NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
478911 | 2kna | 16478 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 22.841 13.351 -4.712 2 H2 GLY 1 2H GLY 1 21.406 12.575 -4.490 3 H3 GLY 1 3H GLY 1 22.687 11.770 -5.129 4 HA2 GLY 1 2HA GLY 1 22.187 11.303 -2.708 5 HA3 GLY 1 3HA GLY 1 23.858 11.680 -3.155 6 H SER 2 H SER 2 21.251 12.621 -1.125 7 HA SER 2 HA SER 2 22.175 15.356 -0.600 8 HB2 SER 2 2HB SER 2 20.468 15.218 1.236 9 HB3 SER 2 3HB SER 2 19.842 14.915 -0.388 10 HG SER 2 HG SER 2 20.351 13.024 1.678 11 H ALA 3 H ALA 3 22.881 16.063 1.505 12 HA ALA 3 HA ALA 3 24.624 14.110 2.959 13 HB1 ALA 3 1HB ALA 3 25.878 16.088 3.665 14 HB2 ALA 3 2HB ALA 3 25.740 16.033 1.899 15 HB3 ALA 3 3HB ALA 3 24.722 17.151 2.839 16 H MET 4 H MET 4 21.861 16.244 3.455 17 HA MET 4 HA MET 4 21.747 15.442 6.323 18 HB2 MET 4 2HB MET 4 22.393 17.948 5.680 19 HB3 MET 4 3HB MET 4 20.656 18.106 5.400 20 HG2 MET 4 2HG MET 4 21.164 18.790 7.662 21 HG3 MET 4 3HG MET 4 20.275 17.276 7.747 22 HE1 MET 4 3HE MET 4 20.897 15.616 9.473 23 HE2 MET 4 1HE MET 4 22.308 15.828 10.531 24 HE3 MET 4 2HE MET 4 21.113 17.140 10.375 25 H ALA 5 H ALA 5 19.606 15.328 7.237 26 HA ALA 5 HA ALA 5 17.802 13.924 5.471 27 HB1 ALA 5 1HB ALA 5 18.361 13.117 7.710 28 HB2 ALA 5 2HB ALA 5 17.643 14.570 8.444 29 HB3 ALA 5 3HB ALA 5 16.618 13.411 7.571 30 H ASP 6 H ASP 6 17.257 15.758 4.057 31 HA ASP 6 HA ASP 6 15.567 17.920 4.977 32 HB2 ASP 6 2HB ASP 6 16.057 16.765 2.207 33 HB3 ASP 6 3HB ASP 6 15.089 18.207 2.510 34 H ILE 7 H ILE 7 14.761 14.652 3.965 35 HA ILE 7 HA ILE 7 11.993 15.105 3.371 36 HB ILE 7 HB ILE 7 13.260 13.163 2.579 37 HG12 ILE 7 2HG1 ILE 7 11.625 11.382 2.885 38 HG13 ILE 7 3HG1 ILE 7 10.881 12.227 4.236 39 HG21 ILE 7 1HG2 ILE 7 14.600 12.659 4.611 40 HG22 ILE 7 2HG2 ILE 7 13.130 12.080 5.429 41 HG23 ILE 7 3HG2 ILE 7 13.753 11.238 4.001 42 HD11 ILE 7 3HD1 ILE 7 9.603 12.452 2.119 43 HD12 ILE 7 1HD1 ILE 7 10.132 14.031 2.714 44 HD13 ILE 7 2HD1 ILE 7 10.992 13.255 1.361 45 H GLY 8 H GLY 8 13.610 14.739 6.426 46 HA2 GLY 8 2HA GLY 8 11.290 15.498 7.968 47 HA3 GLY 8 3HA GLY 8 11.601 13.770 8.132 48 H SER 9 H SER 9 12.283 16.769 9.352 49 HA SER 9 HA SER 9 14.766 15.880 10.796 50 HB2 SER 9 2HB SER 9 15.086 17.736 9.188 51 HB3 SER 9 3HB SER 9 13.932 18.715 10.112 52 HG SER 9 HG SER 9 16.151 19.086 10.688 53 H GLU 10 H GLU 10 11.739 17.750 11.210 54 HA GLU 10 HA GLU 10 11.811 17.104 14.152 55 HB2 GLU 10 2HB GLU 10 10.593 19.514 12.759 56 HB3 GLU 10 3HB GLU 10 10.439 19.131 14.477 57 HG2 GLU 10 2HG GLU 10 12.934 19.235 14.699 58 HG3 GLU 10 3HG GLU 10 13.037 19.761 13.016 59 H PHE 11 H PHE 11 9.806 17.043 11.253 60 HA PHE 11 HA PHE 11 7.696 16.398 10.800 61 HB2 PHE 11 2HB PHE 11 9.121 14.288 11.815 62 HB3 PHE 11 3HB PHE 11 7.686 14.194 12.795 63 HD1 PHE 11 2HD PHE 11 5.381 14.606 11.135 64 HD2 PHE 11 1HD PHE 11 9.172 12.872 10.000 65 HE1 PHE 11 2HE PHE 11 4.276 13.379 9.304 66 HE2 PHE 11 1HE PHE 11 8.045 11.633 8.174 67 HZ PHE 11 HZ PHE 11 5.599 11.883 7.818 68 H GLU 12 H GLU 12 7.814 18.471 12.789 69 HA GLU 12 HA GLU 12 5.956 18.027 14.930 70 HB2 GLU 12 2HB GLU 12 7.828 19.749 14.716 71 HB3 GLU 12 3HB GLU 12 6.738 20.725 13.747 72 HG2 GLU 12 2HG GLU 12 6.220 19.752 16.600 73 HG3 GLU 12 3HG GLU 12 6.914 21.316 16.197 74 H LYS 13 H LYS 13 5.563 19.793 11.855 75 HA LYS 13 HA LYS 13 2.638 20.029 12.134 76 HB2 LYS 13 2HB LYS 13 4.168 21.775 11.148 77 HB3 LYS 13 3HB LYS 13 4.420 20.721 9.753 78 HG2 LYS 13 2HG LYS 13 2.094 20.870 9.120 79 HG3 LYS 13 3HG LYS 13 1.646 21.638 10.645 80 HD2 LYS 13 2HD LYS 13 3.448 22.850 8.505 81 HD3 LYS 13 3HD LYS 13 1.738 23.211 8.695 82 HE2 LYS 13 2HE LYS 13 3.886 23.780 10.791 83 HE3 LYS 13 3HE LYS 13 3.263 24.955 9.640 84 HZ1 LYS 13 3HZ LYS 13 1.064 24.706 10.634 85 HZ2 LYS 13 1HZ LYS 13 2.144 25.137 11.780 86 HZ3 LYS 13 2HZ LYS 13 1.614 23.596 11.706 87 H THR 14 H THR 14 1.151 19.202 10.550 88 HA THR 14 HA THR 14 1.874 16.522 9.445 89 HB THR 14 HB THR 14 -0.477 15.887 10.072 90 HG1 THR 14 1HG THR 14 -1.739 17.282 10.890 91 HG21 THR 14 3HG2 THR 14 1.469 15.303 11.532 92 HG22 THR 14 1HG2 THR 14 -0.040 15.540 12.437 93 HG23 THR 14 2HG2 THR 14 1.205 16.804 12.443 94 HA PRO 15 HA PRO 15 0.066 17.775 5.605 95 HB2 PRO 15 2HB PRO 15 -0.900 15.444 4.532 96 HB3 PRO 15 3HB PRO 15 0.844 15.786 4.736 97 HG2 PRO 15 2HG PRO 15 -0.967 14.206 6.590 98 HG3 PRO 15 3HG PRO 15 0.634 13.730 5.940 99 HD2 PRO 15 2HD PRO 15 0.384 14.814 8.407 100 HD3 PRO 15 3HD PRO 15 1.766 15.244 7.360 101 H SER 16 H SER 16 -2.030 16.257 7.960 102 HA SER 16 HA SER 16 -4.217 18.048 7.209 103 HB2 SER 16 2HB SER 16 -5.942 16.287 7.312 104 HB3 SER 16 3HB SER 16 -4.857 16.071 5.935 105 HG SER 16 HG SER 16 -3.824 14.411 7.003 106 H LEU 17 H LEU 17 -5.776 18.300 8.897 107 HA LEU 17 HA LEU 17 -5.443 17.004 11.470 108 HB2 LEU 17 2HB LEU 17 -3.690 18.936 11.386 109 HB3 LEU 17 3HB LEU 17 -5.068 20.030 11.361 110 HG LEU 17 HG LEU 17 -5.845 18.877 13.525 111 HD11 LEU 17 1HD1 LEU 17 -4.513 17.405 14.689 112 HD12 LEU 17 2HD1 LEU 17 -2.994 18.045 14.010 113 HD13 LEU 17 3HD1 LEU 17 -3.992 16.943 13.054 114 HD21 LEU 17 3HD2 LEU 17 -3.191 20.374 13.528 115 HD22 LEU 17 1HD2 LEU 17 -4.260 20.159 14.935 116 HD23 LEU 17 2HD2 LEU 17 -4.812 21.098 13.535 117 H THR 18 H THR 18 -7.470 16.644 12.157 118 HA THR 18 HA THR 18 -9.663 18.595 11.588 119 HB THR 18 HB THR 18 -9.957 15.608 11.093 120 HG1 THR 18 1HG THR 18 -9.505 17.686 9.212 121 HG21 THR 18 3HG2 THR 18 -11.928 16.339 9.751 122 HG22 THR 18 1HG2 THR 18 -11.660 18.013 10.279 123 HG23 THR 18 2HG2 THR 18 -12.102 16.755 11.453 124 H ARG 19 H ARG 19 -11.263 18.675 13.081 125 HA ARG 19 HA ARG 19 -10.712 17.775 15.753 126 HB2 ARG 19 2HB ARG 19 -12.622 19.052 16.393 127 HB3 ARG 19 3HB ARG 19 -11.780 19.926 15.118 128 HG2 ARG 19 2HG ARG 19 -13.512 18.836 13.490 129 HG3 ARG 19 3HG ARG 19 -14.420 18.415 14.943 130 HD2 ARG 19 2HD ARG 19 -13.583 21.202 14.051 131 HD3 ARG 19 3HD ARG 19 -15.207 20.516 13.928 132 HE ARG 19 HE ARG 19 -14.744 20.331 16.612 133 HH11 ARG 19 1HH1 ARG 19 -14.498 23.060 14.442 134 HH12 ARG 19 2HH1 ARG 19 -14.800 24.218 15.703 135 HH21 ARG 19 1HH2 ARG 19 -15.172 21.844 18.174 136 HH22 ARG 19 2HH2 ARG 19 -15.152 23.532 17.768 137 H ARG 20 H ARG 20 -12.339 16.101 13.321 138 HA ARG 20 HA ARG 20 -14.025 14.429 15.112 139 HB2 ARG 20 2HB ARG 20 -14.784 15.288 12.808 140 HB3 ARG 20 3HB ARG 20 -13.602 14.177 12.107 141 HG2 ARG 20 2HG ARG 20 -14.838 12.354 13.541 142 HG3 ARG 20 3HG ARG 20 -16.120 13.535 13.705 143 HD2 ARG 20 2HD ARG 20 -15.047 12.842 10.943 144 HD3 ARG 20 3HD ARG 20 -16.060 11.691 11.786 145 HE ARG 20 HE ARG 20 -17.915 13.122 11.723 146 HH11 ARG 20 1HH1 ARG 20 -15.301 14.660 9.987 147 HH12 ARG 20 2HH1 ARG 20 -16.382 15.571 8.971 148 HH21 ARG 20 1HH2 ARG 20 -19.229 14.194 10.364 149 HH22 ARG 20 2HH2 ARG 20 -18.577 15.227 9.133 150 H ILE 21 H ILE 21 -13.463 12.460 15.803 151 HA ILE 21 HA ILE 21 -10.912 11.157 15.154 152 HB ILE 21 HB ILE 21 -11.559 9.444 16.699 153 HG12 ILE 21 2HG1 ILE 21 -14.305 10.760 16.906 154 HG13 ILE 21 3HG1 ILE 21 -13.957 9.218 16.118 155 HG21 ILE 21 1HG2 ILE 21 -12.341 12.117 17.917 156 HG22 ILE 21 2HG2 ILE 21 -11.582 10.728 18.718 157 HG23 ILE 21 3HG2 ILE 21 -10.674 11.646 17.517 158 HD11 ILE 21 3HD1 ILE 21 -13.123 8.322 18.318 159 HD12 ILE 21 1HD1 ILE 21 -13.709 9.819 19.086 160 HD13 ILE 21 2HD1 ILE 21 -14.849 8.732 18.279 161 H ASP 22 H ASP 22 -11.321 8.531 14.845 162 HA ASP 22 HA ASP 22 -13.110 8.182 12.469 163 HB2 ASP 22 2HB ASP 22 -10.583 8.245 12.044 164 HB3 ASP 22 3HB ASP 22 -10.499 6.704 12.894 165 H ASP 23 H ASP 23 -14.514 6.507 12.554 166 HA ASP 23 HA ASP 23 -15.008 5.040 14.954 167 HB2 ASP 23 2HB ASP 23 -15.928 4.497 12.102 168 HB3 ASP 23 3HB ASP 23 -16.618 3.774 13.555 169 H THR 24 H THR 24 -12.718 4.366 12.428 170 HA THR 24 HA THR 24 -12.525 1.515 12.845 171 HB THR 24 HB THR 24 -10.330 3.293 11.764 172 HG1 THR 24 1HG THR 24 -12.220 3.667 10.680 173 HG21 THR 24 3HG2 THR 24 -9.457 1.107 12.101 174 HG22 THR 24 1HG2 THR 24 -9.981 1.116 10.410 175 HG23 THR 24 2HG2 THR 24 -10.980 0.318 11.632 176 H ILE 25 H ILE 25 -11.287 4.252 14.629 177 HA ILE 25 HA ILE 25 -9.157 2.971 16.087 178 HB ILE 25 HB ILE 25 -10.997 5.288 16.786 179 HG12 ILE 25 2HG1 ILE 25 -8.029 5.391 16.121 180 HG13 ILE 25 3HG1 ILE 25 -9.241 5.443 14.848 181 HG21 ILE 25 1HG2 ILE 25 -10.247 4.366 18.904 182 HG22 ILE 25 2HG2 ILE 25 -8.572 4.265 18.317 183 HG23 ILE 25 3HG2 ILE 25 -9.356 5.839 18.592 184 HD11 ILE 25 3HD1 ILE 25 -8.515 7.684 15.404 185 HD12 ILE 25 1HD1 ILE 25 -10.219 7.480 15.861 186 HD13 ILE 25 2HD1 ILE 25 -8.952 7.466 17.107 187 H PHE 26 H PHE 26 -12.647 3.309 16.806 188 HA PHE 26 HA PHE 26 -12.470 1.838 19.283 189 HB2 PHE 26 2HB PHE 26 -14.148 3.573 18.884 190 HB3 PHE 26 3HB PHE 26 -14.850 2.634 17.572 191 HD1 PHE 26 2HD PHE 26 -13.785 1.510 21.045 192 HD2 PHE 26 1HD PHE 26 -17.047 2.180 18.290 193 HE1 PHE 26 2HE PHE 26 -15.350 0.453 22.636 194 HE2 PHE 26 1HE PHE 26 -18.612 1.138 19.908 195 HZ PHE 26 HZ PHE 26 -17.767 0.263 22.079 196 H GLN 27 H GLN 27 -13.619 0.882 16.008 197 HA GLN 27 HA GLN 27 -14.533 -1.685 16.883 198 HB2 GLN 27 2HB GLN 27 -15.111 -2.120 14.677 199 HB3 GLN 27 3HB GLN 27 -15.241 -0.371 14.822 200 HG2 GLN 27 2HG GLN 27 -12.848 -0.293 13.831 201 HG3 GLN 27 3HG GLN 27 -13.049 -2.003 13.461 202 HE21 GLN 27 1HE2 GLN 27 -14.849 1.137 12.980 203 HE22 GLN 27 2HE2 GLN 27 -15.342 0.691 11.345 204 H ASN 28 H ASN 28 -11.290 -0.705 16.156 205 HA ASN 28 HA ASN 28 -10.403 -3.551 15.987 206 HB2 ASN 28 2HB ASN 28 -10.544 -2.301 13.786 207 HB3 ASN 28 3HB ASN 28 -9.215 -1.293 14.352 208 HD21 ASN 28 1HD2 ASN 28 -7.111 -2.182 14.186 209 HD22 ASN 28 2HD2 ASN 28 -6.849 -3.863 13.701 210 HA PRO 29 HA PRO 29 -8.475 -1.621 19.594 211 HB2 PRO 29 2HB PRO 29 -7.710 -3.867 20.991 212 HB3 PRO 29 3HB PRO 29 -9.397 -3.281 20.878 213 HG2 PRO 29 2HG PRO 29 -8.052 -5.411 19.183 214 HG3 PRO 29 3HG PRO 29 -9.622 -5.516 20.046 215 HD2 PRO 29 2HD PRO 29 -9.507 -4.909 17.417 216 HD3 PRO 29 3HD PRO 29 -10.674 -4.067 18.485 217 H MET 30 H MET 30 -6.770 -3.570 17.311 218 HA MET 30 HA MET 30 -4.075 -3.421 18.250 219 HB2 MET 30 2HB MET 30 -5.177 -3.263 15.415 220 HB3 MET 30 3HB MET 30 -3.483 -3.514 15.829 221 HG2 MET 30 2HG MET 30 -3.914 -5.644 16.814 222 HG3 MET 30 3HG MET 30 -5.656 -5.403 16.774 223 HE1 MET 30 3HE MET 30 -3.366 -4.491 13.544 224 HE2 MET 30 1HE MET 30 -2.463 -5.658 14.537 225 HE3 MET 30 2HE MET 30 -3.120 -6.138 12.953 226 H VAL 31 H VAL 31 -6.171 -0.901 16.994 227 HA VAL 31 HA VAL 31 -4.209 0.978 16.158 228 HB VAL 31 HB VAL 31 -7.013 1.424 17.254 229 HG11 VAL 31 1HG1 VAL 31 -5.006 3.386 16.092 230 HG12 VAL 31 2HG1 VAL 31 -6.746 3.659 15.997 231 HG13 VAL 31 3HG1 VAL 31 -5.960 3.532 17.578 232 HG21 VAL 31 3HG2 VAL 31 -5.869 1.425 14.422 233 HG22 VAL 31 1HG2 VAL 31 -6.916 0.177 15.114 234 HG23 VAL 31 2HG2 VAL 31 -7.548 1.800 14.853 235 H GLN 32 H GLN 32 -5.798 0.735 19.386 236 HA GLN 32 HA GLN 32 -4.366 2.895 20.546 237 HB2 GLN 32 2HB GLN 32 -5.535 0.432 21.910 238 HB3 GLN 32 3HB GLN 32 -5.008 1.913 22.721 239 HG2 GLN 32 2HG GLN 32 -6.674 3.198 21.284 240 HG3 GLN 32 3HG GLN 32 -7.305 1.643 20.733 241 HE21 GLN 32 1HE2 GLN 32 -7.137 3.897 23.474 242 HE22 GLN 32 2HE2 GLN 32 -8.285 2.996 24.459 243 H GLU 33 H GLU 33 -3.434 -0.527 20.339 244 HA GLU 33 HA GLU 33 -1.062 -0.392 21.947 245 HB2 GLU 33 2HB GLU 33 -2.152 -2.491 21.314 246 HB3 GLU 33 3HB GLU 33 -1.795 -2.198 19.621 247 HG2 GLU 33 2HG GLU 33 -0.268 -3.847 20.592 248 HG3 GLU 33 3HG GLU 33 0.595 -2.437 19.999 249 H ALA 34 H ALA 34 -1.576 0.337 18.465 250 HA ALA 34 HA ALA 34 1.198 0.739 17.840 251 HB1 ALA 34 1HB ALA 34 -1.255 1.933 16.493 252 HB2 ALA 34 2HB ALA 34 0.381 1.812 15.819 253 HB3 ALA 34 3HB ALA 34 -0.554 0.341 16.145 254 H ILE 35 H ILE 35 -1.346 3.184 18.706 255 HA ILE 35 HA ILE 35 0.461 5.412 18.849 256 HB ILE 35 HB ILE 35 -2.138 4.944 20.353 257 HG12 ILE 35 2HG1 ILE 35 -2.468 7.126 18.649 258 HG13 ILE 35 3HG1 ILE 35 -1.381 6.129 17.702 259 HG21 ILE 35 1HG2 ILE 35 -0.440 7.472 20.268 260 HG22 ILE 35 2HG2 ILE 35 -2.109 7.380 20.863 261 HG23 ILE 35 3HG2 ILE 35 -0.847 6.509 21.709 262 HD11 ILE 35 3HD1 ILE 35 -3.800 5.681 17.239 263 HD12 ILE 35 1HD1 ILE 35 -2.952 4.266 17.847 264 HD13 ILE 35 2HD1 ILE 35 -4.015 5.177 18.929 265 H ARG 36 H ARG 36 -0.376 3.027 21.357 266 HA ARG 36 HA ARG 36 1.135 4.115 23.494 267 HB2 ARG 36 2HB ARG 36 -0.466 2.504 23.969 268 HB3 ARG 36 3HB ARG 36 0.143 1.347 22.808 269 HG2 ARG 36 2HG ARG 36 1.853 2.112 25.182 270 HG3 ARG 36 3HG ARG 36 0.519 0.979 25.379 271 HD2 ARG 36 2HD ARG 36 1.474 -0.690 24.188 272 HD3 ARG 36 3HD ARG 36 2.277 0.389 23.044 273 HE ARG 36 HE ARG 36 3.552 0.706 25.557 274 HH11 ARG 36 1HH1 ARG 36 3.232 -1.827 23.131 275 HH12 ARG 36 2HH1 ARG 36 4.863 -2.390 23.403 276 HH21 ARG 36 1HH2 ARG 36 5.578 -0.119 25.893 277 HH22 ARG 36 2HH2 ARG 36 6.136 -1.471 24.954 278 H MET 37 H MET 37 2.437 2.412 20.687 279 HA MET 37 HA MET 37 5.103 2.149 21.923 280 HB2 MET 37 2HB MET 37 4.341 1.930 18.987 281 HB3 MET 37 3HB MET 37 5.891 1.522 19.730 282 HG2 MET 37 2HG MET 37 4.340 -0.044 21.252 283 HG3 MET 37 3HG MET 37 3.302 0.042 19.831 284 HE1 MET 37 3HE MET 37 4.626 -0.182 17.324 285 HE2 MET 37 1HE MET 37 6.258 0.350 17.779 286 HE3 MET 37 2HE MET 37 6.024 -1.266 17.096 287 H GLY 38 H GLY 38 3.437 4.837 20.685 288 HA2 GLY 38 2HA GLY 38 4.539 6.980 21.052 289 HA3 GLY 38 3HA GLY 38 5.980 6.369 20.245 290 H PHE 39 H PHE 39 3.438 5.236 18.398 291 HA PHE 39 HA PHE 39 3.763 7.205 16.278 292 HB2 PHE 39 2HB PHE 39 1.819 4.916 16.710 293 HB3 PHE 39 3HB PHE 39 1.823 5.927 15.273 294 HD1 PHE 39 2HD PHE 39 3.981 6.088 13.866 295 HD2 PHE 39 1HD PHE 39 3.188 2.936 16.701 296 HE1 PHE 39 2HE PHE 39 5.575 4.601 12.677 297 HE2 PHE 39 1HE PHE 39 4.763 1.458 15.505 298 HZ PHE 39 HZ PHE 39 5.948 2.273 13.492 299 H SER 40 H SER 40 1.967 8.387 15.283 300 HA SER 40 HA SER 40 0.319 9.885 17.227 301 HB2 SER 40 2HB SER 40 0.634 10.195 14.213 302 HB3 SER 40 3HB SER 40 -0.130 11.354 15.313 303 HG SER 40 HG SER 40 1.917 11.616 16.341 304 H PHE 41 H PHE 41 -1.934 9.896 17.288 305 HA PHE 41 HA PHE 41 -3.462 7.689 16.453 306 HB2 PHE 41 2HB PHE 41 -4.054 10.401 17.525 307 HB3 PHE 41 3HB PHE 41 -5.346 9.703 16.577 308 HD1 PHE 41 2HD PHE 41 -6.243 7.391 17.126 309 HD2 PHE 41 1HD PHE 41 -3.711 9.634 19.806 310 HE1 PHE 41 2HE PHE 41 -6.996 5.982 19.027 311 HE2 PHE 41 1HE PHE 41 -4.478 8.224 21.702 312 HZ PHE 41 HZ PHE 41 -6.117 6.393 21.314 313 H LYS 42 H LYS 42 -3.160 10.790 14.780 314 HA LYS 42 HA LYS 42 -4.860 10.348 12.574 315 HB2 LYS 42 2HB LYS 42 -3.953 12.499 13.126 316 HB3 LYS 42 3HB LYS 42 -2.308 11.978 12.783 317 HG2 LYS 42 2HG LYS 42 -4.417 11.797 10.604 318 HG3 LYS 42 3HG LYS 42 -3.791 13.380 11.033 319 HD2 LYS 42 2HD LYS 42 -2.003 11.064 10.179 320 HD3 LYS 42 3HD LYS 42 -2.623 12.294 9.083 321 HE2 LYS 42 2HE LYS 42 -1.368 14.012 10.026 322 HE3 LYS 42 3HE LYS 42 -1.187 13.196 11.579 323 HZ1 LYS 42 3HZ LYS 42 0.324 11.622 10.592 324 HZ2 LYS 42 1HZ LYS 42 0.892 13.112 10.328 325 HZ3 LYS 42 2HZ LYS 42 0.175 12.285 9.102 326 H ASP 43 H ASP 43 -1.422 9.416 12.865 327 HA ASP 43 HA ASP 43 -1.148 8.348 10.221 328 HB2 ASP 43 2HB ASP 43 0.354 7.790 12.808 329 HB3 ASP 43 3HB ASP 43 0.724 6.976 11.296 330 H ILE 44 H ILE 44 -2.137 6.763 13.288 331 HA ILE 44 HA ILE 44 -2.313 4.176 12.045 332 HB ILE 44 HB ILE 44 -3.956 4.793 14.490 333 HG12 ILE 44 2HG1 ILE 44 -1.944 5.740 15.265 334 HG13 ILE 44 3HG1 ILE 44 -2.004 4.109 15.883 335 HG21 ILE 44 1HG2 ILE 44 -4.181 2.589 13.478 336 HG22 ILE 44 2HG2 ILE 44 -2.428 2.373 13.391 337 HG23 ILE 44 3HG2 ILE 44 -3.226 2.412 14.961 338 HD11 ILE 44 3HD1 ILE 44 -0.522 3.477 13.868 339 HD12 ILE 44 1HD1 ILE 44 -0.156 5.209 13.776 340 HD13 ILE 44 2HD1 ILE 44 0.192 4.282 15.254 341 H LYS 45 H LYS 45 -4.918 6.561 12.842 342 HA LYS 45 HA LYS 45 -6.997 4.981 11.618 343 HB2 LYS 45 2HB LYS 45 -8.397 6.936 11.562 344 HB3 LYS 45 3HB LYS 45 -7.582 6.766 13.107 345 HG2 LYS 45 2HG LYS 45 -7.437 9.036 12.791 346 HG3 LYS 45 3HG LYS 45 -5.892 8.479 12.201 347 HD2 LYS 45 2HD LYS 45 -6.463 10.027 10.574 348 HD3 LYS 45 3HD LYS 45 -7.061 8.553 9.821 349 HE2 LYS 45 2HE LYS 45 -9.329 9.061 10.821 350 HE3 LYS 45 3HE LYS 45 -8.690 10.647 11.289 351 HZ1 LYS 45 3HZ LYS 45 -8.801 9.543 8.523 352 HZ2 LYS 45 1HZ LYS 45 -8.218 11.027 8.908 353 HZ3 LYS 45 2HZ LYS 45 -9.808 10.693 9.113 354 H LYS 46 H LYS 46 -4.743 7.306 10.169 355 HA LYS 46 HA LYS 46 -5.885 7.266 7.557 356 HB2 LYS 46 2HB LYS 46 -4.303 9.005 8.286 357 HB3 LYS 46 3HB LYS 46 -3.011 7.806 8.418 358 HG2 LYS 46 2HG LYS 46 -2.714 9.050 6.381 359 HG3 LYS 46 3HG LYS 46 -3.135 7.399 5.976 360 HD2 LYS 46 2HD LYS 46 -5.628 8.781 6.061 361 HD3 LYS 46 3HD LYS 46 -4.520 9.925 5.333 362 HE2 LYS 46 2HE LYS 46 -4.880 7.036 4.415 363 HE3 LYS 46 3HE LYS 46 -5.769 8.402 3.734 364 HZ1 LYS 46 3HZ LYS 46 -3.650 9.375 3.043 365 HZ2 LYS 46 1HZ LYS 46 -3.825 7.892 2.391 366 HZ3 LYS 46 2HZ LYS 46 -2.812 8.110 3.652 367 H ILE 47 H ILE 47 -3.157 5.294 8.853 368 HA ILE 47 HA ILE 47 -2.936 3.844 6.391 369 HB ILE 47 HB ILE 47 -1.199 4.082 8.287 370 HG12 ILE 47 2HG1 ILE 47 -1.570 1.453 6.805 371 HG13 ILE 47 3HG1 ILE 47 -0.962 2.955 6.103 372 HG21 ILE 47 1HG2 ILE 47 -2.508 3.012 10.109 373 HG22 ILE 47 2HG2 ILE 47 -2.480 1.469 9.229 374 HG23 ILE 47 3HG2 ILE 47 -0.985 2.187 9.822 375 HD11 ILE 47 3HD1 ILE 47 0.949 1.699 6.565 376 HD12 ILE 47 1HD1 ILE 47 0.889 2.922 7.837 377 HD13 ILE 47 2HD1 ILE 47 0.401 1.242 8.194 378 H MET 48 H MET 48 -4.826 3.164 9.324 379 HA MET 48 HA MET 48 -5.882 0.630 8.519 380 HB2 MET 48 2HB MET 48 -6.901 2.832 10.343 381 HB3 MET 48 3HB MET 48 -7.858 1.393 9.998 382 HG2 MET 48 2HG MET 48 -5.022 1.204 11.030 383 HG3 MET 48 3HG MET 48 -6.425 1.320 12.092 384 HE1 MET 48 3HE MET 48 -5.342 -0.890 13.202 385 HE2 MET 48 1HE MET 48 -5.129 -2.424 12.322 386 HE3 MET 48 2HE MET 48 -4.131 -1.013 11.909 387 H GLU 49 H GLU 49 -7.462 3.898 8.123 388 HA GLU 49 HA GLU 49 -9.624 2.836 6.634 389 HB2 GLU 49 2HB GLU 49 -10.284 5.014 6.106 390 HB3 GLU 49 3HB GLU 49 -9.602 5.073 7.728 391 HG2 GLU 49 2HG GLU 49 -7.489 6.001 6.742 392 HG3 GLU 49 3HG GLU 49 -8.250 6.022 5.159 393 H GLU 50 H GLU 50 -6.486 4.049 5.421 394 HA GLU 50 HA GLU 50 -7.128 3.731 2.642 395 HB2 GLU 50 2HB GLU 50 -5.318 5.115 3.706 396 HB3 GLU 50 3HB GLU 50 -4.351 3.666 3.905 397 HG2 GLU 50 2HG GLU 50 -5.499 4.514 1.202 398 HG3 GLU 50 3HG GLU 50 -4.077 5.303 1.858 399 H LYS 51 H LYS 51 -5.426 1.502 4.920 400 HA LYS 51 HA LYS 51 -5.003 -0.617 3.080 401 HB2 LYS 51 2HB LYS 51 -3.921 -0.496 5.283 402 HB3 LYS 51 3HB LYS 51 -5.474 -0.719 6.094 403 HG2 LYS 51 2HG LYS 51 -4.171 -2.776 6.106 404 HG3 LYS 51 3HG LYS 51 -5.652 -3.001 5.193 405 HD2 LYS 51 2HD LYS 51 -4.466 -2.855 3.079 406 HD3 LYS 51 3HD LYS 51 -2.960 -2.390 3.878 407 HE2 LYS 51 2HE LYS 51 -4.377 -5.019 4.483 408 HE3 LYS 51 3HE LYS 51 -3.288 -4.857 3.101 409 HZ1 LYS 51 3HZ LYS 51 -1.513 -4.209 4.612 410 HZ2 LYS 51 1HZ LYS 51 -2.102 -5.664 5.052 411 HZ3 LYS 51 2HZ LYS 51 -2.495 -4.328 5.914 412 H ILE 52 H ILE 52 -7.794 -0.096 5.245 413 HA ILE 52 HA ILE 52 -9.274 -2.406 4.385 414 HB ILE 52 HB ILE 52 -10.300 0.210 5.537 415 HG12 ILE 52 2HG1 ILE 52 -9.920 -2.391 7.080 416 HG13 ILE 52 3HG1 ILE 52 -8.591 -1.265 6.922 417 HG21 ILE 52 1HG2 ILE 52 -11.634 -2.536 5.326 418 HG22 ILE 52 2HG2 ILE 52 -12.282 -1.168 6.250 419 HG23 ILE 52 3HG2 ILE 52 -12.149 -1.051 4.500 420 HD11 ILE 52 3HD1 ILE 52 -9.597 -0.693 8.951 421 HD12 ILE 52 1HD1 ILE 52 -10.144 0.559 7.837 422 HD13 ILE 52 2HD1 ILE 52 -11.245 -0.767 8.292 423 H GLN 53 H GLN 53 -9.376 1.005 3.221 424 HA GLN 53 HA GLN 53 -11.407 0.686 1.278 425 HB2 GLN 53 2HB GLN 53 -10.581 2.820 2.128 426 HB3 GLN 53 3HB GLN 53 -9.013 2.564 1.351 427 HG2 GLN 53 2HG GLN 53 -10.068 2.722 -0.869 428 HG3 GLN 53 3HG GLN 53 -11.666 2.809 -0.117 429 HE21 GLN 53 1HE2 GLN 53 -12.389 4.942 -0.475 430 HE22 GLN 53 2HE2 GLN 53 -11.390 6.346 -0.113 431 H ILE 54 H ILE 54 -7.877 0.234 0.910 432 HA ILE 54 HA ILE 54 -8.108 -0.435 -1.939 433 HB ILE 54 HB ILE 54 -5.763 -0.428 -0.012 434 HG12 ILE 54 2HG1 ILE 54 -6.743 1.823 -0.484 435 HG13 ILE 54 3HG1 ILE 54 -5.089 1.633 -1.018 436 HG21 ILE 54 1HG2 ILE 54 -5.179 -1.983 -1.763 437 HG22 ILE 54 2HG2 ILE 54 -5.771 -0.883 -3.024 438 HG23 ILE 54 3HG2 ILE 54 -4.328 -0.469 -2.072 439 HD11 ILE 54 3HD1 ILE 54 -5.801 1.475 -3.355 440 HD12 ILE 54 1HD1 ILE 54 -7.517 1.504 -2.862 441 HD13 ILE 54 2HD1 ILE 54 -6.484 2.923 -2.597 442 H SER 55 H SER 55 -7.155 -2.329 0.972 443 HA SER 55 HA SER 55 -6.906 -4.798 -0.597 444 HB2 SER 55 2HB SER 55 -5.394 -4.069 1.295 445 HB3 SER 55 3HB SER 55 -6.713 -4.445 2.418 446 HG SER 55 HG SER 55 -6.637 -6.614 1.659 447 H GLY 56 H GLY 56 -9.277 -3.445 1.665 448 HA2 GLY 56 2HA GLY 56 -11.583 -4.103 1.513 449 HA3 GLY 56 3HA GLY 56 -11.102 -5.769 1.225 450 H SER 57 H SER 57 -9.062 -5.108 3.649 451 HA SER 57 HA SER 57 -10.930 -5.249 5.939 452 HB2 SER 57 2HB SER 57 -10.014 -7.400 6.726 453 HB3 SER 57 3HB SER 57 -10.842 -7.553 5.177 454 HG SER 57 HG SER 57 -8.052 -7.607 5.708 455 H ASN 58 H ASN 58 -9.750 -5.505 8.038 456 HA ASN 58 HA ASN 58 -7.668 -3.534 8.365 457 HB2 ASN 58 2HB ASN 58 -8.812 -5.637 10.273 458 HB3 ASN 58 3HB ASN 58 -7.749 -4.327 10.757 459 HD21 ASN 58 1HD2 ASN 58 -8.614 -2.227 11.083 460 HD22 ASN 58 2HD2 ASN 58 -10.342 -1.956 10.887 461 H TYR 59 H TYR 59 -5.697 -4.024 9.697 462 HA TYR 59 HA TYR 59 -3.888 -5.889 8.477 463 HB2 TYR 59 2HB TYR 59 -3.819 -4.144 10.963 464 HB3 TYR 59 3HB TYR 59 -2.510 -5.255 10.595 465 HD1 TYR 59 2HD TYR 59 -1.095 -5.015 8.653 466 HD2 TYR 59 1HD TYR 59 -4.151 -2.102 9.523 467 HE1 TYR 59 2HE TYR 59 -0.075 -3.452 7.015 468 HE2 TYR 59 1HE TYR 59 -3.133 -0.546 7.857 469 HH TYR 59 HH TYR 59 -0.315 -1.530 5.869 470 H LYS 60 H LYS 60 -2.942 -7.734 9.244 471 HA LYS 60 HA LYS 60 -4.585 -9.638 10.712 472 HB2 LYS 60 2HB LYS 60 -1.779 -9.732 9.533 473 HB3 LYS 60 3HB LYS 60 -2.470 -11.085 10.428 474 HG2 LYS 60 2HG LYS 60 -4.317 -11.307 8.886 475 HG3 LYS 60 3HG LYS 60 -3.818 -9.878 7.974 476 HD2 LYS 60 2HD LYS 60 -2.059 -12.347 8.323 477 HD3 LYS 60 3HD LYS 60 -3.180 -12.171 6.979 478 HE2 LYS 60 2HE LYS 60 -1.050 -10.083 7.584 479 HE3 LYS 60 3HE LYS 60 -0.699 -11.501 6.604 480 HZ1 LYS 60 3HZ LYS 60 -1.386 -9.523 5.287 481 HZ2 LYS 60 1HZ LYS 60 -2.893 -9.613 5.949 482 HZ3 LYS 60 2HZ LYS 60 -2.325 -10.839 5.012 483 H SER 61 H SER 61 -1.410 -8.210 11.434 484 HA SER 61 HA SER 61 -1.830 -8.479 14.353 485 HB2 SER 61 2HB SER 61 0.868 -9.333 13.797 486 HB3 SER 61 3HB SER 61 -0.392 -10.156 14.704 487 HG SER 61 HG SER 61 -1.003 -11.244 12.884 488 H LEU 62 H LEU 62 -0.068 -7.404 15.597 489 HA LEU 62 HA LEU 62 0.357 -4.751 14.683 490 HB2 LEU 62 2HB LEU 62 1.717 -6.327 16.912 491 HB3 LEU 62 3HB LEU 62 2.042 -4.640 16.586 492 HG LEU 62 HG LEU 62 0.596 -4.726 18.423 493 HD11 LEU 62 1HD1 LEU 62 -1.292 -3.373 17.720 494 HD12 LEU 62 2HD1 LEU 62 -1.120 -3.906 16.045 495 HD13 LEU 62 3HD1 LEU 62 0.147 -2.910 16.800 496 HD21 LEU 62 3HD2 LEU 62 -0.417 -6.966 18.043 497 HD22 LEU 62 1HD2 LEU 62 -1.502 -6.237 16.827 498 HD23 LEU 62 2HD2 LEU 62 -1.579 -5.720 18.519 499 H GLU 63 H GLU 63 2.512 -7.551 14.447 500 HA GLU 63 HA GLU 63 4.910 -6.388 13.589 501 HB2 GLU 63 2HB GLU 63 3.486 -8.904 12.628 502 HB3 GLU 63 3HB GLU 63 5.122 -8.487 12.127 503 HG2 GLU 63 2HG GLU 63 4.289 -8.874 15.034 504 HG3 GLU 63 3HG GLU 63 4.970 -10.136 14.015 505 H VAL 64 H VAL 64 2.146 -7.213 11.472 506 HA VAL 64 HA VAL 64 3.357 -6.073 9.084 507 HB VAL 64 HB VAL 64 0.395 -6.620 9.501 508 HG11 VAL 64 1HG1 VAL 64 2.168 -6.711 7.013 509 HG12 VAL 64 2HG1 VAL 64 0.414 -6.986 7.066 510 HG13 VAL 64 3HG1 VAL 64 1.073 -5.385 7.418 511 HG21 VAL 64 3HG2 VAL 64 2.573 -8.582 8.670 512 HG22 VAL 64 1HG2 VAL 64 1.523 -8.700 10.102 513 HG23 VAL 64 2HG2 VAL 64 0.828 -8.865 8.490 514 H LEU 65 H LEU 65 0.972 -4.934 11.468 515 HA LEU 65 HA LEU 65 0.221 -2.523 10.217 516 HB2 LEU 65 2HB LEU 65 -0.569 -3.823 12.468 517 HB3 LEU 65 3HB LEU 65 0.444 -2.605 13.212 518 HG LEU 65 HG LEU 65 -2.125 -2.298 11.642 519 HD11 LEU 65 1HD1 LEU 65 -1.131 -1.464 14.390 520 HD12 LEU 65 2HD1 LEU 65 -2.505 -2.515 13.952 521 HD13 LEU 65 3HD1 LEU 65 -2.602 -0.767 13.674 522 HD21 LEU 65 3HD2 LEU 65 -1.904 0.167 11.710 523 HD22 LEU 65 1HD2 LEU 65 -0.763 -0.585 10.608 524 HD23 LEU 65 2HD2 LEU 65 -0.208 -0.040 12.205 525 H VAL 66 H VAL 66 2.762 -2.976 12.729 526 HA VAL 66 HA VAL 66 3.650 -0.240 12.625 527 HB VAL 66 HB VAL 66 5.370 -0.773 14.130 528 HG11 VAL 66 1HG1 VAL 66 2.816 -2.295 14.784 529 HG12 VAL 66 2HG1 VAL 66 4.064 -1.891 15.945 530 HG13 VAL 66 3HG1 VAL 66 3.183 -0.596 15.109 531 HG21 VAL 66 3HG2 VAL 66 6.374 -2.773 13.280 532 HG22 VAL 66 1HG2 VAL 66 5.825 -3.093 14.924 533 HG23 VAL 66 2HG2 VAL 66 4.898 -3.712 13.545 534 H ALA 67 H ALA 67 4.822 -3.127 10.933 535 HA ALA 67 HA ALA 67 7.157 -1.943 9.770 536 HB1 ALA 67 1HB ALA 67 6.926 -3.762 8.105 537 HB2 ALA 67 2HB ALA 67 6.745 -4.359 9.764 538 HB3 ALA 67 3HB ALA 67 5.310 -4.141 8.737 539 H ASP 68 H ASP 68 3.778 -2.197 8.511 540 HA ASP 68 HA ASP 68 4.285 -0.584 6.180 541 HB2 ASP 68 2HB ASP 68 1.759 -1.433 7.618 542 HB3 ASP 68 3HB ASP 68 1.739 -0.312 6.262 543 H LEU 69 H LEU 69 3.207 0.335 9.478 544 HA LEU 69 HA LEU 69 2.758 3.106 8.986 545 HB2 LEU 69 2HB LEU 69 3.699 1.572 11.413 546 HB3 LEU 69 3HB LEU 69 3.598 3.320 11.446 547 HG LEU 69 HG LEU 69 1.190 1.636 10.700 548 HD11 LEU 69 1HD1 LEU 69 2.005 2.683 13.450 549 HD12 LEU 69 2HD1 LEU 69 1.989 0.977 12.956 550 HD13 LEU 69 3HD1 LEU 69 0.485 1.857 13.032 551 HD21 LEU 69 3HD2 LEU 69 1.073 4.052 10.119 552 HD22 LEU 69 1HD2 LEU 69 1.509 4.474 11.788 553 HD23 LEU 69 2HD2 LEU 69 -0.029 3.663 11.443 554 H VAL 70 H VAL 70 5.866 1.624 10.136 555 HA VAL 70 HA VAL 70 7.266 4.113 9.884 556 HB VAL 70 HB VAL 70 9.362 2.968 10.003 557 HG11 VAL 70 1HG1 VAL 70 7.417 1.697 11.946 558 HG12 VAL 70 2HG1 VAL 70 9.135 2.040 12.204 559 HG13 VAL 70 3HG1 VAL 70 7.987 3.380 12.053 560 HG21 VAL 70 3HG2 VAL 70 8.997 0.937 8.670 561 HG22 VAL 70 1HG2 VAL 70 9.553 0.536 10.297 562 HG23 VAL 70 2HG2 VAL 70 7.844 0.340 9.883 563 H ASN 71 H ASN 71 6.835 1.498 7.494 564 HA ASN 71 HA ASN 71 8.433 2.653 5.433 565 HB2 ASN 71 2HB ASN 71 7.669 0.360 5.316 566 HB3 ASN 71 3HB ASN 71 5.975 0.859 5.358 567 HD21 ASN 71 1HD2 ASN 71 8.847 1.895 3.330 568 HD22 ASN 71 2HD2 ASN 71 7.962 1.663 1.849 569 H ALA 72 H ALA 72 4.882 3.070 6.010 570 HA ALA 72 HA ALA 72 4.429 4.814 3.852 571 HB1 ALA 72 1HB ALA 72 2.957 4.598 6.512 572 HB2 ALA 72 2HB ALA 72 2.336 5.375 5.039 573 HB3 ALA 72 3HB ALA 72 2.653 3.631 5.050 574 H GLN 73 H GLN 73 5.230 5.705 7.264 575 HA GLN 73 HA GLN 73 5.122 8.535 6.661 576 HB2 GLN 73 2HB GLN 73 5.784 8.953 8.886 577 HB3 GLN 73 3HB GLN 73 4.662 7.613 8.865 578 HG2 GLN 73 2HG GLN 73 6.166 6.857 10.406 579 HG3 GLN 73 3HG GLN 73 6.781 6.088 8.957 580 HE21 GLN 73 1HE2 GLN 73 8.615 6.097 10.867 581 HE22 GLN 73 2HE2 GLN 73 9.739 7.437 10.672 582 H LYS 74 H LYS 74 7.794 6.211 6.554 583 HA LYS 74 HA LYS 74 9.909 8.161 6.083 584 HB2 LYS 74 2HB LYS 74 9.655 5.176 5.560 585 HB3 LYS 74 3HB LYS 74 11.087 6.097 5.108 586 HG2 LYS 74 2HG LYS 74 11.554 6.714 7.387 587 HG3 LYS 74 3HG LYS 74 10.032 6.018 7.961 588 HD2 LYS 74 2HD LYS 74 10.777 3.768 7.151 589 HD3 LYS 74 3HD LYS 74 12.331 4.456 6.681 590 HE2 LYS 74 2HE LYS 74 11.191 4.480 9.516 591 HE3 LYS 74 3HE LYS 74 12.291 3.244 8.898 592 HZ1 LYS 74 3HZ LYS 74 13.952 4.986 8.520 593 HZ2 LYS 74 1HZ LYS 74 13.516 4.946 10.091 594 HZ3 LYS 74 2HZ LYS 74 12.952 6.132 9.123 595 H ASP 75 H ASP 75 8.252 5.942 3.825 596 HA ASP 75 HA ASP 75 8.723 7.832 1.581 597 HB2 ASP 75 2HB ASP 75 9.720 6.163 0.197 598 HB3 ASP 75 3HB ASP 75 10.678 6.441 1.634 599 H SER 76 H SER 76 6.620 8.328 1.384 600 HA SER 76 HA SER 76 5.092 6.493 -0.307 601 HB2 SER 76 2HB SER 76 4.269 6.060 2.037 602 HB3 SER 76 3HB SER 76 3.751 7.758 2.116 603 HG SER 76 HG SER 76 2.062 6.328 1.449 604 H MET 77 H MET 77 3.243 7.651 -1.290 605 HA MET 77 HA MET 77 3.456 10.618 -1.512 606 HB2 MET 77 2HB MET 77 3.549 8.618 -3.807 607 HB3 MET 77 3HB MET 77 3.092 10.303 -4.035 608 HG2 MET 77 2HG MET 77 5.749 9.502 -2.799 609 HG3 MET 77 3HG MET 77 5.501 9.673 -4.529 610 HE1 MET 77 3HE MET 77 6.059 11.711 -1.138 611 HE2 MET 77 1HE MET 77 7.406 11.159 -2.164 612 HE3 MET 77 2HE MET 77 7.052 12.894 -2.006 613 H GLN 78 H GLN 78 1.500 11.621 -1.915 614 HA GLN 78 HA GLN 78 -0.917 10.062 -2.525 615 HB2 GLN 78 2HB GLN 78 -2.169 10.826 -0.591 616 HB3 GLN 78 3HB GLN 78 -0.775 9.878 -0.093 617 HG2 GLN 78 2HG GLN 78 0.450 12.032 0.415 618 HG3 GLN 78 3HG GLN 78 -1.032 12.917 0.039 619 HE21 GLN 78 1HE2 GLN 78 0.689 11.214 2.534 620 HE22 GLN 78 2HE2 GLN 78 -0.637 11.228 3.687 621 H ASP 79 H ASP 79 -2.829 11.461 -2.831 622 HA ASP 79 HA ASP 79 -2.181 14.167 -3.933 623 HB2 ASP 79 2HB ASP 79 -3.554 11.864 -5.371 624 HB3 ASP 79 3HB ASP 79 -3.538 13.533 -5.934 625 H GLU 80 H GLU 80 -3.273 15.233 -2.335 626 HA GLU 80 HA GLU 80 -6.235 14.818 -2.093 627 HB2 GLU 80 2HB GLU 80 -4.202 15.491 0.062 628 HB3 GLU 80 3HB GLU 80 -5.945 15.568 0.296 629 HG2 GLU 80 2HG GLU 80 -4.350 13.066 -0.388 630 HG3 GLU 80 3HG GLU 80 -4.982 13.501 1.194 631 H SER 81 H SER 81 -5.567 16.397 -4.049 632 HA SER 81 HA SER 81 -5.286 19.203 -3.431 633 HB2 SER 81 2HB SER 81 -4.763 18.213 -5.633 634 HB3 SER 81 3HB SER 81 -6.486 17.894 -5.903 635 HG SER 81 HG SER 81 -5.779 19.875 -6.855 636 H SER 82 H SER 82 -8.214 17.427 -4.532 637 HA SER 82 HA SER 82 -10.001 19.580 -3.603 638 HB2 SER 82 2HB SER 82 -10.589 16.968 -5.040 639 HB3 SER 82 3HB SER 82 -11.767 18.246 -4.675 640 HG SER 82 HG SER 82 -10.916 18.433 -6.803 641 H GLN 83 H GLN 83 -9.674 19.423 -1.339 642 HA GLN 83 HA GLN 83 -10.754 17.009 0.052 643 HB2 GLN 83 2HB GLN 83 -8.463 17.995 0.602 644 HB3 GLN 83 3HB GLN 83 -9.316 19.392 1.267 645 HG2 GLN 83 2HG GLN 83 -10.556 17.757 2.807 646 HG3 GLN 83 3HG GLN 83 -9.496 16.486 2.191 647 HE21 GLN 83 1HE2 GLN 83 -9.680 19.406 4.224 648 HE22 GLN 83 2HE2 GLN 83 -8.083 19.182 4.924 649 H THR 84 H THR 84 -12.570 17.077 1.317 650 HA THR 84 HA THR 84 -14.314 19.470 1.265 651 HB THR 84 HB THR 84 -15.981 17.874 2.291 652 HG1 THR 84 1HG THR 84 -14.522 16.326 3.059 653 HG21 THR 84 3HG2 THR 84 -16.428 16.699 0.188 654 HG22 THR 84 1HG2 THR 84 -14.790 17.064 -0.398 655 HG23 THR 84 2HG2 THR 84 -15.959 18.378 -0.126 656 H SER 85 H SER 85 -13.307 20.865 2.714 657 HA SER 85 HA SER 85 -12.811 20.123 5.506 658 HB2 SER 85 2HB SER 85 -11.537 21.881 4.228 659 HB3 SER 85 3HB SER 85 -12.966 22.921 4.333 660 HG SER 85 HG SER 85 -11.487 23.284 6.063 661 H LEU 86 H LEU 86 -14.960 19.159 5.720 662 HA LEU 86 HA LEU 86 -17.039 21.048 6.744 663 HB2 LEU 86 2HB LEU 86 -17.446 18.684 4.862 664 HB3 LEU 86 3HB LEU 86 -18.754 19.536 5.673 665 HG LEU 86 HG LEU 86 -16.858 20.833 3.661 666 HD11 LEU 86 1HD1 LEU 86 -19.719 19.855 3.316 667 HD12 LEU 86 2HD1 LEU 86 -18.266 19.106 2.618 668 HD13 LEU 86 3HD1 LEU 86 -18.749 20.731 2.110 669 HD21 LEU 86 3HD2 LEU 86 -19.480 21.813 4.889 670 HD22 LEU 86 1HD2 LEU 86 -18.564 22.629 3.603 671 HD23 LEU 86 2HD2 LEU 86 -17.865 22.480 5.217 672 H GLN 87 H GLN 87 -18.320 20.277 8.388 673 HA GLN 87 HA GLN 87 -17.976 17.593 9.513 674 HB2 GLN 87 2HB GLN 87 -17.298 18.464 11.750 675 HB3 GLN 87 3HB GLN 87 -16.053 18.599 10.530 676 HG2 GLN 87 2HG GLN 87 -17.867 20.967 11.160 677 HG3 GLN 87 3HG GLN 87 -16.498 20.587 12.180 678 HE21 GLN 87 1HE2 GLN 87 -17.290 22.667 9.730 679 HE22 GLN 87 2HE2 GLN 87 -15.689 22.781 9.005 680 H LYS 88 H LYS 88 -19.351 17.202 11.367 681 HA LYS 88 HA LYS 88 -21.868 18.823 11.385 682 HB2 LYS 88 2HB LYS 88 -21.887 16.431 10.587 683 HB3 LYS 88 3HB LYS 88 -21.476 15.924 12.219 684 HG2 LYS 88 2HG LYS 88 -23.807 17.750 12.162 685 HG3 LYS 88 3HG LYS 88 -24.048 16.385 11.096 686 HD2 LYS 88 2HD LYS 88 -23.152 16.036 13.985 687 HD3 LYS 88 3HD LYS 88 -24.850 16.154 13.547 688 HE2 LYS 88 2HE LYS 88 -22.977 14.086 12.313 689 HE3 LYS 88 3HE LYS 88 -23.860 13.800 13.813 690 HZ1 LYS 88 3HZ LYS 88 -25.146 14.424 11.208 691 HZ2 LYS 88 1HZ LYS 88 -25.939 14.157 12.614 692 HZ3 LYS 88 2HZ LYS 88 -25.095 12.953 11.912 693 H GLU 89 H GLU 89 -19.153 18.515 13.226 694 HA GLU 89 HA GLU 89 -20.253 18.531 15.920 695 HB2 GLU 89 2HB GLU 89 -17.572 19.572 14.907 696 HB3 GLU 89 3HB GLU 89 -18.005 19.273 16.586 697 HG2 GLU 89 2HG GLU 89 -17.678 17.193 14.383 698 HG3 GLU 89 3HG GLU 89 -16.601 17.478 15.742 699 H ILE 90 H ILE 90 -20.605 20.237 17.302 700 HA ILE 90 HA ILE 90 -21.260 22.863 16.168 701 HB ILE 90 HB ILE 90 -22.760 21.821 17.752 702 HG12 ILE 90 2HG1 ILE 90 -21.542 24.204 19.187 703 HG13 ILE 90 3HG1 ILE 90 -22.397 24.359 17.648 704 HG21 ILE 90 1HG2 ILE 90 -21.247 20.469 19.117 705 HG22 ILE 90 2HG2 ILE 90 -20.475 21.920 19.775 706 HG23 ILE 90 3HG2 ILE 90 -22.161 21.539 20.168 707 HD11 ILE 90 3HD1 ILE 90 -23.890 24.861 19.498 708 HD12 ILE 90 1HD1 ILE 90 -24.437 23.406 18.639 709 HD13 ILE 90 2HD1 ILE 90 -23.616 23.263 20.215 710 H SER 91 H SER 91 -20.318 24.843 16.771 711 HA SER 91 HA SER 91 -17.519 24.755 17.740 712 HB2 SER 91 2HB SER 91 -18.216 26.134 15.741 713 HB3 SER 91 3HB SER 91 -19.075 27.203 16.863 714 HG SER 91 HG SER 91 -16.353 26.873 16.411 715 H THR 92 H THR 92 -18.388 23.896 19.869 716 HA THR 92 HA THR 92 -19.593 25.767 21.740 717 HB THR 92 HB THR 92 -18.493 24.109 23.453 718 HG1 THR 92 1HG THR 92 -17.126 22.958 22.197 719 HG21 THR 92 3HG2 THR 92 -20.853 24.148 23.090 720 HG22 THR 92 1HG2 THR 92 -20.335 22.459 22.968 721 HG23 THR 92 2HG2 THR 92 -20.703 23.391 21.498 722 H GLU 93 H GLU 93 -16.317 25.381 20.591 723 HA GLU 93 HA GLU 93 -14.987 26.755 22.747 724 HB2 GLU 93 2HB GLU 93 -13.885 25.359 21.003 725 HB3 GLU 93 3HB GLU 93 -14.211 26.623 19.807 726 HG2 GLU 93 2HG GLU 93 -12.786 28.197 21.027 727 HG3 GLU 93 3HG GLU 93 -12.627 27.069 22.376 728 H GLU 94 H GLU 94 -16.757 27.951 19.892 729 HA GLU 94 HA GLU 94 -16.046 30.733 20.210 730 HB2 GLU 94 2HB GLU 94 -16.830 29.756 18.134 731 HB3 GLU 94 3HB GLU 94 -18.405 29.398 18.811 732 HG2 GLU 94 2HG GLU 94 -17.320 32.239 18.741 733 HG3 GLU 94 3HG GLU 94 -17.974 31.500 17.290 734 H GLN 95 H GLN 95 -18.545 28.716 21.705 735 HA GLN 95 HA GLN 95 -20.211 30.802 22.708 736 HB2 GLN 95 2HB GLN 95 -19.721 28.022 23.845 737 HB3 GLN 95 3HB GLN 95 -21.022 29.085 24.338 738 HG2 GLN 95 2HG GLN 95 -20.661 28.023 21.500 739 HG3 GLN 95 3HG GLN 95 -21.709 27.308 22.713 740 HE21 GLN 95 1HE2 GLN 95 -22.608 28.291 20.138 741 HE22 GLN 95 2HE2 GLN 95 -23.715 29.609 20.502 742 H LEU 96 H LEU 96 -17.097 29.743 23.896 743 HA LEU 96 HA LEU 96 -17.259 30.712 26.587 744 HB2 LEU 96 2HB LEU 96 -14.971 30.266 24.646 745 HB3 LEU 96 3HB LEU 96 -14.679 31.045 26.179 746 HG LEU 96 HG LEU 96 -14.110 28.694 26.238 747 HD11 LEU 96 1HD1 LEU 96 -14.815 29.867 28.310 748 HD12 LEU 96 2HD1 LEU 96 -15.139 28.128 28.347 749 HD13 LEU 96 3HD1 LEU 96 -16.471 29.264 28.072 750 HD21 LEU 96 3HD2 LEU 96 -15.849 27.800 24.716 751 HD22 LEU 96 1HD2 LEU 96 -17.073 28.057 25.980 752 HD23 LEU 96 2HD2 LEU 96 -15.742 26.915 26.246 753 H ARG 97 H ARG 97 -17.077 32.514 23.602 754 HA ARG 97 HA ARG 97 -16.006 34.977 24.547 755 HB2 ARG 97 2HB ARG 97 -16.866 35.965 22.602 756 HB3 ARG 97 3HB ARG 97 -16.531 34.296 22.150 757 HG2 ARG 97 2HG ARG 97 -19.040 33.837 22.639 758 HG3 ARG 97 3HG ARG 97 -19.245 35.587 22.707 759 HD2 ARG 97 2HD ARG 97 -18.146 34.032 20.334 760 HD3 ARG 97 3HD ARG 97 -19.817 34.592 20.517 761 HE ARG 97 HE ARG 97 -18.009 36.812 20.777 762 HH11 ARG 97 1HH1 ARG 97 -19.375 34.737 18.293 763 HH12 ARG 97 2HH1 ARG 97 -19.203 35.967 17.062 764 HH21 ARG 97 1HH2 ARG 97 -17.812 38.320 19.157 765 HH22 ARG 97 2HH2 ARG 97 -18.329 37.928 17.544 766 H ARG 98 H ARG 98 -19.077 33.570 25.245 767 HA ARG 98 HA ARG 98 -20.505 35.930 26.165 768 HB2 ARG 98 2HB ARG 98 -20.827 32.980 26.884 769 HB3 ARG 98 3HB ARG 98 -21.960 34.264 27.312 770 HG2 ARG 98 2HG ARG 98 -22.376 34.732 24.905 771 HG3 ARG 98 3HG ARG 98 -21.228 33.469 24.454 772 HD2 ARG 98 2HD ARG 98 -23.421 32.556 24.245 773 HD3 ARG 98 3HD ARG 98 -22.631 31.779 25.625 774 HE ARG 98 HE ARG 98 -24.143 34.043 26.540 775 HH11 ARG 98 1HH1 ARG 98 -24.777 30.855 25.277 776 HH12 ARG 98 2HH1 ARG 98 -26.298 30.713 26.121 777 HH21 ARG 98 1HH2 ARG 98 -26.073 33.825 27.595 778 HH22 ARG 98 2HH2 ARG 98 -27.011 32.373 27.399 779 H LEU 99 H LEU 99 -18.056 33.930 27.636 780 HA LEU 99 HA LEU 99 -18.491 34.974 30.352 781 HB2 LEU 99 2HB LEU 99 -17.658 32.585 29.508 782 HB3 LEU 99 3HB LEU 99 -16.093 33.358 29.460 783 HG LEU 99 HG LEU 99 -16.366 32.101 31.481 784 HD11 LEU 99 1HD1 LEU 99 -16.630 34.987 32.371 785 HD12 LEU 99 2HD1 LEU 99 -15.142 34.287 31.684 786 HD13 LEU 99 3HD1 LEU 99 -15.814 33.653 33.197 787 HD21 LEU 99 3HD2 LEU 99 -18.060 32.508 33.164 788 HD22 LEU 99 1HD2 LEU 99 -18.836 32.132 31.616 789 HD23 LEU 99 2HD2 LEU 99 -18.780 33.810 32.201 790 H GLN 100 H GLN 100 -16.130 35.380 27.710 791 HA GLN 100 HA GLN 100 -14.326 37.159 29.021 792 HB2 GLN 100 2HB GLN 100 -14.944 36.613 26.104 793 HB3 GLN 100 3HB GLN 100 -13.894 37.944 26.570 794 HG2 GLN 100 2HG GLN 100 -12.415 36.222 26.129 795 HG3 GLN 100 3HG GLN 100 -12.466 36.321 27.881 796 HE21 GLN 100 1HE2 GLN 100 -13.140 34.297 25.058 797 HE22 GLN 100 2HE2 GLN 100 -13.588 32.888 26.016 798 H GLU 101 H GLU 101 -15.208 38.809 30.158 799 HA GLU 101 HA GLU 101 -17.162 40.681 29.142 800 HB2 GLU 101 2HB GLU 101 -15.177 41.042 31.422 801 HB3 GLU 101 3HB GLU 101 -16.639 41.996 31.126 802 HG2 GLU 101 2HG GLU 101 -17.979 39.851 31.369 803 HG3 GLU 101 3HG GLU 101 -16.496 39.061 31.921 804 H GLU 102 H GLU 102 -13.646 40.621 29.020 805 HA GLU 102 HA GLU 102 -13.372 43.391 28.076 806 HB2 GLU 102 2HB GLU 102 -11.690 42.394 29.561 807 HB3 GLU 102 3HB GLU 102 -11.342 41.143 28.371 808 HG2 GLU 102 2HG GLU 102 -9.623 42.853 28.316 809 HG3 GLU 102 3HG GLU 102 -10.493 42.860 26.793 810 H LYS 103 H LYS 103 -14.460 43.579 26.171 811 HA LYS 103 HA LYS 103 -13.086 42.559 23.780 812 HB2 LYS 103 2HB LYS 103 -15.140 41.010 24.542 813 HB3 LYS 103 3HB LYS 103 -16.109 42.297 23.854 814 HG2 LYS 103 2HG LYS 103 -15.848 40.615 22.194 815 HG3 LYS 103 3HG LYS 103 -14.843 41.972 21.670 816 HD2 LYS 103 2HD LYS 103 -12.806 40.800 22.425 817 HD3 LYS 103 3HD LYS 103 -13.781 39.563 23.219 818 HE2 LYS 103 2HE LYS 103 -12.943 38.612 21.203 819 HE3 LYS 103 3HE LYS 103 -14.681 38.842 21.017 820 HZ1 LYS 103 3HZ LYS 103 -14.198 40.852 19.706 821 HZ2 LYS 103 1HZ LYS 103 -13.455 39.560 19.043 822 HZ3 LYS 103 2HZ LYS 103 -12.585 40.638 19.900 823 H LEU 104 H LEU 104 -13.305 43.888 22.001 824 HA LEU 104 HA LEU 104 -14.095 46.667 22.382 825 HB2 LEU 104 2HB LEU 104 -13.033 45.066 20.016 826 HB3 LEU 104 3HB LEU 104 -13.668 46.688 19.819 827 HG LEU 104 HG LEU 104 -12.019 47.562 21.471 828 HD11 LEU 104 1HD1 LEU 104 -11.417 45.548 22.722 829 HD12 LEU 104 2HD1 LEU 104 -9.988 46.186 21.913 830 HD13 LEU 104 3HD1 LEU 104 -10.816 44.767 21.237 831 HD21 LEU 104 3HD2 LEU 104 -10.131 47.472 19.896 832 HD22 LEU 104 1HD2 LEU 104 -11.662 47.695 19.039 833 HD23 LEU 104 2HD2 LEU 104 -10.881 46.097 19.053 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 24.364 11.876 -21.885 2 H2 GLY 1 2H GLY 1 24.417 10.698 -23.019 3 H3 GLY 1 3H GLY 1 25.799 11.191 -22.284 4 HA2 GLY 1 2HA GLY 1 25.089 9.059 -21.398 5 HA3 GLY 1 3HA GLY 1 25.079 10.337 -20.169 6 H SER 2 H SER 2 23.618 8.388 -19.387 7 HA SER 2 HA SER 2 20.808 8.460 -20.153 8 HB2 SER 2 2HB SER 2 20.513 7.140 -18.079 9 HB3 SER 2 3HB SER 2 21.759 6.474 -19.141 10 HG SER 2 HG SER 2 22.412 6.557 -16.924 11 H ALA 3 H ALA 3 19.169 8.952 -18.370 12 HA ALA 3 HA ALA 3 19.820 11.337 -16.720 13 HB1 ALA 3 1HB ALA 3 17.444 11.119 -18.622 14 HB2 ALA 3 2HB ALA 3 17.775 12.463 -17.507 15 HB3 ALA 3 3HB ALA 3 18.873 12.151 -18.861 16 H MET 4 H MET 4 17.913 11.843 -15.266 17 HA MET 4 HA MET 4 16.561 9.388 -14.226 18 HB2 MET 4 2HB MET 4 16.983 10.072 -11.961 19 HB3 MET 4 3HB MET 4 18.511 9.952 -12.828 20 HG2 MET 4 2HG MET 4 18.477 12.454 -13.130 21 HG3 MET 4 3HG MET 4 17.016 12.512 -12.136 22 HE1 MET 4 3HE MET 4 19.743 14.089 -9.805 23 HE2 MET 4 1HE MET 4 19.495 14.289 -11.553 24 HE3 MET 4 2HE MET 4 18.097 14.267 -10.452 25 H ALA 5 H ALA 5 14.688 9.906 -12.802 26 HA ALA 5 HA ALA 5 13.179 12.326 -13.699 27 HB1 ALA 5 1HB ALA 5 11.191 10.896 -13.932 28 HB2 ALA 5 2HB ALA 5 12.491 10.352 -15.008 29 HB3 ALA 5 3HB ALA 5 12.151 9.464 -13.505 30 H ASP 6 H ASP 6 11.575 13.078 -12.299 31 HA ASP 6 HA ASP 6 12.183 12.588 -9.418 32 HB2 ASP 6 2HB ASP 6 11.088 15.025 -10.863 33 HB3 ASP 6 3HB ASP 6 11.315 14.896 -9.116 34 H ILE 7 H ILE 7 10.728 10.650 -9.784 35 HA ILE 7 HA ILE 7 7.882 11.004 -9.987 36 HB ILE 7 HB ILE 7 7.671 8.695 -9.337 37 HG12 ILE 7 2HG1 ILE 7 10.648 8.707 -8.657 38 HG13 ILE 7 3HG1 ILE 7 9.324 8.601 -7.495 39 HG21 ILE 7 1HG2 ILE 7 10.095 8.972 -11.163 40 HG22 ILE 7 2HG2 ILE 7 8.850 7.709 -11.186 41 HG23 ILE 7 3HG2 ILE 7 8.429 9.360 -11.645 42 HD11 ILE 7 3HD1 ILE 7 8.584 6.461 -8.575 43 HD12 ILE 7 1HD1 ILE 7 10.055 6.517 -9.579 44 HD13 ILE 7 2HD1 ILE 7 10.187 6.397 -7.819 45 H GLY 8 H GLY 8 9.958 11.466 -7.294 46 HA2 GLY 8 2HA GLY 8 7.920 11.019 -5.213 47 HA3 GLY 8 3HA GLY 8 9.614 11.433 -4.972 48 H SER 9 H SER 9 7.073 13.129 -6.852 49 HA SER 9 HA SER 9 7.665 15.667 -5.422 50 HB2 SER 9 2HB SER 9 6.441 16.715 -7.276 51 HB3 SER 9 3HB SER 9 7.778 15.699 -7.834 52 HG SER 9 HG SER 9 5.084 15.445 -8.301 53 H GLU 10 H GLU 10 5.049 13.357 -5.755 54 HA GLU 10 HA GLU 10 3.031 15.033 -4.394 55 HB2 GLU 10 2HB GLU 10 3.038 12.091 -5.195 56 HB3 GLU 10 3HB GLU 10 1.668 12.948 -4.477 57 HG2 GLU 10 2HG GLU 10 1.692 14.558 -6.394 58 HG3 GLU 10 3HG GLU 10 2.957 13.595 -7.160 59 H PHE 11 H PHE 11 1.866 13.935 -2.478 60 HA PHE 11 HA PHE 11 1.805 13.461 -0.281 61 HB2 PHE 11 2HB PHE 11 2.492 11.260 -1.409 62 HB3 PHE 11 3HB PHE 11 4.090 11.530 -0.741 63 HD1 PHE 11 2HD PHE 11 0.473 11.122 0.159 64 HD2 PHE 11 1HD PHE 11 4.562 10.829 1.507 65 HE1 PHE 11 2HE PHE 11 -0.285 9.944 2.210 66 HE2 PHE 11 1HE PHE 11 3.802 9.649 3.554 67 HZ PHE 11 HZ PHE 11 1.382 9.201 3.909 68 H GLU 12 H GLU 12 3.877 15.511 -1.216 69 HA GLU 12 HA GLU 12 6.164 15.559 0.376 70 HB2 GLU 12 2HB GLU 12 5.630 16.921 -1.637 71 HB3 GLU 12 3HB GLU 12 4.599 17.959 -0.668 72 HG2 GLU 12 2HG GLU 12 7.567 17.498 -0.110 73 HG3 GLU 12 3HG GLU 12 6.986 18.739 -1.210 74 H LYS 13 H LYS 13 3.048 17.111 1.138 75 HA LYS 13 HA LYS 13 3.877 17.412 4.007 76 HB2 LYS 13 2HB LYS 13 3.464 19.547 2.813 77 HB3 LYS 13 3HB LYS 13 1.808 19.031 2.467 78 HG2 LYS 13 2HG LYS 13 1.314 18.926 4.879 79 HG3 LYS 13 3HG LYS 13 2.979 19.352 5.275 80 HD2 LYS 13 2HD LYS 13 1.048 21.109 3.695 81 HD3 LYS 13 3HD LYS 13 1.282 21.237 5.433 82 HE2 LYS 13 2HE LYS 13 3.514 21.623 3.383 83 HE3 LYS 13 3HE LYS 13 2.529 22.932 4.035 84 HZ1 LYS 13 3HZ LYS 13 4.270 21.166 5.670 85 HZ2 LYS 13 1HZ LYS 13 3.334 22.372 6.260 86 HZ3 LYS 13 2HZ LYS 13 4.587 22.715 5.276 87 H THR 14 H THR 14 2.727 16.422 5.532 88 HA THR 14 HA THR 14 0.844 14.325 4.923 89 HB THR 14 HB THR 14 0.643 14.326 7.504 90 HG1 THR 14 1HG THR 14 2.445 15.470 8.469 91 HG21 THR 14 3HG2 THR 14 3.424 14.061 6.282 92 HG22 THR 14 1HG2 THR 14 2.161 12.810 6.281 93 HG23 THR 14 2HG2 THR 14 2.868 13.345 7.813 94 HA PRO 15 HA PRO 15 -3.013 16.516 5.368 95 HB2 PRO 15 2HB PRO 15 -4.674 14.701 6.588 96 HB3 PRO 15 3HB PRO 15 -4.130 14.564 4.888 97 HG2 PRO 15 2HG PRO 15 -2.968 13.197 7.332 98 HG3 PRO 15 3HG PRO 15 -3.398 12.476 5.746 99 HD2 PRO 15 2HD PRO 15 -0.846 13.192 6.353 100 HD3 PRO 15 3HD PRO 15 -1.498 13.407 4.703 101 H SER 16 H SER 16 -4.262 17.658 6.828 102 HA SER 16 HA SER 16 -3.068 18.335 9.381 103 HB2 SER 16 2HB SER 16 -4.332 19.879 7.768 104 HB3 SER 16 3HB SER 16 -5.821 19.147 8.390 105 HG SER 16 HG SER 16 -3.918 20.798 9.673 106 H LEU 17 H LEU 17 -4.428 18.501 11.365 107 HA LEU 17 HA LEU 17 -5.280 15.842 12.209 108 HB2 LEU 17 2HB LEU 17 -4.912 18.527 13.574 109 HB3 LEU 17 3HB LEU 17 -5.749 17.229 14.396 110 HG LEU 17 HG LEU 17 -3.428 17.377 15.082 111 HD11 LEU 17 1HD1 LEU 17 -3.928 14.805 13.544 112 HD12 LEU 17 2HD1 LEU 17 -4.612 15.195 15.137 113 HD13 LEU 17 3HD1 LEU 17 -2.859 15.026 14.939 114 HD21 LEU 17 3HD2 LEU 17 -2.391 18.125 12.953 115 HD22 LEU 17 1HD2 LEU 17 -2.629 16.493 12.281 116 HD23 LEU 17 2HD2 LEU 17 -1.566 16.738 13.681 117 H THR 18 H THR 18 -7.166 15.174 11.356 118 HA THR 18 HA THR 18 -9.557 16.669 11.028 119 HB THR 18 HB THR 18 -9.675 13.727 11.696 120 HG1 THR 18 1HG THR 18 -8.643 14.777 9.278 121 HG21 THR 18 3HG2 THR 18 -11.276 13.709 9.836 122 HG22 THR 18 1HG2 THR 18 -10.928 15.418 9.484 123 HG23 THR 18 2HG2 THR 18 -11.721 14.963 11.003 124 H ARG 19 H ARG 19 -11.013 17.427 12.484 125 HA ARG 19 HA ARG 19 -10.853 16.875 15.339 126 HB2 ARG 19 2HB ARG 19 -13.124 18.183 13.778 127 HB3 ARG 19 3HB ARG 19 -12.900 18.203 15.529 128 HG2 ARG 19 2HG ARG 19 -10.678 19.394 15.163 129 HG3 ARG 19 3HG ARG 19 -11.087 19.491 13.445 130 HD2 ARG 19 2HD ARG 19 -11.734 21.572 14.338 131 HD3 ARG 19 3HD ARG 19 -13.239 20.667 14.114 132 HE ARG 19 HE ARG 19 -12.052 20.416 16.793 133 HH11 ARG 19 1HH1 ARG 19 -14.236 22.397 14.920 134 HH12 ARG 19 2HH1 ARG 19 -14.977 23.087 16.339 135 HH21 ARG 19 1HH2 ARG 19 -13.014 21.328 18.558 136 HH22 ARG 19 2HH2 ARG 19 -14.290 22.492 18.347 137 H ARG 20 H ARG 20 -12.868 15.620 12.788 138 HA ARG 20 HA ARG 20 -14.693 13.979 14.279 139 HB2 ARG 20 2HB ARG 20 -14.883 14.640 11.833 140 HB3 ARG 20 3HB ARG 20 -13.573 13.526 11.476 141 HG2 ARG 20 2HG ARG 20 -15.440 12.256 10.951 142 HG3 ARG 20 3HG ARG 20 -15.065 11.694 12.570 143 HD2 ARG 20 2HD ARG 20 -17.400 11.993 12.604 144 HD3 ARG 20 3HD ARG 20 -16.791 13.431 13.412 145 HE ARG 20 HE ARG 20 -17.497 14.763 11.610 146 HH11 ARG 20 1HH1 ARG 20 -17.916 11.419 10.670 147 HH12 ARG 20 2HH1 ARG 20 -18.825 11.836 9.242 148 HH21 ARG 20 1HH2 ARG 20 -18.641 15.233 9.770 149 HH22 ARG 20 2HH2 ARG 20 -19.216 13.943 8.756 150 H ILE 21 H ILE 21 -14.087 12.463 15.696 151 HA ILE 21 HA ILE 21 -11.688 10.870 15.553 152 HB ILE 21 HB ILE 21 -13.010 11.317 17.635 153 HG12 ILE 21 2HG1 ILE 21 -12.835 9.015 18.615 154 HG13 ILE 21 3HG1 ILE 21 -12.459 8.385 17.015 155 HG21 ILE 21 1HG2 ILE 21 -15.301 10.904 16.701 156 HG22 ILE 21 2HG2 ILE 21 -14.934 9.166 16.663 157 HG23 ILE 21 3HG2 ILE 21 -14.973 10.033 18.205 158 HD11 ILE 21 3HD1 ILE 21 -10.847 10.502 18.524 159 HD12 ILE 21 1HD1 ILE 21 -10.440 8.779 18.412 160 HD13 ILE 21 2HD1 ILE 21 -10.400 9.789 16.957 161 H ASP 22 H ASP 22 -11.307 8.854 14.652 162 HA ASP 22 HA ASP 22 -13.191 7.997 12.547 163 HB2 ASP 22 2HB ASP 22 -10.632 8.266 12.330 164 HB3 ASP 22 3HB ASP 22 -10.518 6.721 13.167 165 H ASP 23 H ASP 23 -14.627 6.365 12.799 166 HA ASP 23 HA ASP 23 -15.005 4.837 15.169 167 HB2 ASP 23 2HB ASP 23 -15.894 4.340 12.301 168 HB3 ASP 23 3HB ASP 23 -16.459 3.408 13.685 169 H THR 24 H THR 24 -12.791 4.266 12.527 170 HA THR 24 HA THR 24 -12.327 1.473 12.847 171 HB THR 24 HB THR 24 -10.266 3.526 11.993 172 HG1 THR 24 1HG THR 24 -11.923 3.893 10.731 173 HG21 THR 24 3HG2 THR 24 -9.248 1.354 12.188 174 HG22 THR 24 1HG2 THR 24 -9.587 1.626 10.469 175 HG23 THR 24 2HG2 THR 24 -10.636 0.556 11.415 176 H ILE 25 H ILE 25 -11.204 4.228 14.712 177 HA ILE 25 HA ILE 25 -9.064 2.978 16.193 178 HB ILE 25 HB ILE 25 -10.896 5.305 16.878 179 HG12 ILE 25 2HG1 ILE 25 -7.993 5.401 15.930 180 HG13 ILE 25 3HG1 ILE 25 -9.343 5.491 14.814 181 HG21 ILE 25 1HG2 ILE 25 -8.329 4.421 18.253 182 HG22 ILE 25 2HG2 ILE 25 -9.199 5.939 18.571 183 HG23 ILE 25 3HG2 ILE 25 -9.959 4.409 18.952 184 HD11 ILE 25 3HD1 ILE 25 -8.559 7.716 15.279 185 HD12 ILE 25 1HD1 ILE 25 -10.180 7.514 15.971 186 HD13 ILE 25 2HD1 ILE 25 -8.743 7.487 17.023 187 H PHE 26 H PHE 26 -12.563 3.319 16.799 188 HA PHE 26 HA PHE 26 -12.489 1.936 19.342 189 HB2 PHE 26 2HB PHE 26 -14.208 3.660 18.414 190 HB3 PHE 26 3HB PHE 26 -14.969 2.282 17.635 191 HD1 PHE 26 2HD PHE 26 -15.822 0.350 19.129 192 HD2 PHE 26 1HD PHE 26 -14.440 4.111 20.738 193 HE1 PHE 26 2HE PHE 26 -16.935 -0.158 21.290 194 HE2 PHE 26 1HE PHE 26 -15.567 3.602 22.889 195 HZ PHE 26 HZ PHE 26 -16.811 1.465 23.172 196 H GLN 27 H GLN 27 -13.448 0.910 16.030 197 HA GLN 27 HA GLN 27 -14.364 -1.653 16.904 198 HB2 GLN 27 2HB GLN 27 -14.969 -2.068 14.730 199 HB3 GLN 27 3HB GLN 27 -15.007 -0.310 14.811 200 HG2 GLN 27 2HG GLN 27 -12.635 -0.378 13.797 201 HG3 GLN 27 3HG GLN 27 -12.896 -2.091 13.511 202 HE21 GLN 27 1HE2 GLN 27 -12.357 -0.689 11.250 203 HE22 GLN 27 2HE2 GLN 27 -13.847 -0.419 10.361 204 H ASN 28 H ASN 28 -11.109 -0.679 16.249 205 HA ASN 28 HA ASN 28 -10.236 -3.532 16.136 206 HB2 ASN 28 2HB ASN 28 -10.313 -2.225 13.925 207 HB3 ASN 28 3HB ASN 28 -8.902 -1.355 14.516 208 HD21 ASN 28 1HD2 ASN 28 -6.928 -2.627 14.885 209 HD22 ASN 28 2HD2 ASN 28 -6.797 -4.242 14.166 210 HA PRO 29 HA PRO 29 -8.401 -1.593 19.775 211 HB2 PRO 29 2HB PRO 29 -7.637 -3.831 21.189 212 HB3 PRO 29 3HB PRO 29 -9.327 -3.259 21.045 213 HG2 PRO 29 2HG PRO 29 -7.934 -5.381 19.380 214 HG3 PRO 29 3HG PRO 29 -9.522 -5.493 20.208 215 HD2 PRO 29 2HD PRO 29 -9.350 -4.891 17.581 216 HD3 PRO 29 3HD PRO 29 -10.547 -4.055 18.620 217 H MET 30 H MET 30 -6.615 -3.571 17.571 218 HA MET 30 HA MET 30 -3.950 -3.371 18.557 219 HB2 MET 30 2HB MET 30 -4.943 -3.225 15.684 220 HB3 MET 30 3HB MET 30 -3.284 -3.536 16.181 221 HG2 MET 30 2HG MET 30 -3.823 -5.655 17.109 222 HG3 MET 30 3HG MET 30 -5.553 -5.353 17.041 223 HE1 MET 30 3HE MET 30 -3.085 -5.906 13.150 224 HE2 MET 30 1HE MET 30 -3.445 -4.295 13.788 225 HE3 MET 30 2HE MET 30 -2.395 -5.401 14.706 226 H VAL 31 H VAL 31 -6.021 -0.868 17.245 227 HA VAL 31 HA VAL 31 -4.091 1.036 16.401 228 HB VAL 31 HB VAL 31 -6.872 1.413 17.580 229 HG11 VAL 31 1HG1 VAL 31 -5.727 3.533 17.897 230 HG12 VAL 31 2HG1 VAL 31 -5.036 3.462 16.263 231 HG13 VAL 31 3HG1 VAL 31 -6.778 3.672 16.492 232 HG21 VAL 31 3HG2 VAL 31 -7.520 1.769 15.233 233 HG22 VAL 31 1HG2 VAL 31 -5.838 1.583 14.714 234 HG23 VAL 31 2HG2 VAL 31 -6.724 0.207 15.382 235 H GLN 32 H GLN 32 -5.613 0.700 19.636 236 HA GLN 32 HA GLN 32 -4.261 2.864 20.852 237 HB2 GLN 32 2HB GLN 32 -5.127 0.291 22.228 238 HB3 GLN 32 3HB GLN 32 -4.891 1.868 22.978 239 HG2 GLN 32 2HG GLN 32 -7.081 1.120 20.983 240 HG3 GLN 32 3HG GLN 32 -7.267 1.357 22.709 241 HE21 GLN 32 1HE2 GLN 32 -7.594 3.510 23.505 242 HE22 GLN 32 2HE2 GLN 32 -7.627 4.875 22.393 243 H GLU 33 H GLU 33 -3.243 -0.514 20.571 244 HA GLU 33 HA GLU 33 -0.794 -0.342 22.063 245 HB2 GLU 33 2HB GLU 33 -1.936 -2.448 21.563 246 HB3 GLU 33 3HB GLU 33 -1.714 -2.199 19.843 247 HG2 GLU 33 2HG GLU 33 -0.152 -3.851 20.678 248 HG3 GLU 33 3HG GLU 33 0.702 -2.453 20.042 249 H ALA 34 H ALA 34 -1.496 0.332 18.598 250 HA ALA 34 HA ALA 34 1.248 0.714 17.829 251 HB1 ALA 34 1HB ALA 34 0.347 1.780 15.848 252 HB2 ALA 34 2HB ALA 34 -0.596 0.328 16.227 253 HB3 ALA 34 3HB ALA 34 -1.255 1.936 16.594 254 H ILE 35 H ILE 35 -1.250 3.160 18.805 255 HA ILE 35 HA ILE 35 0.581 5.378 18.843 256 HB ILE 35 HB ILE 35 -1.980 4.952 20.416 257 HG12 ILE 35 2HG1 ILE 35 -2.271 7.150 18.690 258 HG13 ILE 35 3HG1 ILE 35 -1.279 6.074 17.731 259 HG21 ILE 35 1HG2 ILE 35 -0.636 6.507 21.736 260 HG22 ILE 35 2HG2 ILE 35 -0.255 7.460 20.280 261 HG23 ILE 35 3HG2 ILE 35 -1.910 7.390 20.917 262 HD11 ILE 35 3HD1 ILE 35 -2.941 4.314 17.946 263 HD12 ILE 35 1HD1 ILE 35 -3.902 5.275 19.080 264 HD13 ILE 35 2HD1 ILE 35 -3.743 5.770 17.380 265 H ARG 36 H ARG 36 -0.141 2.997 21.404 266 HA ARG 36 HA ARG 36 1.391 4.124 23.488 267 HB2 ARG 36 2HB ARG 36 -0.175 2.179 23.646 268 HB3 ARG 36 3HB ARG 36 1.057 1.158 22.896 269 HG2 ARG 36 2HG ARG 36 2.604 1.666 24.790 270 HG3 ARG 36 3HG ARG 36 1.334 2.633 25.555 271 HD2 ARG 36 2HD ARG 36 1.108 -0.327 24.847 272 HD3 ARG 36 3HD ARG 36 1.605 0.291 26.430 273 HE ARG 36 HE ARG 36 -0.896 1.483 25.777 274 HH11 ARG 36 1HH1 ARG 36 0.303 -1.684 26.597 275 HH12 ARG 36 2HH1 ARG 36 -1.167 -2.152 27.411 276 HH21 ARG 36 1HH2 ARG 36 -2.777 0.832 26.773 277 HH22 ARG 36 2HH2 ARG 36 -2.874 -0.754 27.479 278 H MET 37 H MET 37 2.635 2.307 20.702 279 HA MET 37 HA MET 37 5.357 2.153 21.761 280 HB2 MET 37 2HB MET 37 4.440 1.872 18.874 281 HB3 MET 37 3HB MET 37 6.023 1.467 19.542 282 HG2 MET 37 2HG MET 37 4.505 -0.045 21.179 283 HG3 MET 37 3HG MET 37 3.443 0.002 19.774 284 HE1 MET 37 3HE MET 37 4.660 -0.326 17.263 285 HE2 MET 37 1HE MET 37 6.319 0.201 17.617 286 HE3 MET 37 2HE MET 37 6.029 -1.441 17.016 287 H GLY 38 H GLY 38 3.630 4.815 20.551 288 HA2 GLY 38 2HA GLY 38 4.748 6.959 20.847 289 HA3 GLY 38 3HA GLY 38 6.154 6.338 19.988 290 H PHE 39 H PHE 39 3.552 5.190 18.246 291 HA PHE 39 HA PHE 39 3.842 7.127 16.095 292 HB2 PHE 39 2HB PHE 39 1.902 4.848 16.585 293 HB3 PHE 39 3HB PHE 39 1.908 5.824 15.122 294 HD1 PHE 39 2HD PHE 39 4.108 5.962 13.744 295 HD2 PHE 39 1HD PHE 39 3.217 2.850 16.599 296 HE1 PHE 39 2HE PHE 39 5.702 4.438 12.601 297 HE2 PHE 39 1HE PHE 39 4.794 1.339 15.449 298 HZ PHE 39 HZ PHE 39 6.027 2.115 13.455 299 H SER 40 H SER 40 2.067 8.301 15.102 300 HA SER 40 HA SER 40 0.483 9.884 17.009 301 HB2 SER 40 2HB SER 40 0.671 10.036 13.978 302 HB3 SER 40 3HB SER 40 0.010 11.275 15.059 303 HG SER 40 HG SER 40 2.281 11.509 14.282 304 H PHE 41 H PHE 41 -1.730 9.825 17.247 305 HA PHE 41 HA PHE 41 -3.386 7.712 16.454 306 HB2 PHE 41 2HB PHE 41 -3.818 10.454 17.534 307 HB3 PHE 41 3HB PHE 41 -5.173 9.806 16.645 308 HD1 PHE 41 2HD PHE 41 -6.136 7.527 17.250 309 HD2 PHE 41 1HD PHE 41 -3.440 9.714 19.813 310 HE1 PHE 41 2HE PHE 41 -6.883 6.179 19.199 311 HE2 PHE 41 1HE PHE 41 -4.205 8.369 21.756 312 HZ PHE 41 HZ PHE 41 -5.920 6.595 21.447 313 H LYS 42 H LYS 42 -3.066 10.835 14.780 314 HA LYS 42 HA LYS 42 -4.931 10.321 12.717 315 HB2 LYS 42 2HB LYS 42 -4.161 12.239 11.626 316 HB3 LYS 42 3HB LYS 42 -4.016 12.518 13.346 317 HG2 LYS 42 2HG LYS 42 -2.053 13.432 12.643 318 HG3 LYS 42 3HG LYS 42 -1.478 11.801 12.979 319 HD2 LYS 42 2HD LYS 42 -1.634 11.254 10.558 320 HD3 LYS 42 3HD LYS 42 -2.326 12.834 10.212 321 HE2 LYS 42 2HE LYS 42 0.418 12.450 11.485 322 HE3 LYS 42 3HE LYS 42 0.176 12.459 9.742 323 HZ1 LYS 42 3HZ LYS 42 -0.764 14.712 9.935 324 HZ2 LYS 42 1HZ LYS 42 0.759 14.667 10.535 325 HZ3 LYS 42 2HZ LYS 42 -0.509 14.713 11.552 326 H ASP 43 H ASP 43 -1.632 9.182 12.954 327 HA ASP 43 HA ASP 43 -1.544 8.370 10.120 328 HB2 ASP 43 2HB ASP 43 0.378 7.986 12.435 329 HB3 ASP 43 3HB ASP 43 0.609 7.235 10.855 330 H ILE 44 H ILE 44 -2.259 6.781 13.244 331 HA ILE 44 HA ILE 44 -2.357 4.153 12.042 332 HB ILE 44 HB ILE 44 -4.051 4.779 14.450 333 HG12 ILE 44 2HG1 ILE 44 -2.059 5.775 15.232 334 HG13 ILE 44 3HG1 ILE 44 -2.146 4.163 15.904 335 HG21 ILE 44 1HG2 ILE 44 -3.347 2.423 14.972 336 HG22 ILE 44 2HG2 ILE 44 -4.214 2.559 13.434 337 HG23 ILE 44 3HG2 ILE 44 -2.457 2.363 13.450 338 HD11 ILE 44 3HD1 ILE 44 0.083 4.427 15.347 339 HD12 ILE 44 1HD1 ILE 44 -0.560 3.411 14.069 340 HD13 ILE 44 2HD1 ILE 44 -0.257 5.134 13.752 341 H LYS 45 H LYS 45 -4.972 6.501 12.844 342 HA LYS 45 HA LYS 45 -7.075 4.976 11.618 343 HB2 LYS 45 2HB LYS 45 -8.418 6.993 11.581 344 HB3 LYS 45 3HB LYS 45 -7.598 6.769 13.117 345 HG2 LYS 45 2HG LYS 45 -7.252 9.005 12.884 346 HG3 LYS 45 3HG LYS 45 -5.813 8.399 12.099 347 HD2 LYS 45 2HD LYS 45 -6.492 10.065 10.643 348 HD3 LYS 45 3HD LYS 45 -7.193 8.645 9.866 349 HE2 LYS 45 2HE LYS 45 -9.373 9.133 10.925 350 HE3 LYS 45 3HE LYS 45 -8.670 10.551 11.725 351 HZ1 LYS 45 3HZ LYS 45 -8.250 11.505 9.529 352 HZ2 LYS 45 1HZ LYS 45 -9.829 11.139 9.661 353 HZ3 LYS 45 2HZ LYS 45 -8.850 10.165 8.784 354 H LYS 46 H LYS 46 -4.865 7.350 10.155 355 HA LYS 46 HA LYS 46 -5.940 7.244 7.517 356 HB2 LYS 46 2HB LYS 46 -4.392 8.977 8.234 357 HB3 LYS 46 3HB LYS 46 -3.065 7.805 8.358 358 HG2 LYS 46 2HG LYS 46 -3.122 7.412 5.944 359 HG3 LYS 46 3HG LYS 46 -4.649 8.279 5.807 360 HD2 LYS 46 2HD LYS 46 -3.377 9.944 5.071 361 HD3 LYS 46 3HD LYS 46 -3.170 10.322 6.772 362 HE2 LYS 46 2HE LYS 46 -1.255 8.585 5.134 363 HE3 LYS 46 3HE LYS 46 -1.098 10.335 5.271 364 HZ1 LYS 46 3HZ LYS 46 0.313 9.260 6.892 365 HZ2 LYS 46 1HZ LYS 46 -0.923 8.438 7.550 366 HZ3 LYS 46 2HZ LYS 46 -0.834 10.059 7.700 367 H ILE 47 H ILE 47 -3.175 5.311 8.848 368 HA ILE 47 HA ILE 47 -2.942 3.889 6.385 369 HB ILE 47 HB ILE 47 -1.183 4.119 8.236 370 HG12 ILE 47 2HG1 ILE 47 -1.595 1.479 6.784 371 HG13 ILE 47 3HG1 ILE 47 -0.976 2.965 6.066 372 HG21 ILE 47 1HG2 ILE 47 -2.481 3.073 10.088 373 HG22 ILE 47 2HG2 ILE 47 -2.446 1.516 9.233 374 HG23 ILE 47 3HG2 ILE 47 -0.953 2.255 9.803 375 HD11 ILE 47 3HD1 ILE 47 0.924 2.911 7.703 376 HD12 ILE 47 1HD1 ILE 47 0.386 1.277 8.187 377 HD13 ILE 47 2HD1 ILE 47 0.893 1.600 6.516 378 H MET 48 H MET 48 -4.879 3.101 9.290 379 HA MET 48 HA MET 48 -5.726 0.532 8.271 380 HB2 MET 48 2HB MET 48 -6.995 2.357 10.350 381 HB3 MET 48 3HB MET 48 -7.627 0.770 9.855 382 HG2 MET 48 2HG MET 48 -5.327 -0.174 10.335 383 HG3 MET 48 3HG MET 48 -4.981 1.319 11.205 384 HE1 MET 48 3HE MET 48 -5.346 -1.492 13.823 385 HE2 MET 48 1HE MET 48 -5.646 -2.264 12.245 386 HE3 MET 48 2HE MET 48 -4.390 -1.020 12.404 387 H GLU 49 H GLU 49 -7.414 3.773 8.083 388 HA GLU 49 HA GLU 49 -9.593 2.667 6.606 389 HB2 GLU 49 2HB GLU 49 -10.330 4.814 6.125 390 HB3 GLU 49 3HB GLU 49 -9.632 4.890 7.737 391 HG2 GLU 49 2HG GLU 49 -7.577 5.922 6.741 392 HG3 GLU 49 3HG GLU 49 -8.349 5.908 5.161 393 H GLU 50 H GLU 50 -6.489 3.982 5.438 394 HA GLU 50 HA GLU 50 -7.064 3.678 2.646 395 HB2 GLU 50 2HB GLU 50 -5.310 5.086 3.823 396 HB3 GLU 50 3HB GLU 50 -4.305 3.654 3.945 397 HG2 GLU 50 2HG GLU 50 -5.470 4.679 1.308 398 HG3 GLU 50 3HG GLU 50 -4.032 5.397 2.014 399 H LYS 51 H LYS 51 -5.367 1.470 4.932 400 HA LYS 51 HA LYS 51 -4.846 -0.692 3.186 401 HB2 LYS 51 2HB LYS 51 -3.948 -0.556 5.456 402 HB3 LYS 51 3HB LYS 51 -5.563 -0.675 6.147 403 HG2 LYS 51 2HG LYS 51 -4.434 -2.768 6.406 404 HG3 LYS 51 3HG LYS 51 -5.770 -2.997 5.296 405 HD2 LYS 51 2HD LYS 51 -4.302 -3.126 3.394 406 HD3 LYS 51 3HD LYS 51 -2.925 -2.487 4.323 407 HE2 LYS 51 2HE LYS 51 -2.913 -4.472 5.758 408 HE3 LYS 51 3HE LYS 51 -4.327 -5.130 4.927 409 HZ1 LYS 51 3HZ LYS 51 -2.993 -5.292 2.901 410 HZ2 LYS 51 1HZ LYS 51 -2.224 -6.080 4.101 411 HZ3 LYS 51 2HZ LYS 51 -1.699 -4.609 3.629 412 H ILE 52 H ILE 52 -7.765 -0.195 5.190 413 HA ILE 52 HA ILE 52 -9.188 -2.486 4.221 414 HB ILE 52 HB ILE 52 -10.288 0.120 5.335 415 HG12 ILE 52 2HG1 ILE 52 -10.011 -2.519 6.830 416 HG13 ILE 52 3HG1 ILE 52 -8.694 -1.366 6.818 417 HG21 ILE 52 1HG2 ILE 52 -12.062 -1.115 4.138 418 HG22 ILE 52 2HG2 ILE 52 -11.614 -2.617 4.972 419 HG23 ILE 52 3HG2 ILE 52 -12.329 -1.261 5.867 420 HD11 ILE 52 3HD1 ILE 52 -11.484 -0.875 7.925 421 HD12 ILE 52 1HD1 ILE 52 -9.957 -0.962 8.811 422 HD13 ILE 52 2HD1 ILE 52 -10.257 0.397 7.722 423 H GLN 53 H GLN 53 -9.279 0.939 3.079 424 HA GLN 53 HA GLN 53 -11.228 0.584 1.078 425 HB2 GLN 53 2HB GLN 53 -10.265 2.748 2.033 426 HB3 GLN 53 3HB GLN 53 -8.881 2.520 0.970 427 HG2 GLN 53 2HG GLN 53 -10.397 4.071 -0.061 428 HG3 GLN 53 3HG GLN 53 -10.462 2.582 -0.992 429 HE21 GLN 53 1HE2 GLN 53 -12.601 3.346 -1.820 430 HE22 GLN 53 2HE2 GLN 53 -14.002 3.190 -0.761 431 H ILE 54 H ILE 54 -7.697 0.163 0.823 432 HA ILE 54 HA ILE 54 -7.784 -0.486 -2.038 433 HB ILE 54 HB ILE 54 -5.562 -0.536 0.029 434 HG12 ILE 54 2HG1 ILE 54 -6.420 1.733 -0.528 435 HG13 ILE 54 3HG1 ILE 54 -4.749 1.477 -0.981 436 HG21 ILE 54 1HG2 ILE 54 -4.906 -2.139 -1.648 437 HG22 ILE 54 2HG2 ILE 54 -5.392 -1.056 -2.968 438 HG23 ILE 54 3HG2 ILE 54 -3.999 -0.656 -1.938 439 HD11 ILE 54 3HD1 ILE 54 -5.369 1.293 -3.350 440 HD12 ILE 54 1HD1 ILE 54 -7.096 1.420 -2.932 441 HD13 ILE 54 2HD1 ILE 54 -6.007 2.786 -2.650 442 H SER 55 H SER 55 -6.967 -2.407 0.895 443 HA SER 55 HA SER 55 -6.636 -4.862 -0.631 444 HB2 SER 55 2HB SER 55 -5.341 -4.258 1.415 445 HB3 SER 55 3HB SER 55 -6.819 -4.457 2.379 446 HG SER 55 HG SER 55 -5.615 -6.379 2.407 447 H GLY 56 H GLY 56 -9.228 -3.559 1.423 448 HA2 GLY 56 2HA GLY 56 -11.516 -4.201 1.231 449 HA3 GLY 56 3HA GLY 56 -11.043 -5.825 0.736 450 H SER 57 H SER 57 -8.983 -5.452 3.161 451 HA SER 57 HA SER 57 -10.820 -5.967 5.460 452 HB2 SER 57 2HB SER 57 -8.473 -7.731 4.643 453 HB3 SER 57 3HB SER 57 -9.404 -7.882 6.142 454 HG SER 57 HG SER 57 -10.124 -9.331 4.501 455 H ASN 58 H ASN 58 -9.798 -5.750 7.547 456 HA ASN 58 HA ASN 58 -7.664 -3.709 7.607 457 HB2 ASN 58 2HB ASN 58 -9.902 -3.730 8.969 458 HB3 ASN 58 3HB ASN 58 -9.092 -4.889 10.016 459 HD21 ASN 58 1HD2 ASN 58 -9.849 -2.730 11.327 460 HD22 ASN 58 2HD2 ASN 58 -8.515 -1.576 11.498 461 H TYR 59 H TYR 59 -6.037 -3.963 9.458 462 HA TYR 59 HA TYR 59 -4.312 -6.236 9.065 463 HB2 TYR 59 2HB TYR 59 -4.350 -4.074 11.207 464 HB3 TYR 59 3HB TYR 59 -3.041 -5.219 10.966 465 HD1 TYR 59 2HD TYR 59 -1.764 -5.246 8.773 466 HD2 TYR 59 1HD TYR 59 -4.457 -2.073 9.872 467 HE1 TYR 59 2HE TYR 59 -0.619 -3.723 7.165 468 HE2 TYR 59 1HE TYR 59 -3.331 -0.553 8.241 469 HH TYR 59 HH TYR 59 -1.756 -0.401 6.579 470 H LYS 60 H LYS 60 -3.622 -7.770 10.579 471 HA LYS 60 HA LYS 60 -5.611 -8.657 12.660 472 HB2 LYS 60 2HB LYS 60 -4.160 -10.197 10.477 473 HB3 LYS 60 3HB LYS 60 -4.865 -11.018 11.855 474 HG2 LYS 60 2HG LYS 60 -6.476 -9.191 10.019 475 HG3 LYS 60 3HG LYS 60 -6.283 -10.914 9.733 476 HD2 LYS 60 2HD LYS 60 -7.504 -9.756 12.280 477 HD3 LYS 60 3HD LYS 60 -8.426 -10.285 10.869 478 HE2 LYS 60 2HE LYS 60 -7.501 -12.566 11.075 479 HE3 LYS 60 3HE LYS 60 -6.545 -12.074 12.477 480 HZ1 LYS 60 3HZ LYS 60 -8.615 -13.156 13.138 481 HZ2 LYS 60 1HZ LYS 60 -9.512 -12.034 12.365 482 HZ3 LYS 60 2HZ LYS 60 -8.610 -11.613 13.663 483 H SER 61 H SER 61 -2.275 -8.064 12.122 484 HA SER 61 HA SER 61 -1.650 -8.906 14.903 485 HB2 SER 61 2HB SER 61 0.061 -9.593 12.469 486 HB3 SER 61 3HB SER 61 0.537 -9.828 14.156 487 HG SER 61 HG SER 61 -1.155 -11.328 14.386 488 H LEU 62 H LEU 62 0.007 -7.631 15.869 489 HA LEU 62 HA LEU 62 0.195 -4.949 14.871 490 HB2 LEU 62 2HB LEU 62 1.673 -6.442 17.072 491 HB3 LEU 62 3HB LEU 62 2.114 -4.809 16.626 492 HG LEU 62 HG LEU 62 0.733 -4.751 18.562 493 HD11 LEU 62 1HD1 LEU 62 -0.887 -3.688 16.212 494 HD12 LEU 62 2HD1 LEU 62 0.523 -2.887 16.938 495 HD13 LEU 62 3HD1 LEU 62 -0.949 -3.141 17.886 496 HD21 LEU 62 3HD2 LEU 62 -1.589 -5.423 18.635 497 HD22 LEU 62 1HD2 LEU 62 -0.581 -6.818 18.220 498 HD23 LEU 62 2HD2 LEU 62 -1.529 -5.995 16.958 499 H GLU 63 H GLU 63 2.375 -7.688 14.457 500 HA GLU 63 HA GLU 63 4.688 -6.453 13.502 501 HB2 GLU 63 2HB GLU 63 3.356 -8.998 12.489 502 HB3 GLU 63 3HB GLU 63 5.001 -8.515 12.094 503 HG2 GLU 63 2HG GLU 63 3.936 -9.145 14.880 504 HG3 GLU 63 3HG GLU 63 4.933 -10.197 13.887 505 H VAL 64 H VAL 64 1.932 -7.422 11.399 506 HA VAL 64 HA VAL 64 3.016 -6.106 9.055 507 HB VAL 64 HB VAL 64 0.686 -6.332 8.122 508 HG11 VAL 64 1HG1 VAL 64 2.469 -7.970 7.712 509 HG12 VAL 64 2HG1 VAL 64 2.019 -8.855 9.187 510 HG13 VAL 64 3HG1 VAL 64 0.885 -8.755 7.820 511 HG21 VAL 64 3HG2 VAL 64 -0.926 -7.767 9.198 512 HG22 VAL 64 1HG2 VAL 64 0.133 -8.026 10.595 513 HG23 VAL 64 2HG2 VAL 64 -0.579 -6.428 10.303 514 H LEU 65 H LEU 65 0.822 -4.991 11.610 515 HA LEU 65 HA LEU 65 0.015 -2.579 10.310 516 HB2 LEU 65 2HB LEU 65 -0.762 -3.838 12.581 517 HB3 LEU 65 3HB LEU 65 0.316 -2.666 13.303 518 HG LEU 65 HG LEU 65 -2.318 -2.292 11.893 519 HD11 LEU 65 1HD1 LEU 65 -2.723 -0.822 13.856 520 HD12 LEU 65 2HD1 LEU 65 -1.053 -1.065 14.378 521 HD13 LEU 65 3HD1 LEU 65 -2.179 -2.434 14.352 522 HD21 LEU 65 3HD2 LEU 65 -1.011 -0.661 10.645 523 HD22 LEU 65 1HD2 LEU 65 -0.282 -0.064 12.149 524 HD23 LEU 65 2HD2 LEU 65 -2.013 0.174 11.827 525 H VAL 66 H VAL 66 2.587 -3.108 12.770 526 HA VAL 66 HA VAL 66 3.550 -0.400 12.651 527 HB VAL 66 HB VAL 66 5.265 -0.980 14.150 528 HG11 VAL 66 1HG1 VAL 66 3.074 -0.736 15.129 529 HG12 VAL 66 2HG1 VAL 66 2.676 -2.434 14.830 530 HG13 VAL 66 3HG1 VAL 66 3.937 -2.033 15.980 531 HG21 VAL 66 3HG2 VAL 66 4.684 -3.905 13.595 532 HG22 VAL 66 1HG2 VAL 66 6.189 -3.023 13.295 533 HG23 VAL 66 2HG2 VAL 66 5.654 -3.305 14.952 534 H ALA 67 H ALA 67 4.626 -3.327 10.957 535 HA ALA 67 HA ALA 67 6.984 -2.200 9.777 536 HB1 ALA 67 1HB ALA 67 5.082 -4.356 8.753 537 HB2 ALA 67 2HB ALA 67 6.707 -4.017 8.120 538 HB3 ALA 67 3HB ALA 67 6.514 -4.608 9.780 539 H ASP 68 H ASP 68 3.599 -2.409 8.491 540 HA ASP 68 HA ASP 68 4.168 -0.806 6.178 541 HB2 ASP 68 2HB ASP 68 1.602 -1.645 7.544 542 HB3 ASP 68 3HB ASP 68 1.613 -0.509 6.207 543 H LEU 69 H LEU 69 3.099 0.144 9.468 544 HA LEU 69 HA LEU 69 2.729 2.924 8.977 545 HB2 LEU 69 2HB LEU 69 3.635 1.368 11.397 546 HB3 LEU 69 3HB LEU 69 3.638 3.118 11.423 547 HG LEU 69 HG LEU 69 1.127 1.564 10.739 548 HD11 LEU 69 1HD1 LEU 69 1.939 0.920 13.004 549 HD12 LEU 69 2HD1 LEU 69 0.460 1.852 13.063 550 HD13 LEU 69 3HD1 LEU 69 2.011 2.635 13.455 551 HD21 LEU 69 3HD2 LEU 69 1.618 4.405 11.757 552 HD22 LEU 69 1HD2 LEU 69 0.030 3.668 11.481 553 HD23 LEU 69 2HD2 LEU 69 1.107 3.966 10.113 554 H VAL 70 H VAL 70 5.829 1.410 10.142 555 HA VAL 70 HA VAL 70 7.256 3.874 9.804 556 HB VAL 70 HB VAL 70 9.340 2.683 9.934 557 HG11 VAL 70 1HG1 VAL 70 9.120 1.782 12.139 558 HG12 VAL 70 2HG1 VAL 70 7.984 3.134 11.991 559 HG13 VAL 70 3HG1 VAL 70 7.398 1.453 11.900 560 HG21 VAL 70 3HG2 VAL 70 9.488 0.253 10.218 561 HG22 VAL 70 1HG2 VAL 70 7.762 0.086 9.862 562 HG23 VAL 70 2HG2 VAL 70 8.883 0.652 8.607 563 H ASN 71 H ASN 71 6.556 1.356 7.440 564 HA ASN 71 HA ASN 71 8.317 2.416 5.405 565 HB2 ASN 71 2HB ASN 71 7.416 0.051 5.565 566 HB3 ASN 71 3HB ASN 71 5.853 0.669 5.028 567 HD21 ASN 71 1HD2 ASN 71 5.601 0.253 2.816 568 HD22 ASN 71 2HD2 ASN 71 6.937 0.345 1.673 569 H ALA 72 H ALA 72 4.802 2.910 6.066 570 HA ALA 72 HA ALA 72 4.358 4.703 3.853 571 HB1 ALA 72 1HB ALA 72 2.562 3.433 4.967 572 HB2 ALA 72 2HB ALA 72 2.840 4.337 6.474 573 HB3 ALA 72 3HB ALA 72 2.240 5.175 5.025 574 H GLN 73 H GLN 73 5.536 5.209 7.140 575 HA GLN 73 HA GLN 73 5.431 8.104 7.134 576 HB2 GLN 73 2HB GLN 73 6.952 6.041 8.764 577 HB3 GLN 73 3HB GLN 73 7.122 7.766 9.058 578 HG2 GLN 73 2HG GLN 73 4.398 6.405 9.103 579 HG3 GLN 73 3HG GLN 73 5.442 6.492 10.514 580 HE21 GLN 73 1HE2 GLN 73 3.095 8.244 8.633 581 HE22 GLN 73 2HE2 GLN 73 3.201 9.693 9.614 582 H LYS 74 H LYS 74 7.496 6.032 5.353 583 HA LYS 74 HA LYS 74 9.855 7.754 5.235 584 HB2 LYS 74 2HB LYS 74 8.855 5.694 3.219 585 HB3 LYS 74 3HB LYS 74 10.448 6.428 3.229 586 HG2 LYS 74 2HG LYS 74 9.343 4.517 5.302 587 HG3 LYS 74 3HG LYS 74 10.589 4.203 4.102 588 HD2 LYS 74 2HD LYS 74 12.035 5.955 5.246 589 HD3 LYS 74 3HD LYS 74 10.778 6.105 6.481 590 HE2 LYS 74 2HE LYS 74 12.419 4.665 7.387 591 HE3 LYS 74 3HE LYS 74 11.013 3.671 6.998 592 HZ1 LYS 74 3HZ LYS 74 13.456 3.907 5.310 593 HZ2 LYS 74 1HZ LYS 74 12.180 2.938 4.981 594 HZ3 LYS 74 2HZ LYS 74 13.117 2.644 6.283 595 H ASP 75 H ASP 75 10.563 8.643 3.127 596 HA ASP 75 HA ASP 75 10.523 10.409 1.737 597 HB2 ASP 75 2HB ASP 75 9.289 8.615 0.452 598 HB3 ASP 75 3HB ASP 75 7.785 9.432 0.868 599 H SER 76 H SER 76 9.298 10.775 4.419 600 HA SER 76 HA SER 76 7.514 13.135 4.070 601 HB2 SER 76 2HB SER 76 6.835 11.346 5.617 602 HB3 SER 76 3HB SER 76 8.315 11.592 6.563 603 HG SER 76 HG SER 76 6.538 12.731 7.451 604 H MET 77 H MET 77 10.517 12.284 5.866 605 HA MET 77 HA MET 77 11.115 14.969 6.702 606 HB2 MET 77 2HB MET 77 12.899 12.510 6.432 607 HB3 MET 77 3HB MET 77 13.384 14.011 7.213 608 HG2 MET 77 2HG MET 77 11.118 12.184 8.090 609 HG3 MET 77 3HG MET 77 12.692 12.327 8.853 610 HE1 MET 77 3HE MET 77 13.234 15.507 9.012 611 HE2 MET 77 1HE MET 77 12.564 15.798 10.629 612 HE3 MET 77 2HE MET 77 13.504 14.325 10.315 613 H GLN 78 H GLN 78 12.604 16.454 5.981 614 HA GLN 78 HA GLN 78 14.080 16.053 3.452 615 HB2 GLN 78 2HB GLN 78 11.829 16.979 2.842 616 HB3 GLN 78 3HB GLN 78 12.149 18.374 3.882 617 HG2 GLN 78 2HG GLN 78 14.156 18.920 2.450 618 HG3 GLN 78 3HG GLN 78 13.773 17.525 1.439 619 HE21 GLN 78 1HE2 GLN 78 13.557 18.952 -0.448 620 HE22 GLN 78 2HE2 GLN 78 12.127 19.971 -0.581 621 H ASP 79 H ASP 79 16.093 16.772 3.736 622 HA ASP 79 HA ASP 79 16.981 18.402 5.966 623 HB2 ASP 79 2HB ASP 79 18.350 17.498 3.401 624 HB3 ASP 79 3HB ASP 79 19.140 18.418 4.682 625 H GLU 80 H GLU 80 16.486 20.518 6.122 626 HA GLU 80 HA GLU 80 15.914 22.248 3.879 627 HB2 GLU 80 2HB GLU 80 15.662 23.985 5.473 628 HB3 GLU 80 3HB GLU 80 14.984 22.518 6.178 629 HG2 GLU 80 2HG GLU 80 17.140 22.210 7.464 630 HG3 GLU 80 3HG GLU 80 17.699 23.760 6.836 631 H SER 81 H SER 81 18.877 21.232 5.152 632 HA SER 81 HA SER 81 20.428 23.478 3.912 633 HB2 SER 81 2HB SER 81 20.518 23.273 6.451 634 HB3 SER 81 3HB SER 81 21.329 21.716 6.212 635 HG SER 81 HG SER 81 22.221 24.336 5.665 636 H SER 82 H SER 82 22.698 22.742 3.409 637 HA SER 82 HA SER 82 22.567 20.279 1.706 638 HB2 SER 82 2HB SER 82 24.099 22.858 1.238 639 HB3 SER 82 3HB SER 82 24.059 21.449 0.158 640 HG SER 82 HG SER 82 22.552 23.050 -0.484 641 H GLN 83 H GLN 83 23.529 20.333 4.496 642 HA GLN 83 HA GLN 83 26.337 20.288 4.697 643 HB2 GLN 83 2HB GLN 83 26.032 19.193 6.820 644 HB3 GLN 83 3HB GLN 83 24.814 20.423 6.579 645 HG2 GLN 83 2HG GLN 83 23.600 18.711 7.557 646 HG3 GLN 83 3HG GLN 83 23.208 18.525 5.859 647 HE21 GLN 83 1HE2 GLN 83 22.543 16.274 6.454 648 HE22 GLN 83 2HE2 GLN 83 23.817 15.077 6.665 649 H THR 84 H THR 84 24.352 17.881 3.205 650 HA THR 84 HA THR 84 26.062 15.578 3.372 651 HB THR 84 HB THR 84 24.684 14.881 1.325 652 HG1 THR 84 1HG THR 84 22.839 16.181 0.983 653 HG21 THR 84 3HG2 THR 84 22.661 14.489 2.615 654 HG22 THR 84 1HG2 THR 84 23.108 15.755 3.780 655 HG23 THR 84 2HG2 THR 84 24.072 14.264 3.661 656 H SER 85 H SER 85 25.512 17.832 0.655 657 HA SER 85 HA SER 85 26.575 18.133 -1.348 658 HB2 SER 85 2HB SER 85 29.006 18.160 0.469 659 HB3 SER 85 3HB SER 85 28.985 18.739 -1.207 660 HG SER 85 HG SER 85 28.650 20.422 0.329 661 H LEU 86 H LEU 86 25.992 15.408 -0.970 662 HA LEU 86 HA LEU 86 28.018 14.113 -2.702 663 HB2 LEU 86 2HB LEU 86 28.178 12.134 -1.292 664 HB3 LEU 86 3HB LEU 86 28.718 13.579 -0.474 665 HG LEU 86 HG LEU 86 26.386 13.629 0.673 666 HD11 LEU 86 1HD1 LEU 86 26.428 10.728 -0.272 667 HD12 LEU 86 2HD1 LEU 86 25.184 11.942 -0.650 668 HD13 LEU 86 3HD1 LEU 86 25.376 11.379 1.004 669 HD21 LEU 86 3HD2 LEU 86 28.487 13.074 1.814 670 HD22 LEU 86 1HD2 LEU 86 28.346 11.383 1.278 671 HD23 LEU 86 2HD2 LEU 86 27.155 12.074 2.407 672 H GLN 87 H GLN 87 27.289 11.960 -3.446 673 HA GLN 87 HA GLN 87 24.330 11.788 -3.951 674 HB2 GLN 87 2HB GLN 87 26.578 11.411 -5.973 675 HB3 GLN 87 3HB GLN 87 24.894 10.945 -6.235 676 HG2 GLN 87 2HG GLN 87 24.201 13.326 -5.891 677 HG3 GLN 87 3HG GLN 87 25.902 13.778 -5.732 678 HE21 GLN 87 1HE2 GLN 87 27.025 14.271 -7.671 679 HE22 GLN 87 2HE2 GLN 87 26.361 13.887 -9.257 680 H LYS 88 H LYS 88 27.357 9.924 -4.310 681 HA LYS 88 HA LYS 88 26.129 7.518 -3.043 682 HB2 LYS 88 2HB LYS 88 27.528 7.771 -5.735 683 HB3 LYS 88 3HB LYS 88 27.614 6.263 -4.855 684 HG2 LYS 88 2HG LYS 88 24.989 7.611 -5.619 685 HG3 LYS 88 3HG LYS 88 25.793 6.396 -6.607 686 HD2 LYS 88 2HD LYS 88 24.883 5.902 -3.738 687 HD3 LYS 88 3HD LYS 88 23.925 5.509 -5.162 688 HE2 LYS 88 2HE LYS 88 25.438 3.850 -5.913 689 HE3 LYS 88 3HE LYS 88 26.751 4.440 -4.890 690 HZ1 LYS 88 3HZ LYS 88 24.290 3.205 -3.802 691 HZ2 LYS 88 1HZ LYS 88 25.617 3.700 -2.955 692 HZ3 LYS 88 2HZ LYS 88 25.726 2.432 -3.981 693 H GLU 89 H GLU 89 27.697 5.933 -2.393 694 HA GLU 89 HA GLU 89 30.224 7.144 -1.353 695 HB2 GLU 89 2HB GLU 89 30.150 5.483 0.406 696 HB3 GLU 89 3HB GLU 89 28.741 6.527 0.432 697 HG2 GLU 89 2HG GLU 89 28.754 3.679 -0.671 698 HG3 GLU 89 3HG GLU 89 28.308 4.116 0.964 699 H ILE 90 H ILE 90 32.154 6.149 -1.614 700 HA ILE 90 HA ILE 90 32.361 4.096 -3.720 701 HB ILE 90 HB ILE 90 33.620 6.225 -3.774 702 HG12 ILE 90 2HG1 ILE 90 35.553 3.888 -3.744 703 HG13 ILE 90 3HG1 ILE 90 34.284 4.053 -4.963 704 HG21 ILE 90 1HG2 ILE 90 35.616 6.556 -2.393 705 HG22 ILE 90 2HG2 ILE 90 34.198 6.415 -1.357 706 HG23 ILE 90 3HG2 ILE 90 35.311 5.041 -1.525 707 HD11 ILE 90 3HD1 ILE 90 35.194 6.247 -5.647 708 HD12 ILE 90 1HD1 ILE 90 36.505 6.076 -4.454 709 HD13 ILE 90 2HD1 ILE 90 36.385 4.943 -5.810 710 H SER 91 H SER 91 32.156 4.033 -0.410 711 HA SER 91 HA SER 91 33.669 1.462 -0.088 712 HB2 SER 91 2HB SER 91 33.067 3.608 1.979 713 HB3 SER 91 3HB SER 91 33.899 2.071 2.278 714 HG SER 91 HG SER 91 35.354 3.838 1.943 715 H THR 92 H THR 92 32.118 -0.085 -0.375 716 HA THR 92 HA THR 92 29.384 0.034 0.217 717 HB THR 92 HB THR 92 31.107 -2.464 0.394 718 HG1 THR 92 1HG THR 92 30.788 -2.594 -1.833 719 HG21 THR 92 3HG2 THR 92 28.759 -2.879 0.997 720 HG22 THR 92 1HG2 THR 92 29.093 -3.559 -0.598 721 HG23 THR 92 2HG2 THR 92 28.208 -2.023 -0.460 722 H GLU 93 H GLU 93 32.045 -0.700 2.417 723 HA GLU 93 HA GLU 93 30.651 -1.725 4.671 724 HB2 GLU 93 2HB GLU 93 33.141 0.036 4.540 725 HB3 GLU 93 3HB GLU 93 32.581 -0.840 5.953 726 HG2 GLU 93 2HG GLU 93 34.323 -2.132 5.049 727 HG3 GLU 93 3HG GLU 93 32.823 -2.996 4.734 728 H GLU 94 H GLU 94 30.797 1.583 3.459 729 HA GLU 94 HA GLU 94 29.899 2.894 5.870 730 HB2 GLU 94 2HB GLU 94 31.052 3.838 3.733 731 HB3 GLU 94 3HB GLU 94 29.424 3.957 3.080 732 HG2 GLU 94 2HG GLU 94 30.409 5.186 5.702 733 HG3 GLU 94 3HG GLU 94 30.385 6.033 4.164 734 H GLN 95 H GLN 95 28.244 1.346 3.120 735 HA GLN 95 HA GLN 95 25.568 2.208 3.813 736 HB2 GLN 95 2HB GLN 95 26.431 -0.248 2.225 737 HB3 GLN 95 3HB GLN 95 24.810 0.433 2.311 738 HG2 GLN 95 2HG GLN 95 25.659 2.556 1.301 739 HG3 GLN 95 3HG GLN 95 27.261 1.821 1.137 740 HE21 GLN 95 1HE2 GLN 95 23.809 1.391 0.106 741 HE22 GLN 95 2HE2 GLN 95 24.250 0.548 -1.374 742 H LEU 96 H LEU 96 27.547 -0.583 4.773 743 HA LEU 96 HA LEU 96 25.484 -2.013 6.188 744 HB2 LEU 96 2HB LEU 96 28.520 -2.057 6.369 745 HB3 LEU 96 3HB LEU 96 27.505 -2.940 7.498 746 HG LEU 96 HG LEU 96 26.411 -4.128 5.571 747 HD11 LEU 96 1HD1 LEU 96 28.738 -2.959 3.984 748 HD12 LEU 96 2HD1 LEU 96 27.010 -2.653 3.682 749 HD13 LEU 96 3HD1 LEU 96 27.672 -4.268 3.442 750 HD21 LEU 96 3HD2 LEU 96 29.423 -4.457 5.906 751 HD22 LEU 96 1HD2 LEU 96 28.305 -5.682 5.262 752 HD23 LEU 96 2HD2 LEU 96 28.165 -5.162 6.946 753 H ARG 97 H ARG 97 27.906 0.362 7.415 754 HA ARG 97 HA ARG 97 26.715 0.393 10.071 755 HB2 ARG 97 2HB ARG 97 28.132 2.231 10.616 756 HB3 ARG 97 3HB ARG 97 29.052 1.005 9.743 757 HG2 ARG 97 2HG ARG 97 28.989 2.343 7.712 758 HG3 ARG 97 3HG ARG 97 27.936 3.542 8.471 759 HD2 ARG 97 2HD ARG 97 29.747 4.690 9.022 760 HD3 ARG 97 3HD ARG 97 30.118 3.460 10.216 761 HE ARG 97 HE ARG 97 31.427 3.950 7.636 762 HH11 ARG 97 1HH1 ARG 97 31.169 1.591 10.202 763 HH12 ARG 97 2HH1 ARG 97 32.639 0.785 9.728 764 HH21 ARG 97 1HH2 ARG 97 33.282 2.893 7.085 765 HH22 ARG 97 2HH2 ARG 97 33.805 1.526 8.019 766 H ARG 98 H ARG 98 25.850 2.114 7.184 767 HA ARG 98 HA ARG 98 24.166 4.110 8.435 768 HB2 ARG 98 2HB ARG 98 25.177 3.984 6.052 769 HB3 ARG 98 3HB ARG 98 23.779 3.021 5.619 770 HG2 ARG 98 2HG ARG 98 23.629 5.810 6.867 771 HG3 ARG 98 3HG ARG 98 23.827 5.560 5.142 772 HD2 ARG 98 2HD ARG 98 21.422 4.717 6.782 773 HD3 ARG 98 3HD ARG 98 21.524 6.066 5.667 774 HE ARG 98 HE ARG 98 22.164 4.087 3.978 775 HH11 ARG 98 1HH1 ARG 98 19.526 4.182 6.262 776 HH12 ARG 98 2HH1 ARG 98 18.501 3.177 5.271 777 HH21 ARG 98 1HH2 ARG 98 20.838 2.793 2.767 778 HH22 ARG 98 2HH2 ARG 98 19.243 2.409 3.341 779 H LEU 99 H LEU 99 23.563 0.752 7.554 780 HA LEU 99 HA LEU 99 20.727 0.750 7.713 781 HB2 LEU 99 2HB LEU 99 22.113 -1.106 6.803 782 HB3 LEU 99 3HB LEU 99 22.683 -1.470 8.431 783 HG LEU 99 HG LEU 99 20.319 -1.993 9.115 784 HD11 LEU 99 1HD1 LEU 99 19.759 -1.737 6.126 785 HD12 LEU 99 2HD1 LEU 99 19.066 -0.719 7.411 786 HD13 LEU 99 3HD1 LEU 99 18.656 -2.433 7.333 787 HD21 LEU 99 3HD2 LEU 99 20.230 -4.157 7.971 788 HD22 LEU 99 1HD2 LEU 99 21.887 -3.764 8.452 789 HD23 LEU 99 2HD2 LEU 99 21.393 -3.582 6.753 790 H GLN 100 H GLN 100 23.093 0.070 10.321 791 HA GLN 100 HA GLN 100 21.052 -0.135 12.393 792 HB2 GLN 100 2HB GLN 100 22.906 -0.243 13.961 793 HB3 GLN 100 3HB GLN 100 23.117 -1.374 12.630 794 HG2 GLN 100 2HG GLN 100 24.796 0.050 11.590 795 HG3 GLN 100 3HG GLN 100 24.520 1.335 12.770 796 HE21 GLN 100 1HE2 GLN 100 26.729 -1.074 12.046 797 HE22 GLN 100 2HE2 GLN 100 27.302 -1.326 13.690 798 H GLU 101 H GLU 101 20.830 1.246 14.242 799 HA GLU 101 HA GLU 101 21.046 4.146 13.647 800 HB2 GLU 101 2HB GLU 101 18.902 3.185 14.427 801 HB3 GLU 101 3HB GLU 101 19.666 2.721 15.953 802 HG2 GLU 101 2HG GLU 101 20.190 5.127 16.397 803 HG3 GLU 101 3HG GLU 101 19.452 5.566 14.856 804 H GLU 102 H GLU 102 23.109 4.798 13.973 805 HA GLU 102 HA GLU 102 24.861 3.981 16.092 806 HB2 GLU 102 2HB GLU 102 25.445 5.019 13.864 807 HB3 GLU 102 3HB GLU 102 24.959 6.582 14.504 808 HG2 GLU 102 2HG GLU 102 27.099 4.779 15.734 809 HG3 GLU 102 3HG GLU 102 27.440 6.015 14.534 810 H LYS 103 H LYS 103 24.357 4.227 18.162 811 HA LYS 103 HA LYS 103 23.143 6.764 19.201 812 HB2 LYS 103 2HB LYS 103 21.600 4.794 19.088 813 HB3 LYS 103 3HB LYS 103 22.664 3.933 20.207 814 HG2 LYS 103 2HG LYS 103 22.323 5.882 21.845 815 HG3 LYS 103 3HG LYS 103 21.100 6.500 20.738 816 HD2 LYS 103 2HD LYS 103 21.094 3.844 22.233 817 HD3 LYS 103 3HD LYS 103 20.053 5.225 22.558 818 HE2 LYS 103 2HE LYS 103 20.037 3.560 19.998 819 HE3 LYS 103 3HE LYS 103 18.917 3.340 21.340 820 HZ1 LYS 103 3HZ LYS 103 17.915 5.415 20.895 821 HZ2 LYS 103 1HZ LYS 103 18.160 4.786 19.390 822 HZ3 LYS 103 2HZ LYS 103 19.143 5.942 19.948 823 H LEU 104 H LEU 104 24.612 7.835 20.247 824 HA LEU 104 HA LEU 104 26.724 6.563 21.897 825 HB2 LEU 104 2HB LEU 104 27.346 8.313 20.260 826 HB3 LEU 104 3HB LEU 104 26.267 9.457 21.058 827 HG LEU 104 HG LEU 104 27.663 9.373 23.105 828 HD11 LEU 104 1HD1 LEU 104 29.466 7.556 21.440 829 HD12 LEU 104 2HD1 LEU 104 28.623 7.118 22.944 830 HD13 LEU 104 3HD1 LEU 104 29.918 8.316 22.983 831 HD21 LEU 104 3HD2 LEU 104 28.096 11.045 21.341 832 HD22 LEU 104 1HD2 LEU 104 29.228 9.926 20.548 833 HD23 LEU 104 2HD2 LEU 104 29.590 10.574 22.164 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 26.460 0.778 -10.854 2 H2 GLY 1 2H GLY 1 25.828 0.192 -12.242 3 H3 GLY 1 3H GLY 1 25.298 -0.373 -10.803 4 HA2 GLY 1 2HA GLY 1 24.937 2.387 -11.786 5 HA3 GLY 1 3HA GLY 1 23.694 1.128 -11.806 6 H SER 2 H SER 2 25.589 3.281 -9.747 7 HA SER 2 HA SER 2 24.206 2.532 -7.258 8 HB2 SER 2 2HB SER 2 26.598 3.355 -7.423 9 HB3 SER 2 3HB SER 2 25.946 4.960 -7.805 10 HG SER 2 HG SER 2 26.371 4.639 -5.546 11 H ALA 3 H ALA 3 23.193 4.356 -5.977 12 HA ALA 3 HA ALA 3 21.823 6.480 -7.459 13 HB1 ALA 3 1HB ALA 3 19.557 5.808 -6.722 14 HB2 ALA 3 2HB ALA 3 20.273 4.571 -7.770 15 HB3 ALA 3 3HB ALA 3 20.220 4.319 -6.010 16 H MET 4 H MET 4 20.735 7.995 -6.065 17 HA MET 4 HA MET 4 22.107 8.477 -3.514 18 HB2 MET 4 2HB MET 4 19.897 10.058 -4.890 19 HB3 MET 4 3HB MET 4 20.858 10.585 -3.507 20 HG2 MET 4 2HG MET 4 21.903 9.992 -6.304 21 HG3 MET 4 3HG MET 4 21.616 11.588 -5.636 22 HE1 MET 4 3HE MET 4 24.553 12.296 -3.322 23 HE2 MET 4 1HE MET 4 23.285 12.974 -4.363 24 HE3 MET 4 2HE MET 4 22.842 11.989 -2.951 25 H ALA 5 H ALA 5 21.457 7.232 -1.828 26 HA ALA 5 HA ALA 5 18.774 6.251 -1.411 27 HB1 ALA 5 1HB ALA 5 21.127 6.517 0.514 28 HB2 ALA 5 2HB ALA 5 19.664 5.545 0.779 29 HB3 ALA 5 3HB ALA 5 20.779 5.120 -0.533 30 H ASP 6 H ASP 6 17.082 7.102 -0.327 31 HA ASP 6 HA ASP 6 17.355 9.533 1.380 32 HB2 ASP 6 2HB ASP 6 15.594 9.249 -1.073 33 HB3 ASP 6 3HB ASP 6 15.191 10.348 0.243 34 H ILE 7 H ILE 7 17.070 8.204 3.156 35 HA ILE 7 HA ILE 7 14.546 6.711 3.518 36 HB ILE 7 HB ILE 7 15.447 6.087 5.696 37 HG12 ILE 7 2HG1 ILE 7 17.925 7.728 4.987 38 HG13 ILE 7 3HG1 ILE 7 16.718 8.185 6.190 39 HG21 ILE 7 1HG2 ILE 7 17.513 5.685 3.493 40 HG22 ILE 7 2HG2 ILE 7 17.172 4.612 4.865 41 HG23 ILE 7 3HG2 ILE 7 15.966 4.821 3.597 42 HD11 ILE 7 3HD1 ILE 7 18.602 7.220 7.327 43 HD12 ILE 7 1HD1 ILE 7 17.232 6.102 7.474 44 HD13 ILE 7 2HD1 ILE 7 18.551 5.763 6.325 45 H GLY 8 H GLY 8 15.401 9.934 3.919 46 HA2 GLY 8 2HA GLY 8 12.930 10.712 5.177 47 HA3 GLY 8 3HA GLY 8 14.250 10.758 6.349 48 H SER 9 H SER 9 12.572 12.593 4.205 49 HA SER 9 HA SER 9 14.820 14.427 3.474 50 HB2 SER 9 2HB SER 9 13.426 13.608 1.638 51 HB3 SER 9 3HB SER 9 11.985 14.306 2.397 52 HG SER 9 HG SER 9 12.935 15.688 0.803 53 H GLU 10 H GLU 10 11.362 15.074 4.241 54 HA GLU 10 HA GLU 10 12.029 16.594 6.644 55 HB2 GLU 10 2HB GLU 10 11.100 18.698 5.914 56 HB3 GLU 10 3HB GLU 10 12.442 18.256 4.861 57 HG2 GLU 10 2HG GLU 10 10.723 17.380 3.190 58 HG3 GLU 10 3HG GLU 10 9.469 18.086 4.213 59 H PHE 11 H PHE 11 10.128 17.307 7.825 60 HA PHE 11 HA PHE 11 7.454 16.541 6.977 61 HB2 PHE 11 2HB PHE 11 8.318 14.386 7.851 62 HB3 PHE 11 3HB PHE 11 8.783 15.167 9.352 63 HD1 PHE 11 2HD PHE 11 5.700 14.798 7.179 64 HD2 PHE 11 1HD PHE 11 7.348 14.798 11.170 65 HE1 PHE 11 2HE PHE 11 3.467 14.233 8.107 66 HE2 PHE 11 1HE PHE 11 5.117 14.215 12.086 67 HZ PHE 11 HZ PHE 11 3.173 13.938 10.560 68 H GLU 12 H GLU 12 5.869 17.625 8.183 69 HA GLU 12 HA GLU 12 6.620 19.317 10.498 70 HB2 GLU 12 2HB GLU 12 5.221 20.419 8.018 71 HB3 GLU 12 3HB GLU 12 5.447 21.265 9.554 72 HG2 GLU 12 2HG GLU 12 7.975 20.890 9.207 73 HG3 GLU 12 3HG GLU 12 7.567 20.516 7.527 74 H LYS 13 H LYS 13 4.477 20.462 11.272 75 HA LYS 13 HA LYS 13 2.607 18.506 12.156 76 HB2 LYS 13 2HB LYS 13 2.515 21.537 11.958 77 HB3 LYS 13 3HB LYS 13 1.158 20.643 12.609 78 HG2 LYS 13 2HG LYS 13 3.908 20.195 13.812 79 HG3 LYS 13 3HG LYS 13 3.017 21.665 14.165 80 HD2 LYS 13 2HD LYS 13 2.464 20.242 15.939 81 HD3 LYS 13 3HD LYS 13 1.051 20.282 14.905 82 HE2 LYS 13 2HE LYS 13 1.270 18.042 15.592 83 HE3 LYS 13 3HE LYS 13 1.809 18.055 13.918 84 HZ1 LYS 13 3HZ LYS 13 3.325 16.793 15.343 85 HZ2 LYS 13 1HZ LYS 13 3.578 18.075 16.312 86 HZ3 LYS 13 2HZ LYS 13 4.125 18.096 14.774 87 H THR 14 H THR 14 0.591 17.953 11.617 88 HA THR 14 HA THR 14 -0.464 18.582 8.898 89 HB THR 14 HB THR 14 -1.180 16.084 9.021 90 HG1 THR 14 1HG THR 14 0.574 14.952 10.244 91 HG21 THR 14 3HG2 THR 14 1.783 16.715 8.765 92 HG22 THR 14 1HG2 THR 14 0.566 16.911 7.486 93 HG23 THR 14 2HG2 THR 14 0.936 15.297 8.110 94 HA PRO 15 HA PRO 15 -4.300 19.375 10.754 95 HB2 PRO 15 2HB PRO 15 -6.209 18.422 9.014 96 HB3 PRO 15 3HB PRO 15 -5.163 19.836 8.689 97 HG2 PRO 15 2HG PRO 15 -4.754 16.973 7.779 98 HG3 PRO 15 3HG PRO 15 -4.655 18.472 6.800 99 HD2 PRO 15 2HD PRO 15 -2.433 17.294 7.786 100 HD3 PRO 15 3HD PRO 15 -2.581 19.074 7.770 101 H SER 16 H SER 16 -5.444 18.643 12.373 102 HA SER 16 HA SER 16 -6.854 16.103 12.403 103 HB2 SER 16 2HB SER 16 -4.603 15.433 13.276 104 HB3 SER 16 3HB SER 16 -4.771 16.637 14.568 105 HG SER 16 HG SER 16 -5.452 14.555 15.249 106 H LEU 17 H LEU 17 -8.743 16.428 13.468 107 HA LEU 17 HA LEU 17 -9.145 18.948 15.016 108 HB2 LEU 17 2HB LEU 17 -10.528 18.356 12.993 109 HB3 LEU 17 3HB LEU 17 -11.292 17.083 13.925 110 HG LEU 17 HG LEU 17 -11.267 20.041 14.712 111 HD11 LEU 17 1HD1 LEU 17 -13.433 18.442 13.286 112 HD12 LEU 17 2HD1 LEU 17 -12.422 19.715 12.565 113 HD13 LEU 17 3HD1 LEU 17 -13.567 20.125 13.846 114 HD21 LEU 17 3HD2 LEU 17 -12.967 17.710 15.706 115 HD22 LEU 17 1HD2 LEU 17 -13.261 19.419 16.088 116 HD23 LEU 17 2HD2 LEU 17 -11.784 18.648 16.647 117 H THR 18 H THR 18 -10.819 15.837 15.399 118 HA THR 18 HA THR 18 -9.462 15.206 17.939 119 HB THR 18 HB THR 18 -12.510 15.316 17.832 120 HG1 THR 18 1HG THR 18 -12.355 17.067 19.207 121 HG21 THR 18 3HG2 THR 18 -11.631 13.675 19.478 122 HG22 THR 18 1HG2 THR 18 -12.327 15.064 20.303 123 HG23 THR 18 2HG2 THR 18 -10.563 14.919 20.158 124 H ARG 19 H ARG 19 -9.427 12.987 18.276 125 HA ARG 19 HA ARG 19 -9.870 11.153 16.145 126 HB2 ARG 19 2HB ARG 19 -9.290 9.435 17.789 127 HB3 ARG 19 3HB ARG 19 -8.212 10.820 17.879 128 HG2 ARG 19 2HG ARG 19 -9.557 11.621 19.890 129 HG3 ARG 19 3HG ARG 19 -10.465 10.100 19.811 130 HD2 ARG 19 2HD ARG 19 -8.403 8.819 20.171 131 HD3 ARG 19 3HD ARG 19 -7.441 10.300 20.076 132 HE ARG 19 HE ARG 19 -9.544 10.036 22.186 133 HH11 ARG 19 1HH1 ARG 19 -6.117 10.208 21.548 134 HH12 ARG 19 2HH1 ARG 19 -5.742 10.680 23.186 135 HH21 ARG 19 1HH2 ARG 19 -9.009 10.588 24.257 136 HH22 ARG 19 2HH2 ARG 19 -7.343 10.843 24.679 137 H ARG 20 H ARG 20 -12.267 12.395 18.099 138 HA ARG 20 HA ARG 20 -13.896 10.131 18.670 139 HB2 ARG 20 2HB ARG 20 -13.785 12.441 19.751 140 HB3 ARG 20 3HB ARG 20 -14.849 13.019 18.472 141 HG2 ARG 20 2HG ARG 20 -16.658 11.655 19.217 142 HG3 ARG 20 3HG ARG 20 -15.605 10.605 20.175 143 HD2 ARG 20 2HD ARG 20 -16.122 13.540 20.804 144 HD3 ARG 20 3HD ARG 20 -16.980 12.176 21.544 145 HE ARG 20 HE ARG 20 -14.170 11.760 21.851 146 HH11 ARG 20 1HH1 ARG 20 -16.652 13.793 23.227 147 HH12 ARG 20 2HH1 ARG 20 -15.770 14.011 24.718 148 HH21 ARG 20 1HH2 ARG 20 -13.081 12.099 23.730 149 HH22 ARG 20 2HH2 ARG 20 -13.794 13.071 24.982 150 H ILE 21 H ILE 21 -13.759 11.948 15.729 151 HA ILE 21 HA ILE 21 -16.263 10.958 14.587 152 HB ILE 21 HB ILE 21 -15.478 12.998 13.741 153 HG12 ILE 21 2HG1 ILE 21 -14.808 11.014 11.537 154 HG13 ILE 21 3HG1 ILE 21 -16.452 11.370 12.077 155 HG21 ILE 21 1HG2 ILE 21 -13.270 13.281 12.553 156 HG22 ILE 21 2HG2 ILE 21 -13.134 13.005 14.259 157 HG23 ILE 21 3HG2 ILE 21 -12.809 11.684 13.130 158 HD11 ILE 21 3HD1 ILE 21 -16.106 13.771 11.448 159 HD12 ILE 21 1HD1 ILE 21 -14.521 13.325 10.766 160 HD13 ILE 21 2HD1 ILE 21 -15.994 12.637 10.085 161 H ASP 22 H ASP 22 -13.091 9.553 14.996 162 HA ASP 22 HA ASP 22 -13.347 7.865 12.598 163 HB2 ASP 22 2HB ASP 22 -11.083 8.254 14.560 164 HB3 ASP 22 3HB ASP 22 -10.991 7.335 13.055 165 H ASP 23 H ASP 23 -14.998 6.436 13.222 166 HA ASP 23 HA ASP 23 -15.061 4.748 15.471 167 HB2 ASP 23 2HB ASP 23 -16.871 5.113 13.772 168 HB3 ASP 23 3HB ASP 23 -15.990 4.070 12.654 169 H THR 24 H THR 24 -12.995 4.419 12.641 170 HA THR 24 HA THR 24 -12.143 1.776 12.750 171 HB THR 24 HB THR 24 -10.253 4.073 12.224 172 HG1 THR 24 1HG THR 24 -11.129 4.058 10.124 173 HG21 THR 24 3HG2 THR 24 -9.483 2.530 10.416 174 HG22 THR 24 1HG2 THR 24 -10.624 1.298 10.993 175 HG23 THR 24 2HG2 THR 24 -9.275 1.821 12.027 176 H ILE 25 H ILE 25 -11.200 4.438 14.871 177 HA ILE 25 HA ILE 25 -9.020 3.116 16.272 178 HB ILE 25 HB ILE 25 -10.789 5.504 16.882 179 HG12 ILE 25 2HG1 ILE 25 -7.830 5.491 16.166 180 HG13 ILE 25 3HG1 ILE 25 -9.079 5.535 14.929 181 HG21 ILE 25 1HG2 ILE 25 -8.405 4.525 18.490 182 HG22 ILE 25 2HG2 ILE 25 -9.127 6.146 18.631 183 HG23 ILE 25 3HG2 ILE 25 -10.082 4.733 19.045 184 HD11 ILE 25 3HD1 ILE 25 -9.948 7.601 16.362 185 HD12 ILE 25 1HD1 ILE 25 -8.259 7.624 16.892 186 HD13 ILE 25 2HD1 ILE 25 -8.648 7.765 15.169 187 H PHE 26 H PHE 26 -12.516 3.293 16.735 188 HA PHE 26 HA PHE 26 -12.500 2.078 19.387 189 HB2 PHE 26 2HB PHE 26 -14.172 3.779 18.428 190 HB3 PHE 26 3HB PHE 26 -14.879 2.446 17.531 191 HD1 PHE 26 2HD PHE 26 -16.026 0.570 18.773 192 HD2 PHE 26 1HD PHE 26 -14.440 4.028 20.812 193 HE1 PHE 26 2HE PHE 26 -17.340 -0.015 20.798 194 HE2 PHE 26 1HE PHE 26 -15.765 3.444 22.829 195 HZ PHE 26 HZ PHE 26 -17.212 1.419 22.828 196 H GLN 27 H GLN 27 -13.466 0.990 16.114 197 HA GLN 27 HA GLN 27 -14.358 -1.588 16.961 198 HB2 GLN 27 2HB GLN 27 -14.709 -2.067 14.641 199 HB3 GLN 27 3HB GLN 27 -15.135 -0.382 14.932 200 HG2 GLN 27 2HG GLN 27 -12.893 0.288 14.039 201 HG3 GLN 27 3HG GLN 27 -12.534 -1.400 13.690 202 HE21 GLN 27 1HE2 GLN 27 -15.339 0.880 12.974 203 HE22 GLN 27 2HE2 GLN 27 -15.337 0.400 11.283 204 H ASN 28 H ASN 28 -11.099 -0.585 16.304 205 HA ASN 28 HA ASN 28 -10.211 -3.430 16.102 206 HB2 ASN 28 2HB ASN 28 -10.288 -1.932 13.962 207 HB3 ASN 28 3HB ASN 28 -8.809 -1.229 14.590 208 HD21 ASN 28 1HD2 ASN 28 -6.938 -2.738 14.866 209 HD22 ASN 28 2HD2 ASN 28 -6.963 -4.253 13.953 210 HA PRO 29 HA PRO 29 -8.408 -1.611 19.817 211 HB2 PRO 29 2HB PRO 29 -7.637 -3.892 21.158 212 HB3 PRO 29 3HB PRO 29 -9.326 -3.312 21.037 213 HG2 PRO 29 2HG PRO 29 -7.943 -5.390 19.312 214 HG3 PRO 29 3HG PRO 29 -9.535 -5.514 20.130 215 HD2 PRO 29 2HD PRO 29 -9.347 -4.839 17.519 216 HD3 PRO 29 3HD PRO 29 -10.546 -4.030 18.576 217 H MET 30 H MET 30 -6.598 -3.576 17.598 218 HA MET 30 HA MET 30 -3.934 -3.312 18.582 219 HB2 MET 30 2HB MET 30 -5.008 -3.286 15.735 220 HB3 MET 30 3HB MET 30 -3.302 -3.406 16.159 221 HG2 MET 30 2HG MET 30 -3.538 -5.532 17.141 222 HG3 MET 30 3HG MET 30 -5.296 -5.427 17.195 223 HE1 MET 30 3HE MET 30 -3.106 -5.733 13.105 224 HE2 MET 30 1HE MET 30 -3.567 -4.181 13.817 225 HE3 MET 30 2HE MET 30 -2.318 -5.184 14.597 226 H VAL 31 H VAL 31 -6.046 -0.843 17.253 227 HA VAL 31 HA VAL 31 -4.115 1.031 16.336 228 HB VAL 31 HB VAL 31 -6.879 1.466 17.537 229 HG11 VAL 31 1HG1 VAL 31 -5.788 3.579 17.843 230 HG12 VAL 31 2HG1 VAL 31 -4.962 3.465 16.276 231 HG13 VAL 31 3HG1 VAL 31 -6.709 3.706 16.345 232 HG21 VAL 31 3HG2 VAL 31 -5.856 1.587 14.671 233 HG22 VAL 31 1HG2 VAL 31 -6.770 0.240 15.359 234 HG23 VAL 31 2HG2 VAL 31 -7.531 1.815 15.190 235 H GLN 32 H GLN 32 -5.641 0.821 19.546 236 HA GLN 32 HA GLN 32 -4.290 2.957 20.801 237 HB2 GLN 32 2HB GLN 32 -5.392 0.345 21.905 238 HB3 GLN 32 3HB GLN 32 -4.915 1.709 22.917 239 HG2 GLN 32 2HG GLN 32 -6.734 3.015 22.299 240 HG3 GLN 32 3HG GLN 32 -6.874 2.307 20.703 241 HE21 GLN 32 1HE2 GLN 32 -8.909 1.343 20.514 242 HE22 GLN 32 2HE2 GLN 32 -9.577 0.333 21.789 243 H GLU 33 H GLU 33 -3.282 -0.433 20.482 244 HA GLU 33 HA GLU 33 -0.871 -0.270 22.033 245 HB2 GLU 33 2HB GLU 33 -2.017 -2.371 21.485 246 HB3 GLU 33 3HB GLU 33 -1.715 -2.122 19.771 247 HG2 GLU 33 2HG GLU 33 -0.226 -3.787 20.715 248 HG3 GLU 33 3HG GLU 33 0.670 -2.420 20.060 249 H ALA 34 H ALA 34 -1.476 0.442 18.565 250 HA ALA 34 HA ALA 34 1.303 0.758 17.863 251 HB1 ALA 34 1HB ALA 34 -1.157 1.994 16.561 252 HB2 ALA 34 2HB ALA 34 0.464 1.842 15.853 253 HB3 ALA 34 3HB ALA 34 -0.491 0.388 16.202 254 H ILE 35 H ILE 35 -1.185 3.204 18.842 255 HA ILE 35 HA ILE 35 0.636 5.427 18.911 256 HB ILE 35 HB ILE 35 -1.889 4.963 20.537 257 HG12 ILE 35 2HG1 ILE 35 -2.312 7.150 18.874 258 HG13 ILE 35 3HG1 ILE 35 -1.260 6.180 17.861 259 HG21 ILE 35 1HG2 ILE 35 -0.512 6.515 21.827 260 HG22 ILE 35 2HG2 ILE 35 -0.190 7.486 20.370 261 HG23 ILE 35 3HG2 ILE 35 -1.823 7.391 21.061 262 HD11 ILE 35 3HD1 ILE 35 -2.801 4.308 18.035 263 HD12 ILE 35 1HD1 ILE 35 -3.824 5.176 19.195 264 HD13 ILE 35 2HD1 ILE 35 -3.698 5.722 17.509 265 H ARG 36 H ARG 36 -0.073 2.995 21.415 266 HA ARG 36 HA ARG 36 1.470 4.074 23.515 267 HB2 ARG 36 2HB ARG 36 -0.139 2.050 23.494 268 HB3 ARG 36 3HB ARG 36 1.252 1.101 22.963 269 HG2 ARG 36 2HG ARG 36 2.467 1.907 25.060 270 HG3 ARG 36 3HG ARG 36 0.963 2.696 25.544 271 HD2 ARG 36 2HD ARG 36 1.067 0.581 26.687 272 HD3 ARG 36 3HD ARG 36 -0.182 0.455 25.450 273 HE ARG 36 HE ARG 36 1.057 -1.175 24.343 274 HH11 ARG 36 1HH1 ARG 36 3.198 0.200 26.748 275 HH12 ARG 36 2HH1 ARG 36 4.474 -0.924 26.377 276 HH21 ARG 36 1HH2 ARG 36 2.723 -2.430 23.799 277 HH22 ARG 36 2HH2 ARG 36 4.190 -2.420 24.768 278 H MET 37 H MET 37 2.684 2.327 20.685 279 HA MET 37 HA MET 37 5.409 2.094 21.746 280 HB2 MET 37 2HB MET 37 4.487 1.858 18.856 281 HB3 MET 37 3HB MET 37 6.057 1.408 19.530 282 HG2 MET 37 2HG MET 37 4.498 -0.089 21.138 283 HG3 MET 37 3HG MET 37 3.437 0.005 19.735 284 HE1 MET 37 3HE MET 37 6.357 0.168 17.607 285 HE2 MET 37 1HE MET 37 6.032 -1.450 16.966 286 HE3 MET 37 2HE MET 37 4.690 -0.303 17.211 287 H GLY 38 H GLY 38 3.706 4.784 20.539 288 HA2 GLY 38 2HA GLY 38 4.858 6.910 20.856 289 HA3 GLY 38 3HA GLY 38 6.251 6.276 19.986 290 H PHE 39 H PHE 39 3.659 5.168 18.220 291 HA PHE 39 HA PHE 39 3.903 7.173 16.119 292 HB2 PHE 39 2HB PHE 39 1.983 4.869 16.561 293 HB3 PHE 39 3HB PHE 39 2.004 5.868 15.113 294 HD1 PHE 39 2HD PHE 39 4.211 5.997 13.740 295 HD2 PHE 39 1HD PHE 39 3.303 2.875 16.576 296 HE1 PHE 39 2HE PHE 39 5.806 4.476 12.599 297 HE2 PHE 39 1HE PHE 39 4.890 1.370 15.431 298 HZ PHE 39 HZ PHE 39 6.142 2.158 13.446 299 H SER 40 H SER 40 2.056 8.357 15.200 300 HA SER 40 HA SER 40 0.501 9.808 17.246 301 HB2 SER 40 2HB SER 40 0.653 10.187 14.235 302 HB3 SER 40 3HB SER 40 -0.046 11.319 15.405 303 HG SER 40 HG SER 40 2.192 11.721 14.688 304 H PHE 41 H PHE 41 -1.725 9.786 17.455 305 HA PHE 41 HA PHE 41 -3.365 7.671 16.652 306 HB2 PHE 41 2HB PHE 41 -3.825 10.417 17.719 307 HB3 PHE 41 3HB PHE 41 -5.177 9.731 16.852 308 HD1 PHE 41 2HD PHE 41 -6.060 7.421 17.488 309 HD2 PHE 41 1HD PHE 41 -3.439 9.735 20.012 310 HE1 PHE 41 2HE PHE 41 -6.799 6.106 19.463 311 HE2 PHE 41 1HE PHE 41 -4.168 8.399 21.980 312 HZ PHE 41 HZ PHE 41 -5.859 6.596 21.708 313 H LYS 42 H LYS 42 -3.078 10.794 14.991 314 HA LYS 42 HA LYS 42 -4.962 10.256 12.943 315 HB2 LYS 42 2HB LYS 42 -4.293 12.230 11.919 316 HB3 LYS 42 3HB LYS 42 -4.099 12.483 13.635 317 HG2 LYS 42 2HG LYS 42 -2.144 13.435 12.930 318 HG3 LYS 42 3HG LYS 42 -1.583 11.798 13.198 319 HD2 LYS 42 2HD LYS 42 -0.622 12.348 11.176 320 HD3 LYS 42 3HD LYS 42 -2.013 11.446 10.615 321 HE2 LYS 42 2HE LYS 42 -1.874 14.486 10.830 322 HE3 LYS 42 3HE LYS 42 -1.454 13.575 9.377 323 HZ1 LYS 42 3HZ LYS 42 -4.144 13.703 10.612 324 HZ2 LYS 42 1HZ LYS 42 -3.764 12.743 9.327 325 HZ3 LYS 42 2HZ LYS 42 -3.702 14.374 9.217 326 H ASP 43 H ASP 43 -1.620 9.208 13.114 327 HA ASP 43 HA ASP 43 -1.486 8.464 10.267 328 HB2 ASP 43 2HB ASP 43 0.326 7.942 12.646 329 HB3 ASP 43 3HB ASP 43 0.568 7.158 11.091 330 H ILE 44 H ILE 44 -2.223 6.771 13.344 331 HA ILE 44 HA ILE 44 -2.298 4.183 12.100 332 HB ILE 44 HB ILE 44 -4.015 4.739 14.507 333 HG12 ILE 44 2HG1 ILE 44 -2.064 5.789 15.304 334 HG13 ILE 44 3HG1 ILE 44 -2.098 4.171 15.964 335 HG21 ILE 44 1HG2 ILE 44 -4.119 2.524 13.492 336 HG22 ILE 44 2HG2 ILE 44 -2.358 2.379 13.483 337 HG23 ILE 44 3HG2 ILE 44 -3.227 2.401 15.016 338 HD11 ILE 44 3HD1 ILE 44 0.122 4.533 15.413 339 HD12 ILE 44 1HD1 ILE 44 -0.474 3.483 14.137 340 HD13 ILE 44 2HD1 ILE 44 -0.242 5.215 13.815 341 H LYS 45 H LYS 45 -4.963 6.450 12.930 342 HA LYS 45 HA LYS 45 -7.043 4.912 11.694 343 HB2 LYS 45 2HB LYS 45 -8.419 6.892 11.710 344 HB3 LYS 45 3HB LYS 45 -7.532 6.722 13.210 345 HG2 LYS 45 2HG LYS 45 -7.310 8.966 12.905 346 HG3 LYS 45 3HG LYS 45 -5.830 8.384 12.174 347 HD2 LYS 45 2HD LYS 45 -6.656 10.106 10.751 348 HD3 LYS 45 3HD LYS 45 -7.023 8.612 9.888 349 HE2 LYS 45 2HE LYS 45 -9.321 8.695 11.052 350 HE3 LYS 45 3HE LYS 45 -8.905 10.352 11.481 351 HZ1 LYS 45 3HZ LYS 45 -9.106 9.232 8.725 352 HZ2 LYS 45 1HZ LYS 45 -8.646 10.792 9.083 353 HZ3 LYS 45 2HZ LYS 45 -10.146 10.266 9.454 354 H LYS 46 H LYS 46 -4.823 7.260 10.252 355 HA LYS 46 HA LYS 46 -5.984 7.267 7.636 356 HB2 LYS 46 2HB LYS 46 -4.461 9.019 8.444 357 HB3 LYS 46 3HB LYS 46 -3.125 7.869 8.478 358 HG2 LYS 46 2HG LYS 46 -2.964 9.280 6.536 359 HG3 LYS 46 3HG LYS 46 -3.246 7.631 6.020 360 HD2 LYS 46 2HD LYS 46 -5.771 9.164 6.329 361 HD3 LYS 46 3HD LYS 46 -4.638 9.943 5.225 362 HE2 LYS 46 2HE LYS 46 -4.460 7.913 3.878 363 HE3 LYS 46 3HE LYS 46 -5.487 7.032 5.012 364 HZ1 LYS 46 3HZ LYS 46 -6.358 9.389 3.436 365 HZ2 LYS 46 1HZ LYS 46 -7.319 8.515 4.438 366 HZ3 LYS 46 2HZ LYS 46 -6.726 7.841 3.073 367 H ILE 47 H ILE 47 -3.203 5.342 8.904 368 HA ILE 47 HA ILE 47 -2.946 3.982 6.390 369 HB ILE 47 HB ILE 47 -1.181 4.233 8.201 370 HG12 ILE 47 2HG1 ILE 47 -1.503 1.526 6.857 371 HG13 ILE 47 3HG1 ILE 47 -1.036 3.014 6.029 372 HG21 ILE 47 1HG2 ILE 47 -0.900 2.350 9.770 373 HG22 ILE 47 2HG2 ILE 47 -2.378 3.242 10.101 374 HG23 ILE 47 3HG2 ILE 47 -2.450 1.671 9.283 375 HD11 ILE 47 3HD1 ILE 47 0.543 1.553 8.155 376 HD12 ILE 47 1HD1 ILE 47 0.970 1.882 6.462 377 HD13 ILE 47 2HD1 ILE 47 0.916 3.214 7.622 378 H MET 48 H MET 48 -4.926 3.200 9.250 379 HA MET 48 HA MET 48 -5.792 0.636 8.232 380 HB2 MET 48 2HB MET 48 -6.987 2.504 10.308 381 HB3 MET 48 3HB MET 48 -7.742 0.976 9.803 382 HG2 MET 48 2HG MET 48 -5.535 -0.161 10.264 383 HG3 MET 48 3HG MET 48 -5.018 1.313 11.084 384 HE1 MET 48 3HE MET 48 -5.621 -1.380 13.858 385 HE2 MET 48 1HE MET 48 -5.511 -1.970 12.182 386 HE3 MET 48 2HE MET 48 -4.454 -0.651 12.736 387 H GLU 49 H GLU 49 -7.468 3.878 8.020 388 HA GLU 49 HA GLU 49 -9.622 2.843 6.454 389 HB2 GLU 49 2HB GLU 49 -10.145 5.082 5.837 390 HB3 GLU 49 3HB GLU 49 -9.627 5.065 7.531 391 HG2 GLU 49 2HG GLU 49 -7.388 5.844 6.817 392 HG3 GLU 49 3HG GLU 49 -7.939 5.938 5.159 393 H GLU 50 H GLU 50 -6.407 3.989 5.435 394 HA GLU 50 HA GLU 50 -6.807 3.688 2.608 395 HB2 GLU 50 2HB GLU 50 -4.993 4.997 3.711 396 HB3 GLU 50 3HB GLU 50 -4.233 3.491 4.222 397 HG2 GLU 50 2HG GLU 50 -4.750 3.367 1.359 398 HG3 GLU 50 3HG GLU 50 -4.023 4.918 1.722 399 H LYS 51 H LYS 51 -5.264 1.453 4.987 400 HA LYS 51 HA LYS 51 -4.772 -0.736 3.306 401 HB2 LYS 51 2HB LYS 51 -3.911 -0.593 5.574 402 HB3 LYS 51 3HB LYS 51 -5.537 -0.642 6.250 403 HG2 LYS 51 2HG LYS 51 -4.508 -2.770 6.586 404 HG3 LYS 51 3HG LYS 51 -5.822 -2.946 5.447 405 HD2 LYS 51 2HD LYS 51 -4.230 -3.099 3.563 406 HD3 LYS 51 3HD LYS 51 -2.897 -2.711 4.648 407 HE2 LYS 51 2HE LYS 51 -2.764 -5.047 4.383 408 HE3 LYS 51 3HE LYS 51 -3.451 -4.784 5.986 409 HZ1 LYS 51 3HZ LYS 51 -4.904 -5.629 3.535 410 HZ2 LYS 51 1HZ LYS 51 -5.690 -5.191 4.913 411 HZ3 LYS 51 2HZ LYS 51 -4.701 -6.492 4.895 412 H ILE 52 H ILE 52 -7.761 -0.176 5.200 413 HA ILE 52 HA ILE 52 -9.166 -2.472 4.213 414 HB ILE 52 HB ILE 52 -10.295 0.178 5.190 415 HG12 ILE 52 2HG1 ILE 52 -10.100 -2.414 6.772 416 HG13 ILE 52 3HG1 ILE 52 -8.787 -1.253 6.800 417 HG21 ILE 52 1HG2 ILE 52 -11.612 -2.567 4.855 418 HG22 ILE 52 2HG2 ILE 52 -12.369 -1.176 5.653 419 HG23 ILE 52 3HG2 ILE 52 -12.005 -1.099 3.937 420 HD11 ILE 52 3HD1 ILE 52 -10.368 0.520 7.594 421 HD12 ILE 52 1HD1 ILE 52 -11.633 -0.720 7.731 422 HD13 ILE 52 2HD1 ILE 52 -10.169 -0.834 8.713 423 H GLN 53 H GLN 53 -9.208 0.931 3.006 424 HA GLN 53 HA GLN 53 -11.052 0.486 0.907 425 HB2 GLN 53 2HB GLN 53 -10.406 2.680 1.888 426 HB3 GLN 53 3HB GLN 53 -8.827 2.559 1.107 427 HG2 GLN 53 2HG GLN 53 -10.261 4.043 -0.152 428 HG3 GLN 53 3HG GLN 53 -9.952 2.611 -1.123 429 HE21 GLN 53 1HE2 GLN 53 -11.772 1.250 -1.686 430 HE22 GLN 53 2HE2 GLN 53 -13.414 1.722 -1.249 431 H ILE 54 H ILE 54 -7.506 0.223 0.860 432 HA ILE 54 HA ILE 54 -7.379 -0.332 -2.023 433 HB ILE 54 HB ILE 54 -5.290 -0.297 0.179 434 HG12 ILE 54 2HG1 ILE 54 -6.254 1.931 -0.350 435 HG13 ILE 54 3HG1 ILE 54 -4.548 1.803 -0.709 436 HG21 ILE 54 1HG2 ILE 54 -4.417 -1.788 -1.492 437 HG22 ILE 54 2HG2 ILE 54 -4.895 -0.700 -2.810 438 HG23 ILE 54 3HG2 ILE 54 -3.602 -0.237 -1.681 439 HD11 ILE 54 3HD1 ILE 54 -5.035 1.649 -3.121 440 HD12 ILE 54 1HD1 ILE 54 -6.780 1.684 -2.782 441 HD13 ILE 54 2HD1 ILE 54 -5.773 3.086 -2.414 442 H SER 55 H SER 55 -6.703 -2.248 0.932 443 HA SER 55 HA SER 55 -6.089 -4.667 -0.618 444 HB2 SER 55 2HB SER 55 -4.853 -3.836 1.423 445 HB3 SER 55 3HB SER 55 -6.278 -4.262 2.384 446 HG SER 55 HG SER 55 -5.924 -6.456 1.301 447 H GLY 56 H GLY 56 -8.867 -3.482 1.209 448 HA2 GLY 56 2HA GLY 56 -11.045 -4.354 1.099 449 HA3 GLY 56 3HA GLY 56 -10.427 -5.919 0.583 450 H SER 57 H SER 57 -8.512 -5.294 3.167 451 HA SER 57 HA SER 57 -10.409 -5.987 5.342 452 HB2 SER 57 2HB SER 57 -8.993 -7.862 6.074 453 HB3 SER 57 3HB SER 57 -9.672 -8.155 4.467 454 HG SER 57 HG SER 57 -7.447 -8.691 4.563 455 H ASN 58 H ASN 58 -9.664 -5.448 7.427 456 HA ASN 58 HA ASN 58 -7.472 -3.495 7.561 457 HB2 ASN 58 2HB ASN 58 -9.765 -3.457 8.842 458 HB3 ASN 58 3HB ASN 58 -9.005 -4.602 9.942 459 HD21 ASN 58 1HD2 ASN 58 -9.768 -2.379 11.173 460 HD22 ASN 58 2HD2 ASN 58 -8.401 -1.272 11.367 461 H TYR 59 H TYR 59 -5.873 -3.715 9.409 462 HA TYR 59 HA TYR 59 -4.246 -6.083 9.143 463 HB2 TYR 59 2HB TYR 59 -4.152 -3.835 11.192 464 HB3 TYR 59 3HB TYR 59 -2.874 -5.005 10.895 465 HD1 TYR 59 2HD TYR 59 -2.038 -5.177 8.373 466 HD2 TYR 59 1HD TYR 59 -4.025 -1.749 10.072 467 HE1 TYR 59 2HE TYR 59 -0.984 -3.715 6.662 468 HE2 TYR 59 1HE TYR 59 -2.991 -0.297 8.318 469 HH TYR 59 HH TYR 59 -0.673 -1.618 5.932 470 H LYS 60 H LYS 60 -3.995 -7.816 10.405 471 HA LYS 60 HA LYS 60 -5.774 -8.257 12.792 472 HB2 LYS 60 2HB LYS 60 -4.633 -10.186 10.731 473 HB3 LYS 60 3HB LYS 60 -5.429 -10.696 12.221 474 HG2 LYS 60 2HG LYS 60 -7.517 -9.593 11.554 475 HG3 LYS 60 3HG LYS 60 -6.754 -8.982 10.084 476 HD2 LYS 60 2HD LYS 60 -8.105 -10.954 9.564 477 HD3 LYS 60 3HD LYS 60 -6.400 -11.243 9.245 478 HE2 LYS 60 2HE LYS 60 -7.295 -13.228 10.230 479 HE3 LYS 60 3HE LYS 60 -6.206 -12.494 11.401 480 HZ1 LYS 60 3HZ LYS 60 -9.172 -12.283 11.441 481 HZ2 LYS 60 1HZ LYS 60 -8.181 -11.589 12.542 482 HZ3 LYS 60 2HZ LYS 60 -8.278 -13.213 12.435 483 H SER 61 H SER 61 -2.486 -7.905 12.012 484 HA SER 61 HA SER 61 -1.662 -8.947 14.686 485 HB2 SER 61 2HB SER 61 -0.129 -9.408 12.091 486 HB3 SER 61 3HB SER 61 0.423 -9.819 13.721 487 HG SER 61 HG SER 61 -1.752 -10.936 12.263 488 H LEU 62 H LEU 62 -0.052 -7.773 15.690 489 HA LEU 62 HA LEU 62 0.197 -5.003 15.047 490 HB2 LEU 62 2HB LEU 62 1.967 -6.746 16.809 491 HB3 LEU 62 3HB LEU 62 1.972 -4.985 16.793 492 HG LEU 62 HG LEU 62 -0.408 -6.712 17.610 493 HD11 LEU 62 1HD1 LEU 62 1.519 -5.070 19.299 494 HD12 LEU 62 2HD1 LEU 62 1.500 -6.843 19.178 495 HD13 LEU 62 3HD1 LEU 62 0.115 -5.999 19.882 496 HD21 LEU 62 3HD2 LEU 62 -1.339 -4.591 18.498 497 HD22 LEU 62 1HD2 LEU 62 -1.159 -4.535 16.744 498 HD23 LEU 62 2HD2 LEU 62 0.016 -3.694 17.778 499 H GLU 63 H GLU 63 2.382 -7.701 14.341 500 HA GLU 63 HA GLU 63 4.659 -6.370 13.428 501 HB2 GLU 63 2HB GLU 63 3.399 -8.936 12.382 502 HB3 GLU 63 3HB GLU 63 5.017 -8.369 11.949 503 HG2 GLU 63 2HG GLU 63 5.683 -8.423 14.338 504 HG3 GLU 63 3HG GLU 63 4.083 -9.031 14.773 505 H VAL 64 H VAL 64 1.956 -7.393 11.287 506 HA VAL 64 HA VAL 64 3.006 -6.036 8.975 507 HB VAL 64 HB VAL 64 1.513 -7.914 8.755 508 HG11 VAL 64 1HG1 VAL 64 -0.684 -6.151 9.906 509 HG12 VAL 64 2HG1 VAL 64 -0.945 -7.683 9.047 510 HG13 VAL 64 3HG1 VAL 64 -0.049 -7.669 10.564 511 HG21 VAL 64 3HG2 VAL 64 0.295 -5.421 7.530 512 HG22 VAL 64 1HG2 VAL 64 1.694 -6.311 6.906 513 HG23 VAL 64 2HG2 VAL 64 0.103 -7.088 6.956 514 H LEU 65 H LEU 65 0.779 -4.972 11.516 515 HA LEU 65 HA LEU 65 -0.053 -2.520 10.343 516 HB2 LEU 65 2HB LEU 65 -0.655 -3.867 12.653 517 HB3 LEU 65 3HB LEU 65 0.405 -2.646 13.311 518 HG LEU 65 HG LEU 65 -2.310 -2.375 12.058 519 HD11 LEU 65 1HD1 LEU 65 -1.918 -2.584 14.544 520 HD12 LEU 65 2HD1 LEU 65 -2.748 -1.121 14.107 521 HD13 LEU 65 3HD1 LEU 65 -1.059 -1.086 14.492 522 HD21 LEU 65 3HD2 LEU 65 -2.132 0.095 12.047 523 HD22 LEU 65 1HD2 LEU 65 -1.140 -0.654 10.801 524 HD23 LEU 65 2HD2 LEU 65 -0.373 -0.060 12.282 525 H VAL 66 H VAL 66 2.612 -3.110 12.697 526 HA VAL 66 HA VAL 66 3.563 -0.388 12.571 527 HB VAL 66 HB VAL 66 5.317 -0.985 14.040 528 HG11 VAL 66 1HG1 VAL 66 2.697 -2.367 14.762 529 HG12 VAL 66 2HG1 VAL 66 3.980 -1.996 15.896 530 HG13 VAL 66 3HG1 VAL 66 3.144 -0.678 15.049 531 HG21 VAL 66 3HG2 VAL 66 6.143 -3.084 13.165 532 HG22 VAL 66 1HG2 VAL 66 5.681 -3.295 14.855 533 HG23 VAL 66 2HG2 VAL 66 4.625 -3.901 13.570 534 H ALA 67 H ALA 67 4.612 -3.325 10.879 535 HA ALA 67 HA ALA 67 6.930 -2.214 9.619 536 HB1 ALA 67 1HB ALA 67 6.584 -4.024 7.971 537 HB2 ALA 67 2HB ALA 67 6.424 -4.617 9.635 538 HB3 ALA 67 3HB ALA 67 4.971 -4.340 8.645 539 H ASP 68 H ASP 68 3.481 -2.317 8.519 540 HA ASP 68 HA ASP 68 3.952 -0.728 6.171 541 HB2 ASP 68 2HB ASP 68 1.457 -1.430 7.736 542 HB3 ASP 68 3HB ASP 68 1.433 -0.293 6.399 543 H LEU 69 H LEU 69 3.046 0.252 9.513 544 HA LEU 69 HA LEU 69 2.715 3.027 9.022 545 HB2 LEU 69 2HB LEU 69 3.673 1.480 11.434 546 HB3 LEU 69 3HB LEU 69 3.634 3.229 11.456 547 HG LEU 69 HG LEU 69 1.150 1.630 10.771 548 HD11 LEU 69 1HD1 LEU 69 0.474 1.868 13.098 549 HD12 LEU 69 2HD1 LEU 69 2.016 2.656 13.508 550 HD13 LEU 69 3HD1 LEU 69 1.964 0.950 13.019 551 HD21 LEU 69 3HD2 LEU 69 0.022 3.704 11.548 552 HD22 LEU 69 1HD2 LEU 69 1.097 4.041 10.188 553 HD23 LEU 69 2HD2 LEU 69 1.599 4.460 11.839 554 H VAL 70 H VAL 70 5.808 1.396 9.974 555 HA VAL 70 HA VAL 70 7.319 3.822 9.627 556 HB VAL 70 HB VAL 70 9.351 2.568 9.655 557 HG11 VAL 70 1HG1 VAL 70 9.172 1.675 11.887 558 HG12 VAL 70 2HG1 VAL 70 8.127 3.100 11.762 559 HG13 VAL 70 3HG1 VAL 70 7.421 1.468 11.720 560 HG21 VAL 70 3HG2 VAL 70 9.427 0.139 9.982 561 HG22 VAL 70 1HG2 VAL 70 7.686 0.028 9.685 562 HG23 VAL 70 2HG2 VAL 70 8.787 0.535 8.385 563 H ASN 71 H ASN 71 6.584 1.208 7.315 564 HA ASN 71 HA ASN 71 8.163 2.202 5.152 565 HB2 ASN 71 2HB ASN 71 7.193 -0.069 5.278 566 HB3 ASN 71 3HB ASN 71 5.568 0.602 5.136 567 HD21 ASN 71 1HD2 ASN 71 4.734 0.679 3.050 568 HD22 ASN 71 2HD2 ASN 71 5.755 0.624 1.619 569 H ALA 72 H ALA 72 4.779 2.963 6.073 570 HA ALA 72 HA ALA 72 4.218 4.703 3.877 571 HB1 ALA 72 1HB ALA 72 3.001 4.556 6.671 572 HB2 ALA 72 2HB ALA 72 2.308 5.413 5.277 573 HB3 ALA 72 3HB ALA 72 2.476 3.649 5.235 574 H GLN 73 H GLN 73 5.161 5.544 7.279 575 HA GLN 73 HA GLN 73 5.191 8.340 6.723 576 HB2 GLN 73 2HB GLN 73 5.990 8.674 8.916 577 HB3 GLN 73 3HB GLN 73 4.892 7.292 8.953 578 HG2 GLN 73 2HG GLN 73 6.939 5.789 8.873 579 HG3 GLN 73 3HG GLN 73 7.943 7.224 9.023 580 HE21 GLN 73 1HE2 GLN 73 8.749 6.003 11.008 581 HE22 GLN 73 2HE2 GLN 73 7.810 6.247 12.478 582 H LYS 74 H LYS 74 7.682 6.012 6.096 583 HA LYS 74 HA LYS 74 9.930 7.805 5.692 584 HB2 LYS 74 2HB LYS 74 9.170 5.048 4.681 585 HB3 LYS 74 3HB LYS 74 10.584 5.878 4.041 586 HG2 LYS 74 2HG LYS 74 11.636 6.002 6.203 587 HG3 LYS 74 3HG LYS 74 10.205 5.356 7.014 588 HD2 LYS 74 2HD LYS 74 10.438 3.224 5.782 589 HD3 LYS 74 3HD LYS 74 11.826 3.878 4.886 590 HE2 LYS 74 2HE LYS 74 13.064 4.150 7.027 591 HE3 LYS 74 3HE LYS 74 11.691 3.465 7.907 592 HZ1 LYS 74 3HZ LYS 74 12.007 1.396 6.650 593 HZ2 LYS 74 1HZ LYS 74 13.386 1.781 7.430 594 HZ3 LYS 74 2HZ LYS 74 13.263 2.034 5.824 595 H ASP 75 H ASP 75 7.040 7.359 3.823 596 HA ASP 75 HA ASP 75 8.230 8.785 1.471 597 HB2 ASP 75 2HB ASP 75 6.287 6.483 1.639 598 HB3 ASP 75 3HB ASP 75 6.246 7.600 0.276 599 H SER 76 H SER 76 7.819 10.807 2.105 600 HA SER 76 HA SER 76 5.014 11.740 2.506 601 HB2 SER 76 2HB SER 76 6.080 13.722 3.515 602 HB3 SER 76 3HB SER 76 6.551 12.228 4.333 603 HG SER 76 HG SER 76 8.537 12.750 3.897 604 H MET 77 H MET 77 4.907 14.182 1.780 605 HA MET 77 HA MET 77 5.972 14.554 -0.975 606 HB2 MET 77 2HB MET 77 3.762 15.448 -1.655 607 HB3 MET 77 3HB MET 77 3.767 13.727 -1.339 608 HG2 MET 77 2HG MET 77 2.881 15.714 0.778 609 HG3 MET 77 3HG MET 77 1.793 15.203 -0.500 610 HE1 MET 77 3HE MET 77 2.208 12.131 -0.963 611 HE2 MET 77 1HE MET 77 1.043 11.487 0.207 612 HE3 MET 77 2HE MET 77 0.638 12.934 -0.740 613 H GLN 78 H GLN 78 5.631 16.789 -1.764 614 HA GLN 78 HA GLN 78 6.937 18.707 -0.111 615 HB2 GLN 78 2HB GLN 78 5.394 18.967 -2.720 616 HB3 GLN 78 3HB GLN 78 6.281 20.297 -1.986 617 HG2 GLN 78 2HG GLN 78 7.529 17.646 -2.843 618 HG3 GLN 78 3HG GLN 78 7.533 19.117 -3.805 619 HE21 GLN 78 1HE2 GLN 78 9.872 17.563 -2.685 620 HE22 GLN 78 2HE2 GLN 78 10.723 18.769 -1.721 621 H ASP 79 H ASP 79 6.040 19.431 1.712 622 HA ASP 79 HA ASP 79 3.552 21.030 1.577 623 HB2 ASP 79 2HB ASP 79 2.889 18.767 2.364 624 HB3 ASP 79 3HB ASP 79 4.090 18.864 3.654 625 H GLU 80 H GLU 80 3.650 22.862 2.785 626 HA GLU 80 HA GLU 80 5.680 23.223 4.883 627 HB2 GLU 80 2HB GLU 80 6.475 25.353 3.912 628 HB3 GLU 80 3HB GLU 80 6.968 23.924 3.016 629 HG2 GLU 80 2HG GLU 80 5.248 24.370 1.293 630 HG3 GLU 80 3HG GLU 80 4.685 25.776 2.197 631 H SER 81 H SER 81 4.947 24.397 6.554 632 HA SER 81 HA SER 81 3.132 26.646 6.119 633 HB2 SER 81 2HB SER 81 1.413 25.969 7.725 634 HB3 SER 81 3HB SER 81 1.458 24.889 6.332 635 HG SER 81 HG SER 81 2.576 23.373 7.574 636 H SER 82 H SER 82 2.933 28.055 7.903 637 HA SER 82 HA SER 82 5.051 27.789 10.017 638 HB2 SER 82 2HB SER 82 4.151 30.287 8.549 639 HB3 SER 82 3HB SER 82 5.263 30.238 9.930 640 HG SER 82 HG SER 82 5.640 29.028 7.370 641 H GLN 83 H GLN 83 3.670 26.889 11.493 642 HA GLN 83 HA GLN 83 1.492 28.633 12.587 643 HB2 GLN 83 2HB GLN 83 0.346 26.623 13.297 644 HB3 GLN 83 3HB GLN 83 0.601 26.634 11.558 645 HG2 GLN 83 2HG GLN 83 2.297 24.942 11.680 646 HG3 GLN 83 3HG GLN 83 2.478 25.129 13.429 647 HE21 GLN 83 1HE2 GLN 83 -0.022 24.160 10.962 648 HE22 GLN 83 2HE2 GLN 83 -0.777 23.012 12.065 649 H THR 84 H THR 84 4.575 27.993 13.350 650 HA THR 84 HA THR 84 4.483 27.179 16.117 651 HB THR 84 HB THR 84 6.823 28.188 16.149 652 HG1 THR 84 1HG THR 84 6.556 29.681 14.455 653 HG21 THR 84 3HG2 THR 84 6.424 25.799 15.637 654 HG22 THR 84 1HG2 THR 84 7.797 26.455 14.728 655 HG23 THR 84 2HG2 THR 84 6.239 26.196 13.913 656 H SER 85 H SER 85 4.475 28.334 17.991 657 HA SER 85 HA SER 85 4.683 31.270 18.005 658 HB2 SER 85 2HB SER 85 2.635 31.509 19.398 659 HB3 SER 85 3HB SER 85 2.325 31.063 17.715 660 HG SER 85 HG SER 85 1.045 29.839 19.159 661 H LEU 86 H LEU 86 5.923 31.900 19.620 662 HA LEU 86 HA LEU 86 6.782 30.019 21.728 663 HB2 LEU 86 2HB LEU 86 7.626 32.871 21.032 664 HB3 LEU 86 3HB LEU 86 8.241 31.947 22.392 665 HG LEU 86 HG LEU 86 9.006 30.161 20.709 666 HD11 LEU 86 1HD1 LEU 86 8.581 32.489 18.776 667 HD12 LEU 86 2HD1 LEU 86 7.865 30.861 18.657 668 HD13 LEU 86 3HD1 LEU 86 9.596 31.071 18.446 669 HD21 LEU 86 3HD2 LEU 86 11.081 31.408 20.241 670 HD22 LEU 86 1HD2 LEU 86 10.525 31.685 21.896 671 HD23 LEU 86 2HD2 LEU 86 10.266 32.935 20.656 672 H GLN 87 H GLN 87 6.662 30.485 23.951 673 HA GLN 87 HA GLN 87 4.767 32.575 24.914 674 HB2 GLN 87 2HB GLN 87 4.495 29.605 25.544 675 HB3 GLN 87 3HB GLN 87 3.687 30.905 26.432 676 HG2 GLN 87 2HG GLN 87 2.589 31.636 24.303 677 HG3 GLN 87 3HG GLN 87 3.273 30.225 23.488 678 HE21 GLN 87 1HE2 GLN 87 0.367 31.030 24.127 679 HE22 GLN 87 2HE2 GLN 87 -0.245 29.593 24.942 680 H LYS 88 H LYS 88 6.582 29.814 26.280 681 HA LYS 88 HA LYS 88 8.197 31.613 28.026 682 HB2 LYS 88 2HB LYS 88 6.485 29.241 28.894 683 HB3 LYS 88 3HB LYS 88 7.800 29.845 29.885 684 HG2 LYS 88 2HG LYS 88 5.412 31.538 29.046 685 HG3 LYS 88 3HG LYS 88 5.554 30.649 30.562 686 HD2 LYS 88 2HD LYS 88 7.583 31.969 31.165 687 HD3 LYS 88 3HD LYS 88 7.442 32.865 29.650 688 HE2 LYS 88 2HE LYS 88 6.543 34.243 31.361 689 HE3 LYS 88 3HE LYS 88 5.209 33.705 30.340 690 HZ1 LYS 88 3HZ LYS 88 4.685 33.551 32.720 691 HZ2 LYS 88 1HZ LYS 88 5.919 32.520 32.978 692 HZ3 LYS 88 2HZ LYS 88 4.646 32.065 32.055 693 H GLU 89 H GLU 89 9.926 30.383 29.135 694 HA GLU 89 HA GLU 89 11.283 28.513 27.219 695 HB2 GLU 89 2HB GLU 89 12.497 30.705 28.943 696 HB3 GLU 89 3HB GLU 89 13.372 29.616 27.852 697 HG2 GLU 89 2HG GLU 89 12.031 30.536 25.934 698 HG3 GLU 89 3HG GLU 89 11.314 31.713 27.037 699 H ILE 90 H ILE 90 9.877 27.102 28.786 700 HA ILE 90 HA ILE 90 11.543 26.176 31.101 701 HB ILE 90 HB ILE 90 8.512 26.347 31.072 702 HG12 ILE 90 2HG1 ILE 90 10.493 28.116 32.579 703 HG13 ILE 90 3HG1 ILE 90 9.534 28.621 31.189 704 HG21 ILE 90 1HG2 ILE 90 9.509 24.488 32.461 705 HG22 ILE 90 2HG2 ILE 90 10.477 25.693 33.329 706 HG23 ILE 90 3HG2 ILE 90 8.706 25.693 33.445 707 HD11 ILE 90 3HD1 ILE 90 7.440 28.163 32.469 708 HD12 ILE 90 1HD1 ILE 90 8.440 27.881 33.916 709 HD13 ILE 90 2HD1 ILE 90 8.453 29.463 33.127 710 H SER 91 H SER 91 12.467 24.545 29.936 711 HA SER 91 HA SER 91 10.818 22.113 29.478 712 HB2 SER 91 2HB SER 91 12.619 23.387 27.386 713 HB3 SER 91 3HB SER 91 12.050 21.712 27.306 714 HG SER 91 HG SER 91 9.905 22.502 27.273 715 H THR 92 H THR 92 11.739 20.909 31.061 716 HA THR 92 HA THR 92 14.485 20.927 31.805 717 HB THR 92 HB THR 92 12.588 20.108 33.183 718 HG1 THR 92 1HG THR 92 14.793 18.354 32.892 719 HG21 THR 92 3HG2 THR 92 12.885 17.484 31.658 720 HG22 THR 92 1HG2 THR 92 11.487 18.578 31.563 721 HG23 THR 92 2HG2 THR 92 11.889 17.788 33.093 722 H GLU 93 H GLU 93 12.973 19.178 29.171 723 HA GLU 93 HA GLU 93 15.271 17.424 28.647 724 HB2 GLU 93 2HB GLU 93 12.864 18.268 26.981 725 HB3 GLU 93 3HB GLU 93 14.092 17.146 26.406 726 HG2 GLU 93 2HG GLU 93 12.362 16.703 28.878 727 HG3 GLU 93 3HG GLU 93 12.057 16.022 27.286 728 H GLU 94 H GLU 94 14.376 20.712 27.709 729 HA GLU 94 HA GLU 94 16.363 20.857 25.543 730 HB2 GLU 94 2HB GLU 94 14.143 22.071 25.550 731 HB3 GLU 94 3HB GLU 94 14.793 23.121 26.824 732 HG2 GLU 94 2HG GLU 94 16.562 23.907 25.310 733 HG3 GLU 94 3HG GLU 94 16.075 22.721 24.092 734 H GLN 95 H GLN 95 16.265 21.618 28.983 735 HA GLN 95 HA GLN 95 18.336 23.500 29.083 736 HB2 GLN 95 2HB GLN 95 18.238 23.355 31.366 737 HB3 GLN 95 3HB GLN 95 16.673 22.756 30.884 738 HG2 GLN 95 2HG GLN 95 17.191 21.196 32.481 739 HG3 GLN 95 3HG GLN 95 17.810 20.371 31.059 740 HE21 GLN 95 1HE2 GLN 95 19.352 19.109 32.309 741 HE22 GLN 95 2HE2 GLN 95 20.734 19.908 33.052 742 H LEU 96 H LEU 96 18.738 20.159 28.403 743 HA LEU 96 HA LEU 96 21.509 19.773 29.053 744 HB2 LEU 96 2HB LEU 96 19.647 18.641 26.925 745 HB3 LEU 96 3HB LEU 96 21.334 18.189 26.991 746 HG LEU 96 HG LEU 96 19.931 16.503 27.995 747 HD11 LEU 96 1HD1 LEU 96 21.637 17.831 30.137 748 HD12 LEU 96 2HD1 LEU 96 22.249 16.808 28.816 749 HD13 LEU 96 3HD1 LEU 96 21.166 16.126 30.038 750 HD21 LEU 96 3HD2 LEU 96 19.238 18.458 30.210 751 HD22 LEU 96 1HD2 LEU 96 18.767 16.756 30.091 752 HD23 LEU 96 2HD2 LEU 96 18.123 17.925 28.932 753 H ARG 97 H ARG 97 19.974 21.589 26.447 754 HA ARG 97 HA ARG 97 22.372 22.020 24.833 755 HB2 ARG 97 2HB ARG 97 19.780 23.622 25.006 756 HB3 ARG 97 3HB ARG 97 21.039 23.825 23.789 757 HG2 ARG 97 2HG ARG 97 20.674 21.508 22.987 758 HG3 ARG 97 3HG ARG 97 19.362 21.304 24.169 759 HD2 ARG 97 2HD ARG 97 18.131 23.179 23.159 760 HD3 ARG 97 3HD ARG 97 19.447 23.447 22.003 761 HE ARG 97 HE ARG 97 18.669 20.765 21.678 762 HH11 ARG 97 1HH1 ARG 97 17.076 23.848 21.251 763 HH12 ARG 97 2HH1 ARG 97 16.131 23.283 19.904 764 HH21 ARG 97 1HH2 ARG 97 17.421 20.089 19.973 765 HH22 ARG 97 2HH2 ARG 97 16.324 21.202 19.209 766 H ARG 98 H ARG 98 21.277 23.432 27.805 767 HA ARG 98 HA ARG 98 22.792 25.923 27.658 768 HB2 ARG 98 2HB ARG 98 20.867 25.336 29.272 769 HB3 ARG 98 3HB ARG 98 22.058 24.401 30.191 770 HG2 ARG 98 2HG ARG 98 23.457 26.513 30.363 771 HG3 ARG 98 3HG ARG 98 22.122 27.391 29.608 772 HD2 ARG 98 2HD ARG 98 22.036 25.835 32.232 773 HD3 ARG 98 3HD ARG 98 22.124 27.585 32.091 774 HE ARG 98 HE ARG 98 19.768 25.887 31.810 775 HH11 ARG 98 1HH1 ARG 98 20.971 29.060 30.953 776 HH12 ARG 98 2HH1 ARG 98 19.367 29.722 30.793 777 HH21 ARG 98 1HH2 ARG 98 17.762 26.789 31.605 778 HH22 ARG 98 2HH2 ARG 98 17.603 28.458 31.151 779 H LEU 99 H LEU 99 23.459 22.677 28.844 780 HA LEU 99 HA LEU 99 26.221 23.154 29.658 781 HB2 LEU 99 2HB LEU 99 24.551 20.653 29.176 782 HB3 LEU 99 3HB LEU 99 26.280 20.579 29.478 783 HG LEU 99 HG LEU 99 26.006 21.668 31.663 784 HD11 LEU 99 1HD1 LEU 99 23.972 22.982 31.423 785 HD12 LEU 99 2HD1 LEU 99 23.727 21.787 32.691 786 HD13 LEU 99 3HD1 LEU 99 23.013 21.517 31.086 787 HD21 LEU 99 3HD2 LEU 99 24.955 19.745 32.777 788 HD22 LEU 99 1HD2 LEU 99 25.971 19.207 31.433 789 HD23 LEU 99 2HD2 LEU 99 24.204 19.244 31.244 790 H GLN 100 H GLN 100 24.847 21.285 26.899 791 HA GLN 100 HA GLN 100 27.396 21.582 25.424 792 HB2 GLN 100 2HB GLN 100 26.088 19.412 25.699 793 HB3 GLN 100 3HB GLN 100 24.950 20.026 24.509 794 HG2 GLN 100 2HG GLN 100 27.972 19.811 24.037 795 HG3 GLN 100 3HG GLN 100 26.865 18.488 23.724 796 HE21 GLN 100 1HE2 GLN 100 28.198 21.428 22.352 797 HE22 GLN 100 2HE2 GLN 100 27.195 21.360 20.919 798 H GLU 101 H GLU 101 27.047 23.918 25.408 799 HA GLU 101 HA GLU 101 25.097 25.113 23.603 800 HB2 GLU 101 2HB GLU 101 26.227 27.185 24.039 801 HB3 GLU 101 3HB GLU 101 26.006 26.305 25.547 802 HG2 GLU 101 2HG GLU 101 28.397 25.548 25.427 803 HG3 GLU 101 3HG GLU 101 28.605 26.500 23.956 804 H GLU 102 H GLU 102 25.889 26.624 21.810 805 HA GLU 102 HA GLU 102 26.880 25.049 19.676 806 HB2 GLU 102 2HB GLU 102 25.287 26.927 19.490 807 HB3 GLU 102 3HB GLU 102 26.596 28.073 19.805 808 HG2 GLU 102 2HG GLU 102 27.754 27.340 17.752 809 HG3 GLU 102 3HG GLU 102 26.567 26.061 17.508 810 H LYS 103 H LYS 103 28.848 24.281 19.582 811 HA LYS 103 HA LYS 103 31.256 25.388 20.628 812 HB2 LYS 103 2HB LYS 103 30.832 23.022 20.292 813 HB3 LYS 103 3HB LYS 103 30.740 23.211 18.549 814 HG2 LYS 103 2HG LYS 103 33.279 23.976 20.024 815 HG3 LYS 103 3HG LYS 103 32.891 22.277 19.751 816 HD2 LYS 103 2HD LYS 103 32.689 22.715 17.297 817 HD3 LYS 103 3HD LYS 103 33.276 24.358 17.550 818 HE2 LYS 103 2HE LYS 103 34.779 21.810 18.293 819 HE3 LYS 103 3HE LYS 103 35.023 22.731 16.808 820 HZ1 LYS 103 3HZ LYS 103 35.521 23.766 19.548 821 HZ2 LYS 103 1HZ LYS 103 35.704 24.637 18.175 822 HZ3 LYS 103 2HZ LYS 103 36.662 23.349 18.462 823 H LEU 104 H LEU 104 29.963 25.513 17.366 824 HA LEU 104 HA LEU 104 32.250 26.587 16.003 825 HB2 LEU 104 2HB LEU 104 29.275 26.492 15.376 826 HB3 LEU 104 3HB LEU 104 30.421 27.226 14.270 827 HG LEU 104 HG LEU 104 30.713 24.342 15.207 828 HD11 LEU 104 1HD1 LEU 104 29.709 23.715 13.043 829 HD12 LEU 104 2HD1 LEU 104 29.357 25.425 12.703 830 HD13 LEU 104 3HD1 LEU 104 28.560 24.596 14.061 831 HD21 LEU 104 3HD2 LEU 104 32.759 25.371 14.250 832 HD22 LEU 104 1HD2 LEU 104 31.839 25.869 12.814 833 HD23 LEU 104 2HD2 LEU 104 32.094 24.146 13.164 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 18.938 22.869 -9.339 2 H2 GLY 1 2H GLY 1 18.865 22.082 -10.775 3 H3 GLY 1 3H GLY 1 20.261 22.796 -10.298 4 HA2 GLY 1 2HA GLY 1 19.372 20.188 -9.788 5 HA3 GLY 1 3HA GLY 1 20.944 20.906 -9.405 6 H SER 2 H SER 2 19.447 19.018 -7.810 7 HA SER 2 HA SER 2 18.274 20.433 -5.525 8 HB2 SER 2 2HB SER 2 18.903 17.487 -5.930 9 HB3 SER 2 3HB SER 2 17.931 18.181 -4.619 10 HG SER 2 HG SER 2 16.420 18.882 -6.164 11 H ALA 3 H ALA 3 20.150 21.727 -4.998 12 HA ALA 3 HA ALA 3 22.634 20.683 -4.051 13 HB1 ALA 3 1HB ALA 3 21.178 23.303 -3.491 14 HB2 ALA 3 2HB ALA 3 22.849 22.954 -2.995 15 HB3 ALA 3 3HB ALA 3 22.425 22.991 -4.720 16 H MET 4 H MET 4 20.055 22.086 -2.007 17 HA MET 4 HA MET 4 20.883 20.416 0.323 18 HB2 MET 4 2HB MET 4 18.853 22.686 0.135 19 HB3 MET 4 3HB MET 4 19.368 21.851 1.608 20 HG2 MET 4 2HG MET 4 21.705 22.617 1.200 21 HG3 MET 4 3HG MET 4 21.135 23.562 -0.183 22 HE1 MET 4 3HE MET 4 22.733 25.243 1.416 23 HE2 MET 4 1HE MET 4 22.121 25.976 2.917 24 HE3 MET 4 2HE MET 4 22.636 24.276 2.907 25 H ALA 5 H ALA 5 19.207 19.331 1.579 26 HA ALA 5 HA ALA 5 16.565 18.884 0.431 27 HB1 ALA 5 1HB ALA 5 17.980 17.142 -0.696 28 HB2 ALA 5 2HB ALA 5 18.440 16.522 0.904 29 HB3 ALA 5 3HB ALA 5 16.744 16.447 0.366 30 H ASP 6 H ASP 6 15.120 17.814 1.982 31 HA ASP 6 HA ASP 6 16.107 17.555 4.768 32 HB2 ASP 6 2HB ASP 6 15.205 19.921 4.255 33 HB3 ASP 6 3HB ASP 6 13.609 19.182 4.243 34 H ILE 7 H ILE 7 15.841 15.441 4.840 35 HA ILE 7 HA ILE 7 13.144 14.208 4.549 36 HB ILE 7 HB ILE 7 14.248 12.245 3.465 37 HG12 ILE 7 2HG1 ILE 7 16.660 13.106 4.050 38 HG13 ILE 7 3HG1 ILE 7 16.340 12.176 2.601 39 HG21 ILE 7 1HG2 ILE 7 14.126 13.158 1.209 40 HG22 ILE 7 2HG2 ILE 7 12.799 13.719 2.237 41 HG23 ILE 7 3HG2 ILE 7 14.142 14.813 1.860 42 HD11 ILE 7 3HD1 ILE 7 17.902 14.080 2.250 43 HD12 ILE 7 1HD1 ILE 7 16.488 14.126 1.187 44 HD13 ILE 7 2HD1 ILE 7 16.586 15.207 2.596 45 H GLY 8 H GLY 8 13.829 14.870 6.972 46 HA2 GLY 8 2HA GLY 8 14.170 12.287 8.351 47 HA3 GLY 8 3HA GLY 8 15.466 13.442 8.640 48 H SER 9 H SER 9 12.679 12.275 9.882 49 HA SER 9 HA SER 9 12.176 14.673 11.594 50 HB2 SER 9 2HB SER 9 9.986 12.882 10.470 51 HB3 SER 9 3HB SER 9 9.789 14.264 11.558 52 HG SER 9 HG SER 9 10.362 14.199 8.816 53 H GLU 10 H GLU 10 12.163 14.250 13.679 54 HA GLU 10 HA GLU 10 12.034 11.425 14.683 55 HB2 GLU 10 2HB GLU 10 13.378 12.203 16.564 56 HB3 GLU 10 3HB GLU 10 14.189 12.460 15.020 57 HG2 GLU 10 2HG GLU 10 13.605 14.855 15.063 58 HG3 GLU 10 3HG GLU 10 12.682 14.632 16.544 59 H PHE 11 H PHE 11 10.416 14.462 14.901 60 HA PHE 11 HA PHE 11 8.507 13.394 16.928 61 HB2 PHE 11 2HB PHE 11 9.898 16.081 16.905 62 HB3 PHE 11 3HB PHE 11 8.277 15.922 17.559 63 HD1 PHE 11 2HD PHE 11 7.818 14.133 19.349 64 HD2 PHE 11 1HD PHE 11 11.753 15.597 18.368 65 HE1 PHE 11 2HE PHE 11 8.656 13.359 21.553 66 HE2 PHE 11 1HE PHE 11 12.593 14.806 20.562 67 HZ PHE 11 HZ PHE 11 11.047 13.688 22.161 68 H GLU 12 H GLU 12 7.022 12.788 15.443 69 HA GLU 12 HA GLU 12 5.925 14.765 13.517 70 HB2 GLU 12 2HB GLU 12 6.258 12.482 12.771 71 HB3 GLU 12 3HB GLU 12 5.207 11.855 14.057 72 HG2 GLU 12 2HG GLU 12 3.256 12.801 13.085 73 HG3 GLU 12 3HG GLU 12 4.187 13.944 12.114 74 H LYS 13 H LYS 13 3.999 15.753 13.729 75 HA LYS 13 HA LYS 13 2.070 15.043 15.840 76 HB2 LYS 13 2HB LYS 13 3.730 16.808 16.716 77 HB3 LYS 13 3HB LYS 13 3.035 17.927 15.537 78 HG2 LYS 13 2HG LYS 13 0.824 17.717 16.635 79 HG3 LYS 13 3HG LYS 13 1.449 16.431 17.676 80 HD2 LYS 13 2HD LYS 13 1.363 18.375 19.010 81 HD3 LYS 13 3HD LYS 13 3.075 18.107 18.659 82 HE2 LYS 13 2HE LYS 13 2.996 19.851 16.897 83 HE3 LYS 13 3HE LYS 13 1.255 20.047 17.151 84 HZ1 LYS 13 3HZ LYS 13 1.745 20.788 19.428 85 HZ2 LYS 13 1HZ LYS 13 2.493 21.749 18.345 86 HZ3 LYS 13 2HZ LYS 13 3.351 20.639 19.176 87 H THR 14 H THR 14 -0.036 16.000 15.432 88 HA THR 14 HA THR 14 -0.504 16.787 12.583 89 HB THR 14 HB THR 14 -1.300 14.514 13.146 90 HG1 THR 14 1HG THR 14 -3.437 14.960 12.308 91 HG21 THR 14 3HG2 THR 14 -3.318 14.168 14.444 92 HG22 THR 14 1HG2 THR 14 -3.429 15.889 14.838 93 HG23 THR 14 2HG2 THR 14 -2.099 14.904 15.488 94 HA PRO 15 HA PRO 15 -2.264 20.480 14.418 95 HB2 PRO 15 2HB PRO 15 -3.659 21.531 12.304 96 HB3 PRO 15 3HB PRO 15 -1.875 21.549 12.420 97 HG2 PRO 15 2HG PRO 15 -3.620 19.573 10.920 98 HG3 PRO 15 3HG PRO 15 -2.160 20.432 10.333 99 HD2 PRO 15 2HD PRO 15 -2.050 17.884 11.268 100 HD3 PRO 15 3HD PRO 15 -0.726 19.042 11.586 101 H SER 16 H SER 16 -4.026 20.869 15.628 102 HA SER 16 HA SER 16 -6.372 19.064 15.478 103 HB2 SER 16 2HB SER 16 -5.621 21.163 17.548 104 HB3 SER 16 3HB SER 16 -6.996 20.045 17.636 105 HG SER 16 HG SER 16 -4.217 19.409 17.650 106 H LEU 17 H LEU 17 -7.107 20.002 13.421 107 HA LEU 17 HA LEU 17 -8.200 22.721 13.438 108 HB2 LEU 17 2HB LEU 17 -7.153 21.451 11.479 109 HB3 LEU 17 3HB LEU 17 -8.691 20.619 11.294 110 HG LEU 17 HG LEU 17 -8.459 23.665 11.350 111 HD11 LEU 17 1HD1 LEU 17 -8.409 23.619 8.890 112 HD12 LEU 17 2HD1 LEU 17 -8.307 21.842 8.918 113 HD13 LEU 17 3HD1 LEU 17 -6.983 22.831 9.579 114 HD21 LEU 17 3HD2 LEU 17 -10.781 22.784 11.548 115 HD22 LEU 17 1HD2 LEU 17 -10.543 21.847 10.060 116 HD23 LEU 17 2HD2 LEU 17 -10.528 23.624 10.023 117 H THR 18 H THR 18 -9.729 19.502 13.075 118 HA THR 18 HA THR 18 -12.300 20.583 14.188 119 HB THR 18 HB THR 18 -12.046 18.120 12.436 120 HG1 THR 18 1HG THR 18 -12.539 19.399 10.694 121 HG21 THR 18 3HG2 THR 18 -14.354 20.047 12.991 122 HG22 THR 18 1HG2 THR 18 -14.229 18.376 13.584 123 HG23 THR 18 2HG2 THR 18 -14.407 18.681 11.859 124 H ARG 19 H ARG 19 -13.427 19.336 15.694 125 HA ARG 19 HA ARG 19 -11.920 17.520 17.401 126 HB2 ARG 19 2HB ARG 19 -13.819 17.561 18.849 127 HB3 ARG 19 3HB ARG 19 -13.582 19.186 18.211 128 HG2 ARG 19 2HG ARG 19 -15.387 18.604 16.454 129 HG3 ARG 19 3HG ARG 19 -15.721 17.157 17.416 130 HD2 ARG 19 2HD ARG 19 -16.300 18.494 19.358 131 HD3 ARG 19 3HD ARG 19 -15.781 19.984 18.569 132 HE ARG 19 HE ARG 19 -18.322 18.603 18.228 133 HH11 ARG 19 1HH1 ARG 19 -16.184 20.855 16.611 134 HH12 ARG 19 2HH1 ARG 19 -17.436 21.418 15.540 135 HH21 ARG 19 1HH2 ARG 19 -19.882 19.397 16.871 136 HH22 ARG 19 2HH2 ARG 19 -19.478 20.626 15.710 137 H ARG 20 H ARG 20 -13.201 16.784 14.518 138 HA ARG 20 HA ARG 20 -14.736 14.404 14.898 139 HB2 ARG 20 2HB ARG 20 -14.456 15.831 12.767 140 HB3 ARG 20 3HB ARG 20 -12.933 14.969 12.504 141 HG2 ARG 20 2HG ARG 20 -14.202 12.806 12.508 142 HG3 ARG 20 3HG ARG 20 -15.706 13.700 12.749 143 HD2 ARG 20 2HD ARG 20 -13.835 13.952 10.352 144 HD3 ARG 20 3HD ARG 20 -15.292 12.970 10.385 145 HE ARG 20 HE ARG 20 -15.114 15.855 10.028 146 HH11 ARG 20 1HH1 ARG 20 -17.357 13.356 11.023 147 HH12 ARG 20 2HH1 ARG 20 -18.748 14.331 10.635 148 HH21 ARG 20 1HH2 ARG 20 -16.916 17.031 9.543 149 HH22 ARG 20 2HH2 ARG 20 -18.494 16.354 9.816 150 H ILE 21 H ILE 21 -14.216 12.274 14.882 151 HA ILE 21 HA ILE 21 -11.367 11.434 15.238 152 HB ILE 21 HB ILE 21 -11.973 9.875 16.922 153 HG12 ILE 21 2HG1 ILE 21 -14.877 10.714 16.537 154 HG13 ILE 21 3HG1 ILE 21 -14.162 9.152 16.154 155 HG21 ILE 21 1HG2 ILE 21 -11.537 12.260 17.579 156 HG22 ILE 21 2HG2 ILE 21 -13.293 12.495 17.713 157 HG23 ILE 21 3HG2 ILE 21 -12.464 11.331 18.764 158 HD11 ILE 21 3HD1 ILE 21 -13.582 8.944 18.646 159 HD12 ILE 21 1HD1 ILE 21 -14.702 10.312 18.891 160 HD13 ILE 21 2HD1 ILE 21 -15.289 8.795 18.174 161 H ASP 22 H ASP 22 -11.295 8.902 15.030 162 HA ASP 22 HA ASP 22 -12.869 8.128 12.609 163 HB2 ASP 22 2HB ASP 22 -10.166 8.319 12.743 164 HB3 ASP 22 3HB ASP 22 -10.360 6.655 13.274 165 H ASP 23 H ASP 23 -14.486 6.745 13.059 166 HA ASP 23 HA ASP 23 -14.804 5.314 15.498 167 HB2 ASP 23 2HB ASP 23 -16.007 4.886 12.740 168 HB3 ASP 23 3HB ASP 23 -16.503 3.971 14.164 169 H THR 24 H THR 24 -12.846 4.488 12.766 170 HA THR 24 HA THR 24 -12.569 1.679 13.218 171 HB THR 24 HB THR 24 -10.585 3.596 11.972 172 HG1 THR 24 1HG THR 24 -12.333 3.595 10.723 173 HG21 THR 24 3HG2 THR 24 -9.323 1.642 12.371 174 HG22 THR 24 1HG2 THR 24 -9.920 1.464 10.713 175 HG23 THR 24 2HG2 THR 24 -10.696 0.565 12.032 176 H ILE 25 H ILE 25 -11.236 4.419 14.962 177 HA ILE 25 HA ILE 25 -9.126 3.049 16.395 178 HB ILE 25 HB ILE 25 -10.824 5.469 17.096 179 HG12 ILE 25 2HG1 ILE 25 -7.883 5.514 16.373 180 HG13 ILE 25 3HG1 ILE 25 -9.068 5.445 15.083 181 HG21 ILE 25 1HG2 ILE 25 -8.379 4.356 18.525 182 HG22 ILE 25 2HG2 ILE 25 -9.068 5.977 18.800 183 HG23 ILE 25 3HG2 ILE 25 -10.015 4.550 19.190 184 HD11 ILE 25 3HD1 ILE 25 -8.421 7.730 15.451 185 HD12 ILE 25 1HD1 ILE 25 -10.105 7.538 15.971 186 HD13 ILE 25 2HD1 ILE 25 -8.806 7.630 17.182 187 H PHE 26 H PHE 26 -12.597 3.602 17.122 188 HA PHE 26 HA PHE 26 -12.505 2.171 19.632 189 HB2 PHE 26 2HB PHE 26 -14.199 3.968 18.758 190 HB3 PHE 26 3HB PHE 26 -15.051 2.600 18.060 191 HD1 PHE 26 2HD PHE 26 -15.689 0.634 19.722 192 HD2 PHE 26 1HD PHE 26 -14.473 4.569 21.016 193 HE1 PHE 26 2HE PHE 26 -16.664 0.207 21.960 194 HE2 PHE 26 1HE PHE 26 -15.476 4.142 23.242 195 HZ PHE 26 HZ PHE 26 -16.563 1.957 23.724 196 H GLN 27 H GLN 27 -13.596 1.225 16.334 197 HA GLN 27 HA GLN 27 -14.399 -1.409 17.154 198 HB2 GLN 27 2HB GLN 27 -15.030 -1.785 15.003 199 HB3 GLN 27 3HB GLN 27 -15.045 -0.024 15.043 200 HG2 GLN 27 2HG GLN 27 -12.627 -0.209 14.066 201 HG3 GLN 27 3HG GLN 27 -13.002 -1.892 13.764 202 HE21 GLN 27 1HE2 GLN 27 -12.358 -0.587 11.517 203 HE22 GLN 27 2HE2 GLN 27 -13.794 -0.123 10.625 204 H ASN 28 H ASN 28 -11.207 -0.190 16.395 205 HA ASN 28 HA ASN 28 -10.192 -2.977 16.242 206 HB2 ASN 28 2HB ASN 28 -10.264 -1.407 14.130 207 HB3 ASN 28 3HB ASN 28 -8.754 -0.792 14.790 208 HD21 ASN 28 1HD2 ASN 28 -7.013 -2.413 15.186 209 HD22 ASN 28 2HD2 ASN 28 -7.103 -3.961 14.342 210 HA PRO 29 HA PRO 29 -8.286 -1.337 20.015 211 HB2 PRO 29 2HB PRO 29 -7.496 -3.706 21.159 212 HB3 PRO 29 3HB PRO 29 -9.195 -3.139 21.132 213 HG2 PRO 29 2HG PRO 29 -7.847 -5.062 19.205 214 HG3 PRO 29 3HG PRO 29 -9.400 -5.283 20.077 215 HD2 PRO 29 2HD PRO 29 -9.323 -4.403 17.524 216 HD3 PRO 29 3HD PRO 29 -10.502 -3.708 18.683 217 H MET 30 H MET 30 -6.685 -3.329 17.632 218 HA MET 30 HA MET 30 -3.960 -3.138 18.430 219 HB2 MET 30 2HB MET 30 -5.081 -2.997 15.606 220 HB3 MET 30 3HB MET 30 -3.431 -3.399 16.046 221 HG2 MET 30 2HG MET 30 -4.052 -5.479 17.015 222 HG3 MET 30 3HG MET 30 -5.766 -5.076 17.004 223 HE1 MET 30 3HE MET 30 -2.665 -5.519 14.716 224 HE2 MET 30 1HE MET 30 -3.359 -6.063 13.168 225 HE3 MET 30 2HE MET 30 -3.518 -4.370 13.663 226 H VAL 31 H VAL 31 -6.104 -0.623 17.238 227 HA VAL 31 HA VAL 31 -4.146 1.190 16.262 228 HB VAL 31 HB VAL 31 -6.869 1.739 17.485 229 HG11 VAL 31 1HG1 VAL 31 -6.514 3.941 16.085 230 HG12 VAL 31 2HG1 VAL 31 -5.848 3.824 17.725 231 HG13 VAL 31 3HG1 VAL 31 -4.804 3.598 16.313 232 HG21 VAL 31 3HG2 VAL 31 -6.360 2.195 14.572 233 HG22 VAL 31 1HG2 VAL 31 -6.395 0.506 15.085 234 HG23 VAL 31 2HG2 VAL 31 -7.778 1.549 15.407 235 H GLN 32 H GLN 32 -5.688 1.062 19.504 236 HA GLN 32 HA GLN 32 -4.195 3.131 20.687 237 HB2 GLN 32 2HB GLN 32 -5.232 0.633 22.093 238 HB3 GLN 32 3HB GLN 32 -4.824 2.186 22.829 239 HG2 GLN 32 2HG GLN 32 -6.627 3.191 21.219 240 HG3 GLN 32 3HG GLN 32 -7.160 1.519 21.005 241 HE21 GLN 32 1HE2 GLN 32 -6.770 4.161 23.398 242 HE22 GLN 32 2HE2 GLN 32 -7.870 3.439 24.566 243 H GLU 33 H GLU 33 -3.363 -0.322 20.523 244 HA GLU 33 HA GLU 33 -0.910 -0.232 21.997 245 HB2 GLU 33 2HB GLU 33 -2.015 -2.319 21.552 246 HB3 GLU 33 3HB GLU 33 -1.959 -2.056 19.817 247 HG2 GLU 33 2HG GLU 33 -0.344 -3.737 20.526 248 HG3 GLU 33 3HG GLU 33 0.437 -2.367 19.749 249 H ALA 34 H ALA 34 -1.516 0.339 18.480 250 HA ALA 34 HA ALA 34 1.241 0.685 17.794 251 HB1 ALA 34 1HB ALA 34 -1.195 1.906 16.455 252 HB2 ALA 34 2HB ALA 34 0.425 1.681 15.759 253 HB3 ALA 34 3HB ALA 34 -0.571 0.272 16.158 254 H ILE 35 H ILE 35 -1.224 3.250 18.607 255 HA ILE 35 HA ILE 35 0.662 5.411 18.656 256 HB ILE 35 HB ILE 35 -1.873 5.101 20.293 257 HG12 ILE 35 2HG1 ILE 35 -2.188 7.216 18.494 258 HG13 ILE 35 3HG1 ILE 35 -1.220 6.105 17.550 259 HG21 ILE 35 1HG2 ILE 35 -0.465 6.676 21.504 260 HG22 ILE 35 2HG2 ILE 35 -0.066 7.534 19.999 261 HG23 ILE 35 3HG2 ILE 35 -1.711 7.574 20.659 262 HD11 ILE 35 3HD1 ILE 35 -3.703 5.769 17.281 263 HD12 ILE 35 1HD1 ILE 35 -2.871 4.354 17.893 264 HD13 ILE 35 2HD1 ILE 35 -3.796 5.347 19.007 265 H ARG 36 H ARG 36 -0.171 3.137 21.272 266 HA ARG 36 HA ARG 36 1.398 4.298 23.323 267 HB2 ARG 36 2HB ARG 36 -0.344 2.561 23.585 268 HB3 ARG 36 3HB ARG 36 0.745 1.358 22.888 269 HG2 ARG 36 2HG ARG 36 2.306 1.628 24.751 270 HG3 ARG 36 3HG ARG 36 1.330 2.941 25.432 271 HD2 ARG 36 2HD ARG 36 0.296 0.104 24.995 272 HD3 ARG 36 3HD ARG 36 1.077 0.650 26.491 273 HE ARG 36 HE ARG 36 -1.107 2.405 25.762 274 HH11 ARG 36 1HH1 ARG 36 -0.537 -0.695 27.260 275 HH12 ARG 36 2HH1 ARG 36 -1.958 -0.584 28.265 276 HH21 ARG 36 1HH2 ARG 36 -2.910 2.500 27.053 277 HH22 ARG 36 2HH2 ARG 36 -3.269 1.184 28.130 278 H MET 37 H MET 37 2.576 2.408 20.598 279 HA MET 37 HA MET 37 5.274 2.084 21.722 280 HB2 MET 37 2HB MET 37 4.320 1.793 18.845 281 HB3 MET 37 3HB MET 37 5.924 1.404 19.469 282 HG2 MET 37 2HG MET 37 4.459 -0.089 21.173 283 HG3 MET 37 3HG MET 37 3.370 -0.083 19.789 284 HE1 MET 37 3HE MET 37 4.590 -0.391 17.266 285 HE2 MET 37 1HE MET 37 6.253 0.136 17.600 286 HE3 MET 37 2HE MET 37 5.956 -1.507 17.009 287 H GLY 38 H GLY 38 3.720 4.863 20.692 288 HA2 GLY 38 2HA GLY 38 4.863 6.964 20.790 289 HA3 GLY 38 3HA GLY 38 6.299 6.251 20.059 290 H PHE 39 H PHE 39 3.403 5.274 18.487 291 HA PHE 39 HA PHE 39 3.877 6.999 16.140 292 HB2 PHE 39 2HB PHE 39 1.898 4.794 16.775 293 HB3 PHE 39 3HB PHE 39 1.809 5.754 15.310 294 HD1 PHE 39 2HD PHE 39 3.894 5.913 13.797 295 HD2 PHE 39 1HD PHE 39 3.265 2.792 16.708 296 HE1 PHE 39 2HE PHE 39 5.459 4.432 12.572 297 HE2 PHE 39 1HE PHE 39 4.790 1.315 15.464 298 HZ PHE 39 HZ PHE 39 5.869 2.113 13.395 299 H SER 40 H SER 40 1.789 7.880 15.106 300 HA SER 40 HA SER 40 0.502 9.822 16.977 301 HB2 SER 40 2HB SER 40 0.776 9.830 13.947 302 HB3 SER 40 3HB SER 40 0.177 11.163 14.948 303 HG SER 40 HG SER 40 2.514 11.087 14.200 304 H PHE 41 H PHE 41 -1.747 9.812 17.228 305 HA PHE 41 HA PHE 41 -3.362 7.670 16.404 306 HB2 PHE 41 2HB PHE 41 -3.894 10.369 17.543 307 HB3 PHE 41 3HB PHE 41 -5.222 9.671 16.645 308 HD1 PHE 41 2HD PHE 41 -6.171 7.421 17.251 309 HD2 PHE 41 1HD PHE 41 -3.359 9.503 19.772 310 HE1 PHE 41 2HE PHE 41 -6.806 5.976 19.169 311 HE2 PHE 41 1HE PHE 41 -4.014 8.059 21.684 312 HZ PHE 41 HZ PHE 41 -5.737 6.293 21.383 313 H LYS 42 H LYS 42 -3.049 10.781 14.746 314 HA LYS 42 HA LYS 42 -4.760 10.340 12.540 315 HB2 LYS 42 2HB LYS 42 -3.872 12.486 12.972 316 HB3 LYS 42 3HB LYS 42 -2.200 11.963 12.754 317 HG2 LYS 42 2HG LYS 42 -4.170 11.655 10.470 318 HG3 LYS 42 3HG LYS 42 -3.576 13.260 10.842 319 HD2 LYS 42 2HD LYS 42 -1.634 10.971 10.369 320 HD3 LYS 42 3HD LYS 42 -2.325 11.884 9.033 321 HE2 LYS 42 2HE LYS 42 -1.260 13.882 9.643 322 HE3 LYS 42 3HE LYS 42 -1.026 13.372 11.319 323 HZ1 LYS 42 3HZ LYS 42 0.437 12.243 8.996 324 HZ2 LYS 42 1HZ LYS 42 0.607 11.721 10.532 325 HZ3 LYS 42 2HZ LYS 42 1.073 13.230 10.123 326 H ASP 43 H ASP 43 -1.378 9.256 12.906 327 HA ASP 43 HA ASP 43 -1.192 8.238 10.193 328 HB2 ASP 43 2HB ASP 43 0.494 7.853 12.686 329 HB3 ASP 43 3HB ASP 43 0.768 6.916 11.225 330 H ILE 44 H ILE 44 -2.037 6.728 13.329 331 HA ILE 44 HA ILE 44 -2.239 4.107 12.189 332 HB ILE 44 HB ILE 44 -3.857 4.880 14.608 333 HG12 ILE 44 2HG1 ILE 44 -1.751 5.721 15.286 334 HG13 ILE 44 3HG1 ILE 44 -1.928 4.133 15.993 335 HG21 ILE 44 1HG2 ILE 44 -3.092 2.445 15.109 336 HG22 ILE 44 2HG2 ILE 44 -4.302 2.669 13.829 337 HG23 ILE 44 3HG2 ILE 44 -2.608 2.350 13.426 338 HD11 ILE 44 3HD1 ILE 44 0.253 4.084 15.310 339 HD12 ILE 44 1HD1 ILE 44 -0.580 3.273 13.997 340 HD13 ILE 44 2HD1 ILE 44 -0.064 4.960 13.790 341 H LYS 45 H LYS 45 -4.825 6.510 12.904 342 HA LYS 45 HA LYS 45 -6.922 4.935 11.711 343 HB2 LYS 45 2HB LYS 45 -8.271 6.945 11.645 344 HB3 LYS 45 3HB LYS 45 -7.473 6.720 13.193 345 HG2 LYS 45 2HG LYS 45 -7.102 8.951 12.983 346 HG3 LYS 45 3HG LYS 45 -5.674 8.348 12.181 347 HD2 LYS 45 2HD LYS 45 -6.428 10.113 10.825 348 HD3 LYS 45 3HD LYS 45 -6.915 8.661 9.951 349 HE2 LYS 45 2HE LYS 45 -9.176 8.841 10.987 350 HE3 LYS 45 3HE LYS 45 -8.690 10.366 11.739 351 HZ1 LYS 45 3HZ LYS 45 -8.732 9.799 8.817 352 HZ2 LYS 45 1HZ LYS 45 -8.345 11.259 9.496 353 HZ3 LYS 45 2HZ LYS 45 -9.867 10.665 9.614 354 H LYS 46 H LYS 46 -4.730 7.310 10.216 355 HA LYS 46 HA LYS 46 -5.849 7.233 7.587 356 HB2 LYS 46 2HB LYS 46 -4.409 8.999 8.227 357 HB3 LYS 46 3HB LYS 46 -3.065 7.900 8.573 358 HG2 LYS 46 2HG LYS 46 -2.631 7.472 6.311 359 HG3 LYS 46 3HG LYS 46 -4.201 8.099 5.764 360 HD2 LYS 46 2HD LYS 46 -3.548 10.320 5.929 361 HD3 LYS 46 3HD LYS 46 -2.451 10.014 7.274 362 HE2 LYS 46 2HE LYS 46 -1.050 10.631 5.518 363 HE3 LYS 46 3HE LYS 46 -0.855 8.887 5.694 364 HZ1 LYS 46 3HZ LYS 46 -2.520 10.232 3.625 365 HZ2 LYS 46 1HZ LYS 46 -2.333 8.610 3.761 366 HZ3 LYS 46 2HZ LYS 46 -1.063 9.553 3.368 367 H ILE 47 H ILE 47 -3.120 5.288 8.942 368 HA ILE 47 HA ILE 47 -2.882 3.799 6.508 369 HB ILE 47 HB ILE 47 -1.137 4.022 8.335 370 HG12 ILE 47 2HG1 ILE 47 -1.673 1.282 7.142 371 HG13 ILE 47 3HG1 ILE 47 -1.036 2.666 6.253 372 HG21 ILE 47 1HG2 ILE 47 -2.365 3.220 10.278 373 HG22 ILE 47 2HG2 ILE 47 -2.619 1.625 9.542 374 HG23 ILE 47 3HG2 ILE 47 -1.005 2.155 9.980 375 HD11 ILE 47 3HD1 ILE 47 0.910 1.634 6.779 376 HD12 ILE 47 1HD1 ILE 47 0.780 2.722 8.156 377 HD13 ILE 47 2HD1 ILE 47 0.322 1.009 8.348 378 H MET 48 H MET 48 -4.826 3.147 9.443 379 HA MET 48 HA MET 48 -5.816 0.596 8.605 380 HB2 MET 48 2HB MET 48 -6.964 2.735 10.438 381 HB3 MET 48 3HB MET 48 -7.797 1.225 10.070 382 HG2 MET 48 2HG MET 48 -5.117 0.522 10.736 383 HG3 MET 48 3HG MET 48 -5.664 1.662 11.961 384 HE1 MET 48 3HE MET 48 -4.737 -1.375 11.950 385 HE2 MET 48 1HE MET 48 -5.160 -0.834 13.587 386 HE3 MET 48 2HE MET 48 -5.860 -2.332 12.915 387 H GLU 49 H GLU 49 -7.428 3.830 8.207 388 HA GLU 49 HA GLU 49 -9.546 2.796 6.627 389 HB2 GLU 49 2HB GLU 49 -10.139 4.996 6.052 390 HB3 GLU 49 3HB GLU 49 -9.571 5.026 7.718 391 HG2 GLU 49 2HG GLU 49 -7.379 5.911 6.890 392 HG3 GLU 49 3HG GLU 49 -8.033 5.977 5.264 393 H GLU 50 H GLU 50 -6.370 4.081 5.524 394 HA GLU 50 HA GLU 50 -6.862 3.698 2.734 395 HB2 GLU 50 2HB GLU 50 -5.114 5.144 3.629 396 HB3 GLU 50 3HB GLU 50 -4.234 3.737 4.265 397 HG2 GLU 50 2HG GLU 50 -3.783 2.924 2.033 398 HG3 GLU 50 3HG GLU 50 -4.925 4.073 1.322 399 H LYS 51 H LYS 51 -5.241 1.483 5.088 400 HA LYS 51 HA LYS 51 -4.651 -0.653 3.334 401 HB2 LYS 51 2HB LYS 51 -3.837 -0.582 5.630 402 HB3 LYS 51 3HB LYS 51 -5.474 -0.676 6.269 403 HG2 LYS 51 2HG LYS 51 -4.419 -2.813 6.522 404 HG3 LYS 51 3HG LYS 51 -5.720 -2.969 5.360 405 HD2 LYS 51 2HD LYS 51 -4.132 -3.043 3.496 406 HD3 LYS 51 3HD LYS 51 -2.805 -2.564 4.562 407 HE2 LYS 51 2HE LYS 51 -2.601 -4.921 4.182 408 HE3 LYS 51 3HE LYS 51 -3.061 -4.653 5.862 409 HZ1 LYS 51 3HZ LYS 51 -4.863 -5.551 3.667 410 HZ2 LYS 51 1HZ LYS 51 -5.397 -5.189 5.176 411 HZ3 LYS 51 2HZ LYS 51 -4.371 -6.438 4.939 412 H ILE 52 H ILE 52 -7.640 -0.189 5.242 413 HA ILE 52 HA ILE 52 -8.918 -2.528 4.127 414 HB ILE 52 HB ILE 52 -10.208 -0.143 5.478 415 HG12 ILE 52 2HG1 ILE 52 -9.664 -2.735 6.934 416 HG13 ILE 52 3HG1 ILE 52 -8.316 -1.639 6.737 417 HG21 ILE 52 1HG2 ILE 52 -11.908 -1.488 4.383 418 HG22 ILE 52 2HG2 ILE 52 -11.176 -2.996 4.974 419 HG23 ILE 52 3HG2 ILE 52 -11.967 -1.879 6.107 420 HD11 ILE 52 3HD1 ILE 52 -9.887 0.209 7.689 421 HD12 ILE 52 1HD1 ILE 52 -10.870 -1.160 8.261 422 HD13 ILE 52 2HD1 ILE 52 -9.171 -0.978 8.772 423 H GLN 53 H GLN 53 -9.087 0.948 3.224 424 HA GLN 53 HA GLN 53 -11.078 0.686 1.205 425 HB2 GLN 53 2HB GLN 53 -10.358 2.802 2.267 426 HB3 GLN 53 3HB GLN 53 -8.793 2.685 1.457 427 HG2 GLN 53 2HG GLN 53 -10.240 4.280 0.329 428 HG3 GLN 53 3HG GLN 53 -9.911 2.923 -0.737 429 HE21 GLN 53 1HE2 GLN 53 -11.759 2.188 -1.821 430 HE22 GLN 53 2HE2 GLN 53 -13.391 2.362 -1.179 431 H ILE 54 H ILE 54 -7.525 0.381 0.984 432 HA ILE 54 HA ILE 54 -7.574 -0.091 -1.910 433 HB ILE 54 HB ILE 54 -5.338 -0.172 0.142 434 HG12 ILE 54 2HG1 ILE 54 -6.299 2.088 -0.225 435 HG13 ILE 54 3HG1 ILE 54 -4.634 1.958 -0.717 436 HG21 ILE 54 1HG2 ILE 54 -3.807 -0.040 -1.871 437 HG22 ILE 54 2HG2 ILE 54 -4.597 -1.601 -1.623 438 HG23 ILE 54 3HG2 ILE 54 -5.200 -0.495 -2.878 439 HD11 ILE 54 3HD1 ILE 54 -6.686 3.083 -2.187 440 HD12 ILE 54 1HD1 ILE 54 -5.110 2.594 -2.832 441 HD13 ILE 54 2HD1 ILE 54 -6.506 1.508 -2.975 442 H SER 55 H SER 55 -6.706 -2.128 0.914 443 HA SER 55 HA SER 55 -6.306 -4.538 -0.657 444 HB2 SER 55 2HB SER 55 -5.149 -3.918 1.496 445 HB3 SER 55 3HB SER 55 -6.660 -4.254 2.354 446 HG SER 55 HG SER 55 -6.511 -6.432 1.514 447 H GLY 56 H GLY 56 -8.887 -3.453 1.576 448 HA2 GLY 56 2HA GLY 56 -11.209 -4.022 1.184 449 HA3 GLY 56 3HA GLY 56 -10.723 -5.615 0.614 450 H SER 57 H SER 57 -8.761 -5.368 3.174 451 HA SER 57 HA SER 57 -10.713 -5.919 5.341 452 HB2 SER 57 2HB SER 57 -9.528 -8.001 5.954 453 HB3 SER 57 3HB SER 57 -10.298 -8.099 4.369 454 HG SER 57 HG SER 57 -7.548 -7.910 5.012 455 H ASN 58 H ASN 58 -9.770 -5.982 7.462 456 HA ASN 58 HA ASN 58 -7.832 -3.874 7.889 457 HB2 ASN 58 2HB ASN 58 -9.967 -4.730 9.282 458 HB3 ASN 58 3HB ASN 58 -8.753 -5.696 10.110 459 HD21 ASN 58 1HD2 ASN 58 -10.429 -2.878 10.434 460 HD22 ASN 58 2HD2 ASN 58 -9.153 -1.943 11.220 461 H TYR 59 H TYR 59 -6.127 -4.302 9.688 462 HA TYR 59 HA TYR 59 -4.070 -6.097 8.698 463 HB2 TYR 59 2HB TYR 59 -4.357 -4.261 11.104 464 HB3 TYR 59 3HB TYR 59 -2.954 -5.302 10.885 465 HD1 TYR 59 2HD TYR 59 -1.645 -5.200 8.735 466 HD2 TYR 59 1HD TYR 59 -4.440 -2.129 9.887 467 HE1 TYR 59 2HE TYR 59 -0.595 -3.639 7.116 468 HE2 TYR 59 1HE TYR 59 -3.342 -0.547 8.285 469 HH TYR 59 HH TYR 59 -0.672 -1.653 6.145 470 H LYS 60 H LYS 60 -3.126 -7.805 9.752 471 HA LYS 60 HA LYS 60 -4.929 -9.646 11.193 472 HB2 LYS 60 2HB LYS 60 -2.089 -9.898 10.111 473 HB3 LYS 60 3HB LYS 60 -2.927 -11.191 10.978 474 HG2 LYS 60 2HG LYS 60 -4.721 -11.229 9.308 475 HG3 LYS 60 3HG LYS 60 -3.956 -9.922 8.392 476 HD2 LYS 60 2HD LYS 60 -2.566 -12.564 9.006 477 HD3 LYS 60 3HD LYS 60 -3.545 -12.313 7.553 478 HE2 LYS 60 2HE LYS 60 -2.097 -10.669 6.669 479 HE3 LYS 60 3HE LYS 60 -1.292 -10.392 8.216 480 HZ1 LYS 60 3HZ LYS 60 0.064 -11.738 6.692 481 HZ2 LYS 60 1HZ LYS 60 -1.066 -12.915 6.666 482 HZ3 LYS 60 2HZ LYS 60 -0.273 -12.570 8.053 483 H SER 61 H SER 61 -1.711 -8.305 11.807 484 HA SER 61 HA SER 61 -2.066 -8.435 14.761 485 HB2 SER 61 2HB SER 61 0.332 -9.601 13.278 486 HB3 SER 61 3HB SER 61 0.108 -9.530 15.033 487 HG SER 61 HG SER 61 -0.422 -11.589 14.180 488 H LEU 62 H LEU 62 -0.258 -7.307 15.889 489 HA LEU 62 HA LEU 62 0.182 -4.698 14.859 490 HB2 LEU 62 2HB LEU 62 1.613 -6.234 17.070 491 HB3 LEU 62 3HB LEU 62 1.971 -4.569 16.665 492 HG LEU 62 HG LEU 62 0.605 -4.587 18.576 493 HD11 LEU 62 1HD1 LEU 62 -1.127 -3.695 16.234 494 HD12 LEU 62 2HD1 LEU 62 0.197 -2.756 16.959 495 HD13 LEU 62 3HD1 LEU 62 -1.247 -3.142 17.906 496 HD21 LEU 62 3HD2 LEU 62 -1.637 -5.973 17.067 497 HD22 LEU 62 1HD2 LEU 62 -1.615 -5.458 18.760 498 HD23 LEU 62 2HD2 LEU 62 -0.551 -6.772 18.236 499 H GLU 63 H GLU 63 2.260 -7.568 14.585 500 HA GLU 63 HA GLU 63 4.615 -6.465 13.572 501 HB2 GLU 63 2HB GLU 63 3.100 -8.973 12.769 502 HB3 GLU 63 3HB GLU 63 4.673 -8.579 12.084 503 HG2 GLU 63 2HG GLU 63 4.179 -8.851 15.078 504 HG3 GLU 63 3HG GLU 63 4.699 -10.174 14.042 505 H VAL 64 H VAL 64 1.704 -7.190 11.593 506 HA VAL 64 HA VAL 64 2.905 -6.040 9.188 507 HB VAL 64 HB VAL 64 -0.053 -6.547 9.581 508 HG11 VAL 64 1HG1 VAL 64 -0.042 -6.855 7.158 509 HG12 VAL 64 2HG1 VAL 64 0.764 -5.321 7.502 510 HG13 VAL 64 3HG1 VAL 64 1.730 -6.744 7.107 511 HG21 VAL 64 3HG2 VAL 64 0.380 -8.794 8.521 512 HG22 VAL 64 1HG2 VAL 64 2.114 -8.546 8.831 513 HG23 VAL 64 2HG2 VAL 64 0.962 -8.659 10.185 514 H LEU 65 H LEU 65 0.615 -4.882 11.669 515 HA LEU 65 HA LEU 65 -0.074 -2.424 10.447 516 HB2 LEU 65 2HB LEU 65 -0.693 -3.713 12.857 517 HB3 LEU 65 3HB LEU 65 0.193 -2.303 13.395 518 HG LEU 65 HG LEU 65 -2.410 -2.458 11.872 519 HD11 LEU 65 1HD1 LEU 65 -2.557 -0.586 13.998 520 HD12 LEU 65 2HD1 LEU 65 -1.626 -1.935 14.638 521 HD13 LEU 65 3HD1 LEU 65 -3.221 -2.218 13.938 522 HD21 LEU 65 3HD2 LEU 65 -1.244 -0.652 10.717 523 HD22 LEU 65 1HD2 LEU 65 -0.810 0.073 12.278 524 HD23 LEU 65 2HD2 LEU 65 -2.505 0.001 11.758 525 H VAL 66 H VAL 66 2.450 -2.995 12.926 526 HA VAL 66 HA VAL 66 3.550 -0.345 12.855 527 HB VAL 66 HB VAL 66 5.237 -1.044 14.298 528 HG11 VAL 66 1HG1 VAL 66 2.613 -2.443 14.944 529 HG12 VAL 66 2HG1 VAL 66 3.926 -2.238 16.087 530 HG13 VAL 66 3HG1 VAL 66 3.130 -0.814 15.384 531 HG21 VAL 66 3HG2 VAL 66 4.675 -3.902 13.489 532 HG22 VAL 66 1HG2 VAL 66 6.187 -2.994 13.384 533 HG23 VAL 66 2HG2 VAL 66 5.560 -3.461 14.962 534 H ALA 67 H ALA 67 4.502 -3.305 11.102 535 HA ALA 67 HA ALA 67 6.830 -2.215 9.852 536 HB1 ALA 67 1HB ALA 67 6.347 -4.605 9.822 537 HB2 ALA 67 2HB ALA 67 4.865 -4.326 8.871 538 HB3 ALA 67 3HB ALA 67 6.458 -3.986 8.164 539 H ASP 68 H ASP 68 3.408 -2.364 8.648 540 HA ASP 68 HA ASP 68 3.946 -0.783 6.318 541 HB2 ASP 68 2HB ASP 68 1.385 -1.438 7.803 542 HB3 ASP 68 3HB ASP 68 1.441 -0.388 6.393 543 H LEU 69 H LEU 69 2.967 0.222 9.626 544 HA LEU 69 HA LEU 69 2.692 3.016 9.124 545 HB2 LEU 69 2HB LEU 69 3.591 1.464 11.561 546 HB3 LEU 69 3HB LEU 69 3.472 3.212 11.555 547 HG LEU 69 HG LEU 69 1.066 1.557 10.784 548 HD11 LEU 69 1HD1 LEU 69 1.901 2.403 13.593 549 HD12 LEU 69 2HD1 LEU 69 1.815 0.735 12.984 550 HD13 LEU 69 3HD1 LEU 69 0.356 1.663 13.126 551 HD21 LEU 69 3HD2 LEU 69 0.991 3.992 10.331 552 HD22 LEU 69 1HD2 LEU 69 1.439 4.326 12.018 553 HD23 LEU 69 2HD2 LEU 69 -0.115 3.560 11.637 554 H VAL 70 H VAL 70 5.691 1.347 10.311 555 HA VAL 70 HA VAL 70 7.283 3.703 9.946 556 HB VAL 70 HB VAL 70 9.275 2.433 10.137 557 HG11 VAL 70 1HG1 VAL 70 7.322 1.246 12.102 558 HG12 VAL 70 2HG1 VAL 70 9.034 1.614 12.341 559 HG13 VAL 70 3HG1 VAL 70 7.871 2.941 12.168 560 HG21 VAL 70 3HG2 VAL 70 8.794 0.422 8.819 561 HG22 VAL 70 1HG2 VAL 70 9.315 -0.006 10.455 562 HG23 VAL 70 2HG2 VAL 70 7.601 -0.092 10.024 563 H ASN 71 H ASN 71 6.262 1.317 7.599 564 HA ASN 71 HA ASN 71 8.186 2.217 5.588 565 HB2 ASN 71 2HB ASN 71 7.347 -0.153 5.882 566 HB3 ASN 71 3HB ASN 71 5.805 0.382 5.206 567 HD21 ASN 71 1HD2 ASN 71 5.780 -0.456 3.095 568 HD22 ASN 71 2HD2 ASN 71 7.159 -0.325 2.009 569 H ALA 72 H ALA 72 4.789 2.959 6.336 570 HA ALA 72 HA ALA 72 4.259 4.446 3.904 571 HB1 ALA 72 1HB ALA 72 2.464 3.420 5.220 572 HB2 ALA 72 2HB ALA 72 2.872 4.433 6.625 573 HB3 ALA 72 3HB ALA 72 2.239 5.175 5.137 574 H GLN 73 H GLN 73 5.242 5.402 7.232 575 HA GLN 73 HA GLN 73 5.311 8.213 6.739 576 HB2 GLN 73 2HB GLN 73 6.541 8.420 8.782 577 HB3 GLN 73 3HB GLN 73 5.317 7.164 8.993 578 HG2 GLN 73 2HG GLN 73 7.011 5.425 8.685 579 HG3 GLN 73 3HG GLN 73 8.253 6.611 8.336 580 HE21 GLN 73 1HE2 GLN 73 9.661 6.843 10.038 581 HE22 GLN 73 2HE2 GLN 73 9.155 6.781 11.722 582 H LYS 74 H LYS 74 7.370 5.888 5.369 583 HA LYS 74 HA LYS 74 9.836 7.396 5.107 584 HB2 LYS 74 2HB LYS 74 8.700 5.283 3.227 585 HB3 LYS 74 3HB LYS 74 10.364 5.848 3.276 586 HG2 LYS 74 2HG LYS 74 8.936 4.238 5.394 587 HG3 LYS 74 3HG LYS 74 10.182 3.673 4.288 588 HD2 LYS 74 2HD LYS 74 11.726 5.445 5.435 589 HD3 LYS 74 3HD LYS 74 10.449 5.560 6.654 590 HE2 LYS 74 2HE LYS 74 11.973 3.997 7.543 591 HE3 LYS 74 3HE LYS 74 10.621 3.035 6.948 592 HZ1 LYS 74 3HZ LYS 74 12.772 2.093 6.287 593 HZ2 LYS 74 1HZ LYS 74 13.188 3.458 5.501 594 HZ3 LYS 74 2HZ LYS 74 11.951 2.542 4.951 595 H ASP 75 H ASP 75 6.780 7.602 3.441 596 HA ASP 75 HA ASP 75 7.681 9.087 1.106 597 HB2 ASP 75 2HB ASP 75 5.019 8.888 2.568 598 HB3 ASP 75 3HB ASP 75 5.251 9.936 1.175 599 H SER 76 H SER 76 7.192 11.426 0.744 600 HA SER 76 HA SER 76 8.485 13.067 2.712 601 HB2 SER 76 2HB SER 76 7.966 14.931 1.259 602 HB3 SER 76 3HB SER 76 8.524 13.551 0.305 603 HG SER 76 HG SER 76 5.904 14.617 0.538 604 H MET 77 H MET 77 7.627 14.879 3.862 605 HA MET 77 HA MET 77 4.718 14.991 4.347 606 HB2 MET 77 2HB MET 77 4.905 14.914 6.741 607 HB3 MET 77 3HB MET 77 5.519 13.422 6.056 608 HG2 MET 77 2HG MET 77 7.782 13.989 6.517 609 HG3 MET 77 3HG MET 77 7.397 15.678 6.860 610 HE1 MET 77 3HE MET 77 6.849 16.533 9.525 611 HE2 MET 77 1HE MET 77 5.408 16.198 8.547 612 HE3 MET 77 2HE MET 77 5.506 15.592 10.212 613 H GLN 78 H GLN 78 4.187 16.867 5.815 614 HA GLN 78 HA GLN 78 5.159 19.331 4.740 615 HB2 GLN 78 2HB GLN 78 3.658 18.772 7.333 616 HB3 GLN 78 3HB GLN 78 3.852 20.360 6.595 617 HG2 GLN 78 2HG GLN 78 2.380 18.014 5.293 618 HG3 GLN 78 3HG GLN 78 1.622 19.308 6.199 619 HE21 GLN 78 1HE2 GLN 78 1.103 21.247 5.102 620 HE22 GLN 78 2HE2 GLN 78 1.600 21.525 3.435 621 H ASP 79 H ASP 79 6.942 20.466 5.184 622 HA ASP 79 HA ASP 79 8.966 19.579 6.990 623 HB2 ASP 79 2HB ASP 79 9.116 20.965 4.811 624 HB3 ASP 79 3HB ASP 79 8.750 22.371 5.805 625 H GLU 80 H GLU 80 9.279 19.975 9.150 626 HA GLU 80 HA GLU 80 7.890 22.273 10.463 627 HB2 GLU 80 2HB GLU 80 8.110 19.508 11.703 628 HB3 GLU 80 3HB GLU 80 7.348 20.948 12.384 629 HG2 GLU 80 2HG GLU 80 5.793 20.851 10.283 630 HG3 GLU 80 3HG GLU 80 6.376 19.186 10.132 631 H SER 81 H SER 81 8.860 23.116 12.303 632 HA SER 81 HA SER 81 11.787 22.598 12.617 633 HB2 SER 81 2HB SER 81 10.132 24.982 13.525 634 HB3 SER 81 3HB SER 81 11.898 24.822 13.585 635 HG SER 81 HG SER 81 11.105 26.035 11.754 636 H SER 82 H SER 82 12.706 22.474 14.686 637 HA SER 82 HA SER 82 11.122 22.494 17.145 638 HB2 SER 82 2HB SER 82 12.331 19.938 16.023 639 HB3 SER 82 3HB SER 82 12.152 20.175 17.768 640 HG SER 82 HG SER 82 9.973 20.587 16.003 641 H GLN 83 H GLN 83 12.448 22.587 19.015 642 HA GLN 83 HA GLN 83 15.390 22.666 18.661 643 HB2 GLN 83 2HB GLN 83 14.545 24.991 18.373 644 HB3 GLN 83 3HB GLN 83 13.821 24.921 19.977 645 HG2 GLN 83 2HG GLN 83 15.958 26.103 20.058 646 HG3 GLN 83 3HG GLN 83 16.085 24.616 20.983 647 HE21 GLN 83 1HE2 GLN 83 17.751 23.101 20.369 648 HE22 GLN 83 2HE2 GLN 83 18.715 23.360 18.924 649 H THR 84 H THR 84 15.469 20.712 19.706 650 HA THR 84 HA THR 84 15.404 20.853 22.668 651 HB THR 84 HB THR 84 14.194 18.534 21.101 652 HG1 THR 84 1HG THR 84 12.817 20.335 21.312 653 HG21 THR 84 3HG2 THR 84 14.619 18.963 24.091 654 HG22 THR 84 1HG2 THR 84 15.258 17.637 23.088 655 HG23 THR 84 2HG2 THR 84 13.524 17.742 23.409 656 H SER 85 H SER 85 17.111 19.887 23.585 657 HA SER 85 HA SER 85 18.861 17.988 22.122 658 HB2 SER 85 2HB SER 85 19.927 20.450 23.561 659 HB3 SER 85 3HB SER 85 20.873 19.212 22.719 660 HG SER 85 HG SER 85 20.544 21.154 21.487 661 H LEU 86 H LEU 86 20.576 17.136 23.703 662 HA LEU 86 HA LEU 86 19.485 16.827 26.484 663 HB2 LEU 86 2HB LEU 86 21.095 14.821 24.864 664 HB3 LEU 86 3HB LEU 86 20.468 14.586 26.490 665 HG LEU 86 HG LEU 86 18.785 14.863 23.961 666 HD11 LEU 86 1HD1 LEU 86 19.291 12.453 25.746 667 HD12 LEU 86 2HD1 LEU 86 20.063 12.740 24.170 668 HD13 LEU 86 3HD1 LEU 86 18.311 12.504 24.261 669 HD21 LEU 86 3HD2 LEU 86 17.490 15.720 25.839 670 HD22 LEU 86 1HD2 LEU 86 17.964 14.334 26.850 671 HD23 LEU 86 2HD2 LEU 86 16.906 14.100 25.439 672 H GLN 87 H GLN 87 21.069 16.495 28.140 673 HA GLN 87 HA GLN 87 23.819 17.559 27.609 674 HB2 GLN 87 2HB GLN 87 22.054 18.124 30.026 675 HB3 GLN 87 3HB GLN 87 23.724 18.637 29.844 676 HG2 GLN 87 2HG GLN 87 21.341 19.592 28.210 677 HG3 GLN 87 3HG GLN 87 22.245 20.496 29.420 678 HE21 GLN 87 1HE2 GLN 87 24.928 20.236 28.736 679 HE22 GLN 87 2HE2 GLN 87 25.133 20.807 27.086 680 H LYS 88 H LYS 88 25.266 17.062 29.566 681 HA LYS 88 HA LYS 88 24.933 14.214 30.448 682 HB2 LYS 88 2HB LYS 88 26.579 14.733 28.538 683 HB3 LYS 88 3HB LYS 88 27.566 15.569 29.742 684 HG2 LYS 88 2HG LYS 88 27.818 13.488 31.025 685 HG3 LYS 88 3HG LYS 88 26.712 12.636 29.939 686 HD2 LYS 88 2HD LYS 88 29.313 13.936 29.020 687 HD3 LYS 88 3HD LYS 88 29.242 12.270 29.575 688 HE2 LYS 88 2HE LYS 88 27.515 13.312 27.285 689 HE3 LYS 88 3HE LYS 88 29.141 12.688 27.039 690 HZ1 LYS 88 3HZ LYS 88 28.332 10.627 27.095 691 HZ2 LYS 88 1HZ LYS 88 26.811 11.185 27.252 692 HZ3 LYS 88 2HZ LYS 88 27.691 10.821 28.579 693 H GLU 89 H GLU 89 25.873 13.644 32.430 694 HA GLU 89 HA GLU 89 25.998 15.804 34.467 695 HB2 GLU 89 2HB GLU 89 25.714 14.077 36.098 696 HB3 GLU 89 3HB GLU 89 24.511 13.882 34.826 697 HG2 GLU 89 2HG GLU 89 25.874 12.044 33.825 698 HG3 GLU 89 3HG GLU 89 27.091 12.269 35.085 699 H ILE 90 H ILE 90 27.597 15.315 36.333 700 HA ILE 90 HA ILE 90 30.287 14.474 35.369 701 HB ILE 90 HB ILE 90 29.680 17.015 36.928 702 HG12 ILE 90 2HG1 ILE 90 29.143 17.316 34.553 703 HG13 ILE 90 3HG1 ILE 90 30.494 18.295 35.057 704 HG21 ILE 90 1HG2 ILE 90 31.780 16.120 37.727 705 HG22 ILE 90 2HG2 ILE 90 32.358 15.839 36.069 706 HG23 ILE 90 3HG2 ILE 90 32.129 17.490 36.678 707 HD11 ILE 90 3HD1 ILE 90 31.263 15.673 33.827 708 HD12 ILE 90 1HD1 ILE 90 30.466 16.844 32.767 709 HD13 ILE 90 2HD1 ILE 90 31.956 17.291 33.621 710 H SER 91 H SER 91 31.450 13.352 36.781 711 HA SER 91 HA SER 91 30.244 12.591 39.397 712 HB2 SER 91 2HB SER 91 32.317 11.245 37.643 713 HB3 SER 91 3HB SER 91 31.821 10.661 39.245 714 HG SER 91 HG SER 91 30.655 9.741 37.391 715 H THR 92 H THR 92 30.876 14.489 40.492 716 HA THR 92 HA THR 92 33.540 15.427 40.807 717 HB THR 92 HB THR 92 31.450 16.632 41.395 718 HG1 THR 92 1HG THR 92 32.459 17.797 42.946 719 HG21 THR 92 3HG2 THR 92 31.625 15.144 44.051 720 HG22 THR 92 1HG2 THR 92 30.369 14.874 42.820 721 HG23 THR 92 2HG2 THR 92 30.504 16.449 43.620 722 H GLU 93 H GLU 93 32.007 12.677 42.308 723 HA GLU 93 HA GLU 93 33.757 12.186 44.491 724 HB2 GLU 93 2HB GLU 93 31.548 11.046 43.866 725 HB3 GLU 93 3HB GLU 93 32.453 10.119 42.676 726 HG2 GLU 93 2HG GLU 93 32.187 8.755 44.616 727 HG3 GLU 93 3HG GLU 93 33.882 9.206 44.542 728 H GLU 94 H GLU 94 34.188 11.503 41.021 729 HA GLU 94 HA GLU 94 36.597 9.895 41.347 730 HB2 GLU 94 2HB GLU 94 34.903 9.894 39.403 731 HB3 GLU 94 3HB GLU 94 35.708 11.370 38.843 732 HG2 GLU 94 2HG GLU 94 37.851 10.130 38.667 733 HG3 GLU 94 3HG GLU 94 37.086 8.696 39.361 734 H GLN 95 H GLN 95 35.938 13.331 41.065 735 HA GLN 95 HA GLN 95 38.605 14.230 40.389 736 HB2 GLN 95 2HB GLN 95 36.518 15.755 41.998 737 HB3 GLN 95 3HB GLN 95 37.891 16.423 41.141 738 HG2 GLN 95 2HG GLN 95 35.499 15.049 39.837 739 HG3 GLN 95 3HG GLN 95 35.748 16.784 39.949 740 HE21 GLN 95 1HE2 GLN 95 35.876 14.379 37.727 741 HE22 GLN 95 2HE2 GLN 95 37.187 15.013 36.737 742 H LEU 96 H LEU 96 36.978 13.523 43.468 743 HA LEU 96 HA LEU 96 38.897 14.500 45.286 744 HB2 LEU 96 2HB LEU 96 36.470 13.323 45.553 745 HB3 LEU 96 3HB LEU 96 37.465 11.920 45.866 746 HG LEU 96 HG LEU 96 38.717 13.682 47.533 747 HD11 LEU 96 1HD1 LEU 96 36.838 14.976 48.693 748 HD12 LEU 96 2HD1 LEU 96 35.850 14.672 47.251 749 HD13 LEU 96 3HD1 LEU 96 37.358 15.611 47.118 750 HD21 LEU 96 3HD2 LEU 96 36.176 12.148 48.174 751 HD22 LEU 96 1HD2 LEU 96 37.348 12.773 49.363 752 HD23 LEU 96 2HD2 LEU 96 37.843 11.524 48.215 753 H ARG 97 H ARG 97 38.815 11.423 43.570 754 HA ARG 97 HA ARG 97 41.105 10.178 44.844 755 HB2 ARG 97 2HB ARG 97 39.191 9.123 43.473 756 HB3 ARG 97 3HB ARG 97 40.075 9.581 42.030 757 HG2 ARG 97 2HG ARG 97 41.260 7.837 44.252 758 HG3 ARG 97 3HG ARG 97 40.281 7.204 42.941 759 HD2 ARG 97 2HD ARG 97 42.415 6.785 42.200 760 HD3 ARG 97 3HD ARG 97 41.946 8.240 41.306 761 HE ARG 97 HE ARG 97 43.381 8.820 43.790 762 HH11 ARG 97 1HH1 ARG 97 43.983 7.951 40.457 763 HH12 ARG 97 2HH1 ARG 97 45.557 8.703 40.460 764 HH21 ARG 97 1HH2 ARG 97 45.312 9.870 43.675 765 HH22 ARG 97 2HH2 ARG 97 46.305 9.719 42.273 766 H ARG 98 H ARG 98 40.777 11.749 41.663 767 HA ARG 98 HA ARG 98 43.557 11.854 41.020 768 HB2 ARG 98 2HB ARG 98 41.700 12.042 39.413 769 HB3 ARG 98 3HB ARG 98 41.294 13.648 40.032 770 HG2 ARG 98 2HG ARG 98 43.283 14.614 39.181 771 HG3 ARG 98 3HG ARG 98 44.090 13.055 38.994 772 HD2 ARG 98 2HD ARG 98 41.649 13.872 37.365 773 HD3 ARG 98 3HD ARG 98 43.296 14.205 36.848 774 HE ARG 98 HE ARG 98 41.917 11.649 36.745 775 HH11 ARG 98 1HH1 ARG 98 45.143 13.000 36.884 776 HH12 ARG 98 2HH1 ARG 98 45.871 11.569 36.210 777 HH21 ARG 98 1HH2 ARG 98 42.902 9.859 35.884 778 HH22 ARG 98 2HH2 ARG 98 44.625 9.850 35.650 779 H LEU 99 H LEU 99 41.729 14.019 43.052 780 HA LEU 99 HA LEU 99 43.446 16.220 43.279 781 HB2 LEU 99 2HB LEU 99 41.118 15.560 44.406 782 HB3 LEU 99 3HB LEU 99 42.126 15.008 45.719 783 HG LEU 99 HG LEU 99 41.225 17.173 46.165 784 HD11 LEU 99 1HD1 LEU 99 43.126 18.452 46.783 785 HD12 LEU 99 2HD1 LEU 99 44.139 17.712 45.539 786 HD13 LEU 99 3HD1 LEU 99 43.586 16.746 46.932 787 HD21 LEU 99 3HD2 LEU 99 40.884 17.919 43.828 788 HD22 LEU 99 1HD2 LEU 99 42.626 18.251 43.691 789 HD23 LEU 99 2HD2 LEU 99 41.635 19.158 44.849 790 H GLN 100 H GLN 100 43.762 13.040 44.879 791 HA GLN 100 HA GLN 100 46.119 13.733 46.432 792 HB2 GLN 100 2HB GLN 100 44.517 11.950 47.041 793 HB3 GLN 100 3HB GLN 100 45.045 10.983 45.671 794 HG2 GLN 100 2HG GLN 100 46.905 11.942 47.903 795 HG3 GLN 100 3HG GLN 100 46.023 10.423 47.967 796 HE21 GLN 100 1HE2 GLN 100 46.495 8.770 46.168 797 HE22 GLN 100 2HE2 GLN 100 48.131 8.805 45.521 798 H GLU 101 H GLU 101 47.492 14.731 45.003 799 HA GLU 101 HA GLU 101 49.424 13.002 43.699 800 HB2 GLU 101 2HB GLU 101 47.556 13.523 41.969 801 HB3 GLU 101 3HB GLU 101 48.140 15.183 41.988 802 HG2 GLU 101 2HG GLU 101 50.207 14.574 41.007 803 HG3 GLU 101 3HG GLU 101 50.070 12.889 41.511 804 H GLU 102 H GLU 102 51.319 14.408 42.902 805 HA GLU 102 HA GLU 102 51.569 17.013 44.342 806 HB2 GLU 102 2HB GLU 102 53.879 16.527 44.844 807 HB3 GLU 102 3HB GLU 102 52.817 15.370 45.624 808 HG2 GLU 102 2HG GLU 102 54.350 14.803 43.040 809 HG3 GLU 102 3HG GLU 102 54.965 14.454 44.643 810 H LYS 103 H LYS 103 53.118 18.504 43.420 811 HA LYS 103 HA LYS 103 52.965 18.593 40.512 812 HB2 LYS 103 2HB LYS 103 52.968 20.592 42.216 813 HB3 LYS 103 3HB LYS 103 54.730 20.427 42.161 814 HG2 LYS 103 2HG LYS 103 54.448 20.510 39.557 815 HG3 LYS 103 3HG LYS 103 52.779 20.975 39.884 816 HD2 LYS 103 2HD LYS 103 53.912 22.993 39.492 817 HD3 LYS 103 3HD LYS 103 53.726 22.934 41.256 818 HE2 LYS 103 2HE LYS 103 56.036 22.196 41.527 819 HE3 LYS 103 3HE LYS 103 56.229 21.977 39.784 820 HZ1 LYS 103 3HZ LYS 103 55.442 24.655 40.529 821 HZ2 LYS 103 1HZ LYS 103 56.612 24.168 39.503 822 HZ3 LYS 103 2HZ LYS 103 56.907 24.229 41.105 823 H LEU 104 H LEU 104 54.299 17.685 39.137 824 HA LEU 104 HA LEU 104 57.145 17.109 39.835 825 HB2 LEU 104 2HB LEU 104 55.373 15.122 39.859 826 HB3 LEU 104 3HB LEU 104 55.527 15.207 38.121 827 HG LEU 104 HG LEU 104 56.931 13.487 38.970 828 HD11 LEU 104 1HD1 LEU 104 58.786 15.788 38.272 829 HD12 LEU 104 2HD1 LEU 104 57.879 14.807 37.098 830 HD13 LEU 104 3HD1 LEU 104 59.117 14.054 38.120 831 HD21 LEU 104 3HD2 LEU 104 57.970 13.523 40.935 832 HD22 LEU 104 1HD2 LEU 104 57.319 15.142 41.227 833 HD23 LEU 104 2HD2 LEU 104 58.925 14.951 40.505 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -3.683 8.460 -22.729 2 H2 GLY 1 2H GLY 1 -5.252 8.821 -22.431 3 H3 GLY 1 3H GLY 1 -4.618 9.078 -23.922 4 HA2 GLY 1 2HA GLY 1 -6.080 7.054 -23.684 5 HA3 GLY 1 3HA GLY 1 -4.511 6.832 -24.457 6 H SER 2 H SER 2 -3.099 5.403 -23.617 7 HA SER 2 HA SER 2 -3.745 3.559 -21.591 8 HB2 SER 2 2HB SER 2 -0.983 4.347 -22.599 9 HB3 SER 2 3HB SER 2 -1.425 2.816 -21.827 10 HG SER 2 HG SER 2 -2.758 2.342 -23.607 11 H ALA 3 H ALA 3 -3.010 3.215 -19.504 12 HA ALA 3 HA ALA 3 -1.524 5.272 -18.005 13 HB1 ALA 3 1HB ALA 3 -4.412 4.525 -17.345 14 HB2 ALA 3 2HB ALA 3 -3.378 5.644 -16.429 15 HB3 ALA 3 3HB ALA 3 -3.895 6.067 -18.066 16 H MET 4 H MET 4 -1.808 4.535 -15.511 17 HA MET 4 HA MET 4 -0.650 1.914 -15.108 18 HB2 MET 4 2HB MET 4 -1.911 3.904 -13.162 19 HB3 MET 4 3HB MET 4 -1.062 2.435 -12.698 20 HG2 MET 4 2HG MET 4 0.563 3.979 -12.418 21 HG3 MET 4 3HG MET 4 0.963 3.347 -14.002 22 HE1 MET 4 3HE MET 4 1.451 6.450 -15.993 23 HE2 MET 4 1HE MET 4 1.954 4.804 -15.549 24 HE3 MET 4 2HE MET 4 0.420 5.069 -16.408 25 H ALA 5 H ALA 5 -1.711 0.443 -13.372 26 HA ALA 5 HA ALA 5 -3.871 -0.926 -14.496 27 HB1 ALA 5 1HB ALA 5 -3.866 -2.193 -12.364 28 HB2 ALA 5 2HB ALA 5 -2.223 -1.912 -12.969 29 HB3 ALA 5 3HB ALA 5 -2.852 -0.935 -11.623 30 H ASP 6 H ASP 6 -5.995 -1.295 -13.891 31 HA ASP 6 HA ASP 6 -7.554 1.018 -13.727 32 HB2 ASP 6 2HB ASP 6 -8.088 -1.132 -14.875 33 HB3 ASP 6 3HB ASP 6 -8.415 -1.868 -13.306 34 H ILE 7 H ILE 7 -6.342 -0.723 -11.050 35 HA ILE 7 HA ILE 7 -8.233 -0.167 -9.008 36 HB ILE 7 HB ILE 7 -6.354 -1.661 -8.689 37 HG12 ILE 7 2HG1 ILE 7 -5.540 -0.975 -6.475 38 HG13 ILE 7 3HG1 ILE 7 -6.146 0.658 -6.723 39 HG21 ILE 7 1HG2 ILE 7 -4.597 -0.431 -9.974 40 HG22 ILE 7 2HG2 ILE 7 -4.474 0.738 -8.641 41 HG23 ILE 7 3HG2 ILE 7 -4.059 -0.961 -8.382 42 HD11 ILE 7 3HD1 ILE 7 -8.468 -0.198 -6.767 43 HD12 ILE 7 1HD1 ILE 7 -7.862 -1.866 -6.645 44 HD13 ILE 7 2HD1 ILE 7 -7.633 -0.731 -5.298 45 H GLY 8 H GLY 8 -5.696 1.916 -10.364 46 HA2 GLY 8 2HA GLY 8 -5.252 4.166 -10.238 47 HA3 GLY 8 3HA GLY 8 -6.973 4.394 -9.945 48 H SER 9 H SER 9 -7.707 4.625 -7.826 49 HA SER 9 HA SER 9 -7.715 5.652 -5.795 50 HB2 SER 9 2HB SER 9 -5.546 3.612 -5.215 51 HB3 SER 9 3HB SER 9 -6.576 4.422 -4.024 52 HG SER 9 HG SER 9 -8.406 3.456 -5.052 53 H GLU 10 H GLU 10 -5.952 7.047 -7.633 54 HA GLU 10 HA GLU 10 -3.580 7.979 -6.280 55 HB2 GLU 10 2HB GLU 10 -5.259 9.211 -8.500 56 HB3 GLU 10 3HB GLU 10 -3.679 9.813 -8.013 57 HG2 GLU 10 2HG GLU 10 -4.109 6.972 -9.038 58 HG3 GLU 10 3HG GLU 10 -3.763 8.338 -10.077 59 H PHE 11 H PHE 11 -6.909 8.934 -5.933 60 HA PHE 11 HA PHE 11 -6.281 11.623 -4.970 61 HB2 PHE 11 2HB PHE 11 -8.343 10.577 -6.416 62 HB3 PHE 11 3HB PHE 11 -9.104 10.655 -4.852 63 HD1 PHE 11 2HD PHE 11 -8.067 13.164 -3.648 64 HD2 PHE 11 1HD PHE 11 -9.102 12.295 -7.753 65 HE1 PHE 11 2HE PHE 11 -8.428 15.578 -4.076 66 HE2 PHE 11 1HE PHE 11 -9.479 14.709 -8.164 67 HZ PHE 11 HZ PHE 11 -9.132 16.358 -6.332 68 H GLU 12 H GLU 12 -4.950 10.597 -3.224 69 HA GLU 12 HA GLU 12 -6.549 10.250 -0.702 70 HB2 GLU 12 2HB GLU 12 -4.116 8.653 -1.589 71 HB3 GLU 12 3HB GLU 12 -4.830 8.610 0.031 72 HG2 GLU 12 2HG GLU 12 -7.006 7.894 -0.994 73 HG3 GLU 12 3HG GLU 12 -6.194 7.749 -2.551 74 H LYS 13 H LYS 13 -5.921 11.318 1.031 75 HA LYS 13 HA LYS 13 -3.204 12.428 1.368 76 HB2 LYS 13 2HB LYS 13 -3.991 14.675 1.840 77 HB3 LYS 13 3HB LYS 13 -4.423 14.218 0.198 78 HG2 LYS 13 2HG LYS 13 -6.747 13.767 0.880 79 HG3 LYS 13 3HG LYS 13 -6.362 14.128 2.564 80 HD2 LYS 13 2HD LYS 13 -6.174 16.114 0.260 81 HD3 LYS 13 3HD LYS 13 -7.523 15.977 1.398 82 HE2 LYS 13 2HE LYS 13 -5.941 16.443 3.291 83 HE3 LYS 13 3HE LYS 13 -4.646 16.697 2.115 84 HZ1 LYS 13 3HZ LYS 13 -5.961 18.525 1.166 85 HZ2 LYS 13 1HZ LYS 13 -5.663 18.799 2.746 86 HZ3 LYS 13 2HZ LYS 13 -7.141 18.300 2.274 87 H THR 14 H THR 14 -3.001 13.499 3.562 88 HA THR 14 HA THR 14 -4.133 11.863 5.721 89 HB THR 14 HB THR 14 -2.725 13.586 7.110 90 HG1 THR 14 1HG THR 14 -2.333 15.137 5.585 91 HG21 THR 14 3HG2 THR 14 -2.014 11.289 6.769 92 HG22 THR 14 1HG2 THR 14 -0.633 12.380 6.585 93 HG23 THR 14 2HG2 THR 14 -1.402 11.674 5.144 94 HA PRO 15 HA PRO 15 -7.224 14.857 7.048 95 HB2 PRO 15 2HB PRO 15 -7.391 14.398 9.729 96 HB3 PRO 15 3HB PRO 15 -7.910 13.189 8.518 97 HG2 PRO 15 2HG PRO 15 -5.229 13.357 9.939 98 HG3 PRO 15 3HG PRO 15 -6.320 11.940 9.821 99 HD2 PRO 15 2HD PRO 15 -4.235 12.259 8.123 100 HD3 PRO 15 3HD PRO 15 -5.794 11.602 7.545 101 H SER 16 H SER 16 -7.528 16.588 8.769 102 HA SER 16 HA SER 16 -5.038 18.181 9.258 103 HB2 SER 16 2HB SER 16 -6.524 18.945 7.359 104 HB3 SER 16 3HB SER 16 -7.771 19.300 8.570 105 HG SER 16 HG SER 16 -6.371 21.103 7.998 106 H LEU 17 H LEU 17 -6.129 20.195 10.697 107 HA LEU 17 HA LEU 17 -6.456 19.202 13.409 108 HB2 LEU 17 2HB LEU 17 -6.866 21.941 12.153 109 HB3 LEU 17 3HB LEU 17 -7.027 21.631 13.876 110 HG LEU 17 HG LEU 17 -4.459 21.213 12.283 111 HD11 LEU 17 1HD1 LEU 17 -3.687 23.240 13.458 112 HD12 LEU 17 2HD1 LEU 17 -5.291 23.427 14.211 113 HD13 LEU 17 3HD1 LEU 17 -5.097 23.588 12.450 114 HD21 LEU 17 3HD2 LEU 17 -5.031 21.114 15.281 115 HD22 LEU 17 1HD2 LEU 17 -3.410 21.122 14.556 116 HD23 LEU 17 2HD2 LEU 17 -4.495 19.760 14.258 117 H THR 18 H THR 18 -8.170 17.887 13.666 118 HA THR 18 HA THR 18 -10.912 19.057 13.526 119 HB THR 18 HB THR 18 -10.294 16.231 12.581 120 HG1 THR 18 1HG THR 18 -10.674 18.598 11.064 121 HG21 THR 18 3HG2 THR 18 -12.628 16.628 13.312 122 HG22 THR 18 1HG2 THR 18 -12.539 16.384 11.567 123 HG23 THR 18 2HG2 THR 18 -12.742 18.026 12.222 124 H ARG 19 H ARG 19 -12.025 18.711 15.355 125 HA ARG 19 HA ARG 19 -10.856 17.301 17.616 126 HB2 ARG 19 2HB ARG 19 -13.658 18.472 17.283 127 HB3 ARG 19 3HB ARG 19 -12.917 17.953 18.803 128 HG2 ARG 19 2HG ARG 19 -11.086 19.651 18.432 129 HG3 ARG 19 3HG ARG 19 -11.990 20.253 17.032 130 HD2 ARG 19 2HD ARG 19 -13.954 20.679 18.520 131 HD3 ARG 19 3HD ARG 19 -12.994 20.186 19.915 132 HE ARG 19 HE ARG 19 -12.879 22.716 18.462 133 HH11 ARG 19 1HH1 ARG 19 -10.949 20.690 20.566 134 HH12 ARG 19 2HH1 ARG 19 -9.901 22.007 21.020 135 HH21 ARG 19 1HH2 ARG 19 -11.526 24.342 19.078 136 HH22 ARG 19 2HH2 ARG 19 -10.235 24.023 20.198 137 H ARG 20 H ARG 20 -13.015 16.287 15.182 138 HA ARG 20 HA ARG 20 -14.446 14.166 16.447 139 HB2 ARG 20 2HB ARG 20 -14.710 15.378 14.096 140 HB3 ARG 20 3HB ARG 20 -13.593 14.152 13.532 141 HG2 ARG 20 2HG ARG 20 -15.680 13.332 12.969 142 HG3 ARG 20 3HG ARG 20 -15.320 12.410 14.419 143 HD2 ARG 20 2HD ARG 20 -16.979 14.972 14.395 144 HD3 ARG 20 3HD ARG 20 -17.685 13.377 14.140 145 HE ARG 20 HE ARG 20 -16.635 12.814 16.451 146 HH11 ARG 20 1HH1 ARG 20 -18.252 15.812 15.682 147 HH12 ARG 20 2HH1 ARG 20 -18.749 16.069 17.332 148 HH21 ARG 20 1HH2 ARG 20 -17.225 13.230 18.539 149 HH22 ARG 20 2HH2 ARG 20 -18.181 14.636 18.895 150 H ILE 21 H ILE 21 -14.175 11.916 16.326 151 HA ILE 21 HA ILE 21 -11.394 10.863 15.982 152 HB ILE 21 HB ILE 21 -11.934 9.090 17.503 153 HG12 ILE 21 2HG1 ILE 21 -14.687 10.347 17.883 154 HG13 ILE 21 3HG1 ILE 21 -14.358 8.852 17.007 155 HG21 ILE 21 1HG2 ILE 21 -12.695 11.741 18.785 156 HG22 ILE 21 2HG2 ILE 21 -11.923 10.344 19.560 157 HG23 ILE 21 3HG2 ILE 21 -11.042 11.265 18.341 158 HD11 ILE 21 3HD1 ILE 21 -15.153 8.282 19.198 159 HD12 ILE 21 1HD1 ILE 21 -13.436 7.842 19.101 160 HD13 ILE 21 2HD1 ILE 21 -13.941 9.306 19.982 161 H ASP 22 H ASP 22 -11.655 8.290 15.560 162 HA ASP 22 HA ASP 22 -13.495 7.943 13.225 163 HB2 ASP 22 2HB ASP 22 -11.016 8.334 12.728 164 HB3 ASP 22 3HB ASP 22 -10.716 6.754 13.446 165 H ASP 23 H ASP 23 -14.797 6.196 13.329 166 HA ASP 23 HA ASP 23 -14.994 4.537 15.643 167 HB2 ASP 23 2HB ASP 23 -16.143 4.212 12.845 168 HB3 ASP 23 3HB ASP 23 -16.615 3.240 14.238 169 H THR 24 H THR 24 -12.892 4.140 12.868 170 HA THR 24 HA THR 24 -12.449 1.303 13.219 171 HB THR 24 HB THR 24 -10.649 3.343 11.908 172 HG1 THR 24 1HG THR 24 -12.648 1.577 10.900 173 HG21 THR 24 3HG2 THR 24 -9.923 1.324 10.580 174 HG22 THR 24 1HG2 THR 24 -10.754 0.293 11.763 175 HG23 THR 24 2HG2 THR 24 -9.384 1.309 12.266 176 H ILE 25 H ILE 25 -11.357 4.073 15.026 177 HA ILE 25 HA ILE 25 -9.090 2.875 16.364 178 HB ILE 25 HB ILE 25 -11.024 5.020 17.310 179 HG12 ILE 25 2HG1 ILE 25 -8.192 5.336 16.200 180 HG13 ILE 25 3HG1 ILE 25 -9.638 5.527 15.219 181 HG21 ILE 25 1HG2 ILE 25 -8.349 4.160 18.484 182 HG22 ILE 25 2HG2 ILE 25 -9.275 5.593 18.982 183 HG23 ILE 25 3HG2 ILE 25 -9.939 3.999 19.249 184 HD11 ILE 25 3HD1 ILE 25 -8.861 7.271 17.585 185 HD12 ILE 25 1HD1 ILE 25 -8.874 7.704 15.872 186 HD13 ILE 25 2HD1 ILE 25 -10.402 7.371 16.712 187 H PHE 26 H PHE 26 -12.554 3.084 17.232 188 HA PHE 26 HA PHE 26 -12.267 1.539 19.633 189 HB2 PHE 26 2HB PHE 26 -14.027 3.209 19.302 190 HB3 PHE 26 3HB PHE 26 -14.719 2.260 17.991 191 HD1 PHE 26 2HD PHE 26 -13.529 1.177 21.438 192 HD2 PHE 26 1HD PHE 26 -16.867 1.650 18.733 193 HE1 PHE 26 2HE PHE 26 -15.006 0.037 23.057 194 HE2 PHE 26 1HE PHE 26 -18.344 0.524 20.378 195 HZ PHE 26 HZ PHE 26 -17.417 -0.292 22.539 196 H GLN 27 H GLN 27 -13.446 0.587 16.366 197 HA GLN 27 HA GLN 27 -14.227 -2.032 17.215 198 HB2 GLN 27 2HB GLN 27 -14.788 -2.478 15.001 199 HB3 GLN 27 3HB GLN 27 -15.019 -0.740 15.175 200 HG2 GLN 27 2HG GLN 27 -12.635 -0.515 14.178 201 HG3 GLN 27 3HG GLN 27 -12.747 -2.224 13.776 202 HE21 GLN 27 1HE2 GLN 27 -14.731 0.809 13.370 203 HE22 GLN 27 2HE2 GLN 27 -15.234 0.360 11.739 204 H ASN 28 H ASN 28 -11.033 -0.901 16.523 205 HA ASN 28 HA ASN 28 -10.036 -3.700 16.258 206 HB2 ASN 28 2HB ASN 28 -10.252 -2.286 14.106 207 HB3 ASN 28 3HB ASN 28 -8.837 -1.416 14.687 208 HD21 ASN 28 1HD2 ASN 28 -6.848 -2.716 15.029 209 HD22 ASN 28 2HD2 ASN 28 -6.704 -4.278 14.207 210 HA PRO 29 HA PRO 29 -8.219 -1.766 19.926 211 HB2 PRO 29 2HB PRO 29 -7.372 -4.016 21.280 212 HB3 PRO 29 3HB PRO 29 -9.076 -3.476 21.185 213 HG2 PRO 29 2HG PRO 29 -7.679 -5.537 19.449 214 HG3 PRO 29 3HG PRO 29 -9.247 -5.696 20.309 215 HD2 PRO 29 2HD PRO 29 -9.146 -5.044 17.692 216 HD3 PRO 29 3HD PRO 29 -10.334 -4.243 18.771 217 H MET 30 H MET 30 -6.440 -3.669 17.666 218 HA MET 30 HA MET 30 -3.751 -3.420 18.549 219 HB2 MET 30 2HB MET 30 -4.867 -3.219 15.725 220 HB3 MET 30 3HB MET 30 -3.189 -3.519 16.141 221 HG2 MET 30 2HG MET 30 -3.681 -5.667 17.068 222 HG3 MET 30 3HG MET 30 -5.413 -5.385 17.027 223 HE1 MET 30 3HE MET 30 -2.277 -5.397 14.670 224 HE2 MET 30 1HE MET 30 -2.974 -5.885 13.111 225 HE3 MET 30 2HE MET 30 -3.323 -4.275 13.768 226 H VAL 31 H VAL 31 -5.930 -0.940 17.373 227 HA VAL 31 HA VAL 31 -4.092 1.014 16.471 228 HB VAL 31 HB VAL 31 -6.832 1.296 17.749 229 HG11 VAL 31 1HG1 VAL 31 -5.107 3.431 16.429 230 HG12 VAL 31 2HG1 VAL 31 -6.843 3.582 16.689 231 HG13 VAL 31 3HG1 VAL 31 -5.766 3.453 18.074 232 HG21 VAL 31 3HG2 VAL 31 -7.595 1.620 15.456 233 HG22 VAL 31 1HG2 VAL 31 -5.927 1.610 14.849 234 HG23 VAL 31 2HG2 VAL 31 -6.652 0.132 15.502 235 H GLN 32 H GLN 32 -5.503 0.730 19.764 236 HA GLN 32 HA GLN 32 -4.110 2.912 20.899 237 HB2 GLN 32 2HB GLN 32 -5.080 0.345 22.229 238 HB3 GLN 32 3HB GLN 32 -4.593 1.816 23.081 239 HG2 GLN 32 2HG GLN 32 -6.402 3.086 21.928 240 HG3 GLN 32 3HG GLN 32 -6.921 1.609 21.109 241 HE21 GLN 32 1HE2 GLN 32 -6.802 3.268 24.280 242 HE22 GLN 32 2HE2 GLN 32 -7.938 2.153 25.033 243 H GLU 33 H GLU 33 -3.079 -0.462 20.609 244 HA GLU 33 HA GLU 33 -0.622 -0.257 22.080 245 HB2 GLU 33 2HB GLU 33 -1.808 -2.366 21.570 246 HB3 GLU 33 3HB GLU 33 -1.477 -2.144 19.862 247 HG2 GLU 33 2HG GLU 33 0.030 -3.785 20.825 248 HG3 GLU 33 3HG GLU 33 0.925 -2.397 20.234 249 H ALA 34 H ALA 34 -1.374 0.477 18.649 250 HA ALA 34 HA ALA 34 1.376 0.848 17.847 251 HB1 ALA 34 1HB ALA 34 0.455 1.920 15.881 252 HB2 ALA 34 2HB ALA 34 -0.471 0.454 16.250 253 HB3 ALA 34 3HB ALA 34 -1.145 2.051 16.635 254 H ILE 35 H ILE 35 -1.138 3.250 18.889 255 HA ILE 35 HA ILE 35 0.645 5.500 18.890 256 HB ILE 35 HB ILE 35 -1.839 5.028 20.574 257 HG12 ILE 35 2HG1 ILE 35 -2.327 7.163 18.853 258 HG13 ILE 35 3HG1 ILE 35 -1.284 6.173 17.852 259 HG21 ILE 35 1HG2 ILE 35 -1.819 7.455 21.049 260 HG22 ILE 35 2HG2 ILE 35 -0.443 6.649 21.781 261 HG23 ILE 35 3HG2 ILE 35 -0.219 7.593 20.290 262 HD11 ILE 35 3HD1 ILE 35 -3.808 5.189 19.265 263 HD12 ILE 35 1HD1 ILE 35 -3.714 5.668 17.557 264 HD13 ILE 35 2HD1 ILE 35 -2.796 4.284 18.129 265 H ARG 36 H ARG 36 0.009 3.122 21.467 266 HA ARG 36 HA ARG 36 1.646 4.203 23.502 267 HB2 ARG 36 2HB ARG 36 0.090 2.372 23.844 268 HB3 ARG 36 3HB ARG 36 1.040 1.309 22.809 269 HG2 ARG 36 2HG ARG 36 2.918 1.369 24.396 270 HG3 ARG 36 3HG ARG 36 2.018 2.472 25.452 271 HD2 ARG 36 2HD ARG 36 1.068 -0.298 24.621 272 HD3 ARG 36 3HD ARG 36 2.004 0.007 26.088 273 HE ARG 36 HE ARG 36 -0.001 1.714 26.527 274 HH11 ARG 36 1HH1 ARG 36 -0.364 -1.556 25.279 275 HH12 ARG 36 2HH1 ARG 36 -1.751 -1.858 26.295 276 HH21 ARG 36 1HH2 ARG 36 -1.834 1.304 27.661 277 HH22 ARG 36 2HH2 ARG 36 -2.605 -0.248 27.555 278 H MET 37 H MET 37 2.753 2.406 20.637 279 HA MET 37 HA MET 37 5.515 2.234 21.604 280 HB2 MET 37 2HB MET 37 4.474 1.910 18.763 281 HB3 MET 37 3HB MET 37 6.093 1.535 19.359 282 HG2 MET 37 2HG MET 37 4.647 0.040 21.095 283 HG3 MET 37 3HG MET 37 3.557 0.032 19.712 284 HE1 MET 37 3HE MET 37 6.068 -1.442 16.927 285 HE2 MET 37 1HE MET 37 4.691 -0.342 17.196 286 HE3 MET 37 2HE MET 37 6.353 0.220 17.469 287 H GLY 38 H GLY 38 3.752 4.893 20.426 288 HA2 GLY 38 2HA GLY 38 4.893 7.029 20.673 289 HA3 GLY 38 3HA GLY 38 6.269 6.393 19.779 290 H PHE 39 H PHE 39 3.635 5.250 18.104 291 HA PHE 39 HA PHE 39 3.750 7.251 15.981 292 HB2 PHE 39 2HB PHE 39 1.872 4.928 16.516 293 HB3 PHE 39 3HB PHE 39 1.857 5.906 15.052 294 HD1 PHE 39 2HD PHE 39 4.044 6.021 13.636 295 HD2 PHE 39 1HD PHE 39 3.186 2.934 16.525 296 HE1 PHE 39 2HE PHE 39 5.628 4.487 12.495 297 HE2 PHE 39 1HE PHE 39 4.766 1.420 15.387 298 HZ PHE 39 HZ PHE 39 5.985 2.183 13.373 299 H SER 40 H SER 40 1.696 8.291 15.143 300 HA SER 40 HA SER 40 0.225 9.652 17.359 301 HB2 SER 40 2HB SER 40 0.494 10.372 14.416 302 HB3 SER 40 3HB SER 40 -0.293 11.351 15.662 303 HG SER 40 HG SER 40 1.728 11.554 16.719 304 H PHE 41 H PHE 41 -2.003 9.687 17.487 305 HA PHE 41 HA PHE 41 -3.600 7.594 16.561 306 HB2 PHE 41 2HB PHE 41 -4.138 10.309 17.703 307 HB3 PHE 41 3HB PHE 41 -5.468 9.558 16.853 308 HD1 PHE 41 2HD PHE 41 -6.276 7.249 17.493 309 HD2 PHE 41 1HD PHE 41 -3.622 9.581 19.971 310 HE1 PHE 41 2HE PHE 41 -6.892 5.869 19.463 311 HE2 PHE 41 1HE PHE 41 -4.245 8.194 21.936 312 HZ PHE 41 HZ PHE 41 -5.879 6.336 21.683 313 H LYS 42 H LYS 42 -3.318 10.782 15.057 314 HA LYS 42 HA LYS 42 -5.116 10.429 12.912 315 HB2 LYS 42 2HB LYS 42 -4.107 12.346 11.901 316 HB3 LYS 42 3HB LYS 42 -4.195 12.574 13.634 317 HG2 LYS 42 2HG LYS 42 -2.069 13.316 13.404 318 HG3 LYS 42 3HG LYS 42 -1.667 11.617 13.519 319 HD2 LYS 42 2HD LYS 42 -0.415 12.406 11.674 320 HD3 LYS 42 3HD LYS 42 -1.758 11.540 10.948 321 HE2 LYS 42 2HE LYS 42 -1.516 13.517 9.681 322 HE3 LYS 42 3HE LYS 42 -2.957 13.766 10.668 323 HZ1 LYS 42 3HZ LYS 42 -1.571 15.099 12.196 324 HZ2 LYS 42 1HZ LYS 42 -1.498 15.714 10.686 325 HZ3 LYS 42 2HZ LYS 42 -0.248 14.847 11.268 326 H ASP 43 H ASP 43 -1.804 9.232 13.128 327 HA ASP 43 HA ASP 43 -1.685 8.476 10.285 328 HB2 ASP 43 2HB ASP 43 0.110 7.831 12.653 329 HB3 ASP 43 3HB ASP 43 0.360 7.192 11.036 330 H ILE 44 H ILE 44 -2.445 6.810 13.377 331 HA ILE 44 HA ILE 44 -2.528 4.217 12.120 332 HB ILE 44 HB ILE 44 -4.191 4.747 14.571 333 HG12 ILE 44 2HG1 ILE 44 -2.216 5.809 15.320 334 HG13 ILE 44 3HG1 ILE 44 -2.253 4.194 15.989 335 HG21 ILE 44 1HG2 ILE 44 -3.412 2.419 15.050 336 HG22 ILE 44 2HG2 ILE 44 -4.281 2.534 13.511 337 HG23 ILE 44 3HG2 ILE 44 -2.514 2.405 13.532 338 HD11 ILE 44 3HD1 ILE 44 -0.031 4.595 15.407 339 HD12 ILE 44 1HD1 ILE 44 -0.636 3.471 14.200 340 HD13 ILE 44 2HD1 ILE 44 -0.430 5.186 13.782 341 H LYS 45 H LYS 45 -5.166 6.505 12.987 342 HA LYS 45 HA LYS 45 -7.264 4.936 11.806 343 HB2 LYS 45 2HB LYS 45 -8.666 6.872 11.899 344 HB3 LYS 45 3HB LYS 45 -7.737 6.702 13.368 345 HG2 LYS 45 2HG LYS 45 -7.585 8.955 13.106 346 HG3 LYS 45 3HG LYS 45 -6.115 8.452 12.298 347 HD2 LYS 45 2HD LYS 45 -7.133 10.195 11.012 348 HD3 LYS 45 3HD LYS 45 -7.304 8.712 10.081 349 HE2 LYS 45 2HE LYS 45 -9.640 8.497 11.132 350 HE3 LYS 45 3HE LYS 45 -9.432 10.160 11.693 351 HZ1 LYS 45 3HZ LYS 45 -9.321 9.228 8.867 352 HZ2 LYS 45 1HZ LYS 45 -9.144 10.789 9.330 353 HZ3 LYS 45 2HZ LYS 45 -10.573 10.017 9.540 354 H LYS 46 H LYS 46 -5.146 7.342 10.340 355 HA LYS 46 HA LYS 46 -6.218 7.350 7.691 356 HB2 LYS 46 2HB LYS 46 -4.694 9.062 8.437 357 HB3 LYS 46 3HB LYS 46 -3.441 7.879 8.785 358 HG2 LYS 46 2HG LYS 46 -2.835 9.067 6.853 359 HG3 LYS 46 3HG LYS 46 -3.155 7.418 6.374 360 HD2 LYS 46 2HD LYS 46 -5.432 9.390 6.089 361 HD3 LYS 46 3HD LYS 46 -4.008 9.623 5.064 362 HE2 LYS 46 2HE LYS 46 -4.240 7.104 4.471 363 HE3 LYS 46 3HE LYS 46 -5.876 7.237 5.130 364 HZ1 LYS 46 3HZ LYS 46 -5.896 7.695 2.759 365 HZ2 LYS 46 1HZ LYS 46 -4.740 8.842 2.899 366 HZ3 LYS 46 2HZ LYS 46 -6.213 9.109 3.529 367 H ILE 47 H ILE 47 -3.470 5.382 9.001 368 HA ILE 47 HA ILE 47 -3.224 4.027 6.497 369 HB ILE 47 HB ILE 47 -1.457 4.273 8.342 370 HG12 ILE 47 2HG1 ILE 47 -1.759 1.650 6.826 371 HG13 ILE 47 3HG1 ILE 47 -1.248 3.187 6.124 372 HG21 ILE 47 1HG2 ILE 47 -1.145 2.354 9.834 373 HG22 ILE 47 2HG2 ILE 47 -2.689 3.125 10.170 374 HG23 ILE 47 3HG2 ILE 47 -2.630 1.600 9.262 375 HD11 ILE 47 3HD1 ILE 47 0.260 1.550 8.179 376 HD12 ILE 47 1HD1 ILE 47 0.722 1.961 6.513 377 HD13 ILE 47 2HD1 ILE 47 0.677 3.230 7.743 378 H MET 48 H MET 48 -5.145 3.163 9.387 379 HA MET 48 HA MET 48 -5.953 0.601 8.307 380 HB2 MET 48 2HB MET 48 -7.225 2.360 10.441 381 HB3 MET 48 3HB MET 48 -7.860 0.786 9.907 382 HG2 MET 48 2HG MET 48 -5.586 -0.193 10.328 383 HG3 MET 48 3HG MET 48 -5.158 1.292 11.175 384 HE1 MET 48 3HE MET 48 -5.756 -2.238 12.182 385 HE2 MET 48 1HE MET 48 -4.511 -0.992 12.409 386 HE3 MET 48 2HE MET 48 -5.459 -1.553 13.801 387 H GLU 49 H GLU 49 -7.668 3.825 8.166 388 HA GLU 49 HA GLU 49 -9.806 2.746 6.602 389 HB2 GLU 49 2HB GLU 49 -10.517 4.923 6.134 390 HB3 GLU 49 3HB GLU 49 -9.898 4.934 7.784 391 HG2 GLU 49 2HG GLU 49 -7.778 5.947 6.927 392 HG3 GLU 49 3HG GLU 49 -8.472 6.014 5.305 393 H GLU 50 H GLU 50 -6.639 4.020 5.573 394 HA GLU 50 HA GLU 50 -7.090 3.742 2.744 395 HB2 GLU 50 2HB GLU 50 -5.273 5.065 3.832 396 HB3 GLU 50 3HB GLU 50 -4.456 3.567 4.269 397 HG2 GLU 50 2HG GLU 50 -5.135 3.605 1.407 398 HG3 GLU 50 3HG GLU 50 -4.292 5.075 1.858 399 H LYS 51 H LYS 51 -5.446 1.502 5.052 400 HA LYS 51 HA LYS 51 -4.869 -0.603 3.317 401 HB2 LYS 51 2HB LYS 51 -4.078 -0.443 5.654 402 HB3 LYS 51 3HB LYS 51 -5.709 -0.750 6.245 403 HG2 LYS 51 2HG LYS 51 -4.461 -2.768 6.455 404 HG3 LYS 51 3HG LYS 51 -5.622 -3.029 5.166 405 HD2 LYS 51 2HD LYS 51 -3.910 -2.787 3.459 406 HD3 LYS 51 3HD LYS 51 -2.741 -2.182 4.650 407 HE2 LYS 51 2HE LYS 51 -2.930 -4.384 5.864 408 HE3 LYS 51 3HE LYS 51 -3.932 -4.987 4.535 409 HZ1 LYS 51 3HZ LYS 51 -1.578 -5.574 4.251 410 HZ2 LYS 51 1HZ LYS 51 -1.132 -4.003 4.269 411 HZ3 LYS 51 2HZ LYS 51 -2.045 -4.586 3.039 412 H ILE 52 H ILE 52 -7.860 -0.256 5.232 413 HA ILE 52 HA ILE 52 -9.145 -2.605 4.199 414 HB ILE 52 HB ILE 52 -10.425 -0.075 5.295 415 HG12 ILE 52 2HG1 ILE 52 -9.963 -2.665 6.831 416 HG13 ILE 52 3HG1 ILE 52 -8.744 -1.407 6.827 417 HG21 ILE 52 1HG2 ILE 52 -12.364 -1.592 5.803 418 HG22 ILE 52 2HG2 ILE 52 -12.065 -1.481 4.075 419 HG23 ILE 52 3HG2 ILE 52 -11.525 -2.916 4.970 420 HD11 ILE 52 3HD1 ILE 52 -10.052 -1.074 8.789 421 HD12 ILE 52 1HD1 ILE 52 -10.469 0.230 7.674 422 HD13 ILE 52 2HD1 ILE 52 -11.576 -1.146 7.892 423 H GLN 53 H GLN 53 -9.375 0.826 3.119 424 HA GLN 53 HA GLN 53 -11.272 0.336 1.055 425 HB2 GLN 53 2HB GLN 53 -10.774 2.481 2.198 426 HB3 GLN 53 3HB GLN 53 -9.258 2.609 1.291 427 HG2 GLN 53 2HG GLN 53 -10.500 2.796 -0.805 428 HG3 GLN 53 3HG GLN 53 -12.023 2.413 0.012 429 HE21 GLN 53 1HE2 GLN 53 -12.765 4.023 1.760 430 HE22 GLN 53 2HE2 GLN 53 -12.340 5.707 1.480 431 H ILE 54 H ILE 54 -7.717 0.284 0.942 432 HA ILE 54 HA ILE 54 -7.588 -0.226 -1.949 433 HB ILE 54 HB ILE 54 -5.499 -0.337 0.260 434 HG12 ILE 54 2HG1 ILE 54 -6.295 1.944 -0.204 435 HG13 ILE 54 3HG1 ILE 54 -4.622 1.717 -0.666 436 HG21 ILE 54 1HG2 ILE 54 -3.816 -0.342 -1.618 437 HG22 ILE 54 2HG2 ILE 54 -4.703 -1.852 -1.433 438 HG23 ILE 54 3HG2 ILE 54 -5.138 -0.732 -2.739 439 HD11 ILE 54 3HD1 ILE 54 -5.315 1.564 -3.065 440 HD12 ILE 54 1HD1 ILE 54 -7.005 1.832 -2.565 441 HD13 ILE 54 2HD1 ILE 54 -5.783 3.084 -2.295 442 H SER 55 H SER 55 -6.763 -2.243 0.913 443 HA SER 55 HA SER 55 -6.261 -4.559 -0.775 444 HB2 SER 55 2HB SER 55 -4.964 -3.812 1.293 445 HB3 SER 55 3HB SER 55 -6.314 -4.412 2.261 446 HG SER 55 HG SER 55 -4.674 -5.905 0.445 447 H GLY 56 H GLY 56 -8.979 -3.513 1.181 448 HA2 GLY 56 2HA GLY 56 -11.160 -4.365 0.994 449 HA3 GLY 56 3HA GLY 56 -10.545 -5.924 0.453 450 H SER 57 H SER 57 -8.648 -5.345 3.067 451 HA SER 57 HA SER 57 -10.572 -6.020 5.214 452 HB2 SER 57 2HB SER 57 -9.234 -7.947 5.949 453 HB3 SER 57 3HB SER 57 -9.906 -8.196 4.332 454 HG SER 57 HG SER 57 -7.720 -8.825 4.410 455 H ASN 58 H ASN 58 -9.570 -5.947 7.391 456 HA ASN 58 HA ASN 58 -7.571 -3.763 7.568 457 HB2 ASN 58 2HB ASN 58 -9.841 -3.909 8.874 458 HB3 ASN 58 3HB ASN 58 -8.997 -5.044 9.922 459 HD21 ASN 58 1HD2 ASN 58 -9.904 -2.869 11.207 460 HD22 ASN 58 2HD2 ASN 58 -8.596 -1.704 11.435 461 H TYR 59 H TYR 59 -5.975 -3.983 9.419 462 HA TYR 59 HA TYR 59 -4.117 -6.115 8.970 463 HB2 TYR 59 2HB TYR 59 -4.350 -4.065 11.211 464 HB3 TYR 59 3HB TYR 59 -2.965 -5.122 10.969 465 HD1 TYR 59 2HD TYR 59 -1.637 -5.021 8.853 466 HD2 TYR 59 1HD TYR 59 -4.547 -2.028 9.898 467 HE1 TYR 59 2HE TYR 59 -0.590 -3.445 7.244 468 HE2 TYR 59 1HE TYR 59 -3.493 -0.441 8.268 469 HH TYR 59 HH TYR 59 -0.765 -1.472 6.195 470 H LYS 60 H LYS 60 -3.435 -7.780 10.258 471 HA LYS 60 HA LYS 60 -5.392 -8.892 12.255 472 HB2 LYS 60 2HB LYS 60 -3.684 -10.364 10.211 473 HB3 LYS 60 3HB LYS 60 -4.798 -11.115 11.346 474 HG2 LYS 60 2HG LYS 60 -5.601 -9.205 9.105 475 HG3 LYS 60 3HG LYS 60 -5.711 -10.961 9.056 476 HD2 LYS 60 2HD LYS 60 -7.325 -10.966 10.909 477 HD3 LYS 60 3HD LYS 60 -7.221 -9.197 11.039 478 HE2 LYS 60 2HE LYS 60 -8.061 -8.927 8.759 479 HE3 LYS 60 3HE LYS 60 -8.109 -10.684 8.536 480 HZ1 LYS 60 3HZ LYS 60 -10.298 -9.767 9.142 481 HZ2 LYS 60 1HZ LYS 60 -9.713 -9.210 10.560 482 HZ3 LYS 60 2HZ LYS 60 -9.783 -10.818 10.275 483 H SER 61 H SER 61 -2.088 -8.081 11.873 484 HA SER 61 HA SER 61 -1.541 -8.936 14.653 485 HB2 SER 61 2HB SER 61 0.247 -9.628 12.278 486 HB3 SER 61 3HB SER 61 0.766 -9.690 13.971 487 HG SER 61 HG SER 61 0.078 -11.735 13.262 488 H LEU 62 H LEU 62 -0.001 -7.630 15.694 489 HA LEU 62 HA LEU 62 0.166 -4.912 14.862 490 HB2 LEU 62 2HB LEU 62 1.727 -6.521 16.930 491 HB3 LEU 62 3HB LEU 62 2.084 -4.838 16.613 492 HG LEU 62 HG LEU 62 0.751 -5.010 18.579 493 HD11 LEU 62 1HD1 LEU 62 0.428 -3.018 17.175 494 HD12 LEU 62 2HD1 LEU 62 -1.045 -3.447 18.056 495 HD13 LEU 62 3HD1 LEU 62 -0.919 -3.812 16.334 496 HD21 LEU 62 3HD2 LEU 62 -1.539 -5.788 18.636 497 HD22 LEU 62 1HD2 LEU 62 -0.476 -7.096 18.097 498 HD23 LEU 62 2HD2 LEU 62 -1.486 -6.222 16.918 499 H GLU 63 H GLU 63 2.500 -7.537 14.441 500 HA GLU 63 HA GLU 63 4.727 -6.189 13.438 501 HB2 GLU 63 2HB GLU 63 3.533 -8.831 12.507 502 HB3 GLU 63 3HB GLU 63 5.147 -8.251 12.078 503 HG2 GLU 63 2HG GLU 63 5.775 -8.193 14.478 504 HG3 GLU 63 3HG GLU 63 4.176 -8.800 14.917 505 H VAL 64 H VAL 64 1.867 -7.174 11.533 506 HA VAL 64 HA VAL 64 2.845 -6.119 9.015 507 HB VAL 64 HB VAL 64 -0.077 -6.579 9.721 508 HG11 VAL 64 1HG1 VAL 64 -0.289 -7.052 7.320 509 HG12 VAL 64 2HG1 VAL 64 0.448 -5.461 7.527 510 HG13 VAL 64 3HG1 VAL 64 1.463 -6.842 7.093 511 HG21 VAL 64 3HG2 VAL 64 1.082 -8.658 10.316 512 HG22 VAL 64 1HG2 VAL 64 0.186 -8.875 8.813 513 HG23 VAL 64 2HG2 VAL 64 1.949 -8.644 8.764 514 H LEU 65 H LEU 65 0.654 -4.866 11.526 515 HA LEU 65 HA LEU 65 -0.105 -2.447 10.259 516 HB2 LEU 65 2HB LEU 65 -0.817 -3.712 12.569 517 HB3 LEU 65 3HB LEU 65 0.247 -2.504 13.244 518 HG LEU 65 HG LEU 65 -2.441 -2.229 11.940 519 HD11 LEU 65 1HD1 LEU 65 -2.810 -0.720 13.860 520 HD12 LEU 65 2HD1 LEU 65 -1.100 -0.848 14.298 521 HD13 LEU 65 3HD1 LEU 65 -2.149 -2.273 14.397 522 HD21 LEU 65 3HD2 LEU 65 -1.250 -0.614 10.564 523 HD22 LEU 65 1HD2 LEU 65 -0.465 0.063 11.997 524 HD23 LEU 65 2HD2 LEU 65 -2.215 0.236 11.761 525 H VAL 66 H VAL 66 2.505 -2.984 12.672 526 HA VAL 66 HA VAL 66 3.474 -0.282 12.547 527 HB VAL 66 HB VAL 66 5.248 -0.885 13.974 528 HG11 VAL 66 1HG1 VAL 66 3.967 -1.941 15.840 529 HG12 VAL 66 2HG1 VAL 66 3.096 -0.622 15.031 530 HG13 VAL 66 3HG1 VAL 66 2.663 -2.311 14.729 531 HG21 VAL 66 3HG2 VAL 66 6.110 -2.942 13.074 532 HG22 VAL 66 1HG2 VAL 66 5.636 -3.219 14.751 533 HG23 VAL 66 2HG2 VAL 66 4.604 -3.798 13.430 534 H ALA 67 H ALA 67 4.511 -3.202 10.793 535 HA ALA 67 HA ALA 67 6.811 -2.052 9.536 536 HB1 ALA 67 1HB ALA 67 4.895 -4.217 8.567 537 HB2 ALA 67 2HB ALA 67 6.489 -3.853 7.872 538 HB3 ALA 67 3HB ALA 67 6.371 -4.458 9.534 539 H ASP 68 H ASP 68 3.371 -2.219 8.424 540 HA ASP 68 HA ASP 68 3.805 -0.601 6.081 541 HB2 ASP 68 2HB ASP 68 1.334 -1.343 7.669 542 HB3 ASP 68 3HB ASP 68 1.279 -0.208 6.327 543 H LEU 69 H LEU 69 2.863 0.329 9.428 544 HA LEU 69 HA LEU 69 2.514 3.111 8.996 545 HB2 LEU 69 2HB LEU 69 3.464 1.517 11.377 546 HB3 LEU 69 3HB LEU 69 3.423 3.264 11.436 547 HG LEU 69 HG LEU 69 0.940 1.685 10.727 548 HD11 LEU 69 1HD1 LEU 69 1.827 2.649 13.481 549 HD12 LEU 69 2HD1 LEU 69 1.762 0.957 12.959 550 HD13 LEU 69 3HD1 LEU 69 0.280 1.882 13.072 551 HD21 LEU 69 3HD2 LEU 69 0.892 4.115 10.208 552 HD22 LEU 69 1HD2 LEU 69 1.384 4.484 11.871 553 HD23 LEU 69 2HD2 LEU 69 -0.189 3.735 11.552 554 H VAL 70 H VAL 70 5.617 1.499 9.982 555 HA VAL 70 HA VAL 70 7.104 3.933 9.683 556 HB VAL 70 HB VAL 70 9.154 2.723 9.635 557 HG11 VAL 70 1HG1 VAL 70 7.293 1.530 11.706 558 HG12 VAL 70 2HG1 VAL 70 9.042 1.775 11.845 559 HG13 VAL 70 3HG1 VAL 70 7.963 3.179 11.775 560 HG21 VAL 70 3HG2 VAL 70 8.637 0.710 8.330 561 HG22 VAL 70 1HG2 VAL 70 9.292 0.290 9.913 562 HG23 VAL 70 2HG2 VAL 70 7.552 0.148 9.621 563 H ASN 71 H ASN 71 6.498 1.328 7.287 564 HA ASN 71 HA ASN 71 8.087 2.452 5.220 565 HB2 ASN 71 2HB ASN 71 7.144 0.130 5.310 566 HB3 ASN 71 3HB ASN 71 5.549 0.787 4.938 567 HD21 ASN 71 1HD2 ASN 71 5.047 0.989 2.723 568 HD22 ASN 71 2HD2 ASN 71 6.281 0.880 1.475 569 H ALA 72 H ALA 72 4.680 3.141 6.064 570 HA ALA 72 HA ALA 72 4.144 4.863 3.830 571 HB1 ALA 72 1HB ALA 72 2.806 4.644 6.562 572 HB2 ALA 72 2HB ALA 72 2.142 5.477 5.140 573 HB3 ALA 72 3HB ALA 72 2.385 3.722 5.100 574 H GLN 73 H GLN 73 5.197 5.608 7.202 575 HA GLN 73 HA GLN 73 5.191 8.480 6.667 576 HB2 GLN 73 2HB GLN 73 5.833 8.805 8.897 577 HB3 GLN 73 3HB GLN 73 4.691 7.460 8.886 578 HG2 GLN 73 2HG GLN 73 6.666 5.890 8.988 579 HG3 GLN 73 3HG GLN 73 7.729 7.282 9.144 580 HE21 GLN 73 1HE2 GLN 73 8.394 6.136 11.201 581 HE22 GLN 73 2HE2 GLN 73 7.389 6.446 12.612 582 H LYS 74 H LYS 74 7.636 5.992 6.385 583 HA LYS 74 HA LYS 74 9.976 7.680 6.081 584 HB2 LYS 74 2HB LYS 74 9.214 4.868 5.213 585 HB3 LYS 74 3HB LYS 74 10.724 5.591 4.674 586 HG2 LYS 74 2HG LYS 74 11.559 5.854 6.903 587 HG3 LYS 74 3HG LYS 74 10.004 5.463 7.623 588 HD2 LYS 74 2HD LYS 74 11.575 3.578 7.816 589 HD3 LYS 74 3HD LYS 74 10.141 3.156 6.895 590 HE2 LYS 74 2HE LYS 74 12.042 2.151 5.839 591 HE3 LYS 74 3HE LYS 74 11.391 3.393 4.771 592 HZ1 LYS 74 3HZ LYS 74 13.828 3.481 4.929 593 HZ2 LYS 74 1HZ LYS 74 13.763 3.739 6.537 594 HZ3 LYS 74 2HZ LYS 74 13.193 4.870 5.498 595 H ASP 75 H ASP 75 11.173 7.819 4.026 596 HA ASP 75 HA ASP 75 9.715 9.218 1.959 597 HB2 ASP 75 2HB ASP 75 11.842 9.411 0.874 598 HB3 ASP 75 3HB ASP 75 12.062 9.707 2.593 599 H SER 76 H SER 76 9.721 8.635 -0.318 600 HA SER 76 HA SER 76 8.642 6.012 -0.827 601 HB2 SER 76 2HB SER 76 9.384 8.232 -2.769 602 HB3 SER 76 3HB SER 76 8.368 6.825 -3.125 603 HG SER 76 HG SER 76 6.869 7.574 -1.573 604 H MET 77 H MET 77 10.521 4.804 -0.101 605 HA MET 77 HA MET 77 12.977 4.481 -1.442 606 HB2 MET 77 2HB MET 77 11.166 2.467 -0.054 607 HB3 MET 77 3HB MET 77 12.766 2.043 -0.657 608 HG2 MET 77 2HG MET 77 12.264 4.291 1.325 609 HG3 MET 77 3HG MET 77 12.639 2.640 1.797 610 HE1 MET 77 3HE MET 77 14.947 1.557 0.005 611 HE2 MET 77 1HE MET 77 16.357 2.143 0.910 612 HE3 MET 77 2HE MET 77 14.938 1.530 1.785 613 H GLN 78 H GLN 78 13.641 3.647 -3.286 614 HA GLN 78 HA GLN 78 11.720 2.314 -5.151 615 HB2 GLN 78 2HB GLN 78 13.014 3.275 -6.980 616 HB3 GLN 78 3HB GLN 78 12.272 4.500 -5.971 617 HG2 GLN 78 2HG GLN 78 15.209 3.699 -5.699 618 HG3 GLN 78 3HG GLN 78 14.644 4.943 -6.805 619 HE21 GLN 78 1HE2 GLN 78 13.611 6.936 -5.880 620 HE22 GLN 78 2HE2 GLN 78 13.987 7.340 -4.210 621 H ASP 79 H ASP 79 12.644 0.844 -6.716 622 HA ASP 79 HA ASP 79 14.714 -0.915 -5.467 623 HB2 ASP 79 2HB ASP 79 12.434 -1.786 -5.380 624 HB3 ASP 79 3HB ASP 79 12.280 -1.625 -7.129 625 H GLU 80 H GLU 80 16.392 0.211 -6.526 626 HA GLU 80 HA GLU 80 16.675 0.199 -9.433 627 HB2 GLU 80 2HB GLU 80 18.694 0.708 -7.214 628 HB3 GLU 80 3HB GLU 80 19.003 0.925 -8.938 629 HG2 GLU 80 2HG GLU 80 16.950 2.456 -7.281 630 HG3 GLU 80 3HG GLU 80 18.517 3.053 -7.802 631 H SER 81 H SER 81 16.153 -2.017 -9.794 632 HA SER 81 HA SER 81 17.680 -4.268 -8.995 633 HB2 SER 81 2HB SER 81 15.469 -4.319 -10.131 634 HB3 SER 81 3HB SER 81 16.251 -3.836 -11.647 635 HG SER 81 HG SER 81 15.962 -6.123 -11.458 636 H SER 82 H SER 82 18.218 -2.040 -11.707 637 HA SER 82 HA SER 82 20.512 -3.235 -12.908 638 HB2 SER 82 2HB SER 82 19.771 -0.291 -12.676 639 HB3 SER 82 3HB SER 82 20.920 -0.992 -13.827 640 HG SER 82 HG SER 82 19.207 -2.145 -14.777 641 H GLN 83 H GLN 83 22.442 -3.611 -12.035 642 HA GLN 83 HA GLN 83 23.400 -2.611 -9.531 643 HB2 GLN 83 2HB GLN 83 24.767 -3.950 -11.903 644 HB3 GLN 83 3HB GLN 83 25.635 -3.541 -10.427 645 HG2 GLN 83 2HG GLN 83 23.183 -5.357 -10.513 646 HG3 GLN 83 3HG GLN 83 24.850 -5.918 -10.518 647 HE21 GLN 83 1HE2 GLN 83 22.246 -5.337 -8.434 648 HE22 GLN 83 2HE2 GLN 83 23.198 -5.166 -6.962 649 H THR 84 H THR 84 25.183 -1.271 -9.050 650 HA THR 84 HA THR 84 25.211 1.288 -10.253 651 HB THR 84 HB THR 84 27.379 0.113 -8.475 652 HG1 THR 84 1HG THR 84 24.945 1.389 -7.759 653 HG21 THR 84 3HG2 THR 84 26.351 2.969 -8.856 654 HG22 THR 84 1HG2 THR 84 27.934 2.346 -9.372 655 HG23 THR 84 2HG2 THR 84 27.549 2.448 -7.648 656 H SER 85 H SER 85 25.783 1.545 -12.281 657 HA SER 85 HA SER 85 28.486 0.661 -13.262 658 HB2 SER 85 2HB SER 85 26.664 -0.765 -14.133 659 HB3 SER 85 3HB SER 85 25.870 0.666 -14.811 660 HG SER 85 HG SER 85 27.193 -0.455 -16.346 661 H LEU 86 H LEU 86 25.835 3.008 -13.696 662 HA LEU 86 HA LEU 86 27.805 5.158 -14.143 663 HB2 LEU 86 2HB LEU 86 26.375 6.187 -15.863 664 HB3 LEU 86 3HB LEU 86 27.135 4.711 -16.408 665 HG LEU 86 HG LEU 86 24.304 4.589 -15.340 666 HD11 LEU 86 1HD1 LEU 86 24.252 6.458 -16.917 667 HD12 LEU 86 2HD1 LEU 86 23.431 5.044 -17.598 668 HD13 LEU 86 3HD1 LEU 86 25.067 5.470 -18.148 669 HD21 LEU 86 3HD2 LEU 86 25.185 3.127 -17.811 670 HD22 LEU 86 1HD2 LEU 86 24.121 2.612 -16.488 671 HD23 LEU 86 2HD2 LEU 86 25.881 2.578 -16.295 672 H GLN 87 H GLN 87 27.153 7.163 -13.419 673 HA GLN 87 HA GLN 87 24.742 7.252 -11.629 674 HB2 GLN 87 2HB GLN 87 27.443 8.615 -11.321 675 HB3 GLN 87 3HB GLN 87 26.053 8.840 -10.254 676 HG2 GLN 87 2HG GLN 87 26.096 6.415 -9.681 677 HG3 GLN 87 3HG GLN 87 27.525 6.203 -10.697 678 HE21 GLN 87 1HE2 GLN 87 29.594 6.790 -9.831 679 HE22 GLN 87 2HE2 GLN 87 29.737 7.447 -8.205 680 H LYS 88 H LYS 88 25.849 8.488 -14.500 681 HA LYS 88 HA LYS 88 24.786 11.227 -14.330 682 HB2 LYS 88 2HB LYS 88 25.925 9.471 -16.543 683 HB3 LYS 88 3HB LYS 88 25.180 11.016 -16.920 684 HG2 LYS 88 2HG LYS 88 27.491 10.750 -14.950 685 HG3 LYS 88 3HG LYS 88 27.695 11.037 -16.682 686 HD2 LYS 88 2HD LYS 88 26.339 13.114 -16.514 687 HD3 LYS 88 3HD LYS 88 26.190 12.873 -14.761 688 HE2 LYS 88 2HE LYS 88 28.646 12.985 -14.522 689 HE3 LYS 88 3HE LYS 88 28.820 13.183 -16.271 690 HZ1 LYS 88 3HZ LYS 88 27.584 15.274 -16.097 691 HZ2 LYS 88 1HZ LYS 88 28.889 15.324 -15.122 692 HZ3 LYS 88 2HZ LYS 88 27.405 15.092 -14.483 693 H GLU 89 H GLU 89 23.176 12.032 -15.711 694 HA GLU 89 HA GLU 89 21.120 10.348 -16.898 695 HB2 GLU 89 2HB GLU 89 19.272 11.180 -15.538 696 HB3 GLU 89 3HB GLU 89 20.419 10.281 -14.557 697 HG2 GLU 89 2HG GLU 89 21.407 12.462 -13.770 698 HG3 GLU 89 3HG GLU 89 20.163 13.316 -14.686 699 H ILE 90 H ILE 90 19.251 11.906 -17.701 700 HA ILE 90 HA ILE 90 20.502 14.372 -18.859 701 HB ILE 90 HB ILE 90 18.619 12.457 -20.265 702 HG12 ILE 90 2HG1 ILE 90 21.599 12.972 -20.706 703 HG13 ILE 90 3HG1 ILE 90 20.904 11.512 -20.006 704 HG21 ILE 90 1HG2 ILE 90 20.074 14.942 -21.302 705 HG22 ILE 90 2HG2 ILE 90 18.992 13.890 -22.239 706 HG23 ILE 90 3HG2 ILE 90 18.338 14.864 -20.940 707 HD11 ILE 90 3HD1 ILE 90 20.620 12.447 -22.877 708 HD12 ILE 90 1HD1 ILE 90 21.417 10.991 -22.260 709 HD13 ILE 90 2HD1 ILE 90 19.650 11.134 -22.167 710 H SER 91 H SER 91 19.646 15.960 -17.710 711 HA SER 91 HA SER 91 16.887 16.065 -16.807 712 HB2 SER 91 2HB SER 91 19.060 18.191 -16.758 713 HB3 SER 91 3HB SER 91 17.530 18.223 -15.858 714 HG SER 91 HG SER 91 19.261 17.445 -14.569 715 H THR 92 H THR 92 16.504 15.766 -19.419 716 HA THR 92 HA THR 92 16.392 18.117 -21.050 717 HB THR 92 HB THR 92 16.230 15.828 -21.923 718 HG1 THR 92 1HG THR 92 15.542 17.442 -23.258 719 HG21 THR 92 3HG2 THR 92 14.641 14.824 -20.290 720 HG22 THR 92 1HG2 THR 92 14.136 14.602 -21.970 721 HG23 THR 92 2HG2 THR 92 13.335 15.825 -20.968 722 H GLU 93 H GLU 93 14.140 16.978 -18.613 723 HA GLU 93 HA GLU 93 11.934 18.732 -19.140 724 HB2 GLU 93 2HB GLU 93 12.926 17.489 -16.539 725 HB3 GLU 93 3HB GLU 93 11.359 18.281 -16.753 726 HG2 GLU 93 2HG GLU 93 10.733 16.620 -18.479 727 HG3 GLU 93 3HG GLU 93 12.290 15.813 -18.290 728 H GLU 94 H GLU 94 14.991 19.302 -17.426 729 HA GLU 94 HA GLU 94 14.165 21.879 -16.284 730 HB2 GLU 94 2HB GLU 94 16.927 20.642 -16.627 731 HB3 GLU 94 3HB GLU 94 16.574 22.111 -15.729 732 HG2 GLU 94 2HG GLU 94 15.478 19.345 -15.040 733 HG3 GLU 94 3HG GLU 94 16.869 20.107 -14.288 734 H GLN 95 H GLN 95 15.900 20.815 -19.210 735 HA GLN 95 HA GLN 95 16.654 23.426 -20.158 736 HB2 GLN 95 2HB GLN 95 15.972 20.922 -21.756 737 HB3 GLN 95 3HB GLN 95 16.699 22.394 -22.404 738 HG2 GLN 95 2HG GLN 95 18.646 22.093 -20.856 739 HG3 GLN 95 3HG GLN 95 17.948 20.563 -20.314 740 HE21 GLN 95 1HE2 GLN 95 20.216 19.836 -21.141 741 HE22 GLN 95 2HE2 GLN 95 20.272 19.409 -22.850 742 H LEU 96 H LEU 96 13.601 21.652 -20.348 743 HA LEU 96 HA LEU 96 12.230 23.371 -22.152 744 HB2 LEU 96 2HB LEU 96 11.615 21.034 -20.813 745 HB3 LEU 96 3HB LEU 96 10.647 22.175 -19.910 746 HG LEU 96 HG LEU 96 9.297 21.202 -21.608 747 HD11 LEU 96 1HD1 LEU 96 8.923 23.636 -21.290 748 HD12 LEU 96 2HD1 LEU 96 8.506 23.079 -22.918 749 HD13 LEU 96 3HD1 LEU 96 10.013 23.971 -22.657 750 HD21 LEU 96 3HD2 LEU 96 11.104 20.431 -23.104 751 HD22 LEU 96 1HD2 LEU 96 11.320 22.087 -23.705 752 HD23 LEU 96 2HD2 LEU 96 9.793 21.230 -23.985 753 H ARG 97 H ARG 97 12.326 23.473 -18.579 754 HA ARG 97 HA ARG 97 10.947 26.001 -18.263 755 HB2 ARG 97 2HB ARG 97 12.953 24.559 -16.467 756 HB3 ARG 97 3HB ARG 97 12.079 26.006 -15.990 757 HG2 ARG 97 2HG ARG 97 10.775 23.341 -16.700 758 HG3 ARG 97 3HG ARG 97 11.077 23.967 -15.074 759 HD2 ARG 97 2HD ARG 97 9.671 25.991 -15.684 760 HD3 ARG 97 3HD ARG 97 9.194 25.130 -17.163 761 HE ARG 97 HE ARG 97 8.668 23.322 -15.123 762 HH11 ARG 97 1HH1 ARG 97 7.523 26.560 -15.779 763 HH12 ARG 97 2HH1 ARG 97 6.056 26.328 -14.867 764 HH21 ARG 97 1HH2 ARG 97 6.794 23.084 -13.973 765 HH22 ARG 97 2HH2 ARG 97 5.657 24.398 -13.881 766 H ARG 98 H ARG 98 14.370 25.289 -18.724 767 HA ARG 98 HA ARG 98 15.407 27.931 -18.349 768 HB2 ARG 98 2HB ARG 98 16.641 25.696 -18.567 769 HB3 ARG 98 3HB ARG 98 16.523 25.878 -20.311 770 HG2 ARG 98 2HG ARG 98 17.850 27.895 -18.443 771 HG3 ARG 98 3HG ARG 98 18.689 26.555 -19.224 772 HD2 ARG 98 2HD ARG 98 18.048 27.482 -21.460 773 HD3 ARG 98 3HD ARG 98 17.379 28.905 -20.633 774 HE ARG 98 HE ARG 98 20.034 28.530 -19.710 775 HH11 ARG 98 1HH1 ARG 98 18.477 29.519 -22.679 776 HH12 ARG 98 2HH1 ARG 98 19.843 30.477 -23.185 777 HH21 ARG 98 1HH2 ARG 98 21.736 29.758 -20.398 778 HH22 ARG 98 2HH2 ARG 98 21.640 30.603 -21.914 779 H LEU 99 H LEU 99 14.391 26.359 -21.387 780 HA LEU 99 HA LEU 99 14.731 28.736 -22.989 781 HB2 LEU 99 2HB LEU 99 14.734 26.166 -23.595 782 HB3 LEU 99 3HB LEU 99 13.006 26.360 -23.764 783 HG LEU 99 HG LEU 99 14.091 26.457 -25.901 784 HD11 LEU 99 1HD1 LEU 99 12.162 28.015 -25.597 785 HD12 LEU 99 2HD1 LEU 99 13.305 28.504 -26.859 786 HD13 LEU 99 3HD1 LEU 99 13.326 29.332 -25.296 787 HD21 LEU 99 3HD2 LEU 99 15.758 28.085 -26.552 788 HD22 LEU 99 1HD2 LEU 99 16.334 27.180 -25.144 789 HD23 LEU 99 2HD2 LEU 99 15.727 28.842 -24.951 790 H GLN 100 H GLN 100 11.761 27.076 -21.823 791 HA GLN 100 HA GLN 100 10.026 29.233 -22.767 792 HB2 GLN 100 2HB GLN 100 9.531 26.731 -22.886 793 HB3 GLN 100 3HB GLN 100 9.290 26.764 -21.147 794 HG2 GLN 100 2HG GLN 100 7.133 26.938 -22.177 795 HG3 GLN 100 3HG GLN 100 7.495 28.509 -21.475 796 HE21 GLN 100 1HE2 GLN 100 6.375 29.947 -22.881 797 HE22 GLN 100 2HE2 GLN 100 6.628 29.925 -24.622 798 H GLU 101 H GLU 101 10.756 30.999 -21.535 799 HA GLU 101 HA GLU 101 9.684 31.129 -18.750 800 HB2 GLU 101 2HB GLU 101 11.586 32.463 -18.041 801 HB3 GLU 101 3HB GLU 101 12.085 30.851 -18.554 802 HG2 GLU 101 2HG GLU 101 12.956 31.721 -20.661 803 HG3 GLU 101 3HG GLU 101 12.273 33.315 -20.338 804 H GLU 102 H GLU 102 9.524 33.428 -17.959 805 HA GLU 102 HA GLU 102 8.414 35.244 -20.074 806 HB2 GLU 102 2HB GLU 102 7.655 34.941 -17.140 807 HB3 GLU 102 3HB GLU 102 6.995 36.145 -18.236 808 HG2 GLU 102 2HG GLU 102 6.659 33.122 -18.442 809 HG3 GLU 102 3HG GLU 102 5.446 34.278 -17.911 810 H LYS 103 H LYS 103 8.916 37.415 -19.989 811 HA LYS 103 HA LYS 103 10.552 38.551 -17.847 812 HB2 LYS 103 2HB LYS 103 12.411 39.278 -19.279 813 HB3 LYS 103 3HB LYS 103 12.295 37.546 -19.111 814 HG2 LYS 103 2HG LYS 103 12.924 37.901 -21.310 815 HG3 LYS 103 3HG LYS 103 11.232 37.430 -21.415 816 HD2 LYS 103 2HD LYS 103 10.558 39.739 -21.802 817 HD3 LYS 103 3HD LYS 103 12.195 40.332 -21.487 818 HE2 LYS 103 2HE LYS 103 11.387 38.490 -23.786 819 HE3 LYS 103 3HE LYS 103 11.532 40.246 -23.902 820 HZ1 LYS 103 3HZ LYS 103 13.555 39.196 -24.667 821 HZ2 LYS 103 1HZ LYS 103 13.768 38.401 -23.260 822 HZ3 LYS 103 2HZ LYS 103 13.890 40.032 -23.308 823 H LEU 104 H LEU 104 11.137 40.851 -18.350 824 HA LEU 104 HA LEU 104 8.729 42.346 -18.488 825 HB2 LEU 104 2HB LEU 104 10.105 44.283 -18.051 826 HB3 LEU 104 3HB LEU 104 10.594 42.921 -17.074 827 HG LEU 104 HG LEU 104 12.452 42.597 -18.977 828 HD11 LEU 104 1HD1 LEU 104 11.646 44.456 -20.443 829 HD12 LEU 104 2HD1 LEU 104 13.265 44.767 -19.817 830 HD13 LEU 104 3HD1 LEU 104 11.865 45.596 -19.102 831 HD21 LEU 104 3HD2 LEU 104 12.878 43.057 -16.597 832 HD22 LEU 104 1HD2 LEU 104 12.555 44.785 -16.860 833 HD23 LEU 104 2HD2 LEU 104 13.956 44.002 -17.630 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 24.815 11.599 -8.394 2 H2 GLY 1 2H GLY 1 23.758 11.285 -9.601 3 H3 GLY 1 3H GLY 1 25.310 10.771 -9.720 4 HA2 GLY 1 2HA GLY 1 23.847 8.924 -9.177 5 HA3 GLY 1 3HA GLY 1 25.033 9.247 -7.898 6 H SER 2 H SER 2 23.222 7.928 -6.798 7 HA SER 2 HA SER 2 20.874 9.303 -5.816 8 HB2 SER 2 2HB SER 2 20.903 7.615 -4.014 9 HB3 SER 2 3HB SER 2 20.972 6.911 -5.630 10 HG SER 2 HG SER 2 22.991 6.234 -5.292 11 H ALA 3 H ALA 3 20.589 10.664 -4.128 12 HA ALA 3 HA ALA 3 22.758 11.309 -2.235 13 HB1 ALA 3 1HB ALA 3 23.164 12.751 -4.242 14 HB2 ALA 3 2HB ALA 3 21.520 13.405 -4.081 15 HB3 ALA 3 3HB ALA 3 22.726 13.696 -2.809 16 H MET 4 H MET 4 22.017 12.860 -0.560 17 HA MET 4 HA MET 4 19.147 13.257 -0.154 18 HB2 MET 4 2HB MET 4 18.992 11.994 1.926 19 HB3 MET 4 3HB MET 4 19.447 10.928 0.604 20 HG2 MET 4 2HG MET 4 21.883 11.201 1.380 21 HG3 MET 4 3HG MET 4 21.240 12.033 2.794 22 HE1 MET 4 3HE MET 4 21.986 8.705 1.018 23 HE2 MET 4 1HE MET 4 20.935 7.523 1.823 24 HE3 MET 4 2HE MET 4 20.230 8.734 0.733 25 H ALA 5 H ALA 5 18.658 14.517 1.759 26 HA ALA 5 HA ALA 5 20.784 15.633 3.404 27 HB1 ALA 5 1HB ALA 5 20.818 17.183 1.459 28 HB2 ALA 5 2HB ALA 5 19.072 17.466 1.653 29 HB3 ALA 5 3HB ALA 5 20.211 17.991 2.913 30 H ASP 6 H ASP 6 19.869 16.926 5.195 31 HA ASP 6 HA ASP 6 16.960 16.736 5.688 32 HB2 ASP 6 2HB ASP 6 17.816 14.646 6.618 33 HB3 ASP 6 3HB ASP 6 19.017 15.525 7.567 34 H ILE 7 H ILE 7 16.861 18.891 5.484 35 HA ILE 7 HA ILE 7 18.184 20.624 7.528 36 HB ILE 7 HB ILE 7 18.253 22.404 5.862 37 HG12 ILE 7 2HG1 ILE 7 16.426 21.465 4.336 38 HG13 ILE 7 3HG1 ILE 7 17.809 22.270 3.624 39 HG21 ILE 7 1HG2 ILE 7 19.810 19.917 5.088 40 HG22 ILE 7 2HG2 ILE 7 20.199 21.588 4.628 41 HG23 ILE 7 3HG2 ILE 7 20.231 21.106 6.332 42 HD11 ILE 7 3HD1 ILE 7 17.135 20.320 2.314 43 HD12 ILE 7 1HD1 ILE 7 18.785 20.141 2.916 44 HD13 ILE 7 2HD1 ILE 7 17.451 19.243 3.676 45 H GLY 8 H GLY 8 15.329 19.358 7.090 46 HA2 GLY 8 2HA GLY 8 13.670 21.829 7.494 47 HA3 GLY 8 3HA GLY 8 13.094 20.313 6.812 48 H SER 9 H SER 9 14.531 21.648 9.775 49 HA SER 9 HA SER 9 13.582 19.566 11.570 50 HB2 SER 9 2HB SER 9 14.704 22.342 12.116 51 HB3 SER 9 3HB SER 9 14.393 21.115 13.354 52 HG SER 9 HG SER 9 16.165 20.826 11.132 53 H GLU 10 H GLU 10 11.643 21.567 10.006 54 HA GLU 10 HA GLU 10 10.145 23.029 11.959 55 HB2 GLU 10 2HB GLU 10 9.508 22.133 9.118 56 HB3 GLU 10 3HB GLU 10 8.545 23.295 10.027 57 HG2 GLU 10 2HG GLU 10 11.479 23.698 9.297 58 HG3 GLU 10 3HG GLU 10 10.115 24.328 8.388 59 H PHE 11 H PHE 11 9.931 19.681 11.220 60 HA PHE 11 HA PHE 11 7.086 19.337 11.434 61 HB2 PHE 11 2HB PHE 11 8.694 17.895 10.176 62 HB3 PHE 11 3HB PHE 11 9.273 17.247 11.698 63 HD1 PHE 11 2HD PHE 11 6.335 17.521 9.418 64 HD2 PHE 11 1HD PHE 11 7.998 15.505 12.851 65 HE1 PHE 11 2HE PHE 11 4.549 15.806 9.280 66 HE2 PHE 11 1HE PHE 11 6.193 13.807 12.725 67 HZ PHE 11 HZ PHE 11 4.467 13.950 10.939 68 H GLU 12 H GLU 12 6.734 20.566 13.413 69 HA GLU 12 HA GLU 12 7.245 19.313 16.020 70 HB2 GLU 12 2HB GLU 12 5.331 21.534 15.189 71 HB3 GLU 12 3HB GLU 12 5.568 20.967 16.848 72 HG2 GLU 12 2HG GLU 12 8.026 21.522 16.614 73 HG3 GLU 12 3HG GLU 12 7.654 22.283 15.064 74 H LYS 13 H LYS 13 4.158 19.917 14.352 75 HA LYS 13 HA LYS 13 3.061 17.238 14.974 76 HB2 LYS 13 2HB LYS 13 1.889 19.886 15.950 77 HB3 LYS 13 3HB LYS 13 0.904 18.446 15.788 78 HG2 LYS 13 2HG LYS 13 3.296 18.706 17.647 79 HG3 LYS 13 3HG LYS 13 1.595 18.822 18.086 80 HD2 LYS 13 2HD LYS 13 1.274 16.444 17.221 81 HD3 LYS 13 3HD LYS 13 3.023 16.360 16.995 82 HE2 LYS 13 2HE LYS 13 2.624 15.314 19.057 83 HE3 LYS 13 3HE LYS 13 3.318 16.889 19.444 84 HZ1 LYS 13 3HZ LYS 13 0.417 16.219 19.541 85 HZ2 LYS 13 1HZ LYS 13 1.050 17.674 19.934 86 HZ3 LYS 13 2HZ LYS 13 1.389 16.364 20.840 87 H THR 14 H THR 14 0.815 17.058 14.018 88 HA THR 14 HA THR 14 0.546 18.464 11.396 89 HB THR 14 HB THR 14 -0.152 16.231 10.433 90 HG1 THR 14 1HG THR 14 1.304 15.094 12.547 91 HG21 THR 14 3HG2 THR 14 2.107 15.400 10.053 92 HG22 THR 14 1HG2 THR 14 2.729 16.369 11.407 93 HG23 THR 14 2HG2 THR 14 2.083 17.171 9.959 94 HA PRO 15 HA PRO 15 -3.662 18.927 12.507 95 HB2 PRO 15 2HB PRO 15 -5.041 18.936 10.137 96 HB3 PRO 15 3HB PRO 15 -3.878 20.215 10.600 97 HG2 PRO 15 2HG PRO 15 -3.364 17.780 8.858 98 HG3 PRO 15 3HG PRO 15 -2.979 19.495 8.498 99 HD2 PRO 15 2HD PRO 15 -1.112 17.826 9.499 100 HD3 PRO 15 3HD PRO 15 -1.201 19.519 10.062 101 H SER 16 H SER 16 -5.715 17.990 12.774 102 HA SER 16 HA SER 16 -5.883 15.038 12.465 103 HB2 SER 16 2HB SER 16 -7.649 16.954 14.027 104 HB3 SER 16 3HB SER 16 -7.694 15.183 14.092 105 HG SER 16 HG SER 16 -6.473 16.131 15.817 106 H LEU 17 H LEU 17 -7.111 17.788 10.854 107 HA LEU 17 HA LEU 17 -9.722 16.898 10.082 108 HB2 LEU 17 2HB LEU 17 -8.734 19.237 10.030 109 HB3 LEU 17 3HB LEU 17 -7.904 18.796 8.544 110 HG LEU 17 HG LEU 17 -10.932 18.769 8.982 111 HD11 LEU 17 1HD1 LEU 17 -9.174 20.761 7.491 112 HD12 LEU 17 2HD1 LEU 17 -9.964 21.038 9.060 113 HD13 LEU 17 3HD1 LEU 17 -10.949 20.807 7.610 114 HD21 LEU 17 3HD2 LEU 17 -9.297 18.399 6.435 115 HD22 LEU 17 1HD2 LEU 17 -11.040 18.745 6.465 116 HD23 LEU 17 2HD2 LEU 17 -10.447 17.245 7.159 117 H THR 18 H THR 18 -10.062 15.039 9.103 118 HA THR 18 HA THR 18 -8.370 14.137 6.795 119 HB THR 18 HB THR 18 -9.598 12.293 8.877 120 HG1 THR 18 1HG THR 18 -8.005 13.560 9.859 121 HG21 THR 18 3HG2 THR 18 -7.859 10.703 8.013 122 HG22 THR 18 1HG2 THR 18 -7.433 11.884 6.763 123 HG23 THR 18 2HG2 THR 18 -9.048 11.134 6.787 124 H ARG 19 H ARG 19 -9.457 13.002 5.167 125 HA ARG 19 HA ARG 19 -12.203 13.706 4.666 126 HB2 ARG 19 2HB ARG 19 -11.908 12.701 2.537 127 HB3 ARG 19 3HB ARG 19 -10.397 13.498 2.953 128 HG2 ARG 19 2HG ARG 19 -9.473 11.221 3.651 129 HG3 ARG 19 3HG ARG 19 -10.989 10.505 3.093 130 HD2 ARG 19 2HD ARG 19 -9.503 10.208 1.305 131 HD3 ARG 19 3HD ARG 19 -10.554 11.549 0.820 132 HE ARG 19 HE ARG 19 -8.126 12.480 2.128 133 HH11 ARG 19 1HH1 ARG 19 -9.227 11.331 -0.984 134 HH12 ARG 19 2HH1 ARG 19 -7.896 12.071 -1.832 135 HH21 ARG 19 1HH2 ARG 19 -6.455 13.393 1.004 136 HH22 ARG 19 2HH2 ARG 19 -6.370 13.206 -0.722 137 H ARG 20 H ARG 20 -11.311 11.424 6.733 138 HA ARG 20 HA ARG 20 -13.677 9.626 6.390 139 HB2 ARG 20 2HB ARG 20 -10.738 8.973 6.487 140 HB3 ARG 20 3HB ARG 20 -11.826 7.852 7.267 141 HG2 ARG 20 2HG ARG 20 -12.039 8.681 4.338 142 HG3 ARG 20 3HG ARG 20 -11.182 7.253 4.911 143 HD2 ARG 20 2HD ARG 20 -14.161 7.787 5.205 144 HD3 ARG 20 3HD ARG 20 -13.396 6.647 4.091 145 HE ARG 20 HE ARG 20 -12.490 5.866 6.607 146 HH11 ARG 20 1HH1 ARG 20 -15.639 6.048 5.121 147 HH12 ARG 20 2HH1 ARG 20 -16.321 4.860 6.198 148 HH21 ARG 20 1HH2 ARG 20 -13.409 4.387 7.981 149 HH22 ARG 20 2HH2 ARG 20 -15.070 3.936 7.758 150 H ILE 21 H ILE 21 -14.491 8.791 8.219 151 HA ILE 21 HA ILE 21 -14.366 10.291 10.598 152 HB ILE 21 HB ILE 21 -16.285 8.968 9.676 153 HG12 ILE 21 2HG1 ILE 21 -17.300 8.242 11.760 154 HG13 ILE 21 3HG1 ILE 21 -15.761 8.328 12.601 155 HG21 ILE 21 1HG2 ILE 21 -14.935 6.535 10.927 156 HG22 ILE 21 2HG2 ILE 21 -16.531 6.595 10.160 157 HG23 ILE 21 3HG2 ILE 21 -15.079 6.850 9.189 158 HD11 ILE 21 3HD1 ILE 21 -17.178 10.698 11.301 159 HD12 ILE 21 1HD1 ILE 21 -17.230 10.288 13.026 160 HD13 ILE 21 2HD1 ILE 21 -15.699 10.779 12.290 161 H ASP 22 H ASP 22 -13.835 9.682 12.771 162 HA ASP 22 HA ASP 22 -11.258 8.326 13.084 163 HB2 ASP 22 2HB ASP 22 -13.153 9.718 15.015 164 HB3 ASP 22 3HB ASP 22 -11.584 9.070 15.476 165 H ASP 23 H ASP 23 -14.455 7.182 13.206 166 HA ASP 23 HA ASP 23 -14.642 5.713 15.537 167 HB2 ASP 23 2HB ASP 23 -16.449 6.270 13.898 168 HB3 ASP 23 3HB ASP 23 -15.859 4.979 12.851 169 H THR 24 H THR 24 -12.811 4.718 12.724 170 HA THR 24 HA THR 24 -12.537 1.955 13.209 171 HB THR 24 HB THR 24 -10.343 3.744 12.126 172 HG1 THR 24 1HG THR 24 -11.359 3.447 10.139 173 HG21 THR 24 3HG2 THR 24 -10.044 1.703 10.609 174 HG22 THR 24 1HG2 THR 24 -11.122 0.825 11.703 175 HG23 THR 24 2HG2 THR 24 -9.576 1.464 12.303 176 H ILE 25 H ILE 25 -11.059 4.657 14.904 177 HA ILE 25 HA ILE 25 -8.998 3.279 16.371 178 HB ILE 25 HB ILE 25 -10.666 5.758 16.916 179 HG12 ILE 25 2HG1 ILE 25 -7.666 5.655 16.502 180 HG13 ILE 25 3HG1 ILE 25 -8.731 5.581 15.101 181 HG21 ILE 25 1HG2 ILE 25 -8.438 4.635 18.656 182 HG22 ILE 25 2HG2 ILE 25 -9.053 6.300 18.764 183 HG23 ILE 25 3HG2 ILE 25 -10.123 4.958 19.128 184 HD11 ILE 25 3HD1 ILE 25 -8.735 7.843 17.146 185 HD12 ILE 25 1HD1 ILE 25 -7.906 7.862 15.580 186 HD13 ILE 25 2HD1 ILE 25 -9.672 7.756 15.639 187 H PHE 26 H PHE 26 -12.475 3.738 17.014 188 HA PHE 26 HA PHE 26 -12.370 2.425 19.605 189 HB2 PHE 26 2HB PHE 26 -14.169 4.109 18.267 190 HB3 PHE 26 3HB PHE 26 -15.024 2.586 18.324 191 HD1 PHE 26 2HD PHE 26 -14.382 1.406 20.936 192 HD2 PHE 26 1HD PHE 26 -15.002 5.552 19.885 193 HE1 PHE 26 2HE PHE 26 -15.016 1.909 23.273 194 HE2 PHE 26 1HE PHE 26 -15.654 6.039 22.227 195 HZ PHE 26 HZ PHE 26 -15.654 4.223 23.929 196 H GLN 27 H GLN 27 -13.464 1.419 16.342 197 HA GLN 27 HA GLN 27 -14.545 -1.057 17.251 198 HB2 GLN 27 2HB GLN 27 -15.185 -1.460 15.090 199 HB3 GLN 27 3HB GLN 27 -15.065 0.297 15.121 200 HG2 GLN 27 2HG GLN 27 -12.722 0.011 14.091 201 HG3 GLN 27 3HG GLN 27 -13.091 -1.698 13.920 202 HE21 GLN 27 1HE2 GLN 27 -12.615 -1.141 11.556 203 HE22 GLN 27 2HE2 GLN 27 -14.001 -0.570 10.634 204 H ASN 28 H ASN 28 -11.228 -0.341 16.573 205 HA ASN 28 HA ASN 28 -10.553 -3.250 16.484 206 HB2 ASN 28 2HB ASN 28 -10.626 -2.093 14.242 207 HB3 ASN 28 3HB ASN 28 -9.248 -1.124 14.759 208 HD21 ASN 28 1HD2 ASN 28 -7.179 -2.163 14.826 209 HD22 ASN 28 2HD2 ASN 28 -7.002 -3.833 14.269 210 HA PRO 29 HA PRO 29 -8.382 -1.451 19.994 211 HB2 PRO 29 2HB PRO 29 -7.624 -3.730 21.337 212 HB3 PRO 29 3HB PRO 29 -9.298 -3.097 21.295 213 HG2 PRO 29 2HG PRO 29 -8.081 -5.248 19.531 214 HG3 PRO 29 3HG PRO 29 -9.620 -5.314 20.452 215 HD2 PRO 29 2HD PRO 29 -9.580 -4.682 17.822 216 HD3 PRO 29 3HD PRO 29 -10.687 -3.826 18.940 217 H MET 30 H MET 30 -6.798 -3.457 17.643 218 HA MET 30 HA MET 30 -4.071 -3.292 18.521 219 HB2 MET 30 2HB MET 30 -5.181 -3.218 15.690 220 HB3 MET 30 3HB MET 30 -3.507 -3.526 16.127 221 HG2 MET 30 2HG MET 30 -4.010 -5.621 17.119 222 HG3 MET 30 3HG MET 30 -5.740 -5.309 17.132 223 HE1 MET 30 3HE MET 30 -3.660 -4.417 13.775 224 HE2 MET 30 1HE MET 30 -2.665 -5.560 14.706 225 HE3 MET 30 2HE MET 30 -3.419 -6.068 13.178 226 H VAL 31 H VAL 31 -6.209 -0.805 17.309 227 HA VAL 31 HA VAL 31 -4.265 1.030 16.298 228 HB VAL 31 HB VAL 31 -7.038 1.505 17.453 229 HG11 VAL 31 1HG1 VAL 31 -5.081 3.441 16.162 230 HG12 VAL 31 2HG1 VAL 31 -6.822 3.697 16.150 231 HG13 VAL 31 3HG1 VAL 31 -5.958 3.622 17.693 232 HG21 VAL 31 3HG2 VAL 31 -5.918 1.371 14.614 233 HG22 VAL 31 1HG2 VAL 31 -7.026 0.209 15.363 234 HG23 VAL 31 2HG2 VAL 31 -7.580 1.844 15.018 235 H GLN 32 H GLN 32 -5.778 0.976 19.576 236 HA GLN 32 HA GLN 32 -4.197 3.075 20.659 237 HB2 GLN 32 2HB GLN 32 -5.416 0.670 22.075 238 HB3 GLN 32 3HB GLN 32 -4.823 2.139 22.864 239 HG2 GLN 32 2HG GLN 32 -6.499 3.489 21.613 240 HG3 GLN 32 3HG GLN 32 -7.141 2.021 20.873 241 HE21 GLN 32 1HE2 GLN 32 -8.866 3.680 22.325 242 HE22 GLN 32 2HE2 GLN 32 -9.283 2.838 23.815 243 H GLU 33 H GLU 33 -3.496 -0.384 20.458 244 HA GLU 33 HA GLU 33 -1.053 -0.437 21.958 245 HB2 GLU 33 2HB GLU 33 -2.404 -2.415 21.410 246 HB3 GLU 33 3HB GLU 33 -2.092 -2.185 19.705 247 HG2 GLU 33 2HG GLU 33 -0.734 -3.985 20.532 248 HG3 GLU 33 3HG GLU 33 0.301 -2.661 20.025 249 H ALA 34 H ALA 34 -1.659 0.557 18.572 250 HA ALA 34 HA ALA 34 1.162 0.679 17.871 251 HB1 ALA 34 1HB ALA 34 -1.203 2.124 16.613 252 HB2 ALA 34 2HB ALA 34 0.415 1.916 15.921 253 HB3 ALA 34 3HB ALA 34 -0.627 0.503 16.174 254 H ILE 35 H ILE 35 -1.211 3.229 18.863 255 HA ILE 35 HA ILE 35 0.643 5.377 18.908 256 HB ILE 35 HB ILE 35 -1.881 5.001 20.555 257 HG12 ILE 35 2HG1 ILE 35 -2.283 7.155 18.859 258 HG13 ILE 35 3HG1 ILE 35 -1.210 6.187 17.868 259 HG21 ILE 35 1HG2 ILE 35 -0.493 6.556 21.825 260 HG22 ILE 35 2HG2 ILE 35 -0.139 7.492 20.351 261 HG23 ILE 35 3HG2 ILE 35 -1.779 7.439 21.028 262 HD11 ILE 35 3HD1 ILE 35 -3.638 5.721 17.478 263 HD12 ILE 35 1HD1 ILE 35 -2.746 4.306 18.023 264 HD13 ILE 35 2HD1 ILE 35 -3.791 5.178 19.162 265 H ARG 36 H ARG 36 0.017 3.036 21.549 266 HA ARG 36 HA ARG 36 1.569 4.375 23.502 267 HB2 ARG 36 2HB ARG 36 1.241 2.618 24.871 268 HB3 ARG 36 3HB ARG 36 0.003 2.254 23.678 269 HG2 ARG 36 2HG ARG 36 1.684 0.692 22.571 270 HG3 ARG 36 3HG ARG 36 2.768 0.968 23.932 271 HD2 ARG 36 2HD ARG 36 -0.064 -0.105 24.227 272 HD3 ARG 36 3HD ARG 36 1.354 -1.127 24.041 273 HE ARG 36 HE ARG 36 0.590 0.414 26.427 274 HH11 ARG 36 1HH1 ARG 36 3.145 -1.463 24.953 275 HH12 ARG 36 2HH1 ARG 36 3.938 -1.763 26.478 276 HH21 ARG 36 1HH2 ARG 36 1.614 -0.032 28.341 277 HH22 ARG 36 2HH2 ARG 36 3.071 -0.981 28.345 278 H MET 37 H MET 37 2.816 2.654 20.768 279 HA MET 37 HA MET 37 5.536 2.393 21.878 280 HB2 MET 37 2HB MET 37 4.631 2.058 18.993 281 HB3 MET 37 3HB MET 37 6.176 1.587 19.708 282 HG2 MET 37 2HG MET 37 4.564 0.197 21.348 283 HG3 MET 37 3HG MET 37 3.498 0.286 19.947 284 HE1 MET 37 3HE MET 37 5.948 -1.397 17.209 285 HE2 MET 37 1HE MET 37 4.560 -0.303 17.435 286 HE3 MET 37 2HE MET 37 6.218 0.279 17.717 287 H GLY 38 H GLY 38 3.810 5.030 20.644 288 HA2 GLY 38 2HA GLY 38 4.927 7.183 20.834 289 HA3 GLY 38 3HA GLY 38 6.323 6.531 19.983 290 H PHE 39 H PHE 39 3.731 5.303 18.306 291 HA PHE 39 HA PHE 39 3.881 7.204 16.106 292 HB2 PHE 39 2HB PHE 39 1.950 4.935 16.705 293 HB3 PHE 39 3HB PHE 39 1.973 5.867 15.214 294 HD1 PHE 39 2HD PHE 39 4.057 5.840 13.734 295 HD2 PHE 39 1HD PHE 39 3.331 2.969 16.865 296 HE1 PHE 39 2HE PHE 39 5.599 4.235 12.635 297 HE2 PHE 39 1HE PHE 39 4.844 1.366 15.749 298 HZ PHE 39 HZ PHE 39 5.977 1.985 13.638 299 H SER 40 H SER 40 1.906 8.250 15.179 300 HA SER 40 HA SER 40 0.416 9.771 17.279 301 HB2 SER 40 2HB SER 40 0.844 10.329 14.315 302 HB3 SER 40 3HB SER 40 -0.051 11.359 15.446 303 HG SER 40 HG SER 40 2.717 10.671 15.587 304 H PHE 41 H PHE 41 -1.779 9.735 17.444 305 HA PHE 41 HA PHE 41 -3.429 7.697 16.540 306 HB2 PHE 41 2HB PHE 41 -3.903 10.462 17.602 307 HB3 PHE 41 3HB PHE 41 -5.251 9.701 16.793 308 HD1 PHE 41 2HD PHE 41 -6.056 7.405 17.511 309 HD2 PHE 41 1HD PHE 41 -3.421 9.845 19.903 310 HE1 PHE 41 2HE PHE 41 -6.695 6.116 19.536 311 HE2 PHE 41 1HE PHE 41 -4.070 8.553 21.923 312 HZ PHE 41 HZ PHE 41 -5.703 6.687 21.742 313 H LYS 42 H LYS 42 -3.139 10.869 14.985 314 HA LYS 42 HA LYS 42 -4.961 10.433 12.867 315 HB2 LYS 42 2HB LYS 42 -4.012 12.379 11.801 316 HB3 LYS 42 3HB LYS 42 -4.228 12.620 13.520 317 HG2 LYS 42 2HG LYS 42 -2.186 13.614 13.229 318 HG3 LYS 42 3HG LYS 42 -1.690 12.010 13.739 319 HD2 LYS 42 2HD LYS 42 -0.270 12.647 11.952 320 HD3 LYS 42 3HD LYS 42 -1.346 11.438 11.276 321 HE2 LYS 42 2HE LYS 42 -2.750 13.202 10.261 322 HE3 LYS 42 3HE LYS 42 -1.712 14.440 10.983 323 HZ1 LYS 42 3HZ LYS 42 0.137 13.585 9.687 324 HZ2 LYS 42 1HZ LYS 42 -1.092 13.940 8.661 325 HZ3 LYS 42 2HZ LYS 42 -0.764 12.382 9.063 326 H ASP 43 H ASP 43 -1.647 9.272 13.075 327 HA ASP 43 HA ASP 43 -1.565 8.524 10.212 328 HB2 ASP 43 2HB ASP 43 0.300 8.018 12.553 329 HB3 ASP 43 3HB ASP 43 0.473 7.171 11.025 330 H ILE 44 H ILE 44 -2.268 6.911 13.333 331 HA ILE 44 HA ILE 44 -2.370 4.297 12.141 332 HB ILE 44 HB ILE 44 -3.985 4.934 14.607 333 HG12 ILE 44 2HG1 ILE 44 -1.961 5.915 15.307 334 HG13 ILE 44 3HG1 ILE 44 -1.977 4.294 15.955 335 HG21 ILE 44 1HG2 ILE 44 -3.237 2.572 15.128 336 HG22 ILE 44 2HG2 ILE 44 -4.213 2.696 13.656 337 HG23 ILE 44 3HG2 ILE 44 -2.458 2.496 13.548 338 HD11 ILE 44 3HD1 ILE 44 -0.541 3.659 13.882 339 HD12 ILE 44 1HD1 ILE 44 -0.208 5.399 13.785 340 HD13 ILE 44 2HD1 ILE 44 0.192 4.478 15.253 341 H LYS 45 H LYS 45 -5.032 6.600 12.928 342 HA LYS 45 HA LYS 45 -7.090 5.003 11.694 343 HB2 LYS 45 2HB LYS 45 -8.494 6.971 11.633 344 HB3 LYS 45 3HB LYS 45 -7.692 6.773 13.174 345 HG2 LYS 45 2HG LYS 45 -7.450 9.013 12.963 346 HG3 LYS 45 3HG LYS 45 -5.953 8.483 12.235 347 HD2 LYS 45 2HD LYS 45 -6.671 10.194 10.869 348 HD3 LYS 45 3HD LYS 45 -7.130 8.790 9.933 349 HE2 LYS 45 2HE LYS 45 -9.105 10.171 11.795 350 HE3 LYS 45 3HE LYS 45 -8.722 10.829 10.210 351 HZ1 LYS 45 3HZ LYS 45 -9.357 8.581 9.275 352 HZ2 LYS 45 1HZ LYS 45 -10.584 9.490 9.870 353 HZ3 LYS 45 2HZ LYS 45 -10.021 8.227 10.728 354 H LYS 46 H LYS 46 -4.935 7.418 10.263 355 HA LYS 46 HA LYS 46 -5.999 7.344 7.611 356 HB2 LYS 46 2HB LYS 46 -4.651 9.169 8.334 357 HB3 LYS 46 3HB LYS 46 -3.270 8.110 8.673 358 HG2 LYS 46 2HG LYS 46 -2.909 7.664 6.355 359 HG3 LYS 46 3HG LYS 46 -4.423 8.458 5.881 360 HD2 LYS 46 2HD LYS 46 -3.587 10.600 6.228 361 HD3 LYS 46 3HD LYS 46 -2.355 10.069 7.392 362 HE2 LYS 46 2HE LYS 46 -1.031 9.026 5.653 363 HE3 LYS 46 3HE LYS 46 -2.289 9.305 4.444 364 HZ1 LYS 46 3HZ LYS 46 -1.918 11.709 4.727 365 HZ2 LYS 46 1HZ LYS 46 -0.546 10.962 4.259 366 HZ3 LYS 46 2HZ LYS 46 -0.720 11.430 5.810 367 H ILE 47 H ILE 47 -3.377 5.317 9.038 368 HA ILE 47 HA ILE 47 -3.086 3.952 6.484 369 HB ILE 47 HB ILE 47 -1.305 4.225 8.345 370 HG12 ILE 47 2HG1 ILE 47 -1.636 1.644 6.770 371 HG13 ILE 47 3HG1 ILE 47 -1.106 3.188 6.107 372 HG21 ILE 47 1HG2 ILE 47 -2.546 3.038 10.159 373 HG22 ILE 47 2HG2 ILE 47 -2.455 1.530 9.218 374 HG23 ILE 47 3HG2 ILE 47 -0.989 2.300 9.814 375 HD11 ILE 47 3HD1 ILE 47 0.395 1.524 8.149 376 HD12 ILE 47 1HD1 ILE 47 0.832 1.875 6.463 377 HD13 ILE 47 2HD1 ILE 47 0.839 3.182 7.656 378 H MET 48 H MET 48 -4.891 3.210 9.453 379 HA MET 48 HA MET 48 -5.878 0.636 8.751 380 HB2 MET 48 2HB MET 48 -6.939 2.908 10.457 381 HB3 MET 48 3HB MET 48 -7.890 1.451 10.190 382 HG2 MET 48 2HG MET 48 -5.043 1.175 11.129 383 HG3 MET 48 3HG MET 48 -6.319 1.608 12.270 384 HE1 MET 48 3HE MET 48 -5.511 -2.280 12.819 385 HE2 MET 48 1HE MET 48 -4.359 -1.132 12.108 386 HE3 MET 48 2HE MET 48 -5.334 -0.650 13.514 387 H GLU 49 H GLU 49 -7.530 3.811 8.225 388 HA GLU 49 HA GLU 49 -9.690 2.756 6.723 389 HB2 GLU 49 2HB GLU 49 -10.200 5.007 6.092 390 HB3 GLU 49 3HB GLU 49 -9.608 5.014 7.754 391 HG2 GLU 49 2HG GLU 49 -7.316 5.600 6.758 392 HG3 GLU 49 3HG GLU 49 -8.140 5.870 5.228 393 H GLU 50 H GLU 50 -6.522 3.947 5.533 394 HA GLU 50 HA GLU 50 -7.106 3.562 2.757 395 HB2 GLU 50 2HB GLU 50 -5.336 5.036 3.676 396 HB3 GLU 50 3HB GLU 50 -4.391 3.607 4.132 397 HG2 GLU 50 2HG GLU 50 -4.220 2.948 1.767 398 HG3 GLU 50 3HG GLU 50 -5.312 4.252 1.293 399 H LYS 51 H LYS 51 -5.427 1.396 5.103 400 HA LYS 51 HA LYS 51 -4.846 -0.745 3.331 401 HB2 LYS 51 2HB LYS 51 -4.053 -0.478 5.720 402 HB3 LYS 51 3HB LYS 51 -5.659 -0.944 6.266 403 HG2 LYS 51 2HG LYS 51 -4.327 -2.875 6.434 404 HG3 LYS 51 3HG LYS 51 -5.324 -3.161 5.015 405 HD2 LYS 51 2HD LYS 51 -3.475 -2.721 3.517 406 HD3 LYS 51 3HD LYS 51 -2.516 -1.991 4.818 407 HE2 LYS 51 2HE LYS 51 -2.583 -4.240 6.006 408 HE3 LYS 51 3HE LYS 51 -3.279 -4.926 4.531 409 HZ1 LYS 51 3HZ LYS 51 -1.251 -4.141 3.354 410 HZ2 LYS 51 1HZ LYS 51 -0.859 -5.175 4.562 411 HZ3 LYS 51 2HZ LYS 51 -0.634 -3.571 4.756 412 H ILE 52 H ILE 52 -7.752 -0.281 5.347 413 HA ILE 52 HA ILE 52 -9.177 -2.575 4.380 414 HB ILE 52 HB ILE 52 -10.266 0.002 5.564 415 HG12 ILE 52 2HG1 ILE 52 -9.859 -2.652 7.017 416 HG13 ILE 52 3HG1 ILE 52 -8.587 -1.448 6.973 417 HG21 ILE 52 1HG2 ILE 52 -12.262 -1.405 6.159 418 HG22 ILE 52 2HG2 ILE 52 -12.060 -1.258 4.419 419 HG23 ILE 52 3HG2 ILE 52 -11.563 -2.752 5.241 420 HD11 ILE 52 3HD1 ILE 52 -9.739 -1.095 9.008 421 HD12 ILE 52 1HD1 ILE 52 -10.208 0.239 7.949 422 HD13 ILE 52 2HD1 ILE 52 -11.330 -1.116 8.227 423 H GLN 53 H GLN 53 -9.287 0.850 3.267 424 HA GLN 53 HA GLN 53 -11.222 0.517 1.224 425 HB2 GLN 53 2HB GLN 53 -10.501 2.658 2.167 426 HB3 GLN 53 3HB GLN 53 -8.899 2.475 1.441 427 HG2 GLN 53 2HG GLN 53 -9.910 2.585 -0.819 428 HG3 GLN 53 3HG GLN 53 -11.521 2.711 -0.101 429 HE21 GLN 53 1HE2 GLN 53 -8.836 4.552 -1.247 430 HE22 GLN 53 2HE2 GLN 53 -9.335 6.070 -0.508 431 H ILE 54 H ILE 54 -7.650 0.392 0.933 432 HA ILE 54 HA ILE 54 -7.692 -0.186 -1.915 433 HB ILE 54 HB ILE 54 -5.468 -0.218 0.154 434 HG12 ILE 54 2HG1 ILE 54 -6.429 2.033 -0.223 435 HG13 ILE 54 3HG1 ILE 54 -4.767 1.904 -0.753 436 HG21 ILE 54 1HG2 ILE 54 -4.707 -1.657 -1.605 437 HG22 ILE 54 2HG2 ILE 54 -5.278 -0.544 -2.864 438 HG23 ILE 54 3HG2 ILE 54 -3.908 -0.100 -1.819 439 HD11 ILE 54 3HD1 ILE 54 -5.530 1.781 -3.122 440 HD12 ILE 54 1HD1 ILE 54 -7.219 1.910 -2.569 441 HD13 ILE 54 2HD1 ILE 54 -6.087 3.245 -2.303 442 H SER 55 H SER 55 -6.811 -2.205 0.938 443 HA SER 55 HA SER 55 -6.339 -4.558 -0.737 444 HB2 SER 55 2HB SER 55 -5.047 -3.944 1.344 445 HB3 SER 55 3HB SER 55 -6.478 -4.389 2.295 446 HG SER 55 HG SER 55 -4.982 -6.127 2.080 447 H GLY 56 H GLY 56 -8.964 -3.442 1.364 448 HA2 GLY 56 2HA GLY 56 -11.228 -4.149 1.084 449 HA3 GLY 56 3HA GLY 56 -10.689 -5.737 0.555 450 H SER 57 H SER 57 -8.745 -5.276 3.121 451 HA SER 57 HA SER 57 -10.668 -6.081 5.257 452 HB2 SER 57 2HB SER 57 -8.186 -7.666 4.473 453 HB3 SER 57 3HB SER 57 -9.231 -8.002 5.859 454 HG SER 57 HG SER 57 -10.953 -8.393 4.390 455 H ASN 58 H ASN 58 -9.721 -6.161 7.395 456 HA ASN 58 HA ASN 58 -7.941 -3.922 7.983 457 HB2 ASN 58 2HB ASN 58 -10.078 -4.843 9.238 458 HB3 ASN 58 3HB ASN 58 -8.953 -5.962 9.993 459 HD21 ASN 58 1HD2 ASN 58 -10.538 -3.127 10.552 460 HD22 ASN 58 2HD2 ASN 58 -9.294 -2.337 11.529 461 H TYR 59 H TYR 59 -6.220 -4.359 9.746 462 HA TYR 59 HA TYR 59 -4.075 -6.001 8.704 463 HB2 TYR 59 2HB TYR 59 -4.489 -4.269 11.166 464 HB3 TYR 59 3HB TYR 59 -3.051 -5.261 10.977 465 HD1 TYR 59 2HD TYR 59 -1.510 -4.978 9.090 466 HD2 TYR 59 1HD TYR 59 -4.714 -2.191 9.835 467 HE1 TYR 59 2HE TYR 59 -0.405 -3.321 7.611 468 HE2 TYR 59 1HE TYR 59 -3.592 -0.521 8.343 469 HH TYR 59 HH TYR 59 -0.671 -1.381 6.485 470 H LYS 60 H LYS 60 -3.080 -7.737 9.606 471 HA LYS 60 HA LYS 60 -4.772 -9.762 10.867 472 HB2 LYS 60 2HB LYS 60 -1.810 -9.852 10.120 473 HB3 LYS 60 3HB LYS 60 -2.821 -11.231 10.566 474 HG2 LYS 60 2HG LYS 60 -4.256 -10.817 8.571 475 HG3 LYS 60 3HG LYS 60 -3.220 -9.450 8.115 476 HD2 LYS 60 2HD LYS 60 -1.261 -11.010 7.999 477 HD3 LYS 60 3HD LYS 60 -2.364 -12.366 8.322 478 HE2 LYS 60 2HE LYS 60 -3.675 -11.762 6.292 479 HE3 LYS 60 3HE LYS 60 -2.577 -10.412 5.983 480 HZ1 LYS 60 3HZ LYS 60 -1.968 -12.355 4.667 481 HZ2 LYS 60 1HZ LYS 60 -1.788 -13.278 5.999 482 HZ3 LYS 60 2HZ LYS 60 -0.768 -12.030 5.723 483 H SER 61 H SER 61 -1.663 -8.349 11.762 484 HA SER 61 HA SER 61 -2.197 -8.428 14.668 485 HB2 SER 61 2HB SER 61 0.208 -9.806 13.385 486 HB3 SER 61 3HB SER 61 -0.064 -9.607 15.121 487 HG SER 61 HG SER 61 -1.922 -10.929 14.927 488 H LEU 62 H LEU 62 -0.308 -7.362 15.846 489 HA LEU 62 HA LEU 62 0.139 -4.775 14.797 490 HB2 LEU 62 2HB LEU 62 1.533 -6.307 17.034 491 HB3 LEU 62 3HB LEU 62 1.952 -4.660 16.616 492 HG LEU 62 HG LEU 62 0.565 -4.614 18.517 493 HD11 LEU 62 1HD1 LEU 62 -1.110 -3.665 16.158 494 HD12 LEU 62 2HD1 LEU 62 0.268 -2.788 16.863 495 HD13 LEU 62 3HD1 LEU 62 -1.188 -3.085 17.822 496 HD21 LEU 62 3HD2 LEU 62 -1.713 -5.384 18.645 497 HD22 LEU 62 1HD2 LEU 62 -0.668 -6.743 18.207 498 HD23 LEU 62 2HD2 LEU 62 -1.681 -5.953 16.969 499 H GLU 63 H GLU 63 2.227 -7.612 14.534 500 HA GLU 63 HA GLU 63 4.621 -6.493 13.606 501 HB2 GLU 63 2HB GLU 63 3.189 -9.033 12.728 502 HB3 GLU 63 3HB GLU 63 4.835 -8.609 12.235 503 HG2 GLU 63 2HG GLU 63 5.585 -8.598 14.568 504 HG3 GLU 63 3HG GLU 63 3.941 -8.912 15.131 505 H VAL 64 H VAL 64 1.776 -7.291 11.597 506 HA VAL 64 HA VAL 64 2.924 -6.269 9.123 507 HB VAL 64 HB VAL 64 -0.031 -6.677 9.716 508 HG11 VAL 64 1HG1 VAL 64 1.578 -6.839 7.125 509 HG12 VAL 64 2HG1 VAL 64 -0.173 -7.093 7.287 510 HG13 VAL 64 3HG1 VAL 64 0.519 -5.494 7.581 511 HG21 VAL 64 3HG2 VAL 64 2.018 -8.732 8.793 512 HG22 VAL 64 1HG2 VAL 64 1.039 -8.790 10.278 513 HG23 VAL 64 2HG2 VAL 64 0.256 -8.949 8.705 514 H LEU 65 H LEU 65 0.713 -4.979 11.577 515 HA LEU 65 HA LEU 65 -0.015 -2.559 10.316 516 HB2 LEU 65 2HB LEU 65 -0.778 -3.831 12.577 517 HB3 LEU 65 3HB LEU 65 0.299 -2.657 13.304 518 HG LEU 65 HG LEU 65 -2.315 -2.269 11.849 519 HD11 LEU 65 1HD1 LEU 65 -2.275 -2.537 14.294 520 HD12 LEU 65 2HD1 LEU 65 -2.808 -0.905 13.861 521 HD13 LEU 65 3HD1 LEU 65 -1.158 -1.166 14.441 522 HD21 LEU 65 3HD2 LEU 65 -0.293 -0.057 12.280 523 HD22 LEU 65 1HD2 LEU 65 -2.014 0.203 11.919 524 HD23 LEU 65 2HD2 LEU 65 -0.980 -0.582 10.728 525 H VAL 66 H VAL 66 2.580 -3.063 12.751 526 HA VAL 66 HA VAL 66 3.522 -0.346 12.584 527 HB VAL 66 HB VAL 66 5.296 -0.908 14.030 528 HG11 VAL 66 1HG1 VAL 66 2.733 -2.356 14.817 529 HG12 VAL 66 2HG1 VAL 66 4.027 -1.908 15.916 530 HG13 VAL 66 3HG1 VAL 66 3.122 -0.645 15.059 531 HG21 VAL 66 3HG2 VAL 66 4.681 -3.840 13.535 532 HG22 VAL 66 1HG2 VAL 66 6.180 -2.971 13.173 533 HG23 VAL 66 2HG2 VAL 66 5.698 -3.226 14.851 534 H ALA 67 H ALA 67 4.544 -3.276 10.880 535 HA ALA 67 HA ALA 67 6.882 -2.175 9.631 536 HB1 ALA 67 1HB ALA 67 4.946 -4.340 8.693 537 HB2 ALA 67 2HB ALA 67 6.548 -4.010 8.000 538 HB3 ALA 67 3HB ALA 67 6.410 -4.579 9.674 539 H ASP 68 H ASP 68 3.463 -2.362 8.478 540 HA ASP 68 HA ASP 68 3.877 -0.773 6.123 541 HB2 ASP 68 2HB ASP 68 1.444 -1.472 7.785 542 HB3 ASP 68 3HB ASP 68 1.354 -0.323 6.457 543 H LEU 69 H LEU 69 2.971 0.217 9.458 544 HA LEU 69 HA LEU 69 2.608 2.983 8.971 545 HB2 LEU 69 2HB LEU 69 3.579 1.430 11.366 546 HB3 LEU 69 3HB LEU 69 3.586 3.180 11.400 547 HG LEU 69 HG LEU 69 1.060 1.626 10.764 548 HD11 LEU 69 1HD1 LEU 69 1.909 0.981 13.009 549 HD12 LEU 69 2HD1 LEU 69 0.443 1.931 13.111 550 HD13 LEU 69 3HD1 LEU 69 2.015 2.693 13.461 551 HD21 LEU 69 3HD2 LEU 69 1.058 4.036 10.128 552 HD22 LEU 69 1HD2 LEU 69 1.572 4.469 11.772 553 HD23 LEU 69 2HD2 LEU 69 -0.020 3.739 11.492 554 H VAL 70 H VAL 70 5.724 1.473 10.041 555 HA VAL 70 HA VAL 70 7.140 3.946 9.691 556 HB VAL 70 HB VAL 70 9.213 2.751 9.845 557 HG11 VAL 70 1HG1 VAL 70 7.887 3.220 11.890 558 HG12 VAL 70 2HG1 VAL 70 7.213 1.577 11.795 559 HG13 VAL 70 3HG1 VAL 70 8.950 1.813 12.052 560 HG21 VAL 70 3HG2 VAL 70 8.810 0.727 8.519 561 HG22 VAL 70 1HG2 VAL 70 9.344 0.312 10.151 562 HG23 VAL 70 2HG2 VAL 70 7.633 0.159 9.721 563 H ASN 71 H ASN 71 6.505 1.348 7.368 564 HA ASN 71 HA ASN 71 8.142 2.368 5.241 565 HB2 ASN 71 2HB ASN 71 7.240 0.073 5.328 566 HB3 ASN 71 3HB ASN 71 5.595 0.690 5.195 567 HD21 ASN 71 1HD2 ASN 71 4.761 0.674 3.117 568 HD22 ASN 71 2HD2 ASN 71 5.774 0.708 1.680 569 H ALA 72 H ALA 72 4.683 2.986 6.042 570 HA ALA 72 HA ALA 72 4.210 4.775 3.839 571 HB1 ALA 72 1HB ALA 72 2.104 5.238 5.038 572 HB2 ALA 72 2HB ALA 72 2.437 3.497 4.976 573 HB3 ALA 72 3HB ALA 72 2.729 4.404 6.479 574 H GLN 73 H GLN 73 5.301 5.345 7.186 575 HA GLN 73 HA GLN 73 5.200 8.244 7.044 576 HB2 GLN 73 2HB GLN 73 6.699 6.302 8.839 577 HB3 GLN 73 3HB GLN 73 6.833 8.057 8.993 578 HG2 GLN 73 2HG GLN 73 4.373 8.232 9.310 579 HG3 GLN 73 3HG GLN 73 4.241 6.476 9.289 580 HE21 GLN 73 1HE2 GLN 73 3.673 8.513 11.539 581 HE22 GLN 73 2HE2 GLN 73 4.749 7.962 12.826 582 H LYS 74 H LYS 74 7.707 5.876 6.181 583 HA LYS 74 HA LYS 74 9.788 7.809 5.526 584 HB2 LYS 74 2HB LYS 74 9.287 4.886 4.856 585 HB3 LYS 74 3HB LYS 74 10.652 5.763 4.159 586 HG2 LYS 74 2HG LYS 74 11.607 6.239 6.302 587 HG3 LYS 74 3HG LYS 74 10.165 5.671 7.156 588 HD2 LYS 74 2HD LYS 74 10.568 3.363 6.373 589 HD3 LYS 74 3HD LYS 74 11.947 3.910 5.415 590 HE2 LYS 74 2HE LYS 74 12.721 2.858 7.467 591 HE3 LYS 74 3HE LYS 74 13.167 4.566 7.438 592 HZ1 LYS 74 3HZ LYS 74 10.833 3.470 8.914 593 HZ2 LYS 74 1HZ LYS 74 11.340 5.026 8.954 594 HZ3 LYS 74 2HZ LYS 74 12.266 3.852 9.602 595 H ASP 75 H ASP 75 10.666 8.037 3.369 596 HA ASP 75 HA ASP 75 10.551 9.202 1.434 597 HB2 ASP 75 2HB ASP 75 10.240 6.818 0.740 598 HB3 ASP 75 3HB ASP 75 8.504 7.107 0.641 599 H SER 76 H SER 76 8.862 10.288 3.457 600 HA SER 76 HA SER 76 6.326 11.182 2.487 601 HB2 SER 76 2HB SER 76 7.127 11.209 4.871 602 HB3 SER 76 3HB SER 76 8.135 12.613 4.467 603 HG SER 76 HG SER 76 6.079 13.214 5.315 604 H MET 77 H MET 77 5.705 13.340 1.935 605 HA MET 77 HA MET 77 7.690 14.928 0.337 606 HB2 MET 77 2HB MET 77 5.001 13.960 -0.711 607 HB3 MET 77 3HB MET 77 6.100 15.080 -1.524 608 HG2 MET 77 2HG MET 77 7.866 13.259 -1.471 609 HG3 MET 77 3HG MET 77 6.629 12.167 -0.850 610 HE1 MET 77 3HE MET 77 8.139 14.003 -3.889 611 HE2 MET 77 1HE MET 77 6.893 13.865 -5.147 612 HE3 MET 77 2HE MET 77 6.638 14.950 -3.766 613 H GLN 78 H GLN 78 4.344 14.931 1.672 614 HA GLN 78 HA GLN 78 4.137 17.830 1.475 615 HB2 GLN 78 2HB GLN 78 2.169 16.295 1.328 616 HB3 GLN 78 3HB GLN 78 2.422 15.837 3.014 617 HG2 GLN 78 2HG GLN 78 0.648 17.466 2.904 618 HG3 GLN 78 3HG GLN 78 2.022 18.223 3.692 619 HE21 GLN 78 1HE2 GLN 78 -0.205 18.444 0.995 620 HE22 GLN 78 2HE2 GLN 78 0.573 19.847 0.267 621 H ASP 79 H ASP 79 4.769 19.303 2.918 622 HA ASP 79 HA ASP 79 5.360 18.615 5.751 623 HB2 ASP 79 2HB ASP 79 7.307 19.847 3.763 624 HB3 ASP 79 3HB ASP 79 7.466 20.082 5.496 625 H GLU 80 H GLU 80 5.802 20.622 7.026 626 HA GLU 80 HA GLU 80 4.337 23.051 6.104 627 HB2 GLU 80 2HB GLU 80 3.972 21.519 8.712 628 HB3 GLU 80 3HB GLU 80 3.460 23.185 8.518 629 HG2 GLU 80 2HG GLU 80 2.436 20.828 6.880 630 HG3 GLU 80 3HG GLU 80 1.614 21.571 8.245 631 H SER 81 H SER 81 4.821 24.955 7.461 632 HA SER 81 HA SER 81 7.207 24.902 9.148 633 HB2 SER 81 2HB SER 81 8.385 26.678 7.895 634 HB3 SER 81 3HB SER 81 8.278 25.169 6.984 635 HG SER 81 HG SER 81 6.585 26.060 5.770 636 H SER 82 H SER 82 7.565 26.891 10.311 637 HA SER 82 HA SER 82 5.600 29.050 10.255 638 HB2 SER 82 2HB SER 82 4.660 28.635 12.509 639 HB3 SER 82 3HB SER 82 4.206 27.383 11.352 640 HG SER 82 HG SER 82 4.874 26.504 13.367 641 H GLN 83 H GLN 83 5.900 30.610 12.046 642 HA GLN 83 HA GLN 83 8.725 30.909 12.878 643 HB2 GLN 83 2HB GLN 83 8.101 33.099 13.623 644 HB3 GLN 83 3HB GLN 83 7.477 32.839 11.995 645 HG2 GLN 83 2HG GLN 83 5.215 32.307 13.039 646 HG3 GLN 83 3HG GLN 83 5.876 32.802 14.598 647 HE21 GLN 83 1HE2 GLN 83 3.633 34.015 12.962 648 HE22 GLN 83 2HE2 GLN 83 4.153 35.682 12.733 649 H THR 84 H THR 84 9.315 31.273 15.112 650 HA THR 84 HA THR 84 7.456 30.349 17.236 651 HB THR 84 HB THR 84 10.250 29.171 17.105 652 HG1 THR 84 1HG THR 84 7.842 28.051 16.120 653 HG21 THR 84 3HG2 THR 84 9.266 27.478 18.613 654 HG22 THR 84 1HG2 THR 84 7.694 28.306 18.541 655 HG23 THR 84 2HG2 THR 84 9.092 29.098 19.296 656 H SER 85 H SER 85 7.640 31.586 19.016 657 HA SER 85 HA SER 85 9.627 33.685 19.293 658 HB2 SER 85 2HB SER 85 8.460 34.068 21.468 659 HB3 SER 85 3HB SER 85 7.386 34.048 20.067 660 HG SER 85 HG SER 85 7.714 32.057 22.069 661 H LEU 86 H LEU 86 10.775 33.945 21.430 662 HA LEU 86 HA LEU 86 11.688 31.477 22.744 663 HB2 LEU 86 2HB LEU 86 14.083 32.127 22.554 664 HB3 LEU 86 3HB LEU 86 13.323 31.593 21.074 665 HG LEU 86 HG LEU 86 13.207 33.904 20.228 666 HD11 LEU 86 1HD1 LEU 86 13.090 35.265 22.243 667 HD12 LEU 86 2HD1 LEU 86 14.556 35.680 21.366 668 HD13 LEU 86 3HD1 LEU 86 14.664 34.643 22.806 669 HD21 LEU 86 3HD2 LEU 86 15.971 33.103 21.225 670 HD22 LEU 86 1HD2 LEU 86 15.610 34.173 19.851 671 HD23 LEU 86 2HD2 LEU 86 15.163 32.463 19.777 672 H GLN 87 H GLN 87 13.282 32.122 24.566 673 HA GLN 87 HA GLN 87 12.462 34.636 25.928 674 HB2 GLN 87 2HB GLN 87 12.241 33.487 28.058 675 HB3 GLN 87 3HB GLN 87 11.075 32.868 26.890 676 HG2 GLN 87 2HG GLN 87 12.418 30.835 26.552 677 HG3 GLN 87 3HG GLN 87 13.717 31.487 27.551 678 HE21 GLN 87 1HE2 GLN 87 13.704 29.860 29.173 679 HE22 GLN 87 2HE2 GLN 87 12.310 29.649 30.226 680 H LYS 88 H LYS 88 13.928 35.290 27.626 681 HA LYS 88 HA LYS 88 16.540 34.017 27.870 682 HB2 LYS 88 2HB LYS 88 16.579 35.633 25.808 683 HB3 LYS 88 3HB LYS 88 16.451 36.935 26.978 684 HG2 LYS 88 2HG LYS 88 18.742 36.642 26.282 685 HG3 LYS 88 3HG LYS 88 18.624 36.213 27.983 686 HD2 LYS 88 2HD LYS 88 18.655 33.798 27.389 687 HD3 LYS 88 3HD LYS 88 18.648 34.222 25.664 688 HE2 LYS 88 2HE LYS 88 20.816 35.415 25.977 689 HE3 LYS 88 3HE LYS 88 20.816 34.956 27.685 690 HZ1 LYS 88 3HZ LYS 88 22.149 33.422 26.348 691 HZ2 LYS 88 1HZ LYS 88 20.872 33.043 25.407 692 HZ3 LYS 88 2HZ LYS 88 20.882 32.618 26.985 693 H GLU 89 H GLU 89 17.826 34.986 29.577 694 HA GLU 89 HA GLU 89 16.537 36.896 31.410 695 HB2 GLU 89 2HB GLU 89 16.787 35.530 33.376 696 HB3 GLU 89 3HB GLU 89 15.767 34.726 32.206 697 HG2 GLU 89 2HG GLU 89 17.033 32.979 33.002 698 HG3 GLU 89 3HG GLU 89 17.867 33.368 31.508 699 H ILE 90 H ILE 90 18.169 37.349 33.301 700 HA ILE 90 HA ILE 90 20.968 37.245 32.390 701 HB ILE 90 HB ILE 90 20.119 39.330 31.474 702 HG12 ILE 90 2HG1 ILE 90 21.705 40.940 32.483 703 HG13 ILE 90 3HG1 ILE 90 22.001 39.829 33.818 704 HG21 ILE 90 1HG2 ILE 90 18.280 39.809 33.079 705 HG22 ILE 90 2HG2 ILE 90 19.486 40.266 34.300 706 HG23 ILE 90 3HG2 ILE 90 19.335 41.195 32.801 707 HD11 ILE 90 3HD1 ILE 90 22.545 39.222 30.872 708 HD12 ILE 90 1HD1 ILE 90 23.759 39.763 32.046 709 HD13 ILE 90 2HD1 ILE 90 22.984 38.186 32.252 710 H SER 91 H SER 91 22.279 36.670 33.946 711 HA SER 91 HA SER 91 21.396 36.352 36.702 712 HB2 SER 91 2HB SER 91 22.946 34.769 35.616 713 HB3 SER 91 3HB SER 91 24.184 36.039 35.535 714 HG SER 91 HG SER 91 24.353 34.668 37.412 715 H THR 92 H THR 92 20.849 38.399 37.458 716 HA THR 92 HA THR 92 22.518 40.721 37.463 717 HB THR 92 HB THR 92 21.088 41.367 39.476 718 HG1 THR 92 1HG THR 92 19.361 40.039 39.917 719 HG21 THR 92 3HG2 THR 92 18.879 41.162 37.956 720 HG22 THR 92 1HG2 THR 92 20.071 40.732 36.716 721 HG23 THR 92 2HG2 THR 92 20.197 42.278 37.569 722 H GLU 93 H GLU 93 22.697 37.826 39.388 723 HA GLU 93 HA GLU 93 24.299 38.717 41.577 724 HB2 GLU 93 2HB GLU 93 24.437 36.068 40.084 725 HB3 GLU 93 3HB GLU 93 25.061 36.378 41.697 726 HG2 GLU 93 2HG GLU 93 22.124 36.436 40.870 727 HG3 GLU 93 3HG GLU 93 22.932 35.140 41.732 728 H GLU 94 H GLU 94 25.186 38.139 38.187 729 HA GLU 94 HA GLU 94 28.062 38.214 38.615 730 HB2 GLU 94 2HB GLU 94 26.860 37.145 36.702 731 HB3 GLU 94 3HB GLU 94 26.474 38.734 36.065 732 HG2 GLU 94 2HG GLU 94 29.324 37.793 36.621 733 HG3 GLU 94 3HG GLU 94 28.494 37.417 35.120 734 H GLN 95 H GLN 95 25.584 40.702 38.243 735 HA GLN 95 HA GLN 95 27.410 42.874 37.593 736 HB2 GLN 95 2HB GLN 95 24.663 43.027 38.897 737 HB3 GLN 95 3HB GLN 95 25.545 44.357 38.174 738 HG2 GLN 95 2HG GLN 95 24.504 41.918 36.662 739 HG3 GLN 95 3HG GLN 95 23.727 43.490 36.721 740 HE21 GLN 95 1HE2 GLN 95 24.452 42.251 34.255 741 HE22 GLN 95 2HE2 GLN 95 25.726 43.244 33.555 742 H LEU 96 H LEU 96 26.291 41.420 40.626 743 HA LEU 96 HA LEU 96 27.380 43.425 42.403 744 HB2 LEU 96 2HB LEU 96 26.553 40.523 42.763 745 HB3 LEU 96 3HB LEU 96 27.370 41.409 44.039 746 HG LEU 96 HG LEU 96 25.584 43.134 44.032 747 HD11 LEU 96 1HD1 LEU 96 24.129 41.197 42.184 748 HD12 LEU 96 2HD1 LEU 96 24.604 42.867 41.789 749 HD13 LEU 96 3HD1 LEU 96 23.385 42.571 43.026 750 HD21 LEU 96 3HD2 LEU 96 23.934 41.715 45.192 751 HD22 LEU 96 1HD2 LEU 96 25.586 41.251 45.623 752 HD23 LEU 96 2HD2 LEU 96 24.661 40.261 44.471 753 H ARG 97 H ARG 97 28.894 40.755 40.699 754 HA ARG 97 HA ARG 97 31.301 40.537 42.237 755 HB2 ARG 97 2HB ARG 97 30.430 38.951 40.440 756 HB3 ARG 97 3HB ARG 97 30.982 40.113 39.235 757 HG2 ARG 97 2HG ARG 97 32.552 38.301 39.447 758 HG3 ARG 97 3HG ARG 97 33.320 39.803 39.964 759 HD2 ARG 97 2HD ARG 97 33.098 39.180 42.308 760 HD3 ARG 97 3HD ARG 97 32.088 37.780 41.881 761 HE ARG 97 HE ARG 97 34.595 37.563 40.529 762 HH11 ARG 97 1HH1 ARG 97 33.388 37.262 43.794 763 HH12 ARG 97 2HH1 ARG 97 34.624 36.119 44.245 764 HH21 ARG 97 1HH2 ARG 97 36.127 36.097 41.146 765 HH22 ARG 97 2HH2 ARG 97 36.135 35.480 42.772 766 H ARG 98 H ARG 98 30.342 42.903 39.889 767 HA ARG 98 HA ARG 98 32.881 44.167 39.358 768 HB2 ARG 98 2HB ARG 98 30.639 44.304 38.119 769 HB3 ARG 98 3HB ARG 98 30.123 45.474 39.320 770 HG2 ARG 98 2HG ARG 98 32.639 45.871 37.638 771 HG3 ARG 98 3HG ARG 98 31.029 46.232 37.028 772 HD2 ARG 98 2HD ARG 98 30.747 47.734 39.139 773 HD3 ARG 98 3HD ARG 98 32.499 47.609 39.284 774 HE ARG 98 HE ARG 98 32.786 48.948 37.408 775 HH11 ARG 98 1HH1 ARG 98 29.379 48.163 37.581 776 HH12 ARG 98 2HH1 ARG 98 28.954 49.331 36.359 777 HH21 ARG 98 1HH2 ARG 98 32.183 50.410 35.856 778 HH22 ARG 98 2HH2 ARG 98 30.508 50.563 35.414 779 H LEU 99 H LEU 99 30.674 44.431 42.062 780 HA LEU 99 HA LEU 99 31.656 46.908 43.151 781 HB2 LEU 99 2HB LEU 99 29.432 45.518 43.536 782 HB3 LEU 99 3HB LEU 99 30.355 44.692 44.770 783 HG LEU 99 HG LEU 99 28.929 46.381 45.709 784 HD11 LEU 99 1HD1 LEU 99 31.164 46.047 46.788 785 HD12 LEU 99 2HD1 LEU 99 30.395 47.610 47.108 786 HD13 LEU 99 3HD1 LEU 99 31.724 47.518 45.947 787 HD21 LEU 99 3HD2 LEU 99 30.357 48.418 43.957 788 HD22 LEU 99 1HD2 LEU 99 29.251 48.806 45.283 789 HD23 LEU 99 2HD2 LEU 99 28.654 47.914 43.874 790 H GLN 100 H GLN 100 32.536 43.515 43.687 791 HA GLN 100 HA GLN 100 34.466 43.922 45.796 792 HB2 GLN 100 2HB GLN 100 34.128 41.688 43.752 793 HB3 GLN 100 3HB GLN 100 35.266 41.632 45.090 794 HG2 GLN 100 2HG GLN 100 32.238 41.894 45.407 795 HG3 GLN 100 3HG GLN 100 33.133 40.386 45.492 796 HE21 GLN 100 1HE2 GLN 100 31.609 40.906 47.674 797 HE22 GLN 100 2HE2 GLN 100 32.650 41.429 48.997 798 H GLU 101 H GLU 101 36.296 45.045 45.637 799 HA GLU 101 HA GLU 101 38.024 44.842 43.227 800 HB2 GLU 101 2HB GLU 101 36.499 46.797 42.942 801 HB3 GLU 101 3HB GLU 101 37.156 47.503 44.423 802 HG2 GLU 101 2HG GLU 101 39.432 47.510 43.379 803 HG3 GLU 101 3HG GLU 101 38.754 46.789 41.919 804 H GLU 102 H GLU 102 39.834 44.014 44.031 805 HA GLU 102 HA GLU 102 40.997 44.966 46.610 806 HB2 GLU 102 2HB GLU 102 41.596 42.576 44.825 807 HB3 GLU 102 3HB GLU 102 42.648 43.103 46.136 808 HG2 GLU 102 2HG GLU 102 41.303 41.341 46.987 809 HG3 GLU 102 3HG GLU 102 40.820 42.838 47.770 810 H LYS 103 H LYS 103 42.252 46.683 46.468 811 HA LYS 103 HA LYS 103 44.450 46.768 44.475 812 HB2 LYS 103 2HB LYS 103 44.152 49.035 43.898 813 HB3 LYS 103 3HB LYS 103 42.590 48.260 43.671 814 HG2 LYS 103 2HG LYS 103 41.816 49.207 45.858 815 HG3 LYS 103 3HG LYS 103 43.397 49.985 46.062 816 HD2 LYS 103 2HD LYS 103 43.009 51.231 43.896 817 HD3 LYS 103 3HD LYS 103 41.401 50.503 43.823 818 HE2 LYS 103 2HE LYS 103 41.078 52.666 44.726 819 HE3 LYS 103 3HE LYS 103 40.895 51.544 46.075 820 HZ1 LYS 103 3HZ LYS 103 43.189 52.104 46.741 821 HZ2 LYS 103 1HZ LYS 103 42.283 53.456 46.664 822 HZ3 LYS 103 2HZ LYS 103 43.346 53.126 45.474 823 H LEU 104 H LEU 104 45.968 48.654 45.111 824 HA LEU 104 HA LEU 104 46.524 48.619 48.052 825 HB2 LEU 104 2HB LEU 104 47.995 47.184 46.444 826 HB3 LEU 104 3HB LEU 104 48.694 48.713 45.933 827 HG LEU 104 HG LEU 104 48.682 47.553 48.757 828 HD11 LEU 104 1HD1 LEU 104 50.146 46.377 47.149 829 HD12 LEU 104 2HD1 LEU 104 51.088 47.243 48.371 830 HD13 LEU 104 3HD1 LEU 104 50.932 47.917 46.732 831 HD21 LEU 104 3HD2 LEU 104 50.349 49.341 49.277 832 HD22 LEU 104 1HD2 LEU 104 48.735 49.976 48.960 833 HD23 LEU 104 2HD2 LEU 104 49.992 50.096 47.705 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 35.183 4.645 5.424 2 H2 GLY 1 2H GLY 1 35.947 3.556 6.384 3 H3 GLY 1 3H GLY 1 35.938 5.149 6.795 4 HA2 GLY 1 2HA GLY 1 34.352 3.656 8.064 5 HA3 GLY 1 3HA GLY 1 33.715 5.168 7.397 6 H SER 2 H SER 2 31.909 3.280 7.956 7 HA SER 2 HA SER 2 30.975 2.341 5.269 8 HB2 SER 2 2HB SER 2 29.640 0.650 6.498 9 HB3 SER 2 3HB SER 2 31.388 0.416 6.643 10 HG SER 2 HG SER 2 30.317 0.184 8.662 11 H ALA 3 H ALA 3 28.752 2.556 4.825 12 HA ALA 3 HA ALA 3 27.469 4.953 5.869 13 HB1 ALA 3 1HB ALA 3 26.473 2.788 3.961 14 HB2 ALA 3 2HB ALA 3 25.727 4.378 4.221 15 HB3 ALA 3 3HB ALA 3 27.336 4.271 3.493 16 H MET 4 H MET 4 25.211 4.944 6.626 17 HA MET 4 HA MET 4 24.231 2.497 8.002 18 HB2 MET 4 2HB MET 4 24.613 5.228 9.312 19 HB3 MET 4 3HB MET 4 23.492 4.009 9.924 20 HG2 MET 4 2HG MET 4 25.392 2.382 10.060 21 HG3 MET 4 3HG MET 4 26.499 3.708 9.678 22 HE1 MET 4 3HE MET 4 27.711 2.771 12.018 23 HE2 MET 4 1HE MET 4 26.852 2.739 13.576 24 HE3 MET 4 2HE MET 4 26.348 1.651 12.265 25 H ALA 5 H ALA 5 22.037 2.363 8.219 26 HA ALA 5 HA ALA 5 20.333 4.366 6.791 27 HB1 ALA 5 1HB ALA 5 18.684 2.549 6.691 28 HB2 ALA 5 2HB ALA 5 20.230 2.043 5.981 29 HB3 ALA 5 3HB ALA 5 19.772 1.483 7.607 30 H ASP 6 H ASP 6 20.856 2.846 9.953 31 HA ASP 6 HA ASP 6 18.486 3.700 11.271 32 HB2 ASP 6 2HB ASP 6 21.271 3.061 12.320 33 HB3 ASP 6 3HB ASP 6 19.872 3.331 13.355 34 H ILE 7 H ILE 7 21.277 5.566 10.416 35 HA ILE 7 HA ILE 7 20.865 7.762 12.258 36 HB ILE 7 HB ILE 7 23.012 7.257 11.122 37 HG12 ILE 7 2HG1 ILE 7 23.728 9.516 10.564 38 HG13 ILE 7 3HG1 ILE 7 22.064 10.076 10.466 39 HG21 ILE 7 1HG2 ILE 7 22.120 6.680 8.863 40 HG22 ILE 7 2HG2 ILE 7 21.742 8.392 8.591 41 HG23 ILE 7 3HG2 ILE 7 23.421 7.870 8.803 42 HD11 ILE 7 3HD1 ILE 7 23.194 10.689 12.599 43 HD12 ILE 7 1HD1 ILE 7 21.766 9.687 12.887 44 HD13 ILE 7 2HD1 ILE 7 23.393 8.968 12.984 45 H GLY 8 H GLY 8 19.197 6.781 9.389 46 HA2 GLY 8 2HA GLY 8 18.091 9.416 8.696 47 HA3 GLY 8 3HA GLY 8 17.690 7.864 7.965 48 H SER 9 H SER 9 16.254 10.256 9.455 49 HA SER 9 HA SER 9 14.640 8.796 11.461 50 HB2 SER 9 2HB SER 9 14.537 11.699 10.565 51 HB3 SER 9 3HB SER 9 13.604 10.980 11.894 52 HG SER 9 HG SER 9 15.545 12.000 12.619 53 H GLU 10 H GLU 10 13.868 10.764 8.565 54 HA GLU 10 HA GLU 10 11.942 10.998 7.339 55 HB2 GLU 10 2HB GLU 10 12.097 7.975 7.296 56 HB3 GLU 10 3HB GLU 10 11.319 9.035 6.104 57 HG2 GLU 10 2HG GLU 10 13.490 9.959 5.453 58 HG3 GLU 10 3HG GLU 10 14.305 8.958 6.664 59 H PHE 11 H PHE 11 11.226 11.394 9.876 60 HA PHE 11 HA PHE 11 8.556 10.092 10.198 61 HB2 PHE 11 2HB PHE 11 10.032 9.053 11.778 62 HB3 PHE 11 3HB PHE 11 10.656 10.609 12.314 63 HD1 PHE 11 1HD PHE 11 7.194 9.137 11.831 64 HD2 PHE 11 2HD PHE 11 9.924 11.182 14.471 65 HE1 PHE 11 1HE PHE 11 5.429 9.252 13.560 66 HE2 PHE 11 2HE PHE 11 8.155 11.292 16.204 67 HZ PHE 11 HZ PHE 11 5.901 10.334 15.754 68 H GLU 12 H GLU 12 7.301 11.656 9.468 69 HA GLU 12 HA GLU 12 7.555 14.458 10.314 70 HB2 GLU 12 2HB GLU 12 6.954 13.839 7.994 71 HB3 GLU 12 3HB GLU 12 5.514 13.021 8.574 72 HG2 GLU 12 2HG GLU 12 4.935 15.175 7.650 73 HG3 GLU 12 3HG GLU 12 4.569 15.140 9.366 74 H LYS 13 H LYS 13 6.940 14.955 12.301 75 HA LYS 13 HA LYS 13 4.915 13.737 13.954 76 HB2 LYS 13 2HB LYS 13 6.219 16.493 13.902 77 HB3 LYS 13 3HB LYS 13 5.075 16.035 15.147 78 HG2 LYS 13 2HG LYS 13 7.560 14.361 14.613 79 HG3 LYS 13 3HG LYS 13 7.630 15.802 15.614 80 HD2 LYS 13 2HD LYS 13 5.732 13.486 16.190 81 HD3 LYS 13 3HD LYS 13 7.365 13.629 16.859 82 HE2 LYS 13 2HE LYS 13 6.776 15.838 17.847 83 HE3 LYS 13 3HE LYS 13 5.121 15.661 17.252 84 HZ1 LYS 13 3HZ LYS 13 5.321 14.956 19.566 85 HZ2 LYS 13 1HZ LYS 13 6.438 13.831 19.190 86 HZ3 LYS 13 2HZ LYS 13 4.903 13.673 18.649 87 H THR 14 H THR 14 2.919 14.760 14.675 88 HA THR 14 HA THR 14 1.442 16.177 12.487 89 HB THR 14 HB THR 14 0.690 13.875 12.989 90 HG1 THR 14 1HG THR 14 -1.302 15.749 13.657 91 HG21 THR 14 3HG2 THR 14 0.899 13.797 15.450 92 HG22 THR 14 1HG2 THR 14 -0.744 13.425 14.898 93 HG23 THR 14 2HG2 THR 14 -0.390 15.010 15.602 94 HA PRO 15 HA PRO 15 0.813 19.482 15.520 95 HB2 PRO 15 2HB PRO 15 -1.199 20.896 14.329 96 HB3 PRO 15 3HB PRO 15 0.476 20.890 13.703 97 HG2 PRO 15 2HG PRO 15 -1.859 19.187 12.774 98 HG3 PRO 15 3HG PRO 15 -0.745 20.174 11.773 99 HD2 PRO 15 2HD PRO 15 -0.373 17.509 12.125 100 HD3 PRO 15 3HD PRO 15 1.017 18.627 12.049 101 H SER 16 H SER 16 -0.991 20.328 16.898 102 HA SER 16 HA SER 16 -2.623 18.293 18.084 103 HB2 SER 16 2HB SER 16 -3.640 20.179 19.329 104 HB3 SER 16 3HB SER 16 -1.864 20.220 19.353 105 HG SER 16 HG SER 16 -2.900 22.281 18.888 106 H LEU 17 H LEU 17 -3.303 20.715 15.621 107 HA LEU 17 HA LEU 17 -6.171 20.163 15.561 108 HB2 LEU 17 2HB LEU 17 -5.036 22.443 15.215 109 HB3 LEU 17 3HB LEU 17 -4.575 21.868 13.618 110 HG LEU 17 HG LEU 17 -7.088 21.423 13.209 111 HD11 LEU 17 1HD1 LEU 17 -7.884 21.475 15.556 112 HD12 LEU 17 2HD1 LEU 17 -8.651 22.755 14.619 113 HD13 LEU 17 3HD1 LEU 17 -7.317 23.149 15.720 114 HD21 LEU 17 3HD2 LEU 17 -5.922 23.364 12.255 115 HD22 LEU 17 1HD2 LEU 17 -6.183 24.282 13.754 116 HD23 LEU 17 2HD2 LEU 17 -7.566 23.803 12.742 117 H THR 18 H THR 18 -6.457 18.098 14.992 118 HA THR 18 HA THR 18 -5.666 17.184 12.247 119 HB THR 18 HB THR 18 -4.431 16.020 13.989 120 HG1 THR 18 1HG THR 18 -5.125 13.908 13.362 121 HG21 THR 18 3HG2 THR 18 -5.521 14.414 15.494 122 HG22 THR 18 1HG2 THR 18 -7.122 14.997 14.991 123 HG23 THR 18 2HG2 THR 18 -6.016 16.068 15.873 124 H ARG 19 H ARG 19 -7.119 15.193 11.706 125 HA ARG 19 HA ARG 19 -9.871 16.074 11.242 126 HB2 ARG 19 2HB ARG 19 -8.312 13.505 10.806 127 HB3 ARG 19 3HB ARG 19 -10.047 13.509 10.566 128 HG2 ARG 19 2HG ARG 19 -8.331 15.560 9.118 129 HG3 ARG 19 3HG ARG 19 -8.442 13.898 8.552 130 HD2 ARG 19 2HD ARG 19 -10.061 15.051 7.311 131 HD3 ARG 19 3HD ARG 19 -10.946 14.100 8.505 132 HE ARG 19 HE ARG 19 -10.364 16.926 9.204 133 HH11 ARG 19 1HH1 ARG 19 -12.757 14.837 7.741 134 HH12 ARG 19 2HH1 ARG 19 -14.036 15.999 7.954 135 HH21 ARG 19 1HH2 ARG 19 -12.039 18.351 9.480 136 HH22 ARG 19 2HH2 ARG 19 -13.625 17.935 8.903 137 H ARG 20 H ARG 20 -11.736 14.810 11.825 138 HA ARG 20 HA ARG 20 -12.136 14.684 14.658 139 HB2 ARG 20 2HB ARG 20 -13.787 14.993 12.544 140 HB3 ARG 20 3HB ARG 20 -13.959 13.258 12.697 141 HG2 ARG 20 2HG ARG 20 -15.761 14.378 13.851 142 HG3 ARG 20 3HG ARG 20 -14.769 13.550 15.038 143 HD2 ARG 20 2HD ARG 20 -15.490 15.805 15.803 144 HD3 ARG 20 3HD ARG 20 -13.745 15.646 15.748 145 HE ARG 20 HE ARG 20 -13.623 17.283 14.123 146 HH11 ARG 20 1HH1 ARG 20 -16.992 16.359 14.285 147 HH12 ARG 20 2HH1 ARG 20 -17.482 17.612 13.177 148 HH21 ARG 20 1HH2 ARG 20 -14.300 18.852 12.732 149 HH22 ARG 20 2HH2 ARG 20 -15.986 18.988 12.332 150 H ILE 21 H ILE 21 -12.872 12.841 15.926 151 HA ILE 21 HA ILE 21 -11.156 10.603 15.923 152 HB ILE 21 HB ILE 21 -12.375 11.388 17.889 153 HG12 ILE 21 2HG1 ILE 21 -12.850 8.451 17.216 154 HG13 ILE 21 3HG1 ILE 21 -11.339 9.165 17.788 155 HG21 ILE 21 1HG2 ILE 21 -14.871 10.002 16.829 156 HG22 ILE 21 2HG2 ILE 21 -14.690 10.917 18.334 157 HG23 ILE 21 3HG2 ILE 21 -14.631 11.760 16.788 158 HD11 ILE 21 3HD1 ILE 21 -12.484 9.825 19.913 159 HD12 ILE 21 1HD1 ILE 21 -13.937 8.954 19.356 160 HD13 ILE 21 2HD1 ILE 21 -12.428 8.072 19.633 161 H ASP 22 H ASP 22 -11.053 8.782 14.823 162 HA ASP 22 HA ASP 22 -13.083 8.180 12.762 163 HB2 ASP 22 2HB ASP 22 -10.517 8.275 12.452 164 HB3 ASP 22 3HB ASP 22 -10.480 6.699 13.236 165 H ASP 23 H ASP 23 -14.573 6.560 12.971 166 HA ASP 23 HA ASP 23 -15.030 5.230 15.416 167 HB2 ASP 23 2HB ASP 23 -15.979 4.462 12.632 168 HB3 ASP 23 3HB ASP 23 -16.662 3.871 14.145 169 H THR 24 H THR 24 -12.943 4.229 12.790 170 HA THR 24 HA THR 24 -12.675 1.468 13.400 171 HB THR 24 HB THR 24 -10.533 3.286 12.253 172 HG1 THR 24 1HG THR 24 -11.999 3.521 10.819 173 HG21 THR 24 3HG2 THR 24 -10.978 0.278 12.114 174 HG22 THR 24 1HG2 THR 24 -9.554 1.151 12.722 175 HG23 THR 24 2HG2 THR 24 -9.931 1.169 10.993 176 H ILE 25 H ILE 25 -11.337 4.285 15.030 177 HA ILE 25 HA ILE 25 -9.190 3.064 16.487 178 HB ILE 25 HB ILE 25 -11.016 5.385 17.222 179 HG12 ILE 25 2HG1 ILE 25 -8.141 5.476 16.194 180 HG13 ILE 25 3HG1 ILE 25 -9.527 5.585 15.124 181 HG21 ILE 25 1HG2 ILE 25 -10.031 4.518 19.278 182 HG22 ILE 25 2HG2 ILE 25 -8.423 4.471 18.530 183 HG23 ILE 25 3HG2 ILE 25 -9.237 6.019 18.862 184 HD11 ILE 25 3HD1 ILE 25 -8.716 7.799 15.567 185 HD12 ILE 25 1HD1 ILE 25 -10.299 7.611 16.344 186 HD13 ILE 25 2HD1 ILE 25 -8.812 7.564 17.317 187 H PHE 26 H PHE 26 -12.673 3.356 17.237 188 HA PHE 26 HA PHE 26 -12.420 1.925 19.760 189 HB2 PHE 26 2HB PHE 26 -14.365 3.569 18.557 190 HB3 PHE 26 3HB PHE 26 -15.132 1.998 18.638 191 HD1 PHE 26 2HD PHE 26 -14.239 0.807 21.169 192 HD2 PHE 26 1HD PHE 26 -15.174 4.928 20.269 193 HE1 PHE 26 2HE PHE 26 -14.721 1.223 23.558 194 HE2 PHE 26 1HE PHE 26 -15.676 5.328 22.663 195 HZ PHE 26 HZ PHE 26 -15.441 3.481 24.316 196 H GLN 27 H GLN 27 -13.507 1.009 16.466 197 HA GLN 27 HA GLN 27 -14.381 -1.597 17.270 198 HB2 GLN 27 2HB GLN 27 -15.086 -1.896 15.152 199 HB3 GLN 27 3HB GLN 27 -14.932 -0.144 15.144 200 HG2 GLN 27 2HG GLN 27 -12.583 -0.535 14.110 201 HG3 GLN 27 3HG GLN 27 -13.053 -2.217 13.928 202 HE21 GLN 27 1HE2 GLN 27 -12.499 -1.493 11.563 203 HE22 GLN 27 2HE2 GLN 27 -13.879 -0.870 10.667 204 H ASN 28 H ASN 28 -11.168 -0.488 16.543 205 HA ASN 28 HA ASN 28 -10.194 -3.297 16.337 206 HB2 ASN 28 2HB ASN 28 -10.318 -1.545 14.274 207 HB3 ASN 28 3HB ASN 28 -8.710 -1.167 14.861 208 HD21 ASN 28 1HD2 ASN 28 -7.179 -3.074 15.078 209 HD22 ASN 28 2HD2 ASN 28 -7.521 -4.507 14.104 210 HA PRO 29 HA PRO 29 -8.227 -1.590 20.054 211 HB2 PRO 29 2HB PRO 29 -7.391 -3.927 21.242 212 HB3 PRO 29 3HB PRO 29 -9.087 -3.353 21.244 213 HG2 PRO 29 2HG PRO 29 -7.800 -5.341 19.347 214 HG3 PRO 29 3HG PRO 29 -9.338 -5.516 20.254 215 HD2 PRO 29 2HD PRO 29 -9.308 -4.720 17.671 216 HD3 PRO 29 3HD PRO 29 -10.452 -3.975 18.832 217 H MET 30 H MET 30 -6.627 -3.519 17.657 218 HA MET 30 HA MET 30 -3.888 -3.305 18.381 219 HB2 MET 30 2HB MET 30 -5.166 -3.119 15.623 220 HB3 MET 30 3HB MET 30 -3.459 -3.422 15.941 221 HG2 MET 30 2HG MET 30 -3.901 -5.560 16.910 222 HG3 MET 30 3HG MET 30 -5.634 -5.264 16.979 223 HE1 MET 30 3HE MET 30 -3.317 -6.086 13.043 224 HE2 MET 30 1HE MET 30 -3.421 -4.427 13.653 225 HE3 MET 30 2HE MET 30 -2.581 -5.666 14.610 226 H VAL 31 H VAL 31 -6.089 -0.788 17.290 227 HA VAL 31 HA VAL 31 -4.192 1.132 16.373 228 HB VAL 31 HB VAL 31 -6.946 1.507 17.615 229 HG11 VAL 31 1HG1 VAL 31 -6.862 3.752 16.480 230 HG12 VAL 31 2HG1 VAL 31 -5.822 3.628 17.892 231 HG13 VAL 31 3HG1 VAL 31 -5.137 3.539 16.258 232 HG21 VAL 31 3HG2 VAL 31 -7.694 1.816 15.314 233 HG22 VAL 31 1HG2 VAL 31 -6.031 1.688 14.707 234 HG23 VAL 31 2HG2 VAL 31 -6.836 0.283 15.409 235 H GLN 32 H GLN 32 -5.725 0.869 19.597 236 HA GLN 32 HA GLN 32 -4.365 2.948 20.906 237 HB2 GLN 32 2HB GLN 32 -5.326 0.267 21.984 238 HB3 GLN 32 3HB GLN 32 -4.864 1.619 23.002 239 HG2 GLN 32 2HG GLN 32 -7.116 1.822 20.940 240 HG3 GLN 32 3HG GLN 32 -7.355 1.242 22.578 241 HE21 GLN 32 1HE2 GLN 32 -8.932 3.143 22.558 242 HE22 GLN 32 2HE2 GLN 32 -8.244 4.682 23.061 243 H GLU 33 H GLU 33 -3.359 -0.440 20.576 244 HA GLU 33 HA GLU 33 -0.909 -0.307 22.045 245 HB2 GLU 33 2HB GLU 33 -2.072 -2.386 21.512 246 HB3 GLU 33 3HB GLU 33 -1.847 -2.112 19.795 247 HG2 GLU 33 2HG GLU 33 -0.314 -3.807 20.624 248 HG3 GLU 33 3HG GLU 33 0.557 -2.424 19.978 249 H ALA 34 H ALA 34 -1.556 0.420 18.577 250 HA ALA 34 HA ALA 34 1.208 0.735 17.851 251 HB1 ALA 34 1HB ALA 34 -0.597 0.358 16.211 252 HB2 ALA 34 2HB ALA 34 -1.264 1.966 16.569 253 HB3 ALA 34 3HB ALA 34 0.351 1.810 15.849 254 H ILE 35 H ILE 35 -1.252 3.253 18.754 255 HA ILE 35 HA ILE 35 0.612 5.443 18.784 256 HB ILE 35 HB ILE 35 -1.935 5.069 20.402 257 HG12 ILE 35 2HG1 ILE 35 -2.291 7.202 18.642 258 HG13 ILE 35 3HG1 ILE 35 -1.272 6.145 17.684 259 HG21 ILE 35 1HG2 ILE 35 -1.842 7.516 20.833 260 HG22 ILE 35 2HG2 ILE 35 -0.557 6.651 21.649 261 HG23 ILE 35 3HG2 ILE 35 -0.201 7.558 20.161 262 HD11 ILE 35 3HD1 ILE 35 -2.881 4.336 17.956 263 HD12 ILE 35 1HD1 ILE 35 -3.864 5.295 19.068 264 HD13 ILE 35 2HD1 ILE 35 -3.728 5.749 17.355 265 H ARG 36 H ARG 36 -0.159 3.098 21.355 266 HA ARG 36 HA ARG 36 1.414 4.240 23.416 267 HB2 ARG 36 2HB ARG 36 -0.300 2.539 23.722 268 HB3 ARG 36 3HB ARG 36 0.694 1.327 22.910 269 HG2 ARG 36 2HG ARG 36 2.309 1.318 24.677 270 HG3 ARG 36 3HG ARG 36 1.618 2.765 25.427 271 HD2 ARG 36 2HD ARG 36 0.117 0.129 25.118 272 HD3 ARG 36 3HD ARG 36 1.064 0.533 26.545 273 HE ARG 36 HE ARG 36 -1.559 1.599 25.802 274 HH11 ARG 36 1HH1 ARG 36 1.217 2.241 27.829 275 HH12 ARG 36 2HH1 ARG 36 0.322 3.301 28.882 276 HH21 ARG 36 1HH2 ARG 36 -2.646 2.960 27.169 277 HH22 ARG 36 2HH2 ARG 36 -1.811 3.689 28.509 278 H MET 37 H MET 37 2.620 2.534 20.602 279 HA MET 37 HA MET 37 5.322 2.220 21.770 280 HB2 MET 37 2HB MET 37 4.459 1.944 18.869 281 HB3 MET 37 3HB MET 37 6.027 1.529 19.571 282 HG2 MET 37 2HG MET 37 4.494 0.025 21.178 283 HG3 MET 37 3HG MET 37 3.423 0.090 19.779 284 HE1 MET 37 3HE MET 37 6.037 -1.342 17.012 285 HE2 MET 37 1HE MET 37 4.659 -0.236 17.252 286 HE3 MET 37 2HE MET 37 6.313 0.294 17.636 287 H GLY 38 H GLY 38 3.645 4.910 20.576 288 HA2 GLY 38 2HA GLY 38 4.770 7.047 20.828 289 HA3 GLY 38 3HA GLY 38 6.185 6.401 20.006 290 H PHE 39 H PHE 39 3.561 5.257 18.274 291 HA PHE 39 HA PHE 39 3.850 7.154 16.082 292 HB2 PHE 39 2HB PHE 39 1.899 4.899 16.637 293 HB3 PHE 39 3HB PHE 39 1.876 5.859 15.167 294 HD1 PHE 39 2HD PHE 39 4.006 5.955 13.701 295 HD2 PHE 39 1HD PHE 39 3.256 2.914 16.670 296 HE1 PHE 39 2HE PHE 39 5.563 4.413 12.540 297 HE2 PHE 39 1HE PHE 39 4.799 1.386 15.498 298 HZ PHE 39 HZ PHE 39 5.948 2.120 13.434 299 H SER 40 H SER 40 1.909 8.189 15.073 300 HA SER 40 HA SER 40 0.424 9.853 17.053 301 HB2 SER 40 2HB SER 40 0.811 10.111 14.043 302 HB3 SER 40 3HB SER 40 -0.096 11.238 15.061 303 HG SER 40 HG SER 40 2.682 10.608 15.253 304 H PHE 41 H PHE 41 -1.794 9.831 17.242 305 HA PHE 41 HA PHE 41 -3.420 7.697 16.439 306 HB2 PHE 41 2HB PHE 41 -3.902 10.436 17.514 307 HB3 PHE 41 3HB PHE 41 -5.246 9.741 16.639 308 HD1 PHE 41 2HD PHE 41 -6.158 7.458 17.272 309 HD2 PHE 41 1HD PHE 41 -3.468 9.706 19.792 310 HE1 PHE 41 2HE PHE 41 -6.852 6.104 19.236 311 HE2 PHE 41 1HE PHE 41 -4.177 8.348 21.749 312 HZ PHE 41 HZ PHE 41 -5.866 6.545 21.470 313 H LYS 42 H LYS 42 -3.119 10.805 14.785 314 HA LYS 42 HA LYS 42 -4.871 10.464 12.614 315 HB2 LYS 42 2HB LYS 42 -3.779 12.551 13.181 316 HB3 LYS 42 3HB LYS 42 -2.202 11.913 12.753 317 HG2 LYS 42 2HG LYS 42 -4.340 11.823 10.622 318 HG3 LYS 42 3HG LYS 42 -3.764 13.417 11.082 319 HD2 LYS 42 2HD LYS 42 -1.881 11.183 10.226 320 HD3 LYS 42 3HD LYS 42 -2.559 12.378 9.114 321 HE2 LYS 42 2HE LYS 42 -1.441 14.191 10.136 322 HE3 LYS 42 3HE LYS 42 -1.147 13.298 11.625 323 HZ1 LYS 42 3HZ LYS 42 0.191 12.684 9.052 324 HZ2 LYS 42 1HZ LYS 42 0.451 11.915 10.486 325 HZ3 LYS 42 2HZ LYS 42 0.871 13.483 10.300 326 H ASP 43 H ASP 43 -1.467 9.428 12.795 327 HA ASP 43 HA ASP 43 -1.409 8.350 10.114 328 HB2 ASP 43 2HB ASP 43 0.421 8.086 12.517 329 HB3 ASP 43 3HB ASP 43 0.683 7.158 11.043 330 H ILE 44 H ILE 44 -2.174 6.841 13.276 331 HA ILE 44 HA ILE 44 -2.369 4.207 12.113 332 HB ILE 44 HB ILE 44 -4.000 4.926 14.541 333 HG12 ILE 44 2HG1 ILE 44 -1.951 5.808 15.291 334 HG13 ILE 44 3HG1 ILE 44 -2.076 4.193 15.940 335 HG21 ILE 44 1HG2 ILE 44 -2.576 2.429 13.488 336 HG22 ILE 44 2HG2 ILE 44 -3.363 2.536 15.059 337 HG23 ILE 44 3HG2 ILE 44 -4.322 2.713 13.585 338 HD11 ILE 44 3HD1 ILE 44 0.137 4.340 15.314 339 HD12 ILE 44 1HD1 ILE 44 -0.606 3.424 14.013 340 HD13 ILE 44 2HD1 ILE 44 -0.214 5.139 13.764 341 H LYS 45 H LYS 45 -4.961 6.616 12.897 342 HA LYS 45 HA LYS 45 -7.040 5.025 11.706 343 HB2 LYS 45 2HB LYS 45 -8.456 6.961 11.682 344 HB3 LYS 45 3HB LYS 45 -7.622 6.775 13.209 345 HG2 LYS 45 2HG LYS 45 -7.506 9.040 12.961 346 HG3 LYS 45 3HG LYS 45 -5.964 8.545 12.306 347 HD2 LYS 45 2HD LYS 45 -6.773 10.249 10.872 348 HD3 LYS 45 3HD LYS 45 -7.015 8.758 9.970 349 HE2 LYS 45 2HE LYS 45 -9.401 8.725 10.857 350 HE3 LYS 45 3HE LYS 45 -9.110 10.356 11.477 351 HZ1 LYS 45 3HZ LYS 45 -8.944 9.454 8.641 352 HZ2 LYS 45 1HZ LYS 45 -8.591 10.985 9.132 353 HZ3 LYS 45 2HZ LYS 45 -10.113 10.406 9.272 354 H LYS 46 H LYS 46 -4.865 7.385 10.204 355 HA LYS 46 HA LYS 46 -6.001 7.274 7.586 356 HB2 LYS 46 2HB LYS 46 -4.457 9.024 8.268 357 HB3 LYS 46 3HB LYS 46 -3.118 7.864 8.383 358 HG2 LYS 46 2HG LYS 46 -3.140 7.473 5.999 359 HG3 LYS 46 3HG LYS 46 -4.724 8.219 5.831 360 HD2 LYS 46 2HD LYS 46 -3.693 10.031 5.137 361 HD3 LYS 46 3HD LYS 46 -3.262 10.366 6.802 362 HE2 LYS 46 2HE LYS 46 -1.537 8.714 4.884 363 HE3 LYS 46 3HE LYS 46 -1.430 10.469 4.996 364 HZ1 LYS 46 3HZ LYS 46 -0.885 8.607 7.246 365 HZ2 LYS 46 1HZ LYS 46 -0.820 10.242 7.334 366 HZ3 LYS 46 2HZ LYS 46 0.230 9.435 6.396 367 H ILE 47 H ILE 47 -3.266 5.317 8.930 368 HA ILE 47 HA ILE 47 -3.071 3.846 6.484 369 HB ILE 47 HB ILE 47 -1.304 4.075 8.339 370 HG12 ILE 47 2HG1 ILE 47 -1.732 1.424 6.911 371 HG13 ILE 47 3HG1 ILE 47 -1.144 2.908 6.158 372 HG21 ILE 47 1HG2 ILE 47 -1.083 2.167 9.877 373 HG22 ILE 47 2HG2 ILE 47 -2.560 3.052 10.208 374 HG23 ILE 47 3HG2 ILE 47 -2.623 1.503 9.344 375 HD11 ILE 47 3HD1 ILE 47 0.277 1.232 8.235 376 HD12 ILE 47 1HD1 ILE 47 0.777 1.665 6.584 377 HD13 ILE 47 2HD1 ILE 47 0.755 2.906 7.837 378 H MET 48 H MET 48 -4.990 3.164 9.423 379 HA MET 48 HA MET 48 -5.918 0.597 8.507 380 HB2 MET 48 2HB MET 48 -7.164 2.569 10.466 381 HB3 MET 48 3HB MET 48 -7.829 0.978 10.064 382 HG2 MET 48 2HG MET 48 -5.293 0.228 10.590 383 HG3 MET 48 3HG MET 48 -5.388 1.634 11.647 384 HE1 MET 48 3HE MET 48 -4.738 -0.336 13.475 385 HE2 MET 48 1HE MET 48 -5.766 -1.759 13.755 386 HE3 MET 48 2HE MET 48 -4.922 -1.570 12.203 387 H GLU 49 H GLU 49 -7.529 3.849 8.183 388 HA GLU 49 HA GLU 49 -9.696 2.744 6.680 389 HB2 GLU 49 2HB GLU 49 -10.416 4.905 6.206 390 HB3 GLU 49 3HB GLU 49 -9.735 4.964 7.828 391 HG2 GLU 49 2HG GLU 49 -7.639 5.934 6.807 392 HG3 GLU 49 3HG GLU 49 -8.459 5.996 5.251 393 H GLU 50 H GLU 50 -6.555 4.055 5.546 394 HA GLU 50 HA GLU 50 -7.100 3.717 2.750 395 HB2 GLU 50 2HB GLU 50 -5.266 5.097 3.709 396 HB3 GLU 50 3HB GLU 50 -4.399 3.615 4.154 397 HG2 GLU 50 2HG GLU 50 -4.293 2.960 1.773 398 HG3 GLU 50 3HG GLU 50 -5.261 4.361 1.317 399 H LYS 51 H LYS 51 -5.444 1.488 5.061 400 HA LYS 51 HA LYS 51 -4.942 -0.652 3.289 401 HB2 LYS 51 2HB LYS 51 -4.012 -0.545 5.546 402 HB3 LYS 51 3HB LYS 51 -5.618 -0.673 6.262 403 HG2 LYS 51 2HG LYS 51 -4.457 -2.783 6.450 404 HG3 LYS 51 3HG LYS 51 -5.847 -2.973 5.399 405 HD2 LYS 51 2HD LYS 51 -4.426 -2.956 3.412 406 HD3 LYS 51 3HD LYS 51 -3.001 -2.547 4.389 407 HE2 LYS 51 2HE LYS 51 -3.159 -4.668 5.590 408 HE3 LYS 51 3HE LYS 51 -4.656 -5.083 4.742 409 HZ1 LYS 51 3HZ LYS 51 -2.655 -6.141 3.759 410 HZ2 LYS 51 1HZ LYS 51 -2.047 -4.677 3.379 411 HZ3 LYS 51 2HZ LYS 51 -3.431 -5.204 2.679 412 H ILE 52 H ILE 52 -7.826 -0.207 5.350 413 HA ILE 52 HA ILE 52 -9.214 -2.507 4.336 414 HB ILE 52 HB ILE 52 -10.267 -0.016 5.723 415 HG12 ILE 52 2HG1 ILE 52 -9.845 -2.817 6.858 416 HG13 ILE 52 3HG1 ILE 52 -8.582 -1.607 6.944 417 HG21 ILE 52 1HG2 ILE 52 -12.270 -1.474 6.256 418 HG22 ILE 52 2HG2 ILE 52 -12.133 -1.107 4.542 419 HG23 ILE 52 3HG2 ILE 52 -11.628 -2.699 5.147 420 HD11 ILE 52 3HD1 ILE 52 -9.490 -0.626 8.731 421 HD12 ILE 52 1HD1 ILE 52 -11.087 -0.499 7.983 422 HD13 ILE 52 2HD1 ILE 52 -10.612 -1.994 8.815 423 H GLN 53 H GLN 53 -9.359 0.942 3.287 424 HA GLN 53 HA GLN 53 -11.366 0.610 1.299 425 HB2 GLN 53 2HB GLN 53 -10.654 2.751 2.227 426 HB3 GLN 53 3HB GLN 53 -9.059 2.592 1.474 427 HG2 GLN 53 2HG GLN 53 -10.061 2.767 -0.755 428 HG3 GLN 53 3HG GLN 53 -11.688 2.739 -0.060 429 HE21 GLN 53 1HE2 GLN 53 -8.790 4.765 -0.578 430 HE22 GLN 53 2HE2 GLN 53 -9.573 6.238 -0.014 431 H ILE 54 H ILE 54 -7.805 0.371 0.976 432 HA ILE 54 HA ILE 54 -7.922 -0.180 -1.892 433 HB ILE 54 HB ILE 54 -5.651 -0.224 0.129 434 HG12 ILE 54 2HG1 ILE 54 -6.664 2.030 -0.284 435 HG13 ILE 54 3HG1 ILE 54 -4.986 1.903 -0.721 436 HG21 ILE 54 1HG2 ILE 54 -4.129 -0.133 -1.865 437 HG22 ILE 54 2HG2 ILE 54 -4.954 -1.673 -1.667 438 HG23 ILE 54 3HG2 ILE 54 -5.512 -0.536 -2.899 439 HD11 ILE 54 3HD1 ILE 54 -7.282 1.796 -2.728 440 HD12 ILE 54 1HD1 ILE 54 -6.332 3.225 -2.325 441 HD13 ILE 54 2HD1 ILE 54 -5.548 1.863 -3.104 442 H SER 55 H SER 55 -7.054 -2.180 0.958 443 HA SER 55 HA SER 55 -6.619 -4.566 -0.689 444 HB2 SER 55 2HB SER 55 -5.220 -3.842 1.283 445 HB3 SER 55 3HB SER 55 -6.577 -4.272 2.336 446 HG SER 55 HG SER 55 -5.250 -6.057 0.537 447 H GLY 56 H GLY 56 -9.162 -3.399 1.478 448 HA2 GLY 56 2HA GLY 56 -11.416 -4.112 1.346 449 HA3 GLY 56 3HA GLY 56 -10.916 -5.692 0.759 450 H SER 57 H SER 57 -8.853 -5.405 3.209 451 HA SER 57 HA SER 57 -10.682 -6.078 5.469 452 HB2 SER 57 2HB SER 57 -8.317 -7.791 4.594 453 HB3 SER 57 3HB SER 57 -9.272 -8.014 6.066 454 HG SER 57 HG SER 57 -10.174 -8.254 3.376 455 H ASN 58 H ASN 58 -9.562 -6.123 7.561 456 HA ASN 58 HA ASN 58 -7.712 -3.902 7.915 457 HB2 ASN 58 2HB ASN 58 -9.645 -4.630 9.448 458 HB3 ASN 58 3HB ASN 58 -8.618 -5.964 9.978 459 HD21 ASN 58 1HD2 ASN 58 -6.855 -5.463 11.466 460 HD22 ASN 58 2HD2 ASN 58 -6.735 -3.811 12.090 461 H TYR 59 H TYR 59 -5.750 -4.179 9.341 462 HA TYR 59 HA TYR 59 -3.797 -6.089 8.464 463 HB2 TYR 59 2HB TYR 59 -4.000 -4.215 10.858 464 HB3 TYR 59 3HB TYR 59 -2.605 -5.251 10.581 465 HD1 TYR 59 2HD TYR 59 -1.517 -5.192 8.241 466 HD2 TYR 59 1HD TYR 59 -4.007 -2.031 9.793 467 HE1 TYR 59 2HE TYR 59 -0.574 -3.634 6.561 468 HE2 TYR 59 1HE TYR 59 -3.050 -0.463 8.097 469 HH TYR 59 HH TYR 59 -0.595 -1.547 5.719 470 H LYS 60 H LYS 60 -2.908 -7.818 9.484 471 HA LYS 60 HA LYS 60 -4.727 -9.651 10.849 472 HB2 LYS 60 2HB LYS 60 -1.808 -9.881 9.959 473 HB3 LYS 60 3HB LYS 60 -2.664 -11.148 10.821 474 HG2 LYS 60 2HG LYS 60 -2.762 -11.772 8.589 475 HG3 LYS 60 3HG LYS 60 -4.383 -11.205 8.986 476 HD2 LYS 60 2HD LYS 60 -3.967 -9.097 7.770 477 HD3 LYS 60 3HD LYS 60 -2.270 -9.573 7.497 478 HE2 LYS 60 2HE LYS 60 -3.072 -11.574 6.238 479 HE3 LYS 60 3HE LYS 60 -4.743 -11.054 6.492 480 HZ1 LYS 60 3HZ LYS 60 -2.685 -9.535 4.977 481 HZ2 LYS 60 1HZ LYS 60 -4.225 -9.030 5.226 482 HZ3 LYS 60 2HZ LYS 60 -3.931 -10.354 4.322 483 H SER 61 H SER 61 -1.537 -8.395 11.709 484 HA SER 61 HA SER 61 -2.125 -8.365 14.619 485 HB2 SER 61 2HB SER 61 0.177 -9.899 13.332 486 HB3 SER 61 3HB SER 61 0.015 -9.594 15.068 487 HG SER 61 HG SER 61 -1.897 -10.821 15.067 488 H LEU 62 H LEU 62 -0.266 -7.349 15.823 489 HA LEU 62 HA LEU 62 0.231 -4.768 14.831 490 HB2 LEU 62 2HB LEU 62 1.666 -6.336 17.020 491 HB3 LEU 62 3HB LEU 62 1.987 -4.653 16.662 492 HG LEU 62 HG LEU 62 0.623 -4.727 18.566 493 HD11 LEU 62 1HD1 LEU 62 -1.170 -3.887 16.257 494 HD12 LEU 62 2HD1 LEU 62 0.136 -2.905 16.962 495 HD13 LEU 62 3HD1 LEU 62 -1.274 -3.348 17.936 496 HD21 LEU 62 3HD2 LEU 62 -1.559 -5.689 18.756 497 HD22 LEU 62 1HD2 LEU 62 -0.441 -6.953 18.225 498 HD23 LEU 62 2HD2 LEU 62 -1.566 -6.200 17.061 499 H GLU 63 H GLU 63 2.369 -7.592 14.622 500 HA GLU 63 HA GLU 63 4.698 -6.372 13.655 501 HB2 GLU 63 2HB GLU 63 5.249 -8.528 12.633 502 HB3 GLU 63 3HB GLU 63 4.640 -8.691 14.281 503 HG2 GLU 63 2HG GLU 63 2.424 -9.390 13.410 504 HG3 GLU 63 3HG GLU 63 2.999 -9.184 11.758 505 H VAL 64 H VAL 64 1.746 -6.999 11.798 506 HA VAL 64 HA VAL 64 3.017 -6.166 9.249 507 HB VAL 64 HB VAL 64 0.039 -6.540 9.694 508 HG11 VAL 64 1HG1 VAL 64 1.832 -6.832 7.236 509 HG12 VAL 64 2HG1 VAL 64 0.066 -7.003 7.272 510 HG13 VAL 64 3HG1 VAL 64 0.811 -5.429 7.580 511 HG21 VAL 64 3HG2 VAL 64 2.096 -8.670 8.977 512 HG22 VAL 64 1HG2 VAL 64 1.013 -8.662 10.389 513 HG23 VAL 64 2HG2 VAL 64 0.340 -8.849 8.769 514 H LEU 65 H LEU 65 0.677 -4.921 11.621 515 HA LEU 65 HA LEU 65 -0.014 -2.503 10.377 516 HB2 LEU 65 2HB LEU 65 -0.658 -3.774 12.756 517 HB3 LEU 65 3HB LEU 65 0.291 -2.426 13.346 518 HG LEU 65 HG LEU 65 -2.327 -2.415 11.830 519 HD11 LEU 65 1HD1 LEU 65 -3.049 -2.286 13.949 520 HD12 LEU 65 2HD1 LEU 65 -2.469 -0.621 13.974 521 HD13 LEU 65 3HD1 LEU 65 -1.452 -1.910 14.607 522 HD21 LEU 65 3HD2 LEU 65 -1.080 -0.638 10.720 523 HD22 LEU 65 1HD2 LEU 65 -0.611 0.028 12.298 524 HD23 LEU 65 2HD2 LEU 65 -2.310 0.043 11.777 525 H VAL 66 H VAL 66 2.577 -3.014 12.813 526 HA VAL 66 HA VAL 66 3.550 -0.307 12.698 527 HB VAL 66 HB VAL 66 5.289 -0.914 14.154 528 HG11 VAL 66 1HG1 VAL 66 3.115 -0.704 15.181 529 HG12 VAL 66 2HG1 VAL 66 2.724 -2.400 14.859 530 HG13 VAL 66 3HG1 VAL 66 4.004 -2.011 15.989 531 HG21 VAL 66 3HG2 VAL 66 6.227 -2.920 13.264 532 HG22 VAL 66 1HG2 VAL 66 5.678 -3.274 14.901 533 HG23 VAL 66 2HG2 VAL 66 4.726 -3.824 13.509 534 H ALA 67 H ALA 67 4.572 -3.219 10.965 535 HA ALA 67 HA ALA 67 6.928 -2.107 9.750 536 HB1 ALA 67 1HB ALA 67 6.490 -4.514 9.792 537 HB2 ALA 67 2HB ALA 67 5.025 -4.296 8.803 538 HB3 ALA 67 3HB ALA 67 6.626 -3.948 8.117 539 H ASP 68 H ASP 68 3.519 -2.335 8.574 540 HA ASP 68 HA ASP 68 3.984 -0.759 6.213 541 HB2 ASP 68 2HB ASP 68 1.511 -1.617 7.724 542 HB3 ASP 68 3HB ASP 68 1.425 -0.422 6.437 543 H LEU 69 H LEU 69 2.979 0.224 9.525 544 HA LEU 69 HA LEU 69 2.587 2.993 9.019 545 HB2 LEU 69 2HB LEU 69 3.557 1.470 11.438 546 HB3 LEU 69 3HB LEU 69 3.481 3.219 11.451 547 HG LEU 69 HG LEU 69 1.029 1.582 10.758 548 HD11 LEU 69 1HD1 LEU 69 0.366 1.806 13.105 549 HD12 LEU 69 2HD1 LEU 69 1.923 2.572 13.503 550 HD13 LEU 69 3HD1 LEU 69 1.836 0.873 12.987 551 HD21 LEU 69 3HD2 LEU 69 1.430 4.403 11.861 552 HD22 LEU 69 1HD2 LEU 69 -0.129 3.627 11.536 553 HD23 LEU 69 2HD2 LEU 69 0.958 4.000 10.196 554 H VAL 70 H VAL 70 5.700 1.452 10.077 555 HA VAL 70 HA VAL 70 7.151 3.898 9.706 556 HB VAL 70 HB VAL 70 9.218 2.718 9.747 557 HG11 VAL 70 1HG1 VAL 70 7.342 1.541 11.815 558 HG12 VAL 70 2HG1 VAL 70 9.078 1.844 11.981 559 HG13 VAL 70 3HG1 VAL 70 7.957 3.210 11.851 560 HG21 VAL 70 3HG2 VAL 70 8.735 0.660 8.486 561 HG22 VAL 70 1HG2 VAL 70 9.387 0.297 10.086 562 HG23 VAL 70 2HG2 VAL 70 7.654 0.118 9.787 563 H ASN 71 H ASN 71 6.529 1.243 7.390 564 HA ASN 71 HA ASN 71 8.133 2.316 5.285 565 HB2 ASN 71 2HB ASN 71 7.245 -0.019 5.447 566 HB3 ASN 71 3HB ASN 71 5.629 0.591 5.090 567 HD21 ASN 71 1HD2 ASN 71 5.075 0.542 2.900 568 HD22 ASN 71 2HD2 ASN 71 6.280 0.497 1.619 569 H ALA 72 H ALA 72 4.704 2.952 6.104 570 HA ALA 72 HA ALA 72 4.167 4.586 3.792 571 HB1 ALA 72 1HB ALA 72 2.707 4.327 6.456 572 HB2 ALA 72 2HB ALA 72 2.065 5.085 4.983 573 HB3 ALA 72 3HB ALA 72 2.420 3.349 4.997 574 H GLN 73 H GLN 73 5.091 5.415 7.179 575 HA GLN 73 HA GLN 73 4.916 8.277 6.666 576 HB2 GLN 73 2HB GLN 73 5.658 8.624 8.862 577 HB3 GLN 73 3HB GLN 73 4.617 7.199 8.898 578 HG2 GLN 73 2HG GLN 73 6.749 5.798 8.807 579 HG3 GLN 73 3HG GLN 73 7.663 7.284 9.024 580 HE21 GLN 73 1HE2 GLN 73 8.497 6.073 10.984 581 HE22 GLN 73 2HE2 GLN 73 7.511 6.202 12.436 582 H LYS 74 H LYS 74 7.496 5.922 6.305 583 HA LYS 74 HA LYS 74 9.708 7.684 5.834 584 HB2 LYS 74 2HB LYS 74 9.027 4.843 5.051 585 HB3 LYS 74 3HB LYS 74 10.447 5.611 4.359 586 HG2 LYS 74 2HG LYS 74 11.442 6.002 6.504 587 HG3 LYS 74 3HG LYS 74 10.000 5.458 7.364 588 HD2 LYS 74 2HD LYS 74 10.308 3.176 6.388 589 HD3 LYS 74 3HD LYS 74 11.753 3.755 5.533 590 HE2 LYS 74 2HE LYS 74 12.771 4.361 7.743 591 HE3 LYS 74 3HE LYS 74 11.354 3.689 8.560 592 HZ1 LYS 74 3HZ LYS 74 11.906 1.521 7.562 593 HZ2 LYS 74 1HZ LYS 74 13.161 2.069 8.448 594 HZ3 LYS 74 2HZ LYS 74 13.218 2.154 6.822 595 H ASP 75 H ASP 75 10.832 7.716 3.652 596 HA ASP 75 HA ASP 75 11.056 8.721 1.695 597 HB2 ASP 75 2HB ASP 75 9.759 6.694 0.951 598 HB3 ASP 75 3HB ASP 75 8.313 7.698 0.904 599 H SER 76 H SER 76 9.565 10.094 3.960 600 HA SER 76 HA SER 76 8.030 12.262 2.768 601 HB2 SER 76 2HB SER 76 8.047 13.177 5.026 602 HB3 SER 76 3HB SER 76 7.666 11.455 5.072 603 HG SER 76 HG SER 76 10.006 12.802 5.887 604 H MET 77 H MET 77 8.679 14.548 3.153 605 HA MET 77 HA MET 77 11.474 15.180 2.413 606 HB2 MET 77 2HB MET 77 9.079 16.961 3.046 607 HB3 MET 77 3HB MET 77 10.680 17.536 2.575 608 HG2 MET 77 2HG MET 77 10.461 16.100 0.471 609 HG3 MET 77 3HG MET 77 8.772 15.866 0.915 610 HE1 MET 77 3HE MET 77 11.244 19.062 0.960 611 HE2 MET 77 1HE MET 77 11.492 18.170 -0.559 612 HE3 MET 77 2HE MET 77 10.746 19.781 -0.584 613 H GLN 78 H GLN 78 12.557 16.922 3.705 614 HA GLN 78 HA GLN 78 12.636 16.261 6.611 615 HB2 GLN 78 2HB GLN 78 14.517 17.752 4.737 616 HB3 GLN 78 3HB GLN 78 14.776 17.609 6.478 617 HG2 GLN 78 2HG GLN 78 15.087 15.246 6.370 618 HG3 GLN 78 3HG GLN 78 14.439 15.134 4.735 619 HE21 GLN 78 1HE2 GLN 78 15.789 15.677 2.917 620 HE22 GLN 78 2HE2 GLN 78 17.511 15.949 3.149 621 H ASP 79 H ASP 79 12.183 17.757 8.171 622 HA ASP 79 HA ASP 79 11.803 20.614 7.526 623 HB2 ASP 79 2HB ASP 79 9.555 19.601 7.268 624 HB3 ASP 79 3HB ASP 79 9.669 18.921 8.891 625 H GLU 80 H GLU 80 12.405 21.943 9.182 626 HA GLU 80 HA GLU 80 13.005 20.848 11.877 627 HB2 GLU 80 2HB GLU 80 15.021 20.569 10.429 628 HB3 GLU 80 3HB GLU 80 15.059 22.317 10.166 629 HG2 GLU 80 2HG GLU 80 15.330 22.671 12.610 630 HG3 GLU 80 3HG GLU 80 15.257 20.928 12.879 631 H SER 81 H SER 81 12.250 22.193 13.386 632 HA SER 81 HA SER 81 10.978 24.673 12.829 633 HB2 SER 81 2HB SER 81 10.847 24.827 15.337 634 HB3 SER 81 3HB SER 81 10.194 23.340 14.625 635 HG SER 81 HG SER 81 11.505 22.875 16.434 636 H SER 82 H SER 82 13.845 24.161 14.886 637 HA SER 82 HA SER 82 15.380 26.230 13.527 638 HB2 SER 82 2HB SER 82 13.963 27.529 15.207 639 HB3 SER 82 3HB SER 82 14.830 26.676 16.492 640 HG SER 82 HG SER 82 15.768 28.739 15.893 641 H GLN 83 H GLN 83 17.595 26.264 14.193 642 HA GLN 83 HA GLN 83 18.588 23.644 15.099 643 HB2 GLN 83 2HB GLN 83 20.768 24.425 14.374 644 HB3 GLN 83 3HB GLN 83 19.552 24.660 13.124 645 HG2 GLN 83 2HG GLN 83 19.413 27.104 13.805 646 HG3 GLN 83 3HG GLN 83 20.763 26.814 14.905 647 HE21 GLN 83 1HE2 GLN 83 19.800 27.046 11.467 648 HE22 GLN 83 2HE2 GLN 83 21.456 27.094 10.874 649 H THR 84 H THR 84 20.215 23.351 16.714 650 HA THR 84 HA THR 84 19.752 25.019 19.123 651 HB THR 84 HB THR 84 20.721 23.017 20.320 652 HG1 THR 84 1HG THR 84 21.724 22.008 18.579 653 HG21 THR 84 3HG2 THR 84 18.209 22.567 18.652 654 HG22 THR 84 1HG2 THR 84 18.297 23.447 20.194 655 HG23 THR 84 2HG2 THR 84 18.657 21.713 20.147 656 H SER 85 H SER 85 21.155 26.706 18.430 657 HA SER 85 HA SER 85 24.021 26.308 18.220 658 HB2 SER 85 2HB SER 85 22.421 28.870 18.577 659 HB3 SER 85 3HB SER 85 24.111 28.745 18.048 660 HG SER 85 HG SER 85 22.732 28.946 16.259 661 H LEU 86 H LEU 86 22.370 25.910 20.962 662 HA LEU 86 HA LEU 86 23.589 27.733 22.845 663 HB2 LEU 86 2HB LEU 86 22.234 25.040 23.339 664 HB3 LEU 86 3HB LEU 86 22.687 26.222 24.551 665 HG LEU 86 HG LEU 86 21.133 27.865 23.159 666 HD11 LEU 86 1HD1 LEU 86 20.536 26.329 21.315 667 HD12 LEU 86 2HD1 LEU 86 19.120 26.667 22.294 668 HD13 LEU 86 3HD1 LEU 86 19.965 25.119 22.487 669 HD21 LEU 86 3HD2 LEU 86 20.769 27.204 25.494 670 HD22 LEU 86 1HD2 LEU 86 20.047 25.667 24.966 671 HD23 LEU 86 2HD2 LEU 86 19.243 27.212 24.602 672 H GLN 87 H GLN 87 25.291 27.466 24.232 673 HA GLN 87 HA GLN 87 27.381 25.515 23.587 674 HB2 GLN 87 2HB GLN 87 27.689 27.973 24.262 675 HB3 GLN 87 3HB GLN 87 27.300 27.480 25.914 676 HG2 GLN 87 2HG GLN 87 29.274 25.973 25.926 677 HG3 GLN 87 3HG GLN 87 29.565 26.326 24.219 678 HE21 GLN 87 1HE2 GLN 87 31.369 27.678 24.035 679 HE22 GLN 87 2HE2 GLN 87 31.682 29.007 25.146 680 H LYS 88 H LYS 88 28.275 24.021 25.110 681 HA LYS 88 HA LYS 88 26.766 23.294 27.546 682 HB2 LYS 88 2HB LYS 88 26.628 20.927 26.978 683 HB3 LYS 88 3HB LYS 88 25.754 21.911 25.827 684 HG2 LYS 88 2HG LYS 88 26.749 20.332 24.484 685 HG3 LYS 88 3HG LYS 88 27.815 21.714 24.281 686 HD2 LYS 88 2HD LYS 88 29.452 20.639 25.866 687 HD3 LYS 88 3HD LYS 88 28.306 19.325 26.125 688 HE2 LYS 88 2HE LYS 88 29.973 18.565 24.591 689 HE3 LYS 88 3HE LYS 88 28.460 18.746 23.701 690 HZ1 LYS 88 3HZ LYS 88 29.303 20.850 22.816 691 HZ2 LYS 88 1HZ LYS 88 30.374 19.670 22.496 692 HZ3 LYS 88 2HZ LYS 88 30.680 20.732 23.693 693 H GLU 89 H GLU 89 27.930 21.713 28.881 694 HA GLU 89 HA GLU 89 30.753 21.225 28.362 695 HB2 GLU 89 2HB GLU 89 31.624 22.263 30.379 696 HB3 GLU 89 3HB GLU 89 30.921 23.454 29.290 697 HG2 GLU 89 2HG GLU 89 28.794 23.304 30.780 698 HG3 GLU 89 3HG GLU 89 29.830 22.475 31.946 699 H ILE 90 H ILE 90 31.449 19.404 29.296 700 HA ILE 90 HA ILE 90 29.611 17.913 31.133 701 HB ILE 90 HB ILE 90 31.847 16.820 29.390 702 HG12 ILE 90 2HG1 ILE 90 28.828 16.860 28.910 703 HG13 ILE 90 3HG1 ILE 90 30.036 17.754 27.988 704 HG21 ILE 90 1HG2 ILE 90 31.319 15.417 31.389 705 HG22 ILE 90 2HG2 ILE 90 29.608 15.395 30.909 706 HG23 ILE 90 3HG2 ILE 90 30.851 14.616 29.906 707 HD11 ILE 90 3HD1 ILE 90 31.052 15.569 27.264 708 HD12 ILE 90 1HD1 ILE 90 29.646 14.749 27.995 709 HD13 ILE 90 2HD1 ILE 90 29.411 15.891 26.668 710 H SER 91 H SER 91 32.942 19.074 30.806 711 HA SER 91 HA SER 91 33.877 17.877 33.290 712 HB2 SER 91 2HB SER 91 35.331 18.384 31.294 713 HB3 SER 91 3HB SER 91 35.199 20.101 31.705 714 HG SER 91 HG SER 91 36.429 17.974 33.116 715 H THR 92 H THR 92 32.095 18.663 34.601 716 HA THR 92 HA THR 92 31.919 21.396 35.519 717 HB THR 92 HB THR 92 30.188 19.697 35.912 718 HG1 THR 92 1HG THR 92 29.694 20.411 37.955 719 HG21 THR 92 3HG2 THR 92 30.316 18.106 37.735 720 HG22 THR 92 1HG2 THR 92 31.974 18.597 38.126 721 HG23 THR 92 2HG2 THR 92 31.623 17.760 36.597 722 H GLU 93 H GLU 93 34.098 18.770 36.374 723 HA GLU 93 HA GLU 93 35.232 19.738 38.769 724 HB2 GLU 93 2HB GLU 93 36.520 18.167 36.502 725 HB3 GLU 93 3HB GLU 93 37.243 18.380 38.090 726 HG2 GLU 93 2HG GLU 93 34.590 16.983 37.525 727 HG3 GLU 93 3HG GLU 93 36.130 16.183 37.789 728 H GLU 94 H GLU 94 36.270 20.525 35.403 729 HA GLU 94 HA GLU 94 38.501 22.147 36.185 730 HB2 GLU 94 2HB GLU 94 36.801 22.028 33.673 731 HB3 GLU 94 3HB GLU 94 38.147 23.149 33.830 732 HG2 GLU 94 2HG GLU 94 38.393 20.128 34.119 733 HG3 GLU 94 3HG GLU 94 38.746 21.036 32.652 734 H GLN 95 H GLN 95 35.103 22.920 36.290 735 HA GLN 95 HA GLN 95 35.536 25.832 36.488 736 HB2 GLN 95 2HB GLN 95 33.085 24.216 37.306 737 HB3 GLN 95 3HB GLN 95 33.212 25.965 37.129 738 HG2 GLN 95 2HG GLN 95 33.803 25.599 34.683 739 HG3 GLN 95 3HG GLN 95 33.407 23.893 34.902 740 HE21 GLN 95 1HE2 GLN 95 32.084 27.029 34.253 741 HE22 GLN 95 2HE2 GLN 95 30.415 26.476 34.253 742 H LEU 96 H LEU 96 34.942 23.113 38.724 743 HA LEU 96 HA LEU 96 35.108 24.613 41.174 744 HB2 LEU 96 2HB LEU 96 35.762 21.675 40.714 745 HB3 LEU 96 3HB LEU 96 35.401 22.439 42.256 746 HG LEU 96 HG LEU 96 33.450 22.092 39.939 747 HD11 LEU 96 1HD1 LEU 96 33.553 20.771 42.675 748 HD12 LEU 96 2HD1 LEU 96 34.008 20.007 41.137 749 HD13 LEU 96 3HD1 LEU 96 32.332 20.500 41.409 750 HD21 LEU 96 3HD2 LEU 96 32.875 24.131 41.170 751 HD22 LEU 96 1HD2 LEU 96 32.987 23.254 42.716 752 HD23 LEU 96 2HD2 LEU 96 31.718 22.850 41.536 753 H ARG 97 H ARG 97 37.620 23.076 39.213 754 HA ARG 97 HA ARG 97 39.870 23.373 40.919 755 HB2 ARG 97 2HB ARG 97 39.617 23.543 37.892 756 HB3 ARG 97 3HB ARG 97 41.173 23.612 38.697 757 HG2 ARG 97 2HG ARG 97 39.261 21.269 39.021 758 HG3 ARG 97 3HG ARG 97 40.529 21.363 37.797 759 HD2 ARG 97 2HD ARG 97 42.228 21.600 39.604 760 HD3 ARG 97 3HD ARG 97 40.935 21.412 40.811 761 HE ARG 97 HE ARG 97 40.852 19.235 38.943 762 HH11 ARG 97 1HH1 ARG 97 42.828 20.289 41.623 763 HH12 ARG 97 2HH1 ARG 97 43.331 18.666 42.014 764 HH21 ARG 97 1HH2 ARG 97 41.523 17.200 39.473 765 HH22 ARG 97 2HH2 ARG 97 42.606 16.962 40.812 766 H ARG 98 H ARG 98 38.210 25.955 39.223 767 HA ARG 98 HA ARG 98 40.354 27.932 39.644 768 HB2 ARG 98 2HB ARG 98 37.403 28.357 38.998 769 HB3 ARG 98 3HB ARG 98 38.650 29.602 39.041 770 HG2 ARG 98 2HG ARG 98 39.909 28.176 37.265 771 HG3 ARG 98 3HG ARG 98 38.394 27.279 37.097 772 HD2 ARG 98 2HD ARG 98 38.413 28.962 35.395 773 HD3 ARG 98 3HD ARG 98 37.228 29.463 36.614 774 HE ARG 98 HE ARG 98 39.901 30.562 37.074 775 HH11 ARG 98 1HH1 ARG 98 37.001 31.196 35.232 776 HH12 ARG 98 2HH1 ARG 98 37.342 32.902 35.113 777 HH21 ARG 98 1HH2 ARG 98 40.281 32.722 36.904 778 HH22 ARG 98 2HH2 ARG 98 39.166 33.735 36.037 779 H LEU 99 H LEU 99 37.672 26.786 41.566 780 HA LEU 99 HA LEU 99 37.935 28.946 43.585 781 HB2 LEU 99 2HB LEU 99 36.154 26.468 43.425 782 HB3 LEU 99 3HB LEU 99 36.243 27.543 44.808 783 HG LEU 99 HG LEU 99 35.563 29.465 43.276 784 HD11 LEU 99 1HD1 LEU 99 35.899 28.497 41.049 785 HD12 LEU 99 2HD1 LEU 99 34.184 28.797 41.290 786 HD13 LEU 99 3HD1 LEU 99 34.816 27.143 41.437 787 HD21 LEU 99 3HD2 LEU 99 33.179 28.853 43.433 788 HD22 LEU 99 1HD2 LEU 99 34.054 28.399 44.900 789 HD23 LEU 99 2HD2 LEU 99 33.624 27.152 43.707 790 H GLN 100 H GLN 100 38.679 25.491 43.237 791 HA GLN 100 HA GLN 100 39.608 25.011 45.882 792 HB2 GLN 100 2HB GLN 100 38.947 23.359 43.986 793 HB3 GLN 100 3HB GLN 100 40.583 23.587 43.375 794 HG2 GLN 100 2HG GLN 100 40.644 21.617 44.688 795 HG3 GLN 100 3HG GLN 100 41.412 22.837 45.697 796 HE21 GLN 100 1HE2 GLN 100 38.605 20.687 45.354 797 HE22 GLN 100 2HE2 GLN 100 37.929 21.078 46.930 798 H GLU 101 H GLU 101 41.483 25.479 46.907 799 HA GLU 101 HA GLU 101 43.801 26.593 45.363 800 HB2 GLU 101 2HB GLU 101 42.540 27.492 47.958 801 HB3 GLU 101 3HB GLU 101 44.201 27.907 47.554 802 HG2 GLU 101 2HG GLU 101 41.832 28.563 45.753 803 HG3 GLU 101 3HG GLU 101 42.446 29.638 47.003 804 H GLU 102 H GLU 102 45.210 25.003 45.246 805 HA GLU 102 HA GLU 102 45.838 23.104 47.319 806 HB2 GLU 102 2HB GLU 102 46.241 22.728 44.895 807 HB3 GLU 102 3HB GLU 102 47.439 24.022 44.892 808 HG2 GLU 102 2HG GLU 102 48.596 21.927 44.959 809 HG3 GLU 102 3HG GLU 102 48.828 22.706 46.516 810 H LYS 103 H LYS 103 46.949 23.412 49.117 811 HA LYS 103 HA LYS 103 49.276 25.198 49.280 812 HB2 LYS 103 2HB LYS 103 48.517 26.337 51.315 813 HB3 LYS 103 3HB LYS 103 47.487 26.719 49.939 814 HG2 LYS 103 2HG LYS 103 45.760 25.146 50.753 815 HG3 LYS 103 3HG LYS 103 46.801 24.686 52.113 816 HD2 LYS 103 2HD LYS 103 46.736 26.991 52.975 817 HD3 LYS 103 3HD LYS 103 45.727 27.492 51.601 818 HE2 LYS 103 2HE LYS 103 43.961 25.925 52.286 819 HE3 LYS 103 3HE LYS 103 44.968 25.318 53.601 820 HZ1 LYS 103 3HZ LYS 103 44.879 27.524 54.615 821 HZ2 LYS 103 1HZ LYS 103 43.365 26.964 54.390 822 HZ3 LYS 103 2HZ LYS 103 43.967 28.106 53.393 823 H LEU 104 H LEU 104 50.570 24.843 51.140 824 HA LEU 104 HA LEU 104 50.549 22.022 52.049 825 HB2 LEU 104 2HB LEU 104 52.538 23.396 50.901 826 HB3 LEU 104 3HB LEU 104 52.834 23.945 52.533 827 HG LEU 104 HG LEU 104 54.277 22.108 51.942 828 HD11 LEU 104 1HD1 LEU 104 52.212 21.048 53.903 829 HD12 LEU 104 2HD1 LEU 104 53.511 22.191 54.300 830 HD13 LEU 104 3HD1 LEU 104 53.898 20.549 53.758 831 HD21 LEU 104 3HD2 LEU 104 52.681 21.080 50.252 832 HD22 LEU 104 1HD2 LEU 104 51.859 20.284 51.621 833 HD23 LEU 104 2HD2 LEU 104 53.571 19.940 51.280 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 19.057 24.055 -21.815 2 H2 GLY 1 2H GLY 1 18.884 23.315 -23.266 3 H3 GLY 1 3H GLY 1 20.297 23.175 -22.437 4 HA2 GLY 1 2HA GLY 1 18.989 21.141 -22.256 5 HA3 GLY 1 3HA GLY 1 19.225 21.935 -20.685 6 H SER 2 H SER 2 17.336 20.996 -19.818 7 HA SER 2 HA SER 2 15.083 22.780 -20.113 8 HB2 SER 2 2HB SER 2 14.578 20.891 -21.764 9 HB3 SER 2 3HB SER 2 14.468 19.812 -20.361 10 HG SER 2 HG SER 2 12.427 20.700 -20.979 11 H ALA 3 H ALA 3 13.660 22.682 -18.306 12 HA ALA 3 HA ALA 3 14.796 21.577 -15.798 13 HB1 ALA 3 1HB ALA 3 13.055 22.950 -14.721 14 HB2 ALA 3 2HB ALA 3 14.017 23.920 -15.846 15 HB3 ALA 3 3HB ALA 3 12.387 23.379 -16.310 16 H MET 4 H MET 4 13.153 20.613 -14.257 17 HA MET 4 HA MET 4 10.925 19.095 -15.414 18 HB2 MET 4 2HB MET 4 11.678 16.935 -14.506 19 HB3 MET 4 3HB MET 4 12.740 17.534 -15.774 20 HG2 MET 4 2HG MET 4 14.425 18.183 -14.191 21 HG3 MET 4 3HG MET 4 13.341 17.938 -12.825 22 HE1 MET 4 3HE MET 4 15.028 15.990 -15.874 23 HE2 MET 4 1HE MET 4 14.892 14.310 -15.307 24 HE3 MET 4 2HE MET 4 13.434 15.208 -15.766 25 H ALA 5 H ALA 5 9.932 17.703 -13.511 26 HA ALA 5 HA ALA 5 8.889 19.442 -11.554 27 HB1 ALA 5 1HB ALA 5 7.921 17.385 -10.597 28 HB2 ALA 5 2HB ALA 5 7.746 17.435 -12.360 29 HB3 ALA 5 3HB ALA 5 8.986 16.398 -11.618 30 H ASP 6 H ASP 6 9.988 20.412 -9.981 31 HA ASP 6 HA ASP 6 11.798 18.848 -8.180 32 HB2 ASP 6 2HB ASP 6 12.438 21.459 -9.590 33 HB3 ASP 6 3HB ASP 6 13.218 20.973 -8.087 34 H ILE 7 H ILE 7 10.666 18.802 -6.379 35 HA ILE 7 HA ILE 7 9.417 21.295 -5.299 36 HB ILE 7 HB ILE 7 8.046 19.843 -3.908 37 HG12 ILE 7 2HG1 ILE 7 9.294 17.470 -5.372 38 HG13 ILE 7 3HG1 ILE 7 9.687 17.939 -3.717 39 HG21 ILE 7 1HG2 ILE 7 6.565 19.068 -5.654 40 HG22 ILE 7 2HG2 ILE 7 7.329 20.567 -6.186 41 HG23 ILE 7 3HG2 ILE 7 7.889 19.012 -6.836 42 HD11 ILE 7 3HD1 ILE 7 7.311 17.596 -3.057 43 HD12 ILE 7 1HD1 ILE 7 6.967 17.004 -4.703 44 HD13 ILE 7 2HD1 ILE 7 8.103 16.131 -3.668 45 H GLY 8 H GLY 8 12.253 19.684 -4.892 46 HA2 GLY 8 2HA GLY 8 13.948 20.084 -3.315 47 HA3 GLY 8 3HA GLY 8 12.783 20.817 -2.216 48 H SER 9 H SER 9 11.605 19.479 -0.797 49 HA SER 9 HA SER 9 12.396 16.607 -0.537 50 HB2 SER 9 2HB SER 9 12.693 18.699 1.653 51 HB3 SER 9 3HB SER 9 12.902 16.955 1.860 52 HG SER 9 HG SER 9 14.651 17.038 0.390 53 H GLU 10 H GLU 10 10.633 15.450 -0.335 54 HA GLU 10 HA GLU 10 8.155 16.541 0.880 55 HB2 GLU 10 2HB GLU 10 7.052 14.677 -0.137 56 HB3 GLU 10 3HB GLU 10 8.100 15.457 -1.313 57 HG2 GLU 10 2HG GLU 10 9.813 13.648 -0.924 58 HG3 GLU 10 3HG GLU 10 8.684 12.871 0.193 59 H PHE 11 H PHE 11 10.768 14.500 1.831 60 HA PHE 11 HA PHE 11 9.364 12.876 3.775 61 HB2 PHE 11 2HB PHE 11 12.321 13.506 3.701 62 HB3 PHE 11 3HB PHE 11 11.537 12.085 4.382 63 HD1 PHE 11 1HD PHE 11 9.706 11.267 2.121 64 HD2 PHE 11 2HD PHE 11 13.808 12.610 2.111 65 HE1 PHE 11 1HE PHE 11 10.104 10.046 0.004 66 HE2 PHE 11 2HE PHE 11 14.200 11.372 -0.003 67 HZ PHE 11 HZ PHE 11 12.348 10.092 -1.063 68 H GLU 12 H GLU 12 10.166 12.858 6.105 69 HA GLU 12 HA GLU 12 9.826 13.720 8.170 70 HB2 GLU 12 2HB GLU 12 11.668 15.891 7.103 71 HB3 GLU 12 3HB GLU 12 11.175 15.749 8.782 72 HG2 GLU 12 2HG GLU 12 13.256 14.744 8.728 73 HG3 GLU 12 3HG GLU 12 12.098 13.430 8.867 74 H LYS 13 H LYS 13 7.849 14.532 6.098 75 HA LYS 13 HA LYS 13 6.386 16.575 7.733 76 HB2 LYS 13 2HB LYS 13 6.541 16.387 4.693 77 HB3 LYS 13 3HB LYS 13 5.298 17.297 5.553 78 HG2 LYS 13 2HG LYS 13 7.065 18.654 6.673 79 HG3 LYS 13 3HG LYS 13 8.290 17.826 5.688 80 HD2 LYS 13 2HD LYS 13 7.207 18.667 3.617 81 HD3 LYS 13 3HD LYS 13 5.914 19.392 4.578 82 HE2 LYS 13 2HE LYS 13 7.377 21.163 3.989 83 HE3 LYS 13 3HE LYS 13 7.593 20.857 5.714 84 HZ1 LYS 13 3HZ LYS 13 9.403 19.884 3.559 85 HZ2 LYS 13 1HZ LYS 13 9.622 19.610 5.157 86 HZ3 LYS 13 2HZ LYS 13 9.721 21.128 4.568 87 H THR 14 H THR 14 4.067 16.537 7.348 88 HA THR 14 HA THR 14 2.861 13.859 6.837 89 HB THR 14 HB THR 14 1.277 14.508 8.784 90 HG1 THR 14 1HG THR 14 2.285 15.797 10.370 91 HG21 THR 14 3HG2 THR 14 4.161 13.807 9.458 92 HG22 THR 14 1HG2 THR 14 2.906 12.662 8.941 93 HG23 THR 14 2HG2 THR 14 2.728 13.525 10.475 94 HA PRO 15 HA PRO 15 -0.302 16.181 4.653 95 HB2 PRO 15 2HB PRO 15 -2.635 14.834 5.290 96 HB3 PRO 15 3HB PRO 15 -1.415 14.241 4.135 97 HG2 PRO 15 2HG PRO 15 -1.743 13.486 7.037 98 HG3 PRO 15 3HG PRO 15 -1.474 12.410 5.630 99 HD2 PRO 15 2HD PRO 15 0.561 13.150 7.260 100 HD3 PRO 15 3HD PRO 15 0.808 12.996 5.501 101 H SER 16 H SER 16 -2.301 17.447 4.998 102 HA SER 16 HA SER 16 -2.295 19.243 7.151 103 HB2 SER 16 2HB SER 16 -4.636 18.465 5.369 104 HB3 SER 16 3HB SER 16 -4.439 19.999 6.230 105 HG SER 16 HG SER 16 -2.639 20.463 4.924 106 H LEU 17 H LEU 17 -4.285 19.726 8.536 107 HA LEU 17 HA LEU 17 -4.774 17.646 10.421 108 HB2 LEU 17 2HB LEU 17 -6.035 20.350 9.936 109 HB3 LEU 17 3HB LEU 17 -6.723 19.247 11.119 110 HG LEU 17 HG LEU 17 -3.841 20.232 11.200 111 HD11 LEU 17 1HD1 LEU 17 -4.610 21.603 13.101 112 HD12 LEU 17 2HD1 LEU 17 -6.277 21.039 12.850 113 HD13 LEU 17 3HD1 LEU 17 -5.473 22.039 11.618 114 HD21 LEU 17 3HD2 LEU 17 -5.510 18.631 13.201 115 HD22 LEU 17 1HD2 LEU 17 -3.934 19.370 13.559 116 HD23 LEU 17 2HD2 LEU 17 -4.038 18.080 12.369 117 H THR 18 H THR 18 -5.626 15.841 9.918 118 HA THR 18 HA THR 18 -7.778 15.277 8.145 119 HB THR 18 HB THR 18 -6.987 13.575 10.529 120 HG1 THR 18 1HG THR 18 -5.580 13.880 8.088 121 HG21 THR 18 3HG2 THR 18 -7.135 11.738 8.810 122 HG22 THR 18 1HG2 THR 18 -7.761 12.920 7.647 123 HG23 THR 18 2HG2 THR 18 -8.686 12.521 9.115 124 H ARG 19 H ARG 19 -9.820 14.121 8.977 125 HA ARG 19 HA ARG 19 -11.460 15.922 10.544 126 HB2 ARG 19 2HB ARG 19 -11.900 13.110 9.429 127 HB3 ARG 19 3HB ARG 19 -13.117 13.985 10.335 128 HG2 ARG 19 2HG ARG 19 -13.710 14.293 8.137 129 HG3 ARG 19 3HG ARG 19 -13.052 15.838 8.637 130 HD2 ARG 19 2HD ARG 19 -11.349 13.810 7.137 131 HD3 ARG 19 3HD ARG 19 -12.517 14.784 6.270 132 HE ARG 19 HE ARG 19 -9.950 15.678 7.247 133 HH11 ARG 19 1HH1 ARG 19 -13.075 16.878 6.299 134 HH12 ARG 19 2HH1 ARG 19 -12.478 18.498 6.062 135 HH21 ARG 19 1HH2 ARG 19 -9.269 17.787 7.113 136 HH22 ARG 19 2HH2 ARG 19 -10.367 18.965 6.467 137 H ARG 20 H ARG 20 -12.826 15.066 12.313 138 HA ARG 20 HA ARG 20 -11.431 14.563 14.726 139 HB2 ARG 20 2HB ARG 20 -13.722 15.630 14.264 140 HB3 ARG 20 3HB ARG 20 -14.383 13.997 14.201 141 HG2 ARG 20 2HG ARG 20 -13.782 13.648 16.564 142 HG3 ARG 20 3HG ARG 20 -12.898 15.184 16.598 143 HD2 ARG 20 2HD ARG 20 -15.033 16.398 16.186 144 HD3 ARG 20 3HD ARG 20 -15.884 14.857 16.080 145 HE ARG 20 HE ARG 20 -15.896 14.670 18.381 146 HH11 ARG 20 1HH1 ARG 20 -13.631 17.237 17.647 147 HH12 ARG 20 2HH1 ARG 20 -13.477 17.699 19.320 148 HH21 ARG 20 1HH2 ARG 20 -15.669 15.310 20.480 149 HH22 ARG 20 2HH2 ARG 20 -14.612 16.632 20.876 150 H ILE 21 H ILE 21 -12.093 12.736 16.272 151 HA ILE 21 HA ILE 21 -10.716 10.472 15.720 152 HB ILE 21 HB ILE 21 -11.456 11.215 17.938 153 HG12 ILE 21 2HG1 ILE 21 -11.848 8.273 17.270 154 HG13 ILE 21 3HG1 ILE 21 -10.331 9.118 17.613 155 HG21 ILE 21 1HG2 ILE 21 -14.044 9.676 17.541 156 HG22 ILE 21 2HG2 ILE 21 -13.545 10.657 18.929 157 HG23 ILE 21 3HG2 ILE 21 -13.938 11.441 17.396 158 HD11 ILE 21 3HD1 ILE 21 -11.127 9.567 19.934 159 HD12 ILE 21 1HD1 ILE 21 -12.568 8.573 19.592 160 HD13 ILE 21 2HD1 ILE 21 -10.958 7.842 19.545 161 H ASP 22 H ASP 22 -10.815 8.947 14.279 162 HA ASP 22 HA ASP 22 -13.170 8.351 12.711 163 HB2 ASP 22 2HB ASP 22 -10.342 7.914 12.531 164 HB3 ASP 22 3HB ASP 22 -11.077 6.327 12.494 165 H ASP 23 H ASP 23 -14.646 6.694 12.931 166 HA ASP 23 HA ASP 23 -14.950 5.389 15.427 167 HB2 ASP 23 2HB ASP 23 -16.719 5.939 13.701 168 HB3 ASP 23 3HB ASP 23 -16.159 4.558 12.759 169 H THR 24 H THR 24 -13.091 4.410 12.664 170 HA THR 24 HA THR 24 -12.676 1.663 13.146 171 HB THR 24 HB THR 24 -10.654 3.656 12.076 172 HG1 THR 24 1HG THR 24 -12.657 2.161 10.724 173 HG21 THR 24 3HG2 THR 24 -9.584 1.504 12.352 174 HG22 THR 24 1HG2 THR 24 -9.986 1.695 10.637 175 HG23 THR 24 2HG2 THR 24 -10.988 0.652 11.668 176 H ILE 25 H ILE 25 -11.355 4.452 14.857 177 HA ILE 25 HA ILE 25 -9.168 3.156 16.223 178 HB ILE 25 HB ILE 25 -10.849 5.595 16.906 179 HG12 ILE 25 2HG1 ILE 25 -7.962 5.423 15.934 180 HG13 ILE 25 3HG1 ILE 25 -9.310 5.585 14.824 181 HG21 ILE 25 1HG2 ILE 25 -8.341 4.596 18.302 182 HG22 ILE 25 2HG2 ILE 25 -9.105 6.181 18.564 183 HG23 ILE 25 3HG2 ILE 25 -9.965 4.725 19.010 184 HD11 ILE 25 3HD1 ILE 25 -9.907 7.734 15.799 185 HD12 ILE 25 1HD1 ILE 25 -8.570 7.610 16.969 186 HD13 ILE 25 2HD1 ILE 25 -8.227 7.727 15.242 187 H PHE 26 H PHE 26 -12.600 3.641 17.111 188 HA PHE 26 HA PHE 26 -12.364 2.208 19.621 189 HB2 PHE 26 2HB PHE 26 -14.030 3.970 19.253 190 HB3 PHE 26 3HB PHE 26 -14.784 3.023 17.978 191 HD1 PHE 26 2HD PHE 26 -13.626 1.947 21.434 192 HD2 PHE 26 1HD PHE 26 -16.960 2.595 18.763 193 HE1 PHE 26 2HE PHE 26 -15.155 0.941 23.093 194 HE2 PHE 26 1HE PHE 26 -18.487 1.603 20.446 195 HZ PHE 26 HZ PHE 26 -17.589 0.768 22.611 196 H GLN 27 H GLN 27 -13.571 1.269 16.364 197 HA GLN 27 HA GLN 27 -14.508 -1.282 17.243 198 HB2 GLN 27 2HB GLN 27 -15.224 -1.640 15.116 199 HB3 GLN 27 3HB GLN 27 -15.100 0.114 15.126 200 HG2 GLN 27 2HG GLN 27 -12.751 -0.237 14.065 201 HG3 GLN 27 3HG GLN 27 -13.209 -1.918 13.861 202 HE21 GLN 27 1HE2 GLN 27 -12.712 -1.223 11.502 203 HE22 GLN 27 2HE2 GLN 27 -14.104 -0.601 10.624 204 H ASN 28 H ASN 28 -11.252 -0.351 16.476 205 HA ASN 28 HA ASN 28 -10.425 -3.217 16.349 206 HB2 ASN 28 2HB ASN 28 -10.558 -1.938 14.141 207 HB3 ASN 28 3HB ASN 28 -9.144 -1.039 14.684 208 HD21 ASN 28 1HD2 ASN 28 -7.136 -2.235 14.958 209 HD22 ASN 28 2HD2 ASN 28 -6.989 -3.867 14.288 210 HA PRO 29 HA PRO 29 -8.360 -1.380 19.918 211 HB2 PRO 29 2HB PRO 29 -7.607 -3.660 21.262 212 HB3 PRO 29 3HB PRO 29 -9.286 -3.046 21.199 213 HG2 PRO 29 2HG PRO 29 -8.013 -5.169 19.439 214 HG3 PRO 29 3HG PRO 29 -9.562 -5.266 20.338 215 HD2 PRO 29 2HD PRO 29 -9.500 -4.618 17.716 216 HD3 PRO 29 3HD PRO 29 -10.631 -3.778 18.822 217 H MET 30 H MET 30 -6.748 -3.397 17.602 218 HA MET 30 HA MET 30 -4.035 -3.294 18.484 219 HB2 MET 30 2HB MET 30 -5.112 -3.101 15.643 220 HB3 MET 30 3HB MET 30 -3.461 -3.498 16.093 221 HG2 MET 30 2HG MET 30 -4.077 -5.593 17.026 222 HG3 MET 30 3HG MET 30 -5.789 -5.196 17.029 223 HE1 MET 30 3HE MET 30 -2.696 -5.627 14.700 224 HE2 MET 30 1HE MET 30 -3.419 -6.100 13.146 225 HE3 MET 30 2HE MET 30 -3.555 -4.424 13.711 226 H VAL 31 H VAL 31 -6.096 -0.753 17.221 227 HA VAL 31 HA VAL 31 -4.128 1.100 16.330 228 HB VAL 31 HB VAL 31 -6.905 1.565 17.484 229 HG11 VAL 31 1HG1 VAL 31 -6.667 3.782 16.226 230 HG12 VAL 31 2HG1 VAL 31 -5.809 3.661 17.764 231 HG13 VAL 31 3HG1 VAL 31 -4.926 3.507 16.236 232 HG21 VAL 31 3HG2 VAL 31 -7.563 1.876 15.147 233 HG22 VAL 31 1HG2 VAL 31 -5.894 1.621 14.610 234 HG23 VAL 31 2HG2 VAL 31 -6.817 0.296 15.331 235 H GLN 32 H GLN 32 -5.679 0.845 19.566 236 HA GLN 32 HA GLN 32 -4.311 3.014 20.746 237 HB2 GLN 32 2HB GLN 32 -5.195 0.475 22.173 238 HB3 GLN 32 3HB GLN 32 -4.940 2.061 22.894 239 HG2 GLN 32 2HG GLN 32 -7.146 1.299 20.927 240 HG3 GLN 32 3HG GLN 32 -7.319 1.579 22.649 241 HE21 GLN 32 1HE2 GLN 32 -7.731 3.736 23.360 242 HE22 GLN 32 2HE2 GLN 32 -7.698 5.081 22.222 243 H GLU 33 H GLU 33 -3.315 -0.389 20.598 244 HA GLU 33 HA GLU 33 -0.874 -0.147 22.081 245 HB2 GLU 33 2HB GLU 33 -1.837 -2.295 21.762 246 HB3 GLU 33 3HB GLU 33 -1.907 -2.100 20.019 247 HG2 GLU 33 2HG GLU 33 -0.219 -3.695 20.617 248 HG3 GLU 33 3HG GLU 33 0.508 -2.308 19.815 249 H ALA 34 H ALA 34 -1.536 0.445 18.598 250 HA ALA 34 HA ALA 34 1.219 0.777 17.852 251 HB1 ALA 34 1HB ALA 34 -1.242 2.031 16.573 252 HB2 ALA 34 2HB ALA 34 0.365 1.833 15.851 253 HB3 ALA 34 3HB ALA 34 -0.614 0.407 16.230 254 H ILE 35 H ILE 35 -1.248 3.292 18.752 255 HA ILE 35 HA ILE 35 0.615 5.468 18.839 256 HB ILE 35 HB ILE 35 -1.946 5.078 20.423 257 HG12 ILE 35 2HG1 ILE 35 -2.240 7.247 18.664 258 HG13 ILE 35 3HG1 ILE 35 -1.264 6.147 17.714 259 HG21 ILE 35 1HG2 ILE 35 -0.577 6.643 21.701 260 HG22 ILE 35 2HG2 ILE 35 -0.204 7.570 20.228 261 HG23 ILE 35 3HG2 ILE 35 -1.853 7.519 20.883 262 HD11 ILE 35 3HD1 ILE 35 -2.934 4.395 17.998 263 HD12 ILE 35 1HD1 ILE 35 -3.882 5.398 19.104 264 HD13 ILE 35 2HD1 ILE 35 -3.729 5.837 17.389 265 H ARG 36 H ARG 36 -0.175 3.093 21.369 266 HA ARG 36 HA ARG 36 1.349 4.215 23.467 267 HB2 ARG 36 2HB ARG 36 -0.362 2.368 23.580 268 HB3 ARG 36 3HB ARG 36 0.877 1.242 23.014 269 HG2 ARG 36 2HG ARG 36 2.217 1.641 25.023 270 HG3 ARG 36 3HG ARG 36 1.170 2.988 25.493 271 HD2 ARG 36 2HD ARG 36 0.607 1.135 26.859 272 HD3 ARG 36 3HD ARG 36 -0.737 1.381 25.742 273 HE ARG 36 HE ARG 36 0.621 -0.544 24.389 274 HH11 ARG 36 1HH1 ARG 36 -0.183 -0.519 27.819 275 HH12 ARG 36 2HH1 ARG 36 -0.156 -2.257 27.884 276 HH21 ARG 36 1HH2 ARG 36 0.614 -2.581 24.528 277 HH22 ARG 36 2HH2 ARG 36 0.309 -3.470 26.017 278 H MET 37 H MET 37 2.615 2.489 20.682 279 HA MET 37 HA MET 37 5.300 2.192 21.874 280 HB2 MET 37 2HB MET 37 4.446 1.899 18.970 281 HB3 MET 37 3HB MET 37 6.019 1.499 19.666 282 HG2 MET 37 2HG MET 37 4.487 0.002 21.296 283 HG3 MET 37 3HG MET 37 3.430 0.040 19.886 284 HE1 MET 37 3HE MET 37 4.611 -0.338 17.395 285 HE2 MET 37 1HE MET 37 6.266 0.223 17.717 286 HE3 MET 37 2HE MET 37 5.996 -1.433 17.143 287 H GLY 38 H GLY 38 3.653 4.886 20.655 288 HA2 GLY 38 2HA GLY 38 4.786 7.019 20.903 289 HA3 GLY 38 3HA GLY 38 6.211 6.358 20.107 290 H PHE 39 H PHE 39 3.621 5.211 18.335 291 HA PHE 39 HA PHE 39 3.929 7.103 16.138 292 HB2 PHE 39 2HB PHE 39 1.939 4.878 16.692 293 HB3 PHE 39 3HB PHE 39 1.973 5.822 15.211 294 HD1 PHE 39 2HD PHE 39 4.018 5.772 13.712 295 HD2 PHE 39 1HD PHE 39 3.355 2.905 16.858 296 HE1 PHE 39 2HE PHE 39 5.567 4.172 12.607 297 HE2 PHE 39 1HE PHE 39 4.855 1.311 15.733 298 HZ PHE 39 HZ PHE 39 5.956 1.924 13.610 299 H SER 40 H SER 40 2.083 8.271 15.167 300 HA SER 40 HA SER 40 0.531 9.815 17.165 301 HB2 SER 40 2HB SER 40 0.937 10.181 14.167 302 HB3 SER 40 3HB SER 40 0.065 11.299 15.238 303 HG SER 40 HG SER 40 2.278 11.900 14.848 304 H PHE 41 H PHE 41 -1.692 9.847 17.285 305 HA PHE 41 HA PHE 41 -3.352 7.756 16.448 306 HB2 PHE 41 2HB PHE 41 -3.803 10.538 17.451 307 HB3 PHE 41 3HB PHE 41 -5.140 9.817 16.587 308 HD1 PHE 41 2HD PHE 41 -6.096 7.594 17.293 309 HD2 PHE 41 1HD PHE 41 -3.361 9.849 19.753 310 HE1 PHE 41 2HE PHE 41 -6.835 6.321 19.292 311 HE2 PHE 41 1HE PHE 41 -4.113 8.571 21.748 312 HZ PHE 41 HZ PHE 41 -5.847 6.803 21.517 313 H LYS 42 H LYS 42 -2.876 10.837 14.777 314 HA LYS 42 HA LYS 42 -4.659 10.476 12.625 315 HB2 LYS 42 2HB LYS 42 -3.531 12.587 13.219 316 HB3 LYS 42 3HB LYS 42 -1.999 11.976 12.591 317 HG2 LYS 42 2HG LYS 42 -4.376 11.838 10.751 318 HG3 LYS 42 3HG LYS 42 -3.834 13.447 11.165 319 HD2 LYS 42 2HD LYS 42 -1.886 11.363 10.102 320 HD3 LYS 42 3HD LYS 42 -2.893 12.310 9.021 321 HE2 LYS 42 2HE LYS 42 -0.941 13.504 11.044 322 HE3 LYS 42 3HE LYS 42 -0.592 13.218 9.341 323 HZ1 LYS 42 3HZ LYS 42 -2.563 14.713 8.852 324 HZ2 LYS 42 1HZ LYS 42 -1.296 15.482 9.513 325 HZ3 LYS 42 2HZ LYS 42 -2.600 15.110 10.428 326 H ASP 43 H ASP 43 -1.277 9.366 12.832 327 HA ASP 43 HA ASP 43 -1.210 8.340 10.120 328 HB2 ASP 43 2HB ASP 43 0.497 7.724 12.576 329 HB3 ASP 43 3HB ASP 43 0.778 7.023 10.973 330 H ILE 44 H ILE 44 -2.099 6.828 13.253 331 HA ILE 44 HA ILE 44 -2.308 4.213 12.075 332 HB ILE 44 HB ILE 44 -3.987 4.882 14.478 333 HG12 ILE 44 2HG1 ILE 44 -1.979 5.867 15.242 334 HG13 ILE 44 3HG1 ILE 44 -2.102 4.274 15.945 335 HG21 ILE 44 1HG2 ILE 44 -4.193 2.668 13.514 336 HG22 ILE 44 2HG2 ILE 44 -2.440 2.450 13.444 337 HG23 ILE 44 3HG2 ILE 44 -3.252 2.513 15.006 338 HD11 ILE 44 3HD1 ILE 44 -0.179 5.159 13.787 339 HD12 ILE 44 1HD1 ILE 44 0.136 4.473 15.396 340 HD13 ILE 44 2HD1 ILE 44 -0.527 3.452 14.134 341 H LYS 45 H LYS 45 -4.896 6.610 12.845 342 HA LYS 45 HA LYS 45 -7.004 5.048 11.667 343 HB2 LYS 45 2HB LYS 45 -8.362 7.068 11.636 344 HB3 LYS 45 3HB LYS 45 -7.554 6.796 13.167 345 HG2 LYS 45 2HG LYS 45 -7.165 9.018 13.050 346 HG3 LYS 45 3HG LYS 45 -5.766 8.484 12.163 347 HD2 LYS 45 2HD LYS 45 -6.549 10.221 10.829 348 HD3 LYS 45 3HD LYS 45 -7.204 8.812 10.016 349 HE2 LYS 45 2HE LYS 45 -8.950 10.402 10.064 350 HE3 LYS 45 3HE LYS 45 -9.381 9.177 11.243 351 HZ1 LYS 45 3HZ LYS 45 -8.570 10.693 13.003 352 HZ2 LYS 45 1HZ LYS 45 -9.728 11.434 12.117 353 HZ3 LYS 45 2HZ LYS 45 -8.168 11.819 11.896 354 H LYS 46 H LYS 46 -4.851 7.410 10.183 355 HA LYS 46 HA LYS 46 -5.907 7.356 7.527 356 HB2 LYS 46 2HB LYS 46 -4.414 9.080 8.336 357 HB3 LYS 46 3HB LYS 46 -3.129 7.907 8.616 358 HG2 LYS 46 2HG LYS 46 -2.702 9.281 6.709 359 HG3 LYS 46 3HG LYS 46 -2.786 7.589 6.263 360 HD2 LYS 46 2HD LYS 46 -5.347 9.118 5.900 361 HD3 LYS 46 3HD LYS 46 -3.978 9.692 4.948 362 HE2 LYS 46 2HE LYS 46 -3.631 7.124 4.404 363 HE3 LYS 46 3HE LYS 46 -5.331 6.988 4.846 364 HZ1 LYS 46 3HZ LYS 46 -4.791 7.407 2.431 365 HZ2 LYS 46 1HZ LYS 46 -4.331 8.909 2.812 366 HZ3 LYS 46 2HZ LYS 46 -5.892 8.470 3.060 367 H ILE 47 H ILE 47 -3.183 5.366 8.898 368 HA ILE 47 HA ILE 47 -2.985 3.920 6.421 369 HB ILE 47 HB ILE 47 -1.195 4.177 8.280 370 HG12 ILE 47 2HG1 ILE 47 -1.629 1.629 6.686 371 HG13 ILE 47 3HG1 ILE 47 -0.939 3.132 6.095 372 HG21 ILE 47 1HG2 ILE 47 -0.934 2.297 9.802 373 HG22 ILE 47 2HG2 ILE 47 -2.487 3.052 10.110 374 HG23 ILE 47 3HG2 ILE 47 -2.404 1.523 9.208 375 HD11 ILE 47 3HD1 ILE 47 0.843 1.593 6.496 376 HD12 ILE 47 1HD1 ILE 47 0.943 2.900 7.686 377 HD13 ILE 47 2HD1 ILE 47 0.320 1.295 8.162 378 H MET 48 H MET 48 -4.853 3.245 9.367 379 HA MET 48 HA MET 48 -5.828 0.656 8.620 380 HB2 MET 48 2HB MET 48 -6.987 2.865 10.360 381 HB3 MET 48 3HB MET 48 -7.816 1.338 10.071 382 HG2 MET 48 2HG MET 48 -5.057 0.827 10.821 383 HG3 MET 48 3HG MET 48 -5.838 1.858 12.018 384 HE1 MET 48 3HE MET 48 -5.687 -2.137 12.992 385 HE2 MET 48 1HE MET 48 -4.610 -1.194 11.956 386 HE3 MET 48 2HE MET 48 -5.081 -0.559 13.552 387 H GLU 49 H GLU 49 -7.459 3.879 8.146 388 HA GLU 49 HA GLU 49 -9.569 2.760 6.617 389 HB2 GLU 49 2HB GLU 49 -10.245 4.917 6.036 390 HB3 GLU 49 3HB GLU 49 -9.605 5.019 7.673 391 HG2 GLU 49 2HG GLU 49 -7.480 5.945 6.725 392 HG3 GLU 49 3HG GLU 49 -8.199 5.926 5.117 393 H GLU 50 H GLU 50 -6.401 4.012 5.473 394 HA GLU 50 HA GLU 50 -7.010 3.603 2.696 395 HB2 GLU 50 2HB GLU 50 -5.206 5.057 3.520 396 HB3 GLU 50 3HB GLU 50 -4.264 3.639 4.009 397 HG2 GLU 50 2HG GLU 50 -4.011 2.899 1.746 398 HG3 GLU 50 3HG GLU 50 -5.322 3.929 1.168 399 H LYS 51 H LYS 51 -5.339 1.414 5.044 400 HA LYS 51 HA LYS 51 -4.816 -0.695 3.217 401 HB2 LYS 51 2HB LYS 51 -3.887 -0.574 5.500 402 HB3 LYS 51 3HB LYS 51 -5.485 -0.846 6.192 403 HG2 LYS 51 2HG LYS 51 -4.152 -2.884 6.256 404 HG3 LYS 51 3HG LYS 51 -5.549 -3.112 5.217 405 HD2 LYS 51 2HD LYS 51 -4.212 -2.929 3.218 406 HD3 LYS 51 3HD LYS 51 -2.793 -2.378 4.117 407 HE2 LYS 51 2HE LYS 51 -4.081 -5.094 4.603 408 HE3 LYS 51 3HE LYS 51 -2.885 -4.844 3.327 409 HZ1 LYS 51 3HZ LYS 51 -1.294 -4.101 5.002 410 HZ2 LYS 51 1HZ LYS 51 -1.822 -5.598 5.369 411 HZ3 LYS 51 2HZ LYS 51 -2.380 -4.306 6.204 412 H ILE 52 H ILE 52 -7.711 -0.193 5.234 413 HA ILE 52 HA ILE 52 -9.150 -2.476 4.239 414 HB ILE 52 HB ILE 52 -10.267 0.087 5.424 415 HG12 ILE 52 2HG1 ILE 52 -9.823 -2.530 6.927 416 HG13 ILE 52 3HG1 ILE 52 -8.559 -1.322 6.859 417 HG21 ILE 52 1HG2 ILE 52 -12.226 -1.373 6.029 418 HG22 ILE 52 2HG2 ILE 52 -12.020 -1.235 4.288 419 HG23 ILE 52 3HG2 ILE 52 -11.483 -2.707 5.124 420 HD11 ILE 52 3HD1 ILE 52 -10.196 0.383 7.773 421 HD12 ILE 52 1HD1 ILE 52 -11.305 -0.974 8.091 422 HD13 ILE 52 2HD1 ILE 52 -9.719 -0.907 8.877 423 H GLN 53 H GLN 53 -9.188 0.969 3.160 424 HA GLN 53 HA GLN 53 -11.149 0.672 1.133 425 HB2 GLN 53 2HB GLN 53 -10.345 2.813 2.125 426 HB3 GLN 53 3HB GLN 53 -8.809 2.619 1.281 427 HG2 GLN 53 2HG GLN 53 -10.207 4.197 0.093 428 HG3 GLN 53 3HG GLN 53 -9.999 2.762 -0.897 429 HE21 GLN 53 1HE2 GLN 53 -11.958 2.751 -2.102 430 HE22 GLN 53 2HE2 GLN 53 -13.534 2.771 -1.317 431 H ILE 54 H ILE 54 -7.592 0.389 0.889 432 HA ILE 54 HA ILE 54 -7.626 -0.131 -1.986 433 HB ILE 54 HB ILE 54 -5.413 -0.243 0.092 434 HG12 ILE 54 2HG1 ILE 54 -6.296 2.036 -0.256 435 HG13 ILE 54 3HG1 ILE 54 -4.646 1.867 -0.809 436 HG21 ILE 54 1HG2 ILE 54 -4.708 -1.691 -1.694 437 HG22 ILE 54 2HG2 ILE 54 -5.216 -0.525 -2.932 438 HG23 ILE 54 3HG2 ILE 54 -3.841 -0.165 -1.863 439 HD11 ILE 54 3HD1 ILE 54 -7.122 1.953 -2.593 440 HD12 ILE 54 1HD1 ILE 54 -5.966 3.263 -2.319 441 HD13 ILE 54 2HD1 ILE 54 -5.441 1.802 -3.166 442 H SER 55 H SER 55 -6.797 -2.195 0.860 443 HA SER 55 HA SER 55 -6.437 -4.554 -0.832 444 HB2 SER 55 2HB SER 55 -5.107 -4.072 1.237 445 HB3 SER 55 3HB SER 55 -6.565 -4.391 2.202 446 HG SER 55 HG SER 55 -5.258 -6.263 2.011 447 H GLY 56 H GLY 56 -8.916 -3.471 1.488 448 HA2 GLY 56 2HA GLY 56 -11.253 -4.029 1.081 449 HA3 GLY 56 3HA GLY 56 -10.771 -5.656 0.614 450 H SER 57 H SER 57 -8.831 -5.261 3.182 451 HA SER 57 HA SER 57 -10.807 -5.671 5.353 452 HB2 SER 57 2HB SER 57 -9.822 -7.792 6.034 453 HB3 SER 57 3HB SER 57 -10.450 -7.899 4.385 454 HG SER 57 HG SER 57 -8.421 -8.843 4.437 455 H ASN 58 H ASN 58 -9.709 -5.964 7.499 456 HA ASN 58 HA ASN 58 -7.694 -3.853 7.847 457 HB2 ASN 58 2HB ASN 58 -9.912 -4.344 9.201 458 HB3 ASN 58 3HB ASN 58 -8.915 -5.494 10.088 459 HD21 ASN 58 1HD2 ASN 58 -10.234 -2.752 10.786 460 HD22 ASN 58 2HD2 ASN 58 -8.846 -1.851 11.410 461 H TYR 59 H TYR 59 -6.011 -4.285 9.573 462 HA TYR 59 HA TYR 59 -4.022 -6.120 8.689 463 HB2 TYR 59 2HB TYR 59 -4.349 -4.358 11.149 464 HB3 TYR 59 3HB TYR 59 -2.927 -5.352 10.891 465 HD1 TYR 59 2HD TYR 59 -1.370 -4.965 9.073 466 HD2 TYR 59 1HD TYR 59 -4.705 -2.314 9.746 467 HE1 TYR 59 2HE TYR 59 -0.315 -3.254 7.599 468 HE2 TYR 59 1HE TYR 59 -3.655 -0.622 8.248 469 HH TYR 59 HH TYR 59 -1.971 -0.224 6.751 470 H LYS 60 H LYS 60 -3.067 -7.864 9.657 471 HA LYS 60 HA LYS 60 -4.830 -9.754 11.089 472 HB2 LYS 60 2HB LYS 60 -1.954 -10.028 10.108 473 HB3 LYS 60 3HB LYS 60 -2.957 -11.336 10.713 474 HG2 LYS 60 2HG LYS 60 -3.456 -9.746 8.153 475 HG3 LYS 60 3HG LYS 60 -2.738 -11.337 8.280 476 HD2 LYS 60 2HD LYS 60 -4.895 -11.893 7.690 477 HD3 LYS 60 3HD LYS 60 -4.941 -12.077 9.434 478 HE2 LYS 60 2HE LYS 60 -6.957 -10.968 8.852 479 HE3 LYS 60 3HE LYS 60 -5.939 -9.715 9.549 480 HZ1 LYS 60 3HZ LYS 60 -6.839 -8.811 7.586 481 HZ2 LYS 60 1HZ LYS 60 -6.514 -10.141 6.676 482 HZ3 LYS 60 2HZ LYS 60 -5.312 -9.154 7.183 483 H SER 61 H SER 61 -1.653 -8.343 11.743 484 HA SER 61 HA SER 61 -2.059 -8.522 14.681 485 HB2 SER 61 2HB SER 61 0.356 -9.703 13.233 486 HB3 SER 61 3HB SER 61 0.154 -9.589 14.987 487 HG SER 61 HG SER 61 -1.639 -11.000 14.819 488 H LEU 62 H LEU 62 -0.305 -7.361 15.864 489 HA LEU 62 HA LEU 62 0.124 -4.747 14.858 490 HB2 LEU 62 2HB LEU 62 1.492 -6.301 17.096 491 HB3 LEU 62 3HB LEU 62 1.926 -4.655 16.699 492 HG LEU 62 HG LEU 62 0.518 -4.628 18.589 493 HD11 LEU 62 1HD1 LEU 62 0.266 -2.769 16.970 494 HD12 LEU 62 2HD1 LEU 62 -1.205 -3.066 17.906 495 HD13 LEU 62 3HD1 LEU 62 -1.111 -3.612 16.226 496 HD21 LEU 62 3HD2 LEU 62 -1.772 -5.369 18.672 497 HD22 LEU 62 1HD2 LEU 62 -0.737 -6.734 18.228 498 HD23 LEU 62 2HD2 LEU 62 -1.718 -5.913 16.985 499 H GLU 63 H GLU 63 2.241 -7.575 14.634 500 HA GLU 63 HA GLU 63 4.634 -6.448 13.737 501 HB2 GLU 63 2HB GLU 63 3.271 -8.962 12.677 502 HB3 GLU 63 3HB GLU 63 4.967 -8.557 12.449 503 HG2 GLU 63 2HG GLU 63 3.582 -9.139 15.100 504 HG3 GLU 63 3HG GLU 63 4.671 -10.210 14.229 505 H VAL 64 H VAL 64 1.828 -7.252 11.678 506 HA VAL 64 HA VAL 64 3.031 -6.220 9.234 507 HB VAL 64 HB VAL 64 0.066 -6.682 9.741 508 HG11 VAL 64 1HG1 VAL 64 0.638 -5.461 7.635 509 HG12 VAL 64 2HG1 VAL 64 1.752 -6.764 7.195 510 HG13 VAL 64 3HG1 VAL 64 0.007 -7.078 7.301 511 HG21 VAL 64 3HG2 VAL 64 1.195 -8.774 10.303 512 HG22 VAL 64 1HG2 VAL 64 0.426 -8.934 8.724 513 HG23 VAL 64 2HG2 VAL 64 2.182 -8.673 8.826 514 H LEU 65 H LEU 65 0.729 -4.952 11.630 515 HA LEU 65 HA LEU 65 0.047 -2.531 10.344 516 HB2 LEU 65 2HB LEU 65 -0.774 -3.786 12.615 517 HB3 LEU 65 3HB LEU 65 0.264 -2.577 13.332 518 HG LEU 65 HG LEU 65 -2.318 -2.253 11.791 519 HD11 LEU 65 1HD1 LEU 65 -2.852 -0.826 13.761 520 HD12 LEU 65 2HD1 LEU 65 -1.241 -1.139 14.413 521 HD13 LEU 65 3HD1 LEU 65 -2.395 -2.474 14.224 522 HD21 LEU 65 3HD2 LEU 65 -0.367 0.007 12.276 523 HD22 LEU 65 1HD2 LEU 65 -2.064 0.206 11.794 524 HD23 LEU 65 2HD2 LEU 65 -0.933 -0.573 10.695 525 H VAL 66 H VAL 66 2.563 -3.037 12.861 526 HA VAL 66 HA VAL 66 3.547 -0.336 12.729 527 HB VAL 66 HB VAL 66 5.254 -0.926 14.233 528 HG11 VAL 66 1HG1 VAL 66 2.648 -2.355 14.903 529 HG12 VAL 66 2HG1 VAL 66 3.914 -1.987 16.059 530 HG13 VAL 66 3HG1 VAL 66 3.075 -0.667 15.218 531 HG21 VAL 66 3HG2 VAL 66 5.624 -3.258 15.037 532 HG22 VAL 66 1HG2 VAL 66 4.673 -3.849 13.661 533 HG23 VAL 66 2HG2 VAL 66 6.180 -2.963 13.389 534 H ALA 67 H ALA 67 4.606 -3.284 11.066 535 HA ALA 67 HA ALA 67 6.958 -2.176 9.852 536 HB1 ALA 67 1HB ALA 67 6.668 -4.016 8.221 537 HB2 ALA 67 2HB ALA 67 6.507 -4.584 9.892 538 HB3 ALA 67 3HB ALA 67 5.057 -4.358 8.884 539 H ASP 68 H ASP 68 3.564 -2.416 8.624 540 HA ASP 68 HA ASP 68 4.090 -0.867 6.261 541 HB2 ASP 68 2HB ASP 68 1.511 -1.600 7.671 542 HB3 ASP 68 3HB ASP 68 1.566 -0.618 6.211 543 H LEU 69 H LEU 69 3.071 0.157 9.529 544 HA LEU 69 HA LEU 69 2.673 2.926 8.991 545 HB2 LEU 69 2HB LEU 69 3.612 1.411 11.425 546 HB3 LEU 69 3HB LEU 69 3.604 3.162 11.421 547 HG LEU 69 HG LEU 69 1.091 1.604 10.771 548 HD11 LEU 69 1HD1 LEU 69 0.449 1.899 13.107 549 HD12 LEU 69 2HD1 LEU 69 2.026 2.636 13.488 550 HD13 LEU 69 3HD1 LEU 69 1.897 0.929 13.015 551 HD21 LEU 69 3HD2 LEU 69 0.008 3.710 11.521 552 HD22 LEU 69 1HD2 LEU 69 1.095 4.018 10.162 553 HD23 LEU 69 2HD2 LEU 69 1.598 4.436 11.814 554 H VAL 70 H VAL 70 5.780 1.454 10.178 555 HA VAL 70 HA VAL 70 7.189 3.918 9.758 556 HB VAL 70 HB VAL 70 9.278 2.754 9.938 557 HG11 VAL 70 1HG1 VAL 70 7.316 1.596 11.932 558 HG12 VAL 70 2HG1 VAL 70 9.042 1.909 12.179 559 HG13 VAL 70 3HG1 VAL 70 7.925 3.269 11.973 560 HG21 VAL 70 3HG2 VAL 70 7.727 0.138 9.927 561 HG22 VAL 70 1HG2 VAL 70 8.892 0.675 8.696 562 HG23 VAL 70 2HG2 VAL 70 9.438 0.331 10.339 563 H ASN 71 H ASN 71 6.669 1.191 7.541 564 HA ASN 71 HA ASN 71 8.265 2.100 5.369 565 HB2 ASN 71 2HB ASN 71 7.318 -0.148 5.505 566 HB3 ASN 71 3HB ASN 71 5.681 0.498 5.439 567 HD21 ASN 71 1HD2 ASN 71 4.732 0.637 3.413 568 HD22 ASN 71 2HD2 ASN 71 5.662 0.544 1.922 569 H ALA 72 H ALA 72 4.775 2.775 6.037 570 HA ALA 72 HA ALA 72 4.354 4.504 3.815 571 HB1 ALA 72 1HB ALA 72 2.337 5.183 5.049 572 HB2 ALA 72 2HB ALA 72 2.540 3.425 5.076 573 HB3 ALA 72 3HB ALA 72 2.942 4.387 6.518 574 H GLN 73 H GLN 73 5.292 5.273 7.194 575 HA GLN 73 HA GLN 73 5.328 8.110 6.953 576 HB2 GLN 73 2HB GLN 73 6.826 6.191 8.765 577 HB3 GLN 73 3HB GLN 73 6.959 7.940 8.924 578 HG2 GLN 73 2HG GLN 73 4.545 8.159 9.320 579 HG3 GLN 73 3HG GLN 73 4.337 6.402 9.197 580 HE21 GLN 73 1HE2 GLN 73 3.893 8.321 11.620 581 HE22 GLN 73 2HE2 GLN 73 5.009 7.634 12.804 582 H LYS 74 H LYS 74 7.671 5.849 5.674 583 HA LYS 74 HA LYS 74 9.931 7.663 5.520 584 HB2 LYS 74 2HB LYS 74 9.281 5.283 3.737 585 HB3 LYS 74 3HB LYS 74 10.832 6.094 3.851 586 HG2 LYS 74 2HG LYS 74 10.050 5.315 6.520 587 HG3 LYS 74 3HG LYS 74 9.816 3.931 5.438 588 HD2 LYS 74 2HD LYS 74 12.199 4.181 4.691 589 HD3 LYS 74 3HD LYS 74 12.367 5.540 5.830 590 HE2 LYS 74 2HE LYS 74 11.423 3.811 7.593 591 HE3 LYS 74 3HE LYS 74 11.895 2.591 6.407 592 HZ1 LYS 74 3HZ LYS 74 14.176 3.543 6.517 593 HZ2 LYS 74 1HZ LYS 74 13.706 2.986 7.977 594 HZ3 LYS 74 2HZ LYS 74 13.698 4.585 7.682 595 H ASP 75 H ASP 75 7.007 7.627 3.764 596 HA ASP 75 HA ASP 75 8.042 9.528 1.700 597 HB2 ASP 75 2HB ASP 75 6.223 7.109 1.335 598 HB3 ASP 75 3HB ASP 75 6.335 8.413 0.160 599 H SER 76 H SER 76 6.141 10.702 0.630 600 HA SER 76 HA SER 76 4.337 11.845 2.636 601 HB2 SER 76 2HB SER 76 4.870 12.333 -0.283 602 HB3 SER 76 3HB SER 76 3.336 12.873 0.426 603 HG SER 76 HG SER 76 4.824 14.508 0.687 604 H MET 77 H MET 77 2.615 10.859 3.322 605 HA MET 77 HA MET 77 1.211 8.671 2.272 606 HB2 MET 77 2HB MET 77 1.072 9.491 4.583 607 HB3 MET 77 3HB MET 77 0.270 10.964 4.044 608 HG2 MET 77 2HG MET 77 -1.304 9.411 5.022 609 HG3 MET 77 3HG MET 77 -1.690 9.728 3.342 610 HE1 MET 77 3HE MET 77 -0.423 7.141 5.992 611 HE2 MET 77 1HE MET 77 -0.053 5.710 5.004 612 HE3 MET 77 2HE MET 77 0.991 7.145 4.911 613 H GLN 78 H GLN 78 0.737 12.087 1.550 614 HA GLN 78 HA GLN 78 -1.595 11.509 -0.207 615 HB2 GLN 78 2HB GLN 78 -2.104 13.925 0.008 616 HB3 GLN 78 3HB GLN 78 -2.171 13.008 1.495 617 HG2 GLN 78 2HG GLN 78 -1.214 15.186 1.906 618 HG3 GLN 78 3HG GLN 78 -0.031 13.936 2.252 619 HE21 GLN 78 1HE2 GLN 78 -0.804 16.689 0.128 620 HE22 GLN 78 2HE2 GLN 78 0.786 16.696 -0.627 621 H ASP 79 H ASP 79 1.321 11.148 -0.955 622 HA ASP 79 HA ASP 79 2.067 13.072 -2.926 623 HB2 ASP 79 2HB ASP 79 3.666 11.536 -1.958 624 HB3 ASP 79 3HB ASP 79 2.798 10.145 -2.605 625 H GLU 80 H GLU 80 0.290 13.583 -4.176 626 HA GLU 80 HA GLU 80 -0.151 11.861 -6.534 627 HB2 GLU 80 2HB GLU 80 -1.937 11.419 -4.758 628 HB3 GLU 80 3HB GLU 80 -2.491 13.077 -4.996 629 HG2 GLU 80 2HG GLU 80 -3.039 12.612 -7.325 630 HG3 GLU 80 3HG GLU 80 -2.251 11.033 -7.248 631 H SER 81 H SER 81 -0.880 13.053 -8.401 632 HA SER 81 HA SER 81 0.371 15.574 -8.722 633 HB2 SER 81 2HB SER 81 -0.770 15.513 -10.975 634 HB3 SER 81 3HB SER 81 0.228 14.107 -10.568 635 HG SER 81 HG SER 81 -1.800 13.489 -11.461 636 H SER 82 H SER 82 -3.129 14.830 -8.757 637 HA SER 82 HA SER 82 -3.791 17.700 -8.351 638 HB2 SER 82 2HB SER 82 -6.108 16.972 -8.972 639 HB3 SER 82 3HB SER 82 -4.877 16.870 -10.235 640 HG SER 82 HG SER 82 -6.201 15.005 -10.182 641 H GLN 83 H GLN 83 -4.013 18.356 -6.373 642 HA GLN 83 HA GLN 83 -5.528 16.777 -4.341 643 HB2 GLN 83 2HB GLN 83 -2.766 18.010 -4.121 644 HB3 GLN 83 3HB GLN 83 -3.797 17.895 -2.704 645 HG2 GLN 83 2HG GLN 83 -3.011 15.499 -4.414 646 HG3 GLN 83 3HG GLN 83 -2.177 16.006 -2.947 647 HE21 GLN 83 1HE2 GLN 83 -3.893 16.404 -0.966 648 HE22 GLN 83 2HE2 GLN 83 -5.001 15.046 -0.807 649 H THR 84 H THR 84 -7.245 17.894 -3.750 650 HA THR 84 HA THR 84 -7.574 20.755 -4.135 651 HB THR 84 HB THR 84 -9.842 20.243 -3.060 652 HG1 THR 84 1HG THR 84 -10.361 18.057 -2.938 653 HG21 THR 84 3HG2 THR 84 -9.050 18.625 -5.518 654 HG22 THR 84 1HG2 THR 84 -9.504 20.343 -5.501 655 HG23 THR 84 2HG2 THR 84 -10.695 19.115 -5.050 656 H SER 85 H SER 85 -5.423 20.468 -2.479 657 HA SER 85 HA SER 85 -6.077 20.746 0.335 658 HB2 SER 85 2HB SER 85 -3.551 21.555 -1.157 659 HB3 SER 85 3HB SER 85 -3.724 21.346 0.597 660 HG SER 85 HG SER 85 -2.825 19.492 -0.383 661 H LEU 86 H LEU 86 -5.708 23.038 -2.296 662 HA LEU 86 HA LEU 86 -5.711 25.300 -2.508 663 HB2 LEU 86 2HB LEU 86 -7.881 24.905 -0.426 664 HB3 LEU 86 3HB LEU 86 -7.510 26.478 -1.102 665 HG LEU 86 HG LEU 86 -7.970 25.646 -3.393 666 HD11 LEU 86 1HD1 LEU 86 -9.429 23.622 -3.616 667 HD12 LEU 86 2HD1 LEU 86 -9.031 23.188 -1.942 668 HD13 LEU 86 3HD1 LEU 86 -7.768 23.230 -3.200 669 HD21 LEU 86 3HD2 LEU 86 -9.631 26.897 -2.075 670 HD22 LEU 86 1HD2 LEU 86 -10.231 25.379 -1.368 671 HD23 LEU 86 2HD2 LEU 86 -10.416 25.698 -3.109 672 H GLN 87 H GLN 87 -3.658 24.301 -0.741 673 HA GLN 87 HA GLN 87 -3.220 26.435 1.282 674 HB2 GLN 87 2HB GLN 87 -2.017 23.715 0.702 675 HB3 GLN 87 3HB GLN 87 -1.106 24.870 1.659 676 HG2 GLN 87 2HG GLN 87 -3.950 24.020 2.338 677 HG3 GLN 87 3HG GLN 87 -2.508 23.267 3.008 678 HE21 GLN 87 1HE2 GLN 87 -4.849 25.458 3.870 679 HE22 GLN 87 2HE2 GLN 87 -3.854 26.464 4.920 680 H LYS 88 H LYS 88 -1.259 27.503 1.482 681 HA LYS 88 HA LYS 88 0.137 28.362 -0.989 682 HB2 LYS 88 2HB LYS 88 0.093 29.258 1.919 683 HB3 LYS 88 3HB LYS 88 1.333 29.844 0.829 684 HG2 LYS 88 2HG LYS 88 -1.618 30.102 0.159 685 HG3 LYS 88 3HG LYS 88 -0.766 31.301 1.125 686 HD2 LYS 88 2HD LYS 88 0.121 30.498 -1.682 687 HD3 LYS 88 3HD LYS 88 -0.968 31.844 -1.334 688 HE2 LYS 88 2HE LYS 88 0.732 32.948 0.041 689 HE3 LYS 88 3HE LYS 88 1.843 31.595 -0.169 690 HZ1 LYS 88 3HZ LYS 88 1.909 32.085 -2.550 691 HZ2 LYS 88 1HZ LYS 88 2.342 33.409 -1.702 692 HZ3 LYS 88 2HZ LYS 88 0.859 33.324 -2.375 693 H GLU 89 H GLU 89 2.591 28.753 -0.502 694 HA GLU 89 HA GLU 89 4.616 27.785 -0.811 695 HB2 GLU 89 2HB GLU 89 3.920 26.248 1.721 696 HB3 GLU 89 3HB GLU 89 5.504 26.326 0.973 697 HG2 GLU 89 2HG GLU 89 5.649 27.869 2.674 698 HG3 GLU 89 3HG GLU 89 5.490 28.818 1.207 699 H ILE 90 H ILE 90 2.260 26.426 -2.102 700 HA ILE 90 HA ILE 90 3.322 23.703 -2.572 701 HB ILE 90 HB ILE 90 0.896 24.213 -2.151 702 HG12 ILE 90 2HG1 ILE 90 1.452 22.717 -4.740 703 HG13 ILE 90 3HG1 ILE 90 1.796 22.095 -3.123 704 HG21 ILE 90 1HG2 ILE 90 0.845 25.167 -5.050 705 HG22 ILE 90 2HG2 ILE 90 -0.521 25.042 -3.927 706 HG23 ILE 90 3HG2 ILE 90 0.733 26.240 -3.636 707 HD11 ILE 90 3HD1 ILE 90 -0.630 22.314 -2.543 708 HD12 ILE 90 1HD1 ILE 90 -0.953 22.790 -4.229 709 HD13 ILE 90 2HD1 ILE 90 -0.305 21.182 -3.870 710 H SER 91 H SER 91 3.555 26.796 -4.033 711 HA SER 91 HA SER 91 4.075 25.950 -6.767 712 HB2 SER 91 2HB SER 91 4.469 28.397 -7.099 713 HB3 SER 91 3HB SER 91 2.916 28.007 -6.359 714 HG SER 91 HG SER 91 5.216 29.135 -5.155 715 H THR 92 H THR 92 5.935 24.868 -4.683 716 HA THR 92 HA THR 92 8.415 26.229 -4.600 717 HB THR 92 HB THR 92 9.377 23.966 -3.985 718 HG1 THR 92 1HG THR 92 7.770 22.371 -3.582 719 HG21 THR 92 3HG2 THR 92 6.857 24.805 -2.511 720 HG22 THR 92 1HG2 THR 92 8.462 25.530 -2.296 721 HG23 THR 92 2HG2 THR 92 8.193 23.836 -1.854 722 H GLU 93 H GLU 93 7.131 24.334 -7.174 723 HA GLU 93 HA GLU 93 9.316 23.638 -8.771 724 HB2 GLU 93 2HB GLU 93 6.854 23.317 -9.254 725 HB3 GLU 93 3HB GLU 93 6.744 25.030 -9.609 726 HG2 GLU 93 2HG GLU 93 6.832 24.039 -11.689 727 HG3 GLU 93 3HG GLU 93 8.463 24.648 -11.479 728 H GLU 94 H GLU 94 7.986 26.911 -8.243 729 HA GLU 94 HA GLU 94 9.671 28.243 -10.183 730 HB2 GLU 94 2HB GLU 94 7.447 29.068 -9.288 731 HB3 GLU 94 3HB GLU 94 8.252 29.432 -7.765 732 HG2 GLU 94 2HG GLU 94 8.109 31.463 -9.010 733 HG3 GLU 94 3HG GLU 94 9.799 30.990 -9.011 734 H GLN 95 H GLN 95 9.891 28.053 -6.569 735 HA GLN 95 HA GLN 95 12.349 29.556 -6.529 736 HB2 GLN 95 2HB GLN 95 12.433 29.247 -4.217 737 HB3 GLN 95 3HB GLN 95 10.732 29.414 -4.637 738 HG2 GLN 95 2HG GLN 95 10.514 26.903 -4.473 739 HG3 GLN 95 3HG GLN 95 12.203 26.827 -3.979 740 HE21 GLN 95 1HE2 GLN 95 11.626 25.835 -1.930 741 HE22 GLN 95 2HE2 GLN 95 10.871 26.823 -0.687 742 H LEU 96 H LEU 96 11.764 26.062 -6.769 743 HA LEU 96 HA LEU 96 14.541 25.303 -6.386 744 HB2 LEU 96 2HB LEU 96 12.017 23.972 -7.328 745 HB3 LEU 96 3HB LEU 96 13.525 23.245 -7.811 746 HG LEU 96 HG LEU 96 12.542 22.245 -5.771 747 HD11 LEU 96 1HD1 LEU 96 14.628 22.069 -4.525 748 HD12 LEU 96 2HD1 LEU 96 15.279 23.501 -5.342 749 HD13 LEU 96 3HD1 LEU 96 14.937 22.023 -6.267 750 HD21 LEU 96 3HD2 LEU 96 13.385 24.780 -4.326 751 HD22 LEU 96 1HD2 LEU 96 12.700 23.305 -3.613 752 HD23 LEU 96 2HD2 LEU 96 11.703 24.313 -4.671 753 H ARG 97 H ARG 97 12.730 26.340 -9.237 754 HA ARG 97 HA ARG 97 14.642 25.611 -11.245 755 HB2 ARG 97 2HB ARG 97 12.276 26.374 -11.608 756 HB3 ARG 97 3HB ARG 97 12.782 28.024 -11.220 757 HG2 ARG 97 2HG ARG 97 14.324 28.003 -13.168 758 HG3 ARG 97 3HG ARG 97 13.831 26.334 -13.533 759 HD2 ARG 97 2HD ARG 97 11.495 27.100 -13.846 760 HD3 ARG 97 3HD ARG 97 11.982 28.755 -13.428 761 HE ARG 97 HE ARG 97 13.527 27.681 -15.645 762 HH11 ARG 97 1HH1 ARG 97 10.467 29.217 -14.949 763 HH12 ARG 97 2HH1 ARG 97 10.294 29.829 -16.573 764 HH21 ARG 97 1HH2 ARG 97 13.270 28.495 -17.687 765 HH22 ARG 97 2HH2 ARG 97 11.854 29.426 -18.079 766 H ARG 98 H ARG 98 14.650 28.281 -8.985 767 HA ARG 98 HA ARG 98 16.829 29.804 -10.128 768 HB2 ARG 98 2HB ARG 98 15.210 30.619 -8.386 769 HB3 ARG 98 3HB ARG 98 16.013 29.578 -7.201 770 HG2 ARG 98 2HG ARG 98 18.134 30.810 -7.543 771 HG3 ARG 98 3HG ARG 98 17.343 31.847 -8.745 772 HD2 ARG 98 2HD ARG 98 15.816 32.722 -7.057 773 HD3 ARG 98 3HD ARG 98 16.416 31.588 -5.846 774 HE ARG 98 HE ARG 98 17.684 34.077 -6.748 775 HH11 ARG 98 1HH1 ARG 98 18.315 31.089 -5.037 776 HH12 ARG 98 2HH1 ARG 98 19.752 31.719 -4.280 777 HH21 ARG 98 1HH2 ARG 98 19.513 34.822 -5.751 778 HH22 ARG 98 2HH2 ARG 98 20.401 33.784 -4.677 779 H LEU 99 H LEU 99 16.797 27.004 -7.959 780 HA LEU 99 HA LEU 99 19.692 27.002 -7.494 781 HB2 LEU 99 2HB LEU 99 17.515 24.935 -6.938 782 HB3 LEU 99 3HB LEU 99 19.228 24.624 -6.723 783 HG LEU 99 HG LEU 99 19.321 26.631 -5.152 784 HD11 LEU 99 1HD1 LEU 99 17.157 27.711 -5.660 785 HD12 LEU 99 2HD1 LEU 99 17.201 27.180 -3.981 786 HD13 LEU 99 3HD1 LEU 99 16.295 26.234 -5.175 787 HD21 LEU 99 3HD2 LEU 99 17.624 24.213 -4.403 788 HD22 LEU 99 1HD2 LEU 99 18.471 25.284 -3.263 789 HD23 LEU 99 2HD2 LEU 99 19.399 24.296 -4.397 790 H GLN 100 H GLN 100 17.545 24.763 -9.297 791 HA GLN 100 HA GLN 100 19.870 23.988 -11.011 792 HB2 GLN 100 2HB GLN 100 18.833 22.205 -9.586 793 HB3 GLN 100 3HB GLN 100 17.324 22.435 -10.460 794 HG2 GLN 100 2HG GLN 100 18.312 20.565 -11.456 795 HG3 GLN 100 3HG GLN 100 18.635 21.842 -12.613 796 HE21 GLN 100 1HE2 GLN 100 20.072 19.149 -11.823 797 HE22 GLN 100 2HE2 GLN 100 21.734 19.701 -11.655 798 H GLU 101 H GLU 101 19.635 25.876 -12.249 799 HA GLU 101 HA GLU 101 17.265 26.571 -13.703 800 HB2 GLU 101 2HB GLU 101 19.191 28.080 -13.138 801 HB3 GLU 101 3HB GLU 101 20.156 27.261 -14.372 802 HG2 GLU 101 2HG GLU 101 18.490 27.956 -16.100 803 HG3 GLU 101 3HG GLU 101 17.522 28.732 -14.846 804 H GLU 102 H GLU 102 20.223 24.886 -14.797 805 HA GLU 102 HA GLU 102 18.764 23.405 -16.907 806 HB2 GLU 102 2HB GLU 102 21.204 25.183 -17.350 807 HB3 GLU 102 3HB GLU 102 20.684 23.971 -18.505 808 HG2 GLU 102 2HG GLU 102 18.873 26.276 -17.689 809 HG3 GLU 102 3HG GLU 102 20.065 26.391 -18.964 810 H LYS 103 H LYS 103 20.046 21.631 -17.777 811 HA LYS 103 HA LYS 103 22.637 20.957 -16.682 812 HB2 LYS 103 2HB LYS 103 22.128 18.826 -15.714 813 HB3 LYS 103 3HB LYS 103 21.245 20.063 -14.857 814 HG2 LYS 103 2HG LYS 103 19.986 18.260 -16.982 815 HG3 LYS 103 3HG LYS 103 20.077 17.872 -15.270 816 HD2 LYS 103 2HD LYS 103 18.791 20.020 -14.782 817 HD3 LYS 103 3HD LYS 103 18.558 20.187 -16.524 818 HE2 LYS 103 2HE LYS 103 16.585 19.183 -15.677 819 HE3 LYS 103 3HE LYS 103 17.460 17.954 -16.599 820 HZ1 LYS 103 3HZ LYS 103 18.275 17.051 -14.480 821 HZ2 LYS 103 1HZ LYS 103 16.651 17.078 -14.471 822 HZ3 LYS 103 2HZ LYS 103 17.476 18.206 -13.634 823 H LEU 104 H LEU 104 23.489 18.944 -17.585 824 HA LEU 104 HA LEU 104 22.910 18.579 -20.459 825 HB2 LEU 104 2HB LEU 104 25.065 17.566 -18.550 826 HB3 LEU 104 3HB LEU 104 24.851 16.859 -20.130 827 HG LEU 104 HG LEU 104 26.680 18.418 -20.122 828 HD11 LEU 104 1HD1 LEU 104 25.370 18.090 -22.198 829 HD12 LEU 104 2HD1 LEU 104 26.132 19.687 -22.109 830 HD13 LEU 104 3HD1 LEU 104 24.394 19.522 -21.796 831 HD21 LEU 104 3HD2 LEU 104 25.851 20.021 -18.415 832 HD22 LEU 104 1HD2 LEU 104 24.696 20.661 -19.611 833 HD23 LEU 104 2HD2 LEU 104 26.440 20.807 -19.891 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 15.600 15.886 -4.400 2 H2 GLY 1 2H GLY 1 16.244 16.381 -5.825 3 H3 GLY 1 3H GLY 1 17.032 16.679 -4.419 4 HA2 GLY 1 2HA GLY 1 16.565 14.024 -5.612 5 HA3 GLY 1 3HA GLY 1 18.117 14.880 -5.562 6 H SER 2 H SER 2 18.545 12.635 -4.561 7 HA SER 2 HA SER 2 17.637 11.969 -1.935 8 HB2 SER 2 2HB SER 2 18.664 10.389 -3.583 9 HB3 SER 2 3HB SER 2 20.237 11.153 -3.288 10 HG SER 2 HG SER 2 18.648 9.554 -1.580 11 H ALA 3 H ALA 3 18.560 12.118 0.080 12 HA ALA 3 HA ALA 3 20.250 14.422 0.679 13 HB1 ALA 3 1HB ALA 3 19.112 12.220 2.462 14 HB2 ALA 3 2HB ALA 3 19.845 13.742 3.012 15 HB3 ALA 3 3HB ALA 3 18.331 13.776 2.090 16 H MET 4 H MET 4 20.796 10.979 0.319 17 HA MET 4 HA MET 4 22.463 9.528 0.983 18 HB2 MET 4 2HB MET 4 23.995 11.673 -0.529 19 HB3 MET 4 3HB MET 4 24.618 10.057 -0.158 20 HG2 MET 4 2HG MET 4 22.731 9.034 -1.374 21 HG3 MET 4 3HG MET 4 22.153 10.641 -1.829 22 HE1 MET 4 3HE MET 4 22.952 8.029 -3.723 23 HE2 MET 4 1HE MET 4 22.124 9.494 -4.300 24 HE3 MET 4 2HE MET 4 23.591 8.917 -5.123 25 H ALA 5 H ALA 5 21.967 10.301 3.287 26 HA ALA 5 HA ALA 5 24.430 11.320 4.648 27 HB1 ALA 5 1HB ALA 5 21.535 12.081 5.189 28 HB2 ALA 5 2HB ALA 5 22.961 12.653 6.083 29 HB3 ALA 5 3HB ALA 5 22.752 13.093 4.380 30 H ASP 6 H ASP 6 25.239 9.616 5.691 31 HA ASP 6 HA ASP 6 23.877 7.331 6.617 32 HB2 ASP 6 2HB ASP 6 26.310 7.565 6.108 33 HB3 ASP 6 3HB ASP 6 26.512 8.504 7.588 34 H ILE 7 H ILE 7 24.280 10.381 8.257 35 HA ILE 7 HA ILE 7 23.691 9.552 10.938 36 HB ILE 7 HB ILE 7 24.804 11.659 10.307 37 HG12 ILE 7 2HG1 ILE 7 23.784 13.206 11.869 38 HG13 ILE 7 3HG1 ILE 7 22.300 12.267 11.923 39 HG21 ILE 7 1HG2 ILE 7 23.440 12.280 8.339 40 HG22 ILE 7 2HG2 ILE 7 22.068 12.652 9.405 41 HG23 ILE 7 3HG2 ILE 7 23.560 13.601 9.501 42 HD11 ILE 7 3HD1 ILE 7 23.501 10.396 13.006 43 HD12 ILE 7 1HD1 ILE 7 25.043 11.275 12.835 44 HD13 ILE 7 2HD1 ILE 7 23.765 11.902 13.896 45 H GLY 8 H GLY 8 21.594 9.743 8.207 46 HA2 GLY 8 2HA GLY 8 19.331 9.153 8.063 47 HA3 GLY 8 3HA GLY 8 19.239 9.053 9.818 48 H SER 9 H SER 9 17.171 10.113 9.550 49 HA SER 9 HA SER 9 17.353 13.093 9.465 50 HB2 SER 9 2HB SER 9 16.451 12.253 7.305 51 HB3 SER 9 3HB SER 9 15.137 11.450 8.187 52 HG SER 9 HG SER 9 14.570 13.556 7.391 53 H GLU 10 H GLU 10 16.457 14.034 11.166 54 HA GLU 10 HA GLU 10 14.572 12.539 12.960 55 HB2 GLU 10 2HB GLU 10 16.948 14.231 13.815 56 HB3 GLU 10 3HB GLU 10 15.716 13.543 14.886 57 HG2 GLU 10 2HG GLU 10 16.358 11.253 14.031 58 HG3 GLU 10 3HG GLU 10 17.720 12.001 13.189 59 H PHE 11 H PHE 11 12.950 13.662 11.712 60 HA PHE 11 HA PHE 11 12.208 16.213 12.963 61 HB2 PHE 11 2HB PHE 11 13.577 16.514 10.689 62 HB3 PHE 11 3HB PHE 11 12.040 16.103 9.949 63 HD1 PHE 11 1HD PHE 11 13.591 18.347 12.534 64 HD2 PHE 11 2HD PHE 11 10.478 17.904 9.577 65 HE1 PHE 11 1HE PHE 11 12.935 20.712 12.872 66 HE2 PHE 11 2HE PHE 11 9.824 20.277 9.920 67 HZ PHE 11 HZ PHE 11 11.051 21.687 11.566 68 H GLU 12 H GLU 12 9.959 16.902 11.931 69 HA GLU 12 HA GLU 12 8.010 14.893 12.541 70 HB2 GLU 12 2HB GLU 12 7.818 17.542 11.048 71 HB3 GLU 12 3HB GLU 12 6.417 16.545 11.426 72 HG2 GLU 12 2HG GLU 12 8.319 17.740 13.487 73 HG3 GLU 12 3HG GLU 12 6.752 18.399 13.034 74 H LYS 13 H LYS 13 6.924 13.463 11.380 75 HA LYS 13 HA LYS 13 7.534 13.085 8.483 76 HB2 LYS 13 2HB LYS 13 6.715 10.830 8.754 77 HB3 LYS 13 3HB LYS 13 8.027 11.173 9.858 78 HG2 LYS 13 2HG LYS 13 5.178 11.471 10.831 79 HG3 LYS 13 3HG LYS 13 5.800 9.856 10.594 80 HD2 LYS 13 2HD LYS 13 7.337 11.801 12.355 81 HD3 LYS 13 3HD LYS 13 5.902 10.972 12.931 82 HE2 LYS 13 2HE LYS 13 7.673 9.639 13.659 83 HE3 LYS 13 3HE LYS 13 6.942 8.767 12.314 84 HZ1 LYS 13 3HZ LYS 13 8.778 9.531 10.907 85 HZ2 LYS 13 1HZ LYS 13 9.383 8.784 12.220 86 HZ3 LYS 13 2HZ LYS 13 9.420 10.410 12.135 87 H THR 14 H THR 14 5.031 14.321 10.384 88 HA THR 14 HA THR 14 2.958 13.897 8.285 89 HB THR 14 HB THR 14 1.410 14.513 10.304 90 HG1 THR 14 1HG THR 14 2.929 15.101 11.819 91 HG21 THR 14 3HG2 THR 14 1.469 12.292 9.304 92 HG22 THR 14 1HG2 THR 14 1.379 12.184 11.071 93 HG23 THR 14 2HG2 THR 14 2.919 11.877 10.240 94 HA PRO 15 HA PRO 15 2.549 18.332 7.823 95 HB2 PRO 15 2HB PRO 15 -0.025 18.591 6.968 96 HB3 PRO 15 3HB PRO 15 1.231 17.792 5.977 97 HG2 PRO 15 2HG PRO 15 -0.811 16.473 7.800 98 HG3 PRO 15 3HG PRO 15 -0.444 16.080 6.089 99 HD2 PRO 15 2HD PRO 15 0.672 14.706 8.158 100 HD3 PRO 15 3HD PRO 15 1.592 15.046 6.663 101 H SER 16 H SER 16 1.378 20.189 8.656 102 HA SER 16 HA SER 16 0.740 20.039 11.466 103 HB2 SER 16 2HB SER 16 1.804 21.973 10.217 104 HB3 SER 16 3HB SER 16 0.206 22.343 9.551 105 HG SER 16 HG SER 16 1.032 22.354 12.290 106 H LEU 17 H LEU 17 -1.259 19.855 8.620 107 HA LEU 17 HA LEU 17 -3.805 20.458 9.924 108 HB2 LEU 17 2HB LEU 17 -2.962 19.494 7.181 109 HB3 LEU 17 3HB LEU 17 -4.632 19.337 7.677 110 HG LEU 17 HG LEU 17 -4.241 21.317 6.316 111 HD11 LEU 17 1HD1 LEU 17 -5.111 22.053 9.139 112 HD12 LEU 17 2HD1 LEU 17 -6.120 21.231 7.926 113 HD13 LEU 17 3HD1 LEU 17 -5.540 22.877 7.629 114 HD21 LEU 17 3HD2 LEU 17 -2.698 22.483 8.665 115 HD22 LEU 17 1HD2 LEU 17 -3.136 23.296 7.152 116 HD23 LEU 17 2HD2 LEU 17 -1.982 21.953 7.121 117 H THR 18 H THR 18 -3.680 19.088 11.735 118 HA THR 18 HA THR 18 -4.007 16.213 11.593 119 HB THR 18 HB THR 18 -5.234 17.991 13.726 120 HG1 THR 18 1HG THR 18 -2.507 17.240 13.515 121 HG21 THR 18 3HG2 THR 18 -5.610 15.599 14.069 122 HG22 THR 18 1HG2 THR 18 -4.434 16.176 15.245 123 HG23 THR 18 2HG2 THR 18 -3.881 15.254 13.829 124 H ARG 19 H ARG 19 -6.004 15.026 11.896 125 HA ARG 19 HA ARG 19 -8.469 16.376 10.834 126 HB2 ARG 19 2HB ARG 19 -7.185 14.270 9.677 127 HB3 ARG 19 3HB ARG 19 -8.185 13.388 10.822 128 HG2 ARG 19 2HG ARG 19 -10.070 15.098 9.715 129 HG3 ARG 19 3HG ARG 19 -8.911 14.990 8.396 130 HD2 ARG 19 2HD ARG 19 -10.340 13.243 7.901 131 HD3 ARG 19 3HD ARG 19 -9.062 12.411 8.764 132 HE ARG 19 HE ARG 19 -10.525 12.389 10.798 133 HH11 ARG 19 1HH1 ARG 19 -12.232 13.401 7.914 134 HH12 ARG 19 2HH1 ARG 19 -13.781 12.954 8.569 135 HH21 ARG 19 1HH2 ARG 19 -12.545 11.685 11.519 136 HH22 ARG 19 2HH2 ARG 19 -13.928 12.061 10.547 137 H ARG 20 H ARG 20 -10.519 15.368 11.582 138 HA ARG 20 HA ARG 20 -10.769 14.915 14.462 139 HB2 ARG 20 2HB ARG 20 -12.654 14.572 12.088 140 HB3 ARG 20 3HB ARG 20 -13.108 14.059 13.713 141 HG2 ARG 20 2HG ARG 20 -12.668 16.351 14.571 142 HG3 ARG 20 3HG ARG 20 -12.343 16.903 12.922 143 HD2 ARG 20 2HD ARG 20 -14.952 15.603 13.829 144 HD3 ARG 20 3HD ARG 20 -14.675 17.351 13.803 145 HE ARG 20 HE ARG 20 -14.054 16.449 11.216 146 HH11 ARG 20 1HH1 ARG 20 -16.939 16.564 13.181 147 HH12 ARG 20 2HH1 ARG 20 -17.991 16.738 11.802 148 HH21 ARG 20 1HH2 ARG 20 -15.431 16.670 9.495 149 HH22 ARG 20 2HH2 ARG 20 -17.142 16.792 9.767 150 H ILE 21 H ILE 21 -11.628 13.016 15.390 151 HA ILE 21 HA ILE 21 -10.170 10.619 15.085 152 HB ILE 21 HB ILE 21 -11.429 11.569 17.077 153 HG12 ILE 21 2HG1 ILE 21 -11.859 8.605 16.581 154 HG13 ILE 21 3HG1 ILE 21 -10.332 9.369 17.054 155 HG21 ILE 21 1HG2 ILE 21 -13.633 11.862 15.882 156 HG22 ILE 21 2HG2 ILE 21 -13.838 10.098 15.936 157 HG23 ILE 21 3HG2 ILE 21 -13.749 11.041 17.438 158 HD11 ILE 21 3HD1 ILE 21 -11.375 8.412 19.000 159 HD12 ILE 21 1HD1 ILE 21 -11.400 10.180 19.150 160 HD13 ILE 21 2HD1 ILE 21 -12.882 9.294 18.705 161 H ASP 22 H ASP 22 -11.176 8.388 14.669 162 HA ASP 22 HA ASP 22 -13.285 8.315 12.576 163 HB2 ASP 22 2HB ASP 22 -11.089 8.233 11.450 164 HB3 ASP 22 3HB ASP 22 -10.603 6.871 12.466 165 H ASP 23 H ASP 23 -14.422 6.310 12.505 166 HA ASP 23 HA ASP 23 -15.036 5.098 14.980 167 HB2 ASP 23 2HB ASP 23 -15.421 4.096 12.129 168 HB3 ASP 23 3HB ASP 23 -16.201 3.399 13.545 169 H THR 24 H THR 24 -12.653 4.070 12.515 170 HA THR 24 HA THR 24 -12.320 1.423 13.461 171 HB THR 24 HB THR 24 -10.055 2.915 12.123 172 HG1 THR 24 1HG THR 24 -11.731 3.480 10.911 173 HG21 THR 24 3HG2 THR 24 -11.165 0.068 11.956 174 HG22 THR 24 1HG2 THR 24 -9.609 0.562 12.663 175 HG23 THR 24 2HG2 THR 24 -9.879 0.704 10.920 176 H ILE 25 H ILE 25 -10.930 4.365 14.715 177 HA ILE 25 HA ILE 25 -8.818 3.298 16.342 178 HB ILE 25 HB ILE 25 -10.627 5.717 16.614 179 HG12 ILE 25 2HG1 ILE 25 -7.620 5.634 16.152 180 HG13 ILE 25 3HG1 ILE 25 -8.764 5.545 14.810 181 HG21 ILE 25 1HG2 ILE 25 -9.081 6.521 18.431 182 HG22 ILE 25 2HG2 ILE 25 -10.070 5.156 18.901 183 HG23 ILE 25 3HG2 ILE 25 -8.364 4.895 18.472 184 HD11 ILE 25 3HD1 ILE 25 -9.674 7.730 15.401 185 HD12 ILE 25 1HD1 ILE 25 -8.565 7.854 16.789 186 HD13 ILE 25 2HD1 ILE 25 -7.922 7.830 15.153 187 H PHE 26 H PHE 26 -12.317 3.557 16.919 188 HA PHE 26 HA PHE 26 -12.076 2.260 19.560 189 HB2 PHE 26 2HB PHE 26 -13.603 4.148 19.241 190 HB3 PHE 26 3HB PHE 26 -14.453 3.280 17.970 191 HD1 PHE 26 2HD PHE 26 -13.321 2.178 21.429 192 HD2 PHE 26 1HD PHE 26 -16.628 2.908 18.744 193 HE1 PHE 26 2HE PHE 26 -14.891 1.273 23.111 194 HE2 PHE 26 1HE PHE 26 -18.196 2.019 20.447 195 HZ PHE 26 HZ PHE 26 -17.332 1.191 22.630 196 H GLN 27 H GLN 27 -13.360 1.456 16.313 197 HA GLN 27 HA GLN 27 -14.524 -1.042 17.078 198 HB2 GLN 27 2HB GLN 27 -13.588 -0.146 14.326 199 HB3 GLN 27 3HB GLN 27 -14.623 -1.521 14.660 200 HG2 GLN 27 2HG GLN 27 -15.892 0.702 15.937 201 HG3 GLN 27 3HG GLN 27 -15.338 1.279 14.370 202 HE21 GLN 27 1HE2 GLN 27 -16.561 0.713 12.522 203 HE22 GLN 27 2HE2 GLN 27 -17.895 -0.431 12.615 204 H ASN 28 H ASN 28 -11.155 -0.340 16.304 205 HA ASN 28 HA ASN 28 -10.566 -3.263 16.455 206 HB2 ASN 28 2HB ASN 28 -10.512 -2.356 14.127 207 HB3 ASN 28 3HB ASN 28 -9.197 -1.287 14.613 208 HD21 ASN 28 1HD2 ASN 28 -7.270 -2.171 13.828 209 HD22 ASN 28 2HD2 ASN 28 -6.936 -3.901 13.881 210 HA PRO 29 HA PRO 29 -8.335 -1.409 19.879 211 HB2 PRO 29 2HB PRO 29 -7.573 -3.661 21.252 212 HB3 PRO 29 3HB PRO 29 -9.255 -3.053 21.196 213 HG2 PRO 29 2HG PRO 29 -7.998 -5.204 19.459 214 HG3 PRO 29 3HG PRO 29 -9.534 -5.290 20.384 215 HD2 PRO 29 2HD PRO 29 -9.503 -4.681 17.746 216 HD3 PRO 29 3HD PRO 29 -10.635 -3.847 18.856 217 H MET 30 H MET 30 -6.806 -3.405 17.503 218 HA MET 30 HA MET 30 -4.065 -3.322 18.323 219 HB2 MET 30 2HB MET 30 -5.256 -3.124 15.529 220 HB3 MET 30 3HB MET 30 -3.571 -3.476 15.897 221 HG2 MET 30 2HG MET 30 -4.103 -5.588 16.876 222 HG3 MET 30 3HG MET 30 -5.829 -5.238 16.891 223 HE1 MET 30 3HE MET 30 -3.505 -4.464 13.651 224 HE2 MET 30 1HE MET 30 -2.718 -5.751 14.594 225 HE3 MET 30 2HE MET 30 -3.439 -6.114 13.008 226 H VAL 31 H VAL 31 -6.169 -0.805 17.109 227 HA VAL 31 HA VAL 31 -4.234 1.074 16.195 228 HB VAL 31 HB VAL 31 -7.021 1.515 17.339 229 HG11 VAL 31 1HG1 VAL 31 -6.721 3.699 15.903 230 HG12 VAL 31 2HG1 VAL 31 -6.087 3.662 17.558 231 HG13 VAL 31 3HG1 VAL 31 -5.006 3.454 16.169 232 HG21 VAL 31 3HG2 VAL 31 -6.942 0.217 15.214 233 HG22 VAL 31 1HG2 VAL 31 -7.622 1.820 14.954 234 HG23 VAL 31 2HG2 VAL 31 -5.944 1.490 14.488 235 H GLN 32 H GLN 32 -5.822 0.877 19.403 236 HA GLN 32 HA GLN 32 -4.507 2.979 20.709 237 HB2 GLN 32 2HB GLN 32 -5.418 0.275 21.782 238 HB3 GLN 32 3HB GLN 32 -4.937 1.618 22.809 239 HG2 GLN 32 2HG GLN 32 -7.227 1.828 20.798 240 HG3 GLN 32 3HG GLN 32 -7.437 1.286 22.457 241 HE21 GLN 32 1HE2 GLN 32 -6.982 2.833 24.247 242 HE22 GLN 32 2HE2 GLN 32 -7.047 4.551 23.872 243 H GLU 33 H GLU 33 -3.400 -0.388 20.417 244 HA GLU 33 HA GLU 33 -0.988 -0.136 21.924 245 HB2 GLU 33 2HB GLU 33 -1.990 -2.275 21.523 246 HB3 GLU 33 3HB GLU 33 -1.934 -2.060 19.781 247 HG2 GLU 33 2HG GLU 33 -0.298 -3.667 20.552 248 HG3 GLU 33 3HG GLU 33 0.465 -2.313 19.725 249 H ALA 34 H ALA 34 -1.598 0.530 18.452 250 HA ALA 34 HA ALA 34 1.182 0.814 17.748 251 HB1 ALA 34 1HB ALA 34 0.344 1.901 15.733 252 HB2 ALA 34 2HB ALA 34 -0.607 0.450 16.092 253 HB3 ALA 34 3HB ALA 34 -1.274 2.054 16.449 254 H ILE 35 H ILE 35 -1.278 3.296 18.687 255 HA ILE 35 HA ILE 35 0.591 5.489 18.806 256 HB ILE 35 HB ILE 35 -1.989 5.087 20.366 257 HG12 ILE 35 2HG1 ILE 35 -2.359 7.237 18.661 258 HG13 ILE 35 3HG1 ILE 35 -1.267 6.268 17.690 259 HG21 ILE 35 1HG2 ILE 35 -0.229 7.569 20.187 260 HG22 ILE 35 2HG2 ILE 35 -1.879 7.530 20.836 261 HG23 ILE 35 3HG2 ILE 35 -0.613 6.640 21.656 262 HD11 ILE 35 3HD1 ILE 35 -2.819 4.380 17.836 263 HD12 ILE 35 1HD1 ILE 35 -3.877 5.274 18.939 264 HD13 ILE 35 2HD1 ILE 35 -3.684 5.798 17.252 265 H ARG 36 H ARG 36 -0.230 3.034 21.264 266 HA ARG 36 HA ARG 36 1.296 4.126 23.385 267 HB2 ARG 36 2HB ARG 36 -0.415 2.291 23.506 268 HB3 ARG 36 3HB ARG 36 0.804 1.160 22.899 269 HG2 ARG 36 2HG ARG 36 2.171 1.457 24.873 270 HG3 ARG 36 3HG ARG 36 1.234 2.870 25.375 271 HD2 ARG 36 2HD ARG 36 0.614 1.076 26.782 272 HD3 ARG 36 3HD ARG 36 -0.760 1.405 25.720 273 HE ARG 36 HE ARG 36 0.423 -0.628 24.343 274 HH11 ARG 36 1HH1 ARG 36 -0.278 -0.509 27.786 275 HH12 ARG 36 2HH1 ARG 36 -0.401 -2.249 27.866 276 HH21 ARG 36 1HH2 ARG 36 0.218 -2.645 24.505 277 HH22 ARG 36 2HH2 ARG 36 -0.115 -3.494 26.022 278 H MET 37 H MET 37 2.561 2.509 20.561 279 HA MET 37 HA MET 37 5.259 2.218 21.741 280 HB2 MET 37 2HB MET 37 4.442 2.006 18.820 281 HB3 MET 37 3HB MET 37 5.994 1.576 19.545 282 HG2 MET 37 2HG MET 37 4.453 0.013 21.072 283 HG3 MET 37 3HG MET 37 3.386 0.126 19.675 284 HE1 MET 37 3HE MET 37 4.662 -0.100 17.133 285 HE2 MET 37 1HE MET 37 6.312 0.405 17.565 286 HE3 MET 37 2HE MET 37 6.038 -1.203 16.875 287 H GLY 38 H GLY 38 3.549 4.894 20.541 288 HA2 GLY 38 2HA GLY 38 4.637 7.041 20.871 289 HA3 GLY 38 3HA GLY 38 6.077 6.437 20.060 290 H PHE 39 H PHE 39 3.515 5.306 18.225 291 HA PHE 39 HA PHE 39 3.865 7.257 16.094 292 HB2 PHE 39 2HB PHE 39 1.896 4.993 16.543 293 HB3 PHE 39 3HB PHE 39 1.911 5.989 15.096 294 HD1 PHE 39 2HD PHE 39 4.121 6.144 13.730 295 HD2 PHE 39 1HD PHE 39 3.204 2.984 16.520 296 HE1 PHE 39 2HE PHE 39 5.712 4.635 12.563 297 HE2 PHE 39 1HE PHE 39 4.776 1.485 15.345 298 HZ PHE 39 HZ PHE 39 6.022 2.297 13.370 299 H SER 40 H SER 40 2.014 8.382 15.052 300 HA SER 40 HA SER 40 0.435 9.962 17.010 301 HB2 SER 40 2HB SER 40 0.780 10.249 13.992 302 HB3 SER 40 3HB SER 40 -0.091 11.368 15.050 303 HG SER 40 HG SER 40 2.693 10.799 15.002 304 H PHE 41 H PHE 41 -1.776 9.873 17.207 305 HA PHE 41 HA PHE 41 -3.412 7.780 16.325 306 HB2 PHE 41 2HB PHE 41 -3.914 10.568 17.328 307 HB3 PHE 41 3HB PHE 41 -5.244 9.770 16.524 308 HD1 PHE 41 2HD PHE 41 -6.056 7.503 17.307 309 HD2 PHE 41 1HD PHE 41 -3.419 9.997 19.642 310 HE1 PHE 41 2HE PHE 41 -6.690 6.261 19.367 311 HE2 PHE 41 1HE PHE 41 -4.064 8.748 21.691 312 HZ PHE 41 HZ PHE 41 -5.696 6.875 21.549 313 H LYS 42 H LYS 42 -2.985 10.900 14.739 314 HA LYS 42 HA LYS 42 -4.697 10.610 12.512 315 HB2 LYS 42 2HB LYS 42 -3.739 12.698 13.210 316 HB3 LYS 42 3HB LYS 42 -2.100 12.159 12.874 317 HG2 LYS 42 2HG LYS 42 -4.114 12.204 10.613 318 HG3 LYS 42 3HG LYS 42 -3.476 13.732 11.219 319 HD2 LYS 42 2HD LYS 42 -1.157 12.967 10.844 320 HD3 LYS 42 3HD LYS 42 -1.739 11.455 10.151 321 HE2 LYS 42 2HE LYS 42 -2.399 14.233 9.071 322 HE3 LYS 42 3HE LYS 42 -1.069 13.224 8.490 323 HZ1 LYS 42 3HZ LYS 42 -3.940 12.478 8.347 324 HZ2 LYS 42 1HZ LYS 42 -2.696 11.535 7.847 325 HZ3 LYS 42 2HZ LYS 42 -3.012 12.948 7.091 326 H ASP 43 H ASP 43 -1.445 9.248 12.915 327 HA ASP 43 HA ASP 43 -1.291 8.361 10.102 328 HB2 ASP 43 2HB ASP 43 0.377 7.684 12.561 329 HB3 ASP 43 3HB ASP 43 0.618 6.942 10.983 330 H ILE 44 H ILE 44 -2.054 6.836 13.261 331 HA ILE 44 HA ILE 44 -2.286 4.232 12.114 332 HB ILE 44 HB ILE 44 -3.857 4.984 14.583 333 HG12 ILE 44 2HG1 ILE 44 -1.771 5.868 15.240 334 HG13 ILE 44 3HG1 ILE 44 -1.830 4.253 15.894 335 HG21 ILE 44 1HG2 ILE 44 -4.218 2.751 13.689 336 HG22 ILE 44 2HG2 ILE 44 -2.482 2.459 13.514 337 HG23 ILE 44 3HG2 ILE 44 -3.191 2.593 15.123 338 HD11 ILE 44 3HD1 ILE 44 0.310 4.279 15.096 339 HD12 ILE 44 1HD1 ILE 44 -0.533 3.577 13.724 340 HD13 ILE 44 2HD1 ILE 44 -0.079 5.290 13.685 341 H LYS 45 H LYS 45 -4.862 6.638 12.838 342 HA LYS 45 HA LYS 45 -6.992 5.085 11.691 343 HB2 LYS 45 2HB LYS 45 -8.309 7.075 11.676 344 HB3 LYS 45 3HB LYS 45 -7.373 6.971 13.151 345 HG2 LYS 45 2HG LYS 45 -7.047 9.186 12.747 346 HG3 LYS 45 3HG LYS 45 -5.681 8.552 11.848 347 HD2 LYS 45 2HD LYS 45 -6.694 10.199 10.453 348 HD3 LYS 45 3HD LYS 45 -7.148 8.647 9.752 349 HE2 LYS 45 2HE LYS 45 -9.237 8.966 11.438 350 HE3 LYS 45 3HE LYS 45 -8.820 10.663 11.231 351 HZ1 LYS 45 3HZ LYS 45 -9.045 10.322 8.799 352 HZ2 LYS 45 1HZ LYS 45 -10.439 9.875 9.540 353 HZ3 LYS 45 2HZ LYS 45 -9.390 8.756 8.983 354 H LYS 46 H LYS 46 -4.724 7.319 10.130 355 HA LYS 46 HA LYS 46 -5.919 7.229 7.519 356 HB2 LYS 46 2HB LYS 46 -4.352 8.988 8.240 357 HB3 LYS 46 3HB LYS 46 -3.037 7.815 8.320 358 HG2 LYS 46 2HG LYS 46 -2.853 9.138 6.313 359 HG3 LYS 46 3HG LYS 46 -3.186 7.477 5.867 360 HD2 LYS 46 2HD LYS 46 -5.682 9.033 6.161 361 HD3 LYS 46 3HD LYS 46 -4.567 9.821 5.049 362 HE2 LYS 46 2HE LYS 46 -4.404 7.847 3.654 363 HE3 LYS 46 3HE LYS 46 -5.297 6.879 4.835 364 HZ1 LYS 46 3HZ LYS 46 -7.238 8.268 4.449 365 HZ2 LYS 46 1HZ LYS 46 -6.758 7.595 3.039 366 HZ3 LYS 46 2HZ LYS 46 -6.445 9.176 3.347 367 H ILE 47 H ILE 47 -3.219 5.269 8.880 368 HA ILE 47 HA ILE 47 -3.037 3.755 6.429 369 HB ILE 47 HB ILE 47 -1.247 4.090 8.269 370 HG12 ILE 47 2HG1 ILE 47 -1.600 1.418 6.869 371 HG13 ILE 47 3HG1 ILE 47 -1.059 2.912 6.103 372 HG21 ILE 47 1HG2 ILE 47 -2.468 1.486 9.305 373 HG22 ILE 47 2HG2 ILE 47 -0.960 2.225 9.835 374 HG23 ILE 47 3HG2 ILE 47 -2.481 3.049 10.152 375 HD11 ILE 47 3HD1 ILE 47 0.434 1.317 8.201 376 HD12 ILE 47 1HD1 ILE 47 0.890 1.691 6.525 377 HD13 ILE 47 2HD1 ILE 47 0.870 2.983 7.729 378 H MET 48 H MET 48 -4.838 3.183 9.436 379 HA MET 48 HA MET 48 -5.929 0.625 8.850 380 HB2 MET 48 2HB MET 48 -6.939 3.008 10.438 381 HB3 MET 48 3HB MET 48 -7.890 1.539 10.276 382 HG2 MET 48 2HG MET 48 -5.027 1.247 11.125 383 HG3 MET 48 3HG MET 48 -6.183 1.894 12.288 384 HE1 MET 48 3HE MET 48 -4.314 -0.915 11.948 385 HE2 MET 48 1HE MET 48 -4.995 -0.496 13.537 386 HE3 MET 48 2HE MET 48 -5.298 -2.099 12.823 387 H GLU 49 H GLU 49 -7.510 3.837 8.213 388 HA GLU 49 HA GLU 49 -9.676 2.690 6.773 389 HB2 GLU 49 2HB GLU 49 -10.278 4.898 6.108 390 HB3 GLU 49 3HB GLU 49 -9.647 4.985 7.755 391 HG2 GLU 49 2HG GLU 49 -7.420 5.661 6.739 392 HG3 GLU 49 3HG GLU 49 -8.212 5.740 5.171 393 H GLU 50 H GLU 50 -6.529 3.885 5.530 394 HA GLU 50 HA GLU 50 -7.201 3.536 2.765 395 HB2 GLU 50 2HB GLU 50 -5.458 5.013 3.786 396 HB3 GLU 50 3HB GLU 50 -4.412 3.621 3.997 397 HG2 GLU 50 2HG GLU 50 -5.614 4.439 1.305 398 HG3 GLU 50 3HG GLU 50 -4.184 5.229 1.950 399 H LYS 51 H LYS 51 -5.442 1.386 5.049 400 HA LYS 51 HA LYS 51 -4.988 -0.830 3.329 401 HB2 LYS 51 2HB LYS 51 -4.030 -0.709 5.564 402 HB3 LYS 51 3HB LYS 51 -5.627 -0.698 6.305 403 HG2 LYS 51 2HG LYS 51 -4.660 -2.862 6.608 404 HG3 LYS 51 3HG LYS 51 -6.030 -3.012 5.526 405 HD2 LYS 51 2HD LYS 51 -4.526 -3.218 3.582 406 HD3 LYS 51 3HD LYS 51 -3.133 -2.832 4.598 407 HE2 LYS 51 2HE LYS 51 -3.097 -5.196 4.311 408 HE3 LYS 51 3HE LYS 51 -3.581 -4.868 5.974 409 HZ1 LYS 51 3HZ LYS 51 -5.004 -6.560 5.086 410 HZ2 LYS 51 1HZ LYS 51 -5.360 -5.718 3.741 411 HZ3 LYS 51 2HZ LYS 51 -5.947 -5.227 5.191 412 H ILE 52 H ILE 52 -7.822 -0.267 5.449 413 HA ILE 52 HA ILE 52 -9.295 -2.533 4.522 414 HB ILE 52 HB ILE 52 -10.283 0.054 5.775 415 HG12 ILE 52 2HG1 ILE 52 -9.902 -2.682 7.081 416 HG13 ILE 52 3HG1 ILE 52 -8.621 -1.486 7.072 417 HG21 ILE 52 1HG2 ILE 52 -12.313 -1.286 6.404 418 HG22 ILE 52 2HG2 ILE 52 -12.175 -1.091 4.664 419 HG23 ILE 52 3HG2 ILE 52 -11.707 -2.632 5.418 420 HD11 ILE 52 3HD1 ILE 52 -11.311 -1.243 8.444 421 HD12 ILE 52 1HD1 ILE 52 -9.686 -1.210 9.146 422 HD13 ILE 52 2HD1 ILE 52 -10.238 0.152 8.165 423 H GLN 53 H GLN 53 -9.408 0.864 3.359 424 HA GLN 53 HA GLN 53 -11.432 0.555 1.412 425 HB2 GLN 53 2HB GLN 53 -10.581 2.688 2.259 426 HB3 GLN 53 3HB GLN 53 -9.025 2.417 1.458 427 HG2 GLN 53 2HG GLN 53 -10.127 2.552 -0.748 428 HG3 GLN 53 3HG GLN 53 -11.707 2.666 0.036 429 HE21 GLN 53 1HE2 GLN 53 -12.252 4.773 -0.790 430 HE22 GLN 53 2HE2 GLN 53 -11.330 6.189 -0.294 431 H ILE 54 H ILE 54 -7.875 0.205 0.959 432 HA ILE 54 HA ILE 54 -8.151 -0.561 -1.856 433 HB ILE 54 HB ILE 54 -5.786 -0.568 0.056 434 HG12 ILE 54 2HG1 ILE 54 -6.472 1.696 -0.373 435 HG13 ILE 54 3HG1 ILE 54 -5.010 1.375 -1.279 436 HG21 ILE 54 1HG2 ILE 54 -4.357 -0.748 -1.990 437 HG22 ILE 54 2HG2 ILE 54 -5.261 -2.211 -1.625 438 HG23 ILE 54 3HG2 ILE 54 -5.810 -1.141 -2.933 439 HD11 ILE 54 3HD1 ILE 54 -7.842 1.582 -2.378 440 HD12 ILE 54 1HD1 ILE 54 -6.500 2.703 -2.627 441 HD13 ILE 54 2HD1 ILE 54 -6.437 1.090 -3.356 442 H SER 55 H SER 55 -7.163 -2.365 1.065 443 HA SER 55 HA SER 55 -6.823 -4.870 -0.377 444 HB2 SER 55 2HB SER 55 -5.439 -4.063 1.547 445 HB3 SER 55 3HB SER 55 -6.844 -4.278 2.605 446 HG SER 55 HG SER 55 -5.556 -6.341 1.122 447 H GLY 56 H GLY 56 -9.483 -3.457 1.450 448 HA2 GLY 56 2HA GLY 56 -11.694 -4.183 1.508 449 HA3 GLY 56 3HA GLY 56 -11.221 -5.776 0.918 450 H SER 57 H SER 57 -9.109 -5.289 3.389 451 HA SER 57 HA SER 57 -10.885 -5.837 5.679 452 HB2 SER 57 2HB SER 57 -10.475 -8.045 4.558 453 HB3 SER 57 3HB SER 57 -8.741 -7.842 4.866 454 HG SER 57 HG SER 57 -9.084 -8.400 6.889 455 H ASN 58 H ASN 58 -9.780 -5.865 7.685 456 HA ASN 58 HA ASN 58 -7.804 -3.776 7.998 457 HB2 ASN 58 2HB ASN 58 -9.862 -4.537 9.463 458 HB3 ASN 58 3HB ASN 58 -8.732 -5.673 10.187 459 HD21 ASN 58 1HD2 ASN 58 -10.218 -3.042 11.101 460 HD22 ASN 58 2HD2 ASN 58 -8.859 -2.105 11.733 461 H TYR 59 H TYR 59 -5.955 -4.221 9.652 462 HA TYR 59 HA TYR 59 -3.979 -5.992 8.501 463 HB2 TYR 59 2HB TYR 59 -4.114 -4.195 10.944 464 HB3 TYR 59 3HB TYR 59 -2.743 -5.261 10.670 465 HD1 TYR 59 2HD TYR 59 -1.520 -5.179 8.445 466 HD2 TYR 59 1HD TYR 59 -4.190 -2.055 9.761 467 HE1 TYR 59 2HE TYR 59 -0.532 -3.633 6.774 468 HE2 TYR 59 1HE TYR 59 -3.169 -0.499 8.086 469 HH TYR 59 HH TYR 59 -0.589 -1.600 5.845 470 H LYS 60 H LYS 60 -3.159 -7.854 9.197 471 HA LYS 60 HA LYS 60 -4.749 -9.739 10.695 472 HB2 LYS 60 2HB LYS 60 -1.963 -9.734 9.478 473 HB3 LYS 60 3HB LYS 60 -2.468 -11.079 10.483 474 HG2 LYS 60 2HG LYS 60 -4.135 -10.134 8.117 475 HG3 LYS 60 3HG LYS 60 -2.808 -11.271 7.920 476 HD2 LYS 60 2HD LYS 60 -5.170 -11.736 9.797 477 HD3 LYS 60 3HD LYS 60 -5.114 -12.319 8.141 478 HE2 LYS 60 2HE LYS 60 -3.033 -13.058 10.252 479 HE3 LYS 60 3HE LYS 60 -4.496 -13.994 9.956 480 HZ1 LYS 60 3HZ LYS 60 -3.764 -14.354 7.675 481 HZ2 LYS 60 1HZ LYS 60 -2.616 -14.878 8.705 482 HZ3 LYS 60 2HZ LYS 60 -2.407 -13.472 7.907 483 H SER 61 H SER 61 -1.618 -8.276 11.457 484 HA SER 61 HA SER 61 -2.044 -8.603 14.386 485 HB2 SER 61 2HB SER 61 0.382 -9.688 12.883 486 HB3 SER 61 3HB SER 61 0.161 -9.695 14.638 487 HG SER 61 HG SER 61 -1.617 -11.100 14.360 488 H LEU 62 H LEU 62 -0.319 -7.552 15.638 489 HA LEU 62 HA LEU 62 0.131 -4.856 14.963 490 HB2 LEU 62 2HB LEU 62 1.799 -6.616 16.810 491 HB3 LEU 62 3HB LEU 62 1.766 -4.857 16.816 492 HG LEU 62 HG LEU 62 -0.589 -6.663 17.520 493 HD11 LEU 62 1HD1 LEU 62 1.248 -4.977 19.264 494 HD12 LEU 62 2HD1 LEU 62 1.251 -6.749 19.154 495 HD13 LEU 62 3HD1 LEU 62 -0.162 -5.917 19.817 496 HD21 LEU 62 3HD2 LEU 62 -0.284 -3.633 17.679 497 HD22 LEU 62 1HD2 LEU 62 -1.621 -4.569 18.382 498 HD23 LEU 62 2HD2 LEU 62 -1.401 -4.531 16.629 499 H GLU 63 H GLU 63 2.305 -7.618 14.508 500 HA GLU 63 HA GLU 63 4.663 -6.419 13.643 501 HB2 GLU 63 2HB GLU 63 3.329 -8.954 12.601 502 HB3 GLU 63 3HB GLU 63 5.005 -8.493 12.280 503 HG2 GLU 63 2HG GLU 63 5.516 -8.558 14.691 504 HG3 GLU 63 3HG GLU 63 3.839 -8.972 15.056 505 H VAL 64 H VAL 64 1.921 -7.305 11.519 506 HA VAL 64 HA VAL 64 3.093 -6.206 9.108 507 HB VAL 64 HB VAL 64 0.122 -6.643 9.592 508 HG11 VAL 64 1HG1 VAL 64 0.778 -5.448 7.490 509 HG12 VAL 64 2HG1 VAL 64 1.832 -6.805 7.066 510 HG13 VAL 64 3HG1 VAL 64 0.074 -7.036 7.164 511 HG21 VAL 64 3HG2 VAL 64 1.203 -8.758 10.185 512 HG22 VAL 64 1HG2 VAL 64 0.449 -8.911 8.598 513 HG23 VAL 64 2HG2 VAL 64 2.208 -8.687 8.718 514 H LEU 65 H LEU 65 0.749 -4.972 11.485 515 HA LEU 65 HA LEU 65 0.073 -2.540 10.235 516 HB2 LEU 65 2HB LEU 65 -0.755 -3.836 12.455 517 HB3 LEU 65 3HB LEU 65 0.330 -2.703 13.229 518 HG LEU 65 HG LEU 65 -2.263 -2.226 11.761 519 HD11 LEU 65 1HD1 LEU 65 -2.679 -0.870 13.821 520 HD12 LEU 65 2HD1 LEU 65 -1.042 -1.235 14.373 521 HD13 LEU 65 3HD1 LEU 65 -2.226 -2.543 14.199 522 HD21 LEU 65 3HD2 LEU 65 -0.870 -0.540 10.682 523 HD22 LEU 65 1HD2 LEU 65 -0.193 -0.071 12.258 524 HD23 LEU 65 2HD2 LEU 65 -1.904 0.237 11.883 525 H VAL 66 H VAL 66 2.599 -3.068 12.758 526 HA VAL 66 HA VAL 66 3.569 -0.359 12.628 527 HB VAL 66 HB VAL 66 5.288 -0.945 14.136 528 HG11 VAL 66 1HG1 VAL 66 2.668 -2.351 14.807 529 HG12 VAL 66 2HG1 VAL 66 3.919 -1.945 15.969 530 HG13 VAL 66 3HG1 VAL 66 3.082 -0.653 15.083 531 HG21 VAL 66 3HG2 VAL 66 6.158 -3.034 13.296 532 HG22 VAL 66 1HG2 VAL 66 5.637 -3.259 14.967 533 HG23 VAL 66 2HG2 VAL 66 4.633 -3.868 13.639 534 H ALA 67 H ALA 67 4.644 -3.291 10.950 535 HA ALA 67 HA ALA 67 7.006 -2.158 9.774 536 HB1 ALA 67 1HB ALA 67 5.121 -4.329 8.757 537 HB2 ALA 67 2HB ALA 67 6.739 -3.975 8.118 538 HB3 ALA 67 3HB ALA 67 6.557 -4.566 9.781 539 H ASP 68 H ASP 68 3.615 -2.369 8.539 540 HA ASP 68 HA ASP 68 4.100 -0.801 6.190 541 HB2 ASP 68 2HB ASP 68 1.607 -1.594 7.709 542 HB3 ASP 68 3HB ASP 68 1.540 -0.428 6.400 543 H LEU 69 H LEU 69 3.153 0.211 9.488 544 HA LEU 69 HA LEU 69 2.789 2.986 8.941 545 HB2 LEU 69 2HB LEU 69 3.709 1.475 11.391 546 HB3 LEU 69 3HB LEU 69 3.676 3.226 11.383 547 HG LEU 69 HG LEU 69 1.198 1.615 10.704 548 HD11 LEU 69 1HD1 LEU 69 0.520 1.890 13.028 549 HD12 LEU 69 2HD1 LEU 69 2.047 2.718 13.418 550 HD13 LEU 69 3HD1 LEU 69 2.022 1.000 12.977 551 HD21 LEU 69 3HD2 LEU 69 1.632 4.467 11.714 552 HD22 LEU 69 1HD2 LEU 69 0.061 3.709 11.391 553 HD23 LEU 69 2HD2 LEU 69 1.174 4.018 10.057 554 H VAL 70 H VAL 70 5.871 1.466 10.139 555 HA VAL 70 HA VAL 70 7.333 3.899 9.744 556 HB VAL 70 HB VAL 70 9.397 2.686 9.899 557 HG11 VAL 70 1HG1 VAL 70 8.044 3.179 11.950 558 HG12 VAL 70 2HG1 VAL 70 7.437 1.505 11.884 559 HG13 VAL 70 3HG1 VAL 70 9.164 1.816 12.117 560 HG21 VAL 70 3HG2 VAL 70 9.512 0.256 10.234 561 HG22 VAL 70 1HG2 VAL 70 7.789 0.107 9.846 562 HG23 VAL 70 2HG2 VAL 70 8.944 0.644 8.607 563 H ASN 71 H ASN 71 6.673 1.286 7.463 564 HA ASN 71 HA ASN 71 8.305 2.202 5.301 565 HB2 ASN 71 2HB ASN 71 7.329 -0.042 5.413 566 HB3 ASN 71 3HB ASN 71 5.703 0.627 5.330 567 HD21 ASN 71 1HD2 ASN 71 4.809 0.453 3.302 568 HD22 ASN 71 2HD2 ASN 71 5.756 0.517 1.821 569 H ALA 72 H ALA 72 4.790 2.841 5.918 570 HA ALA 72 HA ALA 72 4.409 4.615 3.730 571 HB1 ALA 72 1HB ALA 72 2.951 4.430 6.404 572 HB2 ALA 72 2HB ALA 72 2.346 5.238 4.941 573 HB3 ALA 72 3HB ALA 72 2.589 3.482 4.944 574 H GLN 73 H GLN 73 5.661 5.225 6.967 575 HA GLN 73 HA GLN 73 5.738 8.150 6.564 576 HB2 GLN 73 2HB GLN 73 6.552 6.429 8.938 577 HB3 GLN 73 3HB GLN 73 6.510 8.190 8.914 578 HG2 GLN 73 2HG GLN 73 4.120 6.326 8.664 579 HG3 GLN 73 3HG GLN 73 4.522 7.353 10.025 580 HE21 GLN 73 1HE2 GLN 73 2.182 7.181 7.870 581 HE22 GLN 73 2HE2 GLN 73 1.968 8.903 7.595 582 H LYS 74 H LYS 74 7.752 5.901 5.334 583 HA LYS 74 HA LYS 74 10.389 6.779 6.012 584 HB2 LYS 74 2HB LYS 74 9.214 5.585 3.470 585 HB3 LYS 74 3HB LYS 74 10.897 6.068 3.544 586 HG2 LYS 74 2HG LYS 74 9.653 4.014 5.392 587 HG3 LYS 74 3HG LYS 74 10.561 3.660 3.927 588 HD2 LYS 74 2HD LYS 74 12.544 4.856 4.911 589 HD3 LYS 74 3HD LYS 74 11.639 5.031 6.432 590 HE2 LYS 74 2HE LYS 74 11.408 2.584 6.605 591 HE3 LYS 74 3HE LYS 74 12.253 2.379 5.063 592 HZ1 LYS 74 3HZ LYS 74 13.768 2.080 6.935 593 HZ2 LYS 74 1HZ LYS 74 13.449 3.573 7.510 594 HZ3 LYS 74 2HZ LYS 74 14.223 3.393 6.083 595 H ASP 75 H ASP 75 8.310 7.932 3.394 596 HA ASP 75 HA ASP 75 9.946 10.433 3.196 597 HB2 ASP 75 2HB ASP 75 9.569 10.518 0.866 598 HB3 ASP 75 3HB ASP 75 10.163 8.906 1.227 599 H SER 76 H SER 76 8.793 12.325 2.413 600 HA SER 76 HA SER 76 5.901 12.478 3.129 601 HB2 SER 76 2HB SER 76 8.047 14.363 4.190 602 HB3 SER 76 3HB SER 76 6.307 14.446 4.511 603 HG SER 76 HG SER 76 6.446 12.569 5.716 604 H MET 77 H MET 77 4.760 14.052 2.049 605 HA MET 77 HA MET 77 5.961 15.271 -0.335 606 HB2 MET 77 2HB MET 77 3.184 15.382 0.898 607 HB3 MET 77 3HB MET 77 3.622 16.258 -0.569 608 HG2 MET 77 2HG MET 77 3.842 13.236 -0.271 609 HG3 MET 77 3HG MET 77 2.482 14.097 -0.977 610 HE1 MET 77 3HE MET 77 6.389 13.408 -1.367 611 HE2 MET 77 1HE MET 77 5.397 12.027 -1.885 612 HE3 MET 77 2HE MET 77 6.351 12.935 -3.076 613 H GLN 78 H GLN 78 5.389 16.399 2.932 614 HA GLN 78 HA GLN 78 5.451 19.218 2.324 615 HB2 GLN 78 2HB GLN 78 5.727 19.602 4.647 616 HB3 GLN 78 3HB GLN 78 4.554 18.308 4.425 617 HG2 GLN 78 2HG GLN 78 6.394 16.653 4.973 618 HG3 GLN 78 3HG GLN 78 7.446 18.014 5.370 619 HE21 GLN 78 1HE2 GLN 78 6.558 15.882 7.233 620 HE22 GLN 78 2HE2 GLN 78 5.549 16.724 8.424 621 H ASP 79 H ASP 79 7.097 20.655 2.156 622 HA ASP 79 HA ASP 79 9.822 19.754 1.650 623 HB2 ASP 79 2HB ASP 79 8.691 21.703 0.535 624 HB3 ASP 79 3HB ASP 79 8.716 22.560 2.078 625 H GLU 80 H GLU 80 11.701 20.449 2.900 626 HA GLU 80 HA GLU 80 11.381 20.159 5.796 627 HB2 GLU 80 2HB GLU 80 13.770 20.345 5.927 628 HB3 GLU 80 3HB GLU 80 13.325 19.233 4.637 629 HG2 GLU 80 2HG GLU 80 13.741 21.059 2.962 630 HG3 GLU 80 3HG GLU 80 14.263 22.114 4.280 631 H SER 81 H SER 81 12.214 21.730 7.382 632 HA SER 81 HA SER 81 11.950 24.589 6.603 633 HB2 SER 81 2HB SER 81 9.690 23.629 7.243 634 HB3 SER 81 3HB SER 81 10.342 23.361 8.870 635 HG SER 81 HG SER 81 9.242 25.387 8.641 636 H SER 82 H SER 82 12.601 26.056 8.252 637 HA SER 82 HA SER 82 15.027 25.241 9.702 638 HB2 SER 82 2HB SER 82 13.531 27.894 9.560 639 HB3 SER 82 3HB SER 82 15.063 27.637 10.414 640 HG SER 82 HG SER 82 14.601 27.254 7.617 641 H GLN 83 H GLN 83 15.277 24.948 11.852 642 HA GLN 83 HA GLN 83 13.115 25.610 13.761 643 HB2 GLN 83 2HB GLN 83 12.981 23.152 12.833 644 HB3 GLN 83 3HB GLN 83 14.421 22.867 13.800 645 HG2 GLN 83 2HG GLN 83 12.562 22.189 15.129 646 HG3 GLN 83 3HG GLN 83 13.102 23.709 15.825 647 HE21 GLN 83 1HE2 GLN 83 11.325 25.085 16.342 648 HE22 GLN 83 2HE2 GLN 83 9.833 25.067 15.413 649 H THR 84 H THR 84 13.894 26.184 15.775 650 HA THR 84 HA THR 84 16.847 26.524 15.992 651 HB THR 84 HB THR 84 14.758 27.888 17.712 652 HG1 THR 84 1HG THR 84 14.353 28.481 15.598 653 HG21 THR 84 3HG2 THR 84 17.597 28.683 16.900 654 HG22 THR 84 1HG2 THR 84 17.191 27.913 18.443 655 HG23 THR 84 2HG2 THR 84 16.537 29.515 18.060 656 H SER 85 H SER 85 17.518 24.534 16.713 657 HA SER 85 HA SER 85 16.355 23.190 19.028 658 HB2 SER 85 2HB SER 85 17.473 22.031 17.098 659 HB3 SER 85 3HB SER 85 19.025 22.640 17.688 660 HG SER 85 HG SER 85 17.203 20.829 18.925 661 H LEU 86 H LEU 86 16.406 24.838 20.587 662 HA LEU 86 HA LEU 86 18.873 26.039 21.573 663 HB2 LEU 86 2HB LEU 86 16.025 26.018 22.651 664 HB3 LEU 86 3HB LEU 86 17.340 26.962 23.346 665 HG LEU 86 HG LEU 86 16.280 27.310 20.514 666 HD11 LEU 86 1HD1 LEU 86 15.874 29.009 23.004 667 HD12 LEU 86 2HD1 LEU 86 14.646 27.986 22.224 668 HD13 LEU 86 3HD1 LEU 86 15.298 29.389 21.364 669 HD21 LEU 86 3HD2 LEU 86 18.625 28.026 20.659 670 HD22 LEU 86 1HD2 LEU 86 18.276 28.947 22.143 671 HD23 LEU 86 2HD2 LEU 86 17.577 29.443 20.588 672 H GLN 87 H GLN 87 19.910 23.869 21.801 673 HA GLN 87 HA GLN 87 19.418 22.302 24.188 674 HB2 GLN 87 2HB GLN 87 21.633 21.333 23.785 675 HB3 GLN 87 3HB GLN 87 20.580 21.290 22.376 676 HG2 GLN 87 2HG GLN 87 21.820 23.166 21.348 677 HG3 GLN 87 3HG GLN 87 22.854 23.287 22.772 678 HE21 GLN 87 1HE2 GLN 87 24.756 22.050 22.783 679 HE22 GLN 87 2HE2 GLN 87 25.032 20.744 21.634 680 H LYS 88 H LYS 88 19.839 22.717 26.231 681 HA LYS 88 HA LYS 88 22.242 24.103 27.105 682 HB2 LYS 88 2HB LYS 88 21.137 25.784 28.520 683 HB3 LYS 88 3HB LYS 88 20.877 26.041 26.814 684 HG2 LYS 88 2HG LYS 88 18.849 26.578 27.729 685 HG3 LYS 88 3HG LYS 88 18.555 24.960 27.105 686 HD2 LYS 88 2HD LYS 88 18.693 24.027 29.378 687 HD3 LYS 88 3HD LYS 88 19.227 25.602 30.014 688 HE2 LYS 88 2HE LYS 88 17.077 26.612 29.278 689 HE3 LYS 88 3HE LYS 88 16.536 25.034 28.692 690 HZ1 LYS 88 3HZ LYS 88 15.704 25.536 30.936 691 HZ2 LYS 88 1HZ LYS 88 17.224 25.640 31.522 692 HZ3 LYS 88 2HZ LYS 88 16.650 24.208 30.967 693 H GLU 89 H GLU 89 22.532 24.013 29.457 694 HA GLU 89 HA GLU 89 21.711 21.351 30.479 695 HB2 GLU 89 2HB GLU 89 23.722 23.386 31.523 696 HB3 GLU 89 3HB GLU 89 23.417 21.789 32.222 697 HG2 GLU 89 2HG GLU 89 24.032 20.745 30.021 698 HG3 GLU 89 3HG GLU 89 24.488 22.340 29.421 699 H ILE 90 H ILE 90 21.098 21.080 32.750 700 HA ILE 90 HA ILE 90 18.956 23.018 33.458 701 HB ILE 90 HB ILE 90 19.346 20.119 34.259 702 HG12 ILE 90 2HG1 ILE 90 18.807 20.255 31.881 703 HG13 ILE 90 3HG1 ILE 90 17.492 19.567 32.813 704 HG21 ILE 90 1HG2 ILE 90 16.962 20.311 35.042 705 HG22 ILE 90 2HG2 ILE 90 18.107 21.252 35.989 706 HG23 ILE 90 3HG2 ILE 90 17.068 22.068 34.810 707 HD11 ILE 90 3HD1 ILE 90 16.217 21.681 32.638 708 HD12 ILE 90 1HD1 ILE 90 17.568 22.417 31.735 709 HD13 ILE 90 2HD1 ILE 90 16.672 21.051 31.050 710 H SER 91 H SER 91 19.664 24.529 34.798 711 HA SER 91 HA SER 91 21.565 24.049 36.972 712 HB2 SER 91 2HB SER 91 19.780 26.443 36.380 713 HB3 SER 91 3HB SER 91 21.055 26.387 37.608 714 HG SER 91 HG SER 91 21.402 26.052 34.790 715 H THR 92 H THR 92 18.040 23.848 36.782 716 HA THR 92 HA THR 92 17.496 24.379 39.545 717 HB THR 92 HB THR 92 15.341 23.159 39.135 718 HG1 THR 92 1HG THR 92 14.915 22.586 37.006 719 HG21 THR 92 3HG2 THR 92 14.428 24.846 37.619 720 HG22 THR 92 1HG2 THR 92 16.060 25.289 37.071 721 HG23 THR 92 2HG2 THR 92 15.563 25.602 38.749 722 H GLU 93 H GLU 93 18.370 21.382 37.875 723 HA GLU 93 HA GLU 93 17.983 19.541 40.031 724 HB2 GLU 93 2HB GLU 93 19.994 19.607 37.749 725 HB3 GLU 93 3HB GLU 93 19.887 18.269 38.907 726 HG2 GLU 93 2HG GLU 93 17.561 17.847 38.299 727 HG3 GLU 93 3HG GLU 93 17.557 19.221 37.197 728 H GLU 94 H GLU 94 20.787 21.636 39.300 729 HA GLU 94 HA GLU 94 22.441 20.691 41.456 730 HB2 GLU 94 2HB GLU 94 22.500 23.341 39.954 731 HB3 GLU 94 3HB GLU 94 23.732 22.776 41.086 732 HG2 GLU 94 2HG GLU 94 24.118 20.771 39.650 733 HG3 GLU 94 3HG GLU 94 22.939 21.389 38.489 734 H GLN 95 H GLN 95 20.315 23.617 41.286 735 HA GLN 95 HA GLN 95 20.937 24.388 43.986 736 HB2 GLN 95 2HB GLN 95 19.362 26.094 43.801 737 HB3 GLN 95 3HB GLN 95 20.049 25.892 42.192 738 HG2 GLN 95 2HG GLN 95 17.980 24.491 41.634 739 HG3 GLN 95 3HG GLN 95 17.315 24.980 43.186 740 HE21 GLN 95 1HE2 GLN 95 15.561 26.272 42.451 741 HE22 GLN 95 2HE2 GLN 95 15.833 27.687 41.440 742 H LEU 96 H LEU 96 18.300 22.332 42.714 743 HA LEU 96 HA LEU 96 16.976 21.951 45.251 744 HB2 LEU 96 2HB LEU 96 17.045 20.281 42.717 745 HB3 LEU 96 3HB LEU 96 16.037 19.897 44.108 746 HG LEU 96 HG LEU 96 15.836 22.516 42.551 747 HD11 LEU 96 1HD1 LEU 96 14.065 20.039 42.465 748 HD12 LEU 96 2HD1 LEU 96 15.183 20.561 41.183 749 HD13 LEU 96 3HD1 LEU 96 13.787 21.567 41.597 750 HD21 LEU 96 3HD2 LEU 96 13.654 22.726 43.686 751 HD22 LEU 96 1HD2 LEU 96 15.005 22.802 44.814 752 HD23 LEU 96 2HD2 LEU 96 14.042 21.309 44.689 753 H ARG 97 H ARG 97 19.595 20.130 43.637 754 HA ARG 97 HA ARG 97 19.923 18.148 45.695 755 HB2 ARG 97 2HB ARG 97 20.749 18.032 43.327 756 HB3 ARG 97 3HB ARG 97 22.015 19.196 43.743 757 HG2 ARG 97 2HG ARG 97 22.945 17.549 45.386 758 HG3 ARG 97 3HG ARG 97 21.610 16.447 45.016 759 HD2 ARG 97 2HD ARG 97 23.534 15.702 43.803 760 HD3 ARG 97 3HD ARG 97 22.394 16.386 42.633 761 HE ARG 97 HE ARG 97 24.351 18.333 43.587 762 HH11 ARG 97 1HH1 ARG 97 24.011 15.761 41.252 763 HH12 ARG 97 2HH1 ARG 97 25.268 16.395 40.225 764 HH21 ARG 97 1HH2 ARG 97 25.940 19.100 42.255 765 HH22 ARG 97 2HH2 ARG 97 26.332 18.244 40.793 766 H ARG 98 H ARG 98 20.895 21.480 45.688 767 HA ARG 98 HA ARG 98 22.762 21.160 47.937 768 HB2 ARG 98 2HB ARG 98 22.844 23.085 46.263 769 HB3 ARG 98 3HB ARG 98 21.392 23.727 47.026 770 HG2 ARG 98 2HG ARG 98 23.293 24.883 47.923 771 HG3 ARG 98 3HG ARG 98 22.637 23.865 49.208 772 HD2 ARG 98 2HD ARG 98 24.412 22.170 48.745 773 HD3 ARG 98 3HD ARG 98 25.046 23.208 47.453 774 HE ARG 98 HE ARG 98 24.976 24.749 49.829 775 HH11 ARG 98 1HH1 ARG 98 26.731 21.960 48.666 776 HH12 ARG 98 2HH1 ARG 98 28.094 22.256 49.712 777 HH21 ARG 98 1HH2 ARG 98 26.736 25.081 51.146 778 HH22 ARG 98 2HH2 ARG 98 28.086 23.987 51.076 779 H LEU 99 H LEU 99 19.448 22.456 47.664 780 HA LEU 99 HA LEU 99 19.195 22.715 50.539 781 HB2 LEU 99 2HB LEU 99 16.942 23.548 50.107 782 HB3 LEU 99 3HB LEU 99 18.204 24.324 49.184 783 HG LEU 99 HG LEU 99 17.439 22.639 47.264 784 HD11 LEU 99 1HD1 LEU 99 15.711 21.407 48.468 785 HD12 LEU 99 2HD1 LEU 99 14.956 22.411 47.250 786 HD13 LEU 99 3HD1 LEU 99 14.914 22.923 48.946 787 HD21 LEU 99 3HD2 LEU 99 15.872 25.123 48.052 788 HD22 LEU 99 1HD2 LEU 99 15.936 24.398 46.428 789 HD23 LEU 99 2HD2 LEU 99 17.398 25.090 47.135 790 H GLN 100 H GLN 100 17.988 20.228 48.326 791 HA GLN 100 HA GLN 100 16.885 18.279 48.623 792 HB2 GLN 100 2HB GLN 100 18.826 18.167 50.953 793 HB3 GLN 100 3HB GLN 100 17.987 16.761 50.280 794 HG2 GLN 100 2HG GLN 100 19.010 17.130 48.085 795 HG3 GLN 100 3HG GLN 100 19.855 18.552 48.699 796 HE21 GLN 100 1HE2 GLN 100 20.488 15.420 47.876 797 HE22 GLN 100 2HE2 GLN 100 21.758 15.109 49.055 798 H GLU 101 H GLU 101 15.453 20.471 50.019 799 HA GLU 101 HA GLU 101 13.887 18.922 52.045 800 HB2 GLU 101 2HB GLU 101 15.356 21.034 52.694 801 HB3 GLU 101 3HB GLU 101 14.064 21.937 51.921 802 HG2 GLU 101 2HG GLU 101 13.451 21.976 54.145 803 HG3 GLU 101 3HG GLU 101 12.480 20.632 53.573 804 H GLU 102 H GLU 102 11.585 19.546 52.195 805 HA GLU 102 HA GLU 102 10.252 19.682 49.619 806 HB2 GLU 102 2HB GLU 102 9.267 19.664 52.493 807 HB3 GLU 102 3HB GLU 102 8.188 19.866 51.115 808 HG2 GLU 102 2HG GLU 102 8.155 17.565 51.742 809 HG3 GLU 102 3HG GLU 102 8.892 17.731 50.155 810 H LYS 103 H LYS 103 10.798 21.571 48.618 811 HA LYS 103 HA LYS 103 10.205 24.240 49.555 812 HB2 LYS 103 2HB LYS 103 10.433 24.889 47.226 813 HB3 LYS 103 3HB LYS 103 11.725 23.789 47.680 814 HG2 LYS 103 2HG LYS 103 10.709 21.940 46.509 815 HG3 LYS 103 3HG LYS 103 9.220 22.834 46.208 816 HD2 LYS 103 2HD LYS 103 11.946 23.635 45.121 817 HD3 LYS 103 3HD LYS 103 10.806 22.629 44.236 818 HE2 LYS 103 2HE LYS 103 10.247 25.485 45.168 819 HE3 LYS 103 3HE LYS 103 10.801 25.031 43.557 820 HZ1 LYS 103 3HZ LYS 103 8.182 24.280 44.769 821 HZ2 LYS 103 1HZ LYS 103 8.743 23.669 43.350 822 HZ3 LYS 103 2HZ LYS 103 8.439 25.263 43.502 823 H LEU 104 H LEU 104 8.641 25.620 48.278 824 HA LEU 104 HA LEU 104 5.921 25.046 48.867 825 HB2 LEU 104 2HB LEU 104 7.111 27.334 48.448 826 HB3 LEU 104 3HB LEU 104 6.924 26.972 46.735 827 HG LEU 104 HG LEU 104 4.394 26.778 47.190 828 HD11 LEU 104 1HD1 LEU 104 3.570 27.939 49.204 829 HD12 LEU 104 2HD1 LEU 104 5.238 28.150 49.786 830 HD13 LEU 104 3HD1 LEU 104 4.533 26.530 49.650 831 HD21 LEU 104 3HD2 LEU 104 4.104 29.224 47.118 832 HD22 LEU 104 1HD2 LEU 104 5.410 28.684 46.057 833 HD23 LEU 104 2HD2 LEU 104 5.799 29.448 47.613 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 28.435 -0.640 -7.357 2 H2 GLY 1 2H GLY 1 28.298 -1.658 -8.630 3 H3 GLY 1 3H GLY 1 28.440 -2.261 -7.113 4 HA2 GLY 1 2HA GLY 1 26.123 -1.016 -8.392 5 HA3 GLY 1 3HA GLY 1 26.195 -2.525 -7.474 6 H SER 2 H SER 2 26.038 0.961 -7.345 7 HA SER 2 HA SER 2 24.968 0.943 -4.574 8 HB2 SER 2 2HB SER 2 27.080 2.898 -5.588 9 HB3 SER 2 3HB SER 2 26.217 3.007 -4.048 10 HG SER 2 HG SER 2 28.109 1.058 -4.870 11 H ALA 3 H ALA 3 23.916 3.128 -4.118 12 HA ALA 3 HA ALA 3 22.594 4.271 -6.549 13 HB1 ALA 3 1HB ALA 3 21.118 2.716 -5.308 14 HB2 ALA 3 2HB ALA 3 21.352 3.681 -3.829 15 HB3 ALA 3 3HB ALA 3 20.527 4.386 -5.239 16 H MET 4 H MET 4 21.645 6.405 -6.208 17 HA MET 4 HA MET 4 23.592 8.297 -5.352 18 HB2 MET 4 2HB MET 4 22.044 8.663 -7.213 19 HB3 MET 4 3HB MET 4 20.662 8.643 -6.113 20 HG2 MET 4 2HG MET 4 21.223 10.916 -6.757 21 HG3 MET 4 3HG MET 4 21.450 10.694 -5.030 22 HE1 MET 4 3HE MET 4 22.508 13.244 -6.533 23 HE2 MET 4 1HE MET 4 22.730 12.918 -4.799 24 HE3 MET 4 2HE MET 4 24.119 13.401 -5.796 25 H ALA 5 H ALA 5 20.509 7.365 -3.822 26 HA ALA 5 HA ALA 5 21.153 9.066 -1.443 27 HB1 ALA 5 1HB ALA 5 18.744 9.501 -1.286 28 HB2 ALA 5 2HB ALA 5 19.391 10.012 -2.859 29 HB3 ALA 5 3HB ALA 5 18.453 8.502 -2.731 30 H ASP 6 H ASP 6 22.251 6.726 -1.197 31 HA ASP 6 HA ASP 6 20.687 4.546 -0.251 32 HB2 ASP 6 2HB ASP 6 22.735 3.568 0.424 33 HB3 ASP 6 3HB ASP 6 23.053 4.454 -1.061 34 H ILE 7 H ILE 7 21.568 7.447 1.418 35 HA ILE 7 HA ILE 7 21.286 6.510 4.123 36 HB ILE 7 HB ILE 7 22.554 8.511 3.473 37 HG12 ILE 7 2HG1 ILE 7 21.907 10.067 5.219 38 HG13 ILE 7 3HG1 ILE 7 20.335 9.305 5.399 39 HG21 ILE 7 1HG2 ILE 7 21.462 10.635 2.926 40 HG22 ILE 7 2HG2 ILE 7 21.069 9.421 1.709 41 HG23 ILE 7 3HG2 ILE 7 19.869 9.861 2.944 42 HD11 ILE 7 3HD1 ILE 7 21.940 8.648 7.173 43 HD12 ILE 7 1HD1 ILE 7 21.422 7.238 6.238 44 HD13 ILE 7 2HD1 ILE 7 23.024 7.962 5.946 45 H GLY 8 H GLY 8 18.880 7.201 1.728 46 HA2 GLY 8 2HA GLY 8 16.555 7.160 1.812 47 HA3 GLY 8 3HA GLY 8 16.657 6.554 3.464 48 H SER 9 H SER 9 15.533 7.841 4.785 49 HA SER 9 HA SER 9 15.829 10.813 4.694 50 HB2 SER 9 2HB SER 9 13.206 9.319 5.110 51 HB3 SER 9 3HB SER 9 13.436 11.071 5.184 52 HG SER 9 HG SER 9 14.252 10.870 2.963 53 H GLU 10 H GLU 10 15.166 11.872 6.691 54 HA GLU 10 HA GLU 10 15.245 10.169 9.154 55 HB2 GLU 10 2HB GLU 10 16.775 11.682 10.242 56 HB3 GLU 10 3HB GLU 10 17.490 11.004 8.789 57 HG2 GLU 10 2HG GLU 10 17.152 13.098 7.567 58 HG3 GLU 10 3HG GLU 10 16.277 13.800 8.929 59 H PHE 11 H PHE 11 13.003 11.433 7.757 60 HA PHE 11 HA PHE 11 11.970 13.266 9.886 61 HB2 PHE 11 2HB PHE 11 12.552 14.348 7.707 62 HB3 PHE 11 3HB PHE 11 11.329 13.365 6.923 63 HD1 PHE 11 1HD PHE 11 11.813 15.776 9.769 64 HD2 PHE 11 2HD PHE 11 9.101 14.231 6.789 65 HE1 PHE 11 1HE PHE 11 10.167 17.540 10.353 66 HE2 PHE 11 2HE PHE 11 7.464 16.010 7.362 67 HZ PHE 11 HZ PHE 11 7.997 17.670 9.141 68 H GLU 12 H GLU 12 10.854 11.827 11.115 69 HA GLU 12 HA GLU 12 8.826 10.029 9.875 70 HB2 GLU 12 2HB GLU 12 9.943 10.143 12.704 71 HB3 GLU 12 3HB GLU 12 8.672 9.055 12.151 72 HG2 GLU 12 2HG GLU 12 10.588 7.749 12.104 73 HG3 GLU 12 3HG GLU 12 10.237 8.128 10.424 74 H LYS 13 H LYS 13 7.879 12.347 9.376 75 HA LYS 13 HA LYS 13 5.509 12.644 11.153 76 HB2 LYS 13 2HB LYS 13 7.206 14.991 10.206 77 HB3 LYS 13 3HB LYS 13 5.605 15.131 10.930 78 HG2 LYS 13 2HG LYS 13 6.487 14.057 13.017 79 HG3 LYS 13 3HG LYS 13 8.112 14.080 12.297 80 HD2 LYS 13 2HD LYS 13 7.980 16.562 12.093 81 HD3 LYS 13 3HD LYS 13 6.350 16.524 12.771 82 HE2 LYS 13 2HE LYS 13 7.793 17.171 14.541 83 HE3 LYS 13 3HE LYS 13 7.265 15.522 14.877 84 HZ1 LYS 13 3HZ LYS 13 9.657 15.818 15.240 85 HZ2 LYS 13 1HZ LYS 13 9.892 16.265 13.691 86 HZ3 LYS 13 2HZ LYS 13 9.422 14.737 14.044 87 H THR 14 H THR 14 3.745 13.809 10.121 88 HA THR 14 HA THR 14 3.515 13.289 7.204 89 HB THR 14 HB THR 14 1.034 13.785 7.733 90 HG1 THR 14 1HG THR 14 1.134 14.721 9.711 91 HG21 THR 14 3HG2 THR 14 2.412 11.400 9.030 92 HG22 THR 14 1HG2 THR 14 1.855 11.522 7.342 93 HG23 THR 14 2HG2 THR 14 0.677 11.523 8.667 94 HA PRO 15 HA PRO 15 3.344 17.623 6.193 95 HB2 PRO 15 2HB PRO 15 1.567 17.739 4.104 96 HB3 PRO 15 3HB PRO 15 3.205 17.033 3.984 97 HG2 PRO 15 2HG PRO 15 0.581 15.577 4.413 98 HG3 PRO 15 3HG PRO 15 1.897 15.181 3.263 99 HD2 PRO 15 2HD PRO 15 1.661 13.933 5.666 100 HD3 PRO 15 3HD PRO 15 3.262 14.316 4.974 101 H SER 16 H SER 16 0.050 16.144 6.447 102 HA SER 16 HA SER 16 -1.168 18.645 7.383 103 HB2 SER 16 2HB SER 16 -3.206 17.177 7.580 104 HB3 SER 16 3HB SER 16 -2.507 17.318 5.962 105 HG SER 16 HG SER 16 -2.960 15.190 6.310 106 H LEU 17 H LEU 17 -2.294 18.824 9.370 107 HA LEU 17 HA LEU 17 -0.828 17.863 11.711 108 HB2 LEU 17 2HB LEU 17 -3.319 19.596 11.392 109 HB3 LEU 17 3HB LEU 17 -2.566 19.226 12.940 110 HG LEU 17 HG LEU 17 -1.223 20.753 10.668 111 HD11 LEU 17 1HD1 LEU 17 -1.558 22.717 12.120 112 HD12 LEU 17 2HD1 LEU 17 -2.424 21.709 13.304 113 HD13 LEU 17 3HD1 LEU 17 -3.109 21.981 11.686 114 HD21 LEU 17 3HD2 LEU 17 0.432 21.375 12.426 115 HD22 LEU 17 1HD2 LEU 17 0.453 19.644 12.083 116 HD23 LEU 17 2HD2 LEU 17 -0.353 20.246 13.551 117 H THR 18 H THR 18 -4.349 17.919 11.390 118 HA THR 18 HA THR 18 -4.670 15.065 12.096 119 HB THR 18 HB THR 18 -6.098 17.136 13.776 120 HG1 THR 18 1HG THR 18 -4.519 16.856 15.362 121 HG21 THR 18 3HG2 THR 18 -6.089 15.280 15.453 122 HG22 THR 18 1HG2 THR 18 -5.247 14.241 14.284 123 HG23 THR 18 2HG2 THR 18 -6.902 14.808 13.967 124 H ARG 19 H ARG 19 -6.891 14.378 11.897 125 HA ARG 19 HA ARG 19 -8.767 16.116 10.339 126 HB2 ARG 19 2HB ARG 19 -7.679 13.369 9.714 127 HB3 ARG 19 3HB ARG 19 -9.366 13.648 9.337 128 HG2 ARG 19 2HG ARG 19 -7.112 15.411 8.296 129 HG3 ARG 19 3HG ARG 19 -7.809 14.031 7.438 130 HD2 ARG 19 2HD ARG 19 -10.098 15.178 7.677 131 HD3 ARG 19 3HD ARG 19 -9.227 16.605 8.230 132 HE ARG 19 HE ARG 19 -8.453 17.010 6.073 133 HH11 ARG 19 1HH1 ARG 19 -10.004 13.866 6.011 134 HH12 ARG 19 2HH1 ARG 19 -10.079 13.844 4.273 135 HH21 ARG 19 1HH2 ARG 19 -8.590 16.918 3.872 136 HH22 ARG 19 2HH2 ARG 19 -9.293 15.526 3.102 137 H ARG 20 H ARG 20 -10.968 14.889 10.280 138 HA ARG 20 HA ARG 20 -12.213 14.749 12.815 139 HB2 ARG 20 2HB ARG 20 -14.068 13.624 11.658 140 HB3 ARG 20 3HB ARG 20 -13.474 14.998 10.733 141 HG2 ARG 20 2HG ARG 20 -12.272 13.533 9.192 142 HG3 ARG 20 3HG ARG 20 -12.662 12.102 10.149 143 HD2 ARG 20 2HD ARG 20 -14.773 13.869 8.858 144 HD3 ARG 20 3HD ARG 20 -14.026 12.474 8.058 145 HE ARG 20 HE ARG 20 -15.031 11.670 10.624 146 HH11 ARG 20 1HH1 ARG 20 -16.194 12.378 7.403 147 HH12 ARG 20 2HH1 ARG 20 -17.585 11.342 7.574 148 HH21 ARG 20 1HH2 ARG 20 -16.842 10.411 10.807 149 HH22 ARG 20 2HH2 ARG 20 -17.939 10.268 9.466 150 H ILE 21 H ILE 21 -13.201 12.970 13.905 151 HA ILE 21 HA ILE 21 -11.441 10.855 14.665 152 HB ILE 21 HB ILE 21 -13.242 9.943 15.943 153 HG12 ILE 21 2HG1 ILE 21 -15.165 11.765 14.429 154 HG13 ILE 21 3HG1 ILE 21 -15.053 10.011 14.273 155 HG21 ILE 21 1HG2 ILE 21 -13.549 12.969 16.068 156 HG22 ILE 21 2HG2 ILE 21 -13.721 11.793 17.385 157 HG23 ILE 21 3HG2 ILE 21 -12.130 12.083 16.677 158 HD11 ILE 21 3HD1 ILE 21 -16.922 10.480 15.671 159 HD12 ILE 21 1HD1 ILE 21 -15.655 9.777 16.694 160 HD13 ILE 21 2HD1 ILE 21 -15.971 11.532 16.731 161 H ASP 22 H ASP 22 -11.871 8.521 14.521 162 HA ASP 22 HA ASP 22 -13.202 7.626 12.019 163 HB2 ASP 22 2HB ASP 22 -10.698 8.034 11.747 164 HB3 ASP 22 3HB ASP 22 -10.432 6.687 12.848 165 H ASP 23 H ASP 23 -14.608 6.067 12.518 166 HA ASP 23 HA ASP 23 -14.983 5.039 15.104 167 HB2 ASP 23 2HB ASP 23 -15.848 3.843 12.442 168 HB3 ASP 23 3HB ASP 23 -16.479 3.368 14.018 169 H THR 24 H THR 24 -12.972 3.705 12.530 170 HA THR 24 HA THR 24 -12.416 1.136 13.454 171 HB THR 24 HB THR 24 -10.384 2.957 12.160 172 HG1 THR 24 1HG THR 24 -11.464 2.825 10.387 173 HG21 THR 24 3HG2 THR 24 -9.404 0.825 12.664 174 HG22 THR 24 1HG2 THR 24 -9.820 0.802 10.943 175 HG23 THR 24 2HG2 THR 24 -10.853 -0.051 12.106 176 H ILE 25 H ILE 25 -11.221 4.169 14.807 177 HA ILE 25 HA ILE 25 -9.043 3.187 16.400 178 HB ILE 25 HB ILE 25 -11.029 5.448 16.868 179 HG12 ILE 25 2HG1 ILE 25 -8.096 5.672 16.069 180 HG13 ILE 25 3HG1 ILE 25 -9.377 5.561 14.870 181 HG21 ILE 25 1HG2 ILE 25 -8.536 4.689 18.435 182 HG22 ILE 25 2HG2 ILE 25 -9.314 6.285 18.552 183 HG23 ILE 25 3HG2 ILE 25 -10.195 4.855 19.047 184 HD11 ILE 25 3HD1 ILE 25 -9.059 7.775 16.939 185 HD12 ILE 25 1HD1 ILE 25 -8.759 7.875 15.199 186 HD13 ILE 25 2HD1 ILE 25 -10.413 7.626 15.795 187 H PHE 26 H PHE 26 -12.543 3.298 16.993 188 HA PHE 26 HA PHE 26 -12.305 1.981 19.620 189 HB2 PHE 26 2HB PHE 26 -14.102 3.794 18.489 190 HB3 PHE 26 3HB PHE 26 -15.004 2.298 18.442 191 HD1 PHE 26 2HD PHE 26 -14.201 0.929 20.986 192 HD2 PHE 26 1HD PHE 26 -15.001 5.100 20.185 193 HE1 PHE 26 2HE PHE 26 -14.782 1.280 23.362 194 HE2 PHE 26 1HE PHE 26 -15.600 5.434 22.566 195 HZ PHE 26 HZ PHE 26 -15.486 3.529 24.163 196 H GLN 27 H GLN 27 -13.526 1.219 16.350 197 HA GLN 27 HA GLN 27 -14.628 -1.337 16.988 198 HB2 GLN 27 2HB GLN 27 -13.598 -0.384 14.296 199 HB3 GLN 27 3HB GLN 27 -14.671 -1.732 14.563 200 HG2 GLN 27 2HG GLN 27 -15.873 0.622 15.787 201 HG3 GLN 27 3HG GLN 27 -15.315 1.031 14.169 202 HE21 GLN 27 1HE2 GLN 27 -17.155 1.048 12.880 203 HE22 GLN 27 2HE2 GLN 27 -18.310 -0.278 12.865 204 H ASN 28 H ASN 28 -11.276 -0.479 16.273 205 HA ASN 28 HA ASN 28 -10.543 -3.365 16.354 206 HB2 ASN 28 2HB ASN 28 -10.583 -2.343 14.044 207 HB3 ASN 28 3HB ASN 28 -9.240 -1.312 14.547 208 HD21 ASN 28 1HD2 ASN 28 -7.260 -2.200 13.944 209 HD22 ASN 28 2HD2 ASN 28 -6.987 -3.940 13.847 210 HA PRO 29 HA PRO 29 -8.392 -1.422 19.803 211 HB2 PRO 29 2HB PRO 29 -7.546 -3.652 21.163 212 HB3 PRO 29 3HB PRO 29 -9.246 -3.095 21.129 213 HG2 PRO 29 2HG PRO 29 -7.948 -5.206 19.375 214 HG3 PRO 29 3HG PRO 29 -9.473 -5.335 20.312 215 HD2 PRO 29 2HD PRO 29 -9.484 -4.726 17.676 216 HD3 PRO 29 3HD PRO 29 -10.626 -3.918 18.797 217 H MET 30 H MET 30 -6.838 -3.349 17.403 218 HA MET 30 HA MET 30 -4.098 -3.203 18.214 219 HB2 MET 30 2HB MET 30 -5.271 -3.061 15.410 220 HB3 MET 30 3HB MET 30 -3.592 -3.408 15.815 221 HG2 MET 30 2HG MET 30 -4.143 -5.501 16.832 222 HG3 MET 30 3HG MET 30 -5.870 -5.156 16.789 223 HE1 MET 30 3HE MET 30 -3.364 -6.165 13.018 224 HE2 MET 30 1HE MET 30 -3.466 -4.481 13.562 225 HE3 MET 30 2HE MET 30 -2.695 -5.705 14.601 226 H VAL 31 H VAL 31 -6.263 -0.690 17.018 227 HA VAL 31 HA VAL 31 -4.285 1.206 16.216 228 HB VAL 31 HB VAL 31 -7.083 1.683 17.311 229 HG11 VAL 31 1HG1 VAL 31 -5.087 3.624 16.079 230 HG12 VAL 31 2HG1 VAL 31 -6.814 3.940 16.221 231 HG13 VAL 31 3HG1 VAL 31 -5.850 3.727 17.675 232 HG21 VAL 31 3HG2 VAL 31 -7.400 2.281 14.783 233 HG22 VAL 31 1HG2 VAL 31 -5.892 1.378 14.532 234 HG23 VAL 31 2HG2 VAL 31 -7.310 0.573 15.232 235 H GLN 32 H GLN 32 -5.942 0.941 19.387 236 HA GLN 32 HA GLN 32 -4.545 2.953 20.770 237 HB2 GLN 32 2HB GLN 32 -5.624 0.281 21.755 238 HB3 GLN 32 3HB GLN 32 -5.083 1.563 22.826 239 HG2 GLN 32 2HG GLN 32 -7.343 1.870 20.792 240 HG3 GLN 32 3HG GLN 32 -7.578 1.442 22.480 241 HE21 GLN 32 1HE2 GLN 32 -8.679 3.806 21.133 242 HE22 GLN 32 2HE2 GLN 32 -8.010 5.162 22.033 243 H GLU 33 H GLU 33 -3.615 -0.460 20.407 244 HA GLU 33 HA GLU 33 -1.196 -0.387 21.922 245 HB2 GLU 33 2HB GLU 33 -2.392 -2.441 21.346 246 HB3 GLU 33 3HB GLU 33 -2.110 -2.165 19.636 247 HG2 GLU 33 2HG GLU 33 -0.636 -3.894 20.509 248 HG3 GLU 33 3HG GLU 33 0.278 -2.528 19.890 249 H ALA 34 H ALA 34 -1.746 0.410 18.459 250 HA ALA 34 HA ALA 34 1.054 0.663 17.816 251 HB1 ALA 34 1HB ALA 34 -0.709 0.341 16.122 252 HB2 ALA 34 2HB ALA 34 -1.354 1.956 16.479 253 HB3 ALA 34 3HB ALA 34 0.280 1.775 15.803 254 H ILE 35 H ILE 35 -1.390 3.219 18.661 255 HA ILE 35 HA ILE 35 0.495 5.372 18.774 256 HB ILE 35 HB ILE 35 -2.102 5.014 20.311 257 HG12 ILE 35 2HG1 ILE 35 -2.393 7.179 18.599 258 HG13 ILE 35 3HG1 ILE 35 -1.321 6.176 17.649 259 HG21 ILE 35 1HG2 ILE 35 -0.738 6.545 21.638 260 HG22 ILE 35 2HG2 ILE 35 -0.316 7.480 20.179 261 HG23 ILE 35 3HG2 ILE 35 -1.981 7.453 20.796 262 HD11 ILE 35 3HD1 ILE 35 -2.917 4.341 17.756 263 HD12 ILE 35 1HD1 ILE 35 -3.957 5.232 18.876 264 HD13 ILE 35 2HD1 ILE 35 -3.759 5.776 17.196 265 H ARG 36 H ARG 36 -0.355 3.021 21.303 266 HA ARG 36 HA ARG 36 1.120 4.093 23.453 267 HB2 ARG 36 2HB ARG 36 -0.507 2.225 23.555 268 HB3 ARG 36 3HB ARG 36 0.670 1.163 22.772 269 HG2 ARG 36 2HG ARG 36 2.207 1.431 24.696 270 HG3 ARG 36 3HG ARG 36 1.034 2.519 25.477 271 HD2 ARG 36 2HD ARG 36 -0.618 0.707 25.563 272 HD3 ARG 36 3HD ARG 36 0.468 -0.354 24.642 273 HE ARG 36 HE ARG 36 1.724 0.621 27.067 274 HH11 ARG 36 1HH1 ARG 36 -0.447 -1.860 25.921 275 HH12 ARG 36 2HH1 ARG 36 -0.149 -2.897 27.292 276 HH21 ARG 36 1HH2 ARG 36 2.150 -0.765 28.737 277 HH22 ARG 36 2HH2 ARG 36 1.324 -2.293 28.833 278 H MET 37 H MET 37 2.466 2.364 20.667 279 HA MET 37 HA MET 37 5.128 2.100 21.888 280 HB2 MET 37 2HB MET 37 4.332 1.851 18.961 281 HB3 MET 37 3HB MET 37 5.889 1.434 19.685 282 HG2 MET 37 2HG MET 37 4.324 -0.080 21.258 283 HG3 MET 37 3HG MET 37 3.287 -0.014 19.836 284 HE1 MET 37 3HE MET 37 5.944 -1.439 17.122 285 HE2 MET 37 1HE MET 37 4.547 -0.354 17.344 286 HE3 MET 37 2HE MET 37 6.188 0.203 17.739 287 H GLY 38 H GLY 38 3.512 4.817 20.704 288 HA2 GLY 38 2HA GLY 38 4.634 6.947 20.985 289 HA3 GLY 38 3HA GLY 38 6.074 6.297 20.207 290 H PHE 39 H PHE 39 3.485 5.157 18.411 291 HA PHE 39 HA PHE 39 3.836 7.040 16.216 292 HB2 PHE 39 2HB PHE 39 1.841 4.812 16.738 293 HB3 PHE 39 3HB PHE 39 1.867 5.775 15.271 294 HD1 PHE 39 2HD PHE 39 3.955 5.803 13.806 295 HD2 PHE 39 1HD PHE 39 3.239 2.829 16.841 296 HE1 PHE 39 2HE PHE 39 5.534 4.252 12.679 297 HE2 PHE 39 1HE PHE 39 4.776 1.280 15.692 298 HZ PHE 39 HZ PHE 39 5.921 1.974 13.614 299 H SER 40 H SER 40 1.985 8.158 15.185 300 HA SER 40 HA SER 40 0.475 9.819 17.128 301 HB2 SER 40 2HB SER 40 0.859 10.086 14.123 302 HB3 SER 40 3HB SER 40 0.149 11.304 15.195 303 HG SER 40 HG SER 40 2.178 11.484 16.238 304 H PHE 41 H PHE 41 -1.756 9.860 17.253 305 HA PHE 41 HA PHE 41 -3.378 7.755 16.406 306 HB2 PHE 41 2HB PHE 41 -3.854 10.475 17.502 307 HB3 PHE 41 3HB PHE 41 -5.186 9.838 16.565 308 HD1 PHE 41 2HD PHE 41 -6.141 7.534 17.101 309 HD2 PHE 41 1HD PHE 41 -3.535 9.698 19.777 310 HE1 PHE 41 2HE PHE 41 -6.890 6.115 18.996 311 HE2 PHE 41 1HE PHE 41 -4.308 8.280 21.667 312 HZ PHE 41 HZ PHE 41 -5.975 6.481 21.275 313 H LYS 42 H LYS 42 -3.056 10.856 14.757 314 HA LYS 42 HA LYS 42 -4.764 10.484 12.543 315 HB2 LYS 42 2HB LYS 42 -3.844 12.603 13.109 316 HB3 LYS 42 3HB LYS 42 -2.189 12.063 12.879 317 HG2 LYS 42 2HG LYS 42 -4.070 11.918 10.510 318 HG3 LYS 42 3HG LYS 42 -3.547 13.505 11.066 319 HD2 LYS 42 2HD LYS 42 -1.158 12.757 10.936 320 HD3 LYS 42 3HD LYS 42 -1.690 11.271 10.145 321 HE2 LYS 42 2HE LYS 42 -2.307 14.092 9.144 322 HE3 LYS 42 3HE LYS 42 -0.900 13.164 8.645 323 HZ1 LYS 42 3HZ LYS 42 -2.391 11.459 7.756 324 HZ2 LYS 42 1HZ LYS 42 -2.683 12.907 7.060 325 HZ3 LYS 42 2HZ LYS 42 -3.712 12.331 8.190 326 H ASP 43 H ASP 43 -1.371 9.444 12.841 327 HA ASP 43 HA ASP 43 -1.133 8.424 10.155 328 HB2 ASP 43 2HB ASP 43 0.427 7.794 12.697 329 HB3 ASP 43 3HB ASP 43 0.792 7.113 11.122 330 H ILE 44 H ILE 44 -1.996 6.845 13.264 331 HA ILE 44 HA ILE 44 -2.204 4.229 12.106 332 HB ILE 44 HB ILE 44 -3.799 5.047 14.549 333 HG12 ILE 44 2HG1 ILE 44 -1.666 5.797 15.226 334 HG13 ILE 44 3HG1 ILE 44 -1.847 4.194 15.890 335 HG21 ILE 44 1HG2 ILE 44 -3.230 2.609 15.088 336 HG22 ILE 44 2HG2 ILE 44 -4.327 2.855 13.721 337 HG23 ILE 44 3HG2 ILE 44 -2.625 2.447 13.439 338 HD11 ILE 44 3HD1 ILE 44 -0.031 5.070 13.665 339 HD12 ILE 44 1HD1 ILE 44 0.309 4.105 15.124 340 HD13 ILE 44 2HD1 ILE 44 -0.585 3.389 13.791 341 H LYS 45 H LYS 45 -4.798 6.625 12.847 342 HA LYS 45 HA LYS 45 -6.871 5.014 11.663 343 HB2 LYS 45 2HB LYS 45 -8.293 6.932 11.700 344 HB3 LYS 45 3HB LYS 45 -7.414 6.750 13.199 345 HG2 LYS 45 2HG LYS 45 -7.259 8.995 12.985 346 HG3 LYS 45 3HG LYS 45 -5.769 8.519 12.203 347 HD2 LYS 45 2HD LYS 45 -6.844 10.338 11.010 348 HD3 LYS 45 3HD LYS 45 -6.798 8.913 9.972 349 HE2 LYS 45 2HE LYS 45 -9.133 8.396 10.514 350 HE3 LYS 45 3HE LYS 45 -9.196 9.756 11.658 351 HZ1 LYS 45 3HZ LYS 45 -8.744 11.200 9.688 352 HZ2 LYS 45 1HZ LYS 45 -10.170 10.410 9.597 353 HZ3 LYS 45 2HZ LYS 45 -8.902 9.868 8.712 354 H LYS 46 H LYS 46 -4.712 7.403 10.156 355 HA LYS 46 HA LYS 46 -5.880 7.286 7.556 356 HB2 LYS 46 2HB LYS 46 -4.304 9.049 8.215 357 HB3 LYS 46 3HB LYS 46 -3.003 7.866 8.374 358 HG2 LYS 46 2HG LYS 46 -2.747 9.081 6.301 359 HG3 LYS 46 3HG LYS 46 -3.097 7.399 5.957 360 HD2 LYS 46 2HD LYS 46 -5.637 8.741 5.996 361 HD3 LYS 46 3HD LYS 46 -4.550 9.821 5.153 362 HE2 LYS 46 2HE LYS 46 -4.837 6.854 4.503 363 HE3 LYS 46 3HE LYS 46 -5.822 8.106 3.736 364 HZ1 LYS 46 3HZ LYS 46 -3.834 7.479 2.434 365 HZ2 LYS 46 1HZ LYS 46 -2.854 8.052 3.600 366 HZ3 LYS 46 2HZ LYS 46 -3.842 9.079 2.797 367 H ILE 47 H ILE 47 -3.160 5.316 8.882 368 HA ILE 47 HA ILE 47 -2.972 3.831 6.427 369 HB ILE 47 HB ILE 47 -1.186 4.096 8.261 370 HG12 ILE 47 2HG1 ILE 47 -1.620 1.436 6.854 371 HG13 ILE 47 3HG1 ILE 47 -1.009 2.914 6.106 372 HG21 ILE 47 1HG2 ILE 47 -2.482 1.536 9.324 373 HG22 ILE 47 2HG2 ILE 47 -0.935 2.213 9.822 374 HG23 ILE 47 3HG2 ILE 47 -2.408 3.102 10.159 375 HD11 ILE 47 3HD1 ILE 47 0.381 1.228 8.203 376 HD12 ILE 47 1HD1 ILE 47 0.892 1.633 6.550 377 HD13 ILE 47 2HD1 ILE 47 0.886 2.891 7.789 378 H MET 48 H MET 48 -4.810 3.202 9.403 379 HA MET 48 HA MET 48 -5.846 0.635 8.700 380 HB2 MET 48 2HB MET 48 -6.901 2.884 10.451 381 HB3 MET 48 3HB MET 48 -7.762 1.366 10.233 382 HG2 MET 48 2HG MET 48 -4.932 0.923 10.876 383 HG3 MET 48 3HG MET 48 -5.757 1.871 12.110 384 HE1 MET 48 3HE MET 48 -4.831 -0.593 13.542 385 HE2 MET 48 1HE MET 48 -5.364 -2.170 12.913 386 HE3 MET 48 2HE MET 48 -4.368 -1.117 11.904 387 H GLU 49 H GLU 49 -7.430 3.875 8.208 388 HA GLU 49 HA GLU 49 -9.621 2.777 6.763 389 HB2 GLU 49 2HB GLU 49 -10.262 4.955 6.180 390 HB3 GLU 49 3HB GLU 49 -9.604 5.029 7.809 391 HG2 GLU 49 2HG GLU 49 -7.463 5.925 6.823 392 HG3 GLU 49 3HG GLU 49 -8.236 5.958 5.250 393 H GLU 50 H GLU 50 -6.477 3.961 5.523 394 HA GLU 50 HA GLU 50 -7.112 3.556 2.751 395 HB2 GLU 50 2HB GLU 50 -5.304 4.991 3.585 396 HB3 GLU 50 3HB GLU 50 -4.393 3.573 4.122 397 HG2 GLU 50 2HG GLU 50 -4.115 2.812 1.838 398 HG3 GLU 50 3HG GLU 50 -5.296 3.979 1.237 399 H LYS 51 H LYS 51 -5.384 1.397 5.074 400 HA LYS 51 HA LYS 51 -4.934 -0.794 3.338 401 HB2 LYS 51 2HB LYS 51 -3.947 -0.626 5.572 402 HB3 LYS 51 3HB LYS 51 -5.533 -0.751 6.328 403 HG2 LYS 51 2HG LYS 51 -4.354 -2.853 6.521 404 HG3 LYS 51 3HG LYS 51 -5.767 -3.075 5.511 405 HD2 LYS 51 2HD LYS 51 -4.431 -3.156 3.502 406 HD3 LYS 51 3HD LYS 51 -2.978 -2.602 4.365 407 HE2 LYS 51 2HE LYS 51 -2.857 -4.630 5.657 408 HE3 LYS 51 3HE LYS 51 -4.438 -5.179 5.080 409 HZ1 LYS 51 3HZ LYS 51 -2.077 -4.811 3.311 410 HZ2 LYS 51 1HZ LYS 51 -3.524 -5.451 2.876 411 HZ3 LYS 51 2HZ LYS 51 -2.554 -6.249 3.913 412 H ILE 52 H ILE 52 -7.777 -0.229 5.433 413 HA ILE 52 HA ILE 52 -9.223 -2.540 4.533 414 HB ILE 52 HB ILE 52 -10.231 0.043 5.777 415 HG12 ILE 52 2HG1 ILE 52 -9.921 -2.697 7.072 416 HG13 ILE 52 3HG1 ILE 52 -8.598 -1.548 7.093 417 HG21 ILE 52 1HG2 ILE 52 -12.270 -1.356 6.367 418 HG22 ILE 52 2HG2 ILE 52 -12.114 -1.063 4.639 419 HG23 ILE 52 3HG2 ILE 52 -11.643 -2.639 5.315 420 HD11 ILE 52 3HD1 ILE 52 -9.493 -0.347 8.762 421 HD12 ILE 52 1HD1 ILE 52 -11.107 -0.313 8.038 422 HD13 ILE 52 2HD1 ILE 52 -10.599 -1.717 8.991 423 H GLN 53 H GLN 53 -9.381 0.877 3.353 424 HA GLN 53 HA GLN 53 -11.401 0.436 1.410 425 HB2 GLN 53 2HB GLN 53 -10.636 2.641 2.260 426 HB3 GLN 53 3HB GLN 53 -9.113 2.449 1.390 427 HG2 GLN 53 2HG GLN 53 -10.560 3.928 0.157 428 HG3 GLN 53 3HG GLN 53 -10.384 2.445 -0.770 429 HE21 GLN 53 1HE2 GLN 53 -12.646 4.326 1.319 430 HE22 GLN 53 2HE2 GLN 53 -14.072 3.470 0.740 431 H ILE 54 H ILE 54 -7.838 0.252 1.020 432 HA ILE 54 HA ILE 54 -7.988 -0.447 -1.804 433 HB ILE 54 HB ILE 54 -5.700 -0.482 0.195 434 HG12 ILE 54 2HG1 ILE 54 -6.551 1.783 -0.226 435 HG13 ILE 54 3HG1 ILE 54 -4.943 1.565 -0.863 436 HG21 ILE 54 1HG2 ILE 54 -5.587 -0.897 -2.824 437 HG22 ILE 54 2HG2 ILE 54 -4.184 -0.526 -1.795 438 HG23 ILE 54 3HG2 ILE 54 -5.076 -2.030 -1.552 439 HD11 ILE 54 3HD1 ILE 54 -5.631 2.327 -2.859 440 HD12 ILE 54 1HD1 ILE 54 -6.832 1.036 -3.009 441 HD13 ILE 54 2HD1 ILE 54 -7.260 2.548 -2.197 442 H SER 55 H SER 55 -7.176 -2.364 1.123 443 HA SER 55 HA SER 55 -6.771 -4.807 -0.436 444 HB2 SER 55 2HB SER 55 -5.471 -3.992 1.609 445 HB3 SER 55 3HB SER 55 -6.843 -4.533 2.589 446 HG SER 55 HG SER 55 -6.500 -6.651 1.726 447 H GLY 56 H GLY 56 -9.337 -3.555 1.675 448 HA2 GLY 56 2HA GLY 56 -11.606 -4.250 1.429 449 HA3 GLY 56 3HA GLY 56 -11.087 -5.890 1.053 450 H SER 57 H SER 57 -9.122 -5.534 3.476 451 HA SER 57 HA SER 57 -11.003 -5.785 5.775 452 HB2 SER 57 2HB SER 57 -8.929 -7.877 4.995 453 HB3 SER 57 3HB SER 57 -9.821 -7.844 6.525 454 HG SER 57 HG SER 57 -10.816 -9.235 5.017 455 H ASN 58 H ASN 58 -9.835 -5.906 7.869 456 HA ASN 58 HA ASN 58 -7.839 -3.797 8.043 457 HB2 ASN 58 2HB ASN 58 -9.882 -4.461 9.605 458 HB3 ASN 58 3HB ASN 58 -8.707 -5.521 10.380 459 HD21 ASN 58 1HD2 ASN 58 -10.166 -2.823 11.134 460 HD22 ASN 58 2HD2 ASN 58 -8.780 -1.838 11.624 461 H TYR 59 H TYR 59 -5.960 -4.146 9.620 462 HA TYR 59 HA TYR 59 -4.001 -5.932 8.539 463 HB2 TYR 59 2HB TYR 59 -4.154 -4.097 10.951 464 HB3 TYR 59 3HB TYR 59 -2.776 -5.164 10.726 465 HD1 TYR 59 2HD TYR 59 -1.521 -5.137 8.519 466 HD2 TYR 59 1HD TYR 59 -4.192 -1.976 9.737 467 HE1 TYR 59 2HE TYR 59 -0.476 -3.614 6.861 468 HE2 TYR 59 1HE TYR 59 -3.100 -0.438 8.090 469 HH TYR 59 HH TYR 59 -0.492 -1.600 5.913 470 H LYS 60 H LYS 60 -2.998 -7.688 9.359 471 HA LYS 60 HA LYS 60 -4.681 -9.651 10.692 472 HB2 LYS 60 2HB LYS 60 -1.765 -9.815 9.787 473 HB3 LYS 60 3HB LYS 60 -2.773 -11.181 10.250 474 HG2 LYS 60 2HG LYS 60 -3.235 -9.365 7.840 475 HG3 LYS 60 3HG LYS 60 -2.530 -10.980 7.825 476 HD2 LYS 60 2HD LYS 60 -4.683 -11.921 8.701 477 HD3 LYS 60 3HD LYS 60 -5.378 -10.296 8.684 478 HE2 LYS 60 2HE LYS 60 -6.142 -11.423 6.727 479 HE3 LYS 60 3HE LYS 60 -5.029 -10.144 6.237 480 HZ1 LYS 60 3HZ LYS 60 -4.315 -13.026 6.457 481 HZ2 LYS 60 1HZ LYS 60 -3.308 -11.844 5.942 482 HZ3 LYS 60 2HZ LYS 60 -4.617 -12.246 5.059 483 H SER 61 H SER 61 -1.602 -8.169 11.570 484 HA SER 61 HA SER 61 -2.050 -8.459 14.458 485 HB2 SER 61 2HB SER 61 0.144 -9.965 12.971 486 HB3 SER 61 3HB SER 61 0.298 -9.528 14.679 487 HG SER 61 HG SER 61 -1.948 -10.953 13.679 488 H LEU 62 H LEU 62 -0.214 -7.417 15.670 489 HA LEU 62 HA LEU 62 0.204 -4.793 14.702 490 HB2 LEU 62 2HB LEU 62 1.615 -6.324 16.929 491 HB3 LEU 62 3HB LEU 62 1.915 -4.637 16.572 492 HG LEU 62 HG LEU 62 0.500 -4.728 18.439 493 HD11 LEU 62 1HD1 LEU 62 -1.403 -3.381 17.757 494 HD12 LEU 62 2HD1 LEU 62 -1.252 -3.925 16.082 495 HD13 LEU 62 3HD1 LEU 62 0.020 -2.919 16.813 496 HD21 LEU 62 3HD2 LEU 62 -1.626 -6.241 16.884 497 HD22 LEU 62 1HD2 LEU 62 -1.663 -5.732 18.579 498 HD23 LEU 62 2HD2 LEU 62 -0.512 -6.976 18.070 499 H GLU 63 H GLU 63 2.376 -7.594 14.394 500 HA GLU 63 HA GLU 63 4.733 -6.322 13.536 501 HB2 GLU 63 2HB GLU 63 3.479 -8.920 12.558 502 HB3 GLU 63 3HB GLU 63 5.089 -8.363 12.089 503 HG2 GLU 63 2HG GLU 63 5.734 -8.282 14.515 504 HG3 GLU 63 3HG GLU 63 4.173 -9.009 14.917 505 H VAL 64 H VAL 64 1.978 -7.245 11.436 506 HA VAL 64 HA VAL 64 3.135 -6.102 9.032 507 HB VAL 64 HB VAL 64 0.166 -6.568 9.498 508 HG11 VAL 64 1HG1 VAL 64 0.145 -6.939 7.065 509 HG12 VAL 64 2HG1 VAL 64 0.856 -5.360 7.406 510 HG13 VAL 64 3HG1 VAL 64 1.904 -6.719 6.988 511 HG21 VAL 64 3HG2 VAL 64 1.247 -8.682 10.092 512 HG22 VAL 64 1HG2 VAL 64 0.513 -8.829 8.490 513 HG23 VAL 64 2HG2 VAL 64 2.274 -8.599 8.635 514 H LEU 65 H LEU 65 0.820 -4.923 11.456 515 HA LEU 65 HA LEU 65 0.113 -2.482 10.234 516 HB2 LEU 65 2HB LEU 65 -0.673 -3.798 12.483 517 HB3 LEU 65 3HB LEU 65 0.361 -2.598 13.225 518 HG LEU 65 HG LEU 65 -2.231 -2.266 11.711 519 HD11 LEU 65 1HD1 LEU 65 -1.123 -1.305 14.381 520 HD12 LEU 65 2HD1 LEU 65 -2.403 -2.502 14.090 521 HD13 LEU 65 3HD1 LEU 65 -2.677 -0.784 13.738 522 HD21 LEU 65 3HD2 LEU 65 -0.852 -0.550 10.640 523 HD22 LEU 65 1HD2 LEU 65 -0.307 0.003 12.235 524 HD23 LEU 65 2HD2 LEU 65 -2.006 0.188 11.744 525 H VAL 66 H VAL 66 2.653 -3.023 12.731 526 HA VAL 66 HA VAL 66 3.621 -0.309 12.648 527 HB VAL 66 HB VAL 66 5.316 -0.906 14.159 528 HG11 VAL 66 1HG1 VAL 66 3.147 -0.668 15.149 529 HG12 VAL 66 2HG1 VAL 66 2.703 -2.338 14.785 530 HG13 VAL 66 3HG1 VAL 66 3.966 -2.021 15.956 531 HG21 VAL 66 3HG2 VAL 66 5.694 -3.248 14.936 532 HG22 VAL 66 1HG2 VAL 66 4.762 -3.821 13.540 533 HG23 VAL 66 2HG2 VAL 66 6.267 -2.923 13.301 534 H ALA 67 H ALA 67 4.714 -3.223 10.946 535 HA ALA 67 HA ALA 67 7.067 -2.070 9.775 536 HB1 ALA 67 1HB ALA 67 6.797 -3.880 8.105 537 HB2 ALA 67 2HB ALA 67 6.623 -4.483 9.764 538 HB3 ALA 67 3HB ALA 67 5.181 -4.240 8.749 539 H ASP 68 H ASP 68 3.684 -2.311 8.513 540 HA ASP 68 HA ASP 68 4.181 -0.725 6.179 541 HB2 ASP 68 2HB ASP 68 1.650 -1.485 7.662 542 HB3 ASP 68 3HB ASP 68 1.647 -0.396 6.284 543 H LEU 69 H LEU 69 3.169 0.264 9.473 544 HA LEU 69 HA LEU 69 2.761 3.029 8.958 545 HB2 LEU 69 2HB LEU 69 3.721 1.510 11.386 546 HB3 LEU 69 3HB LEU 69 3.647 3.263 11.394 547 HG LEU 69 HG LEU 69 1.201 1.623 10.686 548 HD11 LEU 69 1HD1 LEU 69 2.001 0.926 12.925 549 HD12 LEU 69 2HD1 LEU 69 0.527 1.838 13.025 550 HD13 LEU 69 3HD1 LEU 69 2.069 2.626 13.437 551 HD21 LEU 69 3HD2 LEU 69 1.589 4.447 11.789 552 HD22 LEU 69 1HD2 LEU 69 0.034 3.672 11.435 553 HD23 LEU 69 2HD2 LEU 69 1.145 4.046 10.117 554 H VAL 70 H VAL 70 5.878 1.594 10.160 555 HA VAL 70 HA VAL 70 7.268 4.074 9.764 556 HB VAL 70 HB VAL 70 9.358 2.915 9.989 557 HG11 VAL 70 1HG1 VAL 70 9.064 2.026 12.212 558 HG12 VAL 70 2HG1 VAL 70 7.956 3.396 12.001 559 HG13 VAL 70 3HG1 VAL 70 7.341 1.727 11.920 560 HG21 VAL 70 3HG2 VAL 70 8.993 0.850 8.702 561 HG22 VAL 70 1HG2 VAL 70 9.514 0.486 10.350 562 HG23 VAL 70 2HG2 VAL 70 7.811 0.297 9.907 563 H ASN 71 H ASN 71 6.698 1.413 7.507 564 HA ASN 71 HA ASN 71 8.348 2.362 5.367 565 HB2 ASN 71 2HB ASN 71 7.422 0.082 5.517 566 HB3 ASN 71 3HB ASN 71 5.788 0.713 5.321 567 HD21 ASN 71 1HD2 ASN 71 5.014 0.954 3.206 568 HD22 ASN 71 2HD2 ASN 71 6.069 0.805 1.807 569 H ALA 72 H ALA 72 4.856 2.996 6.046 570 HA ALA 72 HA ALA 72 4.491 4.762 3.798 571 HB1 ALA 72 1HB ALA 72 2.667 3.475 4.846 572 HB2 ALA 72 2HB ALA 72 2.867 4.397 6.354 573 HB3 ALA 72 3HB ALA 72 2.319 5.213 4.873 574 H GLN 73 H GLN 73 5.459 5.336 7.166 575 HA GLN 73 HA GLN 73 5.320 8.228 7.081 576 HB2 GLN 73 2HB GLN 73 6.848 6.260 8.824 577 HB3 GLN 73 3HB GLN 73 6.986 8.015 9.015 578 HG2 GLN 73 2HG GLN 73 4.558 8.209 9.350 579 HG3 GLN 73 3HG GLN 73 4.367 6.462 9.240 580 HE21 GLN 73 1HE2 GLN 73 3.767 8.287 11.487 581 HE22 GLN 73 2HE2 GLN 73 4.782 7.737 12.842 582 H LYS 74 H LYS 74 7.946 5.927 6.276 583 HA LYS 74 HA LYS 74 9.911 7.960 5.597 584 HB2 LYS 74 2HB LYS 74 9.561 5.026 4.876 585 HB3 LYS 74 3HB LYS 74 10.847 6.004 4.163 586 HG2 LYS 74 2HG LYS 74 11.719 6.585 6.374 587 HG3 LYS 74 3HG LYS 74 10.461 5.642 7.171 588 HD2 LYS 74 2HD LYS 74 12.451 4.444 5.195 589 HD3 LYS 74 3HD LYS 74 12.755 4.545 6.934 590 HE2 LYS 74 2HE LYS 74 10.780 3.191 7.423 591 HE3 LYS 74 3HE LYS 74 10.348 3.133 5.712 592 HZ1 LYS 74 3HZ LYS 74 12.851 2.002 6.851 593 HZ2 LYS 74 1HZ LYS 74 12.406 1.916 5.281 594 HZ3 LYS 74 2HZ LYS 74 11.547 1.118 6.419 595 H ASP 75 H ASP 75 10.639 8.556 3.551 596 HA ASP 75 HA ASP 75 10.433 9.619 1.588 597 HB2 ASP 75 2HB ASP 75 9.995 6.967 1.132 598 HB3 ASP 75 3HB ASP 75 8.552 7.634 0.393 599 H SER 76 H SER 76 8.212 10.144 3.648 600 HA SER 76 HA SER 76 5.814 10.913 2.289 601 HB2 SER 76 2HB SER 76 5.363 12.160 4.398 602 HB3 SER 76 3HB SER 76 5.836 10.473 4.659 603 HG SER 76 HG SER 76 7.005 11.710 6.083 604 H MET 77 H MET 77 8.495 12.854 3.501 605 HA MET 77 HA MET 77 8.057 15.048 1.510 606 HB2 MET 77 2HB MET 77 8.442 15.303 4.528 607 HB3 MET 77 3HB MET 77 8.543 16.654 3.410 608 HG2 MET 77 2HG MET 77 6.079 14.938 3.886 609 HG3 MET 77 3HG MET 77 6.370 16.528 4.568 610 HE1 MET 77 3HE MET 77 6.411 18.771 3.251 611 HE2 MET 77 1HE MET 77 7.571 18.223 2.014 612 HE3 MET 77 2HE MET 77 6.027 18.945 1.524 613 H GLN 78 H GLN 78 9.937 16.533 1.408 614 HA GLN 78 HA GLN 78 12.471 15.143 1.180 615 HB2 GLN 78 2HB GLN 78 11.698 18.089 0.953 616 HB3 GLN 78 3HB GLN 78 13.322 17.470 0.673 617 HG2 GLN 78 2HG GLN 78 12.275 17.726 -1.466 618 HG3 GLN 78 3HG GLN 78 12.499 16.012 -1.145 619 HE21 GLN 78 1HE2 GLN 78 10.777 15.059 -2.319 620 HE22 GLN 78 2HE2 GLN 78 9.103 15.545 -2.074 621 H ASP 79 H ASP 79 14.413 15.580 2.271 622 HA ASP 79 HA ASP 79 14.189 16.015 5.155 623 HB2 ASP 79 2HB ASP 79 16.559 15.371 3.364 624 HB3 ASP 79 3HB ASP 79 16.611 15.462 5.127 625 H GLU 80 H GLU 80 13.634 18.159 5.443 626 HA GLU 80 HA GLU 80 15.103 20.386 4.315 627 HB2 GLU 80 2HB GLU 80 12.703 20.443 4.976 628 HB3 GLU 80 3HB GLU 80 13.183 20.377 6.675 629 HG2 GLU 80 2HG GLU 80 14.490 22.504 6.345 630 HG3 GLU 80 3HG GLU 80 13.980 22.533 4.657 631 H SER 81 H SER 81 17.258 20.055 4.778 632 HA SER 81 HA SER 81 18.172 20.814 7.524 633 HB2 SER 81 2HB SER 81 19.403 18.629 5.794 634 HB3 SER 81 3HB SER 81 20.019 19.211 7.350 635 HG SER 81 HG SER 81 18.003 18.502 8.286 636 H SER 82 H SER 82 19.184 22.697 7.336 637 HA SER 82 HA SER 82 20.292 23.822 4.945 638 HB2 SER 82 2HB SER 82 19.592 25.131 6.940 639 HB3 SER 82 3HB SER 82 20.992 24.493 7.829 640 HG SER 82 HG SER 82 21.392 26.553 6.836 641 H GLN 83 H GLN 83 22.190 23.531 3.950 642 HA GLN 83 HA GLN 83 24.499 22.262 5.305 643 HB2 GLN 83 2HB GLN 83 22.895 20.533 4.228 644 HB3 GLN 83 3HB GLN 83 23.360 21.215 2.675 645 HG2 GLN 83 2HG GLN 83 24.630 19.195 3.132 646 HG3 GLN 83 3HG GLN 83 25.734 20.562 3.127 647 HE21 GLN 83 1HE2 GLN 83 23.973 18.259 5.283 648 HE22 GLN 83 2HE2 GLN 83 25.063 18.515 6.641 649 H THR 84 H THR 84 26.501 22.563 4.188 650 HA THR 84 HA THR 84 26.657 25.069 2.656 651 HB THR 84 HB THR 84 28.914 23.208 3.482 652 HG1 THR 84 1HG THR 84 27.773 24.046 5.259 653 HG21 THR 84 3HG2 THR 84 28.883 26.146 2.627 654 HG22 THR 84 1HG2 THR 84 29.627 24.804 1.726 655 HG23 THR 84 2HG2 THR 84 30.285 25.283 3.295 656 H SER 85 H SER 85 25.396 24.338 0.871 657 HA SER 85 HA SER 85 27.041 23.405 -1.385 658 HB2 SER 85 2HB SER 85 26.014 21.324 -0.373 659 HB3 SER 85 3HB SER 85 24.415 22.017 -0.690 660 HG SER 85 HG SER 85 26.395 21.096 -2.501 661 H LEU 86 H LEU 86 25.875 23.731 -3.460 662 HA LEU 86 HA LEU 86 23.977 26.053 -3.364 663 HB2 LEU 86 2HB LEU 86 26.000 25.445 -5.551 664 HB3 LEU 86 3HB LEU 86 24.874 26.785 -5.460 665 HG LEU 86 HG LEU 86 26.175 27.291 -3.161 666 HD11 LEU 86 1HD1 LEU 86 28.605 26.869 -3.452 667 HD12 LEU 86 2HD1 LEU 86 28.273 25.910 -4.909 668 HD13 LEU 86 3HD1 LEU 86 27.729 25.343 -3.319 669 HD21 LEU 86 3HD2 LEU 86 27.218 27.949 -5.949 670 HD22 LEU 86 1HD2 LEU 86 27.645 28.817 -4.454 671 HD23 LEU 86 2HD2 LEU 86 25.976 28.845 -5.042 672 H GLN 87 H GLN 87 22.218 24.559 -3.211 673 HA GLN 87 HA GLN 87 21.756 22.659 -5.390 674 HB2 GLN 87 2HB GLN 87 21.069 22.655 -2.754 675 HB3 GLN 87 3HB GLN 87 19.585 23.322 -3.421 676 HG2 GLN 87 2HG GLN 87 19.387 20.912 -3.228 677 HG3 GLN 87 3HG GLN 87 19.424 21.315 -4.940 678 HE21 GLN 87 1HE2 GLN 87 21.533 20.144 -2.222 679 HE22 GLN 87 2HE2 GLN 87 22.631 19.293 -3.302 680 H LYS 88 H LYS 88 19.909 22.596 -6.718 681 HA LYS 88 HA LYS 88 18.742 25.242 -7.525 682 HB2 LYS 88 2HB LYS 88 18.583 24.194 -9.817 683 HB3 LYS 88 3HB LYS 88 20.200 24.563 -9.231 684 HG2 LYS 88 2HG LYS 88 20.720 22.286 -8.808 685 HG3 LYS 88 3HG LYS 88 19.026 21.770 -8.958 686 HD2 LYS 88 2HD LYS 88 19.029 22.025 -11.314 687 HD3 LYS 88 3HD LYS 88 20.460 23.059 -11.297 688 HE2 LYS 88 2HE LYS 88 21.005 20.852 -12.184 689 HE3 LYS 88 3HE LYS 88 21.910 21.209 -10.713 690 HZ1 LYS 88 3HZ LYS 88 20.379 19.779 -9.484 691 HZ2 LYS 88 1HZ LYS 88 21.024 18.942 -10.721 692 HZ3 LYS 88 2HZ LYS 88 19.490 19.483 -10.827 693 H GLU 89 H GLU 89 17.749 22.409 -6.109 694 HA GLU 89 HA GLU 89 14.920 22.701 -7.072 695 HB2 GLU 89 2HB GLU 89 16.526 20.205 -6.438 696 HB3 GLU 89 3HB GLU 89 14.766 20.214 -6.471 697 HG2 GLU 89 2HG GLU 89 16.533 21.004 -8.828 698 HG3 GLU 89 3HG GLU 89 15.839 19.408 -8.582 699 H ILE 90 H ILE 90 14.074 23.941 -5.484 700 HA ILE 90 HA ILE 90 13.721 22.713 -2.849 701 HB ILE 90 HB ILE 90 15.805 24.021 -2.636 702 HG12 ILE 90 2HG1 ILE 90 13.603 25.320 -0.996 703 HG13 ILE 90 3HG1 ILE 90 14.134 23.651 -0.755 704 HG21 ILE 90 1HG2 ILE 90 15.860 26.448 -2.731 705 HG22 ILE 90 2HG2 ILE 90 15.289 25.838 -4.280 706 HG23 ILE 90 3HG2 ILE 90 14.133 26.526 -3.122 707 HD11 ILE 90 3HD1 ILE 90 15.895 26.120 -0.465 708 HD12 ILE 90 1HD1 ILE 90 15.256 25.100 0.835 709 HD13 ILE 90 2HD1 ILE 90 16.442 24.432 -0.303 710 H SER 91 H SER 91 11.854 23.340 -1.802 711 HA SER 91 HA SER 91 9.744 24.610 -3.351 712 HB2 SER 91 2HB SER 91 9.808 23.587 -0.483 713 HB3 SER 91 3HB SER 91 8.351 24.111 -1.353 714 HG SER 91 HG SER 91 8.614 22.426 -2.806 715 H THR 92 H THR 92 11.213 26.626 -3.460 716 HA THR 92 HA THR 92 11.422 28.451 -1.291 717 HB THR 92 HB THR 92 12.637 28.620 -3.438 718 HG1 THR 92 1HG THR 92 12.665 30.846 -3.401 719 HG21 THR 92 3HG2 THR 92 10.134 29.978 -4.534 720 HG22 THR 92 1HG2 THR 92 10.713 28.368 -5.028 721 HG23 THR 92 2HG2 THR 92 11.706 29.800 -5.336 722 H GLU 93 H GLU 93 8.660 27.893 -3.427 723 HA GLU 93 HA GLU 93 7.057 30.135 -2.677 724 HB2 GLU 93 2HB GLU 93 6.194 27.334 -3.507 725 HB3 GLU 93 3HB GLU 93 5.149 28.761 -3.446 726 HG2 GLU 93 2HG GLU 93 6.674 29.885 -5.108 727 HG3 GLU 93 3HG GLU 93 7.553 28.362 -5.277 728 H GLU 94 H GLU 94 7.565 27.040 -1.023 729 HA GLU 94 HA GLU 94 5.418 27.429 0.926 730 HB2 GLU 94 2HB GLU 94 6.413 25.230 0.107 731 HB3 GLU 94 3HB GLU 94 7.805 25.545 1.130 732 HG2 GLU 94 2HG GLU 94 4.902 25.400 2.080 733 HG3 GLU 94 3HG GLU 94 5.991 24.021 2.052 734 H GLN 95 H GLN 95 8.911 28.098 0.797 735 HA GLN 95 HA GLN 95 9.247 28.948 3.519 736 HB2 GLN 95 2HB GLN 95 10.750 29.719 0.988 737 HB3 GLN 95 3HB GLN 95 11.242 30.204 2.602 738 HG2 GLN 95 2HG GLN 95 10.909 27.275 1.806 739 HG3 GLN 95 3HG GLN 95 12.411 28.167 1.619 740 HE21 GLN 95 1HE2 GLN 95 10.255 26.646 4.022 741 HE22 GLN 95 2HE2 GLN 95 11.385 26.901 5.344 742 H LEU 96 H LEU 96 8.099 30.769 0.668 743 HA LEU 96 HA LEU 96 8.046 33.372 1.804 744 HB2 LEU 96 2HB LEU 96 5.954 32.156 -0.043 745 HB3 LEU 96 3HB LEU 96 6.197 33.867 0.256 746 HG LEU 96 HG LEU 96 8.140 32.014 -1.161 747 HD11 LEU 96 1HD1 LEU 96 6.450 34.320 -2.192 748 HD12 LEU 96 2HD1 LEU 96 6.125 32.590 -2.456 749 HD13 LEU 96 3HD1 LEU 96 7.582 33.330 -3.143 750 HD21 LEU 96 3HD2 LEU 96 9.413 34.061 -1.714 751 HD22 LEU 96 1HD2 LEU 96 9.415 33.747 0.024 752 HD23 LEU 96 2HD2 LEU 96 8.350 35.009 -0.648 753 H ARG 97 H ARG 97 5.753 30.725 2.263 754 HA ARG 97 HA ARG 97 3.768 32.197 3.755 755 HB2 ARG 97 2HB ARG 97 3.568 29.917 2.560 756 HB3 ARG 97 3HB ARG 97 4.318 29.215 4.003 757 HG2 ARG 97 2HG ARG 97 2.463 30.124 5.396 758 HG3 ARG 97 3HG ARG 97 1.752 30.867 3.946 759 HD2 ARG 97 2HD ARG 97 1.585 28.577 2.923 760 HD3 ARG 97 3HD ARG 97 2.169 27.892 4.455 761 HE ARG 97 HE ARG 97 -0.092 29.593 4.950 762 HH11 ARG 97 1HH1 ARG 97 0.562 26.440 3.600 763 HH12 ARG 97 2HH1 ARG 97 -1.049 25.857 3.925 764 HH21 ARG 97 1HH2 ARG 97 -2.128 28.816 5.330 765 HH22 ARG 97 2HH2 ARG 97 -2.532 27.186 4.883 766 H ARG 98 H ARG 98 6.756 30.622 4.739 767 HA ARG 98 HA ARG 98 6.304 30.902 7.617 768 HB2 ARG 98 2HB ARG 98 7.925 29.284 6.472 769 HB3 ARG 98 3HB ARG 98 9.030 30.641 6.256 770 HG2 ARG 98 2HG ARG 98 7.859 29.899 8.969 771 HG3 ARG 98 3HG ARG 98 9.271 29.072 8.333 772 HD2 ARG 98 2HD ARG 98 10.660 30.936 8.473 773 HD3 ARG 98 3HD ARG 98 9.354 32.096 8.549 774 HE ARG 98 HE ARG 98 10.487 30.583 10.763 775 HH11 ARG 98 1HH1 ARG 98 7.639 32.469 9.866 776 HH12 ARG 98 2HH1 ARG 98 7.075 32.557 11.513 777 HH21 ARG 98 1HH2 ARG 98 9.787 30.865 12.832 778 HH22 ARG 98 2HH2 ARG 98 8.324 31.761 13.135 779 H LEU 99 H LEU 99 8.037 32.831 5.187 780 HA LEU 99 HA LEU 99 8.995 34.877 6.932 781 HB2 LEU 99 2HB LEU 99 8.459 34.676 3.965 782 HB3 LEU 99 3HB LEU 99 8.715 36.263 4.643 783 HG LEU 99 HG LEU 99 10.738 35.373 3.668 784 HD11 LEU 99 1HD1 LEU 99 12.285 35.892 5.437 785 HD12 LEU 99 2HD1 LEU 99 11.067 35.581 6.685 786 HD13 LEU 99 3HD1 LEU 99 10.879 36.958 5.575 787 HD21 LEU 99 3HD2 LEU 99 10.492 32.984 4.068 788 HD22 LEU 99 1HD2 LEU 99 10.695 33.222 5.821 789 HD23 LEU 99 2HD2 LEU 99 12.029 33.568 4.701 790 H GLN 100 H GLN 100 5.882 34.708 5.191 791 HA GLN 100 HA GLN 100 4.995 37.281 6.210 792 HB2 GLN 100 2HB GLN 100 4.405 36.298 3.969 793 HB3 GLN 100 3HB GLN 100 3.371 35.136 4.792 794 HG2 GLN 100 2HG GLN 100 2.028 36.997 3.967 795 HG3 GLN 100 3HG GLN 100 2.017 37.026 5.723 796 HE21 GLN 100 1HE2 GLN 100 1.984 39.210 6.368 797 HE22 GLN 100 2HE2 GLN 100 3.015 40.429 5.628 798 H GLU 101 H GLU 101 5.352 36.833 8.482 799 HA GLU 101 HA GLU 101 3.411 35.138 9.918 800 HB2 GLU 101 2HB GLU 101 5.851 35.390 10.544 801 HB3 GLU 101 3HB GLU 101 5.501 37.040 11.043 802 HG2 GLU 101 2HG GLU 101 5.436 35.739 13.021 803 HG3 GLU 101 3HG GLU 101 3.747 36.055 12.644 804 H GLU 102 H GLU 102 1.358 35.992 9.673 805 HA GLU 102 HA GLU 102 0.681 38.792 10.076 806 HB2 GLU 102 2HB GLU 102 -0.578 37.124 8.676 807 HB3 GLU 102 3HB GLU 102 -1.135 36.343 10.162 808 HG2 GLU 102 2HG GLU 102 -2.372 38.343 10.806 809 HG3 GLU 102 3HG GLU 102 -1.605 39.290 9.525 810 H LYS 103 H LYS 103 -0.537 39.704 11.829 811 HA LYS 103 HA LYS 103 0.500 39.077 14.419 812 HB2 LYS 103 2HB LYS 103 -0.081 41.342 13.649 813 HB3 LYS 103 3HB LYS 103 -1.802 40.923 13.640 814 HG2 LYS 103 2HG LYS 103 -1.818 40.644 16.051 815 HG3 LYS 103 3HG LYS 103 -0.048 40.770 16.127 816 HD2 LYS 103 2HD LYS 103 -0.155 43.131 15.461 817 HD3 LYS 103 3HD LYS 103 -1.897 43.004 15.190 818 HE2 LYS 103 2HE LYS 103 -1.518 44.103 17.308 819 HE3 LYS 103 3HE LYS 103 -2.273 42.535 17.582 820 HZ1 LYS 103 3HZ LYS 103 0.632 43.092 17.901 821 HZ2 LYS 103 1HZ LYS 103 -0.092 41.656 18.205 822 HZ3 LYS 103 2HZ LYS 103 -0.435 42.954 19.127 823 H LEU 104 H LEU 104 -2.467 38.031 12.933 824 HA LEU 104 HA LEU 104 -3.450 36.864 15.504 825 HB2 LEU 104 2HB LEU 104 -5.702 37.272 14.831 826 HB3 LEU 104 3HB LEU 104 -4.772 38.748 14.739 827 HG LEU 104 HG LEU 104 -4.595 38.221 12.162 828 HD11 LEU 104 1HD1 LEU 104 -6.614 37.062 11.292 829 HD12 LEU 104 2HD1 LEU 104 -7.070 36.600 12.949 830 HD13 LEU 104 3HD1 LEU 104 -5.596 35.949 12.200 831 HD21 LEU 104 3HD2 LEU 104 -7.209 39.053 13.489 832 HD22 LEU 104 1HD2 LEU 104 -6.741 39.392 11.809 833 HD23 LEU 104 2HD2 LEU 104 -5.825 40.109 13.137 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -3.713 6.821 -29.203 2 H2 GLY 1 2H GLY 1 -5.045 5.886 -29.373 3 H3 GLY 1 3H GLY 1 -3.664 5.495 -30.167 4 HA2 GLY 1 2HA GLY 1 -3.989 4.039 -28.268 5 HA3 GLY 1 3HA GLY 1 -2.520 5.021 -28.122 6 H SER 2 H SER 2 -3.867 3.838 -25.931 7 HA SER 2 HA SER 2 -5.360 5.814 -24.408 8 HB2 SER 2 2HB SER 2 -4.881 4.285 -22.510 9 HB3 SER 2 3HB SER 2 -5.591 3.464 -23.907 10 HG SER 2 HG SER 2 -3.929 2.183 -23.758 11 H ALA 3 H ALA 3 -4.552 6.757 -22.379 12 HA ALA 3 HA ALA 3 -1.659 7.290 -22.155 13 HB1 ALA 3 1HB ALA 3 -3.721 9.508 -22.566 14 HB2 ALA 3 2HB ALA 3 -1.995 9.738 -22.213 15 HB3 ALA 3 3HB ALA 3 -2.490 9.006 -23.747 16 H MET 4 H MET 4 -1.175 8.629 -20.221 17 HA MET 4 HA MET 4 -3.142 8.735 -18.051 18 HB2 MET 4 2HB MET 4 -1.851 7.355 -16.502 19 HB3 MET 4 3HB MET 4 -2.339 6.423 -17.909 20 HG2 MET 4 2HG MET 4 0.068 7.060 -18.827 21 HG3 MET 4 3HG MET 4 0.405 7.420 -17.140 22 HE1 MET 4 3HE MET 4 -0.199 4.833 -19.901 23 HE2 MET 4 1HE MET 4 -0.388 3.284 -19.055 24 HE3 MET 4 2HE MET 4 -1.687 4.489 -18.994 25 H ALA 5 H ALA 5 -2.531 10.092 -16.346 26 HA ALA 5 HA ALA 5 0.124 11.285 -16.178 27 HB1 ALA 5 1HB ALA 5 -0.933 12.723 -17.905 28 HB2 ALA 5 2HB ALA 5 -2.313 13.018 -16.823 29 HB3 ALA 5 3HB ALA 5 -0.696 13.617 -16.396 30 H ASP 6 H ASP 6 0.312 12.665 -14.262 31 HA ASP 6 HA ASP 6 -1.749 12.257 -12.137 32 HB2 ASP 6 2HB ASP 6 1.211 11.609 -11.917 33 HB3 ASP 6 3HB ASP 6 0.112 11.768 -10.543 34 H ILE 7 H ILE 7 -2.404 14.316 -12.333 35 HA ILE 7 HA ILE 7 -0.515 16.535 -11.676 36 HB ILE 7 HB ILE 7 -2.112 18.014 -12.870 37 HG12 ILE 7 2HG1 ILE 7 -3.324 15.473 -14.048 38 HG13 ILE 7 3HG1 ILE 7 -4.089 16.358 -12.726 39 HG21 ILE 7 1HG2 ILE 7 -1.258 17.427 -15.082 40 HG22 ILE 7 2HG2 ILE 7 -0.015 17.142 -13.864 41 HG23 ILE 7 3HG2 ILE 7 -0.911 15.771 -14.549 42 HD11 ILE 7 3HD1 ILE 7 -4.227 18.387 -14.139 43 HD12 ILE 7 1HD1 ILE 7 -3.498 17.491 -15.494 44 HD13 ILE 7 2HD1 ILE 7 -5.076 17.003 -14.856 45 H GLY 8 H GLY 8 -1.568 14.941 -9.702 46 HA2 GLY 8 2HA GLY 8 -3.513 16.591 -8.147 47 HA3 GLY 8 3HA GLY 8 -2.939 14.971 -7.748 48 H SER 9 H SER 9 -2.195 15.385 -5.700 49 HA SER 9 HA SER 9 0.268 17.038 -5.419 50 HB2 SER 9 2HB SER 9 -2.089 17.092 -3.495 51 HB3 SER 9 3HB SER 9 -0.507 17.829 -3.207 52 HG SER 9 HG SER 9 -0.882 19.088 -5.158 53 H GLU 10 H GLU 10 1.836 16.006 -4.476 54 HA GLU 10 HA GLU 10 1.337 13.468 -2.972 55 HB2 GLU 10 2HB GLU 10 3.391 12.643 -3.897 56 HB3 GLU 10 3HB GLU 10 2.308 13.133 -5.185 57 HG2 GLU 10 2HG GLU 10 4.622 14.861 -4.187 58 HG3 GLU 10 3HG GLU 10 4.774 13.677 -5.473 59 H PHE 11 H PHE 11 2.388 16.586 -2.417 60 HA PHE 11 HA PHE 11 4.507 16.017 -0.485 61 HB2 PHE 11 2HB PHE 11 4.515 18.403 -0.120 62 HB3 PHE 11 3HB PHE 11 4.488 18.064 -1.838 63 HD1 PHE 11 2HD PHE 11 2.524 19.366 1.035 64 HD2 PHE 11 1HD PHE 11 2.590 18.750 -3.239 65 HE1 PHE 11 2HE PHE 11 0.560 20.862 0.786 66 HE2 PHE 11 1HE PHE 11 0.631 20.257 -3.478 67 HZ PHE 11 HZ PHE 11 -0.396 21.301 -1.470 68 H GLU 12 H GLU 12 1.077 16.009 -0.285 69 HA GLU 12 HA GLU 12 0.815 16.975 2.440 70 HB2 GLU 12 2HB GLU 12 -0.860 17.234 0.594 71 HB3 GLU 12 3HB GLU 12 -1.206 15.503 0.697 72 HG2 GLU 12 2HG GLU 12 -2.019 15.766 2.986 73 HG3 GLU 12 3HG GLU 12 -1.469 17.444 3.035 74 H LYS 13 H LYS 13 0.527 15.883 4.312 75 HA LYS 13 HA LYS 13 0.741 12.895 4.376 76 HB2 LYS 13 2HB LYS 13 2.233 15.023 5.932 77 HB3 LYS 13 3HB LYS 13 2.026 13.429 6.634 78 HG2 LYS 13 2HG LYS 13 3.318 13.902 3.923 79 HG3 LYS 13 3HG LYS 13 4.188 13.741 5.451 80 HD2 LYS 13 2HD LYS 13 3.210 11.449 5.757 81 HD3 LYS 13 3HD LYS 13 2.439 11.597 4.165 82 HE2 LYS 13 2HE LYS 13 4.763 12.047 3.211 83 HE3 LYS 13 3HE LYS 13 5.419 11.579 4.784 84 HZ1 LYS 13 3HZ LYS 13 4.322 9.379 4.471 85 HZ2 LYS 13 1HZ LYS 13 5.368 9.687 3.269 86 HZ3 LYS 13 2HZ LYS 13 3.763 9.852 3.015 87 H THR 14 H THR 14 -1.640 14.729 4.588 88 HA THR 14 HA THR 14 -2.813 13.542 7.070 89 HB THR 14 HB THR 14 -4.550 15.452 6.743 90 HG1 THR 14 1HG THR 14 -3.654 17.295 5.788 91 HG21 THR 14 3HG2 THR 14 -2.982 15.357 8.630 92 HG22 THR 14 1HG2 THR 14 -3.172 17.016 8.051 93 HG23 THR 14 2HG2 THR 14 -1.706 16.101 7.631 94 HA PRO 15 HA PRO 15 -5.788 11.492 4.444 95 HB2 PRO 15 2HB PRO 15 -7.990 11.267 6.032 96 HB3 PRO 15 3HB PRO 15 -6.467 10.392 6.373 97 HG2 PRO 15 2HG PRO 15 -7.411 13.018 7.570 98 HG3 PRO 15 3HG PRO 15 -6.802 11.565 8.432 99 HD2 PRO 15 2HD PRO 15 -5.196 13.684 7.858 100 HD3 PRO 15 3HD PRO 15 -4.580 12.008 7.802 101 H SER 16 H SER 16 -8.134 11.751 3.610 102 HA SER 16 HA SER 16 -8.460 14.323 2.394 103 HB2 SER 16 2HB SER 16 -10.587 13.355 1.535 104 HB3 SER 16 3HB SER 16 -9.169 12.334 1.251 105 HG SER 16 HG SER 16 -10.968 11.134 2.044 106 H LEU 17 H LEU 17 -10.260 15.740 2.503 107 HA LEU 17 HA LEU 17 -11.050 16.414 5.252 108 HB2 LEU 17 2HB LEU 17 -11.566 17.831 2.609 109 HB3 LEU 17 3HB LEU 17 -11.933 18.468 4.211 110 HG LEU 17 HG LEU 17 -9.149 17.870 3.112 111 HD11 LEU 17 1HD1 LEU 17 -8.882 20.307 3.160 112 HD12 LEU 17 2HD1 LEU 17 -10.545 20.500 3.762 113 HD13 LEU 17 3HD1 LEU 17 -10.249 19.851 2.132 114 HD21 LEU 17 3HD2 LEU 17 -8.331 19.051 5.150 115 HD22 LEU 17 1HD2 LEU 17 -9.117 17.519 5.533 116 HD23 LEU 17 2HD2 LEU 17 -9.987 19.051 5.799 117 H THR 18 H THR 18 -12.464 14.801 5.846 118 HA THR 18 HA THR 18 -15.245 15.076 4.782 119 HB THR 18 HB THR 18 -14.155 12.355 5.570 120 HG1 THR 18 1HG THR 18 -12.942 12.892 3.818 121 HG21 THR 18 3HG2 THR 18 -16.622 12.535 5.442 122 HG22 THR 18 1HG2 THR 18 -16.006 11.561 4.110 123 HG23 THR 18 2HG2 THR 18 -16.493 13.242 3.815 124 H ARG 19 H ARG 19 -16.868 14.806 6.285 125 HA ARG 19 HA ARG 19 -16.324 15.263 9.082 126 HB2 ARG 19 2HB ARG 19 -18.695 15.340 9.353 127 HB3 ARG 19 3HB ARG 19 -18.301 16.105 7.821 128 HG2 ARG 19 2HG ARG 19 -18.890 13.812 6.716 129 HG3 ARG 19 3HG ARG 19 -19.520 13.350 8.300 130 HD2 ARG 19 2HD ARG 19 -21.373 14.112 7.036 131 HD3 ARG 19 3HD ARG 19 -21.022 15.383 8.220 132 HE ARG 19 HE ARG 19 -19.616 15.951 5.789 133 HH11 ARG 19 1HH1 ARG 19 -22.926 15.969 6.897 134 HH12 ARG 19 2HH1 ARG 19 -23.414 17.149 5.707 135 HH21 ARG 19 1HH2 ARG 19 -20.277 17.438 4.308 136 HH22 ARG 19 2HH2 ARG 19 -21.935 17.955 4.279 137 H ARG 20 H ARG 20 -16.167 12.385 7.458 138 HA ARG 20 HA ARG 20 -17.328 10.407 9.110 139 HB2 ARG 20 2HB ARG 20 -16.455 10.032 6.819 140 HB3 ARG 20 3HB ARG 20 -14.798 10.223 7.413 141 HG2 ARG 20 2HG ARG 20 -15.142 8.250 8.925 142 HG3 ARG 20 3HG ARG 20 -16.784 8.071 8.284 143 HD2 ARG 20 2HD ARG 20 -15.828 7.673 6.013 144 HD3 ARG 20 3HD ARG 20 -14.205 7.903 6.666 145 HE ARG 20 HE ARG 20 -14.264 5.811 7.692 146 HH11 ARG 20 1HH1 ARG 20 -17.449 6.393 6.366 147 HH12 ARG 20 2HH1 ARG 20 -17.980 4.765 6.688 148 HH21 ARG 20 1HH2 ARG 20 -14.996 3.768 8.090 149 HH22 ARG 20 2HH2 ARG 20 -16.612 3.320 7.634 150 H ILE 21 H ILE 21 -17.069 10.276 11.220 151 HA ILE 21 HA ILE 21 -14.642 10.852 12.658 152 HB ILE 21 HB ILE 21 -16.945 11.003 13.597 153 HG12 ILE 21 2HG1 ILE 21 -16.498 10.099 15.829 154 HG13 ILE 21 3HG1 ILE 21 -15.129 9.170 15.221 155 HG21 ILE 21 1HG2 ILE 21 -16.865 7.963 13.756 156 HG22 ILE 21 2HG2 ILE 21 -18.125 9.027 14.396 157 HG23 ILE 21 3HG2 ILE 21 -17.887 8.899 12.650 158 HD11 ILE 21 3HD1 ILE 21 -14.480 11.293 16.367 159 HD12 ILE 21 1HD1 ILE 21 -13.926 11.265 14.689 160 HD13 ILE 21 2HD1 ILE 21 -15.360 12.218 15.137 161 H ASP 22 H ASP 22 -13.226 9.419 13.730 162 HA ASP 22 HA ASP 22 -12.613 6.971 12.223 163 HB2 ASP 22 2HB ASP 22 -10.454 7.126 13.554 164 HB3 ASP 22 3HB ASP 22 -10.797 8.330 12.335 165 H ASP 23 H ASP 23 -14.794 6.303 13.357 166 HA ASP 23 HA ASP 23 -14.754 5.157 15.986 167 HB2 ASP 23 2HB ASP 23 -16.284 4.507 13.447 168 HB3 ASP 23 3HB ASP 23 -16.454 3.497 14.874 169 H THR 24 H THR 24 -13.179 4.028 13.087 170 HA THR 24 HA THR 24 -12.721 1.334 13.667 171 HB THR 24 HB THR 24 -10.716 3.219 12.394 172 HG1 THR 24 1HG THR 24 -11.819 2.731 10.486 173 HG21 THR 24 3HG2 THR 24 -10.252 1.169 10.971 174 HG22 THR 24 1HG2 THR 24 -11.250 0.229 12.096 175 HG23 THR 24 2HG2 THR 24 -9.753 1.005 12.661 176 H ILE 25 H ILE 25 -11.288 4.145 15.197 177 HA ILE 25 HA ILE 25 -9.056 2.965 16.551 178 HB ILE 25 HB ILE 25 -10.903 5.262 17.314 179 HG12 ILE 25 2HG1 ILE 25 -8.057 5.331 16.204 180 HG13 ILE 25 3HG1 ILE 25 -9.496 5.510 15.211 181 HG21 ILE 25 1HG2 ILE 25 -9.113 5.936 18.936 182 HG22 ILE 25 2HG2 ILE 25 -9.899 4.442 19.376 183 HG23 ILE 25 3HG2 ILE 25 -8.290 4.390 18.617 184 HD11 ILE 25 3HD1 ILE 25 -10.122 7.524 16.577 185 HD12 ILE 25 1HD1 ILE 25 -8.549 7.404 17.393 186 HD13 ILE 25 2HD1 ILE 25 -8.610 7.682 15.651 187 H PHE 26 H PHE 26 -12.489 3.244 17.524 188 HA PHE 26 HA PHE 26 -12.067 1.831 20.042 189 HB2 PHE 26 2HB PHE 26 -13.757 3.578 19.844 190 HB3 PHE 26 3HB PHE 26 -14.570 2.698 18.556 191 HD1 PHE 26 2HD PHE 26 -13.277 1.614 21.962 192 HD2 PHE 26 1HD PHE 26 -16.679 2.031 19.330 193 HE1 PHE 26 2HE PHE 26 -14.709 0.474 23.626 194 HE2 PHE 26 1HE PHE 26 -18.110 0.906 21.014 195 HZ PHE 26 HZ PHE 26 -17.126 0.111 23.159 196 H GLN 27 H GLN 27 -13.472 0.953 16.858 197 HA GLN 27 HA GLN 27 -14.399 -1.591 17.736 198 HB2 GLN 27 2HB GLN 27 -15.237 -1.882 15.663 199 HB3 GLN 27 3HB GLN 27 -14.995 -0.141 15.627 200 HG2 GLN 27 2HG GLN 27 -12.742 -0.647 14.452 201 HG3 GLN 27 3HG GLN 27 -13.283 -2.314 14.345 202 HE21 GLN 27 1HE2 GLN 27 -12.918 -1.813 11.945 203 HE22 GLN 27 2HE2 GLN 27 -14.305 -1.127 11.109 204 H ASN 28 H ASN 28 -11.164 -0.711 16.805 205 HA ASN 28 HA ASN 28 -10.362 -3.586 16.730 206 HB2 ASN 28 2HB ASN 28 -10.554 -2.482 14.486 207 HB3 ASN 28 3HB ASN 28 -9.246 -1.398 14.954 208 HD21 ASN 28 1HD2 ASN 28 -7.159 -2.170 14.535 209 HD22 ASN 28 2HD2 ASN 28 -6.828 -3.882 14.221 210 HA PRO 29 HA PRO 29 -8.140 -1.691 20.158 211 HB2 PRO 29 2HB PRO 29 -7.220 -3.942 21.445 212 HB3 PRO 29 3HB PRO 29 -8.922 -3.390 21.481 213 HG2 PRO 29 2HG PRO 29 -7.679 -5.465 19.645 214 HG3 PRO 29 3HG PRO 29 -9.173 -5.614 20.628 215 HD2 PRO 29 2HD PRO 29 -9.274 -4.960 18.008 216 HD3 PRO 29 3HD PRO 29 -10.372 -4.165 19.179 217 H MET 30 H MET 30 -6.567 -3.610 17.728 218 HA MET 30 HA MET 30 -3.818 -3.342 18.493 219 HB2 MET 30 2HB MET 30 -5.101 -3.298 15.733 220 HB3 MET 30 3HB MET 30 -3.372 -3.426 16.042 221 HG2 MET 30 2HG MET 30 -3.605 -5.560 17.095 222 HG3 MET 30 3HG MET 30 -5.361 -5.448 17.111 223 HE1 MET 30 3HE MET 30 -2.298 -5.278 14.606 224 HE2 MET 30 1HE MET 30 -3.052 -5.798 13.085 225 HE3 MET 30 2HE MET 30 -3.481 -4.233 13.783 226 H VAL 31 H VAL 31 -6.097 -0.940 17.302 227 HA VAL 31 HA VAL 31 -4.227 0.994 16.341 228 HB VAL 31 HB VAL 31 -7.004 1.378 17.528 229 HG11 VAL 31 1HG1 VAL 31 -5.112 3.340 16.174 230 HG12 VAL 31 2HG1 VAL 31 -6.858 3.571 16.212 231 HG13 VAL 31 3HG1 VAL 31 -5.949 3.518 17.729 232 HG21 VAL 31 3HG2 VAL 31 -5.994 1.328 14.644 233 HG22 VAL 31 1HG2 VAL 31 -6.953 0.057 15.424 234 HG23 VAL 31 2HG2 VAL 31 -7.665 1.645 15.153 235 H GLN 32 H GLN 32 -5.753 0.755 19.586 236 HA GLN 32 HA GLN 32 -4.351 2.851 20.852 237 HB2 GLN 32 2HB GLN 32 -5.299 0.187 21.989 238 HB3 GLN 32 3HB GLN 32 -4.783 1.552 22.968 239 HG2 GLN 32 2HG GLN 32 -7.147 1.589 21.033 240 HG3 GLN 32 3HG GLN 32 -7.262 1.337 22.767 241 HE21 GLN 32 1HE2 GLN 32 -8.580 3.477 21.304 242 HE22 GLN 32 2HE2 GLN 32 -7.904 4.964 21.967 243 H GLU 33 H GLU 33 -3.354 -0.554 20.536 244 HA GLU 33 HA GLU 33 -0.889 -0.394 21.961 245 HB2 GLU 33 2HB GLU 33 -2.034 -2.489 21.454 246 HB3 GLU 33 3HB GLU 33 -1.833 -2.229 19.733 247 HG2 GLU 33 2HG GLU 33 -0.273 -3.900 20.544 248 HG3 GLU 33 3HG GLU 33 0.581 -2.510 19.894 249 H ALA 34 H ALA 34 -1.575 0.346 18.514 250 HA ALA 34 HA ALA 34 1.179 0.666 17.750 251 HB1 ALA 34 1HB ALA 34 -0.663 0.327 16.148 252 HB2 ALA 34 2HB ALA 34 -1.308 1.934 16.536 253 HB3 ALA 34 3HB ALA 34 0.292 1.775 15.780 254 H ILE 35 H ILE 35 -1.257 3.169 18.736 255 HA ILE 35 HA ILE 35 0.597 5.363 18.781 256 HB ILE 35 HB ILE 35 -1.926 4.930 20.421 257 HG12 ILE 35 2HG1 ILE 35 -2.379 7.089 18.756 258 HG13 ILE 35 3HG1 ILE 35 -1.286 6.160 17.745 259 HG21 ILE 35 1HG2 ILE 35 -0.215 7.441 20.231 260 HG22 ILE 35 2HG2 ILE 35 -1.849 7.365 20.917 261 HG23 ILE 35 3HG2 ILE 35 -0.549 6.488 21.697 262 HD11 ILE 35 3HD1 ILE 35 -3.829 5.063 19.044 263 HD12 ILE 35 1HD1 ILE 35 -3.707 5.627 17.363 264 HD13 ILE 35 2HD1 ILE 35 -2.768 4.240 17.891 265 H ARG 36 H ARG 36 -0.103 2.925 21.263 266 HA ARG 36 HA ARG 36 1.419 4.030 23.369 267 HB2 ARG 36 2HB ARG 36 -0.239 2.080 23.362 268 HB3 ARG 36 3HB ARG 36 1.111 1.042 22.880 269 HG2 ARG 36 2HG ARG 36 2.303 1.602 24.960 270 HG3 ARG 36 3HG ARG 36 1.068 2.811 25.362 271 HD2 ARG 36 2HD ARG 36 -0.638 0.883 25.324 272 HD3 ARG 36 3HD ARG 36 0.738 -0.212 25.218 273 HE ARG 36 HE ARG 36 1.235 0.184 27.460 274 HH11 ARG 36 1HH1 ARG 36 -1.127 2.586 26.512 275 HH12 ARG 36 2HH1 ARG 36 -1.352 3.148 28.145 276 HH21 ARG 36 1HH2 ARG 36 0.910 0.940 29.515 277 HH22 ARG 36 2HH2 ARG 36 -0.222 2.230 29.799 278 H MET 37 H MET 37 2.690 2.438 20.518 279 HA MET 37 HA MET 37 5.401 2.178 21.671 280 HB2 MET 37 2HB MET 37 4.531 1.922 18.769 281 HB3 MET 37 3HB MET 37 6.106 1.517 19.465 282 HG2 MET 37 2HG MET 37 4.614 -0.038 21.048 283 HG3 MET 37 3HG MET 37 3.510 0.052 19.677 284 HE1 MET 37 3HE MET 37 6.114 -1.284 16.828 285 HE2 MET 37 1HE MET 37 4.741 -0.180 17.107 286 HE3 MET 37 2HE MET 37 6.396 0.330 17.503 287 H GLY 38 H GLY 38 3.647 4.831 20.506 288 HA2 GLY 38 2HA GLY 38 4.732 6.987 20.809 289 HA3 GLY 38 3HA GLY 38 6.143 6.395 19.939 290 H PHE 39 H PHE 39 3.544 5.233 18.193 291 HA PHE 39 HA PHE 39 3.770 7.209 16.069 292 HB2 PHE 39 2HB PHE 39 1.860 4.903 16.568 293 HB3 PHE 39 3HB PHE 39 1.821 5.903 15.123 294 HD1 PHE 39 2HD PHE 39 3.980 6.087 13.693 295 HD2 PHE 39 1HD PHE 39 3.205 2.920 16.518 296 HE1 PHE 39 2HE PHE 39 5.573 4.606 12.491 297 HE2 PHE 39 1HE PHE 39 4.776 1.449 15.308 298 HZ PHE 39 HZ PHE 39 5.960 2.280 13.301 299 H SER 40 H SER 40 1.947 8.402 15.142 300 HA SER 40 HA SER 40 0.316 9.837 17.149 301 HB2 SER 40 2HB SER 40 0.584 10.189 14.134 302 HB3 SER 40 3HB SER 40 -0.251 11.293 15.237 303 HG SER 40 HG SER 40 1.744 11.700 16.269 304 H PHE 41 H PHE 41 -1.910 9.739 17.321 305 HA PHE 41 HA PHE 41 -3.470 7.575 16.454 306 HB2 PHE 41 2HB PHE 41 -4.069 10.327 17.487 307 HB3 PHE 41 3HB PHE 41 -5.373 9.498 16.670 308 HD1 PHE 41 2HD PHE 41 -6.105 7.193 17.409 309 HD2 PHE 41 1HD PHE 41 -3.549 9.727 19.789 310 HE1 PHE 41 2HE PHE 41 -6.679 5.878 19.438 311 HE2 PHE 41 1HE PHE 41 -4.138 8.408 21.812 312 HZ PHE 41 HZ PHE 41 -5.690 6.477 21.636 313 H LYS 42 H LYS 42 -3.157 10.703 14.862 314 HA LYS 42 HA LYS 42 -4.885 10.375 12.662 315 HB2 LYS 42 2HB LYS 42 -3.889 12.469 13.325 316 HB3 LYS 42 3HB LYS 42 -2.276 11.915 12.919 317 HG2 LYS 42 2HG LYS 42 -4.462 12.010 10.798 318 HG3 LYS 42 3HG LYS 42 -3.686 13.493 11.322 319 HD2 LYS 42 2HD LYS 42 -2.290 11.155 9.961 320 HD3 LYS 42 3HD LYS 42 -2.661 12.738 9.296 321 HE2 LYS 42 2HE LYS 42 -1.228 13.385 11.601 322 HE3 LYS 42 3HE LYS 42 -0.458 11.882 11.088 323 HZ1 LYS 42 3HZ LYS 42 -0.732 14.369 9.498 324 HZ2 LYS 42 1HZ LYS 42 -0.206 12.966 8.841 325 HZ3 LYS 42 2HZ LYS 42 0.651 13.696 10.032 326 H ASP 43 H ASP 43 -1.514 9.244 12.937 327 HA ASP 43 HA ASP 43 -1.351 8.302 10.185 328 HB2 ASP 43 2HB ASP 43 0.249 7.522 12.656 329 HB3 ASP 43 3HB ASP 43 0.570 6.932 11.031 330 H ILE 44 H ILE 44 -2.265 6.732 13.282 331 HA ILE 44 HA ILE 44 -2.469 4.140 12.070 332 HB ILE 44 HB ILE 44 -4.053 4.785 14.546 333 HG12 ILE 44 2HG1 ILE 44 -2.018 5.733 15.255 334 HG13 ILE 44 3HG1 ILE 44 -2.061 4.104 15.882 335 HG21 ILE 44 1HG2 ILE 44 -4.320 2.567 13.576 336 HG22 ILE 44 2HG2 ILE 44 -2.569 2.344 13.439 337 HG23 ILE 44 3HG2 ILE 44 -3.324 2.408 15.030 338 HD11 ILE 44 3HD1 ILE 44 0.122 4.315 15.205 339 HD12 ILE 44 1HD1 ILE 44 -0.623 3.433 13.879 340 HD13 ILE 44 2HD1 ILE 44 -0.284 5.167 13.698 341 H LYS 45 H LYS 45 -5.053 6.506 12.914 342 HA LYS 45 HA LYS 45 -7.198 4.962 11.772 343 HB2 LYS 45 2HB LYS 45 -8.541 6.988 11.758 344 HB3 LYS 45 3HB LYS 45 -7.677 6.770 13.269 345 HG2 LYS 45 2HG LYS 45 -7.312 8.992 13.019 346 HG3 LYS 45 3HG LYS 45 -5.912 8.385 12.188 347 HD2 LYS 45 2HD LYS 45 -6.546 9.948 10.654 348 HD3 LYS 45 3HD LYS 45 -7.453 8.588 10.017 349 HE2 LYS 45 2HE LYS 45 -8.818 10.556 9.994 350 HE3 LYS 45 3HE LYS 45 -9.502 9.381 11.112 351 HZ1 LYS 45 3HZ LYS 45 -7.767 11.598 12.059 352 HZ2 LYS 45 1HZ LYS 45 -8.797 10.650 12.947 353 HZ3 LYS 45 2HZ LYS 45 -9.386 11.758 11.921 354 H LYS 46 H LYS 46 -5.059 7.343 10.247 355 HA LYS 46 HA LYS 46 -6.152 7.269 7.613 356 HB2 LYS 46 2HB LYS 46 -4.650 9.005 8.291 357 HB3 LYS 46 3HB LYS 46 -3.352 7.850 8.635 358 HG2 LYS 46 2HG LYS 46 -3.025 7.359 6.320 359 HG3 LYS 46 3HG LYS 46 -4.490 8.248 5.844 360 HD2 LYS 46 2HD LYS 46 -3.514 10.357 6.324 361 HD3 LYS 46 3HD LYS 46 -2.252 9.655 7.337 362 HE2 LYS 46 2HE LYS 46 -1.296 10.442 5.255 363 HE3 LYS 46 3HE LYS 46 -1.120 8.695 5.411 364 HZ1 LYS 46 3HZ LYS 46 -1.836 9.357 3.177 365 HZ2 LYS 46 1HZ LYS 46 -3.202 10.033 3.755 366 HZ3 LYS 46 2HZ LYS 46 -2.966 8.410 3.860 367 H ILE 47 H ILE 47 -3.385 5.316 8.908 368 HA ILE 47 HA ILE 47 -3.229 3.851 6.454 369 HB ILE 47 HB ILE 47 -1.423 4.156 8.265 370 HG12 ILE 47 2HG1 ILE 47 -1.745 1.485 6.846 371 HG13 ILE 47 3HG1 ILE 47 -1.249 2.998 6.083 372 HG21 ILE 47 1HG2 ILE 47 -1.098 2.271 9.805 373 HG22 ILE 47 2HG2 ILE 47 -2.617 3.087 10.150 374 HG23 ILE 47 3HG2 ILE 47 -2.614 1.534 9.297 375 HD11 ILE 47 3HD1 ILE 47 0.690 3.100 7.710 376 HD12 ILE 47 1HD1 ILE 47 0.293 1.417 8.154 377 HD13 ILE 47 2HD1 ILE 47 0.740 1.828 6.485 378 H MET 48 H MET 48 -5.062 3.153 9.424 379 HA MET 48 HA MET 48 -6.010 0.559 8.664 380 HB2 MET 48 2HB MET 48 -7.102 2.742 10.466 381 HB3 MET 48 3HB MET 48 -8.037 1.284 10.133 382 HG2 MET 48 2HG MET 48 -5.193 1.167 11.173 383 HG3 MET 48 3HG MET 48 -6.609 1.238 12.224 384 HE1 MET 48 3HE MET 48 -4.292 -1.076 12.150 385 HE2 MET 48 1HE MET 48 -5.569 -0.930 13.374 386 HE3 MET 48 2HE MET 48 -5.315 -2.479 12.531 387 H GLU 49 H GLU 49 -7.690 3.761 8.196 388 HA GLU 49 HA GLU 49 -9.782 2.568 6.655 389 HB2 GLU 49 2HB GLU 49 -10.535 4.729 6.113 390 HB3 GLU 49 3HB GLU 49 -9.958 4.765 7.775 391 HG2 GLU 49 2HG GLU 49 -7.836 5.835 6.953 392 HG3 GLU 49 3HG GLU 49 -8.505 5.863 5.327 393 H GLU 50 H GLU 50 -6.672 3.961 5.586 394 HA GLU 50 HA GLU 50 -7.110 3.663 2.775 395 HB2 GLU 50 2HB GLU 50 -5.329 5.022 3.866 396 HB3 GLU 50 3HB GLU 50 -4.472 3.531 4.290 397 HG2 GLU 50 2HG GLU 50 -4.262 2.979 1.885 398 HG3 GLU 50 3HG GLU 50 -5.175 4.430 1.458 399 H LYS 51 H LYS 51 -5.493 1.403 5.091 400 HA LYS 51 HA LYS 51 -4.988 -0.720 3.289 401 HB2 LYS 51 2HB LYS 51 -4.018 -0.622 5.514 402 HB3 LYS 51 3HB LYS 51 -5.605 -0.729 6.272 403 HG2 LYS 51 2HG LYS 51 -4.446 -2.846 6.453 404 HG3 LYS 51 3HG LYS 51 -5.888 -3.013 5.478 405 HD2 LYS 51 2HD LYS 51 -4.554 -3.048 3.419 406 HD3 LYS 51 3HD LYS 51 -3.070 -2.744 4.338 407 HE2 LYS 51 2HE LYS 51 -3.263 -4.856 5.500 408 HE3 LYS 51 3HE LYS 51 -4.882 -5.143 4.848 409 HZ1 LYS 51 3HZ LYS 51 -3.104 -6.387 3.672 410 HZ2 LYS 51 1HZ LYS 51 -2.447 -4.989 3.149 411 HZ3 LYS 51 2HZ LYS 51 -3.950 -5.437 2.660 412 H ILE 52 H ILE 52 -7.903 -0.233 5.310 413 HA ILE 52 HA ILE 52 -9.334 -2.519 4.337 414 HB ILE 52 HB ILE 52 -10.404 0.110 5.428 415 HG12 ILE 52 2HG1 ILE 52 -10.195 -2.557 6.882 416 HG13 ILE 52 3HG1 ILE 52 -8.860 -1.422 6.910 417 HG21 ILE 52 1HG2 ILE 52 -11.795 -2.589 5.029 418 HG22 ILE 52 2HG2 ILE 52 -12.484 -1.223 5.928 419 HG23 ILE 52 3HG2 ILE 52 -12.196 -1.068 4.202 420 HD11 ILE 52 3HD1 ILE 52 -10.125 -1.055 8.904 421 HD12 ILE 52 1HD1 ILE 52 -10.395 0.338 7.848 422 HD13 ILE 52 2HD1 ILE 52 -11.647 -0.915 8.011 423 H GLN 53 H GLN 53 -9.444 0.896 3.179 424 HA GLN 53 HA GLN 53 -11.338 0.450 1.110 425 HB2 GLN 53 2HB GLN 53 -10.831 2.595 2.141 426 HB3 GLN 53 3HB GLN 53 -9.213 2.609 1.447 427 HG2 GLN 53 2HG GLN 53 -11.664 2.435 -0.345 428 HG3 GLN 53 3HG GLN 53 -11.209 3.971 0.375 429 HE21 GLN 53 1HE2 GLN 53 -10.887 2.349 -2.484 430 HE22 GLN 53 2HE2 GLN 53 -9.362 3.077 -2.981 431 H ILE 54 H ILE 54 -7.766 0.420 0.944 432 HA ILE 54 HA ILE 54 -7.674 -0.105 -1.924 433 HB ILE 54 HB ILE 54 -5.569 -0.194 0.265 434 HG12 ILE 54 2HG1 ILE 54 -6.498 2.073 -0.201 435 HG13 ILE 54 3HG1 ILE 54 -4.787 1.918 -0.543 436 HG21 ILE 54 1HG2 ILE 54 -4.732 -1.647 -1.456 437 HG22 ILE 54 2HG2 ILE 54 -5.185 -0.501 -2.735 438 HG23 ILE 54 3HG2 ILE 54 -3.884 -0.107 -1.589 439 HD11 ILE 54 3HD1 ILE 54 -5.239 1.859 -2.964 440 HD12 ILE 54 1HD1 ILE 54 -6.993 1.903 -2.652 441 HD13 ILE 54 2HD1 ILE 54 -5.973 3.282 -2.215 442 H SER 55 H SER 55 -6.995 -2.154 0.951 443 HA SER 55 HA SER 55 -6.402 -4.479 -0.742 444 HB2 SER 55 2HB SER 55 -5.153 -3.667 1.332 445 HB3 SER 55 3HB SER 55 -6.483 -4.344 2.288 446 HG SER 55 HG SER 55 -6.002 -6.387 1.207 447 H GLY 56 H GLY 56 -9.005 -3.518 1.482 448 HA2 GLY 56 2HA GLY 56 -11.241 -4.352 1.131 449 HA3 GLY 56 3HA GLY 56 -10.596 -5.943 0.746 450 H SER 57 H SER 57 -8.706 -5.499 3.229 451 HA SER 57 HA SER 57 -10.608 -5.710 5.490 452 HB2 SER 57 2HB SER 57 -9.513 -7.771 6.313 453 HB3 SER 57 3HB SER 57 -10.370 -8.022 4.787 454 HG SER 57 HG SER 57 -8.289 -8.996 4.783 455 H ASN 58 H ASN 58 -9.567 -5.513 7.592 456 HA ASN 58 HA ASN 58 -7.302 -3.647 7.498 457 HB2 ASN 58 2HB ASN 58 -7.879 -3.036 9.661 458 HB3 ASN 58 3HB ASN 58 -9.424 -3.335 8.902 459 HD21 ASN 58 1HD2 ASN 58 -8.111 -3.572 11.774 460 HD22 ASN 58 2HD2 ASN 58 -8.842 -5.063 12.338 461 H TYR 59 H TYR 59 -5.623 -3.827 9.272 462 HA TYR 59 HA TYR 59 -4.026 -6.186 8.996 463 HB2 TYR 59 2HB TYR 59 -3.905 -3.934 11.039 464 HB3 TYR 59 3HB TYR 59 -2.614 -5.078 10.703 465 HD1 TYR 59 2HD TYR 59 -1.858 -5.226 8.148 466 HD2 TYR 59 1HD TYR 59 -3.883 -1.836 9.891 467 HE1 TYR 59 2HE TYR 59 -0.900 -3.748 6.397 468 HE2 TYR 59 1HE TYR 59 -2.954 -0.376 8.098 469 HH TYR 59 HH TYR 59 -0.651 -1.616 5.663 470 H LYS 60 H LYS 60 -3.654 -7.902 10.338 471 HA LYS 60 HA LYS 60 -5.503 -8.360 12.669 472 HB2 LYS 60 2HB LYS 60 -4.265 -10.244 10.631 473 HB3 LYS 60 3HB LYS 60 -4.917 -10.811 12.170 474 HG2 LYS 60 2HG LYS 60 -7.127 -9.822 11.632 475 HG3 LYS 60 3HG LYS 60 -6.499 -9.279 10.069 476 HD2 LYS 60 2HD LYS 60 -7.781 -11.347 9.813 477 HD3 LYS 60 3HD LYS 60 -6.082 -11.618 9.399 478 HE2 LYS 60 2HE LYS 60 -5.686 -12.638 11.623 479 HE3 LYS 60 3HE LYS 60 -7.362 -12.316 12.086 480 HZ1 LYS 60 3HZ LYS 60 -6.519 -14.100 9.861 481 HZ2 LYS 60 1HZ LYS 60 -8.067 -13.830 10.315 482 HZ3 LYS 60 2HZ LYS 60 -7.041 -14.604 11.320 483 H SER 61 H SER 61 -2.145 -8.010 12.002 484 HA SER 61 HA SER 61 -1.551 -8.702 14.825 485 HB2 SER 61 2HB SER 61 0.540 -9.798 14.204 486 HB3 SER 61 3HB SER 61 -0.849 -10.651 13.514 487 HG SER 61 HG SER 61 0.759 -10.429 11.948 488 H LEU 62 H LEU 62 0.213 -7.558 15.731 489 HA LEU 62 HA LEU 62 0.378 -4.852 14.766 490 HB2 LEU 62 2HB LEU 62 1.890 -6.344 16.949 491 HB3 LEU 62 3HB LEU 62 2.224 -4.673 16.543 492 HG LEU 62 HG LEU 62 0.853 -4.713 18.467 493 HD11 LEU 62 1HD1 LEU 62 0.433 -2.891 16.820 494 HD12 LEU 62 2HD1 LEU 62 -0.977 -3.264 17.822 495 HD13 LEU 62 3HD1 LEU 62 -0.921 -3.834 16.154 496 HD21 LEU 62 3HD2 LEU 62 -1.334 -6.153 16.925 497 HD22 LEU 62 1HD2 LEU 62 -1.383 -5.598 18.606 498 HD23 LEU 62 2HD2 LEU 62 -0.274 -6.899 18.146 499 H GLU 63 H GLU 63 2.509 -7.616 14.270 500 HA GLU 63 HA GLU 63 4.845 -6.328 13.363 501 HB2 GLU 63 2HB GLU 63 3.563 -8.915 12.395 502 HB3 GLU 63 3HB GLU 63 5.175 -8.363 11.923 503 HG2 GLU 63 2HG GLU 63 5.853 -8.326 14.326 504 HG3 GLU 63 3HG GLU 63 4.271 -8.975 14.768 505 H VAL 64 H VAL 64 2.095 -7.349 11.258 506 HA VAL 64 HA VAL 64 3.169 -5.996 8.938 507 HB VAL 64 HB VAL 64 1.664 -7.879 8.716 508 HG11 VAL 64 1HG1 VAL 64 -0.783 -7.633 8.974 509 HG12 VAL 64 2HG1 VAL 64 0.077 -7.561 10.511 510 HG13 VAL 64 3HG1 VAL 64 -0.539 -6.070 9.783 511 HG21 VAL 64 3HG2 VAL 64 1.906 -6.288 6.863 512 HG22 VAL 64 1HG2 VAL 64 0.298 -7.031 6.888 513 HG23 VAL 64 2HG2 VAL 64 0.516 -5.365 7.458 514 H LEU 65 H LEU 65 0.899 -4.959 11.468 515 HA LEU 65 HA LEU 65 0.058 -2.540 10.257 516 HB2 LEU 65 2HB LEU 65 -0.592 -3.856 12.561 517 HB3 LEU 65 3HB LEU 65 0.426 -2.608 13.238 518 HG LEU 65 HG LEU 65 -2.260 -2.424 11.905 519 HD11 LEU 65 1HD1 LEU 65 -2.742 -1.017 13.859 520 HD12 LEU 65 2HD1 LEU 65 -1.029 -1.032 14.310 521 HD13 LEU 65 3HD1 LEU 65 -1.973 -2.528 14.374 522 HD21 LEU 65 3HD2 LEU 65 -1.115 -0.726 10.596 523 HD22 LEU 65 1HD2 LEU 65 -0.353 -0.078 12.059 524 HD23 LEU 65 2HD2 LEU 65 -2.108 0.067 11.819 525 H VAL 66 H VAL 66 2.689 -3.023 12.666 526 HA VAL 66 HA VAL 66 3.578 -0.290 12.533 527 HB VAL 66 HB VAL 66 5.341 -0.820 13.986 528 HG11 VAL 66 1HG1 VAL 66 3.193 -0.637 15.040 529 HG12 VAL 66 2HG1 VAL 66 2.793 -2.326 14.710 530 HG13 VAL 66 3HG1 VAL 66 4.079 -1.953 15.839 531 HG21 VAL 66 3HG2 VAL 66 6.319 -2.822 13.114 532 HG22 VAL 66 1HG2 VAL 66 5.812 -3.142 14.774 533 HG23 VAL 66 2HG2 VAL 66 4.851 -3.758 13.418 534 H ALA 67 H ALA 67 4.680 -3.194 10.810 535 HA ALA 67 HA ALA 67 6.961 -2.019 9.549 536 HB1 ALA 67 1HB ALA 67 6.527 -4.430 9.546 537 HB2 ALA 67 2HB ALA 67 5.054 -4.189 8.577 538 HB3 ALA 67 3HB ALA 67 6.648 -3.822 7.885 539 H ASP 68 H ASP 68 3.526 -2.228 8.419 540 HA ASP 68 HA ASP 68 3.962 -0.607 6.084 541 HB2 ASP 68 2HB ASP 68 1.489 -1.435 7.625 542 HB3 ASP 68 3HB ASP 68 1.418 -0.279 6.305 543 H LEU 69 H LEU 69 2.978 0.300 9.416 544 HA LEU 69 HA LEU 69 2.568 3.075 8.974 545 HB2 LEU 69 2HB LEU 69 3.555 1.508 11.361 546 HB3 LEU 69 3HB LEU 69 3.463 3.255 11.414 547 HG LEU 69 HG LEU 69 1.029 1.597 10.705 548 HD11 LEU 69 1HD1 LEU 69 1.883 0.907 12.938 549 HD12 LEU 69 2HD1 LEU 69 0.370 1.774 13.048 550 HD13 LEU 69 3HD1 LEU 69 1.892 2.607 13.452 551 HD21 LEU 69 3HD2 LEU 69 -0.155 3.629 11.496 552 HD22 LEU 69 1HD2 LEU 69 0.918 4.016 10.150 553 HD23 LEU 69 2HD2 LEU 69 1.399 4.422 11.812 554 H VAL 70 H VAL 70 5.693 1.536 10.020 555 HA VAL 70 HA VAL 70 7.128 4.001 9.730 556 HB VAL 70 HB VAL 70 9.206 2.835 9.712 557 HG11 VAL 70 1HG1 VAL 70 7.367 1.562 11.753 558 HG12 VAL 70 2HG1 VAL 70 9.100 1.889 11.913 559 HG13 VAL 70 3HG1 VAL 70 7.956 3.240 11.839 560 HG21 VAL 70 3HG2 VAL 70 8.754 0.824 8.383 561 HG22 VAL 70 1HG2 VAL 70 9.394 0.402 9.973 562 HG23 VAL 70 2HG2 VAL 70 7.663 0.222 9.651 563 H ASN 71 H ASN 71 6.536 1.407 7.322 564 HA ASN 71 HA ASN 71 8.125 2.578 5.274 565 HB2 ASN 71 2HB ASN 71 7.182 0.241 5.308 566 HB3 ASN 71 3HB ASN 71 5.603 0.915 4.888 567 HD21 ASN 71 1HD2 ASN 71 5.210 1.129 2.645 568 HD22 ASN 71 2HD2 ASN 71 6.520 1.185 1.469 569 H ALA 72 H ALA 72 4.637 3.117 5.993 570 HA ALA 72 HA ALA 72 4.187 4.910 3.806 571 HB1 ALA 72 1HB ALA 72 2.673 4.530 6.427 572 HB2 ALA 72 2HB ALA 72 2.056 5.345 4.971 573 HB3 ALA 72 3HB ALA 72 2.421 3.612 4.925 574 H GLN 73 H GLN 73 5.232 5.563 7.172 575 HA GLN 73 HA GLN 73 5.058 8.471 6.724 576 HB2 GLN 73 2HB GLN 73 5.593 8.782 8.976 577 HB3 GLN 73 3HB GLN 73 4.469 7.442 8.869 578 HG2 GLN 73 2HG GLN 73 5.908 6.562 10.399 579 HG3 GLN 73 3HG GLN 73 6.684 5.971 8.937 580 HE21 GLN 73 1HE2 GLN 73 6.819 8.620 11.401 581 HE22 GLN 73 2HE2 GLN 73 8.546 8.883 11.170 582 H LYS 74 H LYS 74 7.515 6.078 6.310 583 HA LYS 74 HA LYS 74 9.844 7.786 6.116 584 HB2 LYS 74 2HB LYS 74 9.067 5.005 5.218 585 HB3 LYS 74 3HB LYS 74 10.504 5.712 4.541 586 HG2 LYS 74 2HG LYS 74 11.535 6.008 6.717 587 HG3 LYS 74 3HG LYS 74 10.053 5.507 7.523 588 HD2 LYS 74 2HD LYS 74 11.314 3.591 7.634 589 HD3 LYS 74 3HD LYS 74 10.311 3.250 6.241 590 HE2 LYS 74 2HE LYS 74 13.205 4.255 6.180 591 HE3 LYS 74 3HE LYS 74 12.706 2.573 6.030 592 HZ1 LYS 74 3HZ LYS 74 11.478 3.253 3.974 593 HZ2 LYS 74 1HZ LYS 74 13.094 3.380 3.865 594 HZ3 LYS 74 2HZ LYS 74 12.222 4.729 4.034 595 H ASP 75 H ASP 75 11.046 7.644 3.995 596 HA ASP 75 HA ASP 75 10.111 9.384 1.968 597 HB2 ASP 75 2HB ASP 75 12.171 8.797 0.878 598 HB3 ASP 75 3HB ASP 75 12.477 8.920 2.605 599 H SER 76 H SER 76 9.494 5.977 2.343 600 HA SER 76 HA SER 76 8.981 5.391 -0.463 601 HB2 SER 76 2HB SER 76 9.651 3.666 1.203 602 HB3 SER 76 3HB SER 76 8.072 3.837 1.980 603 HG SER 76 HG SER 76 8.668 2.952 -0.671 604 H MET 77 H MET 77 7.664 7.099 -1.065 605 HA MET 77 HA MET 77 4.947 7.542 -0.151 606 HB2 MET 77 2HB MET 77 6.418 8.108 -2.757 607 HB3 MET 77 3HB MET 77 4.743 8.598 -2.486 608 HG2 MET 77 2HG MET 77 5.301 10.054 -0.712 609 HG3 MET 77 3HG MET 77 6.932 9.411 -0.548 610 HE1 MET 77 3HE MET 77 8.999 11.008 -3.305 611 HE2 MET 77 1HE MET 77 8.993 10.278 -1.687 612 HE3 MET 77 2HE MET 77 8.427 9.342 -3.086 613 H GLN 78 H GLN 78 3.031 7.126 -1.489 614 HA GLN 78 HA GLN 78 3.089 4.621 -3.097 615 HB2 GLN 78 2HB GLN 78 0.838 4.062 -2.199 616 HB3 GLN 78 3HB GLN 78 2.172 3.818 -1.093 617 HG2 GLN 78 2HG GLN 78 0.427 6.317 -0.989 618 HG3 GLN 78 3HG GLN 78 -0.016 4.829 -0.174 619 HE21 GLN 78 1HE2 GLN 78 1.165 7.739 0.653 620 HE22 GLN 78 2HE2 GLN 78 2.268 7.204 1.922 621 H ASP 79 H ASP 79 1.912 4.604 -4.907 622 HA ASP 79 HA ASP 79 1.023 7.123 -6.037 623 HB2 ASP 79 2HB ASP 79 2.147 5.156 -7.220 624 HB3 ASP 79 3HB ASP 79 0.603 4.308 -7.110 625 H GLU 80 H GLU 80 -1.155 7.203 -7.165 626 HA GLU 80 HA GLU 80 -3.393 7.610 -6.979 627 HB2 GLU 80 2HB GLU 80 -3.515 4.835 -5.745 628 HB3 GLU 80 3HB GLU 80 -4.862 5.709 -6.449 629 HG2 GLU 80 2HG GLU 80 -2.405 4.827 -8.021 630 HG3 GLU 80 3HG GLU 80 -3.905 3.926 -7.897 631 H SER 81 H SER 81 -1.676 8.147 -4.477 632 HA SER 81 HA SER 81 -3.039 7.771 -2.104 633 HB2 SER 81 2HB SER 81 -0.728 8.570 -2.268 634 HB3 SER 81 3HB SER 81 -1.292 10.142 -2.852 635 HG SER 81 HG SER 81 -1.769 8.952 -0.297 636 H SER 82 H SER 82 -3.206 10.885 -3.921 637 HA SER 82 HA SER 82 -6.045 11.197 -3.433 638 HB2 SER 82 2HB SER 82 -4.963 11.933 -1.235 639 HB3 SER 82 3HB SER 82 -4.233 13.272 -2.138 640 HG SER 82 HG SER 82 -6.280 13.782 -1.132 641 H GLN 83 H GLN 83 -6.706 13.493 -4.184 642 HA GLN 83 HA GLN 83 -4.989 14.644 -6.300 643 HB2 GLN 83 2HB GLN 83 -6.333 12.859 -7.404 644 HB3 GLN 83 3HB GLN 83 -7.815 13.692 -6.910 645 HG2 GLN 83 2HG GLN 83 -7.113 15.693 -8.231 646 HG3 GLN 83 3HG GLN 83 -5.615 14.871 -8.674 647 HE21 GLN 83 1HE2 GLN 83 -6.682 15.602 -10.872 648 HE22 GLN 83 2HE2 GLN 83 -7.684 14.360 -11.616 649 H THR 84 H THR 84 -4.902 16.722 -5.887 650 HA THR 84 HA THR 84 -7.079 18.171 -4.466 651 HB THR 84 HB THR 84 -4.210 18.909 -5.132 652 HG1 THR 84 1HG THR 84 -4.571 17.377 -3.461 653 HG21 THR 84 3HG2 THR 84 -5.470 21.001 -5.047 654 HG22 THR 84 1HG2 THR 84 -4.561 20.807 -3.546 655 HG23 THR 84 2HG2 THR 84 -6.305 20.464 -3.563 656 H SER 85 H SER 85 -8.507 19.355 -5.532 657 HA SER 85 HA SER 85 -8.032 20.206 -8.340 658 HB2 SER 85 2HB SER 85 -10.505 20.352 -8.425 659 HB3 SER 85 3HB SER 85 -9.911 18.739 -8.004 660 HG SER 85 HG SER 85 -11.634 19.403 -6.633 661 H LEU 86 H LEU 86 -7.693 21.641 -5.403 662 HA LEU 86 HA LEU 86 -9.059 24.163 -5.703 663 HB2 LEU 86 2HB LEU 86 -6.700 23.249 -3.995 664 HB3 LEU 86 3HB LEU 86 -7.268 24.906 -4.009 665 HG LEU 86 HG LEU 86 -9.604 24.002 -3.406 666 HD11 LEU 86 1HD1 LEU 86 -7.925 21.630 -2.474 667 HD12 LEU 86 2HD1 LEU 86 -9.190 21.566 -3.730 668 HD13 LEU 86 3HD1 LEU 86 -9.619 21.939 -2.064 669 HD21 LEU 86 3HD2 LEU 86 -8.183 25.289 -1.881 670 HD22 LEU 86 1HD2 LEU 86 -7.287 23.819 -1.433 671 HD23 LEU 86 2HD2 LEU 86 -9.006 23.993 -1.005 672 H GLN 87 H GLN 87 -7.935 26.254 -5.803 673 HA GLN 87 HA GLN 87 -5.611 26.413 -7.659 674 HB2 GLN 87 2HB GLN 87 -8.308 27.801 -7.901 675 HB3 GLN 87 3HB GLN 87 -6.870 28.456 -8.667 676 HG2 GLN 87 2HG GLN 87 -7.992 25.674 -9.195 677 HG3 GLN 87 3HG GLN 87 -8.238 27.085 -10.215 678 HE21 GLN 87 1HE2 GLN 87 -7.017 24.629 -11.150 679 HE22 GLN 87 2HE2 GLN 87 -5.359 25.054 -11.569 680 H LYS 88 H LYS 88 -4.767 28.677 -7.756 681 HA LYS 88 HA LYS 88 -4.488 29.803 -4.991 682 HB2 LYS 88 2HB LYS 88 -2.638 28.322 -6.046 683 HB3 LYS 88 3HB LYS 88 -2.299 29.687 -7.094 684 HG2 LYS 88 2HG LYS 88 -2.129 29.614 -4.045 685 HG3 LYS 88 3HG LYS 88 -0.783 29.562 -5.185 686 HD2 LYS 88 2HD LYS 88 -1.523 31.861 -6.009 687 HD3 LYS 88 3HD LYS 88 -2.622 31.901 -4.606 688 HE2 LYS 88 2HE LYS 88 -0.664 31.543 -3.102 689 HE3 LYS 88 3HE LYS 88 0.401 31.625 -4.513 690 HZ1 LYS 88 3HZ LYS 88 0.252 33.794 -3.471 691 HZ2 LYS 88 1HZ LYS 88 -1.380 33.806 -3.557 692 HZ3 LYS 88 2HZ LYS 88 -0.498 33.884 -4.926 693 H GLU 89 H GLU 89 -5.134 31.820 -4.809 694 HA GLU 89 HA GLU 89 -6.057 33.490 -6.889 695 HB2 GLU 89 2HB GLU 89 -6.271 35.212 -5.217 696 HB3 GLU 89 3HB GLU 89 -6.773 33.650 -4.561 697 HG2 GLU 89 2HG GLU 89 -4.529 33.457 -3.429 698 HG3 GLU 89 3HG GLU 89 -4.124 35.069 -4.026 699 H ILE 90 H ILE 90 -5.317 35.337 -7.912 700 HA ILE 90 HA ILE 90 -2.502 35.489 -8.504 701 HB ILE 90 HB ILE 90 -4.236 35.968 -10.146 702 HG12 ILE 90 2HG1 ILE 90 -2.494 38.427 -9.704 703 HG13 ILE 90 3HG1 ILE 90 -1.885 36.876 -10.291 704 HG21 ILE 90 1HG2 ILE 90 -5.546 38.009 -10.188 705 HG22 ILE 90 2HG2 ILE 90 -5.867 37.187 -8.665 706 HG23 ILE 90 3HG2 ILE 90 -4.789 38.596 -8.697 707 HD11 ILE 90 3HD1 ILE 90 -3.941 38.626 -11.703 708 HD12 ILE 90 1HD1 ILE 90 -2.255 38.357 -12.167 709 HD13 ILE 90 2HD1 ILE 90 -3.413 37.016 -12.251 710 H SER 91 H SER 91 -0.935 36.862 -7.835 711 HA SER 91 HA SER 91 -1.304 38.389 -5.357 712 HB2 SER 91 2HB SER 91 0.767 37.122 -5.801 713 HB3 SER 91 3HB SER 91 1.120 38.183 -7.184 714 HG SER 91 HG SER 91 2.126 38.806 -5.145 715 H THR 92 H THR 92 -1.992 40.444 -5.274 716 HA THR 92 HA THR 92 -2.356 42.203 -7.465 717 HB THR 92 HB THR 92 -1.922 43.064 -4.585 718 HG1 THR 92 1HG THR 92 -4.131 42.654 -4.338 719 HG21 THR 92 3HG2 THR 92 -3.645 44.176 -6.854 720 HG22 THR 92 1HG2 THR 92 -2.231 44.961 -6.113 721 HG23 THR 92 2HG2 THR 92 -3.702 44.737 -5.167 722 H GLU 93 H GLU 93 0.586 41.466 -5.744 723 HA GLU 93 HA GLU 93 2.133 43.803 -6.190 724 HB2 GLU 93 2HB GLU 93 2.642 41.665 -4.828 725 HB3 GLU 93 3HB GLU 93 3.125 40.937 -6.356 726 HG2 GLU 93 2HG GLU 93 5.105 41.675 -5.278 727 HG3 GLU 93 3HG GLU 93 4.840 42.776 -6.621 728 H GLU 94 H GLU 94 1.205 41.230 -8.460 729 HA GLU 94 HA GLU 94 2.996 42.075 -10.613 730 HB2 GLU 94 2HB GLU 94 0.483 40.356 -10.553 731 HB3 GLU 94 3HB GLU 94 1.407 40.661 -12.014 732 HG2 GLU 94 2HG GLU 94 2.477 39.300 -9.504 733 HG3 GLU 94 3HG GLU 94 1.970 38.489 -10.981 734 H GLN 95 H GLN 95 -0.138 43.209 -9.491 735 HA GLN 95 HA GLN 95 -0.848 44.550 -12.000 736 HB2 GLN 95 2HB GLN 95 -1.948 44.986 -9.195 737 HB3 GLN 95 3HB GLN 95 -2.635 45.608 -10.682 738 HG2 GLN 95 2HG GLN 95 -2.390 42.648 -9.974 739 HG3 GLN 95 3HG GLN 95 -3.838 43.622 -9.800 740 HE21 GLN 95 1HE2 GLN 95 -3.987 41.298 -11.312 741 HE22 GLN 95 2HE2 GLN 95 -4.150 41.761 -13.003 742 H LEU 96 H LEU 96 0.974 45.416 -9.100 743 HA LEU 96 HA LEU 96 1.050 48.257 -9.506 744 HB2 LEU 96 2HB LEU 96 2.780 46.291 -7.988 745 HB3 LEU 96 3HB LEU 96 3.335 47.938 -8.231 746 HG LEU 96 HG LEU 96 1.280 48.832 -7.179 747 HD11 LEU 96 1HD1 LEU 96 -0.108 47.342 -5.769 748 HD12 LEU 96 2HD1 LEU 96 0.719 45.927 -6.452 749 HD13 LEU 96 3HD1 LEU 96 -0.299 46.962 -7.481 750 HD21 LEU 96 3HD2 LEU 96 2.854 46.852 -5.484 751 HD22 LEU 96 1HD2 LEU 96 1.932 48.247 -4.878 752 HD23 LEU 96 2HD2 LEU 96 3.359 48.504 -5.895 753 H ARG 97 H ARG 97 2.738 45.729 -11.221 754 HA ARG 97 HA ARG 97 4.812 47.327 -12.433 755 HB2 ARG 97 2HB ARG 97 4.770 44.863 -12.438 756 HB3 ARG 97 3HB ARG 97 3.365 44.873 -13.515 757 HG2 ARG 97 2HG ARG 97 4.645 45.824 -15.322 758 HG3 ARG 97 3HG ARG 97 6.032 46.146 -14.259 759 HD2 ARG 97 2HD ARG 97 6.427 43.774 -13.960 760 HD3 ARG 97 3HD ARG 97 4.956 43.360 -14.861 761 HE ARG 97 HE ARG 97 6.203 44.738 -16.764 762 HH11 ARG 97 1HH1 ARG 97 7.694 42.351 -14.688 763 HH12 ARG 97 2HH1 ARG 97 8.881 41.919 -15.890 764 HH21 ARG 97 1HH2 ARG 97 7.710 44.145 -18.246 765 HH22 ARG 97 2HH2 ARG 97 8.872 42.910 -17.862 766 H ARG 98 H ARG 98 1.381 47.234 -13.042 767 HA ARG 98 HA ARG 98 1.494 48.584 -15.643 768 HB2 ARG 98 2HB ARG 98 -0.334 46.995 -14.754 769 HB3 ARG 98 3HB ARG 98 -0.920 48.366 -13.800 770 HG2 ARG 98 2HG ARG 98 -1.262 49.661 -15.901 771 HG3 ARG 98 3HG ARG 98 -0.600 48.311 -16.838 772 HD2 ARG 98 2HD ARG 98 -2.452 46.863 -15.979 773 HD3 ARG 98 3HD ARG 98 -3.140 48.257 -15.143 774 HE ARG 98 HE ARG 98 -3.201 47.662 -18.020 775 HH11 ARG 98 1HH1 ARG 98 -3.673 50.267 -15.728 776 HH12 ARG 98 2HH1 ARG 98 -4.565 51.230 -16.876 777 HH21 ARG 98 1HH2 ARG 98 -4.329 48.925 -19.423 778 HH22 ARG 98 2HH2 ARG 98 -4.926 50.476 -18.913 779 H LEU 99 H LEU 99 1.603 49.710 -12.359 780 HA LEU 99 HA LEU 99 0.508 52.344 -12.735 781 HB2 LEU 99 2HB LEU 99 0.752 51.351 -10.518 782 HB3 LEU 99 3HB LEU 99 2.503 51.260 -10.710 783 HG LEU 99 HG LEU 99 2.687 53.709 -10.720 784 HD11 LEU 99 1HD1 LEU 99 0.751 55.105 -10.054 785 HD12 LEU 99 2HD1 LEU 99 -0.320 53.694 -10.212 786 HD13 LEU 99 3HD1 LEU 99 0.504 54.370 -11.637 787 HD21 LEU 99 3HD2 LEU 99 1.087 52.639 -8.365 788 HD22 LEU 99 1HD2 LEU 99 2.151 54.065 -8.364 789 HD23 LEU 99 2HD2 LEU 99 2.839 52.453 -8.608 790 H GLN 100 H GLN 100 3.929 51.266 -12.620 791 HA GLN 100 HA GLN 100 4.958 53.803 -13.578 792 HB2 GLN 100 2HB GLN 100 6.229 52.169 -12.157 793 HB3 GLN 100 3HB GLN 100 6.286 51.055 -13.524 794 HG2 GLN 100 2HG GLN 100 8.393 52.310 -13.250 795 HG3 GLN 100 3HG GLN 100 7.652 52.646 -14.808 796 HE21 GLN 100 1HE2 GLN 100 8.400 54.037 -11.585 797 HE22 GLN 100 2HE2 GLN 100 8.040 55.688 -12.082 798 H GLU 101 H GLU 101 5.790 54.300 -15.636 799 HA GLU 101 HA GLU 101 4.939 52.567 -17.923 800 HB2 GLU 101 2HB GLU 101 3.254 54.315 -17.560 801 HB3 GLU 101 3HB GLU 101 4.500 55.567 -17.675 802 HG2 GLU 101 2HG GLU 101 4.941 54.972 -20.011 803 HG3 GLU 101 3HG GLU 101 3.871 53.572 -19.895 804 H GLU 102 H GLU 102 6.342 52.385 -19.542 805 HA GLU 102 HA GLU 102 8.777 54.085 -19.657 806 HB2 GLU 102 2HB GLU 102 10.209 52.174 -19.872 807 HB3 GLU 102 3HB GLU 102 9.309 52.049 -18.363 808 HG2 GLU 102 2HG GLU 102 7.709 50.460 -19.516 809 HG3 GLU 102 3HG GLU 102 8.751 50.509 -20.939 810 H LYS 103 H LYS 103 10.013 53.679 -21.681 811 HA LYS 103 HA LYS 103 8.241 53.212 -24.054 812 HB2 LYS 103 2HB LYS 103 8.678 55.651 -23.502 813 HB3 LYS 103 3HB LYS 103 10.392 55.338 -23.776 814 HG2 LYS 103 2HG LYS 103 9.612 54.469 -26.146 815 HG3 LYS 103 3HG LYS 103 8.073 55.231 -25.747 816 HD2 LYS 103 2HD LYS 103 9.301 56.820 -27.030 817 HD3 LYS 103 3HD LYS 103 9.372 57.401 -25.358 818 HE2 LYS 103 2HE LYS 103 11.635 56.287 -25.136 819 HE3 LYS 103 3HE LYS 103 11.528 55.804 -26.831 820 HZ1 LYS 103 3HZ LYS 103 11.568 58.610 -25.847 821 HZ2 LYS 103 1HZ LYS 103 11.452 58.177 -27.419 822 HZ3 LYS 103 2HZ LYS 103 12.809 57.844 -26.576 823 H LEU 104 H LEU 104 8.978 51.794 -25.412 824 HA LEU 104 HA LEU 104 11.367 50.265 -25.097 825 HB2 LEU 104 2HB LEU 104 10.663 49.100 -27.100 826 HB3 LEU 104 3HB LEU 104 9.319 49.379 -26.016 827 HG LEU 104 HG LEU 104 8.799 51.455 -27.590 828 HD11 LEU 104 1HD1 LEU 104 10.385 49.621 -29.454 829 HD12 LEU 104 2HD1 LEU 104 10.830 51.282 -29.017 830 HD13 LEU 104 3HD1 LEU 104 9.366 50.990 -29.953 831 HD21 LEU 104 3HD2 LEU 104 8.351 48.564 -28.437 832 HD22 LEU 104 1HD2 LEU 104 7.416 49.973 -28.992 833 HD23 LEU 104 2HD2 LEU 104 7.356 49.492 -27.293 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 18.962 8.821 -21.338 2 H2 GLY 1 2H GLY 1 17.607 7.986 -21.729 3 H3 GLY 1 3H GLY 1 18.690 7.349 -20.676 4 HA2 GLY 1 2HA GLY 1 16.721 9.457 -20.251 5 HA3 GLY 1 3HA GLY 1 17.122 8.086 -19.200 6 H SER 2 H SER 2 17.113 9.860 -17.554 7 HA SER 2 HA SER 2 19.710 11.326 -17.376 8 HB2 SER 2 2HB SER 2 18.423 13.156 -16.265 9 HB3 SER 2 3HB SER 2 18.096 12.941 -17.990 10 HG SER 2 HG SER 2 16.173 13.236 -16.765 11 H ALA 3 H ALA 3 20.854 10.952 -15.638 12 HA ALA 3 HA ALA 3 20.014 9.161 -13.547 13 HB1 ALA 3 1HB ALA 3 22.457 10.981 -13.773 14 HB2 ALA 3 2HB ALA 3 22.253 9.642 -12.623 15 HB3 ALA 3 3HB ALA 3 22.330 9.308 -14.363 16 H MET 4 H MET 4 20.660 12.680 -13.540 17 HA MET 4 HA MET 4 19.660 13.011 -10.792 18 HB2 MET 4 2HB MET 4 21.667 14.208 -11.812 19 HB3 MET 4 3HB MET 4 20.526 15.216 -12.704 20 HG2 MET 4 2HG MET 4 20.532 14.846 -9.675 21 HG3 MET 4 3HG MET 4 21.421 16.112 -10.497 22 HE1 MET 4 3HE MET 4 20.398 18.246 -11.595 23 HE2 MET 4 1HE MET 4 19.145 18.981 -10.572 24 HE3 MET 4 2HE MET 4 20.610 18.313 -9.829 25 H ALA 5 H ALA 5 17.555 12.876 -10.537 26 HA ALA 5 HA ALA 5 15.664 14.318 -12.356 27 HB1 ALA 5 1HB ALA 5 15.296 11.585 -11.062 28 HB2 ALA 5 2HB ALA 5 14.132 12.421 -12.113 29 HB3 ALA 5 3HB ALA 5 15.685 11.881 -12.772 30 H ASP 6 H ASP 6 16.906 14.615 -9.407 31 HA ASP 6 HA ASP 6 14.411 15.129 -7.903 32 HB2 ASP 6 2HB ASP 6 15.888 15.188 -5.944 33 HB3 ASP 6 3HB ASP 6 15.901 13.665 -6.811 34 H ILE 7 H ILE 7 14.103 16.917 -9.467 35 HA ILE 7 HA ILE 7 15.267 19.472 -8.423 36 HB ILE 7 HB ILE 7 14.709 20.531 -10.518 37 HG12 ILE 7 2HG1 ILE 7 12.866 18.923 -11.237 38 HG13 ILE 7 3HG1 ILE 7 13.937 19.591 -12.452 39 HG21 ILE 7 1HG2 ILE 7 16.561 18.152 -10.802 40 HG22 ILE 7 2HG2 ILE 7 16.535 19.590 -11.846 41 HG23 ILE 7 3HG2 ILE 7 16.944 19.746 -10.129 42 HD11 ILE 7 3HD1 ILE 7 15.163 17.474 -12.639 43 HD12 ILE 7 1HD1 ILE 7 14.152 16.764 -11.362 44 HD13 ILE 7 2HD1 ILE 7 13.429 17.240 -12.900 45 H GLY 8 H GLY 8 12.555 17.707 -8.036 46 HA2 GLY 8 2HA GLY 8 10.572 19.919 -8.044 47 HA3 GLY 8 3HA GLY 8 10.266 18.220 -7.697 48 H SER 9 H SER 9 11.461 17.421 -5.640 49 HA SER 9 HA SER 9 11.723 19.394 -3.464 50 HB2 SER 9 2HB SER 9 9.269 18.640 -3.602 51 HB3 SER 9 3HB SER 9 9.843 17.030 -3.140 52 HG SER 9 HG SER 9 9.766 19.436 -1.668 53 H GLU 10 H GLU 10 12.273 18.172 -1.406 54 HA GLU 10 HA GLU 10 13.967 15.746 -1.836 55 HB2 GLU 10 2HB GLU 10 15.872 16.716 -0.712 56 HB3 GLU 10 3HB GLU 10 15.444 17.683 -2.120 57 HG2 GLU 10 2HG GLU 10 14.326 19.350 -0.655 58 HG3 GLU 10 3HG GLU 10 14.700 18.371 0.763 59 H PHE 11 H PHE 11 11.663 17.252 0.144 60 HA PHE 11 HA PHE 11 11.936 15.147 2.174 61 HB2 PHE 11 2HB PHE 11 13.366 17.002 3.024 62 HB3 PHE 11 3HB PHE 11 11.972 18.073 3.003 63 HD1 PHE 11 1HD PHE 11 13.351 14.925 4.480 64 HD2 PHE 11 2HD PHE 11 10.364 18.020 4.825 65 HE1 PHE 11 1HE PHE 11 12.720 14.069 6.726 66 HE2 PHE 11 2HE PHE 11 9.738 17.161 7.071 67 HZ PHE 11 HZ PHE 11 10.914 15.184 8.023 68 H GLU 12 H GLU 12 10.014 14.262 1.780 69 HA GLU 12 HA GLU 12 7.575 15.784 1.283 70 HB2 GLU 12 2HB GLU 12 8.029 12.812 1.785 71 HB3 GLU 12 3HB GLU 12 6.488 13.564 1.377 72 HG2 GLU 12 2HG GLU 12 7.341 12.688 -0.660 73 HG3 GLU 12 3HG GLU 12 7.466 14.436 -0.745 74 H LYS 13 H LYS 13 6.502 16.813 2.808 75 HA LYS 13 HA LYS 13 6.557 16.215 5.650 76 HB2 LYS 13 2HB LYS 13 4.936 17.952 5.877 77 HB3 LYS 13 3HB LYS 13 6.113 18.478 4.679 78 HG2 LYS 13 2HG LYS 13 4.511 17.852 2.851 79 HG3 LYS 13 3HG LYS 13 3.357 17.324 4.078 80 HD2 LYS 13 2HD LYS 13 3.458 19.713 5.034 81 HD3 LYS 13 3HD LYS 13 4.373 20.141 3.583 82 HE2 LYS 13 2HE LYS 13 2.106 20.699 3.115 83 HE3 LYS 13 3HE LYS 13 2.454 19.234 2.192 84 HZ1 LYS 13 3HZ LYS 13 0.325 19.048 3.327 85 HZ2 LYS 13 1HZ LYS 13 0.997 19.348 4.784 86 HZ3 LYS 13 2HZ LYS 13 1.346 17.958 3.995 87 H THR 14 H THR 14 4.348 15.950 6.819 88 HA THR 14 HA THR 14 3.291 13.341 6.291 89 HB THR 14 HB THR 14 1.547 14.154 8.043 90 HG1 THR 14 1HG THR 14 2.224 15.976 9.192 91 HG21 THR 14 3HG2 THR 14 4.521 14.148 8.718 92 HG22 THR 14 1HG2 THR 14 3.458 12.727 8.624 93 HG23 THR 14 2HG2 THR 14 3.193 13.946 9.881 94 HA PRO 15 HA PRO 15 0.115 14.078 3.390 95 HB2 PRO 15 2HB PRO 15 -1.823 12.226 4.005 96 HB3 PRO 15 3HB PRO 15 -0.215 11.808 3.339 97 HG2 PRO 15 2HG PRO 15 -1.082 11.784 6.246 98 HG3 PRO 15 3HG PRO 15 -0.227 10.498 5.334 99 HD2 PRO 15 2HD PRO 15 1.131 12.237 6.896 100 HD3 PRO 15 3HD PRO 15 1.797 11.723 5.320 101 H SER 16 H SER 16 -0.885 14.269 6.738 102 HA SER 16 HA SER 16 -2.712 16.536 6.143 103 HB2 SER 16 2HB SER 16 -3.406 14.246 8.035 104 HB3 SER 16 3HB SER 16 -4.331 15.742 7.830 105 HG SER 16 HG SER 16 -5.205 14.010 6.607 106 H LEU 17 H LEU 17 -2.745 18.074 7.748 107 HA LEU 17 HA LEU 17 -0.683 17.906 9.900 108 HB2 LEU 17 2HB LEU 17 -0.624 19.692 8.172 109 HB3 LEU 17 3HB LEU 17 -2.149 20.332 8.761 110 HG LEU 17 HG LEU 17 0.323 20.059 10.535 111 HD11 LEU 17 1HD1 LEU 17 -0.535 22.447 8.843 112 HD12 LEU 17 2HD1 LEU 17 0.900 21.432 8.574 113 HD13 LEU 17 3HD1 LEU 17 0.792 22.430 10.029 114 HD21 LEU 17 3HD2 LEU 17 -1.722 20.507 11.823 115 HD22 LEU 17 1HD2 LEU 17 -2.161 21.831 10.718 116 HD23 LEU 17 2HD2 LEU 17 -0.738 21.963 11.773 117 H THR 18 H THR 18 -4.013 19.179 9.494 118 HA THR 18 HA THR 18 -4.705 19.353 12.220 119 HB THR 18 HB THR 18 -6.570 18.950 9.848 120 HG1 THR 18 1HG THR 18 -6.500 21.296 9.903 121 HG21 THR 18 3HG2 THR 18 -7.760 18.869 12.017 122 HG22 THR 18 1HG2 THR 18 -8.118 20.373 11.165 123 HG23 THR 18 2HG2 THR 18 -6.966 20.380 12.522 124 H ARG 19 H ARG 19 -5.384 17.955 13.692 125 HA ARG 19 HA ARG 19 -5.657 15.070 13.127 126 HB2 ARG 19 2HB ARG 19 -5.783 16.740 15.681 127 HB3 ARG 19 3HB ARG 19 -6.009 14.984 15.654 128 HG2 ARG 19 2HG ARG 19 -3.796 14.615 14.772 129 HG3 ARG 19 3HG ARG 19 -3.521 16.344 14.537 130 HD2 ARG 19 2HD ARG 19 -3.700 16.661 17.029 131 HD3 ARG 19 3HD ARG 19 -3.870 14.914 17.201 132 HE ARG 19 HE ARG 19 -1.594 14.654 16.875 133 HH11 ARG 19 1HH1 ARG 19 -2.337 17.913 15.835 134 HH12 ARG 19 2HH1 ARG 19 -0.660 18.314 15.591 135 HH21 ARG 19 1HH2 ARG 19 0.521 15.228 16.551 136 HH22 ARG 19 2HH2 ARG 19 0.906 16.831 16.001 137 H ARG 20 H ARG 20 -7.428 13.865 13.347 138 HA ARG 20 HA ARG 20 -10.120 14.924 14.018 139 HB2 ARG 20 2HB ARG 20 -9.486 13.540 11.369 140 HB3 ARG 20 3HB ARG 20 -11.101 13.861 11.955 141 HG2 ARG 20 2HG ARG 20 -9.105 16.067 11.261 142 HG3 ARG 20 3HG ARG 20 -10.231 15.343 10.129 143 HD2 ARG 20 2HD ARG 20 -11.275 17.321 10.832 144 HD3 ARG 20 3HD ARG 20 -12.136 15.997 11.631 145 HE ARG 20 HE ARG 20 -9.960 17.179 13.217 146 HH11 ARG 20 1HH1 ARG 20 -13.369 17.542 12.523 147 HH12 ARG 20 2HH1 ARG 20 -13.672 18.402 14.009 148 HH21 ARG 20 1HH2 ARG 20 -10.380 18.254 15.050 149 HH22 ARG 20 2HH2 ARG 20 -11.992 18.807 15.416 150 H ILE 21 H ILE 21 -11.523 13.344 14.713 151 HA ILE 21 HA ILE 21 -10.513 10.728 15.509 152 HB ILE 21 HB ILE 21 -12.222 12.125 16.755 153 HG12 ILE 21 2HG1 ILE 21 -13.740 10.279 17.429 154 HG13 ILE 21 3HG1 ILE 21 -13.087 9.268 16.157 155 HG21 ILE 21 1HG2 ILE 21 -14.202 11.121 14.665 156 HG22 ILE 21 2HG2 ILE 21 -14.558 12.085 16.108 157 HG23 ILE 21 3HG2 ILE 21 -13.614 12.794 14.795 158 HD11 ILE 21 3HD1 ILE 21 -11.572 10.435 18.537 159 HD12 ILE 21 1HD1 ILE 21 -12.043 8.741 18.303 160 HD13 ILE 21 2HD1 ILE 21 -10.811 9.467 17.262 161 H ASP 22 H ASP 22 -11.556 8.675 14.822 162 HA ASP 22 HA ASP 22 -13.071 8.611 12.321 163 HB2 ASP 22 2HB ASP 22 -10.654 8.556 11.610 164 HB3 ASP 22 3HB ASP 22 -10.437 7.106 12.589 165 H ASP 23 H ASP 23 -14.420 6.769 12.249 166 HA ASP 23 HA ASP 23 -14.990 5.548 14.760 167 HB2 ASP 23 2HB ASP 23 -16.710 4.312 13.578 168 HB3 ASP 23 3HB ASP 23 -16.719 6.016 13.157 169 H THR 24 H THR 24 -12.758 4.411 12.262 170 HA THR 24 HA THR 24 -12.758 1.657 13.098 171 HB THR 24 HB THR 24 -10.558 3.255 11.749 172 HG1 THR 24 1HG THR 24 -12.618 1.539 10.792 173 HG21 THR 24 3HG2 THR 24 -9.496 1.273 12.581 174 HG22 THR 24 1HG2 THR 24 -9.875 0.961 10.884 175 HG23 THR 24 2HG2 THR 24 -10.890 0.254 12.157 176 H ILE 25 H ILE 25 -11.326 4.507 14.527 177 HA ILE 25 HA ILE 25 -9.268 3.317 16.127 178 HB ILE 25 HB ILE 25 -10.988 5.772 16.657 179 HG12 ILE 25 2HG1 ILE 25 -8.200 5.567 15.402 180 HG13 ILE 25 3HG1 ILE 25 -9.682 5.820 14.492 181 HG21 ILE 25 1HG2 ILE 25 -9.866 4.993 18.731 182 HG22 ILE 25 2HG2 ILE 25 -8.308 5.026 17.881 183 HG23 ILE 25 3HG2 ILE 25 -9.216 6.522 18.180 184 HD11 ILE 25 3HD1 ILE 25 -10.071 7.934 15.788 185 HD12 ILE 25 1HD1 ILE 25 -8.436 7.755 16.470 186 HD13 ILE 25 2HD1 ILE 25 -8.656 7.951 14.726 187 H PHE 26 H PHE 26 -12.726 3.844 16.781 188 HA PHE 26 HA PHE 26 -12.610 2.679 19.441 189 HB2 PHE 26 2HB PHE 26 -14.401 4.310 18.009 190 HB3 PHE 26 3HB PHE 26 -15.286 2.819 18.222 191 HD1 PHE 26 2HD PHE 26 -14.446 1.912 20.963 192 HD2 PHE 26 1HD PHE 26 -15.332 5.869 19.469 193 HE1 PHE 26 2HE PHE 26 -15.038 2.645 23.244 194 HE2 PHE 26 1HE PHE 26 -15.942 6.586 21.762 195 HZ PHE 26 HZ PHE 26 -15.789 4.980 23.656 196 H GLN 27 H GLN 27 -13.387 1.386 16.219 197 HA GLN 27 HA GLN 27 -14.579 -1.032 17.335 198 HB2 GLN 27 2HB GLN 27 -15.351 -1.504 15.266 199 HB3 GLN 27 3HB GLN 27 -15.176 0.242 15.143 200 HG2 GLN 27 2HG GLN 27 -12.884 -0.239 14.042 201 HG3 GLN 27 3HG GLN 27 -13.368 -1.924 13.980 202 HE21 GLN 27 1HE2 GLN 27 -12.813 -1.008 11.548 203 HE22 GLN 27 2HE2 GLN 27 -14.295 -0.606 10.688 204 H ASN 28 H ASN 28 -11.322 -0.227 16.521 205 HA ASN 28 HA ASN 28 -10.556 -3.111 16.365 206 HB2 ASN 28 2HB ASN 28 -10.668 -1.811 14.201 207 HB3 ASN 28 3HB ASN 28 -9.331 -0.832 14.786 208 HD21 ASN 28 1HD2 ASN 28 -7.402 -1.574 13.876 209 HD22 ASN 28 2HD2 ASN 28 -7.173 -3.266 13.427 210 HA PRO 29 HA PRO 29 -8.333 -1.475 19.951 211 HB2 PRO 29 2HB PRO 29 -7.529 -3.822 21.130 212 HB3 PRO 29 3HB PRO 29 -9.208 -3.207 21.176 213 HG2 PRO 29 2HG PRO 29 -8.028 -5.240 19.258 214 HG3 PRO 29 3HG PRO 29 -9.540 -5.370 20.213 215 HD2 PRO 29 2HD PRO 29 -9.563 -4.587 17.621 216 HD3 PRO 29 3HD PRO 29 -10.663 -3.824 18.810 217 H MET 30 H MET 30 -6.871 -3.393 17.452 218 HA MET 30 HA MET 30 -4.102 -3.252 18.177 219 HB2 MET 30 2HB MET 30 -5.465 -3.197 15.452 220 HB3 MET 30 3HB MET 30 -3.724 -3.358 15.699 221 HG2 MET 30 2HG MET 30 -3.990 -5.455 16.860 222 HG3 MET 30 3HG MET 30 -5.744 -5.300 16.863 223 HE1 MET 30 3HE MET 30 -2.587 -5.568 14.531 224 HE2 MET 30 1HE MET 30 -3.298 -6.067 12.978 225 HE3 MET 30 2HE MET 30 -3.550 -4.418 13.576 226 H VAL 31 H VAL 31 -6.289 -0.728 17.092 227 HA VAL 31 HA VAL 31 -4.356 1.147 16.124 228 HB VAL 31 HB VAL 31 -7.091 1.620 17.372 229 HG11 VAL 31 1HG1 VAL 31 -5.795 3.702 17.561 230 HG12 VAL 31 2HG1 VAL 31 -5.278 3.566 15.870 231 HG13 VAL 31 3HG1 VAL 31 -6.977 3.847 16.265 232 HG21 VAL 31 3HG2 VAL 31 -7.778 1.965 15.013 233 HG22 VAL 31 1HG2 VAL 31 -6.124 1.609 14.475 234 HG23 VAL 31 2HG2 VAL 31 -7.113 0.347 15.234 235 H GLN 32 H GLN 32 -5.911 1.038 19.358 236 HA GLN 32 HA GLN 32 -4.391 3.059 20.576 237 HB2 GLN 32 2HB GLN 32 -5.793 0.600 21.685 238 HB3 GLN 32 3HB GLN 32 -4.929 1.716 22.736 239 HG2 GLN 32 2HG GLN 32 -7.298 2.251 22.718 240 HG3 GLN 32 3HG GLN 32 -6.338 3.579 22.081 241 HE21 GLN 32 1HE2 GLN 32 -8.711 1.016 21.159 242 HE22 GLN 32 2HE2 GLN 32 -9.081 1.816 19.623 243 H GLU 33 H GLU 33 -3.582 -0.393 20.364 244 HA GLU 33 HA GLU 33 -1.195 -0.364 21.926 245 HB2 GLU 33 2HB GLU 33 -2.436 -2.389 21.313 246 HB3 GLU 33 3HB GLU 33 -2.076 -2.127 19.616 247 HG2 GLU 33 2HG GLU 33 -0.686 -3.892 20.541 248 HG3 GLU 33 3HG GLU 33 0.295 -2.550 19.977 249 H ALA 34 H ALA 34 -1.671 0.540 18.495 250 HA ALA 34 HA ALA 34 1.157 0.695 17.880 251 HB1 ALA 34 1HB ALA 34 -0.601 0.414 16.160 252 HB2 ALA 34 2HB ALA 34 -1.198 2.049 16.506 253 HB3 ALA 34 3HB ALA 34 0.437 1.819 15.854 254 H ILE 35 H ILE 35 -1.269 3.251 18.723 255 HA ILE 35 HA ILE 35 0.582 5.429 18.863 256 HB ILE 35 HB ILE 35 -1.986 4.989 20.434 257 HG12 ILE 35 2HG1 ILE 35 -2.386 7.141 18.731 258 HG13 ILE 35 3HG1 ILE 35 -1.300 6.170 17.757 259 HG21 ILE 35 1HG2 ILE 35 -0.283 7.509 20.274 260 HG22 ILE 35 2HG2 ILE 35 -1.932 7.425 20.922 261 HG23 ILE 35 3HG2 ILE 35 -0.645 6.557 21.734 262 HD11 ILE 35 3HD1 ILE 35 -3.888 5.167 19.043 263 HD12 ILE 35 1HD1 ILE 35 -3.716 5.661 17.346 264 HD13 ILE 35 2HD1 ILE 35 -2.824 4.272 17.947 265 H ARG 36 H ARG 36 -0.243 3.023 21.335 266 HA ARG 36 HA ARG 36 1.232 4.090 23.496 267 HB2 ARG 36 2HB ARG 36 -0.488 2.297 23.545 268 HB3 ARG 36 3HB ARG 36 0.688 1.159 22.876 269 HG2 ARG 36 2HG ARG 36 2.062 1.312 24.872 270 HG3 ARG 36 3HG ARG 36 1.087 2.664 25.497 271 HD2 ARG 36 2HD ARG 36 -0.883 1.203 25.635 272 HD3 ARG 36 3HD ARG 36 0.050 -0.157 24.978 273 HE ARG 36 HE ARG 36 1.525 0.605 27.177 274 HH11 ARG 36 1HH1 ARG 36 -1.826 -0.327 26.843 275 HH12 ARG 36 2HH1 ARG 36 -1.919 -0.944 28.470 276 HH21 ARG 36 1HH2 ARG 36 1.365 -0.212 29.226 277 HH22 ARG 36 2HH2 ARG 36 -0.141 -0.884 29.778 278 H MET 37 H MET 37 2.589 2.549 20.667 279 HA MET 37 HA MET 37 5.241 2.192 21.943 280 HB2 MET 37 2HB MET 37 4.504 1.994 18.999 281 HB3 MET 37 3HB MET 37 6.031 1.540 19.764 282 HG2 MET 37 2HG MET 37 4.451 -0.008 21.246 283 HG3 MET 37 3HG MET 37 3.386 0.145 19.851 284 HE1 MET 37 3HE MET 37 6.014 -1.206 17.035 285 HE2 MET 37 1HE MET 37 4.632 -0.110 17.299 286 HE3 MET 37 2HE MET 37 6.279 0.400 17.734 287 H GLY 38 H GLY 38 3.589 4.891 20.720 288 HA2 GLY 38 2HA GLY 38 4.715 7.032 21.058 289 HA3 GLY 38 3HA GLY 38 6.135 6.404 20.227 290 H PHE 39 H PHE 39 3.563 5.275 18.434 291 HA PHE 39 HA PHE 39 3.841 7.233 16.297 292 HB2 PHE 39 2HB PHE 39 1.913 4.937 16.772 293 HB3 PHE 39 3HB PHE 39 1.905 5.934 15.326 294 HD1 PHE 39 2HD PHE 39 4.084 6.110 13.928 295 HD2 PHE 39 1HD PHE 39 3.232 2.940 16.728 296 HE1 PHE 39 2HE PHE 39 5.646 4.605 12.718 297 HE2 PHE 39 1HE PHE 39 4.771 1.444 15.506 298 HZ PHE 39 HZ PHE 39 5.966 2.260 13.506 299 H SER 40 H SER 40 1.906 8.253 15.278 300 HA SER 40 HA SER 40 0.332 9.818 17.258 301 HB2 SER 40 2HB SER 40 0.756 10.234 14.275 302 HB3 SER 40 3HB SER 40 0.005 11.373 15.408 303 HG SER 40 HG SER 40 2.315 11.702 14.865 304 H PHE 41 H PHE 41 -1.868 9.632 17.429 305 HA PHE 41 HA PHE 41 -3.469 7.601 16.437 306 HB2 PHE 41 2HB PHE 41 -4.025 10.357 17.499 307 HB3 PHE 41 3HB PHE 41 -5.334 9.558 16.666 308 HD1 PHE 41 2HD PHE 41 -6.160 7.291 17.403 309 HD2 PHE 41 1HD PHE 41 -3.531 9.734 19.802 310 HE1 PHE 41 2HE PHE 41 -6.824 6.023 19.432 311 HE2 PHE 41 1HE PHE 41 -4.202 8.456 21.824 312 HZ PHE 41 HZ PHE 41 -5.845 6.596 21.639 313 H LYS 42 H LYS 42 -3.179 10.788 14.981 314 HA LYS 42 HA LYS 42 -4.892 10.452 12.769 315 HB2 LYS 42 2HB LYS 42 -3.739 12.420 11.811 316 HB3 LYS 42 3HB LYS 42 -4.255 12.597 13.472 317 HG2 LYS 42 2HG LYS 42 -2.188 13.613 13.549 318 HG3 LYS 42 3HG LYS 42 -1.811 12.014 14.148 319 HD2 LYS 42 2HD LYS 42 -0.064 12.579 12.669 320 HD3 LYS 42 3HD LYS 42 -1.066 11.460 11.747 321 HE2 LYS 42 2HE LYS 42 -2.226 13.456 10.703 322 HE3 LYS 42 3HE LYS 42 -1.061 14.491 11.541 323 HZ1 LYS 42 3HZ LYS 42 -0.303 14.036 9.340 324 HZ2 LYS 42 1HZ LYS 42 -0.395 12.385 9.552 325 HZ3 LYS 42 2HZ LYS 42 0.711 13.251 10.376 326 H ASP 43 H ASP 43 -1.633 9.208 13.073 327 HA ASP 43 HA ASP 43 -1.471 8.579 10.169 328 HB2 ASP 43 2HB ASP 43 0.424 8.027 12.480 329 HB3 ASP 43 3HB ASP 43 0.681 7.464 10.832 330 H ILE 44 H ILE 44 -2.035 6.897 13.278 331 HA ILE 44 HA ILE 44 -2.143 4.269 12.122 332 HB ILE 44 HB ILE 44 -3.827 5.034 14.520 333 HG12 ILE 44 2HG1 ILE 44 -1.751 5.896 15.245 334 HG13 ILE 44 3HG1 ILE 44 -1.912 4.305 15.944 335 HG21 ILE 44 1HG2 ILE 44 -4.202 2.799 13.645 336 HG22 ILE 44 2HG2 ILE 44 -2.467 2.476 13.534 337 HG23 ILE 44 3HG2 ILE 44 -3.229 2.646 15.117 338 HD11 ILE 44 3HD1 ILE 44 -0.492 3.459 13.983 339 HD12 ILE 44 1HD1 ILE 44 -0.037 5.159 13.744 340 HD13 ILE 44 2HD1 ILE 44 0.291 4.331 15.286 341 H LYS 45 H LYS 45 -4.806 6.602 12.835 342 HA LYS 45 HA LYS 45 -6.811 4.946 11.607 343 HB2 LYS 45 2HB LYS 45 -8.319 6.730 11.756 344 HB3 LYS 45 3HB LYS 45 -7.314 6.730 13.190 345 HG2 LYS 45 2HG LYS 45 -7.595 8.975 12.678 346 HG3 LYS 45 3HG LYS 45 -5.966 8.611 12.123 347 HD2 LYS 45 2HD LYS 45 -6.458 9.224 9.994 348 HD3 LYS 45 3HD LYS 45 -7.891 8.202 9.955 349 HE2 LYS 45 2HE LYS 45 -8.518 10.450 9.491 350 HE3 LYS 45 3HE LYS 45 -9.234 9.948 11.023 351 HZ1 LYS 45 3HZ LYS 45 -6.718 11.517 10.879 352 HZ2 LYS 45 1HZ LYS 45 -7.678 11.264 12.210 353 HZ3 LYS 45 2HZ LYS 45 -8.190 12.211 10.988 354 H LYS 46 H LYS 46 -4.639 7.317 10.163 355 HA LYS 46 HA LYS 46 -5.833 7.316 7.553 356 HB2 LYS 46 2HB LYS 46 -4.285 9.082 8.219 357 HB3 LYS 46 3HB LYS 46 -2.978 7.915 8.425 358 HG2 LYS 46 2HG LYS 46 -2.655 9.117 6.358 359 HG3 LYS 46 3HG LYS 46 -2.992 7.434 6.009 360 HD2 LYS 46 2HD LYS 46 -5.542 8.666 5.922 361 HD3 LYS 46 3HD LYS 46 -4.479 9.877 5.238 362 HE2 LYS 46 2HE LYS 46 -4.588 6.956 4.352 363 HE3 LYS 46 3HE LYS 46 -5.540 8.242 3.607 364 HZ1 LYS 46 3HZ LYS 46 -3.476 9.352 2.976 365 HZ2 LYS 46 1HZ LYS 46 -3.494 7.841 2.370 366 HZ3 LYS 46 2HZ LYS 46 -2.567 8.180 3.670 367 H ILE 47 H ILE 47 -3.086 5.354 8.828 368 HA ILE 47 HA ILE 47 -2.921 3.878 6.362 369 HB ILE 47 HB ILE 47 -1.113 4.149 8.172 370 HG12 ILE 47 2HG1 ILE 47 -1.544 1.487 6.773 371 HG13 ILE 47 3HG1 ILE 47 -0.949 2.966 6.020 372 HG21 ILE 47 1HG2 ILE 47 -2.309 3.167 10.086 373 HG22 ILE 47 2HG2 ILE 47 -2.396 1.595 9.258 374 HG23 ILE 47 3HG2 ILE 47 -0.842 2.272 9.737 375 HD11 ILE 47 3HD1 ILE 47 0.470 1.290 8.107 376 HD12 ILE 47 1HD1 ILE 47 0.962 1.679 6.446 377 HD13 ILE 47 2HD1 ILE 47 0.973 2.949 7.676 378 H MET 48 H MET 48 -4.747 3.265 9.344 379 HA MET 48 HA MET 48 -5.841 0.723 8.670 380 HB2 MET 48 2HB MET 48 -6.832 3.040 10.358 381 HB3 MET 48 3HB MET 48 -7.813 1.600 10.120 382 HG2 MET 48 2HG MET 48 -4.959 1.435 11.119 383 HG3 MET 48 3HG MET 48 -6.340 1.653 12.196 384 HE1 MET 48 3HE MET 48 -4.064 -0.765 12.018 385 HE2 MET 48 1HE MET 48 -5.187 -0.553 13.379 386 HE3 MET 48 2HE MET 48 -5.068 -2.129 12.554 387 H GLU 49 H GLU 49 -7.386 3.974 8.096 388 HA GLU 49 HA GLU 49 -9.552 2.829 6.642 389 HB2 GLU 49 2HB GLU 49 -10.223 4.981 6.035 390 HB3 GLU 49 3HB GLU 49 -9.552 5.110 7.657 391 HG2 GLU 49 2HG GLU 49 -7.438 6.008 6.656 392 HG3 GLU 49 3HG GLU 49 -8.184 5.955 5.062 393 H GLU 50 H GLU 50 -6.407 4.038 5.433 394 HA GLU 50 HA GLU 50 -7.018 3.644 2.660 395 HB2 GLU 50 2HB GLU 50 -5.235 5.075 3.625 396 HB3 GLU 50 3HB GLU 50 -4.269 3.656 3.986 397 HG2 GLU 50 2HG GLU 50 -5.319 4.160 1.168 398 HG3 GLU 50 3HG GLU 50 -3.993 5.131 1.781 399 H LYS 51 H LYS 51 -5.356 1.475 5.005 400 HA LYS 51 HA LYS 51 -4.945 -0.762 3.323 401 HB2 LYS 51 2HB LYS 51 -3.989 -0.626 5.552 402 HB3 LYS 51 3HB LYS 51 -5.585 -0.593 6.295 403 HG2 LYS 51 2HG LYS 51 -4.633 -2.760 6.620 404 HG3 LYS 51 3HG LYS 51 -6.007 -2.908 5.543 405 HD2 LYS 51 2HD LYS 51 -4.497 -3.141 3.596 406 HD3 LYS 51 3HD LYS 51 -3.105 -2.783 4.621 407 HE2 LYS 51 2HE LYS 51 -3.112 -5.144 4.343 408 HE3 LYS 51 3HE LYS 51 -3.618 -4.807 5.998 409 HZ1 LYS 51 3HZ LYS 51 -5.066 -6.463 5.104 410 HZ2 LYS 51 1HZ LYS 51 -5.360 -5.634 3.731 411 HZ3 LYS 51 2HZ LYS 51 -5.976 -5.110 5.163 412 H ILE 52 H ILE 52 -7.801 -0.157 5.406 413 HA ILE 52 HA ILE 52 -9.273 -2.429 4.485 414 HB ILE 52 HB ILE 52 -10.298 0.178 5.664 415 HG12 ILE 52 2HG1 ILE 52 -9.899 -2.497 7.089 416 HG13 ILE 52 3HG1 ILE 52 -8.638 -1.280 7.052 417 HG21 ILE 52 1HG2 ILE 52 -12.326 -1.169 6.288 418 HG22 ILE 52 2HG2 ILE 52 -12.146 -1.026 4.549 419 HG23 ILE 52 3HG2 ILE 52 -11.681 -2.537 5.360 420 HD11 ILE 52 3HD1 ILE 52 -11.368 -1.004 8.341 421 HD12 ILE 52 1HD1 ILE 52 -9.768 -0.948 9.097 422 HD13 ILE 52 2HD1 ILE 52 -10.283 0.380 8.052 423 H GLN 53 H GLN 53 -9.352 0.968 3.296 424 HA GLN 53 HA GLN 53 -11.365 0.640 1.333 425 HB2 GLN 53 2HB GLN 53 -10.586 2.776 2.187 426 HB3 GLN 53 3HB GLN 53 -8.986 2.535 1.466 427 HG2 GLN 53 2HG GLN 53 -9.914 2.727 -0.777 428 HG3 GLN 53 3HG GLN 53 -11.568 2.724 -0.140 429 HE21 GLN 53 1HE2 GLN 53 -8.462 4.632 0.094 430 HE22 GLN 53 2HE2 GLN 53 -9.316 6.155 0.315 431 H ILE 54 H ILE 54 -7.811 0.285 0.952 432 HA ILE 54 HA ILE 54 -8.034 -0.396 -1.891 433 HB ILE 54 HB ILE 54 -5.692 -0.372 0.042 434 HG12 ILE 54 2HG1 ILE 54 -6.632 1.876 -0.381 435 HG13 ILE 54 3HG1 ILE 54 -5.011 1.689 -1.010 436 HG21 ILE 54 1HG2 ILE 54 -5.087 -1.914 -1.704 437 HG22 ILE 54 2HG2 ILE 54 -5.689 -0.822 -2.967 438 HG23 ILE 54 3HG2 ILE 54 -4.252 -0.394 -2.014 439 HD11 ILE 54 3HD1 ILE 54 -6.440 2.988 -2.521 440 HD12 ILE 54 1HD1 ILE 54 -5.901 1.501 -3.313 441 HD13 ILE 54 2HD1 ILE 54 -7.563 1.631 -2.683 442 H SER 55 H SER 55 -7.078 -2.237 1.023 443 HA SER 55 HA SER 55 -6.672 -4.728 -0.454 444 HB2 SER 55 2HB SER 55 -5.289 -3.938 1.468 445 HB3 SER 55 3HB SER 55 -6.695 -4.139 2.527 446 HG SER 55 HG SER 55 -5.411 -6.218 1.068 447 H GLY 56 H GLY 56 -9.317 -3.360 1.438 448 HA2 GLY 56 2HA GLY 56 -11.543 -4.079 1.416 449 HA3 GLY 56 3HA GLY 56 -11.056 -5.678 0.861 450 H SER 57 H SER 57 -9.010 -5.182 3.369 451 HA SER 57 HA SER 57 -10.819 -5.753 5.641 452 HB2 SER 57 2HB SER 57 -8.761 -7.730 4.576 453 HB3 SER 57 3HB SER 57 -9.353 -7.774 6.242 454 HG SER 57 HG SER 57 -11.073 -7.838 3.977 455 H ASN 58 H ASN 58 -9.708 -5.815 7.680 456 HA ASN 58 HA ASN 58 -7.817 -3.701 8.093 457 HB2 ASN 58 2HB ASN 58 -9.742 -4.694 9.589 458 HB3 ASN 58 3HB ASN 58 -8.533 -5.858 10.116 459 HD21 ASN 58 1HD2 ASN 58 -9.692 -2.558 10.365 460 HD22 ASN 58 2HD2 ASN 58 -8.430 -2.052 11.492 461 H TYR 59 H TYR 59 -5.937 -4.280 9.803 462 HA TYR 59 HA TYR 59 -3.914 -5.907 8.444 463 HB2 TYR 59 2HB TYR 59 -3.988 -4.152 10.922 464 HB3 TYR 59 3HB TYR 59 -2.632 -5.229 10.610 465 HD1 TYR 59 2HD TYR 59 -1.443 -5.145 8.388 466 HD2 TYR 59 1HD TYR 59 -4.036 -1.979 9.763 467 HE1 TYR 59 2HE TYR 59 -0.463 -3.613 6.702 468 HE2 TYR 59 1HE TYR 59 -3.027 -0.440 8.070 469 HH TYR 59 HH TYR 59 -0.477 -1.565 5.817 470 H LYS 60 H LYS 60 -2.891 -7.679 9.285 471 HA LYS 60 HA LYS 60 -4.577 -9.669 10.586 472 HB2 LYS 60 2HB LYS 60 -1.693 -9.672 9.588 473 HB3 LYS 60 3HB LYS 60 -2.462 -11.094 10.277 474 HG2 LYS 60 2HG LYS 60 -3.680 -9.605 7.912 475 HG3 LYS 60 3HG LYS 60 -2.433 -10.818 7.691 476 HD2 LYS 60 2HD LYS 60 -5.018 -11.397 9.199 477 HD3 LYS 60 3HD LYS 60 -4.887 -11.582 7.456 478 HE2 LYS 60 2HE LYS 60 -3.043 -13.002 9.431 479 HE3 LYS 60 3HE LYS 60 -4.557 -13.691 8.845 480 HZ1 LYS 60 3HZ LYS 60 -2.282 -12.922 7.095 481 HZ2 LYS 60 1HZ LYS 60 -3.693 -13.566 6.580 482 HZ3 LYS 60 2HZ LYS 60 -2.684 -14.447 7.509 483 H SER 61 H SER 61 -1.447 -8.279 11.459 484 HA SER 61 HA SER 61 -1.954 -8.568 14.372 485 HB2 SER 61 2HB SER 61 0.494 -9.704 12.943 486 HB3 SER 61 3HB SER 61 0.271 -9.615 14.699 487 HG SER 61 HG SER 61 -0.268 -11.680 13.872 488 H LEU 62 H LEU 62 -0.226 -7.436 15.642 489 HA LEU 62 HA LEU 62 0.192 -4.785 14.717 490 HB2 LEU 62 2HB LEU 62 1.521 -6.356 16.967 491 HB3 LEU 62 3HB LEU 62 1.896 -4.682 16.625 492 HG LEU 62 HG LEU 62 0.430 -4.722 18.454 493 HD11 LEU 62 1HD1 LEU 62 -1.243 -3.842 16.071 494 HD12 LEU 62 2HD1 LEU 62 0.078 -2.897 16.798 495 HD13 LEU 62 3HD1 LEU 62 -1.371 -3.278 17.737 496 HD21 LEU 62 3HD2 LEU 62 -1.797 -5.621 18.499 497 HD22 LEU 62 1HD2 LEU 62 -0.667 -6.914 18.070 498 HD23 LEU 62 2HD2 LEU 62 -1.686 -6.160 16.815 499 H GLU 63 H GLU 63 2.364 -7.580 14.464 500 HA GLU 63 HA GLU 63 4.748 -6.327 13.664 501 HB2 GLU 63 2HB GLU 63 3.526 -8.911 12.610 502 HB3 GLU 63 3HB GLU 63 5.193 -8.391 12.332 503 HG2 GLU 63 2HG GLU 63 5.562 -8.345 14.810 504 HG3 GLU 63 3HG GLU 63 3.944 -9.015 15.039 505 H VAL 64 H VAL 64 2.042 -7.261 11.514 506 HA VAL 64 HA VAL 64 3.221 -6.167 9.101 507 HB VAL 64 HB VAL 64 0.249 -6.600 9.599 508 HG11 VAL 64 1HG1 VAL 64 0.884 -5.372 7.509 509 HG12 VAL 64 2HG1 VAL 64 1.937 -6.720 7.055 510 HG13 VAL 64 3HG1 VAL 64 0.179 -6.955 7.164 511 HG21 VAL 64 3HG2 VAL 64 1.342 -8.719 10.153 512 HG22 VAL 64 1HG2 VAL 64 0.568 -8.852 8.574 513 HG23 VAL 64 2HG2 VAL 64 2.328 -8.629 8.675 514 H LEU 65 H LEU 65 0.862 -4.947 11.461 515 HA LEU 65 HA LEU 65 0.173 -2.515 10.229 516 HB2 LEU 65 2HB LEU 65 -0.667 -3.821 12.423 517 HB3 LEU 65 3HB LEU 65 0.420 -2.713 13.229 518 HG LEU 65 HG LEU 65 -2.168 -2.205 11.776 519 HD11 LEU 65 1HD1 LEU 65 -2.121 -2.534 14.210 520 HD12 LEU 65 2HD1 LEU 65 -2.603 -0.872 13.834 521 HD13 LEU 65 3HD1 LEU 65 -0.959 -1.206 14.389 522 HD21 LEU 65 3HD2 LEU 65 -0.082 -0.064 12.246 523 HD22 LEU 65 1HD2 LEU 65 -1.796 0.261 11.907 524 HD23 LEU 65 2HD2 LEU 65 -0.796 -0.527 10.687 525 H VAL 66 H VAL 66 2.683 -3.016 12.768 526 HA VAL 66 HA VAL 66 3.622 -0.297 12.649 527 HB VAL 66 HB VAL 66 5.325 -0.847 14.177 528 HG11 VAL 66 1HG1 VAL 66 3.979 -1.883 16.002 529 HG12 VAL 66 2HG1 VAL 66 3.118 -0.605 15.119 530 HG13 VAL 66 3HG1 VAL 66 2.737 -2.310 14.838 531 HG21 VAL 66 3HG2 VAL 66 6.277 -2.893 13.362 532 HG22 VAL 66 1HG2 VAL 66 5.716 -3.162 15.012 533 HG23 VAL 66 2HG2 VAL 66 4.774 -3.783 13.645 534 H ALA 67 H ALA 67 4.780 -3.232 11.008 535 HA ALA 67 HA ALA 67 7.128 -2.071 9.848 536 HB1 ALA 67 1HB ALA 67 5.277 -4.261 8.810 537 HB2 ALA 67 2HB ALA 67 6.902 -3.896 8.196 538 HB3 ALA 67 3HB ALA 67 6.699 -4.485 9.856 539 H ASP 68 H ASP 68 3.750 -2.299 8.587 540 HA ASP 68 HA ASP 68 4.265 -0.724 6.241 541 HB2 ASP 68 2HB ASP 68 1.742 -1.538 7.701 542 HB3 ASP 68 3HB ASP 68 1.711 -0.404 6.360 543 H LEU 69 H LEU 69 3.250 0.280 9.531 544 HA LEU 69 HA LEU 69 2.876 3.058 8.969 545 HB2 LEU 69 2HB LEU 69 3.760 1.548 11.436 546 HB3 LEU 69 3HB LEU 69 3.709 3.299 11.429 547 HG LEU 69 HG LEU 69 1.262 1.654 10.716 548 HD11 LEU 69 1HD1 LEU 69 0.546 1.925 13.016 549 HD12 LEU 69 2HD1 LEU 69 2.048 2.789 13.437 550 HD13 LEU 69 3HD1 LEU 69 2.068 1.068 13.006 551 HD21 LEU 69 3HD2 LEU 69 1.186 4.046 10.056 552 HD22 LEU 69 1HD2 LEU 69 1.653 4.523 11.702 553 HD23 LEU 69 2HD2 LEU 69 0.091 3.740 11.408 554 H VAL 70 H VAL 70 5.913 1.493 10.189 555 HA VAL 70 HA VAL 70 7.409 3.928 9.902 556 HB VAL 70 HB VAL 70 9.441 2.712 10.175 557 HG11 VAL 70 1HG1 VAL 70 7.387 1.508 12.033 558 HG12 VAL 70 2HG1 VAL 70 9.096 1.826 12.361 559 HG13 VAL 70 3HG1 VAL 70 7.978 3.184 12.145 560 HG21 VAL 70 3HG2 VAL 70 7.853 0.131 10.006 561 HG22 VAL 70 1HG2 VAL 70 9.043 0.686 8.815 562 HG23 VAL 70 2HG2 VAL 70 9.557 0.284 10.460 563 H ASN 71 H ASN 71 6.658 1.462 7.533 564 HA ASN 71 HA ASN 71 8.419 2.461 5.453 565 HB2 ASN 71 2HB ASN 71 7.453 0.184 5.456 566 HB3 ASN 71 3HB ASN 71 5.831 0.848 5.303 567 HD21 ASN 71 1HD2 ASN 71 5.066 1.250 3.200 568 HD22 ASN 71 2HD2 ASN 71 6.142 1.264 1.809 569 H ALA 72 H ALA 72 4.869 2.909 5.986 570 HA ALA 72 HA ALA 72 4.421 4.712 3.890 571 HB1 ALA 72 1HB ALA 72 2.664 3.455 5.044 572 HB2 ALA 72 2HB ALA 72 2.933 4.402 6.528 573 HB3 ALA 72 3HB ALA 72 2.307 5.191 5.063 574 H GLN 73 H GLN 73 5.424 5.470 7.242 575 HA GLN 73 HA GLN 73 5.280 8.349 6.738 576 HB2 GLN 73 2HB GLN 73 5.924 8.676 8.960 577 HB3 GLN 73 3HB GLN 73 4.831 7.308 8.928 578 HG2 GLN 73 2HG GLN 73 6.381 6.445 10.353 579 HG3 GLN 73 3HG GLN 73 7.111 5.900 8.845 580 HE21 GLN 73 1HE2 GLN 73 7.206 8.653 11.228 581 HE22 GLN 73 2HE2 GLN 73 8.922 8.942 10.966 582 H LYS 74 H LYS 74 7.710 5.988 6.058 583 HA LYS 74 HA LYS 74 9.885 7.976 5.707 584 HB2 LYS 74 2HB LYS 74 9.640 4.985 5.351 585 HB3 LYS 74 3HB LYS 74 10.832 5.853 4.389 586 HG2 LYS 74 2HG LYS 74 11.759 6.879 6.462 587 HG3 LYS 74 3HG LYS 74 10.678 5.874 7.428 588 HD2 LYS 74 2HD LYS 74 12.692 4.778 5.406 589 HD3 LYS 74 3HD LYS 74 13.092 5.040 7.096 590 HE2 LYS 74 2HE LYS 74 10.826 3.219 6.168 591 HE3 LYS 74 3HE LYS 74 12.480 2.668 6.460 592 HZ1 LYS 74 3HZ LYS 74 12.245 3.531 8.763 593 HZ2 LYS 74 1HZ LYS 74 11.202 2.321 8.434 594 HZ3 LYS 74 2HZ LYS 74 10.662 3.869 8.458 595 H ASP 75 H ASP 75 7.431 6.427 3.713 596 HA ASP 75 HA ASP 75 8.338 8.085 1.399 597 HB2 ASP 75 2HB ASP 75 7.754 6.392 -0.133 598 HB3 ASP 75 3HB ASP 75 8.881 5.772 1.055 599 H SER 76 H SER 76 6.594 9.104 3.285 600 HA SER 76 HA SER 76 3.872 9.293 2.500 601 HB2 SER 76 2HB SER 76 4.012 11.527 3.650 602 HB3 SER 76 3HB SER 76 4.603 10.162 4.613 603 HG SER 76 HG SER 76 5.987 12.092 4.576 604 H MET 77 H MET 77 2.839 11.252 1.529 605 HA MET 77 HA MET 77 4.333 12.301 -0.837 606 HB2 MET 77 2HB MET 77 1.580 11.007 -0.952 607 HB3 MET 77 3HB MET 77 2.496 11.691 -2.299 608 HG2 MET 77 2HG MET 77 4.311 9.962 -1.796 609 HG3 MET 77 3HG MET 77 3.173 9.223 -0.673 610 HE1 MET 77 3HE MET 77 4.424 9.535 -4.258 611 HE2 MET 77 1HE MET 77 3.032 9.109 -5.276 612 HE3 MET 77 2HE MET 77 3.058 10.665 -4.416 613 H GLN 78 H GLN 78 3.210 13.996 -1.995 614 HA GLN 78 HA GLN 78 2.236 16.066 -0.176 615 HB2 GLN 78 2HB GLN 78 2.823 16.076 -3.164 616 HB3 GLN 78 3HB GLN 78 2.388 17.499 -2.205 617 HG2 GLN 78 2HG GLN 78 4.392 17.166 -0.781 618 HG3 GLN 78 3HG GLN 78 4.880 15.790 -1.772 619 HE21 GLN 78 1HE2 GLN 78 5.730 18.925 -1.306 620 HE22 GLN 78 2HE2 GLN 78 6.164 19.325 -2.964 621 H ASP 79 H ASP 79 0.281 14.645 0.284 622 HA ASP 79 HA ASP 79 -1.986 14.663 -1.528 623 HB2 ASP 79 2HB ASP 79 -1.654 14.321 1.464 624 HB3 ASP 79 3HB ASP 79 -3.256 14.468 0.745 625 H GLU 80 H GLU 80 -3.620 16.082 -1.822 626 HA GLU 80 HA GLU 80 -3.241 18.887 -1.246 627 HB2 GLU 80 2HB GLU 80 -4.344 17.921 -3.299 628 HB3 GLU 80 3HB GLU 80 -5.705 17.430 -2.295 629 HG2 GLU 80 2HG GLU 80 -6.320 19.459 -3.377 630 HG3 GLU 80 3HG GLU 80 -6.056 19.863 -1.687 631 H SER 81 H SER 81 -3.751 19.942 0.586 632 HA SER 81 HA SER 81 -5.957 18.999 2.351 633 HB2 SER 81 2HB SER 81 -3.815 17.947 3.087 634 HB3 SER 81 3HB SER 81 -3.138 19.566 3.327 635 HG SER 81 HG SER 81 -5.344 18.346 4.671 636 H SER 82 H SER 82 -7.257 20.608 2.787 637 HA SER 82 HA SER 82 -6.812 23.347 2.156 638 HB2 SER 82 2HB SER 82 -8.955 23.693 3.440 639 HB3 SER 82 3HB SER 82 -9.028 22.517 2.123 640 HG SER 82 HG SER 82 -8.716 21.888 4.892 641 H GLN 83 H GLN 83 -6.184 25.072 3.289 642 HA GLN 83 HA GLN 83 -4.762 24.693 5.823 643 HB2 GLN 83 2HB GLN 83 -5.195 27.191 4.131 644 HB3 GLN 83 3HB GLN 83 -4.091 27.038 5.499 645 HG2 GLN 83 2HG GLN 83 -3.901 25.545 2.840 646 HG3 GLN 83 3HG GLN 83 -2.884 26.872 3.376 647 HE21 GLN 83 1HE2 GLN 83 -3.176 23.391 3.352 648 HE22 GLN 83 2HE2 GLN 83 -1.855 23.143 4.485 649 H THR 84 H THR 84 -6.405 24.180 7.331 650 HA THR 84 HA THR 84 -8.621 25.933 7.956 651 HB THR 84 HB THR 84 -8.586 24.714 10.175 652 HG1 THR 84 1HG THR 84 -6.449 24.107 10.328 653 HG21 THR 84 3HG2 THR 84 -9.922 23.905 8.253 654 HG22 THR 84 1HG2 THR 84 -9.303 22.573 9.243 655 HG23 THR 84 2HG2 THR 84 -8.532 22.952 7.687 656 H SER 85 H SER 85 -8.844 27.139 9.994 657 HA SER 85 HA SER 85 -8.360 28.949 11.256 658 HB2 SER 85 2HB SER 85 -5.627 27.685 11.639 659 HB3 SER 85 3HB SER 85 -6.403 28.873 12.694 660 HG SER 85 HG SER 85 -7.996 27.360 13.202 661 H LEU 86 H LEU 86 -7.607 29.132 8.331 662 HA LEU 86 HA LEU 86 -5.368 30.833 7.992 663 HB2 LEU 86 2HB LEU 86 -6.178 31.226 5.785 664 HB3 LEU 86 3HB LEU 86 -6.515 29.570 6.221 665 HG LEU 86 HG LEU 86 -8.934 30.587 6.859 666 HD11 LEU 86 1HD1 LEU 86 -9.634 32.303 5.244 667 HD12 LEU 86 2HD1 LEU 86 -7.980 32.422 4.608 668 HD13 LEU 86 3HD1 LEU 86 -8.351 32.964 6.251 669 HD21 LEU 86 3HD2 LEU 86 -9.702 30.021 4.579 670 HD22 LEU 86 1HD2 LEU 86 -8.574 28.821 5.210 671 HD23 LEU 86 2HD2 LEU 86 -8.013 30.010 4.015 672 H GLN 87 H GLN 87 -8.556 31.670 9.125 673 HA GLN 87 HA GLN 87 -8.484 34.475 8.463 674 HB2 GLN 87 2HB GLN 87 -10.540 33.076 8.788 675 HB3 GLN 87 3HB GLN 87 -10.210 33.045 10.526 676 HG2 GLN 87 2HG GLN 87 -10.382 35.539 10.580 677 HG3 GLN 87 3HG GLN 87 -10.660 35.552 8.836 678 HE21 GLN 87 1HE2 GLN 87 -12.836 35.426 8.148 679 HE22 GLN 87 2HE2 GLN 87 -14.136 34.951 9.236 680 H LYS 88 H LYS 88 -7.360 36.022 9.406 681 HA LYS 88 HA LYS 88 -6.780 36.006 12.321 682 HB2 LYS 88 2HB LYS 88 -4.437 36.502 12.019 683 HB3 LYS 88 3HB LYS 88 -4.844 35.000 11.224 684 HG2 LYS 88 2HG LYS 88 -3.418 35.954 9.709 685 HG3 LYS 88 3HG LYS 88 -4.979 36.387 9.019 686 HD2 LYS 88 2HD LYS 88 -4.733 38.697 9.917 687 HD3 LYS 88 3HD LYS 88 -3.275 38.208 10.785 688 HE2 LYS 88 2HE LYS 88 -2.582 39.414 8.857 689 HE3 LYS 88 3HE LYS 88 -2.162 37.719 8.608 690 HZ1 LYS 88 3HZ LYS 88 -4.559 39.056 7.448 691 HZ2 LYS 88 1HZ LYS 88 -4.114 37.506 7.171 692 HZ3 LYS 88 2HZ LYS 88 -3.184 38.729 6.631 693 H GLU 89 H GLU 89 -5.929 38.071 13.092 694 HA GLU 89 HA GLU 89 -7.265 40.419 11.804 695 HB2 GLU 89 2HB GLU 89 -6.171 40.014 14.618 696 HB3 GLU 89 3HB GLU 89 -6.862 41.519 13.992 697 HG2 GLU 89 2HG GLU 89 -9.015 40.342 13.551 698 HG3 GLU 89 3HG GLU 89 -8.342 38.860 14.232 699 H ILE 90 H ILE 90 -6.078 42.003 10.894 700 HA ILE 90 HA ILE 90 -3.307 41.598 10.289 701 HB ILE 90 HB ILE 90 -5.061 44.046 9.859 702 HG12 ILE 90 2HG1 ILE 90 -4.291 41.759 7.977 703 HG13 ILE 90 3HG1 ILE 90 -5.865 41.949 8.743 704 HG21 ILE 90 1HG2 ILE 90 -2.655 44.644 9.775 705 HG22 ILE 90 2HG2 ILE 90 -2.353 43.317 8.627 706 HG23 ILE 90 3HG2 ILE 90 -3.355 44.713 8.176 707 HD11 ILE 90 3HD1 ILE 90 -4.674 43.767 6.627 708 HD12 ILE 90 1HD1 ILE 90 -6.080 42.705 6.502 709 HD13 ILE 90 2HD1 ILE 90 -6.155 44.138 7.546 710 H SER 91 H SER 91 -1.757 41.734 11.725 711 HA SER 91 HA SER 91 -1.739 43.804 13.849 712 HB2 SER 91 2HB SER 91 -0.372 42.199 15.108 713 HB3 SER 91 3HB SER 91 -1.929 41.528 14.616 714 HG SER 91 HG SER 91 0.645 40.997 13.538 715 H THR 92 H THR 92 -0.766 44.383 11.177 716 HA THR 92 HA THR 92 2.131 44.398 11.155 717 HB THR 92 HB THR 92 0.674 44.466 9.144 718 HG1 THR 92 1HG THR 92 2.081 45.764 8.021 719 HG21 THR 92 3HG2 THR 92 -0.200 46.534 8.279 720 HG22 THR 92 1HG2 THR 92 0.416 47.459 9.663 721 HG23 THR 92 2HG2 THR 92 -0.907 46.294 9.882 722 H GLU 93 H GLU 93 -0.230 46.686 12.461 723 HA GLU 93 HA GLU 93 1.603 48.900 12.672 724 HB2 GLU 93 2HB GLU 93 -0.086 50.003 13.979 725 HB3 GLU 93 3HB GLU 93 -0.761 49.250 12.550 726 HG2 GLU 93 2HG GLU 93 -2.345 48.379 13.830 727 HG3 GLU 93 3HG GLU 93 -1.158 47.274 14.481 728 H GLU 94 H GLU 94 1.011 46.176 14.902 729 HA GLU 94 HA GLU 94 2.561 47.184 17.081 730 HB2 GLU 94 2HB GLU 94 2.112 44.325 16.097 731 HB3 GLU 94 3HB GLU 94 3.003 44.753 17.545 732 HG2 GLU 94 2HG GLU 94 0.996 44.314 18.468 733 HG3 GLU 94 3HG GLU 94 0.891 46.058 18.294 734 H GLN 95 H GLN 95 3.612 45.649 14.030 735 HA GLN 95 HA GLN 95 6.423 45.502 14.791 736 HB2 GLN 95 2HB GLN 95 5.195 45.557 12.002 737 HB3 GLN 95 3HB GLN 95 6.872 45.195 12.405 738 HG2 GLN 95 2HG GLN 95 6.031 43.278 13.843 739 HG3 GLN 95 3HG GLN 95 4.426 43.539 13.152 740 HE21 GLN 95 1HE2 GLN 95 6.777 41.364 12.879 741 HE22 GLN 95 2HE2 GLN 95 6.784 41.132 11.134 742 H LEU 96 H LEU 96 4.420 47.975 13.177 743 HA LEU 96 HA LEU 96 6.481 49.803 12.494 744 HB2 LEU 96 2HB LEU 96 3.891 49.881 12.013 745 HB3 LEU 96 3HB LEU 96 3.791 50.695 13.571 746 HG LEU 96 HG LEU 96 5.648 52.294 12.584 747 HD11 LEU 96 1HD1 LEU 96 4.389 51.191 10.031 748 HD12 LEU 96 2HD1 LEU 96 6.070 50.923 10.537 749 HD13 LEU 96 3HD1 LEU 96 5.516 52.559 10.143 750 HD21 LEU 96 3HD2 LEU 96 3.906 53.724 11.572 751 HD22 LEU 96 1HD2 LEU 96 3.381 53.030 13.113 752 HD23 LEU 96 2HD2 LEU 96 2.771 52.351 11.585 753 H ARG 97 H ARG 97 4.706 49.448 15.561 754 HA ARG 97 HA ARG 97 6.043 51.535 16.984 755 HB2 ARG 97 2HB ARG 97 3.869 50.265 17.623 756 HB3 ARG 97 3HB ARG 97 4.919 48.994 18.247 757 HG2 ARG 97 2HG ARG 97 4.323 50.356 20.114 758 HG3 ARG 97 3HG ARG 97 6.000 50.754 19.750 759 HD2 ARG 97 2HD ARG 97 5.017 52.736 18.342 760 HD3 ARG 97 3HD ARG 97 3.487 52.346 19.108 761 HE ARG 97 HE ARG 97 4.240 53.279 21.099 762 HH11 ARG 97 1HH1 ARG 97 7.094 52.885 19.084 763 HH12 ARG 97 2HH1 ARG 97 8.011 54.024 20.014 764 HH21 ARG 97 1HH2 ARG 97 5.487 54.675 22.269 765 HH22 ARG 97 2HH2 ARG 97 7.132 54.981 21.797 766 H ARG 98 H ARG 98 6.893 48.125 16.661 767 HA ARG 98 HA ARG 98 9.219 48.139 18.383 768 HB2 ARG 98 2HB ARG 98 7.973 46.106 17.573 769 HB3 ARG 98 3HB ARG 98 8.677 46.349 15.971 770 HG2 ARG 98 2HG ARG 98 10.962 46.117 16.949 771 HG3 ARG 98 3HG ARG 98 10.249 45.850 18.545 772 HD2 ARG 98 2HD ARG 98 9.786 44.105 16.086 773 HD3 ARG 98 3HD ARG 98 10.960 43.764 17.368 774 HE ARG 98 HE ARG 98 8.472 44.081 18.650 775 HH11 ARG 98 1HH1 ARG 98 9.872 41.788 16.416 776 HH12 ARG 98 2HH1 ARG 98 8.844 40.488 16.957 777 HH21 ARG 98 1HH2 ARG 98 7.185 42.399 19.296 778 HH22 ARG 98 2HH2 ARG 98 7.363 40.839 18.552 779 H LEU 99 H LEU 99 8.895 48.641 14.886 780 HA LEU 99 HA LEU 99 11.673 49.033 14.297 781 HB2 LEU 99 2HB LEU 99 9.116 49.901 12.897 782 HB3 LEU 99 3HB LEU 99 10.710 50.161 12.203 783 HG LEU 99 HG LEU 99 9.704 47.384 12.965 784 HD11 LEU 99 1HD1 LEU 99 9.608 48.783 10.260 785 HD12 LEU 99 2HD1 LEU 99 8.207 48.371 11.275 786 HD13 LEU 99 3HD1 LEU 99 9.196 47.081 10.577 787 HD21 LEU 99 3HD2 LEU 99 12.148 47.543 12.718 788 HD22 LEU 99 1HD2 LEU 99 11.949 48.314 11.129 789 HD23 LEU 99 2HD2 LEU 99 11.437 46.632 11.384 790 H GLN 100 H GLN 100 9.127 51.452 15.002 791 HA GLN 100 HA GLN 100 10.941 53.724 14.780 792 HB2 GLN 100 2HB GLN 100 8.088 53.410 15.777 793 HB3 GLN 100 3HB GLN 100 8.939 54.952 15.788 794 HG2 GLN 100 2HG GLN 100 8.441 53.264 13.297 795 HG3 GLN 100 3HG GLN 100 7.485 54.658 13.782 796 HE21 GLN 100 1HE2 GLN 100 9.253 54.174 11.306 797 HE22 GLN 100 2HE2 GLN 100 10.319 55.576 11.335 798 H GLU 101 H GLU 101 12.650 53.370 16.149 799 HA GLU 101 HA GLU 101 12.139 53.876 19.046 800 HB2 GLU 101 2HB GLU 101 12.639 51.467 18.651 801 HB3 GLU 101 3HB GLU 101 14.171 51.920 17.910 802 HG2 GLU 101 2HG GLU 101 14.633 51.251 20.150 803 HG3 GLU 101 3HG GLU 101 14.855 52.992 20.096 804 H GLU 102 H GLU 102 12.819 55.890 19.353 805 HA GLU 102 HA GLU 102 15.069 57.134 17.986 806 HB2 GLU 102 2HB GLU 102 13.076 58.393 18.766 807 HB3 GLU 102 3HB GLU 102 13.467 57.986 20.435 808 HG2 GLU 102 2HG GLU 102 14.173 60.234 20.019 809 HG3 GLU 102 3HG GLU 102 15.614 59.256 20.221 810 H LYS 103 H LYS 103 17.145 56.757 18.450 811 HA LYS 103 HA LYS 103 18.067 55.296 20.775 812 HB2 LYS 103 2HB LYS 103 20.310 55.685 19.923 813 HB3 LYS 103 3HB LYS 103 19.221 55.144 18.644 814 HG2 LYS 103 2HG LYS 103 19.084 57.410 17.723 815 HG3 LYS 103 3HG LYS 103 19.965 58.061 19.104 816 HD2 LYS 103 2HD LYS 103 21.475 58.017 17.323 817 HD3 LYS 103 3HD LYS 103 21.990 56.745 18.414 818 HE2 LYS 103 2HE LYS 103 20.271 56.228 15.938 819 HE3 LYS 103 3HE LYS 103 22.028 56.340 15.858 820 HZ1 LYS 103 3HZ LYS 103 21.388 54.052 16.077 821 HZ2 LYS 103 1HZ LYS 103 20.542 54.319 17.440 822 HZ3 LYS 103 2HZ LYS 103 22.172 54.486 17.437 823 H LEU 104 H LEU 104 19.619 55.981 22.327 824 HA LEU 104 HA LEU 104 19.625 58.829 23.160 825 HB2 LEU 104 2HB LEU 104 17.657 57.441 24.143 826 HB3 LEU 104 3HB LEU 104 18.865 56.646 25.139 827 HG LEU 104 HG LEU 104 18.294 59.648 25.074 828 HD11 LEU 104 1HD1 LEU 104 17.183 59.264 27.235 829 HD12 LEU 104 2HD1 LEU 104 17.498 57.518 27.103 830 HD13 LEU 104 3HD1 LEU 104 16.408 58.325 25.953 831 HD21 LEU 104 3HD2 LEU 104 20.014 57.990 26.970 832 HD22 LEU 104 1HD2 LEU 104 19.540 59.684 27.241 833 HD23 LEU 104 2HD2 LEU 104 20.567 59.277 25.870 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 7.300 19.348 -18.473 2 H2 GLY 1 2H GLY 1 7.985 20.824 -18.644 3 H3 GLY 1 3H GLY 1 6.515 20.681 -17.928 4 HA2 GLY 1 2HA GLY 1 8.015 21.041 -16.169 5 HA3 GLY 1 3HA GLY 1 7.559 19.326 -16.142 6 H SER 2 H SER 2 9.748 19.714 -14.840 7 HA SER 2 HA SER 2 11.792 18.352 -16.438 8 HB2 SER 2 2HB SER 2 12.294 20.879 -16.564 9 HB3 SER 2 3HB SER 2 12.617 20.794 -14.826 10 HG SER 2 HG SER 2 13.980 19.555 -16.991 11 H ALA 3 H ALA 3 13.410 17.324 -15.076 12 HA ALA 3 HA ALA 3 12.323 16.358 -12.519 13 HB1 ALA 3 1HB ALA 3 14.250 14.813 -12.622 14 HB2 ALA 3 2HB ALA 3 13.336 14.805 -14.141 15 HB3 ALA 3 3HB ALA 3 14.882 15.681 -14.038 16 H MET 4 H MET 4 13.432 16.409 -10.531 17 HA MET 4 HA MET 4 15.602 18.408 -10.096 18 HB2 MET 4 2HB MET 4 12.919 18.328 -8.654 19 HB3 MET 4 3HB MET 4 14.326 19.197 -8.056 20 HG2 MET 4 2HG MET 4 12.907 19.720 -10.692 21 HG3 MET 4 3HG MET 4 12.726 20.665 -9.223 22 HE1 MET 4 3HE MET 4 14.495 22.342 -8.248 23 HE2 MET 4 1HE MET 4 15.706 21.044 -8.099 24 HE3 MET 4 2HE MET 4 16.131 22.566 -8.908 25 H ALA 5 H ALA 5 17.199 17.374 -9.112 26 HA ALA 5 HA ALA 5 16.856 14.916 -7.576 27 HB1 ALA 5 1HB ALA 5 19.310 15.046 -7.369 28 HB2 ALA 5 2HB ALA 5 18.787 15.254 -9.051 29 HB3 ALA 5 3HB ALA 5 19.297 16.667 -8.098 30 H ASP 6 H ASP 6 15.317 15.910 -6.046 31 HA ASP 6 HA ASP 6 16.703 17.022 -3.640 32 HB2 ASP 6 2HB ASP 6 15.708 18.878 -4.914 33 HB3 ASP 6 3HB ASP 6 14.129 18.096 -4.842 34 H ILE 7 H ILE 7 16.662 14.948 -2.816 35 HA ILE 7 HA ILE 7 14.074 13.635 -2.210 36 HB ILE 7 HB ILE 7 15.446 11.700 -1.578 37 HG12 ILE 7 2HG1 ILE 7 17.869 13.344 -2.452 38 HG13 ILE 7 3HG1 ILE 7 17.468 12.942 -0.781 39 HG21 ILE 7 1HG2 ILE 7 16.194 12.791 -4.323 40 HG22 ILE 7 2HG2 ILE 7 16.081 11.087 -3.833 41 HG23 ILE 7 3HG2 ILE 7 14.623 12.077 -3.900 42 HD11 ILE 7 3HD1 ILE 7 19.166 11.424 -1.551 43 HD12 ILE 7 1HD1 ILE 7 17.658 10.508 -1.348 44 HD13 ILE 7 2HD1 ILE 7 18.218 10.973 -2.976 45 H GLY 8 H GLY 8 15.814 15.914 -0.615 46 HA2 GLY 8 2HA GLY 8 15.717 14.778 2.115 47 HA3 GLY 8 3HA GLY 8 16.351 16.348 1.643 48 H SER 9 H SER 9 13.980 14.943 3.374 49 HA SER 9 HA SER 9 12.428 17.453 3.542 50 HB2 SER 9 2HB SER 9 11.066 14.729 3.403 51 HB3 SER 9 3HB SER 9 10.282 16.293 3.677 52 HG SER 9 HG SER 9 11.201 16.901 1.571 53 H GLU 10 H GLU 10 11.429 17.729 5.617 54 HA GLU 10 HA GLU 10 12.570 16.000 7.803 55 HB2 GLU 10 2HB GLU 10 12.470 19.040 7.788 56 HB3 GLU 10 3HB GLU 10 12.977 18.005 9.114 57 HG2 GLU 10 2HG GLU 10 15.002 18.648 8.248 58 HG3 GLU 10 3HG GLU 10 14.778 17.062 7.525 59 H PHE 11 H PHE 11 10.111 18.567 7.230 60 HA PHE 11 HA PHE 11 8.498 17.708 9.524 61 HB2 PHE 11 2HB PHE 11 8.881 20.103 8.576 62 HB3 PHE 11 3HB PHE 11 7.699 19.675 7.366 63 HD1 PHE 11 1HD PHE 11 8.211 19.725 11.089 64 HD2 PHE 11 2HD PHE 11 5.424 20.152 7.823 65 HE1 PHE 11 1HE PHE 11 6.454 20.466 12.683 66 HE2 PHE 11 2HE PHE 11 3.676 20.901 9.418 67 HZ PHE 11 HZ PHE 11 4.187 21.061 11.848 68 H GLU 12 H GLU 12 5.990 17.571 8.920 69 HA GLU 12 HA GLU 12 5.439 16.086 6.435 70 HB2 GLU 12 2HB GLU 12 4.837 14.916 9.189 71 HB3 GLU 12 3HB GLU 12 4.118 14.357 7.677 72 HG2 GLU 12 2HG GLU 12 6.389 13.798 6.811 73 HG3 GLU 12 3HG GLU 12 7.079 14.265 8.374 74 H LYS 13 H LYS 13 3.386 16.350 5.702 75 HA LYS 13 HA LYS 13 1.570 18.258 7.101 76 HB2 LYS 13 2HB LYS 13 1.457 17.057 4.297 77 HB3 LYS 13 3HB LYS 13 0.335 18.251 4.955 78 HG2 LYS 13 2HG LYS 13 2.269 19.840 5.275 79 HG3 LYS 13 3HG LYS 13 3.325 18.653 4.513 80 HD2 LYS 13 2HD LYS 13 2.757 20.261 2.837 81 HD3 LYS 13 3HD LYS 13 1.960 18.745 2.443 82 HE2 LYS 13 2HE LYS 13 0.406 20.505 2.000 83 HE3 LYS 13 3HE LYS 13 -0.179 19.641 3.419 84 HZ1 LYS 13 3HZ LYS 13 1.317 22.215 3.474 85 HZ2 LYS 13 1HZ LYS 13 0.756 21.438 4.798 86 HZ3 LYS 13 2HZ LYS 13 -0.287 22.057 3.709 87 H THR 14 H THR 14 -0.749 17.811 7.167 88 HA THR 14 HA THR 14 -1.478 15.130 8.049 89 HB THR 14 HB THR 14 -3.844 16.213 7.962 90 HG1 THR 14 1HG THR 14 -3.804 18.459 7.970 91 HG21 THR 14 3HG2 THR 14 -2.589 15.880 10.050 92 HG22 THR 14 1HG2 THR 14 -3.453 17.421 10.070 93 HG23 THR 14 2HG2 THR 14 -1.698 17.394 9.777 94 HA PRO 15 HA PRO 15 -2.854 13.546 4.139 95 HB2 PRO 15 2HB PRO 15 -4.834 11.790 4.844 96 HB3 PRO 15 3HB PRO 15 -3.102 11.528 5.231 97 HG2 PRO 15 2HG PRO 15 -5.242 12.693 7.037 98 HG3 PRO 15 3HG PRO 15 -4.076 11.379 7.402 99 HD2 PRO 15 2HD PRO 15 -3.578 13.934 8.144 100 HD3 PRO 15 3HD PRO 15 -2.261 12.895 7.512 101 H SER 16 H SER 16 -4.372 13.781 2.559 102 HA SER 16 HA SER 16 -6.969 15.164 3.076 103 HB2 SER 16 2HB SER 16 -6.426 16.725 1.230 104 HB3 SER 16 3HB SER 16 -5.296 16.859 2.586 105 HG SER 16 HG SER 16 -4.195 16.805 0.576 106 H LEU 17 H LEU 17 -5.769 12.439 1.892 107 HA LEU 17 HA LEU 17 -6.487 12.256 -0.825 108 HB2 LEU 17 2HB LEU 17 -4.935 10.783 0.554 109 HB3 LEU 17 3HB LEU 17 -6.367 10.029 1.249 110 HG LEU 17 HG LEU 17 -7.027 9.322 -1.116 111 HD11 LEU 17 1HD1 LEU 17 -4.175 10.233 -1.726 112 HD12 LEU 17 2HD1 LEU 17 -5.659 10.933 -2.413 113 HD13 LEU 17 3HD1 LEU 17 -5.208 9.270 -2.804 114 HD21 LEU 17 3HD2 LEU 17 -5.956 7.809 0.488 115 HD22 LEU 17 1HD2 LEU 17 -4.348 8.352 -0.045 116 HD23 LEU 17 2HD2 LEU 17 -5.417 7.473 -1.162 117 H THR 18 H THR 18 -8.440 11.609 2.033 118 HA THR 18 HA THR 18 -10.938 11.699 0.542 119 HB THR 18 HB THR 18 -10.249 9.318 0.295 120 HG1 THR 18 1HG THR 18 -12.348 9.603 0.129 121 HG21 THR 18 3HG2 THR 18 -10.756 9.060 3.282 122 HG22 THR 18 1HG2 THR 18 -9.164 8.940 2.497 123 HG23 THR 18 2HG2 THR 18 -10.430 7.759 2.124 124 H ARG 19 H ARG 19 -12.654 10.831 2.461 125 HA ARG 19 HA ARG 19 -12.886 12.994 4.345 126 HB2 ARG 19 2HB ARG 19 -14.850 11.887 5.090 127 HB3 ARG 19 3HB ARG 19 -14.713 11.479 3.384 128 HG2 ARG 19 2HG ARG 19 -13.468 9.307 4.284 129 HG3 ARG 19 3HG ARG 19 -14.208 9.747 5.826 130 HD2 ARG 19 2HD ARG 19 -15.736 8.232 4.880 131 HD3 ARG 19 3HD ARG 19 -16.454 9.808 4.571 132 HE ARG 19 HE ARG 19 -16.150 9.492 2.276 133 HH11 ARG 19 1HH1 ARG 19 -14.275 7.016 3.887 134 HH12 ARG 19 2HH1 ARG 19 -13.885 6.210 2.392 135 HH21 ARG 19 1HH2 ARG 19 -15.612 8.426 0.410 136 HH22 ARG 19 2HH2 ARG 19 -14.631 6.993 0.483 137 H ARG 20 H ARG 20 -13.120 12.674 6.727 138 HA ARG 20 HA ARG 20 -10.941 10.947 7.841 139 HB2 ARG 20 2HB ARG 20 -10.808 12.508 9.761 140 HB3 ARG 20 3HB ARG 20 -10.178 13.095 8.241 141 HG2 ARG 20 2HG ARG 20 -12.938 13.907 9.239 142 HG3 ARG 20 3HG ARG 20 -11.457 14.675 9.797 143 HD2 ARG 20 2HD ARG 20 -10.875 15.081 7.328 144 HD3 ARG 20 3HD ARG 20 -12.557 14.702 6.966 145 HE ARG 20 HE ARG 20 -11.476 17.112 8.184 146 HH11 ARG 20 1HH1 ARG 20 -14.458 15.280 8.054 147 HH12 ARG 20 2HH1 ARG 20 -15.419 16.659 8.512 148 HH21 ARG 20 1HH2 ARG 20 -12.740 18.803 8.774 149 HH22 ARG 20 2HH2 ARG 20 -14.462 18.600 8.911 150 H ILE 21 H ILE 21 -11.613 9.204 8.725 151 HA ILE 21 HA ILE 21 -14.056 9.193 10.426 152 HB ILE 21 HB ILE 21 -14.478 8.014 8.397 153 HG12 ILE 21 2HG1 ILE 21 -14.142 6.054 10.707 154 HG13 ILE 21 3HG1 ILE 21 -15.418 7.270 10.583 155 HG21 ILE 21 1HG2 ILE 21 -13.325 6.041 7.629 156 HG22 ILE 21 2HG2 ILE 21 -12.131 7.322 7.795 157 HG23 ILE 21 3HG2 ILE 21 -12.239 6.047 9.027 158 HD11 ILE 21 3HD1 ILE 21 -16.198 6.196 8.457 159 HD12 ILE 21 1HD1 ILE 21 -15.001 4.901 8.717 160 HD13 ILE 21 2HD1 ILE 21 -16.310 5.146 9.883 161 H ASP 22 H ASP 22 -13.563 9.160 12.473 162 HA ASP 22 HA ASP 22 -11.106 7.838 13.459 163 HB2 ASP 22 2HB ASP 22 -11.432 9.072 15.454 164 HB3 ASP 22 3HB ASP 22 -11.673 10.170 14.107 165 H ASP 23 H ASP 23 -14.386 6.944 13.084 166 HA ASP 23 HA ASP 23 -14.944 5.426 15.396 167 HB2 ASP 23 2HB ASP 23 -15.719 4.930 12.495 168 HB3 ASP 23 3HB ASP 23 -16.403 4.058 13.862 169 H THR 24 H THR 24 -12.811 4.581 12.726 170 HA THR 24 HA THR 24 -12.533 1.819 13.162 171 HB THR 24 HB THR 24 -10.350 3.663 12.145 172 HG1 THR 24 1HG THR 24 -11.356 3.372 10.141 173 HG21 THR 24 3HG2 THR 24 -11.075 0.746 11.603 174 HG22 THR 24 1HG2 THR 24 -9.568 1.368 12.312 175 HG23 THR 24 2HG2 THR 24 -9.944 1.684 10.610 176 H ILE 25 H ILE 25 -11.158 4.461 15.013 177 HA ILE 25 HA ILE 25 -9.074 3.042 16.430 178 HB ILE 25 HB ILE 25 -10.774 5.473 17.057 179 HG12 ILE 25 2HG1 ILE 25 -7.773 5.501 16.772 180 HG13 ILE 25 3HG1 ILE 25 -8.716 5.302 15.299 181 HG21 ILE 25 1HG2 ILE 25 -10.259 4.578 19.241 182 HG22 ILE 25 2HG2 ILE 25 -8.557 4.332 18.783 183 HG23 ILE 25 3HG2 ILE 25 -9.229 5.971 18.942 184 HD11 ILE 25 3HD1 ILE 25 -9.842 7.411 15.666 185 HD12 ILE 25 1HD1 ILE 25 -9.062 7.612 17.254 186 HD13 ILE 25 2HD1 ILE 25 -8.092 7.654 15.766 187 H PHE 26 H PHE 26 -12.581 3.402 17.018 188 HA PHE 26 HA PHE 26 -12.492 1.965 19.540 189 HB2 PHE 26 2HB PHE 26 -14.336 3.634 18.233 190 HB3 PHE 26 3HB PHE 26 -15.130 2.076 18.240 191 HD1 PHE 26 2HD PHE 26 -14.442 0.842 20.815 192 HD2 PHE 26 1HD PHE 26 -15.240 4.987 19.897 193 HE1 PHE 26 2HE PHE 26 -15.088 1.242 23.168 194 HE2 PHE 26 1HE PHE 26 -15.906 5.371 22.254 195 HZ PHE 26 HZ PHE 26 -15.822 3.505 23.897 196 H GLN 27 H GLN 27 -13.466 1.055 16.210 197 HA GLN 27 HA GLN 27 -14.403 -1.542 16.981 198 HB2 GLN 27 2HB GLN 27 -14.942 -1.893 14.778 199 HB3 GLN 27 3HB GLN 27 -14.977 -0.138 14.897 200 HG2 GLN 27 2HG GLN 27 -12.583 -0.175 13.937 201 HG3 GLN 27 3HG GLN 27 -12.805 -1.896 13.669 202 HE21 GLN 27 1HE2 GLN 27 -12.484 -1.563 11.349 203 HE22 GLN 27 2HE2 GLN 27 -13.804 -0.867 10.414 204 H ASN 28 H ASN 28 -11.164 -0.499 16.451 205 HA ASN 28 HA ASN 28 -10.191 -3.298 16.104 206 HB2 ASN 28 2HB ASN 28 -10.295 -1.390 14.141 207 HB3 ASN 28 3HB ASN 28 -8.682 -1.113 14.746 208 HD21 ASN 28 1HD2 ASN 28 -7.153 -3.008 14.675 209 HD22 ASN 28 2HD2 ASN 28 -7.503 -4.208 13.437 210 HA PRO 29 HA PRO 29 -8.402 -1.546 19.912 211 HB2 PRO 29 2HB PRO 29 -7.714 -3.867 21.225 212 HB3 PRO 29 3HB PRO 29 -9.380 -3.225 21.121 213 HG2 PRO 29 2HG PRO 29 -8.088 -5.334 19.365 214 HG3 PRO 29 3HG PRO 29 -9.676 -5.409 20.194 215 HD2 PRO 29 2HD PRO 29 -9.480 -4.717 17.587 216 HD3 PRO 29 3HD PRO 29 -10.646 -3.878 18.658 217 H MET 30 H MET 30 -6.730 -3.563 17.648 218 HA MET 30 HA MET 30 -4.018 -3.398 18.484 219 HB2 MET 30 2HB MET 30 -5.280 -3.234 15.716 220 HB3 MET 30 3HB MET 30 -3.546 -3.373 16.007 221 HG2 MET 30 2HG MET 30 -3.767 -5.531 17.003 222 HG3 MET 30 3HG MET 30 -5.522 -5.420 17.053 223 HE1 MET 30 3HE MET 30 -2.515 -5.171 14.509 224 HE2 MET 30 1HE MET 30 -3.268 -5.708 12.993 225 HE3 MET 30 2HE MET 30 -3.725 -4.149 13.694 226 H VAL 31 H VAL 31 -6.131 -0.834 17.272 227 HA VAL 31 HA VAL 31 -4.153 1.010 16.402 228 HB VAL 31 HB VAL 31 -6.931 1.510 17.547 229 HG11 VAL 31 1HG1 VAL 31 -5.819 3.607 17.814 230 HG12 VAL 31 2HG1 VAL 31 -4.932 3.425 16.285 231 HG13 VAL 31 3HG1 VAL 31 -6.671 3.716 16.266 232 HG21 VAL 31 3HG2 VAL 31 -6.860 0.252 15.395 233 HG22 VAL 31 1HG2 VAL 31 -7.517 1.870 15.162 234 HG23 VAL 31 2HG2 VAL 31 -5.846 1.523 14.695 235 H GLN 32 H GLN 32 -5.680 0.768 19.642 236 HA GLN 32 HA GLN 32 -4.296 2.922 20.823 237 HB2 GLN 32 2HB GLN 32 -5.164 0.369 22.234 238 HB3 GLN 32 3HB GLN 32 -4.903 1.947 22.971 239 HG2 GLN 32 2HG GLN 32 -7.128 1.223 21.006 240 HG3 GLN 32 3HG GLN 32 -7.285 1.437 22.739 241 HE21 GLN 32 1HE2 GLN 32 -7.883 3.518 23.464 242 HE22 GLN 32 2HE2 GLN 32 -7.793 4.924 22.408 243 H GLU 33 H GLU 33 -3.290 -0.469 20.609 244 HA GLU 33 HA GLU 33 -0.848 -0.263 22.100 245 HB2 GLU 33 2HB GLU 33 -1.989 -2.377 21.647 246 HB3 GLU 33 3HB GLU 33 -1.761 -2.170 19.922 247 HG2 GLU 33 2HG GLU 33 -0.208 -3.811 20.818 248 HG3 GLU 33 3HG GLU 33 0.651 -2.441 20.131 249 H ALA 34 H ALA 34 -1.541 0.401 18.642 250 HA ALA 34 HA ALA 34 1.221 0.724 17.874 251 HB1 ALA 34 1HB ALA 34 0.342 1.736 15.865 252 HB2 ALA 34 2HB ALA 34 -0.631 0.311 16.276 253 HB3 ALA 34 3HB ALA 34 -1.260 1.939 16.600 254 H ILE 35 H ILE 35 -1.278 3.177 18.822 255 HA ILE 35 HA ILE 35 0.523 5.414 18.841 256 HB ILE 35 HB ILE 35 -1.997 4.936 20.471 257 HG12 ILE 35 2HG1 ILE 35 -2.384 7.147 18.810 258 HG13 ILE 35 3HG1 ILE 35 -1.366 6.140 17.799 259 HG21 ILE 35 1HG2 ILE 35 -1.951 7.365 21.009 260 HG22 ILE 35 2HG2 ILE 35 -0.647 6.488 21.787 261 HG23 ILE 35 3HG2 ILE 35 -0.310 7.469 20.339 262 HD11 ILE 35 3HD1 ILE 35 -3.952 5.223 19.149 263 HD12 ILE 35 1HD1 ILE 35 -3.815 5.748 17.457 264 HD13 ILE 35 2HD1 ILE 35 -2.964 4.310 17.994 265 H ARG 36 H ARG 36 -0.179 3.054 21.411 266 HA ARG 36 HA ARG 36 1.363 4.177 23.481 267 HB2 ARG 36 2HB ARG 36 -0.256 2.280 23.641 268 HB3 ARG 36 3HB ARG 36 0.955 1.215 22.915 269 HG2 ARG 36 2HG ARG 36 2.468 1.630 24.829 270 HG3 ARG 36 3HG ARG 36 1.274 2.735 25.539 271 HD2 ARG 36 2HD ARG 36 -0.347 0.899 25.733 272 HD3 ARG 36 3HD ARG 36 0.761 -0.213 24.928 273 HE ARG 36 HE ARG 36 0.867 0.712 27.710 274 HH11 ARG 36 1HH1 ARG 36 2.741 -0.856 25.211 275 HH12 ARG 36 2HH1 ARG 36 3.947 -1.423 26.335 276 HH21 ARG 36 1HH2 ARG 36 2.398 -0.069 29.100 277 HH22 ARG 36 2HH2 ARG 36 3.732 -1.004 28.491 278 H MET 37 H MET 37 2.618 2.402 20.688 279 HA MET 37 HA MET 37 5.322 2.177 21.808 280 HB2 MET 37 2HB MET 37 4.454 1.924 18.904 281 HB3 MET 37 3HB MET 37 6.022 1.503 19.599 282 HG2 MET 37 2HG MET 37 4.459 -0.009 21.194 283 HG3 MET 37 3HG MET 37 3.428 0.055 19.768 284 HE1 MET 37 3HE MET 37 6.396 0.254 17.703 285 HE2 MET 37 1HE MET 37 6.101 -1.371 17.065 286 HE3 MET 37 2HE MET 37 4.742 -0.237 17.278 287 H GLY 38 H GLY 38 3.639 4.851 20.504 288 HA2 GLY 38 2HA GLY 38 4.806 6.978 20.879 289 HA3 GLY 38 3HA GLY 38 6.200 6.343 20.013 290 H PHE 39 H PHE 39 3.660 5.259 18.192 291 HA PHE 39 HA PHE 39 3.871 7.297 16.119 292 HB2 PHE 39 2HB PHE 39 1.934 5.011 16.588 293 HB3 PHE 39 3HB PHE 39 1.933 6.018 15.145 294 HD1 PHE 39 2HD PHE 39 4.060 6.082 13.680 295 HD2 PHE 39 1HD PHE 39 3.283 3.035 16.633 296 HE1 PHE 39 2HE PHE 39 5.631 4.539 12.523 297 HE2 PHE 39 1HE PHE 39 4.832 1.503 15.471 298 HZ PHE 39 HZ PHE 39 6.002 2.241 13.417 299 H SER 40 H SER 40 2.123 8.687 15.342 300 HA SER 40 HA SER 40 0.469 9.876 17.480 301 HB2 SER 40 2HB SER 40 0.649 10.534 14.512 302 HB3 SER 40 3HB SER 40 -0.182 11.491 15.744 303 HG SER 40 HG SER 40 1.844 11.825 16.773 304 H PHE 41 H PHE 41 -1.790 9.943 17.516 305 HA PHE 41 HA PHE 41 -3.332 7.738 16.753 306 HB2 PHE 41 2HB PHE 41 -3.888 10.502 17.709 307 HB3 PHE 41 3HB PHE 41 -5.194 9.779 16.800 308 HD1 PHE 41 2HD PHE 41 -6.160 7.556 17.461 309 HD2 PHE 41 1HD PHE 41 -3.473 9.774 20.006 310 HE1 PHE 41 2HE PHE 41 -6.906 6.224 19.416 311 HE2 PHE 41 1HE PHE 41 -4.233 8.441 21.960 312 HZ PHE 41 HZ PHE 41 -5.943 6.658 21.664 313 H LYS 42 H LYS 42 -3.116 10.792 15.033 314 HA LYS 42 HA LYS 42 -4.761 10.387 12.821 315 HB2 LYS 42 2HB LYS 42 -3.739 12.491 13.366 316 HB3 LYS 42 3HB LYS 42 -2.117 11.874 13.082 317 HG2 LYS 42 2HG LYS 42 -4.169 11.846 10.857 318 HG3 LYS 42 3HG LYS 42 -3.401 13.364 11.284 319 HD2 LYS 42 2HD LYS 42 -1.660 10.952 10.616 320 HD3 LYS 42 3HD LYS 42 -2.438 11.871 9.376 321 HE2 LYS 42 2HE LYS 42 -0.349 12.854 9.492 322 HE3 LYS 42 3HE LYS 42 -1.351 13.978 10.416 323 HZ1 LYS 42 3HZ LYS 42 0.343 11.830 11.600 324 HZ2 LYS 42 1HZ LYS 42 -0.470 12.983 12.449 325 HZ3 LYS 42 2HZ LYS 42 0.789 13.403 11.503 326 H ASP 43 H ASP 43 -1.417 9.245 13.170 327 HA ASP 43 HA ASP 43 -1.067 8.391 10.456 328 HB2 ASP 43 2HB ASP 43 0.295 7.215 12.906 329 HB3 ASP 43 3HB ASP 43 0.854 7.146 11.243 330 H ILE 44 H ILE 44 -2.156 6.673 13.374 331 HA ILE 44 HA ILE 44 -2.264 4.096 12.114 332 HB ILE 44 HB ILE 44 -3.965 4.710 14.524 333 HG12 ILE 44 2HG1 ILE 44 -1.972 5.749 15.271 334 HG13 ILE 44 3HG1 ILE 44 -2.070 4.157 15.994 335 HG21 ILE 44 1HG2 ILE 44 -4.117 2.494 13.522 336 HG22 ILE 44 2HG2 ILE 44 -2.359 2.306 13.521 337 HG23 ILE 44 3HG2 ILE 44 -3.234 2.363 15.052 338 HD11 ILE 44 3HD1 ILE 44 0.169 4.413 15.433 339 HD12 ILE 44 1HD1 ILE 44 -0.471 3.341 14.202 340 HD13 ILE 44 2HD1 ILE 44 -0.172 5.045 13.810 341 H LYS 45 H LYS 45 -4.906 6.369 13.017 342 HA LYS 45 HA LYS 45 -6.980 4.842 11.759 343 HB2 LYS 45 2HB LYS 45 -8.377 6.841 11.864 344 HB3 LYS 45 3HB LYS 45 -7.549 6.485 13.364 345 HG2 LYS 45 2HG LYS 45 -7.285 8.752 13.326 346 HG3 LYS 45 3HG LYS 45 -5.787 8.243 12.579 347 HD2 LYS 45 2HD LYS 45 -6.505 10.045 11.269 348 HD3 LYS 45 3HD LYS 45 -6.954 8.644 10.300 349 HE2 LYS 45 2HE LYS 45 -9.276 8.781 11.290 350 HE3 LYS 45 3HE LYS 45 -8.775 10.280 12.097 351 HZ1 LYS 45 3HZ LYS 45 -8.860 9.776 9.168 352 HZ2 LYS 45 1HZ LYS 45 -8.207 11.135 9.831 353 HZ3 LYS 45 2HZ LYS 45 -9.800 10.826 10.027 354 H LYS 46 H LYS 46 -4.804 7.262 10.342 355 HA LYS 46 HA LYS 46 -5.948 7.268 7.719 356 HB2 LYS 46 2HB LYS 46 -4.428 9.013 8.318 357 HB3 LYS 46 3HB LYS 46 -3.145 7.867 8.702 358 HG2 LYS 46 2HG LYS 46 -2.701 8.995 6.590 359 HG3 LYS 46 3HG LYS 46 -2.867 7.259 6.375 360 HD2 LYS 46 2HD LYS 46 -5.320 7.756 5.646 361 HD3 LYS 46 3HD LYS 46 -4.832 9.440 5.548 362 HE2 LYS 46 2HE LYS 46 -3.517 7.081 4.118 363 HE3 LYS 46 3HE LYS 46 -4.734 8.129 3.385 364 HZ1 LYS 46 3HZ LYS 46 -2.464 8.757 2.762 365 HZ2 LYS 46 1HZ LYS 46 -2.057 9.048 4.310 366 HZ3 LYS 46 2HZ LYS 46 -3.183 9.980 3.558 367 H ILE 47 H ILE 47 -3.193 5.261 8.973 368 HA ILE 47 HA ILE 47 -3.049 3.882 6.460 369 HB ILE 47 HB ILE 47 -1.221 4.062 8.216 370 HG12 ILE 47 2HG1 ILE 47 -1.686 1.369 6.876 371 HG13 ILE 47 3HG1 ILE 47 -1.188 2.841 6.037 372 HG21 ILE 47 1HG2 ILE 47 -2.374 3.103 10.153 373 HG22 ILE 47 2HG2 ILE 47 -2.562 1.545 9.325 374 HG23 ILE 47 3HG2 ILE 47 -0.960 2.143 9.754 375 HD11 ILE 47 3HD1 ILE 47 0.403 1.312 8.111 376 HD12 ILE 47 1HD1 ILE 47 0.785 1.626 6.403 377 HD13 ILE 47 2HD1 ILE 47 0.820 2.959 7.565 378 H MET 48 H MET 48 -4.977 3.188 9.353 379 HA MET 48 HA MET 48 -5.949 0.636 8.438 380 HB2 MET 48 2HB MET 48 -7.177 2.646 10.373 381 HB3 MET 48 3HB MET 48 -7.844 1.053 9.997 382 HG2 MET 48 2HG MET 48 -5.250 0.377 10.558 383 HG3 MET 48 3HG MET 48 -5.480 1.743 11.644 384 HE1 MET 48 3HE MET 48 -4.806 -0.101 13.503 385 HE2 MET 48 1HE MET 48 -5.744 -1.579 13.800 386 HE3 MET 48 2HE MET 48 -4.819 -1.403 12.293 387 H GLU 49 H GLU 49 -7.492 3.918 8.096 388 HA GLU 49 HA GLU 49 -9.695 2.911 6.579 389 HB2 GLU 49 2HB GLU 49 -10.213 5.169 5.972 390 HB3 GLU 49 3HB GLU 49 -9.730 5.109 7.666 391 HG2 GLU 49 2HG GLU 49 -7.461 5.894 6.982 392 HG3 GLU 49 3HG GLU 49 -8.018 6.044 5.327 393 H GLU 50 H GLU 50 -6.472 4.009 5.459 394 HA GLU 50 HA GLU 50 -7.003 3.535 2.657 395 HB2 GLU 50 2HB GLU 50 -4.539 3.915 4.342 396 HB3 GLU 50 3HB GLU 50 -4.332 3.141 2.779 397 HG2 GLU 50 2HG GLU 50 -5.750 5.810 3.111 398 HG3 GLU 50 3HG GLU 50 -4.027 5.625 2.774 399 H LYS 51 H LYS 51 -5.462 1.380 5.112 400 HA LYS 51 HA LYS 51 -4.948 -0.776 3.375 401 HB2 LYS 51 2HB LYS 51 -4.028 -0.626 5.631 402 HB3 LYS 51 3HB LYS 51 -5.634 -0.775 6.343 403 HG2 LYS 51 2HG LYS 51 -4.423 -2.869 6.544 404 HG3 LYS 51 3HG LYS 51 -5.826 -3.063 5.521 405 HD2 LYS 51 2HD LYS 51 -4.401 -2.992 3.501 406 HD3 LYS 51 3HD LYS 51 -2.965 -2.732 4.504 407 HE2 LYS 51 2HE LYS 51 -3.288 -4.904 5.596 408 HE3 LYS 51 3HE LYS 51 -4.823 -5.141 4.749 409 HZ1 LYS 51 3HZ LYS 51 -3.587 -5.215 2.644 410 HZ2 LYS 51 1HZ LYS 51 -3.050 -6.360 3.656 411 HZ3 LYS 51 2HZ LYS 51 -2.158 -5.010 3.433 412 H ILE 52 H ILE 52 -7.902 -0.194 5.269 413 HA ILE 52 HA ILE 52 -9.375 -2.473 4.315 414 HB ILE 52 HB ILE 52 -10.354 0.213 5.351 415 HG12 ILE 52 2HG1 ILE 52 -10.287 -2.489 6.766 416 HG13 ILE 52 3HG1 ILE 52 -8.957 -1.349 6.883 417 HG21 ILE 52 1HG2 ILE 52 -12.534 -0.977 5.749 418 HG22 ILE 52 2HG2 ILE 52 -12.161 -0.847 4.041 419 HG23 ILE 52 3HG2 ILE 52 -11.898 -2.389 4.882 420 HD11 ILE 52 3HD1 ILE 52 -10.348 -1.086 8.831 421 HD12 ILE 52 1HD1 ILE 52 -10.497 0.370 7.832 422 HD13 ILE 52 2HD1 ILE 52 -11.796 -0.847 7.852 423 H GLN 53 H GLN 53 -9.279 0.907 3.051 424 HA GLN 53 HA GLN 53 -11.146 0.467 0.953 425 HB2 GLN 53 2HB GLN 53 -10.416 2.663 1.952 426 HB3 GLN 53 3HB GLN 53 -8.898 2.523 1.072 427 HG2 GLN 53 2HG GLN 53 -10.439 4.001 -0.097 428 HG3 GLN 53 3HG GLN 53 -10.141 2.568 -1.080 429 HE21 GLN 53 1HE2 GLN 53 -12.476 3.527 1.576 430 HE22 GLN 53 2HE2 GLN 53 -13.871 2.900 0.699 431 H ILE 54 H ILE 54 -7.575 0.480 0.811 432 HA ILE 54 HA ILE 54 -7.425 -0.121 -2.027 433 HB ILE 54 HB ILE 54 -5.327 -0.142 0.177 434 HG12 ILE 54 2HG1 ILE 54 -6.286 2.097 -0.173 435 HG13 ILE 54 3HG1 ILE 54 -4.605 2.009 -0.648 436 HG21 ILE 54 1HG2 ILE 54 -4.457 -1.525 -1.590 437 HG22 ILE 54 2HG2 ILE 54 -4.954 -0.362 -2.835 438 HG23 ILE 54 3HG2 ILE 54 -3.658 0.043 -1.689 439 HD11 ILE 54 3HD1 ILE 54 -6.978 2.007 -2.568 440 HD12 ILE 54 1HD1 ILE 54 -5.918 3.376 -2.202 441 HD13 ILE 54 2HD1 ILE 54 -5.261 1.964 -3.040 442 H SER 55 H SER 55 -6.696 -2.076 0.902 443 HA SER 55 HA SER 55 -6.046 -4.424 -0.746 444 HB2 SER 55 2HB SER 55 -4.864 -3.522 1.374 445 HB3 SER 55 3HB SER 55 -6.161 -4.330 2.274 446 HG SER 55 HG SER 55 -5.524 -6.281 1.107 447 H GLY 56 H GLY 56 -8.824 -3.311 1.030 448 HA2 GLY 56 2HA GLY 56 -10.992 -4.174 0.788 449 HA3 GLY 56 3HA GLY 56 -10.352 -5.753 0.342 450 H SER 57 H SER 57 -8.558 -5.270 2.967 451 HA SER 57 HA SER 57 -10.535 -5.639 5.120 452 HB2 SER 57 2HB SER 57 -9.520 -7.762 5.877 453 HB3 SER 57 3HB SER 57 -10.297 -7.919 4.296 454 HG SER 57 HG SER 57 -8.240 -8.928 4.342 455 H ASN 58 H ASN 58 -9.604 -5.508 7.245 456 HA ASN 58 HA ASN 58 -7.323 -3.678 7.391 457 HB2 ASN 58 2HB ASN 58 -9.512 -3.539 8.742 458 HB3 ASN 58 3HB ASN 58 -8.921 -4.907 9.679 459 HD21 ASN 58 1HD2 ASN 58 -8.081 -1.507 8.703 460 HD22 ASN 58 2HD2 ASN 58 -7.208 -1.260 10.220 461 H TYR 59 H TYR 59 -5.648 -4.009 9.128 462 HA TYR 59 HA TYR 59 -4.091 -6.396 8.878 463 HB2 TYR 59 2HB TYR 59 -4.050 -4.196 10.985 464 HB3 TYR 59 3HB TYR 59 -2.756 -5.341 10.672 465 HD1 TYR 59 2HD TYR 59 -1.954 -5.421 8.096 466 HD2 TYR 59 1HD TYR 59 -3.851 -2.046 10.009 467 HE1 TYR 59 2HE TYR 59 -0.936 -3.896 6.421 468 HE2 TYR 59 1HE TYR 59 -2.842 -0.529 8.298 469 HH TYR 59 HH TYR 59 -0.616 -1.756 5.786 470 H LYS 60 H LYS 60 -3.590 -7.947 10.448 471 HA LYS 60 HA LYS 60 -5.594 -8.452 12.644 472 HB2 LYS 60 2HB LYS 60 -4.368 -10.400 10.654 473 HB3 LYS 60 3HB LYS 60 -5.245 -10.891 12.113 474 HG2 LYS 60 2HG LYS 60 -7.283 -9.816 11.355 475 HG3 LYS 60 3HG LYS 60 -6.462 -9.152 9.941 476 HD2 LYS 60 2HD LYS 60 -7.804 -11.026 9.294 477 HD3 LYS 60 3HD LYS 60 -6.112 -11.404 9.019 478 HE2 LYS 60 2HE LYS 60 -7.554 -12.297 11.554 479 HE3 LYS 60 3HE LYS 60 -7.749 -13.181 10.042 480 HZ1 LYS 60 3HZ LYS 60 -5.981 -14.160 11.322 481 HZ2 LYS 60 1HZ LYS 60 -5.152 -12.764 11.415 482 HZ3 LYS 60 2HZ LYS 60 -5.338 -13.514 9.972 483 H SER 61 H SER 61 -2.371 -7.832 12.175 484 HA SER 61 HA SER 61 -1.698 -8.758 14.897 485 HB2 SER 61 2HB SER 61 -0.875 -10.583 13.478 486 HB3 SER 61 3HB SER 61 -0.025 -9.426 12.436 487 HG SER 61 HG SER 61 1.277 -10.471 14.110 488 H LEU 62 H LEU 62 -0.097 -7.484 15.868 489 HA LEU 62 HA LEU 62 0.197 -4.763 14.927 490 HB2 LEU 62 2HB LEU 62 1.642 -6.347 17.099 491 HB3 LEU 62 3HB LEU 62 2.002 -4.675 16.727 492 HG LEU 62 HG LEU 62 0.657 -4.688 18.645 493 HD11 LEU 62 1HD1 LEU 62 0.185 -2.889 16.992 494 HD12 LEU 62 2HD1 LEU 62 -1.200 -3.266 18.026 495 HD13 LEU 62 3HD1 LEU 62 -1.173 -3.854 16.363 496 HD21 LEU 62 3HD2 LEU 62 -0.453 -6.888 18.379 497 HD22 LEU 62 1HD2 LEU 62 -1.550 -6.169 17.172 498 HD23 LEU 62 2HD2 LEU 62 -1.566 -5.592 18.847 499 H GLU 63 H GLU 63 2.130 -7.665 14.447 500 HA GLU 63 HA GLU 63 4.602 -6.527 13.683 501 HB2 GLU 63 2HB GLU 63 3.213 -9.032 12.643 502 HB3 GLU 63 3HB GLU 63 4.900 -8.631 12.334 503 HG2 GLU 63 2HG GLU 63 3.690 -9.086 15.100 504 HG3 GLU 63 3HG GLU 63 4.586 -10.278 14.170 505 H VAL 64 H VAL 64 1.925 -7.434 11.472 506 HA VAL 64 HA VAL 64 3.134 -6.164 9.164 507 HB VAL 64 HB VAL 64 1.574 -7.987 8.898 508 HG11 VAL 64 1HG1 VAL 64 -0.038 -7.633 10.673 509 HG12 VAL 64 2HG1 VAL 64 -0.601 -6.124 9.924 510 HG13 VAL 64 3HG1 VAL 64 -0.868 -7.682 9.118 511 HG21 VAL 64 3HG2 VAL 64 1.885 -6.400 7.054 512 HG22 VAL 64 1HG2 VAL 64 0.256 -7.096 7.053 513 HG23 VAL 64 2HG2 VAL 64 0.514 -5.438 7.632 514 H LEU 65 H LEU 65 0.832 -5.030 11.618 515 HA LEU 65 HA LEU 65 0.069 -2.609 10.391 516 HB2 LEU 65 2HB LEU 65 -0.553 -3.895 12.743 517 HB3 LEU 65 3HB LEU 65 0.435 -2.596 13.361 518 HG LEU 65 HG LEU 65 -2.251 -2.524 11.994 519 HD11 LEU 65 1HD1 LEU 65 -1.063 -1.170 14.453 520 HD12 LEU 65 2HD1 LEU 65 -2.051 -2.637 14.447 521 HD13 LEU 65 3HD1 LEU 65 -2.760 -1.090 13.958 522 HD21 LEU 65 3HD2 LEU 65 -0.434 -0.103 12.218 523 HD22 LEU 65 1HD2 LEU 65 -2.181 -0.044 11.897 524 HD23 LEU 65 2HD2 LEU 65 -1.096 -0.784 10.720 525 H VAL 66 H VAL 66 2.692 -3.101 12.811 526 HA VAL 66 HA VAL 66 3.610 -0.375 12.654 527 HB VAL 66 HB VAL 66 5.376 -0.931 14.117 528 HG11 VAL 66 1HG1 VAL 66 2.777 -2.336 14.859 529 HG12 VAL 66 2HG1 VAL 66 4.069 -1.967 15.985 530 HG13 VAL 66 3HG1 VAL 66 3.225 -0.649 15.148 531 HG21 VAL 66 3HG2 VAL 66 5.770 -3.245 14.946 532 HG22 VAL 66 1HG2 VAL 66 4.765 -3.863 13.624 533 HG23 VAL 66 2HG2 VAL 66 6.267 -2.996 13.271 534 H ALA 67 H ALA 67 4.669 -3.297 10.974 535 HA ALA 67 HA ALA 67 6.984 -2.180 9.695 536 HB1 ALA 67 1HB ALA 67 6.514 -4.592 9.769 537 HB2 ALA 67 2HB ALA 67 5.052 -4.361 8.783 538 HB3 ALA 67 3HB ALA 67 6.655 -4.035 8.090 539 H ASP 68 H ASP 68 3.553 -2.421 8.564 540 HA ASP 68 HA ASP 68 3.974 -0.852 6.195 541 HB2 ASP 68 2HB ASP 68 1.513 -1.669 7.756 542 HB3 ASP 68 3HB ASP 68 1.426 -0.514 6.440 543 H LEU 69 H LEU 69 3.031 0.133 9.514 544 HA LEU 69 HA LEU 69 2.570 2.885 9.007 545 HB2 LEU 69 2HB LEU 69 3.605 1.386 11.413 546 HB3 LEU 69 3HB LEU 69 3.543 3.136 11.427 547 HG LEU 69 HG LEU 69 1.070 1.506 10.779 548 HD11 LEU 69 1HD1 LEU 69 1.985 2.530 13.504 549 HD12 LEU 69 2HD1 LEU 69 1.907 0.824 13.009 550 HD13 LEU 69 3HD1 LEU 69 0.429 1.752 13.122 551 HD21 LEU 69 3HD2 LEU 69 1.496 4.340 11.847 552 HD22 LEU 69 1HD2 LEU 69 -0.071 3.562 11.565 553 HD23 LEU 69 2HD2 LEU 69 0.987 3.919 10.197 554 H VAL 70 H VAL 70 5.752 1.483 10.089 555 HA VAL 70 HA VAL 70 7.098 3.974 9.664 556 HB VAL 70 HB VAL 70 9.215 2.838 9.692 557 HG11 VAL 70 1HG1 VAL 70 9.105 1.946 11.926 558 HG12 VAL 70 2HG1 VAL 70 7.967 3.298 11.805 559 HG13 VAL 70 3HG1 VAL 70 7.370 1.620 11.769 560 HG21 VAL 70 3HG2 VAL 70 9.427 0.412 10.028 561 HG22 VAL 70 1HG2 VAL 70 7.695 0.204 9.719 562 HG23 VAL 70 2HG2 VAL 70 8.776 0.776 8.429 563 H ASN 71 H ASN 71 6.550 1.305 7.377 564 HA ASN 71 HA ASN 71 8.043 2.348 5.192 565 HB2 ASN 71 2HB ASN 71 7.195 0.049 5.308 566 HB3 ASN 71 3HB ASN 71 5.532 0.625 5.262 567 HD21 ASN 71 1HD2 ASN 71 4.581 0.568 3.242 568 HD22 ASN 71 2HD2 ASN 71 5.507 0.620 1.747 569 H ALA 72 H ALA 72 4.554 2.873 5.976 570 HA ALA 72 HA ALA 72 4.061 4.679 3.795 571 HB1 ALA 72 1HB ALA 72 2.311 3.362 4.938 572 HB2 ALA 72 2HB ALA 72 2.589 4.282 6.435 573 HB3 ALA 72 3HB ALA 72 1.947 5.097 4.992 574 H GLN 73 H GLN 73 5.281 5.210 7.073 575 HA GLN 73 HA GLN 73 5.106 8.112 7.009 576 HB2 GLN 73 2HB GLN 73 6.670 6.145 8.717 577 HB3 GLN 73 3HB GLN 73 6.775 7.884 8.941 578 HG2 GLN 73 2HG GLN 73 4.148 6.337 9.104 579 HG3 GLN 73 3HG GLN 73 5.169 6.715 10.488 580 HE21 GLN 73 1HE2 GLN 73 5.624 9.147 10.858 581 HE22 GLN 73 2HE2 GLN 73 4.348 10.244 10.369 582 H LYS 74 H LYS 74 7.424 5.867 5.634 583 HA LYS 74 HA LYS 74 9.485 7.927 5.130 584 HB2 LYS 74 2HB LYS 74 9.181 5.189 3.824 585 HB3 LYS 74 3HB LYS 74 10.579 6.250 3.750 586 HG2 LYS 74 2HG LYS 74 10.182 5.935 6.511 587 HG3 LYS 74 3HG LYS 74 9.775 4.349 5.828 588 HD2 LYS 74 2HD LYS 74 11.967 4.251 4.705 589 HD3 LYS 74 3HD LYS 74 12.378 5.848 5.380 590 HE2 LYS 74 2HE LYS 74 12.037 4.934 7.683 591 HE3 LYS 74 3HE LYS 74 11.698 3.344 6.993 592 HZ1 LYS 74 3HZ LYS 74 13.961 3.330 6.083 593 HZ2 LYS 74 1HZ LYS 74 14.017 3.540 7.699 594 HZ3 LYS 74 2HZ LYS 74 14.271 4.809 6.707 595 H ASP 75 H ASP 75 10.187 8.117 2.746 596 HA ASP 75 HA ASP 75 9.844 9.262 0.813 597 HB2 ASP 75 2HB ASP 75 8.291 6.795 0.690 598 HB3 ASP 75 3HB ASP 75 7.571 7.997 -0.345 599 H SER 76 H SER 76 8.804 10.586 3.021 600 HA SER 76 HA SER 76 6.247 11.610 2.911 601 HB2 SER 76 2HB SER 76 8.431 13.458 3.791 602 HB3 SER 76 3HB SER 76 6.922 13.009 4.595 603 HG SER 76 HG SER 76 8.801 12.168 5.643 604 H MET 77 H MET 77 5.397 13.698 2.390 605 HA MET 77 HA MET 77 6.094 14.757 -0.222 606 HB2 MET 77 2HB MET 77 4.251 15.766 1.988 607 HB3 MET 77 3HB MET 77 4.408 16.548 0.419 608 HG2 MET 77 2HG MET 77 3.505 13.680 0.870 609 HG3 MET 77 3HG MET 77 2.447 15.045 0.539 610 HE1 MET 77 3HE MET 77 3.811 16.686 -1.809 611 HE2 MET 77 1HE MET 77 3.089 15.868 -3.208 612 HE3 MET 77 2HE MET 77 2.103 16.187 -1.764 613 H GLN 78 H GLN 78 6.872 16.829 -0.765 614 HA GLN 78 HA GLN 78 8.996 17.778 0.956 615 HB2 GLN 78 2HB GLN 78 9.155 17.603 -1.543 616 HB3 GLN 78 3HB GLN 78 7.997 18.928 -1.686 617 HG2 GLN 78 2HG GLN 78 10.317 19.704 -1.976 618 HG3 GLN 78 3HG GLN 78 9.587 20.457 -0.563 619 HE21 GLN 78 1HE2 GLN 78 12.206 18.323 -1.661 620 HE22 GLN 78 2HE2 GLN 78 12.832 18.061 -0.028 621 H ASP 79 H ASP 79 9.164 19.606 2.124 622 HA ASP 79 HA ASP 79 7.291 21.798 2.210 623 HB2 ASP 79 2HB ASP 79 6.413 21.334 4.492 624 HB3 ASP 79 3HB ASP 79 5.825 20.239 3.266 625 H GLU 80 H GLU 80 7.715 22.851 4.677 626 HA GLU 80 HA GLU 80 10.632 22.860 5.237 627 HB2 GLU 80 2HB GLU 80 10.142 24.603 3.506 628 HB3 GLU 80 3HB GLU 80 9.012 25.370 4.626 629 HG2 GLU 80 2HG GLU 80 10.876 25.791 6.213 630 HG3 GLU 80 3HG GLU 80 11.996 24.965 5.127 631 H SER 81 H SER 81 11.175 23.402 7.328 632 HA SER 81 HA SER 81 9.334 24.790 9.096 633 HB2 SER 81 2HB SER 81 9.403 23.181 10.923 634 HB3 SER 81 3HB SER 81 8.639 22.454 9.505 635 HG SER 81 HG SER 81 10.682 21.454 9.041 636 H SER 82 H SER 82 10.406 25.500 11.100 637 HA SER 82 HA SER 82 13.363 25.759 10.914 638 HB2 SER 82 2HB SER 82 13.071 27.402 12.743 639 HB3 SER 82 3HB SER 82 12.185 27.827 11.272 640 HG SER 82 HG SER 82 10.901 28.108 13.150 641 H GLN 83 H GLN 83 14.626 25.415 12.886 642 HA GLN 83 HA GLN 83 13.569 23.575 14.933 643 HB2 GLN 83 2HB GLN 83 14.275 22.250 12.871 644 HB3 GLN 83 3HB GLN 83 15.924 22.777 13.149 645 HG2 GLN 83 2HG GLN 83 14.233 21.244 15.184 646 HG3 GLN 83 3HG GLN 83 15.228 20.448 13.973 647 HE21 GLN 83 1HE2 GLN 83 15.443 20.356 16.991 648 HE22 GLN 83 2HE2 GLN 83 17.091 20.916 17.289 649 H THR 84 H THR 84 14.796 23.605 16.844 650 HA THR 84 HA THR 84 17.244 25.308 16.980 651 HB THR 84 HB THR 84 16.350 26.241 19.145 652 HG1 THR 84 1HG THR 84 14.614 24.776 19.414 653 HG21 THR 84 3HG2 THR 84 16.375 27.580 17.059 654 HG22 THR 84 1HG2 THR 84 15.008 27.987 18.111 655 HG23 THR 84 2HG2 THR 84 14.744 26.990 16.666 656 H SER 85 H SER 85 18.835 24.511 18.150 657 HA SER 85 HA SER 85 18.385 22.491 20.296 658 HB2 SER 85 2HB SER 85 20.319 22.212 17.960 659 HB3 SER 85 3HB SER 85 20.384 21.231 19.432 660 HG SER 85 HG SER 85 19.230 20.133 17.868 661 H LEU 86 H LEU 86 20.360 22.144 21.602 662 HA LEU 86 HA LEU 86 21.821 24.690 22.136 663 HB2 LEU 86 2HB LEU 86 21.163 22.240 23.808 664 HB3 LEU 86 3HB LEU 86 22.340 23.437 24.332 665 HG LEU 86 HG LEU 86 19.452 24.155 23.674 666 HD11 LEU 86 1HD1 LEU 86 19.516 22.564 25.547 667 HD12 LEU 86 2HD1 LEU 86 19.099 24.188 26.119 668 HD13 LEU 86 3HD1 LEU 86 20.743 23.554 26.369 669 HD21 LEU 86 3HD2 LEU 86 21.009 26.081 23.619 670 HD22 LEU 86 1HD2 LEU 86 21.648 25.622 25.214 671 HD23 LEU 86 2HD2 LEU 86 19.966 26.168 25.040 672 H GLN 87 H GLN 87 23.784 24.867 21.385 673 HA GLN 87 HA GLN 87 25.527 22.521 20.838 674 HB2 GLN 87 2HB GLN 87 25.853 25.506 20.329 675 HB3 GLN 87 3HB GLN 87 27.052 24.289 19.896 676 HG2 GLN 87 2HG GLN 87 24.193 24.339 18.816 677 HG3 GLN 87 3HG GLN 87 25.595 25.012 17.995 678 HE21 GLN 87 1HE2 GLN 87 27.345 23.489 17.284 679 HE22 GLN 87 2HE2 GLN 87 26.894 21.810 17.010 680 H LYS 88 H LYS 88 25.403 25.280 23.058 681 HA LYS 88 HA LYS 88 28.067 24.962 24.143 682 HB2 LYS 88 2HB LYS 88 26.602 27.060 24.002 683 HB3 LYS 88 3HB LYS 88 25.749 26.473 25.420 684 HG2 LYS 88 2HG LYS 88 28.752 27.037 25.256 685 HG3 LYS 88 3HG LYS 88 27.536 28.180 25.819 686 HD2 LYS 88 2HD LYS 88 26.932 26.546 27.659 687 HD3 LYS 88 3HD LYS 88 28.349 25.584 27.175 688 HE2 LYS 88 2HE LYS 88 29.810 27.561 27.513 689 HE3 LYS 88 3HE LYS 88 28.406 28.507 28.023 690 HZ1 LYS 88 3HZ LYS 88 28.123 26.951 29.886 691 HZ2 LYS 88 1HZ LYS 88 29.604 27.630 29.935 692 HZ3 LYS 88 2HZ LYS 88 29.437 26.093 29.417 693 H GLU 89 H GLU 89 28.742 23.464 25.464 694 HA GLU 89 HA GLU 89 27.115 22.456 27.724 695 HB2 GLU 89 2HB GLU 89 26.853 20.971 25.649 696 HB3 GLU 89 3HB GLU 89 28.558 20.555 25.830 697 HG2 GLU 89 2HG GLU 89 28.107 19.488 27.981 698 HG3 GLU 89 3HG GLU 89 26.481 20.172 28.028 699 H ILE 90 H ILE 90 28.646 20.936 29.093 700 HA ILE 90 HA ILE 90 30.999 22.314 29.975 701 HB ILE 90 HB ILE 90 30.188 19.400 30.336 702 HG12 ILE 90 2HG1 ILE 90 28.412 20.796 31.203 703 HG13 ILE 90 3HG1 ILE 90 29.283 20.050 32.520 704 HG21 ILE 90 1HG2 ILE 90 31.597 19.503 32.408 705 HG22 ILE 90 2HG2 ILE 90 32.522 19.613 30.917 706 HG23 ILE 90 3HG2 ILE 90 32.215 21.080 31.871 707 HD11 ILE 90 3HD1 ILE 90 28.684 22.383 33.023 708 HD12 ILE 90 1HD1 ILE 90 30.444 22.181 33.009 709 HD13 ILE 90 2HD1 ILE 90 29.616 22.954 31.634 710 H SER 91 H SER 91 33.124 22.068 29.530 711 HA SER 91 HA SER 91 34.037 20.138 27.445 712 HB2 SER 91 2HB SER 91 33.689 22.290 26.327 713 HB3 SER 91 3HB SER 91 34.680 23.109 27.552 714 HG SER 91 HG SER 91 35.846 22.545 25.611 715 H THR 92 H THR 92 35.965 19.252 27.826 716 HA THR 92 HA THR 92 36.979 19.092 30.448 717 HB THR 92 HB THR 92 37.165 17.364 28.686 718 HG1 THR 92 1HG THR 92 39.541 18.112 30.031 719 HG21 THR 92 3HG2 THR 92 39.599 18.914 27.698 720 HG22 THR 92 1HG2 THR 92 38.063 18.746 26.820 721 HG23 THR 92 2HG2 THR 92 39.047 17.314 27.161 722 H GLU 93 H GLU 93 37.839 21.451 28.047 723 HA GLU 93 HA GLU 93 40.400 22.287 29.044 724 HB2 GLU 93 2HB GLU 93 38.170 23.842 27.671 725 HB3 GLU 93 3HB GLU 93 39.787 24.482 27.997 726 HG2 GLU 93 2HG GLU 93 40.797 22.685 26.625 727 HG3 GLU 93 3HG GLU 93 39.196 22.030 26.280 728 H GLU 94 H GLU 94 37.134 22.862 30.308 729 HA GLU 94 HA GLU 94 38.006 24.883 32.248 730 HB2 GLU 94 2HB GLU 94 35.668 24.726 31.386 731 HB3 GLU 94 3HB GLU 94 35.497 23.162 32.179 732 HG2 GLU 94 2HG GLU 94 34.458 24.945 33.492 733 HG3 GLU 94 3HG GLU 94 35.762 24.171 34.379 734 H GLN 95 H GLN 95 37.546 21.337 32.266 735 HA GLN 95 HA GLN 95 38.009 20.981 35.088 736 HB2 GLN 95 2HB GLN 95 38.117 19.108 32.706 737 HB3 GLN 95 3HB GLN 95 38.668 18.591 34.293 738 HG2 GLN 95 2HG GLN 95 36.385 17.907 34.044 739 HG3 GLN 95 3HG GLN 95 36.483 19.140 35.293 740 HE21 GLN 95 1HE2 GLN 95 35.004 20.888 35.097 741 HE22 GLN 95 2HE2 GLN 95 34.130 21.194 33.600 742 H LEU 96 H LEU 96 40.304 21.468 32.449 743 HA LEU 96 HA LEU 96 42.663 20.661 33.863 744 HB2 LEU 96 2HB LEU 96 42.126 22.540 31.571 745 HB3 LEU 96 3HB LEU 96 43.657 22.676 32.421 746 HG LEU 96 HG LEU 96 44.082 20.234 32.054 747 HD11 LEU 96 1HD1 LEU 96 42.872 19.082 30.251 748 HD12 LEU 96 2HD1 LEU 96 41.750 20.451 30.107 749 HD13 LEU 96 3HD1 LEU 96 41.773 19.458 31.582 750 HD21 LEU 96 3HD2 LEU 96 45.107 21.966 30.651 751 HD22 LEU 96 1HD2 LEU 96 43.690 21.962 29.575 752 HD23 LEU 96 2HD2 LEU 96 44.735 20.525 29.693 753 H ARG 97 H ARG 97 40.686 23.558 34.300 754 HA ARG 97 HA ARG 97 42.656 24.935 36.014 755 HB2 ARG 97 2HB ARG 97 39.687 25.417 35.488 756 HB3 ARG 97 3HB ARG 97 40.612 26.309 36.675 757 HG2 ARG 97 2HG ARG 97 40.556 27.670 34.798 758 HG3 ARG 97 3HG ARG 97 42.202 27.051 34.902 759 HD2 ARG 97 2HD ARG 97 41.767 25.506 33.036 760 HD3 ARG 97 3HD ARG 97 40.053 25.978 33.027 761 HE ARG 97 HE ARG 97 41.880 28.235 32.736 762 HH11 ARG 97 1HH1 ARG 97 40.336 25.772 30.774 763 HH12 ARG 97 2HH1 ARG 97 40.240 26.841 29.395 764 HH21 ARG 97 1HH2 ARG 97 41.781 29.490 30.937 765 HH22 ARG 97 2HH2 ARG 97 41.080 28.859 29.478 766 H ARG 98 H ARG 98 40.352 22.423 36.539 767 HA ARG 98 HA ARG 98 40.103 22.735 39.439 768 HB2 ARG 98 2HB ARG 98 38.540 21.565 37.690 769 HB3 ARG 98 3HB ARG 98 39.576 20.164 37.901 770 HG2 ARG 98 2HG ARG 98 38.124 21.577 40.189 771 HG3 ARG 98 3HG ARG 98 37.411 20.292 39.221 772 HD2 ARG 98 2HD ARG 98 39.339 18.793 39.906 773 HD3 ARG 98 3HD ARG 98 39.795 20.025 41.084 774 HE ARG 98 HE ARG 98 37.481 18.226 41.182 775 HH11 ARG 98 1HH1 ARG 98 38.854 21.103 42.619 776 HH12 ARG 98 2HH1 ARG 98 37.868 20.969 44.051 777 HH21 ARG 98 1HH2 ARG 98 36.270 18.097 43.019 778 HH22 ARG 98 2HH2 ARG 98 36.446 19.298 44.265 779 H LEU 99 H LEU 99 42.344 21.103 37.319 780 HA LEU 99 HA LEU 99 43.502 19.188 39.018 781 HB2 LEU 99 2HB LEU 99 44.886 20.866 36.884 782 HB3 LEU 99 3HB LEU 99 45.518 19.377 37.572 783 HG LEU 99 HG LEU 99 42.956 19.588 35.935 784 HD11 LEU 99 1HD1 LEU 99 45.004 20.005 34.617 785 HD12 LEU 99 2HD1 LEU 99 44.249 18.463 34.179 786 HD13 LEU 99 3HD1 LEU 99 45.699 18.481 35.210 787 HD21 LEU 99 3HD2 LEU 99 42.828 17.690 37.481 788 HD22 LEU 99 1HD2 LEU 99 44.456 17.154 36.998 789 HD23 LEU 99 2HD2 LEU 99 43.108 17.108 35.838 790 H GLN 100 H GLN 100 44.484 22.581 38.672 791 HA GLN 100 HA GLN 100 45.906 23.943 39.821 792 HB2 GLN 100 2HB GLN 100 44.644 22.464 42.157 793 HB3 GLN 100 3HB GLN 100 45.508 24.006 42.274 794 HG2 GLN 100 2HG GLN 100 43.886 25.092 40.785 795 HG3 GLN 100 3HG GLN 100 43.034 23.567 40.553 796 HE21 GLN 100 1HE2 GLN 100 41.198 25.045 41.253 797 HE22 GLN 100 2HE2 GLN 100 40.897 25.099 42.990 798 H GLU 101 H GLU 101 47.204 21.598 38.860 799 HA GLU 101 HA GLU 101 49.319 20.986 40.875 800 HB2 GLU 101 2HB GLU 101 47.987 19.109 39.986 801 HB3 GLU 101 3HB GLU 101 48.540 19.485 38.351 802 HG2 GLU 101 2HG GLU 101 50.910 19.092 39.114 803 HG3 GLU 101 3HG GLU 101 50.302 18.700 40.722 804 H GLU 102 H GLU 102 50.582 22.799 40.655 805 HA GLU 102 HA GLU 102 51.608 23.889 38.211 806 HB2 GLU 102 2HB GLU 102 51.429 24.952 40.503 807 HB3 GLU 102 3HB GLU 102 52.840 24.035 41.001 808 HG2 GLU 102 2HG GLU 102 52.757 25.977 38.641 809 HG3 GLU 102 3HG GLU 102 53.184 26.454 40.278 810 H LYS 103 H LYS 103 53.145 23.142 36.867 811 HA LYS 103 HA LYS 103 55.383 21.474 37.834 812 HB2 LYS 103 2HB LYS 103 55.084 19.741 36.192 813 HB3 LYS 103 3HB LYS 103 53.625 19.870 37.169 814 HG2 LYS 103 2HG LYS 103 52.527 21.166 35.307 815 HG3 LYS 103 3HG LYS 103 54.007 21.003 34.354 816 HD2 LYS 103 2HD LYS 103 52.467 19.357 33.575 817 HD3 LYS 103 3HD LYS 103 53.761 18.513 34.438 818 HE2 LYS 103 2HE LYS 103 52.285 18.384 36.463 819 HE3 LYS 103 3HE LYS 103 51.008 19.216 35.570 820 HZ1 LYS 103 3HZ LYS 103 50.954 17.332 34.027 821 HZ2 LYS 103 1HZ LYS 103 50.715 16.811 35.562 822 HZ3 LYS 103 2HZ LYS 103 52.156 16.574 34.837 823 H LEU 104 H LEU 104 57.081 21.216 36.335 824 HA LEU 104 HA LEU 104 57.569 23.585 34.603 825 HB2 LEU 104 2HB LEU 104 59.037 22.919 36.597 826 HB3 LEU 104 3HB LEU 104 59.610 21.569 35.629 827 HG LEU 104 HG LEU 104 59.843 24.516 34.854 828 HD11 LEU 104 1HD1 LEU 104 61.913 22.628 36.053 829 HD12 LEU 104 2HD1 LEU 104 61.120 23.978 36.895 830 HD13 LEU 104 3HD1 LEU 104 62.197 24.305 35.531 831 HD21 LEU 104 3HD2 LEU 104 61.146 22.016 33.686 832 HD22 LEU 104 1HD2 LEU 104 61.624 23.685 33.299 833 HD23 LEU 104 2HD2 LEU 104 60.016 23.118 32.865 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 28.064 -1.729 -12.774 2 H2 GLY 1 2H GLY 1 27.148 -2.054 -14.090 3 H3 GLY 1 3H GLY 1 28.425 -3.008 -13.725 4 HA2 GLY 1 2HA GLY 1 26.214 -3.986 -13.140 5 HA3 GLY 1 3HA GLY 1 27.396 -3.919 -11.826 6 H SER 2 H SER 2 27.250 -2.304 -10.231 7 HA SER 2 HA SER 2 24.665 -0.823 -9.980 8 HB2 SER 2 2HB SER 2 24.773 -2.940 -8.611 9 HB3 SER 2 3HB SER 2 26.150 -2.241 -7.738 10 HG SER 2 HG SER 2 24.140 -1.853 -6.682 11 H ALA 3 H ALA 3 24.827 0.891 -8.320 12 HA ALA 3 HA ALA 3 27.439 2.146 -7.828 13 HB1 ALA 3 1HB ALA 3 25.418 3.481 -9.695 14 HB2 ALA 3 2HB ALA 3 26.866 4.257 -9.015 15 HB3 ALA 3 3HB ALA 3 27.033 2.888 -10.129 16 H MET 4 H MET 4 23.985 3.092 -7.977 17 HA MET 4 HA MET 4 24.002 4.530 -5.442 18 HB2 MET 4 2HB MET 4 21.755 3.561 -7.268 19 HB3 MET 4 3HB MET 4 21.507 4.551 -5.824 20 HG2 MET 4 2HG MET 4 22.952 6.314 -6.738 21 HG3 MET 4 3HG MET 4 23.221 5.378 -8.204 22 HE1 MET 4 3HE MET 4 20.240 5.998 -10.408 23 HE2 MET 4 1HE MET 4 22.012 5.955 -10.330 24 HE3 MET 4 2HE MET 4 21.064 4.557 -9.769 25 H ALA 5 H ALA 5 22.505 3.967 -3.641 26 HA ALA 5 HA ALA 5 22.178 1.056 -3.111 27 HB1 ALA 5 1HB ALA 5 24.347 1.753 -2.152 28 HB2 ALA 5 2HB ALA 5 23.537 3.052 -1.248 29 HB3 ALA 5 3HB ALA 5 23.181 1.351 -0.879 30 H ASP 6 H ASP 6 20.727 0.571 -1.364 31 HA ASP 6 HA ASP 6 18.467 2.523 -1.197 32 HB2 ASP 6 2HB ASP 6 18.488 -0.511 -1.097 33 HB3 ASP 6 3HB ASP 6 17.061 0.506 -0.884 34 H ILE 7 H ILE 7 19.533 3.581 0.587 35 HA ILE 7 HA ILE 7 19.723 2.219 3.173 36 HB ILE 7 HB ILE 7 20.367 4.370 4.074 37 HG12 ILE 7 2HG1 ILE 7 19.828 5.568 1.316 38 HG13 ILE 7 3HG1 ILE 7 18.835 5.827 2.751 39 HG21 ILE 7 1HG2 ILE 7 21.994 2.893 2.867 40 HG22 ILE 7 2HG2 ILE 7 21.787 3.902 1.419 41 HG23 ILE 7 3HG2 ILE 7 22.465 4.592 2.907 42 HD11 ILE 7 3HD1 ILE 7 20.261 7.734 2.474 43 HD12 ILE 7 1HD1 ILE 7 20.805 6.845 3.911 44 HD13 ILE 7 2HD1 ILE 7 21.714 6.726 2.383 45 H GLY 8 H GLY 8 17.066 3.427 1.530 46 HA2 GLY 8 2HA GLY 8 14.832 3.686 2.178 47 HA3 GLY 8 3HA GLY 8 15.281 3.369 3.853 48 H SER 9 H SER 9 15.287 5.080 5.222 49 HA SER 9 HA SER 9 15.881 7.809 4.359 50 HB2 SER 9 2HB SER 9 13.385 7.424 3.900 51 HB3 SER 9 3HB SER 9 13.182 7.322 5.661 52 HG SER 9 HG SER 9 12.876 9.457 4.952 53 H GLU 10 H GLU 10 15.414 9.301 6.345 54 HA GLU 10 HA GLU 10 16.455 8.050 8.877 55 HB2 GLU 10 2HB GLU 10 17.485 10.535 7.466 56 HB3 GLU 10 3HB GLU 10 17.823 10.184 9.153 57 HG2 GLU 10 2HG GLU 10 18.593 8.423 6.785 58 HG3 GLU 10 3HG GLU 10 19.664 9.527 7.636 59 H PHE 11 H PHE 11 15.355 11.309 7.778 60 HA PHE 11 HA PHE 11 14.101 11.886 10.314 61 HB2 PHE 11 2HB PHE 11 15.094 13.552 8.728 62 HB3 PHE 11 3HB PHE 11 13.752 13.269 7.627 63 HD1 PHE 11 2HD PHE 11 14.625 14.410 11.095 64 HD2 PHE 11 1HD PHE 11 11.686 14.477 7.935 65 HE1 PHE 11 2HE PHE 11 13.304 16.093 12.356 66 HE2 PHE 11 1HE PHE 11 10.367 16.155 9.205 67 HZ PHE 11 HZ PHE 11 11.171 16.963 11.415 68 H GLU 12 H GLU 12 11.842 12.428 10.627 69 HA GLU 12 HA GLU 12 9.911 10.693 9.125 70 HB2 GLU 12 2HB GLU 12 10.629 9.744 11.311 71 HB3 GLU 12 3HB GLU 12 9.983 11.170 12.124 72 HG2 GLU 12 2HG GLU 12 7.712 10.602 11.101 73 HG3 GLU 12 3HG GLU 12 8.434 9.130 10.469 74 H LYS 13 H LYS 13 9.467 12.541 7.844 75 HA LYS 13 HA LYS 13 7.889 14.761 9.004 76 HB2 LYS 13 2HB LYS 13 7.476 15.392 6.650 77 HB3 LYS 13 3HB LYS 13 9.186 15.305 7.057 78 HG2 LYS 13 2HG LYS 13 9.413 13.144 5.928 79 HG3 LYS 13 3HG LYS 13 7.682 13.094 5.574 80 HD2 LYS 13 2HD LYS 13 9.558 15.273 4.552 81 HD3 LYS 13 3HD LYS 13 9.191 13.784 3.675 82 HE2 LYS 13 2HE LYS 13 6.741 14.369 3.790 83 HE3 LYS 13 3HE LYS 13 7.183 15.934 4.489 84 HZ1 LYS 13 3HZ LYS 13 6.901 16.047 2.061 85 HZ2 LYS 13 1HZ LYS 13 8.073 14.925 1.833 86 HZ3 LYS 13 2HZ LYS 13 8.452 16.394 2.453 87 H THR 14 H THR 14 5.691 15.066 8.706 88 HA THR 14 HA THR 14 3.971 12.882 7.681 89 HB THR 14 HB THR 14 2.501 13.117 9.758 90 HG1 THR 14 1HG THR 14 3.636 14.954 10.623 91 HG21 THR 14 3HG2 THR 14 3.699 11.469 11.068 92 HG22 THR 14 1HG2 THR 14 5.211 11.824 10.220 93 HG23 THR 14 2HG2 THR 14 3.845 11.093 9.345 94 HA PRO 15 HA PRO 15 1.369 16.358 6.530 95 HB2 PRO 15 2HB PRO 15 -1.149 15.293 6.479 96 HB3 PRO 15 3HB PRO 15 0.121 14.847 5.302 97 HG2 PRO 15 2HG PRO 15 -0.647 13.379 7.845 98 HG3 PRO 15 3HG PRO 15 -0.484 12.707 6.187 99 HD2 PRO 15 2HD PRO 15 1.530 12.528 7.984 100 HD3 PRO 15 3HD PRO 15 1.874 12.850 6.264 101 H SER 16 H SER 16 -0.707 17.500 7.273 102 HA SER 16 HA SER 16 -0.279 18.720 9.717 103 HB2 SER 16 2HB SER 16 -1.630 19.577 7.795 104 HB3 SER 16 3HB SER 16 -2.966 18.529 8.310 105 HG SER 16 HG SER 16 -3.127 20.675 9.152 106 H LEU 17 H LEU 17 -1.108 18.698 11.738 107 HA LEU 17 HA LEU 17 -2.199 16.131 12.725 108 HB2 LEU 17 2HB LEU 17 -0.048 17.536 13.567 109 HB3 LEU 17 3HB LEU 17 -1.247 18.346 14.538 110 HG LEU 17 HG LEU 17 -0.368 16.697 15.931 111 HD11 LEU 17 1HD1 LEU 17 -2.073 15.066 16.411 112 HD12 LEU 17 2HD1 LEU 17 -2.782 15.221 14.799 113 HD13 LEU 17 3HD1 LEU 17 -2.865 16.580 15.949 114 HD21 LEU 17 3HD2 LEU 17 0.925 15.458 14.331 115 HD22 LEU 17 1HD2 LEU 17 -0.536 14.783 13.596 116 HD23 LEU 17 2HD2 LEU 17 -0.067 14.311 15.248 117 H THR 18 H THR 18 -4.347 15.992 13.003 118 HA THR 18 HA THR 18 -5.876 18.286 14.175 119 HB THR 18 HB THR 18 -6.990 16.448 12.025 120 HG1 THR 18 1HG THR 18 -6.739 18.170 10.626 121 HG21 THR 18 3HG2 THR 18 -7.964 19.114 13.164 122 HG22 THR 18 1HG2 THR 18 -8.722 17.530 13.436 123 HG23 THR 18 2HG2 THR 18 -8.717 18.231 11.819 124 H ARG 19 H ARG 19 -7.393 17.736 15.691 125 HA ARG 19 HA ARG 19 -7.146 15.210 17.047 126 HB2 ARG 19 2HB ARG 19 -8.535 16.145 18.724 127 HB3 ARG 19 3HB ARG 19 -7.491 17.408 18.121 128 HG2 ARG 19 2HG ARG 19 -9.395 18.612 18.212 129 HG3 ARG 19 3HG ARG 19 -9.625 17.993 16.579 130 HD2 ARG 19 2HD ARG 19 -11.156 16.271 17.400 131 HD3 ARG 19 3HD ARG 19 -10.772 16.646 19.076 132 HE ARG 19 HE ARG 19 -12.620 18.059 17.309 133 HH11 ARG 19 1HH1 ARG 19 -10.758 18.471 20.248 134 HH12 ARG 19 2HH1 ARG 19 -11.811 19.726 20.842 135 HH21 ARG 19 1HH2 ARG 19 -13.925 19.644 18.129 136 HH22 ARG 19 2HH2 ARG 19 -13.556 20.362 19.668 137 H ARG 20 H ARG 20 -8.796 15.605 14.322 138 HA ARG 20 HA ARG 20 -11.398 14.570 14.592 139 HB2 ARG 20 2HB ARG 20 -10.380 15.631 12.557 140 HB3 ARG 20 3HB ARG 20 -9.501 14.133 12.240 141 HG2 ARG 20 2HG ARG 20 -11.717 12.929 12.076 142 HG3 ARG 20 3HG ARG 20 -12.530 14.461 12.402 143 HD2 ARG 20 2HD ARG 20 -12.669 14.256 10.074 144 HD3 ARG 20 3HD ARG 20 -11.360 15.396 10.326 145 HE ARG 20 HE ARG 20 -9.877 13.905 9.353 146 HH11 ARG 20 1HH1 ARG 20 -12.789 12.079 10.022 147 HH12 ARG 20 2HH1 ARG 20 -12.305 10.760 8.993 148 HH21 ARG 20 1HH2 ARG 20 -9.334 12.195 8.037 149 HH22 ARG 20 2HH2 ARG 20 -10.383 10.819 7.933 150 H ILE 21 H ILE 21 -11.971 12.800 15.613 151 HA ILE 21 HA ILE 21 -10.376 10.386 15.849 152 HB ILE 21 HB ILE 21 -12.252 9.469 17.063 153 HG12 ILE 21 2HG1 ILE 21 -13.857 11.936 16.243 154 HG13 ILE 21 3HG1 ILE 21 -14.106 10.299 15.633 155 HG21 ILE 21 1HG2 ILE 21 -11.905 12.379 17.883 156 HG22 ILE 21 2HG2 ILE 21 -12.253 10.986 18.922 157 HG23 ILE 21 3HG2 ILE 21 -10.683 11.116 18.129 158 HD11 ILE 21 3HD1 ILE 21 -14.537 11.235 18.491 159 HD12 ILE 21 1HD1 ILE 21 -15.755 10.718 17.315 160 HD13 ILE 21 2HD1 ILE 21 -14.607 9.533 17.967 161 H ASP 22 H ASP 22 -11.596 8.191 15.433 162 HA ASP 22 HA ASP 22 -13.224 8.092 12.998 163 HB2 ASP 22 2HB ASP 22 -10.706 8.011 12.382 164 HB3 ASP 22 3HB ASP 22 -10.677 6.427 13.142 165 H ASP 23 H ASP 23 -14.600 6.298 13.054 166 HA ASP 23 HA ASP 23 -14.917 4.705 15.463 167 HB2 ASP 23 2HB ASP 23 -16.039 4.385 12.651 168 HB3 ASP 23 3HB ASP 23 -16.529 3.421 14.042 169 H THR 24 H THR 24 -12.920 4.328 12.611 170 HA THR 24 HA THR 24 -12.313 1.541 12.879 171 HB THR 24 HB THR 24 -10.520 3.727 11.804 172 HG1 THR 24 1HG THR 24 -12.417 2.021 10.538 173 HG21 THR 24 3HG2 THR 24 -10.565 0.700 11.392 174 HG22 THR 24 1HG2 THR 24 -9.230 1.689 12.027 175 HG23 THR 24 2HG2 THR 24 -9.713 1.843 10.330 176 H ILE 25 H ILE 25 -11.291 4.264 14.846 177 HA ILE 25 HA ILE 25 -9.062 2.989 16.193 178 HB ILE 25 HB ILE 25 -10.962 5.157 17.159 179 HG12 ILE 25 2HG1 ILE 25 -8.132 5.436 16.031 180 HG13 ILE 25 3HG1 ILE 25 -9.587 5.712 15.090 181 HG21 ILE 25 1HG2 ILE 25 -9.244 5.675 18.854 182 HG22 ILE 25 2HG2 ILE 25 -9.874 4.059 19.071 183 HG23 ILE 25 3HG2 ILE 25 -8.284 4.283 18.311 184 HD11 ILE 25 3HD1 ILE 25 -8.769 7.839 15.788 185 HD12 ILE 25 1HD1 ILE 25 -10.261 7.517 16.698 186 HD13 ILE 25 2HD1 ILE 25 -8.676 7.343 17.483 187 H PHE 26 H PHE 26 -12.548 3.216 16.893 188 HA PHE 26 HA PHE 26 -12.406 1.771 19.364 189 HB2 PHE 26 2HB PHE 26 -14.160 3.471 18.505 190 HB3 PHE 26 3HB PHE 26 -14.908 2.114 17.681 191 HD1 PHE 26 2HD PHE 26 -15.780 0.147 19.095 192 HD2 PHE 26 1HD PHE 26 -14.365 3.828 20.853 193 HE1 PHE 26 2HE PHE 26 -16.892 -0.441 21.236 194 HE2 PHE 26 1HE PHE 26 -15.492 3.241 22.984 195 HZ PHE 26 HZ PHE 26 -16.751 1.104 23.183 196 H GLN 27 H GLN 27 -13.394 0.733 16.078 197 HA GLN 27 HA GLN 27 -14.228 -1.877 16.919 198 HB2 GLN 27 2HB GLN 27 -14.684 -2.329 14.662 199 HB3 GLN 27 3HB GLN 27 -14.981 -0.606 14.873 200 HG2 GLN 27 2HG GLN 27 -12.600 -0.239 13.960 201 HG3 GLN 27 3HG GLN 27 -12.585 -1.948 13.536 202 HE21 GLN 27 1HE2 GLN 27 -14.672 0.996 13.057 203 HE22 GLN 27 2HE2 GLN 27 -15.097 0.533 11.407 204 H ASN 28 H ASN 28 -11.007 -0.772 16.343 205 HA ASN 28 HA ASN 28 -10.026 -3.575 16.061 206 HB2 ASN 28 2HB ASN 28 -10.074 -1.879 13.997 207 HB3 ASN 28 3HB ASN 28 -8.541 -1.369 14.676 208 HD21 ASN 28 1HD2 ASN 28 -6.792 -3.049 14.787 209 HD22 ASN 28 2HD2 ASN 28 -6.968 -4.474 13.759 210 HA PRO 29 HA PRO 29 -8.374 -1.849 19.898 211 HB2 PRO 29 2HB PRO 29 -7.571 -4.164 21.157 212 HB3 PRO 29 3HB PRO 29 -9.273 -3.630 21.021 213 HG2 PRO 29 2HG PRO 29 -7.789 -5.585 19.236 214 HG3 PRO 29 3HG PRO 29 -9.391 -5.799 20.014 215 HD2 PRO 29 2HD PRO 29 -9.174 -5.000 17.443 216 HD3 PRO 29 3HD PRO 29 -10.419 -4.276 18.509 217 H MET 30 H MET 30 -6.513 -3.646 17.614 218 HA MET 30 HA MET 30 -3.854 -3.372 18.628 219 HB2 MET 30 2HB MET 30 -4.888 -3.257 15.768 220 HB3 MET 30 3HB MET 30 -3.198 -3.472 16.237 221 HG2 MET 30 2HG MET 30 -3.598 -5.618 17.165 222 HG3 MET 30 3HG MET 30 -5.343 -5.419 17.131 223 HE1 MET 30 3HE MET 30 -3.513 -4.128 13.845 224 HE2 MET 30 1HE MET 30 -2.284 -5.155 14.624 225 HE3 MET 30 2HE MET 30 -3.048 -5.664 13.104 226 H VAL 31 H VAL 31 -6.040 -0.916 17.434 227 HA VAL 31 HA VAL 31 -4.152 1.000 16.508 228 HB VAL 31 HB VAL 31 -6.929 1.353 17.681 229 HG11 VAL 31 1HG1 VAL 31 -6.848 3.616 16.547 230 HG12 VAL 31 2HG1 VAL 31 -5.833 3.502 17.989 231 HG13 VAL 31 3HG1 VAL 31 -5.101 3.415 16.375 232 HG21 VAL 31 3HG2 VAL 31 -5.930 1.575 14.821 233 HG22 VAL 31 1HG2 VAL 31 -6.703 0.131 15.489 234 HG23 VAL 31 2HG2 VAL 31 -7.611 1.631 15.371 235 H GLN 32 H GLN 32 -5.671 0.790 19.759 236 HA GLN 32 HA GLN 32 -4.235 2.941 20.916 237 HB2 GLN 32 2HB GLN 32 -5.236 0.421 22.319 238 HB3 GLN 32 3HB GLN 32 -4.745 1.924 23.090 239 HG2 GLN 32 2HG GLN 32 -7.034 2.163 23.089 240 HG3 GLN 32 3HG GLN 32 -6.590 3.071 21.652 241 HE21 GLN 32 1HE2 GLN 32 -7.779 2.538 19.792 242 HE22 GLN 32 2HE2 GLN 32 -8.692 1.058 19.607 243 H GLU 33 H GLU 33 -3.297 -0.461 20.665 244 HA GLU 33 HA GLU 33 -0.834 -0.375 22.111 245 HB2 GLU 33 2HB GLU 33 -2.002 -2.440 21.546 246 HB3 GLU 33 3HB GLU 33 -1.814 -2.128 19.832 247 HG2 GLU 33 2HG GLU 33 -0.284 -3.830 20.569 248 HG3 GLU 33 3HG GLU 33 0.588 -2.440 19.943 249 H ALA 34 H ALA 34 -1.506 0.347 18.646 250 HA ALA 34 HA ALA 34 1.245 0.691 17.901 251 HB1 ALA 34 1HB ALA 34 0.355 1.737 15.896 252 HB2 ALA 34 2HB ALA 34 -0.582 0.286 16.297 253 HB3 ALA 34 3HB ALA 34 -1.251 1.893 16.640 254 H ILE 35 H ILE 35 -1.224 3.182 18.843 255 HA ILE 35 HA ILE 35 0.612 5.393 18.842 256 HB ILE 35 HB ILE 35 -1.898 4.971 20.502 257 HG12 ILE 35 2HG1 ILE 35 -2.323 7.125 18.796 258 HG13 ILE 35 3HG1 ILE 35 -1.280 6.133 17.799 259 HG21 ILE 35 1HG2 ILE 35 -0.192 7.484 20.282 260 HG22 ILE 35 2HG2 ILE 35 -1.822 7.408 20.982 261 HG23 ILE 35 3HG2 ILE 35 -0.511 6.539 21.757 262 HD11 ILE 35 3HD1 ILE 35 -3.836 5.158 19.164 263 HD12 ILE 35 1HD1 ILE 35 -3.719 5.673 17.467 264 HD13 ILE 35 2HD1 ILE 35 -2.824 4.265 18.019 265 H ARG 36 H ARG 36 -0.096 3.038 21.423 266 HA ARG 36 HA ARG 36 1.551 4.180 23.434 267 HB2 ARG 36 2HB ARG 36 -0.175 2.488 23.806 268 HB3 ARG 36 3HB ARG 36 0.798 1.262 22.988 269 HG2 ARG 36 2HG ARG 36 2.471 1.308 24.718 270 HG3 ARG 36 3HG ARG 36 1.768 2.766 25.446 271 HD2 ARG 36 2HD ARG 36 -0.268 1.500 26.055 272 HD3 ARG 36 3HD ARG 36 0.364 0.069 25.241 273 HE ARG 36 HE ARG 36 1.679 -0.408 27.067 274 HH11 ARG 36 1HH1 ARG 36 0.701 2.931 27.486 275 HH12 ARG 36 2HH1 ARG 36 1.456 3.046 29.051 276 HH21 ARG 36 1HH2 ARG 36 2.601 -0.200 29.054 277 HH22 ARG 36 2HH2 ARG 36 2.492 1.307 29.915 278 H MET 37 H MET 37 2.636 2.378 20.615 279 HA MET 37 HA MET 37 5.366 2.046 21.686 280 HB2 MET 37 2HB MET 37 4.420 1.806 18.805 281 HB3 MET 37 3HB MET 37 5.999 1.368 19.462 282 HG2 MET 37 2HG MET 37 4.440 -0.118 21.099 283 HG3 MET 37 3HG MET 37 3.400 -0.059 19.679 284 HE1 MET 37 3HE MET 37 6.050 -1.535 16.974 285 HE2 MET 37 1HE MET 37 4.702 -0.388 17.182 286 HE3 MET 37 2HE MET 37 6.361 0.096 17.592 287 H GLY 38 H GLY 38 3.684 4.748 20.468 288 HA2 GLY 38 2HA GLY 38 4.890 6.859 20.803 289 HA3 GLY 38 3HA GLY 38 6.236 6.214 19.870 290 H PHE 39 H PHE 39 3.568 5.175 18.196 291 HA PHE 39 HA PHE 39 3.814 7.154 16.080 292 HB2 PHE 39 2HB PHE 39 1.874 4.881 16.585 293 HB3 PHE 39 3HB PHE 39 1.881 5.848 15.117 294 HD1 PHE 39 2HD PHE 39 4.143 5.978 13.775 295 HD2 PHE 39 1HD PHE 39 3.119 2.848 16.564 296 HE1 PHE 39 2HE PHE 39 5.745 4.444 12.665 297 HE2 PHE 39 1HE PHE 39 4.709 1.327 15.449 298 HZ PHE 39 HZ PHE 39 6.017 2.111 13.503 299 H SER 40 H SER 40 1.861 8.231 15.108 300 HA SER 40 HA SER 40 0.343 9.767 17.161 301 HB2 SER 40 2HB SER 40 0.362 10.138 14.145 302 HB3 SER 40 3HB SER 40 -0.266 11.245 15.367 303 HG SER 40 HG SER 40 2.451 10.572 14.846 304 H PHE 41 H PHE 41 -1.887 9.699 17.371 305 HA PHE 41 HA PHE 41 -3.523 7.597 16.464 306 HB2 PHE 41 2HB PHE 41 -4.018 10.334 17.586 307 HB3 PHE 41 3HB PHE 41 -5.352 9.587 16.738 308 HD1 PHE 41 2HD PHE 41 -6.192 7.297 17.406 309 HD2 PHE 41 1HD PHE 41 -3.523 9.628 19.868 310 HE1 PHE 41 2HE PHE 41 -6.847 5.957 19.393 311 HE2 PHE 41 1HE PHE 41 -4.180 8.277 21.847 312 HZ PHE 41 HZ PHE 41 -5.839 6.440 21.612 313 H LYS 42 H LYS 42 -3.130 10.779 14.920 314 HA LYS 42 HA LYS 42 -4.902 10.295 12.742 315 HB2 LYS 42 2HB LYS 42 -4.164 12.320 11.800 316 HB3 LYS 42 3HB LYS 42 -4.206 12.508 13.534 317 HG2 LYS 42 2HG LYS 42 -2.317 13.641 12.939 318 HG3 LYS 42 3HG LYS 42 -1.642 12.108 13.498 319 HD2 LYS 42 2HD LYS 42 -1.290 11.415 11.145 320 HD3 LYS 42 3HD LYS 42 -2.170 12.833 10.577 321 HE2 LYS 42 2HE LYS 42 0.159 13.207 10.227 322 HE3 LYS 42 3HE LYS 42 -0.389 14.303 11.487 323 HZ1 LYS 42 3HZ LYS 42 1.738 13.247 12.055 324 HZ2 LYS 42 1HZ LYS 42 1.094 11.746 11.937 325 HZ3 LYS 42 2HZ LYS 42 0.616 12.756 13.130 326 H ASP 43 H ASP 43 -1.868 8.847 13.169 327 HA ASP 43 HA ASP 43 -1.629 8.249 10.243 328 HB2 ASP 43 2HB ASP 43 0.324 7.820 12.517 329 HB3 ASP 43 3HB ASP 43 0.539 7.201 10.875 330 H ILE 44 H ILE 44 -2.244 6.638 13.386 331 HA ILE 44 HA ILE 44 -2.391 4.032 12.163 332 HB ILE 44 HB ILE 44 -4.026 4.662 14.612 333 HG12 ILE 44 2HG1 ILE 44 -2.018 5.648 15.354 334 HG13 ILE 44 3HG1 ILE 44 -2.073 4.028 16.006 335 HG21 ILE 44 1HG2 ILE 44 -3.330 2.311 15.115 336 HG22 ILE 44 2HG2 ILE 44 -4.214 2.441 13.589 337 HG23 ILE 44 3HG2 ILE 44 -2.459 2.241 13.585 338 HD11 ILE 44 3HD1 ILE 44 -0.557 3.323 14.080 339 HD12 ILE 44 1HD1 ILE 44 -0.253 5.053 13.825 340 HD13 ILE 44 2HD1 ILE 44 0.132 4.281 15.378 341 H LYS 45 H LYS 45 -4.979 6.368 13.042 342 HA LYS 45 HA LYS 45 -7.163 4.893 11.942 343 HB2 LYS 45 2HB LYS 45 -8.436 6.927 11.999 344 HB3 LYS 45 3HB LYS 45 -7.414 6.843 13.422 345 HG2 LYS 45 2HG LYS 45 -7.078 9.040 12.896 346 HG3 LYS 45 3HG LYS 45 -5.767 8.331 11.972 347 HD2 LYS 45 2HD LYS 45 -6.627 9.702 10.341 348 HD3 LYS 45 3HD LYS 45 -7.600 8.277 10.016 349 HE2 LYS 45 2HE LYS 45 -9.158 9.961 9.986 350 HE3 LYS 45 3HE LYS 45 -9.365 9.256 11.590 351 HZ1 LYS 45 3HZ LYS 45 -8.082 11.093 12.516 352 HZ2 LYS 45 1HZ LYS 45 -9.287 11.694 11.646 353 HZ3 LYS 45 2HZ LYS 45 -7.769 11.710 11.023 354 H LYS 46 H LYS 46 -4.985 7.161 10.375 355 HA LYS 46 HA LYS 46 -6.202 7.158 7.778 356 HB2 LYS 46 2HB LYS 46 -4.720 8.929 8.511 357 HB3 LYS 46 3HB LYS 46 -3.345 7.801 8.583 358 HG2 LYS 46 2HG LYS 46 -3.422 7.477 6.170 359 HG3 LYS 46 3HG LYS 46 -4.945 8.364 6.051 360 HD2 LYS 46 2HD LYS 46 -3.093 9.694 5.234 361 HD3 LYS 46 3HD LYS 46 -3.821 10.471 6.633 362 HE2 LYS 46 2HE LYS 46 -1.430 8.641 7.010 363 HE3 LYS 46 3HE LYS 46 -1.169 10.240 6.318 364 HZ1 LYS 46 3HZ LYS 46 -2.056 11.264 8.258 365 HZ2 LYS 46 1HZ LYS 46 -0.957 10.156 8.778 366 HZ3 LYS 46 2HZ LYS 46 -2.564 9.866 8.921 367 H ILE 47 H ILE 47 -3.297 5.322 8.938 368 HA ILE 47 HA ILE 47 -3.060 3.958 6.453 369 HB ILE 47 HB ILE 47 -1.302 4.208 8.295 370 HG12 ILE 47 2HG1 ILE 47 -1.594 1.550 6.846 371 HG13 ILE 47 3HG1 ILE 47 -1.067 3.068 6.113 372 HG21 ILE 47 1HG2 ILE 47 -1.005 2.327 9.837 373 HG22 ILE 47 2HG2 ILE 47 -2.544 3.119 10.144 374 HG23 ILE 47 3HG2 ILE 47 -2.496 1.571 9.281 375 HD11 ILE 47 3HD1 ILE 47 0.900 1.861 6.563 376 HD12 ILE 47 1HD1 ILE 47 0.830 3.136 7.787 377 HD13 ILE 47 2HD1 ILE 47 0.402 1.458 8.218 378 H MET 48 H MET 48 -4.975 3.091 9.337 379 HA MET 48 HA MET 48 -5.833 0.538 8.301 380 HB2 MET 48 2HB MET 48 -7.079 2.385 10.375 381 HB3 MET 48 3HB MET 48 -7.744 0.810 9.886 382 HG2 MET 48 2HG MET 48 -5.513 -0.210 10.362 383 HG3 MET 48 3HG MET 48 -5.032 1.289 11.149 384 HE1 MET 48 3HE MET 48 -5.565 -1.537 13.861 385 HE2 MET 48 1HE MET 48 -5.635 -2.102 12.173 386 HE3 MET 48 2HE MET 48 -4.450 -0.867 12.651 387 H GLU 49 H GLU 49 -7.587 3.752 8.170 388 HA GLU 49 HA GLU 49 -9.696 2.630 6.598 389 HB2 GLU 49 2HB GLU 49 -10.500 4.775 6.189 390 HB3 GLU 49 3HB GLU 49 -9.857 4.784 7.829 391 HG2 GLU 49 2HG GLU 49 -7.812 5.925 6.983 392 HG3 GLU 49 3HG GLU 49 -8.499 5.965 5.363 393 H GLU 50 H GLU 50 -6.584 4.003 5.571 394 HA GLU 50 HA GLU 50 -7.050 3.790 2.744 395 HB2 GLU 50 2HB GLU 50 -5.146 5.023 4.077 396 HB3 GLU 50 3HB GLU 50 -4.328 3.464 4.028 397 HG2 GLU 50 2HG GLU 50 -3.483 4.504 2.148 398 HG3 GLU 50 3HG GLU 50 -4.816 3.613 1.427 399 H LYS 51 H LYS 51 -5.451 1.494 5.032 400 HA LYS 51 HA LYS 51 -4.903 -0.606 3.226 401 HB2 LYS 51 2HB LYS 51 -3.992 -0.537 5.481 402 HB3 LYS 51 3HB LYS 51 -5.600 -0.653 6.189 403 HG2 LYS 51 2HG LYS 51 -4.549 -2.774 6.417 404 HG3 LYS 51 3HG LYS 51 -5.848 -2.938 5.253 405 HD2 LYS 51 2HD LYS 51 -4.198 -2.854 3.387 406 HD3 LYS 51 3HD LYS 51 -2.888 -2.654 4.567 407 HE2 LYS 51 2HE LYS 51 -3.539 -4.819 5.628 408 HE3 LYS 51 3HE LYS 51 -4.805 -5.027 4.411 409 HZ1 LYS 51 3HZ LYS 51 -3.088 -5.111 2.707 410 HZ2 LYS 51 1HZ LYS 51 -2.762 -6.233 3.835 411 HZ3 LYS 51 2HZ LYS 51 -1.898 -4.847 3.805 412 H ILE 52 H ILE 52 -7.864 -0.156 5.176 413 HA ILE 52 HA ILE 52 -9.241 -2.472 4.206 414 HB ILE 52 HB ILE 52 -10.403 0.155 5.204 415 HG12 ILE 52 2HG1 ILE 52 -10.153 -2.447 6.765 416 HG13 ILE 52 3HG1 ILE 52 -8.852 -1.276 6.782 417 HG21 ILE 52 1HG2 ILE 52 -12.122 -1.129 3.974 418 HG22 ILE 52 2HG2 ILE 52 -11.693 -2.603 4.866 419 HG23 ILE 52 3HG2 ILE 52 -12.452 -1.231 5.695 420 HD11 ILE 52 3HD1 ILE 52 -11.686 -0.793 7.769 421 HD12 ILE 52 1HD1 ILE 52 -10.199 -0.869 8.722 422 HD13 ILE 52 2HD1 ILE 52 -10.451 0.479 7.606 423 H GLN 53 H GLN 53 -9.256 0.898 2.949 424 HA GLN 53 HA GLN 53 -11.061 0.434 0.791 425 HB2 GLN 53 2HB GLN 53 -10.452 2.642 1.759 426 HB3 GLN 53 3HB GLN 53 -8.836 2.498 1.075 427 HG2 GLN 53 2HG GLN 53 -10.196 3.959 -0.296 428 HG3 GLN 53 3HG GLN 53 -9.791 2.514 -1.215 429 HE21 GLN 53 1HE2 GLN 53 -12.455 3.885 0.872 430 HE22 GLN 53 2HE2 GLN 53 -13.722 3.102 -0.066 431 H ILE 54 H ILE 54 -7.481 0.467 0.795 432 HA ILE 54 HA ILE 54 -7.206 -0.142 -2.016 433 HB ILE 54 HB ILE 54 -5.254 -0.151 0.311 434 HG12 ILE 54 2HG1 ILE 54 -6.210 2.078 -0.292 435 HG13 ILE 54 3HG1 ILE 54 -4.475 1.963 -0.479 436 HG21 ILE 54 1HG2 ILE 54 -4.253 -1.622 -1.300 437 HG22 ILE 54 2HG2 ILE 54 -4.641 -0.528 -2.644 438 HG23 ILE 54 3HG2 ILE 54 -3.437 -0.064 -1.420 439 HD11 ILE 54 3HD1 ILE 54 -5.546 3.254 -2.282 440 HD12 ILE 54 1HD1 ILE 54 -4.708 1.836 -2.925 441 HD13 ILE 54 2HD1 ILE 54 -6.483 1.834 -2.773 442 H SER 55 H SER 55 -6.715 -2.172 0.897 443 HA SER 55 HA SER 55 -6.024 -4.514 -0.763 444 HB2 SER 55 2HB SER 55 -4.720 -3.781 1.241 445 HB3 SER 55 3HB SER 55 -6.105 -4.207 2.259 446 HG SER 55 HG SER 55 -4.709 -6.009 0.532 447 H GLY 56 H GLY 56 -8.588 -3.586 1.528 448 HA2 GLY 56 2HA GLY 56 -10.863 -4.329 1.044 449 HA3 GLY 56 3HA GLY 56 -10.246 -5.932 0.666 450 H SER 57 H SER 57 -8.450 -5.491 3.226 451 HA SER 57 HA SER 57 -10.475 -5.929 5.382 452 HB2 SER 57 2HB SER 57 -8.077 -7.731 4.832 453 HB3 SER 57 3HB SER 57 -9.167 -7.855 6.218 454 HG SER 57 HG SER 57 -10.868 -8.350 4.776 455 H ASN 58 H ASN 58 -9.760 -5.358 7.465 456 HA ASN 58 HA ASN 58 -7.518 -3.488 7.590 457 HB2 ASN 58 2HB ASN 58 -9.809 -3.419 8.880 458 HB3 ASN 58 3HB ASN 58 -9.049 -4.555 9.989 459 HD21 ASN 58 1HD2 ASN 58 -9.762 -2.372 11.247 460 HD22 ASN 58 2HD2 ASN 58 -8.408 -1.245 11.414 461 H TYR 59 H TYR 59 -5.903 -3.681 9.394 462 HA TYR 59 HA TYR 59 -4.306 -6.076 9.193 463 HB2 TYR 59 2HB TYR 59 -4.166 -3.781 11.183 464 HB3 TYR 59 3HB TYR 59 -2.899 -4.963 10.885 465 HD1 TYR 59 2HD TYR 59 -2.009 -5.148 8.418 466 HD2 TYR 59 1HD TYR 59 -4.147 -1.751 9.966 467 HE1 TYR 59 2HE TYR 59 -0.968 -3.705 6.683 468 HE2 TYR 59 1HE TYR 59 -3.142 -0.312 8.178 469 HH TYR 59 HH TYR 59 -0.725 -1.615 5.884 470 H LYS 60 H LYS 60 -4.055 -7.765 10.531 471 HA LYS 60 HA LYS 60 -5.725 -8.026 13.020 472 HB2 LYS 60 2HB LYS 60 -5.051 -10.073 10.878 473 HB3 LYS 60 3HB LYS 60 -5.684 -10.510 12.465 474 HG2 LYS 60 2HG LYS 60 -7.645 -8.955 12.041 475 HG3 LYS 60 3HG LYS 60 -7.108 -8.843 10.358 476 HD2 LYS 60 2HD LYS 60 -7.788 -11.424 11.847 477 HD3 LYS 60 3HD LYS 60 -8.889 -10.573 10.758 478 HE2 LYS 60 2HE LYS 60 -7.461 -10.969 8.848 479 HE3 LYS 60 3HE LYS 60 -6.160 -11.596 9.865 480 HZ1 LYS 60 3HZ LYS 60 -7.439 -13.388 8.826 481 HZ2 LYS 60 1HZ LYS 60 -8.810 -12.900 9.564 482 HZ3 LYS 60 2HZ LYS 60 -7.563 -13.476 10.449 483 H SER 61 H SER 61 -2.524 -7.812 12.102 484 HA SER 61 HA SER 61 -1.670 -8.939 14.724 485 HB2 SER 61 2HB SER 61 -0.187 -9.408 12.104 486 HB3 SER 61 3HB SER 61 0.378 -9.866 13.716 487 HG SER 61 HG SER 61 -1.407 -11.284 13.881 488 H LEU 62 H LEU 62 -0.057 -7.837 15.727 489 HA LEU 62 HA LEU 62 0.315 -5.070 15.260 490 HB2 LEU 62 2HB LEU 62 1.787 -7.169 16.875 491 HB3 LEU 62 3HB LEU 62 2.438 -5.545 16.753 492 HG LEU 62 HG LEU 62 0.605 -4.541 17.860 493 HD11 LEU 62 1HD1 LEU 62 -1.346 -5.766 18.724 494 HD12 LEU 62 2HD1 LEU 62 -0.826 -7.232 17.864 495 HD13 LEU 62 3HD1 LEU 62 -1.313 -5.772 16.962 496 HD21 LEU 62 3HD2 LEU 62 2.267 -5.648 19.287 497 HD22 LEU 62 1HD2 LEU 62 1.352 -7.173 19.215 498 HD23 LEU 62 2HD2 LEU 62 0.668 -5.766 20.038 499 H GLU 63 H GLU 63 2.473 -7.769 14.411 500 HA GLU 63 HA GLU 63 4.679 -6.405 13.416 501 HB2 GLU 63 2HB GLU 63 3.457 -8.996 12.383 502 HB3 GLU 63 3HB GLU 63 5.073 -8.424 11.978 503 HG2 GLU 63 2HG GLU 63 4.092 -9.117 14.783 504 HG3 GLU 63 3HG GLU 63 5.080 -10.143 13.754 505 H VAL 64 H VAL 64 1.921 -7.459 11.350 506 HA VAL 64 HA VAL 64 2.943 -6.128 9.006 507 HB VAL 64 HB VAL 64 1.433 -7.998 8.818 508 HG11 VAL 64 1HG1 VAL 64 -0.743 -6.201 9.959 509 HG12 VAL 64 2HG1 VAL 64 -1.018 -7.747 9.128 510 HG13 VAL 64 3HG1 VAL 64 -0.112 -7.709 10.640 511 HG21 VAL 64 3HG2 VAL 64 1.617 -6.413 6.955 512 HG22 VAL 64 1HG2 VAL 64 0.016 -7.166 7.024 513 HG23 VAL 64 2HG2 VAL 64 0.236 -5.497 7.583 514 H LEU 65 H LEU 65 0.718 -5.026 11.556 515 HA LEU 65 HA LEU 65 -0.066 -2.590 10.303 516 HB2 LEU 65 2HB LEU 65 -0.842 -3.866 12.556 517 HB3 LEU 65 3HB LEU 65 0.273 -2.748 13.294 518 HG LEU 65 HG LEU 65 -2.403 -2.304 12.038 519 HD11 LEU 65 1HD1 LEU 65 -2.666 -0.809 13.973 520 HD12 LEU 65 2HD1 LEU 65 -0.944 -0.966 14.345 521 HD13 LEU 65 3HD1 LEU 65 -2.013 -2.372 14.491 522 HD21 LEU 65 3HD2 LEU 65 -2.079 0.151 11.860 523 HD22 LEU 65 1HD2 LEU 65 -1.190 -0.740 10.628 524 HD23 LEU 65 2HD2 LEU 65 -0.330 -0.097 12.038 525 H VAL 66 H VAL 66 2.522 -3.183 12.735 526 HA VAL 66 HA VAL 66 3.518 -0.482 12.623 527 HB VAL 66 HB VAL 66 5.275 -1.099 14.067 528 HG11 VAL 66 1HG1 VAL 66 2.672 -2.498 14.811 529 HG12 VAL 66 2HG1 VAL 66 3.971 -2.129 15.930 530 HG13 VAL 66 3HG1 VAL 66 3.116 -0.809 15.106 531 HG21 VAL 66 3HG2 VAL 66 6.105 -3.181 13.166 532 HG22 VAL 66 1HG2 VAL 66 5.651 -3.419 14.854 533 HG23 VAL 66 2HG2 VAL 66 4.592 -4.011 13.564 534 H ALA 67 H ALA 67 4.556 -3.420 10.900 535 HA ALA 67 HA ALA 67 6.869 -2.299 9.653 536 HB1 ALA 67 1HB ALA 67 6.375 -4.700 9.636 537 HB2 ALA 67 2HB ALA 67 4.920 -4.417 8.650 538 HB3 ALA 67 3HB ALA 67 6.530 -4.085 7.980 539 H ASP 68 H ASP 68 3.425 -2.387 8.539 540 HA ASP 68 HA ASP 68 3.904 -0.782 6.199 541 HB2 ASP 68 2HB ASP 68 1.410 -1.498 7.762 542 HB3 ASP 68 3HB ASP 68 1.380 -0.328 6.455 543 H LEU 69 H LEU 69 2.993 0.185 9.548 544 HA LEU 69 HA LEU 69 2.736 2.977 9.066 545 HB2 LEU 69 2HB LEU 69 3.633 1.402 11.487 546 HB3 LEU 69 3HB LEU 69 3.590 3.152 11.509 547 HG LEU 69 HG LEU 69 1.119 1.560 10.773 548 HD11 LEU 69 1HD1 LEU 69 1.937 2.545 13.539 549 HD12 LEU 69 2HD1 LEU 69 1.922 0.846 13.024 550 HD13 LEU 69 3HD1 LEU 69 0.417 1.732 13.092 551 HD21 LEU 69 3HD2 LEU 69 -0.020 3.620 11.565 552 HD22 LEU 69 1HD2 LEU 69 1.080 3.981 10.230 553 HD23 LEU 69 2HD2 LEU 69 1.552 4.368 11.899 554 H VAL 70 H VAL 70 5.760 1.286 10.147 555 HA VAL 70 HA VAL 70 7.337 3.671 9.856 556 HB VAL 70 HB VAL 70 9.333 2.378 10.031 557 HG11 VAL 70 1HG1 VAL 70 7.295 1.221 11.941 558 HG12 VAL 70 2HG1 VAL 70 9.029 1.449 12.211 559 HG13 VAL 70 3HG1 VAL 70 7.974 2.865 12.062 560 HG21 VAL 70 3HG2 VAL 70 7.641 -0.134 9.844 561 HG22 VAL 70 1HG2 VAL 70 8.831 0.411 8.647 562 HG23 VAL 70 2HG2 VAL 70 9.360 -0.062 10.266 563 H ASN 71 H ASN 71 6.255 1.455 7.420 564 HA ASN 71 HA ASN 71 8.175 2.406 5.405 565 HB2 ASN 71 2HB ASN 71 7.220 0.076 5.456 566 HB3 ASN 71 3HB ASN 71 5.639 0.751 5.065 567 HD21 ASN 71 1HD2 ASN 71 5.259 0.230 2.900 568 HD22 ASN 71 2HD2 ASN 71 6.474 0.443 1.646 569 H ALA 72 H ALA 72 4.647 2.865 6.009 570 HA ALA 72 HA ALA 72 4.136 4.575 3.816 571 HB1 ALA 72 1HB ALA 72 2.039 5.070 5.037 572 HB2 ALA 72 2HB ALA 72 2.413 3.338 5.061 573 HB3 ALA 72 3HB ALA 72 2.717 4.333 6.505 574 H GLN 73 H GLN 73 5.320 5.387 7.062 575 HA GLN 73 HA GLN 73 5.006 8.247 6.766 576 HB2 GLN 73 2HB GLN 73 6.238 8.432 8.806 577 HB3 GLN 73 3HB GLN 73 5.108 7.083 8.932 578 HG2 GLN 73 2HG GLN 73 6.998 5.496 8.485 579 HG3 GLN 73 3HG GLN 73 8.104 6.858 8.374 580 HE21 GLN 73 1HE2 GLN 73 9.413 6.246 10.180 581 HE22 GLN 73 2HE2 GLN 73 8.752 6.635 11.769 582 H LYS 74 H LYS 74 7.294 6.179 5.273 583 HA LYS 74 HA LYS 74 9.530 8.077 5.119 584 HB2 LYS 74 2HB LYS 74 8.890 5.624 3.418 585 HB3 LYS 74 3HB LYS 74 10.398 6.533 3.379 586 HG2 LYS 74 2HG LYS 74 10.851 5.976 5.737 587 HG3 LYS 74 3HG LYS 74 9.324 5.088 5.829 588 HD2 LYS 74 2HD LYS 74 10.113 3.505 4.098 589 HD3 LYS 74 3HD LYS 74 11.657 4.381 4.000 590 HE2 LYS 74 2HE LYS 74 12.084 3.907 6.399 591 HE3 LYS 74 3HE LYS 74 10.535 3.073 6.522 592 HZ1 LYS 74 3HZ LYS 74 11.352 1.428 4.921 593 HZ2 LYS 74 1HZ LYS 74 12.357 1.503 6.205 594 HZ3 LYS 74 2HZ LYS 74 12.789 2.194 4.794 595 H ASP 75 H ASP 75 10.274 8.949 3.063 596 HA ASP 75 HA ASP 75 8.199 9.541 1.028 597 HB2 ASP 75 2HB ASP 75 8.265 11.406 2.719 598 HB3 ASP 75 3HB ASP 75 9.955 11.677 2.298 599 H SER 76 H SER 76 9.090 10.273 -0.967 600 HA SER 76 HA SER 76 11.463 8.766 -1.809 601 HB2 SER 76 2HB SER 76 9.407 9.023 -3.193 602 HB3 SER 76 3HB SER 76 9.752 10.756 -3.354 603 HG SER 76 HG SER 76 10.538 9.468 -5.125 604 H MET 77 H MET 77 10.627 12.204 -1.422 605 HA MET 77 HA MET 77 13.258 13.246 -2.154 606 HB2 MET 77 2HB MET 77 10.905 14.495 -0.664 607 HB3 MET 77 3HB MET 77 12.343 15.373 -1.181 608 HG2 MET 77 2HG MET 77 10.408 13.931 -3.037 609 HG3 MET 77 3HG MET 77 10.403 15.657 -2.715 610 HE1 MET 77 3HE MET 77 13.446 17.057 -4.601 611 HE2 MET 77 1HE MET 77 11.884 17.406 -3.830 612 HE3 MET 77 2HE MET 77 13.239 16.785 -2.858 613 H GLN 78 H GLN 78 14.780 14.183 -0.761 614 HA GLN 78 HA GLN 78 14.636 13.540 2.140 615 HB2 GLN 78 2HB GLN 78 16.029 11.879 0.733 616 HB3 GLN 78 3HB GLN 78 17.178 13.193 0.510 617 HG2 GLN 78 2HG GLN 78 17.904 11.782 2.347 618 HG3 GLN 78 3HG GLN 78 17.423 13.335 3.022 619 HE21 GLN 78 1HE2 GLN 78 16.337 9.916 2.567 620 HE22 GLN 78 2HE2 GLN 78 15.148 10.009 3.874 621 H ASP 79 H ASP 79 13.819 15.876 1.241 622 HA ASP 79 HA ASP 79 15.822 17.969 1.147 623 HB2 ASP 79 2HB ASP 79 13.631 18.149 0.048 624 HB3 ASP 79 3HB ASP 79 12.816 18.076 1.610 625 H GLU 80 H GLU 80 17.139 17.926 2.910 626 HA GLU 80 HA GLU 80 15.976 18.561 5.602 627 HB2 GLU 80 2HB GLU 80 18.424 16.877 4.937 628 HB3 GLU 80 3HB GLU 80 17.972 17.425 6.552 629 HG2 GLU 80 2HG GLU 80 15.825 16.165 6.367 630 HG3 GLU 80 3HG GLU 80 16.344 15.538 4.799 631 H SER 81 H SER 81 16.917 20.162 6.760 632 HA SER 81 HA SER 81 19.407 21.510 5.859 633 HB2 SER 81 2HB SER 81 16.738 22.925 6.255 634 HB3 SER 81 3HB SER 81 18.310 23.738 6.196 635 HG SER 81 HG SER 81 17.215 22.110 4.124 636 H SER 82 H SER 82 20.641 21.248 7.598 637 HA SER 82 HA SER 82 19.694 22.165 10.275 638 HB2 SER 82 2HB SER 82 21.243 19.590 9.769 639 HB3 SER 82 3HB SER 82 20.824 20.257 11.353 640 HG SER 82 HG SER 82 18.606 19.989 10.807 641 H GLN 83 H GLN 83 21.371 22.784 11.703 642 HA GLN 83 HA GLN 83 24.055 23.359 10.504 643 HB2 GLN 83 2HB GLN 83 22.231 25.191 12.095 644 HB3 GLN 83 3HB GLN 83 23.962 25.475 11.947 645 HG2 GLN 83 2HG GLN 83 22.075 25.264 9.559 646 HG3 GLN 83 3HG GLN 83 22.556 26.773 10.330 647 HE21 GLN 83 1HE2 GLN 83 25.035 27.202 10.438 648 HE22 GLN 83 2HE2 GLN 83 25.938 26.647 9.032 649 H THR 84 H THR 84 24.805 21.462 11.424 650 HA THR 84 HA THR 84 25.553 21.681 14.302 651 HB THR 84 HB THR 84 25.476 19.167 14.410 652 HG1 THR 84 1HG THR 84 24.081 18.156 12.909 653 HG21 THR 84 3HG2 THR 84 23.694 20.531 15.443 654 HG22 THR 84 1HG2 THR 84 23.086 18.984 14.834 655 HG23 THR 84 2HG2 THR 84 22.771 20.478 13.923 656 H SER 85 H SER 85 27.508 20.573 14.849 657 HA SER 85 HA SER 85 29.469 20.264 12.611 658 HB2 SER 85 2HB SER 85 31.130 21.199 14.195 659 HB3 SER 85 3HB SER 85 29.831 22.325 13.790 660 HG SER 85 HG SER 85 29.245 22.364 15.812 661 H LEU 86 H LEU 86 27.864 18.399 14.731 662 HA LEU 86 HA LEU 86 29.924 16.823 15.963 663 HB2 LEU 86 2HB LEU 86 28.132 15.443 16.745 664 HB3 LEU 86 3HB LEU 86 27.643 17.119 16.821 665 HG LEU 86 HG LEU 86 26.549 16.520 14.405 666 HD11 LEU 86 1HD1 LEU 86 26.449 13.883 15.944 667 HD12 LEU 86 2HD1 LEU 86 27.283 14.133 14.402 668 HD13 LEU 86 3HD1 LEU 86 25.530 14.273 14.476 669 HD21 LEU 86 3HD2 LEU 86 25.310 15.800 17.089 670 HD22 LEU 86 1HD2 LEU 86 24.429 16.107 15.575 671 HD23 LEU 86 2HD2 LEU 86 25.338 17.414 16.346 672 H GLN 87 H GLN 87 28.625 16.682 12.757 673 HA GLN 87 HA GLN 87 29.058 13.881 12.206 674 HB2 GLN 87 2HB GLN 87 28.756 16.351 10.450 675 HB3 GLN 87 3HB GLN 87 29.006 14.749 9.768 676 HG2 GLN 87 2HG GLN 87 26.689 15.445 11.630 677 HG3 GLN 87 3HG GLN 87 26.604 15.456 9.870 678 HE21 GLN 87 1HE2 GLN 87 27.011 13.328 8.702 679 HE22 GLN 87 2HE2 GLN 87 26.609 11.860 9.588 680 H LYS 88 H LYS 88 30.593 12.943 10.801 681 HA LYS 88 HA LYS 88 33.268 14.243 10.604 682 HB2 LYS 88 2HB LYS 88 34.400 12.272 11.420 683 HB3 LYS 88 3HB LYS 88 33.271 12.876 12.609 684 HG2 LYS 88 2HG LYS 88 33.038 10.595 12.782 685 HG3 LYS 88 3HG LYS 88 31.633 11.040 11.821 686 HD2 LYS 88 2HD LYS 88 32.756 10.217 9.773 687 HD3 LYS 88 3HD LYS 88 34.251 9.929 10.691 688 HE2 LYS 88 2HE LYS 88 33.044 8.284 12.109 689 HE3 LYS 88 3HE LYS 88 31.556 8.586 11.202 690 HZ1 LYS 88 3HZ LYS 88 32.707 6.612 10.385 691 HZ2 LYS 88 1HZ LYS 88 34.057 7.463 10.054 692 HZ3 LYS 88 2HZ LYS 88 32.678 7.740 9.209 693 H GLU 89 H GLU 89 34.761 13.016 9.223 694 HA GLU 89 HA GLU 89 33.503 11.660 6.876 695 HB2 GLU 89 2HB GLU 89 35.404 14.043 6.849 696 HB3 GLU 89 3HB GLU 89 35.097 13.040 5.442 697 HG2 GLU 89 2HG GLU 89 33.007 14.691 6.931 698 HG3 GLU 89 3HG GLU 89 33.807 15.153 5.438 699 H ILE 90 H ILE 90 34.891 10.231 5.773 700 HA ILE 90 HA ILE 90 37.675 9.927 6.560 701 HB ILE 90 HB ILE 90 36.439 8.661 8.313 702 HG12 ILE 90 2HG1 ILE 90 38.142 6.874 6.537 703 HG13 ILE 90 3HG1 ILE 90 38.769 8.142 7.598 704 HG21 ILE 90 1HG2 ILE 90 34.529 7.862 6.887 705 HG22 ILE 90 2HG2 ILE 90 35.635 6.708 6.114 706 HG23 ILE 90 3HG2 ILE 90 35.282 6.581 7.843 707 HD11 ILE 90 3HD1 ILE 90 38.989 6.020 8.717 708 HD12 ILE 90 1HD1 ILE 90 37.752 6.969 9.562 709 HD13 ILE 90 2HD1 ILE 90 37.279 5.638 8.477 710 H SER 91 H SER 91 38.907 8.887 5.039 711 HA SER 91 HA SER 91 37.670 7.661 2.626 712 HB2 SER 91 2HB SER 91 39.554 10.052 2.583 713 HB3 SER 91 3HB SER 91 39.139 9.066 1.171 714 HG SER 91 HG SER 91 37.847 10.981 1.380 715 H THR 92 H THR 92 38.655 5.712 2.482 716 HA THR 92 HA THR 92 41.251 5.029 3.501 717 HB THR 92 HB THR 92 40.991 3.031 1.942 718 HG1 THR 92 1HG THR 92 38.935 2.804 1.020 719 HG21 THR 92 3HG2 THR 92 38.663 3.632 3.824 720 HG22 THR 92 1HG2 THR 92 40.240 2.963 4.295 721 HG23 THR 92 2HG2 THR 92 39.165 2.028 3.245 722 H GLU 93 H GLU 93 40.282 6.471 0.467 723 HA GLU 93 HA GLU 93 42.603 6.057 -1.101 724 HB2 GLU 93 2HB GLU 93 40.468 7.052 -1.877 725 HB3 GLU 93 3HB GLU 93 40.829 8.526 -0.963 726 HG2 GLU 93 2HG GLU 93 42.812 8.937 -2.361 727 HG3 GLU 93 3HG GLU 93 42.600 7.376 -3.162 728 H GLU 94 H GLU 94 42.052 8.524 1.458 729 HA GLU 94 HA GLU 94 44.554 9.923 1.036 730 HB2 GLU 94 2HB GLU 94 42.685 9.778 3.438 731 HB3 GLU 94 3HB GLU 94 44.126 10.798 3.358 732 HG2 GLU 94 2HG GLU 94 43.221 11.942 1.347 733 HG3 GLU 94 3HG GLU 94 41.761 10.956 1.442 734 H GLN 95 H GLN 95 43.734 7.027 2.845 735 HA GLN 95 HA GLN 95 46.249 6.864 4.325 736 HB2 GLN 95 2HB GLN 95 44.343 4.593 3.628 737 HB3 GLN 95 3HB GLN 95 45.575 4.608 4.877 738 HG2 GLN 95 2HG GLN 95 43.012 6.267 4.832 739 HG3 GLN 95 3HG GLN 95 43.359 4.883 5.857 740 HE21 GLN 95 1HE2 GLN 95 45.256 5.150 7.464 741 HE22 GLN 95 2HE2 GLN 95 45.483 6.780 8.092 742 H LEU 96 H LEU 96 44.993 5.359 1.336 743 HA LEU 96 HA LEU 96 47.429 3.995 0.611 744 HB2 LEU 96 2HB LEU 96 44.998 4.886 -0.986 745 HB3 LEU 96 3HB LEU 96 46.300 3.923 -1.679 746 HG LEU 96 HG LEU 96 44.659 3.024 0.735 747 HD11 LEU 96 1HD1 LEU 96 44.376 2.274 -2.203 748 HD12 LEU 96 2HD1 LEU 96 43.227 3.239 -1.247 749 HD13 LEU 96 3HD1 LEU 96 43.496 1.537 -0.843 750 HD21 LEU 96 3HD2 LEU 96 46.564 1.523 -1.121 751 HD22 LEU 96 1HD2 LEU 96 45.558 0.782 0.142 752 HD23 LEU 96 2HD2 LEU 96 46.847 1.897 0.594 753 H ARG 97 H ARG 97 46.306 7.272 -0.092 754 HA ARG 97 HA ARG 97 48.269 8.099 -1.954 755 HB2 ARG 97 2HB ARG 97 46.222 9.321 -1.193 756 HB3 ARG 97 3HB ARG 97 47.045 9.766 0.293 757 HG2 ARG 97 2HG ARG 97 48.046 10.522 -2.491 758 HG3 ARG 97 3HG ARG 97 46.882 11.474 -1.574 759 HD2 ARG 97 2HD ARG 97 48.652 11.542 0.323 760 HD3 ARG 97 3HD ARG 97 49.790 10.966 -0.894 761 HE ARG 97 HE ARG 97 49.734 13.023 -1.976 762 HH11 ARG 97 1HH1 ARG 97 47.212 13.085 0.454 763 HH12 ARG 97 2HH1 ARG 97 46.937 14.793 0.252 764 HH21 ARG 97 1HH2 ARG 97 49.332 15.188 -2.186 765 HH22 ARG 97 2HH2 ARG 97 48.112 15.944 -1.206 766 H ARG 98 H ARG 98 48.519 8.108 1.594 767 HA ARG 98 HA ARG 98 51.313 8.984 1.660 768 HB2 ARG 98 2HB ARG 98 49.502 7.681 3.745 769 HB3 ARG 98 3HB ARG 98 51.157 8.169 4.082 770 HG2 ARG 98 2HG ARG 98 48.934 10.069 3.218 771 HG3 ARG 98 3HG ARG 98 49.527 9.824 4.867 772 HD2 ARG 98 2HD ARG 98 51.827 10.521 4.073 773 HD3 ARG 98 3HD ARG 98 51.093 10.958 2.515 774 HE ARG 98 HE ARG 98 49.693 12.228 4.690 775 HH11 ARG 98 1HH1 ARG 98 52.681 12.558 2.901 776 HH12 ARG 98 2HH1 ARG 98 52.819 14.258 3.259 777 HH21 ARG 98 1HH2 ARG 98 49.926 14.387 5.126 778 HH22 ARG 98 2HH2 ARG 98 51.292 15.258 4.495 779 H LEU 99 H LEU 99 49.878 5.845 1.273 780 HA LEU 99 HA LEU 99 52.125 4.255 2.061 781 HB2 LEU 99 2HB LEU 99 49.612 3.658 1.574 782 HB3 LEU 99 3HB LEU 99 50.130 3.461 -0.088 783 HG LEU 99 HG LEU 99 49.946 1.354 1.033 784 HD11 LEU 99 1HD1 LEU 99 51.805 1.611 -0.637 785 HD12 LEU 99 2HD1 LEU 99 52.022 0.307 0.543 786 HD13 LEU 99 3HD1 LEU 99 52.927 1.813 0.733 787 HD21 LEU 99 3HD2 LEU 99 51.275 0.668 2.934 788 HD22 LEU 99 1HD2 LEU 99 50.345 2.117 3.353 789 HD23 LEU 99 2HD2 LEU 99 52.085 2.244 3.005 790 H GLN 100 H GLN 100 51.171 5.543 -1.124 791 HA GLN 100 HA GLN 100 53.328 4.393 -2.620 792 HB2 GLN 100 2HB GLN 100 51.123 5.097 -3.519 793 HB3 GLN 100 3HB GLN 100 51.585 6.792 -3.313 794 HG2 GLN 100 2HG GLN 100 53.466 6.479 -4.899 795 HG3 GLN 100 3HG GLN 100 53.092 4.757 -5.029 796 HE21 GLN 100 1HE2 GLN 100 50.974 4.141 -6.067 797 HE22 GLN 100 2HE2 GLN 100 50.272 5.289 -7.203 798 H GLU 101 H GLU 101 55.378 4.812 -1.992 799 HA GLU 101 HA GLU 101 56.389 7.418 -1.186 800 HB2 GLU 101 2HB GLU 101 57.797 4.823 -1.949 801 HB3 GLU 101 3HB GLU 101 58.611 6.259 -1.316 802 HG2 GLU 101 2HG GLU 101 57.240 6.136 0.753 803 HG3 GLU 101 3HG GLU 101 56.469 4.666 0.154 804 H GLU 102 H GLU 102 58.016 8.663 -2.211 805 HA GLU 102 HA GLU 102 57.789 8.982 -5.112 806 HB2 GLU 102 2HB GLU 102 57.920 10.914 -3.603 807 HB3 GLU 102 3HB GLU 102 59.480 10.377 -3.000 808 HG2 GLU 102 2HG GLU 102 59.743 12.216 -4.571 809 HG3 GLU 102 3HG GLU 102 60.532 10.765 -5.164 810 H LYS 103 H LYS 103 60.528 8.254 -2.910 811 HA LYS 103 HA LYS 103 62.431 7.808 -5.020 812 HB2 LYS 103 2HB LYS 103 62.975 8.576 -2.719 813 HB3 LYS 103 3HB LYS 103 62.586 6.966 -2.092 814 HG2 LYS 103 2HG LYS 103 64.412 5.970 -3.375 815 HG3 LYS 103 3HG LYS 103 64.702 7.499 -4.227 816 HD2 LYS 103 2HD LYS 103 65.351 8.576 -2.094 817 HD3 LYS 103 3HD LYS 103 65.073 7.045 -1.231 818 HE2 LYS 103 2HE LYS 103 66.811 5.938 -2.577 819 HE3 LYS 103 3HE LYS 103 67.038 7.403 -3.541 820 HZ1 LYS 103 3HZ LYS 103 67.591 7.195 -0.628 821 HZ2 LYS 103 1HZ LYS 103 67.810 8.538 -1.534 822 HZ3 LYS 103 2HZ LYS 103 68.724 7.215 -1.802 823 H LEU 104 H LEU 104 62.993 6.099 -6.109 824 HA LEU 104 HA LEU 104 61.453 3.704 -6.288 825 HB2 LEU 104 2HB LEU 104 62.691 4.787 -8.163 826 HB3 LEU 104 3HB LEU 104 64.219 4.378 -7.382 827 HG LEU 104 HG LEU 104 63.718 1.955 -7.669 828 HD11 LEU 104 1HD1 LEU 104 61.881 1.297 -9.216 829 HD12 LEU 104 2HD1 LEU 104 61.277 2.971 -9.199 830 HD13 LEU 104 3HD1 LEU 104 61.259 1.989 -7.716 831 HD21 LEU 104 3HD2 LEU 104 65.014 3.201 -9.358 832 HD22 LEU 104 1HD2 LEU 104 63.514 3.613 -10.217 833 HD23 LEU 104 2HD2 LEU 104 64.046 1.920 -10.106 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -9.544 9.651 24.733 2 H2 GLY 1 2H GLY 1 -8.055 10.223 24.369 3 H3 GLY 1 3H GLY 1 -8.271 8.623 24.642 4 HA2 GLY 1 2HA GLY 1 -9.349 10.157 22.362 5 HA3 GLY 1 3HA GLY 1 -8.027 8.984 22.291 6 H SER 2 H SER 2 -11.464 9.452 22.381 7 HA SER 2 HA SER 2 -11.955 6.739 21.434 8 HB2 SER 2 2HB SER 2 -12.124 6.601 23.972 9 HB3 SER 2 3HB SER 2 -13.500 7.717 23.864 10 HG SER 2 HG SER 2 -14.131 5.491 23.844 11 H ALA 3 H ALA 3 -14.397 6.579 20.921 12 HA ALA 3 HA ALA 3 -15.423 9.172 19.814 13 HB1 ALA 3 1HB ALA 3 -15.499 6.465 18.421 14 HB2 ALA 3 2HB ALA 3 -16.024 8.032 17.769 15 HB3 ALA 3 3HB ALA 3 -14.309 7.733 18.074 16 H MET 4 H MET 4 -17.715 9.135 19.257 17 HA MET 4 HA MET 4 -19.400 7.969 21.350 18 HB2 MET 4 2HB MET 4 -19.772 10.245 20.582 19 HB3 MET 4 3HB MET 4 -20.027 9.696 18.928 20 HG2 MET 4 2HG MET 4 -22.125 10.230 19.926 21 HG3 MET 4 3HG MET 4 -22.082 8.507 19.620 22 HE1 MET 4 3HE MET 4 -21.675 6.666 22.059 23 HE2 MET 4 1HE MET 4 -23.239 7.024 22.802 24 HE3 MET 4 2HE MET 4 -23.095 6.991 21.034 25 H ALA 5 H ALA 5 -19.591 7.754 17.734 26 HA ALA 5 HA ALA 5 -21.581 5.730 17.788 27 HB1 ALA 5 1HB ALA 5 -21.265 7.271 15.911 28 HB2 ALA 5 2HB ALA 5 -19.680 6.548 15.559 29 HB3 ALA 5 3HB ALA 5 -21.157 5.587 15.359 30 H ASP 6 H ASP 6 -21.587 3.589 17.690 31 HA ASP 6 HA ASP 6 -19.054 2.091 18.078 32 HB2 ASP 6 2HB ASP 6 -20.384 0.540 19.306 33 HB3 ASP 6 3HB ASP 6 -20.769 2.160 19.877 34 H ILE 7 H ILE 7 -21.681 2.357 15.822 35 HA ILE 7 HA ILE 7 -21.430 -0.238 14.595 36 HB ILE 7 HB ILE 7 -23.461 1.105 14.463 37 HG12 ILE 7 2HG1 ILE 7 -24.049 0.877 12.108 38 HG13 ILE 7 3HG1 ILE 7 -22.361 0.683 11.654 39 HG21 ILE 7 1HG2 ILE 7 -21.950 3.019 12.631 40 HG22 ILE 7 2HG2 ILE 7 -23.679 3.065 13.015 41 HG23 ILE 7 3HG2 ILE 7 -22.499 3.380 14.285 42 HD11 ILE 7 3HD1 ILE 7 -23.929 -1.212 13.468 43 HD12 ILE 7 1HD1 ILE 7 -23.603 -1.467 11.742 44 HD13 ILE 7 2HD1 ILE 7 -22.262 -1.461 12.894 45 H GLY 8 H GLY 8 -19.608 2.715 14.206 46 HA2 GLY 8 2HA GLY 8 -17.725 3.229 12.942 47 HA3 GLY 8 3HA GLY 8 -17.528 1.508 12.635 48 H SER 9 H SER 9 -17.185 1.396 10.518 49 HA SER 9 HA SER 9 -17.343 1.574 8.252 50 HB2 SER 9 2HB SER 9 -20.321 1.496 8.836 51 HB3 SER 9 3HB SER 9 -19.550 1.104 7.290 52 HG SER 9 HG SER 9 -18.465 -0.624 8.322 53 H GLU 10 H GLU 10 -16.631 3.895 9.044 54 HA GLU 10 HA GLU 10 -18.057 6.209 8.710 55 HB2 GLU 10 2HB GLU 10 -15.126 5.741 7.995 56 HB3 GLU 10 3HB GLU 10 -15.899 7.309 8.183 57 HG2 GLU 10 2HG GLU 10 -14.984 7.136 10.238 58 HG3 GLU 10 3HG GLU 10 -16.552 6.431 10.584 59 H PHE 11 H PHE 11 -16.143 4.783 6.047 60 HA PHE 11 HA PHE 11 -16.110 5.096 3.803 61 HB2 PHE 11 2HB PHE 11 -17.997 3.568 4.303 62 HB3 PHE 11 3HB PHE 11 -19.107 4.924 4.205 63 HD1 PHE 11 2HD PHE 11 -16.299 3.492 2.079 64 HD2 PHE 11 1HD PHE 11 -20.359 4.957 2.226 65 HE1 PHE 11 2HE PHE 11 -16.539 3.084 -0.353 66 HE2 PHE 11 1HE PHE 11 -20.596 4.530 -0.207 67 HZ PHE 11 HZ PHE 11 -18.686 3.602 -1.504 68 H GLU 12 H GLU 12 -16.137 7.661 5.215 69 HA GLU 12 HA GLU 12 -16.781 9.484 2.950 70 HB2 GLU 12 2HB GLU 12 -17.672 9.871 5.843 71 HB3 GLU 12 3HB GLU 12 -17.650 11.156 4.634 72 HG2 GLU 12 2HG GLU 12 -19.164 9.765 3.182 73 HG3 GLU 12 3HG GLU 12 -19.370 8.661 4.543 74 H LYS 13 H LYS 13 -15.969 11.814 3.806 75 HA LYS 13 HA LYS 13 -13.104 11.784 3.968 76 HB2 LYS 13 2HB LYS 13 -15.215 13.937 4.435 77 HB3 LYS 13 3HB LYS 13 -13.498 14.297 4.540 78 HG2 LYS 13 2HG LYS 13 -14.738 13.048 2.062 79 HG3 LYS 13 3HG LYS 13 -14.628 14.792 2.312 80 HD2 LYS 13 2HD LYS 13 -12.258 14.808 2.229 81 HD3 LYS 13 3HD LYS 13 -12.130 13.080 2.532 82 HE2 LYS 13 2HE LYS 13 -11.603 13.412 0.241 83 HE3 LYS 13 3HE LYS 13 -13.160 12.587 0.332 84 HZ1 LYS 13 3HZ LYS 13 -14.251 14.709 -0.123 85 HZ2 LYS 13 1HZ LYS 13 -13.156 14.412 -1.294 86 HZ3 LYS 13 2HZ LYS 13 -12.821 15.507 -0.132 87 H THR 14 H THR 14 -11.892 13.023 5.586 88 HA THR 14 HA THR 14 -11.736 11.515 7.959 89 HB THR 14 HB THR 14 -9.999 13.214 8.620 90 HG1 THR 14 1HG THR 14 -9.525 14.824 7.105 91 HG21 THR 14 3HG2 THR 14 -9.556 11.270 6.987 92 HG22 THR 14 1HG2 THR 14 -8.435 12.646 6.894 93 HG23 THR 14 2HG2 THR 14 -9.716 12.448 5.682 94 HA PRO 15 HA PRO 15 -14.350 13.639 10.861 95 HB2 PRO 15 2HB PRO 15 -13.157 13.102 13.264 96 HB3 PRO 15 3HB PRO 15 -13.939 11.832 12.273 97 HG2 PRO 15 2HG PRO 15 -10.990 12.569 12.351 98 HG3 PRO 15 3HG PRO 15 -11.720 10.944 12.519 99 HD2 PRO 15 2HD PRO 15 -10.777 11.785 10.151 100 HD3 PRO 15 3HD PRO 15 -12.299 10.846 10.236 101 H SER 16 H SER 16 -14.488 15.450 12.239 102 HA SER 16 HA SER 16 -12.614 17.631 11.867 103 HB2 SER 16 2HB SER 16 -14.913 17.319 13.837 104 HB3 SER 16 3HB SER 16 -14.143 18.845 13.358 105 HG SER 16 HG SER 16 -14.894 18.456 11.214 106 H LEU 17 H LEU 17 -11.745 18.877 13.755 107 HA LEU 17 HA LEU 17 -10.424 17.077 15.734 108 HB2 LEU 17 2HB LEU 17 -9.664 19.718 14.451 109 HB3 LEU 17 3HB LEU 17 -8.892 19.187 15.923 110 HG LEU 17 HG LEU 17 -7.501 18.678 14.066 111 HD11 LEU 17 1HD1 LEU 17 -6.987 16.367 14.493 112 HD12 LEU 17 2HD1 LEU 17 -8.614 16.047 15.113 113 HD13 LEU 17 3HD1 LEU 17 -7.511 17.117 16.009 114 HD21 LEU 17 3HD2 LEU 17 -9.249 18.370 12.305 115 HD22 LEU 17 1HD2 LEU 17 -9.575 16.751 12.971 116 HD23 LEU 17 2HD2 LEU 17 -7.982 17.134 12.307 117 H THR 18 H THR 18 -13.180 18.436 15.912 118 HA THR 18 HA THR 18 -12.953 20.133 18.292 119 HB THR 18 HB THR 18 -14.610 20.730 16.720 120 HG1 THR 18 1HG THR 18 -16.346 20.875 18.121 121 HG21 THR 18 3HG2 THR 18 -16.146 18.153 17.259 122 HG22 THR 18 1HG2 THR 18 -15.231 18.495 15.771 123 HG23 THR 18 2HG2 THR 18 -16.610 19.500 16.209 124 H ARG 19 H ARG 19 -14.352 16.874 17.746 125 HA ARG 19 HA ARG 19 -13.729 16.072 20.501 126 HB2 ARG 19 2HB ARG 19 -15.970 17.490 20.444 127 HB3 ARG 19 3HB ARG 19 -16.696 15.991 19.873 128 HG2 ARG 19 2HG ARG 19 -15.769 14.817 21.898 129 HG3 ARG 19 3HG ARG 19 -15.085 16.352 22.449 130 HD2 ARG 19 2HD ARG 19 -18.031 15.710 22.056 131 HD3 ARG 19 3HD ARG 19 -17.190 15.878 23.606 132 HE ARG 19 HE ARG 19 -16.709 18.304 22.434 133 HH11 ARG 19 1HH1 ARG 19 -19.706 16.650 23.105 134 HH12 ARG 19 2HH1 ARG 19 -20.642 18.120 23.045 135 HH21 ARG 19 1HH2 ARG 19 -17.934 20.132 22.335 136 HH22 ARG 19 2HH2 ARG 19 -19.645 20.048 22.626 137 H ARG 20 H ARG 20 -15.861 15.138 17.792 138 HA ARG 20 HA ARG 20 -15.584 12.265 18.158 139 HB2 ARG 20 2HB ARG 20 -16.476 14.006 15.814 140 HB3 ARG 20 3HB ARG 20 -16.244 12.277 15.630 141 HG2 ARG 20 2HG ARG 20 -18.538 12.593 15.994 142 HG3 ARG 20 3HG ARG 20 -17.884 11.831 17.445 143 HD2 ARG 20 2HD ARG 20 -17.953 13.983 18.634 144 HD3 ARG 20 3HD ARG 20 -18.481 14.804 17.144 145 HE ARG 20 HE ARG 20 -20.289 12.669 17.745 146 HH11 ARG 20 1HH1 ARG 20 -19.553 15.875 18.922 147 HH12 ARG 20 2HH1 ARG 20 -21.153 16.102 19.576 148 HH21 ARG 20 1HH2 ARG 20 -22.305 13.015 18.584 149 HH22 ARG 20 2HH2 ARG 20 -22.660 14.510 19.394 150 H ILE 21 H ILE 21 -14.456 10.803 16.893 151 HA ILE 21 HA ILE 21 -12.107 11.682 15.326 152 HB ILE 21 HB ILE 21 -10.599 10.145 16.424 153 HG12 ILE 21 2HG1 ILE 21 -12.859 9.575 18.386 154 HG13 ILE 21 3HG1 ILE 21 -12.162 8.443 17.224 155 HG21 ILE 21 1HG2 ILE 21 -10.786 12.522 17.184 156 HG22 ILE 21 2HG2 ILE 21 -11.798 11.964 18.536 157 HG23 ILE 21 3HG2 ILE 21 -10.115 11.421 18.388 158 HD11 ILE 21 3HD1 ILE 21 -9.931 8.754 18.459 159 HD12 ILE 21 1HD1 ILE 21 -10.868 9.567 19.723 160 HD13 ILE 21 2HD1 ILE 21 -11.212 7.874 19.310 161 H ASP 22 H ASP 22 -11.050 9.415 14.495 162 HA ASP 22 HA ASP 22 -12.953 8.299 12.666 163 HB2 ASP 22 2HB ASP 22 -10.163 8.369 12.952 164 HB3 ASP 22 3HB ASP 22 -10.542 6.674 13.187 165 H ASP 23 H ASP 23 -14.556 6.855 13.166 166 HA ASP 23 HA ASP 23 -14.774 5.599 15.721 167 HB2 ASP 23 2HB ASP 23 -16.189 4.879 13.137 168 HB3 ASP 23 3HB ASP 23 -16.688 4.405 14.764 169 H THR 24 H THR 24 -13.236 4.467 12.798 170 HA THR 24 HA THR 24 -12.756 1.766 13.393 171 HB THR 24 HB THR 24 -10.900 3.773 12.076 172 HG1 THR 24 1HG THR 24 -12.852 3.581 11.045 173 HG21 THR 24 3HG2 THR 24 -10.053 1.696 10.862 174 HG22 THR 24 1HG2 THR 24 -10.823 0.726 12.136 175 HG23 THR 24 2HG2 THR 24 -9.528 1.869 12.544 176 H ILE 25 H ILE 25 -11.320 4.588 14.988 177 HA ILE 25 HA ILE 25 -9.144 3.274 16.339 178 HB ILE 25 HB ILE 25 -10.816 5.695 17.113 179 HG12 ILE 25 2HG1 ILE 25 -7.980 5.626 15.979 180 HG13 ILE 25 3HG1 ILE 25 -9.388 5.747 14.945 181 HG21 ILE 25 1HG2 ILE 25 -9.800 4.830 19.142 182 HG22 ILE 25 2HG2 ILE 25 -8.221 4.696 18.341 183 HG23 ILE 25 3HG2 ILE 25 -8.957 6.284 18.654 184 HD11 ILE 25 3HD1 ILE 25 -8.477 7.935 15.266 185 HD12 ILE 25 1HD1 ILE 25 -10.029 7.850 16.116 186 HD13 ILE 25 2HD1 ILE 25 -8.494 7.765 17.022 187 H PHE 26 H PHE 26 -12.600 3.630 17.148 188 HA PHE 26 HA PHE 26 -12.317 2.245 19.706 189 HB2 PHE 26 2HB PHE 26 -13.980 4.029 19.349 190 HB3 PHE 26 3HB PHE 26 -14.768 3.065 18.108 191 HD1 PHE 26 2HD PHE 26 -13.512 1.971 21.523 192 HD2 PHE 26 1HD PHE 26 -16.927 2.724 18.985 193 HE1 PHE 26 2HE PHE 26 -14.997 0.983 23.227 194 HE2 PHE 26 1HE PHE 26 -18.413 1.748 20.720 195 HZ PHE 26 HZ PHE 26 -17.452 0.865 22.836 196 H GLN 27 H GLN 27 -13.535 1.354 16.446 197 HA GLN 27 HA GLN 27 -14.423 -1.245 17.258 198 HB2 GLN 27 2HB GLN 27 -15.170 -1.524 15.154 199 HB3 GLN 27 3HB GLN 27 -14.967 0.223 15.128 200 HG2 GLN 27 2HG GLN 27 -12.639 -0.256 14.074 201 HG3 GLN 27 3HG GLN 27 -13.177 -1.917 13.892 202 HE21 GLN 27 1HE2 GLN 27 -12.497 -0.873 11.562 203 HE22 GLN 27 2HE2 GLN 27 -13.901 -0.299 10.673 204 H ASN 28 H ASN 28 -11.211 -0.188 16.551 205 HA ASN 28 HA ASN 28 -10.238 -2.990 16.242 206 HB2 ASN 28 2HB ASN 28 -10.303 -0.956 14.329 207 HB3 ASN 28 3HB ASN 28 -8.647 -0.922 14.876 208 HD21 ASN 28 1HD2 ASN 28 -7.412 -3.053 14.756 209 HD22 ASN 28 2HD2 ASN 28 -7.957 -4.137 13.471 210 HA PRO 29 HA PRO 29 -8.294 -1.355 20.029 211 HB2 PRO 29 2HB PRO 29 -7.517 -3.722 21.196 212 HB3 PRO 29 3HB PRO 29 -9.199 -3.115 21.193 213 HG2 PRO 29 2HG PRO 29 -7.940 -5.106 19.282 214 HG3 PRO 29 3HG PRO 29 -9.486 -5.262 20.177 215 HD2 PRO 29 2HD PRO 29 -9.424 -4.438 17.603 216 HD3 PRO 29 3HD PRO 29 -10.562 -3.686 18.765 217 H MET 30 H MET 30 -6.744 -3.305 17.621 218 HA MET 30 HA MET 30 -3.994 -3.143 18.368 219 HB2 MET 30 2HB MET 30 -5.315 -3.087 15.622 220 HB3 MET 30 3HB MET 30 -3.594 -3.351 15.913 221 HG2 MET 30 2HG MET 30 -3.982 -5.425 17.032 222 HG3 MET 30 3HG MET 30 -5.714 -5.151 17.124 223 HE1 MET 30 3HE MET 30 -3.548 -6.100 13.130 224 HE2 MET 30 1HE MET 30 -3.731 -4.418 13.660 225 HE3 MET 30 2HE MET 30 -2.741 -5.544 14.616 226 H VAL 31 H VAL 31 -6.162 -0.628 17.230 227 HA VAL 31 HA VAL 31 -4.223 1.218 16.231 228 HB VAL 31 HB VAL 31 -6.981 1.675 17.424 229 HG11 VAL 31 1HG1 VAL 31 -5.089 3.649 16.087 230 HG12 VAL 31 2HG1 VAL 31 -6.831 3.884 16.220 231 HG13 VAL 31 3HG1 VAL 31 -5.853 3.783 17.686 232 HG21 VAL 31 3HG2 VAL 31 -6.845 0.400 15.253 233 HG22 VAL 31 1HG2 VAL 31 -7.665 1.954 15.091 234 HG23 VAL 31 2HG2 VAL 31 -5.989 1.771 14.537 235 H GLN 32 H GLN 32 -5.781 1.115 19.456 236 HA GLN 32 HA GLN 32 -4.418 3.150 20.787 237 HB2 GLN 32 2HB GLN 32 -5.281 0.406 21.800 238 HB3 GLN 32 3HB GLN 32 -4.784 1.717 22.856 239 HG2 GLN 32 2HG GLN 32 -7.115 2.027 20.910 240 HG3 GLN 32 3HG GLN 32 -7.302 1.324 22.512 241 HE21 GLN 32 1HE2 GLN 32 -6.797 2.685 24.437 242 HE22 GLN 32 2HE2 GLN 32 -6.909 4.431 24.243 243 H GLU 33 H GLU 33 -3.389 -0.223 20.481 244 HA GLU 33 HA GLU 33 -0.920 -0.081 21.884 245 HB2 GLU 33 2HB GLU 33 -2.070 -2.149 21.496 246 HB3 GLU 33 3HB GLU 33 -2.037 -1.932 19.753 247 HG2 GLU 33 2HG GLU 33 -0.436 -3.635 20.585 248 HG3 GLU 33 3HG GLU 33 0.295 -2.355 19.621 249 H ALA 34 H ALA 34 -1.574 0.496 18.375 250 HA ALA 34 HA ALA 34 1.192 0.787 17.657 251 HB1 ALA 34 1HB ALA 34 0.338 1.823 15.625 252 HB2 ALA 34 2HB ALA 34 -0.603 0.376 16.029 253 HB3 ALA 34 3HB ALA 34 -1.273 1.987 16.354 254 H ILE 35 H ILE 35 -1.245 3.306 18.603 255 HA ILE 35 HA ILE 35 0.616 5.507 18.570 256 HB ILE 35 HB ILE 35 -1.872 5.117 20.275 257 HG12 ILE 35 2HG1 ILE 35 -2.328 7.276 18.622 258 HG13 ILE 35 3HG1 ILE 35 -1.271 6.342 17.588 259 HG21 ILE 35 1HG2 ILE 35 -0.117 7.596 20.028 260 HG22 ILE 35 2HG2 ILE 35 -1.729 7.553 20.765 261 HG23 ILE 35 3HG2 ILE 35 -0.422 6.655 21.506 262 HD11 ILE 35 3HD1 ILE 35 -3.809 5.276 18.922 263 HD12 ILE 35 1HD1 ILE 35 -3.713 5.862 17.248 264 HD13 ILE 35 2HD1 ILE 35 -2.799 4.443 17.728 265 H ARG 36 H ARG 36 -0.088 3.140 21.144 266 HA ARG 36 HA ARG 36 1.445 4.293 23.193 267 HB2 ARG 36 2HB ARG 36 -0.154 2.249 23.227 268 HB3 ARG 36 3HB ARG 36 1.278 1.288 22.833 269 HG2 ARG 36 2HG ARG 36 2.397 2.284 24.888 270 HG3 ARG 36 3HG ARG 36 0.869 3.110 25.244 271 HD2 ARG 36 2HD ARG 36 -0.205 0.754 25.130 272 HD3 ARG 36 3HD ARG 36 1.437 0.119 25.220 273 HE ARG 36 HE ARG 36 -0.173 1.180 27.358 274 HH11 ARG 36 1HH1 ARG 36 3.261 1.172 26.505 275 HH12 ARG 36 2HH1 ARG 36 3.730 1.240 28.169 276 HH21 ARG 36 1HH2 ARG 36 0.527 1.346 29.421 277 HH22 ARG 36 2HH2 ARG 36 2.230 1.370 29.764 278 H MET 37 H MET 37 2.716 2.298 20.524 279 HA MET 37 HA MET 37 5.404 2.140 21.596 280 HB2 MET 37 2HB MET 37 4.520 2.048 18.680 281 HB3 MET 37 3HB MET 37 6.134 1.681 19.300 282 HG2 MET 37 2HG MET 37 4.825 -0.013 20.844 283 HG3 MET 37 3HG MET 37 3.611 0.088 19.571 284 HE1 MET 37 3HE MET 37 6.118 -1.007 16.507 285 HE2 MET 37 1HE MET 37 4.718 0.023 16.899 286 HE3 MET 37 2HE MET 37 6.370 0.585 17.244 287 H GLY 38 H GLY 38 3.724 4.819 20.174 288 HA2 GLY 38 2HA GLY 38 4.870 6.970 20.675 289 HA3 GLY 38 3HA GLY 38 6.276 6.343 19.816 290 H PHE 39 H PHE 39 3.550 5.375 18.088 291 HA PHE 39 HA PHE 39 3.925 7.352 15.963 292 HB2 PHE 39 2HB PHE 39 1.954 5.099 16.433 293 HB3 PHE 39 3HB PHE 39 1.928 6.118 15.001 294 HD1 PHE 39 2HD PHE 39 4.027 6.246 13.514 295 HD2 PHE 39 1HD PHE 39 3.306 3.107 16.385 296 HE1 PHE 39 2HE PHE 39 5.547 4.731 12.263 297 HE2 PHE 39 1HE PHE 39 4.798 1.602 15.123 298 HZ PHE 39 HZ PHE 39 5.906 2.398 13.067 299 H SER 40 H SER 40 2.026 8.474 14.988 300 HA SER 40 HA SER 40 0.486 10.042 16.976 301 HB2 SER 40 2HB SER 40 0.770 10.301 13.956 302 HB3 SER 40 3HB SER 40 -0.044 11.458 15.022 303 HG SER 40 HG SER 40 2.196 11.970 14.475 304 H PHE 41 H PHE 41 -1.724 9.976 17.193 305 HA PHE 41 HA PHE 41 -3.326 7.825 16.448 306 HB2 PHE 41 2HB PHE 41 -3.843 10.586 17.451 307 HB3 PHE 41 3HB PHE 41 -5.189 9.836 16.626 308 HD1 PHE 41 2HD PHE 41 -6.041 7.557 17.352 309 HD2 PHE 41 1HD PHE 41 -3.339 9.931 19.738 310 HE1 PHE 41 2HE PHE 41 -6.660 6.247 19.375 311 HE2 PHE 41 1HE PHE 41 -3.972 8.619 21.750 312 HZ PHE 41 HZ PHE 41 -5.628 6.773 21.564 313 H LYS 42 H LYS 42 -3.170 10.909 14.720 314 HA LYS 42 HA LYS 42 -4.969 10.435 12.619 315 HB2 LYS 42 2HB LYS 42 -3.943 12.613 13.050 316 HB3 LYS 42 3HB LYS 42 -2.351 11.990 12.640 317 HG2 LYS 42 2HG LYS 42 -3.175 13.335 10.813 318 HG3 LYS 42 3HG LYS 42 -3.023 11.671 10.298 319 HD2 LYS 42 2HD LYS 42 -5.046 12.550 9.354 320 HD3 LYS 42 3HD LYS 42 -5.487 11.361 10.565 321 HE2 LYS 42 2HE LYS 42 -6.994 13.194 10.823 322 HE3 LYS 42 3HE LYS 42 -5.898 13.257 12.204 323 HZ1 LYS 42 3HZ LYS 42 -6.241 15.448 11.168 324 HZ2 LYS 42 1HZ LYS 42 -5.645 14.925 9.746 325 HZ3 LYS 42 2HZ LYS 42 -4.671 15.030 11.054 326 H ASP 43 H ASP 43 -1.504 9.569 12.664 327 HA ASP 43 HA ASP 43 -1.463 8.434 10.019 328 HB2 ASP 43 2HB ASP 43 0.340 7.900 12.411 329 HB3 ASP 43 3HB ASP 43 0.621 7.276 10.790 330 H ILE 44 H ILE 44 -1.998 6.888 13.218 331 HA ILE 44 HA ILE 44 -2.141 4.229 12.145 332 HB ILE 44 HB ILE 44 -3.685 5.063 14.619 333 HG12 ILE 44 2HG1 ILE 44 -1.589 5.913 15.234 334 HG13 ILE 44 3HG1 ILE 44 -1.639 4.303 15.908 335 HG21 ILE 44 1HG2 ILE 44 -4.098 2.799 13.776 336 HG22 ILE 44 2HG2 ILE 44 -2.364 2.466 13.668 337 HG23 ILE 44 3HG2 ILE 44 -3.124 2.707 15.246 338 HD11 ILE 44 3HD1 ILE 44 0.072 5.334 13.684 339 HD12 ILE 44 1HD1 ILE 44 0.457 4.243 15.046 340 HD13 ILE 44 2HD1 ILE 44 -0.435 3.639 13.664 341 H LYS 45 H LYS 45 -4.798 6.514 12.971 342 HA LYS 45 HA LYS 45 -6.804 4.712 11.945 343 HB2 LYS 45 2HB LYS 45 -8.393 6.378 12.257 344 HB3 LYS 45 3HB LYS 45 -7.269 6.447 13.591 345 HG2 LYS 45 2HG LYS 45 -7.902 8.675 13.041 346 HG3 LYS 45 3HG LYS 45 -6.218 8.485 12.585 347 HD2 LYS 45 2HD LYS 45 -6.639 8.764 10.364 348 HD3 LYS 45 3HD LYS 45 -8.172 7.867 10.427 349 HE2 LYS 45 2HE LYS 45 -9.284 9.838 11.347 350 HE3 LYS 45 3HE LYS 45 -7.758 10.749 11.277 351 HZ1 LYS 45 3HZ LYS 45 -8.965 9.382 8.918 352 HZ2 LYS 45 1HZ LYS 45 -7.723 10.414 8.883 353 HZ3 LYS 45 2HZ LYS 45 -9.227 10.975 9.244 354 H LYS 46 H LYS 46 -4.881 7.183 10.337 355 HA LYS 46 HA LYS 46 -6.243 7.155 7.817 356 HB2 LYS 46 2HB LYS 46 -4.729 8.937 8.496 357 HB3 LYS 46 3HB LYS 46 -3.339 7.839 8.428 358 HG2 LYS 46 2HG LYS 46 -3.517 7.644 6.027 359 HG3 LYS 46 3HG LYS 46 -5.141 8.344 6.032 360 HD2 LYS 46 2HD LYS 46 -3.668 10.037 5.199 361 HD3 LYS 46 3HD LYS 46 -4.219 10.515 6.795 362 HE2 LYS 46 2HE LYS 46 -1.984 11.054 6.929 363 HE3 LYS 46 3HE LYS 46 -1.982 9.452 7.665 364 HZ1 LYS 46 3HZ LYS 46 -1.269 8.568 5.468 365 HZ2 LYS 46 1HZ LYS 46 -0.209 9.684 6.021 366 HZ3 LYS 46 2HZ LYS 46 -1.261 10.079 4.843 367 H ILE 47 H ILE 47 -3.316 5.334 8.867 368 HA ILE 47 HA ILE 47 -3.233 3.868 6.409 369 HB ILE 47 HB ILE 47 -1.358 4.190 8.146 370 HG12 ILE 47 2HG1 ILE 47 -1.772 1.543 6.714 371 HG13 ILE 47 3HG1 ILE 47 -1.242 3.051 5.971 372 HG21 ILE 47 1HG2 ILE 47 -0.961 2.292 9.665 373 HG22 ILE 47 2HG2 ILE 47 -2.429 3.143 10.095 374 HG23 ILE 47 3HG2 ILE 47 -2.514 1.580 9.248 375 HD11 ILE 47 3HD1 ILE 47 0.742 3.059 7.535 376 HD12 ILE 47 1HD1 ILE 47 0.296 1.391 7.985 377 HD13 ILE 47 2HD1 ILE 47 0.714 1.787 6.306 378 H MET 48 H MET 48 -4.899 3.131 9.476 379 HA MET 48 HA MET 48 -5.923 0.564 8.767 380 HB2 MET 48 2HB MET 48 -6.932 2.781 10.572 381 HB3 MET 48 3HB MET 48 -7.863 1.312 10.311 382 HG2 MET 48 2HG MET 48 -5.038 0.765 10.959 383 HG3 MET 48 3HG MET 48 -5.891 1.652 12.220 384 HE1 MET 48 3HE MET 48 -4.571 -1.360 12.192 385 HE2 MET 48 1HE MET 48 -5.191 -0.667 13.711 386 HE3 MET 48 2HE MET 48 -5.715 -2.283 13.182 387 H GLU 49 H GLU 49 -7.589 3.773 8.318 388 HA GLU 49 HA GLU 49 -9.762 2.586 6.907 389 HB2 GLU 49 2HB GLU 49 -10.531 4.739 6.356 390 HB3 GLU 49 3HB GLU 49 -9.918 4.768 8.005 391 HG2 GLU 49 2HG GLU 49 -7.832 5.845 7.164 392 HG3 GLU 49 3HG GLU 49 -8.523 5.904 5.546 393 H GLU 50 H GLU 50 -6.719 3.968 5.579 394 HA GLU 50 HA GLU 50 -7.424 3.437 2.825 395 HB2 GLU 50 2HB GLU 50 -4.962 4.243 4.286 396 HB3 GLU 50 3HB GLU 50 -4.672 3.255 2.872 397 HG2 GLU 50 2HG GLU 50 -4.601 5.601 2.277 398 HG3 GLU 50 3HG GLU 50 -5.881 4.753 1.424 399 H LYS 51 H LYS 51 -5.624 1.367 5.186 400 HA LYS 51 HA LYS 51 -5.053 -0.772 3.420 401 HB2 LYS 51 2HB LYS 51 -4.175 -0.535 5.752 402 HB3 LYS 51 3HB LYS 51 -5.768 -0.937 6.383 403 HG2 LYS 51 2HG LYS 51 -4.454 -2.899 6.527 404 HG3 LYS 51 3HG LYS 51 -5.568 -3.198 5.204 405 HD2 LYS 51 2HD LYS 51 -3.843 -2.869 3.551 406 HD3 LYS 51 3HD LYS 51 -2.771 -2.090 4.727 407 HE2 LYS 51 2HE LYS 51 -2.778 -4.304 6.016 408 HE3 LYS 51 3HE LYS 51 -3.541 -5.027 4.594 409 HZ1 LYS 51 3HZ LYS 51 -1.126 -5.266 4.510 410 HZ2 LYS 51 1HZ LYS 51 -0.880 -3.658 4.647 411 HZ3 LYS 51 2HZ LYS 51 -1.583 -4.273 3.299 412 H ILE 52 H ILE 52 -7.911 -0.375 5.506 413 HA ILE 52 HA ILE 52 -9.287 -2.711 4.547 414 HB ILE 52 HB ILE 52 -10.363 -0.205 5.892 415 HG12 ILE 52 2HG1 ILE 52 -10.025 -2.973 7.115 416 HG13 ILE 52 3HG1 ILE 52 -8.679 -1.845 7.121 417 HG21 ILE 52 1HG2 ILE 52 -11.700 -2.905 5.328 418 HG22 ILE 52 2HG2 ILE 52 -12.367 -1.677 6.416 419 HG23 ILE 52 3HG2 ILE 52 -12.209 -1.322 4.703 420 HD11 ILE 52 3HD1 ILE 52 -11.375 -1.074 8.302 421 HD12 ILE 52 1HD1 ILE 52 -10.106 -1.883 9.222 422 HD13 ILE 52 2HD1 ILE 52 -9.799 -0.287 8.516 423 H GLN 53 H GLN 53 -9.521 0.731 3.470 424 HA GLN 53 HA GLN 53 -11.521 0.303 1.505 425 HB2 GLN 53 2HB GLN 53 -10.913 2.500 2.388 426 HB3 GLN 53 3HB GLN 53 -9.304 2.379 1.673 427 HG2 GLN 53 2HG GLN 53 -10.696 3.868 0.370 428 HG3 GLN 53 3HG GLN 53 -10.282 2.461 -0.595 429 HE21 GLN 53 1HE2 GLN 53 -12.016 0.860 -1.044 430 HE22 GLN 53 2HE2 GLN 53 -13.696 1.385 -0.886 431 H ILE 54 H ILE 54 -7.964 0.173 1.146 432 HA ILE 54 HA ILE 54 -8.084 -0.347 -1.731 433 HB ILE 54 HB ILE 54 -5.800 -0.338 0.271 434 HG12 ILE 54 2HG1 ILE 54 -6.855 1.891 -0.110 435 HG13 ILE 54 3HG1 ILE 54 -5.178 1.803 -0.606 436 HG21 ILE 54 1HG2 ILE 54 -5.066 -1.763 -1.516 437 HG22 ILE 54 2HG2 ILE 54 -5.683 -0.648 -2.752 438 HG23 ILE 54 3HG2 ILE 54 -4.295 -0.193 -1.739 439 HD11 ILE 54 3HD1 ILE 54 -5.837 1.727 -2.971 440 HD12 ILE 54 1HD1 ILE 54 -7.559 1.678 -2.513 441 HD13 ILE 54 2HD1 ILE 54 -6.580 3.111 -2.161 442 H SER 55 H SER 55 -7.136 -2.343 1.111 443 HA SER 55 HA SER 55 -6.668 -4.688 -0.589 444 HB2 SER 55 2HB SER 55 -5.291 -3.936 1.434 445 HB3 SER 55 3HB SER 55 -6.597 -4.573 2.444 446 HG SER 55 HG SER 55 -6.259 -6.622 1.432 447 H GLY 56 H GLY 56 -9.297 -3.572 1.473 448 HA2 GLY 56 2HA GLY 56 -11.496 -4.371 1.365 449 HA3 GLY 56 3HA GLY 56 -10.942 -5.918 0.733 450 H SER 57 H SER 57 -8.966 -5.468 3.340 451 HA SER 57 HA SER 57 -10.861 -6.191 5.484 452 HB2 SER 57 2HB SER 57 -9.682 -8.230 6.106 453 HB3 SER 57 3HB SER 57 -10.306 -8.351 4.462 454 HG SER 57 HG SER 57 -7.631 -8.049 5.341 455 H ASN 58 H ASN 58 -9.754 -6.401 7.618 456 HA ASN 58 HA ASN 58 -7.946 -4.149 8.038 457 HB2 ASN 58 2HB ASN 58 -9.917 -4.710 9.501 458 HB3 ASN 58 3HB ASN 58 -9.095 -6.195 9.998 459 HD21 ASN 58 1HD2 ASN 58 -8.439 -2.638 9.763 460 HD22 ASN 58 2HD2 ASN 58 -7.608 -2.588 11.301 461 H TYR 59 H TYR 59 -6.072 -4.364 9.528 462 HA TYR 59 HA TYR 59 -3.984 -6.049 8.623 463 HB2 TYR 59 2HB TYR 59 -4.426 -4.316 11.079 464 HB3 TYR 59 3HB TYR 59 -2.966 -5.275 10.893 465 HD1 TYR 59 2HD TYR 59 -1.545 -5.052 8.867 466 HD2 TYR 59 1HD TYR 59 -4.602 -2.174 9.855 467 HE1 TYR 59 2HE TYR 59 -0.482 -3.410 7.353 468 HE2 TYR 59 1HE TYR 59 -3.529 -0.526 8.306 469 HH TYR 59 HH TYR 59 -0.754 -1.439 6.259 470 H LYS 60 H LYS 60 -3.091 -7.897 9.310 471 HA LYS 60 HA LYS 60 -4.678 -9.864 10.722 472 HB2 LYS 60 2HB LYS 60 -1.757 -9.921 9.837 473 HB3 LYS 60 3HB LYS 60 -2.650 -11.298 10.493 474 HG2 LYS 60 2HG LYS 60 -4.333 -11.027 8.628 475 HG3 LYS 60 3HG LYS 60 -3.272 -9.820 7.896 476 HD2 LYS 60 2HD LYS 60 -2.479 -12.700 8.524 477 HD3 LYS 60 3HD LYS 60 -3.052 -12.169 6.948 478 HE2 LYS 60 2HE LYS 60 -0.615 -10.940 8.303 479 HE3 LYS 60 3HE LYS 60 -0.498 -12.389 7.312 480 HZ1 LYS 60 3HZ LYS 60 -0.820 -11.222 5.416 481 HZ2 LYS 60 1HZ LYS 60 -0.278 -9.952 6.274 482 HZ3 LYS 60 2HZ LYS 60 -1.886 -10.165 6.048 483 H SER 61 H SER 61 -1.616 -8.317 11.598 484 HA SER 61 HA SER 61 -2.184 -8.444 14.499 485 HB2 SER 61 2HB SER 61 0.322 -9.677 13.260 486 HB3 SER 61 3HB SER 61 -0.002 -9.505 14.991 487 HG SER 61 HG SER 61 -1.793 -10.919 14.733 488 H LEU 62 H LEU 62 -0.377 -7.297 15.731 489 HA LEU 62 HA LEU 62 0.065 -4.690 14.712 490 HB2 LEU 62 2HB LEU 62 1.471 -6.234 16.937 491 HB3 LEU 62 3HB LEU 62 1.867 -4.579 16.532 492 HG LEU 62 HG LEU 62 0.500 -4.545 18.436 493 HD11 LEU 62 1HD1 LEU 62 0.120 -2.736 16.781 494 HD12 LEU 62 2HD1 LEU 62 -1.310 -3.072 17.766 495 HD13 LEU 62 3HD1 LEU 62 -1.241 -3.657 16.101 496 HD21 LEU 62 3HD2 LEU 62 -1.748 -5.378 18.608 497 HD22 LEU 62 1HD2 LEU 62 -0.672 -6.709 18.159 498 HD23 LEU 62 2HD2 LEU 62 -1.728 -5.959 16.934 499 H GLU 63 H GLU 63 2.163 -7.528 14.468 500 HA GLU 63 HA GLU 63 4.561 -6.434 13.560 501 HB2 GLU 63 2HB GLU 63 3.135 -8.926 12.536 502 HB3 GLU 63 3HB GLU 63 4.827 -8.525 12.225 503 HG2 GLU 63 2HG GLU 63 5.297 -8.582 14.662 504 HG3 GLU 63 3HG GLU 63 3.610 -8.999 14.979 505 H VAL 64 H VAL 64 1.732 -7.181 11.511 506 HA VAL 64 HA VAL 64 2.939 -6.141 9.065 507 HB VAL 64 HB VAL 64 -0.022 -6.601 9.570 508 HG11 VAL 64 1HG1 VAL 64 1.663 -6.771 7.025 509 HG12 VAL 64 2HG1 VAL 64 -0.096 -7.004 7.143 510 HG13 VAL 64 3HG1 VAL 64 0.608 -5.414 7.444 511 HG21 VAL 64 3HG2 VAL 64 0.312 -8.864 8.588 512 HG22 VAL 64 1HG2 VAL 64 2.072 -8.631 8.697 513 HG23 VAL 64 2HG2 VAL 64 1.074 -8.697 10.168 514 H LEU 65 H LEU 65 0.672 -4.895 11.495 515 HA LEU 65 HA LEU 65 -0.063 -2.476 10.229 516 HB2 LEU 65 2HB LEU 65 -0.805 -3.760 12.511 517 HB3 LEU 65 3HB LEU 65 0.240 -2.546 13.216 518 HG LEU 65 HG LEU 65 -2.384 -2.250 11.757 519 HD11 LEU 65 1HD1 LEU 65 -2.878 -0.848 13.760 520 HD12 LEU 65 2HD1 LEU 65 -1.237 -1.122 14.340 521 HD13 LEU 65 3HD1 LEU 65 -2.357 -2.488 14.188 522 HD21 LEU 65 3HD2 LEU 65 -2.174 0.208 11.755 523 HD22 LEU 65 1HD2 LEU 65 -1.039 -0.535 10.629 524 HD23 LEU 65 2HD2 LEU 65 -0.462 0.041 12.205 525 H VAL 66 H VAL 66 2.500 -2.983 12.698 526 HA VAL 66 HA VAL 66 3.511 -0.294 12.543 527 HB VAL 66 HB VAL 66 5.247 -0.894 13.998 528 HG11 VAL 66 1HG1 VAL 66 3.958 -1.915 15.868 529 HG12 VAL 66 2HG1 VAL 66 3.076 -0.626 15.025 530 HG13 VAL 66 3HG1 VAL 66 2.665 -2.327 14.755 531 HG21 VAL 66 3HG2 VAL 66 6.126 -2.948 13.127 532 HG22 VAL 66 1HG2 VAL 66 5.624 -3.226 14.796 533 HG23 VAL 66 2HG2 VAL 66 4.619 -3.814 13.458 534 H ALA 67 H ALA 67 4.458 -3.236 10.820 535 HA ALA 67 HA ALA 67 6.788 -2.149 9.542 536 HB1 ALA 67 1HB ALA 67 6.319 -4.548 9.593 537 HB2 ALA 67 2HB ALA 67 4.837 -4.312 8.636 538 HB3 ALA 67 3HB ALA 67 6.427 -3.981 7.916 539 H ASP 68 H ASP 68 3.367 -2.375 8.354 540 HA ASP 68 HA ASP 68 3.816 -0.803 5.999 541 HB2 ASP 68 2HB ASP 68 1.328 -1.472 7.593 542 HB3 ASP 68 3HB ASP 68 1.291 -0.380 6.217 543 H LEU 69 H LEU 69 2.920 0.220 9.318 544 HA LEU 69 HA LEU 69 2.582 2.995 8.833 545 HB2 LEU 69 2HB LEU 69 3.548 1.425 11.223 546 HB3 LEU 69 3HB LEU 69 3.549 3.174 11.259 547 HG LEU 69 HG LEU 69 1.025 1.631 10.608 548 HD11 LEU 69 1HD1 LEU 69 1.853 0.913 12.825 549 HD12 LEU 69 2HD1 LEU 69 0.417 1.886 12.965 550 HD13 LEU 69 3HD1 LEU 69 2.003 2.610 13.328 551 HD21 LEU 69 3HD2 LEU 69 -0.048 3.726 11.359 552 HD22 LEU 69 1HD2 LEU 69 1.053 4.060 10.025 553 HD23 LEU 69 2HD2 LEU 69 1.539 4.445 11.691 554 H VAL 70 H VAL 70 5.683 1.470 9.969 555 HA VAL 70 HA VAL 70 7.141 3.908 9.568 556 HB VAL 70 HB VAL 70 9.207 2.697 9.666 557 HG11 VAL 70 1HG1 VAL 70 9.055 1.833 11.882 558 HG12 VAL 70 2HG1 VAL 70 7.904 3.174 11.755 559 HG13 VAL 70 3HG1 VAL 70 7.330 1.485 11.703 560 HG21 VAL 70 3HG2 VAL 70 8.744 0.657 8.383 561 HG22 VAL 70 1HG2 VAL 70 9.332 0.261 9.999 562 HG23 VAL 70 2HG2 VAL 70 7.606 0.114 9.634 563 H ASN 71 H ASN 71 6.433 1.285 7.295 564 HA ASN 71 HA ASN 71 8.169 2.208 5.214 565 HB2 ASN 71 2HB ASN 71 7.187 -0.096 5.465 566 HB3 ASN 71 3HB ASN 71 5.640 0.549 4.904 567 HD21 ASN 71 1HD2 ASN 71 5.354 0.508 2.639 568 HD22 ASN 71 2HD2 ASN 71 6.706 0.330 1.527 569 H ALA 72 H ALA 72 4.669 2.862 5.810 570 HA ALA 72 HA ALA 72 4.291 4.590 3.543 571 HB1 ALA 72 1HB ALA 72 2.245 5.265 4.756 572 HB2 ALA 72 2HB ALA 72 2.447 3.504 4.769 573 HB3 ALA 72 3HB ALA 72 2.831 4.451 6.223 574 H GLN 73 H GLN 73 5.369 5.202 6.870 575 HA GLN 73 HA GLN 73 5.619 8.093 6.526 576 HB2 GLN 73 2HB GLN 73 6.295 6.126 8.739 577 HB3 GLN 73 3HB GLN 73 6.728 7.823 8.863 578 HG2 GLN 73 2HG GLN 73 3.872 6.877 8.389 579 HG3 GLN 73 3HG GLN 73 4.553 7.240 9.969 580 HE21 GLN 73 1HE2 GLN 73 2.822 8.655 7.380 581 HE22 GLN 73 2HE2 GLN 73 3.157 10.320 7.841 582 H LYS 74 H LYS 74 7.497 5.890 5.044 583 HA LYS 74 HA LYS 74 10.181 6.784 5.594 584 HB2 LYS 74 2HB LYS 74 8.925 5.489 3.151 585 HB3 LYS 74 3HB LYS 74 10.618 5.958 3.192 586 HG2 LYS 74 2HG LYS 74 9.352 4.015 5.139 587 HG3 LYS 74 3HG LYS 74 10.258 3.567 3.697 588 HD2 LYS 74 2HD LYS 74 12.259 4.770 4.644 589 HD3 LYS 74 3HD LYS 74 11.340 5.038 6.143 590 HE2 LYS 74 2HE LYS 74 11.035 2.595 6.405 591 HE3 LYS 74 3HE LYS 74 11.953 2.318 4.917 592 HZ1 LYS 74 3HZ LYS 74 13.033 3.591 7.379 593 HZ2 LYS 74 1HZ LYS 74 13.880 3.366 5.999 594 HZ3 LYS 74 2HZ LYS 74 13.374 2.081 6.865 595 H ASP 75 H ASP 75 10.411 8.850 5.772 596 HA ASP 75 HA ASP 75 10.777 10.475 3.368 597 HB2 ASP 75 2HB ASP 75 8.330 10.725 4.469 598 HB3 ASP 75 3HB ASP 75 9.187 11.767 5.592 599 H SER 76 H SER 76 11.481 12.826 4.466 600 HA SER 76 HA SER 76 13.913 12.501 5.998 601 HB2 SER 76 2HB SER 76 13.277 14.418 4.454 602 HB3 SER 76 3HB SER 76 12.216 15.008 5.748 603 HG SER 76 HG SER 76 14.291 15.974 5.841 604 H MET 77 H MET 77 14.244 13.701 8.079 605 HA MET 77 HA MET 77 12.871 12.486 10.251 606 HB2 MET 77 2HB MET 77 14.742 14.880 10.081 607 HB3 MET 77 3HB MET 77 14.051 14.336 11.604 608 HG2 MET 77 2HG MET 77 16.233 13.393 11.399 609 HG3 MET 77 3HG MET 77 15.026 12.122 11.348 610 HE1 MET 77 3HE MET 77 17.733 14.157 9.412 611 HE2 MET 77 1HE MET 77 17.670 13.472 7.774 612 HE3 MET 77 2HE MET 77 16.346 14.501 8.351 613 H GLN 78 H GLN 78 11.255 13.062 11.583 614 HA GLN 78 HA GLN 78 9.947 15.701 11.449 615 HB2 GLN 78 2HB GLN 78 9.021 13.979 9.678 616 HB3 GLN 78 3HB GLN 78 8.265 13.201 11.069 617 HG2 GLN 78 2HG GLN 78 7.017 15.301 11.548 618 HG3 GLN 78 3HG GLN 78 7.918 16.130 10.274 619 HE21 GLN 78 1HE2 GLN 78 6.436 16.528 8.607 620 HE22 GLN 78 2HE2 GLN 78 5.340 15.291 7.999 621 H ASP 79 H ASP 79 8.150 15.807 13.139 622 HA ASP 79 HA ASP 79 9.086 15.078 15.724 623 HB2 ASP 79 2HB ASP 79 7.645 17.022 15.221 624 HB3 ASP 79 3HB ASP 79 6.310 15.939 14.820 625 H GLU 80 H GLU 80 8.789 13.359 17.009 626 HA GLU 80 HA GLU 80 6.631 11.401 16.660 627 HB2 GLU 80 2HB GLU 80 8.129 9.490 16.412 628 HB3 GLU 80 3HB GLU 80 8.295 10.600 15.056 629 HG2 GLU 80 2HG GLU 80 10.398 11.499 16.024 630 HG3 GLU 80 3HG GLU 80 10.199 10.464 17.437 631 H SER 81 H SER 81 6.879 9.599 18.335 632 HA SER 81 HA SER 81 8.174 10.486 20.885 633 HB2 SER 81 2HB SER 81 5.435 9.208 20.532 634 HB3 SER 81 3HB SER 81 6.231 9.482 22.083 635 HG SER 81 HG SER 81 6.100 11.695 21.751 636 H SER 82 H SER 82 8.297 8.559 22.452 637 HA SER 82 HA SER 82 8.260 5.876 21.303 638 HB2 SER 82 2HB SER 82 10.585 5.328 22.005 639 HB3 SER 82 3HB SER 82 10.487 6.429 20.630 640 HG SER 82 HG SER 82 10.951 7.206 23.342 641 H GLN 83 H GLN 83 7.621 4.424 22.807 642 HA GLN 83 HA GLN 83 8.321 4.693 25.630 643 HB2 GLN 83 2HB GLN 83 6.227 6.127 25.228 644 HB3 GLN 83 3HB GLN 83 5.364 4.629 24.904 645 HG2 GLN 83 2HG GLN 83 5.699 3.877 27.195 646 HG3 GLN 83 3HG GLN 83 6.878 5.162 27.491 647 HE21 GLN 83 1HE2 GLN 83 6.018 6.836 28.725 648 HE22 GLN 83 2HE2 GLN 83 4.321 7.298 28.666 649 H THR 84 H THR 84 7.331 2.776 26.899 650 HA THR 84 HA THR 84 7.873 0.234 25.659 651 HB THR 84 HB THR 84 6.955 -0.712 27.740 652 HG1 THR 84 1HG THR 84 6.200 0.705 29.334 653 HG21 THR 84 3HG2 THR 84 8.548 0.184 29.305 654 HG22 THR 84 1HG2 THR 84 8.685 1.708 28.402 655 HG23 THR 84 2HG2 THR 84 9.299 0.194 27.701 656 H SER 85 H SER 85 6.282 -1.581 25.645 657 HA SER 85 HA SER 85 3.460 -0.909 25.194 658 HB2 SER 85 2HB SER 85 5.357 -1.086 22.997 659 HB3 SER 85 3HB SER 85 4.203 -2.416 22.887 660 HG SER 85 HG SER 85 2.818 -1.081 22.269 661 H LEU 86 H LEU 86 2.263 -2.930 24.368 662 HA LEU 86 HA LEU 86 3.262 -5.434 25.587 663 HB2 LEU 86 2HB LEU 86 1.234 -5.730 26.927 664 HB3 LEU 86 3HB LEU 86 2.198 -4.357 27.412 665 HG LEU 86 HG LEU 86 0.564 -2.820 26.254 666 HD11 LEU 86 1HD1 LEU 86 -0.574 -4.301 24.681 667 HD12 LEU 86 2HD1 LEU 86 -1.739 -3.733 25.867 668 HD13 LEU 86 3HD1 LEU 86 -1.086 -5.380 26.006 669 HD21 LEU 86 3HD2 LEU 86 0.514 -3.263 28.678 670 HD22 LEU 86 1HD2 LEU 86 -0.551 -4.662 28.409 671 HD23 LEU 86 2HD2 LEU 86 -1.116 -3.016 28.037 672 H GLN 87 H GLN 87 1.302 -7.128 25.343 673 HA GLN 87 HA GLN 87 -0.036 -6.875 22.742 674 HB2 GLN 87 2HB GLN 87 0.791 -9.045 21.912 675 HB3 GLN 87 3HB GLN 87 2.020 -7.808 21.959 676 HG2 GLN 87 2HG GLN 87 1.726 -9.902 24.156 677 HG3 GLN 87 3HG GLN 87 2.657 -10.192 22.696 678 HE21 GLN 87 1HE2 GLN 87 3.631 -10.093 25.534 679 HE22 GLN 87 2HE2 GLN 87 4.881 -8.852 25.481 680 H LYS 88 H LYS 88 -1.383 -8.808 22.292 681 HA LYS 88 HA LYS 88 -2.783 -9.787 24.751 682 HB2 LYS 88 2HB LYS 88 -4.904 -9.444 23.614 683 HB3 LYS 88 3HB LYS 88 -3.988 -7.956 23.693 684 HG2 LYS 88 2HG LYS 88 -4.671 -7.763 21.538 685 HG3 LYS 88 3HG LYS 88 -3.195 -8.648 21.234 686 HD2 LYS 88 2HD LYS 88 -4.800 -9.726 19.889 687 HD3 LYS 88 3HD LYS 88 -4.623 -10.795 21.266 688 HE2 LYS 88 2HE LYS 88 -6.940 -10.696 20.944 689 HE3 LYS 88 3HE LYS 88 -6.668 -9.598 22.295 690 HZ1 LYS 88 3HZ LYS 88 -8.139 -8.617 20.625 691 HZ2 LYS 88 1HZ LYS 88 -7.020 -8.782 19.452 692 HZ3 LYS 88 2HZ LYS 88 -6.763 -7.741 20.688 693 H GLU 89 H GLU 89 -4.264 -11.616 24.261 694 HA GLU 89 HA GLU 89 -3.101 -13.569 22.316 695 HB2 GLU 89 2HB GLU 89 -3.395 -15.357 23.857 696 HB3 GLU 89 3HB GLU 89 -2.440 -14.101 24.639 697 HG2 GLU 89 2HG GLU 89 -4.601 -13.305 25.763 698 HG3 GLU 89 3HG GLU 89 -5.382 -14.748 25.112 699 H ILE 90 H ILE 90 -4.628 -15.337 21.766 700 HA ILE 90 HA ILE 90 -7.488 -14.516 21.644 701 HB ILE 90 HB ILE 90 -5.835 -15.416 19.246 702 HG12 ILE 90 2HG1 ILE 90 -6.983 -12.662 19.870 703 HG13 ILE 90 3HG1 ILE 90 -5.272 -13.096 19.836 704 HG21 ILE 90 1HG2 ILE 90 -8.196 -16.197 19.143 705 HG22 ILE 90 2HG2 ILE 90 -8.758 -14.534 19.429 706 HG23 ILE 90 3HG2 ILE 90 -7.901 -14.975 17.937 707 HD11 ILE 90 3HD1 ILE 90 -5.502 -13.657 17.394 708 HD12 ILE 90 1HD1 ILE 90 -7.127 -12.922 17.451 709 HD13 ILE 90 2HD1 ILE 90 -5.702 -11.947 17.823 710 H SER 91 H SER 91 -8.908 -16.271 21.573 711 HA SER 91 HA SER 91 -8.036 -18.808 22.638 712 HB2 SER 91 2HB SER 91 -10.504 -19.310 22.493 713 HB3 SER 91 3HB SER 91 -10.070 -17.870 23.419 714 HG SER 91 HG SER 91 -11.832 -17.497 21.974 715 H THR 92 H THR 92 -6.734 -18.494 20.167 716 HA THR 92 HA THR 92 -7.972 -19.770 17.925 717 HB THR 92 HB THR 92 -5.605 -20.254 17.197 718 HG1 THR 92 1HG THR 92 -3.972 -19.335 18.438 719 HG21 THR 92 3HG2 THR 92 -5.004 -17.901 16.836 720 HG22 THR 92 1HG2 THR 92 -6.173 -17.393 18.073 721 HG23 THR 92 2HG2 THR 92 -6.738 -18.152 16.571 722 H GLU 93 H GLU 93 -6.605 -21.163 20.826 723 HA GLU 93 HA GLU 93 -6.271 -23.860 20.062 724 HB2 GLU 93 2HB GLU 93 -6.541 -24.415 22.366 725 HB3 GLU 93 3HB GLU 93 -5.657 -22.894 22.245 726 HG2 GLU 93 2HG GLU 93 -7.853 -21.680 22.700 727 HG3 GLU 93 3HG GLU 93 -8.590 -23.253 23.008 728 H GLU 94 H GLU 94 -9.304 -22.096 20.451 729 HA GLU 94 HA GLU 94 -11.013 -24.468 20.411 730 HB2 GLU 94 2HB GLU 94 -11.520 -22.130 21.406 731 HB3 GLU 94 3HB GLU 94 -11.758 -21.596 19.750 732 HG2 GLU 94 2HG GLU 94 -13.894 -22.090 20.731 733 HG3 GLU 94 3HG GLU 94 -13.573 -23.262 19.462 734 H GLN 95 H GLN 95 -9.568 -22.346 17.991 735 HA GLN 95 HA GLN 95 -11.257 -23.108 15.756 736 HB2 GLN 95 2HB GLN 95 -8.438 -21.957 15.728 737 HB3 GLN 95 3HB GLN 95 -9.531 -22.037 14.363 738 HG2 GLN 95 2HG GLN 95 -10.155 -20.422 16.880 739 HG3 GLN 95 3HG GLN 95 -9.304 -19.784 15.486 740 HE21 GLN 95 1HE2 GLN 95 -10.547 -18.902 13.810 741 HE22 GLN 95 2HE2 GLN 95 -12.283 -19.166 13.689 742 H LEU 96 H LEU 96 -8.437 -24.580 17.261 743 HA LEU 96 HA LEU 96 -7.616 -26.258 15.098 744 HB2 LEU 96 2HB LEU 96 -7.363 -26.473 18.111 745 HB3 LEU 96 3HB LEU 96 -6.878 -27.807 17.096 746 HG LEU 96 HG LEU 96 -4.983 -26.474 17.765 747 HD11 LEU 96 1HD1 LEU 96 -5.444 -26.225 14.769 748 HD12 LEU 96 2HD1 LEU 96 -4.871 -27.677 15.631 749 HD13 LEU 96 3HD1 LEU 96 -3.887 -26.209 15.616 750 HD21 LEU 96 3HD2 LEU 96 -6.001 -24.258 17.884 751 HD22 LEU 96 1HD2 LEU 96 -6.111 -24.188 16.110 752 HD23 LEU 96 2HD2 LEU 96 -4.528 -24.251 16.912 753 H ARG 97 H ARG 97 -10.447 -26.587 17.163 754 HA ARG 97 HA ARG 97 -11.035 -29.364 16.576 755 HB2 ARG 97 2HB ARG 97 -12.835 -27.008 17.288 756 HB3 ARG 97 3HB ARG 97 -13.455 -28.616 16.933 757 HG2 ARG 97 2HG ARG 97 -11.901 -29.531 18.750 758 HG3 ARG 97 3HG ARG 97 -11.573 -27.852 19.200 759 HD2 ARG 97 2HD ARG 97 -13.309 -28.755 20.641 760 HD3 ARG 97 3HD ARG 97 -14.007 -27.504 19.596 761 HE ARG 97 HE ARG 97 -14.254 -30.192 18.480 762 HH11 ARG 97 1HH1 ARG 97 -15.833 -28.078 20.763 763 HH12 ARG 97 2HH1 ARG 97 -17.394 -28.817 20.513 764 HH21 ARG 97 1HH2 ARG 97 -16.255 -31.052 18.145 765 HH22 ARG 97 2HH2 ARG 97 -17.616 -30.467 19.054 766 H ARG 98 H ARG 98 -11.344 -26.527 14.582 767 HA ARG 98 HA ARG 98 -13.179 -27.535 12.611 768 HB2 ARG 98 2HB ARG 98 -12.269 -25.143 13.138 769 HB3 ARG 98 3HB ARG 98 -10.958 -25.541 12.042 770 HG2 ARG 98 2HG ARG 98 -13.937 -25.561 11.329 771 HG3 ARG 98 3HG ARG 98 -12.857 -24.181 11.138 772 HD2 ARG 98 2HD ARG 98 -11.400 -25.749 9.678 773 HD3 ARG 98 3HD ARG 98 -12.855 -26.770 9.590 774 HE ARG 98 HE ARG 98 -13.803 -24.278 8.922 775 HH11 ARG 98 1HH1 ARG 98 -11.271 -26.271 7.578 776 HH12 ARG 98 2HH1 ARG 98 -11.402 -25.550 5.996 777 HH21 ARG 98 1HH2 ARG 98 -13.946 -23.401 6.888 778 HH22 ARG 98 2HH2 ARG 98 -12.897 -23.971 5.624 779 H LEU 99 H LEU 99 -9.859 -28.372 13.195 780 HA LEU 99 HA LEU 99 -9.174 -29.462 10.611 781 HB2 LEU 99 2HB LEU 99 -8.292 -30.246 13.420 782 HB3 LEU 99 3HB LEU 99 -7.559 -30.856 11.950 783 HG LEU 99 HG LEU 99 -7.566 -27.905 12.725 784 HD11 LEU 99 1HD1 LEU 99 -5.176 -28.308 13.256 785 HD12 LEU 99 2HD1 LEU 99 -5.407 -30.047 12.971 786 HD13 LEU 99 3HD1 LEU 99 -6.258 -29.241 14.307 787 HD21 LEU 99 3HD2 LEU 99 -7.319 -28.242 10.292 788 HD22 LEU 99 1HD2 LEU 99 -6.038 -29.443 10.574 789 HD23 LEU 99 2HD2 LEU 99 -5.785 -27.738 11.005 790 H GLN 100 H GLN 100 -11.261 -30.706 13.171 791 HA GLN 100 HA GLN 100 -11.242 -33.469 12.185 792 HB2 GLN 100 2HB GLN 100 -12.991 -32.063 14.242 793 HB3 GLN 100 3HB GLN 100 -13.104 -33.770 13.804 794 HG2 GLN 100 2HG GLN 100 -10.712 -34.085 14.482 795 HG3 GLN 100 3HG GLN 100 -10.666 -32.403 15.026 796 HE21 GLN 100 1HE2 GLN 100 -12.179 -35.613 15.649 797 HE22 GLN 100 2HE2 GLN 100 -12.656 -35.199 17.292 798 H GLU 101 H GLU 101 -11.935 -33.625 10.132 799 HA GLU 101 HA GLU 101 -14.807 -33.133 9.610 800 HB2 GLU 101 2HB GLU 101 -14.444 -32.097 7.491 801 HB3 GLU 101 3HB GLU 101 -13.570 -31.169 8.707 802 HG2 GLU 101 2HG GLU 101 -11.452 -32.382 8.016 803 HG3 GLU 101 3HG GLU 101 -12.367 -33.142 6.712 804 H GLU 102 H GLU 102 -15.563 -34.258 7.640 805 HA GLU 102 HA GLU 102 -13.982 -36.568 6.684 806 HB2 GLU 102 2HB GLU 102 -16.758 -36.797 7.930 807 HB3 GLU 102 3HB GLU 102 -16.019 -38.037 6.915 808 HG2 GLU 102 2HG GLU 102 -14.087 -38.143 8.530 809 HG3 GLU 102 3HG GLU 102 -15.006 -37.093 9.616 810 H LYS 103 H LYS 103 -15.266 -37.679 4.888 811 HA LYS 103 HA LYS 103 -16.766 -35.737 3.177 812 HB2 LYS 103 2HB LYS 103 -15.528 -36.331 1.256 813 HB3 LYS 103 3HB LYS 103 -14.336 -35.977 2.504 814 HG2 LYS 103 2HG LYS 103 -14.087 -38.451 2.917 815 HG3 LYS 103 3HG LYS 103 -15.256 -38.750 1.622 816 HD2 LYS 103 2HD LYS 103 -13.625 -37.335 0.136 817 HD3 LYS 103 3HD LYS 103 -12.437 -37.677 1.399 818 HE2 LYS 103 2HE LYS 103 -14.033 -39.695 -0.254 819 HE3 LYS 103 3HE LYS 103 -12.324 -39.306 -0.459 820 HZ1 LYS 103 3HZ LYS 103 -13.508 -40.611 1.934 821 HZ2 LYS 103 1HZ LYS 103 -11.924 -40.223 1.776 822 HZ3 LYS 103 2HZ LYS 103 -12.598 -41.345 0.802 823 H LEU 104 H LEU 104 -17.769 -36.898 1.294 824 HA LEU 104 HA LEU 104 -19.682 -38.906 2.136 825 HB2 LEU 104 2HB LEU 104 -19.007 -37.507 -0.474 826 HB3 LEU 104 3HB LEU 104 -20.061 -38.907 -0.471 827 HG LEU 104 HG LEU 104 -21.673 -37.835 0.984 828 HD11 LEU 104 1HD1 LEU 104 -20.300 -36.353 2.352 829 HD12 LEU 104 2HD1 LEU 104 -21.515 -35.404 1.497 830 HD13 LEU 104 3HD1 LEU 104 -19.834 -35.404 0.917 831 HD21 LEU 104 3HD2 LEU 104 -22.451 -36.131 -0.603 832 HD22 LEU 104 1HD2 LEU 104 -21.801 -37.532 -1.469 833 HD23 LEU 104 2HD2 LEU 104 -20.833 -36.047 -1.337
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