41 H ASP 20 H ASP 20 -1.614 -7.014 2.891 42 HA ASP 20 HA ASP 20 -0.666 -7.401 5.516 43 HB2 ASP 20 HB2 ASP 20 -2.734 -9.017 3.976 44 HB3 ASP 20 HB3 ASP 20 -2.419 -9.246 5.679 45 H TYR 21 H TYR 21 -0.403 -9.241 2.646 46 HA TYR 21 HA TYR 21 0.457 -11.762 3.608 47 HB2 TYR 21 HB2 TYR 21 0.126 -12.128 1.407 48 HB3 TYR 21 HB3 TYR 21 0.392 -10.439 1.031 49 HD1 TYR 21 HD2 TYR 21 2.013 -13.745 1.306 50 HD2 TYR 21 HD1 TYR 21 2.554 -9.694 0.140 51 HE1 TYR 21 HE2 TYR 21 4.011 -14.383 0.097 52 HE2 TYR 21 HE1 TYR 21 4.593 -10.332 -1.086 53 HH TYR 21 HH TYR 21 5.413 -13.525 -1.838 54 H GLN 22 H GLN 22 2.247 -8.846 3.162 55 HA GLN 22 HA GLN 22 4.831 -9.945 3.343 56 HB2 GLN 22 HB2 GLN 22 4.417 -7.680 2.513 57 HB3 GLN 22 HB3 GLN 22 3.789 -7.200 4.078 58 HG2 GLN 22 HG2 GLN 22 6.020 -6.354 3.723 59 HG3 GLN 22 HG3 GLN 22 5.977 -7.501 5.066 60 HE21 GLN 22 HE21 GLN 22 8.168 -7.881 4.926 61 HE22 GLN 22 HE22 GLN 22 8.870 -8.799 3.637 62 H GLN 23 H GLN 23 2.842 -8.307 5.790 63 HA GLN 23 HA GLN 23 4.521 -8.888 7.958 64 HB2 GLN 23 HB2 GLN 23 1.654 -8.045 7.800 65 HB3 GLN 23 HB3 GLN 23 2.326 -8.525 9.345 66 HG2 GLN 23 HG2 GLN 23 2.361 -6.117 9.075 67 HG3 GLN 23 HG3 GLN 23 3.991 -6.759 9.197 68 HE21 GLN 23 HE21 GLN 23 5.352 -6.655 7.381 69 HE22 GLN 23 HE22 GLN 23 4.978 -5.641 6.044 70 H LEU 24 H LEU 24 1.862 -10.684 6.596 71 HA LEU 24 HA LEU 24 1.486 -12.761 8.460 72 HB2 LEU 24 HB2 LEU 24 0.183 -12.550 6.385 73 HB3 LEU 24 HB3 LEU 24 1.611 -12.965 5.454 74 HG LEU 24 HG LEU 24 1.598 -15.081 6.978 75 HD11 LEU 24 HD11 LEU 24 -0.617 -15.911 7.470 76 HD12 LEU 24 HD12 LEU 24 -1.283 -14.332 7.052 77 HD13 LEU 24 HD13 LEU 24 -0.170 -14.491 8.413 78 HD21 LEU 24 HD21 LEU 24 1.496 -15.228 4.608 79 HD22 LEU 24 HD22 LEU 24 -0.216 -14.763 4.591 80 HD23 LEU 24 HD23 LEU 24 0.305 -16.290 5.327 81 H ARG 25 H ARG 25 3.672 -12.589 5.730 82 HA ARG 25 HA ARG 25 4.822 -15.083 6.220 83 HB2 ARG 25 HB2 ARG 25 4.439 -13.930 4.058 84 HB3 ARG 25 HB3 ARG 25 5.755 -12.850 4.461 85 HG2 ARG 25 HG2 ARG 25 7.274 -14.694 4.523 86 HG3 ARG 25 HG3 ARG 25 5.917 -15.801 4.220 87 HD2 ARG 25 HD2 ARG 25 5.473 -14.679 2.093 88 HD3 ARG 25 HD3 ARG 25 6.837 -13.609 2.372 89 HE ARG 25 HE ARG 25 7.826 -16.178 2.597 90 HH11 ARG 25 HH11 ARG 25 6.484 -14.112 -0.023 91 HH12 ARG 25 HH12 ARG 25 7.229 -15.068 -1.204 92 HH21 ARG 25 HH21 ARG 25 8.918 -17.318 0.818 93 HH22 ARG 25 HH22 ARG 25 8.557 -16.716 -0.765 94 H GLU 26 H GLU 26 5.794 -11.748 6.947 95 HA GLU 26 HA GLU 26 8.416 -12.252 7.774 96 HB2 GLU 26 HB2 GLU 26 6.472 -10.182 8.817 97 HB3 GLU 26 HB3 GLU 26 8.210 -10.162 9.087 98 HG2 GLU 26 HG2 GLU 26 8.616 -9.894 6.732 99 HG3 GLU 26 HG3 GLU 26 6.898 -10.054 6.389 100 H ARG 27 H ARG 27 5.377 -12.342 9.634 101 HA ARG 27 HA ARG 27 6.658 -13.037 12.063 102 HB2 ARG 27 HB2 ARG 27 4.511 -12.010 12.155 103 HB3 ARG 27 HB3 ARG 27 3.805 -13.319 11.204 104 HG2 ARG 27 HG2 ARG 27 4.107 -14.877 12.915 105 HG3 ARG 27 HG3 ARG 27 5.152 -13.789 13.826 106 HD2 ARG 27 HD2 ARG 27 3.461 -12.481 14.467 107 HD3 ARG 27 HD3 ARG 27 2.377 -13.010 13.180 108 HE ARG 27 HE ARG 27 3.180 -15.093 15.052 109 HH11 ARG 27 HH11 ARG 27 0.686 -12.665 14.487 110 HH12 ARG 27 HH12 ARG 27 -0.502 -13.517 15.377 111 HH21 ARG 27 HH21 ARG 27 1.741 -16.180 16.117 112 HH22 ARG 27 HH22 ARG 27 0.113 -15.680 16.402 113 H LEU 28 H LEU 28 5.359 -14.885 9.404 114 HA LEU 28 HA LEU 28 5.286 -17.394 10.698 115 HB2 LEU 28 HB2 LEU 28 5.562 -16.636 7.802 116 HB3 LEU 28 HB3 LEU 28 5.489 -18.302 8.329 117 HG LEU 28 HG LEU 28 3.294 -16.323 8.923 118 HD11 LEU 28 HD11 LEU 28 3.563 -16.535 6.508 119 HD12 LEU 28 HD12 LEU 28 2.117 -17.378 7.061 120 HD13 LEU 28 HD13 LEU 28 3.572 -18.289 6.665 121 HD21 LEU 28 HD21 LEU 28 3.363 -18.298 10.338 122 HD22 LEU 28 HD22 LEU 28 3.434 -19.320 8.896 123 HD23 LEU 28 HD23 LEU 28 2.003 -18.340 9.213 124 H ILE 29 H ILE 29 7.701 -15.807 8.752 125 HA ILE 29 HA ILE 29 9.713 -17.682 8.691 126 HB ILE 29 HB ILE 29 9.725 -14.676 8.876 127 HG12 ILE 29 HG12 ILE 29 10.371 -16.542 6.587 128 HG13 ILE 29 HG11 ILE 29 8.833 -15.729 6.834 129 HG21 ILE 29 HG21 ILE 29 11.767 -15.345 9.859 130 HG22 ILE 29 HG22 ILE 29 12.072 -14.651 8.256 131 HG23 ILE 29 HG23 ILE 29 12.138 -16.410 8.495 132 HD11 ILE 29 HD11 ILE 29 11.479 -14.395 6.314 133 HD12 ILE 29 HD12 ILE 29 9.940 -13.567 6.555 134 HD13 ILE 29 HD13 ILE 29 10.174 -14.609 5.150 135 H GLN 30 H GLN 30 9.076 -15.279 11.209 136 HA GLN 30 HA GLN 30 11.217 -16.178 12.849 137 HB2 GLN 30 HB2 GLN 30 8.934 -14.314 13.366 138 HB3 GLN 30 HB3 GLN 30 10.208 -14.640 14.543 139 HG2 GLN 30 HG2 GLN 30 10.598 -13.487 11.786 140 HG3 GLN 30 HG3 GLN 30 10.602 -12.589 13.305 141 HE21 GLN 30 HE21 GLN 30 12.695 -12.917 11.276 142 HE22 GLN 30 HE22 GLN 30 14.056 -13.558 12.143 143 H GLU 31 H GLU 31 7.707 -16.711 12.894 144 HA GLU 31 HA GLU 31 7.743 -17.930 15.467 145 HB2 GLU 31 HB2 GLU 31 5.765 -16.749 14.199 146 HB3 GLU 31 HB3 GLU 31 5.516 -18.340 13.528 147 HG2 GLU 31 HG2 GLU 31 5.232 -19.331 15.684 148 HG3 GLU 31 HG3 GLU 31 5.610 -17.810 16.484 149 H LEU 32 H LEU 32 8.002 -19.176 12.196 150 HA LEU 32 HA LEU 32 7.813 -21.924 13.056 151 HB2 LEU 32 HB2 LEU 32 8.341 -20.579 10.430 152 HB3 LEU 32 HB3 LEU 32 8.639 -22.283 10.638 153 HG LEU 32 HG LEU 32 6.248 -22.637 11.106 154 HD11 LEU 32 HD11 LEU 32 5.930 -19.722 10.461 155 HD12 LEU 32 HD12 LEU 32 5.560 -20.499 12.005 156 HD13 LEU 32 HD13 LEU 32 4.614 -20.884 10.559 157 HD21 LEU 32 HD21 LEU 32 6.961 -21.232 8.569 158 HD22 LEU 32 HD22 LEU 32 5.480 -22.178 8.787 159 HD23 LEU 32 HD23 LEU 32 7.068 -22.956 8.905 160 H ASN 33 H ASN 33 10.140 -19.598 13.314 161 HA ASN 33 HA ASN 33 12.381 -19.519 13.683 162 HB2 ASN 33 HB2 ASN 33 11.709 -21.540 15.195 163 HB3 ASN 33 HB3 ASN 33 12.327 -22.564 13.919 164 HD21 ASN 33 HD21 ASN 33 14.670 -20.943 13.342 165 HD22 ASN 33 HD22 ASN 33 15.735 -21.085 14.708 166 H LEU 34 H LEU 34 11.381 -19.620 11.103 167 HA LEU 34 HA LEU 34 13.381 -21.119 9.595 168 HB2 LEU 34 HB2 LEU 34 10.590 -20.235 8.877 169 HB3 LEU 34 HB3 LEU 34 11.734 -20.686 7.635 170 HG LEU 34 HG LEU 34 10.563 -22.391 9.821 171 HD11 LEU 34 HD11 LEU 34 10.366 -22.515 6.822 172 HD12 LEU 34 HD12 LEU 34 9.101 -21.991 7.933 173 HD13 LEU 34 HD13 LEU 34 9.663 -23.666 7.955 174 HD21 LEU 34 HD21 LEU 34 12.877 -23.070 9.565 175 HD22 LEU 34 HD22 LEU 34 12.704 -23.100 7.816 176 HD23 LEU 34 HD23 LEU 34 11.829 -24.270 8.805 177 H THR 35 H THR 35 13.482 -19.881 7.274 178 HA THR 35 HA THR 35 14.110 -17.088 7.849 179 HB THR 35 HB THR 35 16.094 -17.356 6.320 180 HG1 THR 35 HG1 THR 35 16.525 -19.897 6.316 181 HG21 THR 35 HG21 THR 35 17.545 -18.618 7.847 182 HG22 THR 35 HG22 THR 35 16.122 -19.296 8.638 183 HG23 THR 35 HG23 THR 35 16.453 -17.568 8.752 184 HA PRO 36 HA PRO 36 11.757 -16.210 4.142 185 HB2 PRO 36 HB2 PRO 36 13.548 -14.775 2.561 186 HB3 PRO 36 HB3 PRO 36 12.554 -14.075 3.855 187 HG2 PRO 36 HG2 PRO 36 15.397 -14.932 3.941 188 HG3 PRO 36 HG3 PRO 36 14.617 -13.520 4.684 189 HD2 PRO 36 HD2 PRO 36 15.238 -15.614 6.167 190 HD3 PRO 36 HD3 PRO 36 13.713 -14.753 6.419 191 H GLN 37 H GLN 37 14.794 -17.832 3.831 192 HA GLN 37 HA GLN 37 14.302 -18.584 1.059 193 HB2 GLN 37 HB2 GLN 37 16.624 -19.212 2.886 194 HB3 GLN 37 HB3 GLN 37 16.514 -19.688 1.197 195 HG2 GLN 37 HG2 GLN 37 16.579 -16.856 2.229 196 HG3 GLN 37 HG3 GLN 37 17.920 -17.725 1.486 197 HE21 GLN 37 HE21 GLN 37 16.582 -15.240 0.660 198 HE22 GLN 37 HE22 GLN 37 16.026 -15.557 -0.951 199 H GLN 38 H GLN 38 13.856 -19.790 4.234 200 HA GLN 38 HA GLN 38 13.593 -22.544 3.304 201 HB2 GLN 38 HB2 GLN 38 13.281 -21.367 6.072 202 HB3 GLN 38 HB3 GLN 38 13.088 -23.065 5.682 203 HG2 GLN 38 HG2 GLN 38 15.614 -21.449 5.449 204 HG3 GLN 38 HG3 GLN 38 15.247 -22.653 6.682 205 HE21 GLN 38 HE21 GLN 38 15.216 -24.848 6.082 206 HE22 GLN 38 HE22 GLN 38 16.005 -25.366 4.627 207 H LEU 39 H LEU 39 11.803 -19.899 3.189 208 HA LEU 39 HA LEU 39 9.334 -21.423 3.265 209 HB2 LEU 39 HB2 LEU 39 9.710 -19.947 5.378 210 HB3 LEU 39 HB3 LEU 39 9.486 -18.585 4.312 211 HG LEU 39 HG LEU 39 7.406 -20.716 4.845 212 HD11 LEU 39 HD11 LEU 39 6.324 -19.047 6.249 213 HD12 LEU 39 HD12 LEU 39 7.692 -17.957 6.015 214 HD13 LEU 39 HD13 LEU 39 7.915 -19.486 6.868 215 HD21 LEU 39 HD21 LEU 39 7.201 -18.005 3.561 216 HD22 LEU 39 HD22 LEU 39 5.846 -19.103 3.868 217 HD23 LEU 39 HD23 LEU 39 7.119 -19.551 2.719 218 H HIS 40 H HIS 40 9.635 -21.538 1.068 219 HA HIS 40 HA HIS 40 9.733 -19.131 -0.521 220 HB2 HIS 40 HB2 HIS 40 11.117 -21.080 -1.168 221 HB3 HIS 40 HB3 HIS 40 9.681 -22.079 -1.266 222 HD1 HIS 40 HD1 HIS 40 8.828 -22.389 -3.519 223 HD2 HIS 40 HD2 HIS 40 11.009 -18.879 -3.206 224 HE1 HIS 40 HE1 HIS 40 8.876 -21.392 -5.845 225 H GLU 41 H GLU 41 8.098 -19.027 -2.379 226 HA GLU 41 HA GLU 41 5.622 -18.411 -1.438 227 HB2 GLU 41 HB2 GLU 41 5.955 -19.425 -4.257 228 HB3 GLU 41 HB3 GLU 41 4.877 -18.179 -3.664 229 HG2 GLU 41 HG2 GLU 41 7.834 -18.007 -4.140 230 HG3 GLU 41 HG3 GLU 41 6.545 -17.093 -4.911 231 H GLU 42 H GLU 42 6.459 -21.493 -3.062 232 HA GLU 42 HA GLU 42 3.744 -22.401 -2.658 233 HB2 GLU 42 HB2 GLU 42 4.583 -24.388 -4.084 234 HB3 GLU 42 HB3 GLU 42 4.338 -22.828 -4.852 235 HG2 GLU 42 HG2 GLU 42 6.368 -23.896 -5.640 236 HG3 GLU 42 HG3 GLU 42 6.720 -22.407 -4.769 237 H SER 43 H SER 43 6.266 -22.419 -0.715 238 HA SER 43 HA SER 43 6.405 -25.138 0.030 239 HB2 SER 43 HB2 SER 43 7.165 -22.672 1.597 240 HB3 SER 43 HB3 SER 43 7.744 -24.318 1.872 241 HG SER 43 HG SER 43 8.176 -23.705 -0.696 242 H ASN 44 H ASN 44 5.054 -26.243 1.228 243 HA ASN 44 HA ASN 44 2.603 -25.175 2.231 244 HB2 ASN 44 HB2 ASN 44 3.230 -27.805 1.631 245 HB3 ASN 44 HB3 ASN 44 3.791 -27.681 3.215 246 HD21 ASN 44 HD21 ASN 44 1.379 -29.050 1.952 247 HD22 ASN 44 HD22 ASN 44 0.146 -28.741 3.122 248 H LEU 45 H LEU 45 2.310 -24.177 4.089 249 HA LEU 45 HA LEU 45 4.468 -23.752 5.896 250 HB2 LEU 45 HB2 LEU 45 1.560 -23.137 6.266 251 HB3 LEU 45 HB3 LEU 45 2.865 -22.555 7.278 252 HG LEU 45 HG LEU 45 2.397 -21.910 4.403 253 HD11 LEU 45 HD11 LEU 45 1.995 -19.632 5.298 254 HD12 LEU 45 HD12 LEU 45 2.221 -20.267 6.928 255 HD13 LEU 45 HD13 LEU 45 0.850 -20.810 5.954 256 HD21 LEU 45 HD21 LEU 45 4.575 -20.977 6.280 257 HD22 LEU 45 HD22 LEU 45 4.274 -20.308 4.677 258 HD23 LEU 45 HD23 LEU 45 4.788 -21.986 4.851 259 H ILE 46 H ILE 46 1.681 -25.822 5.908 260 HA ILE 46 HA ILE 46 1.840 -26.608 8.639 261 HB ILE 46 HB ILE 46 0.692 -28.165 6.288 262 HG12 ILE 46 HG12 ILE 46 -0.647 -26.308 8.277 263 HG13 ILE 46 HG11 ILE 46 -0.342 -25.960 6.580 264 HG21 ILE 46 HG21 ILE 46 -0.615 -29.396 7.976 265 HG22 ILE 46 HG22 ILE 46 0.229 -28.528 9.257 266 HG23 ILE 46 HG23 ILE 46 1.120 -29.628 8.207 267 HD11 ILE 46 HD11 ILE 46 -2.668 -26.552 6.961 268 HD12 ILE 46 HD12 ILE 46 -2.175 -28.100 7.649 269 HD13 ILE 46 HD13 ILE 46 -1.878 -27.757 5.945 270 H GLN 47 H GLN 47 3.250 -27.764 5.715 271 HA GLN 47 HA GLN 47 4.604 -30.027 6.844 272 HB2 GLN 47 HB2 GLN 47 4.968 -28.534 4.272 273 HB3 GLN 47 HB3 GLN 47 5.814 -29.986 4.526 274 HG2 GLN 47 HG2 GLN 47 2.842 -29.661 4.282 275 HG3 GLN 47 HG3 GLN 47 3.936 -30.500 3.188 276 HE21 GLN 47 HE21 GLN 47 4.737 -32.546 3.804 277 HE22 GLN 47 HE22 GLN 47 3.949 -33.455 5.051 278 H ALA 48 H ALA 48 5.095 -26.731 7.021 279 HA ALA 48 HA ALA 48 7.988 -26.954 7.370 280 HB1 ALA 48 HB1 ALA 48 6.293 -24.480 6.970 281 HB2 ALA 48 HB2 ALA 48 7.222 -25.298 5.720 282 HB3 ALA 48 HB3 ALA 48 8.051 -24.533 7.073 283 H GLY 49 H GLY 49 5.301 -27.181 9.237 284 HA2 GLY 49 HA2 GLY 49 5.806 -27.456 11.631 285 HA3 GLY 49 HA3 GLY 49 6.753 -25.987 11.523 286 H LEU 50 H LEU 50 3.926 -25.587 9.782 287 HA LEU 50 HA LEU 50 2.698 -23.971 11.921 288 HB2 LEU 50 HB2 LEU 50 2.928 -23.243 9.478 289 HB3 LEU 50 HB3 LEU 50 1.727 -24.457 9.106 290 HG LEU 50 HG LEU 50 0.272 -23.192 10.844 291 HD11 LEU 50 HD11 LEU 50 2.048 -21.795 11.692 292 HD12 LEU 50 HD12 LEU 50 0.751 -20.823 10.988 293 HD13 LEU 50 HD13 LEU 50 2.254 -21.065 10.102 294 HD21 LEU 50 HD21 LEU 50 -0.221 -23.311 8.454 295 HD22 LEU 50 HD22 LEU 50 0.893 -21.975 8.154 296 HD23 LEU 50 HD23 LEU 50 -0.569 -21.710 9.101 297 H ASP 51 H ASP 51 1.379 -24.998 13.341 298 HA ASP 51 HA ASP 51 0.072 -27.399 12.625 299 HB2 ASP 51 HB2 ASP 51 -0.995 -27.052 14.909 300 HB3 ASP 51 HB3 ASP 51 0.760 -27.152 14.922 301 HA 4HH 52 HA 4HH 52 -3.395 -25.341 11.269 302 H 4HH 52 H 4HH 52 -2.463 -27.339 13.193 303 HB3 4HH 52 HB3 4HH 52 -3.962 -27.698 10.708 304 HB2 4HH 52 HB2 4HH 52 -5.394 -26.759 11.118 305 HJ3 4HH 52 HJ3 4HH 52 -7.943 -28.109 13.721 306 HJ2 4HH 52 HJ2 4HH 52 -8.752 -29.148 12.565 307 HL13 4HH 52 HL13 4HH 52 -10.522 -26.203 10.966 308 HL12 4HH 52 HL12 4HH 52 -9.203 -27.044 10.246 309 HL11 4HH 52 HL11 4HH 52 -10.621 -27.922 10.958 310 HL21 4HH 52 HL21 4HH 52 -7.834 -25.503 11.920 311 HL23 4HH 52 HL23 4HH 52 -9.402 -24.924 12.342 312 HL22 4HH 52 HL22 4HH 52 -8.422 -25.452 13.639 313 HL3 4HH 52 HL3 4HH 52 -11.027 -28.055 13.423 314 HM 4HH 52 HM 4HH 52 -9.625 -26.136 14.960 315 HN 4HH 52 HN 4HH 52 -10.805 -24.283 14.128 316 HO2 4HH 52 HO2 4HH 52 -13.098 -25.644 15.323 317 HO3 4HH 52 HO3 4HH 52 -11.605 -25.453 16.307 318 HP3 4HH 52 HP3 4HH 52 -11.928 -22.990 15.884 319 HP2 4HH 52 HP2 4HH 52 -13.298 -23.738 16.752 320 HS2 4HH 52 HS2 4HH 52 -12.169 -20.819 14.328 321 HS3 4HH 52 HS3 4HH 52 -13.949 -20.644 14.113 322 HT3 4HH 52 HT3 4HH 52 -11.926 -20.825 11.920 323 HT2 4HH 52 HT2 4HH 52 -13.686 -20.852 11.710 324 HR 4HH 52 HR 4HH 52 -12.895 -23.029 12.965 325 HU 4HH 52 HU 4HH 52 -11.995 -18.244 13.155 326 H ILE 53 H ILE 53 -3.059 -25.769 14.346 327 HA ILE 53 HA ILE 53 -5.388 -24.260 15.030 328 HB ILE 53 HB ILE 53 -2.983 -25.036 16.674 329 HG12 ILE 53 HG12 ILE 53 -5.817 -26.044 16.425 330 HG13 ILE 53 HG11 ILE 53 -4.321 -26.923 16.179 331 HG21 ILE 53 HG21 ILE 53 -3.940 -22.886 17.518 332 HG22 ILE 53 HG22 ILE 53 -4.282 -24.190 18.655 333 HG23 ILE 53 HG23 ILE 53 -5.545 -23.618 17.566 334 HD11 ILE 53 HD11 ILE 53 -3.919 -26.862 18.605 335 HD12 ILE 53 HD12 ILE 53 -5.479 -27.609 18.179 336 HD13 ILE 53 HD13 ILE 53 -5.436 -25.960 18.780 337 H ARG 54 H ARG 54 -1.939 -23.755 14.486 338 HA ARG 54 HA ARG 54 -1.873 -20.964 14.780 339 HB2 ARG 54 HB2 ARG 54 -0.253 -22.957 13.413 340 HB3 ARG 54 HB3 ARG 54 -0.128 -21.291 12.870 341 HG2 ARG 54 HG2 ARG 54 0.333 -20.644 15.189 342 HG3 ARG 54 HG3 ARG 54 0.371 -22.375 15.596 343 HD2 ARG 54 HD2 ARG 54 1.999 -22.733 13.878 344 HD3 ARG 54 HD3 ARG 54 1.860 -21.001 13.518 345 HE ARG 54 HE ARG 54 2.995 -20.458 15.421 346 HH11 ARG 54 HH11 ARG 54 2.632 -23.966 15.384 347 HH12 ARG 54 HH12 ARG 54 4.201 -24.363 15.878 348 HH21 ARG 54 HH21 ARG 54 5.245 -20.941 16.206 349 HH22 ARG 54 HH22 ARG 54 5.769 -22.542 16.397 350 H LEU 55 H LEU 55 -2.613 -23.025 12.004 351 HA LEU 55 HA LEU 55 -2.866 -20.820 10.273 352 HB2 LEU 55 HB2 LEU 55 -2.485 -23.188 9.554 353 HB3 LEU 55 HB3 LEU 55 -4.177 -23.491 9.888 354 HG LEU 55 HG LEU 55 -3.313 -21.375 7.932 355 HD11 LEU 55 HD11 LEU 55 -3.831 -23.075 6.236 356 HD12 LEU 55 HD12 LEU 55 -3.715 -24.275 7.557 357 HD13 LEU 55 HD13 LEU 55 -2.321 -23.224 7.157 358 HD21 LEU 55 HD21 LEU 55 -5.610 -21.304 8.692 359 HD22 LEU 55 HD22 LEU 55 -5.865 -22.971 8.124 360 HD23 LEU 55 HD23 LEU 55 -5.482 -21.674 6.977 361 H MET 56 H MET 56 -5.334 -22.626 12.055 362 HA MET 56 HA MET 56 -7.441 -20.994 11.170 363 HB2 MET 56 HB2 MET 56 -7.885 -23.020 12.418 364 HB3 MET 56 HB3 MET 56 -7.114 -22.326 13.838 365 HG2 MET 56 HG2 MET 56 -8.940 -20.432 13.521 366 HG3 MET 56 HG3 MET 56 -9.790 -21.701 12.642 367 HE1 MET 56 HE1 MET 56 -7.395 -22.405 15.684 368 HE2 MET 56 HE2 MET 56 -8.404 -21.684 16.964 369 HE3 MET 56 HE3 MET 56 -7.841 -20.716 15.566 370 H ARG 57 H ARG 57 -5.079 -20.582 13.696 371 HA ARG 57 HA ARG 57 -6.180 -18.393 14.806 372 HB2 ARG 57 HB2 ARG 57 -3.503 -19.494 14.751 373 HB3 ARG 57 HB3 ARG 57 -3.657 -17.839 15.362 374 HG2 ARG 57 HG2 ARG 57 -5.351 -18.586 16.945 375 HG3 ARG 57 HG3 ARG 57 -5.221 -20.228 16.315 376 HD2 ARG 57 HD2 ARG 57 -2.964 -18.695 17.348 377 HD3 ARG 57 HD3 ARG 57 -4.005 -19.653 18.433 378 HE ARG 57 HE ARG 57 -3.158 -21.285 16.318 379 HH11 ARG 57 HH11 ARG 57 -1.561 -19.709 19.057 380 HH12 ARG 57 HH12 ARG 57 -0.400 -20.934 19.299 381 HH21 ARG 57 HH21 ARG 57 -1.473 -23.101 16.683 382 HH22 ARG 57 HH22 ARG 57 -0.379 -22.883 17.893 383 H TRP 58 H TRP 58 -4.277 -18.812 11.780 384 HA TRP 58 HA TRP 58 -3.742 -16.051 11.367 385 HB2 TRP 58 HB2 TRP 58 -3.621 -18.455 9.568 386 HB3 TRP 58 HB3 TRP 58 -3.372 -16.825 8.956 387 HD1 TRP 58 HD1 TRP 58 -1.440 -19.633 10.031 388 HE1 TRP 58 HE1 TRP 58 0.917 -18.901 10.831 389 HE3 TRP 58 HE3 TRP 58 -2.264 -14.623 10.558 390 HZ2 TRP 58 HZ2 TRP 58 2.245 -16.479 11.546 391 HZ3 TRP 58 HZ3 TRP 58 -0.418 -13.184 11.283 392 HH2 TRP 58 HH2 TRP 58 1.782 -14.111 11.761 393 H LEU 59 H LEU 59 -6.246 -18.278 10.432 394 HA LEU 59 HA LEU 59 -7.572 -16.590 8.619 395 HB2 LEU 59 HB2 LEU 59 -8.025 -19.047 8.975 396 HB3 LEU 59 HB3 LEU 59 -8.870 -18.630 10.443 397 HG LEU 59 HG LEU 59 -10.318 -19.153 8.433 398 HD11 LEU 59 HD11 LEU 59 -11.265 -18.036 10.316 399 HD12 LEU 59 HD12 LEU 59 -11.919 -17.403 8.795 400 HD13 LEU 59 HD13 LEU 59 -10.702 -16.483 9.687 401 HD21 LEU 59 HD21 LEU 59 -8.979 -18.008 6.752 402 HD22 LEU 59 HD22 LEU 59 -9.370 -16.455 7.499 403 HD23 LEU 59 HD23 LEU 59 -10.643 -17.431 6.773 404 H HIS 60 H HIS 60 -7.696 -16.871 12.068 405 HA HIS 60 HA HIS 60 -9.703 -15.021 12.643 406 HB2 HIS 60 HB2 HIS 60 -7.259 -15.913 14.130 407 HB3 HIS 60 HB3 HIS 60 -8.249 -14.602 14.758 408 HD1 HIS 60 HD1 HIS 60 -8.436 -18.305 13.999 409 HD2 HIS 60 HD2 HIS 60 -10.519 -15.284 15.860 410 HE1 HIS 60 HE1 HIS 60 -10.265 -19.461 15.316 411 H TRP 61 H TRP 61 -6.238 -14.568 12.213 412 HA TRP 61 HA TRP 61 -6.183 -11.802 12.561 413 HB2 TRP 61 HB2 TRP 61 -4.164 -13.173 12.631 414 HB3 TRP 61 HB3 TRP 61 -4.378 -13.617 10.947 415 HD1 TRP 61 HD1 TRP 61 -3.551 -10.479 13.077 416 HE1 TRP 61 HE1 TRP 61 -2.039 -8.937 11.633 417 HE3 TRP 61 HE3 TRP 61 -3.613 -13.102 8.691 418 HZ2 TRP 61 HZ2 TRP 61 -1.028 -8.857 9.027 419 HZ3 TRP 61 HZ3 TRP 61 -2.343 -12.224 6.780 420 HH2 TRP 61 HH2 TRP 61 -1.078 -10.150 6.953 421 H PHE 62 H PHE 62 -6.450 -13.741 9.599 422 HA PHE 62 HA PHE 62 -6.642 -11.665 7.752 423 HB2 PHE 62 HB2 PHE 62 -7.773 -14.458 7.665 424 HB3 PHE 62 HB3 PHE 62 -7.986 -13.339 6.333 425 HD1 PHE 62 HD2 PHE 62 -5.739 -12.231 5.497 426 HD2 PHE 62 HD1 PHE 62 -5.993 -15.920 7.587 427 HE1 PHE 62 HE2 PHE 62 -3.569 -12.918 4.562 428 HE2 PHE 62 HE1 PHE 62 -3.834 -16.607 6.655 429 HZ PHE 62 HZ PHE 62 -2.617 -15.104 5.139 430 H ARG 63 H ARG 63 -9.360 -13.371 9.321 431 HA ARG 63 HA ARG 63 -11.283 -11.676 8.089 432 HB2 ARG 63 HB2 ARG 63 -11.497 -13.598 10.338 433 HB3 ARG 63 HB3 ARG 63 -12.851 -12.598 9.814 434 HG2 ARG 63 HG2 ARG 63 -12.311 -13.488 7.468 435 HG3 ARG 63 HG3 ARG 63 -11.414 -14.745 8.329 436 HD2 ARG 63 HD2 ARG 63 -13.372 -15.314 9.586 437 HD3 ARG 63 HD3 ARG 63 -14.195 -13.936 8.825 438 HE ARG 63 HE ARG 63 -13.263 -15.614 6.816 439 HH11 ARG 63 HH11 ARG 63 -15.684 -15.749 9.368 440 HH12 ARG 63 HH12 ARG 63 -16.827 -16.653 8.493 441 HH21 ARG 63 HH21 ARG 63 -14.753 -16.813 5.572 442 HH22 ARG 63 HH22 ARG 63 -16.277 -17.293 6.191 443 H LYS 64 H LYS 64 -9.476 -11.407 10.970 444 HA LYS 64 HA LYS 64 -11.053 -9.290 12.113 445 HB2 LYS 64 HB2 LYS 64 -9.623 -10.901 13.354 446 HB3 LYS 64 HB3 LYS 64 -8.228 -10.151 12.608 447 HG2 LYS 64 HG2 LYS 64 -9.150 -7.986 13.702 448 HG3 LYS 64 HG3 LYS 64 -10.037 -9.115 14.730 449 HD2 LYS 64 HD2 LYS 64 -7.923 -8.542 15.760 450 HD3 LYS 64 HD3 LYS 64 -7.974 -10.250 15.272 451 HE2 LYS 64 HE2 LYS 64 -5.814 -8.954 14.712 452 HE3 LYS 64 HE3 LYS 64 -6.511 -9.894 13.410 453 HZ1 LYS 64 HZ1 LYS 64 -5.958 -7.778 12.500 454 HZ2 LYS 64 HZ2 LYS 64 -6.656 -6.919 13.775 455 HZ3 LYS 64 HZ3 LYS 64 -7.616 -7.737 12.671 456 H ASN 65 H ASN 65 -8.926 -9.530 9.513 457 HA ASN 65 HA ASN 65 -8.383 -6.650 9.516 458 HB2 ASN 65 HB2 ASN 65 -7.036 -8.953 8.065 459 HB3 ASN 65 HB3 ASN 65 -6.858 -7.302 7.495 460 HD21 ASN 65 HD21 ASN 65 -4.589 -7.337 7.845 461 HD22 ASN 65 HD22 ASN 65 -3.928 -7.292 9.407 462 H GLY 66 H GLY 66 -10.718 -8.590 8.755 463 HA2 GLY 66 HA2 GLY 66 -12.607 -8.108 7.537 464 HA3 GLY 66 HA3 GLY 66 -11.721 -6.841 6.712 465 H TYR 67 H TYR 67 -10.365 -10.046 6.737 466 HA TYR 67 HA TYR 67 -10.601 -10.096 3.919 467 HB2 TYR 67 HB2 TYR 67 -9.243 -11.810 5.862 468 HB3 TYR 67 HB3 TYR 67 -9.647 -12.544 4.306 469 HD1 TYR 67 HD1 TYR 67 -7.713 -9.909 5.973 470 HD2 TYR 67 HD2 TYR 67 -8.642 -11.815 2.296 471 HE1 TYR 67 HE1 TYR 67 -5.820 -8.767 4.894 472 HE2 TYR 67 HE2 TYR 67 -6.766 -10.679 1.217 473 HH TYR 67 HH TYR 67 -4.584 -8.630 3.066 474 H ARG 68 H ARG 68 -11.780 -10.983 2.589 475 HA ARG 68 HA ARG 68 -14.242 -12.224 3.469 476 HB2 ARG 68 HB2 ARG 68 -13.263 -11.177 0.835 477 HB3 ARG 68 HB3 ARG 68 -14.835 -11.903 1.024 478 HG2 ARG 68 HG2 ARG 68 -15.666 -9.994 1.637 479 HG3 ARG 68 HG3 ARG 68 -14.574 -9.917 3.003 480 HD2 ARG 68 HD2 ARG 68 -13.526 -9.186 0.318 481 HD3 ARG 68 HD3 ARG 68 -14.521 -8.004 1.167 482 HE ARG 68 HE ARG 68 -12.747 -8.606 3.060 483 HH11 ARG 68 HH11 ARG 68 -11.997 -7.916 -0.372 484 HH12 ARG 68 HH12 ARG 68 -10.574 -7.079 -0.020 485 HH21 ARG 68 HH21 ARG 68 -10.839 -7.421 3.514 486 HH22 ARG 68 HH22 ARG 68 -9.891 -6.731 2.296 487 H LEU 69 H LEU 69 -12.563 -14.015 4.004 488 HA LEU 69 HA LEU 69 -12.985 -16.071 2.037 489 HB2 LEU 69 HB2 LEU 69 -10.594 -16.895 2.101 490 HB3 LEU 69 HB3 LEU 69 -10.880 -15.435 1.198 491 HG LEU 69 HG LEU 69 -10.008 -14.227 3.322 492 HD11 LEU 69 HD11 LEU 69 -9.999 -16.185 4.795 493 HD12 LEU 69 HD12 LEU 69 -8.379 -15.488 4.587 494 HD13 LEU 69 HD13 LEU 69 -8.829 -16.939 3.699 495 HD21 LEU 69 HD21 LEU 69 -8.846 -14.253 1.193 496 HD22 LEU 69 HD22 LEU 69 -8.168 -15.836 1.564 497 HD23 LEU 69 HD23 LEU 69 -7.708 -14.433 2.527 498 H THR 70 H THR 70 -12.426 -18.293 2.820 499 HA THR 70 HA THR 70 -13.245 -18.373 5.624 500 HB THR 70 HB THR 70 -14.113 -20.621 5.156 501 HG1 THR 70 HG1 THR 70 -13.254 -20.097 2.485 502 HG21 THR 70 HG21 THR 70 -15.956 -20.005 3.650 503 HG22 THR 70 HG22 THR 70 -15.054 -18.577 3.138 504 HG23 THR 70 HG23 THR 70 -15.612 -18.715 4.804 505 H LEU 71 H LEU 71 -12.534 -20.249 6.859 506 HA LEU 71 HA LEU 71 -9.749 -20.416 7.165 507 HB2 LEU 71 HB2 LEU 71 -11.316 -20.789 8.998 508 HB3 LEU 71 HB3 LEU 71 -11.990 -22.161 8.162 509 HG LEU 71 HG LEU 71 -9.864 -23.355 8.412 510 HD11 LEU 71 HD11 LEU 71 -8.212 -22.504 10.010 511 HD12 LEU 71 HD12 LEU 71 -9.070 -20.963 10.034 512 HD13 LEU 71 HD13 LEU 71 -8.323 -21.550 8.533 513 HD21 LEU 71 HD21 LEU 71 -11.632 -23.707 10.046 514 HD22 LEU 71 HD22 LEU 71 -11.014 -22.355 11.014 515 HD23 LEU 71 HD23 LEU 71 -10.040 -23.795 10.797 516 H ARG 72 H ARG 72 -11.989 -22.491 5.509 517 HA ARG 72 HA ARG 72 -9.971 -24.486 5.417 518 HB2 ARG 72 HB2 ARG 72 -12.831 -24.624 4.637 519 HB3 ARG 72 HB3 ARG 72 -11.702 -25.980 4.483 520 HG2 ARG 72 HG2 ARG 72 -11.170 -25.903 6.853 521 HG3 ARG 72 HG3 ARG 72 -12.137 -24.458 7.057 522 HD2 ARG 72 HD2 ARG 72 -14.157 -25.822 6.584 523 HD3 ARG 72 HD3 ARG 72 -13.121 -27.257 6.510 524 HE ARG 72 HE ARG 72 -12.390 -26.287 8.850 525 HH11 ARG 72 HH11 ARG 72 -15.660 -26.834 7.631 526 HH12 ARG 72 HH12 ARG 72 -16.386 -26.919 9.168 527 HH21 ARG 72 HH21 ARG 72 -13.388 -26.356 11.027 528 HH22 ARG 72 HH22 ARG 72 -15.038 -26.640 11.148 529 H GLU 73 H GLU 73 -10.886 -22.061 3.334 530 HA GLU 73 HA GLU 73 -10.102 -23.300 0.988 531 HB2 GLU 73 HB2 GLU 73 -9.974 -20.398 1.838 532 HB3 GLU 73 HB3 GLU 73 -9.561 -20.919 0.211 533 HG2 GLU 73 HG2 GLU 73 -11.768 -21.661 -0.203 534 HG3 GLU 73 HG3 GLU 73 -12.223 -21.467 1.491 535 H LEU 74 H LEU 74 -8.298 -21.454 3.485 536 HA LEU 74 HA LEU 74 -5.757 -21.624 2.516 537 HB2 LEU 74 HB2 LEU 74 -6.865 -21.532 5.300 538 HB3 LEU 74 HB3 LEU 74 -5.143 -21.600 4.988 539 HG LEU 74 HG LEU 74 -5.332 -19.503 3.724 540 HD11 LEU 74 HD11 LEU 74 -8.103 -19.471 4.717 541 HD12 LEU 74 HD12 LEU 74 -7.496 -19.553 3.025 542 HD13 LEU 74 HD13 LEU 74 -7.201 -18.105 4.022 543 HD21 LEU 74 HD21 LEU 74 -6.303 -19.344 6.565 544 HD22 LEU 74 HD22 LEU 74 -5.602 -18.017 5.633 545 HD23 LEU 74 HD23 LEU 74 -4.622 -19.433 6.021 546 H TYR 75 H TYR 75 -7.719 -24.048 4.049 547 HA TYR 75 HA TYR 75 -5.476 -25.764 4.587 548 HB2 TYR 75 HB2 TYR 75 -8.412 -26.039 5.080 549 HB3 TYR 75 HB3 TYR 75 -7.369 -27.480 5.181 550 HD1 TYR 75 HD1 TYR 75 -5.110 -26.715 6.397 551 HD2 TYR 75 HD2 TYR 75 -8.984 -25.213 6.973 552 HE1 TYR 75 HE1 TYR 75 -4.472 -25.994 8.681 553 HE2 TYR 75 HE2 TYR 75 -8.393 -24.480 9.240 554 HH TYR 75 HH TYR 75 -6.650 -25.147 10.953 555 H ALA 76 H ALA 76 -7.469 -25.201 1.949 556 HA ALA 76 HA ALA 76 -7.129 -27.812 0.916 557 HB1 ALA 76 HB1 ALA 76 -8.213 -26.936 -1.127 558 HB2 ALA 76 HB2 ALA 76 -8.102 -25.305 -0.456 559 HB3 ALA 76 HB3 ALA 76 -9.108 -26.516 0.337 560 H ALA 77 H ALA 77 -5.542 -24.751 0.742 561 HA ALA 77 HA ALA 77 -3.260 -25.996 -0.515 562 HB1 ALA 77 HB1 ALA 77 -4.488 -23.477 -1.656 563 HB2 ALA 77 HB2 ALA 77 -4.497 -25.062 -2.430 564 HB3 ALA 77 HB3 ALA 77 -2.971 -24.212 -2.175 565 HA PRO 78 HA PRO 78 -2.161 -23.041 2.778 566 HB2 PRO 78 HB2 PRO 78 -0.599 -24.970 4.143 567 HB3 PRO 78 HB3 PRO 78 -2.228 -24.431 4.592 568 HG2 PRO 78 HG2 PRO 78 -1.553 -26.987 3.712 569 HG3 PRO 78 HG3 PRO 78 -3.188 -26.310 3.828 570 HD2 PRO 78 HD2 PRO 78 -1.454 -26.629 1.438 571 HD3 PRO 78 HD3 PRO 78 -3.225 -26.677 1.576 572 H THR 79 H THR 79 -0.932 -22.050 1.155 573 HA THR 79 HA THR 79 1.927 -22.462 1.394 574 HB THR 79 HB THR 79 2.187 -22.198 -1.092 575 HG1 THR 79 HG1 THR 79 -0.591 -22.751 -1.164 576 HG21 THR 79 HG21 THR 79 1.565 -24.488 -1.772 577 HG22 THR 79 HG22 THR 79 0.561 -24.634 -0.326 578 HG23 THR 79 HG23 THR 79 2.310 -24.474 -0.173 579 H LEU 80 H LEU 80 2.988 -20.430 0.855 580 HA LEU 80 HA LEU 80 1.309 -18.232 1.509 581 HB2 LEU 80 HB2 LEU 80 4.074 -18.760 1.574 582 HB3 LEU 80 HB3 LEU 80 3.864 -17.369 0.528 583 HG LEU 80 HG LEU 80 4.244 -16.607 2.858 584 HD11 LEU 80 HD11 LEU 80 2.560 -15.109 3.036 585 HD12 LEU 80 HD12 LEU 80 1.398 -16.178 2.252 586 HD13 LEU 80 HD13 LEU 80 2.719 -15.467 1.311 587 HD21 LEU 80 HD21 LEU 80 3.406 -18.603 3.955 588 HD22 LEU 80 HD22 LEU 80 1.749 -18.107 3.533 589 HD23 LEU 80 HD23 LEU 80 2.760 -17.087 4.567 590 H ALA 81 H ALA 81 2.544 -19.567 -1.405 591 HA ALA 81 HA ALA 81 2.120 -17.452 -3.198 592 HB1 ALA 81 HB1 ALA 81 1.829 -20.408 -3.751 593 HB2 ALA 81 HB2 ALA 81 3.353 -19.543 -3.759 594 HB3 ALA 81 HB3 ALA 81 2.111 -19.146 -4.948 595 H ALA 82 H ALA 82 -0.020 -20.189 -2.346 596 HA ALA 82 HA ALA 82 -2.148 -19.241 -3.945 597 HB1 ALA 82 HB1 ALA 82 -1.940 -21.606 -3.341 598 HB2 ALA 82 HB2 ALA 82 -3.511 -20.929 -2.900 599 HB3 ALA 82 HB3 ALA 82 -2.287 -21.195 -1.656 600 H TRP 83 H TRP 83 -1.342 -18.876 -0.529 601 HA TRP 83 HA TRP 83 -3.762 -17.682 0.214 602 HB2 TRP 83 HB2 TRP 83 -1.010 -17.446 1.365 603 HB3 TRP 83 HB3 TRP 83 -2.397 -16.617 2.054 604 HD1 TRP 83 HD1 TRP 83 -3.413 -20.001 0.826 605 HE1 TRP 83 HE1 TRP 83 -3.547 -21.622 2.775 606 HE3 TRP 83 HE3 TRP 83 -1.213 -17.109 4.320 607 HZ2 TRP 83 HZ2 TRP 83 -2.860 -21.637 5.488 608 HZ3 TRP 83 HZ3 TRP 83 -1.015 -17.982 6.646 609 HH2 TRP 83 HH2 TRP 83 -1.861 -20.222 7.188 610 H ASN 84 H ASN 84 -0.709 -16.191 -0.735 611 HA ASN 84 HA ASN 84 -1.455 -13.521 -0.690 612 HB2 ASN 84 HB2 ASN 84 0.838 -14.228 -1.106 613 HB3 ASN 84 HB3 ASN 84 0.405 -14.955 -2.633 614 HD21 ASN 84 HD21 ASN 84 1.960 -13.735 -3.678 615 HD22 ASN 84 HD22 ASN 84 1.786 -12.041 -3.967 616 H GLN 85 H GLN 85 -2.012 -15.894 -3.225 617 HA GLN 85 HA GLN 85 -3.346 -14.216 -5.069 618 HB2 GLN 85 HB2 GLN 85 -2.373 -16.455 -5.599 619 HB3 GLN 85 HB3 GLN 85 -3.586 -17.214 -4.606 620 HG2 GLN 85 HG2 GLN 85 -4.310 -15.614 -7.057 621 HG3 GLN 85 HG3 GLN 85 -3.848 -17.304 -7.154 622 HE21 GLN 85 HE21 GLN 85 -6.404 -15.054 -6.349 623 HE22 GLN 85 HE22 GLN 85 -7.564 -16.273 -6.038 624 H LEU 86 H LEU 86 -4.583 -16.455 -2.569 625 HA LEU 86 HA LEU 86 -7.318 -15.954 -2.872 626 HB2 LEU 86 HB2 LEU 86 -6.040 -16.643 -0.203 627 HB3 LEU 86 HB3 LEU 86 -7.675 -16.816 -0.702 628 HG LEU 86 HG LEU 86 -5.435 -18.394 -1.924 629 HD11 LEU 86 HD11 LEU 86 -5.768 -18.940 0.402 630 HD12 LEU 86 HD12 LEU 86 -6.362 -20.245 -0.642 631 HD13 LEU 86 HD13 LEU 86 -7.500 -19.108 0.107 632 HD21 LEU 86 HD21 LEU 86 -7.227 -19.758 -2.842 633 HD22 LEU 86 HD22 LEU 86 -7.354 -18.097 -3.429 634 HD23 LEU 86 HD23 LEU 86 -8.430 -18.677 -2.149 635 H MET 87 H MET 87 -4.904 -13.958 -1.522 636 HA MET 87 HA MET 87 -6.632 -12.636 0.392 637 HB2 MET 87 HB2 MET 87 -3.755 -12.291 -0.393 638 HB3 MET 87 HB3 MET 87 -4.541 -11.192 0.722 639 HG2 MET 87 HG2 MET 87 -4.956 -13.031 2.260 640 HG3 MET 87 HG3 MET 87 -4.279 -14.172 1.102 641 HE1 MET 87 HE1 MET 87 -2.930 -10.571 1.912 642 HE2 MET 87 HE2 MET 87 -1.856 -10.926 3.264 643 HE3 MET 87 HE3 MET 87 -3.595 -11.156 3.432 644 H LEU 88 H LEU 88 -4.879 -11.964 -2.552 645 HA LEU 88 HA LEU 88 -5.702 -9.301 -2.741 646 HB2 LEU 88 HB2 LEU 88 -3.667 -9.779 -3.685 647 HB3 LEU 88 HB3 LEU 88 -4.208 -11.314 -4.335 648 HG LEU 88 HG LEU 88 -5.569 -10.231 -5.759 649 HD11 LEU 88 HD11 LEU 88 -5.014 -7.684 -6.328 650 HD12 LEU 88 HD12 LEU 88 -4.128 -7.687 -4.804 651 HD13 LEU 88 HD13 LEU 88 -5.869 -7.970 -4.811 652 HD21 LEU 88 HD21 LEU 88 -3.507 -11.006 -6.618 653 HD22 LEU 88 HD22 LEU 88 -2.659 -9.559 -6.052 654 HD23 LEU 88 HD23 LEU 88 -3.792 -9.441 -7.395 655 H SER 89 H SER 89 -6.764 -12.325 -4.300 656 HA SER 89 HA SER 89 -8.511 -11.006 -5.982 657 HB2 SER 89 HB2 SER 89 -8.575 -13.889 -5.100 658 HB3 SER 89 HB3 SER 89 -9.311 -13.227 -6.563 659 HG SER 89 HG SER 89 -7.346 -12.838 -7.425 660 H ARG 90 H ARG 90 -8.843 -10.967 -2.773 661 HA ARG 90 HA ARG 90 -11.778 -11.306 -2.713 662 HB2 ARG 90 HB2 ARG 90 -9.989 -10.416 -0.439 663 HB3 ARG 90 HB3 ARG 90 -11.662 -10.931 -0.326 664 HG2 ARG 90 HG2 ARG 90 -9.294 -12.630 -1.023 665 HG3 ARG 90 HG3 ARG 90 -10.201 -12.638 0.487 666 HD2 ARG 90 HD2 ARG 90 -12.079 -13.599 -0.521 667 HD3 ARG 90 HD3 ARG 90 -11.492 -13.234 -2.155 668 HE ARG 90 HE ARG 90 -9.583 -14.758 -1.391 669 HH11 ARG 90 HH11 ARG 90 -12.995 -15.381 -0.514 670 HH12 ARG 90 HH12 ARG 90 -12.803 -17.086 -0.644 671 HH21 ARG 90 HH21 ARG 90 -9.465 -17.165 -1.561 672 HH22 ARG 90 HH22 ARG 90 -10.899 -18.035 -1.206 673 H SER 91 H SER 91 -9.430 -9.091 -3.413 674 HA SER 91 HA SER 91 -11.224 -6.820 -2.979 675 HB2 SER 91 HB2 SER 91 -8.187 -6.870 -3.024 676 HB3 SER 91 HB3 SER 91 -9.220 -5.513 -2.569 677 HG SER 91 HG SER 91 -8.639 -7.872 -1.202 678 HA PRO 92 HA PRO 92 -10.615 -6.167 -7.453 679 HB2 PRO 92 HB2 PRO 92 -9.147 -3.619 -6.952 680 HB3 PRO 92 HB3 PRO 92 -10.587 -3.893 -7.956 681 HG2 PRO 92 HG2 PRO 92 -10.825 -2.652 -5.653 682 HG3 PRO 92 HG3 PRO 92 -12.038 -3.839 -6.175 683 HD2 PRO 92 HD2 PRO 92 -9.864 -4.147 -4.157 684 HD3 PRO 92 HD3 PRO 92 -11.531 -4.758 -4.126 685 H GLU 93 H GLU 93 -9.124 -7.259 -8.575 686 HA GLU 93 HA GLU 93 -6.529 -7.698 -7.594 687 HB2 GLU 93 HB2 GLU 93 -7.783 -8.518 -10.219 688 HB3 GLU 93 HB3 GLU 93 -6.281 -9.153 -9.559 689 HG2 GLU 93 HG2 GLU 93 -7.523 -10.010 -7.615 690 HG3 GLU 93 HG3 GLU 93 -9.022 -9.438 -8.340 Start of MODEL 11 1 H ASP 14 HT1 ASP 14 5.535 -4.859 -1.555 2 HA ASP 14 HA ASP 14 4.964 -6.106 -3.548 3 HB2 ASP 14 HB2 ASP 14 3.134 -7.537 -2.643 4 HB3 ASP 14 HB3 ASP 14 4.292 -7.130 -1.375 5 H ASN 15 H ASN 15 2.067 -6.748 -3.901 6 HA ASN 15 HA ASN 15 1.489 -4.817 -5.904 7 HB2 ASN 15 HB2 ASN 15 0.909 -7.192 -6.177 8 HB3 ASN 15 HB3 ASN 15 -0.136 -7.116 -4.774 9 HD21 ASN 15 HD21 ASN 15 -0.777 -7.956 -7.479 10 HD22 ASN 15 HD22 ASN 15 -2.105 -6.998 -7.970 11 H ARG 16 H ARG 16 -0.140 -5.695 -2.778 12 HA ARG 16 HA ARG 16 -1.082 -3.100 -2.222 13 HB2 ARG 16 HB2 ARG 16 -2.918 -4.774 -3.882 14 HB3 ARG 16 HB3 ARG 16 -3.620 -3.823 -2.592 15 HG2 ARG 16 HG2 ARG 16 -2.887 -1.794 -3.609 16 HG3 ARG 16 HG3 ARG 16 -1.907 -2.681 -4.780 17 HD2 ARG 16 HD2 ARG 16 -4.801 -3.229 -4.566 18 HD3 ARG 16 HD3 ARG 16 -4.275 -1.797 -5.499 19 HE ARG 16 HE ARG 16 -3.039 -4.313 -6.179 20 HH11 ARG 16 HH11 ARG 16 -5.796 -2.143 -6.863 21 HH12 ARG 16 HH12 ARG 16 -6.152 -3.033 -8.311 22 HH21 ARG 16 HH21 ARG 16 -3.713 -5.400 -8.230 23 HH22 ARG 16 HH22 ARG 16 -5.040 -4.692 -9.013 24 H HIS 17 H HIS 17 -3.294 -5.773 -1.970 25 HA HIS 17 HA HIS 17 -3.548 -5.464 0.862 26 HB2 HIS 17 HB2 HIS 17 -4.760 -7.292 -1.156 27 HB3 HIS 17 HB3 HIS 17 -5.006 -7.587 0.568 28 HD1 HIS 17 HD1 HIS 17 -6.410 -5.884 1.849 29 HD2 HIS 17 HD2 HIS 17 -6.081 -5.083 -2.204 30 HE1 HIS 17 HE1 HIS 17 -8.181 -4.129 1.331 31 H ALA 18 H ALA 18 -1.627 -7.290 -1.045 32 HA ALA 18 HA ALA 18 -1.098 -9.250 0.833 33 HB1 ALA 18 HB1 ALA 18 -0.903 -9.615 -1.418 34 HB2 ALA 18 HB2 ALA 18 0.640 -10.004 -0.630 35 HB3 ALA 18 HB3 ALA 18 0.469 -8.511 -1.621 36 H ALA 19 H ALA 19 -0.190 -6.012 0.769 37 HA ALA 19 HA ALA 19 2.101 -5.937 2.259 38 HB1 ALA 19 HB1 ALA 19 0.775 -3.954 1.585 39 HB2 ALA 19 HB2 ALA 19 1.239 -3.906 3.287 40 HB3 ALA 19 HB3 ALA 19 -0.409 -4.347 2.833 41 H ASP 20 H ASP 20 -1.163 -6.944 3.406 42 HA ASP 20 HA ASP 20 -0.437 -7.432 6.116 43 HB2 ASP 20 HB2 ASP 20 -2.545 -8.748 4.380 44 HB3 ASP 20 HB3 ASP 20 -2.330 -9.144 6.072 45 H TYR 21 H TYR 21 -0.402 -9.353 3.242 46 HA TYR 21 HA TYR 21 0.449 -11.884 4.142 47 HB2 TYR 21 HB2 TYR 21 -0.300 -11.494 1.888 48 HB3 TYR 21 HB3 TYR 21 0.994 -10.364 1.607 49 HD1 TYR 21 HD2 TYR 21 3.540 -11.484 1.527 50 HD2 TYR 21 HD1 TYR 21 -0.178 -13.605 1.186 51 HE1 TYR 21 HE2 TYR 21 4.640 -13.212 0.318 52 HE2 TYR 21 HE1 TYR 21 0.989 -15.342 -0.032 53 HH TYR 21 HH TYR 21 4.425 -15.441 -0.446 54 H GLN 22 H GLN 22 2.248 -9.000 3.354 55 HA GLN 22 HA GLN 22 4.876 -9.883 3.609 56 HB2 GLN 22 HB2 GLN 22 4.284 -7.669 2.804 57 HB3 GLN 22 HB3 GLN 22 3.649 -7.236 4.381 58 HG2 GLN 22 HG2 GLN 22 5.894 -7.465 5.317 59 HG3 GLN 22 HG3 GLN 22 6.525 -7.792 3.697 60 HE21 GLN 22 HE21 GLN 22 4.568 -5.836 2.517 61 HE22 GLN 22 HE22 GLN 22 5.238 -4.293 2.910 62 H GLN 23 H GLN 23 2.730 -8.518 6.100 63 HA GLN 23 HA GLN 23 4.508 -8.996 8.215 64 HB2 GLN 23 HB2 GLN 23 1.602 -8.277 8.131 65 HB3 GLN 23 HB3 GLN 23 2.300 -8.848 9.633 66 HG2 GLN 23 HG2 GLN 23 3.293 -6.496 8.047 67 HG3 GLN 23 HG3 GLN 23 2.332 -6.428 9.531 68 HE21 GLN 23 HE21 GLN 23 5.467 -7.090 8.187 69 HE22 GLN 23 HE22 GLN 23 6.307 -7.263 9.673 70 H LEU 24 H LEU 24 1.840 -10.827 6.920 71 HA LEU 24 HA LEU 24 1.745 -13.041 8.655 72 HB2 LEU 24 HB2 LEU 24 0.174 -12.745 6.795 73 HB3 LEU 24 HB3 LEU 24 1.488 -12.945 5.654 74 HG LEU 24 HG LEU 24 1.795 -15.262 6.534 75 HD11 LEU 24 HD11 LEU 24 -0.822 -14.728 7.896 76 HD12 LEU 24 HD12 LEU 24 0.733 -15.063 8.668 77 HD13 LEU 24 HD13 LEU 24 -0.061 -16.306 7.701 78 HD21 LEU 24 HD21 LEU 24 0.598 -14.759 4.442 79 HD22 LEU 24 HD22 LEU 24 -0.931 -14.764 5.315 80 HD23 LEU 24 HD23 LEU 24 0.092 -16.220 5.237 81 H ARG 25 H ARG 25 3.708 -12.631 5.765 82 HA ARG 25 HA ARG 25 5.039 -15.027 5.981 83 HB2 ARG 25 HB2 ARG 25 4.853 -13.506 3.990 84 HB3 ARG 25 HB3 ARG 25 6.112 -12.519 4.729 85 HG2 ARG 25 HG2 ARG 25 7.561 -14.487 4.794 86 HG3 ARG 25 HG3 ARG 25 6.256 -15.371 3.984 87 HD2 ARG 25 HD2 ARG 25 6.398 -13.835 2.083 88 HD3 ARG 25 HD3 ARG 25 7.714 -12.991 2.869 89 HE ARG 25 HE ARG 25 8.578 -15.569 2.911 90 HH11 ARG 25 HH11 ARG 25 7.786 -13.329 0.307 91 HH12 ARG 25 HH12 ARG 25 8.477 -14.340 -0.892 92 HH21 ARG 25 HH21 ARG 25 9.749 -16.773 1.273 93 HH22 ARG 25 HH22 ARG 25 9.677 -16.195 -0.337 94 H GLU 26 H GLU 26 6.001 -11.762 7.090 95 HA GLU 26 HA GLU 26 8.574 -12.407 7.998 96 HB2 GLU 26 HB2 GLU 26 7.497 -10.087 7.784 97 HB3 GLU 26 HB3 GLU 26 6.759 -10.407 9.347 98 HG2 GLU 26 HG2 GLU 26 9.297 -10.965 9.964 99 HG3 GLU 26 HG3 GLU 26 9.574 -9.806 8.670 100 H ARG 27 H ARG 27 5.445 -12.414 9.657 101 HA ARG 27 HA ARG 27 6.323 -13.114 12.244 102 HB2 ARG 27 HB2 ARG 27 4.010 -12.332 11.109 103 HB3 ARG 27 HB3 ARG 27 3.709 -14.042 11.392 104 HG2 ARG 27 HG2 ARG 27 2.975 -13.042 13.317 105 HG3 ARG 27 HG3 ARG 27 4.578 -13.621 13.740 106 HD2 ARG 27 HD2 ARG 27 4.012 -10.780 12.865 107 HD3 ARG 27 HD3 ARG 27 4.029 -11.285 14.547 108 HE ARG 27 HE ARG 27 6.386 -11.897 14.185 109 HH11 ARG 27 HH11 ARG 27 4.961 -9.453 11.926 110 HH12 ARG 27 HH12 ARG 27 6.476 -8.770 11.609 111 HH21 ARG 27 HH21 ARG 27 8.423 -10.765 13.729 112 HH22 ARG 27 HH22 ARG 27 8.383 -9.488 12.611 113 H LEU 28 H LEU 28 5.245 -15.021 9.467 114 HA LEU 28 HA LEU 28 5.137 -17.535 10.782 115 HB2 LEU 28 HB2 LEU 28 5.560 -16.859 7.871 116 HB3 LEU 28 HB3 LEU 28 5.305 -18.476 8.478 117 HG LEU 28 HG LEU 28 3.276 -16.264 8.733 118 HD11 LEU 28 HD11 LEU 28 3.700 -16.724 6.400 119 HD12 LEU 28 HD12 LEU 28 2.142 -17.413 6.872 120 HD13 LEU 28 HD13 LEU 28 3.552 -18.456 6.688 121 HD21 LEU 28 HD21 LEU 28 1.750 -18.109 9.124 122 HD22 LEU 28 HD22 LEU 28 3.021 -18.068 10.349 123 HD23 LEU 28 HD23 LEU 28 3.086 -19.256 9.039 124 H ILE 29 H ILE 29 7.546 -15.966 8.784 125 HA ILE 29 HA ILE 29 9.530 -17.898 8.711 126 HB ILE 29 HB ILE 29 9.551 -14.891 8.675 127 HG12 ILE 29 HG12 ILE 29 10.164 -16.941 6.543 128 HG13 ILE 29 HG11 ILE 29 8.636 -16.096 6.745 129 HG21 ILE 29 HG21 ILE 29 11.626 -15.426 9.668 130 HG22 ILE 29 HG22 ILE 29 11.888 -14.887 7.996 131 HG23 ILE 29 HG23 ILE 29 11.992 -16.608 8.402 132 HD11 ILE 29 HD11 ILE 29 9.929 -15.132 4.952 133 HD12 ILE 29 HD12 ILE 29 11.286 -14.872 6.042 134 HD13 ILE 29 HD13 ILE 29 9.783 -13.972 6.276 135 H GLN 30 H GLN 30 8.986 -15.404 11.119 136 HA GLN 30 HA GLN 30 11.149 -16.218 12.768 137 HB2 GLN 30 HB2 GLN 30 8.829 -14.367 13.156 138 HB3 GLN 30 HB3 GLN 30 10.050 -14.631 14.411 139 HG2 GLN 30 HG2 GLN 30 11.763 -13.750 13.014 140 HG3 GLN 30 HG3 GLN 30 10.696 -13.747 11.614 141 HE21 GLN 30 HE21 GLN 30 11.046 -11.612 11.260 142 HE22 GLN 30 HE22 GLN 30 10.344 -10.351 12.173 143 H GLU 31 H GLU 31 7.683 -16.929 12.775 144 HA GLU 31 HA GLU 31 7.689 -18.184 15.325 145 HB2 GLU 31 HB2 GLU 31 5.630 -17.205 14.313 146 HB3 GLU 31 HB3 GLU 31 5.700 -18.426 13.070 147 HG2 GLU 31 HG2 GLU 31 5.253 -20.182 14.589 148 HG3 GLU 31 HG3 GLU 31 5.455 -19.120 15.974 149 H LEU 32 H LEU 32 7.956 -19.410 12.027 150 HA LEU 32 HA LEU 32 8.036 -22.164 12.889 151 HB2 LEU 32 HB2 LEU 32 8.369 -20.833 10.217 152 HB3 LEU 32 HB3 LEU 32 8.716 -22.525 10.444 153 HG LEU 32 HG LEU 32 6.333 -22.905 11.049 154 HD11 LEU 32 HD11 LEU 32 5.966 -20.032 10.250 155 HD12 LEU 32 HD12 LEU 32 5.663 -20.715 11.852 156 HD13 LEU 32 HD13 LEU 32 4.669 -21.197 10.470 157 HD21 LEU 32 HD21 LEU 32 5.491 -22.588 8.739 158 HD22 LEU 32 HD22 LEU 32 7.094 -23.329 8.858 159 HD23 LEU 32 HD23 LEU 32 6.952 -21.633 8.419 160 H ASN 33 H ASN 33 10.241 -19.741 13.047 161 HA ASN 33 HA ASN 33 12.509 -19.555 13.281 162 HB2 ASN 33 HB2 ASN 33 11.991 -21.582 14.842 163 HB3 ASN 33 HB3 ASN 33 12.576 -22.598 13.542 164 HD21 ASN 33 HD21 ASN 33 14.837 -20.940 12.823 165 HD22 ASN 33 HD22 ASN 33 15.972 -21.022 14.137 166 H LEU 34 H LEU 34 11.380 -19.731 10.766 167 HA LEU 34 HA LEU 34 13.346 -21.180 9.163 168 HB2 LEU 34 HB2 LEU 34 10.512 -20.350 8.592 169 HB3 LEU 34 HB3 LEU 34 11.590 -20.742 7.274 170 HG LEU 34 HG LEU 34 10.566 -22.510 9.489 171 HD11 LEU 34 HD11 LEU 34 9.029 -22.148 7.664 172 HD12 LEU 34 HD12 LEU 34 9.633 -23.806 7.650 173 HD13 LEU 34 HD13 LEU 34 10.266 -22.627 6.501 174 HD21 LEU 34 HD21 LEU 34 12.883 -23.140 9.154 175 HD22 LEU 34 HD22 LEU 34 12.653 -23.165 7.409 176 HD23 LEU 34 HD23 LEU 34 11.835 -24.354 8.422 177 H THR 35 H THR 35 13.486 -19.979 6.876 178 HA THR 35 HA THR 35 14.151 -17.185 7.455 179 HB THR 35 HB THR 35 15.928 -17.481 5.709 180 HG1 THR 35 HG1 THR 35 16.442 -19.716 5.208 181 HG21 THR 35 HG21 THR 35 17.489 -18.822 7.068 182 HG22 THR 35 HG22 THR 35 16.131 -19.444 8.007 183 HG23 THR 35 HG23 THR 35 16.542 -17.731 8.081 184 HA PRO 36 HA PRO 36 11.590 -16.145 3.901 185 HB2 PRO 36 HB2 PRO 36 13.881 -14.839 2.531 186 HB3 PRO 36 HB3 PRO 36 12.325 -14.137 3.019 187 HG2 PRO 36 HG2 PRO 36 14.531 -13.520 4.327 188 HG3 PRO 36 HG3 PRO 36 12.994 -13.754 5.181 189 HD2 PRO 36 HD2 PRO 36 15.328 -15.594 4.982 190 HD3 PRO 36 HD3 PRO 36 14.278 -15.247 6.372 191 H GLN 37 H GLN 37 14.615 -17.703 3.433 192 HA GLN 37 HA GLN 37 14.128 -18.490 0.701 193 HB2 GLN 37 HB2 GLN 37 16.291 -19.310 2.652 194 HB3 GLN 37 HB3 GLN 37 16.202 -19.869 0.994 195 HG2 GLN 37 HG2 GLN 37 17.831 -18.141 1.094 196 HG3 GLN 37 HG3 GLN 37 16.431 -17.494 0.255 197 HE21 GLN 37 HE21 GLN 37 17.014 -15.388 0.694 198 HE22 GLN 37 HE22 GLN 37 16.901 -14.690 2.271 199 H GLN 38 H GLN 38 14.102 -19.998 3.909 200 HA GLN 38 HA GLN 38 13.389 -22.580 2.867 201 HB2 GLN 38 HB2 GLN 38 13.190 -21.519 5.693 202 HB3 GLN 38 HB3 GLN 38 12.937 -23.190 5.223 203 HG2 GLN 38 HG2 GLN 38 15.511 -21.643 5.012 204 HG3 GLN 38 HG3 GLN 38 15.130 -22.886 6.200 205 HE21 GLN 38 HE21 GLN 38 15.049 -25.052 5.523 206 HE22 GLN 38 HE22 GLN 38 15.778 -25.532 4.026 207 H LEU 39 H LEU 39 11.715 -19.809 4.129 208 HA LEU 39 HA LEU 39 9.208 -21.185 3.643 209 HB2 LEU 39 HB2 LEU 39 9.807 -20.116 5.947 210 HB3 LEU 39 HB3 LEU 39 9.515 -18.592 5.143 211 HG LEU 39 HG LEU 39 7.440 -20.771 5.339 212 HD11 LEU 39 HD11 LEU 39 7.831 -18.378 7.122 213 HD12 LEU 39 HD12 LEU 39 8.169 -20.050 7.562 214 HD13 LEU 39 HD13 LEU 39 6.516 -19.554 7.195 215 HD21 LEU 39 HD21 LEU 39 7.274 -17.825 4.801 216 HD22 LEU 39 HD22 LEU 39 5.906 -18.941 4.921 217 HD23 LEU 39 HD23 LEU 39 7.082 -19.110 3.606 218 H HIS 40 H HIS 40 9.274 -20.978 1.551 219 HA HIS 40 HA HIS 40 9.423 -18.388 0.217 220 HB2 HIS 40 HB2 HIS 40 10.854 -20.467 -0.367 221 HB3 HIS 40 HB3 HIS 40 9.362 -21.184 -0.939 222 HD1 HIS 40 HD1 HIS 40 8.578 -20.445 -3.426 223 HD2 HIS 40 HD2 HIS 40 11.852 -18.331 -1.908 224 HE1 HIS 40 HE1 HIS 40 9.545 -19.424 -5.287 225 H GLU 41 H GLU 41 7.709 -18.174 -1.526 226 HA GLU 41 HA GLU 41 5.110 -18.308 -0.740 227 HB2 GLU 41 HB2 GLU 41 6.439 -18.333 -3.432 228 HB3 GLU 41 HB3 GLU 41 4.694 -18.407 -3.325 229 HG2 GLU 41 HG2 GLU 41 5.765 -16.128 -3.697 230 HG3 GLU 41 HG3 GLU 41 4.531 -16.254 -2.453 231 H GLU 42 H GLU 42 6.840 -20.709 -2.587 232 HA GLU 42 HA GLU 42 4.691 -22.575 -2.822 233 HB2 GLU 42 HB2 GLU 42 7.582 -22.569 -3.553 234 HB3 GLU 42 HB3 GLU 42 6.693 -24.037 -3.772 235 HG2 GLU 42 HG2 GLU 42 6.825 -22.854 -5.847 236 HG3 GLU 42 HG3 GLU 42 5.153 -22.790 -5.294 237 H SER 43 H SER 43 6.452 -21.909 -0.109 238 HA SER 43 HA SER 43 6.952 -24.634 0.659 239 HB2 SER 43 HB2 SER 43 7.084 -22.085 2.294 240 HB3 SER 43 HB3 SER 43 7.666 -23.668 2.813 241 HG SER 43 HG SER 43 9.476 -23.056 1.924 242 H ASN 44 H ASN 44 5.437 -25.924 1.378 243 HA ASN 44 HA ASN 44 2.828 -25.069 2.182 244 HB2 ASN 44 HB2 ASN 44 3.411 -27.458 1.260 245 HB3 ASN 44 HB3 ASN 44 4.177 -27.690 2.776 246 HD21 ASN 44 HD21 ASN 44 1.756 -28.917 1.447 247 HD22 ASN 44 HD22 ASN 44 0.550 -28.894 2.685 248 H LEU 45 H LEU 45 2.312 -24.280 4.102 249 HA LEU 45 HA LEU 45 4.387 -23.899 6.036 250 HB2 LEU 45 HB2 LEU 45 1.482 -23.203 6.232 251 HB3 LEU 45 HB3 LEU 45 2.752 -22.653 7.310 252 HG LEU 45 HG LEU 45 2.472 -22.022 4.401 253 HD11 LEU 45 HD11 LEU 45 2.222 -20.333 6.881 254 HD12 LEU 45 HD12 LEU 45 0.888 -20.844 5.842 255 HD13 LEU 45 HD13 LEU 45 2.110 -19.723 5.230 256 HD21 LEU 45 HD21 LEU 45 4.397 -20.518 4.737 257 HD22 LEU 45 HD22 LEU 45 4.829 -22.207 5.011 258 HD23 LEU 45 HD23 LEU 45 4.576 -21.133 6.380 259 H ILE 46 H ILE 46 1.523 -25.870 5.916 260 HA ILE 46 HA ILE 46 1.650 -26.669 8.654 261 HB ILE 46 HB ILE 46 0.301 -28.085 6.320 262 HG12 ILE 46 HG12 ILE 46 -0.777 -26.095 8.338 263 HG13 ILE 46 HG11 ILE 46 -0.501 -25.804 6.626 264 HG21 ILE 46 HG21 ILE 46 -1.084 -29.190 8.035 265 HG22 ILE 46 HG22 ILE 46 -0.132 -28.414 9.299 266 HG23 ILE 46 HG23 ILE 46 0.624 -29.594 8.228 267 HD11 ILE 46 HD11 ILE 46 -2.511 -27.728 7.791 268 HD12 ILE 46 HD12 ILE 46 -2.243 -27.433 6.074 269 HD13 ILE 46 HD13 ILE 46 -2.864 -26.143 7.103 270 H GLN 47 H GLN 47 2.904 -27.859 5.693 271 HA GLN 47 HA GLN 47 4.125 -30.213 6.781 272 HB2 GLN 47 HB2 GLN 47 4.051 -28.813 4.220 273 HB3 GLN 47 HB3 GLN 47 5.290 -30.017 4.304 274 HG2 GLN 47 HG2 GLN 47 2.293 -30.290 4.480 275 HG3 GLN 47 HG3 GLN 47 3.379 -30.975 3.273 276 HE21 GLN 47 HE21 GLN 47 4.627 -32.800 3.838 277 HE22 GLN 47 HE22 GLN 47 4.177 -33.777 5.197 278 H ALA 48 H ALA 48 4.904 -26.985 6.916 279 HA ALA 48 HA ALA 48 7.791 -27.446 7.032 280 HB1 ALA 48 HB1 ALA 48 6.263 -24.828 7.089 281 HB2 ALA 48 HB2 ALA 48 7.032 -25.533 5.678 282 HB3 ALA 48 HB3 ALA 48 8.016 -25.005 7.042 283 H GLY 49 H GLY 49 5.192 -25.958 8.971 284 HA2 GLY 49 HA2 GLY 49 5.800 -27.101 11.386 285 HA3 GLY 49 HA3 GLY 49 6.874 -25.713 11.282 286 H LEU 50 H LEU 50 3.506 -26.198 10.286 287 HA LEU 50 HA LEU 50 2.588 -24.110 12.178 288 HB2 LEU 50 HB2 LEU 50 2.988 -23.235 9.774 289 HB3 LEU 50 HB3 LEU 50 1.713 -24.332 9.295 290 HG LEU 50 HG LEU 50 0.268 -23.095 11.025 291 HD11 LEU 50 HD11 LEU 50 0.919 -20.790 11.462 292 HD12 LEU 50 HD12 LEU 50 2.469 -21.082 10.679 293 HD13 LEU 50 HD13 LEU 50 2.058 -21.942 12.162 294 HD21 LEU 50 HD21 LEU 50 -0.316 -21.353 9.410 295 HD22 LEU 50 HD22 LEU 50 -0.061 -22.904 8.610 296 HD23 LEU 50 HD23 LEU 50 1.184 -21.656 8.536 297 H ASP 51 H ASP 51 1.206 -25.114 13.424 298 HA ASP 51 HA ASP 51 -0.109 -27.471 12.558 299 HB2 ASP 51 HB2 ASP 51 -1.194 -27.234 14.833 300 HB3 ASP 51 HB3 ASP 51 0.566 -27.334 14.861 301 HA 4HH 52 HA 4HH 52 -3.580 -25.392 11.387 302 H 4HH 52 H 4HH 52 -2.672 -27.219 13.461 303 HB3 4HH 52 HB3 4HH 52 -4.262 -27.755 11.074 304 HB2 4HH 52 HB2 4HH 52 -5.638 -26.717 11.447 305 HJ3 4HH 52 HJ3 4HH 52 -7.922 -27.119 14.354 306 HJ2 4HH 52 HJ2 4HH 52 -8.562 -28.690 13.933 307 HL13 4HH 52 HL13 4HH 52 -11.010 -27.292 11.377 308 HL12 4HH 52 HL12 4HH 52 -9.331 -27.284 10.998 309 HL11 4HH 52 HL11 4HH 52 -9.992 -28.735 11.713 310 HL21 4HH 52 HL21 4HH 52 -8.859 -25.418 12.115 311 HL23 4HH 52 HL23 4HH 52 -10.413 -25.033 12.726 312 HL22 4HH 52 HL22 4HH 52 -9.001 -25.139 13.824 313 HL3 4HH 52 HL3 4HH 52 -10.787 -28.446 14.568 314 HM 4HH 52 HM 4HH 52 -11.321 -26.668 15.845 315 HN 4HH 52 HN 4HH 52 -13.094 -27.819 12.319 316 HO2 4HH 52 HO2 4HH 52 -11.993 -25.247 11.840 317 HO3 4HH 52 HO3 4HH 52 -13.644 -25.100 12.507 318 HP3 4HH 52 HP3 4HH 52 -12.751 -26.474 9.989 319 HP2 4HH 52 HP2 4HH 52 -14.352 -26.710 10.666 320 HS2 4HH 52 HS2 4HH 52 -14.983 -22.609 11.025 321 HS3 4HH 52 HS3 4HH 52 -13.439 -22.774 11.933 322 HT3 4HH 52 HT3 4HH 52 -12.497 -21.053 10.543 323 HT2 4HH 52 HT2 4HH 52 -14.046 -20.480 11.148 324 HR 4HH 52 HR 4HH 52 -12.726 -23.385 9.416 325 HU 4HH 52 HU 4HH 52 -15.404 -21.067 8.728 326 H ILE 53 H ILE 53 -3.181 -25.586 14.539 327 HA ILE 53 HA ILE 53 -5.524 -24.076 15.244 328 HB ILE 53 HB ILE 53 -3.061 -24.829 16.813 329 HG12 ILE 53 HG12 ILE 53 -4.443 -26.740 16.371 330 HG13 ILE 53 HG11 ILE 53 -4.675 -26.299 18.057 331 HG21 ILE 53 HG21 ILE 53 -3.947 -22.704 17.692 332 HG22 ILE 53 HG22 ILE 53 -4.254 -24.008 18.841 333 HG23 ILE 53 HG23 ILE 53 -5.558 -23.412 17.814 334 HD11 ILE 53 HD11 ILE 53 -6.825 -25.208 17.450 335 HD12 ILE 53 HD12 ILE 53 -6.805 -26.918 17.052 336 HD13 ILE 53 HD13 ILE 53 -6.611 -25.732 15.781 337 H ARG 54 H ARG 54 -2.094 -23.615 14.696 338 HA ARG 54 HA ARG 54 -2.095 -20.838 14.888 339 HB2 ARG 54 HB2 ARG 54 -0.416 -22.814 13.505 340 HB3 ARG 54 HB3 ARG 54 -0.187 -21.081 13.264 341 HG2 ARG 54 HG2 ARG 54 0.031 -20.803 15.655 342 HG3 ARG 54 HG3 ARG 54 -0.113 -22.562 15.846 343 HD2 ARG 54 HD2 ARG 54 1.774 -22.925 14.515 344 HD3 ARG 54 HD3 ARG 54 1.727 -21.202 14.076 345 HE ARG 54 HE ARG 54 2.633 -20.601 16.084 346 HH11 ARG 54 HH11 ARG 54 2.156 -24.104 16.145 347 HH12 ARG 54 HH12 ARG 54 3.495 -24.450 17.116 348 HH21 ARG 54 HH21 ARG 54 4.480 -21.007 17.404 349 HH22 ARG 54 HH22 ARG 54 4.904 -22.593 17.891 350 H LEU 55 H LEU 55 -2.754 -23.017 12.191 351 HA LEU 55 HA LEU 55 -3.094 -21.168 10.073 352 HB2 LEU 55 HB2 LEU 55 -3.075 -23.752 10.062 353 HB3 LEU 55 HB3 LEU 55 -4.737 -23.672 10.568 354 HG LEU 55 HG LEU 55 -4.817 -24.215 8.320 355 HD11 LEU 55 HD11 LEU 55 -5.197 -21.286 8.200 356 HD12 LEU 55 HD12 LEU 55 -6.370 -22.488 8.775 357 HD13 LEU 55 HD13 LEU 55 -5.843 -22.507 7.090 358 HD21 LEU 55 HD21 LEU 55 -2.801 -22.108 7.676 359 HD22 LEU 55 HD22 LEU 55 -3.701 -23.131 6.531 360 HD23 LEU 55 HD23 LEU 55 -2.571 -23.876 7.670 361 H MET 56 H MET 56 -5.574 -22.537 12.270 362 HA MET 56 HA MET 56 -7.625 -20.810 11.357 363 HB2 MET 56 HB2 MET 56 -8.151 -22.939 12.383 364 HB3 MET 56 HB3 MET 56 -7.405 -22.452 13.880 365 HG2 MET 56 HG2 MET 56 -9.835 -21.038 12.771 366 HG3 MET 56 HG3 MET 56 -9.974 -22.473 13.791 367 HE1 MET 56 HE1 MET 56 -7.115 -21.127 15.493 368 HE2 MET 56 HE2 MET 56 -8.228 -22.458 15.820 369 HE3 MET 56 HE3 MET 56 -8.090 -21.094 16.982 370 H ARG 57 H ARG 57 -5.360 -20.535 13.973 371 HA ARG 57 HA ARG 57 -6.273 -18.295 15.260 372 HB2 ARG 57 HB2 ARG 57 -4.364 -19.580 15.891 373 HB3 ARG 57 HB3 ARG 57 -3.528 -18.954 14.474 374 HG2 ARG 57 HG2 ARG 57 -3.802 -16.673 15.388 375 HG3 ARG 57 HG3 ARG 57 -4.425 -17.407 16.878 376 HD2 ARG 57 HD2 ARG 57 -2.131 -17.092 17.193 377 HD3 ARG 57 HD3 ARG 57 -2.584 -18.806 16.874 378 HE ARG 57 HE ARG 57 -1.954 -17.809 14.424 379 HH11 ARG 57 HH11 ARG 57 0.042 -18.232 17.366 380 HH12 ARG 57 HH12 ARG 57 1.476 -18.431 16.432 381 HH21 ARG 57 HH21 ARG 57 0.062 -18.086 13.281 382 HH22 ARG 57 HH22 ARG 57 1.493 -18.348 14.158 383 H TRP 58 H TRP 58 -4.312 -18.674 12.318 384 HA TRP 58 HA TRP 58 -3.892 -15.967 11.774 385 HB2 TRP 58 HB2 TRP 58 -3.690 -18.463 10.145 386 HB3 TRP 58 HB3 TRP 58 -3.523 -16.929 9.327 387 HD1 TRP 58 HD1 TRP 58 -1.405 -19.485 10.569 388 HE1 TRP 58 HE1 TRP 58 0.913 -18.599 11.322 389 HE3 TRP 58 HE3 TRP 58 -2.498 -14.499 10.911 390 HZ2 TRP 58 HZ2 TRP 58 2.094 -16.120 11.961 391 HZ3 TRP 58 HZ3 TRP 58 -0.726 -12.945 11.593 392 HH2 TRP 58 HH2 TRP 58 1.515 -13.736 12.104 393 H LEU 59 H LEU 59 -6.551 -18.101 11.049 394 HA LEU 59 HA LEU 59 -7.779 -16.327 9.205 395 HB2 LEU 59 HB2 LEU 59 -8.359 -18.793 9.490 396 HB3 LEU 59 HB3 LEU 59 -9.301 -18.324 10.884 397 HG LEU 59 HG LEU 59 -10.610 -16.797 9.474 398 HD11 LEU 59 HD11 LEU 59 -9.035 -16.359 7.682 399 HD12 LEU 59 HD12 LEU 59 -10.494 -17.096 7.027 400 HD13 LEU 59 HD13 LEU 59 -9.039 -18.065 7.237 401 HD21 LEU 59 HD21 LEU 59 -11.868 -18.530 8.377 402 HD22 LEU 59 HD22 LEU 59 -11.325 -19.042 9.995 403 HD23 LEU 59 HD23 LEU 59 -10.468 -19.595 8.540 404 H HIS 60 H HIS 60 -7.593 -16.402 12.642 405 HA HIS 60 HA HIS 60 -9.731 -14.562 13.099 406 HB2 HIS 60 HB2 HIS 60 -7.363 -15.375 14.811 407 HB3 HIS 60 HB3 HIS 60 -8.468 -14.107 15.321 408 HD1 HIS 60 HD1 HIS 60 -8.014 -17.146 16.573 409 HD2 HIS 60 HD2 HIS 60 -11.099 -15.560 14.397 410 HE1 HIS 60 HE1 HIS 60 -10.033 -18.522 17.200 411 H TRP 61 H TRP 61 -6.521 -14.344 12.035 412 HA TRP 61 HA TRP 61 -6.339 -11.553 12.609 413 HB2 TRP 61 HB2 TRP 61 -4.329 -13.006 12.702 414 HB3 TRP 61 HB3 TRP 61 -4.507 -13.335 10.985 415 HD1 TRP 61 HD1 TRP 61 -3.971 -10.210 13.250 416 HE1 TRP 61 HE1 TRP 61 -2.344 -8.621 11.980 417 HE3 TRP 61 HE3 TRP 61 -3.382 -12.866 8.932 418 HZ2 TRP 61 HZ2 TRP 61 -1.025 -8.524 9.540 419 HZ3 TRP 61 HZ3 TRP 61 -1.911 -11.952 7.191 420 HH2 TRP 61 HH2 TRP 61 -0.764 -9.833 7.497 421 H PHE 62 H PHE 62 -6.463 -13.585 9.701 422 HA PHE 62 HA PHE 62 -6.672 -11.629 7.757 423 HB2 PHE 62 HB2 PHE 62 -7.880 -14.381 7.785 424 HB3 PHE 62 HB3 PHE 62 -7.827 -13.365 6.358 425 HD1 PHE 62 HD2 PHE 62 -5.283 -12.264 6.219 426 HD2 PHE 62 HD1 PHE 62 -6.400 -16.086 7.678 427 HE1 PHE 62 HE2 PHE 62 -3.012 -13.138 5.715 428 HE2 PHE 62 HE1 PHE 62 -4.169 -16.956 7.187 429 HZ PHE 62 HZ PHE 62 -2.476 -15.503 6.213 430 H ARG 63 H ARG 63 -9.429 -13.373 9.163 431 HA ARG 63 HA ARG 63 -11.497 -12.105 7.798 432 HB2 ARG 63 HB2 ARG 63 -11.388 -13.330 10.483 433 HB3 ARG 63 HB3 ARG 63 -12.869 -12.722 9.745 434 HG2 ARG 63 HG2 ARG 63 -12.478 -14.180 7.822 435 HG3 ARG 63 HG3 ARG 63 -11.056 -14.836 8.645 436 HD2 ARG 63 HD2 ARG 63 -13.664 -14.626 9.841 437 HD3 ARG 63 HD3 ARG 63 -13.247 -16.087 8.885 438 HE ARG 63 HE ARG 63 -11.296 -15.563 10.836 439 HH11 ARG 63 HH11 ARG 63 -14.663 -16.629 10.740 440 HH12 ARG 63 HH12 ARG 63 -14.598 -17.571 12.158 441 HH21 ARG 63 HH21 ARG 63 -11.160 -16.919 12.797 442 HH22 ARG 63 HH22 ARG 63 -12.511 -17.720 13.384 443 H LYS 64 H LYS 64 -9.798 -11.184 10.615 444 HA LYS 64 HA LYS 64 -11.604 -9.166 11.562 445 HB2 LYS 64 HB2 LYS 64 -10.004 -10.687 12.829 446 HB3 LYS 64 HB3 LYS 64 -8.749 -9.677 12.197 447 HG2 LYS 64 HG2 LYS 64 -9.676 -7.750 13.371 448 HG3 LYS 64 HG3 LYS 64 -10.923 -8.798 14.063 449 HD2 LYS 64 HD2 LYS 64 -9.285 -8.806 15.726 450 HD3 LYS 64 HD3 LYS 64 -8.981 -10.281 14.815 451 HE2 LYS 64 HE2 LYS 64 -7.452 -7.661 14.549 452 HE3 LYS 64 HE3 LYS 64 -6.858 -9.129 15.304 453 HZ1 LYS 64 HZ1 LYS 64 -7.150 -10.174 13.019 454 HZ2 LYS 64 HZ2 LYS 64 -5.892 -9.062 13.165 455 HZ3 LYS 64 HZ3 LYS 64 -7.283 -8.614 12.385 456 H ASN 65 H ASN 65 -8.983 -9.375 9.317 457 HA ASN 65 HA ASN 65 -8.536 -6.490 9.308 458 HB2 ASN 65 HB2 ASN 65 -7.035 -8.790 8.023 459 HB3 ASN 65 HB3 ASN 65 -6.712 -7.115 7.607 460 HD21 ASN 65 HD21 ASN 65 -4.565 -7.282 8.304 461 HD22 ASN 65 HD22 ASN 65 -4.148 -7.346 9.955 462 H GLY 66 H GLY 66 -10.696 -8.496 8.094 463 HA2 GLY 66 HA2 GLY 66 -12.334 -7.796 6.548 464 HA3 GLY 66 HA3 GLY 66 -11.133 -6.769 5.782 465 H TYR 67 H TYR 67 -9.845 -9.825 6.319 466 HA TYR 67 HA TYR 67 -10.202 -10.402 3.515 467 HB2 TYR 67 HB2 TYR 67 -8.371 -11.628 5.571 468 HB3 TYR 67 HB3 TYR 67 -8.504 -12.253 3.919 469 HD1 TYR 67 HD2 TYR 67 -7.412 -9.509 6.010 470 HD2 TYR 67 HD1 TYR 67 -7.634 -11.008 2.063 471 HE1 TYR 67 HE2 TYR 67 -5.926 -7.698 5.257 472 HE2 TYR 67 HE1 TYR 67 -6.138 -9.268 1.266 473 HH TYR 67 HH TYR 67 -4.541 -7.060 3.526 474 H ARG 68 H ARG 68 -11.835 -11.371 2.900 475 HA ARG 68 HA ARG 68 -13.338 -13.135 4.603 476 HB2 ARG 68 HB2 ARG 68 -13.721 -12.352 1.710 477 HB3 ARG 68 HB3 ARG 68 -14.880 -13.286 2.620 478 HG2 ARG 68 HG2 ARG 68 -15.858 -11.416 3.264 479 HG3 ARG 68 HG3 ARG 68 -14.374 -10.911 4.071 480 HD2 ARG 68 HD2 ARG 68 -14.849 -10.576 1.142 481 HD3 ARG 68 HD3 ARG 68 -15.286 -9.320 2.305 482 HE ARG 68 HE ARG 68 -12.839 -9.367 2.930 483 HH11 ARG 68 HH11 ARG 68 -13.861 -10.151 -0.385 484 HH12 ARG 68 HH12 ARG 68 -12.419 -9.650 -1.111 485 HH21 ARG 68 HH21 ARG 68 -10.869 -8.655 1.952 486 HH22 ARG 68 HH22 ARG 68 -10.612 -8.758 0.281 487 H LEU 69 H LEU 69 -11.761 -14.723 4.895 488 HA LEU 69 HA LEU 69 -11.268 -16.454 2.568 489 HB2 LEU 69 HB2 LEU 69 -9.567 -16.141 5.051 490 HB3 LEU 69 HB3 LEU 69 -9.211 -17.151 3.669 491 HG LEU 69 HG LEU 69 -9.257 -14.134 3.677 492 HD11 LEU 69 HD11 LEU 69 -7.355 -15.062 4.901 493 HD12 LEU 69 HD12 LEU 69 -6.852 -14.295 3.398 494 HD13 LEU 69 HD13 LEU 69 -6.938 -16.054 3.499 495 HD21 LEU 69 HD21 LEU 69 -8.496 -16.083 1.524 496 HD22 LEU 69 HD22 LEU 69 -8.276 -14.331 1.452 497 HD23 LEU 69 HD23 LEU 69 -9.900 -15.014 1.522 498 H THR 70 H THR 70 -11.812 -18.588 2.857 499 HA THR 70 HA THR 70 -13.144 -19.232 5.351 500 HB THR 70 HB THR 70 -12.741 -21.116 3.071 501 HG1 THR 70 HG1 THR 70 -13.525 -19.298 2.036 502 HG21 THR 70 HG21 THR 70 -15.040 -20.643 4.974 503 HG22 THR 70 HG22 THR 70 -13.841 -21.930 5.089 504 HG23 THR 70 HG23 THR 70 -14.980 -21.904 3.743 505 H LEU 71 H LEU 71 -12.332 -20.805 6.675 506 HA LEU 71 HA LEU 71 -9.532 -21.110 6.891 507 HB2 LEU 71 HB2 LEU 71 -11.306 -21.365 8.711 508 HB3 LEU 71 HB3 LEU 71 -11.594 -22.949 8.050 509 HG LEU 71 HG LEU 71 -9.270 -23.583 8.557 510 HD11 LEU 71 HD11 LEU 71 -9.188 -20.920 9.937 511 HD12 LEU 71 HD12 LEU 71 -8.229 -21.389 8.521 512 HD13 LEU 71 HD13 LEU 71 -8.000 -22.204 10.076 513 HD21 LEU 71 HD21 LEU 71 -9.560 -23.739 10.954 514 HD22 LEU 71 HD22 LEU 71 -11.055 -24.108 10.096 515 HD23 LEU 71 HD23 LEU 71 -10.852 -22.543 10.886 516 H ARG 72 H ARG 72 -11.980 -22.940 5.383 517 HA ARG 72 HA ARG 72 -10.618 -25.412 5.117 518 HB2 ARG 72 HB2 ARG 72 -12.968 -24.357 3.580 519 HB3 ARG 72 HB3 ARG 72 -12.476 -26.047 3.672 520 HG2 ARG 72 HG2 ARG 72 -12.910 -26.063 6.072 521 HG3 ARG 72 HG3 ARG 72 -13.358 -24.362 6.013 522 HD2 ARG 72 HD2 ARG 72 -15.213 -24.977 4.467 523 HD3 ARG 72 HD3 ARG 72 -14.796 -26.675 4.720 524 HE ARG 72 HE ARG 72 -15.151 -25.381 7.209 525 HH11 ARG 72 HH11 ARG 72 -17.091 -26.648 4.538 526 HH12 ARG 72 HH12 ARG 72 -18.486 -26.888 5.483 527 HH21 ARG 72 HH21 ARG 72 -16.963 -25.673 8.476 528 HH22 ARG 72 HH22 ARG 72 -18.425 -26.304 7.856 529 H GLU 73 H GLU 73 -10.567 -22.453 3.293 530 HA GLU 73 HA GLU 73 -9.603 -23.583 0.847 531 HB2 GLU 73 HB2 GLU 73 -9.476 -20.763 1.934 532 HB3 GLU 73 HB3 GLU 73 -9.048 -21.226 0.294 533 HG2 GLU 73 HG2 GLU 73 -11.300 -21.907 -0.141 534 HG3 GLU 73 HG3 GLU 73 -11.776 -21.560 1.519 535 H LEU 74 H LEU 74 -8.134 -21.702 3.496 536 HA LEU 74 HA LEU 74 -5.558 -21.917 2.704 537 HB2 LEU 74 HB2 LEU 74 -6.817 -21.512 5.385 538 HB3 LEU 74 HB3 LEU 74 -5.076 -21.597 5.220 539 HG LEU 74 HG LEU 74 -5.229 -19.705 3.614 540 HD11 LEU 74 HD11 LEU 74 -8.025 -19.547 4.558 541 HD12 LEU 74 HD12 LEU 74 -7.405 -19.840 2.905 542 HD13 LEU 74 HD13 LEU 74 -7.139 -18.272 3.690 543 HD21 LEU 74 HD21 LEU 74 -4.522 -19.343 5.875 544 HD22 LEU 74 HD22 LEU 74 -6.201 -19.186 6.410 545 HD23 LEU 74 HD23 LEU 74 -5.497 -17.986 5.317 546 H TYR 75 H TYR 75 -7.530 -24.198 4.514 547 HA TYR 75 HA TYR 75 -5.357 -25.883 5.255 548 HB2 TYR 75 HB2 TYR 75 -8.319 -26.168 5.391 549 HB3 TYR 75 HB3 TYR 75 -7.345 -27.657 5.529 550 HD1 TYR 75 HD1 TYR 75 -5.174 -26.498 7.090 551 HD2 TYR 75 HD2 TYR 75 -9.353 -26.021 7.197 552 HE1 TYR 75 HE1 TYR 75 -5.050 -26.027 9.487 553 HE2 TYR 75 HE2 TYR 75 -9.258 -25.536 9.582 554 HH TYR 75 HH TYR 75 -7.550 -26.179 11.448 555 H ALA 76 H ALA 76 -7.430 -25.717 2.468 556 HA ALA 76 HA ALA 76 -6.629 -28.253 1.539 557 HB1 ALA 76 HB1 ALA 76 -8.790 -27.317 0.886 558 HB2 ALA 76 HB2 ALA 76 -7.816 -27.671 -0.542 559 HB3 ALA 76 HB3 ALA 76 -7.975 -26.009 0.027 560 H ALA 77 H ALA 77 -5.668 -24.938 0.950 561 HA ALA 77 HA ALA 77 -3.270 -25.968 -0.373 562 HB1 ALA 77 HB1 ALA 77 -4.729 -23.444 -1.181 563 HB2 ALA 77 HB2 ALA 77 -4.726 -24.958 -2.090 564 HB3 ALA 77 HB3 ALA 77 -3.224 -24.053 -1.870 565 HA PRO 78 HA PRO 78 -2.033 -23.167 2.978 566 HB2 PRO 78 HB2 PRO 78 -0.331 -25.044 4.183 567 HB3 PRO 78 HB3 PRO 78 -1.984 -24.672 4.707 568 HG2 PRO 78 HG2 PRO 78 -1.095 -27.110 3.622 569 HG3 PRO 78 HG3 PRO 78 -2.769 -26.624 3.941 570 HD2 PRO 78 HD2 PRO 78 -1.287 -26.640 1.378 571 HD3 PRO 78 HD3 PRO 78 -3.028 -26.807 1.690 572 H THR 79 H THR 79 -0.965 -22.105 1.270 573 HA THR 79 HA THR 79 1.910 -22.421 1.270 574 HB THR 79 HB THR 79 1.864 -22.091 -1.270 575 HG1 THR 79 HG1 THR 79 -0.814 -22.898 -0.844 576 HG21 THR 79 HG21 THR 79 2.521 -24.276 -0.319 577 HG22 THR 79 HG22 THR 79 1.616 -24.478 -1.823 578 HG23 THR 79 HG23 THR 79 0.819 -24.749 -0.274 579 H LEU 80 H LEU 80 2.811 -20.365 1.041 580 HA LEU 80 HA LEU 80 1.016 -18.234 1.359 581 HB2 LEU 80 HB2 LEU 80 3.956 -18.494 1.237 582 HB3 LEU 80 HB3 LEU 80 3.317 -16.923 0.792 583 HG LEU 80 HG LEU 80 2.650 -18.243 3.468 584 HD11 LEU 80 HD11 LEU 80 5.066 -17.756 3.345 585 HD12 LEU 80 HD12 LEU 80 4.190 -16.622 4.401 586 HD13 LEU 80 HD13 LEU 80 4.670 -16.127 2.789 587 HD21 LEU 80 HD21 LEU 80 2.046 -16.060 4.052 588 HD22 LEU 80 HD22 LEU 80 1.085 -16.593 2.660 589 HD23 LEU 80 HD23 LEU 80 2.445 -15.467 2.452 590 H ALA 81 H ALA 81 2.622 -19.567 -1.410 591 HA ALA 81 HA ALA 81 2.318 -17.644 -3.349 592 HB1 ALA 81 HB1 ALA 81 1.777 -20.588 -3.714 593 HB2 ALA 81 HB2 ALA 81 3.379 -19.869 -3.680 594 HB3 ALA 81 HB3 ALA 81 2.249 -19.446 -4.972 595 H ALA 82 H ALA 82 -0.125 -20.069 -2.402 596 HA ALA 82 HA ALA 82 -2.037 -18.889 -4.174 597 HB1 ALA 82 HB1 ALA 82 -3.616 -20.441 -3.371 598 HB2 ALA 82 HB2 ALA 82 -2.549 -20.951 -2.046 599 HB3 ALA 82 HB3 ALA 82 -2.112 -21.294 -3.734 600 H TRP 83 H TRP 83 -1.347 -18.670 -0.700 601 HA TRP 83 HA TRP 83 -3.764 -17.457 -0.008 602 HB2 TRP 83 HB2 TRP 83 -1.037 -17.298 1.234 603 HB3 TRP 83 HB3 TRP 83 -2.462 -16.547 1.933 604 HD1 TRP 83 HD1 TRP 83 -3.464 -19.832 0.507 605 HE1 TRP 83 HE1 TRP 83 -3.573 -21.591 2.326 606 HE3 TRP 83 HE3 TRP 83 -1.187 -17.221 4.077 607 HZ2 TRP 83 HZ2 TRP 83 -2.831 -21.817 5.053 608 HZ3 TRP 83 HZ3 TRP 83 -0.929 -18.235 6.386 609 HH2 TRP 83 HH2 TRP 83 -1.784 -20.517 6.814 610 H ASN 84 H ASN 84 -0.728 -16.188 -1.044 611 HA ASN 84 HA ASN 84 -1.008 -13.447 -1.047 612 HB2 ASN 84 HB2 ASN 84 0.862 -14.881 -2.100 613 HB3 ASN 84 HB3 ASN 84 -0.138 -14.933 -3.536 614 HD21 ASN 84 HD21 ASN 84 2.518 -13.857 -3.078 615 HD22 ASN 84 HD22 ASN 84 2.458 -12.200 -3.567 616 H GLN 85 H GLN 85 -2.229 -15.618 -3.537 617 HA GLN 85 HA GLN 85 -3.649 -13.678 -5.012 618 HB2 GLN 85 HB2 GLN 85 -3.937 -16.702 -4.904 619 HB3 GLN 85 HB3 GLN 85 -4.711 -15.684 -6.114 620 HG2 GLN 85 HG2 GLN 85 -1.733 -15.753 -5.720 621 HG3 GLN 85 HG3 GLN 85 -2.565 -16.915 -6.737 622 HE21 GLN 85 HE21 GLN 85 -3.616 -13.479 -6.651 623 HE22 GLN 85 HE22 GLN 85 -3.019 -13.152 -8.205 624 H LEU 86 H LEU 86 -4.558 -15.923 -2.427 625 HA LEU 86 HA LEU 86 -7.359 -15.529 -2.430 626 HB2 LEU 86 HB2 LEU 86 -5.613 -16.190 -0.061 627 HB3 LEU 86 HB3 LEU 86 -7.341 -16.392 -0.159 628 HG LEU 86 HG LEU 86 -5.261 -17.984 -1.670 629 HD11 LEU 86 HD11 LEU 86 -5.465 -18.508 0.704 630 HD12 LEU 86 HD12 LEU 86 -6.062 -19.825 -0.323 631 HD13 LEU 86 HD13 LEU 86 -7.203 -18.728 0.469 632 HD21 LEU 86 HD21 LEU 86 -8.257 -18.234 -1.678 633 HD22 LEU 86 HD22 LEU 86 -7.120 -19.396 -2.338 634 HD23 LEU 86 HD23 LEU 86 -7.244 -17.779 -3.068 635 H MET 87 H MET 87 -4.752 -13.573 -1.288 636 HA MET 87 HA MET 87 -6.219 -12.151 0.778 637 HB2 MET 87 HB2 MET 87 -3.458 -11.889 -0.406 638 HB3 MET 87 HB3 MET 87 -4.029 -10.800 0.829 639 HG2 MET 87 HG2 MET 87 -3.843 -13.786 1.156 640 HG3 MET 87 HG3 MET 87 -2.550 -12.673 1.585 641 HE1 MET 87 HE1 MET 87 -2.514 -11.146 3.598 642 HE2 MET 87 HE2 MET 87 -3.922 -10.744 4.578 643 HE3 MET 87 HE3 MET 87 -3.847 -10.234 2.891 644 H LEU 88 H LEU 88 -4.555 -11.508 -2.173 645 HA LEU 88 HA LEU 88 -5.391 -8.805 -2.231 646 HB2 LEU 88 HB2 LEU 88 -3.205 -9.027 -2.621 647 HB3 LEU 88 HB3 LEU 88 -3.385 -10.570 -3.427 648 HG LEU 88 HG LEU 88 -4.406 -9.456 -5.178 649 HD11 LEU 88 HD11 LEU 88 -3.812 -6.954 -5.522 650 HD12 LEU 88 HD12 LEU 88 -3.242 -6.947 -3.852 651 HD13 LEU 88 HD13 LEU 88 -4.947 -7.241 -4.200 652 HD21 LEU 88 HD21 LEU 88 -2.267 -10.277 -5.415 653 HD22 LEU 88 HD22 LEU 88 -1.569 -8.865 -4.563 654 HD23 LEU 88 HD23 LEU 88 -2.268 -8.663 -6.170 655 H SER 89 H SER 89 -5.603 -11.529 -4.592 656 HA SER 89 HA SER 89 -7.099 -9.919 -6.378 657 HB2 SER 89 HB2 SER 89 -6.671 -12.901 -6.407 658 HB3 SER 89 HB3 SER 89 -7.029 -11.855 -7.788 659 HG SER 89 HG SER 89 -5.014 -10.727 -7.243 660 H ARG 90 H ARG 90 -8.071 -11.045 -3.607 661 HA ARG 90 HA ARG 90 -10.803 -11.769 -4.394 662 HB2 ARG 90 HB2 ARG 90 -9.634 -13.303 -2.931 663 HB3 ARG 90 HB3 ARG 90 -9.253 -12.001 -1.828 664 HG2 ARG 90 HG2 ARG 90 -11.560 -11.769 -1.237 665 HG3 ARG 90 HG3 ARG 90 -12.018 -13.000 -2.426 666 HD2 ARG 90 HD2 ARG 90 -10.164 -13.395 -0.112 667 HD3 ARG 90 HD3 ARG 90 -11.856 -13.925 -0.128 668 HE ARG 90 HE ARG 90 -10.042 -14.844 -2.219 669 HH11 ARG 90 HH11 ARG 90 -11.903 -15.760 0.701 670 HH12 ARG 90 HH12 ARG 90 -11.772 -17.434 0.359 671 HH21 ARG 90 HH21 ARG 90 -9.962 -17.183 -2.621 672 HH22 ARG 90 HH22 ARG 90 -10.732 -18.195 -1.480 673 H SER 91 H SER 91 -8.862 -9.239 -3.576 674 HA SER 91 HA SER 91 -11.015 -7.669 -2.430 675 HB2 SER 91 HB2 SER 91 -7.992 -7.463 -2.069 676 HB3 SER 91 HB3 SER 91 -9.204 -6.478 -1.243 677 HG SER 91 HG SER 91 -8.283 -8.962 -0.669 678 HA PRO 92 HA PRO 92 -10.386 -4.904 -5.970 679 HB2 PRO 92 HB2 PRO 92 -8.578 -2.957 -4.625 680 HB3 PRO 92 HB3 PRO 92 -10.108 -2.661 -5.479 681 HG2 PRO 92 HG2 PRO 92 -10.040 -2.520 -2.861 682 HG3 PRO 92 HG3 PRO 92 -11.413 -3.283 -3.690 683 HD2 PRO 92 HD2 PRO 92 -9.132 -4.575 -2.269 684 HD3 PRO 92 HD3 PRO 92 -10.854 -5.016 -2.277 685 H GLU 93 H GLU 93 -9.199 -5.709 -7.625 686 HA GLU 93 HA GLU 93 -6.325 -5.585 -7.535 687 HB2 GLU 93 HB2 GLU 93 -7.250 -7.918 -7.359 688 HB3 GLU 93 HB3 GLU 93 -8.164 -7.635 -8.827 689 HG2 GLU 93 HG2 GLU 93 -6.355 -8.854 -9.569 690 HG3 GLU 93 HG3 GLU 93 -5.911 -7.180 -9.905 Start of MODEL 12 1 H ASP 14 HT1 ASP 14 -1.024 -7.371 -7.921 2 HA ASP 14 HA ASP 14 1.183 -5.501 -7.707 3 HB2 ASP 14 HB2 ASP 14 -0.737 -3.932 -7.369 4 HB3 ASP 14 HB3 ASP 14 -0.750 -4.666 -8.971 5 H ASN 15 H ASN 15 1.306 -4.546 -5.581 6 HA ASN 15 HA ASN 15 0.525 -6.487 -3.570 7 HB2 ASN 15 HB2 ASN 15 2.478 -4.165 -3.388 8 HB3 ASN 15 HB3 ASN 15 2.087 -5.238 -2.052 9 HD21 ASN 15 HD21 ASN 15 4.212 -5.936 -1.854 10 HD22 ASN 15 HD22 ASN 15 4.943 -6.987 -3.011 11 H ARG 16 H ARG 16 -1.589 -5.847 -3.871 12 HA ARG 16 HA ARG 16 -2.377 -3.219 -2.918 13 HB2 ARG 16 HB2 ARG 16 -3.267 -4.356 -4.972 14 HB3 ARG 16 HB3 ARG 16 -4.061 -5.510 -3.936 15 HG2 ARG 16 HG2 ARG 16 -5.521 -3.839 -3.086 16 HG3 ARG 16 HG3 ARG 16 -4.600 -2.556 -3.891 17 HD2 ARG 16 HD2 ARG 16 -6.426 -2.960 -5.371 18 HD3 ARG 16 HD3 ARG 16 -5.025 -3.814 -6.027 19 HE ARG 16 HE ARG 16 -7.085 -5.218 -4.500 20 HH11 ARG 16 HH11 ARG 16 -4.740 -5.137 -7.171 21 HH12 ARG 16 HH12 ARG 16 -5.452 -6.344 -8.081 22 HH21 ARG 16 HH21 ARG 16 -8.128 -7.028 -5.783 23 HH22 ARG 16 HH22 ARG 16 -7.450 -7.450 -7.252 24 H HIS 17 H HIS 17 -4.155 -6.193 -2.339 25 HA HIS 17 HA HIS 17 -4.433 -5.649 0.495 26 HB2 HIS 17 HB2 HIS 17 -5.107 -8.196 -1.030 27 HB3 HIS 17 HB3 HIS 17 -5.715 -7.696 0.542 28 HD1 HIS 17 HD1 HIS 17 -7.769 -6.184 0.572 29 HD2 HIS 17 HD2 HIS 17 -6.218 -6.795 -3.222 30 HE1 HIS 17 HE1 HIS 17 -9.439 -5.188 -1.037 31 H ALA 18 H ALA 18 -2.531 -7.359 -1.601 32 HA ALA 18 HA ALA 18 -1.361 -9.192 0.108 33 HB1 ALA 18 HB1 ALA 18 0.174 -9.602 -1.725 34 HB2 ALA 18 HB2 ALA 18 -0.499 -8.168 -2.569 35 HB3 ALA 18 HB3 ALA 18 -1.542 -9.540 -2.117 36 H ALA 19 H ALA 19 -0.833 -5.821 -0.080 37 HA ALA 19 HA ALA 19 1.851 -5.799 0.869 38 HB1 ALA 19 HB1 ALA 19 1.355 -3.616 1.754 39 HB2 ALA 19 HB2 ALA 19 -0.373 -3.869 1.501 40 HB3 ALA 19 HB3 ALA 19 0.721 -3.739 0.106 41 H ASP 20 H ASP 20 -1.178 -6.631 2.365 42 HA ASP 20 HA ASP 20 -0.091 -6.481 5.028 43 HB2 ASP 20 HB2 ASP 20 -2.519 -6.088 4.531 44 HB3 ASP 20 HB3 ASP 20 -2.661 -7.784 4.094 45 H TYR 21 H TYR 21 -0.224 -8.664 2.481 46 HA TYR 21 HA TYR 21 0.229 -11.179 3.687 47 HB2 TYR 21 HB2 TYR 21 -0.255 -11.171 1.375 48 HB3 TYR 21 HB3 TYR 21 0.977 -9.979 1.034 49 HD1 TYR 21 HD1 TYR 21 3.412 -10.702 0.818 50 HD2 TYR 21 HD2 TYR 21 0.234 -13.485 1.453 51 HE1 TYR 21 HE1 TYR 21 4.840 -12.501 0.043 52 HE2 TYR 21 HE2 TYR 21 1.700 -15.278 0.693 53 HH TYR 21 HH TYR 21 5.066 -14.913 0.184 54 H GLN 22 H GLN 22 2.266 -8.453 3.105 55 HA GLN 22 HA GLN 22 4.836 -9.499 3.328 56 HB2 GLN 22 HB2 GLN 22 4.271 -7.148 2.770 57 HB3 GLN 22 HB3 GLN 22 3.794 -6.894 4.441 58 HG2 GLN 22 HG2 GLN 22 5.940 -6.007 4.291 59 HG3 GLN 22 HG3 GLN 22 6.107 -7.595 5.061 60 HE21 GLN 22 HE21 GLN 22 7.258 -9.277 3.929 61 HE22 GLN 22 HE22 GLN 22 8.088 -8.908 2.486 62 H GLN 23 H GLN 23 2.674 -8.217 5.789 63 HA GLN 23 HA GLN 23 4.279 -8.737 7.997 64 HB2 GLN 23 HB2 GLN 23 1.254 -8.629 7.859 65 HB3 GLN 23 HB3 GLN 23 2.112 -8.806 9.371 66 HG2 GLN 23 HG2 GLN 23 1.395 -6.528 9.076 67 HG3 GLN 23 HG3 GLN 23 3.149 -6.606 9.014 68 HE21 GLN 23 HE21 GLN 23 0.213 -6.163 7.115 69 HE22 GLN 23 HE22 GLN 23 1.039 -5.399 5.805 70 H LEU 24 H LEU 24 1.803 -10.729 6.495 71 HA LEU 24 HA LEU 24 1.828 -13.012 8.209 72 HB2 LEU 24 HB2 LEU 24 0.106 -12.711 6.525 73 HB3 LEU 24 HB3 LEU 24 1.311 -12.803 5.253 74 HG LEU 24 HG LEU 24 1.830 -15.124 6.060 75 HD11 LEU 24 HD11 LEU 24 0.897 -15.014 8.252 76 HD12 LEU 24 HD12 LEU 24 0.143 -16.298 7.311 77 HD13 LEU 24 HD13 LEU 24 -0.718 -14.781 7.581 78 HD21 LEU 24 HD21 LEU 24 0.145 -16.148 4.897 79 HD22 LEU 24 HD22 LEU 24 0.446 -14.609 4.075 80 HD23 LEU 24 HD23 LEU 24 -0.989 -14.808 5.117 81 H ARG 25 H ARG 25 3.614 -12.428 5.276 82 HA ARG 25 HA ARG 25 4.898 -14.884 5.095 83 HB2 ARG 25 HB2 ARG 25 4.756 -12.707 3.572 84 HB3 ARG 25 HB3 ARG 25 6.321 -12.405 4.304 85 HG2 ARG 25 HG2 ARG 25 6.931 -14.756 3.552 86 HG3 ARG 25 HG3 ARG 25 5.472 -14.658 2.554 87 HD2 ARG 25 HD2 ARG 25 7.198 -13.951 1.156 88 HD3 ARG 25 HD3 ARG 25 6.393 -12.474 1.700 89 HE ARG 25 HE ARG 25 8.173 -12.157 3.297 90 HH11 ARG 25 HH11 ARG 25 8.814 -14.540 0.677 91 HH12 ARG 25 HH12 ARG 25 10.478 -14.517 0.860 92 HH21 ARG 25 HH21 ARG 25 10.405 -12.163 3.594 93 HH22 ARG 25 HH22 ARG 25 11.478 -13.065 2.588 94 H GLU 26 H GLU 26 6.135 -11.809 6.293 95 HA GLU 26 HA GLU 26 8.531 -12.673 7.260 96 HB2 GLU 26 HB2 GLU 26 6.868 -10.280 7.523 97 HB3 GLU 26 HB3 GLU 26 8.126 -10.500 8.727 98 HG2 GLU 26 HG2 GLU 26 8.681 -9.210 6.590 99 HG3 GLU 26 HG3 GLU 26 9.850 -10.376 7.188 100 H ARG 27 H ARG 27 5.402 -12.434 9.037 101 HA ARG 27 HA ARG 27 6.673 -13.107 11.495 102 HB2 ARG 27 HB2 ARG 27 4.588 -11.828 11.438 103 HB3 ARG 27 HB3 ARG 27 3.752 -13.288 10.889 104 HG2 ARG 27 HG2 ARG 27 4.402 -14.479 12.818 105 HG3 ARG 27 HG3 ARG 27 5.411 -13.156 13.373 106 HD2 ARG 27 HD2 ARG 27 3.525 -11.801 13.682 107 HD3 ARG 27 HD3 ARG 27 2.475 -13.054 12.986 108 HE ARG 27 HE ARG 27 3.481 -12.920 15.669 109 HH11 ARG 27 HH11 ARG 27 2.306 -15.225 13.185 110 HH12 ARG 27 HH12 ARG 27 2.233 -16.517 14.314 111 HH21 ARG 27 HH21 ARG 27 3.246 -14.887 17.158 112 HH22 ARG 27 HH22 ARG 27 2.714 -16.332 16.384 113 H LEU 28 H LEU 28 5.228 -14.975 8.926 114 HA LEU 28 HA LEU 28 5.016 -17.416 10.354 115 HB2 LEU 28 HB2 LEU 28 5.428 -16.844 7.421 116 HB3 LEU 28 HB3 LEU 28 5.271 -18.470 8.045 117 HG LEU 28 HG LEU 28 3.127 -16.370 8.366 118 HD11 LEU 28 HD11 LEU 28 3.444 -18.535 6.303 119 HD12 LEU 28 HD12 LEU 28 3.483 -16.785 6.033 120 HD13 LEU 28 HD13 LEU 28 1.994 -17.564 6.560 121 HD21 LEU 28 HD21 LEU 28 3.130 -19.362 8.645 122 HD22 LEU 28 HD22 LEU 28 1.728 -18.298 8.731 123 HD23 LEU 28 HD23 LEU 28 2.991 -18.183 9.964 124 H ILE 29 H ILE 29 7.551 -15.918 8.492 125 HA ILE 29 HA ILE 29 9.538 -17.818 8.585 126 HB ILE 29 HB ILE 29 9.557 -14.819 8.688 127 HG12 ILE 29 HG12 ILE 29 10.385 -16.771 6.530 128 HG13 ILE 29 HG11 ILE 29 8.852 -15.914 6.609 129 HG21 ILE 29 HG21 ILE 29 12.029 -16.524 8.609 130 HG22 ILE 29 HG22 ILE 29 11.491 -15.423 9.890 131 HG23 ILE 29 HG23 ILE 29 11.963 -14.773 8.314 132 HD11 ILE 29 HD11 ILE 29 11.571 -14.670 6.268 133 HD12 ILE 29 HD12 ILE 29 10.045 -13.791 6.348 134 HD13 ILE 29 HD13 ILE 29 10.357 -14.893 5.008 135 H GLN 30 H GLN 30 8.756 -15.365 10.960 136 HA GLN 30 HA GLN 30 10.760 -16.060 12.831 137 HB2 GLN 30 HB2 GLN 30 8.172 -14.610 13.258 138 HB3 GLN 30 HB3 GLN 30 9.560 -14.606 14.351 139 HG2 GLN 30 HG2 GLN 30 10.868 -13.440 12.663 140 HG3 GLN 30 HG3 GLN 30 9.491 -13.487 11.559 141 HE21 GLN 30 HE21 GLN 30 10.803 -12.058 14.421 142 HE22 GLN 30 HE22 GLN 30 9.645 -10.773 14.529 143 H GLU 31 H GLU 31 7.287 -16.843 12.625 144 HA GLU 31 HA GLU 31 7.186 -18.124 15.169 145 HB2 GLU 31 HB2 GLU 31 5.211 -17.090 13.914 146 HB3 GLU 31 HB3 GLU 31 5.238 -18.520 12.914 147 HG2 GLU 31 HG2 GLU 31 4.884 -19.946 14.861 148 HG3 GLU 31 HG3 GLU 31 4.822 -18.519 15.891 149 H LEU 32 H LEU 32 7.663 -19.308 11.889 150 HA LEU 32 HA LEU 32 7.576 -22.059 12.706 151 HB2 LEU 32 HB2 LEU 32 8.195 -20.665 10.127 152 HB3 LEU 32 HB3 LEU 32 8.548 -22.362 10.322 153 HG LEU 32 HG LEU 32 6.152 -22.815 10.689 154 HD11 LEU 32 HD11 LEU 32 4.456 -21.130 10.161 155 HD12 LEU 32 HD12 LEU 32 5.717 -19.901 10.091 156 HD13 LEU 32 HD13 LEU 32 5.373 -20.726 11.614 157 HD21 LEU 32 HD21 LEU 32 7.038 -23.061 8.512 158 HD22 LEU 32 HD22 LEU 32 6.897 -21.343 8.205 159 HD23 LEU 32 HD23 LEU 32 5.430 -22.330 8.358 160 H ASN 33 H ASN 33 9.805 -19.645 13.051 161 HA ASN 33 HA ASN 33 12.010 -19.483 13.558 162 HB2 ASN 33 HB2 ASN 33 11.298 -21.390 15.153 163 HB3 ASN 33 HB3 ASN 33 11.973 -22.502 13.976 164 HD21 ASN 33 HD21 ASN 33 14.221 -22.571 13.736 165 HD22 ASN 33 HD22 ASN 33 15.304 -21.917 14.929 166 H LEU 34 H LEU 34 11.240 -19.740 10.924 167 HA LEU 34 HA LEU 34 13.371 -21.327 9.704 168 HB2 LEU 34 HB2 LEU 34 10.576 -20.936 8.935 169 HB3 LEU 34 HB3 LEU 34 11.700 -20.537 7.646 170 HG LEU 34 HG LEU 34 12.650 -22.743 7.697 171 HD11 LEU 34 HD11 LEU 34 10.777 -23.308 9.982 172 HD12 LEU 34 HD12 LEU 34 12.542 -23.197 10.041 173 HD13 LEU 34 HD13 LEU 34 11.773 -24.501 9.136 174 HD21 LEU 34 HD21 LEU 34 10.678 -22.413 6.332 175 HD22 LEU 34 HD22 LEU 34 9.639 -22.827 7.697 176 HD23 LEU 34 HD23 LEU 34 10.705 -24.047 6.996 177 H THR 35 H THR 35 14.014 -20.345 7.511 178 HA THR 35 HA THR 35 14.682 -17.583 8.135 179 HB THR 35 HB THR 35 16.776 -17.975 6.841 180 HG1 THR 35 HG1 THR 35 16.538 -20.697 6.863 181 HG21 THR 35 HG21 THR 35 17.838 -19.531 8.438 182 HG22 THR 35 HG22 THR 35 16.230 -20.047 8.964 183 HG23 THR 35 HG23 THR 35 16.762 -18.395 9.266 184 HA PRO 36 HA PRO 36 12.510 -16.075 4.592 185 HB2 PRO 36 HB2 PRO 36 14.993 -14.672 3.746 186 HB3 PRO 36 HB3 PRO 36 13.375 -14.008 4.055 187 HG2 PRO 36 HG2 PRO 36 15.300 -13.612 5.794 188 HG3 PRO 36 HG3 PRO 36 13.651 -13.976 6.337 189 HD2 PRO 36 HD2 PRO 36 16.042 -15.750 6.293 190 HD3 PRO 36 HD3 PRO 36 14.730 -15.633 7.484 191 H GLN 37 H GLN 37 15.577 -17.647 3.958 192 HA GLN 37 HA GLN 37 14.831 -17.948 1.128 193 HB2 GLN 37 HB2 GLN 37 17.463 -18.572 2.484 194 HB3 GLN 37 HB3 GLN 37 17.133 -18.785 0.771 195 HG2 GLN 37 HG2 GLN 37 16.759 -16.363 0.562 196 HG3 GLN 37 HG3 GLN 37 17.148 -16.172 2.269 197 HE21 GLN 37 HE21 GLN 37 19.301 -16.437 2.939 198 HE22 GLN 37 HE22 GLN 37 20.593 -16.421 1.784 199 H GLN 38 H GLN 38 14.457 -19.603 3.969 200 HA GLN 38 HA GLN 38 14.537 -22.155 2.609 201 HB2 GLN 38 HB2 GLN 38 15.774 -22.041 4.694 202 HB3 GLN 38 HB3 GLN 38 14.363 -21.398 5.518 203 HG2 GLN 38 HG2 GLN 38 13.215 -23.398 5.306 204 HG3 GLN 38 HG3 GLN 38 14.449 -24.086 4.239 205 HE21 GLN 38 HE21 GLN 38 16.393 -24.778 5.129 206 HE22 GLN 38 HE22 GLN 38 16.592 -25.002 6.835 207 H LEU 39 H LEU 39 12.493 -19.863 4.331 208 HA LEU 39 HA LEU 39 10.208 -21.544 3.822 209 HB2 LEU 39 HB2 LEU 39 10.602 -20.089 5.969 210 HB3 LEU 39 HB3 LEU 39 10.082 -18.756 4.965 211 HG LEU 39 HG LEU 39 8.431 -21.192 5.674 212 HD11 LEU 39 HD11 LEU 39 7.139 -19.630 7.036 213 HD12 LEU 39 HD12 LEU 39 8.328 -18.374 6.692 214 HD13 LEU 39 HD13 LEU 39 8.800 -19.817 7.593 215 HD21 LEU 39 HD21 LEU 39 6.546 -19.959 4.740 216 HD22 LEU 39 HD22 LEU 39 7.806 -20.243 3.525 217 HD23 LEU 39 HD23 LEU 39 7.650 -18.653 4.277 218 H HIS 40 H HIS 40 10.548 -21.478 1.641 219 HA HIS 40 HA HIS 40 10.153 -19.166 0.016 220 HB2 HIS 40 HB2 HIS 40 11.224 -21.189 -0.871 221 HB3 HIS 40 HB3 HIS 40 9.805 -22.133 -0.495 222 HD1 HIS 40 HD1 HIS 40 8.342 -22.597 -2.456 223 HD2 HIS 40 HD2 HIS 40 10.568 -19.126 -2.968 224 HE1 HIS 40 HE1 HIS 40 7.822 -21.760 -4.783 225 H GLU 41 H GLU 41 8.254 -18.458 -0.915 226 HA GLU 41 HA GLU 41 5.903 -18.266 0.262 227 HB2 GLU 41 HB2 GLU 41 6.569 -18.434 -2.657 228 HB3 GLU 41 HB3 GLU 41 4.936 -18.103 -2.115 229 HG2 GLU 41 HG2 GLU 41 6.318 -16.096 -2.757 230 HG3 GLU 41 HG3 GLU 41 5.556 -16.028 -1.179 231 H GLU 42 H GLU 42 6.480 -20.785 -2.189 232 HA GLU 42 HA GLU 42 3.978 -21.972 -1.392 233 HB2 GLU 42 HB2 GLU 42 5.710 -22.542 -3.765 234 HB3 GLU 42 HB3 GLU 42 4.321 -23.543 -3.352 235 HG2 GLU 42 HG2 GLU 42 4.310 -20.606 -4.008 236 HG3 GLU 42 HG3 GLU 42 3.620 -21.921 -4.966 237 H SER 43 H SER 43 6.378 -22.241 0.325 238 HA SER 43 HA SER 43 6.638 -25.111 0.475 239 HB2 SER 43 HB2 SER 43 7.213 -23.044 2.621 240 HB3 SER 43 HB3 SER 43 7.874 -24.678 2.508 241 HG SER 43 HG SER 43 8.508 -22.369 1.182 242 H ASN 44 H ASN 44 5.089 -26.381 1.380 243 HA ASN 44 HA ASN 44 2.598 -25.400 2.284 244 HB2 ASN 44 HB2 ASN 44 3.318 -27.993 1.690 245 HB3 ASN 44 HB3 ASN 44 3.712 -27.909 3.343 246 HD21 ASN 44 HD21 ASN 44 0.924 -27.633 1.253 247 HD22 ASN 44 HD22 ASN 44 -0.206 -27.979 2.508 248 H LEU 45 H LEU 45 2.163 -24.398 4.134 249 HA LEU 45 HA LEU 45 4.198 -23.942 6.042 250 HB2 LEU 45 HB2 LEU 45 1.257 -23.409 6.311 251 HB3 LEU 45 HB3 LEU 45 2.522 -22.730 7.319 252 HG LEU 45 HG LEU 45 2.125 -22.259 4.393 253 HD11 LEU 45 HD11 LEU 45 1.600 -19.952 5.098 254 HD12 LEU 45 HD12 LEU 45 1.812 -20.448 6.776 255 HD13 LEU 45 HD13 LEU 45 0.485 -21.120 5.822 256 HD21 LEU 45 HD21 LEU 45 4.196 -21.121 6.275 257 HD22 LEU 45 HD22 LEU 45 3.934 -20.581 4.617 258 HD23 LEU 45 HD23 LEU 45 4.497 -22.222 4.932 259 H ILE 46 H ILE 46 1.573 -26.170 5.972 260 HA ILE 46 HA ILE 46 1.773 -26.930 8.728 261 HB ILE 46 HB ILE 46 0.487 -28.459 6.426 262 HG12 ILE 46 HG12 ILE 46 -0.716 -26.489 8.392 263 HG13 ILE 46 HG11 ILE 46 -0.432 -26.200 6.682 264 HG21 ILE 46 HG21 ILE 46 0.882 -29.884 8.389 265 HG22 ILE 46 HG22 ILE 46 -0.843 -29.576 8.176 266 HG23 ILE 46 HG23 ILE 46 0.062 -28.708 9.416 267 HD11 ILE 46 HD11 ILE 46 -2.337 -28.227 7.843 268 HD12 ILE 46 HD12 ILE 46 -2.063 -27.935 6.124 269 HD13 ILE 46 HD13 ILE 46 -2.775 -26.674 7.130 270 H GLN 47 H GLN 47 3.423 -27.749 5.865 271 HA GLN 47 HA GLN 47 4.663 -30.142 6.985 272 HB2 GLN 47 HB2 GLN 47 4.922 -28.782 4.321 273 HB3 GLN 47 HB3 GLN 47 5.751 -30.236 4.632 274 HG2 GLN 47 HG2 GLN 47 2.759 -29.919 4.624 275 HG3 GLN 47 HG3 GLN 47 3.740 -30.701 3.387 276 HE21 GLN 47 HE21 GLN 47 2.450 -30.973 6.615 277 HE22 GLN 47 HE22 GLN 47 2.753 -32.668 6.776 278 H ALA 48 H ALA 48 5.106 -26.863 6.977 279 HA ALA 48 HA ALA 48 8.020 -27.001 7.117 280 HB1 ALA 48 HB1 ALA 48 6.229 -24.568 6.995 281 HB2 ALA 48 HB2 ALA 48 7.064 -25.298 5.630 282 HB3 ALA 48 HB3 ALA 48 7.992 -24.565 6.938 283 H GLY 49 H GLY 49 5.295 -25.619 9.002 284 HA2 GLY 49 HA2 GLY 49 6.069 -26.585 11.459 285 HA3 GLY 49 HA3 GLY 49 7.010 -25.118 11.252 286 H LEU 50 H LEU 50 3.683 -25.753 10.236 287 HA LEU 50 HA LEU 50 2.537 -23.880 12.252 288 HB2 LEU 50 HB2 LEU 50 2.941 -22.783 9.958 289 HB3 LEU 50 HB3 LEU 50 1.873 -24.004 9.304 290 HG LEU 50 HG LEU 50 0.094 -23.143 10.864 291 HD11 LEU 50 HD11 LEU 50 2.079 -20.916 11.213 292 HD12 LEU 50 HD12 LEU 50 1.502 -22.019 12.466 293 HD13 LEU 50 HD13 LEU 50 0.392 -20.873 11.713 294 HD21 LEU 50 HD21 LEU 50 1.203 -21.196 8.866 295 HD22 LEU 50 HD22 LEU 50 -0.452 -21.247 9.483 296 HD23 LEU 50 HD23 LEU 50 0.161 -22.572 8.490 297 H ASP 51 H ASP 51 0.700 -24.632 13.056 298 HA ASP 51 HA ASP 51 -0.091 -27.222 12.029 299 HB2 ASP 51 HB2 ASP 51 -1.011 -27.529 14.351 300 HB3 ASP 51 HB3 ASP 51 0.745 -27.456 14.256 301 HA 4HH 52 HA 4HH 52 -4.417 -26.559 11.212 302 H 4HH 52 H 4HH 52 -2.228 -27.655 12.076 303 HB3 4HH 52 HB3 4HH 52 -4.278 -28.685 12.369 304 HB2 4HH 52 HB2 4HH 52 -4.339 -27.840 13.922 305 HJ3 4HH 52 HJ3 4HH 52 -7.623 -26.763 13.260 306 HJ2 4HH 52 HJ2 4HH 52 -8.387 -27.188 14.782 307 HL13 4HH 52 HL13 4HH 52 -9.148 -27.094 11.084 308 HL12 4HH 52 HL12 4HH 52 -9.802 -28.571 11.733 309 HL11 4HH 52 HL11 4HH 52 -10.852 -27.178 11.298 310 HL21 4HH 52 HL21 4HH 52 -8.831 -25.263 12.171 311 HL23 4HH 52 HL23 4HH 52 -10.440 -24.857 12.599 312 HL22 4HH 52 HL22 4HH 52 -9.135 -24.906 13.836 313 HL3 4HH 52 HL3 4HH 52 -10.937 -28.223 14.602 314 HM 4HH 52 HM 4HH 52 -11.526 -26.300 15.632 315 HN 4HH 52 HN 4HH 52 -13.223 -27.737 12.301 316 HO2 4HH 52 HO2 4HH 52 -11.989 -25.127 11.764 317 HO3 4HH 52 HO3 4HH 52 -12.504 -26.275 10.624 318 HP3 4HH 52 HP3 4HH 52 -14.266 -24.441 12.204 319 HP2 4HH 52 HP2 4HH 52 -14.895 -25.787 11.208 320 HS2 4HH 52 HS2 4HH 52 -15.007 -22.023 11.232 321 HS3 4HH 52 HS3 4HH 52 -14.515 -21.335 9.633 322 HT3 4HH 52 HT3 4HH 52 -12.392 -20.662 10.791 323 HT2 4HH 52 HT2 4HH 52 -13.132 -21.177 12.306 324 HR 4HH 52 HR 4HH 52 -12.506 -22.943 10.174 325 HU 4HH 52 HU 4HH 52 -13.321 -18.435 12.247 326 H ILE 53 H ILE 53 -4.011 -26.245 14.638 327 HA ILE 53 HA ILE 53 -5.851 -24.258 15.155 328 HB ILE 53 HB ILE 53 -3.374 -24.986 16.679 329 HG12 ILE 53 HG12 ILE 53 -4.839 -26.891 16.399 330 HG13 ILE 53 HG11 ILE 53 -4.954 -26.339 18.065 331 HG21 ILE 53 HG21 ILE 53 -4.496 -23.982 18.673 332 HG22 ILE 53 HG22 ILE 53 -5.820 -23.449 17.638 333 HG23 ILE 53 HG23 ILE 53 -4.213 -22.775 17.414 334 HD11 ILE 53 HD11 ILE 53 -7.089 -25.224 17.529 335 HD12 ILE 53 HD12 ILE 53 -7.143 -26.955 17.215 336 HD13 ILE 53 HD13 ILE 53 -6.984 -25.831 15.876 337 H ARG 54 H ARG 54 -2.267 -23.813 14.659 338 HA ARG 54 HA ARG 54 -2.453 -21.028 15.045 339 HB2 ARG 54 HB2 ARG 54 -0.416 -22.834 13.972 340 HB3 ARG 54 HB3 ARG 54 -0.270 -21.084 13.779 341 HG2 ARG 54 HG2 ARG 54 -0.620 -20.866 16.191 342 HG3 ARG 54 HG3 ARG 54 -0.529 -22.634 16.297 343 HD2 ARG 54 HD2 ARG 54 1.413 -21.012 14.894 344 HD3 ARG 54 HD3 ARG 54 1.613 -21.313 16.650 345 HE ARG 54 HE ARG 54 1.343 -23.766 15.711 346 HH11 ARG 54 HH11 ARG 54 3.157 -21.168 14.100 347 HH12 ARG 54 HH12 ARG 54 4.382 -22.224 13.555 348 HH21 ARG 54 HH21 ARG 54 2.877 -25.116 14.971 349 HH22 ARG 54 HH22 ARG 54 4.227 -24.552 14.021 350 H LEU 55 H LEU 55 -2.784 -23.044 12.248 351 HA LEU 55 HA LEU 55 -2.721 -20.924 10.371 352 HB2 LEU 55 HB2 LEU 55 -2.425 -23.377 9.837 353 HB3 LEU 55 HB3 LEU 55 -4.127 -23.552 10.136 354 HG LEU 55 HG LEU 55 -3.403 -21.505 8.143 355 HD11 LEU 55 HD11 LEU 55 -3.300 -23.244 6.443 356 HD12 LEU 55 HD12 LEU 55 -3.130 -24.439 7.768 357 HD13 LEU 55 HD13 LEU 55 -1.940 -23.106 7.569 358 HD21 LEU 55 HD21 LEU 55 -5.698 -21.937 8.713 359 HD22 LEU 55 HD22 LEU 55 -5.514 -23.643 8.270 360 HD23 LEU 55 HD23 LEU 55 -5.363 -22.377 7.038 361 H MET 56 H MET 56 -5.284 -22.517 12.134 362 HA MET 56 HA MET 56 -7.388 -20.946 11.047 363 HB2 MET 56 HB2 MET 56 -7.895 -22.937 12.341 364 HB3 MET 56 HB3 MET 56 -7.163 -22.210 13.764 365 HG2 MET 56 HG2 MET 56 -8.949 -20.306 13.303 366 HG3 MET 56 HG3 MET 56 -9.791 -21.605 12.469 367 HE1 MET 56 HE1 MET 56 -8.534 -21.543 16.846 368 HE2 MET 56 HE2 MET 56 -7.883 -20.552 15.486 369 HE3 MET 56 HE3 MET 56 -7.519 -22.266 15.609 370 H ARG 57 H ARG 57 -5.098 -20.480 13.583 371 HA ARG 57 HA ARG 57 -6.301 -18.274 14.647 372 HB2 ARG 57 HB2 ARG 57 -4.457 -19.618 15.716 373 HB3 ARG 57 HB3 ARG 57 -3.383 -18.791 14.603 374 HG2 ARG 57 HG2 ARG 57 -3.266 -17.790 16.804 375 HG3 ARG 57 HG3 ARG 57 -3.912 -16.653 15.610 376 HD2 ARG 57 HD2 ARG 57 -6.138 -17.178 16.272 377 HD3 ARG 57 HD3 ARG 57 -5.524 -18.384 17.411 378 HE ARG 57 HE ARG 57 -4.318 -16.103 18.192 379 HH11 ARG 57 HH11 ARG 57 -7.733 -16.889 17.646 380 HH12 ARG 57 HH12 ARG 57 -8.359 -15.841 18.816 381 HH21 ARG 57 HH21 ARG 57 -5.163 -14.618 19.879 382 HH22 ARG 57 HH22 ARG 57 -6.834 -14.514 20.146 383 H TRP 58 H TRP 58 -4.234 -18.805 11.800 384 HA TRP 58 HA TRP 58 -3.699 -16.079 11.275 385 HB2 TRP 58 HB2 TRP 58 -3.516 -18.562 9.603 386 HB3 TRP 58 HB3 TRP 58 -3.293 -16.969 8.890 387 HD1 TRP 58 HD1 TRP 58 -1.342 -19.650 10.303 388 HE1 TRP 58 HE1 TRP 58 0.985 -18.793 11.083 389 HE3 TRP 58 HE3 TRP 58 -2.256 -14.638 10.211 390 HZ2 TRP 58 HZ2 TRP 58 2.265 -16.248 11.530 391 HZ3 TRP 58 HZ3 TRP 58 -0.461 -13.078 10.803 392 HH2 TRP 58 HH2 TRP 58 1.738 -13.880 11.441 393 H LEU 59 H LEU 59 -6.244 -18.309 10.332 394 HA LEU 59 HA LEU 59 -7.553 -16.552 8.538 395 HB2 LEU 59 HB2 LEU 59 -8.280 -18.901 8.776 396 HB3 LEU 59 HB3 LEU 59 -8.925 -18.523 10.364 397 HG LEU 59 HG LEU 59 -10.366 -16.818 9.346 398 HD11 LEU 59 HD11 LEU 59 -10.763 -16.936 6.935 399 HD12 LEU 59 HD12 LEU 59 -9.343 -17.979 6.771 400 HD13 LEU 59 HD13 LEU 59 -9.171 -16.318 7.354 401 HD21 LEU 59 HD21 LEU 59 -10.589 -19.541 8.263 402 HD22 LEU 59 HD22 LEU 59 -11.925 -18.364 8.428 403 HD23 LEU 59 HD23 LEU 59 -11.108 -19.019 9.879 404 H HIS 60 H HIS 60 -7.608 -16.880 11.959 405 HA HIS 60 HA HIS 60 -9.628 -15.079 12.602 406 HB2 HIS 60 HB2 HIS 60 -8.466 -16.578 14.217 407 HB3 HIS 60 HB3 HIS 60 -7.045 -15.544 14.105 408 HD1 HIS 60 HD1 HIS 60 -6.944 -13.776 15.883 409 HD2 HIS 60 HD2 HIS 60 -10.749 -15.043 14.970 410 HE1 HIS 60 HE1 HIS 60 -8.445 -12.612 17.558 411 H TRP 61 H TRP 61 -6.176 -14.596 12.091 412 HA TRP 61 HA TRP 61 -6.080 -11.832 12.453 413 HB2 TRP 61 HB2 TRP 61 -4.078 -13.204 12.468 414 HB3 TRP 61 HB3 TRP 61 -4.374 -13.721 10.820 415 HD1 TRP 61 HD1 TRP 61 -3.397 -10.502 12.753 416 HE1 TRP 61 HE1 TRP 61 -1.885 -9.093 11.182 417 HE3 TRP 61 HE3 TRP 61 -3.663 -13.360 8.521 418 HZ2 TRP 61 HZ2 TRP 61 -0.946 -9.185 8.557 419 HZ3 TRP 61 HZ3 TRP 61 -2.424 -12.629 6.529 420 HH2 TRP 61 HH2 TRP 61 -1.097 -10.586 6.548 421 H PHE 62 H PHE 62 -6.397 -13.759 9.484 422 HA PHE 62 HA PHE 62 -6.655 -11.713 7.627 423 HB2 PHE 62 HB2 PHE 62 -7.760 -14.495 7.659 424 HB3 PHE 62 HB3 PHE 62 -8.113 -13.415 6.327 425 HD1 PHE 62 HD1 PHE 62 -5.977 -12.272 5.282 426 HD2 PHE 62 HD2 PHE 62 -5.962 -15.908 7.483 427 HE1 PHE 62 HE1 PHE 62 -3.906 -12.952 4.153 428 HE2 PHE 62 HE2 PHE 62 -3.892 -16.584 6.366 429 HZ PHE 62 HZ PHE 62 -2.867 -15.109 4.690 430 H ARG 63 H ARG 63 -9.319 -13.388 9.299 431 HA ARG 63 HA ARG 63 -11.335 -11.822 8.069 432 HB2 ARG 63 HB2 ARG 63 -11.411 -13.540 10.506 433 HB3 ARG 63 HB3 ARG 63 -12.817 -12.682 9.880 434 HG2 ARG 63 HG2 ARG 63 -12.204 -13.821 7.641 435 HG3 ARG 63 HG3 ARG 63 -11.281 -14.925 8.660 436 HD2 ARG 63 HD2 ARG 63 -13.251 -15.425 9.948 437 HD3 ARG 63 HD3 ARG 63 -14.103 -14.178 9.009 438 HE ARG 63 HE ARG 63 -13.078 -16.071 7.227 439 HH11 ARG 63 HH11 ARG 63 -15.568 -16.017 9.729 440 HH12 ARG 63 HH12 ARG 63 -16.633 -17.069 8.924 441 HH21 ARG 63 HH21 ARG 63 -14.486 -17.460 6.091 442 HH22 ARG 63 HH22 ARG 63 -16.001 -17.931 6.724 443 H LYS 64 H LYS 64 -9.456 -11.387 10.886 444 HA LYS 64 HA LYS 64 -11.014 -9.216 11.967 445 HB2 LYS 64 HB2 LYS 64 -9.609 -10.853 13.252 446 HB3 LYS 64 HB3 LYS 64 -8.214 -10.107 12.513 447 HG2 LYS 64 HG2 LYS 64 -9.155 -7.922 13.557 448 HG3 LYS 64 HG3 LYS 64 -10.037 -9.038 14.604 449 HD2 LYS 64 HD2 LYS 64 -7.928 -8.431 15.633 450 HD3 LYS 64 HD3 LYS 64 -7.966 -10.148 15.170 451 HE2 LYS 64 HE2 LYS 64 -5.813 -8.864 14.609 452 HE3 LYS 64 HE3 LYS 64 -6.505 -9.802 13.302 453 HZ1 LYS 64 HZ1 LYS 64 -6.618 -6.821 13.651 454 HZ2 LYS 64 HZ2 LYS 64 -7.616 -7.649 12.586 455 HZ3 LYS 64 HZ3 LYS 64 -5.996 -7.711 12.338 456 H ASN 65 H ASN 65 -8.884 -9.570 9.391 457 HA ASN 65 HA ASN 65 -8.078 -6.755 9.430 458 HB2 ASN 65 HB2 ASN 65 -6.886 -9.183 8.082 459 HB3 ASN 65 HB3 ASN 65 -6.567 -7.579 7.442 460 HD21 ASN 65 HD21 ASN 65 -4.294 -7.956 7.886 461 HD22 ASN 65 HD22 ASN 65 -3.689 -7.795 9.452 462 H GLY 66 H GLY 66 -10.486 -8.639 8.362 463 HA2 GLY 66 HA2 GLY 66 -12.253 -7.572 7.130 464 HA3 GLY 66 HA3 GLY 66 -11.033 -6.777 6.154 465 H TYR 67 H TYR 67 -9.826 -9.729 6.317 466 HA TYR 67 HA TYR 67 -10.838 -10.411 3.673 467 HB2 TYR 67 HB2 TYR 67 -8.705 -11.736 5.372 468 HB3 TYR 67 HB3 TYR 67 -9.077 -12.161 3.707 469 HD1 TYR 67 HD2 TYR 67 -7.912 -9.349 5.837 470 HD2 TYR 67 HD1 TYR 67 -7.891 -11.117 1.971 471 HE1 TYR 67 HE2 TYR 67 -6.256 -7.703 5.107 472 HE2 TYR 67 HE1 TYR 67 -6.202 -9.474 1.227 473 HH TYR 67 HH TYR 67 -4.588 -7.452 3.455 474 H ARG 68 H ARG 68 -12.720 -11.513 3.649 475 HA ARG 68 HA ARG 68 -13.250 -13.289 5.862 476 HB2 ARG 68 HB2 ARG 68 -14.991 -12.062 3.756 477 HB3 ARG 68 HB3 ARG 68 -15.554 -13.419 4.729 478 HG2 ARG 68 HG2 ARG 68 -15.869 -12.154 6.534 479 HG3 ARG 68 HG3 ARG 68 -14.365 -11.264 6.293 480 HD2 ARG 68 HD2 ARG 68 -16.866 -10.797 4.683 481 HD3 ARG 68 HD3 ARG 68 -16.450 -9.883 6.135 482 HE ARG 68 HE ARG 68 -14.232 -9.657 4.627 483 HH11 ARG 68 HH11 ARG 68 -17.658 -8.996 3.782 484 HH12 ARG 68 HH12 ARG 68 -17.141 -7.806 2.638 485 HH21 ARG 68 HH21 ARG 68 -13.758 -7.994 3.153 486 HH22 ARG 68 HH22 ARG 68 -15.101 -7.258 2.303 487 H LEU 69 H LEU 69 -11.503 -14.535 5.054 488 HA LEU 69 HA LEU 69 -11.986 -16.250 2.743 489 HB2 LEU 69 HB2 LEU 69 -9.831 -16.500 4.852 490 HB3 LEU 69 HB3 LEU 69 -9.829 -17.192 3.251 491 HG LEU 69 HG LEU 69 -9.542 -14.250 3.880 492 HD11 LEU 69 HD11 LEU 69 -7.224 -14.546 3.218 493 HD12 LEU 69 HD12 LEU 69 -7.497 -16.268 2.979 494 HD13 LEU 69 HD13 LEU 69 -7.611 -15.573 4.599 495 HD21 LEU 69 HD21 LEU 69 -9.236 -15.753 1.295 496 HD22 LEU 69 HD22 LEU 69 -8.902 -14.039 1.548 497 HD23 LEU 69 HD23 LEU 69 -10.549 -14.650 1.704 498 H THR 70 H THR 70 -12.293 -18.535 3.042 499 HA THR 70 HA THR 70 -13.377 -19.233 5.638 500 HB THR 70 HB THR 70 -13.149 -21.040 3.254 501 HG1 THR 70 HG1 THR 70 -14.178 -19.284 2.436 502 HG21 THR 70 HG21 THR 70 -15.186 -20.826 5.482 503 HG22 THR 70 HG22 THR 70 -13.906 -22.031 5.367 504 HG23 THR 70 HG23 THR 70 -15.214 -22.020 4.185 505 H LEU 71 H LEU 71 -12.505 -20.888 6.840 506 HA LEU 71 HA LEU 71 -9.677 -21.081 6.900 507 HB2 LEU 71 HB2 LEU 71 -11.213 -21.327 8.859 508 HB3 LEU 71 HB3 LEU 71 -11.694 -22.873 8.212 509 HG LEU 71 HG LEU 71 -9.393 -23.689 8.463 510 HD11 LEU 71 HD11 LEU 71 -7.850 -22.449 9.846 511 HD12 LEU 71 HD12 LEU 71 -8.950 -21.079 9.866 512 HD13 LEU 71 HD13 LEU 71 -8.181 -21.575 8.345 513 HD21 LEU 71 HD21 LEU 71 -10.715 -22.583 10.910 514 HD22 LEU 71 HD22 LEU 71 -9.428 -23.786 10.895 515 HD23 LEU 71 HD23 LEU 71 -10.987 -24.158 10.157 516 H ARG 72 H ARG 72 -12.172 -22.957 5.538 517 HA ARG 72 HA ARG 72 -10.718 -25.346 5.141 518 HB2 ARG 72 HB2 ARG 72 -13.201 -24.374 3.767 519 HB3 ARG 72 HB3 ARG 72 -12.643 -26.045 3.810 520 HG2 ARG 72 HG2 ARG 72 -12.919 -26.104 6.227 521 HG3 ARG 72 HG3 ARG 72 -13.410 -24.416 6.231 522 HD2 ARG 72 HD2 ARG 72 -15.345 -25.068 4.791 523 HD3 ARG 72 HD3 ARG 72 -14.877 -26.755 5.030 524 HE ARG 72 HE ARG 72 -15.077 -25.431 7.511 525 HH11 ARG 72 HH11 ARG 72 -17.139 -26.788 4.976 526 HH12 ARG 72 HH12 ARG 72 -18.479 -27.068 5.982 527 HH21 ARG 72 HH21 ARG 72 -16.886 -25.789 8.911 528 HH22 ARG 72 HH22 ARG 72 -18.333 -26.474 8.330 529 H GLU 73 H GLU 73 -11.024 -22.338 3.395 530 HA GLU 73 HA GLU 73 -10.044 -23.231 0.887 531 HB2 GLU 73 HB2 GLU 73 -10.060 -20.498 2.213 532 HB3 GLU 73 HB3 GLU 73 -9.491 -20.769 0.578 533 HG2 GLU 73 HG2 GLU 73 -11.670 -21.410 -0.140 534 HG3 GLU 73 HG3 GLU 73 -12.301 -21.365 1.506 535 H LEU 74 H LEU 74 -8.670 -21.890 3.833 536 HA LEU 74 HA LEU 74 -6.048 -21.684 2.832 537 HB2 LEU 74 HB2 LEU 74 -6.861 -21.874 5.721 538 HB3 LEU 74 HB3 LEU 74 -5.316 -21.317 5.121 539 HG LEU 74 HG LEU 74 -7.963 -19.949 5.120 540 HD11 LEU 74 HD11 LEU 74 -5.221 -19.132 5.923 541 HD12 LEU 74 HD12 LEU 74 -6.485 -19.685 7.037 542 HD13 LEU 74 HD13 LEU 74 -6.674 -18.160 6.146 543 HD21 LEU 74 HD21 LEU 74 -5.564 -19.175 3.510 544 HD22 LEU 74 HD22 LEU 74 -7.011 -18.175 3.792 545 HD23 LEU 74 HD23 LEU 74 -7.140 -19.683 2.870 546 H TYR 75 H TYR 75 -7.782 -24.174 4.645 547 HA TYR 75 HA TYR 75 -5.474 -25.768 5.097 548 HB2 TYR 75 HB2 TYR 75 -8.412 -26.354 5.438 549 HB3 TYR 75 HB3 TYR 75 -7.238 -27.675 5.514 550 HD1 TYR 75 HD2 TYR 75 -5.113 -26.500 6.937 551 HD2 TYR 75 HD1 TYR 75 -9.266 -26.037 7.304 552 HE1 TYR 75 HE2 TYR 75 -4.814 -25.982 9.339 553 HE2 TYR 75 HE1 TYR 75 -9.048 -25.531 9.664 554 HH TYR 75 HH TYR 75 -7.321 -26.061 11.469 555 H ALA 76 H ALA 76 -7.581 -25.437 2.421 556 HA ALA 76 HA ALA 76 -6.933 -27.941 1.354 557 HB1 ALA 76 HB1 ALA 76 -8.073 -25.521 -0.053 558 HB2 ALA 76 HB2 ALA 76 -8.998 -26.807 0.721 559 HB3 ALA 76 HB3 ALA 76 -8.031 -27.158 -0.715 560 H ALA 77 H ALA 77 -5.699 -24.684 1.005 561 HA ALA 77 HA ALA 77 -3.281 -25.791 -0.167 562 HB1 ALA 77 HB1 ALA 77 -3.097 -23.942 -1.761 563 HB2 ALA 77 HB2 ALA 77 -4.656 -23.314 -1.230 564 HB3 ALA 77 HB3 ALA 77 -4.568 -24.871 -2.056 565 HA PRO 78 HA PRO 78 -2.262 -22.861 3.132 566 HB2 PRO 78 HB2 PRO 78 -0.704 -24.701 4.550 567 HB3 PRO 78 HB3 PRO 78 -2.399 -24.310 4.897 568 HG2 PRO 78 HG2 PRO 78 -1.410 -26.780 3.974 569 HG3 PRO 78 HG3 PRO 78 -3.105 -26.294 4.146 570 HD2 PRO 78 HD2 PRO 78 -1.427 -26.385 1.710 571 HD3 PRO 78 HD3 PRO 78 -3.189 -26.537 1.888 572 H THR 79 H THR 79 -1.041 -21.912 1.424 573 HA THR 79 HA THR 79 1.793 -22.209 1.772 574 HB THR 79 HB THR 79 2.074 -22.023 -0.742 575 HG1 THR 79 HG1 THR 79 0.488 -22.236 -2.043 576 HG21 THR 79 HG21 THR 79 0.733 -24.529 0.229 577 HG22 THR 79 HG22 THR 79 2.462 -24.178 0.343 578 HG23 THR 79 HG23 THR 79 1.703 -24.416 -1.241 579 H LEU 80 H LEU 80 2.836 -20.216 0.855 580 HA LEU 80 HA LEU 80 1.225 -18.073 1.765 581 HB2 LEU 80 HB2 LEU 80 4.067 -18.516 1.322 582 HB3 LEU 80 HB3 LEU 80 3.543 -16.873 0.994 583 HG LEU 80 HG LEU 80 2.835 -18.215 3.612 584 HD11 LEU 80 HD11 LEU 80 5.303 -16.614 2.910 585 HD12 LEU 80 HD12 LEU 80 5.281 -18.281 3.524 586 HD13 LEU 80 HD13 LEU 80 4.731 -16.933 4.534 587 HD21 LEU 80 HD21 LEU 80 1.635 -16.246 2.965 588 HD22 LEU 80 HD22 LEU 80 3.154 -15.387 2.723 589 HD23 LEU 80 HD23 LEU 80 2.697 -15.932 4.334 590 H ALA 81 H ALA 81 2.384 -19.015 -1.471 591 HA ALA 81 HA ALA 81 1.669 -16.433 -2.488 592 HB1 ALA 81 HB1 ALA 81 2.170 -17.342 -4.704 593 HB2 ALA 81 HB2 ALA 81 2.322 -18.959 -4.015 594 HB3 ALA 81 HB3 ALA 81 3.473 -17.698 -3.572 595 H ALA 82 H ALA 82 0.151 -19.573 -2.218 596 HA ALA 82 HA ALA 82 -2.111 -18.917 -3.798 597 HB1 ALA 82 HB1 ALA 82 -3.307 -20.664 -2.635 598 HB2 ALA 82 HB2 ALA 82 -1.997 -20.822 -1.461 599 HB3 ALA 82 HB3 ALA 82 -1.724 -21.241 -3.167 600 H TRP 83 H TRP 83 -1.462 -18.625 -0.324 601 HA TRP 83 HA TRP 83 -3.932 -17.464 0.331 602 HB2 TRP 83 HB2 TRP 83 -1.235 -17.220 1.633 603 HB3 TRP 83 HB3 TRP 83 -2.665 -16.426 2.275 604 HD1 TRP 83 HD1 TRP 83 -3.566 -19.802 0.951 605 HE1 TRP 83 HE1 TRP 83 -3.767 -21.469 2.834 606 HE3 TRP 83 HE3 TRP 83 -1.534 -16.983 4.536 607 HZ2 TRP 83 HZ2 TRP 83 -3.200 -21.534 5.612 608 HZ3 TRP 83 HZ3 TRP 83 -1.376 -17.885 6.875 609 HH2 TRP 83 HH2 TRP 83 -2.194 -20.127 7.380 610 H ASN 84 H ASN 84 -0.892 -16.002 -0.534 611 HA ASN 84 HA ASN 84 -1.523 -13.315 -0.645 612 HB2 ASN 84 HB2 ASN 84 0.708 -14.111 -1.200 613 HB3 ASN 84 HB3 ASN 84 0.094 -14.918 -2.636 614 HD21 ASN 84 HD21 ASN 84 -0.220 -13.750 -4.478 615 HD22 ASN 84 HD22 ASN 84 0.272 -12.093 -4.631 616 H GLN 85 H GLN 85 -2.168 -15.725 -3.171 617 HA GLN 85 HA GLN 85 -3.484 -14.018 -4.984 618 HB2 GLN 85 HB2 GLN 85 -2.660 -16.256 -5.605 619 HB3 GLN 85 HB3 GLN 85 -3.821 -17.007 -4.532 620 HG2 GLN 85 HG2 GLN 85 -5.652 -16.073 -5.902 621 HG3 GLN 85 HG3 GLN 85 -4.454 -15.401 -7.004 622 HE21 GLN 85 HE21 GLN 85 -5.208 -16.599 -8.728 623 HE22 GLN 85 HE22 GLN 85 -4.947 -18.312 -8.833 624 H LEU 86 H LEU 86 -4.686 -16.121 -2.404 625 HA LEU 86 HA LEU 86 -7.433 -15.664 -2.660 626 HB2 LEU 86 HB2 LEU 86 -5.867 -16.282 -0.166 627 HB3 LEU 86 HB3 LEU 86 -7.598 -16.446 -0.347 628 HG LEU 86 HG LEU 86 -5.536 -18.059 -1.865 629 HD11 LEU 86 HD11 LEU 86 -7.376 -18.871 0.341 630 HD12 LEU 86 HD12 LEU 86 -5.652 -18.529 0.538 631 HD13 LEU 86 HD13 LEU 86 -6.173 -19.886 -0.477 632 HD21 LEU 86 HD21 LEU 86 -7.623 -17.807 -3.125 633 HD22 LEU 86 HD22 LEU 86 -8.519 -18.356 -1.692 634 HD23 LEU 86 HD23 LEU 86 -7.402 -19.449 -2.500 635 H MET 87 H MET 87 -4.939 -13.621 -1.441 636 HA MET 87 HA MET 87 -6.630 -12.046 0.321 637 HB2 MET 87 HB2 MET 87 -3.746 -11.916 -0.482 638 HB3 MET 87 HB3 MET 87 -4.428 -10.650 0.492 639 HG2 MET 87 HG2 MET 87 -4.994 -12.416 2.190 640 HG3 MET 87 HG3 MET 87 -4.153 -13.579 1.169 641 HE1 MET 87 HE1 MET 87 -3.860 -10.546 3.586 642 HE2 MET 87 HE2 MET 87 -3.269 -9.807 2.096 643 HE3 MET 87 HE3 MET 87 -2.164 -10.090 3.438 644 H LEU 88 H LEU 88 -4.669 -11.687 -2.521 645 HA LEU 88 HA LEU 88 -5.433 -9.022 -2.942 646 HB2 LEU 88 HB2 LEU 88 -3.236 -9.489 -3.283 647 HB3 LEU 88 HB3 LEU 88 -3.561 -11.030 -4.056 648 HG LEU 88 HG LEU 88 -4.541 -9.921 -5.762 649 HD11 LEU 88 HD11 LEU 88 -3.232 -7.446 -4.519 650 HD12 LEU 88 HD12 LEU 88 -4.958 -7.669 -4.826 651 HD13 LEU 88 HD13 LEU 88 -3.846 -7.424 -6.171 652 HD21 LEU 88 HD21 LEU 88 -1.643 -9.364 -5.333 653 HD22 LEU 88 HD22 LEU 88 -2.433 -9.130 -6.886 654 HD23 LEU 88 HD23 LEU 88 -2.399 -10.756 -6.143 655 H SER 89 H SER 89 -5.857 -12.059 -4.844 656 HA SER 89 HA SER 89 -7.185 -10.675 -6.913 657 HB2 SER 89 HB2 SER 89 -7.068 -13.635 -6.327 658 HB3 SER 89 HB3 SER 89 -7.543 -12.897 -7.861 659 HG SER 89 HG SER 89 -5.418 -11.904 -7.851 660 H ARG 90 H ARG 90 -8.238 -11.908 -3.914 661 HA ARG 90 HA ARG 90 -10.940 -12.451 -4.558 662 HB2 ARG 90 HB2 ARG 90 -9.583 -13.151 -2.515 663 HB3 ARG 90 HB3 ARG 90 -9.869 -11.533 -1.911 664 HG2 ARG 90 HG2 ARG 90 -12.243 -11.924 -1.858 665 HG3 ARG 90 HG3 ARG 90 -12.016 -13.518 -2.603 666 HD2 ARG 90 HD2 ARG 90 -10.485 -14.059 -0.673 667 HD3 ARG 90 HD3 ARG 90 -11.064 -12.590 0.088 668 HE ARG 90 HE ARG 90 -13.167 -13.548 0.363 669 HH11 ARG 90 HH11 ARG 90 -10.892 -15.831 -1.147 670 HH12 ARG 90 HH12 ARG 90 -11.598 -17.242 -0.488 671 HH21 ARG 90 HH21 ARG 90 -14.089 -15.526 1.328 672 HH22 ARG 90 HH22 ARG 90 -13.425 -17.071 0.925 673 H SER 91 H SER 91 -9.096 -9.606 -3.530 674 HA SER 91 HA SER 91 -9.466 -7.414 -3.712 675 HB2 SER 91 HB2 SER 91 -11.883 -8.235 -5.377 676 HB3 SER 91 HB3 SER 91 -11.140 -6.632 -5.368 677 HG SER 91 HG SER 91 -10.182 -9.061 -6.342 678 HA PRO 92 HA PRO 92 -12.391 -6.150 -0.537 679 HB2 PRO 92 HB2 PRO 92 -13.970 -4.273 -2.194 680 HB3 PRO 92 HB3 PRO 92 -12.992 -3.934 -0.751 681 HG2 PRO 92 HG2 PRO 92 -12.177 -3.130 -3.128 682 HG3 PRO 92 HG3 PRO 92 -11.030 -3.758 -1.925 683 HD2 PRO 92 HD2 PRO 92 -12.186 -5.140 -4.305 684 HD3 PRO 92 HD3 PRO 92 -10.510 -5.137 -3.706 685 H GLU 93 H GLU 93 -13.819 -7.547 0.094 686 HA GLU 93 HA GLU 93 -15.949 -8.563 -1.568 687 HB2 GLU 93 HB2 GLU 93 -15.396 -9.108 1.354 688 HB3 GLU 93 HB3 GLU 93 -16.271 -10.121 0.223 689 HG2 GLU 93 HG2 GLU 93 -14.270 -10.790 -0.861 690 HG3 GLU 93 HG3 GLU 93 -13.330 -9.547 -0.033 Start of MODEL 13 1 H ASP 14 HT1 ASP 14 4.736 -10.600 -3.946 2 HA ASP 14 HA ASP 14 2.722 -9.457 -2.068 3 HB2 ASP 14 HB2 ASP 14 5.426 -9.297 -1.864 4 HB3 ASP 14 HB3 ASP 14 5.092 -7.956 -2.964 5 H ASN 15 H ASN 15 2.377 -7.095 -2.788 6 HA ASN 15 HA ASN 15 2.498 -6.378 -5.466 7 HB2 ASN 15 HB2 ASN 15 0.946 -8.283 -5.909 8 HB3 ASN 15 HB3 ASN 15 -0.240 -7.556 -4.834 9 HD21 ASN 15 HD21 ASN 15 -1.772 -7.490 -6.588 10 HD22 ASN 15 HD22 ASN 15 -1.680 -6.346 -7.800 11 H ARG 16 H ARG 16 -0.601 -5.983 -3.719 12 HA ARG 16 HA ARG 16 0.377 -3.417 -2.783 13 HB2 ARG 16 HB2 ARG 16 -2.006 -3.682 -4.561 14 HB3 ARG 16 HB3 ARG 16 -1.969 -2.387 -3.375 15 HG2 ARG 16 HG2 ARG 16 -1.002 -1.217 -5.059 16 HG3 ARG 16 HG3 ARG 16 0.459 -2.044 -4.536 17 HD2 ARG 16 HD2 ARG 16 0.355 -2.267 -6.891 18 HD3 ARG 16 HD3 ARG 16 -0.115 -3.836 -6.227 19 HE ARG 16 HE ARG 16 -2.363 -2.155 -6.631 20 HH11 ARG 16 HH11 ARG 16 -0.204 -4.412 -8.335 21 HH12 ARG 16 HH12 ARG 16 -1.352 -4.731 -9.565 22 HH21 ARG 16 HH21 ARG 16 -3.843 -2.575 -8.350 23 HH22 ARG 16 HH22 ARG 16 -3.440 -3.699 -9.569 24 H HIS 17 H HIS 17 -2.982 -4.684 -2.625 25 HA HIS 17 HA HIS 17 -3.148 -4.121 0.285 26 HB2 HIS 17 HB2 HIS 17 -5.048 -4.376 -1.650 27 HB3 HIS 17 HB3 HIS 17 -4.959 -6.043 -1.111 28 HD1 HIS 17 HD1 HIS 17 -5.654 -6.430 1.518 29 HD2 HIS 17 HD2 HIS 17 -6.495 -2.699 -0.122 30 HE1 HIS 17 HE1 HIS 17 -7.354 -5.364 3.022 31 H ALA 18 H ALA 18 -2.076 -6.606 -1.533 32 HA ALA 18 HA ALA 18 -2.032 -8.538 0.508 33 HB1 ALA 18 HB1 ALA 18 -1.586 -8.670 -2.098 34 HB2 ALA 18 HB2 ALA 18 -1.077 -9.860 -0.969 35 HB3 ALA 18 HB3 ALA 18 0.108 -8.647 -1.551 36 H ALA 19 H ALA 19 -0.240 -5.613 0.236 37 HA ALA 19 HA ALA 19 2.120 -6.315 1.533 38 HB1 ALA 19 HB1 ALA 19 1.741 -4.099 0.537 39 HB2 ALA 19 HB2 ALA 19 2.303 -4.008 2.213 40 HB3 ALA 19 HB3 ALA 19 0.602 -3.733 1.840 41 H ASP 20 H ASP 20 -1.124 -6.203 2.869 42 HA ASP 20 HA ASP 20 -0.219 -5.985 5.583 43 HB2 ASP 20 HB2 ASP 20 -2.453 -6.376 6.268 44 HB3 ASP 20 HB3 ASP 20 -2.673 -5.618 4.701 45 H TYR 21 H TYR 21 -0.623 -8.411 3.227 46 HA TYR 21 HA TYR 21 -0.232 -10.687 4.949 47 HB2 TYR 21 HB2 TYR 21 -0.532 -12.009 3.090 48 HB3 TYR 21 HB3 TYR 21 -0.784 -10.522 2.256 49 HD1 TYR 21 HD1 TYR 21 2.274 -12.684 3.155 50 HD2 TYR 21 HD2 TYR 21 0.256 -10.284 0.303 51 HE1 TYR 21 HE1 TYR 21 3.898 -13.290 1.536 52 HE2 TYR 21 HE2 TYR 21 1.928 -10.856 -1.349 53 HH TYR 21 HH TYR 21 4.170 -13.290 -0.977 54 H GLN 22 H GLN 22 1.924 -8.365 3.827 55 HA GLN 22 HA GLN 22 4.334 -9.717 4.014 56 HB2 GLN 22 HB2 GLN 22 4.380 -7.442 3.280 57 HB3 GLN 22 HB3 GLN 22 3.688 -6.878 4.803 58 HG2 GLN 22 HG2 GLN 22 5.629 -7.626 5.990 59 HG3 GLN 22 HG3 GLN 22 6.289 -8.265 4.498 60 HE21 GLN 22 HE21 GLN 22 8.094 -7.099 4.763 61 HE22 GLN 22 HE22 GLN 22 8.191 -5.385 4.463 62 H GLN 23 H GLN 23 2.341 -8.355 6.581 63 HA GLN 23 HA GLN 23 4.206 -8.916 8.648 64 HB2 GLN 23 HB2 GLN 23 1.202 -8.536 8.873 65 HB3 GLN 23 HB3 GLN 23 2.290 -8.632 10.242 66 HG2 GLN 23 HG2 GLN 23 1.840 -6.340 9.972 67 HG3 GLN 23 HG3 GLN 23 3.440 -6.566 9.282 68 HE21 GLN 23 HE21 GLN 23 3.720 -6.240 7.037 69 HE22 GLN 23 HE22 GLN 23 2.466 -5.577 6.056 70 H LEU 24 H LEU 24 1.759 -10.782 7.103 71 HA LEU 24 HA LEU 24 1.772 -13.104 8.795 72 HB2 LEU 24 HB2 LEU 24 0.001 -12.811 7.188 73 HB3 LEU 24 HB3 LEU 24 1.148 -12.633 5.881 74 HG LEU 24 HG LEU 24 1.801 -15.035 6.280 75 HD11 LEU 24 HD11 LEU 24 -0.704 -15.044 7.919 76 HD12 LEU 24 HD12 LEU 24 0.940 -15.322 8.496 77 HD13 LEU 24 HD13 LEU 24 0.191 -16.464 7.381 78 HD21 LEU 24 HD21 LEU 24 -1.020 -14.468 5.427 79 HD22 LEU 24 HD22 LEU 24 -0.061 -15.919 5.042 80 HD23 LEU 24 HD23 LEU 24 0.421 -14.355 4.417 81 H ARG 25 H ARG 25 3.392 -12.388 5.753 82 HA ARG 25 HA ARG 25 4.862 -14.678 5.470 83 HB2 ARG 25 HB2 ARG 25 4.386 -12.936 3.812 84 HB3 ARG 25 HB3 ARG 25 5.517 -11.878 4.633 85 HG2 ARG 25 HG2 ARG 25 7.300 -13.446 4.165 86 HG3 ARG 25 HG3 ARG 25 6.137 -14.463 3.287 87 HD2 ARG 25 HD2 ARG 25 7.295 -13.045 1.667 88 HD3 ARG 25 HD3 ARG 25 5.603 -12.542 1.864 89 HE ARG 25 HE ARG 25 7.580 -11.208 3.501 90 HH11 ARG 25 HH11 ARG 25 5.406 -11.001 0.686 91 HH12 ARG 25 HH12 ARG 25 5.467 -9.283 0.631 92 HH21 ARG 25 HH21 ARG 25 7.689 -8.963 3.348 93 HH22 ARG 25 HH22 ARG 25 6.834 -8.102 2.122 94 H GLU 26 H GLU 26 6.020 -11.536 6.703 95 HA GLU 26 HA GLU 26 8.529 -12.439 7.394 96 HB2 GLU 26 HB2 GLU 26 6.967 -10.011 7.935 97 HB3 GLU 26 HB3 GLU 26 8.297 -10.339 9.034 98 HG2 GLU 26 HG2 GLU 26 9.143 -8.968 7.291 99 HG3 GLU 26 HG3 GLU 26 9.830 -10.558 7.111 100 H ARG 27 H ARG 27 5.544 -12.456 9.327 101 HA ARG 27 HA ARG 27 6.928 -13.215 11.694 102 HB2 ARG 27 HB2 ARG 27 4.863 -12.132 12.011 103 HB3 ARG 27 HB3 ARG 27 4.023 -13.287 10.978 104 HG2 ARG 27 HG2 ARG 27 4.251 -15.015 12.530 105 HG3 ARG 27 HG3 ARG 27 5.446 -14.122 13.469 106 HD2 ARG 27 HD2 ARG 27 3.924 -12.726 14.328 107 HD3 ARG 27 HD3 ARG 27 2.729 -13.041 13.072 108 HE ARG 27 HE ARG 27 3.238 -15.454 14.442 109 HH11 ARG 27 HH11 ARG 27 1.687 -12.393 15.215 110 HH12 ARG 27 HH12 ARG 27 0.616 -13.084 16.358 111 HH21 ARG 27 HH21 ARG 27 1.940 -16.350 15.816 112 HH22 ARG 27 HH22 ARG 27 0.752 -15.524 16.763 113 H LEU 28 H LEU 28 5.486 -14.954 9.019 114 HA LEU 28 HA LEU 28 5.340 -17.489 10.271 115 HB2 LEU 28 HB2 LEU 28 5.746 -16.791 7.361 116 HB3 LEU 28 HB3 LEU 28 5.459 -18.414 7.943 117 HG LEU 28 HG LEU 28 3.510 -16.127 8.202 118 HD11 LEU 28 HD11 LEU 28 3.593 -18.441 6.285 119 HD12 LEU 28 HD12 LEU 28 3.854 -16.742 5.893 120 HD13 LEU 28 HD13 LEU 28 2.270 -17.286 6.446 121 HD21 LEU 28 HD21 LEU 28 1.915 -17.885 8.751 122 HD22 LEU 28 HD22 LEU 28 3.219 -17.814 9.937 123 HD23 LEU 28 HD23 LEU 28 3.204 -19.087 8.709 124 H ILE 29 H ILE 29 7.788 -15.863 8.427 125 HA ILE 29 HA ILE 29 9.725 -17.817 8.307 126 HB ILE 29 HB ILE 29 9.858 -14.818 8.473 127 HG12 ILE 29 HG12 ILE 29 10.317 -16.773 6.210 128 HG13 ILE 29 HG11 ILE 29 8.887 -15.780 6.454 129 HG21 ILE 29 HG21 ILE 29 12.204 -16.646 8.062 130 HG22 ILE 29 HG22 ILE 29 11.883 -15.574 9.438 131 HG23 ILE 29 HG23 ILE 29 12.201 -14.883 7.839 132 HD11 ILE 29 HD11 ILE 29 10.245 -13.768 6.086 133 HD12 ILE 29 HD12 ILE 29 10.313 -14.882 4.715 134 HD13 ILE 29 HD13 ILE 29 11.661 -14.796 5.840 135 H GLN 30 H GLN 30 9.208 -15.413 10.846 136 HA GLN 30 HA GLN 30 11.353 -16.431 12.442 137 HB2 GLN 30 HB2 GLN 30 9.177 -14.461 13.085 138 HB3 GLN 30 HB3 GLN 30 10.562 -14.801 14.126 139 HG2 GLN 30 HG2 GLN 30 12.049 -14.007 12.333 140 HG3 GLN 30 HG3 GLN 30 10.633 -13.631 11.353 141 HE21 GLN 30 HE21 GLN 30 12.512 -12.739 14.116 142 HE22 GLN 30 HE22 GLN 30 11.771 -11.186 14.342 143 H GLU 31 H GLU 31 7.865 -16.851 12.436 144 HA GLU 31 HA GLU 31 7.684 -18.031 15.023 145 HB2 GLU 31 HB2 GLU 31 5.826 -16.856 13.745 146 HB3 GLU 31 HB3 GLU 31 5.726 -18.293 12.755 147 HG2 GLU 31 HG2 GLU 31 5.179 -19.635 14.709 148 HG3 GLU 31 HG3 GLU 31 5.267 -18.194 15.721 149 H LEU 32 H LEU 32 8.015 -19.319 11.749 150 HA LEU 32 HA LEU 32 7.839 -22.045 12.651 151 HB2 LEU 32 HB2 LEU 32 8.401 -20.740 10.010 152 HB3 LEU 32 HB3 LEU 32 8.702 -22.444 10.239 153 HG LEU 32 HG LEU 32 6.300 -22.789 10.710 154 HD11 LEU 32 HD11 LEU 32 5.973 -19.886 10.005 155 HD12 LEU 32 HD12 LEU 32 5.622 -20.630 11.569 156 HD13 LEU 32 HD13 LEU 32 4.664 -21.053 10.145 157 HD21 LEU 32 HD21 LEU 32 5.537 -22.421 8.397 158 HD22 LEU 32 HD22 LEU 32 7.155 -23.132 8.525 159 HD23 LEU 32 HD23 LEU 32 6.981 -21.427 8.136 160 H ASN 33 H ASN 33 10.143 -19.712 12.868 161 HA ASN 33 HA ASN 33 12.380 -19.591 13.237 162 HB2 ASN 33 HB2 ASN 33 11.700 -21.449 14.911 163 HB3 ASN 33 HB3 ASN 33 12.305 -22.597 13.729 164 HD21 ASN 33 HD21 ASN 33 14.542 -22.681 13.370 165 HD22 ASN 33 HD22 ASN 33 15.687 -22.023 14.501 166 H LEU 34 H LEU 34 11.544 -19.778 10.672 167 HA LEU 34 HA LEU 34 13.502 -21.495 9.341 168 HB2 LEU 34 HB2 LEU 34 10.693 -20.961 8.769 169 HB3 LEU 34 HB3 LEU 34 11.720 -20.572 7.405 170 HG LEU 34 HG LEU 34 12.592 -22.825 7.357 171 HD11 LEU 34 HD11 LEU 34 10.816 -23.342 9.728 172 HD12 LEU 34 HD12 LEU 34 12.586 -23.328 9.693 173 HD13 LEU 34 HD13 LEU 34 11.698 -24.566 8.803 174 HD21 LEU 34 HD21 LEU 34 10.571 -22.365 6.109 175 HD22 LEU 34 HD22 LEU 34 9.585 -22.753 7.520 176 HD23 LEU 34 HD23 LEU 34 10.547 -24.011 6.739 177 H THR 35 H THR 35 14.231 -20.550 7.214 178 HA THR 35 HA THR 35 14.962 -17.795 7.767 179 HB THR 35 HB THR 35 16.932 -18.229 6.343 180 HG1 THR 35 HG1 THR 35 16.751 -20.877 6.052 181 HG21 THR 35 HG21 THR 35 17.096 -18.867 8.707 182 HG22 THR 35 HG22 THR 35 18.012 -20.003 7.703 183 HG23 THR 35 HG23 THR 35 16.416 -20.445 8.320 184 HA PRO 36 HA PRO 36 12.548 -16.325 4.328 185 HB2 PRO 36 HB2 PRO 36 14.907 -14.854 3.290 186 HB3 PRO 36 HB3 PRO 36 13.331 -14.222 3.812 187 HG2 PRO 36 HG2 PRO 36 15.460 -13.839 5.310 188 HG3 PRO 36 HG3 PRO 36 13.890 -14.222 6.040 189 HD2 PRO 36 HD2 PRO 36 16.246 -16.008 5.628 190 HD3 PRO 36 HD3 PRO 36 15.150 -15.878 7.019 191 H GLN 37 H GLN 37 15.504 -17.949 3.668 192 HA GLN 37 HA GLN 37 14.851 -18.225 0.818 193 HB2 GLN 37 HB2 GLN 37 17.335 -19.000 2.353 194 HB3 GLN 37 HB3 GLN 37 17.108 -19.224 0.625 195 HG2 GLN 37 HG2 GLN 37 16.991 -16.838 0.287 196 HG3 GLN 37 HG3 GLN 37 17.076 -16.560 2.025 197 HE21 GLN 37 HE21 GLN 37 18.836 -15.653 -0.123 198 HE22 GLN 37 HE22 GLN 37 20.410 -16.240 0.309 199 H GLN 38 H GLN 38 14.506 -19.872 3.757 200 HA GLN 38 HA GLN 38 14.418 -22.456 2.473 201 HB2 GLN 38 HB2 GLN 38 15.524 -22.134 4.667 202 HB3 GLN 38 HB3 GLN 38 13.985 -21.615 5.332 203 HG2 GLN 38 HG2 GLN 38 13.038 -23.732 4.851 204 HG3 GLN 38 HG3 GLN 38 14.574 -24.292 4.159 205 HE21 GLN 38 HE21 GLN 38 13.132 -25.416 6.419 206 HE22 GLN 38 HE22 GLN 38 14.192 -25.279 7.779 207 H LEU 39 H LEU 39 12.459 -19.980 4.018 208 HA LEU 39 HA LEU 39 10.109 -21.569 3.542 209 HB2 LEU 39 HB2 LEU 39 10.527 -20.157 5.689 210 HB3 LEU 39 HB3 LEU 39 10.130 -18.780 4.693 211 HG LEU 39 HG LEU 39 8.243 -21.094 5.193 212 HD11 LEU 39 HD11 LEU 39 8.779 -19.994 7.286 213 HD12 LEU 39 HD12 LEU 39 7.128 -19.637 6.782 214 HD13 LEU 39 HD13 LEU 39 8.394 -18.426 6.572 215 HD21 LEU 39 HD21 LEU 39 7.767 -18.306 4.178 216 HD22 LEU 39 HD22 LEU 39 6.523 -19.542 4.444 217 HD23 LEU 39 HD23 LEU 39 7.761 -19.772 3.198 218 H HIS 40 H HIS 40 10.423 -21.555 1.354 219 HA HIS 40 HA HIS 40 10.015 -19.246 -0.292 220 HB2 HIS 40 HB2 HIS 40 10.963 -21.387 -1.165 221 HB3 HIS 40 HB3 HIS 40 9.467 -22.196 -0.775 222 HD1 HIS 40 HD1 HIS 40 8.083 -22.620 -2.806 223 HD2 HIS 40 HD2 HIS 40 10.325 -19.135 -3.140 224 HE1 HIS 40 HE1 HIS 40 7.547 -21.649 -5.073 225 H GLU 41 H GLU 41 7.948 -18.569 -1.185 226 HA GLU 41 HA GLU 41 5.872 -18.626 0.594 227 HB2 GLU 41 HB2 GLU 41 5.742 -18.046 -2.364 228 HB3 GLU 41 HB3 GLU 41 4.415 -17.755 -1.248 229 HG2 GLU 41 HG2 GLU 41 6.076 -16.319 0.067 230 HG3 GLU 41 HG3 GLU 41 7.084 -16.394 -1.376 231 H GLU 42 H GLU 42 6.321 -20.776 -2.160 232 HA GLU 42 HA GLU 42 3.838 -22.053 -1.465 233 HB2 GLU 42 HB2 GLU 42 5.683 -22.572 -3.778 234 HB3 GLU 42 HB3 GLU 42 4.238 -23.527 -3.462 235 HG2 GLU 42 HG2 GLU 42 4.386 -20.590 -4.093 236 HG3 GLU 42 HG3 GLU 42 3.662 -21.869 -5.072 237 H SER 43 H SER 43 6.162 -22.276 0.323 238 HA SER 43 HA SER 43 6.492 -25.153 0.423 239 HB2 SER 43 HB2 SER 43 7.173 -23.090 2.536 240 HB3 SER 43 HB3 SER 43 7.825 -24.723 2.387 241 HG SER 43 HG SER 43 8.388 -22.413 1.035 242 H ASN 44 H ASN 44 5.102 -26.443 1.524 243 HA ASN 44 HA ASN 44 2.620 -25.546 2.532 244 HB2 ASN 44 HB2 ASN 44 3.206 -28.017 1.861 245 HB3 ASN 44 HB3 ASN 44 4.051 -28.055 3.352 246 HD21 ASN 44 HD21 ASN 44 1.616 -29.505 2.347 247 HD22 ASN 44 HD22 ASN 44 0.465 -29.325 3.622 248 H LEU 45 H LEU 45 2.354 -24.327 4.260 249 HA LEU 45 HA LEU 45 4.419 -23.831 6.133 250 HB2 LEU 45 HB2 LEU 45 1.513 -23.121 6.323 251 HB3 LEU 45 HB3 LEU 45 2.799 -22.457 7.312 252 HG LEU 45 HG LEU 45 2.494 -22.138 4.352 253 HD11 LEU 45 HD11 LEU 45 2.158 -20.210 6.639 254 HD12 LEU 45 HD12 LEU 45 0.858 -20.862 5.636 255 HD13 LEU 45 HD13 LEU 45 2.060 -19.772 4.933 256 HD21 LEU 45 HD21 LEU 45 4.543 -20.970 6.241 257 HD22 LEU 45 HD22 LEU 45 4.377 -20.552 4.535 258 HD23 LEU 45 HD23 LEU 45 4.852 -22.184 5.005 259 H ILE 46 H ILE 46 1.560 -25.796 6.283 260 HA ILE 46 HA ILE 46 1.652 -26.334 9.078 261 HB ILE 46 HB ILE 46 0.469 -28.055 6.865 262 HG12 ILE 46 HG12 ILE 46 -0.809 -25.897 8.569 263 HG13 ILE 46 HG11 ILE 46 -0.426 -25.778 6.855 264 HG21 ILE 46 HG21 ILE 46 0.747 -29.299 8.957 265 HG22 ILE 46 HG22 ILE 46 -0.961 -28.998 8.637 266 HG23 ILE 46 HG23 ILE 46 -0.107 -28.029 9.837 267 HD11 ILE 46 HD11 ILE 46 -2.798 -26.182 7.209 268 HD12 ILE 46 HD12 ILE 46 -2.427 -27.660 8.097 269 HD13 ILE 46 HD13 ILE 46 -2.051 -27.546 6.378 270 H GLN 47 H GLN 47 2.939 -27.848 6.270 271 HA GLN 47 HA GLN 47 4.216 -30.014 7.638 272 HB2 GLN 47 HB2 GLN 47 4.002 -29.001 4.924 273 HB3 GLN 47 HB3 GLN 47 5.308 -30.119 5.108 274 HG2 GLN 47 HG2 GLN 47 2.347 -30.514 5.526 275 HG3 GLN 47 HG3 GLN 47 3.373 -31.268 4.310 276 HE21 GLN 47 HE21 GLN 47 5.506 -31.836 6.315 277 HE22 GLN 47 HE22 GLN 47 4.880 -33.161 7.232 278 H ALA 48 H ALA 48 4.982 -26.793 7.276 279 HA ALA 48 HA ALA 48 7.862 -27.241 7.390 280 HB1 ALA 48 HB1 ALA 48 6.327 -24.641 7.132 281 HB2 ALA 48 HB2 ALA 48 7.073 -25.532 5.814 282 HB3 ALA 48 HB3 ALA 48 8.080 -24.817 7.071 283 H GLY 49 H GLY 49 5.232 -25.776 9.277 284 HA2 GLY 49 HA2 GLY 49 6.030 -26.607 11.747 285 HA3 GLY 49 HA3 GLY 49 7.002 -25.169 11.475 286 H LEU 50 H LEU 50 3.615 -25.977 10.755 287 HA LEU 50 HA LEU 50 2.573 -23.803 12.498 288 HB2 LEU 50 HB2 LEU 50 2.915 -23.030 10.060 289 HB3 LEU 50 HB3 LEU 50 1.786 -24.283 9.613 290 HG LEU 50 HG LEU 50 0.106 -23.124 11.125 291 HD11 LEU 50 HD11 LEU 50 2.174 -20.948 10.979 292 HD12 LEU 50 HD12 LEU 50 1.638 -21.792 12.432 293 HD13 LEU 50 HD13 LEU 50 0.522 -20.748 11.549 294 HD21 LEU 50 HD21 LEU 50 0.021 -22.984 8.690 295 HD22 LEU 50 HD22 LEU 50 1.150 -21.629 8.722 296 HD23 LEU 50 HD23 LEU 50 -0.455 -21.457 9.431 297 H ASP 51 H ASP 51 0.871 -24.566 13.648 298 HA ASP 51 HA ASP 51 0.018 -27.203 12.930 299 HB2 ASP 51 HB2 ASP 51 -1.141 -27.080 15.149 300 HB3 ASP 51 HB3 ASP 51 0.601 -26.888 15.276 301 HA 4HH 52 HA 4HH 52 -3.921 -26.412 10.978 302 H 4HH 52 H 4HH 52 -1.998 -27.576 12.328 303 HB3 4HH 52 HB3 4HH 52 -4.559 -27.738 13.596 304 HB2 4HH 52 HB2 4HH 52 -4.205 -28.567 12.074 305 HJ3 4HH 52 HJ3 4HH 52 -8.553 -27.722 14.249 306 HJ2 4HH 52 HJ2 4HH 52 -9.522 -28.993 13.527 307 HL13 4HH 52 HL13 4HH 52 -9.924 -26.998 10.989 308 HL12 4HH 52 HL12 4HH 52 -11.013 -28.234 11.548 309 HL11 4HH 52 HL11 4HH 52 -11.503 -26.500 11.447 310 HL21 4HH 52 HL21 4HH 52 -8.847 -25.532 12.272 311 HL23 4HH 52 HL23 4HH 52 -10.255 -24.799 12.947 312 HL22 4HH 52 HL22 4HH 52 -8.932 -25.439 14.002 313 HL3 4HH 52 HL3 4HH 52 -12.159 -27.716 13.752 314 HM 4HH 52 HM 4HH 52 -10.481 -26.903 15.861 315 HN 4HH 52 HN 4HH 52 -13.873 -25.912 15.224 316 HO2 4HH 52 HO2 4HH 52 -14.077 -23.845 13.644 317 HO3 4HH 52 HO3 4HH 52 -14.925 -25.370 13.202 318 HP3 4HH 52 HP3 4HH 52 -12.281 -24.558 12.159 319 HP2 4HH 52 HP2 4HH 52 -13.263 -26.009 11.752 320 HS2 4HH 52 HS2 4HH 52 -15.215 -21.791 11.262 321 HS3 4HH 52 HS3 4HH 52 -13.788 -21.652 12.344 322 HT3 4HH 52 HT3 4HH 52 -14.024 -20.601 9.527 323 HT2 4HH 52 HT2 4HH 52 -12.663 -20.360 10.631 324 HR 4HH 52 HR 4HH 52 -12.825 -22.814 10.090 325 HU 4HH 52 HU 4HH 52 -14.187 -18.847 12.456 326 H ILE 53 H ILE 53 -4.193 -26.198 14.386 327 HA ILE 53 HA ILE 53 -6.052 -24.201 14.674 328 HB ILE 53 HB ILE 53 -3.849 -25.077 16.494 329 HG12 ILE 53 HG12 ILE 53 -5.335 -26.895 15.886 330 HG13 ILE 53 HG11 ILE 53 -5.634 -26.458 17.563 331 HG21 ILE 53 HG21 ILE 53 -5.258 -24.169 18.373 332 HG22 ILE 53 HG22 ILE 53 -6.382 -23.515 17.182 333 HG23 ILE 53 HG23 ILE 53 -4.733 -22.895 17.270 334 HD11 ILE 53 HD11 ILE 53 -7.366 -25.700 15.194 335 HD12 ILE 53 HD12 ILE 53 -7.665 -25.205 16.846 336 HD13 ILE 53 HD13 ILE 53 -7.747 -26.906 16.414 337 H ARG 54 H ARG 54 -2.440 -23.734 14.410 338 HA ARG 54 HA ARG 54 -2.548 -20.952 15.035 339 HB2 ARG 54 HB2 ARG 54 -0.550 -22.817 14.245 340 HB3 ARG 54 HB3 ARG 54 -0.406 -21.282 13.380 341 HG2 ARG 54 HG2 ARG 54 -0.667 -20.157 15.569 342 HG3 ARG 54 HG3 ARG 54 -0.485 -21.752 16.309 343 HD2 ARG 54 HD2 ARG 54 1.335 -20.488 14.407 344 HD3 ARG 54 HD3 ARG 54 1.567 -20.449 16.174 345 HE ARG 54 HE ARG 54 1.351 -23.066 15.691 346 HH11 ARG 54 HH11 ARG 54 3.329 -20.663 13.960 347 HH12 ARG 54 HH12 ARG 54 4.578 -21.759 13.604 348 HH21 ARG 54 HH21 ARG 54 3.042 -24.532 15.216 349 HH22 ARG 54 HH22 ARG 54 4.404 -24.007 14.289 350 H LEU 55 H LEU 55 -2.943 -22.796 12.161 351 HA LEU 55 HA LEU 55 -2.951 -20.540 10.433 352 HB2 LEU 55 HB2 LEU 55 -2.475 -22.918 9.741 353 HB3 LEU 55 HB3 LEU 55 -4.161 -23.250 10.019 354 HG LEU 55 HG LEU 55 -3.393 -21.131 8.047 355 HD11 LEU 55 HD11 LEU 55 -2.138 -22.951 7.453 356 HD12 LEU 55 HD12 LEU 55 -3.597 -22.918 6.386 357 HD13 LEU 55 HD13 LEU 55 -3.479 -24.079 7.736 358 HD21 LEU 55 HD21 LEU 55 -5.723 -21.400 8.752 359 HD22 LEU 55 HD22 LEU 55 -5.701 -23.066 8.124 360 HD23 LEU 55 HD23 LEU 55 -5.450 -21.685 7.040 361 H MET 56 H MET 56 -5.450 -22.376 12.142 362 HA MET 56 HA MET 56 -7.591 -20.798 11.159 363 HB2 MET 56 HB2 MET 56 -8.078 -22.805 12.455 364 HB3 MET 56 HB3 MET 56 -7.332 -22.068 13.872 365 HG2 MET 56 HG2 MET 56 -9.115 -20.160 13.448 366 HG3 MET 56 HG3 MET 56 -9.967 -21.428 12.581 367 HE1 MET 56 HE1 MET 56 -7.721 -22.193 15.698 368 HE2 MET 56 HE2 MET 56 -8.725 -21.436 16.956 369 HE3 MET 56 HE3 MET 56 -8.069 -20.476 15.592 370 H ARG 57 H ARG 57 -5.383 -20.402 13.768 371 HA ARG 57 HA ARG 57 -6.482 -18.156 14.774 372 HB2 ARG 57 HB2 ARG 57 -3.826 -19.326 14.891 373 HB3 ARG 57 HB3 ARG 57 -4.052 -17.716 15.601 374 HG2 ARG 57 HG2 ARG 57 -5.889 -18.557 16.948 375 HG3 ARG 57 HG3 ARG 57 -5.727 -20.145 16.204 376 HD2 ARG 57 HD2 ARG 57 -3.535 -18.795 17.568 377 HD3 ARG 57 HD3 ARG 57 -4.746 -19.718 18.493 378 HE ARG 57 HE ARG 57 -3.702 -21.285 16.368 379 HH11 ARG 57 HH11 ARG 57 -2.680 -20.143 19.571 380 HH12 ARG 57 HH12 ARG 57 -1.646 -21.460 19.884 381 HH21 ARG 57 HH21 ARG 57 -2.196 -23.226 16.845 382 HH22 ARG 57 HH22 ARG 57 -1.387 -23.221 18.269 383 H TRP 58 H TRP 58 -4.408 -18.697 11.915 384 HA TRP 58 HA TRP 58 -3.875 -15.956 11.377 385 HB2 TRP 58 HB2 TRP 58 -3.612 -18.469 9.735 386 HB3 TRP 58 HB3 TRP 58 -3.395 -16.882 9.013 387 HD1 TRP 58 HD1 TRP 58 -1.369 -19.545 10.308 388 HE1 TRP 58 HE1 TRP 58 0.947 -18.662 11.121 389 HE3 TRP 58 HE3 TRP 58 -2.406 -14.546 10.521 390 HZ2 TRP 58 HZ2 TRP 58 2.156 -16.152 11.714 391 HZ3 TRP 58 HZ3 TRP 58 -0.641 -12.991 11.199 392 HH2 TRP 58 HH2 TRP 58 1.577 -13.783 11.777 393 H LEU 59 H LEU 59 -6.317 -18.275 10.412 394 HA LEU 59 HA LEU 59 -7.657 -16.644 8.517 395 HB2 LEU 59 HB2 LEU 59 -8.020 -19.151 8.930 396 HB3 LEU 59 HB3 LEU 59 -8.964 -18.708 10.326 397 HG LEU 59 HG LEU 59 -10.248 -19.364 8.258 398 HD11 LEU 59 HD11 LEU 59 -11.965 -17.653 8.505 399 HD12 LEU 59 HD12 LEU 59 -10.829 -16.663 9.427 400 HD13 LEU 59 HD13 LEU 59 -11.357 -18.221 10.060 401 HD21 LEU 59 HD21 LEU 59 -8.873 -18.202 6.615 402 HD22 LEU 59 HD22 LEU 59 -9.373 -16.646 7.287 403 HD23 LEU 59 HD23 LEU 59 -10.558 -17.698 6.520 404 H HIS 60 H HIS 60 -7.907 -16.982 11.935 405 HA HIS 60 HA HIS 60 -9.914 -15.162 12.555 406 HB2 HIS 60 HB2 HIS 60 -8.869 -16.663 14.194 407 HB3 HIS 60 HB3 HIS 60 -7.339 -15.821 14.013 408 HD1 HIS 60 HD1 HIS 60 -6.912 -14.152 15.825 409 HD2 HIS 60 HD2 HIS 60 -10.916 -14.878 15.177 410 HE1 HIS 60 HE1 HIS 60 -8.135 -12.789 17.569 411 H TRP 61 H TRP 61 -6.456 -14.712 12.035 412 HA TRP 61 HA TRP 61 -6.385 -11.946 12.471 413 HB2 TRP 61 HB2 TRP 61 -4.388 -13.377 12.596 414 HB3 TRP 61 HB3 TRP 61 -4.518 -13.715 10.879 415 HD1 TRP 61 HD1 TRP 61 -3.644 -10.820 13.282 416 HE1 TRP 61 HE1 TRP 61 -2.107 -9.163 11.999 417 HE3 TRP 61 HE3 TRP 61 -3.802 -12.936 8.632 418 HZ2 TRP 61 HZ2 TRP 61 -1.112 -8.819 9.407 419 HZ3 TRP 61 HZ3 TRP 61 -2.521 -11.883 6.817 420 HH2 TRP 61 HH2 TRP 61 -1.209 -9.873 7.201 421 H PHE 62 H PHE 62 -6.640 -13.861 9.480 422 HA PHE 62 HA PHE 62 -6.677 -11.748 7.649 423 HB2 PHE 62 HB2 PHE 62 -7.954 -14.482 7.398 424 HB3 PHE 62 HB3 PHE 62 -7.896 -13.315 6.096 425 HD1 PHE 62 HD2 PHE 62 -5.372 -12.305 5.854 426 HD2 PHE 62 HD1 PHE 62 -6.431 -16.174 7.221 427 HE1 PHE 62 HE2 PHE 62 -3.156 -13.169 5.187 428 HE2 PHE 62 HE1 PHE 62 -4.244 -17.025 6.573 429 HZ PHE 62 HZ PHE 62 -2.609 -15.549 5.556 430 H ARG 63 H ARG 63 -9.477 -13.399 9.119 431 HA ARG 63 HA ARG 63 -11.356 -11.754 7.783 432 HB2 ARG 63 HB2 ARG 63 -11.636 -13.458 10.215 433 HB3 ARG 63 HB3 ARG 63 -12.970 -12.543 9.514 434 HG2 ARG 63 HG2 ARG 63 -12.316 -13.698 7.312 435 HG3 ARG 63 HG3 ARG 63 -11.453 -14.834 8.351 436 HD2 ARG 63 HD2 ARG 63 -13.493 -15.255 9.586 437 HD3 ARG 63 HD3 ARG 63 -14.270 -14.022 8.565 438 HE ARG 63 HE ARG 63 -13.227 -15.904 6.838 439 HH11 ARG 63 HH11 ARG 63 -15.654 -16.023 9.395 440 HH12 ARG 63 HH12 ARG 63 -16.666 -17.147 8.620 441 HH21 ARG 63 HH21 ARG 63 -14.565 -17.413 5.729 442 HH22 ARG 63 HH22 ARG 63 -16.025 -17.970 6.403 443 H LYS 64 H LYS 64 -9.588 -11.360 10.669 444 HA LYS 64 HA LYS 64 -11.034 -9.139 11.749 445 HB2 LYS 64 HB2 LYS 64 -9.542 -10.689 12.979 446 HB3 LYS 64 HB3 LYS 64 -8.182 -10.019 12.110 447 HG2 LYS 64 HG2 LYS 64 -8.818 -7.792 13.149 448 HG3 LYS 64 HG3 LYS 64 -9.881 -8.726 14.211 449 HD2 LYS 64 HD2 LYS 64 -7.939 -8.667 15.453 450 HD3 LYS 64 HD3 LYS 64 -7.783 -10.194 14.588 451 HE2 LYS 64 HE2 LYS 64 -6.428 -7.559 13.896 452 HE3 LYS 64 HE3 LYS 64 -5.649 -9.011 14.499 453 HZ1 LYS 64 HZ1 LYS 64 -6.898 -8.646 11.812 454 HZ2 LYS 64 HZ2 LYS 64 -6.302 -10.103 12.317 455 HZ3 LYS 64 HZ3 LYS 64 -5.277 -8.793 12.102 456 H ASN 65 H ASN 65 -8.770 -9.579 9.193 457 HA ASN 65 HA ASN 65 -8.022 -6.753 9.040 458 HB2 ASN 65 HB2 ASN 65 -7.046 -9.248 7.646 459 HB3 ASN 65 HB3 ASN 65 -6.704 -7.665 6.965 460 HD21 ASN 65 HD21 ASN 65 -4.456 -8.116 7.205 461 HD22 ASN 65 HD22 ASN 65 -3.700 -7.993 8.723 462 H GLY 66 H GLY 66 -10.577 -8.520 8.258 463 HA2 GLY 66 HA2 GLY 66 -12.388 -7.831 6.976 464 HA3 GLY 66 HA3 GLY 66 -11.330 -6.715 6.125 465 H TYR 67 H TYR 67 -10.042 -9.855 6.302 466 HA TYR 67 HA TYR 67 -10.549 -10.144 3.500 467 HB2 TYR 67 HB2 TYR 67 -8.748 -11.544 5.400 468 HB3 TYR 67 HB3 TYR 67 -9.100 -12.258 3.825 469 HD1 TYR 67 HD2 TYR 67 -8.495 -11.105 1.800 470 HD2 TYR 67 HD1 TYR 67 -7.361 -9.616 5.595 471 HE1 TYR 67 HE2 TYR 67 -6.866 -9.689 0.721 472 HE2 TYR 67 HE1 TYR 67 -5.699 -8.155 4.527 473 HH TYR 67 HH TYR 67 -4.439 -8.030 2.518 474 H ARG 68 H ARG 68 -11.948 -11.261 2.573 475 HA ARG 68 HA ARG 68 -13.648 -12.975 4.137 476 HB2 ARG 68 HB2 ARG 68 -13.852 -11.983 1.295 477 HB3 ARG 68 HB3 ARG 68 -15.058 -13.019 2.008 478 HG2 ARG 68 HG2 ARG 68 -16.122 -11.215 2.718 479 HG3 ARG 68 HG3 ARG 68 -14.753 -10.849 3.767 480 HD2 ARG 68 HD2 ARG 68 -14.887 -10.119 0.889 481 HD3 ARG 68 HD3 ARG 68 -15.454 -9.021 2.152 482 HE ARG 68 HE ARG 68 -13.082 -9.126 3.011 483 HH11 ARG 68 HH11 ARG 68 -13.769 -9.601 -0.433 484 HH12 ARG 68 HH12 ARG 68 -12.267 -9.043 -0.970 485 HH21 ARG 68 HH21 ARG 68 -11.001 -8.338 2.288 486 HH22 ARG 68 HH22 ARG 68 -10.597 -8.332 0.634 487 H LEU 69 H LEU 69 -12.118 -14.518 4.514 488 HA LEU 69 HA LEU 69 -11.629 -16.412 2.310 489 HB2 LEU 69 HB2 LEU 69 -9.868 -15.827 4.698 490 HB3 LEU 69 HB3 LEU 69 -9.569 -17.050 3.488 491 HG LEU 69 HG LEU 69 -9.541 -14.073 3.012 492 HD11 LEU 69 HD11 LEU 69 -7.130 -14.373 2.750 493 HD12 LEU 69 HD12 LEU 69 -7.291 -16.078 3.166 494 HD13 LEU 69 HD13 LEU 69 -7.651 -14.839 4.369 495 HD21 LEU 69 HD21 LEU 69 -8.882 -16.392 1.232 496 HD22 LEU 69 HD22 LEU 69 -8.583 -14.696 0.846 497 HD23 LEU 69 HD23 LEU 69 -10.238 -15.279 1.045 498 H THR 70 H THR 70 -11.854 -18.578 2.948 499 HA THR 70 HA THR 70 -13.035 -18.920 5.598 500 HB THR 70 HB THR 70 -13.271 -20.774 3.246 501 HG1 THR 70 HG1 THR 70 -14.371 -18.989 2.607 502 HG21 THR 70 HG21 THR 70 -13.752 -21.788 5.428 503 HG22 THR 70 HG22 THR 70 -15.231 -21.650 4.477 504 HG23 THR 70 HG23 THR 70 -14.911 -20.505 5.778 505 H LEU 71 H LEU 71 -12.336 -20.567 6.807 506 HA LEU 71 HA LEU 71 -9.563 -20.998 6.966 507 HB2 LEU 71 HB2 LEU 71 -11.151 -21.086 8.864 508 HB3 LEU 71 HB3 LEU 71 -11.772 -22.591 8.236 509 HG LEU 71 HG LEU 71 -9.567 -23.628 8.582 510 HD11 LEU 71 HD11 LEU 71 -8.135 -21.707 8.441 511 HD12 LEU 71 HD12 LEU 71 -7.984 -22.448 10.050 512 HD13 LEU 71 HD13 LEU 71 -8.953 -20.998 9.835 513 HD21 LEU 71 HD21 LEU 71 -11.245 -23.900 10.259 514 HD22 LEU 71 HD22 LEU 71 -10.848 -22.339 10.964 515 HD23 LEU 71 HD23 LEU 71 -9.681 -23.663 11.043 516 H ARG 72 H ARG 72 -12.080 -22.846 5.540 517 HA ARG 72 HA ARG 72 -10.649 -25.300 5.398 518 HB2 ARG 72 HB2 ARG 72 -13.174 -24.447 4.035 519 HB3 ARG 72 HB3 ARG 72 -12.591 -26.108 4.153 520 HG2 ARG 72 HG2 ARG 72 -12.749 -26.024 6.586 521 HG3 ARG 72 HG3 ARG 72 -13.256 -24.345 6.514 522 HD2 ARG 72 HD2 ARG 72 -15.287 -25.100 5.264 523 HD3 ARG 72 HD3 ARG 72 -14.781 -26.768 5.566 524 HE ARG 72 HE ARG 72 -14.762 -25.444 8.010 525 HH11 ARG 72 HH11 ARG 72 -17.208 -26.480 5.675 526 HH12 ARG 72 HH12 ARG 72 -18.467 -26.553 6.816 527 HH21 ARG 72 HH21 ARG 72 -16.410 -25.496 9.539 528 HH22 ARG 72 HH22 ARG 72 -18.000 -25.971 9.139 529 H GLU 73 H GLU 73 -10.665 -22.470 3.486 530 HA GLU 73 HA GLU 73 -9.908 -23.714 1.032 531 HB2 GLU 73 HB2 GLU 73 -9.526 -20.855 1.986 532 HB3 GLU 73 HB3 GLU 73 -9.322 -21.410 0.331 533 HG2 GLU 73 HG2 GLU 73 -11.666 -21.968 0.213 534 HG3 GLU 73 HG3 GLU 73 -11.892 -21.446 1.890 535 H LEU 74 H LEU 74 -8.264 -21.804 3.546 536 HA LEU 74 HA LEU 74 -5.714 -22.068 2.684 537 HB2 LEU 74 HB2 LEU 74 -6.842 -21.633 5.424 538 HB3 LEU 74 HB3 LEU 74 -5.119 -21.680 5.110 539 HG LEU 74 HG LEU 74 -5.390 -19.766 3.580 540 HD11 LEU 74 HD11 LEU 74 -7.603 -19.992 2.945 541 HD12 LEU 74 HD12 LEU 74 -7.342 -18.408 3.721 542 HD13 LEU 74 HD13 LEU 74 -8.154 -19.728 4.614 543 HD21 LEU 74 HD21 LEU 74 -5.698 -18.085 5.307 544 HD22 LEU 74 HD22 LEU 74 -4.657 -19.406 5.833 545 HD23 LEU 74 HD23 LEU 74 -6.333 -19.321 6.395 546 H TYR 75 H TYR 75 -7.639 -24.311 4.640 547 HA TYR 75 HA TYR 75 -5.367 -25.886 5.370 548 HB2 TYR 75 HB2 TYR 75 -8.319 -26.433 5.640 549 HB3 TYR 75 HB3 TYR 75 -7.142 -27.708 5.946 550 HD1 TYR 75 HD1 TYR 75 -5.077 -25.994 7.232 551 HD2 TYR 75 HD2 TYR 75 -9.260 -26.225 7.616 552 HE1 TYR 75 HE1 TYR 75 -4.885 -25.201 9.566 553 HE2 TYR 75 HE2 TYR 75 -9.115 -25.433 9.935 554 HH TYR 75 HH TYR 75 -7.301 -25.516 11.722 555 H ALA 76 H ALA 76 -7.290 -25.744 2.585 556 HA ALA 76 HA ALA 76 -6.525 -28.365 1.855 557 HB1 ALA 76 HB1 ALA 76 -7.921 -26.251 0.205 558 HB2 ALA 76 HB2 ALA 76 -8.699 -27.535 1.127 559 HB3 ALA 76 HB3 ALA 76 -7.710 -27.935 -0.280 560 H ALA 77 H ALA 77 -5.601 -25.075 1.213 561 HA ALA 77 HA ALA 77 -3.127 -26.022 -0.011 562 HB1 ALA 77 HB1 ALA 77 -4.575 -25.230 -1.854 563 HB2 ALA 77 HB2 ALA 77 -3.154 -24.207 -1.631 564 HB3 ALA 77 HB3 ALA 77 -4.725 -23.664 -1.043 565 HA PRO 78 HA PRO 78 -2.135 -22.877 3.082 566 HB2 PRO 78 HB2 PRO 78 -0.420 -24.455 4.555 567 HB3 PRO 78 HB3 PRO 78 -2.162 -24.337 4.864 568 HG2 PRO 78 HG2 PRO 78 -0.726 -26.620 3.931 569 HG3 PRO 78 HG3 PRO 78 -2.463 -26.465 4.234 570 HD2 PRO 78 HD2 PRO 78 -1.005 -26.316 1.672 571 HD3 PRO 78 HD3 PRO 78 -2.711 -26.704 1.991 572 H THR 79 H THR 79 -1.038 -21.905 1.263 573 HA THR 79 HA THR 79 1.826 -22.030 1.500 574 HB THR 79 HB THR 79 1.983 -21.924 -1.028 575 HG1 THR 79 HG1 THR 79 0.392 -22.229 -2.247 576 HG21 THR 79 HG21 THR 79 2.552 -24.024 0.123 577 HG22 THR 79 HG22 THR 79 1.789 -24.336 -1.439 578 HG23 THR 79 HG23 THR 79 0.856 -24.512 0.045 579 H LEU 80 H LEU 80 2.741 -20.010 0.848 580 HA LEU 80 HA LEU 80 1.018 -17.817 1.461 581 HB2 LEU 80 HB2 LEU 80 3.861 -18.222 1.215 582 HB3 LEU 80 HB3 LEU 80 3.330 -16.676 0.573 583 HG LEU 80 HG LEU 80 2.638 -17.647 3.362 584 HD11 LEU 80 HD11 LEU 80 4.756 -15.728 2.425 585 HD12 LEU 80 HD12 LEU 80 5.033 -17.275 3.254 586 HD13 LEU 80 HD13 LEU 80 4.221 -15.940 4.084 587 HD21 LEU 80 HD21 LEU 80 2.361 -15.004 1.975 588 HD22 LEU 80 HD22 LEU 80 2.079 -15.306 3.681 589 HD23 LEU 80 HD23 LEU 80 1.045 -16.072 2.476 590 H ALA 81 H ALA 81 2.373 -18.865 -1.671 591 HA ALA 81 HA ALA 81 1.567 -16.380 -2.810 592 HB1 ALA 81 HB1 ALA 81 2.297 -18.935 -4.246 593 HB2 ALA 81 HB2 ALA 81 3.431 -17.667 -3.783 594 HB3 ALA 81 HB3 ALA 81 2.169 -17.332 -4.969 595 H ALA 82 H ALA 82 0.112 -19.533 -2.483 596 HA ALA 82 HA ALA 82 -2.134 -18.926 -4.120 597 HB1 ALA 82 HB1 ALA 82 -2.002 -20.850 -1.801 598 HB2 ALA 82 HB2 ALA 82 -1.726 -21.247 -3.513 599 HB3 ALA 82 HB3 ALA 82 -3.316 -20.689 -2.959 600 H TRP 83 H TRP 83 -1.444 -18.488 -0.664 601 HA TRP 83 HA TRP 83 -4.010 -17.529 -0.038 602 HB2 TRP 83 HB2 TRP 83 -1.366 -17.102 1.310 603 HB3 TRP 83 HB3 TRP 83 -2.885 -16.480 1.938 604 HD1 TRP 83 HD1 TRP 83 -3.649 -19.777 0.529 605 HE1 TRP 83 HE1 TRP 83 -3.636 -21.558 2.315 606 HE3 TRP 83 HE3 TRP 83 -1.453 -17.086 4.126 607 HZ2 TRP 83 HZ2 TRP 83 -2.837 -21.778 5.012 608 HZ3 TRP 83 HZ3 TRP 83 -1.109 -18.131 6.393 609 HH2 TRP 83 HH2 TRP 83 -1.836 -20.463 6.782 610 H ASN 84 H ASN 84 -1.049 -15.935 -0.947 611 HA ASN 84 HA ASN 84 -1.872 -13.300 -0.935 612 HB2 ASN 84 HB2 ASN 84 -0.286 -14.420 -3.290 613 HB3 ASN 84 HB3 ASN 84 -0.345 -12.777 -2.702 614 HD21 ASN 84 HD21 ASN 84 1.922 -14.497 -3.130 615 HD22 ASN 84 HD22 ASN 84 2.704 -14.633 -1.605 616 H GLN 85 H GLN 85 -2.444 -15.712 -3.447 617 HA GLN 85 HA GLN 85 -3.902 -14.059 -5.200 618 HB2 GLN 85 HB2 GLN 85 -2.915 -16.364 -5.692 619 HB3 GLN 85 HB3 GLN 85 -4.246 -17.067 -4.815 620 HG2 GLN 85 HG2 GLN 85 -4.598 -15.325 -7.259 621 HG3 GLN 85 HG3 GLN 85 -4.438 -17.070 -7.328 622 HE21 GLN 85 HE21 GLN 85 -6.590 -15.261 -8.127 623 HE22 GLN 85 HE22 GLN 85 -8.009 -15.836 -7.314 624 H LEU 86 H LEU 86 -4.928 -16.240 -2.619 625 HA LEU 86 HA LEU 86 -7.690 -15.881 -2.738 626 HB2 LEU 86 HB2 LEU 86 -6.034 -16.373 -0.267 627 HB3 LEU 86 HB3 LEU 86 -7.744 -16.682 -0.451 628 HG LEU 86 HG LEU 86 -5.534 -18.167 -1.898 629 HD11 LEU 86 HD11 LEU 86 -7.376 -19.069 0.268 630 HD12 LEU 86 HD12 LEU 86 -5.693 -18.581 0.517 631 HD13 LEU 86 HD13 LEU 86 -6.065 -20.005 -0.479 632 HD21 LEU 86 HD21 LEU 86 -8.494 -18.686 -1.803 633 HD22 LEU 86 HD22 LEU 86 -7.267 -19.736 -2.486 634 HD23 LEU 86 HD23 LEU 86 -7.577 -18.155 -3.234 635 H MET 87 H MET 87 -5.187 -13.827 -1.399 636 HA MET 87 HA MET 87 -6.957 -12.367 0.375 637 HB2 MET 87 HB2 MET 87 -4.039 -12.341 -0.218 638 HB3 MET 87 HB3 MET 87 -4.681 -11.058 0.756 639 HG2 MET 87 HG2 MET 87 -5.517 -12.840 2.333 640 HG3 MET 87 HG3 MET 87 -4.713 -14.033 1.316 641 HE1 MET 87 HE1 MET 87 -2.619 -10.833 3.888 642 HE2 MET 87 HE2 MET 87 -4.353 -11.146 3.885 643 HE3 MET 87 HE3 MET 87 -3.589 -10.400 2.482 644 H LEU 88 H LEU 88 -4.743 -11.723 -2.198 645 HA LEU 88 HA LEU 88 -5.304 -9.023 -2.399 646 HB2 LEU 88 HB2 LEU 88 -3.164 -9.739 -2.714 647 HB3 LEU 88 HB3 LEU 88 -3.648 -11.105 -3.687 648 HG LEU 88 HG LEU 88 -4.416 -9.658 -5.242 649 HD11 LEU 88 HD11 LEU 88 -3.279 -7.253 -5.309 650 HD12 LEU 88 HD12 LEU 88 -2.738 -7.586 -3.672 651 HD13 LEU 88 HD13 LEU 88 -4.461 -7.472 -4.021 652 HD21 LEU 88 HD21 LEU 88 -2.136 -9.233 -6.292 653 HD22 LEU 88 HD22 LEU 88 -2.430 -10.849 -5.645 654 HD23 LEU 88 HD23 LEU 88 -1.458 -9.694 -4.730 655 H SER 89 H SER 89 -6.051 -11.865 -4.515 656 HA SER 89 HA SER 89 -7.151 -10.140 -6.452 657 HB2 SER 89 HB2 SER 89 -7.320 -13.146 -6.221 658 HB3 SER 89 HB3 SER 89 -7.716 -12.202 -7.660 659 HG SER 89 HG SER 89 -5.447 -11.343 -7.274 660 H ARG 90 H ARG 90 -8.388 -10.737 -3.581 661 HA ARG 90 HA ARG 90 -11.177 -10.711 -4.529 662 HB2 ARG 90 HB2 ARG 90 -10.128 -11.602 -1.834 663 HB3 ARG 90 HB3 ARG 90 -11.824 -11.493 -2.269 664 HG2 ARG 90 HG2 ARG 90 -11.501 -13.226 -3.957 665 HG3 ARG 90 HG3 ARG 90 -9.792 -13.323 -3.523 666 HD2 ARG 90 HD2 ARG 90 -10.448 -13.901 -1.228 667 HD3 ARG 90 HD3 ARG 90 -12.142 -13.942 -1.728 668 HE ARG 90 HE ARG 90 -10.598 -15.557 -3.418 669 HH11 ARG 90 HH11 ARG 90 -11.923 -15.699 -0.065 670 HH12 ARG 90 HH12 ARG 90 -11.848 -17.409 -0.038 671 HH21 ARG 90 HH21 ARG 90 -10.575 -17.932 -3.244 672 HH22 ARG 90 HH22 ARG 90 -11.143 -18.613 -1.779 673 H SER 91 H SER 91 -8.795 -8.719 -3.681 674 HA SER 91 HA SER 91 -10.571 -6.910 -2.243 675 HB2 SER 91 HB2 SER 91 -7.645 -7.430 -1.599 676 HB3 SER 91 HB3 SER 91 -8.720 -6.322 -0.743 677 HG SER 91 HG SER 91 -8.475 -9.045 -0.630 678 HA PRO 92 HA PRO 92 -8.976 -3.971 -5.242 679 HB2 PRO 92 HB2 PRO 92 -8.448 -1.889 -3.245 680 HB3 PRO 92 HB3 PRO 92 -9.711 -1.926 -4.489 681 HG2 PRO 92 HG2 PRO 92 -10.305 -2.138 -1.894 682 HG3 PRO 92 HG3 PRO 92 -11.226 -2.986 -3.154 683 HD2 PRO 92 HD2 PRO 92 -9.113 -4.065 -1.335 684 HD3 PRO 92 HD3 PRO 92 -10.664 -4.786 -1.820 685 H GLU 93 H GLU 93 -6.989 -3.523 -6.177 686 HA GLU 93 HA GLU 93 -4.728 -3.435 -4.409 687 HB2 GLU 93 HB2 GLU 93 -3.415 -4.719 -6.121 688 HB3 GLU 93 HB3 GLU 93 -4.627 -5.643 -5.255 689 HG2 GLU 93 HG2 GLU 93 -6.034 -5.753 -7.166 690 HG3 GLU 93 HG3 GLU 93 -5.093 -4.522 -8.012 Start of MODEL 14 1 H ASP 14 HT1 ASP 14 3.159 -6.182 0.699 2 HA ASP 14 HA ASP 14 5.331 -4.316 0.302 3 HB2 ASP 14 HB2 ASP 14 5.034 -5.333 -2.111 4 HB3 ASP 14 HB3 ASP 14 6.004 -6.175 -0.908 5 H ASN 15 H ASN 15 2.258 -5.297 -1.305 6 HA ASN 15 HA ASN 15 1.662 -2.400 -1.495 7 HB2 ASN 15 HB2 ASN 15 2.767 -3.220 -3.591 8 HB3 ASN 15 HB3 ASN 15 1.444 -4.381 -3.737 9 HD21 ASN 15 HD21 ASN 15 0.893 -3.483 -5.767 10 HD22 ASN 15 HD22 ASN 15 0.041 -1.974 -5.863 11 H ARG 16 H ARG 16 -0.541 -1.893 -1.563 12 HA ARG 16 HA ARG 16 -2.792 -2.084 -1.308 13 HB2 ARG 16 HB2 ARG 16 -2.274 -4.712 -2.723 14 HB3 ARG 16 HB3 ARG 16 -3.882 -4.047 -2.464 15 HG2 ARG 16 HG2 ARG 16 -3.395 -2.156 -3.841 16 HG3 ARG 16 HG3 ARG 16 -1.703 -2.613 -3.946 17 HD2 ARG 16 HD2 ARG 16 -2.878 -3.170 -5.996 18 HD3 ARG 16 HD3 ARG 16 -2.288 -4.612 -5.191 19 HE ARG 16 HE ARG 16 -4.776 -4.631 -4.319 20 HH11 ARG 16 HH11 ARG 16 -4.066 -3.222 -7.373 21 HH12 ARG 16 HH12 ARG 16 -5.110 -4.142 -8.346 22 HH21 ARG 16 HH21 ARG 16 -6.411 -5.864 -5.487 23 HH22 ARG 16 HH22 ARG 16 -6.558 -5.748 -7.165 24 H HIS 17 H HIS 17 -4.479 -4.286 -0.702 25 HA HIS 17 HA HIS 17 -4.181 -4.719 2.022 26 HB2 HIS 17 HB2 HIS 17 -5.595 -6.280 -0.104 27 HB3 HIS 17 HB3 HIS 17 -5.482 -6.932 1.526 28 HD1 HIS 17 HD1 HIS 17 -6.731 -3.737 -0.163 29 HD2 HIS 17 HD2 HIS 17 -7.421 -6.123 3.165 30 HE1 HIS 17 HE1 HIS 17 -8.840 -2.859 0.910 31 H ALA 18 H ALA 18 -2.581 -6.301 -0.553 32 HA ALA 18 HA ALA 18 -1.618 -8.486 0.861 33 HB1 ALA 18 HB1 ALA 18 -1.705 -8.450 -1.485 34 HB2 ALA 18 HB2 ALA 18 -0.042 -8.787 -0.980 35 HB3 ALA 18 HB3 ALA 18 -0.476 -7.176 -1.617 36 H ALA 19 H ALA 19 -0.812 -5.189 1.066 37 HA ALA 19 HA ALA 19 1.805 -5.393 2.110 38 HB1 ALA 19 HB1 ALA 19 1.473 -3.138 2.954 39 HB2 ALA 19 HB2 ALA 19 -0.275 -3.300 2.723 40 HB3 ALA 19 HB3 ALA 19 0.774 -3.255 1.326 41 H ASP 20 H ASP 20 -1.317 -6.093 3.465 42 HA ASP 20 HA ASP 20 -0.462 -6.174 6.239 43 HB2 ASP 20 HB2 ASP 20 -2.864 -5.821 5.624 44 HB3 ASP 20 HB3 ASP 20 -2.833 -7.384 4.811 45 H TYR 21 H TYR 21 -0.984 -8.324 3.592 46 HA TYR 21 HA TYR 21 -0.361 -10.866 4.536 47 HB2 TYR 21 HB2 TYR 21 -1.234 -10.676 2.354 48 HB3 TYR 21 HB3 TYR 21 -0.068 -9.452 1.919 49 HD1 TYR 21 HD2 TYR 21 2.173 -10.080 1.136 50 HD2 TYR 21 HD1 TYR 21 -0.724 -13.029 2.144 51 HE1 TYR 21 HE2 TYR 21 3.452 -11.748 -0.118 52 HE2 TYR 21 HE1 TYR 21 0.545 -14.684 0.882 53 HH TYR 21 HH TYR 21 3.710 -14.311 -0.247 54 H GLN 22 H GLN 22 1.696 -8.209 3.810 55 HA GLN 22 HA GLN 22 4.218 -9.370 3.512 56 HB2 GLN 22 HB2 GLN 22 3.589 -6.983 3.177 57 HB3 GLN 22 HB3 GLN 22 3.535 -6.801 4.918 58 HG2 GLN 22 HG2 GLN 22 5.596 -5.916 4.134 59 HG3 GLN 22 HG3 GLN 22 5.885 -7.435 5.008 60 HE21 GLN 22 HE21 GLN 22 6.942 -9.014 3.977 61 HE22 GLN 22 HE22 GLN 22 7.412 -9.033 2.331 62 H GLN 23 H GLN 23 2.604 -8.170 6.430 63 HA GLN 23 HA GLN 23 4.667 -8.849 8.150 64 HB2 GLN 23 HB2 GLN 23 1.720 -8.473 8.743 65 HB3 GLN 23 HB3 GLN 23 2.897 -8.747 10.007 66 HG2 GLN 23 HG2 GLN 23 2.359 -6.397 9.868 67 HG3 GLN 23 HG3 GLN 23 4.028 -6.645 9.375 68 HE21 GLN 23 HE21 GLN 23 0.797 -5.867 8.277 69 HE22 GLN 23 HE22 GLN 23 1.318 -5.221 6.753 70 H LEU 24 H LEU 24 1.958 -10.655 6.957 71 HA LEU 24 HA LEU 24 2.062 -12.976 8.612 72 HB2 LEU 24 HB2 LEU 24 0.153 -12.592 7.184 73 HB3 LEU 24 HB3 LEU 24 1.169 -12.588 5.757 74 HG LEU 24 HG LEU 24 1.730 -14.986 6.305 75 HD11 LEU 24 HD11 LEU 24 1.055 -15.040 8.590 76 HD12 LEU 24 HD12 LEU 24 0.156 -16.223 7.642 77 HD13 LEU 24 HD13 LEU 24 -0.618 -14.714 8.133 78 HD21 LEU 24 HD21 LEU 24 -0.140 -15.867 5.246 79 HD22 LEU 24 HD22 LEU 24 0.173 -14.294 4.524 80 HD23 LEU 24 HD23 LEU 24 -1.170 -14.495 5.674 81 H ARG 25 H ARG 25 3.536 -12.126 5.574 82 HA ARG 25 HA ARG 25 4.784 -14.461 4.814 83 HB2 ARG 25 HB2 ARG 25 4.391 -12.124 3.749 84 HB3 ARG 25 HB3 ARG 25 5.936 -11.729 4.461 85 HG2 ARG 25 HG2 ARG 25 6.988 -13.471 3.133 86 HG3 ARG 25 HG3 ARG 25 5.402 -13.865 2.427 87 HD2 ARG 25 HD2 ARG 25 5.319 -11.281 1.978 88 HD3 ARG 25 HD3 ARG 25 7.071 -11.422 2.057 89 HE ARG 25 HE ARG 25 6.316 -13.367 0.301 90 HH11 ARG 25 HH11 ARG 25 5.625 -9.918 0.521 91 HH12 ARG 25 HH12 ARG 25 5.406 -9.634 -1.124 92 HH21 ARG 25 HH21 ARG 25 6.151 -13.104 -1.944 93 HH22 ARG 25 HH22 ARG 25 5.778 -11.574 -2.638 94 H GLU 26 H GLU 26 6.163 -11.647 6.489 95 HA GLU 26 HA GLU 26 8.575 -12.865 7.125 96 HB2 GLU 26 HB2 GLU 26 7.253 -10.403 8.112 97 HB3 GLU 26 HB3 GLU 26 8.744 -10.978 8.858 98 HG2 GLU 26 HG2 GLU 26 9.403 -9.449 7.233 99 HG3 GLU 26 HG3 GLU 26 9.740 -11.024 6.558 100 H ARG 27 H ARG 27 5.527 -12.805 8.975 101 HA ARG 27 HA ARG 27 6.805 -13.744 11.303 102 HB2 ARG 27 HB2 ARG 27 4.786 -12.498 11.488 103 HB3 ARG 27 HB3 ARG 27 3.918 -13.715 10.556 104 HG2 ARG 27 HG2 ARG 27 3.632 -13.781 12.939 105 HG3 ARG 27 HG3 ARG 27 4.182 -15.344 12.264 106 HD2 ARG 27 HD2 ARG 27 6.525 -14.433 13.059 107 HD3 ARG 27 HD3 ARG 27 5.566 -13.320 14.039 108 HE ARG 27 HE ARG 27 4.592 -15.890 14.484 109 HH11 ARG 27 HH11 ARG 27 7.646 -14.147 15.092 110 HH12 ARG 27 HH12 ARG 27 8.087 -15.161 16.380 111 HH21 ARG 27 HH21 ARG 27 5.190 -17.242 16.113 112 HH22 ARG 27 HH22 ARG 27 6.617 -17.043 17.020 113 H LEU 28 H LEU 28 5.266 -15.305 8.550 114 HA LEU 28 HA LEU 28 5.038 -17.831 9.766 115 HB2 LEU 28 HB2 LEU 28 5.222 -17.036 6.875 116 HB3 LEU 28 HB3 LEU 28 5.045 -18.708 7.368 117 HG LEU 28 HG LEU 28 3.078 -16.520 8.045 118 HD11 LEU 28 HD11 LEU 28 1.639 -17.643 6.403 119 HD12 LEU 28 HD12 LEU 28 3.013 -18.650 5.925 120 HD13 LEU 28 HD13 LEU 28 3.064 -16.905 5.687 121 HD21 LEU 28 HD21 LEU 28 3.069 -18.334 9.659 122 HD22 LEU 28 HD22 LEU 28 2.964 -19.510 8.349 123 HD23 LEU 28 HD23 LEU 28 1.630 -18.394 8.641 124 H ILE 29 H ILE 29 7.585 -16.327 7.995 125 HA ILE 29 HA ILE 29 9.517 -18.336 7.853 126 HB ILE 29 HB ILE 29 9.619 -15.364 8.344 127 HG12 ILE 29 HG12 ILE 29 10.258 -17.005 5.887 128 HG13 ILE 29 HG11 ILE 29 8.758 -16.135 6.173 129 HG21 ILE 29 HG21 ILE 29 11.561 -16.209 9.338 130 HG22 ILE 29 HG22 ILE 29 11.996 -15.374 7.836 131 HG23 ILE 29 HG23 ILE 29 11.985 -17.152 7.903 132 HD11 ILE 29 HD11 ILE 29 11.495 -14.939 5.805 133 HD12 ILE 29 HD12 ILE 29 10.032 -14.025 6.175 134 HD13 ILE 29 HD13 ILE 29 10.154 -14.904 4.655 135 H GLN 30 H GLN 30 8.946 -16.038 10.469 136 HA GLN 30 HA GLN 30 10.859 -17.066 12.311 137 HB2 GLN 30 HB2 GLN 30 8.370 -15.477 12.771 138 HB3 GLN 30 HB3 GLN 30 9.689 -15.670 13.924 139 HG2 GLN 30 HG2 GLN 30 11.135 -14.378 12.531 140 HG3 GLN 30 HG3 GLN 30 9.938 -14.357 11.233 141 HE21 GLN 30 HE21 GLN 30 9.773 -12.161 11.193 142 HE22 GLN 30 HE22 GLN 30 9.036 -11.232 12.453 143 H GLU 31 H GLU 31 7.418 -17.498 11.871 144 HA GLU 31 HA GLU 31 6.658 -18.754 14.243 145 HB2 GLU 31 HB2 GLU 31 5.281 -17.655 12.373 146 HB3 GLU 31 HB3 GLU 31 5.406 -19.191 11.539 147 HG2 GLU 31 HG2 GLU 31 3.293 -18.980 12.691 148 HG3 GLU 31 HG3 GLU 31 4.260 -20.283 13.391 149 H LEU 32 H LEU 32 7.725 -20.046 11.151 150 HA LEU 32 HA LEU 32 7.447 -22.788 11.936 151 HB2 LEU 32 HB2 LEU 32 8.371 -21.325 9.507 152 HB3 LEU 32 HB3 LEU 32 8.625 -23.042 9.671 153 HG LEU 32 HG LEU 32 6.265 -23.478 9.606 154 HD11 LEU 32 HD11 LEU 32 4.579 -21.719 9.302 155 HD12 LEU 32 HD12 LEU 32 5.823 -20.499 9.582 156 HD13 LEU 32 HD13 LEU 32 5.369 -21.607 10.878 157 HD21 LEU 32 HD21 LEU 32 5.724 -22.547 7.397 158 HD22 LEU 32 HD22 LEU 32 7.369 -23.205 7.539 159 HD23 LEU 32 HD23 LEU 32 7.122 -21.471 7.581 160 H ASN 33 H ASN 33 9.633 -20.520 12.795 161 HA ASN 33 HA ASN 33 11.773 -20.440 13.562 162 HB2 ASN 33 HB2 ASN 33 10.920 -22.633 14.694 163 HB3 ASN 33 HB3 ASN 33 11.794 -23.492 13.445 164 HD21 ASN 33 HD21 ASN 33 14.152 -21.808 13.483 165 HD22 ASN 33 HD22 ASN 33 14.950 -22.084 15.002 166 H LEU 34 H LEU 34 11.177 -20.360 10.810 167 HA LEU 34 HA LEU 34 13.478 -21.623 9.559 168 HB2 LEU 34 HB2 LEU 34 10.774 -20.854 8.525 169 HB3 LEU 34 HB3 LEU 34 12.080 -21.134 7.407 170 HG LEU 34 HG LEU 34 10.780 -23.064 9.331 171 HD11 LEU 34 HD11 LEU 34 9.559 -22.681 7.293 172 HD12 LEU 34 HD12 LEU 34 10.236 -24.312 7.311 173 HD13 LEU 34 HD13 LEU 34 10.993 -23.051 6.335 174 HD21 LEU 34 HD21 LEU 34 13.144 -23.564 9.385 175 HD22 LEU 34 HD22 LEU 34 13.226 -23.491 7.633 176 HD23 LEU 34 HD23 LEU 34 12.321 -24.789 8.416 177 H THR 35 H THR 35 14.123 -20.342 7.502 178 HA THR 35 HA THR 35 14.443 -17.549 8.269 179 HB THR 35 HB THR 35 16.677 -17.719 7.072 180 HG1 THR 35 HG1 THR 35 17.122 -20.283 7.295 181 HG21 THR 35 HG21 THR 35 16.293 -19.596 9.403 182 HG22 THR 35 HG22 THR 35 16.557 -17.855 9.530 183 HG23 THR 35 HG23 THR 35 17.834 -18.902 8.899 184 HA PRO 36 HA PRO 36 12.571 -16.384 4.452 185 HB2 PRO 36 HB2 PRO 36 14.960 -14.827 3.630 186 HB3 PRO 36 HB3 PRO 36 13.288 -14.277 3.870 187 HG2 PRO 36 HG2 PRO 36 15.137 -13.648 5.627 188 HG3 PRO 36 HG3 PRO 36 13.505 -14.105 6.154 189 HD2 PRO 36 HD2 PRO 36 16.014 -15.719 6.214 190 HD3 PRO 36 HD3 PRO 36 14.710 -15.606 7.414 191 H GLN 37 H GLN 37 15.822 -17.642 4.079 192 HA GLN 37 HA GLN 37 15.268 -18.209 1.249 193 HB2 GLN 37 HB2 GLN 37 17.840 -18.857 2.711 194 HB3 GLN 37 HB3 GLN 37 17.583 -18.834 0.978 195 HG2 GLN 37 HG2 GLN 37 18.741 -16.878 1.287 196 HG3 GLN 37 HG3 GLN 37 17.082 -16.295 1.390 197 HE21 GLN 37 HE21 GLN 37 19.983 -16.972 3.135 198 HE22 GLN 37 HE22 GLN 37 19.547 -16.132 4.584 199 H GLN 38 H GLN 38 14.854 -19.726 4.174 200 HA GLN 38 HA GLN 38 15.142 -22.367 3.015 201 HB2 GLN 38 HB2 GLN 38 16.100 -21.892 5.240 202 HB3 GLN 38 HB3 GLN 38 14.515 -21.401 5.808 203 HG2 GLN 38 HG2 GLN 38 15.001 -23.571 6.582 204 HG3 GLN 38 HG3 GLN 38 13.698 -23.614 5.375 205 HE21 GLN 38 HE21 GLN 38 17.030 -24.431 6.024 206 HE22 GLN 38 HE22 GLN 38 17.205 -25.490 4.662 207 H LEU 39 H LEU 39 12.899 -20.033 4.384 208 HA LEU 39 HA LEU 39 10.709 -21.775 3.754 209 HB2 LEU 39 HB2 LEU 39 10.728 -20.554 5.964 210 HB3 LEU 39 HB3 LEU 39 10.660 -19.056 5.080 211 HG LEU 39 HG LEU 39 8.514 -19.953 6.198 212 HD11 LEU 39 HD11 LEU 39 8.506 -18.060 4.705 213 HD12 LEU 39 HD12 LEU 39 7.079 -19.073 4.438 214 HD13 LEU 39 HD13 LEU 39 8.443 -19.138 3.310 215 HD21 LEU 39 HD21 LEU 39 7.186 -21.470 4.836 216 HD22 LEU 39 HD22 LEU 39 8.701 -22.227 5.357 217 HD23 LEU 39 HD23 LEU 39 8.536 -21.622 3.709 218 H HIS 40 H HIS 40 10.968 -21.764 1.621 219 HA HIS 40 HA HIS 40 10.476 -19.473 -0.011 220 HB2 HIS 40 HB2 HIS 40 11.343 -21.665 -0.912 221 HB3 HIS 40 HB3 HIS 40 9.816 -22.405 -0.493 222 HD1 HIS 40 HD1 HIS 40 8.366 -22.722 -2.511 223 HD2 HIS 40 HD2 HIS 40 10.764 -19.337 -2.806 224 HE1 HIS 40 HE1 HIS 40 7.849 -21.679 -4.749 225 H GLU 41 H GLU 41 8.469 -18.529 -0.374 226 HA GLU 41 HA GLU 41 6.621 -19.063 1.610 227 HB2 GLU 41 HB2 GLU 41 5.275 -17.212 0.678 228 HB3 GLU 41 HB3 GLU 41 6.955 -16.830 0.895 229 HG2 GLU 41 HG2 GLU 41 7.302 -17.097 -1.528 230 HG3 GLU 41 HG3 GLU 41 5.568 -17.393 -1.710 231 H GLU 42 H GLU 42 6.809 -20.554 -1.411 232 HA GLU 42 HA GLU 42 4.065 -21.475 -1.154 233 HB2 GLU 42 HB2 GLU 42 6.029 -21.812 -3.406 234 HB3 GLU 42 HB3 GLU 42 4.502 -22.684 -3.350 235 HG2 GLU 42 HG2 GLU 42 4.890 -19.707 -3.438 236 HG3 GLU 42 HG3 GLU 42 4.206 -20.740 -4.700 237 H SER 43 H SER 43 6.496 -22.341 0.502 238 HA SER 43 HA SER 43 6.453 -25.198 0.107 239 HB2 SER 43 HB2 SER 43 7.374 -23.619 2.523 240 HB3 SER 43 HB3 SER 43 7.830 -25.271 2.106 241 HG SER 43 HG SER 43 8.650 -22.855 1.096 242 H ASN 44 H ASN 44 5.263 -26.676 1.375 243 HA ASN 44 HA ASN 44 2.719 -25.876 2.325 244 HB2 ASN 44 HB2 ASN 44 3.406 -28.333 1.644 245 HB3 ASN 44 HB3 ASN 44 4.191 -28.352 3.172 246 HD21 ASN 44 HD21 ASN 44 1.816 -29.837 2.049 247 HD22 ASN 44 HD22 ASN 44 0.621 -29.690 3.287 248 H LEU 45 H LEU 45 2.490 -24.583 3.983 249 HA LEU 45 HA LEU 45 4.439 -24.091 5.943 250 HB2 LEU 45 HB2 LEU 45 1.518 -23.423 5.990 251 HB3 LEU 45 HB3 LEU 45 2.757 -22.697 6.999 252 HG LEU 45 HG LEU 45 2.650 -22.530 4.005 253 HD11 LEU 45 HD11 LEU 45 1.970 -20.508 6.124 254 HD12 LEU 45 HD12 LEU 45 0.831 -21.286 5.020 255 HD13 LEU 45 HD13 LEU 45 2.051 -20.171 4.396 256 HD21 LEU 45 HD21 LEU 45 4.432 -20.861 4.257 257 HD22 LEU 45 HD22 LEU 45 4.931 -22.421 4.930 258 HD23 LEU 45 HD23 LEU 45 4.427 -21.122 6.000 259 H ILE 46 H ILE 46 1.604 -26.100 6.012 260 HA ILE 46 HA ILE 46 1.581 -26.600 8.815 261 HB ILE 46 HB ILE 46 0.539 -28.388 6.592 262 HG12 ILE 46 HG12 ILE 46 -0.886 -26.197 8.123 263 HG13 ILE 46 HG11 ILE 46 -0.338 -26.082 6.455 264 HG21 ILE 46 HG21 ILE 46 -0.225 -28.213 9.517 265 HG22 ILE 46 HG22 ILE 46 0.683 -29.523 8.761 266 HG23 ILE 46 HG23 ILE 46 -1.002 -29.246 8.315 267 HD11 ILE 46 HD11 ILE 46 -2.697 -26.510 6.544 268 HD12 ILE 46 HD12 ILE 46 -2.432 -27.953 7.527 269 HD13 ILE 46 HD13 ILE 46 -1.867 -27.906 5.854 270 H GLN 47 H GLN 47 2.915 -28.185 6.053 271 HA GLN 47 HA GLN 47 4.151 -30.333 7.478 272 HB2 GLN 47 HB2 GLN 47 4.000 -29.376 4.728 273 HB3 GLN 47 HB3 GLN 47 5.272 -30.520 4.977 274 HG2 GLN 47 HG2 GLN 47 2.295 -30.833 5.342 275 HG3 GLN 47 HG3 GLN 47 3.329 -31.647 4.173 276 HE21 GLN 47 HE21 GLN 47 5.406 -32.201 6.239 277 HE22 GLN 47 HE22 GLN 47 4.731 -33.482 7.183 278 H ALA 48 H ALA 48 4.972 -27.137 7.064 279 HA ALA 48 HA ALA 48 7.838 -27.624 7.177 280 HB1 ALA 48 HB1 ALA 48 6.332 -25.001 6.944 281 HB2 ALA 48 HB2 ALA 48 7.062 -25.893 5.622 282 HB3 ALA 48 HB3 ALA 48 8.082 -25.199 6.879 283 H GLY 49 H GLY 49 5.289 -26.007 9.087 284 HA2 GLY 49 HA2 GLY 49 6.066 -26.931 11.545 285 HA3 GLY 49 HA3 GLY 49 7.106 -25.541 11.273 286 H LEU 50 H LEU 50 3.690 -26.108 10.507 287 HA LEU 50 HA LEU 50 2.812 -23.967 12.360 288 HB2 LEU 50 HB2 LEU 50 3.224 -23.102 9.979 289 HB3 LEU 50 HB3 LEU 50 1.987 -24.223 9.464 290 HG LEU 50 HG LEU 50 0.383 -23.031 10.981 291 HD11 LEU 50 HD11 LEU 50 2.657 -21.068 11.178 292 HD12 LEU 50 HD12 LEU 50 1.971 -22.013 12.501 293 HD13 LEU 50 HD13 LEU 50 1.004 -20.775 11.703 294 HD21 LEU 50 HD21 LEU 50 1.708 -21.388 8.836 295 HD22 LEU 50 HD22 LEU 50 0.091 -21.133 9.491 296 HD23 LEU 50 HD23 LEU 50 0.453 -22.603 8.582 297 H ASP 51 H ASP 51 1.366 -24.863 13.555 298 HA ASP 51 HA ASP 51 0.110 -27.322 12.768 299 HB2 ASP 51 HB2 ASP 51 -0.862 -27.114 15.109 300 HB3 ASP 51 HB3 ASP 51 0.894 -27.232 15.017 301 HA 4HH 52 HA 4HH 52 -3.624 -25.429 11.958 302 H 4HH 52 H 4HH 52 -2.355 -27.081 14.008 303 HB3 4HH 52 HB3 4HH 52 -4.203 -27.840 11.862 304 HB2 4HH 52 HB2 4HH 52 -5.572 -26.852 12.366 305 HJ3 4HH 52 HJ3 4HH 52 -7.853 -27.402 15.024 306 HJ2 4HH 52 HJ2 4HH 52 -8.729 -28.750 14.322 307 HL13 4HH 52 HL13 4HH 52 -10.153 -26.444 11.585 308 HL12 4HH 52 HL12 4HH 52 -8.750 -27.411 11.326 309 HL11 4HH 52 HL11 4HH 52 -10.270 -28.102 12.038 310 HL21 4HH 52 HL21 4HH 52 -7.623 -25.459 12.696 311 HL23 4HH 52 HL23 4HH 52 -9.225 -24.818 12.752 312 HL22 4HH 52 HL22 4HH 52 -8.430 -24.974 14.255 313 HL3 4HH 52 HL3 4HH 52 -11.040 -27.571 14.308 314 HM 4HH 52 HM 4HH 52 -9.795 -25.262 15.495 315 HN 4HH 52 HN 4HH 52 -11.130 -23.727 14.163 316 HO2 4HH 52 HO2 4HH 52 -13.499 -25.212 14.995 317 HO3 4HH 52 HO3 4HH 52 -12.535 -24.423 16.270 318 HP3 4HH 52 HP3 4HH 52 -13.236 -22.295 15.130 319 HP2 4HH 52 HP2 4HH 52 -14.674 -23.295 15.475 320 HS2 4HH 52 HS2 4HH 52 -14.161 -20.666 13.124 321 HS3 4HH 52 HS3 4HH 52 -14.099 -21.068 11.368 322 HT3 4HH 52 HT3 4HH 52 -12.629 -19.242 11.899 323 HT2 4HH 52 HT2 4HH 52 -11.594 -20.635 11.605 324 HR 4HH 52 HR 4HH 52 -12.517 -22.901 12.271 325 HU 4HH 52 HU 4HH 52 -11.137 -21.067 14.386 326 H ILE 53 H ILE 53 -2.758 -25.261 15.027 327 HA ILE 53 HA ILE 53 -5.126 -23.784 15.813 328 HB ILE 53 HB ILE 53 -2.515 -24.202 17.277 329 HG12 ILE 53 HG12 ILE 53 -3.784 -26.273 17.102 330 HG13 ILE 53 HG11 ILE 53 -3.872 -25.680 18.753 331 HG21 ILE 53 HG21 ILE 53 -5.091 -22.926 18.265 332 HG22 ILE 53 HG22 ILE 53 -3.614 -22.062 17.902 333 HG23 ILE 53 HG23 ILE 53 -3.651 -23.210 19.248 334 HD11 ILE 53 HD11 ILE 53 -6.009 -26.553 18.049 335 HD12 ILE 53 HD12 ILE 53 -6.036 -25.462 16.670 336 HD13 ILE 53 HD13 ILE 53 -6.127 -24.812 18.309 337 H ARG 54 H ARG 54 -1.716 -23.355 15.100 338 HA ARG 54 HA ARG 54 -1.801 -20.560 15.162 339 HB2 ARG 54 HB2 ARG 54 0.119 -22.538 14.136 340 HB3 ARG 54 HB3 ARG 54 0.308 -20.812 13.801 341 HG2 ARG 54 HG2 ARG 54 0.089 -20.406 16.216 342 HG3 ARG 54 HG3 ARG 54 0.139 -22.160 16.446 343 HD2 ARG 54 HD2 ARG 54 2.073 -20.793 14.806 344 HD3 ARG 54 HD3 ARG 54 2.331 -20.771 16.582 345 HE ARG 54 HE ARG 54 1.892 -23.387 15.757 346 HH11 ARG 54 HH11 ARG 54 4.405 -20.914 15.346 347 HH12 ARG 54 HH12 ARG 54 5.583 -21.985 14.797 348 HH21 ARG 54 HH21 ARG 54 3.443 -24.850 15.158 349 HH22 ARG 54 HH22 ARG 54 5.028 -24.358 14.659 350 H LEU 55 H LEU 55 -2.253 -22.883 12.485 351 HA LEU 55 HA LEU 55 -2.402 -20.746 10.599 352 HB2 LEU 55 HB2 LEU 55 -1.836 -23.069 9.920 353 HB3 LEU 55 HB3 LEU 55 -3.487 -23.540 10.264 354 HG LEU 55 HG LEU 55 -2.952 -21.364 8.257 355 HD11 LEU 55 HD11 LEU 55 -1.545 -23.107 7.631 356 HD12 LEU 55 HD12 LEU 55 -2.971 -23.062 6.549 357 HD13 LEU 55 HD13 LEU 55 -2.844 -24.307 7.815 358 HD21 LEU 55 HD21 LEU 55 -5.111 -23.470 8.438 359 HD22 LEU 55 HD22 LEU 55 -4.997 -22.189 7.232 360 HD23 LEU 55 HD23 LEU 55 -5.271 -21.782 8.927 361 H MET 56 H MET 56 -4.841 -22.528 12.380 362 HA MET 56 HA MET 56 -7.044 -21.227 11.229 363 HB2 MET 56 HB2 MET 56 -7.341 -23.089 12.752 364 HB3 MET 56 HB3 MET 56 -6.689 -22.122 14.071 365 HG2 MET 56 HG2 MET 56 -8.555 -20.469 13.496 366 HG3 MET 56 HG3 MET 56 -9.310 -21.821 12.650 367 HE1 MET 56 HE1 MET 56 -8.364 -21.403 17.084 368 HE2 MET 56 HE2 MET 56 -7.790 -20.396 15.703 369 HE3 MET 56 HE3 MET 56 -7.154 -22.008 15.963 370 H ARG 57 H ARG 57 -4.854 -20.334 13.776 371 HA ARG 57 HA ARG 57 -6.206 -18.172 14.660 372 HB2 ARG 57 HB2 ARG 57 -4.260 -19.154 15.812 373 HB3 ARG 57 HB3 ARG 57 -3.255 -18.507 14.529 374 HG2 ARG 57 HG2 ARG 57 -3.013 -17.078 16.399 375 HG3 ARG 57 HG3 ARG 57 -3.978 -16.227 15.183 376 HD2 ARG 57 HD2 ARG 57 -5.983 -17.097 16.317 377 HD3 ARG 57 HD3 ARG 57 -4.918 -17.674 17.600 378 HE ARG 57 HE ARG 57 -5.100 -14.848 16.806 379 HH11 ARG 57 HH11 ARG 57 -5.080 -17.265 19.387 380 HH12 ARG 57 HH12 ARG 57 -5.181 -16.158 20.672 381 HH21 ARG 57 HH21 ARG 57 -5.244 -13.285 18.542 382 HH22 ARG 57 HH22 ARG 57 -5.278 -13.781 20.168 383 H TRP 58 H TRP 58 -4.079 -18.673 11.802 384 HA TRP 58 HA TRP 58 -3.703 -15.934 11.225 385 HB2 TRP 58 HB2 TRP 58 -3.351 -18.443 9.615 386 HB3 TRP 58 HB3 TRP 58 -3.105 -16.866 8.896 387 HD1 TRP 58 HD1 TRP 58 -1.089 -19.491 10.064 388 HE1 TRP 58 HE1 TRP 58 1.163 -18.680 11.035 389 HE3 TRP 58 HE3 TRP 58 -2.229 -14.553 10.797 390 HZ2 TRP 58 HZ2 TRP 58 2.315 -16.253 11.943 391 HZ3 TRP 58 HZ3 TRP 58 -0.511 -13.072 11.717 392 HH2 TRP 58 HH2 TRP 58 1.699 -13.902 12.283 393 H LEU 59 H LEU 59 -6.259 -18.139 10.698 394 HA LEU 59 HA LEU 59 -7.282 -16.754 8.454 395 HB2 LEU 59 HB2 LEU 59 -7.715 -19.168 8.851 396 HB3 LEU 59 HB3 LEU 59 -8.735 -18.740 10.202 397 HG LEU 59 HG LEU 59 -9.883 -19.380 7.986 398 HD11 LEU 59 HD11 LEU 59 -11.639 -17.764 8.207 399 HD12 LEU 59 HD12 LEU 59 -10.606 -16.782 9.262 400 HD13 LEU 59 HD13 LEU 59 -11.135 -18.392 9.785 401 HD21 LEU 59 HD21 LEU 59 -9.022 -16.588 7.276 402 HD22 LEU 59 HD22 LEU 59 -10.183 -17.569 6.386 403 HD23 LEU 59 HD23 LEU 59 -8.501 -18.077 6.480 404 H HIS 60 H HIS 60 -7.897 -16.539 11.897 405 HA HIS 60 HA HIS 60 -10.079 -14.719 11.443 406 HB2 HIS 60 HB2 HIS 60 -10.458 -14.782 13.751 407 HB3 HIS 60 HB3 HIS 60 -9.383 -16.163 13.657 408 HD1 HIS 60 HD1 HIS 60 -9.923 -13.415 15.748 409 HD2 HIS 60 HD2 HIS 60 -6.559 -15.038 13.995 410 HE1 HIS 60 HE1 HIS 60 -7.996 -12.674 17.193 411 H TRP 61 H TRP 61 -6.713 -14.537 11.490 412 HA TRP 61 HA TRP 61 -6.415 -11.721 11.845 413 HB2 TRP 61 HB2 TRP 61 -4.600 -13.379 12.304 414 HB3 TRP 61 HB3 TRP 61 -4.584 -13.817 10.608 415 HD1 TRP 61 HD1 TRP 61 -3.409 -11.111 13.027 416 HE1 TRP 61 HE1 TRP 61 -1.654 -9.644 11.835 417 HE3 TRP 61 HE3 TRP 61 -3.838 -12.991 8.298 418 HZ2 TRP 61 HZ2 TRP 61 -0.599 -9.328 9.232 419 HZ3 TRP 61 HZ3 TRP 61 -2.414 -12.052 6.527 420 HH2 TRP 61 HH2 TRP 61 -0.843 -10.260 6.991 421 H PHE 62 H PHE 62 -7.169 -13.860 9.219 422 HA PHE 62 HA PHE 62 -6.939 -11.801 7.222 423 HB2 PHE 62 HB2 PHE 62 -8.270 -14.525 7.146 424 HB3 PHE 62 HB3 PHE 62 -8.201 -13.467 5.752 425 HD1 PHE 62 HD1 PHE 62 -5.542 -12.444 5.859 426 HD2 PHE 62 HD2 PHE 62 -6.958 -16.334 6.652 427 HE1 PHE 62 HE1 PHE 62 -3.324 -13.378 5.228 428 HE2 PHE 62 HE2 PHE 62 -4.770 -17.286 6.050 429 HZ PHE 62 HZ PHE 62 -2.952 -15.803 5.336 430 H ARG 63 H ARG 63 -9.462 -13.298 9.088 431 HA ARG 63 HA ARG 63 -11.580 -11.793 7.965 432 HB2 ARG 63 HB2 ARG 63 -11.398 -13.282 10.582 433 HB3 ARG 63 HB3 ARG 63 -12.874 -12.538 9.988 434 HG2 ARG 63 HG2 ARG 63 -11.333 -14.673 8.514 435 HG3 ARG 63 HG3 ARG 63 -12.752 -14.972 9.524 436 HD2 ARG 63 HD2 ARG 63 -14.083 -13.537 8.110 437 HD3 ARG 63 HD3 ARG 63 -12.670 -13.159 7.126 438 HE ARG 63 HE ARG 63 -12.644 -15.587 6.552 439 HH11 ARG 63 HH11 ARG 63 -15.699 -14.006 7.417 440 HH12 ARG 63 HH12 ARG 63 -16.674 -15.016 6.453 441 HH21 ARG 63 HH21 ARG 63 -13.971 -16.974 5.200 442 HH22 ARG 63 HH22 ARG 63 -15.632 -16.798 5.142 443 H LYS 64 H LYS 64 -9.161 -10.898 10.117 444 HA LYS 64 HA LYS 64 -10.502 -8.932 11.631 445 HB2 LYS 64 HB2 LYS 64 -8.422 -8.575 12.615 446 HB3 LYS 64 HB3 LYS 64 -8.147 -10.112 11.858 447 HG2 LYS 64 HG2 LYS 64 -7.155 -8.980 9.925 448 HG3 LYS 64 HG3 LYS 64 -7.325 -7.450 10.781 449 HD2 LYS 64 HD2 LYS 64 -5.978 -8.392 12.604 450 HD3 LYS 64 HD3 LYS 64 -5.731 -9.840 11.639 451 HE2 LYS 64 HE2 LYS 64 -4.812 -7.014 10.962 452 HE3 LYS 64 HE3 LYS 64 -3.787 -8.407 11.290 453 HZ1 LYS 64 HZ1 LYS 64 -4.694 -9.419 9.169 454 HZ2 LYS 64 HZ2 LYS 64 -3.864 -7.984 8.900 455 HZ3 LYS 64 HZ3 LYS 64 -5.516 -7.971 8.912 456 H ASN 65 H ASN 65 -9.110 -8.917 8.398 457 HA ASN 65 HA ASN 65 -9.669 -6.009 8.134 458 HB2 ASN 65 HB2 ASN 65 -7.960 -7.807 6.397 459 HB3 ASN 65 HB3 ASN 65 -8.383 -6.168 5.961 460 HD21 ASN 65 HD21 ASN 65 -6.241 -5.583 5.813 461 HD22 ASN 65 HD22 ASN 65 -5.223 -5.398 7.194 462 H GLY 66 H GLY 66 -11.251 -8.656 7.879 463 HA2 GLY 66 HA2 GLY 66 -13.116 -9.299 6.690 464 HA3 GLY 66 HA3 GLY 66 -13.024 -7.756 5.853 465 H TYR 67 H TYR 67 -10.546 -10.363 5.886 466 HA TYR 67 HA TYR 67 -10.634 -10.386 3.045 467 HB2 TYR 67 HB2 TYR 67 -9.107 -11.942 5.095 468 HB3 TYR 67 HB3 TYR 67 -8.972 -12.298 3.374 469 HD1 TYR 67 HD2 TYR 67 -8.138 -10.415 1.884 470 HD2 TYR 67 HD1 TYR 67 -7.816 -10.301 6.087 471 HE1 TYR 67 HE2 TYR 67 -6.412 -8.689 1.683 472 HE2 TYR 67 HE1 TYR 67 -6.091 -8.588 5.925 473 HH TYR 67 HH TYR 67 -4.508 -7.790 4.367 474 H ARG 68 H ARG 68 -11.903 -11.600 1.834 475 HA ARG 68 HA ARG 68 -13.637 -13.471 3.146 476 HB2 ARG 68 HB2 ARG 68 -14.818 -13.654 0.938 477 HB3 ARG 68 HB3 ARG 68 -14.795 -12.034 1.598 478 HG2 ARG 68 HG2 ARG 68 -13.864 -11.279 -0.232 479 HG3 ARG 68 HG3 ARG 68 -12.511 -12.384 0.003 480 HD2 ARG 68 HD2 ARG 68 -13.858 -14.185 -1.051 481 HD3 ARG 68 HD3 ARG 68 -15.069 -12.962 -1.449 482 HE ARG 68 HE ARG 68 -13.667 -12.071 -3.037 483 HH11 ARG 68 HH11 ARG 68 -11.963 -14.657 -1.247 484 HH12 ARG 68 HH12 ARG 68 -10.688 -14.773 -2.361 485 HH21 ARG 68 HH21 ARG 68 -11.829 -12.232 -4.571 486 HH22 ARG 68 HH22 ARG 68 -10.595 -13.332 -4.274 487 H LEU 69 H LEU 69 -11.989 -14.766 3.679 488 HA LEU 69 HA LEU 69 -11.988 -17.105 2.039 489 HB2 LEU 69 HB2 LEU 69 -9.508 -17.532 2.808 490 HB3 LEU 69 HB3 LEU 69 -9.814 -16.617 1.357 491 HG LEU 69 HG LEU 69 -9.305 -15.150 3.948 492 HD11 LEU 69 HD11 LEU 69 -6.914 -15.102 3.285 493 HD12 LEU 69 HD12 LEU 69 -7.243 -16.379 2.103 494 HD13 LEU 69 HD13 LEU 69 -7.466 -16.671 3.833 495 HD21 LEU 69 HD21 LEU 69 -8.219 -13.600 2.289 496 HD22 LEU 69 HD22 LEU 69 -9.970 -13.768 2.152 497 HD23 LEU 69 HD23 LEU 69 -8.915 -14.598 1.014 498 H THR 70 H THR 70 -11.979 -18.984 3.285 499 HA THR 70 HA THR 70 -12.463 -18.375 6.096 500 HB THR 70 HB THR 70 -13.590 -20.813 4.718 501 HG1 THR 70 HG1 THR 70 -14.239 -19.396 3.342 502 HG21 THR 70 HG21 THR 70 -13.985 -20.496 7.164 503 HG22 THR 70 HG22 THR 70 -15.485 -20.376 6.253 504 HG23 THR 70 HG23 THR 70 -14.686 -18.915 6.823 505 H LEU 71 H LEU 71 -12.358 -20.861 7.130 506 HA LEU 71 HA LEU 71 -9.544 -21.180 7.360 507 HB2 LEU 71 HB2 LEU 71 -11.105 -21.203 9.217 508 HB3 LEU 71 HB3 LEU 71 -11.819 -22.674 8.593 509 HG LEU 71 HG LEU 71 -9.643 -23.791 8.882 510 HD11 LEU 71 HD11 LEU 71 -8.924 -21.220 10.270 511 HD12 LEU 71 HD12 LEU 71 -8.170 -21.878 8.805 512 HD13 LEU 71 HD13 LEU 71 -8.006 -22.719 10.345 513 HD21 LEU 71 HD21 LEU 71 -9.796 -23.977 11.255 514 HD22 LEU 71 HD22 LEU 71 -11.406 -23.997 10.533 515 HD23 LEU 71 HD23 LEU 71 -10.810 -22.547 11.355 516 H ARG 72 H ARG 72 -11.960 -22.947 5.514 517 HA ARG 72 HA ARG 72 -10.345 -25.327 5.751 518 HB2 ARG 72 HB2 ARG 72 -13.082 -24.931 4.616 519 HB3 ARG 72 HB3 ARG 72 -12.210 -26.411 4.290 520 HG2 ARG 72 HG2 ARG 72 -13.585 -26.883 6.136 521 HG3 ARG 72 HG3 ARG 72 -11.964 -26.673 6.800 522 HD2 ARG 72 HD2 ARG 72 -12.627 -24.263 7.056 523 HD3 ARG 72 HD3 ARG 72 -14.283 -24.828 6.844 524 HE ARG 72 HE ARG 72 -12.637 -26.090 8.918 525 HH11 ARG 72 HH11 ARG 72 -15.471 -24.078 8.205 526 HH12 ARG 72 HH12 ARG 72 -15.934 -23.916 9.841 527 HH21 ARG 72 HH21 ARG 72 -13.270 -25.776 11.221 528 HH22 ARG 72 HH22 ARG 72 -14.640 -24.874 11.567 529 H GLU 73 H GLU 73 -11.153 -22.996 3.392 530 HA GLU 73 HA GLU 73 -9.888 -24.116 1.216 531 HB2 GLU 73 HB2 GLU 73 -9.553 -21.559 0.567 532 HB3 GLU 73 HB3 GLU 73 -11.161 -22.278 0.700 533 HG2 GLU 73 HG2 GLU 73 -10.019 -21.190 3.015 534 HG3 GLU 73 HG3 GLU 73 -10.483 -19.996 1.767 535 H LEU 74 H LEU 74 -8.713 -22.208 3.785 536 HA LEU 74 HA LEU 74 -6.070 -21.872 2.902 537 HB2 LEU 74 HB2 LEU 74 -6.751 -22.257 5.812 538 HB3 LEU 74 HB3 LEU 74 -5.274 -21.587 5.179 539 HG LEU 74 HG LEU 74 -7.956 -20.400 5.425 540 HD11 LEU 74 HD11 LEU 74 -5.184 -19.547 6.098 541 HD12 LEU 74 HD12 LEU 74 -6.400 -20.131 7.245 542 HD13 LEU 74 HD13 LEU 74 -6.607 -18.574 6.421 543 HD21 LEU 74 HD21 LEU 74 -5.758 -19.313 3.709 544 HD22 LEU 74 HD22 LEU 74 -7.295 -18.518 4.153 545 HD23 LEU 74 HD23 LEU 74 -7.311 -19.958 3.128 546 H TYR 75 H TYR 75 -7.571 -24.439 4.823 547 HA TYR 75 HA TYR 75 -5.142 -25.859 5.221 548 HB2 TYR 75 HB2 TYR 75 -8.004 -26.544 5.828 549 HB3 TYR 75 HB3 TYR 75 -6.748 -27.797 5.943 550 HD1 TYR 75 HD2 TYR 75 -4.630 -26.732 7.119 551 HD2 TYR 75 HD1 TYR 75 -8.643 -25.678 7.691 552 HE1 TYR 75 HE2 TYR 75 -4.050 -25.861 9.383 553 HE2 TYR 75 HE1 TYR 75 -8.130 -24.804 9.936 554 HH TYR 75 HH TYR 75 -6.365 -25.107 11.671 555 H ALA 76 H ALA 76 -7.313 -25.711 2.663 556 HA ALA 76 HA ALA 76 -6.459 -28.222 1.658 557 HB1 ALA 76 HB1 ALA 76 -8.128 -26.091 0.315 558 HB2 ALA 76 HB2 ALA 76 -8.738 -27.480 1.212 559 HB3 ALA 76 HB3 ALA 76 -7.872 -27.725 -0.308 560 H ALA 77 H ALA 77 -5.807 -24.814 1.147 561 HA ALA 77 HA ALA 77 -3.443 -25.546 -0.412 562 HB1 ALA 77 HB1 ALA 77 -5.212 -23.151 -0.977 563 HB2 ALA 77 HB2 ALA 77 -5.132 -24.612 -1.963 564 HB3 ALA 77 HB3 ALA 77 -3.717 -23.566 -1.814 565 HA PRO 78 HA PRO 78 -2.229 -22.734 2.936 566 HB2 PRO 78 HB2 PRO 78 -0.556 -24.447 4.261 567 HB3 PRO 78 HB3 PRO 78 -2.302 -24.352 4.571 568 HG2 PRO 78 HG2 PRO 78 -0.846 -26.535 3.402 569 HG3 PRO 78 HG3 PRO 78 -2.569 -26.439 3.802 570 HD2 PRO 78 HD2 PRO 78 -1.255 -26.071 1.194 571 HD3 PRO 78 HD3 PRO 78 -2.953 -26.441 1.567 572 H THR 79 H THR 79 -1.139 -21.653 1.173 573 HA THR 79 HA THR 79 1.719 -21.815 1.440 574 HB THR 79 HB THR 79 2.090 -21.597 -0.989 575 HG1 THR 79 HG1 THR 79 0.650 -21.328 -2.363 576 HG21 THR 79 HG21 THR 79 1.433 -23.817 -1.815 577 HG22 THR 79 HG22 THR 79 0.309 -23.958 -0.459 578 HG23 THR 79 HG23 THR 79 2.046 -23.902 -0.154 579 H LEU 80 H LEU 80 2.604 -19.685 0.645 580 HA LEU 80 HA LEU 80 0.853 -17.708 1.702 581 HB2 LEU 80 HB2 LEU 80 3.649 -17.983 1.186 582 HB3 LEU 80 HB3 LEU 80 3.088 -16.352 0.820 583 HG LEU 80 HG LEU 80 2.565 -17.689 3.508 584 HD11 LEU 80 HD11 LEU 80 4.799 -15.823 2.707 585 HD12 LEU 80 HD12 LEU 80 5.020 -17.535 3.100 586 HD13 LEU 80 HD13 LEU 80 4.463 -16.399 4.335 587 HD21 LEU 80 HD21 LEU 80 1.174 -15.812 2.911 588 HD22 LEU 80 HD22 LEU 80 2.611 -14.847 2.578 589 HD23 LEU 80 HD23 LEU 80 2.287 -15.409 4.217 590 H ALA 81 H ALA 81 2.075 -18.409 -1.552 591 HA ALA 81 HA ALA 81 1.074 -15.935 -2.558 592 HB1 ALA 81 HB1 ALA 81 1.863 -18.385 -4.129 593 HB2 ALA 81 HB2 ALA 81 2.953 -17.083 -3.656 594 HB3 ALA 81 HB3 ALA 81 1.627 -16.760 -4.774 595 H ALA 82 H ALA 82 -0.271 -19.145 -2.198 596 HA ALA 82 HA ALA 82 -2.571 -18.620 -3.803 597 HB1 ALA 82 HB1 ALA 82 -2.107 -20.927 -3.135 598 HB2 ALA 82 HB2 ALA 82 -3.701 -20.376 -2.563 599 HB3 ALA 82 HB3 ALA 82 -2.356 -20.477 -1.435 600 H TRP 83 H TRP 83 -1.814 -18.237 -0.394 601 HA TRP 83 HA TRP 83 -4.319 -17.184 0.312 602 HB2 TRP 83 HB2 TRP 83 -1.619 -16.844 1.603 603 HB3 TRP 83 HB3 TRP 83 -3.110 -16.211 2.290 604 HD1 TRP 83 HD1 TRP 83 -4.141 -19.406 0.919 605 HE1 TRP 83 HE1 TRP 83 -4.061 -21.255 2.642 606 HE3 TRP 83 HE3 TRP 83 -1.353 -17.038 4.349 607 HZ2 TRP 83 HZ2 TRP 83 -3.037 -21.635 5.213 608 HZ3 TRP 83 HZ3 TRP 83 -0.826 -18.199 6.508 609 HH2 TRP 83 HH2 TRP 83 -1.647 -20.464 6.916 610 H ASN 84 H ASN 84 -1.329 -15.682 -0.651 611 HA ASN 84 HA ASN 84 -1.960 -12.986 -0.685 612 HB2 ASN 84 HB2 ASN 84 0.225 -14.023 -1.420 613 HB3 ASN 84 HB3 ASN 84 -0.548 -14.455 -2.935 614 HD21 ASN 84 HD21 ASN 84 1.771 -12.804 -2.394 615 HD22 ASN 84 HD22 ASN 84 1.439 -11.252 -3.089 616 H GLN 85 H GLN 85 -2.630 -15.375 -3.212 617 HA GLN 85 HA GLN 85 -4.090 -13.752 -4.938 618 HB2 GLN 85 HB2 GLN 85 -3.273 -15.988 -5.565 619 HB3 GLN 85 HB3 GLN 85 -4.380 -16.734 -4.433 620 HG2 GLN 85 HG2 GLN 85 -5.216 -16.902 -6.712 621 HG3 GLN 85 HG3 GLN 85 -6.282 -15.911 -5.723 622 HE21 GLN 85 HE21 GLN 85 -3.228 -14.764 -7.038 623 HE22 GLN 85 HE22 GLN 85 -3.944 -13.651 -8.151 624 H LEU 86 H LEU 86 -5.171 -15.736 -2.227 625 HA LEU 86 HA LEU 86 -7.929 -15.282 -2.428 626 HB2 LEU 86 HB2 LEU 86 -6.332 -15.800 0.078 627 HB3 LEU 86 HB3 LEU 86 -8.048 -16.058 -0.128 628 HG LEU 86 HG LEU 86 -5.887 -17.626 -1.568 629 HD11 LEU 86 HD11 LEU 86 -7.702 -18.493 0.626 630 HD12 LEU 86 HD12 LEU 86 -6.029 -17.987 0.873 631 HD13 LEU 86 HD13 LEU 86 -6.384 -19.422 -0.119 632 HD21 LEU 86 HD21 LEU 86 -7.629 -19.164 -2.101 633 HD22 LEU 86 HD22 LEU 86 -7.986 -17.583 -2.836 634 HD23 LEU 86 HD23 LEU 86 -8.838 -18.127 -1.365 635 H MET 87 H MET 87 -5.351 -13.221 -1.296 636 HA MET 87 HA MET 87 -6.832 -11.585 0.620 637 HB2 MET 87 HB2 MET 87 -4.042 -11.463 -0.537 638 HB3 MET 87 HB3 MET 87 -4.581 -10.318 0.657 639 HG2 MET 87 HG2 MET 87 -4.531 -13.295 1.109 640 HG3 MET 87 HG3 MET 87 -3.144 -12.263 1.418 641 HE1 MET 87 HE1 MET 87 -2.695 -11.214 3.654 642 HE2 MET 87 HE2 MET 87 -3.960 -10.373 4.553 643 HE3 MET 87 HE3 MET 87 -3.616 -9.925 2.881 644 H LEU 88 H LEU 88 -5.207 -11.374 -2.424 645 HA LEU 88 HA LEU 88 -5.616 -8.630 -2.870 646 HB2 LEU 88 HB2 LEU 88 -3.572 -9.564 -3.348 647 HB3 LEU 88 HB3 LEU 88 -4.279 -10.993 -4.064 648 HG LEU 88 HG LEU 88 -5.164 -9.656 -5.702 649 HD11 LEU 88 HD11 LEU 88 -4.883 -7.377 -4.732 650 HD12 LEU 88 HD12 LEU 88 -3.847 -7.392 -6.162 651 HD13 LEU 88 HD13 LEU 88 -3.153 -7.627 -4.557 652 HD21 LEU 88 HD21 LEU 88 -2.999 -9.530 -7.046 653 HD22 LEU 88 HD22 LEU 88 -3.320 -11.046 -6.202 654 HD23 LEU 88 HD23 LEU 88 -2.171 -9.887 -5.531 655 H SER 89 H SER 89 -7.141 -11.630 -3.991 656 HA SER 89 HA SER 89 -8.139 -10.353 -6.274 657 HB2 SER 89 HB2 SER 89 -9.536 -12.466 -6.577 658 HB3 SER 89 HB3 SER 89 -7.795 -12.711 -6.441 659 HG SER 89 HG SER 89 -8.010 -13.588 -4.569 660 H ARG 90 H ARG 90 -8.899 -9.628 -3.388 661 HA ARG 90 HA ARG 90 -11.834 -9.687 -3.371 662 HB2 ARG 90 HB2 ARG 90 -9.799 -8.639 -1.452 663 HB3 ARG 90 HB3 ARG 90 -11.525 -8.516 -1.223 664 HG2 ARG 90 HG2 ARG 90 -11.749 -10.774 -0.861 665 HG3 ARG 90 HG3 ARG 90 -10.164 -11.148 -1.561 666 HD2 ARG 90 HD2 ARG 90 -10.175 -11.220 0.925 667 HD3 ARG 90 HD3 ARG 90 -9.038 -10.079 0.211 668 HE ARG 90 HE ARG 90 -11.484 -9.369 1.728 669 HH11 ARG 90 HH11 ARG 90 -8.585 -8.216 -0.023 670 HH12 ARG 90 HH12 ARG 90 -8.563 -6.713 0.740 671 HH21 ARG 90 HH21 ARG 90 -11.360 -7.315 2.879 672 HH22 ARG 90 HH22 ARG 90 -10.141 -6.204 2.473 673 H SER 91 H SER 91 -9.173 -7.314 -2.964 674 HA SER 91 HA SER 91 -11.093 -5.208 -3.338 675 HB2 SER 91 HB2 SER 91 -9.040 -3.972 -2.361 676 HB3 SER 91 HB3 SER 91 -10.026 -5.001 -1.316 677 HG SER 91 HG SER 91 -7.434 -5.388 -2.296 678 HA PRO 92 HA PRO 92 -8.785 -4.183 -7.111 679 HB2 PRO 92 HB2 PRO 92 -10.677 -2.069 -7.604 680 HB3 PRO 92 HB3 PRO 92 -10.593 -3.629 -8.442 681 HG2 PRO 92 HG2 PRO 92 -12.671 -2.862 -6.828 682 HG3 PRO 92 HG3 PRO 92 -12.254 -4.539 -7.221 683 HD2 PRO 92 HD2 PRO 92 -11.663 -2.994 -4.744 684 HD3 PRO 92 HD3 PRO 92 -12.085 -4.710 -4.959 685 H GLU 93 H GLU 93 -6.996 -2.940 -6.771 686 HA GLU 93 HA GLU 93 -7.228 -0.339 -5.486 687 HB2 GLU 93 HB2 GLU 93 -5.230 -2.499 -4.749 688 HB3 GLU 93 HB3 GLU 93 -5.396 -0.927 -3.982 689 HG2 GLU 93 HG2 GLU 93 -7.267 -1.583 -2.775 690 HG3 GLU 93 HG3 GLU 93 -7.684 -2.849 -3.926 Start of MODEL 15 1 H ASP 14 HT1 ASP 14 2.883 -11.455 -3.528 2 HA ASP 14 HA ASP 14 1.905 -9.376 -2.757 3 HB2 ASP 14 HB2 ASP 14 4.121 -9.121 -4.803 4 HB3 ASP 14 HB3 ASP 14 3.816 -8.031 -3.451 5 H ASN 15 H ASN 15 0.387 -7.911 -3.251 6 HA ASN 15 HA ASN 15 0.352 -6.068 -5.201 7 HB2 ASN 15 HB2 ASN 15 -0.050 -7.895 -6.901 8 HB3 ASN 15 HB3 ASN 15 -1.539 -8.301 -6.056 9 HD21 ASN 15 HD21 ASN 15 -2.856 -7.804 -7.842 10 HD22 ASN 15 HD22 ASN 15 -3.134 -6.234 -8.382 11 H ARG 16 H ARG 16 -1.066 -4.606 -4.654 12 HA ARG 16 HA ARG 16 -2.373 -3.457 -3.189 13 HB2 ARG 16 HB2 ARG 16 -4.418 -5.442 -4.224 14 HB3 ARG 16 HB3 ARG 16 -4.782 -3.885 -3.503 15 HG2 ARG 16 HG2 ARG 16 -3.585 -2.789 -5.379 16 HG3 ARG 16 HG3 ARG 16 -3.342 -4.378 -6.105 17 HD2 ARG 16 HD2 ARG 16 -6.029 -3.117 -5.502 18 HD3 ARG 16 HD3 ARG 16 -5.256 -3.196 -7.088 19 HE ARG 16 HE ARG 16 -5.448 -5.683 -6.851 20 HH11 ARG 16 HH11 ARG 16 -7.806 -3.581 -5.224 21 HH12 ARG 16 HH12 ARG 16 -9.035 -4.778 -5.263 22 HH21 ARG 16 HH21 ARG 16 -7.005 -7.157 -6.883 23 HH22 ARG 16 HH22 ARG 16 -8.581 -6.981 -6.264 24 H HIS 17 H HIS 17 -4.399 -6.180 -2.498 25 HA HIS 17 HA HIS 17 -4.527 -5.684 0.291 26 HB2 HIS 17 HB2 HIS 17 -5.318 -7.979 -1.454 27 HB3 HIS 17 HB3 HIS 17 -5.397 -8.116 0.296 28 HD1 HIS 17 HD1 HIS 17 -7.118 -6.625 1.496 29 HD2 HIS 17 HD2 HIS 17 -7.333 -6.505 -2.638 30 HE1 HIS 17 HE1 HIS 17 -9.370 -5.583 0.947 31 H ALA 18 H ALA 18 -2.606 -7.802 -1.561 32 HA ALA 18 HA ALA 18 -1.732 -9.350 0.498 33 HB1 ALA 18 HB1 ALA 18 -0.262 -8.901 -2.072 34 HB2 ALA 18 HB2 ALA 18 -1.645 -9.979 -1.771 35 HB3 ALA 18 HB3 ALA 18 -0.110 -10.281 -0.954 36 H ALA 19 H ALA 19 -0.913 -6.157 0.079 37 HA ALA 19 HA ALA 19 1.710 -6.006 1.014 38 HB1 ALA 19 HB1 ALA 19 1.217 -3.808 1.705 39 HB2 ALA 19 HB2 ALA 19 -0.512 -4.151 1.742 40 HB3 ALA 19 HB3 ALA 19 0.329 -4.086 0.184 41 H ASP 20 H ASP 20 -1.297 -6.670 2.904 42 HA ASP 20 HA ASP 20 0.224 -6.452 5.390 43 HB2 ASP 20 HB2 ASP 20 -1.816 -6.812 6.586 44 HB3 ASP 20 HB3 ASP 20 -2.284 -5.835 5.203 45 H TYR 21 H TYR 21 -0.915 -8.770 3.215 46 HA TYR 21 HA TYR 21 -0.341 -11.238 4.387 47 HB2 TYR 21 HB2 TYR 21 -1.284 -11.482 2.305 48 HB3 TYR 21 HB3 TYR 21 -0.447 -10.076 1.708 49 HD1 TYR 21 HD1 TYR 21 2.175 -10.527 1.112 50 HD2 TYR 21 HD2 TYR 21 -0.853 -13.527 1.359 51 HE1 TYR 21 HE1 TYR 21 3.396 -11.907 -0.491 52 HE2 TYR 21 HE2 TYR 21 0.394 -14.886 -0.175 53 HH TYR 21 HH TYR 21 3.499 -14.509 -1.086 54 H GLN 22 H GLN 22 1.809 -8.759 3.316 55 HA GLN 22 HA GLN 22 4.250 -10.118 3.293 56 HB2 GLN 22 HB2 GLN 22 4.044 -7.851 2.442 57 HB3 GLN 22 HB3 GLN 22 3.572 -7.260 4.016 58 HG2 GLN 22 HG2 GLN 22 5.869 -6.645 3.481 59 HG3 GLN 22 HG3 GLN 22 5.786 -7.708 4.883 60 HE21 GLN 22 HE21 GLN 22 7.951 -8.232 4.597 61 HE22 GLN 22 HE22 GLN 22 8.475 -9.325 3.365 62 H GLN 23 H GLN 23 2.637 -8.341 5.929 63 HA GLN 23 HA GLN 23 4.503 -9.026 7.896 64 HB2 GLN 23 HB2 GLN 23 1.620 -8.221 8.160 65 HB3 GLN 23 HB3 GLN 23 2.568 -8.650 9.576 66 HG2 GLN 23 HG2 GLN 23 2.557 -6.310 9.329 67 HG3 GLN 23 HG3 GLN 23 4.187 -6.889 8.984 68 HE21 GLN 23 HE21 GLN 23 4.891 -5.362 7.641 69 HE22 GLN 23 HE22 GLN 23 4.161 -4.937 6.130 70 H LEU 24 H LEU 24 1.716 -10.777 6.823 71 HA LEU 24 HA LEU 24 1.552 -12.893 8.672 72 HB2 LEU 24 HB2 LEU 24 -0.016 -12.692 6.837 73 HB3 LEU 24 HB3 LEU 24 1.268 -12.906 5.665 74 HG LEU 24 HG LEU 24 1.546 -15.164 7.018 75 HD11 LEU 24 HD11 LEU 24 -1.365 -14.599 7.288 76 HD12 LEU 24 HD12 LEU 24 -0.176 -14.816 8.574 77 HD13 LEU 24 HD13 LEU 24 -0.593 -16.166 7.523 78 HD21 LEU 24 HD21 LEU 24 1.379 -15.155 4.652 79 HD22 LEU 24 HD22 LEU 24 -0.326 -14.680 4.699 80 HD23 LEU 24 HD23 LEU 24 0.183 -16.271 5.278 81 H ARG 25 H ARG 25 3.259 -12.709 5.671 82 HA ARG 25 HA ARG 25 4.687 -15.049 5.479 83 HB2 ARG 25 HB2 ARG 25 4.051 -13.254 3.908 84 HB3 ARG 25 HB3 ARG 25 5.280 -12.263 4.611 85 HG2 ARG 25 HG2 ARG 25 6.935 -13.946 3.746 86 HG3 ARG 25 HG3 ARG 25 5.559 -14.669 2.865 87 HD2 ARG 25 HD2 ARG 25 5.068 -12.126 2.341 88 HD3 ARG 25 HD3 ARG 25 6.817 -11.994 2.514 89 HE ARG 25 HE ARG 25 6.228 -14.078 0.756 90 HH11 ARG 25 HH11 ARG 25 6.147 -10.473 0.913 91 HH12 ARG 25 HH12 ARG 25 5.782 -10.318 -0.742 92 HH21 ARG 25 HH21 ARG 25 5.676 -13.743 -1.464 93 HH22 ARG 25 HH22 ARG 25 5.532 -12.143 -2.129 94 H GLU 26 H GLU 26 5.694 -11.828 6.713 95 HA GLU 26 HA GLU 26 8.342 -12.469 7.427 96 HB2 GLU 26 HB2 GLU 26 6.532 -10.339 8.582 97 HB3 GLU 26 HB3 GLU 26 8.287 -10.381 8.718 98 HG2 GLU 26 HG2 GLU 26 8.523 -10.123 6.343 99 HG3 GLU 26 HG3 GLU 26 6.782 -10.227 6.127 100 H ARG 27 H ARG 27 5.349 -12.474 9.391 101 HA ARG 27 HA ARG 27 6.677 -13.257 11.753 102 HB2 ARG 27 HB2 ARG 27 4.551 -12.179 11.845 103 HB3 ARG 27 HB3 ARG 27 3.812 -13.498 10.943 104 HG2 ARG 27 HG2 ARG 27 3.475 -13.474 13.325 105 HG3 ARG 27 HG3 ARG 27 4.135 -15.026 12.732 106 HD2 ARG 27 HD2 ARG 27 6.404 -13.941 13.510 107 HD3 ARG 27 HD3 ARG 27 5.372 -12.829 14.414 108 HE ARG 27 HE ARG 27 4.540 -15.414 15.005 109 HH11 ARG 27 HH11 ARG 27 7.502 -13.512 15.454 110 HH12 ARG 27 HH12 ARG 27 7.995 -14.389 16.828 111 HH21 ARG 27 HH21 ARG 27 5.182 -16.598 16.726 112 HH22 ARG 27 HH22 ARG 27 6.600 -16.282 17.620 113 H LEU 28 H LEU 28 5.269 -15.034 9.097 114 HA LEU 28 HA LEU 28 5.235 -17.549 10.360 115 HB2 LEU 28 HB2 LEU 28 5.385 -16.778 7.473 116 HB3 LEU 28 HB3 LEU 28 5.296 -18.449 8.001 117 HG LEU 28 HG LEU 28 3.218 -16.402 8.747 118 HD11 LEU 28 HD11 LEU 28 3.326 -16.597 6.363 119 HD12 LEU 28 HD12 LEU 28 1.880 -17.406 6.983 120 HD13 LEU 28 HD13 LEU 28 3.282 -18.354 6.477 121 HD21 LEU 28 HD21 LEU 28 3.260 -19.406 8.750 122 HD22 LEU 28 HD22 LEU 28 1.872 -18.391 9.112 123 HD23 LEU 28 HD23 LEU 28 3.281 -18.358 10.176 124 H ILE 29 H ILE 29 7.656 -15.933 8.469 125 HA ILE 29 HA ILE 29 9.686 -17.806 8.363 126 HB ILE 29 HB ILE 29 9.643 -14.819 8.755 127 HG12 ILE 29 HG12 ILE 29 10.455 -16.522 6.393 128 HG13 ILE 29 HG11 ILE 29 8.902 -15.721 6.594 129 HG21 ILE 29 HG21 ILE 29 11.614 -15.518 9.832 130 HG22 ILE 29 HG22 ILE 29 12.027 -14.707 8.309 131 HG23 ILE 29 HG23 ILE 29 12.120 -16.479 8.434 132 HD11 ILE 29 HD11 ILE 29 10.341 -14.492 5.077 133 HD12 ILE 29 HD12 ILE 29 11.578 -14.367 6.327 134 HD13 ILE 29 HD13 ILE 29 10.032 -13.547 6.535 135 H GLN 30 H GLN 30 8.927 -15.592 11.013 136 HA GLN 30 HA GLN 30 10.961 -16.591 12.777 137 HB2 GLN 30 HB2 GLN 30 8.498 -14.967 13.330 138 HB3 GLN 30 HB3 GLN 30 9.835 -15.203 14.461 139 HG2 GLN 30 HG2 GLN 30 11.280 -13.984 12.887 140 HG3 GLN 30 HG3 GLN 30 9.885 -13.745 11.829 141 HE21 GLN 30 HE21 GLN 30 11.516 -11.776 13.189 142 HE22 GLN 30 HE22 GLN 30 10.435 -10.851 14.173 143 H GLU 31 H GLU 31 7.523 -17.032 12.399 144 HA GLU 31 HA GLU 31 6.842 -18.352 14.771 145 HB2 GLU 31 HB2 GLU 31 5.399 -17.184 13.002 146 HB3 GLU 31 HB3 GLU 31 5.487 -18.692 12.113 147 HG2 GLU 31 HG2 GLU 31 3.425 -18.567 13.324 148 HG3 GLU 31 HG3 GLU 31 4.439 -19.839 14.008 149 H LEU 32 H LEU 32 7.880 -19.559 11.620 150 HA LEU 32 HA LEU 32 7.477 -22.338 12.377 151 HB2 LEU 32 HB2 LEU 32 8.669 -21.201 9.869 152 HB3 LEU 32 HB3 LEU 32 8.084 -22.830 10.116 153 HG LEU 32 HG LEU 32 6.377 -20.343 10.035 154 HD11 LEU 32 HD11 LEU 32 6.745 -22.549 8.071 155 HD12 LEU 32 HD12 LEU 32 7.376 -20.909 7.935 156 HD13 LEU 32 HD13 LEU 32 5.621 -21.190 7.905 157 HD21 LEU 32 HD21 LEU 32 5.350 -22.054 11.447 158 HD22 LEU 32 HD22 LEU 32 5.574 -23.250 10.163 159 HD23 LEU 32 HD23 LEU 32 4.491 -21.880 9.912 160 H ASN 33 H ASN 33 9.771 -20.107 13.030 161 HA ASN 33 HA ASN 33 11.980 -20.046 13.579 162 HB2 ASN 33 HB2 ASN 33 11.223 -22.106 14.930 163 HB3 ASN 33 HB3 ASN 33 11.858 -23.092 13.627 164 HD21 ASN 33 HD21 ASN 33 14.096 -23.206 13.367 165 HD22 ASN 33 HD22 ASN 33 15.207 -22.741 14.622 166 H LEU 34 H LEU 34 11.436 -19.728 10.999 167 HA LEU 34 HA LEU 34 13.495 -21.225 9.565 168 HB2 LEU 34 HB2 LEU 34 10.769 -20.353 8.682 169 HB3 LEU 34 HB3 LEU 34 12.003 -20.701 7.505 170 HG LEU 34 HG LEU 34 10.748 -22.595 9.504 171 HD11 LEU 34 HD11 LEU 34 9.973 -23.769 7.510 172 HD12 LEU 34 HD12 LEU 34 10.699 -22.520 6.496 173 HD13 LEU 34 HD13 LEU 34 9.366 -22.114 7.578 174 HD21 LEU 34 HD21 LEU 34 12.127 -24.359 8.444 175 HD22 LEU 34 HD22 LEU 34 13.089 -23.180 9.324 176 HD23 LEU 34 HD23 LEU 34 13.009 -23.108 7.565 177 H THR 35 H THR 35 13.854 -19.938 7.381 178 HA THR 35 HA THR 35 14.262 -17.118 8.029 179 HB THR 35 HB THR 35 16.405 -17.297 6.714 180 HG1 THR 35 HG1 THR 35 16.813 -19.903 6.846 181 HG21 THR 35 HG21 THR 35 17.729 -18.509 8.394 182 HG22 THR 35 HG22 THR 35 16.252 -19.246 9.017 183 HG23 THR 35 HG23 THR 35 16.500 -17.507 9.174 184 HA PRO 36 HA PRO 36 12.197 -16.365 4.128 185 HB2 PRO 36 HB2 PRO 36 13.947 -14.687 2.773 186 HB3 PRO 36 HB3 PRO 36 12.806 -14.149 4.022 187 HG2 PRO 36 HG2 PRO 36 15.704 -14.759 4.281 188 HG3 PRO 36 HG3 PRO 36 14.754 -13.448 5.012 189 HD2 PRO 36 HD2 PRO 36 15.449 -15.556 6.457 190 HD3 PRO 36 HD3 PRO 36 13.848 -14.818 6.639 191 H GLN 37 H GLN 37 15.354 -17.735 4.089 192 HA GLN 37 HA GLN 37 15.114 -18.509 1.267 193 HB2 GLN 37 HB2 GLN 37 17.452 -18.749 3.173 194 HB3 GLN 37 HB3 GLN 37 17.466 -19.305 1.507 195 HG2 GLN 37 HG2 GLN 37 17.149 -17.018 0.727 196 HG3 GLN 37 HG3 GLN 37 17.084 -16.451 2.394 197 HE21 GLN 37 HE21 GLN 37 18.864 -15.097 2.080 198 HE22 GLN 37 HE22 GLN 37 20.466 -15.744 1.939 199 H GLN 38 H GLN 38 14.004 -19.577 3.988 200 HA GLN 38 HA GLN 38 14.167 -22.379 3.118 201 HB2 GLN 38 HB2 GLN 38 13.880 -21.289 5.928 202 HB3 GLN 38 HB3 GLN 38 13.632 -22.978 5.502 203 HG2 GLN 38 HG2 GLN 38 16.199 -21.478 5.054 204 HG3 GLN 38 HG3 GLN 38 15.861 -22.480 6.464 205 HE21 GLN 38 HE21 GLN 38 16.424 -22.510 2.985 206 HE22 GLN 38 HE22 GLN 38 16.776 -24.197 2.919 207 H LEU 39 H LEU 39 12.235 -19.807 4.537 208 HA LEU 39 HA LEU 39 9.867 -21.289 3.858 209 HB2 LEU 39 HB2 LEU 39 10.067 -20.116 6.106 210 HB3 LEU 39 HB3 LEU 39 10.107 -18.606 5.238 211 HG LEU 39 HG LEU 39 7.928 -19.315 6.377 212 HD11 LEU 39 HD11 LEU 39 8.037 -17.447 4.855 213 HD12 LEU 39 HD12 LEU 39 6.529 -18.346 4.630 214 HD13 LEU 39 HD13 LEU 39 7.860 -18.536 3.479 215 HD21 LEU 39 HD21 LEU 39 7.778 -21.023 3.924 216 HD22 LEU 39 HD22 LEU 39 6.464 -20.743 5.074 217 HD23 LEU 39 HD23 LEU 39 7.927 -21.600 5.583 218 H HIS 40 H HIS 40 10.239 -21.213 1.716 219 HA HIS 40 HA HIS 40 9.888 -18.666 0.387 220 HB2 HIS 40 HB2 HIS 40 10.084 -19.895 -1.767 221 HB3 HIS 40 HB3 HIS 40 11.416 -20.226 -0.679 222 HD1 HIS 40 HD1 HIS 40 8.959 -21.874 -2.777 223 HD2 HIS 40 HD2 HIS 40 11.296 -22.865 0.516 224 HE1 HIS 40 HE1 HIS 40 9.042 -24.409 -2.688 225 H GLU 41 H GLU 41 8.172 -18.579 -1.379 226 HA GLU 41 HA GLU 41 5.729 -18.427 -0.075 227 HB2 GLU 41 HB2 GLU 41 6.294 -18.448 -3.026 228 HB3 GLU 41 HB3 GLU 41 4.834 -17.842 -2.258 229 HG2 GLU 41 HG2 GLU 41 7.602 -16.746 -1.838 230 HG3 GLU 41 HG3 GLU 41 6.365 -16.046 -2.882 231 H GLU 42 H GLU 42 6.997 -20.922 -2.169 232 HA GLU 42 HA GLU 42 4.488 -22.254 -2.520 233 HB2 GLU 42 HB2 GLU 42 7.276 -23.224 -3.175 234 HB3 GLU 42 HB3 GLU 42 5.783 -23.949 -3.730 235 HG2 GLU 42 HG2 GLU 42 6.786 -22.694 -5.527 236 HG3 GLU 42 HG3 GLU 42 5.308 -21.880 -5.022 237 H SER 43 H SER 43 6.733 -22.232 0.011 238 HA SER 43 HA SER 43 6.771 -24.903 0.849 239 HB2 SER 43 HB2 SER 43 6.635 -22.516 2.680 240 HB3 SER 43 HB3 SER 43 7.387 -24.077 2.997 241 HG SER 43 HG SER 43 8.213 -21.936 1.483 242 H ASN 44 H ASN 44 5.178 -26.182 1.583 243 HA ASN 44 HA ASN 44 2.552 -25.218 2.252 244 HB2 ASN 44 HB2 ASN 44 3.296 -27.819 1.651 245 HB3 ASN 44 HB3 ASN 44 3.725 -27.737 3.282 246 HD21 ASN 44 HD21 ASN 44 1.470 -29.141 1.800 247 HD22 ASN 44 HD22 ASN 44 0.132 -28.889 2.864 248 H LEU 45 H LEU 45 2.127 -24.208 4.094 249 HA LEU 45 HA LEU 45 4.225 -23.737 5.935 250 HB2 LEU 45 HB2 LEU 45 1.313 -23.128 6.293 251 HB3 LEU 45 HB3 LEU 45 2.636 -22.471 7.236 252 HG LEU 45 HG LEU 45 2.066 -21.988 4.342 253 HD11 LEU 45 HD11 LEU 45 1.741 -19.655 5.137 254 HD12 LEU 45 HD12 LEU 45 1.981 -20.255 6.788 255 HD13 LEU 45 HD13 LEU 45 0.587 -20.798 5.848 256 HD21 LEU 45 HD21 LEU 45 4.313 -20.928 6.057 257 HD22 LEU 45 HD22 LEU 45 3.943 -20.357 4.433 258 HD23 LEU 45 HD23 LEU 45 4.480 -22.025 4.690 259 H ILE 46 H ILE 46 1.498 -25.866 5.986 260 HA ILE 46 HA ILE 46 1.686 -26.592 8.732 261 HB ILE 46 HB ILE 46 0.608 -28.258 6.426 262 HG12 ILE 46 HG12 ILE 46 -0.797 -26.338 8.305 263 HG13 ILE 46 HG11 ILE 46 -0.485 -26.079 6.593 264 HG21 ILE 46 HG21 ILE 46 1.046 -29.617 8.418 265 HG22 ILE 46 HG22 ILE 46 -0.689 -29.445 8.154 266 HG23 ILE 46 HG23 ILE 46 0.111 -28.492 9.403 267 HD11 ILE 46 HD11 ILE 46 -2.278 -28.203 7.764 268 HD12 ILE 46 HD12 ILE 46 -1.973 -27.944 6.047 269 HD13 ILE 46 HD13 ILE 46 -2.802 -26.706 6.991 270 H GLN 47 H GLN 47 3.185 -27.714 5.835 271 HA GLN 47 HA GLN 47 4.582 -29.940 7.005 272 HB2 GLN 47 HB2 GLN 47 4.904 -28.481 4.412 273 HB3 GLN 47 HB3 GLN 47 5.790 -29.905 4.684 274 HG2 GLN 47 HG2 GLN 47 2.808 -29.664 4.439 275 HG3 GLN 47 HG3 GLN 47 3.923 -30.492 3.357 276 HE21 GLN 47 HE21 GLN 47 4.775 -32.507 4.002 277 HE22 GLN 47 HE22 GLN 47 4.015 -33.417 5.265 278 H ALA 48 H ALA 48 4.970 -26.631 7.103 279 HA ALA 48 HA ALA 48 7.868 -26.745 7.453 280 HB1 ALA 48 HB1 ALA 48 7.049 -25.109 5.820 281 HB2 ALA 48 HB2 ALA 48 7.812 -24.303 7.189 282 HB3 ALA 48 HB3 ALA 48 6.055 -24.353 7.060 283 H GLY 49 H GLY 49 5.263 -27.170 9.338 284 HA2 GLY 49 HA2 GLY 49 5.719 -27.447 11.706 285 HA3 GLY 49 HA3 GLY 49 6.692 -25.991 11.634 286 H LEU 50 H LEU 50 3.847 -25.572 9.899 287 HA LEU 50 HA LEU 50 2.692 -23.923 12.038 288 HB2 LEU 50 HB2 LEU 50 2.832 -23.288 9.536 289 HB3 LEU 50 HB3 LEU 50 1.557 -24.457 9.301 290 HG LEU 50 HG LEU 50 0.249 -23.092 11.039 291 HD11 LEU 50 HD11 LEU 50 2.348 -21.090 10.265 292 HD12 LEU 50 HD12 LEU 50 2.099 -21.786 11.866 293 HD13 LEU 50 HD13 LEU 50 0.870 -20.736 11.153 294 HD21 LEU 50 HD21 LEU 50 -0.556 -21.551 9.328 295 HD22 LEU 50 HD22 LEU 50 -0.309 -23.163 8.656 296 HD23 LEU 50 HD23 LEU 50 0.867 -21.886 8.344 297 H ASP 51 H ASP 51 1.567 -24.981 13.536 298 HA ASP 51 HA ASP 51 0.176 -27.359 13.041 299 HB2 ASP 51 HB2 ASP 51 -0.927 -26.765 15.283 300 HB3 ASP 51 HB3 ASP 51 0.822 -26.945 15.308 301 HA 4HH 52 HA 4HH 52 -3.296 -25.597 11.394 302 H 4HH 52 H 4HH 52 -2.341 -27.341 13.543 303 HB3 4HH 52 HB3 4HH 52 -3.836 -28.058 11.199 304 HB2 4HH 52 HB2 4HH 52 -5.264 -27.050 11.420 305 HJ3 4HH 52 HJ3 4HH 52 -8.029 -27.688 14.307 306 HJ2 4HH 52 HJ2 4HH 52 -8.756 -28.907 13.279 307 HL13 4HH 52 HL13 4HH 52 -8.879 -27.174 10.615 308 HL12 4HH 52 HL12 4HH 52 -10.372 -28.006 11.236 309 HL11 4HH 52 HL11 4HH 52 -10.311 -26.303 11.020 310 HL21 4HH 52 HL21 4HH 52 -7.834 -25.392 12.166 311 HL23 4HH 52 HL23 4HH 52 -9.459 -24.845 12.329 312 HL22 4HH 52 HL22 4HH 52 -8.613 -25.108 13.795 313 HL3 4HH 52 HL3 4HH 52 -11.139 -27.795 13.580 314 HM 4HH 52 HM 4HH 52 -9.988 -25.581 14.997 315 HN 4HH 52 HN 4HH 52 -11.261 -23.954 13.757 316 HO2 4HH 52 HO2 4HH 52 -13.633 -25.460 14.471 317 HO3 4HH 52 HO3 4HH 52 -12.618 -24.867 15.814 318 HP3 4HH 52 HP3 4HH 52 -13.226 -22.608 14.990 319 HP2 4HH 52 HP2 4HH 52 -14.713 -23.575 15.172 320 HS2 4HH 52 HS2 4HH 52 -13.255 -20.493 13.404 321 HS3 4HH 52 HS3 4HH 52 -14.599 -20.845 12.249 322 HT3 4HH 52 HT3 4HH 52 -13.286 -19.227 11.185 323 HT2 4HH 52 HT2 4HH 52 -12.977 -20.768 10.385 324 HR 4HH 52 HR 4HH 52 -12.513 -22.708 12.054 325 HU 4HH 52 HU 4HH 52 -11.000 -19.107 12.621 326 H ILE 53 H ILE 53 -3.002 -25.754 14.515 327 HA ILE 53 HA ILE 53 -5.364 -24.332 15.227 328 HB ILE 53 HB ILE 53 -2.781 -24.543 16.785 329 HG12 ILE 53 HG12 ILE 53 -3.621 -26.785 16.337 330 HG13 ILE 53 HG11 ILE 53 -3.910 -26.358 18.020 331 HG21 ILE 53 HG21 ILE 53 -4.249 -24.059 18.742 332 HG22 ILE 53 HG22 ILE 53 -5.631 -23.915 17.657 333 HG23 ILE 53 HG23 ILE 53 -4.310 -22.751 17.561 334 HD11 ILE 53 HD11 ILE 53 -5.801 -27.564 17.078 335 HD12 ILE 53 HD12 ILE 53 -5.978 -26.336 15.828 336 HD13 ILE 53 HD13 ILE 53 -6.259 -25.917 17.519 337 H ARG 54 H ARG 54 -1.917 -23.618 14.642 338 HA ARG 54 HA ARG 54 -2.043 -20.818 14.679 339 HB2 ARG 54 HB2 ARG 54 -0.240 -22.776 13.462 340 HB3 ARG 54 HB3 ARG 54 -0.166 -21.096 12.948 341 HG2 ARG 54 HG2 ARG 54 0.141 -20.450 15.285 342 HG3 ARG 54 HG3 ARG 54 0.199 -22.178 15.700 343 HD2 ARG 54 HD2 ARG 54 1.956 -22.502 14.126 344 HD3 ARG 54 HD3 ARG 54 1.784 -20.789 13.706 345 HE ARG 54 HE ARG 54 2.796 -20.190 15.781 346 HH11 ARG 54 HH11 ARG 54 2.748 -23.690 15.566 347 HH12 ARG 54 HH12 ARG 54 4.350 -23.917 16.092 348 HH21 ARG 54 HH21 ARG 54 4.911 -20.402 16.529 349 HH22 ARG 54 HH22 ARG 54 5.683 -21.922 16.703 350 H LEU 55 H LEU 55 -2.512 -23.117 12.054 351 HA LEU 55 HA LEU 55 -2.909 -21.390 9.875 352 HB2 LEU 55 HB2 LEU 55 -2.874 -23.965 9.986 353 HB3 LEU 55 HB3 LEU 55 -4.532 -23.876 10.505 354 HG LEU 55 HG LEU 55 -4.590 -24.519 8.270 355 HD11 LEU 55 HD11 LEU 55 -6.245 -22.864 8.677 356 HD12 LEU 55 HD12 LEU 55 -5.672 -22.832 7.007 357 HD13 LEU 55 HD13 LEU 55 -5.119 -21.601 8.152 358 HD21 LEU 55 HD21 LEU 55 -2.353 -24.064 7.631 359 HD22 LEU 55 HD22 LEU 55 -2.693 -22.318 7.562 360 HD23 LEU 55 HD23 LEU 55 -3.514 -23.447 6.452 361 H MET 56 H MET 56 -5.325 -22.672 12.145 362 HA MET 56 HA MET 56 -7.452 -21.101 11.194 363 HB2 MET 56 HB2 MET 56 -7.782 -23.088 12.533 364 HB3 MET 56 HB3 MET 56 -7.042 -22.286 13.910 365 HG2 MET 56 HG2 MET 56 -8.934 -20.501 13.489 366 HG3 MET 56 HG3 MET 56 -9.723 -21.842 12.668 367 HE1 MET 56 HE1 MET 56 -7.348 -22.260 15.757 368 HE2 MET 56 HE2 MET 56 -8.406 -21.534 16.996 369 HE3 MET 56 HE3 MET 56 -7.889 -20.610 15.552 370 H ARG 57 H ARG 57 -5.106 -20.544 13.774 371 HA ARG 57 HA ARG 57 -6.182 -18.303 14.878 372 HB2 ARG 57 HB2 ARG 57 -3.382 -19.067 14.456 373 HB3 ARG 57 HB3 ARG 57 -3.773 -17.593 15.334 374 HG2 ARG 57 HG2 ARG 57 -5.048 -18.962 16.956 375 HG3 ARG 57 HG3 ARG 57 -4.547 -20.416 16.075 376 HD2 ARG 57 HD2 ARG 57 -2.224 -19.688 16.352 377 HD3 ARG 57 HD3 ARG 57 -2.885 -18.363 17.320 378 HE ARG 57 HE ARG 57 -3.475 -19.881 19.030 379 HH11 ARG 57 HH11 ARG 57 -1.739 -21.599 16.446 380 HH12 ARG 57 HH12 ARG 57 -1.154 -22.863 17.361 381 HH21 ARG 57 HH21 ARG 57 -2.598 -21.654 20.441 382 HH22 ARG 57 HH22 ARG 57 -1.628 -22.858 19.732 383 H TRP 58 H TRP 58 -4.121 -18.753 12.034 384 HA TRP 58 HA TRP 58 -3.714 -16.066 11.329 385 HB2 TRP 58 HB2 TRP 58 -3.419 -18.653 9.872 386 HB3 TRP 58 HB3 TRP 58 -3.192 -17.164 8.991 387 HD1 TRP 58 HD1 TRP 58 -1.172 -19.653 10.379 388 HE1 TRP 58 HE1 TRP 58 1.100 -18.761 11.266 389 HE3 TRP 58 HE3 TRP 58 -2.275 -14.667 10.671 390 HZ2 TRP 58 HZ2 TRP 58 2.255 -16.273 11.968 391 HZ3 TRP 58 HZ3 TRP 58 -0.548 -13.115 11.454 392 HH2 TRP 58 HH2 TRP 58 1.664 -13.904 12.091 393 H LEU 59 H LEU 59 -6.183 -18.392 10.433 394 HA LEU 59 HA LEU 59 -7.427 -16.805 8.464 395 HB2 LEU 59 HB2 LEU 59 -7.878 -19.297 9.074 396 HB3 LEU 59 HB3 LEU 59 -8.948 -18.669 10.300 397 HG LEU 59 HG LEU 59 -10.083 -19.450 8.214 398 HD11 LEU 59 HD11 LEU 59 -11.602 -17.640 7.991 399 HD12 LEU 59 HD12 LEU 59 -10.452 -16.567 8.786 400 HD13 LEU 59 HD13 LEU 59 -11.201 -17.887 9.705 401 HD21 LEU 59 HD21 LEU 59 -8.415 -18.670 6.624 402 HD22 LEU 59 HD22 LEU 59 -8.868 -16.996 6.980 403 HD23 LEU 59 HD23 LEU 59 -10.033 -18.091 6.243 404 H HIS 60 H HIS 60 -7.735 -16.966 11.897 405 HA HIS 60 HA HIS 60 -9.773 -15.076 12.264 406 HB2 HIS 60 HB2 HIS 60 -7.496 -16.004 13.981 407 HB3 HIS 60 HB3 HIS 60 -8.532 -14.686 14.511 408 HD1 HIS 60 HD1 HIS 60 -8.658 -18.393 13.763 409 HD2 HIS 60 HD2 HIS 60 -10.836 -15.323 15.378 410 HE1 HIS 60 HE1 HIS 60 -10.615 -19.522 14.926 411 H TRP 61 H TRP 61 -6.267 -14.749 12.111 412 HA TRP 61 HA TRP 61 -6.081 -12.014 12.511 413 HB2 TRP 61 HB2 TRP 61 -4.126 -13.544 12.498 414 HB3 TRP 61 HB3 TRP 61 -4.327 -13.775 10.771 415 HD1 TRP 61 HD1 TRP 61 -3.083 -11.159 13.323 416 HE1 TRP 61 HE1 TRP 61 -1.552 -9.459 12.047 417 HE3 TRP 61 HE3 TRP 61 -3.848 -12.723 8.523 418 HZ2 TRP 61 HZ2 TRP 61 -0.812 -8.891 9.407 419 HZ3 TRP 61 HZ3 TRP 61 -2.684 -11.544 6.705 420 HH2 TRP 61 HH2 TRP 61 -1.208 -9.684 7.151 421 H PHE 62 H PHE 62 -6.538 -13.864 9.528 422 HA PHE 62 HA PHE 62 -6.647 -11.721 7.730 423 HB2 PHE 62 HB2 PHE 62 -7.956 -14.438 7.564 424 HB3 PHE 62 HB3 PHE 62 -7.931 -13.304 6.230 425 HD1 PHE 62 HD2 PHE 62 -5.207 -12.288 6.377 426 HD2 PHE 62 HD1 PHE 62 -6.680 -16.220 6.873 427 HE1 PHE 62 HE2 PHE 62 -3.006 -13.222 5.679 428 HE2 PHE 62 HE1 PHE 62 -4.510 -17.143 6.197 429 HZ PHE 62 HZ PHE 62 -2.677 -15.642 5.597 430 H ARG 63 H ARG 63 -9.347 -13.367 9.380 431 HA ARG 63 HA ARG 63 -11.466 -11.877 8.226 432 HB2 ARG 63 HB2 ARG 63 -11.386 -12.951 11.053 433 HB3 ARG 63 HB3 ARG 63 -12.826 -12.488 10.169 434 HG2 ARG 63 HG2 ARG 63 -10.989 -14.772 9.551 435 HG3 ARG 63 HG3 ARG 63 -12.597 -14.883 10.262 436 HD2 ARG 63 HD2 ARG 63 -11.912 -13.887 7.506 437 HD3 ARG 63 HD3 ARG 63 -12.632 -15.445 7.910 438 HE ARG 63 HE ARG 63 -14.096 -13.130 8.809 439 HH11 ARG 63 HH11 ARG 63 -13.747 -15.524 6.230 440 HH12 ARG 63 HH12 ARG 63 -15.281 -15.284 5.550 441 HH21 ARG 63 HH21 ARG 63 -16.242 -12.755 7.883 442 HH22 ARG 63 HH22 ARG 63 -16.764 -13.639 6.532 443 H LYS 64 H LYS 64 -9.477 -11.314 10.946 444 HA LYS 64 HA LYS 64 -10.774 -9.053 12.078 445 HB2 LYS 64 HB2 LYS 64 -9.320 -10.751 13.136 446 HB3 LYS 64 HB3 LYS 64 -7.969 -10.066 12.271 447 HG2 LYS 64 HG2 LYS 64 -8.387 -7.939 13.514 448 HG3 LYS 64 HG3 LYS 64 -9.561 -8.837 14.493 449 HD2 LYS 64 HD2 LYS 64 -7.660 -9.150 15.749 450 HD3 LYS 64 HD3 LYS 64 -7.645 -10.569 14.713 451 HE2 LYS 64 HE2 LYS 64 -5.990 -8.032 14.376 452 HE3 LYS 64 HE3 LYS 64 -5.391 -9.637 14.751 453 HZ1 LYS 64 HZ1 LYS 64 -4.938 -9.165 12.427 454 HZ2 LYS 64 HZ2 LYS 64 -6.462 -8.658 12.136 455 HZ3 LYS 64 HZ3 LYS 64 -6.196 -10.278 12.392 456 H ASN 65 H ASN 65 -8.754 -9.488 9.346 457 HA ASN 65 HA ASN 65 -7.911 -6.683 9.299 458 HB2 ASN 65 HB2 ASN 65 -6.890 -9.158 7.911 459 HB3 ASN 65 HB3 ASN 65 -6.521 -7.562 7.274 460 HD21 ASN 65 HD21 ASN 65 -4.309 -8.050 7.595 461 HD22 ASN 65 HD22 ASN 65 -3.593 -7.937 9.141 462 H GLY 66 H GLY 66 -10.435 -8.490 8.402 463 HA2 GLY 66 HA2 GLY 66 -12.221 -7.648 7.129 464 HA3 GLY 66 HA3 GLY 66 -11.084 -6.660 6.226 465 H TYR 67 H TYR 67 -9.866 -9.767 6.470 466 HA TYR 67 HA TYR 67 -10.475 -10.166 3.724 467 HB2 TYR 67 HB2 TYR 67 -8.722 -11.654 5.619 468 HB3 TYR 67 HB3 TYR 67 -9.041 -12.275 3.987 469 HD1 TYR 67 HD1 TYR 67 -8.268 -11.053 2.048 470 HD2 TYR 67 HD2 TYR 67 -7.418 -9.714 5.974 471 HE1 TYR 67 HE1 TYR 67 -6.645 -9.470 1.136 472 HE2 TYR 67 HE2 TYR 67 -5.801 -8.096 5.075 473 HH TYR 67 HH TYR 67 -4.440 -7.848 3.073 474 H ARG 68 H ARG 68 -11.835 -11.222 2.845 475 HA ARG 68 HA ARG 68 -13.945 -12.567 4.319 476 HB2 ARG 68 HB2 ARG 68 -13.613 -12.168 1.327 477 HB3 ARG 68 HB3 ARG 68 -15.111 -12.424 2.218 478 HG2 ARG 68 HG2 ARG 68 -15.089 -10.285 3.111 479 HG3 ARG 68 HG3 ARG 68 -13.390 -10.030 2.709 480 HD2 ARG 68 HD2 ARG 68 -14.071 -10.141 0.278 481 HD3 ARG 68 HD3 ARG 68 -15.751 -10.112 0.825 482 HE ARG 68 HE ARG 68 -15.175 -7.983 1.941 483 HH11 ARG 68 HH11 ARG 68 -13.482 -8.941 -1.072 484 HH12 ARG 68 HH12 ARG 68 -12.849 -7.413 -1.367 485 HH21 ARG 68 HH21 ARG 68 -14.322 -5.806 1.431 486 HH22 ARG 68 HH22 ARG 68 -13.372 -5.598 0.033 487 H LEU 69 H LEU 69 -11.822 -14.069 4.738 488 HA LEU 69 HA LEU 69 -11.641 -16.173 2.691 489 HB2 LEU 69 HB2 LEU 69 -9.812 -15.337 4.929 490 HB3 LEU 69 HB3 LEU 69 -9.625 -16.860 4.090 491 HG LEU 69 HG LEU 69 -9.525 -14.194 2.672 492 HD11 LEU 69 HD11 LEU 69 -7.105 -14.454 2.696 493 HD12 LEU 69 HD12 LEU 69 -7.251 -15.905 3.686 494 HD13 LEU 69 HD13 LEU 69 -7.720 -14.337 4.342 495 HD21 LEU 69 HD21 LEU 69 -8.447 -15.503 0.950 496 HD22 LEU 69 HD22 LEU 69 -10.050 -16.145 1.301 497 HD23 LEU 69 HD23 LEU 69 -8.614 -16.963 1.923 498 H THR 70 H THR 70 -12.216 -18.220 3.182 499 HA THR 70 HA THR 70 -13.227 -18.616 5.875 500 HB THR 70 HB THR 70 -14.351 -20.625 4.980 501 HG1 THR 70 HG1 THR 70 -13.258 -19.793 2.479 502 HG21 THR 70 HG21 THR 70 -15.986 -19.516 3.515 503 HG22 THR 70 HG22 THR 70 -14.875 -18.161 3.310 504 HG23 THR 70 HG23 THR 70 -15.566 -18.502 4.896 505 H LEU 71 H LEU 71 -12.576 -20.453 7.026 506 HA LEU 71 HA LEU 71 -9.807 -20.923 7.030 507 HB2 LEU 71 HB2 LEU 71 -11.299 -21.053 8.979 508 HB3 LEU 71 HB3 LEU 71 -12.028 -22.492 8.311 509 HG LEU 71 HG LEU 71 -9.851 -23.644 8.515 510 HD11 LEU 71 HD11 LEU 71 -8.147 -22.654 9.967 511 HD12 LEU 71 HD12 LEU 71 -9.056 -21.157 10.004 512 HD13 LEU 71 HD13 LEU 71 -8.349 -21.726 8.477 513 HD21 LEU 71 HD21 LEU 71 -9.896 -23.848 10.900 514 HD22 LEU 71 HD22 LEU 71 -11.527 -23.917 10.217 515 HD23 LEU 71 HD23 LEU 71 -10.952 -22.450 11.037 516 H ARG 72 H ARG 72 -12.307 -22.484 5.301 517 HA ARG 72 HA ARG 72 -10.943 -24.990 5.150 518 HB2 ARG 72 HB2 ARG 72 -13.298 -24.071 3.538 519 HB3 ARG 72 HB3 ARG 72 -12.789 -25.745 3.756 520 HG2 ARG 72 HG2 ARG 72 -13.852 -23.853 5.824 521 HG3 ARG 72 HG3 ARG 72 -14.732 -25.220 5.115 522 HD2 ARG 72 HD2 ARG 72 -13.181 -26.734 6.080 523 HD3 ARG 72 HD3 ARG 72 -12.185 -25.379 6.631 524 HE ARG 72 HE ARG 72 -14.920 -25.474 7.630 525 HH11 ARG 72 HH11 ARG 72 -11.523 -26.279 8.398 526 HH12 ARG 72 HH12 ARG 72 -11.780 -26.157 10.087 527 HH21 ARG 72 HH21 ARG 72 -15.156 -25.313 10.066 528 HH22 ARG 72 HH22 ARG 72 -13.764 -25.624 10.983 529 H GLU 73 H GLU 73 -11.136 -22.063 3.244 530 HA GLU 73 HA GLU 73 -10.091 -23.044 0.811 531 HB2 GLU 73 HB2 GLU 73 -10.006 -20.288 2.049 532 HB3 GLU 73 HB3 GLU 73 -9.496 -20.646 0.409 533 HG2 GLU 73 HG2 GLU 73 -11.721 -21.247 -0.216 534 HG3 GLU 73 HG3 GLU 73 -12.269 -21.141 1.456 535 H LEU 74 H LEU 74 -8.630 -21.731 3.735 536 HA LEU 74 HA LEU 74 -6.022 -21.518 2.667 537 HB2 LEU 74 HB2 LEU 74 -6.714 -21.922 5.544 538 HB3 LEU 74 HB3 LEU 74 -5.196 -21.331 4.917 539 HG LEU 74 HG LEU 74 -7.809 -19.984 5.221 540 HD11 LEU 74 HD11 LEU 74 -4.982 -19.286 5.830 541 HD12 LEU 74 HD12 LEU 74 -6.178 -19.872 7.005 542 HD13 LEU 74 HD13 LEU 74 -6.362 -18.275 6.248 543 HD21 LEU 74 HD21 LEU 74 -7.034 -18.081 3.968 544 HD22 LEU 74 HD22 LEU 74 -7.186 -19.496 2.915 545 HD23 LEU 74 HD23 LEU 74 -5.581 -18.960 3.468 546 H TYR 75 H TYR 75 -7.725 -24.050 4.346 547 HA TYR 75 HA TYR 75 -5.461 -25.701 4.767 548 HB2 TYR 75 HB2 TYR 75 -8.379 -26.034 5.139 549 HB3 TYR 75 HB3 TYR 75 -7.387 -27.520 5.044 550 HD1 TYR 75 HD2 TYR 75 -5.229 -27.143 6.502 551 HD2 TYR 75 HD1 TYR 75 -8.998 -25.352 6.977 552 HE1 TYR 75 HE2 TYR 75 -4.763 -26.846 8.910 553 HE2 TYR 75 HE1 TYR 75 -8.591 -25.034 9.351 554 HH TYR 75 HH TYR 75 -6.998 -26.254 11.098 555 H ALA 76 H ALA 76 -7.437 -25.163 2.049 556 HA ALA 76 HA ALA 76 -7.012 -27.699 0.895 557 HB1 ALA 76 HB1 ALA 76 -7.855 -25.118 -0.421 558 HB2 ALA 76 HB2 ALA 76 -8.929 -26.314 0.302 559 HB3 ALA 76 HB3 ALA 76 -7.989 -26.729 -1.137 560 H ALA 77 H ALA 77 -5.333 -24.669 0.900 561 HA ALA 77 HA ALA 77 -3.008 -25.921 -0.224 562 HB1 ALA 77 HB1 ALA 77 -2.641 -24.240 -1.973 563 HB2 ALA 77 HB2 ALA 77 -4.189 -23.489 -1.587 564 HB3 ALA 77 HB3 ALA 77 -4.146 -25.119 -2.260 565 HA PRO 78 HA PRO 78 -2.185 -22.773 2.976 566 HB2 PRO 78 HB2 PRO 78 -0.596 -24.601 4.463 567 HB3 PRO 78 HB3 PRO 78 -2.243 -24.069 4.852 568 HG2 PRO 78 HG2 PRO 78 -1.525 -26.645 4.121 569 HG3 PRO 78 HG3 PRO 78 -3.170 -25.980 4.122 570 HD2 PRO 78 HD2 PRO 78 -1.310 -26.400 1.845 571 HD3 PRO 78 HD3 PRO 78 -3.085 -26.476 1.898 572 H THR 79 H THR 79 -0.939 -21.787 1.385 573 HA THR 79 HA THR 79 1.932 -22.076 1.693 574 HB THR 79 HB THR 79 2.198 -21.910 -0.811 575 HG1 THR 79 HG1 THR 79 -0.552 -22.619 -0.810 576 HG21 THR 79 HG21 THR 79 2.499 -24.109 0.240 577 HG22 THR 79 HG22 THR 79 1.728 -24.290 -1.343 578 HG23 THR 79 HG23 THR 79 0.762 -24.391 0.135 579 H LEU 80 H LEU 80 2.928 -20.056 1.101 580 HA LEU 80 HA LEU 80 1.233 -17.809 1.444 581 HB2 LEU 80 HB2 LEU 80 4.066 -18.350 1.374 582 HB3 LEU 80 HB3 LEU 80 3.693 -16.906 0.451 583 HG LEU 80 HG LEU 80 4.273 -16.473 2.918 584 HD11 LEU 80 HD11 LEU 80 3.049 -14.904 1.534 585 HD12 LEU 80 HD12 LEU 80 2.699 -14.850 3.248 586 HD13 LEU 80 HD13 LEU 80 1.552 -15.616 2.138 587 HD21 LEU 80 HD21 LEU 80 2.697 -16.833 4.482 588 HD22 LEU 80 HD22 LEU 80 3.161 -18.411 3.819 589 HD23 LEU 80 HD23 LEU 80 1.590 -17.672 3.398 590 H ALA 81 H ALA 81 2.740 -19.384 -1.256 591 HA ALA 81 HA ALA 81 2.305 -17.538 -3.277 592 HB1 ALA 81 HB1 ALA 81 2.502 -19.396 -4.828 593 HB2 ALA 81 HB2 ALA 81 2.213 -20.540 -3.517 594 HB3 ALA 81 HB3 ALA 81 3.678 -19.559 -3.521 595 H ALA 82 H ALA 82 0.053 -20.081 -2.107 596 HA ALA 82 HA ALA 82 -1.910 -19.202 -4.034 597 HB1 ALA 82 HB1 ALA 82 -3.388 -20.841 -3.168 598 HB2 ALA 82 HB2 ALA 82 -2.314 -21.184 -1.806 599 HB3 ALA 82 HB3 ALA 82 -1.815 -21.587 -3.463 600 H TRP 83 H TRP 83 -1.358 -18.807 -0.565 601 HA TRP 83 HA TRP 83 -3.848 -17.655 -0.014 602 HB2 TRP 83 HB2 TRP 83 -1.173 -17.319 1.319 603 HB3 TRP 83 HB3 TRP 83 -2.627 -16.524 1.906 604 HD1 TRP 83 HD1 TRP 83 -3.668 -19.882 0.763 605 HE1 TRP 83 HE1 TRP 83 -3.814 -21.501 2.709 606 HE3 TRP 83 HE3 TRP 83 -1.240 -17.108 4.110 607 HZ2 TRP 83 HZ2 TRP 83 -3.048 -21.558 5.432 608 HZ3 TRP 83 HZ3 TRP 83 -0.965 -17.977 6.479 609 HH2 TRP 83 HH2 TRP 83 -1.872 -20.183 7.087 610 H ASN 84 H ASN 84 -0.870 -16.303 -1.080 611 HA ASN 84 HA ASN 84 -1.225 -13.625 -1.445 612 HB2 ASN 84 HB2 ASN 84 0.660 -14.748 -2.293 613 HB3 ASN 84 HB3 ASN 84 -0.280 -15.651 -3.477 614 HD21 ASN 84 HD21 ASN 84 0.796 -14.999 -5.197 615 HD22 ASN 84 HD22 ASN 84 0.848 -13.402 -5.848 616 H GLN 85 H GLN 85 -2.561 -16.064 -3.639 617 HA GLN 85 HA GLN 85 -4.064 -14.245 -5.217 618 HB2 GLN 85 HB2 GLN 85 -3.413 -16.427 -6.092 619 HB3 GLN 85 HB3 GLN 85 -4.306 -17.249 -4.830 620 HG2 GLN 85 HG2 GLN 85 -6.405 -16.367 -5.734 621 HG3 GLN 85 HG3 GLN 85 -5.509 -15.526 -6.996 622 HE21 GLN 85 HE21 GLN 85 -4.661 -16.692 -8.678 623 HE22 GLN 85 HE22 GLN 85 -5.110 -18.342 -8.980 624 H LEU 86 H LEU 86 -4.842 -16.413 -2.564 625 HA LEU 86 HA LEU 86 -7.601 -15.985 -2.498 626 HB2 LEU 86 HB2 LEU 86 -5.771 -16.799 -0.265 627 HB3 LEU 86 HB3 LEU 86 -7.513 -16.953 -0.261 628 HG LEU 86 HG LEU 86 -5.640 -18.401 -2.134 629 HD11 LEU 86 HD11 LEU 86 -6.256 -20.373 -0.896 630 HD12 LEU 86 HD12 LEU 86 -7.286 -19.388 0.157 631 HD13 LEU 86 HD13 LEU 86 -5.534 -19.162 0.175 632 HD21 LEU 86 HD21 LEU 86 -8.633 -18.605 -1.794 633 HD22 LEU 86 HD22 LEU 86 -7.636 -19.671 -2.779 634 HD23 LEU 86 HD23 LEU 86 -7.786 -17.968 -3.208 635 H MET 87 H MET 87 -5.070 -13.921 -1.405 636 HA MET 87 HA MET 87 -6.600 -12.611 0.714 637 HB2 MET 87 HB2 MET 87 -3.871 -12.092 -0.497 638 HB3 MET 87 HB3 MET 87 -4.573 -11.065 0.737 639 HG2 MET 87 HG2 MET 87 -4.123 -14.006 1.118 640 HG3 MET 87 HG3 MET 87 -2.903 -12.793 1.491 641 HE1 MET 87 HE1 MET 87 -4.255 -10.923 4.524 642 HE2 MET 87 HE2 MET 87 -4.028 -10.437 2.844 643 HE3 MET 87 HE3 MET 87 -2.814 -11.417 3.656 644 H LEU 88 H LEU 88 -5.314 -12.068 -2.442 645 HA LEU 88 HA LEU 88 -6.219 -9.382 -2.612 646 HB2 LEU 88 HB2 LEU 88 -4.071 -9.933 -3.387 647 HB3 LEU 88 HB3 LEU 88 -4.671 -11.345 -4.240 648 HG LEU 88 HG LEU 88 -5.995 -10.009 -5.450 649 HD11 LEU 88 HD11 LEU 88 -4.252 -7.755 -4.286 650 HD12 LEU 88 HD12 LEU 88 -6.009 -7.881 -4.163 651 HD13 LEU 88 HD13 LEU 88 -5.260 -7.476 -5.705 652 HD21 LEU 88 HD21 LEU 88 -4.171 -9.173 -7.035 653 HD22 LEU 88 HD22 LEU 88 -4.082 -10.861 -6.494 654 HD23 LEU 88 HD23 LEU 88 -3.040 -9.636 -5.762 655 H SER 89 H SER 89 -6.982 -12.454 -4.253 656 HA SER 89 HA SER 89 -8.810 -11.139 -5.845 657 HB2 SER 89 HB2 SER 89 -8.524 -14.096 -5.279 658 HB3 SER 89 HB3 SER 89 -9.466 -13.402 -6.604 659 HG SER 89 HG SER 89 -7.597 -12.553 -7.486 660 H ARG 90 H ARG 90 -9.063 -11.454 -2.661 661 HA ARG 90 HA ARG 90 -11.791 -12.184 -2.245 662 HB2 ARG 90 HB2 ARG 90 -10.048 -10.231 -0.735 663 HB3 ARG 90 HB3 ARG 90 -11.662 -10.692 -0.239 664 HG2 ARG 90 HG2 ARG 90 -9.264 -12.492 -0.418 665 HG3 ARG 90 HG3 ARG 90 -9.975 -11.827 1.051 666 HD2 ARG 90 HD2 ARG 90 -10.874 -13.925 1.036 667 HD3 ARG 90 HD3 ARG 90 -12.127 -13.009 0.213 668 HE ARG 90 HE ARG 90 -10.603 -13.945 -1.815 669 HH11 ARG 90 HH11 ARG 90 -12.427 -15.486 0.862 670 HH12 ARG 90 HH12 ARG 90 -12.292 -17.047 0.187 671 HH21 ARG 90 HH21 ARG 90 -10.582 -16.242 -2.730 672 HH22 ARG 90 HH22 ARG 90 -11.327 -17.437 -1.724 673 H SER 91 H SER 91 -10.035 -9.323 -3.262 674 HA SER 91 HA SER 91 -12.622 -8.147 -3.950 675 HB2 SER 91 HB2 SER 91 -9.943 -6.760 -3.588 676 HB3 SER 91 HB3 SER 91 -11.461 -5.965 -4.009 677 HG SER 91 HG SER 91 -10.503 -6.437 -1.653 678 HA PRO 92 HA PRO 92 -11.759 -10.406 -7.716 679 HB2 PRO 92 HB2 PRO 92 -13.254 -7.994 -8.662 680 HB3 PRO 92 HB3 PRO 92 -13.408 -9.686 -9.194 681 HG2 PRO 92 HG2 PRO 92 -15.083 -8.682 -7.401 682 HG3 PRO 92 HG3 PRO 92 -14.509 -10.357 -7.310 683 HD2 PRO 92 HD2 PRO 92 -13.927 -8.127 -5.522 684 HD3 PRO 92 HD3 PRO 92 -13.651 -9.861 -5.272 685 H GLU 93 H GLU 93 -9.801 -10.524 -8.590 686 HA GLU 93 HA GLU 93 -8.969 -8.991 -10.621 687 HB2 GLU 93 HB2 GLU 93 -8.216 -7.450 -8.804 688 HB3 GLU 93 HB3 GLU 93 -7.468 -8.804 -7.980 689 HG2 GLU 93 HG2 GLU 93 -5.923 -9.084 -9.770 690 HG3 GLU 93 HG3 GLU 93 -6.675 -7.770 -10.681 Start of MODEL 16 1 H ASP 14 HT1 ASP 14 -3.079 -2.611 -8.015 2 HA ASP 14 HA ASP 14 -1.329 -4.346 -7.961 3 HB2 ASP 14 HB2 ASP 14 0.091 -3.116 -6.138 4 HB3 ASP 14 HB3 ASP 14 -0.397 -2.254 -7.590 5 H ASN 15 H ASN 15 -1.909 -3.623 -4.577 6 HA ASN 15 HA ASN 15 -1.905 -6.521 -4.043 7 HB2 ASN 15 HB2 ASN 15 -0.150 -4.468 -2.681 8 HB3 ASN 15 HB3 ASN 15 -0.382 -6.088 -2.059 9 HD21 ASN 15 HD21 ASN 15 0.608 -7.844 -3.176 10 HD22 ASN 15 HD22 ASN 15 1.839 -7.541 -4.349 11 H ARG 16 H ARG 16 -2.350 -3.283 -2.675 12 HA ARG 16 HA ARG 16 -3.576 -2.480 -0.951 13 HB2 ARG 16 HB2 ARG 16 -5.527 -4.454 -2.130 14 HB3 ARG 16 HB3 ARG 16 -5.945 -3.575 -0.679 15 HG2 ARG 16 HG2 ARG 16 -6.942 -2.532 -2.587 16 HG3 ARG 16 HG3 ARG 16 -5.706 -1.471 -1.931 17 HD2 ARG 16 HD2 ARG 16 -4.190 -2.102 -3.702 18 HD3 ARG 16 HD3 ARG 16 -5.347 -3.281 -4.317 19 HE ARG 16 HE ARG 16 -6.881 -1.344 -4.661 20 HH11 ARG 16 HH11 ARG 16 -3.372 -0.823 -4.786 21 HH12 ARG 16 HH12 ARG 16 -3.464 0.484 -5.797 22 HH21 ARG 16 HH21 ARG 16 -7.053 0.365 -5.944 23 HH22 ARG 16 HH22 ARG 16 -5.721 1.293 -6.524 24 H HIS 17 H HIS 17 -5.208 -5.401 -0.294 25 HA HIS 17 HA HIS 17 -4.169 -5.445 2.436 26 HB2 HIS 17 HB2 HIS 17 -6.275 -7.113 1.047 27 HB3 HIS 17 HB3 HIS 17 -5.840 -7.262 2.742 28 HD1 HIS 17 HD1 HIS 17 -6.725 -5.378 4.359 29 HD2 HIS 17 HD2 HIS 17 -7.849 -4.929 0.379 30 HE1 HIS 17 HE1 HIS 17 -8.548 -3.645 4.331 31 H ALA 18 H ALA 18 -3.453 -6.995 -0.441 32 HA ALA 18 HA ALA 18 -2.120 -9.186 0.691 33 HB1 ALA 18 HB1 ALA 18 -1.435 -7.749 -1.879 34 HB2 ALA 18 HB2 ALA 18 -2.609 -9.059 -1.679 35 HB3 ALA 18 HB3 ALA 18 -0.900 -9.365 -1.384 36 H ALA 19 H ALA 19 -1.417 -5.886 0.941 37 HA ALA 19 HA ALA 19 1.353 -5.955 1.414 38 HB1 ALA 19 HB1 ALA 19 1.014 -3.926 2.699 39 HB2 ALA 19 HB2 ALA 19 -0.711 -4.276 2.843 40 HB3 ALA 19 HB3 ALA 19 -0.036 -3.872 1.274 41 H ASP 20 H ASP 20 -1.369 -7.076 3.375 42 HA ASP 20 HA ASP 20 -0.063 -7.448 5.829 43 HB2 ASP 20 HB2 ASP 20 -2.461 -8.691 4.546 44 HB3 ASP 20 HB3 ASP 20 -1.773 -9.494 5.945 45 H TYR 21 H TYR 21 0.097 -9.151 2.888 46 HA TYR 21 HA TYR 21 1.135 -11.697 3.565 47 HB2 TYR 21 HB2 TYR 21 0.711 -11.055 1.224 48 HB3 TYR 21 HB3 TYR 21 2.021 -9.900 1.287 49 HD1 TYR 21 HD2 TYR 21 4.499 -10.955 1.636 50 HD2 TYR 21 HD1 TYR 21 1.060 -13.182 0.409 51 HE1 TYR 21 HE2 TYR 21 5.924 -12.589 0.698 52 HE2 TYR 21 HE1 TYR 21 2.559 -14.873 -0.558 53 HH TYR 21 HH TYR 21 4.911 -14.993 -1.405 54 H GLN 22 H GLN 22 2.732 -8.632 3.352 55 HA GLN 22 HA GLN 22 5.406 -9.412 3.729 56 HB2 GLN 22 HB2 GLN 22 4.772 -7.135 3.045 57 HB3 GLN 22 HB3 GLN 22 4.046 -6.853 4.611 58 HG2 GLN 22 HG2 GLN 22 6.189 -5.772 4.533 59 HG3 GLN 22 HG3 GLN 22 6.250 -7.121 5.668 60 HE21 GLN 22 HE21 GLN 22 6.396 -7.491 2.168 61 HE22 GLN 22 HE22 GLN 22 8.049 -8.013 2.145 62 H GLN 23 H GLN 23 2.999 -8.378 6.101 63 HA GLN 23 HA GLN 23 4.641 -8.716 8.385 64 HB2 GLN 23 HB2 GLN 23 2.494 -7.354 8.216 65 HB3 GLN 23 HB3 GLN 23 1.633 -8.874 8.292 66 HG2 GLN 23 HG2 GLN 23 1.615 -7.935 10.475 67 HG3 GLN 23 HG3 GLN 23 2.707 -9.318 10.494 68 HE21 GLN 23 HE21 GLN 23 5.008 -8.948 10.802 69 HE22 GLN 23 HE22 GLN 23 5.536 -7.406 11.272 70 H LEU 24 H LEU 24 2.273 -10.702 6.728 71 HA LEU 24 HA LEU 24 2.123 -12.918 8.440 72 HB2 LEU 24 HB2 LEU 24 0.588 -12.549 6.570 73 HB3 LEU 24 HB3 LEU 24 1.899 -12.806 5.438 74 HG LEU 24 HG LEU 24 2.074 -15.140 6.211 75 HD11 LEU 24 HD11 LEU 24 1.229 -14.892 8.463 76 HD12 LEU 24 HD12 LEU 24 0.290 -16.090 7.573 77 HD13 LEU 24 HD13 LEU 24 -0.366 -14.474 7.835 78 HD21 LEU 24 HD21 LEU 24 -0.721 -14.422 5.357 79 HD22 LEU 24 HD22 LEU 24 0.151 -15.960 5.142 80 HD23 LEU 24 HD23 LEU 24 0.681 -14.529 4.283 81 H ARG 25 H ARG 25 4.244 -12.453 5.620 82 HA ARG 25 HA ARG 25 5.499 -14.909 5.924 83 HB2 ARG 25 HB2 ARG 25 5.449 -13.329 3.909 84 HB3 ARG 25 HB3 ARG 25 6.782 -12.489 4.693 85 HG2 ARG 25 HG2 ARG 25 8.096 -14.496 4.688 86 HG3 ARG 25 HG3 ARG 25 6.710 -15.374 4.018 87 HD2 ARG 25 HD2 ARG 25 6.798 -13.853 2.040 88 HD3 ARG 25 HD3 ARG 25 8.290 -13.192 2.669 89 HE ARG 25 HE ARG 25 8.864 -15.823 2.652 90 HH11 ARG 25 HH11 ARG 25 7.666 -13.696 0.060 91 HH12 ARG 25 HH12 ARG 25 8.240 -14.740 -1.169 92 HH21 ARG 25 HH21 ARG 25 9.629 -17.193 0.879 93 HH22 ARG 25 HH22 ARG 25 9.319 -16.685 -0.724 94 H GLU 26 H GLU 26 6.307 -11.691 7.129 95 HA GLU 26 HA GLU 26 8.800 -12.144 8.319 96 HB2 GLU 26 HB2 GLU 26 7.712 -9.967 7.937 97 HB3 GLU 26 HB3 GLU 26 6.527 -10.354 9.164 98 HG2 GLU 26 HG2 GLU 26 9.381 -10.402 9.906 99 HG3 GLU 26 HG3 GLU 26 8.629 -8.848 9.615 100 H ARG 27 H ARG 27 5.590 -12.391 9.768 101 HA ARG 27 HA ARG 27 6.441 -13.359 12.244 102 HB2 ARG 27 HB2 ARG 27 3.847 -13.428 10.834 103 HB3 ARG 27 HB3 ARG 27 4.076 -14.214 12.396 104 HG2 ARG 27 HG2 ARG 27 5.049 -11.498 12.075 105 HG3 ARG 27 HG3 ARG 27 3.313 -11.715 12.143 106 HD2 ARG 27 HD2 ARG 27 4.327 -11.226 14.373 107 HD3 ARG 27 HD3 ARG 27 3.491 -12.768 14.325 108 HE ARG 27 HE ARG 27 5.417 -13.801 14.813 109 HH11 ARG 27 HH11 ARG 27 6.414 -10.721 13.328 110 HH12 ARG 27 HH12 ARG 27 7.931 -10.705 13.936 111 HH21 ARG 27 HH21 ARG 27 7.644 -13.762 15.789 112 HH22 ARG 27 HH22 ARG 27 8.669 -12.458 15.380 113 H LEU 28 H LEU 28 5.451 -15.028 9.310 114 HA LEU 28 HA LEU 28 5.210 -17.565 10.508 115 HB2 LEU 28 HB2 LEU 28 5.662 -16.803 7.628 116 HB3 LEU 28 HB3 LEU 28 5.389 -18.446 8.159 117 HG LEU 28 HG LEU 28 3.408 -16.203 8.528 118 HD11 LEU 28 HD11 LEU 28 3.767 -16.667 6.164 119 HD12 LEU 28 HD12 LEU 28 2.201 -17.307 6.670 120 HD13 LEU 28 HD13 LEU 28 3.572 -18.393 6.452 121 HD21 LEU 28 HD21 LEU 28 3.149 -19.194 8.812 122 HD22 LEU 28 HD22 LEU 28 1.835 -18.026 8.913 123 HD23 LEU 28 HD23 LEU 28 3.116 -18.011 10.128 124 H ILE 29 H ILE 29 7.795 -15.913 8.812 125 HA ILE 29 HA ILE 29 9.713 -17.887 8.680 126 HB ILE 29 HB ILE 29 9.870 -14.887 9.026 127 HG12 ILE 29 HG12 ILE 29 10.667 -16.702 6.738 128 HG13 ILE 29 HG11 ILE 29 9.144 -15.831 6.867 129 HG21 ILE 29 HG21 ILE 29 12.251 -16.702 8.769 130 HG22 ILE 29 HG22 ILE 29 11.800 -15.711 10.165 131 HG23 ILE 29 HG23 ILE 29 12.264 -14.933 8.645 132 HD11 ILE 29 HD11 ILE 29 10.354 -13.711 6.781 133 HD12 ILE 29 HD12 ILE 29 10.695 -14.708 5.368 134 HD13 ILE 29 HD13 ILE 29 11.881 -14.587 6.666 135 H GLN 30 H GLN 30 8.969 -15.752 11.334 136 HA GLN 30 HA GLN 30 10.966 -16.848 13.076 137 HB2 GLN 30 HB2 GLN 30 8.785 -14.826 13.355 138 HB3 GLN 30 HB3 GLN 30 9.743 -15.350 14.741 139 HG2 GLN 30 HG2 GLN 30 11.711 -14.463 13.857 140 HG3 GLN 30 HG3 GLN 30 11.032 -14.354 12.233 141 HE21 GLN 30 HE21 GLN 30 9.704 -12.698 11.722 142 HE22 GLN 30 HE22 GLN 30 9.562 -11.271 12.648 143 H GLU 31 H GLU 31 7.512 -17.274 12.642 144 HA GLU 31 HA GLU 31 7.166 -18.626 15.154 145 HB2 GLU 31 HB2 GLU 31 5.497 -17.116 14.012 146 HB3 GLU 31 HB3 GLU 31 5.220 -18.419 12.873 147 HG2 GLU 31 HG2 GLU 31 4.431 -19.840 14.633 148 HG3 GLU 31 HG3 GLU 31 4.807 -18.611 15.835 149 H LEU 32 H LEU 32 7.694 -19.597 11.827 150 HA LEU 32 HA LEU 32 7.212 -22.384 12.412 151 HB2 LEU 32 HB2 LEU 32 8.039 -20.841 9.980 152 HB3 LEU 32 HB3 LEU 32 8.212 -22.575 10.035 153 HG LEU 32 HG LEU 32 5.791 -22.812 10.298 154 HD11 LEU 32 HD11 LEU 32 5.196 -20.764 11.419 155 HD12 LEU 32 HD12 LEU 32 4.287 -20.918 9.908 156 HD13 LEU 32 HD13 LEU 32 5.667 -19.829 10.000 157 HD21 LEU 32 HD21 LEU 32 5.183 -22.122 8.030 158 HD22 LEU 32 HD22 LEU 32 6.783 -22.879 8.127 159 HD23 LEU 32 HD23 LEU 32 6.651 -21.132 7.975 160 H ASN 33 H ASN 33 9.635 -20.215 12.959 161 HA ASN 33 HA ASN 33 11.861 -20.269 13.416 162 HB2 ASN 33 HB2 ASN 33 11.031 -22.184 14.925 163 HB3 ASN 33 HB3 ASN 33 11.537 -23.291 13.661 164 HD21 ASN 33 HD21 ASN 33 13.755 -23.557 13.301 165 HD22 ASN 33 HD22 ASN 33 14.953 -23.099 14.478 166 H LEU 34 H LEU 34 11.288 -20.016 10.883 167 HA LEU 34 HA LEU 34 13.080 -21.812 9.424 168 HB2 LEU 34 HB2 LEU 34 10.348 -21.034 8.861 169 HB3 LEU 34 HB3 LEU 34 11.417 -20.526 7.570 170 HG LEU 34 HG LEU 34 12.191 -22.809 7.276 171 HD11 LEU 34 HD11 LEU 34 11.100 -24.660 8.446 172 HD12 LEU 34 HD12 LEU 34 10.272 -23.491 9.491 173 HD13 LEU 34 HD13 LEU 34 12.036 -23.609 9.506 174 HD21 LEU 34 HD21 LEU 34 9.192 -22.557 7.300 175 HD22 LEU 34 HD22 LEU 34 10.124 -23.759 6.399 176 HD23 LEU 34 HD23 LEU 34 10.279 -22.046 6.008 177 H THR 35 H THR 35 13.902 -20.704 7.392 178 HA THR 35 HA THR 35 14.761 -18.063 8.226 179 HB THR 35 HB THR 35 16.812 -18.482 6.888 180 HG1 THR 35 HG1 THR 35 16.200 -21.171 6.540 181 HG21 THR 35 HG21 THR 35 16.795 -19.224 9.222 182 HG22 THR 35 HG22 THR 35 17.732 -20.354 8.230 183 HG23 THR 35 HG23 THR 35 16.081 -20.754 8.721 184 HA PRO 36 HA PRO 36 12.678 -15.891 5.030 185 HB2 PRO 36 HB2 PRO 36 15.336 -15.064 3.953 186 HB3 PRO 36 HB3 PRO 36 13.918 -14.064 4.341 187 HG2 PRO 36 HG2 PRO 36 15.946 -14.089 5.989 188 HG3 PRO 36 HG3 PRO 36 14.284 -14.142 6.612 189 HD2 PRO 36 HD2 PRO 36 16.297 -16.326 6.464 190 HD3 PRO 36 HD3 PRO 36 15.042 -16.014 7.681 191 H GLN 37 H GLN 37 15.454 -17.706 3.726 192 HA GLN 37 HA GLN 37 14.119 -17.807 1.119 193 HB2 GLN 37 HB2 GLN 37 16.890 -18.685 1.935 194 HB3 GLN 37 HB3 GLN 37 16.242 -18.812 0.307 195 HG2 GLN 37 HG2 GLN 37 16.018 -16.380 0.202 196 HG3 GLN 37 HG3 GLN 37 16.657 -16.250 1.838 197 HE21 GLN 37 HE21 GLN 37 18.396 -14.991 1.151 198 HE22 GLN 37 HE22 GLN 37 19.709 -15.686 0.256 199 H GLN 38 H GLN 38 14.343 -19.685 3.900 200 HA GLN 38 HA GLN 38 14.140 -22.233 2.612 201 HB2 GLN 38 HB2 GLN 38 15.214 -21.747 4.821 202 HB3 GLN 38 HB3 GLN 38 13.622 -21.372 5.443 203 HG2 GLN 38 HG2 GLN 38 12.914 -23.613 5.010 204 HG3 GLN 38 HG3 GLN 38 14.523 -23.999 4.361 205 HE21 GLN 38 HE21 GLN 38 13.190 -25.195 6.683 206 HE22 GLN 38 HE22 GLN 38 14.222 -24.870 8.027 207 H LEU 39 H LEU 39 12.155 -19.720 3.996 208 HA LEU 39 HA LEU 39 9.781 -21.326 3.672 209 HB2 LEU 39 HB2 LEU 39 10.263 -19.655 5.635 210 HB3 LEU 39 HB3 LEU 39 9.784 -18.427 4.486 211 HG LEU 39 HG LEU 39 8.055 -20.706 5.461 212 HD11 LEU 39 HD11 LEU 39 8.037 -17.790 6.162 213 HD12 LEU 39 HD12 LEU 39 8.501 -19.131 7.214 214 HD13 LEU 39 HD13 LEU 39 6.834 -18.979 6.657 215 HD21 LEU 39 HD21 LEU 39 7.384 -18.315 3.776 216 HD22 LEU 39 HD22 LEU 39 6.219 -19.495 4.403 217 HD23 LEU 39 HD23 LEU 39 7.449 -19.991 3.228 218 H HIS 40 H HIS 40 10.070 -21.555 1.542 219 HA HIS 40 HA HIS 40 9.856 -19.467 -0.383 220 HB2 HIS 40 HB2 HIS 40 10.922 -21.470 -1.085 221 HB3 HIS 40 HB3 HIS 40 9.648 -22.471 -0.431 222 HD1 HIS 40 HD1 HIS 40 8.059 -23.356 -2.076 223 HD2 HIS 40 HD2 HIS 40 10.026 -19.997 -3.509 224 HE1 HIS 40 HE1 HIS 40 7.340 -23.095 -4.501 225 H GLU 41 H GLU 41 8.094 -18.849 -1.551 226 HA GLU 41 HA GLU 41 5.720 -18.278 -0.573 227 HB2 GLU 41 HB2 GLU 41 6.523 -18.959 -3.382 228 HB3 GLU 41 HB3 GLU 41 4.896 -18.443 -3.007 229 HG2 GLU 41 HG2 GLU 41 6.156 -16.581 -3.855 230 HG3 GLU 41 HG3 GLU 41 5.789 -16.311 -2.166 231 H GLU 42 H GLU 42 6.038 -21.037 -2.785 232 HA GLU 42 HA GLU 42 3.490 -21.941 -1.776 233 HB2 GLU 42 HB2 GLU 42 4.953 -22.730 -4.282 234 HB3 GLU 42 HB3 GLU 42 3.441 -23.468 -3.763 235 HG2 GLU 42 HG2 GLU 42 3.886 -20.571 -4.472 236 HG3 GLU 42 HG3 GLU 42 2.965 -21.761 -5.392 237 H SER 43 H SER 43 5.980 -22.388 -0.285 238 HA SER 43 HA SER 43 5.964 -25.273 -0.204 239 HB2 SER 43 HB2 SER 43 7.411 -23.211 1.478 240 HB3 SER 43 HB3 SER 43 7.616 -24.960 1.635 241 HG SER 43 HG SER 43 9.196 -24.350 0.286 242 H ASN 44 H ASN 44 4.682 -26.400 1.068 243 HA ASN 44 HA ASN 44 2.386 -25.447 2.304 244 HB2 ASN 44 HB2 ASN 44 3.032 -27.968 1.755 245 HB3 ASN 44 HB3 ASN 44 3.871 -27.841 3.243 246 HD21 ASN 44 HD21 ASN 44 1.532 -29.498 2.497 247 HD22 ASN 44 HD22 ASN 44 0.342 -29.172 3.701 248 H LEU 45 H LEU 45 2.153 -24.239 4.058 249 HA LEU 45 HA LEU 45 4.307 -23.686 5.838 250 HB2 LEU 45 HB2 LEU 45 1.399 -22.992 6.119 251 HB3 LEU 45 HB3 LEU 45 2.713 -22.306 7.055 252 HG LEU 45 HG LEU 45 2.331 -22.041 4.102 253 HD11 LEU 45 HD11 LEU 45 0.698 -20.754 5.371 254 HD12 LEU 45 HD12 LEU 45 1.879 -19.665 4.639 255 HD13 LEU 45 HD13 LEU 45 1.987 -20.065 6.355 256 HD21 LEU 45 HD21 LEU 45 4.174 -20.403 4.229 257 HD22 LEU 45 HD22 LEU 45 4.690 -22.027 4.689 258 HD23 LEU 45 HD23 LEU 45 4.392 -20.813 5.930 259 H ILE 46 H ILE 46 1.541 -25.752 6.014 260 HA ILE 46 HA ILE 46 1.703 -26.276 8.817 261 HB ILE 46 HB ILE 46 0.473 -27.993 6.625 262 HG12 ILE 46 HG12 ILE 46 -0.779 -25.944 8.479 263 HG13 ILE 46 HG11 ILE 46 -0.519 -25.765 6.748 264 HG21 ILE 46 HG21 ILE 46 -0.825 -29.058 8.430 265 HG22 ILE 46 HG22 ILE 46 0.067 -28.114 9.622 266 HG23 ILE 46 HG23 ILE 46 0.908 -29.312 8.640 267 HD11 ILE 46 HD11 ILE 46 -2.842 -26.270 7.250 268 HD12 ILE 46 HD12 ILE 46 -2.357 -27.763 8.055 269 HD13 ILE 46 HD13 ILE 46 -2.104 -27.574 6.319 270 H GLN 47 H GLN 47 2.962 -27.785 5.970 271 HA GLN 47 HA GLN 47 4.337 -29.877 7.372 272 HB2 GLN 47 HB2 GLN 47 4.074 -28.967 4.615 273 HB3 GLN 47 HB3 GLN 47 5.407 -30.042 4.834 274 HG2 GLN 47 HG2 GLN 47 3.644 -31.629 5.846 275 HG3 GLN 47 HG3 GLN 47 2.454 -30.488 5.221 276 HE21 GLN 47 HE21 GLN 47 4.865 -32.835 4.403 277 HE22 GLN 47 HE22 GLN 47 4.415 -32.996 2.739 278 H ALA 48 H ALA 48 4.979 -26.646 6.906 279 HA ALA 48 HA ALA 48 7.872 -26.960 6.992 280 HB1 ALA 48 HB1 ALA 48 6.195 -24.448 6.843 281 HB2 ALA 48 HB2 ALA 48 6.975 -25.250 5.486 282 HB3 ALA 48 HB3 ALA 48 7.953 -24.515 6.756 283 H GLY 49 H GLY 49 5.216 -25.677 8.972 284 HA2 GLY 49 HA2 GLY 49 6.075 -26.567 11.395 285 HA3 GLY 49 HA3 GLY 49 7.008 -25.098 11.165 286 H LEU 50 H LEU 50 3.619 -25.889 10.406 287 HA LEU 50 HA LEU 50 2.566 -23.891 12.338 288 HB2 LEU 50 HB2 LEU 50 2.942 -22.919 9.933 289 HB3 LEU 50 HB3 LEU 50 1.712 -24.060 9.443 290 HG LEU 50 HG LEU 50 0.164 -22.954 11.095 291 HD11 LEU 50 HD11 LEU 50 1.838 -21.909 12.512 292 HD12 LEU 50 HD12 LEU 50 0.763 -20.693 11.823 293 HD13 LEU 50 HD13 LEU 50 2.378 -20.917 11.158 294 HD21 LEU 50 HD21 LEU 50 -0.291 -21.043 9.652 295 HD22 LEU 50 HD22 LEU 50 0.054 -22.490 8.699 296 HD23 LEU 50 HD23 LEU 50 1.285 -21.236 8.886 297 H ASP 51 H ASP 51 0.559 -24.469 13.053 298 HA ASP 51 HA ASP 51 -0.215 -27.124 12.194 299 HB2 ASP 51 HB2 ASP 51 -1.034 -27.354 14.574 300 HB3 ASP 51 HB3 ASP 51 0.714 -27.347 14.374 301 HA 4HH 52 HA 4HH 52 -4.588 -26.480 11.634 302 H 4HH 52 H 4HH 52 -2.364 -27.538 12.409 303 HB3 4HH 52 HB3 4HH 52 -4.461 -28.519 12.927 304 HB2 4HH 52 HB2 4HH 52 -4.292 -27.583 14.411 305 HJ3 4HH 52 HJ3 4HH 52 -7.749 -26.360 13.482 306 HJ2 4HH 52 HJ2 4HH 52 -8.271 -26.340 15.171 307 HL13 4HH 52 HL13 4HH 52 -10.973 -26.978 11.912 308 HL12 4HH 52 HL12 4HH 52 -9.351 -26.490 11.635 309 HL11 4HH 52 HL11 4HH 52 -9.612 -28.094 12.224 310 HL21 4HH 52 HL21 4HH 52 -9.319 -24.642 12.898 311 HL23 4HH 52 HL23 4HH 52 -10.957 -24.626 13.392 312 HL22 4HH 52 HL22 4HH 52 -9.610 -24.508 14.588 313 HL3 4HH 52 HL3 4HH 52 -10.543 -28.205 14.981 314 HM 4HH 52 HM 4HH 52 -11.509 -26.839 16.503 315 HN 4HH 52 HN 4HH 52 -12.835 -27.730 12.598 316 HO2 4HH 52 HO2 4HH 52 -12.751 -24.900 13.311 317 HO3 4HH 52 HO3 4HH 52 -14.370 -25.589 13.062 318 HP3 4HH 52 HP3 4HH 52 -12.050 -25.417 11.141 319 HP2 4HH 52 HP2 4HH 52 -13.571 -26.298 10.807 320 HS2 4HH 52 HS2 4HH 52 -12.300 -22.476 12.666 321 HS3 4HH 52 HS3 4HH 52 -13.949 -21.973 12.188 322 HT3 4HH 52 HT3 4HH 52 -11.412 -20.841 11.153 323 HT2 4HH 52 HT2 4HH 52 -12.697 -20.034 12.049 324 HR 4HH 52 HR 4HH 52 -12.451 -22.946 9.988 325 HU 4HH 52 HU 4HH 52 -14.567 -20.411 9.960 326 H ILE 53 H ILE 53 -4.024 -25.938 15.009 327 HA ILE 53 HA ILE 53 -5.767 -23.844 15.447 328 HB ILE 53 HB ILE 53 -3.290 -24.616 16.940 329 HG12 ILE 53 HG12 ILE 53 -4.921 -26.416 16.842 330 HG13 ILE 53 HG11 ILE 53 -4.887 -25.759 18.473 331 HG21 ILE 53 HG21 ILE 53 -4.267 -23.389 18.893 332 HG22 ILE 53 HG22 ILE 53 -5.575 -22.825 17.850 333 HG23 ILE 53 HG23 ILE 53 -3.926 -22.308 17.536 334 HD11 ILE 53 HD11 ILE 53 -7.174 -26.243 17.771 335 HD12 ILE 53 HD12 ILE 53 -7.001 -25.188 16.379 336 HD13 ILE 53 HD13 ILE 53 -6.960 -24.510 18.003 337 H ARG 54 H ARG 54 -2.155 -23.604 14.911 338 HA ARG 54 HA ARG 54 -2.194 -20.816 15.145 339 HB2 ARG 54 HB2 ARG 54 -0.270 -22.763 14.085 340 HB3 ARG 54 HB3 ARG 54 -0.043 -21.031 13.821 341 HG2 ARG 54 HG2 ARG 54 -0.329 -20.711 16.240 342 HG3 ARG 54 HG3 ARG 54 -0.302 -22.475 16.403 343 HD2 ARG 54 HD2 ARG 54 1.685 -20.938 14.946 344 HD3 ARG 54 HD3 ARG 54 1.885 -21.247 16.695 345 HE ARG 54 HE ARG 54 1.492 -23.703 15.748 346 HH11 ARG 54 HH11 ARG 54 3.574 -21.226 14.353 347 HH12 ARG 54 HH12 ARG 54 4.732 -22.339 13.776 348 HH21 ARG 54 HH21 ARG 54 2.921 -25.150 15.000 349 HH22 ARG 54 HH22 ARG 54 4.345 -24.685 14.115 350 H LEU 55 H LEU 55 -2.747 -22.935 12.462 351 HA LEU 55 HA LEU 55 -2.646 -20.951 10.472 352 HB2 LEU 55 HB2 LEU 55 -2.614 -23.398 9.948 353 HB3 LEU 55 HB3 LEU 55 -4.234 -23.475 10.546 354 HG LEU 55 HG LEU 55 -5.135 -22.145 8.803 355 HD11 LEU 55 HD11 LEU 55 -3.761 -21.307 7.013 356 HD12 LEU 55 HD12 LEU 55 -2.310 -21.818 7.888 357 HD13 LEU 55 HD13 LEU 55 -3.349 -20.541 8.550 358 HD21 LEU 55 HD21 LEU 55 -4.663 -23.383 6.941 359 HD22 LEU 55 HD22 LEU 55 -4.662 -24.483 8.374 360 HD23 LEU 55 HD23 LEU 55 -3.127 -23.917 7.621 361 H MET 56 H MET 56 -5.320 -22.250 12.400 362 HA MET 56 HA MET 56 -7.278 -20.590 11.169 363 HB2 MET 56 HB2 MET 56 -8.050 -22.429 12.511 364 HB3 MET 56 HB3 MET 56 -7.266 -21.755 13.937 365 HG2 MET 56 HG2 MET 56 -8.760 -19.660 13.364 366 HG3 MET 56 HG3 MET 56 -9.771 -20.861 12.555 367 HE1 MET 56 HE1 MET 56 -8.574 -20.745 16.953 368 HE2 MET 56 HE2 MET 56 -7.820 -19.883 15.558 369 HE3 MET 56 HE3 MET 56 -7.633 -21.616 15.749 370 H ARG 57 H ARG 57 -5.129 -20.166 13.800 371 HA ARG 57 HA ARG 57 -6.044 -17.772 14.689 372 HB2 ARG 57 HB2 ARG 57 -4.517 -18.902 15.947 373 HB3 ARG 57 HB3 ARG 57 -3.421 -19.044 14.581 374 HG2 ARG 57 HG2 ARG 57 -2.832 -16.747 14.732 375 HG3 ARG 57 HG3 ARG 57 -4.057 -16.477 15.987 376 HD2 ARG 57 HD2 ARG 57 -3.034 -17.713 17.468 377 HD3 ARG 57 HD3 ARG 57 -2.088 -18.613 16.281 378 HE ARG 57 HE ARG 57 -1.471 -15.983 17.395 379 HH11 ARG 57 HH11 ARG 57 -0.725 -18.362 14.839 380 HH12 ARG 57 HH12 ARG 57 0.916 -17.956 14.729 381 HH21 ARG 57 HH21 ARG 57 0.913 -15.389 17.152 382 HH22 ARG 57 HH22 ARG 57 1.795 -16.313 15.992 383 H TRP 58 H TRP 58 -3.943 -18.643 11.878 384 HA TRP 58 HA TRP 58 -3.419 -15.905 11.329 385 HB2 TRP 58 HB2 TRP 58 -2.831 -18.463 9.867 386 HB3 TRP 58 HB3 TRP 58 -2.590 -16.910 9.073 387 HD1 TRP 58 HD1 TRP 58 -0.721 -19.338 11.091 388 HE1 TRP 58 HE1 TRP 58 1.425 -18.259 12.087 389 HE3 TRP 58 HE3 TRP 58 -1.851 -14.435 10.310 390 HZ2 TRP 58 HZ2 TRP 58 2.504 -15.610 12.412 391 HZ3 TRP 58 HZ3 TRP 58 -0.250 -12.718 10.996 392 HH2 TRP 58 HH2 TRP 58 1.859 -13.308 12.033 393 H LEU 59 H LEU 59 -5.710 -18.279 10.374 394 HA LEU 59 HA LEU 59 -6.984 -16.879 8.308 395 HB2 LEU 59 HB2 LEU 59 -7.374 -19.273 8.756 396 HB3 LEU 59 HB3 LEU 59 -8.132 -18.874 10.273 397 HG LEU 59 HG LEU 59 -9.686 -19.603 8.424 398 HD11 LEU 59 HD11 LEU 59 -10.228 -16.899 9.594 399 HD12 LEU 59 HD12 LEU 59 -10.583 -18.457 10.336 400 HD13 LEU 59 HD13 LEU 59 -11.431 -17.967 8.865 401 HD21 LEU 59 HD21 LEU 59 -10.299 -17.993 6.705 402 HD22 LEU 59 HD22 LEU 59 -8.589 -18.428 6.582 403 HD23 LEU 59 HD23 LEU 59 -9.058 -16.885 7.292 404 H HIS 60 H HIS 60 -7.496 -16.767 11.833 405 HA HIS 60 HA HIS 60 -9.618 -14.939 11.413 406 HB2 HIS 60 HB2 HIS 60 -9.922 -14.772 13.883 407 HB3 HIS 60 HB3 HIS 60 -9.683 -16.433 13.378 408 HD1 HIS 60 HD1 HIS 60 -9.055 -17.210 15.702 409 HD2 HIS 60 HD2 HIS 60 -6.632 -14.281 14.134 410 HE1 HIS 60 HE1 HIS 60 -7.138 -17.002 17.322 411 H TRP 61 H TRP 61 -6.299 -14.586 11.654 412 HA TRP 61 HA TRP 61 -6.270 -11.724 12.003 413 HB2 TRP 61 HB2 TRP 61 -4.318 -13.022 12.655 414 HB3 TRP 61 HB3 TRP 61 -4.245 -13.793 11.085 415 HD1 TRP 61 HD1 TRP 61 -3.271 -10.546 12.882 416 HE1 TRP 61 HE1 TRP 61 -1.551 -9.302 11.387 417 HE3 TRP 61 HE3 TRP 61 -3.550 -13.457 8.726 418 HZ2 TRP 61 HZ2 TRP 61 -0.472 -9.559 8.786 419 HZ3 TRP 61 HZ3 TRP 61 -2.157 -12.912 6.789 420 HH2 TRP 61 HH2 TRP 61 -0.669 -11.034 6.808 421 H PHE 62 H PHE 62 -6.614 -13.959 9.362 422 HA PHE 62 HA PHE 62 -6.497 -11.972 7.296 423 HB2 PHE 62 HB2 PHE 62 -7.417 -14.827 7.433 424 HB3 PHE 62 HB3 PHE 62 -8.000 -13.843 6.117 425 HD1 PHE 62 HD2 PHE 62 -4.802 -14.760 7.782 426 HD2 PHE 62 HD1 PHE 62 -6.840 -13.781 4.226 427 HE1 PHE 62 HE2 PHE 62 -2.739 -15.215 6.505 428 HE2 PHE 62 HE1 PHE 62 -4.799 -14.273 2.907 429 HZ PHE 62 HZ PHE 62 -2.749 -14.991 4.062 430 H ARG 63 H ARG 63 -8.971 -13.483 9.211 431 HA ARG 63 HA ARG 63 -11.214 -12.332 7.995 432 HB2 ARG 63 HB2 ARG 63 -11.146 -14.293 9.605 433 HB3 ARG 63 HB3 ARG 63 -11.005 -13.116 10.900 434 HG2 ARG 63 HG2 ARG 63 -13.291 -13.816 10.727 435 HG3 ARG 63 HG3 ARG 63 -13.170 -12.140 10.183 436 HD2 ARG 63 HD2 ARG 63 -13.162 -12.884 7.852 437 HD3 ARG 63 HD3 ARG 63 -13.236 -14.563 8.383 438 HE ARG 63 HE ARG 63 -15.336 -12.744 9.204 439 HH11 ARG 63 HH11 ARG 63 -14.329 -15.472 7.139 440 HH12 ARG 63 HH12 ARG 63 -15.875 -15.923 6.669 441 HH21 ARG 63 HH21 ARG 63 -17.550 -13.353 8.540 442 HH22 ARG 63 HH22 ARG 63 -17.786 -14.666 7.490 443 H LYS 64 H LYS 64 -8.906 -11.068 10.199 444 HA LYS 64 HA LYS 64 -10.316 -8.914 11.340 445 HB2 LYS 64 HB2 LYS 64 -8.266 -8.490 12.359 446 HB3 LYS 64 HB3 LYS 64 -7.843 -9.989 11.609 447 HG2 LYS 64 HG2 LYS 64 -6.911 -8.844 9.686 448 HG3 LYS 64 HG3 LYS 64 -7.312 -7.292 10.416 449 HD2 LYS 64 HD2 LYS 64 -5.882 -7.792 12.287 450 HD3 LYS 64 HD3 LYS 64 -5.508 -9.374 11.600 451 HE2 LYS 64 HE2 LYS 64 -4.825 -6.679 10.377 452 HE3 LYS 64 HE3 LYS 64 -3.682 -7.820 11.081 453 HZ1 LYS 64 HZ1 LYS 64 -5.299 -8.182 8.622 454 HZ2 LYS 64 HZ2 LYS 64 -4.383 -9.418 9.287 455 HZ3 LYS 64 HZ3 LYS 64 -3.632 -8.033 8.679 456 H ASN 65 H ASN 65 -8.947 -9.399 8.168 457 HA ASN 65 HA ASN 65 -9.111 -6.574 7.403 458 HB2 ASN 65 HB2 ASN 65 -8.204 -9.042 5.910 459 HB3 ASN 65 HB3 ASN 65 -8.415 -7.493 5.118 460 HD21 ASN 65 HD21 ASN 65 -6.203 -7.548 4.548 461 HD22 ASN 65 HD22 ASN 65 -4.987 -7.149 5.692 462 H GLY 66 H GLY 66 -11.153 -9.071 7.731 463 HA2 GLY 66 HA2 GLY 66 -13.328 -9.297 7.073 464 HA3 GLY 66 HA3 GLY 66 -13.128 -7.868 6.069 465 H TYR 67 H TYR 67 -10.842 -10.520 5.621 466 HA TYR 67 HA TYR 67 -11.668 -10.835 2.949 467 HB2 TYR 67 HB2 TYR 67 -10.058 -12.710 4.681 468 HB3 TYR 67 HB3 TYR 67 -10.287 -12.893 2.955 469 HD1 TYR 67 HD1 TYR 67 -9.562 -10.589 1.625 470 HD2 TYR 67 HD2 TYR 67 -8.077 -11.947 5.349 471 HE1 TYR 67 HE1 TYR 67 -7.455 -9.349 1.261 472 HE2 TYR 67 HE2 TYR 67 -6.009 -10.719 5.001 473 HH TYR 67 HH TYR 67 -4.681 -9.807 3.169 474 H ARG 68 H ARG 68 -13.123 -12.127 2.090 475 HA ARG 68 HA ARG 68 -14.800 -13.647 3.874 476 HB2 ARG 68 HB2 ARG 68 -14.994 -13.143 0.909 477 HB3 ARG 68 HB3 ARG 68 -16.095 -14.208 1.713 478 HG2 ARG 68 HG2 ARG 68 -17.254 -12.289 1.534 479 HG3 ARG 68 HG3 ARG 68 -16.669 -12.221 3.188 480 HD2 ARG 68 HD2 ARG 68 -14.916 -10.767 2.611 481 HD3 ARG 68 HD3 ARG 68 -15.265 -11.031 0.896 482 HE ARG 68 HE ARG 68 -17.540 -9.973 1.595 483 HH11 ARG 68 HH11 ARG 68 -14.437 -8.834 2.913 484 HH12 ARG 68 HH12 ARG 68 -14.801 -7.195 2.824 485 HH21 ARG 68 HH21 ARG 68 -18.094 -7.652 1.500 486 HH22 ARG 68 HH22 ARG 68 -16.957 -6.498 2.017 487 H LEU 69 H LEU 69 -13.336 -14.993 4.512 488 HA LEU 69 HA LEU 69 -12.536 -17.197 2.714 489 HB2 LEU 69 HB2 LEU 69 -10.939 -15.764 4.808 490 HB3 LEU 69 HB3 LEU 69 -10.541 -17.390 4.313 491 HG LEU 69 HG LEU 69 -10.637 -15.102 2.343 492 HD11 LEU 69 HD11 LEU 69 -8.303 -16.181 3.932 493 HD12 LEU 69 HD12 LEU 69 -9.024 -14.585 4.121 494 HD13 LEU 69 HD13 LEU 69 -8.205 -15.011 2.619 495 HD21 LEU 69 HD21 LEU 69 -10.725 -17.381 1.450 496 HD22 LEU 69 HD22 LEU 69 -9.268 -17.777 2.365 497 HD23 LEU 69 HD23 LEU 69 -9.199 -16.580 1.072 498 H THR 70 H THR 70 -12.431 -19.172 3.624 499 HA THR 70 HA THR 70 -13.389 -19.480 6.373 500 HB THR 70 HB THR 70 -14.188 -21.753 5.627 501 HG1 THR 70 HG1 THR 70 -13.301 -20.768 3.113 502 HG21 THR 70 HG21 THR 70 -16.217 -20.972 4.465 503 HG22 THR 70 HG22 THR 70 -15.434 -19.420 4.161 504 HG23 THR 70 HG23 THR 70 -15.793 -19.916 5.814 505 H LEU 71 H LEU 71 -12.247 -21.133 7.594 506 HA LEU 71 HA LEU 71 -9.491 -21.200 7.334 507 HB2 LEU 71 HB2 LEU 71 -10.793 -21.999 9.389 508 HB3 LEU 71 HB3 LEU 71 -11.109 -23.453 8.488 509 HG LEU 71 HG LEU 71 -8.728 -23.975 8.451 510 HD11 LEU 71 HD11 LEU 71 -8.520 -21.484 10.085 511 HD12 LEU 71 HD12 LEU 71 -7.778 -21.729 8.491 512 HD13 LEU 71 HD13 LEU 71 -7.227 -22.649 9.904 513 HD21 LEU 71 HD21 LEU 71 -9.791 -23.304 11.176 514 HD22 LEU 71 HD22 LEU 71 -8.482 -24.423 10.817 515 HD23 LEU 71 HD23 LEU 71 -10.121 -24.780 10.267 516 H ARG 72 H ARG 72 -11.814 -23.409 6.103 517 HA ARG 72 HA ARG 72 -10.535 -25.674 5.400 518 HB2 ARG 72 HB2 ARG 72 -12.430 -24.214 3.609 519 HB3 ARG 72 HB3 ARG 72 -12.111 -25.936 3.590 520 HG2 ARG 72 HG2 ARG 72 -13.148 -26.194 5.745 521 HG3 ARG 72 HG3 ARG 72 -13.346 -24.443 5.894 522 HD2 ARG 72 HD2 ARG 72 -14.555 -26.206 3.798 523 HD3 ARG 72 HD3 ARG 72 -15.424 -25.479 5.162 524 HE ARG 72 HE ARG 72 -14.243 -23.365 3.824 525 HH11 ARG 72 HH11 ARG 72 -16.649 -25.807 2.936 526 HH12 ARG 72 HH12 ARG 72 -17.367 -24.853 1.724 527 HH21 ARG 72 HH21 ARG 72 -15.160 -22.084 2.233 528 HH22 ARG 72 HH22 ARG 72 -16.475 -22.608 1.289 529 H GLU 73 H GLU 73 -10.610 -22.637 3.518 530 HA GLU 73 HA GLU 73 -9.440 -23.552 1.137 531 HB2 GLU 73 HB2 GLU 73 -9.686 -20.810 2.358 532 HB3 GLU 73 HB3 GLU 73 -9.139 -21.108 0.709 533 HG2 GLU 73 HG2 GLU 73 -11.184 -21.924 0.040 534 HG3 GLU 73 HG3 GLU 73 -11.761 -22.166 1.696 535 H LEU 74 H LEU 74 -8.027 -21.594 3.754 536 HA LEU 74 HA LEU 74 -5.419 -21.710 2.706 537 HB2 LEU 74 HB2 LEU 74 -6.385 -21.007 5.479 538 HB3 LEU 74 HB3 LEU 74 -4.720 -20.877 4.981 539 HG LEU 74 HG LEU 74 -5.542 -19.251 3.206 540 HD11 LEU 74 HD11 LEU 74 -7.891 -19.376 4.966 541 HD12 LEU 74 HD12 LEU 74 -7.794 -19.760 3.223 542 HD13 LEU 74 HD13 LEU 74 -7.570 -18.079 3.794 543 HD21 LEU 74 HD21 LEU 74 -5.776 -18.513 6.116 544 HD22 LEU 74 HD22 LEU 74 -5.593 -17.384 4.765 545 HD23 LEU 74 HD23 LEU 74 -4.306 -18.530 5.128 546 H TYR 75 H TYR 75 -7.306 -23.781 4.524 547 HA TYR 75 HA TYR 75 -5.245 -25.110 6.033 548 HB2 TYR 75 HB2 TYR 75 -7.717 -24.689 6.647 549 HB3 TYR 75 HB3 TYR 75 -8.091 -26.044 5.593 550 HD1 TYR 75 HD2 TYR 75 -5.071 -26.815 7.165 551 HD2 TYR 75 HD1 TYR 75 -9.197 -26.226 7.850 552 HE1 TYR 75 HE2 TYR 75 -4.906 -28.144 9.211 553 HE2 TYR 75 HE1 TYR 75 -9.144 -27.438 9.804 554 HH TYR 75 HH TYR 75 -7.621 -29.247 10.999 555 H ALA 76 H ALA 76 -7.185 -25.700 3.147 556 HA ALA 76 HA ALA 76 -5.987 -28.260 2.649 557 HB1 ALA 76 HB1 ALA 76 -7.686 -26.525 0.851 558 HB2 ALA 76 HB2 ALA 76 -8.286 -27.787 1.926 559 HB3 ALA 76 HB3 ALA 76 -7.261 -28.210 0.555 560 H ALA 77 H ALA 77 -5.580 -24.947 1.563 561 HA ALA 77 HA ALA 77 -3.110 -25.783 0.238 562 HB1 ALA 77 HB1 ALA 77 -4.962 -23.571 -0.672 563 HB2 ALA 77 HB2 ALA 77 -4.790 -25.141 -1.458 564 HB3 ALA 77 HB3 ALA 77 -3.431 -24.015 -1.421 565 HA PRO 78 HA PRO 78 -1.996 -22.487 3.144 566 HB2 PRO 78 HB2 PRO 78 -0.110 -24.020 4.519 567 HB3 PRO 78 HB3 PRO 78 -1.784 -23.755 5.046 568 HG2 PRO 78 HG2 PRO 78 -0.653 -26.204 4.228 569 HG3 PRO 78 HG3 PRO 78 -2.356 -25.865 4.580 570 HD2 PRO 78 HD2 PRO 78 -0.998 -26.053 1.954 571 HD3 PRO 78 HD3 PRO 78 -2.698 -26.346 2.404 572 H THR 79 H THR 79 -1.066 -21.603 1.208 573 HA THR 79 HA THR 79 1.807 -21.821 1.159 574 HB THR 79 HB THR 79 1.635 -21.714 -1.389 575 HG1 THR 79 HG1 THR 79 -0.112 -21.991 -2.336 576 HG21 THR 79 HG21 THR 79 1.381 -24.146 -1.682 577 HG22 THR 79 HG22 THR 79 0.696 -24.263 -0.060 578 HG23 THR 79 HG23 THR 79 2.374 -23.767 -0.274 579 H LEU 80 H LEU 80 2.771 -19.866 0.582 580 HA LEU 80 HA LEU 80 1.183 -17.682 1.402 581 HB2 LEU 80 HB2 LEU 80 4.015 -18.187 1.087 582 HB3 LEU 80 HB3 LEU 80 3.573 -16.546 0.659 583 HG LEU 80 HG LEU 80 2.761 -17.774 3.316 584 HD11 LEU 80 HD11 LEU 80 5.215 -17.752 3.194 585 HD12 LEU 80 HD12 LEU 80 4.600 -16.473 4.262 586 HD13 LEU 80 HD13 LEU 80 5.156 -16.074 2.643 587 HD21 LEU 80 HD21 LEU 80 1.495 -15.849 2.566 588 HD22 LEU 80 HD22 LEU 80 3.008 -14.968 2.318 589 HD23 LEU 80 HD23 LEU 80 2.539 -15.464 3.939 590 H ALA 81 H ALA 81 2.264 -18.619 -1.837 591 HA ALA 81 HA ALA 81 1.682 -15.967 -2.811 592 HB1 ALA 81 HB1 ALA 81 2.159 -16.880 -5.044 593 HB2 ALA 81 HB2 ALA 81 2.303 -18.498 -4.352 594 HB3 ALA 81 HB3 ALA 81 3.458 -17.239 -3.911 595 H ALA 82 H ALA 82 0.155 -19.126 -2.712 596 HA ALA 82 HA ALA 82 -2.119 -18.386 -4.212 597 HB1 ALA 82 HB1 ALA 82 -1.677 -20.737 -3.681 598 HB2 ALA 82 HB2 ALA 82 -3.285 -20.221 -3.137 599 HB3 ALA 82 HB3 ALA 82 -1.980 -20.397 -1.969 600 H TRP 83 H TRP 83 -1.386 -18.180 -0.760 601 HA TRP 83 HA TRP 83 -3.866 -17.127 0.010 602 HB2 TRP 83 HB2 TRP 83 -1.154 -16.800 1.241 603 HB3 TRP 83 HB3 TRP 83 -2.623 -16.147 1.957 604 HD1 TRP 83 HD1 TRP 83 -3.507 -19.366 0.444 605 HE1 TRP 83 HE1 TRP 83 -3.523 -21.207 2.167 606 HE3 TRP 83 HE3 TRP 83 -1.206 -16.872 4.097 607 HZ2 TRP 83 HZ2 TRP 83 -2.719 -21.542 4.832 608 HZ3 TRP 83 HZ3 TRP 83 -0.870 -18.015 6.321 609 HH2 TRP 83 HH2 TRP 83 -1.681 -20.366 6.608 610 H ASN 84 H ASN 84 -0.924 -15.509 -0.923 611 HA ASN 84 HA ASN 84 -1.716 -12.850 -0.852 612 HB2 ASN 84 HB2 ASN 84 0.538 -13.473 -1.583 613 HB3 ASN 84 HB3 ASN 84 -0.113 -14.233 -3.024 614 HD21 ASN 84 HD21 ASN 84 -0.658 -12.968 -4.777 615 HD22 ASN 84 HD22 ASN 84 -0.282 -11.280 -4.855 616 H GLN 85 H GLN 85 -2.410 -15.219 -3.385 617 HA GLN 85 HA GLN 85 -3.933 -13.507 -5.047 618 HB2 GLN 85 HB2 GLN 85 -2.862 -15.657 -5.780 619 HB3 GLN 85 HB3 GLN 85 -4.009 -16.546 -4.811 620 HG2 GLN 85 HG2 GLN 85 -4.857 -14.755 -7.084 621 HG3 GLN 85 HG3 GLN 85 -4.411 -16.436 -7.323 622 HE21 GLN 85 HE21 GLN 85 -6.920 -15.045 -7.782 623 HE22 GLN 85 HE22 GLN 85 -8.115 -15.907 -6.870 624 H LEU 86 H LEU 86 -4.794 -15.846 -2.536 625 HA LEU 86 HA LEU 86 -7.570 -15.626 -2.576 626 HB2 LEU 86 HB2 LEU 86 -5.838 -16.105 -0.157 627 HB3 LEU 86 HB3 LEU 86 -7.547 -16.431 -0.270 628 HG LEU 86 HG LEU 86 -5.345 -17.886 -1.750 629 HD11 LEU 86 HD11 LEU 86 -5.961 -19.760 -0.393 630 HD12 LEU 86 HD12 LEU 86 -7.249 -18.809 0.348 631 HD13 LEU 86 HD13 LEU 86 -5.556 -18.379 0.648 632 HD21 LEU 86 HD21 LEU 86 -8.311 -18.382 -1.765 633 HD22 LEU 86 HD22 LEU 86 -7.070 -19.431 -2.435 634 HD23 LEU 86 HD23 LEU 86 -7.340 -17.829 -3.150 635 H MET 87 H MET 87 -5.201 -13.352 -1.427 636 HA MET 87 HA MET 87 -6.969 -12.012 0.473 637 HB2 MET 87 HB2 MET 87 -4.274 -11.160 -0.612 638 HB3 MET 87 HB3 MET 87 -5.161 -10.359 0.657 639 HG2 MET 87 HG2 MET 87 -4.815 -12.290 2.095 640 HG3 MET 87 HG3 MET 87 -3.916 -13.089 0.794 641 HE1 MET 87 HE1 MET 87 -1.677 -13.374 2.145 642 HE2 MET 87 HE2 MET 87 -2.505 -12.745 3.578 643 HE3 MET 87 HE3 MET 87 -0.939 -12.086 3.099 644 H LEU 88 H LEU 88 -5.110 -11.252 -2.386 645 HA LEU 88 HA LEU 88 -6.128 -8.700 -2.663 646 HB2 LEU 88 HB2 LEU 88 -3.974 -8.925 -3.235 647 HB3 LEU 88 HB3 LEU 88 -4.194 -10.516 -3.932 648 HG LEU 88 HG LEU 88 -5.312 -9.580 -5.672 649 HD11 LEU 88 HD11 LEU 88 -5.997 -7.347 -4.787 650 HD12 LEU 88 HD12 LEU 88 -4.947 -7.015 -6.167 651 HD13 LEU 88 HD13 LEU 88 -4.313 -6.904 -4.524 652 HD21 LEU 88 HD21 LEU 88 -2.499 -8.646 -5.271 653 HD22 LEU 88 HD22 LEU 88 -3.273 -8.643 -6.855 654 HD23 LEU 88 HD23 LEU 88 -3.050 -10.170 -5.977 655 H SER 89 H SER 89 -6.636 -11.735 -4.517 656 HA SER 89 HA SER 89 -8.164 -10.311 -6.426 657 HB2 SER 89 HB2 SER 89 -7.795 -13.284 -6.065 658 HB3 SER 89 HB3 SER 89 -8.452 -12.490 -7.500 659 HG SER 89 HG SER 89 -6.283 -11.246 -7.172 660 H ARG 90 H ARG 90 -8.956 -10.927 -3.395 661 HA ARG 90 HA ARG 90 -11.754 -11.516 -3.962 662 HB2 ARG 90 HB2 ARG 90 -10.403 -13.300 -2.830 663 HB3 ARG 90 HB3 ARG 90 -10.148 -12.181 -1.507 664 HG2 ARG 90 HG2 ARG 90 -12.499 -12.096 -1.103 665 HG3 ARG 90 HG3 ARG 90 -12.784 -13.207 -2.455 666 HD2 ARG 90 HD2 ARG 90 -11.144 -13.754 -0.015 667 HD3 ARG 90 HD3 ARG 90 -12.770 -14.404 -0.291 668 HE ARG 90 HE ARG 90 -10.629 -14.994 -2.201 669 HH11 ARG 90 HH11 ARG 90 -12.863 -16.286 0.307 670 HH12 ARG 90 HH12 ARG 90 -12.346 -17.896 0.002 671 HH21 ARG 90 HH21 ARG 90 -10.074 -17.346 -2.512 672 HH22 ARG 90 HH22 ARG 90 -10.900 -18.447 -1.472 673 H SER 91 H SER 91 -9.714 -9.164 -3.451 674 HA SER 91 HA SER 91 -11.406 -7.623 -1.628 675 HB2 SER 91 HB2 SER 91 -8.384 -7.484 -1.984 676 HB3 SER 91 HB3 SER 91 -9.329 -6.389 -0.977 677 HG SER 91 HG SER 91 -8.811 -9.128 -0.658 678 HA PRO 92 HA PRO 92 -11.515 -4.788 -5.082 679 HB2 PRO 92 HB2 PRO 92 -11.464 -2.355 -3.575 680 HB3 PRO 92 HB3 PRO 92 -12.892 -3.228 -4.164 681 HG2 PRO 92 HG2 PRO 92 -12.259 -2.933 -1.514 682 HG3 PRO 92 HG3 PRO 92 -13.287 -4.218 -2.176 683 HD2 PRO 92 HD2 PRO 92 -10.412 -4.334 -1.392 684 HD3 PRO 92 HD3 PRO 92 -11.697 -5.544 -1.177 685 H GLU 93 H GLU 93 -10.251 -3.718 -6.483 686 HA GLU 93 HA GLU 93 -7.568 -2.963 -5.720 687 HB2 GLU 93 HB2 GLU 93 -8.980 -3.499 -8.331 688 HB3 GLU 93 HB3 GLU 93 -7.451 -2.639 -8.299 689 HG2 GLU 93 HG2 GLU 93 -7.725 -5.317 -6.986 690 HG3 GLU 93 HG3 GLU 93 -7.457 -5.184 -8.724 Start of MODEL 17 1 H ASP 14 HT1 ASP 14 -2.746 -6.956 -9.402 2 HA ASP 14 HA ASP 14 -0.247 -5.516 -9.033 3 HB2 ASP 14 HB2 ASP 14 -1.862 -3.762 -8.317 4 HB3 ASP 14 HB3 ASP 14 -2.140 -4.241 -9.992 5 H ASN 15 H ASN 15 -0.766 -4.482 -6.588 6 HA ASN 15 HA ASN 15 -1.556 -6.726 -4.937 7 HB2 ASN 15 HB2 ASN 15 0.382 -6.269 -3.401 8 HB3 ASN 15 HB3 ASN 15 0.851 -6.918 -4.962 9 HD21 ASN 15 HD21 ASN 15 2.347 -5.344 -2.956 10 HD22 ASN 15 HD22 ASN 15 2.934 -3.963 -3.823 11 H ARG 16 H ARG 16 -3.083 -6.127 -3.703 12 HA ARG 16 HA ARG 16 -3.248 -3.302 -2.803 13 HB2 ARG 16 HB2 ARG 16 -5.545 -5.287 -3.000 14 HB3 ARG 16 HB3 ARG 16 -5.657 -3.534 -2.814 15 HG2 ARG 16 HG2 ARG 16 -5.118 -3.184 -5.032 16 HG3 ARG 16 HG3 ARG 16 -4.390 -4.782 -5.201 17 HD2 ARG 16 HD2 ARG 16 -6.735 -5.684 -4.720 18 HD3 ARG 16 HD3 ARG 16 -7.300 -4.045 -5.113 19 HE ARG 16 HE ARG 16 -5.633 -4.666 -7.114 20 HH11 ARG 16 HH11 ARG 16 -8.458 -6.329 -5.756 21 HH12 ARG 16 HH12 ARG 16 -8.823 -7.194 -7.175 22 HH21 ARG 16 HH21 ARG 16 -6.010 -5.884 -8.977 23 HH22 ARG 16 HH22 ARG 16 -7.367 -6.917 -9.139 24 H HIS 17 H HIS 17 -5.198 -5.943 -1.578 25 HA HIS 17 HA HIS 17 -4.370 -5.550 1.098 26 HB2 HIS 17 HB2 HIS 17 -6.062 -7.679 -0.243 27 HB3 HIS 17 HB3 HIS 17 -5.780 -7.606 1.495 28 HD1 HIS 17 HD1 HIS 17 -7.503 -6.332 2.769 29 HD2 HIS 17 HD2 HIS 17 -7.317 -5.167 -1.208 30 HE1 HIS 17 HE1 HIS 17 -9.340 -4.641 2.448 31 H ALA 18 H ALA 18 -3.388 -7.361 -1.502 32 HA ALA 18 HA ALA 18 -1.910 -9.391 -0.343 33 HB1 ALA 18 HB1 ALA 18 -2.530 -9.324 -2.622 34 HB2 ALA 18 HB2 ALA 18 -0.777 -9.558 -2.480 35 HB3 ALA 18 HB3 ALA 18 -1.440 -7.973 -2.956 36 H ALA 19 H ALA 19 -1.287 -6.008 -0.248 37 HA ALA 19 HA ALA 19 1.539 -6.275 0.281 38 HB1 ALA 19 HB1 ALA 19 -0.337 -4.042 1.051 39 HB2 ALA 19 HB2 ALA 19 0.510 -4.138 -0.491 40 HB3 ALA 19 HB3 ALA 19 1.430 -3.999 1.029 41 H ASP 20 H ASP 20 -1.364 -6.713 2.118 42 HA ASP 20 HA ASP 20 -0.050 -6.549 4.676 43 HB2 ASP 20 HB2 ASP 20 -2.433 -5.940 4.392 44 HB3 ASP 20 HB3 ASP 20 -2.780 -7.591 3.893 45 H TYR 21 H TYR 21 -0.571 -8.753 2.268 46 HA TYR 21 HA TYR 21 -0.193 -11.291 3.374 47 HB2 TYR 21 HB2 TYR 21 -0.782 -11.280 1.152 48 HB3 TYR 21 HB3 TYR 21 0.240 -9.923 0.783 49 HD1 TYR 21 HD1 TYR 21 2.759 -10.398 0.410 50 HD2 TYR 21 HD2 TYR 21 -0.204 -13.436 0.596 51 HE1 TYR 21 HE1 TYR 21 4.227 -11.892 -0.879 52 HE2 TYR 21 HE2 TYR 21 1.269 -14.932 -0.656 53 HH TYR 21 HH TYR 21 4.539 -14.379 -1.261 54 H GLN 22 H GLN 22 1.996 -8.655 2.842 55 HA GLN 22 HA GLN 22 4.461 -10.012 3.070 56 HB2 GLN 22 HB2 GLN 22 4.243 -7.711 2.203 57 HB3 GLN 22 HB3 GLN 22 3.751 -7.164 3.792 58 HG2 GLN 22 HG2 GLN 22 6.027 -6.594 3.509 59 HG3 GLN 22 HG3 GLN 22 5.926 -7.926 4.671 60 HE21 GLN 22 HE21 GLN 22 6.845 -6.996 1.477 61 HE22 GLN 22 HE22 GLN 22 7.793 -8.389 1.085 62 H GLN 23 H GLN 23 2.382 -8.343 5.385 63 HA GLN 23 HA GLN 23 4.007 -8.674 7.625 64 HB2 GLN 23 HB2 GLN 23 1.006 -8.385 7.466 65 HB3 GLN 23 HB3 GLN 23 1.827 -8.536 9.005 66 HG2 GLN 23 HG2 GLN 23 1.348 -6.233 8.588 67 HG3 GLN 23 HG3 GLN 23 3.086 -6.473 8.484 68 HE21 GLN 23 HE21 GLN 23 0.158 -5.880 6.687 69 HE22 GLN 23 HE22 GLN 23 0.966 -5.260 5.288 70 H LEU 24 H LEU 24 1.427 -10.699 6.384 71 HA LEU 24 HA LEU 24 1.321 -12.776 8.258 72 HB2 LEU 24 HB2 LEU 24 -0.214 -12.664 6.398 73 HB3 LEU 24 HB3 LEU 24 1.099 -12.867 5.253 74 HG LEU 24 HG LEU 24 1.480 -15.072 6.580 75 HD11 LEU 24 HD11 LEU 24 -0.569 -16.164 7.243 76 HD12 LEU 24 HD12 LEU 24 -1.412 -14.618 7.104 77 HD13 LEU 24 HD13 LEU 24 -0.098 -14.817 8.269 78 HD21 LEU 24 HD21 LEU 24 -0.025 -16.244 5.012 79 HD22 LEU 24 HD22 LEU 24 1.163 -15.194 4.318 80 HD23 LEU 24 HD23 LEU 24 -0.542 -14.661 4.397 81 H ARG 25 H ARG 25 3.123 -12.597 5.269 82 HA ARG 25 HA ARG 25 4.551 -14.900 5.161 83 HB2 ARG 25 HB2 ARG 25 4.132 -13.165 3.482 84 HB3 ARG 25 HB3 ARG 25 5.230 -12.122 4.335 85 HG2 ARG 25 HG2 ARG 25 7.043 -13.675 3.795 86 HG3 ARG 25 HG3 ARG 25 5.866 -14.624 2.853 87 HD2 ARG 25 HD2 ARG 25 5.327 -12.642 1.510 88 HD3 ARG 25 HD3 ARG 25 6.493 -11.697 2.420 89 HE ARG 25 HE ARG 25 7.027 -13.785 0.461 90 HH11 ARG 25 HH11 ARG 25 8.218 -11.108 2.471 91 HH12 ARG 25 HH12 ARG 25 9.784 -11.098 1.793 92 HH21 ARG 25 HH21 ARG 25 9.038 -13.748 -0.493 93 HH22 ARG 25 HH22 ARG 25 10.310 -12.696 -0.038 94 H GLU 26 H GLU 26 5.476 -11.790 6.640 95 HA GLU 26 HA GLU 26 8.099 -12.494 7.503 96 HB2 GLU 26 HB2 GLU 26 7.204 -10.195 7.199 97 HB3 GLU 26 HB3 GLU 26 6.215 -10.444 8.625 98 HG2 GLU 26 HG2 GLU 26 9.184 -10.754 8.691 99 HG3 GLU 26 HG3 GLU 26 8.422 -9.188 8.839 100 H ARG 27 H ARG 27 5.104 -12.198 9.422 101 HA ARG 27 HA ARG 27 6.506 -13.129 11.697 102 HB2 ARG 27 HB2 ARG 27 4.338 -11.722 11.586 103 HB3 ARG 27 HB3 ARG 27 3.575 -13.322 11.644 104 HG2 ARG 27 HG2 ARG 27 4.870 -13.902 13.594 105 HG3 ARG 27 HG3 ARG 27 5.626 -12.317 13.576 106 HD2 ARG 27 HD2 ARG 27 3.981 -12.280 15.181 107 HD3 ARG 27 HD3 ARG 27 3.386 -11.361 13.781 108 HE ARG 27 HE ARG 27 1.722 -12.877 13.482 109 HH11 ARG 27 HH11 ARG 27 4.066 -14.324 15.770 110 HH12 ARG 27 HH12 ARG 27 3.081 -15.719 16.016 111 HH21 ARG 27 HH21 ARG 27 0.421 -14.879 13.975 112 HH22 ARG 27 HH22 ARG 27 1.144 -16.021 15.029 113 H LEU 28 H LEU 28 5.006 -14.840 9.168 114 HA LEU 28 HA LEU 28 4.605 -17.285 10.573 115 HB2 LEU 28 HB2 LEU 28 5.035 -16.653 7.668 116 HB3 LEU 28 HB3 LEU 28 4.894 -18.301 8.234 117 HG LEU 28 HG LEU 28 2.736 -16.239 8.662 118 HD11 LEU 28 HD11 LEU 28 3.144 -16.543 6.310 119 HD12 LEU 28 HD12 LEU 28 1.631 -17.335 6.774 120 HD13 LEU 28 HD13 LEU 28 3.091 -18.292 6.497 121 HD21 LEU 28 HD21 LEU 28 2.767 -19.248 8.766 122 HD22 LEU 28 HD22 LEU 28 1.359 -18.213 8.989 123 HD23 LEU 28 HD23 LEU 28 2.677 -18.167 10.160 124 H ILE 29 H ILE 29 7.263 -15.840 8.824 125 HA ILE 29 HA ILE 29 9.068 -17.941 8.881 126 HB ILE 29 HB ILE 29 9.343 -14.936 8.840 127 HG12 ILE 29 HG12 ILE 29 10.039 -17.083 6.825 128 HG13 ILE 29 HG11 ILE 29 8.580 -16.104 6.826 129 HG21 ILE 29 HG21 ILE 29 11.231 -15.654 10.108 130 HG22 ILE 29 HG22 ILE 29 11.757 -15.124 8.503 131 HG23 ILE 29 HG23 ILE 29 11.668 -16.854 8.886 132 HD11 ILE 29 HD11 ILE 29 10.178 -15.321 5.188 133 HD12 ILE 29 HD12 ILE 29 11.394 -15.109 6.444 134 HD13 ILE 29 HD13 ILE 29 9.937 -14.104 6.442 135 H GLN 30 H GLN 30 8.466 -15.428 11.269 136 HA GLN 30 HA GLN 30 10.285 -16.569 13.131 137 HB2 GLN 30 HB2 GLN 30 8.240 -14.410 13.354 138 HB3 GLN 30 HB3 GLN 30 9.125 -14.972 14.775 139 HG2 GLN 30 HG2 GLN 30 11.232 -14.387 13.566 140 HG3 GLN 30 HG3 GLN 30 10.240 -13.690 12.285 141 HE21 GLN 30 HE21 GLN 30 9.234 -11.694 12.625 142 HE22 GLN 30 HE22 GLN 30 9.545 -10.753 14.018 143 H GLU 31 H GLU 31 6.762 -16.877 12.727 144 HA GLU 31 HA GLU 31 6.500 -18.213 15.253 145 HB2 GLU 31 HB2 GLU 31 4.612 -16.873 14.139 146 HB3 GLU 31 HB3 GLU 31 4.433 -18.228 13.056 147 HG2 GLU 31 HG2 GLU 31 3.765 -19.711 14.756 148 HG3 GLU 31 HG3 GLU 31 4.270 -18.610 16.026 149 H LEU 32 H LEU 32 7.125 -19.325 12.014 150 HA LEU 32 HA LEU 32 6.747 -22.080 12.754 151 HB2 LEU 32 HB2 LEU 32 7.729 -20.683 10.285 152 HB3 LEU 32 HB3 LEU 32 7.991 -22.397 10.490 153 HG LEU 32 HG LEU 32 5.552 -22.743 10.597 154 HD11 LEU 32 HD11 LEU 32 4.744 -20.662 11.422 155 HD12 LEU 32 HD12 LEU 32 4.044 -20.952 9.815 156 HD13 LEU 32 HD13 LEU 32 5.371 -19.816 10.011 157 HD21 LEU 32 HD21 LEU 32 5.101 -22.311 8.220 158 HD22 LEU 32 HD22 LEU 32 6.695 -23.019 8.515 159 HD23 LEU 32 HD23 LEU 32 6.545 -21.296 8.168 160 H ASN 33 H ASN 33 9.027 -19.774 13.395 161 HA ASN 33 HA ASN 33 11.196 -19.702 14.075 162 HB2 ASN 33 HB2 ASN 33 10.213 -21.475 15.671 163 HB3 ASN 33 HB3 ASN 33 10.897 -22.689 14.605 164 HD21 ASN 33 HD21 ASN 33 13.146 -22.922 14.556 165 HD22 ASN 33 HD22 ASN 33 14.173 -22.303 15.817 166 H LEU 34 H LEU 34 10.886 -19.770 11.454 167 HA LEU 34 HA LEU 34 12.809 -21.736 10.444 168 HB2 LEU 34 HB2 LEU 34 10.121 -21.440 9.759 169 HB3 LEU 34 HB3 LEU 34 10.991 -20.581 8.513 170 HG LEU 34 HG LEU 34 12.244 -22.543 7.918 171 HD11 LEU 34 HD11 LEU 34 11.699 -24.729 8.923 172 HD12 LEU 34 HD12 LEU 34 10.721 -23.909 10.142 173 HD13 LEU 34 HD13 LEU 34 12.462 -23.632 10.065 174 HD21 LEU 34 HD21 LEU 34 9.291 -23.061 8.147 175 HD22 LEU 34 HD22 LEU 34 10.400 -23.915 7.076 176 HD23 LEU 34 HD23 LEU 34 10.102 -22.193 6.842 177 H THR 35 H THR 35 13.779 -20.888 8.323 178 HA THR 35 HA THR 35 14.462 -18.102 8.777 179 HB THR 35 HB THR 35 16.525 -18.628 7.444 180 HG1 THR 35 HG1 THR 35 16.564 -21.255 7.629 181 HG21 THR 35 HG21 THR 35 17.628 -19.992 9.171 182 HG22 THR 35 HG22 THR 35 16.045 -20.449 9.803 183 HG23 THR 35 HG23 THR 35 16.578 -18.770 9.900 184 HA PRO 36 HA PRO 36 12.440 -16.851 5.027 185 HB2 PRO 36 HB2 PRO 36 14.900 -15.418 4.190 186 HB3 PRO 36 HB3 PRO 36 13.274 -14.773 4.484 187 HG2 PRO 36 HG2 PRO 36 15.210 -14.288 6.197 188 HG3 PRO 36 HG3 PRO 36 13.564 -14.641 6.759 189 HD2 PRO 36 HD2 PRO 36 15.957 -16.424 6.737 190 HD3 PRO 36 HD3 PRO 36 14.694 -16.229 7.971 191 H GLN 37 H GLN 37 15.454 -18.493 4.795 192 HA GLN 37 HA GLN 37 15.095 -18.926 1.910 193 HB2 GLN 37 HB2 GLN 37 17.421 -19.695 3.680 194 HB3 GLN 37 HB3 GLN 37 17.350 -19.903 1.937 195 HG2 GLN 37 HG2 GLN 37 17.211 -17.463 1.669 196 HG3 GLN 37 HG3 GLN 37 17.330 -17.279 3.415 197 HE21 GLN 37 HE21 GLN 37 19.299 -19.505 3.600 198 HE22 GLN 37 HE22 GLN 37 20.770 -18.812 3.004 199 H GLN 38 H GLN 38 14.275 -20.373 4.824 200 HA GLN 38 HA GLN 38 14.350 -23.044 3.716 201 HB2 GLN 38 HB2 GLN 38 15.092 -22.667 6.043 202 HB3 GLN 38 HB3 GLN 38 13.528 -21.957 6.414 203 HG2 GLN 38 HG2 GLN 38 13.480 -24.124 7.250 204 HG3 GLN 38 HG3 GLN 38 12.509 -24.089 5.770 205 HE21 GLN 38 HE21 GLN 38 13.749 -26.361 7.122 206 HE22 GLN 38 HE22 GLN 38 14.802 -27.078 5.944 207 H LEU 39 H LEU 39 12.261 -20.436 4.806 208 HA LEU 39 HA LEU 39 9.892 -21.911 4.001 209 HB2 LEU 39 HB2 LEU 39 10.121 -20.315 6.108 210 HB3 LEU 39 HB3 LEU 39 9.947 -19.044 4.932 211 HG LEU 39 HG LEU 39 7.889 -21.191 5.481 212 HD11 LEU 39 HD11 LEU 39 7.976 -18.310 6.339 213 HD12 LEU 39 HD12 LEU 39 8.155 -19.721 7.381 214 HD13 LEU 39 HD13 LEU 39 6.621 -19.414 6.567 215 HD21 LEU 39 HD21 LEU 39 6.380 -19.744 4.187 216 HD22 LEU 39 HD22 LEU 39 7.741 -20.340 3.227 217 HD23 LEU 39 HD23 LEU 39 7.753 -18.680 3.834 218 H HIS 40 H HIS 40 10.514 -22.084 1.934 219 HA HIS 40 HA HIS 40 10.633 -19.903 0.081 220 HB2 HIS 40 HB2 HIS 40 11.234 -22.536 -0.009 221 HB3 HIS 40 HB3 HIS 40 9.574 -22.658 -0.544 222 HD1 HIS 40 HD1 HIS 40 9.236 -20.797 -2.843 223 HD2 HIS 40 HD2 HIS 40 12.940 -22.497 -2.015 224 HE1 HIS 40 HE1 HIS 40 10.364 -20.917 -4.967 225 H GLU 41 H GLU 41 8.684 -18.805 -0.665 226 HA GLU 41 HA GLU 41 6.549 -19.240 1.135 227 HB2 GLU 41 HB2 GLU 41 5.512 -17.199 0.148 228 HB3 GLU 41 HB3 GLU 41 7.129 -17.005 0.786 229 HG2 GLU 41 HG2 GLU 41 7.926 -17.235 -1.605 230 HG3 GLU 41 HG3 GLU 41 6.229 -17.044 -2.065 231 H GLU 42 H GLU 42 6.918 -20.209 -2.081 232 HA GLU 42 HA GLU 42 4.153 -21.013 -2.275 233 HB2 GLU 42 HB2 GLU 42 4.999 -22.215 -4.435 234 HB3 GLU 42 HB3 GLU 42 4.966 -20.457 -4.424 235 HG2 GLU 42 HG2 GLU 42 7.420 -22.074 -3.855 236 HG3 GLU 42 HG3 GLU 42 6.920 -21.620 -5.485 237 H SER 43 H SER 43 6.395 -22.147 -0.372 238 HA SER 43 HA SER 43 5.893 -24.969 -0.794 239 HB2 SER 43 HB2 SER 43 7.525 -23.409 1.188 240 HB3 SER 43 HB3 SER 43 7.432 -25.154 1.289 241 HG SER 43 HG SER 43 8.097 -23.845 -1.105 242 H ASN 44 H ASN 44 4.931 -26.265 0.856 243 HA ASN 44 HA ASN 44 2.501 -25.221 1.901 244 HB2 ASN 44 HB2 ASN 44 3.272 -27.849 1.484 245 HB3 ASN 44 HB3 ASN 44 3.846 -27.534 3.064 246 HD21 ASN 44 HD21 ASN 44 1.628 -29.249 2.074 247 HD22 ASN 44 HD22 ASN 44 0.312 -28.869 3.132 248 H LEU 45 H LEU 45 2.256 -24.109 3.716 249 HA LEU 45 HA LEU 45 4.460 -23.520 5.422 250 HB2 LEU 45 HB2 LEU 45 1.528 -22.994 5.825 251 HB3 LEU 45 HB3 LEU 45 2.823 -22.299 6.780 252 HG LEU 45 HG LEU 45 2.408 -21.874 3.846 253 HD11 LEU 45 HD11 LEU 45 1.790 -19.573 4.532 254 HD12 LEU 45 HD12 LEU 45 1.873 -20.096 6.217 255 HD13 LEU 45 HD13 LEU 45 0.664 -20.792 5.134 256 HD21 LEU 45 HD21 LEU 45 4.753 -21.695 4.432 257 HD22 LEU 45 HD22 LEU 45 4.364 -20.653 5.789 258 HD23 LEU 45 HD23 LEU 45 4.113 -20.070 4.140 259 H ILE 46 H ILE 46 1.783 -25.696 5.582 260 HA ILE 46 HA ILE 46 2.069 -26.438 8.309 261 HB ILE 46 HB ILE 46 0.874 -28.015 6.000 262 HG12 ILE 46 HG12 ILE 46 -0.409 -26.247 8.104 263 HG13 ILE 46 HG11 ILE 46 -0.248 -25.890 6.389 264 HG21 ILE 46 HG21 ILE 46 0.602 -28.494 8.975 265 HG22 ILE 46 HG22 ILE 46 1.470 -29.520 7.833 266 HG23 ILE 46 HG23 ILE 46 -0.281 -29.355 7.714 267 HD11 ILE 46 HD11 ILE 46 -1.753 -27.743 5.862 268 HD12 ILE 46 HD12 ILE 46 -2.513 -26.581 6.949 269 HD13 ILE 46 HD13 ILE 46 -1.902 -28.109 7.581 270 H GLN 47 H GLN 47 3.420 -27.646 5.336 271 HA GLN 47 HA GLN 47 4.875 -29.772 6.632 272 HB2 GLN 47 HB2 GLN 47 4.918 -28.748 3.801 273 HB3 GLN 47 HB3 GLN 47 5.884 -30.077 4.256 274 HG2 GLN 47 HG2 GLN 47 3.864 -31.333 4.937 275 HG3 GLN 47 HG3 GLN 47 2.883 -29.973 4.394 276 HE21 GLN 47 HE21 GLN 47 4.928 -32.595 3.409 277 HE22 GLN 47 HE22 GLN 47 4.482 -32.559 1.737 278 H ALA 48 H ALA 48 5.354 -26.494 6.243 279 HA ALA 48 HA ALA 48 8.245 -26.606 6.295 280 HB1 ALA 48 HB1 ALA 48 8.122 -24.146 6.344 281 HB2 ALA 48 HB2 ALA 48 6.371 -24.230 6.514 282 HB3 ALA 48 HB3 ALA 48 7.136 -24.800 5.039 283 H GLY 49 H GLY 49 5.554 -26.128 8.464 284 HA2 GLY 49 HA2 GLY 49 6.417 -27.127 10.739 285 HA3 GLY 49 HA3 GLY 49 7.379 -25.658 10.707 286 H LEU 50 H LEU 50 3.976 -26.347 9.898 287 HA LEU 50 HA LEU 50 3.012 -24.424 11.949 288 HB2 LEU 50 HB2 LEU 50 3.315 -23.309 9.681 289 HB3 LEU 50 HB3 LEU 50 2.196 -24.479 9.032 290 HG LEU 50 HG LEU 50 0.462 -23.578 10.607 291 HD11 LEU 50 HD11 LEU 50 0.865 -21.376 11.555 292 HD12 LEU 50 HD12 LEU 50 2.547 -21.453 11.039 293 HD13 LEU 50 HD13 LEU 50 1.941 -22.586 12.247 294 HD21 LEU 50 HD21 LEU 50 1.686 -21.624 8.676 295 HD22 LEU 50 HD22 LEU 50 0.035 -21.582 9.293 296 HD23 LEU 50 HD23 LEU 50 0.559 -22.917 8.262 297 H ASP 51 H ASP 51 1.308 -25.153 12.928 298 HA ASP 51 HA ASP 51 0.195 -27.676 12.032 299 HB2 ASP 51 HB2 ASP 51 -0.834 -27.639 14.378 300 HB3 ASP 51 HB3 ASP 51 0.917 -27.789 14.305 301 HA 4HH 52 HA 4HH 52 -3.549 -25.779 11.243 302 H 4HH 52 H 4HH 52 -2.321 -27.378 13.368 303 HB3 4HH 52 HB3 4HH 52 -4.196 -28.206 11.385 304 HB2 4HH 52 HB2 4HH 52 -5.545 -27.150 11.804 305 HJ3 4HH 52 HJ3 4HH 52 -6.823 -26.519 13.457 306 HJ2 4HH 52 HJ2 4HH 52 -7.441 -27.393 14.858 307 HL13 4HH 52 HL13 4HH 52 -8.484 -26.665 11.333 308 HL12 4HH 52 HL12 4HH 52 -8.724 -28.357 11.651 309 HL11 4HH 52 HL11 4HH 52 -10.096 -27.209 11.555 310 HL21 4HH 52 HL21 4HH 52 -10.155 -25.188 13.318 311 HL23 4HH 52 HL23 4HH 52 -8.768 -25.122 14.464 312 HL22 4HH 52 HL22 4HH 52 -8.546 -25.030 12.750 313 HL3 4HH 52 HL3 4HH 52 -9.602 -28.876 14.506 314 HM 4HH 52 HM 4HH 52 -10.600 -27.590 16.045 315 HN 4HH 52 HN 4HH 52 -11.981 -28.466 12.274 316 HO2 4HH 52 HO2 4HH 52 -11.504 -25.699 12.154 317 HO3 4HH 52 HO3 4HH 52 -13.120 -25.952 12.881 318 HP3 4HH 52 HP3 4HH 52 -12.124 -26.968 10.257 319 HP2 4HH 52 HP2 4HH 52 -13.736 -27.275 10.890 320 HS2 4HH 52 HS2 4HH 52 -12.565 -23.347 12.367 321 HS3 4HH 52 HS3 4HH 52 -14.178 -23.195 11.587 322 HT3 4HH 52 HT3 4HH 52 -11.791 -21.566 10.941 323 HT2 4HH 52 HT2 4HH 52 -13.301 -21.057 11.674 324 HR 4HH 52 HR 4HH 52 -11.992 -23.926 9.839 325 HU 4HH 52 HU 4HH 52 -14.853 -21.582 9.401 326 H ILE 53 H ILE 53 -2.688 -25.649 14.379 327 HA ILE 53 HA ILE 53 -4.991 -24.050 15.264 328 HB ILE 53 HB ILE 53 -2.505 -24.892 16.764 329 HG12 ILE 53 HG12 ILE 53 -3.932 -26.809 16.304 330 HG13 ILE 53 HG11 ILE 53 -4.034 -26.382 18.007 331 HG21 ILE 53 HG21 ILE 53 -3.406 -22.774 17.625 332 HG22 ILE 53 HG22 ILE 53 -3.687 -24.066 18.796 333 HG23 ILE 53 HG23 ILE 53 -5.004 -23.494 17.769 334 HD11 ILE 53 HD11 ILE 53 -6.101 -25.733 15.905 335 HD12 ILE 53 HD12 ILE 53 -6.194 -25.295 17.607 336 HD13 ILE 53 HD13 ILE 53 -6.217 -26.992 17.133 337 H ARG 54 H ARG 54 -1.515 -23.764 14.728 338 HA ARG 54 HA ARG 54 -1.558 -21.016 15.104 339 HB2 ARG 54 HB2 ARG 54 0.264 -22.893 13.766 340 HB3 ARG 54 HB3 ARG 54 0.477 -21.144 13.602 341 HG2 ARG 54 HG2 ARG 54 0.467 -20.932 16.000 342 HG3 ARG 54 HG3 ARG 54 0.325 -22.690 16.138 343 HD2 ARG 54 HD2 ARG 54 2.337 -21.389 14.532 344 HD3 ARG 54 HD3 ARG 54 2.636 -21.619 16.285 345 HE ARG 54 HE ARG 54 1.916 -24.069 15.447 346 HH11 ARG 54 HH11 ARG 54 4.497 -21.933 14.181 347 HH12 ARG 54 HH12 ARG 54 5.303 -23.245 13.463 348 HH21 ARG 54 HH21 ARG 54 3.042 -25.689 14.607 349 HH22 ARG 54 HH22 ARG 54 4.510 -25.458 13.707 350 H LEU 55 H LEU 55 -2.134 -23.085 12.335 351 HA LEU 55 HA LEU 55 -2.457 -21.115 10.350 352 HB2 LEU 55 HB2 LEU 55 -2.230 -23.671 10.124 353 HB3 LEU 55 HB3 LEU 55 -3.915 -23.762 10.548 354 HG LEU 55 HG LEU 55 -3.480 -24.069 8.126 355 HD11 LEU 55 HD11 LEU 55 -5.086 -22.544 7.225 356 HD12 LEU 55 HD12 LEU 55 -4.990 -21.576 8.690 357 HD13 LEU 55 HD13 LEU 55 -5.637 -23.239 8.765 358 HD21 LEU 55 HD21 LEU 55 -2.534 -21.251 8.266 359 HD22 LEU 55 HD22 LEU 55 -3.014 -22.099 6.807 360 HD23 LEU 55 HD23 LEU 55 -1.616 -22.687 7.744 361 H MET 56 H MET 56 -4.848 -22.632 12.578 362 HA MET 56 HA MET 56 -7.002 -21.135 11.526 363 HB2 MET 56 HB2 MET 56 -8.308 -21.795 13.583 364 HB3 MET 56 HB3 MET 56 -7.585 -23.148 12.724 365 HG2 MET 56 HG2 MET 56 -6.504 -23.707 14.425 366 HG3 MET 56 HG3 MET 56 -5.988 -22.064 14.904 367 HE1 MET 56 HE1 MET 56 -7.780 -20.408 15.967 368 HE2 MET 56 HE2 MET 56 -9.228 -20.952 16.827 369 HE3 MET 56 HE3 MET 56 -9.212 -20.934 15.067 370 H ARG 57 H ARG 57 -4.734 -20.388 14.033 371 HA ARG 57 HA ARG 57 -6.079 -18.272 15.112 372 HB2 ARG 57 HB2 ARG 57 -3.280 -18.975 14.886 373 HB3 ARG 57 HB3 ARG 57 -3.678 -17.387 15.547 374 HG2 ARG 57 HG2 ARG 57 -4.791 -18.288 17.354 375 HG3 ARG 57 HG3 ARG 57 -5.023 -19.847 16.550 376 HD2 ARG 57 HD2 ARG 57 -3.382 -20.084 18.184 377 HD3 ARG 57 HD3 ARG 57 -2.725 -20.170 16.532 378 HE ARG 57 HE ARG 57 -2.321 -17.965 18.447 379 HH11 ARG 57 HH11 ARG 57 -1.440 -19.281 15.250 380 HH12 ARG 57 HH12 ARG 57 0.131 -18.642 15.234 381 HH21 ARG 57 HH21 ARG 57 -0.071 -17.032 18.388 382 HH22 ARG 57 HH22 ARG 57 0.895 -17.377 17.013 383 H TRP 58 H TRP 58 -3.887 -18.599 12.377 384 HA TRP 58 HA TRP 58 -3.624 -15.902 11.660 385 HB2 TRP 58 HB2 TRP 58 -3.115 -18.481 10.253 386 HB3 TRP 58 HB3 TRP 58 -3.035 -16.985 9.342 387 HD1 TRP 58 HD1 TRP 58 -0.959 -19.198 11.411 388 HE1 TRP 58 HE1 TRP 58 1.268 -18.054 12.019 389 HE3 TRP 58 HE3 TRP 58 -2.147 -14.445 10.070 390 HZ2 TRP 58 HZ2 TRP 58 2.390 -15.396 11.855 391 HZ3 TRP 58 HZ3 TRP 58 -0.475 -12.675 10.311 392 HH2 TRP 58 HH2 TRP 58 1.721 -13.133 11.181 393 H LEU 59 H LEU 59 -6.044 -18.278 10.992 394 HA LEU 59 HA LEU 59 -7.358 -17.050 8.854 395 HB2 LEU 59 HB2 LEU 59 -7.973 -19.278 9.666 396 HB3 LEU 59 HB3 LEU 59 -8.611 -18.583 11.131 397 HG LEU 59 HG LEU 59 -10.197 -17.282 9.782 398 HD11 LEU 59 HD11 LEU 59 -9.034 -17.244 7.674 399 HD12 LEU 59 HD12 LEU 59 -10.598 -18.037 7.479 400 HD13 LEU 59 HD13 LEU 59 -9.120 -19.001 7.559 401 HD21 LEU 59 HD21 LEU 59 -11.606 -19.187 9.384 402 HD22 LEU 59 HD22 LEU 59 -10.668 -19.313 10.906 403 HD23 LEU 59 HD23 LEU 59 -10.146 -20.197 9.453 404 H HIS 60 H HIS 60 -7.701 -16.593 12.343 405 HA HIS 60 HA HIS 60 -9.782 -14.648 12.172 406 HB2 HIS 60 HB2 HIS 60 -7.651 -14.754 14.297 407 HB3 HIS 60 HB3 HIS 60 -9.231 -13.979 14.430 408 HD1 HIS 60 HD1 HIS 60 -11.202 -16.165 14.091 409 HD2 HIS 60 HD2 HIS 60 -7.428 -16.621 15.577 410 HE1 HIS 60 HE1 HIS 60 -11.316 -18.311 15.419 411 H TRP 61 H TRP 61 -6.267 -14.551 12.154 412 HA TRP 61 HA TRP 61 -5.906 -11.827 12.403 413 HB2 TRP 61 HB2 TRP 61 -3.985 -13.325 12.451 414 HB3 TRP 61 HB3 TRP 61 -4.257 -13.776 10.774 415 HD1 TRP 61 HD1 TRP 61 -2.923 -10.854 12.906 416 HE1 TRP 61 HE1 TRP 61 -1.489 -9.320 11.361 417 HE3 TRP 61 HE3 TRP 61 -3.859 -13.062 8.390 418 HZ2 TRP 61 HZ2 TRP 61 -0.857 -9.099 8.635 419 HZ3 TRP 61 HZ3 TRP 61 -2.795 -12.136 6.384 420 HH2 TRP 61 HH2 TRP 61 -1.328 -10.200 6.512 421 H PHE 62 H PHE 62 -6.450 -13.690 9.449 422 HA PHE 62 HA PHE 62 -6.544 -11.500 7.677 423 HB2 PHE 62 HB2 PHE 62 -7.777 -14.248 7.553 424 HB3 PHE 62 HB3 PHE 62 -7.955 -13.099 6.247 425 HD1 PHE 62 HD1 PHE 62 -5.900 -12.271 5.085 426 HD2 PHE 62 HD2 PHE 62 -5.869 -15.567 7.756 427 HE1 PHE 62 HE1 PHE 62 -3.791 -13.054 4.089 428 HE2 PHE 62 HE2 PHE 62 -3.768 -16.356 6.775 429 HZ PHE 62 HZ PHE 62 -2.720 -15.098 4.937 430 H ARG 63 H ARG 63 -9.123 -13.210 9.350 431 HA ARG 63 HA ARG 63 -11.318 -11.702 8.471 432 HB2 ARG 63 HB2 ARG 63 -10.714 -13.529 10.679 433 HB3 ARG 63 HB3 ARG 63 -12.089 -12.466 10.941 434 HG2 ARG 63 HG2 ARG 63 -11.814 -14.092 8.446 435 HG3 ARG 63 HG3 ARG 63 -12.490 -14.779 9.928 436 HD2 ARG 63 HD2 ARG 63 -14.305 -13.971 8.618 437 HD3 ARG 63 HD3 ARG 63 -14.051 -12.934 10.027 438 HE ARG 63 HE ARG 63 -13.073 -12.172 7.341 439 HH11 ARG 63 HH11 ARG 63 -14.736 -11.241 10.335 440 HH12 ARG 63 HH12 ARG 63 -15.226 -9.709 9.777 441 HH21 ARG 63 HH21 ARG 63 -13.885 -9.983 6.492 442 HH22 ARG 63 HH22 ARG 63 -14.731 -9.015 7.533 443 H LYS 64 H LYS 64 -9.034 -11.084 10.876 444 HA LYS 64 HA LYS 64 -10.341 -8.983 12.348 445 HB2 LYS 64 HB2 LYS 64 -8.702 -10.795 13.021 446 HB3 LYS 64 HB3 LYS 64 -7.487 -9.853 12.212 447 HG2 LYS 64 HG2 LYS 64 -7.906 -8.046 13.850 448 HG3 LYS 64 HG3 LYS 64 -9.013 -9.148 14.695 449 HD2 LYS 64 HD2 LYS 64 -7.021 -9.622 15.807 450 HD3 LYS 64 HD3 LYS 64 -7.003 -10.849 14.570 451 HE2 LYS 64 HE2 LYS 64 -5.461 -8.230 14.583 452 HE3 LYS 64 HE3 LYS 64 -4.805 -9.856 14.632 453 HZ1 LYS 64 HZ1 LYS 64 -5.652 -10.119 12.253 454 HZ2 LYS 64 HZ2 LYS 64 -4.504 -8.923 12.414 455 HZ3 LYS 64 HZ3 LYS 64 -6.075 -8.505 12.268 456 H ASN 65 H ASN 65 -8.540 -9.281 9.436 457 HA ASN 65 HA ASN 65 -7.742 -6.457 9.442 458 HB2 ASN 65 HB2 ASN 65 -6.631 -8.851 7.969 459 HB3 ASN 65 HB3 ASN 65 -6.313 -7.212 7.420 460 HD21 ASN 65 HD21 ASN 65 -4.058 -7.697 7.752 461 HD22 ASN 65 HD22 ASN 65 -3.370 -7.583 9.290 462 H GLY 66 H GLY 66 -10.002 -8.588 8.214 463 HA2 GLY 66 HA2 GLY 66 -11.912 -7.558 7.094 464 HA3 GLY 66 HA3 GLY 66 -10.773 -6.563 6.209 465 H TYR 67 H TYR 67 -10.438 -10.062 6.656 466 HA TYR 67 HA TYR 67 -11.202 -10.431 3.817 467 HB2 TYR 67 HB2 TYR 67 -9.199 -12.065 5.360 468 HB3 TYR 67 HB3 TYR 67 -9.561 -12.212 3.654 469 HD1 TYR 67 HD1 TYR 67 -8.102 -9.915 6.168 470 HD2 TYR 67 HD2 TYR 67 -8.194 -11.067 2.082 471 HE1 TYR 67 HE1 TYR 67 -6.184 -8.478 5.741 472 HE2 TYR 67 HE2 TYR 67 -6.252 -9.609 1.638 473 HH TYR 67 HH TYR 67 -4.468 -8.196 4.259 474 H ARG 68 H ARG 68 -13.098 -11.587 3.835 475 HA ARG 68 HA ARG 68 -13.569 -13.505 5.940 476 HB2 ARG 68 HB2 ARG 68 -15.297 -12.589 3.656 477 HB3 ARG 68 HB3 ARG 68 -15.672 -14.068 4.516 478 HG2 ARG 68 HG2 ARG 68 -15.946 -12.887 6.562 479 HG3 ARG 68 HG3 ARG 68 -15.396 -11.382 5.812 480 HD2 ARG 68 HD2 ARG 68 -17.824 -12.903 4.862 481 HD3 ARG 68 HD3 ARG 68 -17.909 -11.641 6.089 482 HE ARG 68 HE ARG 68 -17.178 -10.065 4.492 483 HH11 ARG 68 HH11 ARG 68 -17.814 -13.241 2.962 484 HH12 ARG 68 HH12 ARG 68 -17.936 -12.516 1.407 485 HH21 ARG 68 HH21 ARG 68 -17.575 -9.208 2.366 486 HH22 ARG 68 HH22 ARG 68 -17.848 -10.303 1.072 487 H LEU 69 H LEU 69 -11.850 -14.791 5.597 488 HA LEU 69 HA LEU 69 -12.011 -16.565 3.282 489 HB2 LEU 69 HB2 LEU 69 -9.829 -16.147 5.339 490 HB3 LEU 69 HB3 LEU 69 -9.777 -17.315 4.038 491 HG LEU 69 HG LEU 69 -9.894 -14.325 3.589 492 HD11 LEU 69 HD11 LEU 69 -7.814 -14.982 4.750 493 HD12 LEU 69 HD12 LEU 69 -7.529 -14.449 3.097 494 HD13 LEU 69 HD13 LEU 69 -7.502 -16.169 3.477 495 HD21 LEU 69 HD21 LEU 69 -10.705 -15.664 1.723 496 HD22 LEU 69 HD22 LEU 69 -9.232 -16.632 1.769 497 HD23 LEU 69 HD23 LEU 69 -9.149 -14.927 1.341 498 H THR 70 H THR 70 -12.463 -18.678 3.644 499 HA THR 70 HA THR 70 -13.298 -19.465 6.310 500 HB THR 70 HB THR 70 -13.113 -21.247 3.906 501 HG1 THR 70 HG1 THR 70 -14.183 -19.439 3.136 502 HG21 THR 70 HG21 THR 70 -15.099 -21.066 6.179 503 HG22 THR 70 HG22 THR 70 -13.793 -22.240 6.031 504 HG23 THR 70 HG23 THR 70 -15.136 -22.266 4.887 505 H LEU 71 H LEU 71 -12.171 -21.119 7.429 506 HA LEU 71 HA LEU 71 -9.370 -21.177 7.311 507 HB2 LEU 71 HB2 LEU 71 -10.824 -22.149 9.250 508 HB3 LEU 71 HB3 LEU 71 -10.981 -23.536 8.217 509 HG LEU 71 HG LEU 71 -8.569 -23.877 8.286 510 HD11 LEU 71 HD11 LEU 71 -8.634 -21.558 10.191 511 HD12 LEU 71 HD12 LEU 71 -7.812 -21.616 8.624 512 HD13 LEU 71 HD13 LEU 71 -7.270 -22.640 9.953 513 HD21 LEU 71 HD21 LEU 71 -10.025 -24.999 9.876 514 HD22 LEU 71 HD22 LEU 71 -9.885 -23.624 10.974 515 HD23 LEU 71 HD23 LEU 71 -8.466 -24.600 10.595 516 H ARG 72 H ARG 72 -11.739 -23.260 5.993 517 HA ARG 72 HA ARG 72 -10.193 -25.414 5.222 518 HB2 ARG 72 HB2 ARG 72 -12.749 -24.457 3.975 519 HB3 ARG 72 HB3 ARG 72 -12.113 -26.097 3.884 520 HG2 ARG 72 HG2 ARG 72 -12.348 -26.338 6.302 521 HG3 ARG 72 HG3 ARG 72 -12.934 -24.684 6.423 522 HD2 ARG 72 HD2 ARG 72 -14.837 -25.343 4.936 523 HD3 ARG 72 HD3 ARG 72 -14.278 -27.013 5.065 524 HE ARG 72 HE ARG 72 -14.614 -25.796 7.627 525 HH11 ARG 72 HH11 ARG 72 -16.441 -27.406 5.061 526 HH12 ARG 72 HH12 ARG 72 -17.731 -27.863 6.072 527 HH21 ARG 72 HH21 ARG 72 -16.301 -26.373 8.986 528 HH22 ARG 72 HH22 ARG 72 -17.661 -27.246 8.434 529 H GLU 73 H GLU 73 -10.754 -22.312 3.599 530 HA GLU 73 HA GLU 73 -9.948 -23.068 0.981 531 HB2 GLU 73 HB2 GLU 73 -10.012 -20.375 2.375 532 HB3 GLU 73 HB3 GLU 73 -9.642 -20.585 0.673 533 HG2 GLU 73 HG2 GLU 73 -11.837 -21.401 0.227 534 HG3 GLU 73 HG3 GLU 73 -12.235 -21.440 1.945 535 H LEU 74 H LEU 74 -8.319 -21.464 3.675 536 HA LEU 74 HA LEU 74 -5.784 -21.328 2.386 537 HB2 LEU 74 HB2 LEU 74 -6.467 -21.111 5.311 538 HB3 LEU 74 HB3 LEU 74 -4.882 -20.835 4.646 539 HG LEU 74 HG LEU 74 -6.014 -18.967 3.276 540 HD11 LEU 74 HD11 LEU 74 -8.239 -19.584 3.701 541 HD12 LEU 74 HD12 LEU 74 -7.871 -17.994 4.459 542 HD13 LEU 74 HD13 LEU 74 -7.917 -19.481 5.444 543 HD21 LEU 74 HD21 LEU 74 -5.761 -17.417 5.111 544 HD22 LEU 74 HD22 LEU 74 -4.442 -18.582 4.991 545 HD23 LEU 74 HD23 LEU 74 -5.697 -18.778 6.246 546 H TYR 75 H TYR 75 -7.402 -23.517 4.398 547 HA TYR 75 HA TYR 75 -5.211 -25.007 5.399 548 HB2 TYR 75 HB2 TYR 75 -7.546 -24.654 6.302 549 HB3 TYR 75 HB3 TYR 75 -8.102 -25.870 5.154 550 HD1 TYR 75 HD1 TYR 75 -5.087 -27.156 6.134 551 HD2 TYR 75 HD2 TYR 75 -8.851 -26.008 7.665 552 HE1 TYR 75 HE1 TYR 75 -4.768 -28.674 8.039 553 HE2 TYR 75 HE2 TYR 75 -8.651 -27.399 9.475 554 HH TYR 75 HH TYR 75 -7.272 -29.455 10.294 555 H ALA 76 H ALA 76 -7.260 -25.193 2.534 556 HA ALA 76 HA ALA 76 -6.441 -27.827 1.779 557 HB1 ALA 76 HB1 ALA 76 -7.628 -27.377 -0.312 558 HB2 ALA 76 HB2 ALA 76 -7.777 -25.676 0.132 559 HB3 ALA 76 HB3 ALA 76 -8.608 -26.910 1.079 560 H ALA 77 H ALA 77 -5.440 -24.561 1.034 561 HA ALA 77 HA ALA 77 -3.075 -25.674 -0.277 562 HB1 ALA 77 HB1 ALA 77 -4.620 -23.274 -1.287 563 HB2 ALA 77 HB2 ALA 77 -4.576 -24.862 -2.056 564 HB3 ALA 77 HB3 ALA 77 -3.108 -23.887 -1.954 565 HA PRO 78 HA PRO 78 -2.036 -22.576 2.912 566 HB2 PRO 78 HB2 PRO 78 -0.335 -24.328 4.317 567 HB3 PRO 78 HB3 PRO 78 -2.004 -23.916 4.755 568 HG2 PRO 78 HG2 PRO 78 -1.097 -26.424 3.920 569 HG3 PRO 78 HG3 PRO 78 -2.787 -25.907 4.080 570 HD2 PRO 78 HD2 PRO 78 -1.108 -26.130 1.647 571 HD3 PRO 78 HD3 PRO 78 -2.865 -26.313 1.841 572 H THR 79 H THR 79 -0.922 -21.555 1.248 573 HA THR 79 HA THR 79 1.964 -21.723 1.458 574 HB THR 79 HB THR 79 2.159 -21.484 -1.041 575 HG1 THR 79 HG1 THR 79 -0.549 -22.306 -1.019 576 HG21 THR 79 HG21 THR 79 2.566 -23.703 -0.074 577 HG22 THR 79 HG22 THR 79 1.806 -23.837 -1.660 578 HG23 THR 79 HG23 THR 79 0.843 -24.077 -0.195 579 H LEU 80 H LEU 80 2.837 -19.639 0.879 580 HA LEU 80 HA LEU 80 1.065 -17.482 1.329 581 HB2 LEU 80 HB2 LEU 80 3.895 -17.914 0.953 582 HB3 LEU 80 HB3 LEU 80 3.363 -16.404 0.225 583 HG LEU 80 HG LEU 80 4.214 -16.164 2.621 584 HD11 LEU 80 HD11 LEU 80 2.753 -14.583 1.582 585 HD12 LEU 80 HD12 LEU 80 2.665 -14.699 3.319 586 HD13 LEU 80 HD13 LEU 80 1.387 -15.425 2.314 587 HD21 LEU 80 HD21 LEU 80 3.357 -18.281 3.442 588 HD22 LEU 80 HD22 LEU 80 1.709 -17.602 3.333 589 HD23 LEU 80 HD23 LEU 80 2.939 -16.840 4.361 590 H ALA 81 H ALA 81 2.524 -18.941 -1.470 591 HA ALA 81 HA ALA 81 1.898 -17.104 -3.446 592 HB1 ALA 81 HB1 ALA 81 1.967 -20.103 -3.730 593 HB2 ALA 81 HB2 ALA 81 3.369 -19.035 -3.779 594 HB3 ALA 81 HB3 ALA 81 2.135 -18.928 -5.034 595 H ALA 82 H ALA 82 -0.157 -19.833 -2.300 596 HA ALA 82 HA ALA 82 -2.240 -19.168 -4.143 597 HB1 ALA 82 HB1 ALA 82 -2.388 -20.907 -1.688 598 HB2 ALA 82 HB2 ALA 82 -2.037 -21.462 -3.335 599 HB3 ALA 82 HB3 ALA 82 -3.614 -20.760 -2.940 600 H TRP 83 H TRP 83 -1.563 -18.405 -0.789 601 HA TRP 83 HA TRP 83 -4.123 -17.343 -0.280 602 HB2 TRP 83 HB2 TRP 83 -1.507 -16.837 1.117 603 HB3 TRP 83 HB3 TRP 83 -3.063 -16.238 1.682 604 HD1 TRP 83 HD1 TRP 83 -3.933 -19.515 0.458 605 HE1 TRP 83 HE1 TRP 83 -3.820 -21.286 2.257 606 HE3 TRP 83 HE3 TRP 83 -1.415 -16.885 3.841 607 HZ2 TRP 83 HZ2 TRP 83 -2.893 -21.516 4.862 608 HZ3 TRP 83 HZ3 TRP 83 -0.963 -17.931 6.114 609 HH2 TRP 83 HH2 TRP 83 -1.750 -20.247 6.561 610 H ASN 84 H ASN 84 -1.131 -15.899 -1.291 611 HA ASN 84 HA ASN 84 -1.733 -13.212 -1.574 612 HB2 ASN 84 HB2 ASN 84 0.375 -14.431 -2.396 613 HB3 ASN 84 HB3 ASN 84 -0.530 -14.822 -3.845 614 HD21 ASN 84 HD21 ASN 84 1.912 -13.284 -3.489 615 HD22 ASN 84 HD22 ASN 84 1.603 -11.733 -4.187 616 H GLN 85 H GLN 85 -2.478 -15.745 -3.913 617 HA GLN 85 HA GLN 85 -4.017 -14.342 -5.766 618 HB2 GLN 85 HB2 GLN 85 -3.144 -16.593 -6.156 619 HB3 GLN 85 HB3 GLN 85 -4.159 -17.244 -4.890 620 HG2 GLN 85 HG2 GLN 85 -5.049 -17.793 -7.069 621 HG3 GLN 85 HG3 GLN 85 -6.147 -16.710 -6.217 622 HE21 GLN 85 HE21 GLN 85 -3.914 -17.023 -8.850 623 HE22 GLN 85 HE22 GLN 85 -4.388 -15.560 -9.649 624 H LEU 86 H LEU 86 -5.015 -16.138 -2.896 625 HA LEU 86 HA LEU 86 -7.790 -15.770 -3.117 626 HB2 LEU 86 HB2 LEU 86 -6.148 -16.228 -0.640 627 HB3 LEU 86 HB3 LEU 86 -7.881 -16.434 -0.769 628 HG LEU 86 HG LEU 86 -5.812 -18.069 -2.243 629 HD11 LEU 86 HD11 LEU 86 -7.610 -18.824 0.019 630 HD12 LEU 86 HD12 LEU 86 -5.889 -18.454 0.164 631 HD13 LEU 86 HD13 LEU 86 -6.409 -19.863 -0.777 632 HD21 LEU 86 HD21 LEU 86 -8.805 -18.379 -2.087 633 HD22 LEU 86 HD22 LEU 86 -7.682 -19.519 -2.821 634 HD23 LEU 86 HD23 LEU 86 -7.880 -17.910 -3.523 635 H MET 87 H MET 87 -5.281 -13.692 -1.875 636 HA MET 87 HA MET 87 -7.047 -12.140 -0.149 637 HB2 MET 87 HB2 MET 87 -4.113 -11.944 -0.792 638 HB3 MET 87 HB3 MET 87 -4.916 -10.787 0.243 639 HG2 MET 87 HG2 MET 87 -5.443 -12.578 1.826 640 HG3 MET 87 HG3 MET 87 -4.717 -13.759 0.741 641 HE1 MET 87 HE1 MET 87 -2.375 -10.518 3.049 642 HE2 MET 87 HE2 MET 87 -4.110 -10.792 3.205 643 HE3 MET 87 HE3 MET 87 -3.452 -10.122 1.714 644 H LEU 88 H LEU 88 -5.171 -11.845 -3.072 645 HA LEU 88 HA LEU 88 -5.679 -9.153 -3.427 646 HB2 LEU 88 HB2 LEU 88 -3.698 -9.911 -4.257 647 HB3 LEU 88 HB3 LEU 88 -4.391 -11.402 -4.860 648 HG LEU 88 HG LEU 88 -5.535 -10.249 -6.398 649 HD11 LEU 88 HD11 LEU 88 -5.554 -7.910 -5.511 650 HD12 LEU 88 HD12 LEU 88 -4.736 -7.828 -7.070 651 HD13 LEU 88 HD13 LEU 88 -3.794 -7.840 -5.581 652 HD21 LEU 88 HD21 LEU 88 -2.559 -9.975 -6.561 653 HD22 LEU 88 HD22 LEU 88 -3.600 -9.764 -7.968 654 HD23 LEU 88 HD23 LEU 88 -3.571 -11.315 -7.115 655 H SER 89 H SER 89 -6.974 -12.099 -5.059 656 HA SER 89 HA SER 89 -8.468 -10.574 -6.840 657 HB2 SER 89 HB2 SER 89 -8.663 -13.485 -6.121 658 HB3 SER 89 HB3 SER 89 -9.553 -12.734 -7.451 659 HG SER 89 HG SER 89 -7.019 -13.592 -7.499 660 H ARG 90 H ARG 90 -9.341 -11.573 -3.620 661 HA ARG 90 HA ARG 90 -12.093 -10.774 -4.245 662 HB2 ARG 90 HB2 ARG 90 -12.825 -11.827 -2.215 663 HB3 ARG 90 HB3 ARG 90 -11.717 -12.933 -2.997 664 HG2 ARG 90 HG2 ARG 90 -9.959 -11.862 -1.404 665 HG3 ARG 90 HG3 ARG 90 -11.379 -11.361 -0.486 666 HD2 ARG 90 HD2 ARG 90 -10.575 -14.177 -1.223 667 HD3 ARG 90 HD3 ARG 90 -10.580 -13.458 0.379 668 HE ARG 90 HE ARG 90 -13.181 -13.281 -0.349 669 HH11 ARG 90 HH11 ARG 90 -10.961 -16.062 -0.479 670 HH12 ARG 90 HH12 ARG 90 -12.147 -17.207 -0.122 671 HH21 ARG 90 HH21 ARG 90 -14.725 -14.728 0.058 672 HH22 ARG 90 HH22 ARG 90 -14.413 -16.431 0.219 673 H SER 91 H SER 91 -9.267 -9.717 -2.620 674 HA SER 91 HA SER 91 -8.678 -8.043 -1.502 675 HB2 SER 91 HB2 SER 91 -10.673 -6.617 -3.267 676 HB3 SER 91 HB3 SER 91 -9.511 -5.741 -2.248 677 HG SER 91 HG SER 91 -8.613 -7.775 -3.957 678 HA PRO 92 HA PRO 92 -11.368 -6.879 1.964 679 HB2 PRO 92 HB2 PRO 92 -13.247 -4.947 1.784 680 HB3 PRO 92 HB3 PRO 92 -11.516 -4.598 1.610 681 HG2 PRO 92 HG2 PRO 92 -13.566 -4.427 -0.409 682 HG3 PRO 92 HG3 PRO 92 -11.865 -3.940 -0.504 683 HD2 PRO 92 HD2 PRO 92 -13.131 -6.437 -1.437 684 HD3 PRO 92 HD3 PRO 92 -11.602 -5.667 -1.921 685 H GLU 93 H GLU 93 -12.578 -8.443 2.900 686 HA GLU 93 HA GLU 93 -15.378 -8.534 2.255 687 HB2 GLU 93 HB2 GLU 93 -13.600 -10.979 2.176 688 HB3 GLU 93 HB3 GLU 93 -15.330 -11.069 2.467 689 HG2 GLU 93 HG2 GLU 93 -15.445 -9.689 0.224 690 HG3 GLU 93 HG3 GLU 93 -13.866 -10.431 -0.037 Start of MODEL 18 1 H ASP 14 HT1 ASP 14 3.370 -5.988 -3.537 2 HA ASP 14 HA ASP 14 2.033 -6.648 -5.453 3 HB2 ASP 14 HB2 ASP 14 0.179 -7.780 -4.287 4 HB3 ASP 14 HB3 ASP 14 1.618 -7.840 -3.264 5 H ASN 15 H ASN 15 -0.847 -6.539 -5.278 6 HA ASN 15 HA ASN 15 -1.394 -4.073 -6.518 7 HB2 ASN 15 HB2 ASN 15 -3.079 -6.308 -5.490 8 HB3 ASN 15 HB3 ASN 15 -3.813 -4.879 -6.221 9 HD21 ASN 15 HD21 ASN 15 -4.666 -5.826 -7.968 10 HD22 ASN 15 HD22 ASN 15 -3.755 -6.614 -9.209 11 H ARG 16 H ARG 16 -2.470 -5.455 -3.360 12 HA ARG 16 HA ARG 16 -2.930 -2.849 -2.207 13 HB2 ARG 16 HB2 ARG 16 -5.387 -4.512 -2.888 14 HB3 ARG 16 HB3 ARG 16 -5.367 -3.006 -1.998 15 HG2 ARG 16 HG2 ARG 16 -4.926 -1.764 -3.931 16 HG3 ARG 16 HG3 ARG 16 -4.437 -3.196 -4.837 17 HD2 ARG 16 HD2 ARG 16 -6.711 -4.049 -4.635 18 HD3 ARG 16 HD3 ARG 16 -7.218 -2.519 -3.887 19 HE ARG 16 HE ARG 16 -5.963 -2.626 -6.535 20 HH11 ARG 16 HH11 ARG 16 -8.881 -1.868 -4.635 21 HH12 ARG 16 HH12 ARG 16 -9.636 -1.180 -6.027 22 HH21 ARG 16 HH21 ARG 16 -7.029 -1.628 -8.234 23 HH22 ARG 16 HH22 ARG 16 -8.620 -0.977 -7.992 24 H HIS 17 H HIS 17 -4.797 -5.802 -1.954 25 HA HIS 17 HA HIS 17 -4.562 -5.963 0.967 26 HB2 HIS 17 HB2 HIS 17 -6.204 -7.420 -1.089 27 HB3 HIS 17 HB3 HIS 17 -6.184 -7.845 0.620 28 HD1 HIS 17 HD1 HIS 17 -7.156 -6.079 2.264 29 HD2 HIS 17 HD2 HIS 17 -7.714 -5.216 -1.748 30 HE1 HIS 17 HE1 HIS 17 -8.971 -4.291 2.169 31 H ALA 18 H ALA 18 -2.946 -7.384 -1.528 32 HA ALA 18 HA ALA 18 -2.443 -9.668 0.043 33 HB1 ALA 18 HB1 ALA 18 -2.557 -9.910 -2.227 34 HB2 ALA 18 HB2 ALA 18 -0.853 -10.213 -1.813 35 HB3 ALA 18 HB3 ALA 18 -1.366 -8.670 -2.574 36 H ALA 19 H ALA 19 -1.295 -6.481 -0.034 37 HA ALA 19 HA ALA 19 1.282 -6.628 0.895 38 HB1 ALA 19 HB1 ALA 19 0.114 -4.530 0.383 39 HB2 ALA 19 HB2 ALA 19 0.905 -4.476 1.958 40 HB3 ALA 19 HB3 ALA 19 -0.840 -4.712 1.855 41 H ASP 20 H ASP 20 -1.694 -7.302 2.746 42 HA ASP 20 HA ASP 20 -0.571 -7.432 5.329 43 HB2 ASP 20 HB2 ASP 20 -2.851 -9.030 4.127 44 HB3 ASP 20 HB3 ASP 20 -2.356 -9.238 5.794 45 H TYR 21 H TYR 21 -0.497 -9.593 2.652 46 HA TYR 21 HA TYR 21 0.384 -11.969 3.958 47 HB2 TYR 21 HB2 TYR 21 0.176 -12.861 1.898 48 HB3 TYR 21 HB3 TYR 21 -0.119 -11.255 1.286 49 HD1 TYR 21 HD2 TYR 21 1.754 -9.974 0.198 50 HD2 TYR 21 HD1 TYR 21 2.299 -14.020 1.440 51 HE1 TYR 21 HE2 TYR 21 3.668 -10.190 -1.309 52 HE2 TYR 21 HE1 TYR 21 4.160 -14.250 -0.032 53 HH TYR 21 HH TYR 21 5.159 -13.272 -1.917 54 H GLN 22 H GLN 22 2.088 -9.149 3.061 55 HA GLN 22 HA GLN 22 4.725 -10.140 3.142 56 HB2 GLN 22 HB2 GLN 22 4.128 -7.905 2.289 57 HB3 GLN 22 HB3 GLN 22 3.694 -7.407 3.918 58 HG2 GLN 22 HG2 GLN 22 5.810 -6.549 3.496 59 HG3 GLN 22 HG3 GLN 22 6.007 -7.942 4.590 60 HE21 GLN 22 HE21 GLN 22 6.564 -6.679 1.443 61 HE22 GLN 22 HE22 GLN 22 7.658 -7.896 0.888 62 H GLN 23 H GLN 23 2.709 -8.591 5.628 63 HA GLN 23 HA GLN 23 4.552 -8.918 7.717 64 HB2 GLN 23 HB2 GLN 23 1.660 -8.225 7.599 65 HB3 GLN 23 HB3 GLN 23 2.326 -8.710 9.148 66 HG2 GLN 23 HG2 GLN 23 3.333 -6.439 7.447 67 HG3 GLN 23 HG3 GLN 23 2.300 -6.300 8.877 68 HE21 GLN 23 HE21 GLN 23 5.541 -6.957 7.737 69 HE22 GLN 23 HE22 GLN 23 6.301 -6.946 9.249 70 H LEU 24 H LEU 24 1.908 -10.838 6.542 71 HA LEU 24 HA LEU 24 1.770 -12.855 8.498 72 HB2 LEU 24 HB2 LEU 24 0.162 -12.668 6.701 73 HB3 LEU 24 HB3 LEU 24 1.420 -12.993 5.523 74 HG LEU 24 HG LEU 24 1.715 -15.232 6.533 75 HD11 LEU 24 HD11 LEU 24 0.827 -14.813 8.725 76 HD12 LEU 24 HD12 LEU 24 -0.040 -16.125 7.932 77 HD13 LEU 24 HD13 LEU 24 -0.777 -14.524 8.044 78 HD21 LEU 24 HD21 LEU 24 0.377 -14.858 4.528 79 HD22 LEU 24 HD22 LEU 24 -1.057 -14.678 5.562 80 HD23 LEU 24 HD23 LEU 24 -0.137 -16.201 5.534 81 H ARG 25 H ARG 25 3.652 -12.805 5.504 82 HA ARG 25 HA ARG 25 4.956 -15.195 5.859 83 HB2 ARG 25 HB2 ARG 25 4.705 -13.910 3.793 84 HB3 ARG 25 HB3 ARG 25 5.806 -12.702 4.423 85 HG2 ARG 25 HG2 ARG 25 7.597 -14.172 4.378 86 HG3 ARG 25 HG3 ARG 25 6.553 -15.562 4.049 87 HD2 ARG 25 HD2 ARG 25 7.561 -14.891 1.944 88 HD3 ARG 25 HD3 ARG 25 5.847 -14.432 1.956 89 HE ARG 25 HE ARG 25 7.227 -12.261 2.908 90 HH11 ARG 25 HH11 ARG 25 7.179 -14.155 -0.081 91 HH12 ARG 25 HH12 ARG 25 7.336 -12.848 -1.102 92 HH21 ARG 25 HH21 ARG 25 7.578 -10.419 1.503 93 HH22 ARG 25 HH22 ARG 25 7.643 -10.676 -0.205 94 H GLU 26 H GLU 26 5.857 -11.907 6.742 95 HA GLU 26 HA GLU 26 8.435 -12.353 7.679 96 HB2 GLU 26 HB2 GLU 26 7.301 -10.172 7.199 97 HB3 GLU 26 HB3 GLU 26 6.400 -10.370 8.688 98 HG2 GLU 26 HG2 GLU 26 8.556 -10.375 9.917 99 HG3 GLU 26 HG3 GLU 26 9.369 -10.004 8.394 100 H ARG 27 H ARG 27 5.262 -12.593 9.345 101 HA ARG 27 HA ARG 27 6.354 -13.059 11.933 102 HB2 ARG 27 HB2 ARG 27 3.964 -12.296 10.955 103 HB3 ARG 27 HB3 ARG 27 3.670 -13.993 11.321 104 HG2 ARG 27 HG2 ARG 27 3.121 -12.956 13.275 105 HG3 ARG 27 HG3 ARG 27 4.772 -13.486 13.564 106 HD2 ARG 27 HD2 ARG 27 3.977 -10.689 12.716 107 HD3 ARG 27 HD3 ARG 27 4.350 -11.165 14.366 108 HE ARG 27 HE ARG 27 6.623 -11.707 13.497 109 HH11 ARG 27 HH11 ARG 27 4.656 -9.208 11.760 110 HH12 ARG 27 HH12 ARG 27 6.077 -8.479 11.162 111 HH21 ARG 27 HH21 ARG 27 8.428 -10.537 12.607 112 HH22 ARG 27 HH22 ARG 27 8.072 -9.173 11.580 113 H LEU 28 H LEU 28 5.241 -15.019 9.257 114 HA LEU 28 HA LEU 28 5.095 -17.492 10.633 115 HB2 LEU 28 HB2 LEU 28 5.418 -16.827 7.714 116 HB3 LEU 28 HB3 LEU 28 5.271 -18.467 8.305 117 HG LEU 28 HG LEU 28 3.154 -16.367 8.748 118 HD11 LEU 28 HD11 LEU 28 3.405 -18.458 6.595 119 HD12 LEU 28 HD12 LEU 28 3.396 -16.698 6.387 120 HD13 LEU 28 HD13 LEU 28 1.949 -17.527 6.946 121 HD21 LEU 28 HD21 LEU 28 3.162 -19.366 8.956 122 HD22 LEU 28 HD22 LEU 28 1.761 -18.314 9.137 123 HD23 LEU 28 HD23 LEU 28 3.082 -18.221 10.304 124 H ILE 29 H ILE 29 7.528 -16.045 8.563 125 HA ILE 29 HA ILE 29 9.515 -17.969 8.590 126 HB ILE 29 HB ILE 29 9.568 -14.955 8.557 127 HG12 ILE 29 HG12 ILE 29 10.175 -16.992 6.405 128 HG13 ILE 29 HG11 ILE 29 8.651 -16.134 6.599 129 HG21 ILE 29 HG21 ILE 29 11.609 -15.588 9.574 130 HG22 ILE 29 HG22 ILE 29 11.899 -14.986 7.924 131 HG23 ILE 29 HG23 ILE 29 11.968 -16.725 8.257 132 HD11 ILE 29 HD11 ILE 29 10.002 -15.163 4.830 133 HD12 ILE 29 HD12 ILE 29 11.319 -14.884 5.972 134 HD13 ILE 29 HD13 ILE 29 9.793 -14.019 6.156 135 H GLN 30 H GLN 30 8.860 -15.472 10.971 136 HA GLN 30 HA GLN 30 11.033 -16.227 12.643 137 HB2 GLN 30 HB2 GLN 30 8.680 -14.430 13.083 138 HB3 GLN 30 HB3 GLN 30 10.010 -14.614 14.241 139 HG2 GLN 30 HG2 GLN 30 11.554 -13.766 12.546 140 HG3 GLN 30 HG3 GLN 30 10.217 -13.610 11.409 141 HE21 GLN 30 HE21 GLN 30 12.001 -11.595 12.412 142 HE22 GLN 30 HE22 GLN 30 11.029 -10.386 13.176 143 H GLU 31 H GLU 31 7.513 -16.853 12.753 144 HA GLU 31 HA GLU 31 7.562 -18.067 15.326 145 HB2 GLU 31 HB2 GLU 31 5.495 -17.122 14.167 146 HB3 GLU 31 HB3 GLU 31 5.517 -18.556 13.168 147 HG2 GLU 31 HG2 GLU 31 5.341 -19.973 15.171 148 HG3 GLU 31 HG3 GLU 31 5.210 -18.523 16.158 149 H LEU 32 H LEU 32 7.832 -19.336 12.058 150 HA LEU 32 HA LEU 32 7.799 -22.080 12.892 151 HB2 LEU 32 HB2 LEU 32 8.326 -20.702 10.283 152 HB3 LEU 32 HB3 LEU 32 8.678 -22.397 10.477 153 HG LEU 32 HG LEU 32 6.282 -22.832 10.921 154 HD11 LEU 32 HD11 LEU 32 4.599 -21.133 10.383 155 HD12 LEU 32 HD12 LEU 32 5.875 -19.924 10.284 156 HD13 LEU 32 HD13 LEU 32 5.535 -20.721 11.823 157 HD21 LEU 32 HD21 LEU 32 5.519 -22.369 8.594 158 HD22 LEU 32 HD22 LEU 32 7.104 -23.141 8.748 159 HD23 LEU 32 HD23 LEU 32 7.009 -21.425 8.390 160 H ASN 33 H ASN 33 10.059 -19.722 13.257 161 HA ASN 33 HA ASN 33 12.301 -19.589 13.633 162 HB2 ASN 33 HB2 ASN 33 11.649 -21.540 15.204 163 HB3 ASN 33 HB3 ASN 33 12.239 -22.621 13.952 164 HD21 ASN 33 HD21 ASN 33 14.470 -22.703 13.576 165 HD22 ASN 33 HD22 ASN 33 15.627 -22.110 14.732 166 H LEU 34 H LEU 34 11.470 -19.631 11.072 167 HA LEU 34 HA LEU 34 13.454 -21.235 9.665 168 HB2 LEU 34 HB2 LEU 34 10.639 -20.522 8.919 169 HB3 LEU 34 HB3 LEU 34 11.799 -20.870 7.662 170 HG LEU 34 HG LEU 34 10.839 -22.700 9.868 171 HD11 LEU 34 HD11 LEU 34 9.924 -24.010 8.030 172 HD12 LEU 34 HD12 LEU 34 10.507 -22.808 6.879 173 HD13 LEU 34 HD13 LEU 34 9.260 -22.376 8.048 174 HD21 LEU 34 HD21 LEU 34 12.915 -23.198 7.732 175 HD22 LEU 34 HD22 LEU 34 12.198 -24.444 8.747 176 HD23 LEU 34 HD23 LEU 34 13.187 -23.184 9.476 177 H THR 35 H THR 35 13.772 -20.243 7.398 178 HA THR 35 HA THR 35 14.195 -17.374 7.673 179 HB THR 35 HB THR 35 16.259 -17.789 6.245 180 HG1 THR 35 HG1 THR 35 16.497 -20.389 7.018 181 HG21 THR 35 HG21 THR 35 16.217 -19.206 8.911 182 HG22 THR 35 HG22 THR 35 16.472 -17.474 8.683 183 HG23 THR 35 HG23 THR 35 17.665 -18.633 8.085 184 HA PRO 36 HA PRO 36 11.898 -17.150 3.915 185 HB2 PRO 36 HB2 PRO 36 13.498 -15.477 2.327 186 HB3 PRO 36 HB3 PRO 36 12.285 -14.935 3.503 187 HG2 PRO 36 HG2 PRO 36 15.218 -15.114 3.796 188 HG3 PRO 36 HG3 PRO 36 14.075 -13.951 4.494 189 HD2 PRO 36 HD2 PRO 36 15.167 -15.930 5.953 190 HD3 PRO 36 HD3 PRO 36 13.529 -15.322 6.251 191 H GLN 37 H GLN 37 15.210 -18.196 3.768 192 HA GLN 37 HA GLN 37 15.046 -19.166 1.030 193 HB2 GLN 37 HB2 GLN 37 17.184 -19.966 3.018 194 HB3 GLN 37 HB3 GLN 37 17.277 -20.010 1.270 195 HG2 GLN 37 HG2 GLN 37 18.562 -18.179 1.693 196 HG3 GLN 37 HG3 GLN 37 16.988 -17.398 1.542 197 HE21 GLN 37 HE21 GLN 37 19.500 -18.360 3.704 198 HE22 GLN 37 HE22 GLN 37 18.945 -17.454 5.068 199 H GLN 38 H GLN 38 13.857 -20.180 3.869 200 HA GLN 38 HA GLN 38 13.797 -22.999 3.014 201 HB2 GLN 38 HB2 GLN 38 13.476 -21.809 5.778 202 HB3 GLN 38 HB3 GLN 38 13.221 -23.506 5.392 203 HG2 GLN 38 HG2 GLN 38 15.812 -22.036 4.992 204 HG3 GLN 38 HG3 GLN 38 15.415 -23.014 6.406 205 HE21 GLN 38 HE21 GLN 38 16.066 -23.116 2.936 206 HE22 GLN 38 HE22 GLN 38 16.416 -24.806 2.916 207 H LEU 39 H LEU 39 11.996 -20.370 4.518 208 HA LEU 39 HA LEU 39 9.528 -21.687 3.830 209 HB2 LEU 39 HB2 LEU 39 10.031 -20.417 6.060 210 HB3 LEU 39 HB3 LEU 39 9.780 -18.971 5.113 211 HG LEU 39 HG LEU 39 7.724 -21.139 5.583 212 HD11 LEU 39 HD11 LEU 39 7.987 -18.407 6.797 213 HD12 LEU 39 HD12 LEU 39 8.305 -19.937 7.608 214 HD13 LEU 39 HD13 LEU 39 6.670 -19.549 7.065 215 HD21 LEU 39 HD21 LEU 39 7.454 -18.399 4.386 216 HD22 LEU 39 HD22 LEU 39 6.128 -19.536 4.690 217 HD23 LEU 39 HD23 LEU 39 7.383 -19.922 3.500 218 H HIS 40 H HIS 40 10.094 -21.577 1.670 219 HA HIS 40 HA HIS 40 10.021 -19.144 0.177 220 HB2 HIS 40 HB2 HIS 40 11.152 -21.082 -0.762 221 HB3 HIS 40 HB3 HIS 40 9.735 -22.084 -0.532 222 HD1 HIS 40 HD1 HIS 40 8.387 -22.446 -2.592 223 HD2 HIS 40 HD2 HIS 40 10.674 -18.988 -2.820 224 HE1 HIS 40 HE1 HIS 40 8.020 -21.506 -4.917 225 H GLU 41 H GLU 41 8.226 -18.556 -1.199 226 HA GLU 41 HA GLU 41 5.811 -18.076 -0.178 227 HB2 GLU 41 HB2 GLU 41 6.257 -18.853 -3.058 228 HB3 GLU 41 HB3 GLU 41 4.955 -17.863 -2.419 229 HG2 GLU 41 HG2 GLU 41 7.873 -17.130 -2.371 230 HG3 GLU 41 HG3 GLU 41 6.693 -16.549 -3.540 231 H GLU 42 H GLU 42 6.386 -20.837 -2.335 232 HA GLU 42 HA GLU 42 3.852 -21.905 -1.445 233 HB2 GLU 42 HB2 GLU 42 5.496 -22.628 -3.854 234 HB3 GLU 42 HB3 GLU 42 4.019 -23.469 -3.394 235 HG2 GLU 42 HG2 GLU 42 4.284 -20.560 -4.142 236 HG3 GLU 42 HG3 GLU 42 3.492 -21.831 -5.075 237 H SER 43 H SER 43 6.311 -22.145 0.189 238 HA SER 43 HA SER 43 6.573 -25.009 0.330 239 HB2 SER 43 HB2 SER 43 7.502 -22.801 2.209 240 HB3 SER 43 HB3 SER 43 7.884 -24.512 2.407 241 HG SER 43 HG SER 43 9.579 -23.822 1.328 242 H ASN 44 H ASN 44 4.991 -26.166 1.139 243 HA ASN 44 HA ASN 44 2.588 -25.283 2.239 244 HB2 ASN 44 HB2 ASN 44 3.372 -27.844 1.572 245 HB3 ASN 44 HB3 ASN 44 3.789 -27.770 3.220 246 HD21 ASN 44 HD21 ASN 44 0.975 -27.606 1.164 247 HD22 ASN 44 HD22 ASN 44 -0.130 -27.989 2.429 248 H LEU 45 H LEU 45 2.242 -24.256 4.116 249 HA LEU 45 HA LEU 45 4.297 -23.905 6.018 250 HB2 LEU 45 HB2 LEU 45 1.368 -23.357 6.380 251 HB3 LEU 45 HB3 LEU 45 2.668 -22.715 7.362 252 HG LEU 45 HG LEU 45 2.143 -22.142 4.476 253 HD11 LEU 45 HD11 LEU 45 1.707 -19.852 5.289 254 HD12 LEU 45 HD12 LEU 45 1.992 -20.419 6.936 255 HD13 LEU 45 HD13 LEU 45 0.604 -21.027 6.025 256 HD21 LEU 45 HD21 LEU 45 4.539 -22.152 4.874 257 HD22 LEU 45 HD22 LEU 45 4.339 -21.104 6.273 258 HD23 LEU 45 HD23 LEU 45 3.981 -20.493 4.653 259 H ILE 46 H ILE 46 1.668 -26.121 5.897 260 HA ILE 46 HA ILE 46 1.883 -26.957 8.627 261 HB ILE 46 HB ILE 46 0.562 -28.411 6.298 262 HG12 ILE 46 HG12 ILE 46 -0.596 -26.489 8.337 263 HG13 ILE 46 HG11 ILE 46 -0.334 -26.157 6.630 264 HG21 ILE 46 HG21 ILE 46 0.172 -28.747 9.283 265 HG22 ILE 46 HG22 ILE 46 0.973 -29.896 8.214 266 HG23 ILE 46 HG23 ILE 46 -0.751 -29.574 8.028 267 HD11 ILE 46 HD11 ILE 46 -1.995 -27.859 6.050 268 HD12 ILE 46 HD12 ILE 46 -2.677 -26.618 7.101 269 HD13 ILE 46 HD13 ILE 46 -2.246 -28.195 7.763 270 H GLN 47 H GLN 47 3.487 -27.733 5.721 271 HA GLN 47 HA GLN 47 4.743 -30.138 6.798 272 HB2 GLN 47 HB2 GLN 47 4.951 -28.755 4.140 273 HB3 GLN 47 HB3 GLN 47 5.802 -30.201 4.426 274 HG2 GLN 47 HG2 GLN 47 2.805 -29.920 4.485 275 HG3 GLN 47 HG3 GLN 47 3.765 -30.668 3.211 276 HE21 GLN 47 HE21 GLN 47 2.565 -31.013 6.473 277 HE22 GLN 47 HE22 GLN 47 2.895 -32.707 6.591 278 H ALA 48 H ALA 48 5.185 -26.859 6.798 279 HA ALA 48 HA ALA 48 8.098 -26.968 6.903 280 HB1 ALA 48 HB1 ALA 48 8.018 -24.523 6.854 281 HB2 ALA 48 HB2 ALA 48 6.258 -24.568 6.951 282 HB3 ALA 48 HB3 ALA 48 7.076 -25.205 5.528 283 H GLY 49 H GLY 49 5.373 -25.773 8.891 284 HA2 GLY 49 HA2 GLY 49 6.111 -26.850 11.278 285 HA3 GLY 49 HA3 GLY 49 7.131 -25.426 11.156 286 H LEU 50 H LEU 50 3.752 -25.901 10.178 287 HA LEU 50 HA LEU 50 2.718 -24.080 12.288 288 HB2 LEU 50 HB2 LEU 50 3.185 -22.870 10.044 289 HB3 LEU 50 HB3 LEU 50 2.000 -23.957 9.354 290 HG LEU 50 HG LEU 50 0.360 -23.049 11.062 291 HD11 LEU 50 HD11 LEU 50 0.857 -20.840 11.965 292 HD12 LEU 50 HD12 LEU 50 2.506 -20.968 11.358 293 HD13 LEU 50 HD13 LEU 50 1.936 -22.077 12.607 294 HD21 LEU 50 HD21 LEU 50 1.492 -21.152 9.027 295 HD22 LEU 50 HD22 LEU 50 -0.099 -21.047 9.779 296 HD23 LEU 50 HD23 LEU 50 0.287 -22.409 8.719 297 H ASP 51 H ASP 51 1.028 -24.953 13.172 298 HA ASP 51 HA ASP 51 0.008 -27.376 11.961 299 HB2 ASP 51 HB2 ASP 51 -0.984 -27.698 14.255 300 HB3 ASP 51 HB3 ASP 51 0.775 -27.712 14.202 301 HA 4HH 52 HA 4HH 52 -4.251 -26.401 11.077 302 H 4HH 52 H 4HH 52 -2.201 -27.711 12.003 303 HB3 4HH 52 HB3 4HH 52 -4.447 -28.558 12.117 304 HB2 4HH 52 HB2 4HH 52 -4.462 -27.801 13.719 305 HJ3 4HH 52 HJ3 4HH 52 -8.908 -27.609 14.261 306 HJ2 4HH 52 HJ2 4HH 52 -9.795 -28.982 13.614 307 HL13 4HH 52 HL13 4HH 52 -11.169 -26.457 10.955 308 HL12 4HH 52 HL12 4HH 52 -9.641 -27.231 10.734 309 HL11 4HH 52 HL11 4HH 52 -11.146 -28.187 11.119 310 HL21 4HH 52 HL21 4HH 52 -9.857 -25.281 13.927 311 HL23 4HH 52 HL23 4HH 52 -8.883 -25.460 12.401 312 HL22 4HH 52 HL22 4HH 52 -10.551 -24.980 12.388 313 HL3 4HH 52 HL3 4HH 52 -12.131 -28.136 13.576 314 HM 4HH 52 HM 4HH 52 -11.285 -25.753 14.859 315 HN 4HH 52 HN 4HH 52 -12.536 -24.334 13.250 316 HO2 4HH 52 HO2 4HH 52 -13.649 -24.425 15.345 317 HO3 4HH 52 HO3 4HH 52 -14.351 -25.914 14.933 318 HP3 4HH 52 HP3 4HH 52 -15.821 -24.716 13.278 319 HP2 4HH 52 HP2 4HH 52 -16.090 -24.121 14.904 320 HS2 4HH 52 HS2 4HH 52 -12.088 -22.563 12.933 321 HS3 4HH 52 HS3 4HH 52 -12.728 -22.070 14.429 322 HT3 4HH 52 HT3 4HH 52 -11.493 -20.334 12.843 323 HT2 4HH 52 HT2 4HH 52 -13.026 -19.828 13.570 324 HR 4HH 52 HR 4HH 52 -14.164 -22.588 11.880 325 HU 4HH 52 HU 4HH 52 -14.587 -20.477 11.400 326 H ILE 53 H ILE 53 -3.974 -26.287 14.528 327 HA ILE 53 HA ILE 53 -5.679 -24.228 15.136 328 HB ILE 53 HB ILE 53 -3.192 -25.065 16.603 329 HG12 ILE 53 HG12 ILE 53 -4.727 -26.929 16.288 330 HG13 ILE 53 HG11 ILE 53 -4.741 -26.425 17.972 331 HG21 ILE 53 HG21 ILE 53 -3.948 -22.872 17.394 332 HG22 ILE 53 HG22 ILE 53 -4.266 -24.090 18.629 333 HG23 ILE 53 HG23 ILE 53 -5.582 -23.491 17.617 334 HD11 ILE 53 HD11 ILE 53 -6.857 -25.242 17.592 335 HD12 ILE 53 HD12 ILE 53 -6.977 -26.959 17.221 336 HD13 ILE 53 HD13 ILE 53 -6.853 -25.789 15.913 337 H ARG 54 H ARG 54 -2.093 -23.993 14.667 338 HA ARG 54 HA ARG 54 -2.065 -21.247 15.139 339 HB2 ARG 54 HB2 ARG 54 -0.147 -23.147 13.994 340 HB3 ARG 54 HB3 ARG 54 0.137 -21.405 13.907 341 HG2 ARG 54 HG2 ARG 54 -0.328 -21.348 16.356 342 HG3 ARG 54 HG3 ARG 54 -0.219 -23.116 16.306 343 HD2 ARG 54 HD2 ARG 54 1.765 -21.346 15.126 344 HD3 ARG 54 HD3 ARG 54 1.900 -21.821 16.844 345 HE ARG 54 HE ARG 54 1.680 -24.159 15.694 346 HH11 ARG 54 HH11 ARG 54 3.541 -21.415 14.368 347 HH12 ARG 54 HH12 ARG 54 4.768 -22.416 13.749 348 HH21 ARG 54 HH21 ARG 54 3.265 -25.444 14.865 349 HH22 ARG 54 HH22 ARG 54 4.608 -24.779 13.985 350 H LEU 55 H LEU 55 -2.585 -23.044 12.234 351 HA LEU 55 HA LEU 55 -2.486 -20.754 10.478 352 HB2 LEU 55 HB2 LEU 55 -2.186 -23.211 9.785 353 HB3 LEU 55 HB3 LEU 55 -3.876 -23.371 10.104 354 HG LEU 55 HG LEU 55 -3.077 -21.275 8.156 355 HD11 LEU 55 HD11 LEU 55 -1.842 -23.082 7.465 356 HD12 LEU 55 HD12 LEU 55 -3.306 -22.986 6.427 357 HD13 LEU 55 HD13 LEU 55 -3.190 -24.206 7.725 358 HD21 LEU 55 HD21 LEU 55 -5.425 -23.165 8.311 359 HD22 LEU 55 HD22 LEU 55 -5.188 -21.887 7.111 360 HD23 LEU 55 HD23 LEU 55 -5.411 -21.472 8.814 361 H MET 56 H MET 56 -5.019 -22.543 12.121 362 HA MET 56 HA MET 56 -7.170 -21.092 11.066 363 HB2 MET 56 HB2 MET 56 -7.527 -23.094 12.395 364 HB3 MET 56 HB3 MET 56 -6.895 -22.264 13.815 365 HG2 MET 56 HG2 MET 56 -8.815 -20.538 13.264 366 HG3 MET 56 HG3 MET 56 -9.518 -21.915 12.424 367 HE1 MET 56 HE1 MET 56 -7.321 -22.406 15.630 368 HE2 MET 56 HE2 MET 56 -8.408 -21.685 16.836 369 HE3 MET 56 HE3 MET 56 -7.763 -20.709 15.477 370 H ARG 57 H ARG 57 -5.005 -20.399 13.708 371 HA ARG 57 HA ARG 57 -6.194 -18.235 14.834 372 HB2 ARG 57 HB2 ARG 57 -3.380 -18.539 14.117 373 HB3 ARG 57 HB3 ARG 57 -3.965 -17.270 15.164 374 HG2 ARG 57 HG2 ARG 57 -4.713 -19.004 16.746 375 HG3 ARG 57 HG3 ARG 57 -3.959 -20.224 15.691 376 HD2 ARG 57 HD2 ARG 57 -2.774 -17.837 16.829 377 HD3 ARG 57 HD3 ARG 57 -2.379 -19.497 17.401 378 HE ARG 57 HE ARG 57 -1.952 -19.265 14.605 379 HH11 ARG 57 HH11 ARG 57 -0.135 -18.161 17.512 380 HH12 ARG 57 HH12 ARG 57 1.304 -18.084 16.552 381 HH21 ARG 57 HH21 ARG 57 0.046 -19.063 13.524 382 HH22 ARG 57 HH22 ARG 57 1.419 -18.628 14.452 383 H TRP 58 H TRP 58 -4.330 -18.622 11.738 384 HA TRP 58 HA TRP 58 -3.861 -15.892 11.319 385 HB2 TRP 58 HB2 TRP 58 -3.562 -18.345 9.641 386 HB3 TRP 58 HB3 TRP 58 -3.292 -16.780 8.915 387 HD1 TRP 58 HD1 TRP 58 -1.305 -19.396 10.030 388 HE1 TRP 58 HE1 TRP 58 0.943 -18.635 11.076 389 HE3 TRP 58 HE3 TRP 58 -2.429 -14.487 10.948 390 HZ2 TRP 58 HZ2 TRP 58 2.090 -16.237 12.118 391 HZ3 TRP 58 HZ3 TRP 58 -0.723 -13.053 11.959 392 HH2 TRP 58 HH2 TRP 58 1.478 -13.916 12.533 393 H LEU 59 H LEU 59 -6.454 -18.046 10.479 394 HA LEU 59 HA LEU 59 -7.687 -16.212 8.680 395 HB2 LEU 59 HB2 LEU 59 -8.365 -18.567 8.764 396 HB3 LEU 59 HB3 LEU 59 -9.025 -18.310 10.372 397 HG LEU 59 HG LEU 59 -10.631 -16.696 9.491 398 HD11 LEU 59 HD11 LEU 59 -9.390 -15.810 7.617 399 HD12 LEU 59 HD12 LEU 59 -10.927 -16.468 7.061 400 HD13 LEU 59 HD13 LEU 59 -9.435 -17.378 6.810 401 HD21 LEU 59 HD21 LEU 59 -10.535 -19.221 7.977 402 HD22 LEU 59 HD22 LEU 59 -11.987 -18.230 8.257 403 HD23 LEU 59 HD23 LEU 59 -11.164 -19.039 9.623 404 H HIS 60 H HIS 60 -7.584 -16.599 12.084 405 HA HIS 60 HA HIS 60 -9.666 -14.778 12.690 406 HB2 HIS 60 HB2 HIS 60 -7.398 -15.919 14.312 407 HB3 HIS 60 HB3 HIS 60 -8.503 -14.721 14.983 408 HD1 HIS 60 HD1 HIS 60 -8.260 -18.348 14.241 409 HD2 HIS 60 HD2 HIS 60 -11.063 -15.476 15.017 410 HE1 HIS 60 HE1 HIS 60 -10.319 -19.635 14.931 411 H TRP 61 H TRP 61 -6.432 -14.472 11.753 412 HA TRP 61 HA TRP 61 -6.216 -11.726 12.528 413 HB2 TRP 61 HB2 TRP 61 -4.211 -13.125 12.475 414 HB3 TRP 61 HB3 TRP 61 -4.497 -13.506 10.786 415 HD1 TRP 61 HD1 TRP 61 -3.742 -10.317 12.903 416 HE1 TRP 61 HE1 TRP 61 -2.143 -8.830 11.478 417 HE3 TRP 61 HE3 TRP 61 -3.502 -13.150 8.661 418 HZ2 TRP 61 HZ2 TRP 61 -0.971 -8.872 8.950 419 HZ3 TRP 61 HZ3 TRP 61 -2.116 -12.361 6.799 420 HH2 TRP 61 HH2 TRP 61 -0.879 -10.270 6.946 421 H PHE 62 H PHE 62 -6.480 -13.555 9.500 422 HA PHE 62 HA PHE 62 -6.803 -11.480 7.686 423 HB2 PHE 62 HB2 PHE 62 -7.880 -14.279 7.663 424 HB3 PHE 62 HB3 PHE 62 -8.155 -13.182 6.328 425 HD1 PHE 62 HD1 PHE 62 -5.720 -11.895 5.834 426 HD2 PHE 62 HD2 PHE 62 -6.360 -15.892 7.129 427 HE1 PHE 62 HE1 PHE 62 -3.595 -12.587 4.787 428 HE2 PHE 62 HE2 PHE 62 -4.247 -16.578 6.107 429 HZ PHE 62 HZ PHE 62 -2.868 -14.931 4.925 430 H ARG 63 H ARG 63 -9.401 -13.321 9.241 431 HA ARG 63 HA ARG 63 -11.584 -12.024 8.037 432 HB2 ARG 63 HB2 ARG 63 -11.565 -14.170 9.196 433 HB3 ARG 63 HB3 ARG 63 -11.458 -13.309 10.722 434 HG2 ARG 63 HG2 ARG 63 -13.583 -12.367 10.470 435 HG3 ARG 63 HG3 ARG 63 -13.669 -12.828 8.763 436 HD2 ARG 63 HD2 ARG 63 -14.958 -14.415 9.921 437 HD3 ARG 63 HD3 ARG 63 -13.370 -15.075 9.448 438 HE ARG 63 HE ARG 63 -13.446 -14.044 12.112 439 HH11 ARG 63 HH11 ARG 63 -13.861 -16.931 10.125 440 HH12 ARG 63 HH12 ARG 63 -13.641 -18.056 11.378 441 HH21 ARG 63 HH21 ARG 63 -13.149 -15.598 13.918 442 HH22 ARG 63 HH22 ARG 63 -13.205 -17.252 13.619 443 H LYS 64 H LYS 64 -9.671 -11.307 10.793 444 HA LYS 64 HA LYS 64 -11.397 -9.348 11.999 445 HB2 LYS 64 HB2 LYS 64 -9.809 -10.854 13.175 446 HB3 LYS 64 HB3 LYS 64 -8.516 -10.006 12.372 447 HG2 LYS 64 HG2 LYS 64 -9.156 -7.946 13.519 448 HG3 LYS 64 HG3 LYS 64 -10.405 -8.849 14.389 449 HD2 LYS 64 HD2 LYS 64 -8.369 -8.664 15.740 450 HD3 LYS 64 HD3 LYS 64 -8.734 -10.338 15.282 451 HE2 LYS 64 HE2 LYS 64 -6.285 -9.622 15.063 452 HE3 LYS 64 HE3 LYS 64 -7.020 -10.429 13.686 453 HZ1 LYS 64 HZ1 LYS 64 -5.666 -8.479 13.046 454 HZ2 LYS 64 HZ2 LYS 64 -6.715 -7.446 13.887 455 HZ3 LYS 64 HZ3 LYS 64 -7.247 -8.324 12.560 456 H ASN 65 H ASN 65 -9.005 -9.435 9.525 457 HA ASN 65 HA ASN 65 -8.625 -6.544 9.553 458 HB2 ASN 65 HB2 ASN 65 -7.258 -8.791 8.035 459 HB3 ASN 65 HB3 ASN 65 -7.036 -7.109 7.584 460 HD21 ASN 65 HD21 ASN 65 -4.760 -7.288 7.990 461 HD22 ASN 65 HD22 ASN 65 -4.154 -7.322 9.570 462 H GLY 66 H GLY 66 -10.933 -8.487 8.661 463 HA2 GLY 66 HA2 GLY 66 -12.797 -7.898 7.410 464 HA3 GLY 66 HA3 GLY 66 -11.827 -6.700 6.570 465 H TYR 67 H TYR 67 -10.552 -9.921 6.744 466 HA TYR 67 HA TYR 67 -10.946 -10.083 3.912 467 HB2 TYR 67 HB2 TYR 67 -9.251 -11.639 5.779 468 HB3 TYR 67 HB3 TYR 67 -9.567 -12.253 4.148 469 HD1 TYR 67 HD2 TYR 67 -8.150 -9.515 6.101 470 HD2 TYR 67 HD1 TYR 67 -8.628 -11.228 2.253 471 HE1 TYR 67 HE2 TYR 67 -6.543 -7.914 5.216 472 HE2 TYR 67 HE1 TYR 67 -7.071 -9.695 1.304 473 HH TYR 67 HH TYR 67 -5.126 -7.519 3.403 474 H ARG 68 H ARG 68 -12.108 -11.233 2.796 475 HA ARG 68 HA ARG 68 -14.175 -12.832 4.026 476 HB2 ARG 68 HB2 ARG 68 -13.640 -11.948 1.202 477 HB3 ARG 68 HB3 ARG 68 -15.047 -12.872 1.648 478 HG2 ARG 68 HG2 ARG 68 -16.108 -11.021 2.057 479 HG3 ARG 68 HG3 ARG 68 -14.987 -10.662 3.358 480 HD2 ARG 68 HD2 ARG 68 -14.273 -10.075 0.531 481 HD3 ARG 68 HD3 ARG 68 -15.230 -8.911 1.450 482 HE ARG 68 HE ARG 68 -13.268 -9.027 3.095 483 HH11 ARG 68 HH11 ARG 68 -12.704 -9.405 -0.445 484 HH12 ARG 68 HH12 ARG 68 -11.196 -8.650 -0.358 485 HH21 ARG 68 HH21 ARG 68 -11.216 -7.980 3.081 486 HH22 ARG 68 HH22 ARG 68 -10.329 -7.808 1.621 487 H LEU 69 H LEU 69 -12.166 -14.101 4.565 488 HA LEU 69 HA LEU 69 -11.530 -16.113 2.501 489 HB2 LEU 69 HB2 LEU 69 -9.914 -15.096 4.827 490 HB3 LEU 69 HB3 LEU 69 -9.556 -16.634 4.076 491 HG LEU 69 HG LEU 69 -9.558 -14.030 2.535 492 HD11 LEU 69 HD11 LEU 69 -7.867 -13.957 4.319 493 HD12 LEU 69 HD12 LEU 69 -7.125 -14.123 2.728 494 HD13 LEU 69 HD13 LEU 69 -7.255 -15.523 3.792 495 HD21 LEU 69 HD21 LEU 69 -8.269 -15.318 0.945 496 HD22 LEU 69 HD22 LEU 69 -9.826 -16.096 1.235 497 HD23 LEU 69 HD23 LEU 69 -8.364 -16.736 1.983 498 H THR 70 H THR 70 -11.494 -18.339 3.142 499 HA THR 70 HA THR 70 -13.034 -18.778 5.564 500 HB THR 70 HB THR 70 -12.948 -20.799 3.392 501 HG1 THR 70 HG1 THR 70 -13.816 -19.684 2.023 502 HG21 THR 70 HG21 THR 70 -14.238 -21.167 5.449 503 HG22 THR 70 HG22 THR 70 -15.294 -21.095 4.039 504 HG23 THR 70 HG23 THR 70 -15.178 -19.709 5.124 505 H LEU 71 H LEU 71 -12.486 -20.825 6.581 506 HA LEU 71 HA LEU 71 -9.677 -20.929 7.020 507 HB2 LEU 71 HB2 LEU 71 -11.307 -21.126 8.807 508 HB3 LEU 71 HB3 LEU 71 -11.894 -22.621 8.120 509 HG LEU 71 HG LEU 71 -9.716 -23.662 8.577 510 HD11 LEU 71 HD11 LEU 71 -9.072 -21.063 9.962 511 HD12 LEU 71 HD12 LEU 71 -8.278 -21.704 8.512 512 HD13 LEU 71 HD13 LEU 71 -8.143 -22.556 10.051 513 HD21 LEU 71 HD21 LEU 71 -9.947 -23.724 11.003 514 HD22 LEU 71 HD22 LEU 71 -11.486 -23.931 10.168 515 HD23 LEU 71 HD23 LEU 71 -11.090 -22.382 10.927 516 H ARG 72 H ARG 72 -11.888 -23.024 5.277 517 HA ARG 72 HA ARG 72 -9.965 -25.111 5.545 518 HB2 ARG 72 HB2 ARG 72 -12.705 -25.192 4.384 519 HB3 ARG 72 HB3 ARG 72 -11.619 -26.586 4.421 520 HG2 ARG 72 HG2 ARG 72 -11.408 -26.367 6.867 521 HG3 ARG 72 HG3 ARG 72 -12.511 -25.005 6.839 522 HD2 ARG 72 HD2 ARG 72 -14.300 -26.502 6.065 523 HD3 ARG 72 HD3 ARG 72 -13.169 -27.863 6.119 524 HE ARG 72 HE ARG 72 -13.147 -26.533 8.590 525 HH11 ARG 72 HH11 ARG 72 -15.264 -28.686 6.759 526 HH12 ARG 72 HH12 ARG 72 -16.036 -29.344 8.124 527 HH21 ARG 72 HH21 ARG 72 -14.189 -27.410 10.503 528 HH22 ARG 72 HH22 ARG 72 -15.388 -28.588 10.332 529 H GLU 73 H GLU 73 -10.865 -22.918 3.028 530 HA GLU 73 HA GLU 73 -9.483 -24.273 1.058 531 HB2 GLU 73 HB2 GLU 73 -9.725 -21.272 1.406 532 HB3 GLU 73 HB3 GLU 73 -9.141 -22.059 -0.052 533 HG2 GLU 73 HG2 GLU 73 -11.281 -21.606 -0.613 534 HG3 GLU 73 HG3 GLU 73 -11.497 -23.224 0.065 535 H LEU 74 H LEU 74 -8.458 -22.173 3.658 536 HA LEU 74 HA LEU 74 -5.824 -21.830 2.770 537 HB2 LEU 74 HB2 LEU 74 -6.735 -21.785 5.646 538 HB3 LEU 74 HB3 LEU 74 -5.232 -21.142 5.038 539 HG LEU 74 HG LEU 74 -7.992 -20.061 4.802 540 HD11 LEU 74 HD11 LEU 74 -6.640 -19.453 6.746 541 HD12 LEU 74 HD12 LEU 74 -6.937 -18.060 5.684 542 HD13 LEU 74 HD13 LEU 74 -5.382 -18.892 5.629 543 HD21 LEU 74 HD21 LEU 74 -7.149 -18.314 3.361 544 HD22 LEU 74 HD22 LEU 74 -7.106 -19.907 2.575 545 HD23 LEU 74 HD23 LEU 74 -5.610 -19.184 3.215 546 H TYR 75 H TYR 75 -7.471 -24.254 4.681 547 HA TYR 75 HA TYR 75 -5.111 -25.641 5.483 548 HB2 TYR 75 HB2 TYR 75 -8.025 -26.400 5.579 549 HB3 TYR 75 HB3 TYR 75 -6.781 -27.601 5.918 550 HD1 TYR 75 HD1 TYR 75 -4.885 -25.950 7.368 551 HD2 TYR 75 HD2 TYR 75 -9.091 -26.126 7.509 552 HE1 TYR 75 HE1 TYR 75 -4.815 -25.212 9.713 553 HE2 TYR 75 HE2 TYR 75 -9.062 -25.393 9.854 554 HH TYR 75 HH TYR 75 -7.293 -25.575 11.760 555 H ALA 76 H ALA 76 -7.218 -25.817 2.750 556 HA ALA 76 HA ALA 76 -6.193 -28.270 1.913 557 HB1 ALA 76 HB1 ALA 76 -7.359 -27.848 -0.227 558 HB2 ALA 76 HB2 ALA 76 -7.648 -26.184 0.280 559 HB3 ALA 76 HB3 ALA 76 -8.390 -27.516 1.166 560 H ALA 77 H ALA 77 -5.460 -24.905 1.186 561 HA ALA 77 HA ALA 77 -2.914 -25.787 0.077 562 HB1 ALA 77 HB1 ALA 77 -4.602 -23.566 -1.089 563 HB2 ALA 77 HB2 ALA 77 -4.345 -25.151 -1.820 564 HB3 ALA 77 HB3 ALA 77 -2.989 -24.038 -1.628 565 HA PRO 78 HA PRO 78 -2.074 -22.543 3.122 566 HB2 PRO 78 HB2 PRO 78 -0.325 -24.113 4.613 567 HB3 PRO 78 HB3 PRO 78 -2.045 -23.890 4.980 568 HG2 PRO 78 HG2 PRO 78 -0.786 -26.287 4.166 569 HG3 PRO 78 HG3 PRO 78 -2.516 -25.998 4.412 570 HD2 PRO 78 HD2 PRO 78 -0.976 -26.068 1.891 571 HD3 PRO 78 HD3 PRO 78 -2.701 -26.379 2.182 572 H THR 79 H THR 79 -0.982 -21.631 1.298 573 HA THR 79 HA THR 79 1.879 -21.782 1.526 574 HB THR 79 HB THR 79 1.983 -21.714 -1.027 575 HG1 THR 79 HG1 THR 79 0.345 -22.097 -2.163 576 HG21 THR 79 HG21 THR 79 0.959 -24.250 0.227 577 HG22 THR 79 HG22 THR 79 2.648 -23.733 0.193 578 HG23 THR 79 HG23 THR 79 1.818 -24.159 -1.311 579 H LEU 80 H LEU 80 2.846 -19.820 0.704 580 HA LEU 80 HA LEU 80 1.138 -17.686 1.462 581 HB2 LEU 80 HB2 LEU 80 3.999 -18.109 1.339 582 HB3 LEU 80 HB3 LEU 80 3.498 -16.452 0.997 583 HG LEU 80 HG LEU 80 2.439 -17.883 3.416 584 HD11 LEU 80 HD11 LEU 80 5.021 -16.384 3.129 585 HD12 LEU 80 HD12 LEU 80 4.857 -18.088 3.605 586 HD13 LEU 80 HD13 LEU 80 4.260 -16.791 4.655 587 HD21 LEU 80 HD21 LEU 80 2.233 -15.681 4.253 588 HD22 LEU 80 HD22 LEU 80 1.468 -15.749 2.656 589 HD23 LEU 80 HD23 LEU 80 3.075 -15.027 2.863 590 H ALA 81 H ALA 81 2.415 -18.686 -1.661 591 HA ALA 81 HA ALA 81 1.803 -16.079 -2.730 592 HB1 ALA 81 HB1 ALA 81 2.507 -18.658 -4.156 593 HB2 ALA 81 HB2 ALA 81 3.617 -17.325 -3.804 594 HB3 ALA 81 HB3 ALA 81 2.293 -17.095 -4.937 595 H ALA 82 H ALA 82 0.378 -19.265 -2.514 596 HA ALA 82 HA ALA 82 -1.907 -18.651 -4.065 597 HB1 ALA 82 HB1 ALA 82 -3.003 -20.522 -3.014 598 HB2 ALA 82 HB2 ALA 82 -1.717 -20.640 -1.807 599 HB3 ALA 82 HB3 ALA 82 -1.371 -20.970 -3.516 600 H TRP 83 H TRP 83 -1.289 -18.420 -0.558 601 HA TRP 83 HA TRP 83 -3.809 -17.373 0.072 602 HB2 TRP 83 HB2 TRP 83 -1.151 -17.063 1.434 603 HB3 TRP 83 HB3 TRP 83 -2.600 -16.277 2.041 604 HD1 TRP 83 HD1 TRP 83 -3.504 -19.643 0.728 605 HE1 TRP 83 HE1 TRP 83 -3.719 -21.309 2.610 606 HE3 TRP 83 HE3 TRP 83 -1.445 -16.852 4.325 607 HZ2 TRP 83 HZ2 TRP 83 -3.149 -21.389 5.378 608 HZ3 TRP 83 HZ3 TRP 83 -1.291 -17.762 6.648 609 HH2 TRP 83 HH2 TRP 83 -2.112 -19.976 7.152 610 H ASN 84 H ASN 84 -0.798 -15.696 -0.669 611 HA ASN 84 HA ASN 84 -1.572 -13.069 -0.764 612 HB2 ASN 84 HB2 ASN 84 0.673 -13.531 -1.306 613 HB3 ASN 84 HB3 ASN 84 0.261 -14.680 -2.554 614 HD21 ASN 84 HD21 ASN 84 -0.225 -13.908 -4.615 615 HD22 ASN 84 HD22 ASN 84 0.124 -12.279 -5.085 616 H GLN 85 H GLN 85 -2.115 -15.475 -3.300 617 HA GLN 85 HA GLN 85 -3.568 -13.805 -5.054 618 HB2 GLN 85 HB2 GLN 85 -2.527 -15.953 -5.734 619 HB3 GLN 85 HB3 GLN 85 -3.682 -16.827 -4.749 620 HG2 GLN 85 HG2 GLN 85 -4.317 -16.897 -7.093 621 HG3 GLN 85 HG3 GLN 85 -5.511 -15.999 -6.156 622 HE21 GLN 85 HE21 GLN 85 -6.254 -14.878 -7.973 623 HE22 GLN 85 HE22 GLN 85 -5.301 -13.647 -8.722 624 H LEU 86 H LEU 86 -4.626 -16.155 -2.612 625 HA LEU 86 HA LEU 86 -7.398 -15.937 -2.885 626 HB2 LEU 86 HB2 LEU 86 -5.757 -16.569 -0.453 627 HB3 LEU 86 HB3 LEU 86 -7.491 -16.762 -0.546 628 HG LEU 86 HG LEU 86 -5.554 -18.257 -2.330 629 HD11 LEU 86 HD11 LEU 86 -5.288 -18.793 0.061 630 HD12 LEU 86 HD12 LEU 86 -5.922 -20.131 -0.905 631 HD13 LEU 86 HD13 LEU 86 -7.017 -19.174 0.115 632 HD21 LEU 86 HD21 LEU 86 -7.845 -18.059 -3.220 633 HD22 LEU 86 HD22 LEU 86 -8.445 -18.698 -1.670 634 HD23 LEU 86 HD23 LEU 86 -7.447 -19.708 -2.700 635 H MET 87 H MET 87 -5.177 -13.746 -1.436 636 HA MET 87 HA MET 87 -7.056 -12.544 0.421 637 HB2 MET 87 HB2 MET 87 -4.209 -12.011 -0.338 638 HB3 MET 87 HB3 MET 87 -5.060 -10.965 0.776 639 HG2 MET 87 HG2 MET 87 -5.336 -12.792 2.328 640 HG3 MET 87 HG3 MET 87 -4.691 -13.935 1.152 641 HE1 MET 87 HE1 MET 87 -3.928 -10.900 3.465 642 HE2 MET 87 HE2 MET 87 -3.378 -10.314 1.893 643 HE3 MET 87 HE3 MET 87 -2.208 -10.659 3.165 644 H LEU 88 H LEU 88 -5.257 -11.722 -2.449 645 HA LEU 88 HA LEU 88 -6.428 -9.192 -2.667 646 HB2 LEU 88 HB2 LEU 88 -4.291 -9.231 -3.388 647 HB3 LEU 88 HB3 LEU 88 -4.413 -10.852 -4.045 648 HG LEU 88 HG LEU 88 -5.731 -10.071 -5.716 649 HD11 LEU 88 HD11 LEU 88 -5.707 -7.510 -6.290 650 HD12 LEU 88 HD12 LEU 88 -4.976 -7.260 -4.704 651 HD13 LEU 88 HD13 LEU 88 -6.609 -7.914 -4.828 652 HD21 LEU 88 HD21 LEU 88 -3.933 -8.957 -7.069 653 HD22 LEU 88 HD22 LEU 88 -3.430 -10.401 -6.166 654 HD23 LEU 88 HD23 LEU 88 -3.040 -8.777 -5.565 655 H SER 89 H SER 89 -6.815 -12.345 -4.321 656 HA SER 89 HA SER 89 -8.423 -11.277 -6.357 657 HB2 SER 89 HB2 SER 89 -7.099 -13.327 -6.644 658 HB3 SER 89 HB3 SER 89 -8.127 -14.159 -5.484 659 HG SER 89 HG SER 89 -9.817 -13.281 -7.151 660 H ARG 90 H ARG 90 -9.207 -11.924 -3.146 661 HA ARG 90 HA ARG 90 -12.047 -12.301 -3.767 662 HB2 ARG 90 HB2 ARG 90 -10.565 -12.399 -1.141 663 HB3 ARG 90 HB3 ARG 90 -12.312 -12.523 -1.278 664 HG2 ARG 90 HG2 ARG 90 -12.086 -14.549 -2.594 665 HG3 ARG 90 HG3 ARG 90 -10.326 -14.410 -2.519 666 HD2 ARG 90 HD2 ARG 90 -10.403 -14.550 -0.126 667 HD3 ARG 90 HD3 ARG 90 -12.151 -14.698 -0.140 668 HE ARG 90 HE ARG 90 -10.496 -16.669 -1.564 669 HH11 ARG 90 HH11 ARG 90 -12.923 -16.088 1.001 670 HH12 ARG 90 HH12 ARG 90 -13.225 -17.737 1.293 671 HH21 ARG 90 HH21 ARG 90 -10.944 -18.995 -1.102 672 HH22 ARG 90 HH22 ARG 90 -12.083 -19.390 0.098 673 H SER 91 H SER 91 -9.944 -9.868 -3.524 674 HA SER 91 HA SER 91 -11.892 -7.995 -2.455 675 HB2 SER 91 HB2 SER 91 -8.896 -7.721 -2.839 676 HB3 SER 91 HB3 SER 91 -9.958 -6.575 -2.015 677 HG SER 91 HG SER 91 -8.895 -8.975 -1.135 678 HA PRO 92 HA PRO 92 -12.008 -6.678 -6.728 679 HB2 PRO 92 HB2 PRO 92 -13.464 -4.453 -6.527 680 HB3 PRO 92 HB3 PRO 92 -14.161 -6.037 -6.123 681 HG2 PRO 92 HG2 PRO 92 -13.280 -3.878 -4.309 682 HG3 PRO 92 HG3 PRO 92 -14.592 -5.055 -4.120 683 HD2 PRO 92 HD2 PRO 92 -12.029 -5.231 -2.965 684 HD3 PRO 92 HD3 PRO 92 -13.254 -6.512 -3.042 685 H GLU 93 H GLU 93 -11.143 -5.247 -8.219 686 HA GLU 93 HA GLU 93 -9.158 -3.389 -7.271 687 HB2 GLU 93 HB2 GLU 93 -9.777 -4.565 -9.994 688 HB3 GLU 93 HB3 GLU 93 -8.690 -3.208 -9.802 689 HG2 GLU 93 HG2 GLU 93 -8.263 -5.900 -8.497 690 HG3 GLU 93 HG3 GLU 93 -7.587 -5.448 -10.056 Start of MODEL 19 1 H ASP 14 HT1 ASP 14 -2.457 1.692 -3.509 2 HA ASP 14 HA ASP 14 -2.937 0.943 -6.278 3 HB2 ASP 14 HB2 ASP 14 -0.493 0.171 -6.025 4 HB3 ASP 14 HB3 ASP 14 -0.752 1.915 -6.114 5 H ASN 15 H ASN 15 -1.189 -0.601 -3.586 6 HA ASN 15 HA ASN 15 -2.510 -3.071 -4.051 7 HB2 ASN 15 HB2 ASN 15 -0.606 -2.121 -1.901 8 HB3 ASN 15 HB3 ASN 15 -1.272 -3.748 -1.941 9 HD21 ASN 15 HD21 ASN 15 0.868 -1.469 -3.582 10 HD22 ASN 15 HD22 ASN 15 1.689 -2.687 -4.483 11 H ARG 16 H ARG 16 -3.330 -4.220 -2.002 12 HA ARG 16 HA ARG 16 -5.058 -2.470 -0.429 13 HB2 ARG 16 HB2 ARG 16 -5.975 -5.026 -1.827 14 HB3 ARG 16 HB3 ARG 16 -6.964 -4.063 -0.745 15 HG2 ARG 16 HG2 ARG 16 -7.051 -2.257 -2.322 16 HG3 ARG 16 HG3 ARG 16 -5.871 -3.051 -3.364 17 HD2 ARG 16 HD2 ARG 16 -8.009 -3.394 -4.340 18 HD3 ARG 16 HD3 ARG 16 -7.482 -4.919 -3.630 19 HE ARG 16 HE ARG 16 -9.277 -3.230 -2.059 20 HH11 ARG 16 HH11 ARG 16 -8.893 -6.232 -4.010 21 HH12 ARG 16 HH12 ARG 16 -10.383 -6.862 -3.520 22 HH21 ARG 16 HH21 ARG 16 -11.481 -4.255 -1.435 23 HH22 ARG 16 HH22 ARG 16 -11.799 -5.756 -2.102 24 H HIS 17 H HIS 17 -6.305 -4.799 0.824 25 HA HIS 17 HA HIS 17 -4.342 -5.149 2.697 26 HB2 HIS 17 HB2 HIS 17 -7.071 -6.252 2.597 27 HB3 HIS 17 HB3 HIS 17 -5.915 -6.983 3.719 28 HD1 HIS 17 HD1 HIS 17 -4.727 -5.294 5.421 29 HD2 HIS 17 HD2 HIS 17 -8.036 -3.821 3.390 30 HE1 HIS 17 HE1 HIS 17 -5.450 -3.194 6.655 31 H ALA 18 H ALA 18 -4.491 -6.916 -0.031 32 HA ALA 18 HA ALA 18 -2.893 -9.075 0.745 33 HB1 ALA 18 HB1 ALA 18 -1.946 -9.068 -1.413 34 HB2 ALA 18 HB2 ALA 18 -2.529 -7.416 -1.741 35 HB3 ALA 18 HB3 ALA 18 -3.677 -8.764 -1.518 36 H ALA 19 H ALA 19 -2.169 -5.723 0.965 37 HA ALA 19 HA ALA 19 0.614 -5.785 1.120 38 HB1 ALA 19 HB1 ALA 19 -1.225 -4.112 2.840 39 HB2 ALA 19 HB2 ALA 19 -0.946 -3.761 1.167 40 HB3 ALA 19 HB3 ALA 19 0.432 -3.739 2.324 41 H ASP 20 H ASP 20 -1.851 -6.934 3.370 42 HA ASP 20 HA ASP 20 -0.299 -7.301 5.676 43 HB2 ASP 20 HB2 ASP 20 -2.769 -8.707 4.633 44 HB3 ASP 20 HB3 ASP 20 -1.980 -9.270 6.088 45 H TYR 21 H TYR 21 -0.329 -8.964 2.658 46 HA TYR 21 HA TYR 21 0.736 -11.527 3.197 47 HB2 TYR 21 HB2 TYR 21 0.038 -10.905 0.957 48 HB3 TYR 21 HB3 TYR 21 1.224 -9.625 0.897 49 HD1 TYR 21 HD1 TYR 21 3.652 -10.212 0.522 50 HD2 TYR 21 HD2 TYR 21 0.573 -13.138 0.400 51 HE1 TYR 21 HE1 TYR 21 5.148 -11.724 -0.714 52 HE2 TYR 21 HE2 TYR 21 2.066 -14.649 -0.818 53 HH TYR 21 HH TYR 21 5.379 -14.200 -1.121 54 H GLN 22 H GLN 22 2.210 -8.436 2.900 55 HA GLN 22 HA GLN 22 4.895 -9.243 2.877 56 HB2 GLN 22 HB2 GLN 22 4.059 -6.943 2.345 57 HB3 GLN 22 HB3 GLN 22 3.797 -6.688 4.062 58 HG2 GLN 22 HG2 GLN 22 5.838 -5.741 3.539 59 HG3 GLN 22 HG3 GLN 22 6.168 -7.241 4.441 60 HE21 GLN 22 HE21 GLN 22 8.109 -7.943 3.584 61 HE22 GLN 22 HE22 GLN 22 8.388 -8.168 1.903 62 H GLN 23 H GLN 23 2.851 -8.178 5.551 63 HA GLN 23 HA GLN 23 4.834 -8.645 7.495 64 HB2 GLN 23 HB2 GLN 23 1.909 -8.071 7.637 65 HB3 GLN 23 HB3 GLN 23 2.717 -8.583 9.097 66 HG2 GLN 23 HG2 GLN 23 2.541 -6.161 9.007 67 HG3 GLN 23 HG3 GLN 23 4.229 -6.638 8.905 68 HE21 GLN 23 HE21 GLN 23 5.358 -6.253 6.987 69 HE22 GLN 23 HE22 GLN 23 4.712 -5.238 5.748 70 H LEU 24 H LEU 24 2.155 -10.537 6.274 71 HA LEU 24 HA LEU 24 2.169 -12.717 8.034 72 HB2 LEU 24 HB2 LEU 24 0.464 -12.413 6.323 73 HB3 LEU 24 HB3 LEU 24 1.657 -12.622 5.059 74 HG LEU 24 HG LEU 24 1.953 -14.970 5.768 75 HD11 LEU 24 HD11 LEU 24 -0.343 -14.414 7.618 76 HD12 LEU 24 HD12 LEU 24 1.325 -14.788 8.079 77 HD13 LEU 24 HD13 LEU 24 0.348 -15.994 7.245 78 HD21 LEU 24 HD21 LEU 24 -0.806 -14.062 4.991 79 HD22 LEU 24 HD22 LEU 24 -0.312 -15.738 5.118 80 HD23 LEU 24 HD23 LEU 24 0.502 -14.698 3.955 81 H ARG 25 H ARG 25 3.972 -12.128 5.095 82 HA ARG 25 HA ARG 25 5.369 -14.452 4.766 83 HB2 ARG 25 HB2 ARG 25 5.096 -12.486 3.274 84 HB3 ARG 25 HB3 ARG 25 6.266 -11.639 4.267 85 HG2 ARG 25 HG2 ARG 25 7.882 -13.397 3.740 86 HG3 ARG 25 HG3 ARG 25 6.685 -14.074 2.621 87 HD2 ARG 25 HD2 ARG 25 6.576 -11.869 1.499 88 HD3 ARG 25 HD3 ARG 25 7.913 -11.331 2.519 89 HE ARG 25 HE ARG 25 7.948 -13.319 0.425 90 HH11 ARG 25 HH11 ARG 25 9.738 -11.548 2.950 91 HH12 ARG 25 HH12 ARG 25 11.268 -11.844 2.298 92 HH21 ARG 25 HH21 ARG 25 9.945 -13.817 -0.437 93 HH22 ARG 25 HH22 ARG 25 11.437 -13.254 0.211 94 H GLU 26 H GLU 26 6.625 -11.443 6.179 95 HA GLU 26 HA GLU 26 8.951 -12.581 7.211 96 HB2 GLU 26 HB2 GLU 26 7.565 -10.002 7.588 97 HB3 GLU 26 HB3 GLU 26 8.834 -10.448 8.723 98 HG2 GLU 26 HG2 GLU 26 9.875 -9.189 7.067 99 HG3 GLU 26 HG3 GLU 26 10.339 -10.843 6.768 100 H ARG 27 H ARG 27 5.747 -12.375 8.676 101 HA ARG 27 HA ARG 27 6.791 -12.982 11.255 102 HB2 ARG 27 HB2 ARG 27 4.566 -11.783 10.657 103 HB3 ARG 27 HB3 ARG 27 3.938 -13.421 10.504 104 HG2 ARG 27 HG2 ARG 27 5.393 -12.428 12.926 105 HG3 ARG 27 HG3 ARG 27 3.650 -12.341 12.750 106 HD2 ARG 27 HD2 ARG 27 3.482 -14.722 12.652 107 HD3 ARG 27 HD3 ARG 27 5.218 -14.879 12.448 108 HE ARG 27 HE ARG 27 3.793 -15.098 14.766 109 HH11 ARG 27 HH11 ARG 27 6.609 -13.040 13.976 110 HH12 ARG 27 HH12 ARG 27 7.475 -13.445 15.355 111 HH21 ARG 27 HH21 ARG 27 4.991 -15.722 16.555 112 HH22 ARG 27 HH22 ARG 27 6.523 -15.054 16.932 113 H LEU 28 H LEU 28 5.476 -14.857 8.546 114 HA LEU 28 HA LEU 28 5.052 -17.284 9.895 115 HB2 LEU 28 HB2 LEU 28 5.772 -16.716 7.031 116 HB3 LEU 28 HB3 LEU 28 5.515 -18.346 7.611 117 HG LEU 28 HG LEU 28 3.426 -16.168 7.736 118 HD11 LEU 28 HD11 LEU 28 2.390 -17.356 5.862 119 HD12 LEU 28 HD12 LEU 28 3.802 -18.413 5.762 120 HD13 LEU 28 HD13 LEU 28 3.962 -16.686 5.442 121 HD21 LEU 28 HD21 LEU 28 1.910 -18.045 8.130 122 HD22 LEU 28 HD22 LEU 28 3.128 -17.926 9.393 123 HD23 LEU 28 HD23 LEU 28 3.281 -19.153 8.135 124 H ILE 29 H ILE 29 7.845 -16.034 8.307 125 HA ILE 29 HA ILE 29 9.731 -18.028 8.633 126 HB ILE 29 HB ILE 29 9.850 -15.014 8.757 127 HG12 ILE 29 HG12 ILE 29 10.688 -16.997 6.636 128 HG13 ILE 29 HG11 ILE 29 9.213 -16.039 6.631 129 HG21 ILE 29 HG21 ILE 29 12.263 -15.127 8.515 130 HG22 ILE 29 HG22 ILE 29 12.191 -16.883 8.784 131 HG23 ILE 29 HG23 ILE 29 11.672 -15.759 10.059 132 HD11 ILE 29 HD11 ILE 29 10.873 -15.110 5.142 133 HD12 ILE 29 HD12 ILE 29 12.027 -15.000 6.465 134 HD13 ILE 29 HD13 ILE 29 10.571 -13.996 6.479 135 H GLN 30 H GLN 30 8.875 -15.531 10.959 136 HA GLN 30 HA GLN 30 10.643 -16.470 13.011 137 HB2 GLN 30 HB2 GLN 30 8.279 -14.631 13.148 138 HB3 GLN 30 HB3 GLN 30 9.527 -14.807 14.382 139 HG2 GLN 30 HG2 GLN 30 11.157 -13.839 12.924 140 HG3 GLN 30 HG3 GLN 30 10.014 -13.841 11.578 141 HE21 GLN 30 HE21 GLN 30 10.076 -11.661 11.285 142 HE22 GLN 30 HE22 GLN 30 9.419 -10.525 12.414 143 H GLU 31 H GLU 31 7.224 -16.804 12.306 144 HA GLU 31 HA GLU 31 6.342 -17.815 14.799 145 HB2 GLU 31 HB2 GLU 31 4.893 -16.737 13.132 146 HB3 GLU 31 HB3 GLU 31 5.110 -18.103 12.057 147 HG2 GLU 31 HG2 GLU 31 2.953 -18.177 13.135 148 HG3 GLU 31 HG3 GLU 31 3.951 -19.528 13.659 149 H LEU 32 H LEU 32 7.388 -19.418 11.812 150 HA LEU 32 HA LEU 32 6.889 -22.038 12.929 151 HB2 LEU 32 HB2 LEU 32 7.998 -21.104 10.296 152 HB3 LEU 32 HB3 LEU 32 8.048 -22.781 10.766 153 HG LEU 32 HG LEU 32 5.557 -22.810 10.817 154 HD11 LEU 32 HD11 LEU 32 5.801 -20.039 9.698 155 HD12 LEU 32 HD12 LEU 32 5.047 -20.487 11.232 156 HD13 LEU 32 HD13 LEU 32 4.332 -21.005 9.698 157 HD21 LEU 32 HD21 LEU 32 6.968 -21.984 8.334 158 HD22 LEU 32 HD22 LEU 32 5.311 -22.572 8.313 159 HD23 LEU 32 HD23 LEU 32 6.628 -23.622 8.884 160 H ASN 33 H ASN 33 9.217 -19.822 13.442 161 HA ASN 33 HA ASN 33 11.362 -19.778 14.203 162 HB2 ASN 33 HB2 ASN 33 10.374 -21.619 15.731 163 HB3 ASN 33 HB3 ASN 33 11.102 -22.786 14.639 164 HD21 ASN 33 HD21 ASN 33 13.360 -22.969 14.623 165 HD22 ASN 33 HD22 ASN 33 14.343 -22.370 15.926 166 H LEU 34 H LEU 34 10.988 -19.852 11.565 167 HA LEU 34 HA LEU 34 13.088 -21.580 10.518 168 HB2 LEU 34 HB2 LEU 34 10.433 -20.802 9.367 169 HB3 LEU 34 HB3 LEU 34 11.721 -21.255 8.287 170 HG LEU 34 HG LEU 34 10.322 -22.911 10.390 171 HD11 LEU 34 HD11 LEU 34 10.558 -23.181 7.410 172 HD12 LEU 34 HD12 LEU 34 9.146 -22.645 8.303 173 HD13 LEU 34 HD13 LEU 34 9.718 -24.311 8.477 174 HD21 LEU 34 HD21 LEU 34 12.668 -23.534 10.498 175 HD22 LEU 34 HD22 LEU 34 12.735 -23.661 8.743 176 HD23 LEU 34 HD23 LEU 34 11.758 -24.799 9.669 177 H THR 35 H THR 35 13.714 -20.597 8.227 178 HA THR 35 HA THR 35 14.224 -17.740 8.623 179 HB THR 35 HB THR 35 16.401 -18.155 7.420 180 HG1 THR 35 HG1 THR 35 16.817 -20.665 7.676 181 HG21 THR 35 HG21 THR 35 16.047 -19.862 9.894 182 HG22 THR 35 HG22 THR 35 16.398 -18.135 9.888 183 HG23 THR 35 HG23 THR 35 17.585 -19.278 9.259 184 HA PRO 36 HA PRO 36 12.497 -17.222 4.511 185 HB2 PRO 36 HB2 PRO 36 14.389 -15.705 3.186 186 HB3 PRO 36 HB3 PRO 36 13.223 -15.033 4.346 187 HG2 PRO 36 HG2 PRO 36 16.066 -15.789 4.784 188 HG3 PRO 36 HG3 PRO 36 15.171 -14.371 5.368 189 HD2 PRO 36 HD2 PRO 36 15.657 -16.407 6.990 190 HD3 PRO 36 HD3 PRO 36 14.110 -15.549 7.046 191 H GLN 37 H GLN 37 15.438 -18.817 4.961 192 HA GLN 37 HA GLN 37 15.687 -19.687 2.173 193 HB2 GLN 37 HB2 GLN 37 17.403 -20.327 4.577 194 HB3 GLN 37 HB3 GLN 37 17.753 -20.766 2.913 195 HG2 GLN 37 HG2 GLN 37 18.006 -18.437 2.316 196 HG3 GLN 37 HG3 GLN 37 17.551 -17.947 3.946 197 HE21 GLN 37 HE21 GLN 37 19.607 -20.706 3.294 198 HE22 GLN 37 HE22 GLN 37 21.043 -19.985 3.935 199 H GLN 38 H GLN 38 14.330 -20.636 5.121 200 HA GLN 38 HA GLN 38 14.218 -23.438 4.271 201 HB2 GLN 38 HB2 GLN 38 13.182 -22.162 6.816 202 HB3 GLN 38 HB3 GLN 38 13.170 -23.879 6.456 203 HG2 GLN 38 HG2 GLN 38 15.595 -22.146 6.864 204 HG3 GLN 38 HG3 GLN 38 14.954 -23.330 7.994 205 HE21 GLN 38 HE21 GLN 38 14.398 -25.295 5.852 206 HE22 GLN 38 HE22 GLN 38 15.956 -25.889 5.397 207 H LEU 39 H LEU 39 12.331 -20.590 4.881 208 HA LEU 39 HA LEU 39 10.008 -21.959 3.901 209 HB2 LEU 39 HB2 LEU 39 10.396 -19.476 5.429 210 HB3 LEU 39 HB3 LEU 39 8.957 -19.603 4.419 211 HG LEU 39 HG LEU 39 9.785 -21.314 6.747 212 HD11 LEU 39 HD11 LEU 39 8.901 -19.046 7.201 213 HD12 LEU 39 HD12 LEU 39 7.884 -20.327 7.833 214 HD13 LEU 39 HD13 LEU 39 7.422 -19.484 6.351 215 HD21 LEU 39 HD21 LEU 39 7.580 -22.404 6.418 216 HD22 LEU 39 HD22 LEU 39 8.708 -22.724 5.116 217 HD23 LEU 39 HD23 LEU 39 7.421 -21.532 4.891 218 H HIS 40 H HIS 40 10.723 -22.191 1.870 219 HA HIS 40 HA HIS 40 10.708 -19.952 0.091 220 HB2 HIS 40 HB2 HIS 40 11.578 -22.148 -0.668 221 HB3 HIS 40 HB3 HIS 40 10.032 -22.892 -0.340 222 HD1 HIS 40 HD1 HIS 40 8.697 -23.292 -2.407 223 HD2 HIS 40 HD2 HIS 40 11.203 -19.997 -2.774 224 HE1 HIS 40 HE1 HIS 40 8.359 -22.405 -4.746 225 H GLU 41 H GLU 41 8.933 -18.873 -0.558 226 HA GLU 41 HA GLU 41 6.714 -18.859 1.009 227 HB2 GLU 41 HB2 GLU 41 7.108 -17.685 -1.733 228 HB3 GLU 41 HB3 GLU 41 5.795 -17.245 -0.636 229 HG2 GLU 41 HG2 GLU 41 7.378 -16.508 1.038 230 HG3 GLU 41 HG3 GLU 41 8.722 -17.032 0.041 231 H GLU 42 H GLU 42 7.072 -20.728 -1.938 232 HA GLU 42 HA GLU 42 4.277 -21.475 -1.688 233 HB2 GLU 42 HB2 GLU 42 6.201 -21.936 -3.951 234 HB3 GLU 42 HB3 GLU 42 4.606 -22.679 -3.893 235 HG2 GLU 42 HG2 GLU 42 5.239 -19.740 -3.971 236 HG3 GLU 42 HG3 GLU 42 4.473 -20.706 -5.234 237 H SER 43 H SER 43 6.538 -22.492 0.054 238 HA SER 43 HA SER 43 6.387 -25.350 -0.394 239 HB2 SER 43 HB2 SER 43 7.254 -23.862 2.094 240 HB3 SER 43 HB3 SER 43 7.652 -25.526 1.666 241 HG SER 43 HG SER 43 8.581 -23.131 0.732 242 H ASN 44 H ASN 44 5.214 -26.794 1.040 243 HA ASN 44 HA ASN 44 2.631 -25.853 1.830 244 HB2 ASN 44 HB2 ASN 44 3.365 -28.421 1.345 245 HB3 ASN 44 HB3 ASN 44 3.944 -28.266 2.946 246 HD21 ASN 44 HD21 ASN 44 0.972 -28.218 1.095 247 HD22 ASN 44 HD22 ASN 44 -0.050 -28.510 2.455 248 H LEU 45 H LEU 45 2.455 -24.480 3.507 249 HA LEU 45 HA LEU 45 4.496 -24.152 5.414 250 HB2 LEU 45 HB2 LEU 45 1.664 -23.175 5.517 251 HB3 LEU 45 HB3 LEU 45 2.969 -22.626 6.553 252 HG LEU 45 HG LEU 45 2.841 -22.346 3.585 253 HD11 LEU 45 HD11 LEU 45 1.268 -20.865 4.730 254 HD12 LEU 45 HD12 LEU 45 2.618 -19.923 4.083 255 HD13 LEU 45 HD13 LEU 45 2.561 -20.325 5.802 256 HD21 LEU 45 HD21 LEU 45 4.824 -20.847 3.904 257 HD22 LEU 45 HD22 LEU 45 5.124 -22.547 4.243 258 HD23 LEU 45 HD23 LEU 45 4.906 -21.418 5.577 259 H ILE 46 H ILE 46 1.553 -25.928 5.518 260 HA ILE 46 HA ILE 46 1.481 -26.458 8.300 261 HB ILE 46 HB ILE 46 0.482 -28.257 6.061 262 HG12 ILE 46 HG12 ILE 46 -0.944 -26.089 7.626 263 HG13 ILE 46 HG11 ILE 46 -0.441 -25.992 5.943 264 HG21 ILE 46 HG21 ILE 46 -1.047 -29.181 7.759 265 HG22 ILE 46 HG22 ILE 46 -0.285 -28.171 8.989 266 HG23 ILE 46 HG23 ILE 46 0.643 -29.445 8.198 267 HD11 ILE 46 HD11 ILE 46 -2.817 -26.431 6.119 268 HD12 ILE 46 HD12 ILE 46 -2.499 -27.878 7.077 269 HD13 ILE 46 HD13 ILE 46 -1.992 -27.810 5.389 270 H GLN 47 H GLN 47 2.761 -28.328 5.645 271 HA GLN 47 HA GLN 47 4.048 -30.342 7.147 272 HB2 GLN 47 HB2 GLN 47 4.152 -29.310 4.404 273 HB3 GLN 47 HB3 GLN 47 5.280 -30.564 4.714 274 HG2 GLN 47 HG2 GLN 47 2.261 -30.656 4.871 275 HG3 GLN 47 HG3 GLN 47 3.284 -31.428 3.667 276 HE21 GLN 47 HE21 GLN 47 2.421 -33.448 4.068 277 HE22 GLN 47 HE22 GLN 47 2.766 -34.318 5.529 278 H ALA 48 H ALA 48 4.849 -27.102 6.764 279 HA ALA 48 HA ALA 48 7.705 -27.569 7.156 280 HB1 ALA 48 HB1 ALA 48 6.264 -24.979 6.579 281 HB2 ALA 48 HB2 ALA 48 7.078 -25.985 5.383 282 HB3 ALA 48 HB3 ALA 48 8.011 -25.203 6.659 283 H GLY 49 H GLY 49 5.024 -27.282 9.053 284 HA2 GLY 49 HA2 GLY 49 5.648 -27.402 11.466 285 HA3 GLY 49 HA3 GLY 49 6.621 -25.974 11.175 286 H LEU 50 H LEU 50 3.818 -25.608 9.442 287 HA LEU 50 HA LEU 50 2.660 -23.894 11.530 288 HB2 LEU 50 HB2 LEU 50 3.018 -23.074 9.164 289 HB3 LEU 50 HB3 LEU 50 1.829 -24.244 8.642 290 HG LEU 50 HG LEU 50 0.178 -23.062 10.152 291 HD11 LEU 50 HD11 LEU 50 0.694 -20.790 10.801 292 HD12 LEU 50 HD12 LEU 50 2.321 -20.957 10.157 293 HD13 LEU 50 HD13 LEU 50 1.824 -21.920 11.549 294 HD21 LEU 50 HD21 LEU 50 1.395 -21.507 7.872 295 HD22 LEU 50 HD22 LEU 50 -0.208 -21.249 8.554 296 HD23 LEU 50 HD23 LEU 50 0.165 -22.766 7.735 297 H ASP 51 H ASP 51 1.470 -25.039 12.928 298 HA ASP 51 HA ASP 51 0.045 -27.363 12.197 299 HB2 ASP 51 HB2 ASP 51 -0.783 -27.148 14.582 300 HB3 ASP 51 HB3 ASP 51 0.966 -27.239 14.395 301 HA 4HH 52 HA 4HH 52 -3.755 -25.641 11.411 302 H 4HH 52 H 4HH 52 -2.390 -27.115 13.540 303 HB3 4HH 52 HB3 4HH 52 -4.370 -28.071 11.712 304 HB2 4HH 52 HB2 4HH 52 -5.713 -26.997 12.089 305 HJ3 4HH 52 HJ3 4HH 52 -6.884 -26.219 13.777 306 HJ2 4HH 52 HJ2 4HH 52 -7.617 -26.996 15.174 307 HL13 4HH 52 HL13 4HH 52 -8.482 -26.397 11.533 308 HL12 4HH 52 HL12 4HH 52 -8.921 -28.019 11.979 309 HL11 4HH 52 HL11 4HH 52 -10.149 -26.734 11.771 310 HL21 4HH 52 HL21 4HH 52 -8.671 -24.625 14.605 311 HL23 4HH 52 HL23 4HH 52 -8.345 -24.666 12.910 312 HL22 4HH 52 HL22 4HH 52 -9.976 -24.572 13.369 313 HL3 4HH 52 HL3 4HH 52 -9.900 -28.276 14.670 314 HM 4HH 52 HM 4HH 52 -10.763 -26.985 16.303 315 HN 4HH 52 HN 4HH 52 -12.107 -27.389 12.294 316 HO2 4HH 52 HO2 4HH 52 -11.714 -24.624 13.113 317 HO3 4HH 52 HO3 4HH 52 -13.409 -25.106 13.010 318 HP3 4HH 52 HP3 4HH 52 -11.349 -25.352 10.843 319 HP2 4HH 52 HP2 4HH 52 -13.071 -25.631 10.619 320 HS2 4HH 52 HS2 4HH 52 -12.621 -22.524 13.533 321 HS3 4HH 52 HS3 4HH 52 -13.645 -21.771 12.272 322 HT3 4HH 52 HT3 4HH 52 -11.036 -20.644 13.154 323 HT2 4HH 52 HT2 4HH 52 -12.648 -20.042 13.561 324 HR 4HH 52 HR 4HH 52 -10.980 -22.421 11.421 325 HU 4HH 52 HU 4HH 52 -13.292 -19.557 10.848 326 H ILE 53 H ILE 53 -2.783 -25.345 14.457 327 HA ILE 53 HA ILE 53 -5.015 -23.712 15.313 328 HB ILE 53 HB ILE 53 -2.431 -24.411 16.694 329 HG12 ILE 53 HG12 ILE 53 -3.893 -26.336 16.526 330 HG13 ILE 53 HG11 ILE 53 -3.880 -25.767 18.191 331 HG21 ILE 53 HG21 ILE 53 -4.827 -22.895 17.793 332 HG22 ILE 53 HG22 ILE 53 -3.253 -22.205 17.444 333 HG23 ILE 53 HG23 ILE 53 -3.424 -23.391 18.745 334 HD11 ILE 53 HD11 ILE 53 -6.080 -25.288 16.175 335 HD12 ILE 53 HD12 ILE 53 -6.058 -24.686 17.829 336 HD13 ILE 53 HD13 ILE 53 -6.120 -26.420 17.525 337 H ARG 54 H ARG 54 -1.543 -23.469 14.702 338 HA ARG 54 HA ARG 54 -1.357 -20.696 14.713 339 HB2 ARG 54 HB2 ARG 54 0.122 -22.815 13.316 340 HB3 ARG 54 HB3 ARG 54 0.405 -21.115 12.955 341 HG2 ARG 54 HG2 ARG 54 0.814 -20.754 15.345 342 HG3 ARG 54 HG3 ARG 54 0.722 -22.517 15.557 343 HD2 ARG 54 HD2 ARG 54 2.404 -22.829 13.915 344 HD3 ARG 54 HD3 ARG 54 2.364 -21.080 13.634 345 HE ARG 54 HE ARG 54 3.499 -20.699 15.609 346 HH11 ARG 54 HH11 ARG 54 2.858 -24.171 15.374 347 HH12 ARG 54 HH12 ARG 54 4.332 -24.679 16.018 348 HH21 ARG 54 HH21 ARG 54 5.575 -21.341 16.487 349 HH22 ARG 54 HH22 ARG 54 5.967 -22.988 16.727 350 H LEU 55 H LEU 55 -2.290 -22.926 12.123 351 HA LEU 55 HA LEU 55 -2.611 -20.783 10.315 352 HB2 LEU 55 HB2 LEU 55 -2.174 -23.032 9.495 353 HB3 LEU 55 HB3 LEU 55 -3.719 -23.573 10.122 354 HG LEU 55 HG LEU 55 -4.906 -22.142 8.526 355 HD11 LEU 55 HD11 LEU 55 -3.368 -20.312 8.396 356 HD12 LEU 55 HD12 LEU 55 -3.715 -20.996 6.799 357 HD13 LEU 55 HD13 LEU 55 -2.187 -21.366 7.603 358 HD21 LEU 55 HD21 LEU 55 -4.286 -23.180 6.506 359 HD22 LEU 55 HD22 LEU 55 -4.254 -24.368 7.840 360 HD23 LEU 55 HD23 LEU 55 -2.738 -23.671 7.199 361 H MET 56 H MET 56 -4.854 -22.375 12.552 362 HA MET 56 HA MET 56 -7.164 -21.078 11.500 363 HB2 MET 56 HB2 MET 56 -8.359 -21.916 13.397 364 HB3 MET 56 HB3 MET 56 -7.000 -22.991 13.305 365 HG2 MET 56 HG2 MET 56 -6.408 -22.491 15.363 366 HG3 MET 56 HG3 MET 56 -6.301 -20.775 14.923 367 HE1 MET 56 HE1 MET 56 -8.211 -19.115 15.085 368 HE2 MET 56 HE2 MET 56 -9.874 -19.496 15.609 369 HE3 MET 56 HE3 MET 56 -9.227 -20.168 14.101 370 H ARG 57 H ARG 57 -4.693 -20.222 13.699 371 HA ARG 57 HA ARG 57 -5.710 -17.840 14.642 372 HB2 ARG 57 HB2 ARG 57 -4.099 -18.966 15.818 373 HB3 ARG 57 HB3 ARG 57 -3.068 -19.062 14.406 374 HG2 ARG 57 HG2 ARG 57 -2.497 -16.771 14.585 375 HG3 ARG 57 HG3 ARG 57 -3.699 -16.526 15.868 376 HD2 ARG 57 HD2 ARG 57 -2.641 -17.814 17.315 377 HD3 ARG 57 HD3 ARG 57 -1.673 -18.639 16.092 378 HE ARG 57 HE ARG 57 -1.260 -15.804 16.760 379 HH11 ARG 57 HH11 ARG 57 0.090 -19.099 16.546 380 HH12 ARG 57 HH12 ARG 57 1.716 -18.588 16.452 381 HH21 ARG 57 HH21 ARG 57 1.058 -15.129 16.669 382 HH22 ARG 57 HH22 ARG 57 2.241 -16.365 16.458 383 H TRP 58 H TRP 58 -3.904 -18.756 11.676 384 HA TRP 58 HA TRP 58 -3.444 -16.014 11.064 385 HB2 TRP 58 HB2 TRP 58 -3.072 -18.539 9.473 386 HB3 TRP 58 HB3 TRP 58 -2.902 -16.955 8.727 387 HD1 TRP 58 HD1 TRP 58 -0.816 -19.515 10.133 388 HE1 TRP 58 HE1 TRP 58 1.454 -18.588 10.920 389 HE3 TRP 58 HE3 TRP 58 -1.971 -14.550 10.237 390 HZ2 TRP 58 HZ2 TRP 58 2.618 -16.025 11.486 391 HZ3 TRP 58 HZ3 TRP 58 -0.248 -12.944 10.913 392 HH2 TRP 58 HH2 TRP 58 1.982 -13.670 11.530 393 H LEU 59 H LEU 59 -5.909 -18.328 10.582 394 HA LEU 59 HA LEU 59 -7.212 -16.949 8.493 395 HB2 LEU 59 HB2 LEU 59 -7.537 -19.405 9.230 396 HB3 LEU 59 HB3 LEU 59 -8.640 -18.772 10.429 397 HG LEU 59 HG LEU 59 -9.775 -19.653 8.372 398 HD11 LEU 59 HD11 LEU 59 -10.119 -16.732 8.802 399 HD12 LEU 59 HD12 LEU 59 -10.943 -18.011 9.712 400 HD13 LEU 59 HD13 LEU 59 -11.251 -17.792 7.971 401 HD21 LEU 59 HD21 LEU 59 -8.057 -18.973 6.785 402 HD22 LEU 59 HD22 LEU 59 -8.531 -17.282 7.012 403 HD23 LEU 59 HD23 LEU 59 -9.667 -18.437 6.322 404 H HIS 60 H HIS 60 -7.603 -16.876 12.041 405 HA HIS 60 HA HIS 60 -9.709 -14.984 11.744 406 HB2 HIS 60 HB2 HIS 60 -9.961 -14.893 14.128 407 HB3 HIS 60 HB3 HIS 60 -9.340 -16.499 13.816 408 HD1 HIS 60 HD1 HIS 60 -9.177 -15.192 16.616 409 HD2 HIS 60 HD2 HIS 60 -6.157 -15.144 13.794 410 HE1 HIS 60 HE1 HIS 60 -7.039 -14.927 17.913 411 H TRP 61 H TRP 61 -6.386 -14.766 11.647 412 HA TRP 61 HA TRP 61 -6.115 -11.942 12.023 413 HB2 TRP 61 HB2 TRP 61 -4.230 -13.481 12.388 414 HB3 TRP 61 HB3 TRP 61 -4.364 -14.067 10.744 415 HD1 TRP 61 HD1 TRP 61 -2.992 -11.139 12.786 416 HE1 TRP 61 HE1 TRP 61 -1.326 -9.829 11.304 417 HE3 TRP 61 HE3 TRP 61 -3.838 -13.482 8.326 418 HZ2 TRP 61 HZ2 TRP 61 -0.489 -9.806 8.619 419 HZ3 TRP 61 HZ3 TRP 61 -2.562 -12.763 6.357 420 HH2 TRP 61 HH2 TRP 61 -0.929 -10.969 6.501 421 H PHE 62 H PHE 62 -6.993 -14.051 9.364 422 HA PHE 62 HA PHE 62 -6.928 -11.849 7.504 423 HB2 PHE 62 HB2 PHE 62 -8.087 -14.668 7.170 424 HB3 PHE 62 HB3 PHE 62 -8.289 -13.399 5.996 425 HD1 PHE 62 HD2 PHE 62 -6.375 -12.404 4.890 426 HD2 PHE 62 HD1 PHE 62 -6.006 -15.877 7.283 427 HE1 PHE 62 HE2 PHE 62 -4.217 -12.927 3.819 428 HE2 PHE 62 HE1 PHE 62 -3.868 -16.406 6.219 429 HZ PHE 62 HZ PHE 62 -2.969 -14.929 4.480 430 H ARG 63 H ARG 63 -9.273 -13.484 9.465 431 HA ARG 63 HA ARG 63 -11.599 -12.148 8.575 432 HB2 ARG 63 HB2 ARG 63 -11.019 -13.175 11.362 433 HB3 ARG 63 HB3 ARG 63 -12.601 -12.735 10.751 434 HG2 ARG 63 HG2 ARG 63 -10.879 -14.988 9.739 435 HG3 ARG 63 HG3 ARG 63 -12.276 -15.151 10.800 436 HD2 ARG 63 HD2 ARG 63 -12.297 -14.112 7.961 437 HD3 ARG 63 HD3 ARG 63 -12.844 -15.698 8.491 438 HE ARG 63 HE ARG 63 -14.107 -13.377 9.679 439 HH11 ARG 63 HH11 ARG 63 -14.343 -16.055 7.357 440 HH12 ARG 63 HH12 ARG 63 -16.005 -15.919 7.102 441 HH21 ARG 63 HH21 ARG 63 -16.443 -13.152 9.340 442 HH22 ARG 63 HH22 ARG 63 -17.256 -14.197 8.274 443 H LYS 64 H LYS 64 -9.015 -11.156 10.612 444 HA LYS 64 HA LYS 64 -10.181 -9.014 12.005 445 HB2 LYS 64 HB2 LYS 64 -8.024 -8.731 12.842 446 HB3 LYS 64 HB3 LYS 64 -7.814 -10.261 12.062 447 HG2 LYS 64 HG2 LYS 64 -6.922 -9.207 10.080 448 HG3 LYS 64 HG3 LYS 64 -7.127 -7.624 10.826 449 HD2 LYS 64 HD2 LYS 64 -5.631 -8.309 12.622 450 HD3 LYS 64 HD3 LYS 64 -5.408 -9.867 11.823 451 HE2 LYS 64 HE2 LYS 64 -4.709 -7.161 10.617 452 HE3 LYS 64 HE3 LYS 64 -3.544 -8.302 11.280 453 HZ1 LYS 64 HZ1 LYS 64 -4.102 -9.868 9.533 454 HZ2 LYS 64 HZ2 LYS 64 -3.761 -8.383 8.783 455 HZ3 LYS 64 HZ3 LYS 64 -5.324 -8.891 8.956 456 H ASN 65 H ASN 65 -9.122 -9.339 8.697 457 HA ASN 65 HA ASN 65 -9.131 -6.435 8.201 458 HB2 ASN 65 HB2 ASN 65 -8.541 -8.706 6.290 459 HB3 ASN 65 HB3 ASN 65 -8.306 -7.000 5.982 460 HD21 ASN 65 HD21 ASN 65 -6.478 -6.018 6.753 461 HD22 ASN 65 HD22 ASN 65 -5.131 -6.890 7.352 462 H GLY 66 H GLY 66 -11.274 -8.873 8.398 463 HA2 GLY 66 HA2 GLY 66 -13.505 -8.843 7.760 464 HA3 GLY 66 HA3 GLY 66 -13.129 -7.587 6.590 465 H TYR 67 H TYR 67 -10.981 -10.276 6.439 466 HA TYR 67 HA TYR 67 -11.803 -10.914 3.845 467 HB2 TYR 67 HB2 TYR 67 -9.956 -12.257 5.758 468 HB3 TYR 67 HB3 TYR 67 -10.380 -13.043 4.240 469 HD1 TYR 67 HD1 TYR 67 -9.990 -11.736 2.115 470 HD2 TYR 67 HD2 TYR 67 -8.231 -10.677 5.816 471 HE1 TYR 67 HE1 TYR 67 -8.297 -10.452 0.933 472 HE2 TYR 67 HE2 TYR 67 -6.513 -9.367 4.632 473 HH TYR 67 HH TYR 67 -5.508 -9.218 2.450 474 H ARG 68 H ARG 68 -13.258 -12.083 3.082 475 HA ARG 68 HA ARG 68 -14.969 -13.634 4.809 476 HB2 ARG 68 HB2 ARG 68 -15.156 -13.054 1.838 477 HB3 ARG 68 HB3 ARG 68 -16.424 -13.770 2.836 478 HG2 ARG 68 HG2 ARG 68 -16.690 -11.778 4.070 479 HG3 ARG 68 HG3 ARG 68 -15.261 -11.056 3.329 480 HD2 ARG 68 HD2 ARG 68 -16.421 -11.097 1.150 481 HD3 ARG 68 HD3 ARG 68 -17.857 -11.743 1.950 482 HE ARG 68 HE ARG 68 -17.628 -9.621 3.366 483 HH11 ARG 68 HH11 ARG 68 -16.819 -9.735 -0.129 484 HH12 ARG 68 HH12 ARG 68 -17.229 -8.126 -0.367 485 HH21 ARG 68 HH21 ARG 68 -18.097 -7.296 2.929 486 HH22 ARG 68 HH22 ARG 68 -17.842 -6.708 1.366 487 H LEU 69 H LEU 69 -13.157 -15.051 5.248 488 HA LEU 69 HA LEU 69 -12.914 -17.266 3.312 489 HB2 LEU 69 HB2 LEU 69 -10.749 -16.117 5.087 490 HB3 LEU 69 HB3 LEU 69 -10.590 -17.544 4.094 491 HG LEU 69 HG LEU 69 -11.012 -14.754 3.004 492 HD11 LEU 69 HD11 LEU 69 -8.639 -14.844 2.415 493 HD12 LEU 69 HD12 LEU 69 -8.491 -16.400 3.228 494 HD13 LEU 69 HD13 LEU 69 -8.857 -14.950 4.162 495 HD21 LEU 69 HD21 LEU 69 -11.774 -16.535 1.521 496 HD22 LEU 69 HD22 LEU 69 -10.205 -17.335 1.703 497 HD23 LEU 69 HD23 LEU 69 -10.305 -15.764 0.903 498 H THR 70 H THR 70 -12.655 -19.313 4.353 499 HA THR 70 HA THR 70 -13.003 -19.316 7.258 500 HB THR 70 HB THR 70 -14.061 -21.523 7.041 501 HG1 THR 70 HG1 THR 70 -13.408 -21.220 4.281 502 HG21 THR 70 HG21 THR 70 -15.272 -19.630 5.033 503 HG22 THR 70 HG22 THR 70 -15.573 -19.608 6.773 504 HG23 THR 70 HG23 THR 70 -16.107 -20.982 5.796 505 H LEU 71 H LEU 71 -11.926 -21.582 8.046 506 HA LEU 71 HA LEU 71 -9.171 -21.252 7.442 507 HB2 LEU 71 HB2 LEU 71 -10.047 -22.209 9.626 508 HB3 LEU 71 HB3 LEU 71 -10.485 -23.625 8.723 509 HG LEU 71 HG LEU 71 -8.194 -24.174 8.305 510 HD11 LEU 71 HD11 LEU 71 -7.621 -21.554 9.649 511 HD12 LEU 71 HD12 LEU 71 -7.179 -22.032 7.992 512 HD13 LEU 71 HD13 LEU 71 -6.449 -22.834 9.397 513 HD21 LEU 71 HD21 LEU 71 -8.580 -23.330 11.153 514 HD22 LEU 71 HD22 LEU 71 -7.442 -24.538 10.558 515 HD23 LEU 71 HD23 LEU 71 -9.184 -24.816 10.425 516 H ARG 72 H ARG 72 -11.608 -23.332 6.203 517 HA ARG 72 HA ARG 72 -10.324 -25.547 5.245 518 HB2 ARG 72 HB2 ARG 72 -12.312 -24.043 3.625 519 HB3 ARG 72 HB3 ARG 72 -12.006 -25.762 3.596 520 HG2 ARG 72 HG2 ARG 72 -12.962 -26.004 5.809 521 HG3 ARG 72 HG3 ARG 72 -13.212 -24.253 5.906 522 HD2 ARG 72 HD2 ARG 72 -14.424 -26.166 3.954 523 HD3 ARG 72 HD3 ARG 72 -15.281 -25.266 5.222 524 HE ARG 72 HE ARG 72 -13.882 -23.516 3.448 525 HH11 ARG 72 HH11 ARG 72 -16.918 -25.282 3.653 526 HH12 ARG 72 HH12 ARG 72 -17.682 -24.336 2.449 527 HH21 ARG 72 HH21 ARG 72 -14.753 -22.357 1.936 528 HH22 ARG 72 HH22 ARG 72 -16.372 -22.506 1.379 529 H GLU 73 H GLU 73 -10.757 -22.418 3.593 530 HA GLU 73 HA GLU 73 -9.667 -23.049 1.134 531 HB2 GLU 73 HB2 GLU 73 -9.850 -20.380 2.536 532 HB3 GLU 73 HB3 GLU 73 -9.302 -20.556 0.882 533 HG2 GLU 73 HG2 GLU 73 -11.599 -19.861 0.860 534 HG3 GLU 73 HG3 GLU 73 -11.536 -21.530 0.307 535 H LEU 74 H LEU 74 -8.018 -21.645 3.964 536 HA LEU 74 HA LEU 74 -5.515 -21.427 2.533 537 HB2 LEU 74 HB2 LEU 74 -5.710 -21.493 5.523 538 HB3 LEU 74 HB3 LEU 74 -4.508 -20.718 4.531 539 HG LEU 74 HG LEU 74 -7.272 -19.885 5.101 540 HD11 LEU 74 HD11 LEU 74 -5.708 -19.436 6.853 541 HD12 LEU 74 HD12 LEU 74 -6.120 -17.906 6.064 542 HD13 LEU 74 HD13 LEU 74 -4.585 -18.703 5.700 543 HD21 LEU 74 HD21 LEU 74 -6.867 -17.869 3.815 544 HD22 LEU 74 HD22 LEU 74 -6.845 -19.324 2.802 545 HD23 LEU 74 HD23 LEU 74 -5.320 -18.533 3.259 546 H TYR 75 H TYR 75 -7.188 -23.600 4.493 547 HA TYR 75 HA TYR 75 -5.055 -25.093 5.625 548 HB2 TYR 75 HB2 TYR 75 -7.441 -24.607 6.435 549 HB3 TYR 75 HB3 TYR 75 -7.950 -25.893 5.355 550 HD1 TYR 75 HD2 TYR 75 -4.807 -26.532 6.980 551 HD2 TYR 75 HD1 TYR 75 -9.014 -26.477 7.426 552 HE1 TYR 75 HE2 TYR 75 -4.615 -27.973 8.956 553 HE2 TYR 75 HE1 TYR 75 -8.903 -27.816 9.341 554 HH TYR 75 HH TYR 75 -7.265 -29.508 10.463 555 H ALA 76 H ALA 76 -7.123 -25.352 2.808 556 HA ALA 76 HA ALA 76 -6.163 -27.957 2.091 557 HB1 ALA 76 HB1 ALA 76 -7.775 -25.974 0.480 558 HB2 ALA 76 HB2 ALA 76 -8.436 -27.258 1.492 559 HB3 ALA 76 HB3 ALA 76 -7.497 -27.663 0.055 560 H ALA 77 H ALA 77 -5.564 -24.610 1.113 561 HA ALA 77 HA ALA 77 -3.198 -25.561 -0.322 562 HB1 ALA 77 HB1 ALA 77 -4.909 -24.851 -1.954 563 HB2 ALA 77 HB2 ALA 77 -3.489 -23.804 -1.986 564 HB3 ALA 77 HB3 ALA 77 -4.960 -23.260 -1.187 565 HA PRO 78 HA PRO 78 -1.838 -22.355 2.561 566 HB2 PRO 78 HB2 PRO 78 -0.106 -23.818 4.019 567 HB3 PRO 78 HB3 PRO 78 -1.853 -23.831 4.337 568 HG2 PRO 78 HG2 PRO 78 -0.194 -25.946 3.210 569 HG3 PRO 78 HG3 PRO 78 -1.819 -26.033 3.906 570 HD2 PRO 78 HD2 PRO 78 -1.084 -25.950 1.110 571 HD3 PRO 78 HD3 PRO 78 -2.689 -26.154 1.848 572 H THR 79 H THR 79 -0.842 -21.453 0.616 573 HA THR 79 HA THR 79 2.030 -21.592 0.833 574 HB THR 79 HB THR 79 2.320 -21.460 -1.618 575 HG1 THR 79 HG1 THR 79 0.850 -21.214 -2.930 576 HG21 THR 79 HG21 THR 79 1.668 -23.727 -2.313 577 HG22 THR 79 HG22 THR 79 0.607 -23.829 -0.905 578 HG23 THR 79 HG23 THR 79 2.354 -23.718 -0.683 579 H LEU 80 H LEU 80 2.936 -19.513 0.098 580 HA LEU 80 HA LEU 80 1.210 -17.514 1.125 581 HB2 LEU 80 HB2 LEU 80 4.022 -17.810 0.714 582 HB3 LEU 80 HB3 LEU 80 3.499 -16.208 0.206 583 HG LEU 80 HG LEU 80 2.853 -17.351 2.948 584 HD11 LEU 80 HD11 LEU 80 5.125 -15.553 2.103 585 HD12 LEU 80 HD12 LEU 80 5.293 -17.222 2.669 586 HD13 LEU 80 HD13 LEU 80 4.675 -15.972 3.753 587 HD21 LEU 80 HD21 LEU 80 1.447 -15.530 2.183 588 HD22 LEU 80 HD22 LEU 80 2.883 -14.568 1.831 589 HD23 LEU 80 HD23 LEU 80 2.517 -15.023 3.494 590 H ALA 81 H ALA 81 2.353 -18.219 -2.142 591 HA ALA 81 HA ALA 81 1.405 -15.728 -3.159 592 HB1 ALA 81 HB1 ALA 81 1.989 -18.269 -4.679 593 HB2 ALA 81 HB2 ALA 81 3.158 -17.000 -4.323 594 HB3 ALA 81 HB3 ALA 81 1.785 -16.663 -5.380 595 H ALA 82 H ALA 82 -0.007 -18.923 -2.789 596 HA ALA 82 HA ALA 82 -2.379 -18.338 -4.240 597 HB1 ALA 82 HB1 ALA 82 -3.423 -20.174 -3.029 598 HB2 ALA 82 HB2 ALA 82 -2.032 -20.273 -1.948 599 HB3 ALA 82 HB3 ALA 82 -1.849 -20.656 -3.671 600 H TRP 83 H TRP 83 -1.433 -17.979 -0.887 601 HA TRP 83 HA TRP 83 -3.915 -17.008 0.008 602 HB2 TRP 83 HB2 TRP 83 -1.145 -16.684 1.114 603 HB3 TRP 83 HB3 TRP 83 -2.579 -16.045 1.913 604 HD1 TRP 83 HD1 TRP 83 -3.793 -19.140 0.539 605 HE1 TRP 83 HE1 TRP 83 -3.665 -21.038 2.207 606 HE3 TRP 83 HE3 TRP 83 -0.634 -17.004 3.770 607 HZ2 TRP 83 HZ2 TRP 83 -2.459 -21.540 4.668 608 HZ3 TRP 83 HZ3 TRP 83 0.018 -18.254 5.853 609 HH2 TRP 83 HH2 TRP 83 -0.884 -20.505 6.262 610 H ASN 84 H ASN 84 -1.058 -15.373 -1.136 611 HA ASN 84 HA ASN 84 -1.889 -12.712 -1.015 612 HB2 ASN 84 HB2 ASN 84 0.338 -13.399 -1.841 613 HB3 ASN 84 HB3 ASN 84 -0.403 -14.052 -3.293 614 HD21 ASN 84 HD21 ASN 84 0.820 -12.732 -4.604 615 HD22 ASN 84 HD22 ASN 84 0.516 -11.027 -4.731 616 H GLN 85 H GLN 85 -2.550 -15.094 -3.544 617 HA GLN 85 HA GLN 85 -4.188 -13.523 -5.197 618 HB2 GLN 85 HB2 GLN 85 -3.251 -15.700 -5.875 619 HB3 GLN 85 HB3 GLN 85 -4.264 -16.517 -4.704 620 HG2 GLN 85 HG2 GLN 85 -6.259 -15.753 -5.930 621 HG3 GLN 85 HG3 GLN 85 -5.209 -14.995 -7.126 622 HE21 GLN 85 HE21 GLN 85 -6.387 -17.992 -5.846 623 HE22 GLN 85 HE22 GLN 85 -5.814 -18.974 -7.158 624 H LEU 86 H LEU 86 -4.992 -15.671 -2.498 625 HA LEU 86 HA LEU 86 -7.798 -15.358 -2.508 626 HB2 LEU 86 HB2 LEU 86 -5.976 -16.006 -0.204 627 HB3 LEU 86 HB3 LEU 86 -7.708 -16.246 -0.234 628 HG LEU 86 HG LEU 86 -5.731 -17.683 -2.014 629 HD11 LEU 86 HD11 LEU 86 -5.587 -18.249 0.364 630 HD12 LEU 86 HD12 LEU 86 -6.107 -19.586 -0.666 631 HD13 LEU 86 HD13 LEU 86 -7.299 -18.695 0.315 632 HD21 LEU 86 HD21 LEU 86 -8.677 -18.105 -1.582 633 HD22 LEU 86 HD22 LEU 86 -7.603 -19.155 -2.496 634 HD23 LEU 86 HD23 LEU 86 -7.919 -17.508 -3.072 635 H MET 87 H MET 87 -5.285 -13.241 -1.511 636 HA MET 87 HA MET 87 -6.749 -11.868 0.572 637 HB2 MET 87 HB2 MET 87 -4.078 -11.504 -0.718 638 HB3 MET 87 HB3 MET 87 -4.795 -10.239 0.247 639 HG2 MET 87 HG2 MET 87 -4.781 -11.702 2.164 640 HG3 MET 87 HG3 MET 87 -4.061 -12.988 1.174 641 HE1 MET 87 HE1 MET 87 -2.885 -11.457 3.859 642 HE2 MET 87 HE2 MET 87 -1.178 -11.414 3.439 643 HE3 MET 87 HE3 MET 87 -2.112 -12.903 3.169 644 H LEU 88 H LEU 88 -5.216 -11.158 -2.458 645 HA LEU 88 HA LEU 88 -6.170 -8.583 -2.523 646 HB2 LEU 88 HB2 LEU 88 -4.114 -8.891 -3.444 647 HB3 LEU 88 HB3 LEU 88 -4.549 -10.431 -4.153 648 HG LEU 88 HG LEU 88 -5.944 -9.314 -5.578 649 HD11 LEU 88 HD11 LEU 88 -4.383 -6.853 -4.587 650 HD12 LEU 88 HD12 LEU 88 -6.127 -7.068 -4.499 651 HD13 LEU 88 HD13 LEU 88 -5.353 -6.773 -6.064 652 HD21 LEU 88 HD21 LEU 88 -3.901 -10.163 -6.377 653 HD22 LEU 88 HD22 LEU 88 -3.005 -8.771 -5.765 654 HD23 LEU 88 HD23 LEU 88 -4.080 -8.584 -7.157 655 H SER 89 H SER 89 -7.257 -11.585 -4.008 656 HA SER 89 HA SER 89 -8.871 -10.256 -5.844 657 HB2 SER 89 HB2 SER 89 -9.149 -13.097 -4.835 658 HB3 SER 89 HB3 SER 89 -9.881 -12.454 -6.306 659 HG SER 89 HG SER 89 -7.206 -13.011 -5.721 660 H ARG 90 H ARG 90 -9.102 -10.562 -2.560 661 HA ARG 90 HA ARG 90 -12.003 -10.141 -2.508 662 HB2 ARG 90 HB2 ARG 90 -10.220 -11.389 -0.403 663 HB3 ARG 90 HB3 ARG 90 -11.887 -10.926 -0.120 664 HG2 ARG 90 HG2 ARG 90 -11.179 -12.846 -2.306 665 HG3 ARG 90 HG3 ARG 90 -11.311 -13.390 -0.638 666 HD2 ARG 90 HD2 ARG 90 -13.394 -13.754 -1.895 667 HD3 ARG 90 HD3 ARG 90 -13.623 -12.652 -0.548 668 HE ARG 90 HE ARG 90 -14.000 -10.907 -2.026 669 HH11 ARG 90 HH11 ARG 90 -13.292 -13.875 -3.805 670 HH12 ARG 90 HH12 ARG 90 -13.892 -13.294 -5.302 671 HH21 ARG 90 HH21 ARG 90 -14.803 -10.117 -3.983 672 HH22 ARG 90 HH22 ARG 90 -14.793 -11.025 -5.419 673 H SER 91 H SER 91 -9.220 -9.564 -0.338 674 HA SER 91 HA SER 91 -9.059 -8.093 1.397 675 HB2 SER 91 HB2 SER 91 -9.372 -6.258 -1.008 676 HB3 SER 91 HB3 SER 91 -8.599 -5.806 0.511 677 HG SER 91 HG SER 91 -7.628 -8.121 -0.567 678 HA PRO 92 HA PRO 92 -12.965 -6.140 2.804 679 HB2 PRO 92 HB2 PRO 92 -12.021 -3.329 2.563 680 HB3 PRO 92 HB3 PRO 92 -12.664 -4.169 3.992 681 HG2 PRO 92 HG2 PRO 92 -10.115 -3.617 3.862 682 HG3 PRO 92 HG3 PRO 92 -10.667 -5.185 4.489 683 HD2 PRO 92 HD2 PRO 92 -9.548 -4.543 1.795 684 HD3 PRO 92 HD3 PRO 92 -9.194 -5.924 2.861 685 H GLU 93 H GLU 93 -14.642 -6.113 1.515 686 HA GLU 93 HA GLU 93 -14.674 -4.476 -0.917 687 HB2 GLU 93 HB2 GLU 93 -16.036 -7.075 -0.280 688 HB3 GLU 93 HB3 GLU 93 -16.167 -6.229 -1.820 689 HG2 GLU 93 HG2 GLU 93 -13.841 -6.721 -2.283 690 HG3 GLU 93 HG3 GLU 93 -13.647 -7.430 -0.681 Start of MODEL 20 1 H ASP 14 HT1 ASP 14 1.963 -9.770 -4.889 2 HA ASP 14 HA ASP 14 1.488 -8.629 -2.249 3 HB2 ASP 14 HB2 ASP 14 2.946 -6.855 -3.152 4 HB3 ASP 14 HB3 ASP 14 3.788 -8.407 -3.168 5 H ASN 15 H ASN 15 1.282 -6.062 -3.467 6 HA ASN 15 HA ASN 15 -0.124 -4.594 -4.352 7 HB2 ASN 15 HB2 ASN 15 -0.035 -5.820 -6.506 8 HB3 ASN 15 HB3 ASN 15 -1.358 -6.848 -5.957 9 HD21 ASN 15 HD21 ASN 15 -2.736 -6.196 -7.671 10 HD22 ASN 15 HD22 ASN 15 -3.462 -4.647 -7.746 11 H ARG 16 H ARG 16 -1.694 -3.583 -3.573 12 HA ARG 16 HA ARG 16 -3.334 -2.973 -2.194 13 HB2 ARG 16 HB2 ARG 16 -4.577 -3.446 -4.193 14 HB3 ARG 16 HB3 ARG 16 -4.713 -5.139 -3.765 15 HG2 ARG 16 HG2 ARG 16 -6.099 -4.503 -1.828 16 HG3 ARG 16 HG3 ARG 16 -6.008 -2.820 -2.354 17 HD2 ARG 16 HD2 ARG 16 -6.978 -5.037 -4.098 18 HD3 ARG 16 HD3 ARG 16 -8.071 -4.108 -3.061 19 HE ARG 16 HE ARG 16 -6.372 -2.761 -5.045 20 HH11 ARG 16 HH11 ARG 16 -9.638 -3.854 -4.188 21 HH12 ARG 16 HH12 ARG 16 -10.348 -2.657 -5.222 22 HH21 ARG 16 HH21 ARG 16 -7.461 -1.091 -6.234 23 HH22 ARG 16 HH22 ARG 16 -9.186 -1.153 -6.299 24 H HIS 17 H HIS 17 -4.695 -6.172 -2.032 25 HA HIS 17 HA HIS 17 -4.793 -6.038 0.878 26 HB2 HIS 17 HB2 HIS 17 -5.848 -7.957 -1.174 27 HB3 HIS 17 HB3 HIS 17 -5.907 -8.302 0.551 28 HD1 HIS 17 HD1 HIS 17 -7.256 -6.462 1.964 29 HD2 HIS 17 HD2 HIS 17 -7.951 -6.559 -2.111 30 HE1 HIS 17 HE1 HIS 17 -9.448 -5.208 1.593 31 H ALA 18 H ALA 18 -3.081 -7.701 -1.500 32 HA ALA 18 HA ALA 18 -2.031 -9.546 0.296 33 HB1 ALA 18 HB1 ALA 18 -2.263 -10.009 -1.986 34 HB2 ALA 18 HB2 ALA 18 -0.566 -10.211 -1.507 35 HB3 ALA 18 HB3 ALA 18 -1.081 -8.783 -2.443 36 H ALA 19 H ALA 19 -1.405 -6.284 -0.068 37 HA ALA 19 HA ALA 19 1.332 -6.180 0.644 38 HB1 ALA 19 HB1 ALA 19 0.922 -3.952 1.417 39 HB2 ALA 19 HB2 ALA 19 -0.821 -4.221 1.395 40 HB3 ALA 19 HB3 ALA 19 0.091 -4.194 -0.125 41 H ASP 20 H ASP 20 -1.532 -6.920 2.682 42 HA ASP 20 HA ASP 20 0.248 -6.626 4.882 43 HB2 ASP 20 HB2 ASP 20 -1.498 -7.309 6.465 44 HB3 ASP 20 HB3 ASP 20 -2.103 -6.070 5.392 45 H TYR 21 H TYR 21 -0.407 -9.011 2.722 46 HA TYR 21 HA TYR 21 0.442 -11.333 4.071 47 HB2 TYR 21 HB2 TYR 21 0.125 -12.211 2.006 48 HB3 TYR 21 HB3 TYR 21 0.093 -10.602 1.316 49 HD1 TYR 21 HD2 TYR 21 2.225 -9.648 0.310 50 HD2 TYR 21 HD1 TYR 21 2.086 -13.663 1.734 51 HE1 TYR 21 HE2 TYR 21 4.210 -10.207 -1.000 52 HE2 TYR 21 HE1 TYR 21 3.990 -14.233 0.451 53 HH TYR 21 HH TYR 21 5.231 -13.332 -1.632 54 H GLN 22 H GLN 22 2.212 -8.614 2.969 55 HA GLN 22 HA GLN 22 4.884 -9.387 3.028 56 HB2 GLN 22 HB2 GLN 22 4.138 -7.198 2.312 57 HB3 GLN 22 HB3 GLN 22 3.477 -6.856 3.894 58 HG2 GLN 22 HG2 GLN 22 5.411 -5.588 3.649 59 HG3 GLN 22 HG3 GLN 22 5.789 -6.905 4.769 60 HE21 GLN 22 HE21 GLN 22 7.950 -6.722 4.415 61 HE22 GLN 22 HE22 GLN 22 8.741 -7.219 2.980 62 H GLN 23 H GLN 23 2.903 -8.079 5.612 63 HA GLN 23 HA GLN 23 4.771 -8.578 7.707 64 HB2 GLN 23 HB2 GLN 23 1.793 -8.038 7.861 65 HB3 GLN 23 HB3 GLN 23 2.805 -8.219 9.278 66 HG2 GLN 23 HG2 GLN 23 2.452 -5.904 8.888 67 HG3 GLN 23 HG3 GLN 23 4.136 -6.263 8.531 68 HE21 GLN 23 HE21 GLN 23 1.392 -6.910 6.399 69 HE22 GLN 23 HE22 GLN 23 1.874 -5.776 5.180 70 H LEU 24 H LEU 24 2.035 -10.389 6.485 71 HA LEU 24 HA LEU 24 1.805 -12.494 8.332 72 HB2 LEU 24 HB2 LEU 24 0.239 -12.197 6.514 73 HB3 LEU 24 HB3 LEU 24 1.518 -12.467 5.347 74 HG LEU 24 HG LEU 24 1.721 -14.799 6.207 75 HD11 LEU 24 HD11 LEU 24 -0.139 -15.748 7.441 76 HD12 LEU 24 HD12 LEU 24 -0.825 -14.135 7.651 77 HD13 LEU 24 HD13 LEU 24 0.733 -14.538 8.378 78 HD21 LEU 24 HD21 LEU 24 -0.926 -13.977 5.064 79 HD22 LEU 24 HD22 LEU 24 -0.233 -15.613 5.035 80 HD23 LEU 24 HD23 LEU 24 0.554 -14.306 4.160 81 H ARG 25 H ARG 25 3.762 -12.323 5.433 82 HA ARG 25 HA ARG 25 4.886 -14.835 5.486 83 HB2 ARG 25 HB2 ARG 25 4.676 -13.158 3.678 84 HB3 ARG 25 HB3 ARG 25 5.969 -12.259 4.433 85 HG2 ARG 25 HG2 ARG 25 7.470 -14.110 4.062 86 HG3 ARG 25 HG3 ARG 25 6.148 -15.009 3.285 87 HD2 ARG 25 HD2 ARG 25 7.432 -13.888 1.548 88 HD3 ARG 25 HD3 ARG 25 5.822 -13.142 1.760 89 HE ARG 25 HE ARG 25 7.798 -11.945 3.425 90 HH11 ARG 25 HH11 ARG 25 6.644 -11.794 0.047 91 HH12 ARG 25 HH12 ARG 25 7.026 -10.147 -0.092 92 HH21 ARG 25 HH21 ARG 25 8.221 -9.795 3.225 93 HH22 ARG 25 HH22 ARG 25 7.880 -8.939 1.787 94 H GLU 26 H GLU 26 6.269 -11.730 6.542 95 HA GLU 26 HA GLU 26 8.575 -12.855 7.573 96 HB2 GLU 26 HB2 GLU 26 7.292 -10.206 7.811 97 HB3 GLU 26 HB3 GLU 26 8.596 -10.606 8.925 98 HG2 GLU 26 HG2 GLU 26 9.564 -9.504 7.085 99 HG3 GLU 26 HG3 GLU 26 10.022 -11.181 6.985 100 H ARG 27 H ARG 27 5.433 -12.482 9.025 101 HA ARG 27 HA ARG 27 6.364 -13.052 11.699 102 HB2 ARG 27 HB2 ARG 27 4.113 -11.933 10.757 103 HB3 ARG 27 HB3 ARG 27 3.567 -13.590 10.998 104 HG2 ARG 27 HG2 ARG 27 5.003 -12.019 13.097 105 HG3 ARG 27 HG3 ARG 27 3.260 -12.005 12.947 106 HD2 ARG 27 HD2 ARG 27 3.258 -14.436 13.450 107 HD3 ARG 27 HD3 ARG 27 5.020 -14.414 13.481 108 HE ARG 27 HE ARG 27 4.256 -12.523 15.281 109 HH11 ARG 27 HH11 ARG 27 3.502 -16.009 14.974 110 HH12 ARG 27 HH12 ARG 27 3.482 -16.316 16.592 111 HH21 ARG 27 HH21 ARG 27 4.204 -12.966 17.643 112 HH22 ARG 27 HH22 ARG 27 3.889 -14.548 18.173 113 H LEU 28 H LEU 28 5.288 -14.835 8.911 114 HA LEU 28 HA LEU 28 4.783 -17.295 10.215 115 HB2 LEU 28 HB2 LEU 28 5.423 -16.621 7.353 116 HB3 LEU 28 HB3 LEU 28 5.176 -18.272 7.881 117 HG LEU 28 HG LEU 28 3.096 -16.095 8.156 118 HD11 LEU 28 HD11 LEU 28 1.995 -17.201 6.276 119 HD12 LEU 28 HD12 LEU 28 3.380 -18.281 6.102 120 HD13 LEU 28 HD13 LEU 28 3.564 -16.551 5.814 121 HD21 LEU 28 HD21 LEU 28 2.962 -19.084 8.423 122 HD22 LEU 28 HD22 LEU 28 1.597 -17.975 8.484 123 HD23 LEU 28 HD23 LEU 28 2.834 -17.911 9.737 124 H ILE 29 H ILE 29 7.564 -15.879 8.692 125 HA ILE 29 HA ILE 29 9.444 -17.892 8.899 126 HB ILE 29 HB ILE 29 9.647 -14.913 9.331 127 HG12 ILE 29 HG12 ILE 29 10.409 -16.668 6.988 128 HG13 ILE 29 HG11 ILE 29 8.990 -15.637 7.089 129 HG21 ILE 29 HG21 ILE 29 11.440 -15.870 10.534 130 HG22 ILE 29 HG22 ILE 29 12.061 -15.082 9.071 131 HG23 ILE 29 HG23 ILE 29 11.931 -16.852 9.144 132 HD11 ILE 29 HD11 ILE 29 10.712 -14.630 5.719 133 HD12 ILE 29 HD12 ILE 29 11.858 -14.748 7.050 134 HD13 ILE 29 HD13 ILE 29 10.471 -13.668 7.182 135 H GLN 30 H GLN 30 8.491 -15.601 11.380 136 HA GLN 30 HA GLN 30 10.145 -16.810 13.379 137 HB2 GLN 30 HB2 GLN 30 8.029 -14.695 13.481 138 HB3 GLN 30 HB3 GLN 30 8.984 -15.173 14.895 139 HG2 GLN 30 HG2 GLN 30 11.016 -14.479 13.717 140 HG3 GLN 30 HG3 GLN 30 10.053 -14.040 12.311 141 HE21 GLN 30 HE21 GLN 30 7.905 -12.908 13.937 142 HE22 GLN 30 HE22 GLN 30 8.548 -11.397 14.524 143 H GLU 31 H GLU 31 6.770 -17.054 12.489 144 HA GLU 31 HA GLU 31 5.749 -18.356 14.803 145 HB2 GLU 31 HB2 GLU 31 4.344 -17.220 13.129 146 HB3 GLU 31 HB3 GLU 31 4.822 -18.401 11.927 147 HG2 GLU 31 HG2 GLU 31 2.595 -18.877 12.661 148 HG3 GLU 31 HG3 GLU 31 3.669 -20.148 13.229 149 H LEU 32 H LEU 32 7.062 -19.548 11.744 150 HA LEU 32 HA LEU 32 6.674 -22.319 12.469 151 HB2 LEU 32 HB2 LEU 32 7.804 -20.962 10.035 152 HB3 LEU 32 HB3 LEU 32 7.902 -22.688 10.256 153 HG LEU 32 HG LEU 32 5.415 -22.818 10.206 154 HD11 LEU 32 HD11 LEU 32 4.809 -20.626 11.002 155 HD12 LEU 32 HD12 LEU 32 4.134 -20.890 9.383 156 HD13 LEU 32 HD13 LEU 32 5.564 -19.890 9.593 157 HD21 LEU 32 HD21 LEU 32 6.638 -23.191 8.210 158 HD22 LEU 32 HD22 LEU 32 6.768 -21.463 7.928 159 HD23 LEU 32 HD23 LEU 32 5.187 -22.254 7.801 160 H ASN 33 H ASN 33 8.933 -20.018 13.193 161 HA ASN 33 HA ASN 33 11.049 -19.983 14.041 162 HB2 ASN 33 HB2 ASN 33 10.029 -21.987 15.366 163 HB3 ASN 33 HB3 ASN 33 10.877 -23.026 14.243 164 HD21 ASN 33 HD21 ASN 33 13.339 -21.499 14.184 165 HD22 ASN 33 HD22 ASN 33 14.071 -21.661 15.752 166 H LEU 34 H LEU 34 10.570 -20.105 11.309 167 HA LEU 34 HA LEU 34 12.759 -21.678 10.197 168 HB2 LEU 34 HB2 LEU 34 10.217 -20.633 9.060 169 HB3 LEU 34 HB3 LEU 34 11.558 -20.887 7.976 170 HG LEU 34 HG LEU 34 10.113 -22.937 9.661 171 HD11 LEU 34 HD11 LEU 34 8.953 -22.191 7.658 172 HD12 LEU 34 HD12 LEU 34 9.528 -23.853 7.475 173 HD13 LEU 34 HD13 LEU 34 10.387 -22.520 6.695 174 HD21 LEU 34 HD21 LEU 34 11.559 -24.594 8.546 175 HD22 LEU 34 HD22 LEU 34 12.480 -23.529 9.601 176 HD23 LEU 34 HD23 LEU 34 12.501 -23.276 7.852 177 H THR 35 H THR 35 13.395 -20.488 7.996 178 HA THR 35 HA THR 35 14.184 -17.773 8.662 179 HB THR 35 HB THR 35 16.296 -18.361 7.311 180 HG1 THR 35 HG1 THR 35 15.862 -21.009 8.065 181 HG21 THR 35 HG21 THR 35 16.359 -18.107 9.758 182 HG22 THR 35 HG22 THR 35 17.434 -19.408 9.235 183 HG23 THR 35 HG23 THR 35 15.862 -19.790 9.940 184 HA PRO 36 HA PRO 36 12.349 -16.516 4.850 185 HB2 PRO 36 HB2 PRO 36 14.978 -15.508 3.885 186 HB3 PRO 36 HB3 PRO 36 13.434 -14.648 4.033 187 HG2 PRO 36 HG2 PRO 36 15.391 -14.216 5.752 188 HG3 PRO 36 HG3 PRO 36 13.696 -14.230 6.265 189 HD2 PRO 36 HD2 PRO 36 15.808 -16.262 6.715 190 HD3 PRO 36 HD3 PRO 36 14.418 -15.825 7.726 191 H GLN 37 H GLN 37 15.492 -18.076 4.401 192 HA GLN 37 HA GLN 37 14.970 -18.766 1.643 193 HB2 GLN 37 HB2 GLN 37 17.114 -20.011 3.378 194 HB3 GLN 37 HB3 GLN 37 17.068 -19.948 1.629 195 HG2 GLN 37 HG2 GLN 37 18.640 -18.344 2.113 196 HG3 GLN 37 HG3 GLN 37 17.179 -17.366 1.998 197 HE21 GLN 37 HE21 GLN 37 19.575 -18.682 4.112 198 HE22 GLN 37 HE22 GLN 37 19.168 -17.727 5.494 199 H GLN 38 H GLN 38 13.865 -20.085 4.472 200 HA GLN 38 HA GLN 38 13.520 -22.708 3.208 201 HB2 GLN 38 HB2 GLN 38 13.080 -21.796 6.059 202 HB3 GLN 38 HB3 GLN 38 12.694 -23.407 5.468 203 HG2 GLN 38 HG2 GLN 38 15.440 -22.169 5.468 204 HG3 GLN 38 HG3 GLN 38 14.840 -23.317 6.664 205 HE21 GLN 38 HE21 GLN 38 17.086 -23.515 4.777 206 HE22 GLN 38 HE22 GLN 38 16.758 -24.948 3.856 207 H LEU 39 H LEU 39 12.080 -19.769 3.501 208 HA LEU 39 HA LEU 39 9.515 -20.997 3.238 209 HB2 LEU 39 HB2 LEU 39 10.231 -18.737 4.951 210 HB3 LEU 39 HB3 LEU 39 8.658 -18.639 4.148 211 HG LEU 39 HG LEU 39 9.664 -20.751 6.040 212 HD11 LEU 39 HD11 LEU 39 9.138 -18.579 7.042 213 HD12 LEU 39 HD12 LEU 39 8.014 -19.834 7.555 214 HD13 LEU 39 HD13 LEU 39 7.523 -18.650 6.339 215 HD21 LEU 39 HD21 LEU 39 7.341 -21.591 5.940 216 HD22 LEU 39 HD22 LEU 39 8.192 -21.760 4.416 217 HD23 LEU 39 HD23 LEU 39 7.022 -20.452 4.629 218 H HIS 40 H HIS 40 9.914 -21.088 1.115 219 HA HIS 40 HA HIS 40 9.623 -18.827 -0.624 220 HB2 HIS 40 HB2 HIS 40 8.821 -21.734 -0.845 221 HB3 HIS 40 HB3 HIS 40 8.523 -20.567 -2.101 222 HD1 HIS 40 HD1 HIS 40 10.025 -20.856 -3.936 223 HD2 HIS 40 HD2 HIS 40 11.848 -21.852 -0.336 224 HE1 HIS 40 HE1 HIS 40 12.074 -21.991 -4.568 225 H GLU 41 H GLU 41 7.421 -18.426 -1.716 226 HA GLU 41 HA GLU 41 5.389 -18.945 0.228 227 HB2 GLU 41 HB2 GLU 41 3.848 -17.579 -1.253 228 HB3 GLU 41 HB3 GLU 41 5.203 -16.705 -0.581 229 HG2 GLU 41 HG2 GLU 41 6.303 -16.797 -2.764 230 HG3 GLU 41 HG3 GLU 41 4.920 -17.680 -3.419 231 H GLU 42 H GLU 42 6.722 -20.326 -2.354 232 HA GLU 42 HA GLU 42 4.647 -22.122 -3.229 233 HB2 GLU 42 HB2 GLU 42 7.652 -22.368 -3.360 234 HB3 GLU 42 HB3 GLU 42 6.611 -23.292 -4.377 235 HG2 GLU 42 HG2 GLU 42 7.254 -21.709 -5.850 236 HG3 GLU 42 HG3 GLU 42 5.915 -20.791 -5.140 237 H SER 43 H SER 43 6.613 -21.929 -0.424 238 HA SER 43 HA SER 43 6.893 -24.711 0.067 239 HB2 SER 43 HB2 SER 43 7.073 -22.352 1.962 240 HB3 SER 43 HB3 SER 43 7.519 -24.006 2.371 241 HG SER 43 HG SER 43 9.396 -23.273 1.723 242 H ASN 44 H ASN 44 5.573 -26.093 1.085 243 HA ASN 44 HA ASN 44 2.846 -25.430 1.664 244 HB2 ASN 44 HB2 ASN 44 3.846 -27.878 1.188 245 HB3 ASN 44 HB3 ASN 44 4.356 -27.715 2.826 246 HD21 ASN 44 HD21 ASN 44 1.530 -27.994 0.822 247 HD22 ASN 44 HD22 ASN 44 0.450 -28.412 2.102 248 H LEU 45 H LEU 45 2.187 -24.466 3.522 249 HA LEU 45 HA LEU 45 4.270 -23.737 5.356 250 HB2 LEU 45 HB2 LEU 45 1.358 -23.062 5.459 251 HB3 LEU 45 HB3 LEU 45 2.622 -22.350 6.451 252 HG LEU 45 HG LEU 45 2.353 -22.168 3.493 253 HD11 LEU 45 HD11 LEU 45 1.966 -19.755 3.956 254 HD12 LEU 45 HD12 LEU 45 2.057 -20.116 5.684 255 HD13 LEU 45 HD13 LEU 45 0.743 -20.784 4.713 256 HD21 LEU 45 HD21 LEU 45 4.435 -20.983 5.327 257 HD22 LEU 45 HD22 LEU 45 4.241 -20.548 3.629 258 HD23 LEU 45 HD23 LEU 45 4.698 -22.193 4.070 259 H ILE 46 H ILE 46 1.634 -25.911 5.440 260 HA ILE 46 HA ILE 46 1.770 -26.363 8.273 261 HB ILE 46 HB ILE 46 0.599 -28.145 6.102 262 HG12 ILE 46 HG12 ILE 46 -0.661 -26.152 7.999 263 HG13 ILE 46 HG11 ILE 46 -0.476 -25.993 6.256 264 HG21 ILE 46 HG21 ILE 46 -0.606 -29.303 7.913 265 HG22 ILE 46 HG22 ILE 46 0.263 -28.337 9.106 266 HG23 ILE 46 HG23 ILE 46 1.142 -29.478 8.088 267 HD11 ILE 46 HD11 ILE 46 -2.025 -27.872 5.934 268 HD12 ILE 46 HD12 ILE 46 -2.766 -26.561 6.849 269 HD13 ILE 46 HD13 ILE 46 -2.210 -28.012 7.684 270 H GLN 47 H GLN 47 3.032 -28.040 5.489 271 HA GLN 47 HA GLN 47 4.533 -29.963 6.923 272 HB2 GLN 47 HB2 GLN 47 4.468 -28.949 4.152 273 HB3 GLN 47 HB3 GLN 47 5.698 -30.117 4.488 274 HG2 GLN 47 HG2 GLN 47 2.698 -30.414 4.695 275 HG3 GLN 47 HG3 GLN 47 3.763 -31.176 3.519 276 HE21 GLN 47 HE21 GLN 47 1.865 -32.362 5.414 277 HE22 GLN 47 HE22 GLN 47 2.814 -33.454 6.369 278 H ALA 48 H ALA 48 5.003 -26.674 6.583 279 HA ALA 48 HA ALA 48 7.895 -26.908 6.941 280 HB1 ALA 48 HB1 ALA 48 6.312 -24.450 6.193 281 HB2 ALA 48 HB2 ALA 48 7.171 -25.493 5.068 282 HB3 ALA 48 HB3 ALA 48 8.068 -24.580 6.276 283 H GLY 49 H GLY 49 5.109 -26.513 8.830 284 HA2 GLY 49 HA2 GLY 49 6.220 -26.306 11.220 285 HA3 GLY 49 HA3 GLY 49 6.456 -24.666 10.664 286 H LEU 50 H LEU 50 3.696 -24.859 9.277 287 HA LEU 50 HA LEU 50 2.193 -23.991 11.610 288 HB2 LEU 50 HB2 LEU 50 1.329 -24.300 8.729 289 HB3 LEU 50 HB3 LEU 50 0.265 -23.769 10.008 290 HG LEU 50 HG LEU 50 2.690 -22.301 8.973 291 HD11 LEU 50 HD11 LEU 50 0.742 -22.280 7.477 292 HD12 LEU 50 HD12 LEU 50 1.052 -20.690 8.172 293 HD13 LEU 50 HD13 LEU 50 -0.257 -21.687 8.804 294 HD21 LEU 50 HD21 LEU 50 1.964 -20.486 10.441 295 HD22 LEU 50 HD22 LEU 50 2.392 -21.920 11.367 296 HD23 LEU 50 HD23 LEU 50 0.690 -21.519 11.084 297 H ASP 51 H ASP 51 0.342 -24.978 12.486 298 HA ASP 51 HA ASP 51 0.199 -27.765 11.791 299 HB2 ASP 51 HB2 ASP 51 -0.908 -27.849 14.178 300 HB3 ASP 51 HB3 ASP 51 0.842 -27.771 14.032 301 HA 4HH 52 HA 4HH 52 -4.194 -26.230 11.544 302 H 4HH 52 H 4HH 52 -2.104 -26.194 13.669 303 HB3 4HH 52 HB3 4HH 52 -4.370 -27.388 14.338 304 HB2 4HH 52 HB2 4HH 52 -4.251 -28.328 12.841 305 HJ3 4HH 52 HJ3 4HH 52 -7.535 -26.125 13.413 306 HJ2 4HH 52 HJ2 4HH 52 -8.131 -26.297 15.061 307 HL13 4HH 52 HL13 4HH 52 -9.253 -26.340 11.486 308 HL12 4HH 52 HL12 4HH 52 -9.840 -27.806 12.209 309 HL11 4HH 52 HL11 4HH 52 -10.941 -26.433 11.847 310 HL21 4HH 52 HL21 4HH 52 -8.979 -24.137 14.200 311 HL23 4HH 52 HL23 4HH 52 -8.803 -24.536 12.529 312 HL22 4HH 52 HL22 4HH 52 -10.378 -24.096 13.060 313 HL3 4HH 52 HL3 4HH 52 -10.645 -27.539 14.856 314 HM 4HH 52 HM 4HH 52 -11.211 -25.959 16.420 315 HN 4HH 52 HN 4HH 52 -12.849 -26.500 12.498 316 HO2 4HH 52 HO2 4HH 52 -12.085 -23.849 12.615 317 HO3 4HH 52 HO3 4HH 52 -13.457 -23.968 13.747 318 HP3 4HH 52 HP3 4HH 52 -13.540 -24.685 10.870 319 HP2 4HH 52 HP2 4HH 52 -14.901 -24.770 11.979 320 HS2 4HH 52 HS2 4HH 52 -12.547 -21.566 13.424 321 HS3 4HH 52 HS3 4HH 52 -14.135 -20.798 13.119 322 HT3 4HH 52 HT3 4HH 52 -11.560 -19.865 11.971 323 HT2 4HH 52 HT2 4HH 52 -12.519 -19.096 13.236 324 HR 4HH 52 HR 4HH 52 -12.805 -21.704 10.745 325 HU 4HH 52 HU 4HH 52 -14.768 -18.801 11.539 326 H ILE 53 H ILE 53 -3.920 -25.861 14.931 327 HA ILE 53 HA ILE 53 -5.495 -23.659 15.461 328 HB ILE 53 HB ILE 53 -2.999 -24.592 16.818 329 HG12 ILE 53 HG12 ILE 53 -4.649 -26.359 16.726 330 HG13 ILE 53 HG11 ILE 53 -4.565 -25.752 18.375 331 HG21 ILE 53 HG21 ILE 53 -5.207 -22.798 17.907 332 HG22 ILE 53 HG22 ILE 53 -3.557 -22.304 17.552 333 HG23 ILE 53 HG23 ILE 53 -3.871 -23.438 18.869 334 HD11 ILE 53 HD11 ILE 53 -6.865 -26.193 17.724 335 HD12 ILE 53 HD12 ILE 53 -6.715 -25.098 16.357 336 HD13 ILE 53 HD13 ILE 53 -6.625 -24.469 18.001 337 H ARG 54 H ARG 54 -1.977 -23.775 14.795 338 HA ARG 54 HA ARG 54 -1.279 -21.072 15.001 339 HB2 ARG 54 HB2 ARG 54 -0.316 -23.319 13.389 340 HB3 ARG 54 HB3 ARG 54 0.209 -21.683 13.015 341 HG2 ARG 54 HG2 ARG 54 0.879 -21.471 15.379 342 HG3 ARG 54 HG3 ARG 54 0.574 -23.216 15.528 343 HD2 ARG 54 HD2 ARG 54 2.070 -23.696 13.795 344 HD3 ARG 54 HD3 ARG 54 2.143 -21.960 13.435 345 HE ARG 54 HE ARG 54 3.473 -21.595 15.264 346 HH11 ARG 54 HH11 ARG 54 2.630 -25.013 15.213 347 HH12 ARG 54 HH12 ARG 54 4.158 -25.614 15.602 348 HH21 ARG 54 HH21 ARG 54 5.660 -22.337 15.796 349 HH22 ARG 54 HH22 ARG 54 5.994 -24.001 16.009 350 H LEU 55 H LEU 55 -2.615 -22.836 12.319 351 HA LEU 55 HA LEU 55 -2.425 -20.654 10.500 352 HB2 LEU 55 HB2 LEU 55 -2.240 -23.118 9.933 353 HB3 LEU 55 HB3 LEU 55 -3.933 -23.208 10.275 354 HG LEU 55 HG LEU 55 -3.073 -21.238 8.225 355 HD11 LEU 55 HD11 LEU 55 -3.336 -24.183 7.961 356 HD12 LEU 55 HD12 LEU 55 -1.921 -23.119 7.643 357 HD13 LEU 55 HD13 LEU 55 -3.380 -23.020 6.607 358 HD21 LEU 55 HD21 LEU 55 -5.221 -21.825 7.280 359 HD22 LEU 55 HD22 LEU 55 -5.346 -21.297 8.961 360 HD23 LEU 55 HD23 LEU 55 -5.467 -23.023 8.570 361 H MET 56 H MET 56 -5.045 -22.199 12.341 362 HA MET 56 HA MET 56 -7.036 -20.517 11.266 363 HB2 MET 56 HB2 MET 56 -7.669 -22.443 12.623 364 HB3 MET 56 HB3 MET 56 -6.953 -21.686 14.042 365 HG2 MET 56 HG2 MET 56 -8.625 -19.701 13.373 366 HG3 MET 56 HG3 MET 56 -9.512 -21.030 12.635 367 HE1 MET 56 HE1 MET 56 -7.648 -19.742 15.573 368 HE2 MET 56 HE2 MET 56 -7.314 -21.459 15.870 369 HE3 MET 56 HE3 MET 56 -8.346 -20.559 16.992 370 H ARG 57 H ARG 57 -4.693 -20.065 13.815 371 HA ARG 57 HA ARG 57 -5.659 -17.722 14.808 372 HB2 ARG 57 HB2 ARG 57 -2.959 -18.808 14.569 373 HB3 ARG 57 HB3 ARG 57 -3.142 -17.155 15.158 374 HG2 ARG 57 HG2 ARG 57 -4.788 -18.149 16.833 375 HG3 ARG 57 HG3 ARG 57 -4.129 -19.719 16.356 376 HD2 ARG 57 HD2 ARG 57 -2.445 -17.437 17.114 377 HD3 ARG 57 HD3 ARG 57 -3.110 -18.507 18.352 378 HE ARG 57 HE ARG 57 -1.821 -20.302 17.425 379 HH11 ARG 57 HH11 ARG 57 -0.848 -17.221 15.861 380 HH12 ARG 57 HH12 ARG 57 0.780 -17.734 15.669 381 HH21 ARG 57 HH21 ARG 57 0.509 -20.852 17.197 382 HH22 ARG 57 HH22 ARG 57 1.539 -19.751 16.418 383 H TRP 58 H TRP 58 -3.887 -18.445 11.799 384 HA TRP 58 HA TRP 58 -3.371 -15.724 11.165 385 HB2 TRP 58 HB2 TRP 58 -3.131 -18.280 9.597 386 HB3 TRP 58 HB3 TRP 58 -2.809 -16.709 8.871 387 HD1 TRP 58 HD1 TRP 58 -0.969 -19.402 10.256 388 HE1 TRP 58 HE1 TRP 58 1.297 -18.592 11.305 389 HE3 TRP 58 HE3 TRP 58 -1.937 -14.406 10.534 390 HZ2 TRP 58 HZ2 TRP 58 2.496 -16.025 12.103 391 HZ3 TRP 58 HZ3 TRP 58 -0.254 -12.887 11.422 392 HH2 TRP 58 HH2 TRP 58 1.885 -13.687 12.184 393 H LEU 59 H LEU 59 -5.767 -18.094 10.377 394 HA LEU 59 HA LEU 59 -7.208 -16.529 8.508 395 HB2 LEU 59 HB2 LEU 59 -7.440 -19.024 8.973 396 HB3 LEU 59 HB3 LEU 59 -8.329 -18.596 10.409 397 HG LEU 59 HG LEU 59 -9.712 -19.369 8.468 398 HD11 LEU 59 HD11 LEU 59 -10.302 -16.610 9.465 399 HD12 LEU 59 HD12 LEU 59 -10.755 -18.131 10.240 400 HD13 LEU 59 HD13 LEU 59 -11.455 -17.689 8.682 401 HD21 LEU 59 HD21 LEU 59 -8.457 -18.300 6.676 402 HD22 LEU 59 HD22 LEU 59 -8.952 -16.710 7.266 403 HD23 LEU 59 HD23 LEU 59 -10.155 -17.833 6.639 404 H HIS 60 H HIS 60 -7.279 -16.808 11.966 405 HA HIS 60 HA HIS 60 -9.291 -14.991 12.638 406 HB2 HIS 60 HB2 HIS 60 -8.272 -16.420 14.314 407 HB3 HIS 60 HB3 HIS 60 -6.687 -15.734 14.000 408 HD1 HIS 60 HD1 HIS 60 -5.993 -14.100 15.768 409 HD2 HIS 60 HD2 HIS 60 -10.053 -14.336 15.226 410 HE1 HIS 60 HE1 HIS 60 -6.980 -12.523 17.483 411 H TRP 61 H TRP 61 -5.842 -14.526 12.090 412 HA TRP 61 HA TRP 61 -5.718 -11.775 12.487 413 HB2 TRP 61 HB2 TRP 61 -3.760 -13.275 12.436 414 HB3 TRP 61 HB3 TRP 61 -4.026 -13.555 10.725 415 HD1 TRP 61 HD1 TRP 61 -2.977 -10.691 13.118 416 HE1 TRP 61 HE1 TRP 61 -1.414 -9.097 11.776 417 HE3 TRP 61 HE3 TRP 61 -3.320 -12.862 8.512 418 HZ2 TRP 61 HZ2 TRP 61 -0.476 -8.826 9.156 419 HZ3 TRP 61 HZ3 TRP 61 -2.052 -11.884 6.655 420 HH2 TRP 61 HH2 TRP 61 -0.662 -9.910 6.976 421 H PHE 62 H PHE 62 -6.365 -13.676 9.576 422 HA PHE 62 HA PHE 62 -6.679 -11.491 7.816 423 HB2 PHE 62 HB2 PHE 62 -7.733 -14.325 7.645 424 HB3 PHE 62 HB3 PHE 62 -7.985 -13.156 6.375 425 HD1 PHE 62 HD1 PHE 62 -5.569 -11.857 5.876 426 HD2 PHE 62 HD2 PHE 62 -6.144 -15.884 7.113 427 HE1 PHE 62 HE1 PHE 62 -3.439 -12.501 4.830 428 HE2 PHE 62 HE2 PHE 62 -4.020 -16.512 6.087 429 HZ PHE 62 HZ PHE 62 -2.673 -14.838 4.940 430 H ARG 63 H ARG 63 -9.057 -13.272 9.768 431 HA ARG 63 HA ARG 63 -11.453 -12.028 8.994 432 HB2 ARG 63 HB2 ARG 63 -10.560 -12.890 11.750 433 HB3 ARG 63 HB3 ARG 63 -12.179 -12.320 11.408 434 HG2 ARG 63 HG2 ARG 63 -10.881 -14.731 10.192 435 HG3 ARG 63 HG3 ARG 63 -12.031 -14.750 11.533 436 HD2 ARG 63 HD2 ARG 63 -13.679 -13.646 10.072 437 HD3 ARG 63 HD3 ARG 63 -12.528 -13.767 8.738 438 HE ARG 63 HE ARG 63 -13.463 -16.134 10.165 439 HH11 ARG 63 HH11 ARG 63 -13.070 -14.322 7.126 440 HH12 ARG 63 HH12 ARG 63 -13.561 -15.652 6.163 441 HH21 ARG 63 HH21 ARG 63 -14.191 -17.898 8.775 442 HH22 ARG 63 HH22 ARG 63 -14.228 -17.646 7.081 443 H LYS 64 H LYS 64 -9.111 -11.131 11.308 444 HA LYS 64 HA LYS 64 -10.249 -8.832 12.409 445 HB2 LYS 64 HB2 LYS 64 -8.487 -10.328 13.272 446 HB3 LYS 64 HB3 LYS 64 -7.391 -9.638 12.101 447 HG2 LYS 64 HG2 LYS 64 -7.745 -7.431 13.214 448 HG3 LYS 64 HG3 LYS 64 -8.637 -8.297 14.477 449 HD2 LYS 64 HD2 LYS 64 -6.527 -8.356 15.372 450 HD3 LYS 64 HD3 LYS 64 -6.573 -9.859 14.457 451 HE2 LYS 64 HE2 LYS 64 -5.243 -7.250 13.626 452 HE3 LYS 64 HE3 LYS 64 -4.441 -8.759 14.017 453 HZ1 LYS 64 HZ1 LYS 64 -5.566 -9.699 11.919 454 HZ2 LYS 64 HZ2 LYS 64 -4.437 -8.501 11.647 455 HZ3 LYS 64 HZ3 LYS 64 -6.029 -8.124 11.559 456 H ASN 65 H ASN 65 -8.727 -9.315 9.303 457 HA ASN 65 HA ASN 65 -8.321 -6.413 9.072 458 HB2 ASN 65 HB2 ASN 65 -7.165 -8.558 7.244 459 HB3 ASN 65 HB3 ASN 65 -6.873 -6.833 7.112 460 HD21 ASN 65 HD21 ASN 65 -4.854 -8.757 7.197 461 HD22 ASN 65 HD22 ASN 65 -3.962 -8.575 8.614 462 H GLY 66 H GLY 66 -10.637 -8.551 8.605 463 HA2 GLY 66 HA2 GLY 66 -12.661 -8.163 7.528 464 HA3 GLY 66 HA3 GLY 66 -11.879 -6.945 6.537 465 H TYR 67 H TYR 67 -10.455 -10.108 6.737 466 HA TYR 67 HA TYR 67 -11.054 -10.441 3.936 467 HB2 TYR 67 HB2 TYR 67 -9.188 -11.858 5.767 468 HB3 TYR 67 HB3 TYR 67 -9.510 -12.477 4.141 469 HD1 TYR 67 HD2 TYR 67 -8.178 -9.700 6.071 470 HD2 TYR 67 HD1 TYR 67 -8.550 -11.417 2.226 471 HE1 TYR 67 HE2 TYR 67 -6.551 -8.067 5.198 472 HE2 TYR 67 HE1 TYR 67 -6.931 -9.804 1.324 473 HH TYR 67 HH TYR 67 -5.021 -7.834 3.350 474 H ARG 68 H ARG 68 -12.443 -11.599 3.103 475 HA ARG 68 HA ARG 68 -14.082 -13.306 4.778 476 HB2 ARG 68 HB2 ARG 68 -15.761 -13.128 2.967 477 HB3 ARG 68 HB3 ARG 68 -15.240 -11.555 3.540 478 HG2 ARG 68 HG2 ARG 68 -13.539 -12.137 1.433 479 HG3 ARG 68 HG3 ARG 68 -15.125 -12.697 0.905 480 HD2 ARG 68 HD2 ARG 68 -14.925 -10.425 0.205 481 HD3 ARG 68 HD3 ARG 68 -16.021 -10.447 1.585 482 HE ARG 68 HE ARG 68 -14.114 -9.686 2.960 483 HH11 ARG 68 HH11 ARG 68 -13.994 -9.092 -0.556 484 HH12 ARG 68 HH12 ARG 68 -12.941 -7.787 -0.470 485 HH21 ARG 68 HH21 ARG 68 -12.615 -7.873 3.106 486 HH22 ARG 68 HH22 ARG 68 -12.141 -7.050 1.691 487 H LEU 69 H LEU 69 -11.961 -14.593 4.622 488 HA LEU 69 HA LEU 69 -11.837 -16.427 2.333 489 HB2 LEU 69 HB2 LEU 69 -10.138 -16.281 4.830 490 HB3 LEU 69 HB3 LEU 69 -9.820 -17.267 3.425 491 HG LEU 69 HG LEU 69 -9.756 -14.256 3.470 492 HD11 LEU 69 HD11 LEU 69 -7.504 -16.264 3.467 493 HD12 LEU 69 HD12 LEU 69 -7.962 -15.229 4.819 494 HD13 LEU 69 HD13 LEU 69 -7.324 -14.515 3.339 495 HD21 LEU 69 HD21 LEU 69 -8.638 -14.497 1.312 496 HD22 LEU 69 HD22 LEU 69 -10.280 -15.141 1.286 497 HD23 LEU 69 HD23 LEU 69 -8.902 -16.239 1.383 498 H THR 70 H THR 70 -11.836 -18.782 2.833 499 HA THR 70 HA THR 70 -13.370 -19.400 5.238 500 HB THR 70 HB THR 70 -12.650 -21.331 3.070 501 HG1 THR 70 HG1 THR 70 -13.588 -19.752 1.910 502 HG21 THR 70 HG21 THR 70 -15.063 -21.070 4.873 503 HG22 THR 70 HG22 THR 70 -13.723 -22.194 5.087 504 HG23 THR 70 HG23 THR 70 -14.801 -22.361 3.701 505 H LEU 71 H LEU 71 -12.477 -20.832 6.685 506 HA LEU 71 HA LEU 71 -9.643 -20.875 6.938 507 HB2 LEU 71 HB2 LEU 71 -11.142 -20.902 8.882 508 HB3 LEU 71 HB3 LEU 71 -11.767 -22.456 8.393 509 HG LEU 71 HG LEU 71 -9.530 -23.446 8.800 510 HD11 LEU 71 HD11 LEU 71 -8.114 -21.454 8.601 511 HD12 LEU 71 HD12 LEU 71 -7.919 -22.269 10.159 512 HD13 LEU 71 HD13 LEU 71 -8.860 -20.803 10.072 513 HD21 LEU 71 HD21 LEU 71 -10.843 -22.058 11.105 514 HD22 LEU 71 HD22 LEU 71 -9.646 -23.331 11.228 515 HD23 LEU 71 HD23 LEU 71 -11.205 -23.672 10.470 516 H ARG 72 H ARG 72 -11.945 -23.015 5.556 517 HA ARG 72 HA ARG 72 -10.399 -25.376 5.496 518 HB2 ARG 72 HB2 ARG 72 -12.855 -25.348 5.199 519 HB3 ARG 72 HB3 ARG 72 -12.609 -24.539 3.654 520 HG2 ARG 72 HG2 ARG 72 -11.422 -26.494 2.799 521 HG3 ARG 72 HG3 ARG 72 -11.661 -27.316 4.340 522 HD2 ARG 72 HD2 ARG 72 -14.082 -27.206 4.023 523 HD3 ARG 72 HD3 ARG 72 -13.847 -26.369 2.490 524 HE ARG 72 HE ARG 72 -12.422 -28.789 2.523 525 HH11 ARG 72 HH11 ARG 72 -15.730 -27.571 2.202 526 HH12 ARG 72 HH12 ARG 72 -16.318 -28.884 1.302 527 HH21 ARG 72 HH21 ARG 72 -13.209 -30.647 1.258 528 HH22 ARG 72 HH22 ARG 72 -14.823 -30.698 0.745 529 H GLU 73 H GLU 73 -10.519 -22.535 3.412 530 HA GLU 73 HA GLU 73 -9.375 -23.654 1.108 531 HB2 GLU 73 HB2 GLU 73 -9.410 -20.828 2.170 532 HB3 GLU 73 HB3 GLU 73 -8.729 -21.250 0.606 533 HG2 GLU 73 HG2 GLU 73 -10.854 -21.966 -0.202 534 HG3 GLU 73 HG3 GLU 73 -11.577 -21.814 1.395 535 H LEU 74 H LEU 74 -7.924 -21.797 3.775 536 HA LEU 74 HA LEU 74 -5.345 -22.024 2.938 537 HB2 LEU 74 HB2 LEU 74 -6.519 -21.585 5.662 538 HB3 LEU 74 HB3 LEU 74 -4.787 -21.626 5.380 539 HG LEU 74 HG LEU 74 -5.073 -19.741 3.797 540 HD11 LEU 74 HD11 LEU 74 -7.813 -19.669 4.890 541 HD12 LEU 74 HD12 LEU 74 -7.278 -19.953 3.207 542 HD13 LEU 74 HD13 LEU 74 -7.024 -18.368 3.969 543 HD21 LEU 74 HD21 LEU 74 -5.911 -19.261 6.644 544 HD22 LEU 74 HD22 LEU 74 -5.350 -18.026 5.515 545 HD23 LEU 74 HD23 LEU 74 -4.261 -19.324 6.009 546 H TYR 75 H TYR 75 -7.307 -24.222 4.910 547 HA TYR 75 HA TYR 75 -5.090 -25.873 5.627 548 HB2 TYR 75 HB2 TYR 75 -8.079 -26.307 5.943 549 HB3 TYR 75 HB3 TYR 75 -6.949 -27.620 6.269 550 HD1 TYR 75 HD2 TYR 75 -4.833 -26.147 7.560 551 HD2 TYR 75 HD1 TYR 75 -9.012 -25.820 7.769 552 HE1 TYR 75 HE2 TYR 75 -4.623 -25.254 9.862 553 HE2 TYR 75 HE1 TYR 75 -8.870 -24.948 10.039 554 HH TYR 75 HH TYR 75 -7.240 -25.082 11.905 555 H ALA 76 H ALA 76 -7.186 -25.752 2.920 556 HA ALA 76 HA ALA 76 -6.434 -28.354 2.137 557 HB1 ALA 76 HB1 ALA 76 -7.732 -27.953 0.073 558 HB2 ALA 76 HB2 ALA 76 -7.914 -26.262 0.536 559 HB3 ALA 76 HB3 ALA 76 -8.646 -27.528 1.522 560 H ALA 77 H ALA 77 -5.660 -25.039 1.171 561 HA ALA 77 HA ALA 77 -3.299 -26.102 -0.195 562 HB1 ALA 77 HB1 ALA 77 -4.785 -23.576 -0.951 563 HB2 ALA 77 HB2 ALA 77 -4.831 -25.100 -1.850 564 HB3 ALA 77 HB3 ALA 77 -3.315 -24.204 -1.695 565 HA PRO 78 HA PRO 78 -1.839 -23.311 3.018 566 HB2 PRO 78 HB2 PRO 78 -0.038 -25.133 4.094 567 HB3 PRO 78 HB3 PRO 78 -1.684 -24.858 4.697 568 HG2 PRO 78 HG2 PRO 78 -0.691 -27.208 3.456 569 HG3 PRO 78 HG3 PRO 78 -2.348 -26.869 3.984 570 HD2 PRO 78 HD2 PRO 78 -1.196 -26.744 1.279 571 HD3 PRO 78 HD3 PRO 78 -2.887 -26.940 1.790 572 H THR 79 H THR 79 -0.939 -22.231 1.266 573 HA THR 79 HA THR 79 1.927 -22.497 1.035 574 HB THR 79 HB THR 79 1.576 -21.938 -1.484 575 HG1 THR 79 HG1 THR 79 -0.920 -23.027 -0.768 576 HG21 THR 79 HG21 THR 79 2.604 -24.049 -0.769 577 HG22 THR 79 HG22 THR 79 1.548 -24.274 -2.164 578 HG23 THR 79 HG23 THR 79 0.981 -24.744 -0.555 579 H LEU 80 H LEU 80 2.767 -20.474 0.954 580 HA LEU 80 HA LEU 80 1.010 -18.344 1.679 581 HB2 LEU 80 HB2 LEU 80 3.702 -18.906 1.936 582 HB3 LEU 80 HB3 LEU 80 3.654 -17.553 0.826 583 HG LEU 80 HG LEU 80 2.502 -17.618 3.613 584 HD11 LEU 80 HD11 LEU 80 4.134 -15.865 3.991 585 HD12 LEU 80 HD12 LEU 80 4.814 -16.184 2.385 586 HD13 LEU 80 HD13 LEU 80 4.865 -17.432 3.642 587 HD21 LEU 80 HD21 LEU 80 2.108 -15.211 3.211 588 HD22 LEU 80 HD22 LEU 80 1.065 -16.289 2.282 589 HD23 LEU 80 HD23 LEU 80 2.445 -15.513 1.499 590 H ALA 81 H ALA 81 2.400 -19.406 -1.327 591 HA ALA 81 HA ALA 81 1.979 -17.100 -2.870 592 HB1 ALA 81 HB1 ALA 81 3.314 -19.033 -3.627 593 HB2 ALA 81 HB2 ALA 81 2.082 -18.580 -4.804 594 HB3 ALA 81 HB3 ALA 81 1.834 -19.982 -3.764 595 H ALA 82 H ALA 82 -0.092 -19.901 -2.250 596 HA ALA 82 HA ALA 82 -2.216 -18.959 -3.853 597 HB1 ALA 82 HB1 ALA 82 -3.576 -20.661 -2.802 598 HB2 ALA 82 HB2 ALA 82 -2.333 -20.930 -1.576 599 HB3 ALA 82 HB3 ALA 82 -2.011 -21.327 -3.268 600 H TRP 83 H TRP 83 -1.364 -18.589 -0.478 601 HA TRP 83 HA TRP 83 -3.815 -17.373 0.284 602 HB2 TRP 83 HB2 TRP 83 -1.086 -17.170 1.547 603 HB3 TRP 83 HB3 TRP 83 -2.564 -16.553 2.268 604 HD1 TRP 83 HD1 TRP 83 -3.380 -19.795 0.689 605 HE1 TRP 83 HE1 TRP 83 -3.347 -21.675 2.382 606 HE3 TRP 83 HE3 TRP 83 -1.180 -17.286 4.460 607 HZ2 TRP 83 HZ2 TRP 83 -2.545 -22.031 5.061 608 HZ3 TRP 83 HZ3 TRP 83 -0.839 -18.453 6.639 609 HH2 TRP 83 HH2 TRP 83 -1.543 -20.796 6.901 610 H ASN 84 H ASN 84 -0.675 -16.057 -0.546 611 HA ASN 84 HA ASN 84 -1.147 -13.349 -0.612 612 HB2 ASN 84 HB2 ASN 84 1.051 -14.166 -1.048 613 HB3 ASN 84 HB3 ASN 84 0.527 -15.175 -2.368 614 HD21 ASN 84 HD21 ASN 84 2.237 -14.341 -3.577 615 HD22 ASN 84 HD22 ASN 84 2.168 -12.822 -4.341 616 H GLN 85 H GLN 85 -1.933 -15.716 -3.110 617 HA GLN 85 HA GLN 85 -3.290 -13.952 -4.845 618 HB2 GLN 85 HB2 GLN 85 -2.479 -16.147 -5.582 619 HB3 GLN 85 HB3 GLN 85 -3.592 -16.944 -4.485 620 HG2 GLN 85 HG2 GLN 85 -5.484 -16.019 -5.741 621 HG3 GLN 85 HG3 GLN 85 -4.357 -15.243 -6.851 622 HE21 GLN 85 HE21 GLN 85 -5.169 -16.371 -8.604 623 HE22 GLN 85 HE22 GLN 85 -4.849 -18.061 -8.823 624 H LEU 86 H LEU 86 -4.530 -16.219 -2.368 625 HA LEU 86 HA LEU 86 -7.271 -15.877 -2.560 626 HB2 LEU 86 HB2 LEU 86 -5.673 -16.305 -0.051 627 HB3 LEU 86 HB3 LEU 86 -7.401 -16.480 -0.169 628 HG LEU 86 HG LEU 86 -5.367 -18.209 -1.594 629 HD11 LEU 86 HD11 LEU 86 -7.162 -18.760 0.725 630 HD12 LEU 86 HD12 LEU 86 -5.415 -18.516 0.819 631 HD13 LEU 86 HD13 LEU 86 -6.071 -19.926 -0.037 632 HD21 LEU 86 HD21 LEU 86 -7.462 -18.096 -2.858 633 HD22 LEU 86 HD22 LEU 86 -8.352 -18.474 -1.367 634 HD23 LEU 86 HD23 LEU 86 -7.251 -19.661 -2.052 635 H MET 87 H MET 87 -4.973 -13.643 -1.249 636 HA MET 87 HA MET 87 -6.844 -12.314 0.538 637 HB2 MET 87 HB2 MET 87 -3.983 -11.721 -0.232 638 HB3 MET 87 HB3 MET 87 -4.894 -10.770 0.924 639 HG2 MET 87 HG2 MET 87 -5.054 -12.674 2.407 640 HG3 MET 87 HG3 MET 87 -4.279 -13.704 1.206 641 HE1 MET 87 HE1 MET 87 -3.866 -10.740 3.699 642 HE2 MET 87 HE2 MET 87 -3.340 -9.979 2.197 643 HE3 MET 87 HE3 MET 87 -2.178 -10.294 3.482 644 H LEU 88 H LEU 88 -4.897 -11.581 -2.285 645 HA LEU 88 HA LEU 88 -6.032 -9.076 -2.714 646 HB2 LEU 88 HB2 LEU 88 -3.864 -9.321 -3.391 647 HB3 LEU 88 HB3 LEU 88 -4.125 -10.939 -4.016 648 HG LEU 88 HG LEU 88 -5.448 -10.081 -5.638 649 HD11 LEU 88 HD11 LEU 88 -6.033 -7.809 -4.755 650 HD12 LEU 88 HD12 LEU 88 -5.199 -7.546 -6.288 651 HD13 LEU 88 HD13 LEU 88 -4.332 -7.338 -4.766 652 HD21 LEU 88 HD21 LEU 88 -3.227 -10.661 -6.195 653 HD22 LEU 88 HD22 LEU 88 -2.629 -9.086 -5.637 654 HD23 LEU 88 HD23 LEU 88 -3.602 -9.186 -7.104 655 H SER 89 H SER 89 -6.599 -12.314 -4.031 656 HA SER 89 HA SER 89 -8.185 -11.325 -6.117 657 HB2 SER 89 HB2 SER 89 -8.088 -14.141 -5.026 658 HB3 SER 89 HB3 SER 89 -8.757 -13.665 -6.590 659 HG SER 89 HG SER 89 -6.093 -13.540 -5.689 660 H ARG 90 H ARG 90 -8.880 -11.408 -2.886 661 HA ARG 90 HA ARG 90 -11.651 -12.096 -3.043 662 HB2 ARG 90 HB2 ARG 90 -9.741 -11.663 -1.001 663 HB3 ARG 90 HB3 ARG 90 -11.017 -10.477 -0.766 664 HG2 ARG 90 HG2 ARG 90 -11.462 -12.465 0.508 665 HG3 ARG 90 HG3 ARG 90 -12.672 -12.262 -0.764 666 HD2 ARG 90 HD2 ARG 90 -11.470 -13.937 -2.136 667 HD3 ARG 90 HD3 ARG 90 -10.291 -14.114 -0.834 668 HE ARG 90 HE ARG 90 -12.979 -14.572 0.044 669 HH11 ARG 90 HH11 ARG 90 -10.235 -16.258 -1.517 670 HH12 ARG 90 HH12 ARG 90 -10.751 -17.785 -0.926 671 HH21 ARG 90 HH21 ARG 90 -13.593 -16.694 0.770 672 HH22 ARG 90 HH22 ARG 90 -12.582 -18.014 0.368 673 H SER 91 H SER 91 -9.679 -9.292 -3.498 674 HA SER 91 HA SER 91 -11.825 -7.868 -4.727 675 HB2 SER 91 HB2 SER 91 -10.440 -6.614 -2.306 676 HB3 SER 91 HB3 SER 91 -11.591 -5.799 -3.364 677 HG SER 91 HG SER 91 -12.666 -8.030 -2.595 678 HA PRO 92 HA PRO 92 -7.542 -7.393 -6.277 679 HB2 PRO 92 HB2 PRO 92 -7.798 -8.686 -8.614 680 HB3 PRO 92 HB3 PRO 92 -7.603 -9.532 -7.068 681 HG2 PRO 92 HG2 PRO 92 -9.957 -9.389 -8.777 682 HG3 PRO 92 HG3 PRO 92 -9.615 -10.491 -7.436 683 HD2 PRO 92 HD2 PRO 92 -11.235 -8.075 -7.423 684 HD3 PRO 92 HD3 PRO 92 -11.054 -9.310 -6.160 685 H GLU 93 H GLU 93 -7.087 -5.393 -6.893 686 HA GLU 93 HA GLU 93 -7.372 -4.654 -9.612 687 HB2 GLU 93 HB2 GLU 93 -8.215 -2.707 -7.419 688 HB3 GLU 93 HB3 GLU 93 -8.134 -2.361 -9.125 689 HG2 GLU 93 HG2 GLU 93 -10.123 -3.659 -9.530 690 HG3 GLU 93 HG3 GLU 93 -10.125 -4.247 -7.865
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