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 3lgv_1_B DATA FIRST_RESID 38 DATA SEQUENCE DSTDETPASY NLAVRRAAPA VVNVYNRGLN TNXXNQLEIR TLGSGVIMDQ DATA SEQUENCE RGYIITNKHV INDADQIIVA LQDGRVFEAL LVGSDSLTDL AVLKINATGG DATA SEQUENCE LPTIPINARR VPHIGDVVLA IGNPYNLGQT ITQGIISATG RIGLNPTGRQ DATA SEQUENCE NFLQTDASIN PGNSGGALVN SLGELMGINT LSFDXXXXXX TPEGIGFAIP DATA SEQUENCE FQLATKIMDK LIRD 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 38 D HA 0.000 4.637 4.640 -0.004 0.000 0.175 38 D C 0.000 176.297 176.300 -0.005 0.000 2.045 38 D CA 0.000 53.997 54.000 -0.004 0.000 0.868 38 D CB 0.000 40.798 40.800 -0.004 0.000 0.688 39 S N -0.325 115.372 115.700 -0.006 0.000 2.603 39 S HA -0.043 4.613 4.470 -0.008 -0.190 0.220 39 S C 1.284 175.879 174.600 -0.008 0.000 0.967 39 S CA 0.182 58.377 58.200 -0.008 0.000 0.920 39 S CB 0.196 63.390 63.200 -0.009 0.000 0.773 39 S HN 0.205 8.512 8.310 -0.006 0.000 0.529 40 T N 1.987 116.537 114.554 -0.007 0.000 2.869 40 T HA -0.220 4.126 4.350 -0.007 0.000 0.270 40 T C 0.216 174.911 174.700 -0.007 0.000 1.082 40 T CA 2.198 64.294 62.100 -0.006 0.000 1.123 40 T CB -0.288 68.577 68.868 -0.005 0.000 0.856 40 T HN -0.032 8.115 8.240 -0.006 0.089 0.499 41 D N -1.501 118.895 120.400 -0.007 0.000 2.407 41 D HA 0.218 4.853 4.640 -0.007 0.000 0.208 41 D C -0.598 175.697 176.300 -0.009 0.000 1.083 41 D CA 0.228 54.224 54.000 -0.008 0.000 0.844 41 D CB 1.081 41.877 40.800 -0.006 0.000 0.967 41 D HN 0.109 8.427 8.370 -0.007 0.048 0.506 42 E N 0.063 120.256 120.200 -0.011 0.000 2.391 42 E HA 0.084 4.426 4.350 -0.013 0.000 0.255 42 E C -0.508 176.082 176.600 -0.017 0.000 1.187 42 E CA 0.266 56.658 56.400 -0.013 0.000 0.941 42 E CB 0.716 30.408 29.700 -0.014 0.000 1.010 42 E HN -0.573 7.666 8.360 -0.010 0.114 0.458 43 T N 3.146 117.688 114.554 -0.021 0.000 2.786 43 T HA 0.283 4.618 4.350 -0.025 0.000 0.283 43 T C -2.243 172.435 174.700 -0.037 0.000 0.992 43 T CA -2.336 59.747 62.100 -0.027 0.000 0.954 43 T CB 0.529 69.381 68.868 -0.028 0.000 0.934 43 T HN -0.066 8.161 8.240 -0.022 0.000 0.440 44 P HA 0.031 4.423 4.420 -0.046 0.000 0.267 44 P C -0.723 176.529 177.300 -0.080 0.000 1.205 44 P CA -0.489 62.580 63.100 -0.051 0.000 0.765 44 P CB 0.268 31.942 31.700 -0.043 0.000 0.828 45 A N 2.958 125.719 122.820 -0.098 0.000 2.546 45 A HA -0.043 4.179 4.320 -0.164 0.000 0.243 45 A C -0.393 177.051 177.584 -0.235 0.000 1.063 45 A CA 0.559 52.498 52.037 -0.165 0.000 0.757 45 A CB 0.200 19.107 19.000 -0.156 0.000 0.991 45 A HN 0.020 8.121 8.150 -0.082 0.000 0.503 46 S N 2.326 117.823 115.700 -0.338 0.000 2.535 46 S HA 0.080 4.358 4.470 -0.320 0.000 0.272 46 S C -0.923 173.421 174.600 -0.426 0.000 1.149 46 S CA -0.175 57.831 58.200 -0.323 0.000 0.888 46 S CB 0.859 63.977 63.200 -0.136 0.000 1.110 46 S HN -0.180 7.918 8.310 -0.353 0.000 0.463 47 Y N 3.288 123.590 120.300 0.002 0.000 2.683 47 Y HA 0.142 4.693 4.550 0.001 0.000 0.297 47 Y C 0.152 176.052 175.900 0.001 0.000 1.147 47 Y CA -0.794 57.307 58.100 0.001 0.000 1.274 47 Y CB -0.439 38.022 38.460 0.002 0.000 1.143 47 Y HN 0.277 8.485 8.280 -0.120 0.000 0.527 48 N N 1.546 120.288 118.700 0.070 0.000 2.244 48 N HA -0.311 4.466 4.740 0.062 0.000 0.183 48 N C 1.109 176.648 175.510 0.049 0.000 1.016 48 N CA 3.165 56.245 53.050 0.051 0.000 0.866 48 N CB 0.283 38.780 38.487 0.018 0.000 0.980 48 N HN -0.525 7.784 8.380 0.013 0.079 0.430 49 L N -0.838 120.414 121.223 0.048 0.000 2.083 49 L HA -0.227 4.130 4.340 0.029 0.000 0.209 49 L C 0.849 177.747 176.870 0.047 0.000 1.083 49 L CA 2.795 57.660 54.840 0.040 0.000 0.752 49 L CB -0.217 41.864 42.059 0.036 0.000 0.899 49 L HN -0.099 8.144 8.230 0.046 0.014 0.433 50 A N -1.857 121.007 122.820 0.073 0.000 1.929 50 A HA -0.354 3.987 4.320 0.035 0.000 0.216 50 A C 1.913 179.519 177.584 0.038 0.000 1.176 50 A CA 2.877 54.946 52.037 0.053 0.000 0.628 50 A CB -0.726 18.313 19.000 0.065 0.000 0.816 50 A HN -0.705 7.502 8.150 0.106 0.007 0.444 51 V N -1.233 118.711 119.914 0.050 0.000 2.358 51 V HA -0.580 3.559 4.120 0.030 0.000 0.246 51 V C 2.428 178.538 176.094 0.027 0.000 1.047 51 V CA 4.162 66.484 62.300 0.037 0.000 1.035 51 V CB -0.307 31.543 31.823 0.045 0.000 0.658 51 V HN -0.670 7.472 8.190 0.068 0.089 0.452 52 R N -1.346 119.170 120.500 0.027 0.000 2.148 52 R HA -0.257 4.095 4.340 0.020 0.000 0.227 52 R C 1.954 178.263 176.300 0.016 0.000 1.103 52 R CA 3.149 59.261 56.100 0.020 0.000 0.983 52 R CB -0.226 30.086 30.300 0.019 0.000 0.874 52 R HN -0.285 8.004 8.270 0.031 0.000 0.451 53 R N -3.245 117.263 120.500 0.014 0.000 2.080 53 R HA -0.091 4.253 4.340 0.007 0.000 0.222 53 R C 0.746 177.048 176.300 0.003 0.000 1.107 53 R CA 2.568 58.672 56.100 0.007 0.000 0.980 53 R CB 0.475 30.776 30.300 0.003 0.000 0.879 53 R HN -0.651 7.507 8.270 0.017 0.123 0.439 54 A N -3.012 119.809 122.820 0.002 0.000 1.944 54 A HA 0.194 4.510 4.320 -0.007 0.000 0.207 54 A C 1.267 178.855 177.584 0.006 0.000 1.265 54 A CA 1.337 53.373 52.037 -0.003 0.000 0.712 54 A CB 0.478 19.471 19.000 -0.012 0.000 0.915 54 A HN -0.437 7.717 8.150 0.006 0.000 0.470 55 A N 0.070 122.897 122.820 0.011 0.000 1.915 55 A HA -0.212 4.116 4.320 0.013 0.000 0.220 55 A C -1.116 176.479 177.584 0.019 0.000 1.198 55 A CA 4.373 56.419 52.037 0.015 0.000 0.647 55 A CB -2.520 16.491 19.000 0.019 0.000 0.825 55 A HN -0.155 8.002 8.150 0.012 0.000 0.456 56 P HA -0.218 4.220 4.420 0.030 0.000 0.226 56 P C -0.386 176.932 177.300 0.031 0.000 1.146 56 P CA 1.550 64.666 63.100 0.027 0.000 0.773 56 P CB -0.499 31.216 31.700 0.025 0.000 0.772 57 A N -5.396 117.438 122.820 0.024 0.000 2.267 57 A HA 0.265 4.604 4.320 0.032 0.000 0.213 57 A C -1.332 176.268 177.584 0.026 0.000 1.192 57 A CA -0.804 51.249 52.037 0.026 0.000 0.851 57 A CB 1.352 20.363 19.000 0.018 0.000 0.881 57 A HN -0.366 7.742 8.150 0.019 0.053 0.494 58 V N 0.388 120.315 119.914 0.022 0.000 2.408 58 V HA 0.208 4.509 4.120 0.017 -0.171 0.267 58 V C -0.096 176.010 176.094 0.021 0.000 1.047 58 V CA 0.555 62.865 62.300 0.017 0.000 0.937 58 V CB 0.209 32.038 31.823 0.010 0.000 0.999 58 V HN -0.636 7.461 8.190 0.020 0.105 0.472 59 V N 1.974 121.900 119.914 0.020 0.000 2.975 59 V HA 0.394 4.608 4.120 0.037 -0.072 0.318 59 V C -1.069 175.013 176.094 -0.019 0.000 1.077 59 V CA -3.095 59.220 62.300 0.025 0.000 1.000 59 V CB 2.609 34.464 31.823 0.052 0.000 1.066 59 V HN 0.268 8.362 8.190 0.017 0.107 0.452 60 N N 1.414 120.095 118.700 -0.032 0.000 2.419 60 N HA 0.230 4.847 4.740 -0.204 0.000 0.264 60 N C -0.692 174.653 175.510 -0.275 0.000 1.031 60 N CA -1.022 51.918 53.050 -0.182 0.000 0.951 60 N CB 0.724 39.121 38.487 -0.151 0.000 1.101 60 N HN -0.027 8.363 8.380 0.017 0.000 0.488 61 V N 3.673 123.373 119.914 -0.358 0.000 2.427 61 V HA 0.363 4.557 4.120 -0.118 -0.145 0.286 61 V C -1.170 174.662 176.094 -0.436 0.000 1.034 61 V CA -0.629 61.521 62.300 -0.249 0.000 0.893 61 V CB 1.654 33.415 31.823 -0.104 0.000 0.982 61 V HN 0.114 8.101 8.190 -0.338 0.000 0.452 62 Y N 5.250 125.567 120.300 0.029 0.000 2.350 62 Y HA 0.205 4.769 4.550 0.022 0.000 0.338 62 Y C -1.567 174.348 175.900 0.025 0.000 0.961 62 Y CA -1.377 56.737 58.100 0.024 0.000 1.100 62 Y CB 3.079 41.551 38.460 0.021 0.000 1.179 62 Y HN 0.767 9.118 8.280 0.119 0.000 0.454 63 N N 3.813 122.608 118.700 0.159 0.000 2.437 63 N HA 0.263 5.059 4.740 0.094 0.000 0.259 63 N C -1.457 174.113 175.510 0.101 0.000 0.983 63 N CA -0.959 52.153 53.050 0.104 0.000 0.937 63 N CB 1.601 40.130 38.487 0.069 0.000 1.122 63 N HN 0.255 8.725 8.380 0.150 0.000 0.499 64 R N 5.966 126.514 120.500 0.081 0.000 2.393 64 R HA 0.747 5.299 4.340 0.059 -0.177 0.310 64 R C -0.480 175.845 176.300 0.042 0.000 0.968 64 R CA -1.204 54.930 56.100 0.057 0.000 0.867 64 R CB 3.233 33.559 30.300 0.044 0.000 1.124 64 R HN 0.011 8.327 8.270 0.077 0.000 0.450 65 G N 1.810 110.631 108.800 0.035 0.000 2.671 65 G HA2 0.295 4.370 3.960 0.028 0.000 0.275 65 G HA3 0.295 4.271 3.960 0.027 0.000 0.275 65 G C -2.668 172.244 174.900 0.020 0.000 1.368 65 G CA -1.730 43.387 45.100 0.027 0.000 1.044 65 G HN 0.211 8.522 8.290 0.035 0.000 0.543 66 L N -1.544 119.689 121.223 0.017 0.000 2.376 66 L HA 0.255 4.737 4.340 0.011 -0.136 0.275 66 L C -0.263 176.613 176.870 0.011 0.000 0.987 66 L CA -1.125 53.722 54.840 0.013 0.000 0.828 66 L CB 2.035 44.101 42.059 0.012 0.000 1.249 66 L HN 0.121 8.362 8.230 0.017 0.000 0.409 67 N N 4.370 123.075 118.700 0.009 0.000 2.508 67 N HA 0.063 4.935 4.740 0.009 -0.126 0.264 67 N C 0.554 176.068 175.510 0.007 0.000 1.216 67 N CA -0.338 52.717 53.050 0.008 0.000 0.943 67 N CB 0.710 39.201 38.487 0.006 0.000 1.113 67 N HN -0.159 8.225 8.380 0.008 0.000 0.447 68 T N -2.114 112.444 114.554 0.007 0.000 2.759 68 T HA -0.379 3.974 4.350 0.006 0.000 0.269 68 T C 0.645 175.348 174.700 0.004 0.000 1.042 68 T CA 1.488 63.592 62.100 0.006 0.000 1.140 68 T CB 0.456 69.327 68.868 0.006 0.000 0.864 68 T HN 0.280 8.525 8.240 0.007 0.000 0.455 73 Q N 2.999 122.799 119.800 0.001 0.000 2.368 73 Q HA 0.137 4.475 4.340 -0.002 0.000 0.237 73 Q C -1.380 174.620 176.000 0.001 0.000 0.987 73 Q CA -0.081 55.722 55.803 -0.001 0.000 0.896 73 Q CB 1.251 29.987 28.738 -0.003 0.000 1.241 73 Q HN -0.061 8.209 8.270 0.001 0.000 0.485 74 L N 1.218 122.440 121.223 -0.001 0.000 2.307 74 L HA 0.338 4.819 4.340 0.006 -0.138 0.284 74 L C -0.433 176.437 176.870 -0.001 0.000 1.023 74 L CA -0.585 54.256 54.840 0.002 0.000 0.810 74 L CB 0.926 42.987 42.059 0.003 0.000 1.231 74 L HN 0.315 8.543 8.230 -0.005 0.000 0.423 75 E N 3.806 124.010 120.200 0.007 0.000 2.264 75 E HA 0.287 4.637 4.350 -0.000 0.000 0.260 75 E C -1.293 175.320 176.600 0.021 0.000 0.961 75 E CA -2.372 54.033 56.400 0.008 0.000 0.834 75 E CB 2.826 32.533 29.700 0.012 0.000 1.230 75 E HN -0.010 8.357 8.360 0.011 0.000 0.412 76 I N 0.964 121.550 120.570 0.027 0.000 2.322 76 I HA -0.043 4.297 4.170 0.070 -0.129 0.292 76 I C 0.305 176.460 176.117 0.063 0.000 1.060 76 I CA 0.611 61.947 61.300 0.059 0.000 1.309 76 I CB -0.188 37.858 38.000 0.077 0.000 1.415 76 I HN 0.463 8.685 8.210 0.020 0.000 0.492 77 R N 8.403 128.941 120.500 0.064 0.000 2.052 77 R HA -0.060 4.307 4.340 0.045 0.000 0.224 77 R C 0.614 176.949 176.300 0.058 0.000 1.165 77 R CA 1.917 58.049 56.100 0.053 0.000 0.939 77 R CB 0.825 31.154 30.300 0.047 0.000 0.834 77 R HN 0.406 8.716 8.270 0.067 0.000 0.435 78 T N -1.334 113.260 114.554 0.065 0.000 2.901 78 T HA 0.379 4.757 4.350 0.047 0.000 0.293 78 T C -2.437 172.298 174.700 0.058 0.000 1.084 78 T CA -1.208 60.923 62.100 0.052 0.000 1.008 78 T CB 2.594 71.486 68.868 0.040 0.000 1.170 78 T HN -0.556 7.726 8.240 0.071 0.000 0.509 79 L N -2.523 118.710 121.223 0.016 0.000 2.466 79 L HA 0.817 5.224 4.340 -0.075 -0.111 0.258 79 L C -1.496 175.314 176.870 -0.100 0.000 0.973 79 L CA -1.117 53.688 54.840 -0.058 0.000 0.826 79 L CB 3.405 45.435 42.059 -0.047 0.000 1.372 79 L HN 0.096 8.329 8.230 0.005 0.000 0.409 80 G N -0.674 108.033 108.800 -0.155 0.000 2.947 80 G HA2 0.558 4.567 3.960 -0.112 0.000 0.293 80 G HA3 0.558 4.469 3.960 -0.081 0.000 0.293 80 G C -1.983 172.827 174.900 -0.150 0.000 1.243 80 G CA 0.044 45.071 45.100 -0.120 0.000 0.802 80 G HN 0.006 8.170 8.290 -0.210 0.000 0.560 81 S N -0.668 114.977 115.700 -0.091 0.000 2.726 81 S HA 1.026 5.564 4.470 -0.102 -0.129 0.308 81 S C -0.724 173.852 174.600 -0.040 0.000 1.115 81 S CA -1.945 56.210 58.200 -0.074 0.000 0.965 81 S CB 3.464 66.634 63.200 -0.049 0.000 1.145 81 S HN 0.403 8.674 8.310 -0.065 0.000 0.532 82 G N -2.253 106.534 108.800 -0.022 0.000 2.649 82 G HA2 0.810 5.055 3.960 0.010 0.000 0.290 82 G HA3 0.810 4.773 3.960 0.005 0.000 0.290 82 G C -3.010 171.899 174.900 0.015 0.000 1.426 82 G CA -0.055 45.047 45.100 0.003 0.000 0.794 82 G HN -0.122 8.154 8.290 -0.023 0.000 0.483 83 V N -0.818 119.113 119.914 0.027 0.000 2.733 83 V HA 0.433 4.738 4.120 0.026 -0.169 0.306 83 V C -1.420 174.697 176.094 0.039 0.000 1.084 83 V CA -1.399 60.919 62.300 0.030 0.000 0.905 83 V CB 4.383 36.224 31.823 0.031 0.000 1.010 83 V HN -0.065 8.144 8.190 0.032 0.000 0.424 84 I N 6.374 126.965 120.570 0.035 0.000 2.337 84 I HA 0.129 4.486 4.170 0.043 -0.161 0.291 84 I C 0.252 176.394 176.117 0.041 0.000 1.046 84 I CA 0.284 61.606 61.300 0.037 0.000 1.324 84 I CB 0.291 38.306 38.000 0.025 0.000 1.409 84 I HN 0.193 8.422 8.210 0.031 0.000 0.494 85 M N 6.180 125.817 119.600 0.062 0.000 2.357 85 M HA 0.022 4.529 4.480 0.045 0.000 0.266 85 M C 0.008 176.341 176.300 0.056 0.000 1.095 85 M CA -0.001 55.334 55.300 0.059 0.000 1.156 85 M CB 0.302 32.943 32.600 0.069 0.000 1.365 85 M HN 0.092 8.430 8.290 0.080 0.000 0.447 86 D N -6.041 114.405 120.400 0.076 0.000 2.626 86 D HA 0.165 4.831 4.640 0.044 0.000 0.278 86 D C 0.161 176.490 176.300 0.048 0.000 1.211 86 D CA -1.441 52.598 54.000 0.065 0.000 0.903 86 D CB 0.874 41.724 40.800 0.083 0.000 1.408 86 D HN -0.808 7.620 8.370 0.097 0.000 0.454 87 Q N -2.588 117.230 119.800 0.030 0.000 2.234 87 Q HA -0.288 4.045 4.340 -0.010 0.000 0.206 87 Q C 1.184 177.171 176.000 -0.022 0.000 0.980 87 Q CA 2.453 58.257 55.803 0.001 0.000 0.869 87 Q CB -0.166 28.574 28.738 0.004 0.000 0.912 87 Q HN 0.449 8.739 8.270 0.033 0.000 0.436 88 R N -3.339 117.169 120.500 0.013 0.000 2.152 88 R HA -0.235 4.076 4.340 -0.048 0.000 0.232 88 R C 0.680 176.856 176.300 -0.206 0.000 1.117 88 R CA 1.098 57.176 56.100 -0.036 0.000 0.981 88 R CB 0.606 30.978 30.300 0.120 0.000 0.870 88 R HN -0.556 7.869 8.270 0.064 -0.117 0.451 89 G N -4.959 103.736 108.800 -0.176 0.000 2.143 89 G HA2 -0.332 3.515 3.960 -0.189 0.000 0.175 89 G HA3 -0.332 3.432 3.960 -0.327 0.000 0.175 89 G C -0.742 173.985 174.900 -0.287 0.000 1.004 89 G CA -0.491 44.454 45.100 -0.258 0.000 0.671 89 G HN -0.458 7.890 8.290 -0.067 -0.097 0.512 90 Y N 0.381 120.656 120.300 -0.041 0.000 2.309 90 Y HA 0.219 4.930 4.550 -0.027 -0.177 0.327 90 Y C -0.776 175.114 175.900 -0.017 0.000 1.172 90 Y CA 1.034 59.118 58.100 -0.026 0.000 1.280 90 Y CB 1.282 39.733 38.460 -0.016 0.000 1.234 90 Y HN -1.077 7.398 8.280 0.055 -0.162 0.512 91 I N 0.671 121.329 120.570 0.147 0.000 2.534 91 I HA 0.596 5.025 4.170 0.077 -0.213 0.288 91 I C -0.916 175.250 176.117 0.082 0.000 1.077 91 I CA -1.403 59.948 61.300 0.084 0.000 1.051 91 I CB 3.722 41.750 38.000 0.046 0.000 1.234 91 I HN 0.245 8.557 8.210 0.171 0.000 0.425 92 I N 7.153 127.762 120.570 0.066 0.000 2.532 92 I HA 0.661 5.037 4.170 0.054 -0.174 0.292 92 I C -0.533 175.609 176.117 0.042 0.000 1.014 92 I CA -0.471 60.861 61.300 0.053 0.000 1.340 92 I CB 1.617 39.647 38.000 0.050 0.000 1.422 92 I HN 0.147 8.395 8.210 0.063 0.000 0.528 93 T N 3.691 118.268 114.554 0.038 0.000 2.711 93 T HA 0.249 4.617 4.350 0.030 0.000 0.302 93 T C -2.460 172.260 174.700 0.034 0.000 1.373 93 T CA -2.386 59.732 62.100 0.031 0.000 1.000 93 T CB 1.859 70.740 68.868 0.022 0.000 1.483 93 T HN 0.202 8.465 8.240 0.037 0.000 0.499 94 N N -0.062 118.661 118.700 0.038 0.000 2.529 94 N HA 0.038 4.958 4.740 0.059 -0.145 0.278 94 N C 0.967 176.493 175.510 0.026 0.000 1.146 94 N CA -0.018 53.065 53.050 0.055 0.000 0.980 94 N CB 0.820 39.362 38.487 0.091 0.000 1.124 94 N HN 0.248 8.647 8.380 0.033 0.000 0.458 95 K N 5.554 125.940 120.400 -0.024 0.000 2.057 95 K HA -0.371 3.911 4.320 -0.062 0.000 0.207 95 K C 1.638 178.175 176.600 -0.105 0.000 1.049 95 K CA 3.511 59.735 56.287 -0.105 0.000 0.931 95 K CB 0.230 32.605 32.500 -0.209 0.000 0.714 95 K HN -0.206 8.030 8.250 -0.024 0.000 0.440 96 H N -2.518 116.561 119.070 0.014 0.000 2.456 96 H HA -0.228 4.335 4.556 0.011 0.000 0.296 96 H C 2.055 177.387 175.328 0.006 0.000 1.079 96 H CA 3.234 59.288 56.048 0.010 0.000 1.322 96 H CB -0.132 29.634 29.762 0.008 0.000 1.388 96 H HN -0.395 7.850 8.280 -0.058 0.000 0.538 97 V N -3.276 116.704 119.914 0.110 0.000 2.453 97 V HA -0.337 3.818 4.120 0.059 0.000 0.247 97 V C 0.480 176.599 176.094 0.042 0.000 1.048 97 V CA 2.807 65.142 62.300 0.058 0.000 1.049 97 V CB 0.388 32.228 31.823 0.028 0.000 0.672 97 V HN -0.706 7.521 8.190 0.103 0.026 0.457 98 I N -8.989 111.600 120.570 0.031 0.000 3.783 98 I HA 0.031 4.221 4.170 0.033 0.000 0.310 98 I C -0.421 175.709 176.117 0.021 0.000 1.274 98 I CA -1.188 60.128 61.300 0.026 0.000 1.294 98 I CB 0.293 38.305 38.000 0.020 0.000 1.051 98 I HN -0.883 7.342 8.210 0.025 0.000 0.435 99 N N 2.407 121.115 118.700 0.015 0.000 2.293 99 N HA -0.226 4.515 4.740 0.000 0.000 0.253 99 N C -0.775 174.748 175.510 0.023 0.000 1.248 99 N CA 1.552 54.608 53.050 0.010 0.000 0.845 99 N CB 0.007 38.498 38.487 0.007 0.000 1.073 99 N HN -0.581 7.807 8.380 0.013 0.000 0.464 100 D N -3.966 116.444 120.400 0.018 0.000 2.697 100 D HA -0.367 4.283 4.640 0.018 0.000 0.238 100 D C -1.787 174.528 176.300 0.026 0.000 1.152 100 D CA 1.301 55.313 54.000 0.021 0.000 0.666 100 D CB -1.634 39.180 40.800 0.023 0.000 1.037 100 D HN 0.340 8.717 8.370 0.013 0.000 0.423 101 A N -2.985 119.851 122.820 0.026 0.000 2.287 101 A HA 0.152 4.597 4.320 0.035 -0.104 0.317 101 A C -0.996 176.605 177.584 0.029 0.000 1.220 101 A CA -1.386 50.670 52.037 0.032 0.000 0.835 101 A CB 2.010 21.033 19.000 0.038 0.000 1.180 101 A HN -0.541 7.623 8.150 0.023 0.000 0.500 102 D N 2.893 123.310 120.400 0.028 0.000 2.123 102 D HA -0.141 4.512 4.640 0.022 0.000 0.200 102 D C 0.345 176.661 176.300 0.028 0.000 0.976 102 D CA 2.270 56.284 54.000 0.024 0.000 0.831 102 D CB 0.910 41.722 40.800 0.021 0.000 0.974 102 D HN 0.045 8.433 8.370 0.030 0.000 0.469 103 Q N -1.592 118.228 119.800 0.035 0.000 2.271 103 Q HA 0.258 4.620 4.340 0.037 0.000 0.268 103 Q C -2.336 173.698 176.000 0.056 0.000 1.021 103 Q CA -0.425 55.401 55.803 0.040 0.000 0.802 103 Q CB 3.251 32.010 28.738 0.034 0.000 1.282 103 Q HN -0.820 7.472 8.270 0.037 0.000 0.431 104 I N 6.934 127.540 120.570 0.060 0.000 2.321 104 I HA 0.466 4.850 4.170 0.087 -0.161 0.291 104 I C -1.145 175.031 176.117 0.099 0.000 0.998 104 I CA -0.754 60.592 61.300 0.077 0.000 1.227 104 I CB 1.158 39.195 38.000 0.062 0.000 1.368 104 I HN 0.615 8.857 8.210 0.053 0.000 0.466 105 I N 7.575 128.230 120.570 0.142 0.000 2.441 105 I HA 0.461 4.842 4.170 0.139 -0.127 0.295 105 I C -1.504 174.747 176.117 0.223 0.000 0.994 105 I CA -1.308 60.094 61.300 0.171 0.000 1.144 105 I CB 3.233 41.326 38.000 0.155 0.000 1.314 105 I HN 0.369 8.680 8.210 0.167 0.000 0.445 106 V N 6.626 126.662 119.914 0.203 0.000 2.444 106 V HA 0.580 4.969 4.120 0.167 -0.170 0.294 106 V C -2.209 174.010 176.094 0.208 0.000 1.022 106 V CA -1.928 60.490 62.300 0.195 0.000 0.850 106 V CB 3.410 35.341 31.823 0.180 0.000 0.992 106 V HN 0.305 8.612 8.190 0.194 0.000 0.426 107 A N 7.537 130.477 122.820 0.200 0.000 2.304 107 A HA 0.761 5.289 4.320 0.102 -0.146 0.314 107 A C -1.567 176.089 177.584 0.120 0.000 1.187 107 A CA -2.195 49.937 52.037 0.158 0.000 0.810 107 A CB 2.485 21.628 19.000 0.239 0.000 1.183 107 A HN 0.694 8.955 8.150 0.186 0.000 0.487 108 L N 3.137 124.423 121.223 0.104 0.000 2.456 108 L HA 0.090 4.487 4.340 0.095 0.000 0.257 108 L C 1.849 178.756 176.870 0.062 0.000 1.162 108 L CA -0.378 54.520 54.840 0.096 0.000 0.808 108 L CB 0.977 43.114 42.059 0.130 0.000 1.136 108 L HN -0.061 8.221 8.230 0.086 0.000 0.466 109 Q N 1.517 121.350 119.800 0.054 0.000 2.378 109 Q HA -0.235 4.131 4.340 0.042 0.000 0.205 109 Q C 0.369 176.389 176.000 0.033 0.000 0.954 109 Q CA 2.483 58.310 55.803 0.041 0.000 0.901 109 Q CB -0.537 28.223 28.738 0.037 0.000 0.981 109 Q HN 0.836 9.140 8.270 0.057 0.000 0.483 110 D N -4.836 115.585 120.400 0.035 0.000 2.340 110 D HA -0.054 4.599 4.640 0.022 0.000 0.220 110 D C 0.711 177.016 176.300 0.007 0.000 1.039 110 D CA -0.560 53.455 54.000 0.025 0.000 0.866 110 D CB -1.025 39.796 40.800 0.035 0.000 0.913 110 D HN -0.501 7.861 8.370 0.045 0.035 0.523 111 G N -0.375 108.424 108.800 -0.001 0.000 2.195 111 G HA2 -0.447 3.502 3.960 -0.018 0.000 0.224 111 G HA3 -0.447 3.497 3.960 -0.026 0.000 0.224 111 G C -0.394 174.459 174.900 -0.078 0.000 0.990 111 G CA -0.201 44.883 45.100 -0.027 0.000 0.639 111 G HN -0.572 7.668 8.290 0.010 0.056 0.514 112 R N 0.703 121.140 120.500 -0.105 0.000 2.539 112 R HA 0.044 4.204 4.340 -0.299 0.000 0.275 112 R C -1.318 174.758 176.300 -0.372 0.000 1.077 112 R CA 0.235 56.160 56.100 -0.291 0.000 1.097 112 R CB 1.282 31.392 30.300 -0.317 0.000 1.018 112 R HN -0.395 8.066 8.270 -0.055 -0.224 0.483 113 V N 1.740 121.319 119.914 -0.560 0.000 2.577 113 V HA 0.642 4.795 4.120 -0.225 -0.168 0.303 113 V C -0.479 175.284 176.094 -0.553 0.000 1.042 113 V CA -1.317 60.756 62.300 -0.377 0.000 0.872 113 V CB 2.293 34.008 31.823 -0.179 0.000 0.998 113 V HN 0.059 7.876 8.190 -0.623 0.000 0.423 114 F N 6.881 126.847 119.950 0.027 0.000 2.598 114 F HA 0.413 4.945 4.527 0.009 0.000 0.327 114 F C -1.559 174.254 175.800 0.022 0.000 1.057 114 F CA -1.474 56.536 58.000 0.016 0.000 0.957 114 F CB 4.007 43.011 39.000 0.007 0.000 1.278 114 F HN 0.588 8.935 8.300 0.078 0.000 0.484 115 E N 0.846 121.178 120.200 0.219 0.000 2.197 115 E HA 0.361 4.905 4.350 0.119 -0.123 0.281 115 E C -1.184 175.482 176.600 0.110 0.000 0.995 115 E CA -1.143 55.335 56.400 0.130 0.000 0.808 115 E CB 1.884 31.634 29.700 0.083 0.000 1.093 115 E HN 0.257 8.756 8.360 0.231 0.000 0.394 116 A N 6.186 129.057 122.820 0.085 0.000 2.324 116 A HA 0.690 5.192 4.320 0.028 -0.166 0.330 116 A C -2.051 175.552 177.584 0.031 0.000 1.165 116 A CA -1.525 50.541 52.037 0.048 0.000 0.813 116 A CB 2.457 21.490 19.000 0.055 0.000 1.197 116 A HN 0.368 8.570 8.150 0.087 0.000 0.484 117 L N 1.525 122.754 121.223 0.009 0.000 2.307 117 L HA 0.395 4.746 4.340 0.019 0.000 0.282 117 L C -1.525 175.358 176.870 0.022 0.000 1.051 117 L CA -1.105 53.742 54.840 0.012 0.000 0.804 117 L CB 3.235 45.293 42.059 -0.002 0.000 1.197 117 L HN 0.059 8.284 8.230 -0.009 0.000 0.431 118 L N 5.681 126.920 121.223 0.027 0.000 2.325 118 L HA 0.033 4.394 4.340 0.035 0.000 0.284 118 L C -0.441 176.452 176.870 0.038 0.000 1.089 118 L CA 0.447 55.306 54.840 0.031 0.000 0.836 118 L CB -0.389 41.685 42.059 0.024 0.000 1.184 118 L HN 0.262 8.506 8.230 0.024 0.000 0.444 119 V N 7.565 127.513 119.914 0.057 0.000 2.488 119 V HA -0.116 4.047 4.120 0.072 0.000 0.246 119 V C 0.210 176.330 176.094 0.043 0.000 1.046 119 V CA 1.639 63.983 62.300 0.073 0.000 1.053 119 V CB 0.530 32.435 31.823 0.137 0.000 0.679 119 V HN 0.512 8.741 8.190 0.065 0.000 0.458 120 G N -3.243 105.575 108.800 0.030 0.000 2.343 120 G HA2 0.027 3.992 3.960 0.008 0.000 0.298 120 G HA3 0.027 3.992 3.960 0.008 0.000 0.298 120 G C -3.068 171.834 174.900 0.002 0.000 1.644 120 G CA -0.655 44.452 45.100 0.011 0.000 0.958 120 G HN -0.870 7.440 8.290 0.033 0.000 0.702 121 S N -0.445 115.249 115.700 -0.010 0.000 2.704 121 S HA 0.236 4.696 4.470 -0.016 0.000 0.305 121 S C -1.699 172.885 174.600 -0.027 0.000 1.107 121 S CA -1.699 56.489 58.200 -0.021 0.000 0.993 121 S CB 2.684 65.862 63.200 -0.036 0.000 1.110 121 S HN -0.003 8.300 8.310 -0.011 0.000 0.534 122 D N -0.059 120.322 120.400 -0.032 0.000 2.308 122 D HA 0.329 4.951 4.640 -0.030 0.000 0.242 122 D C 0.467 176.743 176.300 -0.040 0.000 1.059 122 D CA -1.565 52.415 54.000 -0.032 0.000 0.830 122 D CB 2.316 43.099 40.800 -0.028 0.000 1.161 122 D HN -0.437 7.913 8.370 -0.033 0.000 0.494 123 S N 5.901 121.579 115.700 -0.036 0.000 2.489 123 S HA -0.102 4.339 4.470 -0.049 0.000 0.228 123 S C 0.944 175.531 174.600 -0.023 0.000 0.995 123 S CA 2.080 60.258 58.200 -0.035 0.000 0.934 123 S CB 0.216 63.400 63.200 -0.027 0.000 0.771 123 S HN 0.347 8.638 8.310 -0.032 0.000 0.522 124 L N -0.106 121.102 121.223 -0.024 0.000 2.298 124 L HA 0.148 4.477 4.340 -0.018 0.000 0.209 124 L C 0.588 177.445 176.870 -0.022 0.000 1.084 124 L CA 2.054 56.880 54.840 -0.024 0.000 0.816 124 L CB 0.714 42.752 42.059 -0.035 0.000 0.967 124 L HN -0.565 7.877 8.230 -0.028 -0.229 0.460 125 T N -8.788 105.755 114.554 -0.019 0.000 3.043 125 T HA 0.021 4.362 4.350 -0.016 0.000 0.272 125 T C -0.549 174.175 174.700 0.039 0.000 0.990 125 T CA -1.234 60.861 62.100 -0.009 0.000 0.897 125 T CB 1.238 70.083 68.868 -0.038 0.000 1.111 125 T HN -0.664 7.654 8.240 -0.021 -0.091 0.529 126 D N -0.607 119.807 120.400 0.023 0.000 3.079 126 D HA -0.375 4.239 4.640 -0.043 0.000 0.214 126 D C -1.518 174.797 176.300 0.024 0.000 1.145 126 D CA 1.713 55.729 54.000 0.026 0.000 0.958 126 D CB -1.023 39.860 40.800 0.139 0.000 1.117 126 D HN -0.408 7.961 8.370 -0.001 0.000 0.416 127 L N -2.207 119.025 121.223 0.015 0.000 2.488 127 L HA 0.401 4.867 4.340 0.034 -0.106 0.249 127 L C -1.123 175.746 176.870 -0.001 0.000 1.151 127 L CA -0.298 54.553 54.840 0.018 0.000 0.806 127 L CB 1.852 43.922 42.059 0.018 0.000 1.261 127 L HN -0.973 7.206 8.230 0.008 0.055 0.484 128 A N -3.934 118.892 122.820 0.010 0.000 2.594 128 A HA 0.461 4.906 4.320 0.002 -0.124 0.296 128 A C -2.585 175.015 177.584 0.026 0.000 1.061 128 A CA -0.308 51.734 52.037 0.008 0.000 0.689 128 A CB 3.357 22.359 19.000 0.002 0.000 1.280 128 A HN -0.089 8.073 8.150 0.019 0.000 0.406 129 V N 1.608 121.543 119.914 0.036 0.000 2.487 129 V HA 0.723 5.070 4.120 0.072 -0.184 0.298 129 V C -1.241 174.907 176.094 0.090 0.000 1.028 129 V CA -1.609 60.732 62.300 0.069 0.000 0.860 129 V CB 2.222 34.085 31.823 0.067 0.000 0.991 129 V HN -0.219 7.989 8.190 0.030 0.000 0.427 130 L N 5.997 127.277 121.223 0.094 0.000 2.331 130 L HA 0.908 5.445 4.340 0.060 -0.161 0.268 130 L C -1.157 175.747 176.870 0.055 0.000 1.015 130 L CA -1.944 52.936 54.840 0.067 0.000 0.807 130 L CB 2.686 44.770 42.059 0.042 0.000 1.293 130 L HN 0.798 9.085 8.230 0.093 0.000 0.451 131 K N -0.338 120.046 120.400 -0.027 0.000 2.469 131 K HA 0.673 5.007 4.320 -0.268 -0.175 0.254 131 K C -1.665 174.837 176.600 -0.163 0.000 0.939 131 K CA -1.705 54.474 56.287 -0.181 0.000 0.812 131 K CB 3.636 35.998 32.500 -0.231 0.000 1.301 131 K HN 0.029 8.270 8.250 -0.015 0.000 0.433 132 I N -1.422 119.000 120.570 -0.247 0.000 2.828 132 I HA 0.508 4.577 4.170 -0.169 0.000 0.302 132 I C -2.279 173.643 176.117 -0.325 0.000 1.101 132 I CA -1.618 59.528 61.300 -0.257 0.000 1.031 132 I CB 3.679 41.474 38.000 -0.341 0.000 1.231 132 I HN -0.229 7.792 8.210 -0.315 0.000 0.427 133 N N 3.683 122.214 118.700 -0.281 0.000 2.699 133 N HA 0.205 4.805 4.740 -0.233 0.000 0.232 133 N C -1.298 174.045 175.510 -0.279 0.000 1.027 133 N CA -0.395 52.518 53.050 -0.228 0.000 0.920 133 N CB -0.047 38.376 38.487 -0.107 0.000 1.148 133 N HN 0.329 8.577 8.380 -0.219 0.000 0.509 134 A N 3.247 125.845 122.820 -0.371 0.000 2.311 134 A HA 0.389 4.588 4.320 -0.202 0.000 0.334 134 A C -0.142 177.388 177.584 -0.090 0.000 1.139 134 A CA -0.883 50.969 52.037 -0.308 0.000 0.830 134 A CB 1.657 20.348 19.000 -0.514 0.000 1.234 134 A HN -0.038 7.898 8.150 -0.356 0.000 0.483 135 T N -1.396 113.170 114.554 0.020 0.000 3.004 135 T HA -0.038 4.312 4.350 0.000 0.000 0.243 135 T C 1.019 175.732 174.700 0.022 0.000 1.020 135 T CA 0.349 62.463 62.100 0.023 0.000 1.145 135 T CB 0.289 69.186 68.868 0.049 0.000 0.876 135 T HN 0.037 8.332 8.240 0.091 0.000 0.449 136 G N 0.735 109.564 108.800 0.049 0.000 2.985 136 G HA2 0.013 3.993 3.960 0.032 0.000 0.209 136 G HA3 0.013 4.007 3.960 0.057 0.000 0.209 136 G C -0.730 174.188 174.900 0.030 0.000 1.165 136 G CA -0.256 44.870 45.100 0.043 0.000 0.776 136 G HN -0.162 8.176 8.290 0.080 0.000 0.541 137 G N -0.588 108.220 108.800 0.013 0.000 2.675 137 G HA2 -0.271 3.682 3.960 -0.012 0.000 0.686 137 G HA3 -0.271 3.695 3.960 0.010 0.000 0.686 137 G C -2.535 172.372 174.900 0.011 0.000 1.215 137 G CA -0.755 44.347 45.100 0.003 0.000 0.777 137 G HN -0.562 7.675 8.290 0.000 0.053 0.638 138 L N 0.452 121.674 121.223 -0.002 0.000 2.354 138 L HA 0.425 4.782 4.340 0.028 0.000 0.264 138 L C -2.268 174.611 176.870 0.016 0.000 1.008 138 L CA -3.004 51.839 54.840 0.006 0.000 0.819 138 L CB 2.386 44.425 42.059 -0.033 0.000 1.339 138 L HN -0.357 8.093 8.230 -0.007 -0.223 0.420 139 P HA 0.217 4.650 4.420 0.020 0.000 0.285 139 P C -1.799 175.513 177.300 0.019 0.000 1.259 139 P CA -0.723 62.392 63.100 0.024 0.000 0.794 139 P CB 0.387 32.106 31.700 0.033 0.000 0.940 140 T N -1.315 113.247 114.554 0.014 0.000 2.887 140 T HA 0.122 4.610 4.350 0.017 -0.128 0.288 140 T C 0.041 174.745 174.700 0.006 0.000 1.021 140 T CA -2.491 59.617 62.100 0.013 0.000 1.000 140 T CB 2.938 71.814 68.868 0.013 0.000 1.034 140 T HN -0.190 8.057 8.240 0.012 0.000 0.467 141 I N 3.657 124.230 120.570 0.005 0.000 2.618 141 I HA 0.019 4.183 4.170 -0.010 0.000 0.284 141 I C -1.956 174.146 176.117 -0.025 0.000 1.146 141 I CA -1.983 59.311 61.300 -0.009 0.000 1.425 141 I CB 0.976 38.971 38.000 -0.008 0.000 1.383 141 I HN -0.097 8.120 8.210 0.011 0.000 0.562 142 P HA 0.090 4.485 4.420 -0.042 0.000 0.271 142 P C -1.783 175.455 177.300 -0.104 0.000 1.216 142 P CA -0.364 62.702 63.100 -0.056 0.000 0.771 142 P CB 0.643 32.310 31.700 -0.054 0.000 0.864 143 I N 1.991 122.498 120.570 -0.104 0.000 2.468 143 I HA 0.152 4.149 4.170 -0.289 0.000 0.285 143 I C -1.279 174.751 176.117 -0.146 0.000 1.039 143 I CA -0.420 60.776 61.300 -0.174 0.000 1.074 143 I CB 3.217 41.162 38.000 -0.091 0.000 1.228 143 I HN -0.032 8.135 8.210 -0.072 0.000 0.436 144 N N 7.932 126.494 118.700 -0.231 0.000 2.609 144 N HA 0.116 4.821 4.740 -0.058 0.000 0.234 144 N C 0.296 175.782 175.510 -0.040 0.000 1.001 144 N CA -1.491 51.489 53.050 -0.117 0.000 0.926 144 N CB -0.044 38.381 38.487 -0.104 0.000 1.130 144 N HN 0.283 8.447 8.380 -0.360 0.000 0.510 145 A N 5.570 128.444 122.820 0.089 0.000 2.125 145 A HA -0.133 4.497 4.320 0.516 0.000 0.219 145 A C 0.884 178.598 177.584 0.218 0.000 1.156 145 A CA 2.193 54.386 52.037 0.259 0.000 0.671 145 A CB -0.006 19.092 19.000 0.163 0.000 0.794 145 A HN 0.770 8.956 8.150 0.059 0.000 0.459 146 R N -4.590 115.986 120.500 0.127 0.000 2.334 146 R HA 0.078 4.471 4.340 0.088 0.000 0.216 146 R C -0.196 176.161 176.300 0.095 0.000 0.905 146 R CA -0.384 55.771 56.100 0.092 0.000 1.064 146 R CB 0.747 31.080 30.300 0.054 0.000 1.046 146 R HN -0.579 7.940 8.270 0.090 -0.195 0.508 147 R N 1.675 122.246 120.500 0.118 0.000 2.389 147 R HA -0.076 4.298 4.340 0.057 0.000 0.295 147 R C -0.990 175.381 176.300 0.118 0.000 1.075 147 R CA 0.072 56.222 56.100 0.083 0.000 1.005 147 R CB 0.453 30.762 30.300 0.014 0.000 0.987 147 R HN -0.608 7.695 8.270 0.132 0.046 0.452 148 V N 7.548 127.463 119.914 0.001 0.000 2.334 148 V HA 0.220 4.317 4.120 -0.039 0.000 0.281 148 V C -1.864 174.020 176.094 -0.350 0.000 1.016 148 V CA -3.359 58.864 62.300 -0.128 0.000 0.832 148 V CB 1.389 33.108 31.823 -0.173 0.000 0.999 148 V HN 0.062 8.246 8.190 -0.010 0.000 0.439 149 P HA -0.065 4.297 4.420 -0.096 0.000 0.263 149 P C -1.516 175.614 177.300 -0.284 0.000 1.195 149 P CA -0.200 62.811 63.100 -0.148 0.000 0.762 149 P CB 0.305 32.007 31.700 0.003 0.000 0.799 150 H N 3.569 122.663 119.070 0.040 0.000 2.492 150 H HA 0.283 4.857 4.556 0.029 0.000 0.345 150 H C -0.226 175.115 175.328 0.022 0.000 1.136 150 H CA -1.371 54.694 56.048 0.028 0.000 1.202 150 H CB 3.401 33.177 29.762 0.023 0.000 1.524 150 H HN -0.106 8.456 8.280 0.016 -0.273 0.506 151 I N 2.054 122.712 120.570 0.147 0.000 2.828 151 I HA -0.631 3.704 4.170 0.064 -0.127 0.292 151 I C 1.293 177.453 176.117 0.071 0.000 1.206 151 I CA 2.312 63.661 61.300 0.083 0.000 1.420 151 I CB -0.910 37.128 38.000 0.064 0.000 1.368 151 I HN 0.678 8.982 8.210 0.157 0.000 0.556 152 G N 7.053 115.881 108.800 0.046 0.000 2.253 152 G HA2 -0.342 3.630 3.960 0.020 0.000 0.209 152 G HA3 -0.342 3.638 3.960 0.034 0.000 0.209 152 G C -0.381 174.537 174.900 0.030 0.000 0.997 152 G CA -0.611 44.508 45.100 0.032 0.000 0.640 152 G HN 0.308 8.620 8.290 0.037 0.000 0.496 153 D N 2.734 123.161 120.400 0.046 0.000 2.488 153 D HA -0.096 4.565 4.640 0.035 0.000 0.238 153 D C -0.036 176.253 176.300 -0.018 0.000 1.138 153 D CA 1.588 55.605 54.000 0.029 0.000 0.873 153 D CB 0.460 41.284 40.800 0.041 0.000 1.183 153 D HN -0.365 7.989 8.370 0.066 0.056 0.458 154 V N 2.413 122.298 119.914 -0.048 0.000 2.585 154 V HA 0.022 4.233 4.120 -0.119 -0.162 0.296 154 V C -0.001 175.994 176.094 -0.166 0.000 1.035 154 V CA 0.933 63.151 62.300 -0.136 0.000 1.084 154 V CB 0.190 31.875 31.823 -0.230 0.000 0.953 154 V HN 0.133 8.305 8.190 -0.030 0.000 0.483 155 V N 0.654 120.468 119.914 -0.168 0.000 2.962 155 V HA 1.006 5.210 4.120 -0.142 -0.169 0.313 155 V C -1.511 174.487 176.094 -0.161 0.000 1.099 155 V CA -3.354 58.862 62.300 -0.140 0.000 0.971 155 V CB 3.817 35.595 31.823 -0.074 0.000 1.028 155 V HN 0.450 8.431 8.190 -0.157 0.115 0.430 156 L N 0.484 121.631 121.223 -0.127 0.000 2.346 156 L HA 0.913 5.402 4.340 -0.097 -0.207 0.276 156 L C -0.952 175.887 176.870 -0.052 0.000 1.006 156 L CA -2.223 52.561 54.840 -0.093 0.000 0.817 156 L CB 2.947 44.959 42.059 -0.079 0.000 1.272 156 L HN 0.475 8.639 8.230 -0.110 0.000 0.421 157 A N 2.393 125.190 122.820 -0.038 0.000 2.309 157 A HA 0.789 5.254 4.320 -0.021 -0.158 0.298 157 A C -1.298 176.277 177.584 -0.015 0.000 1.165 157 A CA -1.799 50.223 52.037 -0.024 0.000 0.821 157 A CB 2.201 21.186 19.000 -0.026 0.000 1.102 157 A HN 0.581 8.708 8.150 -0.039 0.000 0.500 158 I N 1.716 122.280 120.570 -0.010 0.000 2.478 158 I HA 0.809 5.187 4.170 -0.002 -0.210 0.287 158 I C -0.759 175.353 176.117 -0.009 0.000 1.042 158 I CA -1.330 59.967 61.300 -0.005 0.000 1.067 158 I CB 2.762 40.762 38.000 -0.001 0.000 1.233 158 I HN 0.004 8.208 8.210 -0.010 0.000 0.431 159 G N 5.074 113.867 108.800 -0.012 0.000 2.500 159 G HA2 0.277 4.222 3.960 -0.026 0.000 0.299 159 G HA3 0.277 4.218 3.960 -0.032 0.000 0.299 159 G C -3.274 171.611 174.900 -0.026 0.000 1.242 159 G CA 0.694 45.779 45.100 -0.025 0.000 0.859 159 G HN -0.335 7.951 8.290 -0.007 0.000 0.481 160 N N 0.566 119.237 118.700 -0.048 0.000 2.765 160 N HA 0.683 5.417 4.740 -0.011 0.000 0.277 160 N C -2.223 173.258 175.510 -0.050 0.000 1.750 160 N CA -3.490 49.537 53.050 -0.039 0.000 0.827 160 N CB 1.889 40.335 38.487 -0.069 0.000 1.200 160 N HN -0.164 8.177 8.380 -0.064 0.000 0.494 161 P HA 0.005 4.457 4.420 -0.239 -0.175 0.263 161 P C -0.162 177.149 177.300 0.018 0.000 1.195 161 P CA 0.365 63.401 63.100 -0.108 0.000 0.762 161 P CB -0.264 31.426 31.700 -0.017 0.000 0.799 162 Y N 0.264 120.568 120.300 0.007 0.000 4.324 162 Y HA -0.564 3.996 4.550 0.016 0.000 0.224 162 Y C -0.913 175.005 175.900 0.030 0.000 1.113 162 Y CA 1.003 59.112 58.100 0.016 0.000 1.887 162 Y CB -2.535 35.932 38.460 0.012 0.000 1.602 162 Y HN 0.278 8.315 8.280 -0.406 0.000 0.654 163 N N -3.171 115.606 118.700 0.128 0.000 2.735 163 N HA -0.339 4.576 4.740 0.112 -0.108 0.248 163 N C 0.170 175.756 175.510 0.126 0.000 1.083 163 N CA 1.132 54.260 53.050 0.131 0.000 0.703 163 N CB -0.836 37.748 38.487 0.160 0.000 1.005 163 N HN -0.436 7.941 8.380 0.067 0.043 0.550 164 L N -2.357 118.937 121.223 0.119 0.000 2.558 164 L HA -0.009 4.384 4.340 0.088 0.000 0.225 164 L C 0.836 177.751 176.870 0.075 0.000 1.128 164 L CA 0.662 55.560 54.840 0.096 0.000 0.868 164 L CB 0.132 42.252 42.059 0.102 0.000 1.006 164 L HN -0.507 7.786 8.230 0.123 0.011 0.454 165 G N -2.114 106.731 108.800 0.076 0.000 2.612 165 G HA2 -0.316 3.688 3.960 0.072 0.000 0.686 165 G HA3 -0.316 3.679 3.960 0.058 0.000 0.686 165 G C -1.734 173.194 174.900 0.047 0.000 1.274 165 G CA -0.965 44.173 45.100 0.063 0.000 0.849 165 G HN -0.684 7.806 8.290 0.083 -0.150 0.595 166 Q N 1.618 121.441 119.800 0.038 0.000 2.286 166 Q HA -0.031 4.543 4.340 0.019 -0.223 0.290 166 Q C -0.258 175.759 176.000 0.028 0.000 1.049 166 Q CA 1.206 57.025 55.803 0.026 0.000 0.923 166 Q CB 0.615 29.368 28.738 0.025 0.000 1.183 166 Q HN 0.336 8.631 8.270 0.041 0.000 0.383 167 T N 8.429 122.997 114.554 0.022 0.000 2.876 167 T HA 0.254 4.622 4.350 0.030 0.000 0.289 167 T C -1.971 172.740 174.700 0.019 0.000 1.014 167 T CA -0.912 61.203 62.100 0.026 0.000 0.986 167 T CB 2.211 71.098 68.868 0.033 0.000 1.021 167 T HN 0.173 8.422 8.240 0.016 0.000 0.458 168 I N 3.515 124.099 120.570 0.023 0.000 2.389 168 I HA 0.800 5.190 4.170 0.011 -0.213 0.288 168 I C -0.015 176.113 176.117 0.019 0.000 0.999 168 I CA -2.289 59.023 61.300 0.019 0.000 1.129 168 I CB 1.088 39.106 38.000 0.029 0.000 1.288 168 I HN 0.297 8.524 8.210 0.028 0.000 0.444 169 T N 5.594 120.152 114.554 0.006 0.000 2.908 169 T HA 0.389 4.748 4.350 0.015 0.000 0.290 169 T C -2.082 172.607 174.700 -0.018 0.000 1.034 169 T CA -1.859 60.243 62.100 0.003 0.000 1.010 169 T CB 2.508 71.376 68.868 0.000 0.000 1.068 169 T HN 0.432 8.671 8.240 -0.002 0.000 0.481 170 Q N 3.154 122.945 119.800 -0.016 0.000 2.337 170 Q HA 0.698 5.146 4.340 -0.093 -0.164 0.266 170 Q C -0.713 175.256 176.000 -0.053 0.000 1.023 170 Q CA -1.098 54.672 55.803 -0.054 0.000 0.829 170 Q CB 3.672 32.394 28.738 -0.025 0.000 1.306 170 Q HN 0.295 8.565 8.270 -0.000 0.000 0.449 171 G N 4.261 113.011 108.800 -0.083 0.000 2.846 171 G HA2 0.741 4.673 3.960 -0.047 0.000 0.299 171 G HA3 0.741 4.816 3.960 -0.059 -0.150 0.299 171 G C -2.642 172.213 174.900 -0.075 0.000 1.242 171 G CA -0.078 44.983 45.100 -0.064 0.000 0.800 171 G HN 0.594 8.815 8.290 -0.114 0.000 0.538 172 I N -5.788 114.750 120.570 -0.054 0.000 2.934 172 I HA 0.961 5.287 4.170 -0.052 -0.187 0.306 172 I C -0.686 175.411 176.117 -0.033 0.000 1.110 172 I CA -2.587 58.687 61.300 -0.042 0.000 1.019 172 I CB 4.458 42.444 38.000 -0.023 0.000 1.227 172 I HN 0.449 8.954 8.210 -0.049 -0.324 0.434 173 I N 2.286 122.847 120.570 -0.015 0.000 2.505 173 I HA -0.092 4.193 4.170 -0.009 -0.119 0.287 173 I C 0.433 176.551 176.117 0.002 0.000 1.104 173 I CA 1.070 62.369 61.300 -0.001 0.000 1.387 173 I CB -0.638 37.375 38.000 0.022 0.000 1.404 173 I HN -0.016 8.187 8.210 -0.010 0.000 0.528 174 S N 9.323 125.016 115.700 -0.011 0.000 2.458 174 S HA -0.010 4.454 4.470 -0.010 0.000 0.223 174 S C -0.800 173.807 174.600 0.011 0.000 1.019 174 S CA 1.235 59.427 58.200 -0.013 0.000 0.937 174 S CB 0.644 63.816 63.200 -0.047 0.000 0.788 174 S HN 0.749 8.931 8.310 -0.022 0.115 0.511 175 A N -1.510 121.329 122.820 0.032 0.000 2.604 175 A HA 0.340 4.689 4.320 0.047 0.000 0.295 175 A C -2.642 174.986 177.584 0.074 0.000 1.067 175 A CA 0.189 52.259 52.037 0.055 0.000 0.683 175 A CB 2.433 21.473 19.000 0.067 0.000 1.281 175 A HN -0.856 7.313 8.150 0.032 0.000 0.407 176 T N -0.759 113.835 114.554 0.066 0.000 3.390 176 T HA 0.075 4.469 4.350 0.073 0.000 0.315 176 T C 0.136 174.868 174.700 0.054 0.000 1.799 176 T CA -1.477 60.659 62.100 0.060 0.000 1.553 176 T CB -0.204 68.686 68.868 0.038 0.000 1.002 176 T HN 0.245 8.521 8.240 0.059 0.000 0.715 177 G N 4.552 113.402 108.800 0.084 0.000 2.756 177 G HA2 -0.379 3.725 3.960 0.087 0.000 0.678 177 G HA3 -0.379 3.652 3.960 0.030 -0.053 0.678 177 G C -1.754 173.180 174.900 0.056 0.000 1.349 177 G CA -0.360 44.778 45.100 0.064 0.000 0.847 177 G HN -0.104 8.258 8.290 0.120 0.000 0.548 178 R N -0.293 120.230 120.500 0.039 0.000 2.744 178 R HA 0.316 4.674 4.340 0.031 0.000 0.279 178 R C 0.384 176.690 176.300 0.009 0.000 0.977 178 R CA -2.228 53.890 56.100 0.030 0.000 0.906 178 R CB 2.769 33.092 30.300 0.038 0.000 1.197 178 R HN -0.117 8.052 8.270 0.028 0.118 0.463 179 I N -2.024 118.551 120.570 0.007 0.000 2.429 179 I HA 0.038 4.205 4.170 -0.005 0.000 0.247 179 I C 0.241 176.357 176.117 -0.003 0.000 1.099 179 I CA 0.648 61.947 61.300 -0.001 0.000 1.422 179 I CB 0.040 38.041 38.000 0.001 0.000 1.112 179 I HN 0.059 8.276 8.210 0.011 0.000 0.430 180 G N -0.074 108.727 108.800 0.001 0.000 2.557 180 G HA2 0.097 4.056 3.960 -0.003 0.000 0.292 180 G HA3 0.097 4.058 3.960 0.001 0.000 0.292 180 G C -1.264 173.636 174.900 -0.000 0.000 1.237 180 G CA -1.016 44.084 45.100 -0.000 0.000 0.978 180 G HN -0.593 7.699 8.290 0.004 0.000 0.498 181 L N -1.573 119.649 121.223 -0.001 0.000 2.416 181 L HA -0.007 4.331 4.340 -0.002 0.000 0.272 181 L C -0.455 176.416 176.870 0.001 0.000 1.161 181 L CA 0.890 55.730 54.840 -0.001 0.000 0.845 181 L CB -0.031 42.027 42.059 -0.001 0.000 1.119 181 L HN 0.081 8.310 8.230 -0.002 0.000 0.464 182 N N 2.494 121.194 118.700 0.000 0.000 2.732 182 N HA 0.348 5.085 4.740 -0.005 0.000 0.259 182 N C -1.804 173.700 175.510 -0.011 0.000 1.402 182 N CA -1.771 51.277 53.050 -0.004 0.000 0.829 182 N CB 0.031 38.519 38.487 0.002 0.000 1.495 182 N HN -0.543 7.837 8.380 0.001 0.000 0.511 183 P HA -0.147 4.274 4.420 0.001 0.000 0.226 183 P C -0.263 177.010 177.300 -0.044 0.000 1.146 183 P CA 1.988 65.075 63.100 -0.023 0.000 0.773 183 P CB 0.020 31.693 31.700 -0.046 0.000 0.772 184 T N -6.822 107.682 114.554 -0.084 0.000 3.067 184 T HA -0.049 4.196 4.350 -0.176 0.000 0.257 184 T C 1.676 176.386 174.700 0.017 0.000 1.105 184 T CA 0.019 62.044 62.100 -0.125 0.000 1.104 184 T CB 0.815 69.523 68.868 -0.267 0.000 0.925 184 T HN -0.535 7.849 8.240 -0.070 -0.186 0.498 185 G N 2.230 111.040 108.800 0.017 0.000 2.184 185 G HA2 -0.440 3.526 3.960 0.010 0.000 0.264 185 G HA3 -0.440 3.535 3.960 0.025 0.000 0.264 185 G C -0.775 174.134 174.900 0.014 0.000 0.975 185 G CA 0.007 45.119 45.100 0.020 0.000 0.642 185 G HN 0.006 8.166 8.290 0.004 0.132 0.536 186 R N -2.041 118.480 120.500 0.035 0.000 2.919 186 R HA 0.347 4.641 4.340 -0.076 0.000 0.260 186 R C -1.138 175.136 176.300 -0.044 0.000 1.067 186 R CA -2.353 53.713 56.100 -0.056 0.000 1.003 186 R CB 1.964 32.125 30.300 -0.232 0.000 1.192 186 R HN -0.631 7.612 8.270 0.084 0.078 0.488 187 Q N -2.349 117.388 119.800 -0.104 0.000 2.189 187 Q HA 0.182 4.509 4.340 -0.020 0.000 0.223 187 Q C -0.175 175.783 176.000 -0.071 0.000 0.828 187 Q CA 0.724 56.491 55.803 -0.059 0.000 0.967 187 Q CB 0.817 29.522 28.738 -0.055 0.000 1.139 187 Q HN 0.395 8.573 8.270 -0.154 0.000 0.497 188 N N -2.397 116.205 118.700 -0.163 0.000 2.238 188 N HA 0.073 4.766 4.740 -0.078 0.000 0.235 188 N C -1.421 174.020 175.510 -0.115 0.000 1.209 188 N CA -1.205 51.757 53.050 -0.147 0.000 0.879 188 N CB -0.761 37.613 38.487 -0.189 0.000 1.136 188 N HN 0.021 8.240 8.380 -0.269 0.000 0.517 189 F N 0.461 120.411 119.950 -0.000 0.000 2.456 189 F HA -0.015 4.538 4.527 0.044 0.000 0.358 189 F C -0.221 175.638 175.800 0.099 0.000 1.095 189 F CA 0.523 58.551 58.000 0.047 0.000 1.216 189 F CB 0.491 39.506 39.000 0.026 0.000 1.125 189 F HN -0.607 7.725 8.300 0.053 0.000 0.549 190 L N 2.525 123.957 121.223 0.347 0.000 2.367 190 L HA 0.099 4.720 4.340 0.180 -0.173 0.275 190 L C -0.737 176.287 176.870 0.256 0.000 1.129 190 L CA -0.324 54.654 54.840 0.230 0.000 0.839 190 L CB 0.356 42.511 42.059 0.161 0.000 1.133 190 L HN 0.155 8.596 8.230 0.351 0.000 0.453 191 Q N 4.356 124.248 119.800 0.153 0.000 2.266 191 Q HA 0.762 5.212 4.340 -0.104 -0.173 0.261 191 Q C -1.029 174.922 176.000 -0.083 0.000 0.985 191 Q CA -1.538 54.256 55.803 -0.014 0.000 0.873 191 Q CB 3.596 32.329 28.738 -0.008 0.000 1.306 191 Q HN 0.048 8.396 8.270 0.130 0.000 0.447 192 T N 3.503 117.947 114.554 -0.184 0.000 2.889 192 T HA 0.634 5.074 4.350 -0.089 -0.144 0.315 192 T C -1.737 172.872 174.700 -0.152 0.000 1.291 192 T CA -2.517 59.509 62.100 -0.124 0.000 1.028 192 T CB 1.442 70.262 68.868 -0.079 0.000 1.235 192 T HN 0.448 8.505 8.240 -0.304 0.000 0.491 193 D N 3.815 124.154 120.400 -0.102 0.000 2.395 193 D HA 0.231 4.873 4.640 -0.110 -0.068 0.213 193 D C 0.018 176.278 176.300 -0.066 0.000 1.110 193 D CA -1.464 52.482 54.000 -0.089 0.000 0.835 193 D CB 0.091 40.851 40.800 -0.066 0.000 0.965 193 D HN -0.070 8.251 8.370 -0.081 0.000 0.505 194 A N 1.595 124.375 122.820 -0.066 0.000 2.522 194 A HA -0.186 4.108 4.320 -0.043 0.000 0.256 194 A C -0.625 176.931 177.584 -0.048 0.000 1.086 194 A CA 0.865 52.871 52.037 -0.052 0.000 0.763 194 A CB 0.106 19.073 19.000 -0.055 0.000 1.024 194 A HN -0.692 7.373 8.150 -0.071 0.043 0.502 195 S N 2.440 118.122 115.700 -0.030 0.000 2.575 195 S HA -0.151 4.303 4.470 -0.026 0.000 0.295 195 S C -0.657 173.928 174.600 -0.026 0.000 1.267 195 S CA 1.056 59.243 58.200 -0.021 0.000 1.074 195 S CB 0.064 63.265 63.200 0.002 0.000 0.829 195 S HN 0.174 8.470 8.310 -0.022 0.000 0.497 196 I N 5.009 125.558 120.570 -0.035 0.000 2.465 196 I HA 0.128 4.394 4.170 -0.044 -0.123 0.291 196 I C -1.041 175.044 176.117 -0.053 0.000 1.014 196 I CA -1.430 59.842 61.300 -0.045 0.000 1.093 196 I CB 1.204 39.172 38.000 -0.054 0.000 1.267 196 I HN 0.389 8.577 8.210 -0.036 0.000 0.431 197 N N 6.207 124.850 118.700 -0.095 0.000 2.509 197 N HA 0.436 5.095 4.740 -0.134 0.000 0.280 197 N C -3.259 172.087 175.510 -0.274 0.000 1.306 197 N CA -1.926 51.013 53.050 -0.185 0.000 0.782 197 N CB 2.044 40.383 38.487 -0.245 0.000 1.493 197 N HN 0.198 8.813 8.380 -0.099 -0.294 0.498 198 P HA -0.208 4.085 4.420 -0.211 0.000 0.258 198 P C -0.620 176.470 177.300 -0.350 0.000 1.187 198 P CA 1.555 64.456 63.100 -0.332 0.000 0.767 198 P CB -0.379 31.114 31.700 -0.346 0.000 0.770 199 G N 3.000 111.680 108.800 -0.199 0.000 2.284 199 G HA2 -0.369 3.681 3.960 -0.131 0.000 0.201 199 G HA3 -0.369 3.642 3.960 -0.176 -0.156 0.201 199 G C 0.941 175.770 174.900 -0.118 0.000 0.998 199 G CA 0.738 45.744 45.100 -0.157 0.000 0.651 199 G HN 0.443 8.641 8.290 -0.154 0.000 0.489 200 N N 0.823 119.457 118.700 -0.111 0.000 2.494 200 N HA -0.088 4.614 4.740 -0.063 0.000 0.182 200 N C -0.211 175.274 175.510 -0.042 0.000 1.076 200 N CA 1.100 54.108 53.050 -0.069 0.000 0.908 200 N CB 0.855 39.303 38.487 -0.064 0.000 0.967 200 N HN -0.042 8.257 8.380 -0.134 0.000 0.449 201 S N -1.684 113.992 115.700 -0.040 0.000 2.533 201 S HA -0.211 4.353 4.470 0.008 -0.089 0.282 201 S C 0.646 175.248 174.600 0.003 0.000 1.304 201 S CA 2.196 60.392 58.200 -0.006 0.000 1.063 201 S CB -0.002 63.200 63.200 0.003 0.000 0.881 201 S HN -0.548 7.676 8.310 -0.057 0.053 0.493 202 G N 4.787 113.602 108.800 0.026 0.000 2.176 202 G HA2 -0.439 3.546 3.960 0.042 0.000 0.253 202 G HA3 -0.439 3.654 3.960 0.020 -0.122 0.253 202 G C -0.344 174.567 174.900 0.019 0.000 0.979 202 G CA 0.143 45.259 45.100 0.028 0.000 0.641 202 G HN 0.650 8.963 8.290 0.038 0.000 0.530 203 G N -0.037 108.769 108.800 0.009 0.000 2.535 203 G HA2 0.418 4.380 3.960 0.003 0.000 0.282 203 G HA3 0.418 4.509 3.960 -0.004 -0.134 0.282 203 G C -2.238 172.673 174.900 0.018 0.000 1.350 203 G CA -1.523 43.580 45.100 0.005 0.000 1.039 203 G HN -0.583 7.642 8.290 0.006 0.068 0.509 204 A N -2.345 120.482 122.820 0.011 0.000 2.306 204 A HA 0.557 4.893 4.320 0.026 0.000 0.330 204 A C -2.199 175.390 177.584 0.008 0.000 1.146 204 A CA -1.674 50.371 52.037 0.014 0.000 0.827 204 A CB 2.923 21.926 19.000 0.006 0.000 1.178 204 A HN -0.220 7.933 8.150 0.005 0.000 0.490 205 L N 3.126 124.357 121.223 0.014 0.000 2.345 205 L HA 0.895 5.432 4.340 -0.010 -0.203 0.274 205 L C -1.817 175.046 176.870 -0.012 0.000 0.999 205 L CA -0.978 53.864 54.840 0.002 0.000 0.849 205 L CB 3.129 45.201 42.059 0.021 0.000 1.220 205 L HN -0.153 8.092 8.230 0.025 0.000 0.422 206 V N 1.644 121.537 119.914 -0.034 0.000 2.994 206 V HA 0.968 5.220 4.120 -0.059 -0.167 0.318 206 V C -1.290 174.765 176.094 -0.066 0.000 1.085 206 V CA -3.859 58.410 62.300 -0.052 0.000 0.998 206 V CB 3.402 35.195 31.823 -0.049 0.000 1.063 206 V HN 0.342 8.510 8.190 -0.037 0.000 0.447 207 N N 0.388 119.047 118.700 -0.068 0.000 2.495 207 N HA 0.477 5.340 4.740 -0.089 -0.176 0.294 207 N C 1.962 177.430 175.510 -0.071 0.000 1.276 207 N CA -1.564 51.443 53.050 -0.072 0.000 0.973 207 N CB 0.907 39.366 38.487 -0.046 0.000 1.143 207 N HN -0.315 8.022 8.380 -0.072 0.000 0.589 208 S N -1.055 114.611 115.700 -0.056 0.000 2.507 208 S HA -0.155 4.304 4.470 -0.018 0.000 0.235 208 S C 0.605 175.238 174.600 0.055 0.000 0.988 208 S CA 2.241 60.447 58.200 0.012 0.000 0.944 208 S CB -0.756 62.505 63.200 0.102 0.000 0.762 208 S HN 0.332 8.612 8.310 -0.049 0.000 0.526 209 L N -2.768 118.464 121.223 0.015 0.000 2.585 209 L HA 0.235 4.591 4.340 0.027 0.000 0.226 209 L C 0.655 177.521 176.870 -0.006 0.000 1.113 209 L CA -0.146 54.701 54.840 0.011 0.000 0.876 209 L CB 0.188 42.245 42.059 -0.003 0.000 1.072 209 L HN -0.608 7.827 8.230 -0.004 -0.208 0.468 210 G N -2.046 106.744 108.800 -0.017 0.000 2.143 210 G HA2 -0.471 3.474 3.960 -0.025 0.000 0.249 210 G HA3 -0.471 3.479 3.960 -0.016 0.000 0.249 210 G C -0.605 174.261 174.900 -0.058 0.000 0.981 210 G CA 0.009 45.093 45.100 -0.027 0.000 0.665 210 G HN -0.265 7.910 8.290 -0.020 0.103 0.528 211 E N -0.190 119.960 120.200 -0.084 0.000 2.313 211 E HA -0.087 4.176 4.350 -0.146 0.000 0.276 211 E C -0.609 175.877 176.600 -0.190 0.000 1.031 211 E CA -0.786 55.525 56.400 -0.148 0.000 0.857 211 E CB 1.070 30.667 29.700 -0.171 0.000 1.040 211 E HN -0.691 7.831 8.360 -0.073 -0.207 0.408 212 L N 5.237 126.312 121.223 -0.246 0.000 2.562 212 L HA -0.247 4.021 4.340 -0.119 0.000 0.271 212 L C -0.694 175.996 176.870 -0.301 0.000 1.167 212 L CA 1.378 56.087 54.840 -0.219 0.000 0.917 212 L CB 0.001 41.953 42.059 -0.177 0.000 1.187 212 L HN -0.112 7.967 8.230 -0.251 0.000 0.482 213 M N 4.189 123.749 119.600 -0.066 0.000 2.466 213 M HA 0.106 4.671 4.480 0.142 0.000 0.265 213 M C 0.148 176.606 176.300 0.263 0.000 1.122 213 M CA 0.153 55.515 55.300 0.104 0.000 1.157 213 M CB 1.317 33.954 32.600 0.061 0.000 1.352 213 M HN 0.632 8.899 8.290 -0.038 0.000 0.464 214 G N -4.457 104.443 108.800 0.168 0.000 2.349 214 G HA2 0.211 4.426 3.960 0.214 0.000 0.294 214 G HA3 0.211 4.303 3.960 0.161 -0.036 0.294 214 G C -3.009 171.961 174.900 0.117 0.000 1.380 214 G CA 0.402 45.605 45.100 0.171 0.000 0.811 214 G HN -0.669 7.684 8.290 0.104 0.000 0.519 215 I N -1.186 119.455 120.570 0.119 0.000 2.362 215 I HA 0.631 5.023 4.170 0.076 -0.177 0.289 215 I C -0.608 175.571 176.117 0.103 0.000 0.994 215 I CA -3.797 57.560 61.300 0.095 0.000 1.158 215 I CB 0.912 38.967 38.000 0.091 0.000 1.315 215 I HN -0.127 8.162 8.210 0.133 0.000 0.451 216 N N 7.740 126.484 118.700 0.073 0.000 2.492 216 N HA 0.128 5.076 4.740 0.080 -0.160 0.260 216 N C 0.980 176.536 175.510 0.078 0.000 1.215 216 N CA 0.975 54.065 53.050 0.066 0.000 0.923 216 N CB 0.793 39.296 38.487 0.027 0.000 1.092 216 N HN -0.087 8.326 8.380 0.055 0.000 0.448 217 T N 0.443 115.049 114.554 0.087 0.000 3.166 217 T HA 0.087 4.495 4.350 0.097 0.000 0.182 217 T C 0.046 174.777 174.700 0.052 0.000 0.810 217 T CA 0.238 62.392 62.100 0.089 0.000 1.441 217 T CB 1.026 69.959 68.868 0.109 0.000 2.201 217 T HN -0.033 8.260 8.240 0.089 0.000 0.414 218 L N -1.775 119.477 121.223 0.049 0.000 2.283 218 L HA 0.324 4.665 4.340 0.002 0.000 0.259 218 L C -1.489 175.429 176.870 0.081 0.000 1.027 218 L CA -0.754 54.103 54.840 0.029 0.000 0.828 218 L CB 4.199 46.254 42.059 -0.007 0.000 1.380 218 L HN -0.335 7.930 8.230 0.059 0.000 0.425 219 S N -0.852 114.878 115.700 0.049 0.000 2.473 219 S HA 0.134 4.650 4.470 0.077 0.000 0.307 219 S C -0.577 174.097 174.600 0.123 0.000 1.094 219 S CA -1.789 56.451 58.200 0.066 0.000 1.070 219 S CB 0.781 63.980 63.200 -0.003 0.000 1.019 219 S HN -0.074 8.243 8.310 0.011 0.000 0.480 220 F N 9.053 129.042 119.950 0.065 0.000 2.602 220 F HA -0.165 4.420 4.527 0.097 0.000 0.385 220 F C -1.502 174.311 175.800 0.022 0.000 1.063 220 F CA 1.233 59.284 58.000 0.085 0.000 1.233 220 F CB 0.846 39.928 39.000 0.137 0.000 1.067 220 F HN 0.051 8.551 8.300 0.333 0.000 0.564 229 P HA 0.212 4.716 4.420 0.139 0.000 0.272 229 P C -1.933 175.410 177.300 0.072 0.000 1.230 229 P CA -0.076 63.101 63.100 0.130 0.000 0.788 229 P CB 1.228 33.104 31.700 0.294 0.000 0.949 230 E N -0.940 119.294 120.200 0.058 0.000 2.308 230 E HA 0.297 4.660 4.350 0.022 0.000 0.275 230 E C -1.100 175.500 176.600 -0.001 0.000 0.890 230 E CA -0.832 55.582 56.400 0.024 0.000 0.754 230 E CB 1.791 31.502 29.700 0.018 0.000 1.207 230 E HN 0.424 8.822 8.360 0.063 0.000 0.426 231 G N 4.422 113.211 108.800 -0.019 0.000 2.283 231 G HA2 -0.362 3.566 3.960 -0.053 0.000 0.280 231 G HA3 -0.362 3.571 3.960 -0.044 0.000 0.280 231 G C -1.617 173.224 174.900 -0.098 0.000 1.029 231 G CA 0.577 45.647 45.100 -0.050 0.000 0.840 231 G HN 0.520 8.803 8.290 -0.013 0.000 0.505 232 I N -0.374 120.129 120.570 -0.111 0.000 2.448 232 I HA 0.150 4.136 4.170 -0.306 0.000 0.281 232 I C -1.794 174.109 176.117 -0.356 0.000 1.027 232 I CA -0.807 60.349 61.300 -0.240 0.000 1.111 232 I CB 0.637 38.545 38.000 -0.153 0.000 1.236 232 I HN -0.341 7.814 8.210 -0.066 0.016 0.452 233 G N 5.104 113.569 108.800 -0.559 0.000 2.680 233 G HA2 0.813 4.502 3.960 -0.452 0.000 0.290 233 G HA3 0.813 4.595 3.960 -0.297 0.000 0.290 233 G C -2.715 171.687 174.900 -0.829 0.000 1.355 233 G CA -0.966 43.811 45.100 -0.538 0.000 0.903 233 G HN 0.065 8.027 8.290 -0.546 0.000 0.474 234 F N -2.672 117.215 119.950 -0.104 0.000 2.603 234 F HA 0.985 5.643 4.527 -0.097 -0.189 0.317 234 F C -1.901 173.868 175.800 -0.052 0.000 1.066 234 F CA -2.004 55.907 58.000 -0.148 0.000 0.941 234 F CB 5.191 43.924 39.000 -0.445 0.000 1.291 234 F HN -0.629 7.638 8.300 -0.054 0.000 0.472 235 A N -1.296 121.683 122.820 0.264 0.000 2.520 235 A HA 0.707 5.311 4.320 0.212 -0.157 0.298 235 A C -2.196 175.602 177.584 0.357 0.000 1.051 235 A CA -1.534 50.648 52.037 0.242 0.000 0.690 235 A CB 3.864 22.953 19.000 0.150 0.000 1.281 235 A HN 0.685 9.038 8.150 0.337 0.000 0.402 236 I N 1.233 121.978 120.570 0.292 0.000 2.496 236 I HA 0.245 4.536 4.170 0.202 0.000 0.285 236 I C -1.692 174.497 176.117 0.121 0.000 1.080 236 I CA -3.549 57.870 61.300 0.198 0.000 1.404 236 I CB -0.244 37.835 38.000 0.132 0.000 1.403 236 I HN 0.033 8.392 8.210 0.247 0.000 0.539 237 P HA 0.029 4.493 4.420 0.072 0.000 0.266 237 P C 0.946 178.236 177.300 -0.016 0.000 1.195 237 P CA 0.054 63.157 63.100 0.007 0.000 0.768 237 P CB 0.115 31.754 31.700 -0.102 0.000 0.838 238 F N 3.600 123.552 119.950 0.002 0.000 2.216 238 F HA -0.365 4.164 4.527 0.003 0.000 0.300 238 F C 1.135 176.927 175.800 -0.013 0.000 1.085 238 F CA 3.646 61.645 58.000 -0.003 0.000 1.326 238 F CB -0.547 38.450 39.000 -0.004 0.000 1.027 238 F HN -0.275 8.190 8.300 0.275 0.000 0.497 239 Q N 0.199 119.428 119.800 -0.952 0.000 2.030 239 Q HA -0.388 3.620 4.340 -0.554 0.000 0.204 239 Q C 2.202 178.045 176.000 -0.262 0.000 0.986 239 Q CA 3.310 58.735 55.803 -0.630 0.000 0.843 239 Q CB -1.095 27.267 28.738 -0.626 0.000 0.904 239 Q HN 0.097 7.587 8.270 -1.276 0.014 0.420 240 L N -1.530 119.562 121.223 -0.219 0.000 2.083 240 L HA -0.265 3.996 4.340 -0.130 0.000 0.209 240 L C 1.247 178.069 176.870 -0.081 0.000 1.083 240 L CA 2.404 57.163 54.840 -0.135 0.000 0.752 240 L CB -0.693 41.286 42.059 -0.134 0.000 0.899 240 L HN -0.645 7.434 8.230 -0.252 0.000 0.433 241 A N -2.175 120.617 122.820 -0.046 0.000 1.930 241 A HA -0.323 3.993 4.320 -0.007 0.000 0.217 241 A C 1.862 179.447 177.584 0.002 0.000 1.175 241 A CA 3.148 55.185 52.037 0.000 0.000 0.627 241 A CB -0.733 18.298 19.000 0.050 0.000 0.815 241 A HN -0.255 7.866 8.150 -0.050 0.000 0.443 242 T N 0.311 114.869 114.554 0.007 0.000 2.821 242 T HA -0.407 3.953 4.350 0.017 0.000 0.267 242 T C 1.910 176.593 174.700 -0.028 0.000 1.046 242 T CA 5.020 67.126 62.100 0.009 0.000 1.139 242 T CB -0.220 68.674 68.868 0.043 0.000 0.871 242 T HN -0.427 7.814 8.240 0.003 0.000 0.454 243 K N 1.813 122.185 120.400 -0.046 0.000 2.025 243 K HA -0.277 4.012 4.320 -0.052 0.000 0.207 243 K C 2.349 178.917 176.600 -0.053 0.000 1.049 243 K CA 3.594 59.849 56.287 -0.054 0.000 0.933 243 K CB -0.221 32.239 32.500 -0.065 0.000 0.714 243 K HN -0.801 7.416 8.250 -0.055 0.000 0.438 244 I N -0.596 119.945 120.570 -0.049 0.000 2.208 244 I HA -0.437 3.705 4.170 -0.047 0.000 0.245 244 I C 1.887 177.976 176.117 -0.047 0.000 1.097 244 I CA 2.502 63.774 61.300 -0.045 0.000 1.363 244 I CB -1.042 36.936 38.000 -0.036 0.000 1.051 244 I HN -0.410 7.771 8.210 -0.049 0.000 0.413 245 M N 1.909 121.480 119.600 -0.047 0.000 2.059 245 M HA -0.545 3.901 4.480 -0.057 0.000 0.259 245 M C 1.390 177.623 176.300 -0.112 0.000 1.072 245 M CA 4.785 60.044 55.300 -0.067 0.000 1.117 245 M CB -0.117 32.450 32.600 -0.055 0.000 1.320 245 M HN -0.361 7.906 8.290 -0.038 0.000 0.408 246 D N -0.874 119.461 120.400 -0.108 0.000 2.149 246 D HA -0.428 4.114 4.640 -0.164 0.000 0.194 246 D C 2.516 178.754 176.300 -0.104 0.000 1.001 246 D CA 3.580 57.507 54.000 -0.121 0.000 0.849 246 D CB -0.710 40.039 40.800 -0.084 0.000 0.939 246 D HN -0.414 7.904 8.370 -0.086 0.000 0.449 247 K N -0.272 120.081 120.400 -0.077 0.000 2.025 247 K HA -0.244 4.042 4.320 -0.058 0.000 0.207 247 K C 2.285 178.849 176.600 -0.061 0.000 1.049 247 K CA 3.256 59.506 56.287 -0.061 0.000 0.933 247 K CB -0.007 32.463 32.500 -0.050 0.000 0.714 247 K HN -0.648 7.547 8.250 -0.071 0.012 0.438 248 L N -2.918 118.267 121.223 -0.062 0.000 2.191 248 L HA -0.284 4.034 4.340 -0.036 0.000 0.212 248 L C 1.928 178.764 176.870 -0.057 0.000 1.103 248 L CA 2.505 57.317 54.840 -0.048 0.000 0.769 248 L CB -0.027 42.010 42.059 -0.036 0.000 0.908 248 L HN -0.517 7.675 8.230 -0.064 0.000 0.438 249 I N -2.909 117.594 120.570 -0.112 0.000 2.277 249 I HA -0.373 3.735 4.170 -0.103 0.000 0.243 249 I C 1.597 177.663 176.117 -0.085 0.000 1.094 249 I CA 2.499 63.708 61.300 -0.152 0.000 1.393 249 I CB 0.302 38.074 38.000 -0.380 0.000 1.078 249 I HN -0.338 7.763 8.210 -0.133 0.029 0.417 250 R N -1.545 118.906 120.500 -0.082 0.000 2.075 250 R HA -0.170 4.145 4.340 -0.041 0.000 0.232 250 R C 1.100 177.383 176.300 -0.029 0.000 1.126 250 R CA 2.068 58.139 56.100 -0.048 0.000 0.963 250 R CB -0.091 30.180 30.300 -0.048 0.000 0.858 250 R HN -0.581 7.631 8.270 -0.096 0.000 0.435 251 D N 0.000 120.382 120.400 -0.031 0.000 6.856 251 D HA 0.000 4.630 4.640 -0.016 0.000 0.175 251 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 251 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 251 D HN 0.000 8.346 8.370 -0.039 0.000 0.683