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 2o2e_1_B DATA FIRST_RESID 29 DATA SEQUENCE YVPEALMAVI EEVTAAYQKE RVSQDFLDDL DRLQANYAGR PSPLYEATRL DATA SEQUENCE SQHAGSARIF LKREDLNHTG SHKINNVLGQ ALLARRMGKT RVIAETGAGQ DATA SEQUENCE HGVATATACA LLGLDCVIYM GGIDTARQAL NVARMRLLGA EVVAVQTGSK DATA SEQUENCE TLKDAINEAF RDWVANADNT YYCFGTAAGP HPFPTMVRDF QRIIGMEARV DATA SEQUENCE QIQGQAGRLP DAVVACVGGG SNAIGIFHAF LDDPGVRLVG FEAAGDXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXRVDY RPITDSEAMD AFGLLCRMEG IIPAIESAHA VAGALKLGVE DATA SEQUENCE LGRGAVIVVN LSGRGDKDVE TAAKWF 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 29 Y HA 0.000 nan 4.550 nan 0.000 0.201 29 Y C 0.000 175.926 175.900 0.043 0.000 1.272 29 Y CA 0.000 58.117 58.100 0.028 0.000 1.940 29 Y CB 0.000 38.466 38.460 0.011 0.000 1.050 30 V N 2.372 122.395 119.914 0.182 0.000 2.737 30 V HA 0.307 4.442 4.120 0.026 0.000 0.298 30 V C -2.542 173.518 176.094 -0.057 0.000 1.163 30 V CA -1.404 60.914 62.300 0.030 0.000 0.925 30 V CB 1.493 33.272 31.823 -0.073 0.000 1.037 30 V HN 0.002 nan 8.190 nan 0.000 0.433 31 P HA 0.100 nan 4.420 nan 0.000 0.261 31 P C 1.040 178.226 177.300 -0.190 0.000 1.173 31 P CA 0.242 63.255 63.100 -0.145 0.000 0.760 31 P CB 0.816 32.406 31.700 -0.184 0.000 0.783 32 E N 2.268 122.389 120.200 -0.132 0.000 2.147 32 E HA -0.270 4.096 4.350 0.026 0.000 0.199 32 E C 1.803 178.301 176.600 -0.171 0.000 1.005 32 E CA 1.760 58.080 56.400 -0.133 0.000 0.810 32 E CB -0.179 29.466 29.700 -0.092 0.000 0.736 32 E HN 0.593 nan 8.360 nan 0.000 0.460 33 A N 0.911 123.625 122.820 -0.177 0.000 2.084 33 A HA -0.164 4.171 4.320 0.026 0.000 0.221 33 A C 2.106 179.499 177.584 -0.319 0.000 1.161 33 A CA 0.945 52.858 52.037 -0.206 0.000 0.653 33 A CB -0.543 18.355 19.000 -0.170 0.000 0.802 33 A HN 0.207 nan 8.150 nan 0.000 0.457 34 L N -0.988 119.997 121.223 -0.398 0.000 2.478 34 L HA -0.087 4.268 4.340 0.026 0.000 0.223 34 L C 2.364 178.963 176.870 -0.453 0.000 1.140 34 L CA 0.130 54.627 54.840 -0.572 0.000 0.842 34 L CB -0.508 41.152 42.059 -0.666 0.000 0.953 34 L HN 0.365 nan 8.230 nan 0.000 0.452 35 M N -0.024 119.397 119.600 -0.297 0.000 2.132 35 M HA -0.116 4.379 4.480 0.026 0.000 0.263 35 M C 2.529 178.723 176.300 -0.177 0.000 1.065 35 M CA 1.784 56.963 55.300 -0.202 0.000 1.122 35 M CB -0.973 31.538 32.600 -0.148 0.000 1.365 35 M HN 0.288 nan 8.290 nan 0.000 0.411 36 A N -0.701 122.002 122.820 -0.194 0.000 2.016 36 A HA -0.003 4.332 4.320 0.026 0.000 0.217 36 A C 2.432 179.920 177.584 -0.161 0.000 1.162 36 A CA 0.959 52.911 52.037 -0.143 0.000 0.662 36 A CB -0.760 18.165 19.000 -0.126 0.000 0.812 36 A HN 0.263 nan 8.150 nan 0.000 0.450 37 V N 0.043 119.774 119.914 -0.306 0.000 2.379 37 V HA -0.178 3.957 4.120 0.026 0.000 0.245 37 V C 2.307 178.330 176.094 -0.118 0.000 1.044 37 V CA 1.875 63.938 62.300 -0.396 0.000 1.036 37 V CB -0.314 30.942 31.823 -0.943 0.000 0.664 37 V HN 0.601 nan 8.190 nan 0.000 0.453 38 I N -0.206 120.314 120.570 -0.084 0.000 2.252 38 I HA -0.217 3.969 4.170 0.026 0.000 0.245 38 I C 2.546 178.822 176.117 0.265 0.000 1.102 38 I CA 1.816 63.280 61.300 0.273 0.000 1.385 38 I CB -0.367 37.652 38.000 0.032 0.000 1.064 38 I HN 0.428 nan 8.210 nan 0.000 0.414 39 E N 1.085 121.335 120.200 0.084 0.000 2.118 39 E HA -0.285 4.080 4.350 0.026 0.000 0.195 39 E C 2.040 178.688 176.600 0.080 0.000 0.992 39 E CA 1.301 57.743 56.400 0.070 0.000 0.804 39 E CB 0.018 29.722 29.700 0.006 0.000 0.741 39 E HN 0.446 nan 8.360 nan 0.000 0.458 40 E N -0.079 120.159 120.200 0.064 0.000 2.038 40 E HA -0.183 4.182 4.350 0.026 0.000 0.195 40 E C 2.197 178.848 176.600 0.085 0.000 1.000 40 E CA 1.579 58.019 56.400 0.066 0.000 0.803 40 E CB 0.109 29.844 29.700 0.058 0.000 0.750 40 E HN 0.158 nan 8.360 nan 0.000 0.448 41 V N 0.765 120.739 119.914 0.100 0.000 2.261 41 V HA -0.277 3.859 4.120 0.026 0.000 0.246 41 V C 2.449 178.529 176.094 -0.023 0.000 1.047 41 V CA 2.276 64.564 62.300 -0.019 0.000 1.015 41 V CB -0.951 30.722 31.823 -0.250 0.000 0.642 41 V HN 0.352 nan 8.190 nan 0.000 0.446 42 T N 0.533 115.149 114.554 0.104 0.000 2.720 42 T HA -0.207 4.159 4.350 0.026 0.000 0.268 42 T C 2.004 176.771 174.700 0.112 0.000 1.037 42 T CA 1.762 63.957 62.100 0.158 0.000 1.144 42 T CB -0.465 68.547 68.868 0.240 0.000 0.864 42 T HN 0.583 nan 8.240 nan 0.000 0.444 43 A N 1.157 124.026 122.820 0.082 0.000 1.929 43 A HA 0.319 4.655 4.320 0.026 0.000 0.216 43 A C 2.604 180.207 177.584 0.032 0.000 1.176 43 A CA 1.511 53.578 52.037 0.049 0.000 0.628 43 A CB -0.893 18.130 19.000 0.039 0.000 0.816 43 A HN 0.502 nan 8.150 nan 0.000 0.444 44 A N -1.837 121.010 122.820 0.045 0.000 1.969 44 A HA -0.040 4.296 4.320 0.026 0.000 0.218 44 A C 2.072 179.656 177.584 0.000 0.000 1.169 44 A CA 1.493 53.549 52.037 0.031 0.000 0.635 44 A CB -0.621 18.415 19.000 0.061 0.000 0.810 44 A HN 0.671 nan 8.150 nan 0.000 0.445 45 Y N 0.001 120.240 120.300 -0.102 0.000 2.337 45 Y HA -0.083 4.482 4.550 0.026 0.000 0.293 45 Y C 2.448 178.277 175.900 -0.118 0.000 1.123 45 Y CA 1.780 59.778 58.100 -0.169 0.000 1.201 45 Y CB -0.224 38.112 38.460 -0.206 0.000 1.011 45 Y HN 0.393 nan 8.280 nan 0.000 0.545 46 Q N 1.199 120.943 119.800 -0.093 0.000 2.152 46 Q HA -0.224 4.131 4.340 0.026 0.000 0.206 46 Q C 1.779 177.672 176.000 -0.179 0.000 0.985 46 Q CA 2.127 57.858 55.803 -0.120 0.000 0.863 46 Q CB -0.206 28.521 28.738 -0.018 0.000 0.904 46 Q HN 0.449 nan 8.270 nan 0.000 0.422 47 K N -0.335 119.972 120.400 -0.155 0.000 2.211 47 K HA -0.092 4.243 4.320 0.026 0.000 0.203 47 K C 1.805 178.302 176.600 -0.171 0.000 1.050 47 K CA 1.062 57.275 56.287 -0.123 0.000 0.945 47 K CB 0.120 32.578 32.500 -0.071 0.000 0.732 47 K HN 0.205 nan 8.250 nan 0.000 0.451 48 E N 0.708 120.719 120.200 -0.316 0.000 2.208 48 E HA -0.099 4.267 4.350 0.026 0.000 0.193 48 E C 1.552 177.965 176.600 -0.311 0.000 0.988 48 E CA 0.821 57.013 56.400 -0.347 0.000 0.828 48 E CB 0.040 29.345 29.700 -0.658 0.000 0.763 48 E HN 0.268 nan 8.360 nan 0.000 0.478 49 R N 0.612 120.874 120.500 -0.397 0.000 2.323 49 R HA 0.037 4.392 4.340 0.026 0.000 0.198 49 R C 2.135 178.375 176.300 -0.101 0.000 0.988 49 R CA 0.087 56.038 56.100 -0.248 0.000 1.041 49 R CB -0.101 30.055 30.300 -0.239 0.000 0.926 49 R HN -0.018 nan 8.270 nan 0.000 0.476 50 V N 0.594 120.456 119.914 -0.086 0.000 2.407 50 V HA -0.098 4.037 4.120 0.026 0.000 0.245 50 V C 0.811 176.901 176.094 -0.008 0.000 1.041 50 V CA 1.523 63.800 62.300 -0.038 0.000 1.040 50 V CB 0.245 32.046 31.823 -0.036 0.000 0.671 50 V HN 0.345 nan 8.190 nan 0.000 0.455 51 S N -1.744 113.954 115.700 -0.003 0.000 2.689 51 S HA 0.372 4.857 4.470 0.026 0.000 0.306 51 S C 0.338 174.965 174.600 0.044 0.000 1.104 51 S CA -0.600 57.613 58.200 0.021 0.000 0.973 51 S CB 1.542 64.755 63.200 0.020 0.000 1.121 51 S HN 0.316 nan 8.310 nan 0.000 0.523 52 Q N -0.073 119.759 119.800 0.053 0.000 2.488 52 Q HA -0.087 4.268 4.340 0.026 0.000 0.211 52 Q C 0.387 176.427 176.000 0.068 0.000 0.967 52 Q CA 0.692 56.535 55.803 0.067 0.000 0.926 52 Q CB -0.235 28.535 28.738 0.054 0.000 0.992 52 Q HN 0.660 nan 8.270 nan 0.000 0.506 53 D N 0.193 120.630 120.400 0.063 0.000 2.123 53 D HA -0.185 4.471 4.640 0.026 0.000 0.196 53 D C 1.355 177.703 176.300 0.081 0.000 0.992 53 D CA 0.867 54.899 54.000 0.054 0.000 0.833 53 D CB -0.352 40.476 40.800 0.048 0.000 0.954 53 D HN 0.221 nan 8.370 nan 0.000 0.455 54 F N 1.080 121.031 119.950 0.001 0.000 2.069 54 F HA -0.158 4.384 4.527 0.025 0.000 0.298 54 F C 2.105 177.928 175.800 0.039 0.000 1.113 54 F CA 1.306 59.321 58.000 0.025 0.000 1.214 54 F CB -0.320 38.706 39.000 0.044 0.000 0.978 54 F HN -0.085 nan 8.300 nan 0.000 0.474 55 L N -0.092 121.179 121.223 0.080 0.000 2.027 55 L HA -0.217 4.138 4.340 0.026 0.000 0.206 55 L C 2.175 178.994 176.870 -0.085 0.000 1.074 55 L CA 1.580 56.432 54.840 0.020 0.000 0.745 55 L CB -0.830 41.321 42.059 0.153 0.000 0.898 55 L HN 0.093 nan 8.230 nan 0.000 0.433 56 D N -0.195 120.178 120.400 -0.044 0.000 2.190 56 D HA -0.220 4.435 4.640 0.026 0.000 0.200 56 D C 1.781 178.016 176.300 -0.107 0.000 0.992 56 D CA 1.202 55.168 54.000 -0.058 0.000 0.854 56 D CB -0.052 40.731 40.800 -0.029 0.000 0.936 56 D HN 0.327 nan 8.370 nan 0.000 0.462 57 D N -0.479 119.822 120.400 -0.165 0.000 2.202 57 D HA -0.061 4.595 4.640 0.026 0.000 0.214 57 D C 2.204 178.345 176.300 -0.265 0.000 0.967 57 D CA -0.013 53.873 54.000 -0.191 0.000 0.871 57 D CB 0.046 40.725 40.800 -0.202 0.000 1.020 57 D HN 0.046 nan 8.370 nan 0.000 0.474 58 L N 1.683 122.660 121.223 -0.410 0.000 2.034 58 L HA -0.250 4.106 4.340 0.026 0.000 0.217 58 L C 1.759 178.484 176.870 -0.242 0.000 1.077 58 L CA 2.179 56.778 54.840 -0.401 0.000 0.769 58 L CB -0.741 41.009 42.059 -0.516 0.000 0.890 58 L HN -0.001 nan 8.230 nan 0.000 0.435 59 D N -1.596 118.698 120.400 -0.177 0.000 2.149 59 D HA -0.188 4.467 4.640 0.026 0.000 0.201 59 D C 2.323 178.566 176.300 -0.095 0.000 0.972 59 D CA 0.911 54.845 54.000 -0.111 0.000 0.835 59 D CB -0.070 40.683 40.800 -0.078 0.000 0.966 59 D HN 0.259 nan 8.370 nan 0.000 0.476 60 R N -0.434 120.005 120.500 -0.102 0.000 2.080 60 R HA -0.140 4.215 4.340 0.026 0.000 0.236 60 R C 2.340 178.580 176.300 -0.100 0.000 1.137 60 R CA 1.347 57.394 56.100 -0.088 0.000 0.943 60 R CB -0.530 29.712 30.300 -0.096 0.000 0.846 60 R HN 0.280 nan 8.270 nan 0.000 0.431 61 L N 1.575 122.712 121.223 -0.143 0.000 2.046 61 L HA -0.196 4.159 4.340 0.026 0.000 0.208 61 L C 2.176 178.944 176.870 -0.170 0.000 1.077 61 L CA 1.829 56.566 54.840 -0.172 0.000 0.747 61 L CB -0.374 41.548 42.059 -0.228 0.000 0.896 61 L HN 0.281 nan 8.230 nan 0.000 0.432 62 Q N -0.357 119.357 119.800 -0.143 0.000 2.403 62 Q HA 0.239 4.595 4.340 0.026 0.000 0.203 62 Q C 0.730 176.741 176.000 0.019 0.000 0.932 62 Q CA 0.361 56.117 55.803 -0.078 0.000 0.945 62 Q CB -0.281 28.401 28.738 -0.094 0.000 1.045 62 Q HN 0.451 nan 8.270 nan 0.000 0.511 63 A N 2.481 125.296 122.820 -0.008 0.000 2.545 63 A HA 0.035 4.370 4.320 0.026 0.000 0.253 63 A C 0.149 177.759 177.584 0.043 0.000 1.074 63 A CA 0.106 52.147 52.037 0.006 0.000 0.760 63 A CB -0.281 18.712 19.000 -0.011 0.000 1.005 63 A HN 0.627 nan 8.150 nan 0.000 0.506 64 N N 0.285 119.006 118.700 0.035 0.000 2.753 64 N HA -0.281 4.474 4.740 0.026 0.000 0.251 64 N C 0.211 175.747 175.510 0.043 0.000 1.097 64 N CA 1.866 54.932 53.050 0.026 0.000 0.786 64 N CB -1.510 36.986 38.487 0.014 0.000 1.137 64 N HN 0.902 nan 8.380 nan 0.000 0.566 65 Y N 0.146 120.415 120.300 -0.052 0.000 2.353 65 Y HA 0.428 4.993 4.550 0.025 0.000 0.294 65 Y C 1.334 177.203 175.900 -0.052 0.000 1.135 65 Y CA 1.631 59.698 58.100 -0.055 0.000 1.176 65 Y CB 0.385 38.804 38.460 -0.068 0.000 1.124 65 Y HN 0.156 nan 8.280 nan 0.000 0.537 66 A N -1.059 121.705 122.820 -0.094 0.000 3.165 66 A HA 0.576 4.911 4.320 0.026 0.000 0.212 66 A C 0.758 178.308 177.584 -0.057 0.000 0.935 66 A CA 0.258 52.206 52.037 -0.148 0.000 1.100 66 A CB -0.457 18.508 19.000 -0.058 0.000 1.260 66 A HN 0.896 nan 8.150 nan 0.000 0.532 67 G N -0.237 108.531 108.800 -0.053 0.000 2.253 67 G HA2 -0.151 3.825 3.960 0.026 0.000 0.209 67 G HA3 -0.151 3.825 3.960 0.026 0.000 0.209 67 G C 0.122 175.004 174.900 -0.029 0.000 0.997 67 G CA -0.331 44.740 45.100 -0.048 0.000 0.640 67 G HN 0.501 nan 8.290 nan 0.000 0.496 68 R N 1.237 121.732 120.500 -0.009 0.000 2.407 68 R HA 0.581 4.937 4.340 0.026 0.000 0.303 68 R C -2.707 173.592 176.300 -0.002 0.000 0.981 68 R CA -2.286 53.809 56.100 -0.008 0.000 0.905 68 R CB 1.386 31.679 30.300 -0.012 0.000 1.099 68 R HN 0.227 nan 8.270 nan 0.000 0.459 69 P HA 0.093 nan 4.420 nan 0.000 0.285 69 P C -0.272 177.029 177.300 0.003 0.000 1.259 69 P CA -0.464 62.636 63.100 0.001 0.000 0.794 69 P CB 1.013 32.718 31.700 0.008 0.000 0.940 70 S N 3.450 119.152 115.700 0.002 0.000 2.572 70 S HA 0.273 4.758 4.470 0.026 0.000 0.279 70 S C -2.329 172.287 174.600 0.028 0.000 1.341 70 S CA -0.871 57.329 58.200 0.001 0.000 1.043 70 S CB -0.767 62.430 63.200 -0.005 0.000 0.887 70 S HN 0.266 nan 8.310 nan 0.000 0.516 71 P HA 0.270 nan 4.420 nan 0.000 0.272 71 P C -0.927 176.441 177.300 0.114 0.000 1.223 71 P CA -0.541 62.600 63.100 0.070 0.000 0.784 71 P CB 0.354 32.092 31.700 0.063 0.000 0.923 72 L N 4.320 125.635 121.223 0.154 0.000 2.298 72 L HA 0.482 4.837 4.340 0.026 0.000 0.284 72 L C -1.409 175.634 176.870 0.288 0.000 1.013 72 L CA -0.714 54.256 54.840 0.217 0.000 0.824 72 L CB 0.255 42.431 42.059 0.194 0.000 1.221 72 L HN 0.243 nan 8.230 nan 0.000 0.418 73 Y N 3.921 124.301 120.300 0.133 0.000 2.364 73 Y HA 0.433 4.998 4.550 0.025 0.000 0.340 73 Y C -0.385 175.476 175.900 -0.066 0.000 0.975 73 Y CA -0.917 57.211 58.100 0.047 0.000 1.089 73 Y CB 1.333 39.795 38.460 0.004 0.000 1.192 73 Y HN 0.735 nan 8.280 nan 0.000 0.454 74 E N 4.692 124.340 120.200 -0.920 0.000 2.105 74 E HA 0.521 4.886 4.350 0.026 0.000 0.285 74 E C -0.930 174.947 176.600 -1.205 0.000 1.055 74 E CA -0.532 55.153 56.400 -1.191 0.000 0.843 74 E CB 0.506 29.529 29.700 -1.129 0.000 1.067 74 E HN 0.792 nan 8.360 nan 0.000 0.398 75 A N 4.252 126.590 122.820 -0.803 0.000 2.807 75 A HA 0.096 4.431 4.320 0.026 0.000 0.307 75 A C 1.198 178.600 177.584 -0.303 0.000 1.532 75 A CA -0.203 51.559 52.037 -0.458 0.000 1.215 75 A CB -0.355 18.552 19.000 -0.155 0.000 1.127 75 A HN 0.804 nan 8.150 nan 0.000 0.543 76 T N -0.400 113.976 114.554 -0.298 0.000 2.904 76 T HA -0.127 4.238 4.350 0.026 0.000 0.267 76 T C 1.666 176.307 174.700 -0.098 0.000 1.059 76 T CA 1.034 63.012 62.100 -0.204 0.000 1.137 76 T CB -0.195 68.563 68.868 -0.184 0.000 0.879 76 T HN 0.619 nan 8.240 nan 0.000 0.467 77 R N 0.637 121.108 120.500 -0.048 0.000 2.148 77 R HA 0.240 4.595 4.340 0.026 0.000 0.223 77 R C 2.408 178.748 176.300 0.067 0.000 1.088 77 R CA 0.691 56.797 56.100 0.011 0.000 0.985 77 R CB -0.518 29.803 30.300 0.035 0.000 0.880 77 R HN 0.413 nan 8.270 nan 0.000 0.451 78 L N 0.129 121.380 121.223 0.046 0.000 2.201 78 L HA -0.152 4.204 4.340 0.026 0.000 0.212 78 L C 2.534 179.439 176.870 0.059 0.000 1.105 78 L CA 0.745 55.640 54.840 0.092 0.000 0.775 78 L CB -0.557 41.521 42.059 0.031 0.000 0.913 78 L HN 0.186 nan 8.230 nan 0.000 0.440 79 S N 0.743 116.429 115.700 -0.022 0.000 2.390 79 S HA -0.343 4.142 4.470 0.026 0.000 0.234 79 S C 2.029 176.592 174.600 -0.062 0.000 1.063 79 S CA 2.372 60.544 58.200 -0.048 0.000 1.108 79 S CB -0.312 62.844 63.200 -0.074 0.000 0.975 79 S HN 0.684 nan 8.310 nan 0.000 0.442 80 Q N -0.964 118.762 119.800 -0.123 0.000 2.368 80 Q HA -0.163 4.192 4.340 0.026 0.000 0.210 80 Q C 1.021 176.812 176.000 -0.349 0.000 0.982 80 Q CA 1.640 57.291 55.803 -0.254 0.000 0.884 80 Q CB -0.583 27.952 28.738 -0.338 0.000 0.933 80 Q HN 0.742 nan 8.270 nan 0.000 0.460 81 H N -0.521 118.538 119.070 -0.018 0.000 2.594 81 H HA 0.458 5.031 4.556 0.027 0.000 0.279 81 H C 0.156 175.476 175.328 -0.012 0.000 1.042 81 H CA 0.523 56.563 56.048 -0.012 0.000 1.177 81 H CB 1.090 30.844 29.762 -0.013 0.000 1.524 81 H HN 0.373 nan 8.280 nan 0.000 0.537 82 A N 0.149 122.991 122.820 0.037 0.000 2.795 82 A HA 0.473 4.809 4.320 0.026 0.000 0.282 82 A C 1.406 178.994 177.584 0.006 0.000 0.964 82 A CA 0.001 52.054 52.037 0.026 0.000 1.045 82 A CB -0.259 18.757 19.000 0.026 0.000 1.174 82 A HN 0.289 nan 8.150 nan 0.000 0.493 83 G N -0.333 108.463 108.800 -0.007 0.000 2.187 83 G HA2 -0.190 3.785 3.960 0.026 0.000 0.261 83 G HA3 -0.190 3.785 3.960 0.026 0.000 0.261 83 G C 0.751 175.642 174.900 -0.016 0.000 1.000 83 G CA 0.590 45.684 45.100 -0.009 0.000 0.718 83 G HN 1.554 nan 8.290 nan 0.000 0.519 84 S N -2.681 113.002 115.700 -0.029 0.000 3.380 84 S HA -0.162 4.323 4.470 0.026 0.000 0.300 84 S C 1.362 175.954 174.600 -0.014 0.000 1.255 84 S CA 1.364 59.545 58.200 -0.031 0.000 0.963 84 S CB -1.665 61.514 63.200 -0.034 0.000 1.106 84 S HN 2.359 nan 8.310 nan 0.000 0.629 85 A N 0.957 123.777 122.820 -0.001 0.000 2.386 85 A HA 0.557 4.892 4.320 0.026 0.000 0.246 85 A C 0.592 178.180 177.584 0.007 0.000 1.089 85 A CA 0.050 52.096 52.037 0.015 0.000 0.790 85 A CB 0.296 19.314 19.000 0.030 0.000 1.042 85 A HN 0.485 nan 8.150 nan 0.000 0.497 86 R N 0.640 121.163 120.500 0.040 0.000 2.215 86 R HA 0.367 4.722 4.340 0.026 0.000 0.336 86 R C -1.051 175.289 176.300 0.066 0.000 0.996 86 R CA -0.480 55.628 56.100 0.013 0.000 0.847 86 R CB 0.763 31.125 30.300 0.102 0.000 1.127 86 R HN 0.483 nan 8.270 nan 0.000 0.465 87 I N 4.466 124.997 120.570 -0.064 0.000 2.315 87 I HA 0.266 4.451 4.170 0.026 0.000 0.291 87 I C -0.224 175.808 176.117 -0.142 0.000 1.006 87 I CA -0.749 60.544 61.300 -0.011 0.000 1.265 87 I CB 0.347 38.333 38.000 -0.023 0.000 1.387 87 I HN 0.433 nan 8.210 nan 0.000 0.475 88 F N 6.271 126.200 119.950 -0.035 0.000 2.426 88 F HA 0.487 5.029 4.527 0.025 0.000 0.348 88 F C 0.048 175.856 175.800 0.014 0.000 1.124 88 F CA -0.553 57.426 58.000 -0.034 0.000 1.008 88 F CB 1.463 40.451 39.000 -0.020 0.000 1.139 88 F HN 0.154 nan 8.300 nan 0.000 0.452 89 L N 4.226 125.563 121.223 0.191 0.000 2.265 89 L HA 0.419 4.774 4.340 0.026 0.000 0.289 89 L C -0.147 176.831 176.870 0.180 0.000 1.033 89 L CA -1.138 53.805 54.840 0.171 0.000 0.814 89 L CB 1.191 43.358 42.059 0.180 0.000 1.203 89 L HN 0.376 nan 8.230 nan 0.000 0.423 90 K N 3.962 124.444 120.400 0.137 0.000 2.349 90 K HA 0.131 4.466 4.320 0.026 0.000 0.289 90 K C -0.112 176.537 176.600 0.081 0.000 1.064 90 K CA 0.014 56.370 56.287 0.115 0.000 0.947 90 K CB 0.433 32.989 32.500 0.093 0.000 1.007 90 K HN 0.268 nan 8.250 nan 0.000 0.478 91 R N 4.489 125.033 120.500 0.074 0.000 3.956 91 R HA 0.083 4.438 4.340 0.026 0.000 0.237 91 R C -0.123 176.182 176.300 0.009 0.000 1.552 91 R CA -0.156 55.970 56.100 0.043 0.000 1.529 91 R CB 0.322 30.643 30.300 0.034 0.000 1.376 91 R HN 0.683 nan 8.270 nan 0.000 0.733 92 E N 0.845 121.051 120.200 0.009 0.000 2.418 92 E HA -0.126 4.239 4.350 0.026 0.000 0.197 92 E C 0.895 177.482 176.600 -0.022 0.000 1.026 92 E CA 0.663 57.054 56.400 -0.014 0.000 0.862 92 E CB 0.326 30.020 29.700 -0.010 0.000 0.799 92 E HN 0.495 nan 8.360 nan 0.000 0.518 93 D N 0.300 120.699 120.400 -0.002 0.000 2.312 93 D HA -0.153 4.502 4.640 0.026 0.000 0.211 93 D C 1.445 177.756 176.300 0.019 0.000 0.964 93 D CA 0.252 54.266 54.000 0.022 0.000 0.877 93 D CB -0.443 40.372 40.800 0.026 0.000 0.924 93 D HN 0.218 nan 8.370 nan 0.000 0.515 94 L N 0.701 121.894 121.223 -0.050 0.000 2.747 94 L HA 0.068 4.423 4.340 0.026 0.000 0.248 94 L C -0.300 176.356 176.870 -0.356 0.000 1.191 94 L CA -0.077 54.670 54.840 -0.155 0.000 1.003 94 L CB -0.793 41.196 42.059 -0.115 0.000 1.235 94 L HN -0.113 nan 8.230 nan 0.000 0.426 95 N N -0.168 118.348 118.700 -0.305 0.000 2.400 95 N HA 0.471 5.226 4.740 0.026 0.000 0.288 95 N C -0.245 175.140 175.510 -0.209 0.000 1.024 95 N CA -0.419 52.474 53.050 -0.262 0.000 0.894 95 N CB 1.328 39.722 38.487 -0.154 0.000 1.173 95 N HN 0.084 nan 8.380 nan 0.000 0.487 96 H N -1.294 117.846 119.070 0.116 0.000 4.325 96 H HA 0.259 4.831 4.556 0.025 0.000 0.440 96 H C -0.228 175.169 175.328 0.114 0.000 1.251 96 H CA -0.512 55.616 56.048 0.133 0.000 0.795 96 H CB -0.660 29.139 29.762 0.062 0.000 1.013 96 H HN 0.374 nan 8.280 nan 0.000 0.798 97 T N 0.800 115.478 114.554 0.206 0.000 2.741 97 T HA 0.307 4.673 4.350 0.026 0.000 0.237 97 T C 1.126 175.856 174.700 0.050 0.000 1.065 97 T CA 0.846 62.997 62.100 0.085 0.000 1.560 97 T CB -0.920 67.983 68.868 0.058 0.000 1.071 97 T HN 0.961 nan 8.240 nan 0.000 0.542 98 G N 3.053 111.878 108.800 0.041 0.000 2.163 98 G HA2 -0.295 3.681 3.960 0.026 0.000 0.207 98 G HA3 -0.295 3.681 3.960 0.026 0.000 0.207 98 G C 1.191 176.128 174.900 0.063 0.000 2.263 98 G CA 0.366 45.483 45.100 0.028 0.000 1.616 98 G HN 1.277 nan 8.290 nan 0.000 0.521 99 S N 0.774 116.504 115.700 0.049 0.000 2.470 99 S HA -0.352 4.133 4.470 0.026 0.000 0.255 99 S C 1.593 176.247 174.600 0.089 0.000 1.058 99 S CA 2.752 60.972 58.200 0.034 0.000 1.310 99 S CB -1.313 61.869 63.200 -0.030 0.000 1.222 99 S HN 1.843 nan 8.310 nan 0.000 0.431 100 H N 1.198 120.265 119.070 -0.005 0.000 1.452 100 H HA -0.252 4.319 4.556 0.024 0.000 0.090 100 H C 1.976 177.322 175.328 0.029 0.000 1.175 100 H CA 2.627 58.689 56.048 0.023 0.000 1.901 100 H CB -0.555 29.229 29.762 0.036 0.000 2.257 100 H HN 0.428 nan 8.280 nan 0.000 0.961 101 K N 0.392 120.942 120.400 0.250 0.000 2.155 101 K HA -0.017 4.318 4.320 0.026 0.000 0.203 101 K C 2.225 178.865 176.600 0.067 0.000 1.052 101 K CA 1.391 57.775 56.287 0.161 0.000 0.948 101 K CB 0.006 32.571 32.500 0.110 0.000 0.728 101 K HN 0.531 nan 8.250 nan 0.000 0.448 102 I N 1.472 122.067 120.570 0.042 0.000 2.399 102 I HA -0.256 3.929 4.170 0.026 0.000 0.254 102 I C 1.355 177.441 176.117 -0.051 0.000 1.146 102 I CA 1.224 62.523 61.300 -0.001 0.000 1.412 102 I CB -1.391 36.643 38.000 0.057 0.000 1.076 102 I HN 0.056 nan 8.210 nan 0.000 0.432 103 N N 2.327 121.007 118.700 -0.033 0.000 2.051 103 N HA -0.211 4.544 4.740 0.026 0.000 0.192 103 N C 1.719 177.103 175.510 -0.209 0.000 1.049 103 N CA 1.874 54.865 53.050 -0.098 0.000 0.845 103 N CB -0.973 37.489 38.487 -0.042 0.000 1.031 103 N HN 0.470 nan 8.380 nan 0.000 0.425 104 N N 1.474 120.131 118.700 -0.071 0.000 2.049 104 N HA -0.161 4.594 4.740 0.026 0.000 0.198 104 N C 1.512 176.898 175.510 -0.207 0.000 1.030 104 N CA 1.748 54.787 53.050 -0.018 0.000 0.870 104 N CB -0.506 38.075 38.487 0.157 0.000 1.045 104 N HN 0.033 nan 8.380 nan 0.000 0.434 105 V N -0.033 119.771 119.914 -0.183 0.000 2.490 105 V HA -0.129 4.006 4.120 0.026 0.000 0.250 105 V C 2.244 178.178 176.094 -0.268 0.000 1.061 105 V CA 1.123 63.283 62.300 -0.233 0.000 1.064 105 V CB -0.580 31.119 31.823 -0.205 0.000 0.670 105 V HN 0.339 nan 8.190 nan 0.000 0.461 106 L N 0.995 122.047 121.223 -0.285 0.000 2.162 106 L HA 0.203 4.558 4.340 0.026 0.000 0.205 106 L C 2.455 179.124 176.870 -0.334 0.000 1.086 106 L CA 1.922 56.585 54.840 -0.296 0.000 0.778 106 L CB -1.553 40.333 42.059 -0.289 0.000 0.928 106 L HN 0.299 nan 8.230 nan 0.000 0.446 107 G N -1.081 107.428 108.800 -0.486 0.000 2.469 107 G HA2 -0.307 3.668 3.960 0.026 0.000 0.219 107 G HA3 -0.307 3.668 3.960 0.026 0.000 0.219 107 G C 1.462 176.377 174.900 0.025 0.000 1.150 107 G CA 0.799 45.617 45.100 -0.471 0.000 0.763 107 G HN 0.461 nan 8.290 nan 0.000 0.561 108 Q N 0.006 119.741 119.800 -0.108 0.000 2.020 108 Q HA 0.093 4.449 4.340 0.026 0.000 0.198 108 Q C 3.118 178.829 176.000 -0.481 0.000 0.974 108 Q CA 1.043 56.721 55.803 -0.209 0.000 0.829 108 Q CB -0.302 28.280 28.738 -0.260 0.000 0.894 108 Q HN 0.441 nan 8.270 nan 0.000 0.433 109 A N 1.145 123.727 122.820 -0.396 0.000 1.917 109 A HA -0.225 4.110 4.320 0.026 0.000 0.219 109 A C 2.076 179.510 177.584 -0.250 0.000 1.182 109 A CA 1.455 53.279 52.037 -0.355 0.000 0.633 109 A CB -0.782 18.061 19.000 -0.261 0.000 0.819 109 A HN 0.348 nan 8.150 nan 0.000 0.448 110 L N -0.508 120.615 121.223 -0.166 0.000 2.042 110 L HA -0.128 4.228 4.340 0.026 0.000 0.210 110 L C 2.289 179.214 176.870 0.092 0.000 1.076 110 L CA 1.792 56.597 54.840 -0.058 0.000 0.749 110 L CB -0.476 41.506 42.059 -0.129 0.000 0.893 110 L HN 0.480 nan 8.230 nan 0.000 0.432 111 L N -0.983 120.326 121.223 0.144 0.000 2.017 111 L HA -0.198 4.158 4.340 0.026 0.000 0.208 111 L C 2.539 179.394 176.870 -0.026 0.000 1.073 111 L CA 1.659 56.581 54.840 0.137 0.000 0.745 111 L CB -0.661 41.453 42.059 0.091 0.000 0.894 111 L HN 0.402 nan 8.230 nan 0.000 0.432 112 A N 0.571 123.184 122.820 -0.345 0.000 1.927 112 A HA -0.342 3.994 4.320 0.026 0.000 0.220 112 A C 2.236 179.797 177.584 -0.038 0.000 1.185 112 A CA 2.405 54.312 52.037 -0.217 0.000 0.639 112 A CB -0.663 18.037 19.000 -0.500 0.000 0.820 112 A HN 0.585 nan 8.150 nan 0.000 0.451 113 R N -0.018 120.443 120.500 -0.065 0.000 2.062 113 R HA -0.086 4.269 4.340 0.026 0.000 0.231 113 R C 2.082 178.398 176.300 0.026 0.000 1.136 113 R CA 1.977 58.066 56.100 -0.019 0.000 0.948 113 R CB -0.555 29.718 30.300 -0.045 0.000 0.845 113 R HN 0.490 nan 8.270 nan 0.000 0.430 114 R N 0.031 120.565 120.500 0.056 0.000 2.241 114 R HA 0.027 4.382 4.340 0.026 0.000 0.224 114 R C 1.700 178.044 176.300 0.075 0.000 1.101 114 R CA 1.451 57.596 56.100 0.076 0.000 0.995 114 R CB -0.248 30.124 30.300 0.120 0.000 0.870 114 R HN 0.348 nan 8.270 nan 0.000 0.463 115 M N -0.080 119.574 119.600 0.090 0.000 2.628 115 M HA 0.173 4.668 4.480 0.026 0.000 0.232 115 M C 0.870 177.225 176.300 0.092 0.000 1.128 115 M CA 0.527 55.890 55.300 0.105 0.000 1.040 115 M CB 0.479 33.177 32.600 0.164 0.000 1.608 115 M HN 0.405 nan 8.290 nan 0.000 0.507 116 G N 1.301 110.143 108.800 0.071 0.000 2.180 116 G HA2 -0.270 3.705 3.960 0.026 0.000 0.263 116 G HA3 -0.270 3.705 3.960 0.026 0.000 0.263 116 G C 0.113 175.058 174.900 0.075 0.000 0.989 116 G CA 0.315 45.451 45.100 0.061 0.000 0.692 116 G HN 0.333 nan 8.290 nan 0.000 0.526 117 K N 0.085 120.546 120.400 0.101 0.000 2.336 117 K HA 0.482 4.817 4.320 0.026 0.000 0.262 117 K C 1.743 178.387 176.600 0.073 0.000 0.992 117 K CA 0.760 57.118 56.287 0.118 0.000 0.927 117 K CB 0.609 33.225 32.500 0.194 0.000 0.956 117 K HN 0.442 nan 8.250 nan 0.000 0.495 118 T N -1.641 112.958 114.554 0.075 0.000 3.004 118 T HA 0.235 4.600 4.350 0.026 0.000 0.266 118 T C 0.244 174.969 174.700 0.040 0.000 0.986 118 T CA -0.472 61.656 62.100 0.046 0.000 0.902 118 T CB 0.180 69.071 68.868 0.039 0.000 1.118 118 T HN 0.472 nan 8.240 nan 0.000 0.522 119 R N 0.409 120.948 120.500 0.065 0.000 2.668 119 R HA 0.694 5.050 4.340 0.026 0.000 0.272 119 R C -2.379 173.974 176.300 0.089 0.000 1.019 119 R CA -0.589 55.551 56.100 0.066 0.000 0.894 119 R CB 2.317 32.668 30.300 0.084 0.000 1.228 119 R HN 0.093 nan 8.270 nan 0.000 0.460 120 V N 5.279 125.230 119.914 0.062 0.000 2.888 120 V HA 0.554 4.689 4.120 0.026 0.000 0.309 120 V C -0.250 175.881 176.094 0.061 0.000 1.114 120 V CA -0.783 61.557 62.300 0.066 0.000 0.940 120 V CB 1.997 33.813 31.823 -0.012 0.000 1.021 120 V HN 0.757 nan 8.190 nan 0.000 0.426 121 I N 1.108 121.732 120.570 0.091 0.000 2.892 121 I HA 1.070 5.255 4.170 0.026 0.000 0.306 121 I C -0.486 175.706 176.117 0.125 0.000 1.078 121 I CA -0.762 60.636 61.300 0.163 0.000 1.032 121 I CB 2.281 40.495 38.000 0.357 0.000 1.229 121 I HN 0.826 nan 8.210 nan 0.000 0.435 122 A N 3.287 126.233 122.820 0.210 0.000 2.540 122 A HA 0.661 4.996 4.320 0.026 0.000 0.291 122 A C -1.555 176.215 177.584 0.310 0.000 1.083 122 A CA -0.591 51.569 52.037 0.206 0.000 0.650 122 A CB 1.692 20.749 19.000 0.096 0.000 1.292 122 A HN 0.905 nan 8.150 nan 0.000 0.435 123 E N 0.200 120.576 120.200 0.293 0.000 2.299 123 E HA 0.789 5.155 4.350 0.026 0.000 0.265 123 E C -1.056 175.665 176.600 0.203 0.000 0.911 123 E CA -0.566 55.969 56.400 0.226 0.000 0.789 123 E CB 2.114 31.892 29.700 0.131 0.000 1.246 123 E HN 0.919 nan 8.360 nan 0.000 0.427 124 T N -0.094 114.546 114.554 0.143 0.000 2.942 124 T HA 0.555 4.920 4.350 0.026 0.000 0.327 124 T C 0.023 174.768 174.700 0.076 0.000 1.360 124 T CA 0.059 62.233 62.100 0.123 0.000 1.055 124 T CB 1.298 70.249 68.868 0.138 0.000 1.261 124 T HN 0.540 nan 8.240 nan 0.000 0.485 125 G N 1.626 110.461 108.800 0.058 0.000 2.568 125 G HA2 0.451 4.427 3.960 0.026 0.000 0.212 125 G HA3 0.451 4.427 3.960 0.026 0.000 0.212 125 G C 1.735 176.657 174.900 0.037 0.000 1.821 125 G CA 0.583 45.708 45.100 0.041 0.000 0.904 125 G HN 1.115 nan 8.290 nan 0.000 0.566 126 A N -0.813 122.026 122.820 0.032 0.000 2.032 126 A HA 0.295 4.631 4.320 0.026 0.000 0.221 126 A C 2.066 179.665 177.584 0.026 0.000 1.165 126 A CA 2.368 54.420 52.037 0.025 0.000 0.645 126 A CB -0.675 18.337 19.000 0.021 0.000 0.807 126 A HN 2.074 nan 8.150 nan 0.000 0.453 127 G N -2.900 105.922 108.800 0.037 0.000 2.260 127 G HA2 -0.196 3.780 3.960 0.026 0.000 0.179 127 G HA3 -0.196 3.780 3.960 0.026 0.000 0.179 127 G C 0.704 175.622 174.900 0.030 0.000 1.002 127 G CA 0.569 45.688 45.100 0.031 0.000 0.677 127 G HN 0.438 nan 8.290 nan 0.000 0.486 128 Q N -0.266 119.557 119.800 0.040 0.000 2.170 128 Q HA 0.035 4.390 4.340 0.026 0.000 0.203 128 Q C 1.900 177.929 176.000 0.048 0.000 0.976 128 Q CA 1.938 57.761 55.803 0.033 0.000 0.858 128 Q CB -0.296 28.459 28.738 0.030 0.000 0.907 128 Q HN 0.804 nan 8.270 nan 0.000 0.433 129 H N -0.688 118.375 119.070 -0.012 0.000 2.448 129 H HA 0.140 4.712 4.556 0.026 0.000 0.292 129 H C 1.948 177.256 175.328 -0.033 0.000 1.035 129 H CA 1.255 57.291 56.048 -0.021 0.000 1.349 129 H CB -0.193 29.562 29.762 -0.012 0.000 1.425 129 H HN 0.238 nan 8.280 nan 0.000 0.539 130 G N 0.063 108.838 108.800 -0.042 0.000 2.422 130 G HA2 -0.191 3.784 3.960 0.026 0.000 0.218 130 G HA3 -0.191 3.784 3.960 0.026 0.000 0.218 130 G C 1.655 176.482 174.900 -0.121 0.000 1.140 130 G CA 1.016 46.059 45.100 -0.095 0.000 0.775 130 G HN 0.351 nan 8.290 nan 0.000 0.545 131 V N 1.487 121.352 119.914 -0.082 0.000 2.270 131 V HA -0.088 4.047 4.120 0.026 0.000 0.245 131 V C 3.329 179.367 176.094 -0.093 0.000 1.043 131 V CA 1.949 64.208 62.300 -0.068 0.000 1.014 131 V CB -0.902 30.898 31.823 -0.038 0.000 0.645 131 V HN 0.455 nan 8.190 nan 0.000 0.447 132 A N -0.140 122.612 122.820 -0.113 0.000 1.892 132 A HA -0.283 4.053 4.320 0.026 0.000 0.218 132 A C 2.391 179.857 177.584 -0.197 0.000 1.188 132 A CA 2.801 54.760 52.037 -0.129 0.000 0.631 132 A CB -1.146 17.776 19.000 -0.130 0.000 0.822 132 A HN 0.513 nan 8.150 nan 0.000 0.447 133 T N 0.122 114.484 114.554 -0.319 0.000 2.746 133 T HA -0.013 4.353 4.350 0.026 0.000 0.267 133 T C 2.193 176.781 174.700 -0.187 0.000 1.039 133 T CA 1.634 63.547 62.100 -0.313 0.000 1.142 133 T CB -0.434 68.175 68.868 -0.432 0.000 0.866 133 T HN 0.623 nan 8.240 nan 0.000 0.444 134 A N 1.181 123.913 122.820 -0.146 0.000 1.930 134 A HA -0.087 4.248 4.320 0.026 0.000 0.217 134 A C 2.548 180.085 177.584 -0.078 0.000 1.175 134 A CA 1.920 53.898 52.037 -0.098 0.000 0.627 134 A CB -1.172 17.781 19.000 -0.079 0.000 0.815 134 A HN 0.461 nan 8.150 nan 0.000 0.443 135 T N 0.504 115.018 114.554 -0.067 0.000 2.652 135 T HA -0.083 4.282 4.350 0.026 0.000 0.267 135 T C 2.280 176.950 174.700 -0.051 0.000 1.039 135 T CA 1.859 63.945 62.100 -0.024 0.000 1.153 135 T CB -0.593 68.286 68.868 0.018 0.000 0.863 135 T HN 0.609 nan 8.240 nan 0.000 0.428 136 A N 0.790 123.548 122.820 -0.103 0.000 1.892 136 A HA -0.185 4.151 4.320 0.026 0.000 0.218 136 A C 2.739 180.230 177.584 -0.155 0.000 1.188 136 A CA 1.933 53.871 52.037 -0.165 0.000 0.631 136 A CB -1.428 17.455 19.000 -0.195 0.000 0.822 136 A HN 0.676 nan 8.150 nan 0.000 0.447 137 C N -1.056 118.166 119.300 -0.129 0.000 2.429 137 C HA 0.087 4.562 4.460 0.026 0.000 0.277 137 C C 3.303 178.242 174.990 -0.085 0.000 1.262 137 C CA 0.597 59.550 59.018 -0.107 0.000 1.733 137 C CB -1.501 26.183 27.740 -0.092 0.000 2.010 137 C HN 0.714 nan 8.230 nan 0.000 0.483 138 A N 0.494 123.273 122.820 -0.069 0.000 1.908 138 A HA -0.161 4.175 4.320 0.026 0.000 0.218 138 A C 2.062 179.607 177.584 -0.065 0.000 1.181 138 A CA 1.833 53.840 52.037 -0.051 0.000 0.627 138 A CB -0.700 18.283 19.000 -0.028 0.000 0.818 138 A HN 0.491 nan 8.150 nan 0.000 0.445 139 L N -0.612 120.556 121.223 -0.092 0.000 2.017 139 L HA -0.056 4.300 4.340 0.026 0.000 0.208 139 L C 2.062 178.845 176.870 -0.145 0.000 1.073 139 L CA 1.855 56.610 54.840 -0.142 0.000 0.745 139 L CB -0.464 41.426 42.059 -0.280 0.000 0.894 139 L HN 0.372 nan 8.230 nan 0.000 0.432 140 L N -0.695 120.441 121.223 -0.145 0.000 2.529 140 L HA 0.308 4.663 4.340 0.026 0.000 0.223 140 L C 0.983 177.799 176.870 -0.091 0.000 1.113 140 L CA 0.447 55.209 54.840 -0.131 0.000 0.861 140 L CB -0.286 41.684 42.059 -0.149 0.000 1.012 140 L HN 0.509 nan 8.230 nan 0.000 0.461 141 G N 1.276 110.029 108.800 -0.078 0.000 2.452 141 G HA2 -0.211 3.764 3.960 0.026 0.000 0.275 141 G HA3 -0.211 3.764 3.960 0.026 0.000 0.275 141 G C -0.636 174.236 174.900 -0.046 0.000 1.131 141 G CA -0.411 44.656 45.100 -0.055 0.000 1.031 141 G HN 0.144 nan 8.290 nan 0.000 0.511 142 L N 0.601 121.795 121.223 -0.049 0.000 2.436 142 L HA 0.430 4.785 4.340 0.026 0.000 0.268 142 L C 0.055 176.907 176.870 -0.031 0.000 0.974 142 L CA -1.269 53.548 54.840 -0.037 0.000 0.826 142 L CB 1.681 43.709 42.059 -0.052 0.000 1.291 142 L HN 0.137 nan 8.230 nan 0.000 0.406 143 D N 1.039 121.431 120.400 -0.013 0.000 2.364 143 D HA 0.163 4.818 4.640 0.026 0.000 0.236 143 D C -0.375 175.916 176.300 -0.014 0.000 1.221 143 D CA 0.366 54.359 54.000 -0.011 0.000 0.891 143 D CB 1.715 42.517 40.800 0.004 0.000 1.190 143 D HN 0.497 nan 8.370 nan 0.000 0.449 144 C N 0.643 119.930 119.300 -0.022 0.000 3.090 144 C HA 0.549 5.024 4.460 0.026 0.000 0.347 144 C C -1.556 173.407 174.990 -0.044 0.000 1.147 144 C CA -0.385 58.615 59.018 -0.030 0.000 1.305 144 C CB 0.809 28.516 27.740 -0.055 0.000 1.692 144 C HN 0.361 nan 8.230 nan 0.000 0.506 145 V N 5.929 125.813 119.914 -0.049 0.000 2.709 145 V HA 0.647 4.782 4.120 0.026 0.000 0.308 145 V C -0.658 175.343 176.094 -0.155 0.000 1.062 145 V CA -0.442 61.784 62.300 -0.123 0.000 0.901 145 V CB 1.875 33.616 31.823 -0.137 0.000 1.003 145 V HN 0.807 nan 8.190 nan 0.000 0.425 146 I N 3.536 123.965 120.570 -0.234 0.000 2.498 146 I HA 0.452 4.637 4.170 0.026 0.000 0.290 146 I C -1.270 174.694 176.117 -0.255 0.000 1.032 146 I CA -0.591 60.615 61.300 -0.157 0.000 1.073 146 I CB 2.114 40.069 38.000 -0.076 0.000 1.251 146 I HN 0.573 nan 8.210 nan 0.000 0.426 147 Y N 5.608 125.936 120.300 0.047 0.000 2.335 147 Y HA 0.459 5.024 4.550 0.025 0.000 0.339 147 Y C 0.406 176.323 175.900 0.029 0.000 0.987 147 Y CA -0.287 57.835 58.100 0.037 0.000 1.140 147 Y CB 1.418 39.901 38.460 0.038 0.000 1.173 147 Y HN 0.341 nan 8.280 nan 0.000 0.486 148 M N 2.328 122.000 119.600 0.120 0.000 2.393 148 M HA 0.429 4.924 4.480 0.026 0.000 0.316 148 M C 0.299 176.644 176.300 0.074 0.000 1.087 148 M CA -0.734 54.612 55.300 0.076 0.000 0.937 148 M CB 1.889 34.510 32.600 0.034 0.000 1.668 148 M HN 0.855 nan 8.290 nan 0.000 0.438 149 G N 1.254 110.088 108.800 0.056 0.000 2.398 149 G HA2 0.298 4.273 3.960 0.026 0.000 0.246 149 G HA3 0.298 4.273 3.960 0.026 0.000 0.246 149 G C 0.931 175.851 174.900 0.035 0.000 1.289 149 G CA 0.130 45.256 45.100 0.043 0.000 0.869 149 G HN 1.023 nan 8.290 nan 0.000 0.543 150 G N 1.779 110.599 108.800 0.033 0.000 2.606 150 G HA2 -0.279 3.697 3.960 0.026 0.000 0.221 150 G HA3 -0.279 3.697 3.960 0.026 0.000 0.221 150 G C 1.369 176.281 174.900 0.019 0.000 1.152 150 G CA 1.031 46.147 45.100 0.026 0.000 0.765 150 G HN 0.520 nan 8.290 nan 0.000 0.595 151 I N 0.534 121.115 120.570 0.017 0.000 3.645 151 I HA 0.061 4.246 4.170 0.026 0.000 0.300 151 I C 1.756 177.881 176.117 0.014 0.000 1.260 151 I CA 0.302 61.610 61.300 0.013 0.000 1.365 151 I CB -0.352 37.654 38.000 0.011 0.000 1.077 151 I HN 0.060 nan 8.210 nan 0.000 0.439 152 D N 1.209 121.619 120.400 0.017 0.000 2.123 152 D HA -0.145 4.511 4.640 0.026 0.000 0.196 152 D C 1.976 178.285 176.300 0.016 0.000 0.992 152 D CA 1.655 55.666 54.000 0.018 0.000 0.833 152 D CB 0.109 40.923 40.800 0.023 0.000 0.954 152 D HN 0.260 nan 8.370 nan 0.000 0.455 153 T N 1.028 115.592 114.554 0.016 0.000 2.569 153 T HA -0.148 4.217 4.350 0.026 0.000 0.263 153 T C 1.935 176.640 174.700 0.008 0.000 1.074 153 T CA 1.790 63.897 62.100 0.012 0.000 1.176 153 T CB -0.469 68.406 68.868 0.012 0.000 0.863 153 T HN 0.191 nan 8.240 nan 0.000 0.410 154 A N 1.752 124.577 122.820 0.008 0.000 2.239 154 A HA 0.008 4.343 4.320 0.026 0.000 0.209 154 A C 1.878 179.465 177.584 0.006 0.000 1.171 154 A CA 0.533 52.574 52.037 0.006 0.000 0.768 154 A CB -0.600 18.404 19.000 0.006 0.000 0.790 154 A HN 0.678 nan 8.150 nan 0.000 0.478 155 R N -0.350 120.154 120.500 0.007 0.000 2.613 155 R HA 0.189 4.545 4.340 0.026 0.000 0.361 155 R C -0.608 175.695 176.300 0.006 0.000 1.072 155 R CA -0.153 55.950 56.100 0.006 0.000 1.089 155 R CB 0.050 30.354 30.300 0.007 0.000 1.343 155 R HN 0.448 nan 8.270 nan 0.000 0.571 156 Q N -0.023 119.781 119.800 0.005 0.000 3.853 156 Q HA 0.287 4.643 4.340 0.026 0.000 0.220 156 Q C -0.093 175.908 176.000 0.001 0.000 0.826 156 Q CA 0.034 55.839 55.803 0.003 0.000 0.821 156 Q CB 1.235 29.975 28.738 0.004 0.000 1.546 156 Q HN 0.163 nan 8.270 nan 0.000 0.410 157 A N 1.462 124.282 122.820 -0.000 0.000 2.084 157 A HA -0.185 4.150 4.320 0.026 0.000 0.221 157 A C 1.934 179.515 177.584 -0.005 0.000 1.161 157 A CA 1.909 53.945 52.037 -0.003 0.000 0.653 157 A CB -0.526 18.472 19.000 -0.002 0.000 0.802 157 A HN 0.650 nan 8.150 nan 0.000 0.457 158 L N -2.063 119.158 121.223 -0.005 0.000 2.023 158 L HA -0.019 4.337 4.340 0.026 0.000 0.205 158 L C 1.966 178.830 176.870 -0.009 0.000 1.073 158 L CA 1.774 56.610 54.840 -0.006 0.000 0.745 158 L CB -0.880 41.176 42.059 -0.005 0.000 0.900 158 L HN 0.051 nan 8.230 nan 0.000 0.435 159 N N 0.444 119.140 118.700 -0.007 0.000 2.331 159 N HA -0.065 4.690 4.740 0.026 0.000 0.180 159 N C 1.943 177.445 175.510 -0.013 0.000 1.019 159 N CA 1.345 54.390 53.050 -0.009 0.000 0.881 159 N CB -0.316 38.169 38.487 -0.004 0.000 0.972 159 N HN 0.239 nan 8.380 nan 0.000 0.435 160 V N 1.148 121.055 119.914 -0.011 0.000 2.407 160 V HA -0.162 3.973 4.120 0.026 0.000 0.248 160 V C 2.402 178.485 176.094 -0.018 0.000 1.055 160 V CA 1.690 63.980 62.300 -0.016 0.000 1.049 160 V CB -1.006 30.809 31.823 -0.012 0.000 0.662 160 V HN 0.246 nan 8.190 nan 0.000 0.455 161 A N 0.520 123.331 122.820 -0.015 0.000 1.858 161 A HA -0.198 4.137 4.320 0.026 0.000 0.216 161 A C 2.404 179.978 177.584 -0.018 0.000 1.190 161 A CA 1.779 53.807 52.037 -0.015 0.000 0.617 161 A CB -0.524 18.469 19.000 -0.012 0.000 0.827 161 A HN 0.485 nan 8.150 nan 0.000 0.443 162 R N -0.790 119.700 120.500 -0.018 0.000 2.112 162 R HA -0.229 4.126 4.340 0.026 0.000 0.242 162 R C 2.312 178.597 176.300 -0.026 0.000 1.137 162 R CA 2.072 58.159 56.100 -0.021 0.000 0.944 162 R CB -0.681 29.606 30.300 -0.021 0.000 0.857 162 R HN 0.587 nan 8.270 nan 0.000 0.435 163 M N -0.070 119.512 119.600 -0.029 0.000 2.080 163 M HA -0.181 4.315 4.480 0.026 0.000 0.260 163 M C 2.384 178.662 176.300 -0.037 0.000 1.068 163 M CA 1.809 57.087 55.300 -0.038 0.000 1.109 163 M CB -0.332 32.242 32.600 -0.043 0.000 1.342 163 M HN 0.070 nan 8.290 nan 0.000 0.405 164 R N 0.382 120.863 120.500 -0.032 0.000 2.092 164 R HA 0.004 4.359 4.340 0.026 0.000 0.231 164 R C 2.118 178.403 176.300 -0.025 0.000 1.119 164 R CA 1.085 57.167 56.100 -0.029 0.000 0.970 164 R CB -0.485 29.800 30.300 -0.025 0.000 0.864 164 R HN 0.320 nan 8.270 nan 0.000 0.440 165 L N 0.430 121.639 121.223 -0.022 0.000 2.081 165 L HA -0.238 4.118 4.340 0.026 0.000 0.212 165 L C 1.911 178.768 176.870 -0.020 0.000 1.080 165 L CA 1.274 56.103 54.840 -0.019 0.000 0.754 165 L CB -0.338 41.710 42.059 -0.018 0.000 0.893 165 L HN 0.245 nan 8.230 nan 0.000 0.433 166 L N -0.780 120.428 121.223 -0.025 0.000 2.552 166 L HA 0.061 4.416 4.340 0.026 0.000 0.227 166 L C 1.388 178.241 176.870 -0.029 0.000 1.146 166 L CA 0.631 55.456 54.840 -0.026 0.000 0.858 166 L CB -0.296 41.744 42.059 -0.031 0.000 0.969 166 L HN 0.492 nan 8.230 nan 0.000 0.451 167 G N -0.177 108.606 108.800 -0.029 0.000 2.131 167 G HA2 -0.180 3.796 3.960 0.026 0.000 0.223 167 G HA3 -0.180 3.796 3.960 0.026 0.000 0.223 167 G C 0.147 175.025 174.900 -0.036 0.000 0.990 167 G CA -0.119 44.963 45.100 -0.029 0.000 0.671 167 G HN 0.445 nan 8.290 nan 0.000 0.521 168 A N 0.027 122.821 122.820 -0.043 0.000 2.260 168 A HA 0.743 5.078 4.320 0.026 0.000 0.314 168 A C 0.264 177.811 177.584 -0.060 0.000 1.257 168 A CA -0.279 51.725 52.037 -0.055 0.000 0.871 168 A CB 0.712 19.674 19.000 -0.064 0.000 1.166 168 A HN 0.424 nan 8.150 nan 0.000 0.522 169 E N 1.614 121.775 120.200 -0.065 0.000 2.614 169 E HA 0.181 4.546 4.350 0.026 0.000 0.245 169 E C -0.508 176.021 176.600 -0.118 0.000 1.039 169 E CA 0.616 56.969 56.400 -0.078 0.000 0.948 169 E CB 0.091 29.748 29.700 -0.072 0.000 0.937 169 E HN 0.340 nan 8.360 nan 0.000 0.498 170 V N 5.840 125.695 119.914 -0.098 0.000 2.364 170 V HA 0.161 4.296 4.120 0.026 0.000 0.272 170 V C -0.198 175.827 176.094 -0.115 0.000 1.036 170 V CA -0.742 61.490 62.300 -0.113 0.000 0.880 170 V CB 1.422 33.204 31.823 -0.069 0.000 0.991 170 V HN 0.377 nan 8.190 nan 0.000 0.460 171 V N 5.051 124.850 119.914 -0.191 0.000 2.318 171 V HA 0.523 4.659 4.120 0.026 0.000 0.271 171 V C 0.681 176.756 176.094 -0.031 0.000 1.030 171 V CA -0.486 61.732 62.300 -0.137 0.000 0.844 171 V CB 1.212 32.872 31.823 -0.272 0.000 1.015 171 V HN 0.914 nan 8.190 nan 0.000 0.460 172 A N 5.885 128.710 122.820 0.008 0.000 2.391 172 A HA 0.642 4.978 4.320 0.026 0.000 0.316 172 A C -0.127 177.491 177.584 0.056 0.000 1.381 172 A CA -0.385 51.670 52.037 0.031 0.000 0.998 172 A CB 0.127 19.136 19.000 0.015 0.000 1.147 172 A HN 0.742 nan 8.150 nan 0.000 0.545 173 V N 3.023 122.986 119.914 0.082 0.000 2.383 173 V HA 0.209 4.344 4.120 0.026 0.000 0.275 173 V C 0.560 176.689 176.094 0.058 0.000 1.036 173 V CA -0.633 61.724 62.300 0.095 0.000 0.889 173 V CB 0.858 32.770 31.823 0.147 0.000 0.985 173 V HN 0.919 nan 8.190 nan 0.000 0.459 174 Q N 2.087 121.916 119.800 0.048 0.000 2.063 174 Q HA 0.029 4.384 4.340 0.026 0.000 0.194 174 Q C 1.280 177.296 176.000 0.026 0.000 0.974 174 Q CA 1.211 57.034 55.803 0.033 0.000 0.827 174 Q CB -0.656 28.099 28.738 0.029 0.000 0.902 174 Q HN 1.023 nan 8.270 nan 0.000 0.462 175 T N 1.224 115.794 114.554 0.026 0.000 2.425 175 T HA 0.072 4.437 4.350 0.026 0.000 0.225 175 T C 0.874 175.582 174.700 0.013 0.000 1.154 175 T CA 0.483 62.594 62.100 0.019 0.000 3.796 175 T CB -1.636 67.244 68.868 0.020 0.000 0.622 175 T HN 0.668 nan 8.240 nan 0.000 0.223 176 G N 2.943 111.749 108.800 0.010 0.000 2.804 176 G HA2 -0.022 3.954 3.960 0.026 0.000 0.230 176 G HA3 -0.022 3.954 3.960 0.026 0.000 0.230 176 G C 1.023 175.926 174.900 0.005 0.000 1.386 176 G CA 0.652 45.755 45.100 0.006 0.000 0.875 176 G HN 2.253 nan 8.290 nan 0.000 0.557 177 S N -0.671 115.031 115.700 0.002 0.000 2.793 177 S HA -0.456 4.029 4.470 0.026 0.000 0.357 177 S C 1.839 176.442 174.600 0.005 0.000 1.447 177 S CA 3.076 61.277 58.200 0.002 0.000 1.077 177 S CB -0.582 62.617 63.200 -0.003 0.000 1.075 177 S HN 2.372 nan 8.310 nan 0.000 0.454 178 K N -0.645 119.760 120.400 0.009 0.000 3.553 178 K HA -0.124 4.211 4.320 0.026 0.000 0.303 178 K C 0.192 176.800 176.600 0.014 0.000 1.327 178 K CA 1.686 57.981 56.287 0.014 0.000 0.983 178 K CB -2.828 29.680 32.500 0.013 0.000 1.275 178 K HN 0.864 nan 8.250 nan 0.000 0.453 179 T N 0.557 115.117 114.554 0.010 0.000 3.516 179 T HA 0.462 4.827 4.350 0.026 0.000 0.245 179 T C 0.830 175.534 174.700 0.007 0.000 1.077 179 T CA 0.241 62.346 62.100 0.009 0.000 1.222 179 T CB 0.579 69.451 68.868 0.007 0.000 1.045 179 T HN 0.208 nan 8.240 nan 0.000 0.585 180 L N -0.118 121.111 121.223 0.009 0.000 2.156 180 L HA -0.240 4.116 4.340 0.026 0.000 0.480 180 L C 1.190 178.048 176.870 -0.021 0.000 0.709 180 L CA 1.950 56.793 54.840 0.005 0.000 3.262 180 L CB -1.056 41.008 42.059 0.007 0.000 0.626 180 L HN 0.191 nan 8.230 nan 0.000 0.780 181 K N 0.546 120.930 120.400 -0.027 0.000 2.097 181 K HA 0.006 4.341 4.320 0.026 0.000 0.206 181 K C 1.637 178.200 176.600 -0.062 0.000 1.049 181 K CA 1.788 58.046 56.287 -0.048 0.000 0.933 181 K CB -0.642 31.839 32.500 -0.032 0.000 0.717 181 K HN 0.658 nan 8.250 nan 0.000 0.442 182 D N 0.428 120.806 120.400 -0.036 0.000 2.219 182 D HA -0.053 4.602 4.640 0.026 0.000 0.205 182 D C 1.608 177.876 176.300 -0.053 0.000 0.970 182 D CA 0.932 54.911 54.000 -0.034 0.000 0.851 182 D CB 0.350 41.145 40.800 -0.008 0.000 0.943 182 D HN 0.149 nan 8.370 nan 0.000 0.488 183 A N 1.173 123.968 122.820 -0.041 0.000 1.855 183 A HA -0.060 4.276 4.320 0.026 0.000 0.213 183 A C 2.264 179.750 177.584 -0.164 0.000 1.195 183 A CA 0.357 52.380 52.037 -0.023 0.000 0.610 183 A CB -0.658 18.392 19.000 0.082 0.000 0.837 183 A HN 0.115 nan 8.150 nan 0.000 0.444 184 I N 0.400 120.845 120.570 -0.209 0.000 2.161 184 I HA -0.419 3.766 4.170 0.026 0.000 0.246 184 I C 2.220 177.941 176.117 -0.659 0.000 1.048 184 I CA 2.022 63.020 61.300 -0.503 0.000 1.314 184 I CB -0.673 37.040 38.000 -0.479 0.000 1.014 184 I HN 0.331 nan 8.210 nan 0.000 0.418 185 N N 0.174 118.676 118.700 -0.328 0.000 2.142 185 N HA -0.135 4.620 4.740 0.026 0.000 0.186 185 N C 1.780 177.208 175.510 -0.136 0.000 1.023 185 N CA 1.027 53.983 53.050 -0.157 0.000 0.852 185 N CB -0.082 38.366 38.487 -0.065 0.000 0.998 185 N HN 0.333 nan 8.380 nan 0.000 0.424 186 E N 0.408 120.449 120.200 -0.265 0.000 2.107 186 E HA -0.015 4.351 4.350 0.026 0.000 0.191 186 E C 1.893 178.111 176.600 -0.635 0.000 0.982 186 E CA 0.746 56.918 56.400 -0.380 0.000 0.809 186 E CB -0.421 29.024 29.700 -0.425 0.000 0.756 186 E HN 0.345 nan 8.360 nan 0.000 0.459 187 A N 1.433 123.777 122.820 -0.794 0.000 1.858 187 A HA -0.176 4.159 4.320 0.026 0.000 0.216 187 A C 2.035 179.625 177.584 0.010 0.000 1.190 187 A CA 1.267 52.997 52.037 -0.512 0.000 0.617 187 A CB -0.818 18.060 19.000 -0.204 0.000 0.827 187 A HN 0.122 nan 8.150 nan 0.000 0.443 188 F N 0.366 120.254 119.950 -0.104 0.000 2.126 188 F HA -0.162 4.380 4.527 0.025 0.000 0.299 188 F C 2.564 178.367 175.800 0.005 0.000 1.096 188 F CA 1.326 59.321 58.000 -0.009 0.000 1.255 188 F CB -0.891 38.079 39.000 -0.050 0.000 0.997 188 F HN 0.231 nan 8.300 nan 0.000 0.479 189 R N -0.200 120.382 120.500 0.136 0.000 2.081 189 R HA -0.167 4.189 4.340 0.026 0.000 0.235 189 R C 1.952 178.306 176.300 0.091 0.000 1.131 189 R CA 1.426 57.568 56.100 0.069 0.000 0.960 189 R CB -0.724 29.584 30.300 0.014 0.000 0.856 189 R HN 0.210 nan 8.270 nan 0.000 0.436 190 D N 0.371 120.829 120.400 0.097 0.000 2.092 190 D HA -0.210 4.445 4.640 0.026 0.000 0.193 190 D C 1.636 178.099 176.300 0.271 0.000 0.994 190 D CA 1.011 55.117 54.000 0.178 0.000 0.828 190 D CB -0.170 40.754 40.800 0.207 0.000 0.963 190 D HN 0.197 nan 8.370 nan 0.000 0.450 191 W N 1.444 122.805 121.300 0.101 0.000 2.355 191 W HA -0.168 4.507 4.660 0.025 0.000 0.309 191 W C 2.217 178.769 176.519 0.054 0.000 1.206 191 W CA 1.346 58.756 57.345 0.109 0.000 1.284 191 W CB -0.847 28.687 29.460 0.124 0.000 1.145 191 W HN -0.127 nan 8.180 nan 0.000 0.502 192 V N 1.787 121.711 119.914 0.016 0.000 2.287 192 V HA -0.307 3.828 4.120 0.026 0.000 0.248 192 V C 2.666 178.744 176.094 -0.026 0.000 1.053 192 V CA 2.555 64.780 62.300 -0.125 0.000 1.027 192 V CB -1.955 29.794 31.823 -0.123 0.000 0.646 192 V HN 0.256 nan 8.190 nan 0.000 0.447 193 A N 0.427 123.271 122.820 0.039 0.000 1.884 193 A HA -0.268 4.067 4.320 0.026 0.000 0.219 193 A C 1.933 179.562 177.584 0.074 0.000 1.197 193 A CA 2.461 54.532 52.037 0.056 0.000 0.637 193 A CB -0.545 18.502 19.000 0.078 0.000 0.827 193 A HN 0.618 nan 8.150 nan 0.000 0.450 194 N N -0.956 117.821 118.700 0.127 0.000 2.203 194 N HA 0.255 5.010 4.740 0.026 0.000 0.207 194 N C 1.298 176.911 175.510 0.172 0.000 1.130 194 N CA 0.720 53.858 53.050 0.148 0.000 0.861 194 N CB 0.206 38.799 38.487 0.178 0.000 1.005 194 N HN 0.434 nan 8.380 nan 0.000 0.507 195 A N 0.619 123.534 122.820 0.159 0.000 2.214 195 A HA -0.196 4.139 4.320 0.026 0.000 0.221 195 A C 1.809 179.487 177.584 0.156 0.000 1.167 195 A CA 1.315 53.457 52.037 0.174 0.000 0.670 195 A CB -0.228 18.782 19.000 0.017 0.000 0.797 195 A HN 0.188 nan 8.150 nan 0.000 0.477 196 D N -0.935 119.537 120.400 0.120 0.000 2.305 196 D HA -0.070 4.585 4.640 0.026 0.000 0.206 196 D C 1.412 177.780 176.300 0.113 0.000 0.974 196 D CA 1.177 55.237 54.000 0.099 0.000 0.871 196 D CB 0.048 40.889 40.800 0.069 0.000 0.947 196 D HN 0.807 nan 8.370 nan 0.000 0.516 197 N N -0.970 117.810 118.700 0.133 0.000 2.297 197 N HA -0.037 4.719 4.740 0.026 0.000 0.208 197 N C 0.010 175.618 175.510 0.163 0.000 1.176 197 N CA -0.030 53.097 53.050 0.127 0.000 0.882 197 N CB 0.635 39.183 38.487 0.101 0.000 1.134 197 N HN -0.212 nan 8.380 nan 0.000 0.489 198 T N 1.125 115.807 114.554 0.214 0.000 2.837 198 T HA 0.264 4.629 4.350 0.026 0.000 0.285 198 T C -1.556 173.338 174.700 0.323 0.000 0.984 198 T CA -0.225 62.028 62.100 0.256 0.000 1.049 198 T CB 1.311 70.349 68.868 0.283 0.000 0.947 198 T HN 0.139 nan 8.240 nan 0.000 0.472 199 Y N 2.934 123.294 120.300 0.101 0.000 2.377 199 Y HA 0.479 5.044 4.550 0.025 0.000 0.339 199 Y C -0.843 174.944 175.900 -0.189 0.000 1.011 199 Y CA -1.765 56.345 58.100 0.018 0.000 1.093 199 Y CB 0.883 39.345 38.460 0.002 0.000 1.201 199 Y HN 0.684 nan 8.280 nan 0.000 0.455 200 Y N 6.484 126.229 120.300 -0.925 0.000 2.365 200 Y HA 0.354 4.919 4.550 0.025 0.000 0.340 200 Y C -0.503 175.253 175.900 -0.240 0.000 1.016 200 Y CA -0.969 56.640 58.100 -0.818 0.000 1.196 200 Y CB 0.348 37.745 38.460 -1.772 0.000 1.167 200 Y HN 0.823 nan 8.280 nan 0.000 0.509 201 C N 10.243 129.188 119.300 -0.592 0.000 2.281 201 C HA 0.483 4.959 4.460 0.026 0.000 0.336 201 C C -0.327 174.256 174.990 -0.678 0.000 1.217 201 C CA -1.188 57.565 59.018 -0.443 0.000 1.730 201 C CB -2.700 24.906 27.740 -0.222 0.000 2.338 201 C HN 0.745 nan 8.230 nan 0.000 0.521 202 F N 4.533 124.220 119.950 -0.437 0.000 2.377 202 F HA 0.811 5.353 4.527 0.025 0.000 0.328 202 F C 0.628 176.333 175.800 -0.160 0.000 1.094 202 F CA -0.846 56.954 58.000 -0.334 0.000 1.093 202 F CB 0.892 39.899 39.000 0.012 0.000 1.214 202 F HN 0.693 nan 8.300 nan 0.000 0.518 203 G N 0.372 109.067 108.800 -0.176 0.000 3.990 203 G HA2 -0.009 3.966 3.960 0.026 0.000 0.213 203 G HA3 -0.009 3.966 3.960 0.026 0.000 0.213 203 G C 0.102 174.812 174.900 -0.316 0.000 0.849 203 G CA 0.002 44.974 45.100 -0.214 0.000 0.857 203 G HN 1.012 nan 8.290 nan 0.000 0.484 204 T N 0.168 114.413 114.554 -0.515 0.000 2.928 204 T HA 0.522 4.887 4.350 0.026 0.000 0.305 204 T C 1.738 176.426 174.700 -0.020 0.000 1.035 204 T CA 0.915 62.905 62.100 -0.183 0.000 1.145 204 T CB 1.733 70.521 68.868 -0.133 0.000 0.963 204 T HN 1.088 nan 8.240 nan 0.000 0.545 205 A N 3.382 126.261 122.820 0.098 0.000 1.978 205 A HA 0.186 4.521 4.320 0.026 0.000 0.220 205 A C 2.521 180.251 177.584 0.244 0.000 1.170 205 A CA 1.478 53.653 52.037 0.230 0.000 0.636 205 A CB -1.136 17.958 19.000 0.156 0.000 0.810 205 A HN 1.333 nan 8.150 nan 0.000 0.448 206 A N -0.842 122.059 122.820 0.135 0.000 2.238 206 A HA 0.471 4.806 4.320 0.026 0.000 0.208 206 A C 1.254 178.917 177.584 0.131 0.000 1.177 206 A CA 0.818 52.930 52.037 0.125 0.000 0.804 206 A CB -0.620 18.419 19.000 0.065 0.000 0.823 206 A HN 0.692 nan 8.150 nan 0.000 0.482 207 G N -0.677 108.184 108.800 0.103 0.000 2.601 207 G HA2 0.545 4.520 3.960 0.026 0.000 0.317 207 G HA3 0.545 4.520 3.960 0.026 0.000 0.317 207 G C -3.196 171.753 174.900 0.082 0.000 1.246 207 G CA -1.883 43.270 45.100 0.089 0.000 1.012 207 G HN 0.018 nan 8.290 nan 0.000 0.494 208 P HA 0.176 nan 4.420 nan 0.000 0.271 208 P C -0.687 176.513 177.300 -0.167 0.000 1.216 208 P CA 0.136 63.309 63.100 0.122 0.000 0.771 208 P CB 0.339 32.174 31.700 0.225 0.000 0.864 209 H N 3.347 122.315 119.070 -0.171 0.000 2.360 209 H HA 0.190 4.763 4.556 0.028 0.000 0.233 209 H C -1.798 173.226 175.328 -0.507 0.000 1.473 209 H CA -1.505 54.319 56.048 -0.375 0.000 1.352 209 H CB 0.311 29.924 29.762 -0.249 0.000 1.493 209 H HN 0.376 nan 8.280 nan 0.000 0.533 210 P HA -0.005 nan 4.420 nan 0.000 0.236 210 P C -0.162 176.519 177.300 -1.031 0.000 1.177 210 P CA 0.679 63.251 63.100 -0.880 0.000 0.773 210 P CB 0.177 31.188 31.700 -1.148 0.000 0.878 211 F N -1.405 118.357 119.950 -0.313 0.000 2.584 211 F HA 0.368 4.911 4.527 0.026 0.000 0.328 211 F C -1.904 173.727 175.800 -0.281 0.000 1.407 211 F CA -2.302 55.550 58.000 -0.246 0.000 1.145 211 F CB 0.862 39.746 39.000 -0.192 0.000 1.440 211 F HN -0.138 nan 8.300 nan 0.000 0.580 212 P HA -0.091 nan 4.420 nan 0.000 0.218 212 P C 1.686 178.949 177.300 -0.063 0.000 1.149 212 P CA 1.427 64.471 63.100 -0.093 0.000 0.817 212 P CB 0.267 31.917 31.700 -0.083 0.000 0.785 213 T N -0.969 113.566 114.554 -0.032 0.000 2.904 213 T HA -0.068 4.297 4.350 0.026 0.000 0.267 213 T C 1.676 176.311 174.700 -0.107 0.000 1.059 213 T CA 0.865 62.955 62.100 -0.017 0.000 1.137 213 T CB -0.575 68.331 68.868 0.062 0.000 0.879 213 T HN 0.086 nan 8.240 nan 0.000 0.467 214 M N 1.027 120.471 119.600 -0.259 0.000 2.086 214 M HA -0.120 4.375 4.480 0.026 0.000 0.261 214 M C 2.194 178.004 176.300 -0.816 0.000 1.067 214 M CA 1.567 56.414 55.300 -0.755 0.000 1.116 214 M CB -0.417 31.575 32.600 -1.014 0.000 1.348 214 M HN 0.101 nan 8.290 nan 0.000 0.407 215 V N 0.789 120.439 119.914 -0.439 0.000 2.250 215 V HA -0.376 3.760 4.120 0.026 0.000 0.250 215 V C 2.394 178.453 176.094 -0.059 0.000 1.060 215 V CA 2.351 64.539 62.300 -0.186 0.000 1.030 215 V CB -1.047 30.801 31.823 0.041 0.000 0.643 215 V HN 0.527 nan 8.190 nan 0.000 0.445 216 R N -0.405 120.070 120.500 -0.041 0.000 2.119 216 R HA -0.230 4.126 4.340 0.026 0.000 0.246 216 R C 2.109 178.435 176.300 0.042 0.000 1.146 216 R CA 2.169 58.281 56.100 0.019 0.000 0.962 216 R CB -0.448 29.863 30.300 0.018 0.000 0.863 216 R HN 0.561 nan 8.270 nan 0.000 0.442 217 D N -0.573 119.830 120.400 0.007 0.000 2.149 217 D HA -0.114 4.542 4.640 0.026 0.000 0.201 217 D C 1.642 178.089 176.300 0.245 0.000 0.972 217 D CA 0.875 54.930 54.000 0.091 0.000 0.835 217 D CB -0.143 40.755 40.800 0.164 0.000 0.966 217 D HN 0.065 nan 8.370 nan 0.000 0.476 218 F N 1.474 121.504 119.950 0.133 0.000 2.161 218 F HA -0.134 4.408 4.527 0.025 0.000 0.300 218 F C 2.338 178.185 175.800 0.079 0.000 1.089 218 F CA 0.770 58.845 58.000 0.124 0.000 1.282 218 F CB -0.994 38.078 39.000 0.120 0.000 1.010 218 F HN 0.009 nan 8.300 nan 0.000 0.485 219 Q N 0.426 120.377 119.800 0.251 0.000 2.297 219 Q HA -0.179 4.176 4.340 0.026 0.000 0.208 219 Q C 2.059 178.129 176.000 0.116 0.000 0.981 219 Q CA 1.065 56.957 55.803 0.148 0.000 0.876 219 Q CB -0.838 27.963 28.738 0.105 0.000 0.921 219 Q HN 0.462 nan 8.270 nan 0.000 0.446 220 R N 0.148 120.719 120.500 0.118 0.000 2.237 220 R HA 0.064 4.419 4.340 0.026 0.000 0.219 220 R C 2.204 178.564 176.300 0.099 0.000 1.080 220 R CA 0.426 56.587 56.100 0.101 0.000 0.995 220 R CB -0.343 29.974 30.300 0.029 0.000 0.875 220 R HN 0.234 nan 8.270 nan 0.000 0.462 221 I N 0.986 121.614 120.570 0.096 0.000 2.502 221 I HA -0.306 3.880 4.170 0.026 0.000 0.258 221 I C 2.026 178.173 176.117 0.049 0.000 1.172 221 I CA 1.357 62.693 61.300 0.060 0.000 1.430 221 I CB -0.184 37.842 38.000 0.044 0.000 1.086 221 I HN 0.193 nan 8.210 nan 0.000 0.440 222 I N 0.250 120.857 120.570 0.061 0.000 2.179 222 I HA -0.204 3.981 4.170 0.026 0.000 0.242 222 I C 2.587 178.758 176.117 0.091 0.000 1.088 222 I CA 1.688 63.025 61.300 0.062 0.000 1.357 222 I CB -0.812 37.218 38.000 0.050 0.000 1.051 222 I HN 0.252 nan 8.210 nan 0.000 0.409 223 G N 0.302 109.170 108.800 0.114 0.000 2.430 223 G HA2 -0.112 3.864 3.960 0.026 0.000 0.216 223 G HA3 -0.112 3.864 3.960 0.026 0.000 0.216 223 G C 1.738 176.641 174.900 0.006 0.000 1.146 223 G CA 0.123 45.325 45.100 0.170 0.000 0.793 223 G HN 0.172 nan 8.290 nan 0.000 0.537 224 M N 0.319 119.917 119.600 -0.004 0.000 2.117 224 M HA -0.025 4.471 4.480 0.026 0.000 0.262 224 M C 2.447 178.723 176.300 -0.040 0.000 1.065 224 M CA 1.421 56.690 55.300 -0.052 0.000 1.114 224 M CB -0.282 32.312 32.600 -0.009 0.000 1.361 224 M HN 0.256 nan 8.290 nan 0.000 0.408 225 E N 0.391 120.594 120.200 0.004 0.000 2.072 225 E HA -0.105 4.261 4.350 0.026 0.000 0.190 225 E C 2.102 178.723 176.600 0.035 0.000 0.982 225 E CA 1.154 57.562 56.400 0.013 0.000 0.803 225 E CB -0.145 29.569 29.700 0.024 0.000 0.755 225 E HN 0.498 nan 8.360 nan 0.000 0.453 226 A N 1.383 124.252 122.820 0.082 0.000 2.015 226 A HA -0.147 4.189 4.320 0.026 0.000 0.219 226 A C 2.065 179.760 177.584 0.186 0.000 1.163 226 A CA 1.095 53.224 52.037 0.153 0.000 0.646 226 A CB -0.322 18.829 19.000 0.251 0.000 0.806 226 A HN 0.042 nan 8.150 nan 0.000 0.448 227 R N -0.425 120.120 120.500 0.075 0.000 2.090 227 R HA -0.050 4.305 4.340 0.026 0.000 0.228 227 R C 1.828 178.120 176.300 -0.014 0.000 1.110 227 R CA 1.490 57.569 56.100 -0.035 0.000 0.973 227 R CB -0.254 29.748 30.300 -0.496 0.000 0.869 227 R HN 0.310 nan 8.270 nan 0.000 0.440 228 V N 0.986 120.882 119.914 -0.030 0.000 2.307 228 V HA -0.240 3.895 4.120 0.026 0.000 0.245 228 V C 2.226 178.315 176.094 -0.008 0.000 1.045 228 V CA 1.818 64.106 62.300 -0.021 0.000 1.024 228 V CB -0.470 31.341 31.823 -0.021 0.000 0.651 228 V HN 0.416 nan 8.190 nan 0.000 0.449 229 Q N -0.931 118.873 119.800 0.007 0.000 2.079 229 Q HA -0.150 4.205 4.340 0.026 0.000 0.200 229 Q C 2.238 178.205 176.000 -0.054 0.000 0.974 229 Q CA 1.679 57.483 55.803 0.003 0.000 0.840 229 Q CB -0.241 28.518 28.738 0.035 0.000 0.898 229 Q HN 0.567 nan 8.270 nan 0.000 0.430 230 I N 1.015 121.535 120.570 -0.083 0.000 2.394 230 I HA -0.258 3.928 4.170 0.026 0.000 0.251 230 I C 1.778 177.772 176.117 -0.204 0.000 1.136 230 I CA 1.570 62.710 61.300 -0.267 0.000 1.425 230 I CB -0.048 37.821 38.000 -0.219 0.000 1.079 230 I HN 0.172 nan 8.210 nan 0.000 0.425 231 Q N -0.285 119.465 119.800 -0.083 0.000 2.123 231 Q HA -0.017 4.339 4.340 0.026 0.000 0.199 231 Q C 2.231 178.202 176.000 -0.049 0.000 0.966 231 Q CA 1.250 57.018 55.803 -0.057 0.000 0.845 231 Q CB -0.566 28.158 28.738 -0.023 0.000 0.907 231 Q HN 0.609 nan 8.270 nan 0.000 0.439 232 G N 1.048 109.825 108.800 -0.037 0.000 2.402 232 G HA2 -0.256 3.720 3.960 0.026 0.000 0.216 232 G HA3 -0.256 3.720 3.960 0.026 0.000 0.216 232 G C 1.317 176.212 174.900 -0.009 0.000 1.162 232 G CA 0.439 45.529 45.100 -0.016 0.000 0.777 232 G HN 0.247 nan 8.290 nan 0.000 0.539 233 Q N -0.340 119.444 119.800 -0.026 0.000 2.212 233 Q HA 0.266 4.622 4.340 0.026 0.000 0.199 233 Q C 2.522 178.541 176.000 0.032 0.000 0.950 233 Q CA 0.957 56.785 55.803 0.042 0.000 0.863 233 Q CB 0.114 28.934 28.738 0.137 0.000 0.944 233 Q HN 0.479 nan 8.270 nan 0.000 0.465 234 A N -0.793 121.946 122.820 -0.135 0.000 2.288 234 A HA 0.435 4.771 4.320 0.026 0.000 0.216 234 A C 1.421 178.985 177.584 -0.034 0.000 1.199 234 A CA 0.641 52.624 52.037 -0.091 0.000 0.891 234 A CB 0.373 19.160 19.000 -0.355 0.000 0.923 234 A HN 0.371 nan 8.150 nan 0.000 0.500 235 G N -0.111 108.665 108.800 -0.040 0.000 2.176 235 G HA2 -0.260 3.715 3.960 0.026 0.000 0.253 235 G HA3 -0.260 3.715 3.960 0.026 0.000 0.253 235 G C 0.232 175.120 174.900 -0.021 0.000 0.979 235 G CA 0.674 45.765 45.100 -0.016 0.000 0.641 235 G HN 1.291 nan 8.290 nan 0.000 0.530 236 R N -2.087 118.390 120.500 -0.039 0.000 2.741 236 R HA 0.722 5.078 4.340 0.026 0.000 0.274 236 R C -0.757 175.525 176.300 -0.030 0.000 1.029 236 R CA -1.337 54.749 56.100 -0.024 0.000 0.880 236 R CB 0.247 30.539 30.300 -0.013 0.000 1.264 236 R HN 0.145 nan 8.270 nan 0.000 0.465 237 L N 2.638 123.864 121.223 0.005 0.000 2.514 237 L HA 0.228 4.583 4.340 0.026 0.000 0.280 237 L C -1.754 175.112 176.870 -0.007 0.000 1.223 237 L CA -1.415 53.449 54.840 0.040 0.000 0.864 237 L CB -0.570 41.535 42.059 0.077 0.000 1.118 237 L HN 0.636 nan 8.230 nan 0.000 0.494 238 P HA 0.099 nan 4.420 nan 0.000 0.274 238 P C -0.134 177.131 177.300 -0.059 0.000 1.246 238 P CA -0.409 62.641 63.100 -0.083 0.000 0.795 238 P CB 0.893 32.496 31.700 -0.162 0.000 1.006 239 D N -0.467 119.909 120.400 -0.040 0.000 2.269 239 D HA 0.118 4.773 4.640 0.026 0.000 0.208 239 D C 0.567 176.837 176.300 -0.051 0.000 0.963 239 D CA 1.214 55.197 54.000 -0.030 0.000 0.864 239 D CB 0.272 41.069 40.800 -0.005 0.000 0.936 239 D HN 0.496 nan 8.370 nan 0.000 0.505 240 A N -0.243 122.530 122.820 -0.079 0.000 2.590 240 A HA 0.482 4.817 4.320 0.026 0.000 0.296 240 A C -1.484 176.024 177.584 -0.127 0.000 1.050 240 A CA -0.589 51.397 52.037 -0.085 0.000 0.697 240 A CB 1.435 20.428 19.000 -0.013 0.000 1.277 240 A HN -0.105 nan 8.150 nan 0.000 0.411 241 V N 1.388 121.219 119.914 -0.138 0.000 2.638 241 V HA 0.731 4.866 4.120 0.026 0.000 0.306 241 V C -0.686 175.506 176.094 0.163 0.000 1.052 241 V CA -0.527 61.709 62.300 -0.107 0.000 0.885 241 V CB 1.763 33.365 31.823 -0.368 0.000 0.999 241 V HN 0.933 nan 8.190 nan 0.000 0.424 242 V N 3.121 123.164 119.914 0.214 0.000 2.841 242 V HA 0.979 5.114 4.120 0.026 0.000 0.310 242 V C -0.251 175.991 176.094 0.246 0.000 1.090 242 V CA -0.231 62.260 62.300 0.318 0.000 0.930 242 V CB 2.127 34.151 31.823 0.335 0.000 1.014 242 V HN 1.117 nan 8.190 nan 0.000 0.425 243 A N 2.380 125.368 122.820 0.280 0.000 2.572 243 A HA 0.675 5.010 4.320 0.026 0.000 0.295 243 A C -0.797 176.930 177.584 0.239 0.000 1.072 243 A CA -0.439 51.656 52.037 0.096 0.000 0.691 243 A CB 1.551 20.354 19.000 -0.328 0.000 1.291 243 A HN 1.093 nan 8.150 nan 0.000 0.404 244 C N 1.721 121.133 119.300 0.186 0.000 2.585 244 C HA 0.434 4.909 4.460 0.026 0.000 0.406 244 C C 1.622 176.694 174.990 0.135 0.000 1.312 244 C CA 0.081 59.216 59.018 0.194 0.000 1.924 244 C CB -0.376 27.453 27.740 0.148 0.000 2.578 244 C HN 0.721 nan 8.230 nan 0.000 0.580 245 V N 5.829 125.843 119.914 0.166 0.000 3.041 245 V HA 0.069 4.204 4.120 0.026 0.000 0.260 245 V C 2.239 178.384 176.094 0.085 0.000 1.105 245 V CA 2.136 64.537 62.300 0.168 0.000 1.125 245 V CB -0.378 31.577 31.823 0.220 0.000 0.730 245 V HN 1.116 nan 8.190 nan 0.000 0.479 246 G N -0.311 108.510 108.800 0.036 0.000 2.848 246 G HA2 -0.001 3.975 3.960 0.026 0.000 0.208 246 G HA3 -0.001 3.975 3.960 0.026 0.000 0.208 246 G C 1.366 176.275 174.900 0.016 0.000 1.152 246 G CA 0.577 45.681 45.100 0.005 0.000 0.789 246 G HN 0.578 nan 8.290 nan 0.000 0.531 247 G N -0.183 108.635 108.800 0.030 0.000 2.848 247 G HA2 0.373 4.348 3.960 0.026 0.000 0.208 247 G HA3 0.373 4.348 3.960 0.026 0.000 0.208 247 G C 1.259 176.179 174.900 0.033 0.000 1.152 247 G CA 0.532 45.651 45.100 0.031 0.000 0.789 247 G HN 0.993 nan 8.290 nan 0.000 0.531 248 G N 0.190 109.013 108.800 0.039 0.000 2.582 248 G HA2 -0.186 3.790 3.960 0.026 0.000 0.288 248 G HA3 -0.186 3.790 3.960 0.026 0.000 0.288 248 G C 0.513 175.440 174.900 0.045 0.000 1.247 248 G CA 0.679 45.806 45.100 0.044 0.000 0.972 248 G HN 1.590 nan 8.290 nan 0.000 0.557 249 S N 0.583 116.312 115.700 0.047 0.000 2.457 249 S HA 0.590 5.075 4.470 0.026 0.000 0.289 249 S C 0.719 175.345 174.600 0.044 0.000 1.163 249 S CA 0.692 58.923 58.200 0.052 0.000 1.078 249 S CB 1.723 64.959 63.200 0.059 0.000 0.987 249 S HN 2.154 nan 8.310 nan 0.000 0.482 250 N N 1.701 120.417 118.700 0.027 0.000 2.824 250 N HA -0.223 4.533 4.740 0.026 0.000 0.167 250 N C 1.108 176.611 175.510 -0.011 0.000 1.603 250 N CA 1.124 54.186 53.050 0.021 0.000 2.474 250 N CB -1.718 36.792 38.487 0.038 0.000 1.239 250 N HN 0.703 nan 8.380 nan 0.000 0.867 251 A N 1.944 124.754 122.820 -0.017 0.000 1.855 251 A HA 0.256 4.591 4.320 0.026 0.000 0.213 251 A C 2.235 179.711 177.584 -0.181 0.000 1.195 251 A CA 1.248 53.249 52.037 -0.059 0.000 0.610 251 A CB -0.585 18.406 19.000 -0.016 0.000 0.837 251 A HN 0.365 nan 8.150 nan 0.000 0.444 252 I N 0.267 120.759 120.570 -0.130 0.000 2.493 252 I HA -0.177 4.008 4.170 0.026 0.000 0.254 252 I C 2.442 178.466 176.117 -0.154 0.000 1.160 252 I CA 1.154 62.340 61.300 -0.190 0.000 1.445 252 I CB -0.702 37.372 38.000 0.123 0.000 1.086 252 I HN 0.431 nan 8.210 nan 0.000 0.433 253 G N 0.973 109.745 108.800 -0.047 0.000 2.499 253 G HA2 -0.288 3.687 3.960 0.026 0.000 0.221 253 G HA3 -0.288 3.687 3.960 0.026 0.000 0.221 253 G C 1.705 176.629 174.900 0.039 0.000 1.109 253 G CA 0.412 45.530 45.100 0.031 0.000 0.749 253 G HN 0.452 nan 8.290 nan 0.000 0.568 254 I N -0.618 119.901 120.570 -0.085 0.000 2.614 254 I HA -0.048 4.138 4.170 0.026 0.000 0.258 254 I C 1.818 178.072 176.117 0.229 0.000 1.189 254 I CA 0.609 61.920 61.300 0.018 0.000 1.462 254 I CB 0.009 37.956 38.000 -0.088 0.000 1.092 254 I HN 0.119 nan 8.210 nan 0.000 0.442 255 F N -0.426 119.665 119.950 0.234 0.000 2.293 255 F HA -0.148 4.394 4.527 0.024 0.000 0.297 255 F C 2.523 178.490 175.800 0.279 0.000 1.089 255 F CA 1.056 59.207 58.000 0.252 0.000 1.377 255 F CB -1.297 37.782 39.000 0.132 0.000 1.051 255 F HN 0.217 nan 8.300 nan 0.000 0.511 256 H N 0.316 119.580 119.070 0.323 0.000 2.353 256 H HA -0.082 4.489 4.556 0.025 0.000 0.300 256 H C 2.129 177.518 175.328 0.102 0.000 1.090 256 H CA 1.459 57.622 56.048 0.191 0.000 1.327 256 H CB 0.004 29.849 29.762 0.139 0.000 1.383 256 H HN 0.201 nan 8.280 nan 0.000 0.508 257 A N 0.149 123.025 122.820 0.094 0.000 2.125 257 A HA -0.104 4.231 4.320 0.026 0.000 0.219 257 A C 1.486 178.834 177.584 -0.394 0.000 1.156 257 A CA 0.790 52.719 52.037 -0.180 0.000 0.671 257 A CB -0.824 18.001 19.000 -0.292 0.000 0.794 257 A HN 0.348 nan 8.150 nan 0.000 0.459 258 F N -0.741 119.225 119.950 0.028 0.000 2.660 258 F HA 0.288 4.831 4.527 0.026 0.000 0.302 258 F C 1.431 177.206 175.800 -0.041 0.000 1.103 258 F CA -0.163 57.840 58.000 0.005 0.000 1.340 258 F CB -0.214 38.812 39.000 0.043 0.000 1.048 258 F HN 0.072 nan 8.300 nan 0.000 0.551 259 L N -0.332 120.901 121.223 0.017 0.000 2.109 259 L HA -0.134 4.222 4.340 0.026 0.000 0.207 259 L C 1.247 178.098 176.870 -0.033 0.000 1.086 259 L CA 1.138 55.956 54.840 -0.037 0.000 0.760 259 L CB -0.234 41.745 42.059 -0.132 0.000 0.910 259 L HN -0.008 nan 8.230 nan 0.000 0.437 260 D N -0.442 119.933 120.400 -0.042 0.000 2.336 260 D HA 0.019 4.675 4.640 0.026 0.000 0.228 260 D C -0.264 176.033 176.300 -0.004 0.000 1.120 260 D CA 0.424 54.407 54.000 -0.029 0.000 0.839 260 D CB 0.070 40.845 40.800 -0.041 0.000 0.932 260 D HN 0.221 nan 8.370 nan 0.000 0.509 261 D N 1.211 121.628 120.400 0.028 0.000 2.493 261 D HA 0.090 4.745 4.640 0.026 0.000 0.235 261 D C -1.251 175.069 176.300 0.033 0.000 1.117 261 D CA -1.514 52.517 54.000 0.052 0.000 0.930 261 D CB 1.777 42.655 40.800 0.130 0.000 1.010 261 D HN 0.048 nan 8.370 nan 0.000 0.514 262 P HA -0.162 nan 4.420 nan 0.000 0.216 262 P C 1.504 178.800 177.300 -0.007 0.000 1.150 262 P CA 0.915 64.012 63.100 -0.005 0.000 0.843 262 P CB 0.326 32.022 31.700 -0.006 0.000 0.787 263 G N -0.141 108.659 108.800 0.001 0.000 2.559 263 G HA2 -0.027 3.949 3.960 0.026 0.000 0.216 263 G HA3 -0.027 3.949 3.960 0.026 0.000 0.216 263 G C 0.549 175.441 174.900 -0.012 0.000 1.126 263 G CA 0.090 45.188 45.100 -0.004 0.000 0.778 263 G HN 0.238 nan 8.290 nan 0.000 0.543 264 V N 1.480 121.390 119.914 -0.008 0.000 2.348 264 V HA 0.305 4.440 4.120 0.026 0.000 0.270 264 V C 0.282 176.332 176.094 -0.073 0.000 1.037 264 V CA -0.899 61.380 62.300 -0.035 0.000 0.872 264 V CB 0.890 32.711 31.823 -0.002 0.000 1.002 264 V HN 0.264 nan 8.190 nan 0.000 0.464 265 R N 4.879 125.324 120.500 -0.092 0.000 2.543 265 R HA 0.534 4.889 4.340 0.026 0.000 0.277 265 R C -0.821 175.367 176.300 -0.187 0.000 1.074 265 R CA -0.184 55.839 56.100 -0.129 0.000 1.076 265 R CB 0.496 30.732 30.300 -0.107 0.000 0.993 265 R HN 0.588 nan 8.270 nan 0.000 0.459 266 L N 3.072 124.119 121.223 -0.292 0.000 2.319 266 L HA 0.494 4.849 4.340 0.026 0.000 0.281 266 L C -0.884 175.624 176.870 -0.603 0.000 1.005 266 L CA -0.952 53.592 54.840 -0.493 0.000 0.828 266 L CB 1.719 43.374 42.059 -0.673 0.000 1.227 266 L HN 0.317 nan 8.230 nan 0.000 0.415 267 V N 1.868 121.499 119.914 -0.472 0.000 2.525 267 V HA 0.610 4.745 4.120 0.026 0.000 0.299 267 V C 0.331 176.146 176.094 -0.465 0.000 1.034 267 V CA -0.534 61.438 62.300 -0.548 0.000 0.863 267 V CB 1.853 33.373 31.823 -0.505 0.000 0.999 267 V HN 0.836 nan 8.190 nan 0.000 0.423 268 G N 3.479 111.955 108.800 -0.541 0.000 2.370 268 G HA2 0.650 4.626 3.960 0.026 0.000 0.317 268 G HA3 0.650 4.626 3.960 0.026 0.000 0.317 268 G C -1.063 173.742 174.900 -0.158 0.000 1.162 268 G CA -0.311 44.742 45.100 -0.078 0.000 0.922 268 G HN 0.397 nan 8.290 nan 0.000 0.454 269 F N 1.075 121.139 119.950 0.190 0.000 2.411 269 F HA 0.319 4.860 4.527 0.023 0.000 0.350 269 F C 0.908 176.794 175.800 0.143 0.000 1.114 269 F CA -0.429 57.667 58.000 0.160 0.000 1.135 269 F CB 1.656 40.742 39.000 0.144 0.000 1.120 269 F HN 0.368 nan 8.300 nan 0.000 0.495 270 E N 1.907 122.285 120.200 0.297 0.000 2.197 270 E HA 0.559 4.925 4.350 0.026 0.000 0.281 270 E C -0.577 176.101 176.600 0.129 0.000 0.995 270 E CA -0.861 55.638 56.400 0.166 0.000 0.808 270 E CB 1.485 31.265 29.700 0.135 0.000 1.093 270 E HN 0.662 nan 8.360 nan 0.000 0.394 271 A N 2.279 125.094 122.820 -0.008 0.000 2.409 271 A HA 0.449 4.785 4.320 0.026 0.000 0.267 271 A C 0.527 178.139 177.584 0.047 0.000 1.127 271 A CA 0.266 52.275 52.037 -0.047 0.000 0.795 271 A CB 0.606 19.400 19.000 -0.343 0.000 1.061 271 A HN 0.768 nan 8.150 nan 0.000 0.502 272 A N 2.561 125.446 122.820 0.107 0.000 2.066 272 A HA 0.564 4.899 4.320 0.026 0.000 0.198 272 A C 1.381 179.010 177.584 0.076 0.000 1.405 272 A CA 0.882 52.969 52.037 0.085 0.000 0.973 272 A CB -0.770 18.288 19.000 0.096 0.000 1.026 272 A HN 2.658 nan 8.150 nan 0.000 0.474 273 G N 1.162 110.015 108.800 0.089 0.000 3.325 273 G HA2 0.189 4.164 3.960 0.026 0.000 0.420 273 G HA3 0.189 4.164 3.960 0.026 0.000 0.420 273 G C -0.326 174.617 174.900 0.071 0.000 0.488 273 G CA 0.417 45.562 45.100 0.075 0.000 1.199 273 G HN 1.218 nan 8.290 nan 0.000 0.558 336 V N 3.164 122.898 119.914 -0.299 0.000 2.432 336 V HA 0.447 4.583 4.120 0.026 0.000 0.271 336 V C -1.150 174.605 176.094 -0.564 0.000 1.046 336 V CA -0.457 61.505 62.300 -0.563 0.000 0.945 336 V CB 1.007 32.319 31.823 -0.853 0.000 0.992 336 V HN 0.276 nan 8.190 nan 0.000 0.471 337 D N 6.028 126.105 120.400 -0.539 0.000 2.308 337 D HA 0.301 4.957 4.640 0.026 0.000 0.251 337 D C -0.846 175.077 176.300 -0.629 0.000 1.127 337 D CA 0.561 54.315 54.000 -0.411 0.000 0.876 337 D CB 1.026 41.660 40.800 -0.276 0.000 1.176 337 D HN 0.635 nan 8.370 nan 0.000 0.446 338 Y N 1.303 121.513 120.300 -0.149 0.000 2.341 338 Y HA 0.460 5.025 4.550 0.025 0.000 0.337 338 Y C 0.817 176.656 175.900 -0.101 0.000 1.014 338 Y CA -0.534 57.486 58.100 -0.133 0.000 1.111 338 Y CB 1.500 39.921 38.460 -0.066 0.000 1.194 338 Y HN -0.018 nan 8.280 nan 0.000 0.462 339 R N 3.559 124.082 120.500 0.039 0.000 2.651 339 R HA 0.437 4.792 4.340 0.026 0.000 0.278 339 R C -3.046 173.407 176.300 0.255 0.000 1.010 339 R CA -2.073 54.097 56.100 0.118 0.000 0.896 339 R CB 2.584 32.958 30.300 0.123 0.000 1.211 339 R HN 0.355 nan 8.270 nan 0.000 0.456 340 P HA 0.350 nan 4.420 nan 0.000 0.286 340 P C -0.830 176.610 177.300 0.234 0.000 1.261 340 P CA -0.329 62.895 63.100 0.208 0.000 0.821 340 P CB 1.337 33.118 31.700 0.134 0.000 1.013 341 I N 2.180 122.885 120.570 0.224 0.000 2.512 341 I HA 0.197 4.382 4.170 0.026 0.000 0.287 341 I C 1.039 177.254 176.117 0.163 0.000 1.069 341 I CA -0.344 61.060 61.300 0.174 0.000 1.056 341 I CB 1.874 39.988 38.000 0.189 0.000 1.229 341 I HN 0.408 nan 8.210 nan 0.000 0.429 342 T N 0.851 115.450 114.554 0.076 0.000 2.814 342 T HA 0.280 4.645 4.350 0.026 0.000 0.284 342 T C 0.820 175.503 174.700 -0.029 0.000 0.998 342 T CA -0.391 61.742 62.100 0.056 0.000 0.935 342 T CB 1.452 70.347 68.868 0.045 0.000 1.167 342 T HN 0.430 nan 8.240 nan 0.000 0.545 343 D N 0.123 120.494 120.400 -0.049 0.000 2.123 343 D HA -0.012 4.643 4.640 0.026 0.000 0.200 343 D C 2.450 178.511 176.300 -0.397 0.000 0.976 343 D CA 1.022 54.877 54.000 -0.242 0.000 0.831 343 D CB -0.432 40.248 40.800 -0.201 0.000 0.974 343 D HN 0.495 nan 8.370 nan 0.000 0.469 344 S N 0.660 116.284 115.700 -0.126 0.000 2.359 344 S HA -0.160 4.325 4.470 0.026 0.000 0.224 344 S C 1.835 176.380 174.600 -0.091 0.000 1.035 344 S CA 1.045 59.233 58.200 -0.020 0.000 1.018 344 S CB -0.100 63.190 63.200 0.150 0.000 0.876 344 S HN 0.337 nan 8.310 nan 0.000 0.448 345 E N 0.987 121.136 120.200 -0.085 0.000 2.051 345 E HA -0.091 4.275 4.350 0.026 0.000 0.192 345 E C 2.409 178.911 176.600 -0.163 0.000 0.991 345 E CA 0.939 57.291 56.400 -0.080 0.000 0.799 345 E CB -0.273 29.393 29.700 -0.058 0.000 0.748 345 E HN 0.489 nan 8.360 nan 0.000 0.449 346 A N 1.344 123.974 122.820 -0.317 0.000 1.892 346 A HA -0.242 4.093 4.320 0.026 0.000 0.218 346 A C 2.151 179.564 177.584 -0.284 0.000 1.188 346 A CA 1.612 53.368 52.037 -0.468 0.000 0.631 346 A CB -0.403 17.969 19.000 -1.047 0.000 0.822 346 A HN 0.129 nan 8.150 nan 0.000 0.447 347 M N -0.018 119.330 119.600 -0.420 0.000 2.065 347 M HA -0.139 4.357 4.480 0.026 0.000 0.259 347 M C 1.567 177.933 176.300 0.110 0.000 1.069 347 M CA 1.607 56.645 55.300 -0.436 0.000 1.110 347 M CB -1.721 30.079 32.600 -1.332 0.000 1.328 347 M HN 0.361 nan 8.290 nan 0.000 0.405 348 D N 0.358 120.836 120.400 0.130 0.000 2.182 348 D HA -0.070 4.585 4.640 0.026 0.000 0.201 348 D C 1.957 178.337 176.300 0.134 0.000 0.986 348 D CA 1.597 55.743 54.000 0.244 0.000 0.847 348 D CB -0.165 40.717 40.800 0.136 0.000 0.942 348 D HN 0.367 nan 8.370 nan 0.000 0.467 349 A N 0.087 122.941 122.820 0.057 0.000 1.968 349 A HA -0.099 4.236 4.320 0.026 0.000 0.217 349 A C 2.006 179.631 177.584 0.068 0.000 1.169 349 A CA 0.536 52.581 52.037 0.013 0.000 0.638 349 A CB -0.774 18.199 19.000 -0.046 0.000 0.812 349 A HN 0.206 nan 8.150 nan 0.000 0.446 350 F N 1.333 121.262 119.950 -0.036 0.000 2.069 350 F HA -0.074 4.472 4.527 0.032 0.000 0.298 350 F C 2.304 178.097 175.800 -0.010 0.000 1.113 350 F CA 1.714 59.708 58.000 -0.009 0.000 1.214 350 F CB -0.825 38.186 39.000 0.019 0.000 0.978 350 F HN 0.190 nan 8.300 nan 0.000 0.474 351 G N 0.608 109.659 108.800 0.418 0.000 2.402 351 G HA2 -0.216 3.759 3.960 0.026 0.000 0.216 351 G HA3 -0.216 3.759 3.960 0.026 0.000 0.216 351 G C 1.866 176.727 174.900 -0.064 0.000 1.162 351 G CA 0.728 45.865 45.100 0.062 0.000 0.777 351 G HN 0.443 nan 8.290 nan 0.000 0.539 352 L N -0.240 120.941 121.223 -0.069 0.000 2.079 352 L HA -0.077 4.279 4.340 0.026 0.000 0.210 352 L C 2.738 179.537 176.870 -0.119 0.000 1.081 352 L CA 1.167 55.922 54.840 -0.142 0.000 0.752 352 L CB -0.206 41.748 42.059 -0.175 0.000 0.896 352 L HN 0.303 nan 8.230 nan 0.000 0.433 353 L N -0.714 120.449 121.223 -0.100 0.000 2.093 353 L HA -0.181 4.174 4.340 0.026 0.000 0.208 353 L C 2.526 179.330 176.870 -0.111 0.000 1.085 353 L CA 1.673 56.450 54.840 -0.104 0.000 0.755 353 L CB -0.660 41.311 42.059 -0.147 0.000 0.904 353 L HN 0.252 nan 8.230 nan 0.000 0.435 354 C N -0.335 118.889 119.300 -0.128 0.000 2.462 354 C HA -0.091 4.385 4.460 0.026 0.000 0.278 354 C C 2.792 177.738 174.990 -0.072 0.000 1.253 354 C CA 0.757 59.713 59.018 -0.102 0.000 1.713 354 C CB -0.994 26.713 27.740 -0.055 0.000 2.049 354 C HN 0.492 nan 8.230 nan 0.000 0.477 355 R N -0.137 120.317 120.500 -0.077 0.000 2.115 355 R HA -0.021 4.334 4.340 0.026 0.000 0.226 355 R C 2.204 178.477 176.300 -0.045 0.000 1.100 355 R CA 1.099 57.160 56.100 -0.066 0.000 0.980 355 R CB -0.175 30.073 30.300 -0.088 0.000 0.875 355 R HN 0.459 nan 8.270 nan 0.000 0.445 356 M N -0.087 119.484 119.600 -0.047 0.000 2.248 356 M HA -0.026 4.469 4.480 0.026 0.000 0.265 356 M C 1.203 177.509 176.300 0.011 0.000 1.079 356 M CA 1.546 56.841 55.300 -0.008 0.000 1.150 356 M CB -0.074 32.527 32.600 0.002 0.000 1.366 356 M HN -0.013 nan 8.290 nan 0.000 0.433 357 E N -1.207 118.994 120.200 0.002 0.000 2.572 357 E HA 0.284 4.649 4.350 0.026 0.000 0.220 357 E C 0.929 177.516 176.600 -0.022 0.000 0.945 357 E CA 0.580 56.999 56.400 0.032 0.000 1.070 357 E CB 0.772 30.525 29.700 0.087 0.000 1.090 357 E HN 0.537 nan 8.360 nan 0.000 0.506 358 G N 2.198 110.972 108.800 -0.043 0.000 2.147 358 G HA2 -0.272 3.704 3.960 0.026 0.000 0.244 358 G HA3 -0.272 3.704 3.960 0.026 0.000 0.244 358 G C 0.216 175.066 174.900 -0.084 0.000 1.005 358 G CA 0.359 45.424 45.100 -0.057 0.000 0.713 358 G HN 0.226 nan 8.290 nan 0.000 0.515 359 I N 0.696 121.204 120.570 -0.103 0.000 2.404 359 I HA 0.483 4.669 4.170 0.026 0.000 0.293 359 I C 0.442 176.448 176.117 -0.184 0.000 0.992 359 I CA -1.092 60.130 61.300 -0.130 0.000 1.149 359 I CB 1.693 39.617 38.000 -0.128 0.000 1.315 359 I HN -0.060 nan 8.210 nan 0.000 0.446 360 I N 8.077 128.534 120.570 -0.187 0.000 2.330 360 I HA 0.306 4.492 4.170 0.026 0.000 0.286 360 I C -2.191 173.726 176.117 -0.334 0.000 1.025 360 I CA -1.766 59.358 61.300 -0.294 0.000 1.197 360 I CB 0.895 38.831 38.000 -0.107 0.000 1.358 360 I HN 0.263 nan 8.210 nan 0.000 0.467 361 P HA 0.282 nan 4.420 nan 0.000 0.278 361 P C -0.422 176.760 177.300 -0.196 0.000 1.258 361 P CA -0.469 62.419 63.100 -0.353 0.000 0.811 361 P CB 0.983 32.459 31.700 -0.372 0.000 1.063 362 A N 1.483 124.304 122.820 0.001 0.000 2.483 362 A HA 0.105 4.440 4.320 0.026 0.000 0.238 362 A C 1.676 179.390 177.584 0.217 0.000 1.070 362 A CA -0.251 51.865 52.037 0.131 0.000 0.770 362 A CB -0.828 18.232 19.000 0.099 0.000 1.008 362 A HN 0.568 nan 8.150 nan 0.000 0.497 363 I N 0.429 121.177 120.570 0.296 0.000 2.335 363 I HA -0.278 3.908 4.170 0.026 0.000 0.251 363 I C 2.438 178.755 176.117 0.334 0.000 1.129 363 I CA 1.971 63.451 61.300 0.300 0.000 1.402 363 I CB -0.210 37.897 38.000 0.178 0.000 1.069 363 I HN 1.030 nan 8.210 nan 0.000 0.424 364 E N 0.909 121.253 120.200 0.239 0.000 2.033 364 E HA -0.268 4.097 4.350 0.026 0.000 0.199 364 E C 2.221 178.939 176.600 0.198 0.000 1.011 364 E CA 2.210 58.722 56.400 0.186 0.000 0.815 364 E CB -0.046 29.711 29.700 0.094 0.000 0.755 364 E HN 0.372 nan 8.360 nan 0.000 0.451 365 S N 0.329 116.107 115.700 0.129 0.000 2.382 365 S HA -0.151 4.334 4.470 0.026 0.000 0.228 365 S C 2.001 176.649 174.600 0.079 0.000 1.027 365 S CA 0.969 59.220 58.200 0.084 0.000 0.991 365 S CB -0.318 62.898 63.200 0.026 0.000 0.823 365 S HN 0.524 nan 8.310 nan 0.000 0.469 366 A N 1.297 124.172 122.820 0.091 0.000 1.933 366 A HA -0.162 4.174 4.320 0.026 0.000 0.218 366 A C 1.688 179.251 177.584 -0.036 0.000 1.175 366 A CA 1.769 53.821 52.037 0.025 0.000 0.628 366 A CB -0.885 18.177 19.000 0.102 0.000 0.814 366 A HN 0.570 nan 8.150 nan 0.000 0.444 367 H N -0.067 119.006 119.070 0.004 0.000 2.352 367 H HA -0.030 4.537 4.556 0.018 0.000 0.299 367 H C 2.410 177.688 175.328 -0.082 0.000 1.097 367 H CA 1.840 57.871 56.048 -0.028 0.000 1.311 367 H CB -0.295 29.489 29.762 0.037 0.000 1.377 367 H HN 0.523 nan 8.280 nan 0.000 0.504 368 A N 0.377 123.273 122.820 0.127 0.000 1.930 368 A HA -0.106 4.230 4.320 0.026 0.000 0.217 368 A C 2.575 180.119 177.584 -0.068 0.000 1.175 368 A CA 1.448 53.537 52.037 0.088 0.000 0.627 368 A CB -0.711 18.390 19.000 0.169 0.000 0.815 368 A HN 0.244 nan 8.150 nan 0.000 0.443 369 V N -0.021 119.865 119.914 -0.047 0.000 2.261 369 V HA -0.265 3.870 4.120 0.026 0.000 0.246 369 V C 3.077 179.088 176.094 -0.140 0.000 1.047 369 V CA 1.992 64.251 62.300 -0.069 0.000 1.015 369 V CB -1.364 30.430 31.823 -0.048 0.000 0.642 369 V HN 0.606 nan 8.190 nan 0.000 0.446 370 A N 0.645 123.363 122.820 -0.171 0.000 1.883 370 A HA -0.155 4.180 4.320 0.026 0.000 0.217 370 A C 2.428 179.829 177.584 -0.305 0.000 1.186 370 A CA 2.197 54.124 52.037 -0.184 0.000 0.624 370 A CB -1.373 17.514 19.000 -0.190 0.000 0.822 370 A HN 0.553 nan 8.150 nan 0.000 0.444 371 G N -0.820 107.612 108.800 -0.612 0.000 2.432 371 G HA2 0.036 4.011 3.960 0.026 0.000 0.219 371 G HA3 0.036 4.011 3.960 0.026 0.000 0.219 371 G C 1.696 176.293 174.900 -0.504 0.000 1.135 371 G CA 1.391 45.792 45.100 -1.165 0.000 0.767 371 G HN 0.825 nan 8.290 nan 0.000 0.550 372 A N 0.728 123.383 122.820 -0.274 0.000 1.902 372 A HA 0.069 4.405 4.320 0.026 0.000 0.217 372 A C 2.421 179.995 177.584 -0.017 0.000 1.181 372 A CA 1.355 53.375 52.037 -0.029 0.000 0.623 372 A CB -0.349 18.661 19.000 0.017 0.000 0.818 372 A HN 0.373 nan 8.150 nan 0.000 0.443 373 L N -1.016 120.178 121.223 -0.048 0.000 2.027 373 L HA -0.160 4.195 4.340 0.026 0.000 0.206 373 L C 2.503 179.375 176.870 0.002 0.000 1.074 373 L CA 1.691 56.526 54.840 -0.009 0.000 0.745 373 L CB -0.616 41.439 42.059 -0.006 0.000 0.898 373 L HN 0.260 nan 8.230 nan 0.000 0.433 374 K N 0.219 120.608 120.400 -0.018 0.000 2.044 374 K HA -0.234 4.102 4.320 0.026 0.000 0.210 374 K C 2.068 178.694 176.600 0.045 0.000 1.049 374 K CA 1.546 57.840 56.287 0.013 0.000 0.927 374 K CB -0.366 32.138 32.500 0.006 0.000 0.713 374 K HN 0.068 nan 8.250 nan 0.000 0.443 375 L N 0.400 121.662 121.223 0.065 0.000 2.093 375 L HA -0.049 4.306 4.340 0.026 0.000 0.208 375 L C 2.042 178.948 176.870 0.060 0.000 1.085 375 L CA 1.993 56.889 54.840 0.094 0.000 0.755 375 L CB -0.873 41.287 42.059 0.169 0.000 0.904 375 L HN 0.202 nan 8.230 nan 0.000 0.435 376 G N -1.469 107.358 108.800 0.046 0.000 2.421 376 G HA2 -0.133 3.842 3.960 0.026 0.000 0.217 376 G HA3 -0.133 3.842 3.960 0.026 0.000 0.217 376 G C 1.501 176.417 174.900 0.027 0.000 1.143 376 G CA 0.822 45.943 45.100 0.036 0.000 0.784 376 G HN 0.309 nan 8.290 nan 0.000 0.541 377 V N 0.613 120.543 119.914 0.027 0.000 2.515 377 V HA -0.142 3.993 4.120 0.026 0.000 0.250 377 V C 2.548 178.656 176.094 0.024 0.000 1.058 377 V CA 2.098 64.411 62.300 0.022 0.000 1.064 377 V CB -0.101 31.736 31.823 0.024 0.000 0.675 377 V HN 0.590 nan 8.190 nan 0.000 0.461 378 E N -0.186 120.032 120.200 0.032 0.000 2.051 378 E HA -0.229 4.136 4.350 0.026 0.000 0.192 378 E C 2.057 178.672 176.600 0.025 0.000 0.991 378 E CA 1.312 57.731 56.400 0.031 0.000 0.799 378 E CB 0.011 29.736 29.700 0.041 0.000 0.748 378 E HN 0.377 nan 8.360 nan 0.000 0.449 379 L N -0.286 120.952 121.223 0.026 0.000 2.249 379 L HA 0.232 4.588 4.340 0.026 0.000 0.207 379 L C 1.320 178.200 176.870 0.017 0.000 1.090 379 L CA 1.519 56.372 54.840 0.021 0.000 0.802 379 L CB -0.630 41.445 42.059 0.026 0.000 0.947 379 L HN 0.379 nan 8.230 nan 0.000 0.453 380 G N -0.183 108.626 108.800 0.016 0.000 2.728 380 G HA2 -0.263 3.712 3.960 0.026 0.000 0.294 380 G HA3 -0.263 3.712 3.960 0.026 0.000 0.294 380 G C -0.024 174.881 174.900 0.009 0.000 1.342 380 G CA -0.194 44.912 45.100 0.010 0.000 0.866 380 G HN 0.331 nan 8.290 nan 0.000 0.534 381 R N 0.436 120.939 120.500 0.004 0.000 2.679 381 R HA 0.430 4.786 4.340 0.026 0.000 0.268 381 R C 1.789 178.095 176.300 0.010 0.000 1.044 381 R CA 1.591 57.693 56.100 0.003 0.000 1.105 381 R CB -0.130 30.169 30.300 -0.002 0.000 0.989 381 R HN 2.557 nan 8.270 nan 0.000 0.447 382 G N 1.415 110.223 108.800 0.014 0.000 2.245 382 G HA2 -0.349 3.627 3.960 0.026 0.000 0.264 382 G HA3 -0.349 3.627 3.960 0.026 0.000 0.264 382 G C 0.149 175.066 174.900 0.029 0.000 0.985 382 G CA 0.282 45.395 45.100 0.021 0.000 0.625 382 G HN 0.935 nan 8.290 nan 0.000 0.536 383 A N -0.647 122.191 122.820 0.029 0.000 2.366 383 A HA 0.694 5.029 4.320 0.026 0.000 0.249 383 A C 0.154 177.775 177.584 0.060 0.000 1.084 383 A CA 0.609 52.667 52.037 0.035 0.000 0.794 383 A CB 1.201 20.220 19.000 0.031 0.000 1.034 383 A HN 1.215 nan 8.150 nan 0.000 0.491 384 V N 2.605 122.555 119.914 0.061 0.000 2.569 384 V HA 0.418 4.554 4.120 0.026 0.000 0.301 384 V C -0.610 175.529 176.094 0.075 0.000 1.044 384 V CA -0.020 62.342 62.300 0.103 0.000 0.874 384 V CB 1.221 33.074 31.823 0.051 0.000 1.002 384 V HN 0.724 nan 8.190 nan 0.000 0.424 385 I N 4.759 125.410 120.570 0.135 0.000 2.545 385 I HA 0.585 4.770 4.170 0.026 0.000 0.292 385 I C -0.727 175.466 176.117 0.127 0.000 1.040 385 I CA -1.003 60.351 61.300 0.090 0.000 1.068 385 I CB 2.473 40.527 38.000 0.090 0.000 1.251 385 I HN 0.249 nan 8.210 nan 0.000 0.424 386 V N 6.393 126.333 119.914 0.043 0.000 2.459 386 V HA 0.456 4.591 4.120 0.026 0.000 0.295 386 V C -0.260 175.876 176.094 0.070 0.000 1.029 386 V CA -0.664 61.670 62.300 0.057 0.000 0.874 386 V CB 1.948 33.735 31.823 -0.059 0.000 0.985 386 V HN 0.393 nan 8.190 nan 0.000 0.438 387 V N 3.720 123.695 119.914 0.102 0.000 2.448 387 V HA 0.420 4.555 4.120 0.026 0.000 0.295 387 V C 0.005 176.143 176.094 0.074 0.000 1.025 387 V CA -0.863 61.494 62.300 0.095 0.000 0.859 387 V CB 1.839 33.716 31.823 0.090 0.000 0.988 387 V HN 0.842 nan 8.190 nan 0.000 0.431 388 N N 4.593 123.321 118.700 0.047 0.000 2.401 388 N HA 0.211 4.966 4.740 0.026 0.000 0.255 388 N C -0.510 175.021 175.510 0.034 0.000 1.110 388 N CA -0.121 52.941 53.050 0.021 0.000 0.949 388 N CB 0.760 39.221 38.487 -0.044 0.000 1.110 388 N HN 0.691 nan 8.380 nan 0.000 0.490 389 L N 3.282 124.528 121.223 0.039 0.000 2.387 389 L HA 0.159 4.514 4.340 0.026 0.000 0.267 389 L C 0.336 177.220 176.870 0.023 0.000 1.197 389 L CA -0.303 54.556 54.840 0.032 0.000 1.070 389 L CB -0.406 41.670 42.059 0.028 0.000 1.349 389 L HN 0.523 nan 8.230 nan 0.000 0.422 390 S N 0.896 116.612 115.700 0.026 0.000 2.651 390 S HA 0.904 5.390 4.470 0.026 0.000 0.291 390 S C 0.277 174.898 174.600 0.035 0.000 1.141 390 S CA -0.078 58.134 58.200 0.021 0.000 1.027 390 S CB 2.346 65.554 63.200 0.013 0.000 1.043 390 S HN 0.784 nan 8.310 nan 0.000 0.530 391 G N 1.040 109.861 108.800 0.036 0.000 2.756 391 G HA2 -0.122 3.853 3.960 0.026 0.000 0.678 391 G HA3 -0.122 3.853 3.960 0.026 0.000 0.678 391 G C -0.991 173.944 174.900 0.059 0.000 1.349 391 G CA -1.021 44.112 45.100 0.054 0.000 0.847 391 G HN 0.859 nan 8.290 nan 0.000 0.548 392 R N 0.918 121.463 120.500 0.075 0.000 2.207 392 R HA 0.446 4.801 4.340 0.026 0.000 0.334 392 R C 1.878 178.220 176.300 0.069 0.000 1.013 392 R CA 0.168 56.319 56.100 0.085 0.000 0.858 392 R CB 0.980 31.339 30.300 0.099 0.000 1.094 392 R HN 0.989 nan 8.270 nan 0.000 0.457 393 G N 3.467 112.296 108.800 0.050 0.000 2.649 393 G HA2 -0.324 3.652 3.960 0.026 0.000 0.220 393 G HA3 -0.324 3.652 3.960 0.026 0.000 0.220 393 G C 0.418 175.344 174.900 0.042 0.000 1.189 393 G CA 1.036 46.146 45.100 0.016 0.000 0.777 393 G HN 0.745 nan 8.290 nan 0.000 0.602 394 D N -1.153 119.268 120.400 0.035 0.000 2.382 394 D HA 0.320 4.976 4.640 0.026 0.000 0.245 394 D C 0.712 177.056 176.300 0.072 0.000 1.120 394 D CA 0.049 54.078 54.000 0.049 0.000 0.890 394 D CB 1.955 42.761 40.800 0.011 0.000 1.201 394 D HN 0.133 nan 8.370 nan 0.000 0.433 395 K N 1.124 121.574 120.400 0.084 0.000 2.344 395 K HA -0.080 4.256 4.320 0.026 0.000 0.260 395 K C -0.393 176.262 176.600 0.090 0.000 1.643 395 K CA 0.298 56.634 56.287 0.082 0.000 1.304 395 K CB -0.918 31.633 32.500 0.085 0.000 1.916 395 K HN 0.464 nan 8.250 nan 0.000 0.527 396 D N 0.104 120.580 120.400 0.128 0.000 2.525 396 D HA 0.220 4.875 4.640 0.026 0.000 0.231 396 D C 1.370 177.737 176.300 0.112 0.000 1.216 396 D CA 0.387 54.462 54.000 0.124 0.000 0.813 396 D CB 0.930 41.865 40.800 0.225 0.000 1.108 396 D HN -0.035 nan 8.370 nan 0.000 0.524 397 V N 1.633 121.640 119.914 0.154 0.000 2.343 397 V HA -0.227 3.909 4.120 0.026 0.000 0.247 397 V C 2.286 178.425 176.094 0.075 0.000 1.051 397 V CA 1.700 64.097 62.300 0.162 0.000 1.036 397 V CB -0.243 31.668 31.823 0.146 0.000 0.654 397 V HN 0.241 nan 8.190 nan 0.000 0.451 398 E N 0.160 120.395 120.200 0.057 0.000 2.023 398 E HA -0.216 4.150 4.350 0.026 0.000 0.196 398 E C 2.248 178.861 176.600 0.021 0.000 1.003 398 E CA 1.998 58.421 56.400 0.039 0.000 0.809 398 E CB -0.660 29.062 29.700 0.036 0.000 0.755 398 E HN 0.582 nan 8.360 nan 0.000 0.449 399 T N 1.615 116.172 114.554 0.005 0.000 2.684 399 T HA -0.180 4.185 4.350 0.026 0.000 0.267 399 T C 2.099 176.762 174.700 -0.062 0.000 1.036 399 T CA 1.564 63.656 62.100 -0.013 0.000 1.148 399 T CB -0.344 68.506 68.868 -0.030 0.000 0.863 399 T HN 0.308 nan 8.240 nan 0.000 0.436 400 A N 1.448 124.151 122.820 -0.196 0.000 1.902 400 A HA 0.140 4.475 4.320 0.026 0.000 0.217 400 A C 2.665 180.256 177.584 0.013 0.000 1.181 400 A CA 1.900 53.729 52.037 -0.346 0.000 0.623 400 A CB -1.135 17.238 19.000 -1.046 0.000 0.818 400 A HN 0.526 nan 8.150 nan 0.000 0.443 401 A N -0.275 122.577 122.820 0.053 0.000 1.877 401 A HA -0.141 4.194 4.320 0.026 0.000 0.216 401 A C 2.099 179.750 177.584 0.111 0.000 1.186 401 A CA 1.713 53.825 52.037 0.124 0.000 0.620 401 A CB -0.463 18.590 19.000 0.088 0.000 0.822 401 A HN 0.504 nan 8.150 nan 0.000 0.443 402 K N -1.220 119.219 120.400 0.066 0.000 2.001 402 K HA -0.258 4.078 4.320 0.026 0.000 0.223 402 K C 1.941 178.550 176.600 0.015 0.000 1.055 402 K CA 1.875 58.182 56.287 0.035 0.000 0.965 402 K CB -0.530 31.988 32.500 0.030 0.000 0.730 402 K HN 0.785 nan 8.250 nan 0.000 0.449 403 W N 1.456 122.648 121.300 -0.179 0.000 2.290 403 W HA -0.235 4.427 4.660 0.002 0.000 0.323 403 W C 0.583 176.885 176.519 -0.360 0.000 1.260 403 W CA 1.512 58.654 57.345 -0.337 0.000 1.266 403 W CB -0.553 28.573 29.460 -0.558 0.000 1.149 403 W HN -0.081 nan 8.180 nan 0.000 0.482 404 F N 0.000 120.044 119.950 0.156 0.000 2.286 404 F HA 0.000 4.548 4.527 0.035 0.000 0.279 404 F CA 0.000 58.040 58.000 0.067 0.000 1.383 404 F CB 0.000 39.069 39.000 0.115 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574