REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lh3_1_G DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRXX XXXXXXXLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIGLNPTGR DATA SEQUENCE QNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDKXXXX ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 37 F C 0.000 175.798 175.800 -0.004 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 38 D N 2.087 122.577 120.400 0.151 0.000 2.421 38 D HA 0.262 4.874 4.640 -0.046 0.000 0.254 38 D C 0.376 176.775 176.300 0.165 0.000 1.238 38 D CA 0.115 54.150 54.000 0.059 0.000 0.919 38 D CB 0.819 41.621 40.800 0.004 0.000 1.152 38 D HN 0.203 8.708 8.370 0.224 0.000 0.552 39 S N 3.893 119.736 115.700 0.238 0.000 2.650 39 S HA 0.056 4.623 4.470 0.162 0.000 0.219 39 S C 1.531 176.185 174.600 0.091 0.000 0.960 39 S CA 0.558 58.870 58.200 0.185 0.000 0.925 39 S CB 0.000 63.337 63.200 0.228 0.000 0.775 39 S HN 0.382 8.843 8.310 0.253 0.000 0.525 40 T N 3.572 118.164 114.554 0.064 0.000 2.759 40 T HA -0.281 4.089 4.350 0.033 0.000 0.269 40 T C 0.756 175.472 174.700 0.027 0.000 1.042 40 T CA 3.085 65.206 62.100 0.035 0.000 1.140 40 T CB -0.279 68.600 68.868 0.019 0.000 0.864 40 T HN -0.163 8.034 8.240 0.062 0.080 0.455 41 D N -1.475 118.942 120.400 0.030 0.000 2.339 41 D HA 0.199 4.848 4.640 0.014 0.000 0.217 41 D C -0.346 175.963 176.300 0.016 0.000 1.050 41 D CA 0.128 54.140 54.000 0.019 0.000 0.856 41 D CB 0.675 41.486 40.800 0.018 0.000 0.922 41 D HN 0.050 8.424 8.370 0.038 0.018 0.518 42 E N -0.010 120.204 120.200 0.022 0.000 2.349 42 E HA 0.148 4.501 4.350 0.005 0.000 0.262 42 E C -0.780 175.820 176.600 0.001 0.000 1.088 42 E CA 0.063 56.470 56.400 0.010 0.000 0.899 42 E CB 0.930 30.637 29.700 0.013 0.000 1.044 42 E HN -0.660 7.551 8.360 0.033 0.168 0.420 43 T N 3.904 118.451 114.554 -0.012 0.000 2.791 43 T HA 0.277 4.618 4.350 -0.015 0.000 0.288 43 T C -1.863 172.816 174.700 -0.034 0.000 0.999 43 T CA -2.207 59.881 62.100 -0.020 0.000 0.952 43 T CB 0.177 69.031 68.868 -0.024 0.000 0.938 43 T HN 0.059 8.290 8.240 -0.015 0.000 0.444 44 P HA 0.020 4.412 4.420 -0.047 0.000 0.264 44 P C -0.438 176.812 177.300 -0.083 0.000 1.193 44 P CA -0.426 62.644 63.100 -0.050 0.000 0.763 44 P CB 0.278 31.955 31.700 -0.038 0.000 0.810 45 A N 2.888 125.645 122.820 -0.105 0.000 2.546 45 A HA -0.049 4.165 4.320 -0.176 0.000 0.243 45 A C -0.396 177.041 177.584 -0.244 0.000 1.063 45 A CA 0.535 52.467 52.037 -0.175 0.000 0.757 45 A CB 0.221 19.121 19.000 -0.166 0.000 0.991 45 A HN 0.019 8.115 8.150 -0.090 0.000 0.503 46 S N 2.145 117.627 115.700 -0.363 0.000 2.543 46 S HA 0.079 4.347 4.470 -0.337 0.000 0.274 46 S C -1.036 173.279 174.600 -0.474 0.000 1.149 46 S CA -0.153 57.838 58.200 -0.349 0.000 0.866 46 S CB 0.835 63.947 63.200 -0.146 0.000 1.111 46 S HN -0.157 7.921 8.310 -0.388 0.000 0.457 47 Y N 2.650 122.949 120.300 -0.002 0.000 2.708 47 Y HA 0.190 4.738 4.550 -0.003 0.000 0.287 47 Y C 0.106 176.004 175.900 -0.003 0.000 1.145 47 Y CA -0.824 57.274 58.100 -0.003 0.000 1.249 47 Y CB -0.398 38.060 38.460 -0.004 0.000 1.152 47 Y HN 0.233 8.455 8.280 -0.097 0.000 0.532 48 N N 1.658 120.399 118.700 0.068 0.000 2.223 48 N HA -0.356 4.420 4.740 0.059 0.000 0.185 48 N C 1.104 176.642 175.510 0.046 0.000 1.016 48 N CA 3.280 56.360 53.050 0.049 0.000 0.863 48 N CB 0.308 38.805 38.487 0.017 0.000 0.983 48 N HN -0.484 7.832 8.380 0.012 0.071 0.429 49 L N -0.796 120.454 121.223 0.045 0.000 2.042 49 L HA -0.259 4.097 4.340 0.026 0.000 0.210 49 L C 0.963 177.858 176.870 0.041 0.000 1.076 49 L CA 2.897 57.759 54.840 0.036 0.000 0.749 49 L CB -0.384 41.695 42.059 0.033 0.000 0.893 49 L HN -0.129 8.111 8.230 0.042 0.015 0.432 50 A N -2.177 120.681 122.820 0.063 0.000 1.930 50 A HA -0.361 3.974 4.320 0.026 0.000 0.217 50 A C 2.064 179.666 177.584 0.030 0.000 1.175 50 A CA 2.872 54.935 52.037 0.043 0.000 0.627 50 A CB -0.807 18.224 19.000 0.051 0.000 0.815 50 A HN -0.666 7.540 8.150 0.094 0.000 0.443 51 V N -1.178 118.763 119.914 0.044 0.000 2.295 51 V HA -0.618 3.517 4.120 0.025 0.000 0.246 51 V C 2.374 178.482 176.094 0.023 0.000 1.049 51 V CA 4.349 66.668 62.300 0.032 0.000 1.024 51 V CB -0.344 31.504 31.823 0.041 0.000 0.648 51 V HN -0.675 7.468 8.190 0.063 0.085 0.447 52 R N -1.132 119.382 120.500 0.023 0.000 2.096 52 R HA -0.295 4.056 4.340 0.018 0.000 0.235 52 R C 2.157 178.464 176.300 0.013 0.000 1.127 52 R CA 3.368 59.479 56.100 0.018 0.000 0.968 52 R CB -0.306 30.003 30.300 0.016 0.000 0.861 52 R HN -0.014 8.272 8.270 0.028 0.000 0.440 53 R N -3.537 116.970 120.500 0.011 0.000 2.075 53 R HA -0.119 4.223 4.340 0.004 0.000 0.226 53 R C 0.850 177.149 176.300 -0.001 0.000 1.114 53 R CA 2.659 58.761 56.100 0.003 0.000 0.972 53 R CB 0.354 30.654 30.300 -0.001 0.000 0.869 53 R HN -0.595 7.665 8.270 0.013 0.018 0.437 54 A N -3.287 119.531 122.820 -0.002 0.000 1.963 54 A HA 0.184 4.496 4.320 -0.013 0.000 0.207 54 A C 1.376 178.958 177.584 -0.002 0.000 1.243 54 A CA 1.333 53.365 52.037 -0.009 0.000 0.728 54 A CB 0.567 19.555 19.000 -0.019 0.000 0.895 54 A HN -0.400 7.751 8.150 0.002 0.000 0.467 55 A N -0.416 122.406 122.820 0.004 0.000 1.940 55 A HA -0.086 4.237 4.320 0.004 0.000 0.219 55 A C -1.060 176.532 177.584 0.012 0.000 1.176 55 A CA 4.215 56.257 52.037 0.008 0.000 0.631 55 A CB -2.328 16.680 19.000 0.013 0.000 0.814 55 A HN -0.057 8.097 8.150 0.006 0.000 0.446 56 P HA -0.217 4.218 4.420 0.025 0.000 0.221 56 P C -0.300 177.013 177.300 0.022 0.000 1.145 56 P CA 1.737 64.850 63.100 0.021 0.000 0.795 56 P CB -0.408 31.304 31.700 0.020 0.000 0.775 57 A N -5.433 117.395 122.820 0.013 0.000 2.275 57 A HA 0.189 4.518 4.320 0.016 0.000 0.212 57 A C -1.533 176.056 177.584 0.009 0.000 1.201 57 A CA -0.650 51.393 52.037 0.011 0.000 0.843 57 A CB 0.999 20.002 19.000 0.005 0.000 0.873 57 A HN -0.625 7.493 8.150 0.009 0.038 0.492 58 V N 0.505 120.423 119.914 0.007 0.000 2.383 58 V HA 0.396 4.681 4.120 -0.003 -0.167 0.275 58 V C -0.401 175.695 176.094 0.005 0.000 1.036 58 V CA -0.166 62.134 62.300 0.000 0.000 0.889 58 V CB 0.669 32.488 31.823 -0.007 0.000 0.985 58 V HN -0.772 7.273 8.190 0.009 0.151 0.459 59 V N 0.844 120.758 119.914 -0.001 0.000 2.975 59 V HA 0.562 4.781 4.120 0.029 -0.082 0.318 59 V C -1.199 174.876 176.094 -0.032 0.000 1.077 59 V CA -3.468 58.839 62.300 0.011 0.000 1.000 59 V CB 2.753 34.596 31.823 0.033 0.000 1.066 59 V HN 0.237 8.315 8.190 -0.008 0.107 0.452 60 N N 1.994 120.677 118.700 -0.028 0.000 2.419 60 N HA 0.267 4.878 4.740 -0.215 0.000 0.264 60 N C -0.684 174.681 175.510 -0.243 0.000 1.031 60 N CA -1.279 51.669 53.050 -0.169 0.000 0.951 60 N CB 0.790 39.206 38.487 -0.118 0.000 1.101 60 N HN -0.110 8.288 8.380 0.029 0.000 0.488 61 V N 4.057 123.757 119.914 -0.358 0.000 2.427 61 V HA 0.438 4.682 4.120 -0.094 -0.180 0.286 61 V C -1.161 174.680 176.094 -0.422 0.000 1.034 61 V CA -0.738 61.415 62.300 -0.245 0.000 0.893 61 V CB 1.289 33.020 31.823 -0.152 0.000 0.982 61 V HN -0.155 7.816 8.190 -0.366 0.000 0.452 62 Y N 5.276 125.574 120.300 -0.003 0.000 2.376 62 Y HA 0.202 4.751 4.550 -0.001 0.000 0.340 62 Y C -1.397 174.505 175.900 0.003 0.000 0.965 62 Y CA -1.286 56.814 58.100 0.001 0.000 1.078 62 Y CB 3.116 41.581 38.460 0.008 0.000 1.193 62 Y HN 0.742 9.121 8.280 0.166 0.000 0.452 63 N N 4.431 123.213 118.700 0.136 0.000 2.767 63 N HA 0.287 5.071 4.740 0.073 0.000 0.238 63 N C -0.936 174.629 175.510 0.093 0.000 1.083 63 N CA -1.376 51.726 53.050 0.086 0.000 0.964 63 N CB 0.241 38.759 38.487 0.050 0.000 1.252 63 N HN 0.103 8.560 8.380 0.128 0.000 0.512 75 E N 0.723 120.928 120.200 0.008 0.000 2.312 75 E HA 0.206 4.560 4.350 0.007 0.000 0.267 75 E C -1.522 175.096 176.600 0.031 0.000 0.894 75 E CA -0.685 55.724 56.400 0.015 0.000 0.773 75 E CB 2.003 31.715 29.700 0.019 0.000 1.241 75 E HN -0.397 7.970 8.360 0.012 0.000 0.432 76 I N 1.517 122.114 120.570 0.044 0.000 2.365 76 I HA -0.036 4.184 4.170 0.083 0.000 0.291 76 I C 0.057 176.227 176.117 0.089 0.000 1.004 76 I CA 0.343 61.693 61.300 0.083 0.000 1.311 76 I CB 0.627 38.705 38.000 0.130 0.000 1.401 76 I HN 0.361 8.594 8.210 0.038 0.000 0.491 77 R N 6.109 126.662 120.500 0.089 0.000 2.087 77 R HA 0.215 4.599 4.340 0.072 0.000 0.213 77 R C 0.467 176.827 176.300 0.100 0.000 1.137 77 R CA 1.312 57.460 56.100 0.080 0.000 1.022 77 R CB 1.417 31.755 30.300 0.063 0.000 0.920 77 R HN 0.370 8.694 8.270 0.090 0.000 0.451 78 T N -2.388 112.227 114.554 0.102 0.000 2.906 78 T HA 0.338 4.781 4.350 0.154 0.000 0.295 78 T C -2.327 172.411 174.700 0.064 0.000 1.075 78 T CA -1.270 60.897 62.100 0.110 0.000 1.005 78 T CB 3.351 72.275 68.868 0.095 0.000 1.136 78 T HN -0.651 7.645 8.240 0.093 0.000 0.498 79 L N -1.987 119.237 121.223 0.001 0.000 2.303 79 L HA 1.029 5.383 4.340 -0.157 -0.108 0.256 79 L C -0.875 175.840 176.870 -0.259 0.000 1.034 79 L CA -1.707 53.042 54.840 -0.152 0.000 0.832 79 L CB 3.737 45.683 42.059 -0.188 0.000 1.403 79 L HN 0.245 8.492 8.230 0.029 0.000 0.419 80 G N -2.210 106.402 108.800 -0.313 0.000 2.588 80 G HA2 0.267 4.181 3.960 -0.308 0.000 0.281 80 G HA3 0.267 4.073 3.960 -0.257 0.000 0.281 80 G C -2.238 172.506 174.900 -0.260 0.000 1.223 80 G CA 0.545 45.474 45.100 -0.285 0.000 0.871 80 G HN -0.056 8.010 8.290 -0.373 0.000 0.492 81 S N -0.984 114.602 115.700 -0.191 0.000 2.661 81 S HA 0.947 5.469 4.470 -0.158 -0.147 0.285 81 S C -0.958 173.580 174.600 -0.103 0.000 1.138 81 S CA -1.494 56.621 58.200 -0.143 0.000 0.855 81 S CB 4.178 67.312 63.200 -0.110 0.000 1.136 81 S HN 0.069 8.272 8.310 -0.179 0.000 0.484 82 G N -1.678 107.081 108.800 -0.068 0.000 2.708 82 G HA2 0.867 5.072 3.960 -0.041 0.000 0.289 82 G HA3 0.867 4.805 3.960 -0.037 0.000 0.289 82 G C -2.962 171.926 174.900 -0.019 0.000 1.416 82 G CA -0.539 44.537 45.100 -0.040 0.000 0.829 82 G HN -0.005 8.248 8.290 -0.062 0.000 0.480 83 V N -0.084 119.827 119.914 -0.004 0.000 2.569 83 V HA 0.398 4.673 4.120 0.001 -0.154 0.301 83 V C -0.982 175.120 176.094 0.013 0.000 1.044 83 V CA -1.252 61.051 62.300 0.005 0.000 0.874 83 V CB 3.495 35.324 31.823 0.010 0.000 1.002 83 V HN 0.069 8.258 8.190 -0.001 0.000 0.424 84 I N 7.989 128.564 120.570 0.009 0.000 2.505 84 I HA -0.111 4.198 4.170 0.013 -0.131 0.287 84 I C -0.045 176.086 176.117 0.022 0.000 1.104 84 I CA 1.357 62.663 61.300 0.011 0.000 1.387 84 I CB -0.112 37.886 38.000 -0.004 0.000 1.404 84 I HN 0.691 8.905 8.210 0.007 0.000 0.528 85 M N 5.723 125.349 119.600 0.044 0.000 2.545 85 M HA 0.047 4.548 4.480 0.034 0.000 0.264 85 M C -0.043 176.285 176.300 0.046 0.000 1.155 85 M CA -0.450 54.878 55.300 0.046 0.000 1.162 85 M CB 0.350 32.984 32.600 0.058 0.000 1.330 85 M HN 0.423 8.748 8.290 0.059 0.000 0.479 86 D N -5.650 114.788 120.400 0.063 0.000 2.643 86 D HA 0.141 4.804 4.640 0.037 0.000 0.283 86 D C 0.047 176.375 176.300 0.047 0.000 1.242 86 D CA -1.110 52.924 54.000 0.057 0.000 0.863 86 D CB 0.834 41.676 40.800 0.070 0.000 1.382 86 D HN -0.871 7.546 8.370 0.078 0.000 0.444 87 Q N -2.645 117.175 119.800 0.033 0.000 2.364 87 Q HA -0.196 4.140 4.340 -0.006 0.000 0.207 87 Q C 1.157 177.156 176.000 -0.003 0.000 0.970 87 Q CA 2.228 58.036 55.803 0.009 0.000 0.888 87 Q CB -0.300 28.444 28.738 0.009 0.000 0.951 87 Q HN 0.361 8.652 8.270 0.035 0.000 0.469 88 R N -3.670 116.857 120.500 0.044 0.000 2.189 88 R HA -0.230 4.106 4.340 -0.005 0.000 0.218 88 R C 0.353 176.577 176.300 -0.127 0.000 1.074 88 R CA 1.613 57.727 56.100 0.023 0.000 0.991 88 R CB 0.700 31.117 30.300 0.196 0.000 0.883 88 R HN -0.584 7.893 8.270 0.091 -0.153 0.457 89 G N -4.417 104.311 108.800 -0.120 0.000 2.159 89 G HA2 -0.323 3.517 3.960 -0.200 0.000 0.170 89 G HA3 -0.323 3.631 3.960 -0.314 -0.183 0.170 89 G C -0.708 174.031 174.900 -0.269 0.000 1.007 89 G CA -0.589 44.367 45.100 -0.238 0.000 0.672 89 G HN -0.531 7.716 8.290 -0.027 0.027 0.507 90 Y N 1.263 121.528 120.300 -0.058 0.000 2.377 90 Y HA 0.249 4.975 4.550 -0.042 -0.201 0.330 90 Y C -0.895 174.983 175.900 -0.036 0.000 1.108 90 Y CA 1.314 59.389 58.100 -0.041 0.000 1.308 90 Y CB 0.731 39.174 38.460 -0.028 0.000 1.216 90 Y HN -1.038 7.485 8.280 0.125 -0.168 0.518 91 I N 2.227 122.856 120.570 0.098 0.000 2.533 91 I HA 0.539 4.934 4.170 0.044 -0.198 0.290 91 I C -0.964 175.183 176.117 0.050 0.000 1.056 91 I CA -1.564 59.763 61.300 0.045 0.000 1.057 91 I CB 3.987 41.986 38.000 -0.001 0.000 1.240 91 I HN 0.264 8.535 8.210 0.102 0.000 0.423 92 I N 7.098 127.690 120.570 0.038 0.000 2.396 92 I HA 0.561 4.904 4.170 0.033 -0.154 0.292 92 I C -0.661 175.459 176.117 0.004 0.000 0.999 92 I CA -0.508 60.809 61.300 0.028 0.000 1.310 92 I CB 1.517 39.537 38.000 0.035 0.000 1.404 92 I HN 0.291 8.523 8.210 0.036 0.000 0.496 93 T N 5.204 119.752 114.554 -0.009 0.000 2.681 93 T HA 0.424 4.747 4.350 -0.046 0.000 0.296 93 T C -1.902 172.763 174.700 -0.057 0.000 1.157 93 T CA -2.807 59.266 62.100 -0.045 0.000 1.025 93 T CB 1.640 70.468 68.868 -0.066 0.000 1.441 93 T HN 0.507 8.745 8.240 -0.003 0.000 0.504 94 N N 0.652 119.271 118.700 -0.134 0.000 2.456 94 N HA 0.408 5.272 4.740 -0.054 -0.156 0.288 94 N C 0.866 176.249 175.510 -0.212 0.000 1.059 94 N CA -0.318 52.629 53.050 -0.172 0.000 0.946 94 N CB 1.638 39.936 38.487 -0.315 0.000 1.150 94 N HN 0.404 8.676 8.380 -0.179 0.000 0.479 95 K N 6.255 126.616 120.400 -0.064 0.000 2.089 95 K HA -0.489 3.816 4.320 -0.026 0.000 0.210 95 K C 1.106 177.688 176.600 -0.030 0.000 1.048 95 K CA 3.400 59.676 56.287 -0.018 0.000 0.926 95 K CB -0.001 32.529 32.500 0.049 0.000 0.714 95 K HN 0.188 8.391 8.250 0.002 0.048 0.448 96 H N -5.098 113.978 119.070 0.011 0.000 2.524 96 H HA -0.116 4.448 4.556 0.014 0.000 0.282 96 H C 1.044 176.376 175.328 0.007 0.000 1.016 96 H CA 2.099 58.154 56.048 0.012 0.000 1.270 96 H CB -0.395 29.376 29.762 0.016 0.000 1.394 96 H HN -0.653 7.831 8.280 0.068 -0.163 0.568 97 V N -1.282 118.355 119.914 -0.461 0.000 2.323 97 V HA -0.248 3.746 4.120 -0.210 0.000 0.244 97 V C 0.781 176.806 176.094 -0.115 0.000 1.041 97 V CA 2.191 64.321 62.300 -0.284 0.000 1.025 97 V CB 0.552 32.173 31.823 -0.336 0.000 0.656 97 V HN -0.481 7.167 8.190 -0.648 0.154 0.451 98 I N -9.085 111.428 120.570 -0.095 0.000 3.875 98 I HA 0.097 4.248 4.170 -0.030 0.000 0.329 98 I C -0.634 175.478 176.117 -0.009 0.000 1.295 98 I CA -1.844 59.432 61.300 -0.040 0.000 1.129 98 I CB -0.357 37.622 38.000 -0.036 0.000 1.008 98 I HN -0.944 7.196 8.210 -0.118 0.000 0.413 99 N N 1.995 120.695 118.700 0.001 0.000 2.483 99 N HA -0.153 4.598 4.740 0.018 0.000 0.264 99 N C -0.239 175.286 175.510 0.026 0.000 1.197 99 N CA 1.709 54.772 53.050 0.022 0.000 0.927 99 N CB 0.760 39.272 38.487 0.041 0.000 1.065 99 N HN -0.704 7.615 8.380 -0.004 0.058 0.461 100 D N -0.633 119.781 120.400 0.023 0.000 2.981 100 D HA -0.342 4.311 4.640 0.022 0.000 0.223 100 D C -1.534 174.781 176.300 0.025 0.000 1.151 100 D CA 0.988 55.002 54.000 0.024 0.000 0.827 100 D CB -0.667 40.150 40.800 0.028 0.000 1.101 100 D HN 0.282 8.665 8.370 0.021 0.000 0.426 101 A N -3.250 119.583 122.820 0.023 0.000 2.331 101 A HA 0.076 4.581 4.320 0.030 -0.167 0.283 101 A C -0.305 177.293 177.584 0.024 0.000 1.142 101 A CA -0.436 51.617 52.037 0.025 0.000 0.812 101 A CB 0.768 19.782 19.000 0.024 0.000 1.074 101 A HN -0.683 7.460 8.150 0.020 0.019 0.497 102 D N 2.645 123.061 120.400 0.026 0.000 2.162 102 D HA -0.026 4.625 4.640 0.020 0.000 0.205 102 D C 0.219 176.533 176.300 0.023 0.000 0.964 102 D CA 2.364 56.378 54.000 0.022 0.000 0.847 102 D CB 0.952 41.765 40.800 0.021 0.000 0.988 102 D HN 0.342 8.729 8.370 0.029 0.000 0.480 103 Q N -1.193 118.625 119.800 0.029 0.000 2.305 103 Q HA 0.227 4.584 4.340 0.029 0.000 0.271 103 Q C -2.287 173.740 176.000 0.045 0.000 1.046 103 Q CA -0.318 55.504 55.803 0.032 0.000 0.798 103 Q CB 3.068 31.823 28.738 0.028 0.000 1.286 103 Q HN -0.657 7.632 8.270 0.033 0.000 0.435 104 I N 6.531 127.128 120.570 0.045 0.000 2.321 104 I HA 0.460 4.832 4.170 0.064 -0.163 0.291 104 I C -1.197 174.967 176.117 0.078 0.000 0.998 104 I CA -0.787 60.546 61.300 0.056 0.000 1.227 104 I CB 1.037 39.058 38.000 0.035 0.000 1.368 104 I HN 0.574 8.807 8.210 0.038 0.000 0.466 105 I N 7.279 127.921 120.570 0.120 0.000 2.525 105 I HA 0.605 4.984 4.170 0.122 -0.135 0.301 105 I C -1.044 175.190 176.117 0.195 0.000 0.992 105 I CA -2.758 58.634 61.300 0.152 0.000 1.162 105 I CB 1.884 39.976 38.000 0.153 0.000 1.332 105 I HN 0.765 9.061 8.210 0.143 0.000 0.458 106 V N 5.382 125.411 119.914 0.191 0.000 2.483 106 V HA 0.441 4.824 4.120 0.162 -0.166 0.297 106 V C -2.340 173.888 176.094 0.224 0.000 1.027 106 V CA -1.706 60.706 62.300 0.188 0.000 0.855 106 V CB 3.686 35.599 31.823 0.150 0.000 0.995 106 V HN 0.679 8.981 8.190 0.188 0.000 0.424 107 A N 7.476 130.426 122.820 0.217 0.000 2.304 107 A HA 0.798 5.356 4.320 0.146 -0.151 0.314 107 A C -1.731 175.940 177.584 0.145 0.000 1.187 107 A CA -2.228 49.919 52.037 0.184 0.000 0.810 107 A CB 2.656 21.802 19.000 0.244 0.000 1.183 107 A HN 0.716 8.990 8.150 0.207 0.000 0.487 108 L N 2.841 124.147 121.223 0.137 0.000 2.421 108 L HA 0.144 4.546 4.340 0.102 0.000 0.263 108 L C 1.763 178.679 176.870 0.077 0.000 1.122 108 L CA -0.606 54.302 54.840 0.114 0.000 0.804 108 L CB 1.281 43.430 42.059 0.150 0.000 1.150 108 L HN 0.311 8.625 8.230 0.139 0.000 0.457 109 Q N 2.198 122.035 119.800 0.061 0.000 2.364 109 Q HA -0.279 4.090 4.340 0.048 0.000 0.207 109 Q C 0.403 176.428 176.000 0.040 0.000 0.970 109 Q CA 2.487 58.318 55.803 0.047 0.000 0.888 109 Q CB -0.615 28.145 28.738 0.038 0.000 0.951 109 Q HN 0.876 9.182 8.270 0.059 0.000 0.469 110 D N -4.874 115.553 120.400 0.046 0.000 2.319 110 D HA -0.051 4.607 4.640 0.029 0.000 0.230 110 D C 0.738 177.053 176.300 0.023 0.000 1.094 110 D CA -0.681 53.341 54.000 0.036 0.000 0.856 110 D CB -1.181 39.646 40.800 0.044 0.000 0.915 110 D HN -0.572 7.795 8.370 0.057 0.037 0.517 111 G N -0.098 108.714 108.800 0.020 0.000 2.217 111 G HA2 -0.482 3.477 3.960 -0.003 0.000 0.246 111 G HA3 -0.482 3.472 3.960 -0.011 0.000 0.246 111 G C -0.348 174.527 174.900 -0.043 0.000 0.990 111 G CA -0.067 45.029 45.100 -0.006 0.000 0.627 111 G HN -0.437 7.799 8.290 0.031 0.072 0.522 112 R N 0.940 121.415 120.500 -0.041 0.000 2.543 112 R HA 0.003 4.204 4.340 -0.231 0.000 0.277 112 R C -1.273 174.888 176.300 -0.230 0.000 1.074 112 R CA 0.504 56.500 56.100 -0.173 0.000 1.076 112 R CB 1.156 31.399 30.300 -0.095 0.000 0.993 112 R HN -0.298 8.214 8.270 0.006 -0.238 0.459 113 V N 2.369 122.005 119.914 -0.463 0.000 2.531 113 V HA 0.708 4.918 4.120 -0.129 -0.168 0.301 113 V C -0.443 175.322 176.094 -0.548 0.000 1.034 113 V CA -1.360 60.750 62.300 -0.317 0.000 0.865 113 V CB 2.296 34.016 31.823 -0.172 0.000 0.995 113 V HN 0.061 7.911 8.190 -0.566 0.000 0.424 114 F N 5.374 125.332 119.950 0.013 0.000 2.577 114 F HA 0.397 4.922 4.527 -0.003 0.000 0.318 114 F C -1.285 174.520 175.800 0.008 0.000 1.065 114 F CA -1.752 56.250 58.000 0.003 0.000 0.929 114 F CB 4.040 43.037 39.000 -0.006 0.000 1.237 114 F HN 0.495 8.897 8.300 0.169 0.000 0.468 115 E N 1.531 121.848 120.200 0.195 0.000 2.283 115 E HA 0.362 4.908 4.350 0.102 -0.135 0.278 115 E C -1.447 175.213 176.600 0.101 0.000 1.027 115 E CA -0.356 56.113 56.400 0.115 0.000 0.843 115 E CB 1.800 31.542 29.700 0.070 0.000 1.062 115 E HN 0.294 8.771 8.360 0.194 0.000 0.401 116 A N 5.449 128.308 122.820 0.065 0.000 2.337 116 A HA 0.639 5.101 4.320 0.000 -0.142 0.329 116 A C -1.783 175.805 177.584 0.007 0.000 1.146 116 A CA -1.676 50.374 52.037 0.021 0.000 0.800 116 A CB 2.757 21.768 19.000 0.018 0.000 1.220 116 A HN 0.428 8.618 8.150 0.066 0.000 0.472 117 L N -0.115 121.098 121.223 -0.017 0.000 2.325 117 L HA 0.397 4.737 4.340 0.000 0.000 0.278 117 L C -0.497 176.368 176.870 -0.008 0.000 1.023 117 L CA -1.494 53.340 54.840 -0.011 0.000 0.811 117 L CB 2.091 44.139 42.059 -0.019 0.000 1.249 117 L HN -0.008 8.198 8.230 -0.040 0.000 0.431 118 L N 3.297 124.522 121.223 0.004 0.000 2.342 118 L HA -0.013 4.334 4.340 0.011 0.000 0.285 118 L C 0.091 176.974 176.870 0.022 0.000 1.095 118 L CA 0.565 55.412 54.840 0.012 0.000 0.843 118 L CB -1.149 40.917 42.059 0.012 0.000 1.201 118 L HN 0.344 8.578 8.230 0.006 0.000 0.445 119 V N 6.134 126.071 119.914 0.039 0.000 2.667 119 V HA -0.198 3.959 4.120 0.062 0.000 0.252 119 V C -0.128 175.997 176.094 0.052 0.000 1.065 119 V CA 1.472 63.813 62.300 0.068 0.000 1.083 119 V CB 0.465 32.376 31.823 0.146 0.000 0.692 119 V HN 0.362 8.577 8.190 0.041 0.000 0.468 120 G N -3.915 104.908 108.800 0.038 0.000 2.350 120 G HA2 0.004 3.977 3.960 0.021 0.000 0.304 120 G HA3 0.004 3.979 3.960 0.025 0.000 0.304 120 G C -3.371 171.541 174.900 0.020 0.000 1.421 120 G CA -0.571 44.545 45.100 0.025 0.000 0.934 120 G HN -0.870 7.422 8.290 0.037 0.020 0.632 121 S N -1.940 113.768 115.700 0.014 0.000 2.740 121 S HA 0.732 5.328 4.470 0.013 -0.118 0.300 121 S C -1.911 172.695 174.600 0.009 0.000 1.147 121 S CA -1.544 56.664 58.200 0.012 0.000 0.871 121 S CB 3.201 66.409 63.200 0.013 0.000 1.173 121 S HN 0.103 8.421 8.310 0.013 0.000 0.510 122 D N -0.352 120.054 120.400 0.010 0.000 2.575 122 D HA 0.371 5.011 4.640 0.001 0.000 0.250 122 D C 0.599 176.905 176.300 0.010 0.000 1.279 122 D CA -0.744 53.258 54.000 0.004 0.000 0.925 122 D CB 2.830 43.628 40.800 -0.004 0.000 1.261 122 D HN -0.130 8.249 8.370 0.015 0.000 0.567 123 S N 5.844 121.548 115.700 0.007 0.000 2.423 123 S HA -0.264 4.220 4.470 0.023 0.000 0.231 123 S C 1.739 176.340 174.600 0.003 0.000 1.014 123 S CA 2.777 60.984 58.200 0.011 0.000 0.965 123 S CB 0.039 63.243 63.200 0.007 0.000 0.785 123 S HN 0.203 8.515 8.310 0.003 0.000 0.495 124 L N 1.477 122.693 121.223 -0.011 0.000 2.240 124 L HA -0.080 4.243 4.340 -0.028 0.000 0.211 124 L C 0.397 177.242 176.870 -0.042 0.000 1.106 124 L CA 1.912 56.735 54.840 -0.029 0.000 0.793 124 L CB 0.488 42.524 42.059 -0.038 0.000 0.927 124 L HN -0.081 8.117 8.230 -0.013 0.025 0.446 125 T N -7.617 106.920 114.554 -0.028 0.000 3.084 125 T HA -0.010 4.298 4.350 -0.071 0.000 0.270 125 T C 0.146 174.861 174.700 0.026 0.000 1.008 125 T CA -1.048 61.032 62.100 -0.034 0.000 0.900 125 T CB 1.670 70.510 68.868 -0.047 0.000 1.084 125 T HN -0.728 7.601 8.240 -0.015 -0.098 0.538 126 D N 0.407 120.837 120.400 0.050 0.000 2.983 126 D HA -0.329 4.373 4.640 0.103 0.000 0.225 126 D C -1.703 174.650 176.300 0.089 0.000 1.174 126 D CA 1.620 55.682 54.000 0.104 0.000 0.831 126 D CB -0.904 39.998 40.800 0.170 0.000 1.104 126 D HN -0.247 8.143 8.370 0.035 0.000 0.421 127 L N -2.480 118.771 121.223 0.048 0.000 2.307 127 L HA 0.419 4.913 4.340 0.035 -0.132 0.284 127 L C -1.880 175.000 176.870 0.017 0.000 1.023 127 L CA -1.094 53.765 54.840 0.032 0.000 0.810 127 L CB 2.052 44.126 42.059 0.025 0.000 1.231 127 L HN -0.860 7.360 8.230 0.035 0.031 0.423 128 A N 2.585 125.409 122.820 0.007 0.000 2.374 128 A HA 0.753 5.203 4.320 0.011 -0.123 0.317 128 A C -2.125 175.469 177.584 0.016 0.000 1.094 128 A CA -2.114 49.927 52.037 0.006 0.000 0.765 128 A CB 3.853 22.847 19.000 -0.010 0.000 1.268 128 A HN 0.723 8.873 8.150 0.001 0.000 0.438 129 V N 1.332 121.265 119.914 0.033 0.000 2.448 129 V HA 0.755 5.091 4.120 0.062 -0.179 0.295 129 V C -1.103 175.030 176.094 0.066 0.000 1.025 129 V CA -1.610 60.729 62.300 0.065 0.000 0.859 129 V CB 1.929 33.810 31.823 0.096 0.000 0.988 129 V HN 0.427 8.636 8.190 0.032 0.000 0.431 130 L N 5.921 127.176 121.223 0.052 0.000 2.332 130 L HA 0.758 5.248 4.340 0.008 -0.145 0.269 130 L C -1.225 175.619 176.870 -0.044 0.000 1.016 130 L CA -1.830 53.014 54.840 0.008 0.000 0.809 130 L CB 2.939 44.992 42.059 -0.011 0.000 1.280 130 L HN 0.793 9.056 8.230 0.054 0.000 0.447 131 K N 0.643 120.969 120.400 -0.123 0.000 2.507 131 K HA 0.576 4.834 4.320 -0.411 -0.184 0.251 131 K C -1.545 174.919 176.600 -0.226 0.000 0.943 131 K CA -1.382 54.726 56.287 -0.298 0.000 0.794 131 K CB 2.698 34.971 32.500 -0.378 0.000 1.188 131 K HN -0.018 8.180 8.250 -0.088 0.000 0.428 132 I N 0.982 121.383 120.570 -0.282 0.000 2.693 132 I HA 0.527 4.589 4.170 -0.180 0.000 0.303 132 I C -2.064 173.862 176.117 -0.318 0.000 1.025 132 I CA -1.947 59.189 61.300 -0.275 0.000 1.086 132 I CB 3.045 40.814 38.000 -0.384 0.000 1.268 132 I HN 0.039 8.050 8.210 -0.331 0.000 0.440 133 N N 3.522 122.076 118.700 -0.244 0.000 2.511 133 N HA 0.224 4.845 4.740 -0.200 0.000 0.249 133 N C -1.450 173.954 175.510 -0.177 0.000 0.971 133 N CA -0.905 52.038 53.050 -0.180 0.000 0.938 133 N CB 0.665 39.106 38.487 -0.077 0.000 1.131 133 N HN 0.317 8.593 8.380 -0.174 0.000 0.505 134 A N 3.706 126.389 122.820 -0.229 0.000 2.355 134 A HA 0.405 4.760 4.320 0.058 0.000 0.317 134 A C -0.144 177.430 177.584 -0.016 0.000 1.094 134 A CA -0.745 51.214 52.037 -0.130 0.000 0.764 134 A CB 1.795 20.562 19.000 -0.388 0.000 1.230 134 A HN 0.099 8.112 8.150 -0.229 0.000 0.448 135 T N 2.912 117.507 114.554 0.067 0.000 2.737 135 T HA -0.205 4.161 4.350 0.026 0.000 0.265 135 T C 0.969 175.693 174.700 0.040 0.000 1.038 135 T CA 1.353 63.481 62.100 0.047 0.000 1.144 135 T CB 0.145 69.048 68.868 0.059 0.000 0.866 135 T HN 0.184 8.500 8.240 0.126 0.000 0.434 136 G N 0.678 109.521 108.800 0.071 0.000 2.569 136 G HA2 0.002 3.990 3.960 0.047 0.000 0.249 136 G HA3 0.002 4.012 3.960 0.084 0.000 0.249 136 G C -0.830 174.089 174.900 0.031 0.000 1.216 136 G CA -0.748 44.388 45.100 0.060 0.000 0.845 136 G HN -0.541 7.817 8.290 0.113 0.000 0.568 137 G N -0.323 108.492 108.800 0.025 0.000 2.432 137 G HA2 0.040 4.001 3.960 0.002 0.000 0.239 137 G HA3 0.040 4.009 3.960 0.014 0.000 0.239 137 G C -1.296 173.611 174.900 0.013 0.000 1.291 137 G CA -0.220 44.887 45.100 0.012 0.000 0.863 137 G HN -0.056 8.251 8.290 0.028 0.000 0.560 138 L N 3.925 125.145 121.223 -0.006 0.000 2.317 138 L HA 0.421 4.765 4.340 0.006 0.000 0.281 138 L C -1.943 174.928 176.870 0.002 0.000 1.024 138 L CA -3.034 51.799 54.840 -0.011 0.000 0.810 138 L CB 1.659 43.684 42.059 -0.058 0.000 1.240 138 L HN -0.389 8.081 8.230 -0.012 -0.248 0.427 139 P HA 0.046 4.473 4.420 0.012 0.000 0.268 139 P C -1.472 175.832 177.300 0.007 0.000 1.204 139 P CA -0.235 62.873 63.100 0.013 0.000 0.768 139 P CB 0.188 31.901 31.700 0.021 0.000 0.842 140 T N -2.218 112.340 114.554 0.005 0.000 2.924 140 T HA 0.168 4.662 4.350 0.006 -0.140 0.291 140 T C -0.196 174.504 174.700 -0.000 0.000 1.045 140 T CA -2.719 59.384 62.100 0.005 0.000 1.015 140 T CB 3.325 72.197 68.868 0.007 0.000 1.103 140 T HN -0.370 7.873 8.240 0.005 0.000 0.496 141 I N 2.111 122.680 120.570 -0.002 0.000 2.529 141 I HA 0.178 4.339 4.170 -0.015 0.000 0.284 141 I C -2.064 174.037 176.117 -0.027 0.000 1.082 141 I CA -2.956 58.336 61.300 -0.014 0.000 1.406 141 I CB 1.387 39.379 38.000 -0.013 0.000 1.405 141 I HN -0.209 8.003 8.210 0.003 0.000 0.548 142 P HA 0.070 4.466 4.420 -0.041 0.000 0.271 142 P C -1.864 175.378 177.300 -0.098 0.000 1.220 142 P CA -0.177 62.889 63.100 -0.056 0.000 0.768 142 P CB 0.507 32.174 31.700 -0.056 0.000 0.848 143 I N 2.594 123.112 120.570 -0.088 0.000 2.478 143 I HA 0.150 4.173 4.170 -0.244 0.000 0.287 143 I C -1.345 174.715 176.117 -0.096 0.000 1.042 143 I CA -0.370 60.853 61.300 -0.129 0.000 1.067 143 I CB 3.467 41.449 38.000 -0.029 0.000 1.233 143 I HN -0.049 8.126 8.210 -0.058 0.000 0.431 144 N N 7.442 126.040 118.700 -0.169 0.000 2.558 144 N HA 0.130 4.859 4.740 -0.018 0.000 0.242 144 N C 0.100 175.649 175.510 0.066 0.000 0.979 144 N CA -1.401 51.613 53.050 -0.060 0.000 0.931 144 N CB 0.382 38.821 38.487 -0.080 0.000 1.122 144 N HN 0.223 8.407 8.380 -0.326 0.000 0.508 145 A N 5.438 128.346 122.820 0.147 0.000 2.121 145 A HA -0.149 4.429 4.320 0.429 0.000 0.218 145 A C 0.565 178.256 177.584 0.177 0.000 1.154 145 A CA 2.008 54.188 52.037 0.238 0.000 0.679 145 A CB -0.069 19.010 19.000 0.132 0.000 0.795 145 A HN 0.739 8.948 8.150 0.098 0.000 0.458 146 R N -4.187 116.381 120.500 0.112 0.000 2.280 146 R HA 0.040 4.422 4.340 0.070 0.000 0.195 146 R C 0.007 176.355 176.300 0.079 0.000 0.935 146 R CA -0.243 55.904 56.100 0.077 0.000 1.033 146 R CB 0.506 30.834 30.300 0.047 0.000 0.964 146 R HN -0.652 7.873 8.270 0.089 -0.202 0.489 147 R N 1.841 122.398 120.500 0.097 0.000 2.401 147 R HA -0.141 4.220 4.340 0.035 0.000 0.299 147 R C -0.694 175.660 176.300 0.089 0.000 1.064 147 R CA 0.092 56.228 56.100 0.060 0.000 1.000 147 R CB -0.194 30.102 30.300 -0.007 0.000 0.973 147 R HN -0.694 7.631 8.270 0.107 0.008 0.438 148 V N 7.906 127.802 119.914 -0.030 0.000 2.364 148 V HA 0.153 4.242 4.120 -0.051 0.000 0.272 148 V C -1.712 174.172 176.094 -0.349 0.000 1.036 148 V CA -2.769 59.439 62.300 -0.154 0.000 0.880 148 V CB 0.824 32.515 31.823 -0.220 0.000 0.991 148 V HN 0.098 8.261 8.190 -0.044 0.000 0.460 149 P HA -0.041 4.324 4.420 -0.091 0.000 0.268 149 P C -1.630 175.523 177.300 -0.245 0.000 1.204 149 P CA -0.204 62.822 63.100 -0.124 0.000 0.768 149 P CB 0.579 32.302 31.700 0.039 0.000 0.842 150 H N 2.888 121.986 119.070 0.046 0.000 2.622 150 H HA 0.227 4.805 4.556 0.037 0.000 0.363 150 H C -0.041 175.303 175.328 0.027 0.000 1.151 150 H CA -1.791 54.278 56.048 0.034 0.000 1.184 150 H CB 3.868 33.645 29.762 0.026 0.000 1.643 150 H HN -0.178 8.368 8.280 0.030 -0.247 0.531 151 I N 2.552 123.222 120.570 0.168 0.000 2.668 151 I HA -0.562 3.781 4.170 0.076 -0.127 0.285 151 I C 1.229 177.389 176.117 0.071 0.000 1.168 151 I CA 2.159 63.514 61.300 0.092 0.000 1.424 151 I CB -0.662 37.381 38.000 0.071 0.000 1.377 151 I HN 0.595 8.916 8.210 0.184 0.000 0.560 152 G N 7.083 115.910 108.800 0.045 0.000 2.218 152 G HA2 -0.361 3.608 3.960 0.015 0.000 0.216 152 G HA3 -0.361 3.615 3.960 0.028 0.000 0.216 152 G C -0.452 174.463 174.900 0.025 0.000 0.994 152 G CA -0.614 44.503 45.100 0.028 0.000 0.637 152 G HN 0.402 8.715 8.290 0.038 0.000 0.505 153 D N 2.437 122.862 120.400 0.042 0.000 2.488 153 D HA -0.073 4.586 4.640 0.032 0.000 0.238 153 D C -0.004 176.281 176.300 -0.025 0.000 1.138 153 D CA 1.457 55.472 54.000 0.025 0.000 0.873 153 D CB 0.517 41.341 40.800 0.040 0.000 1.183 153 D HN -0.452 7.897 8.370 0.063 0.059 0.458 154 V N 2.409 122.288 119.914 -0.058 0.000 2.585 154 V HA 0.006 4.212 4.120 -0.141 -0.170 0.296 154 V C -0.014 175.971 176.094 -0.180 0.000 1.035 154 V CA 0.908 63.115 62.300 -0.155 0.000 1.084 154 V CB 0.060 31.728 31.823 -0.259 0.000 0.953 154 V HN 0.154 8.322 8.190 -0.037 0.000 0.483 155 V N 0.914 120.718 119.914 -0.183 0.000 2.962 155 V HA 0.949 5.139 4.120 -0.150 -0.161 0.313 155 V C -1.467 174.526 176.094 -0.170 0.000 1.099 155 V CA -3.206 59.004 62.300 -0.150 0.000 0.971 155 V CB 3.775 35.548 31.823 -0.083 0.000 1.028 155 V HN 0.040 8.125 8.190 -0.175 0.000 0.430 156 L N 0.845 121.988 121.223 -0.134 0.000 2.341 156 L HA 0.832 5.299 4.340 -0.105 -0.190 0.278 156 L C -1.116 175.718 176.870 -0.060 0.000 1.005 156 L CA -2.095 52.685 54.840 -0.099 0.000 0.818 156 L CB 2.833 44.843 42.059 -0.082 0.000 1.259 156 L HN 0.646 8.806 8.230 -0.117 0.000 0.418 157 A N 3.291 126.082 122.820 -0.047 0.000 2.290 157 A HA 0.833 5.302 4.320 -0.032 -0.169 0.310 157 A C -1.380 176.189 177.584 -0.026 0.000 1.202 157 A CA -1.850 50.166 52.037 -0.035 0.000 0.837 157 A CB 2.220 21.199 19.000 -0.036 0.000 1.139 157 A HN 0.463 8.585 8.150 -0.048 0.000 0.509 158 I N 2.602 123.157 120.570 -0.024 0.000 2.439 158 I HA 0.747 5.103 4.170 -0.015 -0.195 0.285 158 I C -0.820 175.281 176.117 -0.028 0.000 1.021 158 I CA -1.406 59.882 61.300 -0.020 0.000 1.091 158 I CB 1.968 39.959 38.000 -0.015 0.000 1.242 158 I HN 0.373 8.569 8.210 -0.024 0.000 0.439 159 G N 4.952 113.732 108.800 -0.033 0.000 2.561 159 G HA2 0.263 4.189 3.960 -0.057 0.000 0.310 159 G HA3 0.263 4.183 3.960 -0.067 0.000 0.310 159 G C -3.342 171.524 174.900 -0.056 0.000 1.292 159 G CA 0.480 45.547 45.100 -0.055 0.000 0.811 159 G HN -0.276 7.998 8.290 -0.025 0.000 0.482 160 N N 0.410 119.054 118.700 -0.092 0.000 2.918 160 N HA 0.665 5.382 4.740 -0.040 0.000 0.270 160 N C -1.916 173.533 175.510 -0.101 0.000 1.536 160 N CA -3.780 49.221 53.050 -0.081 0.000 0.877 160 N CB 1.750 40.167 38.487 -0.116 0.000 1.190 160 N HN -0.199 8.108 8.380 -0.121 0.000 0.492 161 P HA 0.062 4.503 4.420 -0.291 -0.196 0.271 161 P C -0.127 177.179 177.300 0.010 0.000 1.233 161 P CA 0.116 63.130 63.100 -0.144 0.000 0.764 161 P CB -0.257 31.414 31.700 -0.049 0.000 0.825 162 Y N 0.693 121.036 120.300 0.071 0.000 4.079 162 Y HA -0.519 4.126 4.550 0.158 0.000 0.223 162 Y C -1.029 174.920 175.900 0.082 0.000 1.155 162 Y CA 1.102 59.265 58.100 0.105 0.000 1.805 162 Y CB -2.510 36.000 38.460 0.084 0.000 1.571 162 Y HN 0.246 8.320 8.280 -0.343 0.000 0.654 163 N N -3.403 115.387 118.700 0.150 0.000 2.693 163 N HA -0.363 4.562 4.740 0.111 -0.119 0.249 163 N C 0.472 176.065 175.510 0.139 0.000 1.119 163 N CA 1.196 54.332 53.050 0.144 0.000 0.717 163 N CB -0.693 37.907 38.487 0.189 0.000 1.071 163 N HN -0.305 8.094 8.380 0.074 0.026 0.555 164 L N -2.061 119.242 121.223 0.133 0.000 2.275 164 L HA -0.201 4.201 4.340 0.103 0.000 0.215 164 L C 1.047 177.967 176.870 0.083 0.000 1.119 164 L CA 1.428 56.332 54.840 0.108 0.000 0.790 164 L CB 0.290 42.417 42.059 0.113 0.000 0.919 164 L HN -0.563 7.713 8.230 0.146 0.041 0.443 165 G N -4.065 104.782 108.800 0.077 0.000 2.497 165 G HA2 -0.270 3.739 3.960 0.075 0.000 0.686 165 G HA3 -0.270 3.727 3.960 0.062 0.000 0.686 165 G C -2.271 172.654 174.900 0.041 0.000 1.288 165 G CA -0.953 44.185 45.100 0.064 0.000 0.899 165 G HN -0.516 8.067 8.290 0.077 -0.247 0.608 166 Q N 1.667 121.486 119.800 0.033 0.000 2.308 166 Q HA -0.226 4.294 4.340 0.006 -0.177 0.313 166 Q C -0.297 175.716 176.000 0.021 0.000 1.075 166 Q CA 1.519 57.333 55.803 0.018 0.000 0.995 166 Q CB 0.410 29.160 28.738 0.020 0.000 1.107 166 Q HN 0.353 8.646 8.270 0.039 0.000 0.380 167 T N 9.394 123.956 114.554 0.014 0.000 2.848 167 T HA 0.247 4.612 4.350 0.026 0.000 0.285 167 T C -1.802 172.905 174.700 0.012 0.000 0.995 167 T CA -0.797 61.314 62.100 0.020 0.000 0.970 167 T CB 1.901 70.785 68.868 0.027 0.000 0.976 167 T HN 0.531 8.774 8.240 0.004 0.000 0.441 168 I N 5.292 125.873 120.570 0.017 0.000 2.359 168 I HA 0.725 5.089 4.170 0.004 -0.192 0.294 168 I C 0.241 176.367 176.117 0.015 0.000 0.987 168 I CA -2.499 58.809 61.300 0.013 0.000 1.225 168 I CB 0.312 38.326 38.000 0.024 0.000 1.366 168 I HN 0.356 8.580 8.210 0.023 0.000 0.466 169 T N 4.444 118.999 114.554 0.001 0.000 2.916 169 T HA 0.379 4.735 4.350 0.011 0.000 0.292 169 T C -1.973 172.713 174.700 -0.023 0.000 1.064 169 T CA -2.120 59.979 62.100 -0.002 0.000 1.011 169 T CB 2.567 71.432 68.868 -0.004 0.000 1.152 169 T HN 0.152 8.386 8.240 -0.008 0.000 0.510 170 Q N 3.470 123.255 119.800 -0.025 0.000 2.347 170 Q HA 0.727 5.169 4.340 -0.096 -0.161 0.271 170 Q C -1.159 174.804 176.000 -0.062 0.000 1.064 170 Q CA -1.080 54.685 55.803 -0.063 0.000 0.800 170 Q CB 3.707 32.419 28.738 -0.042 0.000 1.304 170 Q HN 0.074 8.337 8.270 -0.011 0.000 0.438 171 G N 4.048 112.793 108.800 -0.092 0.000 2.793 171 G HA2 0.717 4.642 3.960 -0.057 0.000 0.248 171 G HA3 0.717 4.826 3.960 -0.067 -0.189 0.248 171 G C -2.620 172.229 174.900 -0.085 0.000 1.198 171 G CA 0.309 45.365 45.100 -0.073 0.000 0.865 171 G HN 0.364 8.581 8.290 -0.121 0.000 0.534 172 I N -5.717 114.815 120.570 -0.063 0.000 3.174 172 I HA 0.956 5.275 4.170 -0.062 -0.186 0.313 172 I C -1.008 175.087 176.117 -0.036 0.000 1.155 172 I CA -2.551 58.719 61.300 -0.050 0.000 0.977 172 I CB 4.576 42.558 38.000 -0.030 0.000 1.248 172 I HN 0.576 9.086 8.210 -0.058 -0.334 0.453 173 I N 1.810 122.372 120.570 -0.015 0.000 2.494 173 I HA -0.036 4.259 4.170 -0.001 -0.126 0.289 173 I C 0.452 176.575 176.117 0.010 0.000 1.106 173 I CA 0.880 62.183 61.300 0.006 0.000 1.369 173 I CB -0.863 37.156 38.000 0.031 0.000 1.410 173 I HN 0.015 8.219 8.210 -0.010 0.000 0.523 174 S N 9.436 125.134 115.700 -0.003 0.000 2.446 174 S HA -0.058 4.410 4.470 -0.004 0.000 0.225 174 S C -0.890 173.726 174.600 0.028 0.000 1.016 174 S CA 1.373 59.572 58.200 -0.003 0.000 0.943 174 S CB 0.545 63.723 63.200 -0.037 0.000 0.786 174 S HN 0.557 8.748 8.310 -0.014 0.110 0.508 175 A N -2.486 120.366 122.820 0.053 0.000 2.605 175 A HA 0.383 4.745 4.320 0.070 0.000 0.294 175 A C -2.193 175.451 177.584 0.100 0.000 1.062 175 A CA 0.184 52.269 52.037 0.080 0.000 0.682 175 A CB 1.950 21.012 19.000 0.103 0.000 1.278 175 A HN -0.891 7.290 8.150 0.052 0.000 0.410 176 T N -3.299 111.311 114.554 0.094 0.000 3.092 176 T HA 0.034 4.443 4.350 0.097 0.000 0.258 176 T C -0.220 174.534 174.700 0.091 0.000 1.031 176 T CA -0.577 61.577 62.100 0.090 0.000 0.925 176 T CB 0.463 69.373 68.868 0.069 0.000 1.036 176 T HN 0.285 8.576 8.240 0.086 0.000 0.544 177 G N 0.370 109.235 108.800 0.109 0.000 2.369 177 G HA2 -0.091 4.064 3.960 0.125 0.000 0.307 177 G HA3 -0.091 3.908 3.960 0.065 0.000 0.307 177 G C -1.956 172.995 174.900 0.086 0.000 1.327 177 G CA -0.310 44.847 45.100 0.097 0.000 0.963 177 G HN -0.634 7.675 8.290 0.119 0.053 0.590 178 R N -0.492 120.046 120.500 0.065 0.000 2.621 178 R HA 0.407 4.781 4.340 0.058 0.000 0.284 178 R C -1.088 175.230 176.300 0.030 0.000 0.998 178 R CA -1.938 54.195 56.100 0.055 0.000 0.895 178 R CB 1.936 32.276 30.300 0.067 0.000 1.195 178 R HN 0.007 8.203 8.270 0.051 0.105 0.450 179 I N 0.191 120.777 120.570 0.027 0.000 2.480 179 I HA -0.054 4.122 4.170 0.010 0.000 0.251 179 I C 1.106 177.230 176.117 0.012 0.000 1.124 179 I CA -0.102 61.208 61.300 0.015 0.000 1.444 179 I CB -0.038 37.971 38.000 0.016 0.000 1.098 179 I HN 0.303 8.532 8.210 0.031 0.000 0.428 180 G N -1.605 107.207 108.800 0.019 0.000 2.488 180 G HA2 0.189 4.156 3.960 0.011 0.000 0.318 180 G HA3 0.189 4.160 3.960 0.018 0.000 0.318 180 G C -1.406 173.504 174.900 0.017 0.000 1.188 180 G CA -0.878 44.231 45.100 0.016 0.000 0.944 180 G HN -0.587 7.718 8.290 0.025 0.000 0.495 181 L N -0.964 120.267 121.223 0.013 0.000 2.485 181 L HA -0.108 4.236 4.340 0.007 0.000 0.275 181 L C -0.041 176.843 176.870 0.022 0.000 1.207 181 L CA 0.728 55.575 54.840 0.011 0.000 0.855 181 L CB -0.174 41.889 42.059 0.007 0.000 1.114 181 L HN 0.080 8.316 8.230 0.010 0.000 0.485 182 N N 2.671 121.385 118.700 0.024 0.000 3.020 182 N HA 0.288 5.055 4.740 0.044 0.000 0.248 182 N C -1.827 173.701 175.510 0.030 0.000 1.480 182 N CA -0.950 52.124 53.050 0.040 0.000 0.874 182 N CB 0.275 38.797 38.487 0.058 0.000 1.433 182 N HN -0.320 8.070 8.380 0.015 0.000 0.530 183 P HA -0.147 4.285 4.420 0.018 0.000 0.220 183 P C 0.027 177.300 177.300 -0.044 0.000 1.148 183 P CA 1.910 65.029 63.100 0.032 0.000 0.803 183 P CB 0.292 32.068 31.700 0.126 0.000 0.782 184 T N -5.698 108.812 114.554 -0.074 0.000 2.915 184 T HA -0.241 3.958 4.350 -0.252 0.000 0.269 184 T C 1.549 176.222 174.700 -0.045 0.000 1.071 184 T CA 1.096 63.098 62.100 -0.163 0.000 1.132 184 T CB 0.543 69.259 68.868 -0.255 0.000 0.878 184 T HN -0.315 8.206 8.240 -0.036 -0.303 0.479 185 G N 1.507 110.294 108.800 -0.022 0.000 2.179 185 G HA2 -0.419 3.596 3.960 -0.019 0.000 0.260 185 G HA3 -0.419 3.524 3.960 -0.027 0.000 0.260 185 G C -0.765 174.117 174.900 -0.031 0.000 0.977 185 G CA -0.204 44.883 45.100 -0.022 0.000 0.641 185 G HN -0.299 7.863 8.290 -0.015 0.119 0.533 186 R N -1.997 118.488 120.500 -0.025 0.000 2.919 186 R HA 0.364 4.639 4.340 -0.109 0.000 0.260 186 R C -1.187 175.075 176.300 -0.063 0.000 1.067 186 R CA -2.327 53.713 56.100 -0.101 0.000 1.003 186 R CB 1.970 32.096 30.300 -0.290 0.000 1.192 186 R HN -0.508 7.701 8.270 0.014 0.068 0.488 187 Q N -2.539 117.200 119.800 -0.102 0.000 2.189 187 Q HA 0.139 4.473 4.340 -0.009 0.000 0.223 187 Q C -0.195 175.776 176.000 -0.048 0.000 0.828 187 Q CA 0.463 56.238 55.803 -0.047 0.000 0.967 187 Q CB 1.274 29.985 28.738 -0.045 0.000 1.139 187 Q HN 0.475 8.655 8.270 -0.149 0.000 0.497 188 N N -2.349 116.278 118.700 -0.122 0.000 2.241 188 N HA 0.052 4.768 4.740 -0.040 0.000 0.238 188 N C -1.442 174.035 175.510 -0.054 0.000 1.244 188 N CA -1.091 51.899 53.050 -0.099 0.000 0.880 188 N CB -0.623 37.775 38.487 -0.148 0.000 1.179 188 N HN -0.124 8.126 8.380 -0.217 0.000 0.513 189 F N 0.499 120.466 119.950 0.029 0.000 2.484 189 F HA -0.030 4.656 4.527 0.077 -0.113 0.360 189 F C -0.076 175.801 175.800 0.128 0.000 1.101 189 F CA 0.492 58.543 58.000 0.085 0.000 1.251 189 F CB 0.576 39.634 39.000 0.097 0.000 1.132 189 F HN -0.623 7.734 8.300 0.095 0.000 0.570 190 L N 2.288 123.742 121.223 0.384 0.000 2.349 190 L HA 0.098 4.720 4.340 0.206 -0.158 0.275 190 L C -0.710 176.311 176.870 0.251 0.000 1.115 190 L CA -0.516 54.473 54.840 0.248 0.000 0.820 190 L CB 0.406 42.570 42.059 0.175 0.000 1.135 190 L HN 0.133 8.603 8.230 0.401 0.000 0.445 191 Q N 4.009 123.907 119.800 0.164 0.000 2.266 191 Q HA 0.853 5.330 4.340 -0.091 -0.191 0.261 191 Q C -0.876 175.084 176.000 -0.067 0.000 0.985 191 Q CA -1.633 54.174 55.803 0.006 0.000 0.873 191 Q CB 3.628 32.394 28.738 0.047 0.000 1.306 191 Q HN 0.118 8.478 8.270 0.150 0.000 0.447 192 T N 2.852 117.303 114.554 -0.171 0.000 2.853 192 T HA 0.632 5.087 4.350 -0.085 -0.156 0.311 192 T C -1.719 172.889 174.700 -0.153 0.000 1.307 192 T CA -2.418 59.610 62.100 -0.120 0.000 1.019 192 T CB 1.374 70.192 68.868 -0.083 0.000 1.264 192 T HN 0.350 8.416 8.240 -0.289 0.000 0.497 193 D N 4.133 124.468 120.400 -0.107 0.000 2.395 193 D HA 0.237 4.869 4.640 -0.121 -0.065 0.213 193 D C 0.033 176.287 176.300 -0.076 0.000 1.110 193 D CA -1.642 52.299 54.000 -0.099 0.000 0.835 193 D CB -0.055 40.699 40.800 -0.078 0.000 0.965 193 D HN -0.017 8.301 8.370 -0.086 0.000 0.505 194 A N 1.536 124.311 122.820 -0.075 0.000 2.545 194 A HA -0.214 4.240 4.320 -0.052 -0.165 0.253 194 A C -0.515 177.037 177.584 -0.054 0.000 1.074 194 A CA 0.897 52.898 52.037 -0.060 0.000 0.760 194 A CB 0.164 19.127 19.000 -0.062 0.000 1.005 194 A HN -0.665 7.391 8.150 -0.080 0.046 0.506 195 S N 2.537 118.217 115.700 -0.034 0.000 2.596 195 S HA -0.147 4.308 4.470 -0.025 0.000 0.298 195 S C -0.852 173.736 174.600 -0.020 0.000 1.255 195 S CA 1.063 59.251 58.200 -0.020 0.000 1.083 195 S CB -0.023 63.179 63.200 0.003 0.000 0.837 195 S HN 0.179 8.473 8.310 -0.028 0.000 0.499 196 I N 6.398 126.953 120.570 -0.024 0.000 2.498 196 I HA 0.132 4.282 4.170 -0.034 0.000 0.290 196 I C -1.774 174.332 176.117 -0.018 0.000 1.032 196 I CA -1.126 60.156 61.300 -0.031 0.000 1.073 196 I CB 1.882 39.853 38.000 -0.049 0.000 1.251 196 I HN 0.408 8.604 8.210 -0.024 0.000 0.426 197 N N 4.881 123.552 118.700 -0.048 0.000 2.629 197 N HA 0.308 5.037 4.740 -0.020 0.000 0.279 197 N C -1.723 173.667 175.510 -0.200 0.000 1.344 197 N CA -1.571 51.428 53.050 -0.085 0.000 0.789 197 N CB 4.331 42.779 38.487 -0.066 0.000 1.508 197 N HN 0.103 8.745 8.380 -0.069 -0.303 0.516 198 H N 0.159 118.985 119.070 -0.406 0.000 3.107 198 H HA -0.237 4.198 4.556 -0.202 0.000 0.301 198 H C 0.553 175.619 175.328 -0.437 0.000 0.981 198 H CA 2.441 58.265 56.048 -0.374 0.000 1.443 198 H CB 0.471 30.026 29.762 -0.345 0.000 1.479 198 H HN 0.490 8.624 8.280 -0.245 0.000 0.564 199 G N 5.803 114.184 108.800 -0.699 0.000 2.284 199 G HA2 -0.406 3.236 3.960 -0.530 0.000 0.201 199 G HA3 -0.406 3.466 3.960 -0.410 -0.159 0.201 199 G C -0.691 174.038 174.900 -0.286 0.000 0.998 199 G CA -0.123 44.687 45.100 -0.483 0.000 0.651 199 G HN 0.244 8.118 8.290 -0.692 0.000 0.489 203 G N 0.584 109.364 108.800 -0.033 0.000 2.537 203 G HA2 0.510 4.452 3.960 -0.030 0.000 0.297 203 G HA3 0.510 4.588 3.960 -0.038 -0.140 0.297 203 G C -2.372 172.524 174.900 -0.006 0.000 1.310 203 G CA -1.238 43.846 45.100 -0.028 0.000 1.027 203 G HN -0.528 7.741 8.290 -0.036 0.000 0.505 204 A N -2.031 120.783 122.820 -0.009 0.000 2.310 204 A HA 0.517 4.966 4.320 0.009 -0.123 0.299 204 A C -2.124 175.455 177.584 -0.008 0.000 1.147 204 A CA -1.543 50.492 52.037 -0.003 0.000 0.818 204 A CB 2.356 21.349 19.000 -0.011 0.000 1.096 204 A HN -0.178 7.963 8.150 -0.016 0.000 0.495 205 L N 4.485 125.708 121.223 -0.000 0.000 2.316 205 L HA 0.894 5.423 4.340 -0.024 -0.203 0.280 205 L C -1.706 175.146 176.870 -0.029 0.000 1.006 205 L CA -1.081 53.752 54.840 -0.012 0.000 0.836 205 L CB 2.845 44.909 42.059 0.009 0.000 1.221 205 L HN -0.048 8.190 8.230 0.014 0.000 0.418 206 V N 1.730 121.613 119.914 -0.051 0.000 3.019 206 V HA 0.960 5.178 4.120 -0.088 -0.150 0.317 206 V C -1.457 174.587 176.094 -0.083 0.000 1.094 206 V CA -3.876 58.380 62.300 -0.073 0.000 1.000 206 V CB 3.677 35.459 31.823 -0.067 0.000 1.060 206 V HN 0.629 8.788 8.190 -0.052 0.000 0.443 207 N N 0.599 119.245 118.700 -0.089 0.000 2.431 207 N HA 0.471 5.320 4.740 -0.098 -0.167 0.289 207 N C 1.906 177.372 175.510 -0.075 0.000 1.277 207 N CA -1.601 51.398 53.050 -0.085 0.000 0.972 207 N CB 0.888 39.336 38.487 -0.065 0.000 1.143 207 N HN -0.091 8.229 8.380 -0.100 0.000 0.578 208 S N -1.049 114.617 115.700 -0.057 0.000 2.547 208 S HA -0.150 4.322 4.470 0.003 0.000 0.235 208 S C 0.638 175.266 174.600 0.047 0.000 0.980 208 S CA 2.184 60.394 58.200 0.017 0.000 0.941 208 S CB -0.737 62.527 63.200 0.105 0.000 0.763 208 S HN 0.379 8.657 8.310 -0.053 0.000 0.532 209 L N -2.835 118.392 121.223 0.007 0.000 2.607 209 L HA 0.244 4.596 4.340 0.020 0.000 0.228 209 L C 0.736 177.597 176.870 -0.015 0.000 1.123 209 L CA -0.249 54.592 54.840 0.003 0.000 0.890 209 L CB 0.076 42.130 42.059 -0.010 0.000 1.103 209 L HN -0.724 7.682 8.230 -0.014 -0.185 0.468 210 G N -1.872 106.912 108.800 -0.027 0.000 2.176 210 G HA2 -0.471 3.469 3.960 -0.033 0.000 0.253 210 G HA3 -0.471 3.474 3.960 -0.026 0.000 0.253 210 G C -0.527 174.330 174.900 -0.072 0.000 0.979 210 G CA -0.026 45.052 45.100 -0.037 0.000 0.641 210 G HN -0.213 7.956 8.290 -0.029 0.104 0.530 211 E N 0.148 120.287 120.200 -0.101 0.000 2.316 211 E HA -0.124 4.273 4.350 -0.167 -0.147 0.275 211 E C -0.555 175.905 176.600 -0.232 0.000 1.029 211 E CA -0.547 55.749 56.400 -0.174 0.000 0.871 211 E CB 0.894 30.477 29.700 -0.194 0.000 1.022 211 E HN -0.507 8.010 8.360 -0.089 -0.210 0.418 212 L N 5.668 126.717 121.223 -0.289 0.000 2.513 212 L HA -0.247 3.998 4.340 -0.158 0.000 0.272 212 L C -0.927 175.686 176.870 -0.428 0.000 1.187 212 L CA 1.452 56.132 54.840 -0.267 0.000 0.895 212 L CB 0.247 42.195 42.059 -0.184 0.000 1.147 212 L HN 0.037 8.098 8.230 -0.281 0.000 0.483 213 M N 4.063 123.575 119.600 -0.146 0.000 2.657 213 M HA 0.164 4.656 4.480 0.021 0.000 0.262 213 M C 0.165 176.615 176.300 0.250 0.000 1.213 213 M CA 0.342 55.664 55.300 0.036 0.000 1.182 213 M CB 1.767 34.383 32.600 0.027 0.000 1.303 213 M HN 0.689 8.823 8.290 -0.084 0.105 0.501 214 G N -4.286 104.605 108.800 0.151 0.000 2.548 214 G HA2 0.400 4.633 3.960 0.225 0.000 0.301 214 G HA3 0.400 4.482 3.960 0.169 -0.021 0.301 214 G C -2.934 172.036 174.900 0.117 0.000 1.349 214 G CA 0.307 45.511 45.100 0.173 0.000 0.792 214 G HN -0.508 7.832 8.290 0.084 0.000 0.481 215 I N -1.107 119.537 120.570 0.123 0.000 2.355 215 I HA 0.588 4.975 4.170 0.069 -0.176 0.288 215 I C -0.734 175.446 176.117 0.106 0.000 0.999 215 I CA -3.586 57.770 61.300 0.094 0.000 1.163 215 I CB 0.438 38.491 38.000 0.088 0.000 1.316 215 I HN 0.193 8.489 8.210 0.143 0.000 0.454 216 N N 8.547 127.288 118.700 0.068 0.000 2.468 216 N HA 0.006 4.923 4.740 0.073 -0.133 0.265 216 N C -0.016 175.546 175.510 0.088 0.000 1.199 216 N CA 1.394 54.481 53.050 0.062 0.000 0.928 216 N CB 0.487 38.984 38.487 0.016 0.000 1.059 216 N HN 0.179 8.587 8.380 0.046 0.000 0.467 217 T N 4.062 118.683 114.554 0.111 0.000 3.250 217 T HA 0.391 5.102 4.350 0.211 -0.234 0.265 217 T C -0.379 174.377 174.700 0.094 0.000 0.973 217 T CA 0.692 62.890 62.100 0.164 0.000 1.040 217 T CB 2.051 71.062 68.868 0.239 0.000 1.167 217 T HN 0.416 8.711 8.240 0.090 0.000 0.471 218 L N -0.884 120.360 121.223 0.034 0.000 2.327 218 L HA 0.398 4.733 4.340 -0.009 0.000 0.258 218 L C -2.089 174.835 176.870 0.089 0.000 1.024 218 L CA -1.284 53.571 54.840 0.025 0.000 0.825 218 L CB 4.023 46.052 42.059 -0.050 0.000 1.386 218 L HN -0.742 7.507 8.230 0.030 0.000 0.417 219 S N -0.811 114.940 115.700 0.086 0.000 2.547 219 S HA 0.240 4.834 4.470 0.017 -0.114 0.281 219 S C -0.946 173.747 174.600 0.155 0.000 1.118 219 S CA -1.551 56.694 58.200 0.075 0.000 0.947 219 S CB 1.993 65.213 63.200 0.032 0.000 1.053 219 S HN -0.088 8.253 8.310 0.052 0.000 0.482 220 F N 7.145 127.140 119.950 0.076 0.000 2.578 220 F HA -0.186 4.465 4.527 0.206 0.000 0.381 220 F C -0.480 175.354 175.800 0.057 0.000 1.069 220 F CA 1.702 59.779 58.000 0.128 0.000 1.231 220 F CB 0.855 39.913 39.000 0.097 0.000 1.086 220 F HN 0.078 8.527 8.300 0.248 0.000 0.564 221 D N 6.851 127.182 120.400 -0.116 0.000 2.178 221 D HA -0.073 4.584 4.640 0.028 0.000 0.217 221 D C 0.399 176.757 176.300 0.097 0.000 0.992 221 D CA 1.797 55.785 54.000 -0.020 0.000 0.895 221 D CB 0.543 41.271 40.800 -0.121 0.000 1.031 221 D HN 0.148 8.205 8.370 -0.522 0.000 0.453 228 T N 5.367 119.944 114.554 0.038 0.000 2.874 228 T HA 0.399 4.791 4.350 0.070 0.000 0.321 228 T C -1.982 172.739 174.700 0.035 0.000 1.075 228 T CA -1.943 60.186 62.100 0.048 0.000 0.966 228 T CB 0.538 69.428 68.868 0.037 0.000 1.001 228 T HN -0.040 8.216 8.240 0.026 0.000 0.476 229 P HA 0.045 4.431 4.420 -0.057 0.000 0.269 229 P C -1.691 175.608 177.300 -0.001 0.000 1.209 229 P CA -0.185 62.914 63.100 -0.000 0.000 0.776 229 P CB 0.688 32.422 31.700 0.056 0.000 0.876 230 E N 1.127 121.300 120.200 -0.044 0.000 2.234 230 E HA 0.060 4.401 4.350 -0.016 0.000 0.266 230 E C -0.107 176.455 176.600 -0.064 0.000 0.877 230 E CA -0.269 56.109 56.400 -0.036 0.000 0.758 230 E CB 1.206 30.888 29.700 -0.030 0.000 1.170 230 E HN 0.042 8.356 8.360 -0.076 0.000 0.415 231 G N 2.971 111.736 108.800 -0.059 0.000 2.221 231 G HA2 -0.392 3.523 3.960 -0.076 0.000 0.265 231 G HA3 -0.392 3.523 3.960 -0.076 0.000 0.265 231 G C -1.294 173.524 174.900 -0.136 0.000 1.041 231 G CA 0.410 45.460 45.100 -0.083 0.000 0.807 231 G HN 0.625 8.891 8.290 -0.041 0.000 0.502 232 I N -0.007 120.467 120.570 -0.160 0.000 2.437 232 I HA 0.159 4.133 4.170 -0.327 0.000 0.279 232 I C -1.755 174.114 176.117 -0.414 0.000 1.028 232 I CA -0.866 60.263 61.300 -0.284 0.000 1.142 232 I CB 0.714 38.577 38.000 -0.229 0.000 1.266 232 I HN -0.377 7.764 8.210 -0.114 0.000 0.461 233 G N 5.057 113.509 108.800 -0.580 0.000 2.569 233 G HA2 0.863 4.635 3.960 -0.477 0.000 0.300 233 G HA3 0.863 4.629 3.960 -0.322 0.000 0.300 233 G C -2.608 171.778 174.900 -0.857 0.000 1.269 233 G CA -1.482 43.282 45.100 -0.559 0.000 0.959 233 G HN 0.348 8.323 8.290 -0.525 0.000 0.478 234 F N -1.953 117.896 119.950 -0.169 0.000 2.565 234 F HA 0.921 5.536 4.527 -0.191 -0.203 0.313 234 F C -1.955 173.748 175.800 -0.161 0.000 1.091 234 F CA -1.951 55.873 58.000 -0.294 0.000 0.915 234 F CB 4.807 43.318 39.000 -0.815 0.000 1.208 234 F HN 0.175 8.379 8.300 -0.160 0.000 0.453 235 A N 0.343 123.284 122.820 0.202 0.000 2.414 235 A HA 0.817 5.419 4.320 0.210 -0.157 0.306 235 A C -1.871 175.965 177.584 0.421 0.000 1.054 235 A CA -2.252 49.932 52.037 0.244 0.000 0.724 235 A CB 3.864 22.955 19.000 0.152 0.000 1.267 235 A HN 0.859 9.169 8.150 0.268 0.000 0.418 236 I N 1.567 122.345 120.570 0.347 0.000 2.517 236 I HA 0.218 4.524 4.170 0.226 0.000 0.285 236 I C -1.401 174.809 176.117 0.156 0.000 1.106 236 I CA -3.362 58.077 61.300 0.232 0.000 1.402 236 I CB -0.455 37.633 38.000 0.146 0.000 1.399 236 I HN 0.121 8.507 8.210 0.294 0.000 0.535 237 P HA 0.109 4.747 4.420 0.144 -0.132 0.268 237 P C 1.139 178.457 177.300 0.030 0.000 1.205 237 P CA -0.384 62.759 63.100 0.071 0.000 0.771 237 P CB 0.234 31.919 31.700 -0.024 0.000 0.858 238 F N 2.189 122.145 119.950 0.011 0.000 2.216 238 F HA -0.341 4.190 4.527 0.007 0.000 0.300 238 F C 1.224 177.019 175.800 -0.008 0.000 1.085 238 F CA 3.483 61.484 58.000 0.002 0.000 1.326 238 F CB -0.797 38.202 39.000 -0.002 0.000 1.027 238 F HN -0.134 8.400 8.300 0.389 0.000 0.497 239 Q N -0.077 119.146 119.800 -0.962 0.000 2.084 239 Q HA -0.361 3.623 4.340 -0.594 0.000 0.202 239 Q C 2.124 177.955 176.000 -0.281 0.000 0.978 239 Q CA 3.285 58.685 55.803 -0.671 0.000 0.844 239 Q CB -1.041 27.282 28.738 -0.692 0.000 0.898 239 Q HN 0.123 7.647 8.270 -1.243 0.000 0.426 240 L N -0.887 120.202 121.223 -0.222 0.000 2.056 240 L HA -0.263 4.001 4.340 -0.126 0.000 0.207 240 L C 1.158 177.982 176.870 -0.076 0.000 1.078 240 L CA 2.558 57.321 54.840 -0.129 0.000 0.749 240 L CB -0.622 41.367 42.059 -0.116 0.000 0.901 240 L HN -0.735 7.344 8.230 -0.251 0.000 0.433 241 A N -2.234 120.561 122.820 -0.041 0.000 1.930 241 A HA -0.324 3.995 4.320 -0.001 0.000 0.217 241 A C 2.140 179.725 177.584 0.002 0.000 1.175 241 A CA 3.216 55.256 52.037 0.005 0.000 0.627 241 A CB -0.882 18.151 19.000 0.055 0.000 0.815 241 A HN -0.282 7.760 8.150 -0.042 0.083 0.443 242 T N 0.368 114.924 114.554 0.003 0.000 2.746 242 T HA -0.443 3.915 4.350 0.014 0.000 0.267 242 T C 1.969 176.650 174.700 -0.031 0.000 1.039 242 T CA 5.098 67.199 62.100 0.002 0.000 1.142 242 T CB -0.173 68.709 68.868 0.023 0.000 0.866 242 T HN -0.348 7.891 8.240 -0.002 0.000 0.444 243 K N 1.431 121.801 120.400 -0.050 0.000 2.026 243 K HA -0.300 3.988 4.320 -0.053 0.000 0.208 243 K C 2.329 178.899 176.600 -0.050 0.000 1.048 243 K CA 3.628 59.883 56.287 -0.055 0.000 0.929 243 K CB -0.161 32.300 32.500 -0.066 0.000 0.713 243 K HN -0.794 7.419 8.250 -0.062 0.000 0.439 244 I N -0.857 119.686 120.570 -0.044 0.000 2.286 244 I HA -0.389 3.758 4.170 -0.039 0.000 0.248 244 I C 1.972 178.068 176.117 -0.035 0.000 1.115 244 I CA 2.074 63.352 61.300 -0.036 0.000 1.392 244 I CB -1.029 36.954 38.000 -0.028 0.000 1.065 244 I HN -0.408 7.776 8.210 -0.045 0.000 0.418 245 M N 0.648 120.228 119.600 -0.034 0.000 2.117 245 M HA -0.497 3.966 4.480 -0.029 0.000 0.262 245 M C 1.542 177.789 176.300 -0.087 0.000 1.065 245 M CA 4.436 59.710 55.300 -0.044 0.000 1.114 245 M CB -0.273 32.307 32.600 -0.033 0.000 1.361 245 M HN -0.346 7.832 8.290 -0.029 0.095 0.408 246 D N -0.481 119.866 120.400 -0.088 0.000 2.117 246 D HA -0.278 4.271 4.640 -0.153 0.000 0.198 246 D C 2.600 178.846 176.300 -0.090 0.000 0.982 246 D CA 3.427 57.362 54.000 -0.109 0.000 0.828 246 D CB -0.691 40.059 40.800 -0.084 0.000 0.967 246 D HN -0.435 7.893 8.370 -0.071 0.000 0.464 247 K N -0.614 119.748 120.400 -0.064 0.000 2.057 247 K HA -0.236 4.055 4.320 -0.049 0.000 0.206 247 K C 2.216 178.790 176.600 -0.043 0.000 1.050 247 K CA 3.316 59.574 56.287 -0.049 0.000 0.935 247 K CB 0.016 32.492 32.500 -0.040 0.000 0.715 247 K HN -0.688 7.527 8.250 -0.058 0.000 0.439 248 L N -2.267 118.931 121.223 -0.041 0.000 2.093 248 L HA -0.258 4.073 4.340 -0.015 0.000 0.208 248 L C 2.050 178.905 176.870 -0.025 0.000 1.085 248 L CA 2.349 57.175 54.840 -0.023 0.000 0.755 248 L CB -0.109 41.944 42.059 -0.009 0.000 0.904 248 L HN -0.652 7.551 8.230 -0.043 0.000 0.435 249 I N -2.664 117.860 120.570 -0.076 0.000 2.226 249 I HA -0.402 3.737 4.170 -0.053 0.000 0.245 249 I C 1.721 177.802 176.117 -0.060 0.000 1.100 249 I CA 2.622 63.855 61.300 -0.112 0.000 1.374 249 I CB 0.078 37.887 38.000 -0.318 0.000 1.057 249 I HN -0.495 7.654 8.210 -0.101 0.000 0.413 250 R N -1.389 119.074 120.500 -0.062 0.000 2.066 250 R HA -0.186 4.132 4.340 -0.036 0.000 0.232 250 R C 0.852 177.141 176.300 -0.018 0.000 1.131 250 R CA 1.871 57.948 56.100 -0.039 0.000 0.955 250 R CB 0.355 30.631 30.300 -0.041 0.000 0.851 250 R HN -0.603 7.624 8.270 -0.072 0.000 0.432 251 D N 0.000 120.390 120.400 -0.016 0.000 6.856 251 D HA 0.000 4.636 4.640 -0.006 0.000 0.175 251 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 251 D CB 0.000 40.795 40.800 -0.007 0.000 0.688 251 D HN 0.000 8.357 8.370 -0.022 0.000 0.683