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 3gg2_1_B DATA FIRST_RESID 79 DATA SEQUENCE LDIAVVGIGY VGLVSATCFA ELGANVRCID TDRNKIEQLN SGTIPIYEPG DATA SEQUENCE LEKMIARNVK AGRLRFGTEI EQAVPEADII FIAVGTPAGE DGSADMSYVL DATA SEQUENCE DAARSIGRAM SRYILIVTKS TVPVGSYRLI RKAIQEELDK REVLIDFDIA DATA SEQUENCE SNPEFLKEGN AIDDFMKPDR VVVGVDSDRA RELITSLYKP MLXXXXRVLF DATA SEQUENCE MDIASAEMTK YAANAMLATR ISFMNDVANL CERVGADVSM VRLGIGSDSR DATA SEQUENCE IGSKFLYPGC GYGGSCFPKD VKALIRTAED NGYRMEVLEA VERVNEKQKS DATA SEQUENCE ILFDKFSTYY KGNVQGRCVA IWGLSFKPGT DDMREAPSLV LIEKLLEVGC DATA SEQUENCE RVRVYDPVAM KEAQKRLGDK VEYTTDMYDA VRGAEALFHV TEWKEFRMPD DATA SEQUENCE WSALSQAMAA SLVIDGRNVY ELXXXXXFTL LNIG 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 79 L HA 0.000 nan 4.340 nan 0.000 0.249 79 L C 0.000 176.845 176.870 -0.042 0.000 1.165 79 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 79 L CB 0.000 42.020 42.059 -0.064 0.000 0.961 80 D N 3.467 123.845 120.400 -0.036 0.000 2.280 80 D HA 0.662 5.302 4.640 -0.000 0.000 0.236 80 D C -0.671 175.606 176.300 -0.039 0.000 1.082 80 D CA 0.028 54.008 54.000 -0.034 0.000 0.834 80 D CB 2.332 43.119 40.800 -0.023 0.000 1.100 80 D HN 0.233 nan 8.370 nan 0.000 0.486 81 I N 1.226 121.772 120.570 -0.039 0.000 2.569 81 I HA 0.532 4.702 4.170 -0.000 0.000 0.296 81 I C -0.185 175.942 176.117 0.017 0.000 1.028 81 I CA -0.912 60.379 61.300 -0.015 0.000 1.082 81 I CB 2.093 40.049 38.000 -0.074 0.000 1.264 81 I HN 0.277 nan 8.210 nan 0.000 0.429 82 A N 5.520 128.376 122.820 0.060 0.000 2.337 82 A HA 0.874 5.194 4.320 -0.000 0.000 0.329 82 A C -1.001 176.676 177.584 0.155 0.000 1.146 82 A CA -0.540 51.537 52.037 0.067 0.000 0.800 82 A CB 1.505 20.526 19.000 0.034 0.000 1.220 82 A HN 0.423 nan 8.150 nan 0.000 0.472 83 V N 2.445 122.430 119.914 0.118 0.000 2.531 83 V HA 0.386 4.506 4.120 -0.000 0.000 0.301 83 V C -0.477 175.676 176.094 0.098 0.000 1.034 83 V CA -0.564 61.823 62.300 0.145 0.000 0.865 83 V CB 1.630 33.502 31.823 0.082 0.000 0.995 83 V HN 0.649 nan 8.190 nan 0.000 0.424 84 V N 3.927 123.903 119.914 0.103 0.000 2.383 84 V HA 0.918 5.037 4.120 -0.000 0.000 0.275 84 V C 0.619 176.741 176.094 0.048 0.000 1.036 84 V CA 0.416 62.757 62.300 0.069 0.000 0.889 84 V CB 0.724 32.585 31.823 0.063 0.000 0.985 84 V HN 1.326 nan 8.190 nan 0.000 0.459 85 G N 4.513 113.331 108.800 0.030 0.000 2.841 85 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.684 85 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.684 85 G C -0.596 174.297 174.900 -0.010 0.000 1.273 85 G CA -0.303 44.792 45.100 -0.007 0.000 0.811 85 G HN 1.426 nan 8.290 nan 0.000 0.631 86 I N -0.121 120.432 120.570 -0.028 0.000 3.658 86 I HA 0.558 4.728 4.170 -0.000 0.000 0.328 86 I C 0.921 177.018 176.117 -0.034 0.000 1.567 86 I CA -0.071 61.215 61.300 -0.023 0.000 1.078 86 I CB 0.389 38.374 38.000 -0.026 0.000 1.267 86 I HN 0.800 nan 8.210 nan 0.000 0.495 87 G N 1.216 109.983 108.800 -0.054 0.000 2.611 87 G HA2 0.072 4.032 3.960 -0.000 0.000 0.273 87 G HA3 0.072 4.032 3.960 -0.000 0.000 0.273 87 G C 0.536 175.416 174.900 -0.033 0.000 1.305 87 G CA 0.086 45.170 45.100 -0.027 0.000 1.010 87 G HN 0.552 nan 8.290 nan 0.000 0.509 88 Y N -1.783 118.504 120.300 -0.021 0.000 2.274 88 Y HA -0.081 4.469 4.550 -0.000 0.000 0.290 88 Y C 2.338 178.212 175.900 -0.044 0.000 1.145 88 Y CA 1.297 59.381 58.100 -0.025 0.000 1.203 88 Y CB -0.854 37.605 38.460 -0.002 0.000 0.984 88 Y HN 0.046 nan 8.280 nan 0.000 0.533 89 V N 1.385 120.915 119.914 -0.640 0.000 2.270 89 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 89 V C 2.702 178.656 176.094 -0.232 0.000 1.043 89 V CA 2.068 64.104 62.300 -0.439 0.000 1.014 89 V CB -1.368 30.176 31.823 -0.465 0.000 0.645 89 V HN 0.666 nan 8.190 nan 0.000 0.447 90 G N -0.614 108.077 108.800 -0.182 0.000 2.394 90 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 90 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 90 G C 1.561 176.402 174.900 -0.099 0.000 1.165 90 G CA 0.909 45.946 45.100 -0.105 0.000 0.784 90 G HN 0.384 nan 8.290 nan 0.000 0.535 91 L N 0.627 121.807 121.223 -0.072 0.000 2.056 91 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 91 L C 2.938 179.746 176.870 -0.105 0.000 1.078 91 L CA 1.184 56.007 54.840 -0.029 0.000 0.749 91 L CB -0.349 41.710 42.059 0.001 0.000 0.901 91 L HN 0.085 nan 8.230 nan 0.000 0.433 92 V N -1.308 118.514 119.914 -0.154 0.000 2.379 92 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 92 V C 2.494 178.232 176.094 -0.593 0.000 1.044 92 V CA 1.714 63.861 62.300 -0.256 0.000 1.036 92 V CB -0.529 31.208 31.823 -0.143 0.000 0.664 92 V HN 0.457 nan 8.190 nan 0.000 0.453 93 S N 0.623 115.916 115.700 -0.678 0.000 2.359 93 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 93 S C 2.242 176.319 174.600 -0.871 0.000 1.035 93 S CA 1.515 59.011 58.200 -1.173 0.000 1.018 93 S CB -0.581 62.237 63.200 -0.637 0.000 0.876 93 S HN 0.647 nan 8.310 nan 0.000 0.448 94 A N 1.415 124.012 122.820 -0.371 0.000 1.877 94 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 94 A C 2.364 179.849 177.584 -0.165 0.000 1.186 94 A CA 2.121 54.074 52.037 -0.140 0.000 0.620 94 A CB -1.372 17.595 19.000 -0.056 0.000 0.822 94 A HN 0.485 nan 8.150 nan 0.000 0.443 95 T N -1.013 113.414 114.554 -0.212 0.000 2.777 95 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 95 T C 1.900 176.480 174.700 -0.200 0.000 1.040 95 T CA 1.510 63.517 62.100 -0.155 0.000 1.141 95 T CB -0.594 68.214 68.868 -0.100 0.000 0.868 95 T HN 0.562 nan 8.240 nan 0.000 0.444 96 C N 0.706 119.765 119.300 -0.401 0.000 2.440 96 C HA 0.052 4.511 4.460 -0.000 0.000 0.278 96 C C 2.370 177.241 174.990 -0.199 0.000 1.295 96 C CA -0.051 58.746 59.018 -0.367 0.000 1.738 96 C CB -1.480 25.843 27.740 -0.696 0.000 1.987 96 C HN 0.451 nan 8.230 nan 0.000 0.492 97 F N 1.909 121.731 119.950 -0.212 0.000 2.171 97 F HA -0.091 4.435 4.527 -0.000 0.000 0.300 97 F C 2.513 178.265 175.800 -0.081 0.000 1.090 97 F CA 1.258 59.194 58.000 -0.107 0.000 1.293 97 F CB -1.274 37.632 39.000 -0.156 0.000 1.013 97 F HN 0.183 nan 8.300 nan 0.000 0.486 98 A N -0.278 122.590 122.820 0.080 0.000 1.902 98 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 98 A C 2.118 179.710 177.584 0.014 0.000 1.181 98 A CA 1.813 53.859 52.037 0.015 0.000 0.623 98 A CB -0.880 18.094 19.000 -0.043 0.000 0.818 98 A HN 0.331 nan 8.150 nan 0.000 0.443 99 E N 0.043 120.244 120.200 0.002 0.000 2.130 99 E HA -0.151 4.198 4.350 -0.000 0.000 0.196 99 E C 1.484 178.105 176.600 0.036 0.000 0.998 99 E CA 1.238 57.643 56.400 0.008 0.000 0.806 99 E CB -0.377 29.320 29.700 -0.007 0.000 0.738 99 E HN 0.582 nan 8.360 nan 0.000 0.459 100 L N -1.253 120.011 121.223 0.069 0.000 2.599 100 L HA 0.228 4.568 4.340 -0.000 0.000 0.230 100 L C 1.389 178.301 176.870 0.070 0.000 1.141 100 L CA 0.475 55.369 54.840 0.090 0.000 0.877 100 L CB 0.191 42.342 42.059 0.154 0.000 1.009 100 L HN 0.465 nan 8.230 nan 0.000 0.447 101 G N -0.917 107.913 108.800 0.049 0.000 2.184 101 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.206 101 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.206 101 G C 0.377 175.288 174.900 0.018 0.000 0.995 101 G CA -0.167 44.949 45.100 0.028 0.000 0.651 101 G HN 0.442 nan 8.290 nan 0.000 0.511 102 A N 0.048 122.884 122.820 0.027 0.000 2.386 102 A HA 0.613 4.933 4.320 -0.000 0.000 0.248 102 A C 0.330 177.905 177.584 -0.015 0.000 1.082 102 A CA -0.146 51.889 52.037 -0.003 0.000 0.789 102 A CB 0.265 19.254 19.000 -0.018 0.000 1.025 102 A HN 0.300 nan 8.150 nan 0.000 0.490 103 N N 0.601 119.283 118.700 -0.030 0.000 2.414 103 N HA 0.416 5.156 4.740 -0.000 0.000 0.256 103 N C -1.077 174.403 175.510 -0.049 0.000 1.029 103 N CA 0.022 53.048 53.050 -0.040 0.000 0.948 103 N CB 1.381 39.847 38.487 -0.036 0.000 1.102 103 N HN 0.307 nan 8.380 nan 0.000 0.496 104 V N 2.334 122.207 119.914 -0.068 0.000 2.540 104 V HA 0.442 4.561 4.120 -0.000 0.000 0.302 104 V C 0.120 176.142 176.094 -0.121 0.000 1.035 104 V CA -0.883 61.373 62.300 -0.073 0.000 0.873 104 V CB 2.056 33.844 31.823 -0.058 0.000 0.992 104 V HN 0.495 nan 8.190 nan 0.000 0.428 105 R N 3.145 123.593 120.500 -0.086 0.000 2.360 105 R HA 0.620 4.959 4.340 -0.000 0.000 0.318 105 R C -1.089 175.176 176.300 -0.059 0.000 0.950 105 R CA -0.106 55.936 56.100 -0.098 0.000 0.837 105 R CB 0.997 31.267 30.300 -0.050 0.000 1.165 105 R HN 0.815 nan 8.270 nan 0.000 0.458 106 C N 6.904 126.153 119.300 -0.085 0.000 2.303 106 C HA 0.698 5.158 4.460 -0.000 0.000 0.326 106 C C -0.522 174.554 174.990 0.144 0.000 1.285 106 C CA -0.661 58.386 59.018 0.049 0.000 1.675 106 C CB -0.618 27.189 27.740 0.112 0.000 2.289 106 C HN 0.882 nan 8.230 nan 0.000 0.512 107 I N 4.672 125.307 120.570 0.108 0.000 2.569 107 I HA 0.559 4.729 4.170 -0.000 0.000 0.296 107 I C -0.753 175.407 176.117 0.072 0.000 1.028 107 I CA -0.015 61.340 61.300 0.091 0.000 1.082 107 I CB 2.101 40.136 38.000 0.058 0.000 1.264 107 I HN 0.633 nan 8.210 nan 0.000 0.429 108 D N 0.811 121.246 120.400 0.058 0.000 2.609 108 D HA 0.251 4.891 4.640 -0.000 0.000 0.239 108 D C 0.545 176.862 176.300 0.028 0.000 1.229 108 D CA -0.298 53.721 54.000 0.032 0.000 0.808 108 D CB 1.824 42.631 40.800 0.012 0.000 1.448 108 D HN 0.611 nan 8.370 nan 0.000 0.433 109 T N -1.368 113.201 114.554 0.025 0.000 3.023 109 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 109 T C 0.726 175.436 174.700 0.018 0.000 1.093 109 T CA 0.262 62.379 62.100 0.029 0.000 1.129 109 T CB -0.087 68.809 68.868 0.046 0.000 0.899 109 T HN 0.267 nan 8.240 nan 0.000 0.491 110 D N 1.937 122.339 120.400 0.004 0.000 2.367 110 D HA 0.311 4.951 4.640 -0.000 0.000 0.255 110 D C 1.584 177.878 176.300 -0.010 0.000 1.300 110 D CA 0.096 54.093 54.000 -0.005 0.000 0.959 110 D CB 0.832 41.620 40.800 -0.019 0.000 1.064 110 D HN 0.405 nan 8.370 nan 0.000 0.509 111 R N 4.214 124.712 120.500 -0.003 0.000 2.117 111 R HA -0.223 4.117 4.340 -0.000 0.000 0.243 111 R C 1.834 178.123 176.300 -0.018 0.000 1.143 111 R CA 1.841 57.938 56.100 -0.005 0.000 0.968 111 R CB -1.548 28.753 30.300 0.001 0.000 0.863 111 R HN 0.682 nan 8.270 nan 0.000 0.444 112 N N -0.047 118.641 118.700 -0.021 0.000 2.142 112 N HA -0.165 4.574 4.740 -0.000 0.000 0.186 112 N C 1.271 176.753 175.510 -0.047 0.000 1.023 112 N CA 1.455 54.488 53.050 -0.028 0.000 0.852 112 N CB -0.039 38.435 38.487 -0.022 0.000 0.998 112 N HN 0.338 nan 8.380 nan 0.000 0.424 113 K N 0.937 121.304 120.400 -0.055 0.000 2.103 113 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 113 K C 2.109 178.628 176.600 -0.134 0.000 1.052 113 K CA 0.316 56.552 56.287 -0.085 0.000 0.945 113 K CB -0.283 32.173 32.500 -0.074 0.000 0.722 113 K HN 0.289 nan 8.250 nan 0.000 0.443 114 I N 1.598 122.104 120.570 -0.107 0.000 2.252 114 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 114 I C 2.360 178.406 176.117 -0.119 0.000 1.102 114 I CA 1.117 62.341 61.300 -0.127 0.000 1.385 114 I CB -0.809 37.175 38.000 -0.026 0.000 1.064 114 I HN 0.262 nan 8.210 nan 0.000 0.414 115 E N 0.976 121.134 120.200 -0.070 0.000 2.038 115 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 115 E C 2.283 178.840 176.600 -0.072 0.000 1.000 115 E CA 2.331 58.701 56.400 -0.049 0.000 0.803 115 E CB 0.057 29.737 29.700 -0.032 0.000 0.750 115 E HN 0.638 nan 8.360 nan 0.000 0.448 116 Q N 0.687 120.433 119.800 -0.091 0.000 2.135 116 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 116 Q C 2.438 178.348 176.000 -0.150 0.000 0.981 116 Q CA 1.728 57.471 55.803 -0.099 0.000 0.856 116 Q CB -0.937 27.746 28.738 -0.092 0.000 0.902 116 Q HN 0.367 nan 8.270 nan 0.000 0.425 117 L N 0.543 121.609 121.223 -0.262 0.000 2.093 117 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 117 L C 2.237 178.957 176.870 -0.250 0.000 1.085 117 L CA 1.190 55.759 54.840 -0.451 0.000 0.755 117 L CB -0.278 41.139 42.059 -1.072 0.000 0.904 117 L HN 0.426 nan 8.230 nan 0.000 0.435 118 N N -0.451 118.179 118.700 -0.117 0.000 2.289 118 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 118 N C 1.760 177.281 175.510 0.019 0.000 1.016 118 N CA 1.515 54.587 53.050 0.037 0.000 0.872 118 N CB -0.144 38.373 38.487 0.049 0.000 0.973 118 N HN 0.367 nan 8.380 nan 0.000 0.433 119 S N -1.550 114.137 115.700 -0.022 0.000 2.557 119 S HA 0.354 4.824 4.470 -0.000 0.000 0.223 119 S C 1.167 175.756 174.600 -0.019 0.000 0.969 119 S CA 0.196 58.387 58.200 -0.015 0.000 0.927 119 S CB 0.323 63.510 63.200 -0.021 0.000 0.806 119 S HN 0.338 nan 8.310 nan 0.000 0.489 120 G N 0.586 109.370 108.800 -0.027 0.000 2.137 120 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.237 120 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.237 120 G C -0.029 174.845 174.900 -0.044 0.000 1.002 120 G CA 0.099 45.185 45.100 -0.022 0.000 0.702 120 G HN 0.624 nan 8.290 nan 0.000 0.515 121 T N 1.330 115.841 114.554 -0.071 0.000 2.786 121 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 121 T C 0.794 175.431 174.700 -0.104 0.000 0.992 121 T CA -0.203 61.854 62.100 -0.072 0.000 0.954 121 T CB 1.489 70.323 68.868 -0.056 0.000 0.934 121 T HN 0.847 nan 8.240 nan 0.000 0.440 122 I N 2.100 122.615 120.570 -0.091 0.000 2.575 122 I HA 0.384 4.554 4.170 -0.000 0.000 0.285 122 I C -1.457 174.615 176.117 -0.075 0.000 1.085 122 I CA -2.051 59.189 61.300 -0.101 0.000 1.403 122 I CB 0.772 38.724 38.000 -0.081 0.000 1.409 122 I HN 0.337 nan 8.210 nan 0.000 0.557 123 P HA 0.132 nan 4.420 nan 0.000 0.245 123 P C 0.055 177.352 177.300 -0.004 0.000 1.212 123 P CA 0.594 63.666 63.100 -0.047 0.000 0.774 123 P CB -0.039 31.622 31.700 -0.065 0.000 0.999 124 I N -5.122 115.453 120.570 0.008 0.000 3.145 124 I HA 0.485 4.654 4.170 -0.000 0.000 0.313 124 I C -1.148 175.015 176.117 0.077 0.000 1.122 124 I CA -1.942 59.393 61.300 0.059 0.000 0.987 124 I CB 2.031 40.078 38.000 0.077 0.000 1.236 124 I HN -0.359 nan 8.210 nan 0.000 0.453 125 Y N 2.215 122.516 120.300 0.002 0.000 2.594 125 Y HA 0.532 5.081 4.550 -0.000 0.000 0.342 125 Y C -0.673 175.221 175.900 -0.010 0.000 1.010 125 Y CA 0.071 58.170 58.100 -0.001 0.000 1.270 125 Y CB 0.489 38.957 38.460 0.013 0.000 1.125 125 Y HN 0.645 nan 8.280 nan 0.000 0.513 126 E N 8.419 128.461 120.200 -0.265 0.000 2.361 126 E HA 0.363 4.713 4.350 -0.000 0.000 0.270 126 E C -2.913 173.539 176.600 -0.247 0.000 0.911 126 E CA -2.746 53.547 56.400 -0.178 0.000 0.818 126 E CB 1.188 30.854 29.700 -0.056 0.000 1.332 126 E HN 0.278 nan 8.360 nan 0.000 0.402 127 P HA 0.124 nan 4.420 nan 0.000 0.262 127 P C 0.825 178.056 177.300 -0.115 0.000 1.182 127 P CA 1.233 64.214 63.100 -0.197 0.000 0.761 127 P CB 0.813 32.441 31.700 -0.120 0.000 0.795 128 G N 2.280 111.019 108.800 -0.102 0.000 2.267 128 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 128 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 128 G C 0.674 175.538 174.900 -0.060 0.000 0.998 128 G CA 0.370 45.431 45.100 -0.065 0.000 0.620 128 G HN 0.545 nan 8.290 nan 0.000 0.529 129 L N 0.952 122.130 121.223 -0.075 0.000 2.044 129 L HA 0.311 4.651 4.340 -0.000 0.000 0.205 129 L C 2.460 179.304 176.870 -0.044 0.000 1.075 129 L CA 2.945 57.750 54.840 -0.058 0.000 0.747 129 L CB -0.469 41.554 42.059 -0.060 0.000 0.903 129 L HN 0.456 nan 8.230 nan 0.000 0.435 130 E N -0.435 119.730 120.200 -0.058 0.000 2.085 130 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 130 E C 2.234 178.821 176.600 -0.021 0.000 0.994 130 E CA 1.829 58.204 56.400 -0.041 0.000 0.801 130 E CB -0.011 29.655 29.700 -0.056 0.000 0.743 130 E HN 0.532 nan 8.360 nan 0.000 0.453 131 K N 0.626 121.009 120.400 -0.028 0.000 2.057 131 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 131 K C 1.791 178.385 176.600 -0.009 0.000 1.050 131 K CA 1.520 57.796 56.287 -0.018 0.000 0.935 131 K CB -0.788 31.698 32.500 -0.024 0.000 0.715 131 K HN 0.250 nan 8.250 nan 0.000 0.439 132 M N -0.089 119.503 119.600 -0.015 0.000 2.117 132 M HA -0.034 4.446 4.480 -0.000 0.000 0.262 132 M C 2.228 178.529 176.300 0.001 0.000 1.065 132 M CA 1.616 56.908 55.300 -0.013 0.000 1.114 132 M CB -0.247 32.337 32.600 -0.027 0.000 1.361 132 M HN 0.383 nan 8.290 nan 0.000 0.408 133 I N 0.296 120.879 120.570 0.022 0.000 2.163 133 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 133 I C 2.660 178.817 176.117 0.066 0.000 1.085 133 I CA 1.350 62.695 61.300 0.075 0.000 1.347 133 I CB -0.821 37.262 38.000 0.139 0.000 1.044 133 I HN 0.385 nan 8.210 nan 0.000 0.408 134 A N 1.905 124.751 122.820 0.043 0.000 1.892 134 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 134 A C 2.373 179.970 177.584 0.022 0.000 1.188 134 A CA 2.393 54.450 52.037 0.034 0.000 0.631 134 A CB -0.798 18.211 19.000 0.016 0.000 0.822 134 A HN 0.565 nan 8.150 nan 0.000 0.447 135 R N -0.879 119.627 120.500 0.010 0.000 2.092 135 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 135 R C 1.628 177.928 176.300 -0.001 0.000 1.119 135 R CA 1.507 57.609 56.100 0.003 0.000 0.970 135 R CB -0.589 29.711 30.300 -0.000 0.000 0.864 135 R HN 0.434 nan 8.270 nan 0.000 0.440 136 N N 0.820 119.517 118.700 -0.005 0.000 2.270 136 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 136 N C 1.842 177.332 175.510 -0.034 0.000 1.016 136 N CA 1.223 54.260 53.050 -0.021 0.000 0.870 136 N CB 0.081 38.548 38.487 -0.032 0.000 0.979 136 N HN 0.093 nan 8.380 nan 0.000 0.431 137 V N 1.770 121.674 119.914 -0.015 0.000 2.307 137 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 137 V C 2.506 178.596 176.094 -0.007 0.000 1.045 137 V CA 1.409 63.700 62.300 -0.015 0.000 1.024 137 V CB -0.411 31.443 31.823 0.051 0.000 0.651 137 V HN 0.282 nan 8.190 nan 0.000 0.449 138 K N 0.371 120.773 120.400 0.003 0.000 2.063 138 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 138 K C 2.044 178.641 176.600 -0.005 0.000 1.048 138 K CA 1.628 57.916 56.287 0.002 0.000 0.928 138 K CB -0.291 32.212 32.500 0.005 0.000 0.713 138 K HN 0.449 nan 8.250 nan 0.000 0.442 139 A N 0.097 122.911 122.820 -0.009 0.000 2.168 139 A HA 0.079 4.398 4.320 -0.000 0.000 0.215 139 A C 1.415 178.988 177.584 -0.017 0.000 1.152 139 A CA 1.217 53.247 52.037 -0.011 0.000 0.716 139 A CB -0.540 18.453 19.000 -0.011 0.000 0.794 139 A HN 0.592 nan 8.150 nan 0.000 0.465 140 G N -1.091 107.694 108.800 -0.024 0.000 2.143 140 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 140 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 140 G C 0.883 175.755 174.900 -0.046 0.000 0.991 140 G CA 0.618 45.698 45.100 -0.033 0.000 0.689 140 G HN 0.558 nan 8.290 nan 0.000 0.522 141 R N -1.380 119.090 120.500 -0.050 0.000 2.280 141 R HA 0.364 4.704 4.340 -0.000 0.000 0.195 141 R C 0.459 176.702 176.300 -0.096 0.000 0.935 141 R CA 0.453 56.519 56.100 -0.056 0.000 1.033 141 R CB 0.301 30.579 30.300 -0.037 0.000 0.964 141 R HN 0.390 nan 8.270 nan 0.000 0.489 142 L N 0.247 121.387 121.223 -0.139 0.000 2.409 142 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 142 L C -0.861 175.794 176.870 -0.359 0.000 0.980 142 L CA -0.466 54.217 54.840 -0.261 0.000 0.826 142 L CB 1.595 43.493 42.059 -0.269 0.000 1.268 142 L HN -0.058 nan 8.230 nan 0.000 0.407 143 R N 3.274 123.492 120.500 -0.470 0.000 2.740 143 R HA 0.847 5.187 4.340 -0.000 0.000 0.273 143 R C -1.855 174.094 176.300 -0.583 0.000 0.998 143 R CA -0.394 55.451 56.100 -0.425 0.000 0.900 143 R CB 1.176 31.374 30.300 -0.171 0.000 1.223 143 R HN 0.500 nan 8.270 nan 0.000 0.466 144 F N -0.084 119.861 119.950 -0.008 0.000 2.523 144 F HA 0.919 5.446 4.527 -0.000 0.000 0.329 144 F C 1.199 176.996 175.800 -0.005 0.000 1.061 144 F CA -0.516 57.479 58.000 -0.008 0.000 0.967 144 F CB 2.969 41.962 39.000 -0.012 0.000 1.218 144 F HN 0.921 nan 8.300 nan 0.000 0.480 145 G N -0.830 108.088 108.800 0.197 0.000 2.623 145 G HA2 0.464 4.423 3.960 -0.000 0.000 0.290 145 G HA3 0.464 4.423 3.960 -0.000 0.000 0.290 145 G C -0.522 174.428 174.900 0.085 0.000 1.437 145 G CA -0.326 44.836 45.100 0.104 0.000 0.798 145 G HN 0.700 nan 8.290 nan 0.000 0.488 146 T N -2.552 112.035 114.554 0.054 0.000 3.044 146 T HA 0.344 4.694 4.350 -0.000 0.000 0.260 146 T C -0.095 174.625 174.700 0.032 0.000 1.019 146 T CA 0.084 62.209 62.100 0.041 0.000 0.921 146 T CB 0.512 69.398 68.868 0.031 0.000 1.053 146 T HN 0.264 nan 8.240 nan 0.000 0.533 147 E N 1.146 121.363 120.200 0.029 0.000 2.149 147 E HA 0.431 4.780 4.350 -0.000 0.000 0.255 147 E C 0.665 177.274 176.600 0.015 0.000 0.888 147 E CA -0.358 56.054 56.400 0.019 0.000 0.742 147 E CB 1.546 31.254 29.700 0.014 0.000 1.164 147 E HN 0.309 nan 8.360 nan 0.000 0.422 148 I N 1.404 121.981 120.570 0.013 0.000 2.208 148 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 148 I C 1.915 178.029 176.117 -0.005 0.000 1.097 148 I CA 1.320 62.623 61.300 0.005 0.000 1.363 148 I CB 0.058 38.059 38.000 0.002 0.000 1.051 148 I HN 0.439 nan 8.210 nan 0.000 0.413 149 E N 0.304 120.500 120.200 -0.007 0.000 2.204 149 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 149 E C 2.358 178.952 176.600 -0.010 0.000 0.990 149 E CA 1.466 57.858 56.400 -0.013 0.000 0.821 149 E CB -0.157 29.536 29.700 -0.012 0.000 0.750 149 E HN 0.689 nan 8.360 nan 0.000 0.477 150 Q N 0.408 120.205 119.800 -0.005 0.000 2.354 150 Q HA 0.237 4.577 4.340 -0.000 0.000 0.203 150 Q C 2.013 178.009 176.000 -0.006 0.000 0.933 150 Q CA 0.964 56.765 55.803 -0.004 0.000 0.901 150 Q CB -0.162 28.576 28.738 0.001 0.000 1.007 150 Q HN 0.322 nan 8.270 nan 0.000 0.495 151 A N -0.038 122.778 122.820 -0.006 0.000 1.930 151 A HA 0.129 4.449 4.320 -0.000 0.000 0.215 151 A C 2.490 180.065 177.584 -0.015 0.000 1.176 151 A CA 1.320 53.352 52.037 -0.008 0.000 0.632 151 A CB -0.348 18.651 19.000 -0.001 0.000 0.819 151 A HN 0.443 nan 8.150 nan 0.000 0.445 152 V N 0.846 120.747 119.914 -0.021 0.000 2.252 152 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 152 V C -0.245 175.831 176.094 -0.029 0.000 1.056 152 V CA 2.660 64.940 62.300 -0.033 0.000 1.022 152 V CB -1.524 30.270 31.823 -0.048 0.000 0.641 152 V HN 0.407 nan 8.190 nan 0.000 0.445 153 P HA -0.085 nan 4.420 nan 0.000 0.225 153 P C 1.321 178.615 177.300 -0.010 0.000 1.148 153 P CA 0.971 64.062 63.100 -0.015 0.000 0.779 153 P CB -0.019 31.675 31.700 -0.010 0.000 0.780 154 E N -0.532 119.660 120.200 -0.012 0.000 2.250 154 E HA 0.106 4.456 4.350 -0.000 0.000 0.192 154 E C 1.009 177.602 176.600 -0.012 0.000 0.986 154 E CA 0.215 56.608 56.400 -0.011 0.000 0.849 154 E CB -0.395 29.296 29.700 -0.014 0.000 0.797 154 E HN 0.124 nan 8.360 nan 0.000 0.482 155 A N 2.058 124.868 122.820 -0.017 0.000 2.363 155 A HA 0.151 4.471 4.320 -0.000 0.000 0.270 155 A C 0.472 178.044 177.584 -0.020 0.000 1.121 155 A CA -0.460 51.565 52.037 -0.020 0.000 0.800 155 A CB 0.522 19.508 19.000 -0.023 0.000 1.052 155 A HN -0.139 nan 8.150 nan 0.000 0.493 156 D N 1.014 121.404 120.400 -0.017 0.000 2.213 156 D HA 0.098 4.737 4.640 -0.000 0.000 0.205 156 D C 0.185 176.464 176.300 -0.035 0.000 0.961 156 D CA 1.494 55.493 54.000 -0.003 0.000 0.853 156 D CB 0.196 40.998 40.800 0.004 0.000 0.967 156 D HN 0.557 nan 8.370 nan 0.000 0.496 157 I N 0.795 121.327 120.570 -0.064 0.000 2.569 157 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 157 I C -0.946 175.109 176.117 -0.104 0.000 1.088 157 I CA -0.796 60.425 61.300 -0.132 0.000 1.047 157 I CB 3.261 41.155 38.000 -0.176 0.000 1.237 157 I HN -0.244 nan 8.210 nan 0.000 0.421 158 I N 5.322 125.801 120.570 -0.151 0.000 2.433 158 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 158 I C -1.367 174.681 176.117 -0.115 0.000 1.001 158 I CA -0.434 60.833 61.300 -0.056 0.000 1.119 158 I CB 1.356 39.331 38.000 -0.042 0.000 1.289 158 I HN 0.354 nan 8.210 nan 0.000 0.438 159 F N 7.359 127.315 119.950 0.010 0.000 2.415 159 F HA 0.468 4.995 4.527 -0.000 0.000 0.348 159 F C 0.135 175.955 175.800 0.034 0.000 1.119 159 F CA -0.527 57.500 58.000 0.046 0.000 1.069 159 F CB 1.352 40.412 39.000 0.101 0.000 1.124 159 F HN 0.207 nan 8.300 nan 0.000 0.472 160 I N 3.639 124.311 120.570 0.170 0.000 2.312 160 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 160 I C 0.413 176.607 176.117 0.129 0.000 1.031 160 I CA -0.010 61.361 61.300 0.119 0.000 1.293 160 I CB 1.141 39.185 38.000 0.074 0.000 1.403 160 I HN 0.768 nan 8.210 nan 0.000 0.484 161 A N 6.578 129.452 122.820 0.090 0.000 2.585 161 A HA 0.409 4.729 4.320 -0.000 0.000 0.281 161 A C 0.116 177.687 177.584 -0.023 0.000 0.945 161 A CA -0.326 51.731 52.037 0.034 0.000 1.031 161 A CB -0.060 18.956 19.000 0.026 0.000 1.221 161 A HN 0.495 nan 8.150 nan 0.000 0.496 162 V N -2.091 117.823 119.914 -0.001 0.000 3.133 162 V HA 0.770 4.889 4.120 -0.000 0.000 0.305 162 V C 0.896 176.958 176.094 -0.053 0.000 1.084 162 V CA -0.198 62.081 62.300 -0.035 0.000 1.089 162 V CB 0.379 32.214 31.823 0.019 0.000 1.073 162 V HN 0.560 nan 8.190 nan 0.000 0.477 163 G N 1.136 109.860 108.800 -0.127 0.000 2.554 163 G HA2 0.458 4.418 3.960 -0.000 0.000 0.238 163 G HA3 0.458 4.418 3.960 -0.000 0.000 0.238 163 G C 0.278 175.198 174.900 0.032 0.000 1.259 163 G CA 0.293 45.336 45.100 -0.094 0.000 0.843 163 G HN 1.581 nan 8.290 nan 0.000 0.582 164 T N 0.252 114.843 114.554 0.062 0.000 3.401 164 T HA 0.504 4.854 4.350 -0.000 0.000 0.341 164 T C -2.442 172.329 174.700 0.119 0.000 1.674 164 T CA -1.491 60.686 62.100 0.128 0.000 1.600 164 T CB 1.539 70.474 68.868 0.111 0.000 0.974 164 T HN 0.402 nan 8.240 nan 0.000 0.672 165 P HA 0.450 nan 4.420 nan 0.000 0.275 165 P C 0.053 177.419 177.300 0.110 0.000 1.266 165 P CA -0.526 62.638 63.100 0.106 0.000 0.793 165 P CB 0.406 32.170 31.700 0.107 0.000 1.074 166 A N 0.679 123.554 122.820 0.091 0.000 2.524 166 A HA 0.456 4.776 4.320 -0.000 0.000 0.250 166 A C 1.034 178.664 177.584 0.076 0.000 1.078 166 A CA 0.422 52.510 52.037 0.084 0.000 0.761 166 A CB -1.045 17.998 19.000 0.073 0.000 1.012 166 A HN 0.623 nan 8.150 nan 0.000 0.500 167 G N 0.372 109.213 108.800 0.068 0.000 2.616 167 G HA2 0.458 4.418 3.960 -0.000 0.000 0.268 167 G HA3 0.458 4.418 3.960 -0.000 0.000 0.268 167 G C 0.971 175.895 174.900 0.041 0.000 1.213 167 G CA 0.431 45.560 45.100 0.050 0.000 0.926 167 G HN 1.096 nan 8.290 nan 0.000 0.523 168 E N -0.134 120.084 120.200 0.029 0.000 2.130 168 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 168 E C 1.697 178.311 176.600 0.024 0.000 0.998 168 E CA 1.930 58.344 56.400 0.024 0.000 0.806 168 E CB -0.577 29.133 29.700 0.017 0.000 0.738 168 E HN 0.689 nan 8.360 nan 0.000 0.459 169 D N -2.341 118.073 120.400 0.023 0.000 2.395 169 D HA 0.336 4.976 4.640 -0.000 0.000 0.226 169 D C 1.313 177.630 176.300 0.028 0.000 1.146 169 D CA 0.614 54.628 54.000 0.022 0.000 0.830 169 D CB -0.014 40.796 40.800 0.016 0.000 0.958 169 D HN 0.755 nan 8.370 nan 0.000 0.501 170 G N -0.158 108.664 108.800 0.037 0.000 2.253 170 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.251 170 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.251 170 G C 0.556 175.488 174.900 0.054 0.000 0.998 170 G CA 0.257 45.385 45.100 0.048 0.000 0.621 170 G HN 0.453 nan 8.290 nan 0.000 0.524 171 S N 0.983 116.708 115.700 0.042 0.000 2.566 171 S HA 0.500 4.970 4.470 -0.000 0.000 0.280 171 S C 0.912 175.551 174.600 0.065 0.000 1.343 171 S CA 0.214 58.440 58.200 0.042 0.000 1.036 171 S CB 1.219 64.436 63.200 0.028 0.000 0.866 171 S HN 1.660 nan 8.310 nan 0.000 0.526 172 A N 2.120 124.989 122.820 0.081 0.000 2.491 172 A HA 0.155 4.475 4.320 -0.000 0.000 0.261 172 A C 0.270 177.907 177.584 0.088 0.000 1.101 172 A CA -0.377 51.728 52.037 0.114 0.000 0.772 172 A CB -0.068 19.030 19.000 0.162 0.000 1.043 172 A HN 0.730 nan 8.150 nan 0.000 0.501 173 D N 3.146 123.603 120.400 0.094 0.000 2.346 173 D HA 0.143 4.783 4.640 -0.000 0.000 0.260 173 D C 0.574 176.923 176.300 0.082 0.000 1.252 173 D CA -0.001 54.042 54.000 0.073 0.000 0.895 173 D CB 0.373 41.231 40.800 0.096 0.000 1.097 173 D HN 0.384 nan 8.370 nan 0.000 0.489 174 M N 2.515 122.138 119.600 0.039 0.000 2.383 174 M HA -0.032 4.448 4.480 -0.000 0.000 0.247 174 M C 1.748 178.048 176.300 -0.000 0.000 1.117 174 M CA 0.077 55.403 55.300 0.045 0.000 0.995 174 M CB -0.296 32.328 32.600 0.040 0.000 1.480 174 M HN 0.388 nan 8.290 nan 0.000 0.485 175 S N -0.079 115.563 115.700 -0.095 0.000 2.368 175 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 175 S C 1.763 176.257 174.600 -0.177 0.000 1.029 175 S CA 1.077 59.158 58.200 -0.198 0.000 0.988 175 S CB -0.722 62.267 63.200 -0.352 0.000 0.838 175 S HN 0.434 nan 8.310 nan 0.000 0.462 176 Y N 2.010 122.319 120.300 0.015 0.000 2.181 176 Y HA 0.003 4.552 4.550 -0.000 0.000 0.288 176 Y C 2.812 178.719 175.900 0.013 0.000 1.146 176 Y CA 0.617 58.725 58.100 0.013 0.000 1.164 176 Y CB -1.033 37.435 38.460 0.014 0.000 0.982 176 Y HN 0.112 nan 8.280 nan 0.000 0.515 177 V N 0.092 120.104 119.914 0.164 0.000 2.295 177 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 177 V C 2.270 178.399 176.094 0.058 0.000 1.049 177 V CA 1.700 64.061 62.300 0.102 0.000 1.024 177 V CB -0.769 31.110 31.823 0.093 0.000 0.648 177 V HN 0.385 nan 8.190 nan 0.000 0.447 178 L N -0.483 120.761 121.223 0.035 0.000 2.156 178 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 178 L C 2.370 179.241 176.870 0.001 0.000 1.095 178 L CA 1.193 56.039 54.840 0.010 0.000 0.770 178 L CB -0.709 41.347 42.059 -0.004 0.000 0.914 178 L HN 0.319 nan 8.230 nan 0.000 0.439 179 D N 0.600 121.002 120.400 0.004 0.000 2.106 179 D HA -0.220 4.420 4.640 -0.000 0.000 0.191 179 D C 2.220 178.530 176.300 0.016 0.000 0.997 179 D CA 1.770 55.775 54.000 0.008 0.000 0.834 179 D CB -0.058 40.755 40.800 0.022 0.000 0.956 179 D HN 0.302 nan 8.370 nan 0.000 0.448 180 A N 0.753 123.594 122.820 0.035 0.000 1.933 180 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 180 A C 2.302 179.882 177.584 -0.008 0.000 1.175 180 A CA 2.444 54.495 52.037 0.024 0.000 0.628 180 A CB -0.760 18.267 19.000 0.044 0.000 0.814 180 A HN 0.254 nan 8.150 nan 0.000 0.444 181 A N -0.293 122.520 122.820 -0.012 0.000 1.902 181 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 181 A C 2.267 179.809 177.584 -0.069 0.000 1.181 181 A CA 1.541 53.552 52.037 -0.044 0.000 0.623 181 A CB -0.453 18.533 19.000 -0.024 0.000 0.818 181 A HN 0.549 nan 8.150 nan 0.000 0.443 182 R N -0.410 120.063 120.500 -0.045 0.000 2.075 182 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 182 R C 2.530 178.799 176.300 -0.052 0.000 1.126 182 R CA 1.457 57.528 56.100 -0.048 0.000 0.963 182 R CB -0.382 29.900 30.300 -0.031 0.000 0.858 182 R HN 0.504 nan 8.270 nan 0.000 0.435 183 S N 1.104 116.781 115.700 -0.038 0.000 2.370 183 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 183 S C 1.964 176.530 174.600 -0.057 0.000 1.033 183 S CA 1.146 59.325 58.200 -0.035 0.000 1.011 183 S CB -0.194 62.995 63.200 -0.017 0.000 0.852 183 S HN 0.212 nan 8.310 nan 0.000 0.457 184 I N 1.364 121.887 120.570 -0.078 0.000 2.163 184 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 184 I C 2.679 178.704 176.117 -0.152 0.000 1.085 184 I CA 1.298 62.528 61.300 -0.116 0.000 1.347 184 I CB -0.776 37.136 38.000 -0.146 0.000 1.044 184 I HN 0.374 nan 8.210 nan 0.000 0.408 185 G N 0.351 109.051 108.800 -0.168 0.000 2.422 185 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 185 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 185 G C 1.798 176.636 174.900 -0.103 0.000 1.140 185 G CA 0.254 45.249 45.100 -0.176 0.000 0.775 185 G HN 0.284 nan 8.290 nan 0.000 0.545 186 R N 0.204 120.660 120.500 -0.075 0.000 2.148 186 R HA 0.061 4.401 4.340 -0.000 0.000 0.227 186 R C 2.530 178.803 176.300 -0.044 0.000 1.103 186 R CA 1.124 57.195 56.100 -0.048 0.000 0.983 186 R CB -0.099 30.180 30.300 -0.036 0.000 0.874 186 R HN 0.380 nan 8.270 nan 0.000 0.451 187 A N -0.063 122.724 122.820 -0.055 0.000 2.288 187 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 187 A C 0.806 178.361 177.584 -0.048 0.000 1.199 187 A CA -0.369 51.642 52.037 -0.044 0.000 0.891 187 A CB 0.220 19.196 19.000 -0.040 0.000 0.923 187 A HN 0.082 nan 8.150 nan 0.000 0.500 188 M N 1.292 120.849 119.600 -0.071 0.000 2.251 188 M HA 0.012 4.492 4.480 -0.000 0.000 0.343 188 M C 1.209 177.489 176.300 -0.033 0.000 1.245 188 M CA 0.692 55.950 55.300 -0.071 0.000 1.061 188 M CB 0.771 33.303 32.600 -0.113 0.000 1.723 188 M HN 0.451 nan 8.290 nan 0.000 0.449 189 S N 3.113 118.803 115.700 -0.017 0.000 2.604 189 S HA 0.280 4.750 4.470 -0.000 0.000 0.235 189 S C 0.147 174.761 174.600 0.023 0.000 1.043 189 S CA -0.697 57.505 58.200 0.003 0.000 0.997 189 S CB 0.504 63.705 63.200 0.001 0.000 0.956 189 S HN 0.838 nan 8.310 nan 0.000 0.535 190 R N -0.849 119.671 120.500 0.033 0.000 2.764 190 R HA 0.348 4.688 4.340 -0.000 0.000 0.276 190 R C -1.483 174.879 176.300 0.104 0.000 1.021 190 R CA -0.975 55.170 56.100 0.075 0.000 0.870 190 R CB -0.043 30.300 30.300 0.072 0.000 1.293 190 R HN 0.084 nan 8.270 nan 0.000 0.469 191 Y N 1.644 121.968 120.300 0.041 0.000 2.810 191 Y HA 0.283 4.833 4.550 -0.000 0.000 0.332 191 Y C -0.179 175.748 175.900 0.045 0.000 1.243 191 Y CA 0.766 58.902 58.100 0.060 0.000 1.537 191 Y CB 0.408 38.893 38.460 0.042 0.000 1.265 191 Y HN 0.531 nan 8.280 nan 0.000 0.572 192 I N 7.109 127.314 120.570 -0.609 0.000 2.802 192 I HA 0.311 4.481 4.170 -0.000 0.000 0.298 192 I C -1.952 173.772 176.117 -0.654 0.000 1.176 192 I CA -1.365 59.661 61.300 -0.457 0.000 1.025 192 I CB 1.653 39.523 38.000 -0.217 0.000 1.243 192 I HN 0.652 nan 8.210 nan 0.000 0.424 193 L N 7.728 128.723 121.223 -0.381 0.000 2.275 193 L HA 0.589 4.929 4.340 -0.000 0.000 0.288 193 L C -1.272 175.482 176.870 -0.193 0.000 1.046 193 L CA 0.127 54.830 54.840 -0.230 0.000 0.805 193 L CB 1.082 43.082 42.059 -0.098 0.000 1.193 193 L HN 0.389 nan 8.230 nan 0.000 0.426 194 I N 5.887 126.380 120.570 -0.129 0.000 2.339 194 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 194 I C -0.570 175.466 176.117 -0.134 0.000 0.994 194 I CA -0.280 60.940 61.300 -0.133 0.000 1.191 194 I CB 1.738 39.692 38.000 -0.076 0.000 1.343 194 I HN 0.266 nan 8.210 nan 0.000 0.458 195 V N 5.092 124.855 119.914 -0.252 0.000 2.378 195 V HA 0.363 4.483 4.120 -0.000 0.000 0.288 195 V C -0.006 176.050 176.094 -0.064 0.000 1.016 195 V CA -0.613 61.541 62.300 -0.242 0.000 0.840 195 V CB 1.685 33.116 31.823 -0.653 0.000 0.994 195 V HN 0.713 nan 8.190 nan 0.000 0.431 196 T N 4.959 119.533 114.554 0.033 0.000 2.723 196 T HA 0.204 4.554 4.350 -0.000 0.000 0.297 196 T C 0.887 175.657 174.700 0.117 0.000 0.925 196 T CA -0.169 61.983 62.100 0.086 0.000 1.030 196 T CB 1.090 70.010 68.868 0.087 0.000 0.905 196 T HN 0.741 nan 8.240 nan 0.000 0.502 197 K N 2.231 122.727 120.400 0.159 0.000 2.334 197 K HA 0.174 4.494 4.320 -0.000 0.000 0.195 197 K C 0.806 177.414 176.600 0.013 0.000 1.045 197 K CA -0.002 56.360 56.287 0.125 0.000 1.004 197 K CB 0.413 33.047 32.500 0.224 0.000 0.837 197 K HN 0.467 nan 8.250 nan 0.000 0.510 198 S N 1.354 117.068 115.700 0.024 0.000 2.558 198 S HA -0.032 4.438 4.470 -0.000 0.000 0.287 198 S C -0.158 174.427 174.600 -0.025 0.000 1.321 198 S CA 0.134 58.329 58.200 -0.009 0.000 1.048 198 S CB 1.039 64.258 63.200 0.031 0.000 0.844 198 S HN 0.182 nan 8.310 nan 0.000 0.512 199 T N 3.448 117.965 114.554 -0.062 0.000 2.743 199 T HA 0.394 4.744 4.350 -0.000 0.000 0.290 199 T C 0.079 174.796 174.700 0.028 0.000 0.908 199 T CA -0.439 61.591 62.100 -0.117 0.000 1.092 199 T CB -0.588 68.141 68.868 -0.231 0.000 0.882 199 T HN 0.520 nan 8.240 nan 0.000 0.531 200 V N 2.789 122.780 119.914 0.130 0.000 2.735 200 V HA 0.718 4.838 4.120 -0.000 0.000 0.310 200 V C -2.898 173.435 176.094 0.398 0.000 1.061 200 V CA -3.367 59.075 62.300 0.238 0.000 0.913 200 V CB 1.628 33.545 31.823 0.157 0.000 1.005 200 V HN 0.363 nan 8.190 nan 0.000 0.428 201 P HA 0.121 nan 4.420 nan 0.000 0.268 201 P C -0.057 177.313 177.300 0.116 0.000 1.208 201 P CA -0.003 63.153 63.100 0.093 0.000 0.777 201 P CB 0.384 32.081 31.700 -0.004 0.000 0.875 202 V N 2.539 122.487 119.914 0.057 0.000 2.644 202 V HA 0.182 4.302 4.120 -0.000 0.000 0.305 202 V C 1.720 177.881 176.094 0.113 0.000 1.053 202 V CA 2.099 64.465 62.300 0.110 0.000 1.186 202 V CB -0.595 31.266 31.823 0.063 0.000 0.895 202 V HN 1.058 nan 8.190 nan 0.000 0.490 203 G N 3.847 112.776 108.800 0.215 0.000 2.195 203 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.246 203 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.246 203 G C 1.061 175.937 174.900 -0.040 0.000 0.984 203 G CA 0.468 45.623 45.100 0.093 0.000 0.633 203 G HN 0.706 nan 8.290 nan 0.000 0.525 204 S N 0.035 115.790 115.700 0.092 0.000 2.420 204 S HA -0.175 4.295 4.470 -0.000 0.000 0.237 204 S C 1.955 176.593 174.600 0.063 0.000 1.023 204 S CA 2.097 60.337 58.200 0.068 0.000 0.991 204 S CB -0.523 62.749 63.200 0.121 0.000 0.792 204 S HN 1.055 nan 8.310 nan 0.000 0.488 205 Y N 1.469 121.802 120.300 0.054 0.000 2.256 205 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 205 Y C 2.128 178.063 175.900 0.057 0.000 1.155 205 Y CA 0.999 59.133 58.100 0.057 0.000 1.203 205 Y CB -0.553 37.940 38.460 0.055 0.000 0.980 205 Y HN 0.023 nan 8.280 nan 0.000 0.530 206 R N 0.695 120.746 120.500 -0.749 0.000 2.075 206 R HA -0.065 4.274 4.340 -0.000 0.000 0.232 206 R C 2.283 178.475 176.300 -0.180 0.000 1.126 206 R CA 1.766 57.563 56.100 -0.505 0.000 0.963 206 R CB -0.506 29.450 30.300 -0.574 0.000 0.858 206 R HN 0.411 nan 8.270 nan 0.000 0.435 207 L N 0.415 121.559 121.223 -0.131 0.000 2.046 207 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 207 L C 2.360 179.227 176.870 -0.006 0.000 1.077 207 L CA 1.306 56.115 54.840 -0.050 0.000 0.747 207 L CB -0.370 41.669 42.059 -0.033 0.000 0.896 207 L HN 0.167 nan 8.230 nan 0.000 0.432 208 I N -0.543 120.038 120.570 0.019 0.000 2.179 208 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 208 I C 2.845 179.012 176.117 0.084 0.000 1.088 208 I CA 1.296 62.627 61.300 0.051 0.000 1.357 208 I CB -0.339 37.710 38.000 0.082 0.000 1.051 208 I HN 0.230 nan 8.210 nan 0.000 0.409 209 R N 1.544 122.130 120.500 0.143 0.000 2.083 209 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 209 R C 2.341 178.769 176.300 0.213 0.000 1.137 209 R CA 1.940 58.208 56.100 0.279 0.000 0.951 209 R CB -0.228 30.199 30.300 0.211 0.000 0.851 209 R HN 0.193 nan 8.270 nan 0.000 0.434 210 K N -0.191 120.264 120.400 0.092 0.000 2.032 210 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 210 K C 2.011 178.640 176.600 0.048 0.000 1.048 210 K CA 1.571 57.894 56.287 0.059 0.000 0.927 210 K CB -0.242 32.266 32.500 0.012 0.000 0.712 210 K HN 0.317 nan 8.250 nan 0.000 0.441 211 A N 1.211 124.046 122.820 0.025 0.000 1.908 211 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 211 A C 2.083 179.653 177.584 -0.023 0.000 1.181 211 A CA 1.682 53.718 52.037 -0.001 0.000 0.627 211 A CB -0.615 18.380 19.000 -0.010 0.000 0.818 211 A HN 0.353 nan 8.150 nan 0.000 0.445 212 I N -1.176 119.366 120.570 -0.046 0.000 2.202 212 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 212 I C 2.758 178.823 176.117 -0.087 0.000 1.091 212 I CA 1.710 62.904 61.300 -0.177 0.000 1.368 212 I CB -0.355 37.349 38.000 -0.493 0.000 1.058 212 I HN 0.344 nan 8.210 nan 0.000 0.410 213 Q N 1.331 121.191 119.800 0.101 0.000 2.096 213 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 213 Q C 1.950 177.992 176.000 0.069 0.000 0.982 213 Q CA 1.824 57.728 55.803 0.167 0.000 0.850 213 Q CB -0.175 28.686 28.738 0.205 0.000 0.901 213 Q HN 0.450 nan 8.270 nan 0.000 0.422 214 E N -0.375 119.848 120.200 0.038 0.000 2.085 214 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 214 E C 1.838 178.440 176.600 0.004 0.000 0.994 214 E CA 1.226 57.637 56.400 0.018 0.000 0.801 214 E CB -0.004 29.701 29.700 0.008 0.000 0.743 214 E HN 0.391 nan 8.360 nan 0.000 0.453 215 E N 0.502 120.694 120.200 -0.014 0.000 2.150 215 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 215 E C 2.247 178.836 176.600 -0.018 0.000 0.985 215 E CA 0.645 57.030 56.400 -0.024 0.000 0.814 215 E CB -0.125 29.547 29.700 -0.047 0.000 0.752 215 E HN 0.354 nan 8.360 nan 0.000 0.466 216 L N 1.086 122.303 121.223 -0.010 0.000 2.072 216 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 216 L C 1.971 178.855 176.870 0.022 0.000 1.079 216 L CA 1.001 55.847 54.840 0.009 0.000 0.752 216 L CB -0.355 41.730 42.059 0.044 0.000 0.906 216 L HN -0.035 nan 8.230 nan 0.000 0.436 217 D N 0.412 120.829 120.400 0.028 0.000 2.144 217 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 217 D C 2.163 178.471 176.300 0.013 0.000 0.984 217 D CA 1.071 55.085 54.000 0.024 0.000 0.834 217 D CB -0.047 40.769 40.800 0.026 0.000 0.955 217 D HN 0.297 nan 8.370 nan 0.000 0.465 218 K N 0.487 120.892 120.400 0.007 0.000 2.057 218 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 218 K C 1.988 178.590 176.600 0.003 0.000 1.049 218 K CA 0.782 57.071 56.287 0.003 0.000 0.931 218 K CB -0.113 32.386 32.500 -0.002 0.000 0.714 218 K HN 0.088 nan 8.250 nan 0.000 0.440 219 R N 1.235 121.736 120.500 0.002 0.000 2.323 219 R HA -0.010 4.330 4.340 -0.000 0.000 0.198 219 R C -0.228 176.076 176.300 0.007 0.000 0.988 219 R CA 0.158 56.258 56.100 0.002 0.000 1.041 219 R CB -0.120 30.179 30.300 -0.002 0.000 0.926 219 R HN 0.282 nan 8.270 nan 0.000 0.476 220 E N 0.044 120.250 120.200 0.010 0.000 2.328 220 E HA -0.186 4.164 4.350 -0.000 0.000 0.233 220 E C -0.167 176.443 176.600 0.017 0.000 1.219 220 E CA 0.675 57.083 56.400 0.013 0.000 0.717 220 E CB -1.782 27.924 29.700 0.010 0.000 1.210 220 E HN 0.278 nan 8.360 nan 0.000 0.381 221 V N -2.786 117.140 119.914 0.020 0.000 2.966 221 V HA 0.669 4.788 4.120 -0.000 0.000 0.317 221 V C 0.241 176.359 176.094 0.039 0.000 1.070 221 V CA -1.048 61.268 62.300 0.026 0.000 1.008 221 V CB 1.904 33.740 31.823 0.022 0.000 1.070 221 V HN 0.198 nan 8.190 nan 0.000 0.457 222 L N 3.586 124.835 121.223 0.043 0.000 2.384 222 L HA 0.600 4.940 4.340 -0.000 0.000 0.261 222 L C -0.986 175.926 176.870 0.070 0.000 1.024 222 L CA 0.000 54.873 54.840 0.054 0.000 0.899 222 L CB 0.936 43.019 42.059 0.039 0.000 1.243 222 L HN 0.608 nan 8.230 nan 0.000 0.449 223 I N 1.229 121.861 120.570 0.102 0.000 2.512 223 I HA 0.300 4.469 4.170 -0.000 0.000 0.287 223 I C -0.676 175.565 176.117 0.207 0.000 1.069 223 I CA -0.808 60.573 61.300 0.134 0.000 1.056 223 I CB 2.258 40.326 38.000 0.113 0.000 1.229 223 I HN 0.310 nan 8.210 nan 0.000 0.429 224 D N 5.985 126.505 120.400 0.201 0.000 2.357 224 D HA 0.492 5.132 4.640 -0.000 0.000 0.242 224 D C -0.580 175.919 176.300 0.333 0.000 1.153 224 D CA 0.695 54.821 54.000 0.210 0.000 0.918 224 D CB 1.010 41.935 40.800 0.208 0.000 1.181 224 D HN 0.334 nan 8.370 nan 0.000 0.435 225 F N -1.748 118.238 119.950 0.059 0.000 2.711 225 F HA 0.520 5.047 4.527 -0.000 0.000 0.313 225 F C -1.191 174.573 175.800 -0.060 0.000 1.141 225 F CA -1.067 56.820 58.000 -0.187 0.000 0.941 225 F CB 1.400 40.270 39.000 -0.216 0.000 1.349 225 F HN -0.027 nan 8.300 nan 0.000 0.464 226 D N 1.460 121.843 120.400 -0.028 0.000 2.419 226 D HA 0.643 5.283 4.640 -0.000 0.000 0.234 226 D C -0.872 175.507 176.300 0.130 0.000 1.014 226 D CA -0.187 53.833 54.000 0.033 0.000 0.919 226 D CB 2.920 43.792 40.800 0.121 0.000 1.366 226 D HN 0.781 nan 8.370 nan 0.000 0.490 227 I N -2.026 118.612 120.570 0.114 0.000 2.646 227 I HA 0.877 5.047 4.170 -0.000 0.000 0.299 227 I C -0.908 175.251 176.117 0.071 0.000 1.036 227 I CA -0.835 60.544 61.300 0.132 0.000 1.074 227 I CB 2.182 40.314 38.000 0.219 0.000 1.258 227 I HN 0.335 nan 8.210 nan 0.000 0.430 228 A N 3.230 126.077 122.820 0.044 0.000 2.594 228 A HA 0.786 5.106 4.320 -0.000 0.000 0.291 228 A C -1.073 176.530 177.584 0.031 0.000 1.105 228 A CA -0.643 51.411 52.037 0.028 0.000 0.694 228 A CB 1.873 20.895 19.000 0.036 0.000 1.291 228 A HN 0.776 nan 8.150 nan 0.000 0.410 229 S N 0.324 116.040 115.700 0.027 0.000 2.454 229 S HA 0.572 5.042 4.470 -0.000 0.000 0.306 229 S C -0.588 174.046 174.600 0.056 0.000 1.100 229 S CA -0.562 57.662 58.200 0.041 0.000 1.087 229 S CB 0.387 63.599 63.200 0.019 0.000 1.019 229 S HN 0.735 nan 8.310 nan 0.000 0.480 230 N N 5.044 123.794 118.700 0.085 0.000 2.725 230 N HA 0.333 5.073 4.740 -0.000 0.000 0.248 230 N C -3.005 172.526 175.510 0.034 0.000 1.402 230 N CA -1.612 51.502 53.050 0.107 0.000 0.766 230 N CB 1.043 39.704 38.487 0.289 0.000 1.223 230 N HN 0.340 nan 8.380 nan 0.000 0.515 231 P HA 0.031 nan 4.420 nan 0.000 0.269 231 P C -0.840 176.140 177.300 -0.533 0.000 1.215 231 P CA 0.221 63.138 63.100 -0.306 0.000 0.780 231 P CB 0.569 32.028 31.700 -0.401 0.000 0.898 232 E N 0.645 120.519 120.200 -0.544 0.000 2.204 232 E HA 0.454 4.803 4.350 -0.000 0.000 0.276 232 E C -1.156 175.028 176.600 -0.693 0.000 0.974 232 E CA -0.332 55.799 56.400 -0.448 0.000 0.815 232 E CB 0.403 29.992 29.700 -0.184 0.000 1.119 232 E HN 0.229 nan 8.360 nan 0.000 0.393 233 F N 1.761 121.720 119.950 0.014 0.000 2.835 233 F HA 0.317 4.844 4.527 -0.000 0.000 0.342 233 F C -0.538 175.297 175.800 0.058 0.000 1.202 233 F CA -0.608 57.401 58.000 0.016 0.000 1.240 233 F CB 0.183 39.163 39.000 -0.032 0.000 1.005 233 F HN 0.281 nan 8.300 nan 0.000 0.507 234 L N 1.119 122.470 121.223 0.213 0.000 2.395 234 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 234 L C 0.170 177.202 176.870 0.271 0.000 1.133 234 L CA -0.519 54.473 54.840 0.252 0.000 0.812 234 L CB 1.032 43.274 42.059 0.306 0.000 1.125 234 L HN 0.063 nan 8.230 nan 0.000 0.452 235 K N 2.112 122.604 120.400 0.154 0.000 2.235 235 K HA 0.284 4.604 4.320 -0.000 0.000 0.266 235 K C -0.585 175.935 176.600 -0.134 0.000 0.980 235 K CA -0.683 55.624 56.287 0.032 0.000 0.849 235 K CB 1.603 34.120 32.500 0.027 0.000 1.098 235 K HN 0.475 nan 8.250 nan 0.000 0.445 236 E N 0.521 120.443 120.200 -0.464 0.000 2.529 236 E HA -0.113 4.237 4.350 -0.000 0.000 0.259 236 E C 0.883 177.334 176.600 -0.247 0.000 0.966 236 E CA 1.239 57.268 56.400 -0.618 0.000 0.937 236 E CB 0.337 29.691 29.700 -0.576 0.000 0.923 236 E HN 0.915 nan 8.360 nan 0.000 0.468 237 G N 3.895 112.614 108.800 -0.136 0.000 2.241 237 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.244 237 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.244 237 G C 0.632 175.508 174.900 -0.041 0.000 0.998 237 G CA 0.404 45.478 45.100 -0.043 0.000 0.621 237 G HN 0.584 nan 8.290 nan 0.000 0.519 238 N N 0.011 118.686 118.700 -0.042 0.000 2.466 238 N HA 0.602 5.342 4.740 -0.000 0.000 0.272 238 N C 1.562 177.088 175.510 0.028 0.000 1.455 238 N CA 1.313 54.357 53.050 -0.009 0.000 0.875 238 N CB 0.050 38.531 38.487 -0.010 0.000 1.372 238 N HN 0.558 nan 8.380 nan 0.000 0.492 239 A N -0.000 122.844 122.820 0.041 0.000 1.929 239 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 239 A C 1.930 179.576 177.584 0.104 0.000 1.176 239 A CA 0.829 52.930 52.037 0.106 0.000 0.628 239 A CB -0.403 18.696 19.000 0.165 0.000 0.816 239 A HN 0.403 nan 8.150 nan 0.000 0.444 240 I N -0.336 120.266 120.570 0.053 0.000 2.142 240 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 240 I C 2.326 178.496 176.117 0.087 0.000 1.078 240 I CA 1.922 63.252 61.300 0.049 0.000 1.343 240 I CB -0.435 37.568 38.000 0.004 0.000 1.046 240 I HN 0.326 nan 8.210 nan 0.000 0.405 241 D N 1.042 121.477 120.400 0.059 0.000 2.123 241 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 241 D C 1.736 178.076 176.300 0.067 0.000 0.992 241 D CA 1.462 55.494 54.000 0.054 0.000 0.833 241 D CB -0.051 40.768 40.800 0.032 0.000 0.954 241 D HN 0.195 nan 8.370 nan 0.000 0.455 242 D N -1.042 119.409 120.400 0.084 0.000 2.144 242 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 242 D C 1.700 178.055 176.300 0.091 0.000 0.978 242 D CA 0.487 54.539 54.000 0.086 0.000 0.833 242 D CB -0.406 40.462 40.800 0.113 0.000 0.961 242 D HN 0.298 nan 8.370 nan 0.000 0.470 243 F N 0.532 120.480 119.950 -0.004 0.000 2.128 243 F HA -0.115 4.412 4.527 -0.000 0.000 0.295 243 F C 2.198 177.981 175.800 -0.028 0.000 1.100 243 F CA 0.961 58.939 58.000 -0.035 0.000 1.260 243 F CB 0.062 39.002 39.000 -0.099 0.000 1.009 243 F HN -0.191 nan 8.300 nan 0.000 0.476 244 M N 0.659 120.367 119.600 0.179 0.000 2.200 244 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 244 M C 1.278 177.590 176.300 0.020 0.000 1.066 244 M CA 1.433 56.800 55.300 0.111 0.000 1.127 244 M CB -1.408 31.264 32.600 0.119 0.000 1.379 244 M HN 0.091 nan 8.290 nan 0.000 0.420 245 K N 2.000 122.404 120.400 0.007 0.000 2.961 245 K HA 0.412 4.732 4.320 -0.000 0.000 0.187 245 K C -2.677 173.900 176.600 -0.038 0.000 1.110 245 K CA -1.351 54.928 56.287 -0.014 0.000 0.968 245 K CB -0.766 31.735 32.500 0.002 0.000 1.287 245 K HN 0.199 nan 8.250 nan 0.000 0.578 246 P HA 0.267 nan 4.420 nan 0.000 0.278 246 P C -0.493 176.751 177.300 -0.093 0.000 1.238 246 P CA -0.180 62.866 63.100 -0.090 0.000 0.794 246 P CB 1.428 33.037 31.700 -0.151 0.000 0.955 247 D N 0.807 121.147 120.400 -0.100 0.000 2.144 247 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 247 D C 1.084 177.300 176.300 -0.141 0.000 0.984 247 D CA 1.683 55.612 54.000 -0.117 0.000 0.834 247 D CB 0.183 40.898 40.800 -0.143 0.000 0.955 247 D HN 0.469 nan 8.370 nan 0.000 0.465 248 R N -0.953 119.443 120.500 -0.173 0.000 2.716 248 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 248 R C -1.822 174.373 176.300 -0.175 0.000 1.028 248 R CA -0.751 55.241 56.100 -0.180 0.000 0.883 248 R CB 0.709 30.892 30.300 -0.194 0.000 1.250 248 R HN -0.180 nan 8.270 nan 0.000 0.465 249 V N 1.221 121.003 119.914 -0.221 0.000 2.417 249 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 249 V C -0.309 175.647 176.094 -0.231 0.000 1.024 249 V CA -0.873 61.262 62.300 -0.274 0.000 0.861 249 V CB 1.813 33.297 31.823 -0.564 0.000 0.985 249 V HN 0.500 nan 8.190 nan 0.000 0.436 250 V N 5.772 125.640 119.914 -0.076 0.000 2.398 250 V HA 0.534 4.653 4.120 -0.000 0.000 0.286 250 V C -0.303 175.721 176.094 -0.117 0.000 1.026 250 V CA -0.430 61.835 62.300 -0.058 0.000 0.868 250 V CB 1.855 33.770 31.823 0.154 0.000 0.982 250 V HN 0.612 nan 8.190 nan 0.000 0.443 251 V N 3.856 123.646 119.914 -0.207 0.000 2.525 251 V HA 0.672 4.792 4.120 -0.000 0.000 0.299 251 V C 0.496 176.590 176.094 0.000 0.000 1.034 251 V CA -0.473 61.747 62.300 -0.133 0.000 0.863 251 V CB 1.977 33.622 31.823 -0.296 0.000 0.999 251 V HN 0.925 nan 8.190 nan 0.000 0.423 252 G N 3.735 112.555 108.800 0.033 0.000 2.319 252 G HA2 0.652 4.611 3.960 -0.000 0.000 0.308 252 G HA3 0.652 4.611 3.960 -0.000 0.000 0.308 252 G C -0.586 174.336 174.900 0.037 0.000 1.117 252 G CA -0.350 44.764 45.100 0.023 0.000 0.903 252 G HN 0.981 nan 8.290 nan 0.000 0.436 253 V N 0.359 120.310 119.914 0.062 0.000 3.078 253 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 253 V C -0.455 175.632 176.094 -0.013 0.000 1.138 253 V CA -0.913 61.414 62.300 0.045 0.000 1.007 253 V CB 2.553 34.442 31.823 0.111 0.000 1.045 253 V HN 0.607 nan 8.190 nan 0.000 0.432 254 D N 0.120 120.508 120.400 -0.020 0.000 2.582 254 D HA 0.300 4.940 4.640 -0.000 0.000 0.246 254 D C 0.157 176.448 176.300 -0.015 0.000 1.334 254 D CA 0.591 54.576 54.000 -0.025 0.000 0.805 254 D CB 0.291 41.072 40.800 -0.031 0.000 1.087 254 D HN 1.077 nan 8.370 nan 0.000 0.499 255 S N -1.189 114.504 115.700 -0.012 0.000 2.550 255 S HA 0.382 4.852 4.470 -0.000 0.000 0.270 255 S C -0.253 174.325 174.600 -0.037 0.000 1.145 255 S CA -0.711 57.479 58.200 -0.018 0.000 0.852 255 S CB 1.991 65.193 63.200 0.003 0.000 1.119 255 S HN -0.229 nan 8.310 nan 0.000 0.465 256 D N 1.319 121.688 120.400 -0.053 0.000 2.117 256 D HA -0.039 4.600 4.640 -0.000 0.000 0.197 256 D C 1.850 178.111 176.300 -0.064 0.000 0.987 256 D CA 1.225 55.179 54.000 -0.078 0.000 0.829 256 D CB -0.127 40.628 40.800 -0.075 0.000 0.961 256 D HN 0.608 nan 8.370 nan 0.000 0.460 257 R N 0.538 121.013 120.500 -0.042 0.000 2.081 257 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 257 R C 2.077 178.396 176.300 0.032 0.000 1.131 257 R CA 1.423 57.502 56.100 -0.036 0.000 0.960 257 R CB -0.197 30.050 30.300 -0.088 0.000 0.856 257 R HN 0.188 nan 8.270 nan 0.000 0.436 258 A N 1.012 123.875 122.820 0.071 0.000 1.902 258 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 258 A C 2.183 179.811 177.584 0.073 0.000 1.181 258 A CA 1.545 53.639 52.037 0.096 0.000 0.623 258 A CB -0.595 18.459 19.000 0.091 0.000 0.818 258 A HN 0.414 nan 8.150 nan 0.000 0.443 259 R N -0.527 119.970 120.500 -0.005 0.000 2.083 259 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 259 R C 2.329 178.580 176.300 -0.082 0.000 1.137 259 R CA 2.309 58.333 56.100 -0.128 0.000 0.951 259 R CB -0.521 29.552 30.300 -0.379 0.000 0.851 259 R HN 0.548 nan 8.270 nan 0.000 0.434 260 E N 0.840 121.002 120.200 -0.065 0.000 2.077 260 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 260 E C 1.781 178.401 176.600 0.034 0.000 0.989 260 E CA 1.435 57.819 56.400 -0.026 0.000 0.800 260 E CB -0.771 28.906 29.700 -0.037 0.000 0.746 260 E HN 0.307 nan 8.360 nan 0.000 0.452 261 L N -0.112 121.142 121.223 0.052 0.000 2.072 261 L HA 0.105 4.445 4.340 -0.000 0.000 0.205 261 L C 2.452 179.376 176.870 0.090 0.000 1.079 261 L CA 1.478 56.358 54.840 0.066 0.000 0.752 261 L CB -0.281 41.828 42.059 0.084 0.000 0.906 261 L HN 0.423 nan 8.230 nan 0.000 0.436 262 I N -1.344 119.320 120.570 0.157 0.000 2.353 262 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 262 I C 2.136 178.459 176.117 0.343 0.000 1.119 262 I CA 1.270 62.725 61.300 0.258 0.000 1.417 262 I CB -0.515 37.712 38.000 0.380 0.000 1.078 262 I HN 0.213 nan 8.210 nan 0.000 0.421 263 T N 0.197 114.957 114.554 0.343 0.000 2.684 263 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 263 T C 2.088 176.909 174.700 0.203 0.000 1.036 263 T CA 1.978 64.271 62.100 0.322 0.000 1.148 263 T CB -0.364 68.634 68.868 0.216 0.000 0.863 263 T HN 0.542 nan 8.240 nan 0.000 0.436 264 S N 1.311 117.085 115.700 0.124 0.000 2.423 264 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 264 S C 2.019 176.648 174.600 0.048 0.000 1.014 264 S CA 0.705 58.949 58.200 0.074 0.000 0.965 264 S CB -0.511 62.714 63.200 0.041 0.000 0.785 264 S HN 0.312 nan 8.310 nan 0.000 0.495 265 L N 0.139 121.374 121.223 0.020 0.000 2.072 265 L HA 0.235 4.575 4.340 -0.000 0.000 0.205 265 L C 1.952 178.770 176.870 -0.087 0.000 1.079 265 L CA 1.639 56.411 54.840 -0.113 0.000 0.752 265 L CB -0.858 41.034 42.059 -0.278 0.000 0.906 265 L HN 0.284 nan 8.230 nan 0.000 0.436 266 Y N -0.575 119.815 120.300 0.151 0.000 2.490 266 Y HA 0.034 4.584 4.550 -0.000 0.000 0.285 266 Y C 2.499 178.462 175.900 0.104 0.000 1.117 266 Y CA 0.780 58.967 58.100 0.146 0.000 1.262 266 Y CB -0.254 38.276 38.460 0.116 0.000 1.043 266 Y HN 0.134 nan 8.280 nan 0.000 0.553 267 K N 0.370 120.906 120.400 0.228 0.000 2.103 267 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 267 K C -0.980 175.692 176.600 0.118 0.000 1.048 267 K CA 1.485 57.865 56.287 0.155 0.000 0.930 267 K CB -0.862 31.713 32.500 0.125 0.000 0.716 267 K HN 0.198 nan 8.250 nan 0.000 0.444 268 P HA -0.059 nan 4.420 nan 0.000 0.242 268 P C 0.803 178.166 177.300 0.104 0.000 1.197 268 P CA 0.861 64.015 63.100 0.090 0.000 0.765 268 P CB 0.180 31.926 31.700 0.076 0.000 0.936 269 M N -1.644 118.039 119.600 0.138 0.000 2.398 269 M HA 0.086 4.566 4.480 -0.000 0.000 0.261 269 M C 0.637 176.995 176.300 0.097 0.000 1.125 269 M CA 0.967 56.349 55.300 0.138 0.000 1.183 269 M CB 0.061 32.786 32.600 0.208 0.000 1.322 269 M HN -0.185 nan 8.290 nan 0.000 0.467 276 V N 1.643 121.482 119.914 -0.125 0.000 2.334 276 V HA 0.602 4.721 4.120 -0.000 0.000 0.281 276 V C -0.516 175.423 176.094 -0.257 0.000 1.016 276 V CA -1.088 61.065 62.300 -0.246 0.000 0.832 276 V CB 1.499 33.172 31.823 -0.251 0.000 0.999 276 V HN 0.444 nan 8.190 nan 0.000 0.439 277 L N 6.242 127.287 121.223 -0.298 0.000 2.270 277 L HA 0.488 4.828 4.340 -0.000 0.000 0.286 277 L C -0.314 176.394 176.870 -0.270 0.000 1.059 277 L CA 0.249 54.974 54.840 -0.192 0.000 0.839 277 L CB 0.046 42.030 42.059 -0.125 0.000 1.221 277 L HN 0.370 nan 8.230 nan 0.000 0.431 278 F N 5.008 124.950 119.950 -0.012 0.000 2.396 278 F HA 0.667 5.194 4.527 -0.000 0.000 0.343 278 F C 0.669 176.462 175.800 -0.012 0.000 1.104 278 F CA -0.279 57.717 58.000 -0.006 0.000 1.161 278 F CB 0.963 39.962 39.000 -0.001 0.000 1.146 278 F HN 0.442 nan 8.300 nan 0.000 0.522 279 M N 1.162 120.864 119.600 0.170 0.000 2.924 279 M HA 0.472 4.952 4.480 -0.000 0.000 0.271 279 M C -1.528 174.802 176.300 0.050 0.000 1.280 279 M CA -1.148 54.201 55.300 0.081 0.000 0.813 279 M CB 2.047 34.669 32.600 0.035 0.000 1.658 279 M HN 0.485 nan 8.290 nan 0.000 0.467 280 D N 0.929 121.332 120.400 0.005 0.000 2.361 280 D HA 0.202 4.842 4.640 -0.000 0.000 0.239 280 D C 0.863 177.102 176.300 -0.103 0.000 1.200 280 D CA -0.295 53.676 54.000 -0.048 0.000 0.915 280 D CB 1.559 42.330 40.800 -0.047 0.000 1.170 280 D HN 0.760 nan 8.370 nan 0.000 0.444 281 I N 0.719 121.139 120.570 -0.250 0.000 2.179 281 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 281 I C 2.742 178.705 176.117 -0.257 0.000 1.088 281 I CA 1.580 62.657 61.300 -0.373 0.000 1.357 281 I CB -0.578 36.918 38.000 -0.840 0.000 1.051 281 I HN 0.531 nan 8.210 nan 0.000 0.409 282 A N 0.500 123.184 122.820 -0.227 0.000 1.917 282 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 282 A C 2.500 180.104 177.584 0.033 0.000 1.182 282 A CA 2.487 54.538 52.037 0.022 0.000 0.633 282 A CB -0.815 18.247 19.000 0.102 0.000 0.819 282 A HN 0.426 nan 8.150 nan 0.000 0.448 283 S N -0.421 115.282 115.700 0.004 0.000 2.383 283 S HA 0.046 4.516 4.470 -0.000 0.000 0.227 283 S C 2.275 176.899 174.600 0.040 0.000 1.026 283 S CA 1.012 59.226 58.200 0.023 0.000 0.981 283 S CB -0.403 62.804 63.200 0.011 0.000 0.818 283 S HN 0.807 nan 8.310 nan 0.000 0.472 284 A N 1.769 124.604 122.820 0.025 0.000 1.902 284 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 284 A C 1.989 179.618 177.584 0.076 0.000 1.181 284 A CA 1.438 53.501 52.037 0.045 0.000 0.623 284 A CB -0.553 18.458 19.000 0.018 0.000 0.818 284 A HN 0.533 nan 8.150 nan 0.000 0.443 285 E N -1.266 118.985 120.200 0.086 0.000 2.058 285 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 285 E C 1.978 178.716 176.600 0.229 0.000 0.997 285 E CA 1.616 58.108 56.400 0.153 0.000 0.801 285 E CB -0.279 29.530 29.700 0.182 0.000 0.746 285 E HN 0.575 nan 8.360 nan 0.000 0.450 286 M N 0.730 120.437 119.600 0.177 0.000 2.159 286 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 286 M C 2.046 178.456 176.300 0.184 0.000 1.063 286 M CA 1.673 57.083 55.300 0.182 0.000 1.110 286 M CB -0.411 32.246 32.600 0.095 0.000 1.374 286 M HN -0.052 nan 8.290 nan 0.000 0.411 287 T N 0.144 114.783 114.554 0.140 0.000 2.720 287 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 287 T C 1.731 176.543 174.700 0.187 0.000 1.037 287 T CA 1.886 64.067 62.100 0.135 0.000 1.144 287 T CB -0.284 68.662 68.868 0.131 0.000 0.864 287 T HN 0.323 nan 8.240 nan 0.000 0.444 288 K N 0.464 120.968 120.400 0.173 0.000 2.057 288 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 288 K C 1.841 178.449 176.600 0.013 0.000 1.049 288 K CA 1.528 57.871 56.287 0.093 0.000 0.931 288 K CB -0.685 31.728 32.500 -0.146 0.000 0.714 288 K HN 0.441 nan 8.250 nan 0.000 0.440 289 Y N 0.123 120.468 120.300 0.074 0.000 2.200 289 Y HA -0.049 4.501 4.550 -0.000 0.000 0.290 289 Y C 2.294 178.209 175.900 0.024 0.000 1.137 289 Y CA 1.389 59.520 58.100 0.051 0.000 1.163 289 Y CB -0.640 37.847 38.460 0.045 0.000 0.988 289 Y HN 0.179 nan 8.280 nan 0.000 0.518 290 A N 0.143 123.073 122.820 0.184 0.000 1.908 290 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 290 A C 2.434 180.022 177.584 0.008 0.000 1.181 290 A CA 1.887 53.971 52.037 0.078 0.000 0.627 290 A CB -1.262 17.773 19.000 0.058 0.000 0.818 290 A HN 0.420 nan 8.150 nan 0.000 0.445 291 A N 0.177 123.008 122.820 0.019 0.000 1.858 291 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 291 A C 1.973 179.496 177.584 -0.102 0.000 1.190 291 A CA 2.038 54.051 52.037 -0.040 0.000 0.617 291 A CB -0.706 18.314 19.000 0.034 0.000 0.827 291 A HN 0.524 nan 8.150 nan 0.000 0.443 292 N N 0.172 118.842 118.700 -0.051 0.000 2.120 292 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 292 N C 1.812 177.065 175.510 -0.428 0.000 1.024 292 N CA 1.592 54.540 53.050 -0.169 0.000 0.852 292 N CB -0.524 37.988 38.487 0.041 0.000 1.003 292 N HN 0.451 nan 8.380 nan 0.000 0.424 293 A N 0.237 122.940 122.820 -0.195 0.000 1.933 293 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 293 A C 2.189 179.644 177.584 -0.216 0.000 1.175 293 A CA 1.451 53.379 52.037 -0.182 0.000 0.628 293 A CB -0.461 18.522 19.000 -0.028 0.000 0.814 293 A HN 0.270 nan 8.150 nan 0.000 0.444 294 M N -0.193 119.294 119.600 -0.189 0.000 2.200 294 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 294 M C 1.726 177.899 176.300 -0.212 0.000 1.066 294 M CA 1.447 56.650 55.300 -0.162 0.000 1.127 294 M CB -0.667 31.853 32.600 -0.133 0.000 1.379 294 M HN 0.336 nan 8.290 nan 0.000 0.420 295 L N -0.348 120.663 121.223 -0.352 0.000 2.056 295 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 295 L C 2.594 179.276 176.870 -0.314 0.000 1.078 295 L CA 1.161 55.795 54.840 -0.343 0.000 0.749 295 L CB -1.369 40.345 42.059 -0.576 0.000 0.901 295 L HN 0.398 nan 8.230 nan 0.000 0.433 296 A N -0.245 122.114 122.820 -0.770 0.000 1.940 296 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 296 A C 2.387 179.892 177.584 -0.130 0.000 1.176 296 A CA 2.433 54.063 52.037 -0.678 0.000 0.631 296 A CB -0.999 17.497 19.000 -0.839 0.000 0.814 296 A HN 0.412 nan 8.150 nan 0.000 0.446 297 T N -0.422 114.073 114.554 -0.098 0.000 2.746 297 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 297 T C 2.040 176.806 174.700 0.110 0.000 1.039 297 T CA 1.594 63.716 62.100 0.035 0.000 1.142 297 T CB -0.235 68.632 68.868 -0.001 0.000 0.866 297 T HN 0.538 nan 8.240 nan 0.000 0.444 298 R N 0.247 120.791 120.500 0.073 0.000 2.081 298 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 298 R C 2.415 178.854 176.300 0.231 0.000 1.131 298 R CA 1.226 57.399 56.100 0.122 0.000 0.960 298 R CB -0.463 29.916 30.300 0.131 0.000 0.856 298 R HN 0.403 nan 8.270 nan 0.000 0.436 299 I N 0.005 120.720 120.570 0.241 0.000 2.163 299 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 299 I C 2.223 178.508 176.117 0.279 0.000 1.081 299 I CA 1.250 62.712 61.300 0.269 0.000 1.353 299 I CB -0.248 37.961 38.000 0.350 0.000 1.054 299 I HN 0.066 nan 8.210 nan 0.000 0.407 300 S N 0.640 116.525 115.700 0.309 0.000 2.382 300 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 300 S C 1.883 176.605 174.600 0.203 0.000 1.027 300 S CA 1.382 59.729 58.200 0.245 0.000 0.991 300 S CB -0.516 62.834 63.200 0.250 0.000 0.823 300 S HN 0.404 nan 8.310 nan 0.000 0.469 301 F N 2.180 122.183 119.950 0.088 0.000 2.065 301 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 301 F C 2.181 178.014 175.800 0.056 0.000 1.112 301 F CA 1.546 59.582 58.000 0.060 0.000 1.212 301 F CB -0.214 38.814 39.000 0.047 0.000 0.975 301 F HN 0.112 nan 8.300 nan 0.000 0.476 302 M N 0.331 120.120 119.600 0.314 0.000 2.296 302 M HA -0.169 4.311 4.480 -0.000 0.000 0.265 302 M C 1.746 178.078 176.300 0.053 0.000 1.064 302 M CA 1.080 56.485 55.300 0.175 0.000 1.109 302 M CB -1.447 31.279 32.600 0.210 0.000 1.396 302 M HN 0.234 nan 8.290 nan 0.000 0.430 303 N N 0.877 119.620 118.700 0.072 0.000 2.142 303 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 303 N C 1.291 176.793 175.510 -0.012 0.000 1.023 303 N CA 1.168 54.245 53.050 0.045 0.000 0.852 303 N CB -0.327 38.204 38.487 0.073 0.000 0.998 303 N HN 0.283 nan 8.380 nan 0.000 0.424 304 D N 0.389 120.754 120.400 -0.059 0.000 2.117 304 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 304 D C 2.049 178.260 176.300 -0.149 0.000 0.987 304 D CA 0.489 54.426 54.000 -0.105 0.000 0.829 304 D CB -0.158 40.553 40.800 -0.147 0.000 0.961 304 D HN -0.023 nan 8.370 nan 0.000 0.460 305 V N 1.257 121.031 119.914 -0.233 0.000 2.295 305 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 305 V C 2.519 178.566 176.094 -0.078 0.000 1.049 305 V CA 1.791 63.974 62.300 -0.196 0.000 1.024 305 V CB -0.790 30.889 31.823 -0.240 0.000 0.648 305 V HN 0.183 nan 8.190 nan 0.000 0.447 306 A N 0.658 123.456 122.820 -0.037 0.000 1.883 306 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 306 A C 2.044 179.627 177.584 -0.001 0.000 1.186 306 A CA 2.214 54.251 52.037 0.000 0.000 0.624 306 A CB -0.723 18.293 19.000 0.027 0.000 0.822 306 A HN 0.614 nan 8.150 nan 0.000 0.444 307 N N -0.235 118.460 118.700 -0.008 0.000 2.166 307 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 307 N C 1.540 177.043 175.510 -0.011 0.000 1.019 307 N CA 1.413 54.461 53.050 -0.003 0.000 0.856 307 N CB -0.615 37.871 38.487 -0.001 0.000 0.993 307 N HN 0.414 nan 8.380 nan 0.000 0.426 308 L N 1.059 122.264 121.223 -0.029 0.000 2.046 308 L HA -0.067 4.272 4.340 -0.000 0.000 0.208 308 L C 2.134 178.993 176.870 -0.018 0.000 1.077 308 L CA 1.370 56.193 54.840 -0.028 0.000 0.747 308 L CB -0.933 41.098 42.059 -0.048 0.000 0.896 308 L HN 0.136 nan 8.230 nan 0.000 0.432 309 C N -0.091 119.199 119.300 -0.016 0.000 2.396 309 C HA -0.207 4.253 4.460 -0.000 0.000 0.277 309 C C 2.625 177.616 174.990 0.002 0.000 1.231 309 C CA 1.218 60.233 59.018 -0.004 0.000 1.775 309 C CB -0.993 26.749 27.740 0.002 0.000 2.036 309 C HN 0.586 nan 8.230 nan 0.000 0.484 310 E N -0.194 120.009 120.200 0.005 0.000 2.153 310 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 310 E C 2.334 178.937 176.600 0.006 0.000 0.988 310 E CA 0.935 57.340 56.400 0.009 0.000 0.811 310 E CB -0.104 29.604 29.700 0.014 0.000 0.746 310 E HN 0.646 nan 8.360 nan 0.000 0.466 311 R N 0.156 120.657 120.500 0.002 0.000 2.200 311 R HA -0.027 4.313 4.340 -0.000 0.000 0.208 311 R C 2.098 178.398 176.300 -0.001 0.000 1.033 311 R CA 0.984 57.084 56.100 0.000 0.000 1.000 311 R CB 0.267 30.566 30.300 -0.001 0.000 0.906 311 R HN 0.137 nan 8.270 nan 0.000 0.462 312 V N -3.534 116.379 119.914 -0.001 0.000 3.528 312 V HA 0.460 4.579 4.120 -0.000 0.000 0.294 312 V C 0.854 176.949 176.094 0.001 0.000 1.404 312 V CA 0.276 62.576 62.300 -0.001 0.000 1.065 312 V CB 0.320 32.142 31.823 -0.003 0.000 0.904 312 V HN 0.328 nan 8.190 nan 0.000 0.435 313 G N 0.385 109.186 108.800 0.002 0.000 2.198 313 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.257 313 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.257 313 G C 0.249 175.153 174.900 0.006 0.000 1.042 313 G CA 0.417 45.519 45.100 0.004 0.000 0.791 313 G HN 1.639 nan 8.290 nan 0.000 0.502 314 A N -0.586 122.237 122.820 0.006 0.000 2.282 314 A HA 0.681 5.000 4.320 -0.000 0.000 0.319 314 A C 0.004 177.596 177.584 0.013 0.000 1.121 314 A CA -0.032 52.011 52.037 0.009 0.000 0.836 314 A CB 1.031 20.036 19.000 0.008 0.000 1.146 314 A HN 0.372 nan 8.150 nan 0.000 0.494 315 D N 1.811 122.221 120.400 0.017 0.000 2.412 315 D HA 0.183 4.823 4.640 -0.000 0.000 0.224 315 D C 0.849 177.165 176.300 0.028 0.000 1.093 315 D CA -0.220 53.793 54.000 0.022 0.000 0.850 315 D CB 1.422 42.236 40.800 0.022 0.000 1.046 315 D HN 0.132 nan 8.370 nan 0.000 0.507 316 V N 3.825 123.758 119.914 0.031 0.000 2.568 316 V HA -0.204 3.916 4.120 -0.000 0.000 0.253 316 V C 1.900 178.022 176.094 0.047 0.000 1.072 316 V CA 2.072 64.395 62.300 0.037 0.000 1.084 316 V CB -0.145 31.702 31.823 0.039 0.000 0.676 316 V HN 0.549 nan 8.190 nan 0.000 0.469 317 S N -0.313 115.419 115.700 0.053 0.000 2.382 317 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 317 S C 1.868 176.496 174.600 0.046 0.000 1.027 317 S CA 1.830 60.067 58.200 0.061 0.000 0.991 317 S CB -0.272 62.969 63.200 0.069 0.000 0.823 317 S HN 0.492 nan 8.310 nan 0.000 0.469 318 M N 0.720 120.343 119.600 0.037 0.000 2.200 318 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 318 M C 2.180 178.496 176.300 0.028 0.000 1.066 318 M CA 0.974 56.292 55.300 0.030 0.000 1.127 318 M CB -1.387 31.229 32.600 0.026 0.000 1.379 318 M HN 0.169 nan 8.290 nan 0.000 0.420 319 V N 0.060 119.993 119.914 0.031 0.000 2.307 319 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 319 V C 2.559 178.676 176.094 0.038 0.000 1.045 319 V CA 1.832 64.154 62.300 0.036 0.000 1.024 319 V CB -0.811 31.035 31.823 0.039 0.000 0.651 319 V HN 0.448 nan 8.190 nan 0.000 0.449 320 R N -0.088 120.431 120.500 0.031 0.000 2.096 320 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 320 R C 2.299 178.593 176.300 -0.009 0.000 1.139 320 R CA 1.924 58.026 56.100 0.004 0.000 0.952 320 R CB -0.367 29.918 30.300 -0.024 0.000 0.854 320 R HN 0.448 nan 8.270 nan 0.000 0.436 321 L N -0.566 120.659 121.223 0.003 0.000 2.017 321 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 321 L C 2.613 179.488 176.870 0.007 0.000 1.073 321 L CA 1.505 56.347 54.840 0.005 0.000 0.745 321 L CB -0.820 41.250 42.059 0.017 0.000 0.894 321 L HN 0.502 nan 8.230 nan 0.000 0.432 322 G N 0.657 109.466 108.800 0.015 0.000 2.432 322 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 322 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 322 G C 1.529 176.439 174.900 0.016 0.000 1.135 322 G CA 1.040 46.150 45.100 0.017 0.000 0.767 322 G HN 0.575 nan 8.290 nan 0.000 0.550 323 I N -2.390 118.192 120.570 0.020 0.000 3.081 323 I HA 0.340 4.510 4.170 -0.000 0.000 0.274 323 I C 2.412 178.526 176.117 -0.006 0.000 1.178 323 I CA 0.879 62.190 61.300 0.017 0.000 1.460 323 I CB -0.236 37.791 38.000 0.046 0.000 1.137 323 I HN -0.006 nan 8.210 nan 0.000 0.443 324 G N 1.611 110.402 108.800 -0.015 0.000 2.484 324 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 324 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 324 G C 1.647 176.532 174.900 -0.024 0.000 1.130 324 G CA 0.856 45.937 45.100 -0.032 0.000 0.784 324 G HN 0.584 nan 8.290 nan 0.000 0.543 325 S N -0.184 115.508 115.700 -0.014 0.000 2.555 325 S HA -0.005 4.464 4.470 -0.000 0.000 0.230 325 S C 0.678 175.272 174.600 -0.010 0.000 0.978 325 S CA 0.219 58.414 58.200 -0.009 0.000 0.934 325 S CB 0.099 63.298 63.200 -0.002 0.000 0.766 325 S HN 0.270 nan 8.310 nan 0.000 0.533 326 D N 2.461 122.853 120.400 -0.014 0.000 2.295 326 D HA 0.225 4.865 4.640 -0.000 0.000 0.248 326 D C 1.288 177.574 176.300 -0.023 0.000 1.154 326 D CA 0.233 54.223 54.000 -0.016 0.000 0.857 326 D CB 1.690 42.479 40.800 -0.018 0.000 1.117 326 D HN 0.217 nan 8.370 nan 0.000 0.468 327 S N 4.267 119.954 115.700 -0.021 0.000 2.440 327 S HA -0.200 4.270 4.470 -0.000 0.000 0.238 327 S C 1.613 176.193 174.600 -0.033 0.000 1.010 327 S CA 0.678 58.863 58.200 -0.025 0.000 0.972 327 S CB -0.138 63.049 63.200 -0.021 0.000 0.774 327 S HN 0.566 nan 8.310 nan 0.000 0.501 328 R N 0.308 120.787 120.500 -0.035 0.000 2.189 328 R HA 0.206 4.546 4.340 -0.000 0.000 0.223 328 R C 1.829 178.094 176.300 -0.058 0.000 1.092 328 R CA 1.523 57.596 56.100 -0.044 0.000 0.989 328 R CB -0.341 29.934 30.300 -0.041 0.000 0.876 328 R HN 0.516 nan 8.270 nan 0.000 0.457 329 I N -1.082 119.454 120.570 -0.057 0.000 3.194 329 I HA 0.179 4.349 4.170 -0.000 0.000 0.271 329 I C 0.845 176.926 176.117 -0.060 0.000 1.150 329 I CA 0.369 61.625 61.300 -0.073 0.000 1.440 329 I CB 0.162 38.115 38.000 -0.078 0.000 1.276 329 I HN 0.235 nan 8.210 nan 0.000 0.457 330 G N 1.307 110.080 108.800 -0.045 0.000 2.716 330 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 330 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 330 G C 0.403 175.281 174.900 -0.036 0.000 1.337 330 G CA -0.023 45.056 45.100 -0.036 0.000 0.829 330 G HN 0.388 nan 8.290 nan 0.000 0.599 331 S N -0.378 115.304 115.700 -0.030 0.000 2.556 331 S HA 0.278 4.748 4.470 -0.000 0.000 0.216 331 S C 0.823 175.380 174.600 -0.072 0.000 0.970 331 S CA 0.743 58.912 58.200 -0.052 0.000 0.912 331 S CB 0.327 63.507 63.200 -0.033 0.000 0.790 331 S HN 0.719 nan 8.310 nan 0.000 0.504 332 K N 0.719 121.115 120.400 -0.006 0.000 2.098 332 K HA 0.410 4.730 4.320 -0.000 0.000 0.261 332 K C -0.819 175.871 176.600 0.151 0.000 0.987 332 K CA -0.826 55.505 56.287 0.072 0.000 0.916 332 K CB 0.254 32.830 32.500 0.127 0.000 1.039 332 K HN 0.103 nan 8.250 nan 0.000 0.455 333 F N 1.534 121.474 119.950 -0.016 0.000 3.039 333 F HA -0.228 4.299 4.527 -0.000 0.000 0.287 333 F C -0.058 175.732 175.800 -0.016 0.000 0.956 333 F CA 0.325 58.353 58.000 0.047 0.000 0.971 333 F CB -0.736 38.304 39.000 0.067 0.000 0.943 333 F HN 0.520 nan 8.300 nan 0.000 0.766 334 L N -0.230 120.912 121.223 -0.135 0.000 3.184 334 L HA 0.186 4.526 4.340 -0.000 0.000 0.283 334 L C -0.204 176.581 176.870 -0.140 0.000 1.218 334 L CA -0.202 54.567 54.840 -0.118 0.000 1.028 334 L CB 0.181 42.140 42.059 -0.167 0.000 1.400 334 L HN 0.024 nan 8.230 nan 0.000 0.591 335 Y N 2.666 122.955 120.300 -0.018 0.000 2.452 335 Y HA 0.239 4.789 4.550 -0.000 0.000 0.348 335 Y C -1.610 174.294 175.900 0.007 0.000 0.985 335 Y CA -2.513 55.578 58.100 -0.016 0.000 1.214 335 Y CB -0.039 38.385 38.460 -0.059 0.000 1.136 335 Y HN 0.022 nan 8.280 nan 0.000 0.523 336 P HA 0.445 nan 4.420 nan 0.000 0.272 336 P C 0.210 177.579 177.300 0.115 0.000 1.240 336 P CA 0.075 63.252 63.100 0.129 0.000 0.791 336 P CB 1.908 33.668 31.700 0.099 0.000 0.978 337 G N -0.879 107.975 108.800 0.090 0.000 2.393 337 G HA2 0.137 4.097 3.960 -0.000 0.000 0.264 337 G HA3 0.137 4.097 3.960 -0.000 0.000 0.264 337 G C -0.020 174.918 174.900 0.063 0.000 1.221 337 G CA -0.047 45.094 45.100 0.068 0.000 0.912 337 G HN 0.596 nan 8.290 nan 0.000 0.483 338 C N 0.256 119.587 119.300 0.051 0.000 2.559 338 C HA 0.682 5.141 4.460 -0.000 0.000 0.300 338 C C 1.359 176.367 174.990 0.030 0.000 1.288 338 C CA -0.019 59.027 59.018 0.047 0.000 1.699 338 C CB -1.363 26.406 27.740 0.048 0.000 1.819 338 C HN 2.440 nan 8.230 nan 0.000 0.600 339 G N 0.397 109.223 108.800 0.042 0.000 2.555 339 G HA2 0.188 4.148 3.960 -0.000 0.000 0.686 339 G HA3 0.188 4.148 3.960 -0.000 0.000 0.686 339 G C -0.887 174.074 174.900 0.101 0.000 1.275 339 G CA -0.394 44.714 45.100 0.013 0.000 0.871 339 G HN 1.274 nan 8.290 nan 0.000 0.603 340 Y N -0.212 120.175 120.300 0.146 0.000 2.320 340 Y HA 0.838 5.387 4.550 -0.000 0.000 0.324 340 Y C 0.781 176.773 175.900 0.154 0.000 1.190 340 Y CA -0.365 57.851 58.100 0.194 0.000 1.215 340 Y CB 1.505 40.175 38.460 0.349 0.000 1.221 340 Y HN 1.244 nan 8.280 nan 0.000 0.486 341 G N -0.082 108.921 108.800 0.339 0.000 3.183 341 G HA2 0.676 4.636 3.960 -0.000 0.000 0.247 341 G HA3 0.676 4.636 3.960 -0.000 0.000 0.247 341 G C -0.241 174.514 174.900 -0.242 0.000 1.211 341 G CA -0.654 44.525 45.100 0.133 0.000 0.835 341 G HN 1.629 nan 8.290 nan 0.000 0.604 342 G N -1.615 106.720 108.800 -0.775 0.000 2.631 342 G HA2 0.155 4.115 3.960 -0.000 0.000 0.504 342 G HA3 0.155 4.115 3.960 -0.000 0.000 0.504 342 G C 0.539 175.036 174.900 -0.671 0.000 1.306 342 G CA 0.427 44.494 45.100 -1.722 0.000 0.897 342 G HN 1.445 nan 8.290 nan 0.000 0.520 343 S N -0.651 114.722 115.700 -0.546 0.000 2.634 343 S HA 0.247 4.717 4.470 -0.000 0.000 0.221 343 S C 1.267 175.813 174.600 -0.091 0.000 0.952 343 S CA 0.921 59.005 58.200 -0.195 0.000 0.930 343 S CB -0.074 63.075 63.200 -0.085 0.000 0.780 343 S HN 0.804 nan 8.310 nan 0.000 0.498 344 C N -0.291 118.936 119.300 -0.122 0.000 2.756 344 C HA 0.346 4.806 4.460 -0.000 0.000 0.318 344 C C 1.914 177.013 174.990 0.181 0.000 1.888 344 C CA -0.277 58.749 59.018 0.014 0.000 2.168 344 C CB -1.172 26.554 27.740 -0.024 0.000 1.758 344 C HN 0.457 nan 8.230 nan 0.000 0.722 345 F N 2.189 122.132 119.950 -0.011 0.000 2.069 345 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 345 F C -0.295 175.570 175.800 0.108 0.000 1.113 345 F CA 1.269 59.257 58.000 -0.020 0.000 1.214 345 F CB -2.791 36.075 39.000 -0.225 0.000 0.978 345 F HN 0.180 nan 8.300 nan 0.000 0.474 346 P HA -0.187 nan 4.420 nan 0.000 0.215 346 P C 1.405 178.830 177.300 0.209 0.000 1.157 346 P CA 2.329 65.621 63.100 0.320 0.000 0.868 346 P CB -0.197 31.626 31.700 0.206 0.000 0.788 347 K N -0.913 119.584 120.400 0.161 0.000 2.097 347 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 347 K C 1.487 178.201 176.600 0.191 0.000 1.050 347 K CA 1.694 58.068 56.287 0.145 0.000 0.938 347 K CB -0.903 31.662 32.500 0.108 0.000 0.718 347 K HN -0.025 nan 8.250 nan 0.000 0.442 348 D N 0.991 121.517 120.400 0.210 0.000 2.149 348 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 348 D C 2.101 178.588 176.300 0.312 0.000 0.972 348 D CA 0.976 55.149 54.000 0.288 0.000 0.835 348 D CB -0.138 40.743 40.800 0.134 0.000 0.966 348 D HN 0.080 nan 8.370 nan 0.000 0.476 349 V N 0.991 121.030 119.914 0.209 0.000 2.307 349 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 349 V C 2.400 178.579 176.094 0.142 0.000 1.045 349 V CA 1.412 63.807 62.300 0.158 0.000 1.024 349 V CB -0.374 31.536 31.823 0.145 0.000 0.651 349 V HN 0.058 nan 8.190 nan 0.000 0.449 350 K N 1.285 121.773 120.400 0.147 0.000 2.020 350 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 350 K C 2.092 178.745 176.600 0.088 0.000 1.050 350 K CA 2.083 58.436 56.287 0.109 0.000 0.929 350 K CB -0.988 31.576 32.500 0.107 0.000 0.714 350 K HN 0.379 nan 8.250 nan 0.000 0.443 351 A N 0.379 123.271 122.820 0.120 0.000 1.908 351 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 351 A C 2.187 179.731 177.584 -0.067 0.000 1.181 351 A CA 1.757 53.835 52.037 0.068 0.000 0.627 351 A CB -0.758 18.363 19.000 0.201 0.000 0.818 351 A HN 0.357 nan 8.150 nan 0.000 0.445 352 L N -0.201 120.990 121.223 -0.054 0.000 2.056 352 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 352 L C 2.261 179.112 176.870 -0.032 0.000 1.078 352 L CA 1.593 56.360 54.840 -0.122 0.000 0.749 352 L CB -0.424 41.629 42.059 -0.010 0.000 0.901 352 L HN 0.440 nan 8.230 nan 0.000 0.433 353 I N -0.963 119.618 120.570 0.019 0.000 2.208 353 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 353 I C 2.636 178.763 176.117 0.016 0.000 1.097 353 I CA 1.207 62.524 61.300 0.028 0.000 1.363 353 I CB -0.295 37.729 38.000 0.039 0.000 1.051 353 I HN 0.257 nan 8.210 nan 0.000 0.413 354 R N 0.941 121.445 120.500 0.007 0.000 2.066 354 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 354 R C 2.197 178.491 176.300 -0.010 0.000 1.131 354 R CA 2.160 58.262 56.100 0.003 0.000 0.955 354 R CB -1.160 29.144 30.300 0.008 0.000 0.851 354 R HN 0.215 nan 8.270 nan 0.000 0.432 355 T N 0.719 115.248 114.554 -0.041 0.000 2.653 355 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 355 T C 1.770 176.467 174.700 -0.004 0.000 1.035 355 T CA 1.876 63.944 62.100 -0.052 0.000 1.154 355 T CB -0.668 68.122 68.868 -0.130 0.000 0.862 355 T HN 0.454 nan 8.240 nan 0.000 0.441 356 A N 1.477 124.313 122.820 0.026 0.000 1.865 356 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 356 A C 2.213 179.848 177.584 0.085 0.000 1.191 356 A CA 2.013 54.111 52.037 0.101 0.000 0.623 356 A CB -0.751 18.339 19.000 0.150 0.000 0.826 356 A HN 0.597 nan 8.150 nan 0.000 0.444 357 E N -0.304 119.922 120.200 0.042 0.000 2.085 357 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 357 E C 1.500 178.117 176.600 0.027 0.000 0.994 357 E CA 1.241 57.657 56.400 0.026 0.000 0.801 357 E CB -0.241 29.466 29.700 0.012 0.000 0.743 357 E HN 0.537 nan 8.360 nan 0.000 0.453 358 D N 0.280 120.692 120.400 0.020 0.000 2.221 358 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 358 D C 1.008 177.321 176.300 0.022 0.000 0.982 358 D CA 0.823 54.832 54.000 0.015 0.000 0.857 358 D CB -0.192 40.611 40.800 0.004 0.000 0.934 358 D HN 0.148 nan 8.370 nan 0.000 0.475 359 N N -0.349 118.374 118.700 0.038 0.000 2.251 359 N HA 0.127 4.866 4.740 -0.000 0.000 0.217 359 N C 0.830 176.386 175.510 0.076 0.000 1.124 359 N CA 0.379 53.457 53.050 0.046 0.000 0.843 359 N CB 1.331 39.841 38.487 0.038 0.000 1.024 359 N HN 0.106 nan 8.380 nan 0.000 0.501 360 G N 1.303 110.147 108.800 0.073 0.000 2.198 360 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 360 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 360 G C -0.461 174.522 174.900 0.138 0.000 1.025 360 G CA 0.341 45.487 45.100 0.077 0.000 0.769 360 G HN 0.481 nan 8.290 nan 0.000 0.507 361 Y N 0.628 120.927 120.300 -0.003 0.000 2.446 361 Y HA 0.654 5.204 4.550 -0.000 0.000 0.345 361 Y C 0.404 176.304 175.900 0.000 0.000 0.984 361 Y CA -1.671 56.429 58.100 -0.001 0.000 1.058 361 Y CB 1.119 39.578 38.460 -0.003 0.000 1.220 361 Y HN 0.375 nan 8.280 nan 0.000 0.455 362 R N 6.321 126.413 120.500 -0.680 0.000 2.255 362 R HA 0.419 4.759 4.340 -0.000 0.000 0.326 362 R C -1.287 174.712 176.300 -0.503 0.000 0.986 362 R CA -0.695 55.150 56.100 -0.425 0.000 0.847 362 R CB 0.731 30.855 30.300 -0.293 0.000 1.111 362 R HN 0.575 nan 8.270 nan 0.000 0.452 363 M N 4.055 123.557 119.600 -0.163 0.000 2.775 363 M HA 0.088 4.568 4.480 -0.000 0.000 0.313 363 M C 0.679 176.959 176.300 -0.033 0.000 1.429 363 M CA 0.339 55.623 55.300 -0.027 0.000 1.494 363 M CB 0.461 33.102 32.600 0.069 0.000 1.274 363 M HN 0.777 nan 8.290 nan 0.000 0.491 364 E N 1.451 121.615 120.200 -0.060 0.000 2.051 364 E HA -0.121 4.228 4.350 -0.000 0.000 0.192 364 E C 1.733 178.341 176.600 0.013 0.000 0.991 364 E CA 1.142 57.524 56.400 -0.031 0.000 0.799 364 E CB 0.238 29.915 29.700 -0.039 0.000 0.748 364 E HN 0.481 nan 8.360 nan 0.000 0.449 365 V N 1.915 121.848 119.914 0.033 0.000 2.255 365 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 365 V C 2.464 178.593 176.094 0.058 0.000 1.051 365 V CA 1.585 63.916 62.300 0.052 0.000 1.018 365 V CB -0.536 31.321 31.823 0.057 0.000 0.641 365 V HN 0.259 nan 8.190 nan 0.000 0.445 366 L N -0.467 120.789 121.223 0.054 0.000 2.083 366 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 366 L C 2.611 179.522 176.870 0.068 0.000 1.083 366 L CA 1.578 56.456 54.840 0.063 0.000 0.752 366 L CB -0.643 41.452 42.059 0.060 0.000 0.899 366 L HN 0.418 nan 8.230 nan 0.000 0.433 367 E N 0.156 120.384 120.200 0.046 0.000 2.110 367 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 367 E C 2.277 178.907 176.600 0.050 0.000 0.988 367 E CA 1.146 57.571 56.400 0.042 0.000 0.804 367 E CB -0.102 29.608 29.700 0.016 0.000 0.745 367 E HN 0.505 nan 8.360 nan 0.000 0.458 368 A N 0.867 123.716 122.820 0.050 0.000 1.929 368 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 368 A C 2.477 180.107 177.584 0.078 0.000 1.176 368 A CA 0.797 52.867 52.037 0.054 0.000 0.628 368 A CB -0.503 18.528 19.000 0.050 0.000 0.816 368 A HN 0.098 nan 8.150 nan 0.000 0.444 369 V N 0.168 120.143 119.914 0.102 0.000 2.332 369 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 369 V C 2.482 178.680 176.094 0.173 0.000 1.055 369 V CA 2.355 64.746 62.300 0.151 0.000 1.038 369 V CB -0.714 31.202 31.823 0.155 0.000 0.651 369 V HN 0.627 nan 8.190 nan 0.000 0.450 370 E N -0.332 119.956 120.200 0.145 0.000 2.051 370 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 370 E C 2.553 179.187 176.600 0.056 0.000 0.991 370 E CA 1.145 57.620 56.400 0.125 0.000 0.799 370 E CB -0.088 29.675 29.700 0.105 0.000 0.748 370 E HN 0.523 nan 8.360 nan 0.000 0.449 371 R N 0.135 120.664 120.500 0.049 0.000 2.081 371 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 371 R C 2.451 178.762 176.300 0.018 0.000 1.131 371 R CA 1.146 57.263 56.100 0.027 0.000 0.960 371 R CB -0.348 29.968 30.300 0.027 0.000 0.856 371 R HN 0.077 nan 8.270 nan 0.000 0.436 372 V N 1.596 121.530 119.914 0.033 0.000 2.343 372 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 372 V C 1.949 178.042 176.094 -0.001 0.000 1.051 372 V CA 2.009 64.326 62.300 0.028 0.000 1.036 372 V CB -0.644 31.212 31.823 0.054 0.000 0.654 372 V HN 0.371 nan 8.190 nan 0.000 0.451 373 N N -0.044 118.637 118.700 -0.032 0.000 2.142 373 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 373 N C 1.842 177.260 175.510 -0.153 0.000 1.023 373 N CA 1.211 54.155 53.050 -0.178 0.000 0.852 373 N CB -0.090 38.086 38.487 -0.518 0.000 0.998 373 N HN 0.383 nan 8.380 nan 0.000 0.424 374 E N 0.693 120.837 120.200 -0.094 0.000 2.077 374 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 374 E C 1.739 178.320 176.600 -0.032 0.000 0.989 374 E CA 1.031 57.396 56.400 -0.059 0.000 0.800 374 E CB -0.157 29.526 29.700 -0.028 0.000 0.746 374 E HN 0.509 nan 8.360 nan 0.000 0.452 375 K N 0.481 120.871 120.400 -0.015 0.000 2.148 375 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 375 K C 2.213 178.819 176.600 0.010 0.000 1.050 375 K CA 0.981 57.271 56.287 0.005 0.000 0.942 375 K CB -0.073 32.434 32.500 0.013 0.000 0.724 375 K HN -0.051 nan 8.250 nan 0.000 0.446 376 Q N 1.618 121.415 119.800 -0.006 0.000 2.224 376 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 376 Q C 1.156 177.163 176.000 0.012 0.000 0.970 376 Q CA 1.489 57.296 55.803 0.007 0.000 0.865 376 Q CB 0.171 28.908 28.738 -0.002 0.000 0.922 376 Q HN 0.151 nan 8.270 nan 0.000 0.445 377 K N -1.065 119.329 120.400 -0.011 0.000 2.439 377 K HA 0.059 4.379 4.320 -0.000 0.000 0.197 377 K C 1.522 178.137 176.600 0.024 0.000 1.041 377 K CA 0.862 57.146 56.287 -0.004 0.000 0.970 377 K CB 0.251 32.732 32.500 -0.031 0.000 0.773 377 K HN 0.012 nan 8.250 nan 0.000 0.479 378 S N 0.806 116.533 115.700 0.044 0.000 2.558 378 S HA 0.145 4.615 4.470 -0.000 0.000 0.217 378 S C 1.610 176.300 174.600 0.150 0.000 0.975 378 S CA 0.113 58.369 58.200 0.093 0.000 0.912 378 S CB 0.079 63.328 63.200 0.083 0.000 0.776 378 S HN 0.211 nan 8.310 nan 0.000 0.526 379 I N 1.410 122.049 120.570 0.116 0.000 2.252 379 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 379 I C 2.017 178.237 176.117 0.171 0.000 1.102 379 I CA 1.218 62.593 61.300 0.125 0.000 1.385 379 I CB -0.468 37.585 38.000 0.090 0.000 1.064 379 I HN 0.304 nan 8.210 nan 0.000 0.414 380 L N -0.062 121.275 121.223 0.190 0.000 2.012 380 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 380 L C 2.655 179.761 176.870 0.392 0.000 1.073 380 L CA 1.604 56.614 54.840 0.284 0.000 0.748 380 L CB -0.687 41.521 42.059 0.247 0.000 0.891 380 L HN 0.173 nan 8.230 nan 0.000 0.431 381 F N 1.233 121.291 119.950 0.181 0.000 2.134 381 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 381 F C 2.145 178.137 175.800 0.321 0.000 1.097 381 F CA 1.732 59.884 58.000 0.253 0.000 1.264 381 F CB -0.223 38.843 39.000 0.111 0.000 1.001 381 F HN 0.112 nan 8.300 nan 0.000 0.479 382 D N 0.456 120.992 120.400 0.225 0.000 2.144 382 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 382 D C 2.180 178.500 176.300 0.033 0.000 0.984 382 D CA 1.079 55.144 54.000 0.108 0.000 0.834 382 D CB -0.256 40.640 40.800 0.159 0.000 0.955 382 D HN 0.287 nan 8.370 nan 0.000 0.465 383 K N 0.403 120.864 120.400 0.101 0.000 2.026 383 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 383 K C 2.158 178.812 176.600 0.090 0.000 1.048 383 K CA 0.495 56.836 56.287 0.091 0.000 0.929 383 K CB -0.877 31.691 32.500 0.113 0.000 0.713 383 K HN 0.225 nan 8.250 nan 0.000 0.439 384 F N 2.331 122.265 119.950 -0.027 0.000 2.069 384 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 384 F C 2.708 178.486 175.800 -0.037 0.000 1.113 384 F CA 1.991 59.979 58.000 -0.020 0.000 1.214 384 F CB -0.712 38.374 39.000 0.144 0.000 0.978 384 F HN 0.028 nan 8.300 nan 0.000 0.474 385 S N -0.796 114.616 115.700 -0.480 0.000 2.356 385 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 385 S C 2.044 176.502 174.600 -0.237 0.000 1.032 385 S CA 2.028 59.928 58.200 -0.500 0.000 1.005 385 S CB -0.829 62.079 63.200 -0.486 0.000 0.867 385 S HN 0.575 nan 8.310 nan 0.000 0.449 386 T N 0.504 114.976 114.554 -0.137 0.000 2.788 386 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 386 T C 1.430 176.067 174.700 -0.104 0.000 1.044 386 T CA 1.596 63.647 62.100 -0.082 0.000 1.139 386 T CB -0.571 68.279 68.868 -0.030 0.000 0.867 386 T HN 0.597 nan 8.240 nan 0.000 0.454 387 Y N 0.701 120.854 120.300 -0.244 0.000 2.145 387 Y HA -0.151 4.399 4.550 -0.000 0.000 0.286 387 Y C 1.401 177.039 175.900 -0.437 0.000 1.145 387 Y CA 1.117 59.007 58.100 -0.349 0.000 1.148 387 Y CB -0.336 37.857 38.460 -0.444 0.000 0.981 387 Y HN 0.299 nan 8.280 nan 0.000 0.507 388 Y N 1.124 121.287 120.300 -0.228 0.000 2.470 388 Y HA 0.137 4.687 4.550 -0.000 0.000 0.302 388 Y C 0.479 176.234 175.900 -0.241 0.000 1.194 388 Y CA -0.209 57.725 58.100 -0.278 0.000 1.271 388 Y CB -0.271 37.993 38.460 -0.327 0.000 1.092 388 Y HN -0.034 nan 8.280 nan 0.000 0.513 389 K N 0.056 120.376 120.400 -0.134 0.000 3.012 389 K HA -0.287 4.033 4.320 -0.000 0.000 0.259 389 K C 1.171 177.733 176.600 -0.063 0.000 0.989 389 K CA 0.645 56.871 56.287 -0.101 0.000 0.728 389 K CB -1.889 30.550 32.500 -0.102 0.000 1.260 389 K HN 0.792 nan 8.250 nan 0.000 0.480 390 G N 0.260 109.017 108.800 -0.072 0.000 2.179 390 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 390 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 390 G C -0.102 174.780 174.900 -0.030 0.000 0.977 390 G CA 0.322 45.398 45.100 -0.041 0.000 0.641 390 G HN 0.454 nan 8.290 nan 0.000 0.533 391 N N 0.357 119.031 118.700 -0.044 0.000 2.767 391 N HA 0.464 5.203 4.740 -0.000 0.000 0.238 391 N C 1.208 176.661 175.510 -0.095 0.000 1.083 391 N CA 0.325 53.350 53.050 -0.042 0.000 0.964 391 N CB 0.853 39.321 38.487 -0.032 0.000 1.252 391 N HN 0.730 nan 8.380 nan 0.000 0.512 392 V N -0.794 119.088 119.914 -0.053 0.000 3.562 392 V HA 0.305 4.425 4.120 -0.000 0.000 0.270 392 V C 0.731 176.869 176.094 0.073 0.000 1.418 392 V CA -0.247 62.032 62.300 -0.035 0.000 1.033 392 V CB -0.528 31.304 31.823 0.015 0.000 0.820 392 V HN 0.340 nan 8.190 nan 0.000 0.441 393 Q N 1.801 121.638 119.800 0.063 0.000 2.304 393 Q HA 0.177 4.517 4.340 -0.000 0.000 0.315 393 Q C 1.500 177.524 176.000 0.041 0.000 1.075 393 Q CA 1.774 57.615 55.803 0.063 0.000 0.988 393 Q CB 0.464 29.226 28.738 0.040 0.000 1.146 393 Q HN 1.022 nan 8.270 nan 0.000 0.383 394 G N 3.255 112.085 108.800 0.050 0.000 2.196 394 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.268 394 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.268 394 G C 0.174 175.091 174.900 0.028 0.000 0.975 394 G CA 0.469 45.587 45.100 0.031 0.000 0.648 394 G HN 0.562 nan 8.290 nan 0.000 0.538 395 R N -0.452 120.077 120.500 0.049 0.000 2.543 395 R HA 0.395 4.734 4.340 -0.000 0.000 0.277 395 R C 0.623 176.961 176.300 0.063 0.000 1.074 395 R CA 0.072 56.198 56.100 0.043 0.000 1.076 395 R CB 0.899 31.237 30.300 0.063 0.000 0.993 395 R HN 0.319 nan 8.270 nan 0.000 0.459 396 C N 4.859 124.180 119.300 0.034 0.000 2.514 396 C HA 0.508 4.968 4.460 -0.000 0.000 0.392 396 C C 0.323 175.331 174.990 0.031 0.000 1.294 396 C CA -0.346 58.688 59.018 0.027 0.000 1.957 396 C CB -0.614 27.135 27.740 0.015 0.000 2.541 396 C HN 0.625 nan 8.230 nan 0.000 0.569 397 V N 3.854 123.779 119.914 0.018 0.000 3.102 397 V HA 1.016 5.136 4.120 -0.000 0.000 0.312 397 V C -0.247 175.859 176.094 0.020 0.000 1.135 397 V CA -0.437 61.870 62.300 0.010 0.000 1.022 397 V CB 1.488 33.319 31.823 0.013 0.000 1.056 397 V HN 1.320 nan 8.190 nan 0.000 0.436 398 A N 2.829 125.660 122.820 0.019 0.000 2.386 398 A HA 0.929 5.249 4.320 -0.000 0.000 0.311 398 A C -0.876 176.743 177.584 0.058 0.000 1.068 398 A CA -0.748 51.298 52.037 0.014 0.000 0.743 398 A CB 1.355 20.326 19.000 -0.048 0.000 1.258 398 A HN 0.945 nan 8.150 nan 0.000 0.429 399 I N 1.530 122.157 120.570 0.095 0.000 2.389 399 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 399 I C -1.179 175.092 176.117 0.256 0.000 0.999 399 I CA -0.367 61.012 61.300 0.132 0.000 1.129 399 I CB 1.513 39.552 38.000 0.065 0.000 1.288 399 I HN 0.621 nan 8.210 nan 0.000 0.444 400 W N 5.557 126.811 121.300 -0.076 0.000 2.311 400 W HA 0.597 5.257 4.660 -0.000 0.000 0.317 400 W C 0.647 177.117 176.519 -0.082 0.000 1.065 400 W CA -0.823 56.334 57.345 -0.312 0.000 1.364 400 W CB 0.692 29.614 29.460 -0.896 0.000 1.233 400 W HN 0.688 nan 8.180 nan 0.000 0.409 401 G N 2.917 111.929 108.800 0.354 0.000 3.355 401 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 401 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 401 G C -0.448 174.581 174.900 0.214 0.000 1.097 401 G CA -0.723 44.624 45.100 0.411 0.000 0.881 401 G HN 0.499 nan 8.290 nan 0.000 0.550 402 L N 1.380 122.720 121.223 0.196 0.000 2.713 402 L HA 0.232 4.572 4.340 -0.000 0.000 0.223 402 L C 2.010 178.953 176.870 0.121 0.000 1.040 402 L CA 0.565 55.475 54.840 0.117 0.000 0.894 402 L CB -0.285 41.820 42.059 0.077 0.000 1.361 402 L HN 0.843 nan 8.230 nan 0.000 0.490 403 S N 0.781 116.576 115.700 0.157 0.000 2.572 403 S HA -0.049 4.421 4.470 -0.000 0.000 0.267 403 S C 0.913 175.524 174.600 0.018 0.000 1.361 403 S CA -0.218 58.036 58.200 0.090 0.000 1.009 403 S CB 0.192 63.424 63.200 0.054 0.000 0.888 403 S HN 0.316 nan 8.310 nan 0.000 0.553 404 F N -0.125 119.804 119.950 -0.035 0.000 2.502 404 F HA 0.291 4.818 4.527 -0.000 0.000 0.298 404 F C 0.571 176.310 175.800 -0.102 0.000 1.111 404 F CA 0.205 58.175 58.000 -0.050 0.000 1.445 404 F CB -0.347 38.630 39.000 -0.039 0.000 1.081 404 F HN 0.783 nan 8.300 nan 0.000 0.558 405 K N -0.967 118.858 120.400 -0.957 0.000 2.578 405 K HA 0.554 4.873 4.320 -0.000 0.000 0.287 405 K C -3.426 172.617 176.600 -0.929 0.000 1.010 405 K CA -2.223 53.557 56.287 -0.846 0.000 0.889 405 K CB 1.246 33.156 32.500 -0.984 0.000 1.514 405 K HN -0.331 nan 8.250 nan 0.000 0.424 406 P HA 0.132 nan 4.420 nan 0.000 0.272 406 P C 0.166 176.715 177.300 -1.253 0.000 1.230 406 P CA 0.918 63.096 63.100 -1.537 0.000 0.788 406 P CB 0.613 31.692 31.700 -1.035 0.000 0.949 407 G N -0.992 106.845 108.800 -1.605 0.000 2.147 407 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 407 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 407 G C 0.171 174.947 174.900 -0.206 0.000 1.005 407 G CA 0.373 45.162 45.100 -0.520 0.000 0.713 407 G HN 0.860 nan 8.290 nan 0.000 0.515 408 T N -1.064 113.291 114.554 -0.331 0.000 2.853 408 T HA 0.503 4.853 4.350 -0.000 0.000 0.311 408 T C 0.371 174.992 174.700 -0.132 0.000 1.307 408 T CA 0.510 62.506 62.100 -0.173 0.000 1.019 408 T CB 1.277 70.032 68.868 -0.187 0.000 1.264 408 T HN 0.186 nan 8.240 nan 0.000 0.497 409 D N 0.813 121.156 120.400 -0.094 0.000 2.339 409 D HA 0.101 4.741 4.640 -0.000 0.000 0.217 409 D C 0.297 176.622 176.300 0.043 0.000 1.050 409 D CA -0.171 53.805 54.000 -0.040 0.000 0.856 409 D CB -0.047 40.730 40.800 -0.039 0.000 0.922 409 D HN 0.407 nan 8.370 nan 0.000 0.518 410 D N 0.623 121.078 120.400 0.092 0.000 2.417 410 D HA 0.070 4.710 4.640 -0.000 0.000 0.250 410 D C 0.397 176.863 176.300 0.275 0.000 1.166 410 D CA 0.121 54.240 54.000 0.198 0.000 0.881 410 D CB 0.872 41.860 40.800 0.314 0.000 1.164 410 D HN 0.013 nan 8.370 nan 0.000 0.467 411 M N 2.545 122.251 119.600 0.177 0.000 2.347 411 M HA 0.170 4.649 4.480 -0.000 0.000 0.302 411 M C 0.344 176.703 176.300 0.098 0.000 1.051 411 M CA -0.382 55.012 55.300 0.156 0.000 0.988 411 M CB 0.571 33.230 32.600 0.098 0.000 1.475 411 M HN 0.069 nan 8.290 nan 0.000 0.530 412 R N 2.283 122.810 120.500 0.045 0.000 2.502 412 R HA -0.027 4.313 4.340 -0.000 0.000 0.292 412 R C 0.250 176.511 176.300 -0.066 0.000 0.998 412 R CA 0.351 56.433 56.100 -0.030 0.000 1.056 412 R CB 0.067 30.325 30.300 -0.070 0.000 0.939 412 R HN 0.191 nan 8.270 nan 0.000 0.411 413 E N -0.815 119.371 120.200 -0.024 0.000 2.660 413 E HA -0.245 4.105 4.350 -0.000 0.000 0.260 413 E C -0.530 176.081 176.600 0.018 0.000 1.122 413 E CA 1.221 57.613 56.400 -0.013 0.000 0.755 413 E CB -1.435 28.251 29.700 -0.024 0.000 1.345 413 E HN 0.755 nan 8.360 nan 0.000 0.421 414 A N 0.521 123.376 122.820 0.058 0.000 2.488 414 A HA 0.310 4.629 4.320 -0.000 0.000 0.249 414 A C -0.952 176.666 177.584 0.056 0.000 1.083 414 A CA -0.702 51.401 52.037 0.111 0.000 0.768 414 A CB 0.336 19.414 19.000 0.130 0.000 1.017 414 A HN -0.143 nan 8.150 nan 0.000 0.496 415 P HA -0.210 nan 4.420 nan 0.000 0.218 415 P C 1.754 179.052 177.300 -0.003 0.000 1.146 415 P CA 1.949 65.060 63.100 0.017 0.000 0.813 415 P CB 0.049 31.763 31.700 0.024 0.000 0.778 416 S N -0.668 115.038 115.700 0.010 0.000 2.383 416 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 416 S C 1.910 176.487 174.600 -0.039 0.000 1.030 416 S CA 1.212 59.402 58.200 -0.017 0.000 1.002 416 S CB -1.688 61.523 63.200 0.017 0.000 0.829 416 S HN 0.108 nan 8.310 nan 0.000 0.467 417 L N 0.954 122.169 121.223 -0.014 0.000 2.141 417 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 417 L C 2.659 179.500 176.870 -0.048 0.000 1.094 417 L CA 0.776 55.602 54.840 -0.023 0.000 0.763 417 L CB -0.576 41.483 42.059 -0.001 0.000 0.908 417 L HN 0.256 nan 8.230 nan 0.000 0.437 418 V N -0.273 119.612 119.914 -0.048 0.000 2.379 418 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 418 V C 2.323 178.359 176.094 -0.097 0.000 1.044 418 V CA 1.427 63.690 62.300 -0.062 0.000 1.036 418 V CB -0.366 31.431 31.823 -0.043 0.000 0.664 418 V HN 0.319 nan 8.190 nan 0.000 0.453 419 L N 0.184 121.343 121.223 -0.106 0.000 2.017 419 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 419 L C 2.186 178.933 176.870 -0.204 0.000 1.073 419 L CA 1.966 56.705 54.840 -0.168 0.000 0.745 419 L CB -0.508 41.394 42.059 -0.262 0.000 0.894 419 L HN 0.210 nan 8.230 nan 0.000 0.432 420 I N -0.108 120.362 120.570 -0.168 0.000 2.226 420 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 420 I C 2.928 178.968 176.117 -0.128 0.000 1.100 420 I CA 1.458 62.672 61.300 -0.143 0.000 1.374 420 I CB -0.924 37.017 38.000 -0.099 0.000 1.057 420 I HN 0.484 nan 8.210 nan 0.000 0.413 421 E N 1.317 121.445 120.200 -0.119 0.000 2.058 421 E HA -0.335 4.015 4.350 -0.000 0.000 0.194 421 E C 2.079 178.577 176.600 -0.170 0.000 0.997 421 E CA 2.003 58.334 56.400 -0.115 0.000 0.801 421 E CB -0.569 29.074 29.700 -0.096 0.000 0.746 421 E HN 0.319 nan 8.360 nan 0.000 0.450 422 K N 0.190 120.433 120.400 -0.262 0.000 2.031 422 K HA 0.114 4.434 4.320 -0.000 0.000 0.205 422 K C 2.126 178.455 176.600 -0.452 0.000 1.049 422 K CA 1.275 57.276 56.287 -0.478 0.000 0.939 422 K CB -0.616 31.423 32.500 -0.769 0.000 0.717 422 K HN 0.418 nan 8.250 nan 0.000 0.438 423 L N 0.424 121.500 121.223 -0.246 0.000 2.079 423 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 423 L C 2.357 179.222 176.870 -0.008 0.000 1.081 423 L CA 1.192 56.032 54.840 -0.001 0.000 0.752 423 L CB -0.432 41.610 42.059 -0.029 0.000 0.896 423 L HN 0.159 nan 8.230 nan 0.000 0.433 424 L N -0.823 120.362 121.223 -0.063 0.000 2.056 424 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 424 L C 2.534 179.384 176.870 -0.034 0.000 1.078 424 L CA 1.147 55.963 54.840 -0.040 0.000 0.749 424 L CB -0.503 41.526 42.059 -0.049 0.000 0.901 424 L HN 0.274 nan 8.230 nan 0.000 0.433 425 E N -0.135 120.022 120.200 -0.071 0.000 2.130 425 E HA -0.217 4.132 4.350 -0.000 0.000 0.196 425 E C 1.809 178.397 176.600 -0.020 0.000 0.998 425 E CA 1.788 58.151 56.400 -0.061 0.000 0.806 425 E CB -0.025 29.610 29.700 -0.109 0.000 0.738 425 E HN 0.484 nan 8.360 nan 0.000 0.459 426 V N -3.104 116.816 119.914 0.010 0.000 3.514 426 V HA 0.404 4.524 4.120 -0.000 0.000 0.301 426 V C 0.947 177.097 176.094 0.094 0.000 1.346 426 V CA 0.355 62.706 62.300 0.084 0.000 1.156 426 V CB -0.093 31.852 31.823 0.203 0.000 1.029 426 V HN 0.244 nan 8.190 nan 0.000 0.428 427 G N -0.075 108.761 108.800 0.060 0.000 2.225 427 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 427 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 427 G C 0.132 175.073 174.900 0.069 0.000 1.060 427 G CA 0.047 45.177 45.100 0.050 0.000 0.833 427 G HN 0.724 nan 8.290 nan 0.000 0.498 428 C N 0.019 119.376 119.300 0.094 0.000 2.604 428 C HA 0.584 5.044 4.460 -0.000 0.000 0.396 428 C C 1.276 176.292 174.990 0.042 0.000 1.282 428 C CA -0.652 58.425 59.018 0.098 0.000 2.292 428 C CB 0.950 28.779 27.740 0.148 0.000 2.633 428 C HN 0.574 nan 8.230 nan 0.000 0.620 429 R N 1.573 122.092 120.500 0.032 0.000 2.202 429 R HA 0.480 4.820 4.340 -0.000 0.000 0.334 429 R C -1.415 174.881 176.300 -0.006 0.000 1.036 429 R CA -0.068 56.036 56.100 0.007 0.000 0.878 429 R CB 0.718 31.022 30.300 0.008 0.000 1.067 429 R HN 0.632 nan 8.270 nan 0.000 0.457 430 V N 6.253 126.147 119.914 -0.033 0.000 2.357 430 V HA 0.410 4.530 4.120 -0.000 0.000 0.284 430 V C 0.137 176.187 176.094 -0.073 0.000 1.018 430 V CA -0.721 61.548 62.300 -0.052 0.000 0.841 430 V CB 1.531 33.308 31.823 -0.077 0.000 0.991 430 V HN 0.663 nan 8.190 nan 0.000 0.437 431 R N 3.415 123.892 120.500 -0.038 0.000 2.294 431 R HA 0.717 5.057 4.340 -0.000 0.000 0.319 431 R C -0.686 175.618 176.300 0.008 0.000 0.984 431 R CA -0.552 55.532 56.100 -0.026 0.000 0.861 431 R CB 2.022 32.332 30.300 0.017 0.000 1.104 431 R HN 0.658 nan 8.270 nan 0.000 0.451 432 V N 0.510 120.419 119.914 -0.009 0.000 2.628 432 V HA 0.600 4.720 4.120 -0.000 0.000 0.306 432 V C -1.275 174.946 176.094 0.212 0.000 1.045 432 V CA -0.951 61.392 62.300 0.072 0.000 0.905 432 V CB 1.639 33.455 31.823 -0.011 0.000 0.997 432 V HN 0.763 nan 8.190 nan 0.000 0.436 433 Y N 2.567 122.947 120.300 0.134 0.000 2.421 433 Y HA 0.741 5.291 4.550 -0.000 0.000 0.339 433 Y C -1.153 174.819 175.900 0.120 0.000 0.996 433 Y CA -0.728 57.441 58.100 0.115 0.000 1.046 433 Y CB 1.937 40.458 38.460 0.102 0.000 1.226 433 Y HN 0.993 nan 8.280 nan 0.000 0.445 434 D N 7.331 127.233 120.400 -0.830 0.000 2.879 434 D HA 0.322 4.962 4.640 -0.000 0.000 0.236 434 D C -2.415 173.071 176.300 -1.356 0.000 1.171 434 D CA -2.072 51.370 54.000 -0.931 0.000 0.868 434 D CB 3.456 44.031 40.800 -0.375 0.000 1.598 434 D HN 0.328 nan 8.370 nan 0.000 0.497 435 P HA 0.004 nan 4.420 nan 0.000 0.233 435 P C 1.009 177.848 177.300 -0.767 0.000 1.167 435 P CA 0.485 62.962 63.100 -1.038 0.000 0.770 435 P CB 0.926 32.008 31.700 -1.029 0.000 0.837 436 V N -1.210 118.203 119.914 -0.836 0.000 3.305 436 V HA 0.265 4.385 4.120 -0.000 0.000 0.247 436 V C 2.030 177.931 176.094 -0.322 0.000 1.426 436 V CA 0.910 62.884 62.300 -0.544 0.000 1.162 436 V CB -0.305 31.092 31.823 -0.710 0.000 0.961 436 V HN -0.017 nan 8.190 nan 0.000 0.449 437 A N -0.525 122.134 122.820 -0.268 0.000 2.275 437 A HA 0.206 4.526 4.320 -0.000 0.000 0.212 437 A C 1.899 179.433 177.584 -0.083 0.000 1.201 437 A CA 0.317 52.285 52.037 -0.116 0.000 0.843 437 A CB -0.354 18.636 19.000 -0.016 0.000 0.873 437 A HN 0.415 nan 8.150 nan 0.000 0.492 438 M N -0.036 119.493 119.600 -0.119 0.000 2.149 438 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 438 M C 2.673 178.901 176.300 -0.121 0.000 1.064 438 M CA 2.014 57.283 55.300 -0.052 0.000 1.102 438 M CB -0.418 32.165 32.600 -0.028 0.000 1.369 438 M HN 0.521 nan 8.290 nan 0.000 0.408 439 K N 0.481 120.805 120.400 -0.125 0.000 2.057 439 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 439 K C 1.613 178.157 176.600 -0.093 0.000 1.050 439 K CA 1.987 58.195 56.287 -0.133 0.000 0.935 439 K CB -1.033 31.411 32.500 -0.093 0.000 0.715 439 K HN 0.397 nan 8.250 nan 0.000 0.439 440 E N 0.476 120.646 120.200 -0.050 0.000 2.077 440 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 440 E C 2.135 178.741 176.600 0.009 0.000 0.989 440 E CA 1.624 58.015 56.400 -0.014 0.000 0.800 440 E CB -0.403 29.300 29.700 0.005 0.000 0.746 440 E HN 0.485 nan 8.360 nan 0.000 0.452 441 A N 0.482 123.321 122.820 0.030 0.000 1.877 441 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 441 A C 2.270 179.926 177.584 0.120 0.000 1.186 441 A CA 1.973 54.076 52.037 0.109 0.000 0.620 441 A CB -0.883 18.240 19.000 0.204 0.000 0.822 441 A HN 0.448 nan 8.150 nan 0.000 0.443 442 Q N 0.094 119.864 119.800 -0.050 0.000 2.135 442 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 442 Q C 2.053 178.025 176.000 -0.046 0.000 0.981 442 Q CA 2.232 57.922 55.803 -0.188 0.000 0.856 442 Q CB -0.242 28.159 28.738 -0.562 0.000 0.902 442 Q HN 0.685 nan 8.270 nan 0.000 0.425 443 K N -0.245 120.130 120.400 -0.042 0.000 2.147 443 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 443 K C 1.854 178.464 176.600 0.016 0.000 1.049 443 K CA 1.344 57.623 56.287 -0.013 0.000 0.936 443 K CB 0.065 32.556 32.500 -0.015 0.000 0.722 443 K HN 0.187 nan 8.250 nan 0.000 0.446 444 R N -0.429 120.093 120.500 0.036 0.000 2.156 444 R HA 0.158 4.498 4.340 -0.000 0.000 0.207 444 R C 1.853 178.186 176.300 0.056 0.000 1.040 444 R CA 0.614 56.740 56.100 0.043 0.000 1.013 444 R CB 0.252 30.580 30.300 0.046 0.000 0.931 444 R HN 0.181 nan 8.270 nan 0.000 0.465 445 L N -1.171 120.109 121.223 0.094 0.000 2.749 445 L HA 0.319 4.658 4.340 -0.000 0.000 0.242 445 L C 1.274 178.218 176.870 0.123 0.000 1.103 445 L CA 0.137 55.039 54.840 0.103 0.000 0.906 445 L CB 0.327 42.461 42.059 0.124 0.000 1.228 445 L HN 0.308 nan 8.230 nan 0.000 0.517 446 G N 2.400 111.284 108.800 0.140 0.000 2.651 446 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.315 446 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.315 446 G C 0.433 175.459 174.900 0.210 0.000 1.258 446 G CA 0.831 46.008 45.100 0.128 0.000 1.002 446 G HN 0.564 nan 8.290 nan 0.000 0.551 447 D N 0.596 121.074 120.400 0.130 0.000 2.319 447 D HA 0.182 4.822 4.640 -0.000 0.000 0.230 447 D C 1.671 178.006 176.300 0.059 0.000 1.094 447 D CA 0.861 54.932 54.000 0.118 0.000 0.856 447 D CB 0.124 40.969 40.800 0.075 0.000 0.915 447 D HN 0.613 nan 8.370 nan 0.000 0.517 448 K N -0.251 120.173 120.400 0.040 0.000 2.305 448 K HA 0.084 4.404 4.320 -0.000 0.000 0.199 448 K C 0.670 177.229 176.600 -0.068 0.000 1.047 448 K CA 0.573 56.855 56.287 -0.009 0.000 0.976 448 K CB 0.556 33.054 32.500 -0.003 0.000 0.765 448 K HN 0.262 nan 8.250 nan 0.000 0.474 449 V N -1.580 118.240 119.914 -0.157 0.000 3.001 449 V HA 0.373 4.492 4.120 -0.000 0.000 0.314 449 V C -1.128 174.697 176.094 -0.448 0.000 1.099 449 V CA -1.216 60.909 62.300 -0.291 0.000 0.989 449 V CB 2.033 33.648 31.823 -0.346 0.000 1.040 449 V HN -0.022 nan 8.190 nan 0.000 0.434 450 E N 1.673 121.671 120.200 -0.336 0.000 2.167 450 E HA 0.400 4.750 4.350 -0.000 0.000 0.284 450 E C -1.668 174.745 176.600 -0.311 0.000 1.016 450 E CA -0.310 55.942 56.400 -0.247 0.000 0.817 450 E CB 1.167 30.819 29.700 -0.079 0.000 1.080 450 E HN 0.717 nan 8.360 nan 0.000 0.397 451 Y N 1.783 122.110 120.300 0.046 0.000 2.365 451 Y HA 0.146 4.696 4.550 -0.000 0.000 0.340 451 Y C 1.101 177.046 175.900 0.075 0.000 1.016 451 Y CA -0.589 57.547 58.100 0.059 0.000 1.196 451 Y CB 0.813 39.295 38.460 0.037 0.000 1.167 451 Y HN 0.370 nan 8.280 nan 0.000 0.509 452 T N -2.787 111.902 114.554 0.225 0.000 2.950 452 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 452 T C 1.079 175.898 174.700 0.199 0.000 1.035 452 T CA -0.227 61.976 62.100 0.172 0.000 1.028 452 T CB 1.595 70.543 68.868 0.133 0.000 1.109 452 T HN 0.657 nan 8.240 nan 0.000 0.514 453 T N -1.723 112.886 114.554 0.090 0.000 3.014 453 T HA 0.207 4.557 4.350 -0.000 0.000 0.263 453 T C 0.214 174.871 174.700 -0.071 0.000 1.078 453 T CA 0.929 63.062 62.100 0.055 0.000 1.135 453 T CB -0.730 68.150 68.868 0.019 0.000 0.895 453 T HN 0.962 nan 8.240 nan 0.000 0.480 454 D N -0.669 119.521 120.400 -0.349 0.000 2.692 454 D HA 0.322 4.962 4.640 -0.000 0.000 0.303 454 D C 1.337 177.013 176.300 -1.039 0.000 1.278 454 D CA -0.716 52.752 54.000 -0.886 0.000 0.852 454 D CB 0.589 41.166 40.800 -0.370 0.000 1.375 454 D HN 0.080 nan 8.370 nan 0.000 0.453 455 M N -1.027 117.901 119.600 -1.119 0.000 2.080 455 M HA -0.113 4.367 4.480 -0.000 0.000 0.260 455 M C 0.960 177.108 176.300 -0.253 0.000 1.068 455 M CA 1.354 56.182 55.300 -0.787 0.000 1.109 455 M CB -0.822 31.071 32.600 -1.178 0.000 1.342 455 M HN 0.447 nan 8.290 nan 0.000 0.405 456 Y N 1.144 121.383 120.300 -0.101 0.000 2.314 456 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 456 Y C 2.290 178.201 175.900 0.019 0.000 1.129 456 Y CA 1.643 59.758 58.100 0.025 0.000 1.201 456 Y CB -0.716 37.728 38.460 -0.027 0.000 0.999 456 Y HN 0.387 nan 8.280 nan 0.000 0.541 457 D N 0.112 120.565 120.400 0.088 0.000 2.144 457 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 457 D C 2.214 178.559 176.300 0.076 0.000 0.984 457 D CA 1.243 55.277 54.000 0.057 0.000 0.834 457 D CB -0.167 40.638 40.800 0.008 0.000 0.955 457 D HN 0.233 nan 8.370 nan 0.000 0.465 458 A N 0.089 122.967 122.820 0.098 0.000 1.933 458 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 458 A C 2.399 180.055 177.584 0.119 0.000 1.175 458 A CA 2.041 54.172 52.037 0.157 0.000 0.628 458 A CB -0.895 18.292 19.000 0.311 0.000 0.814 458 A HN 0.368 nan 8.150 nan 0.000 0.444 459 V N -2.573 117.416 119.914 0.126 0.000 3.306 459 V HA 0.131 4.251 4.120 -0.000 0.000 0.264 459 V C 0.816 176.942 176.094 0.053 0.000 1.149 459 V CA 0.033 62.364 62.300 0.052 0.000 1.143 459 V CB -0.938 30.905 31.823 0.034 0.000 0.767 459 V HN 0.406 nan 8.190 nan 0.000 0.476 460 R N 1.753 122.295 120.500 0.069 0.000 2.483 460 R HA 0.334 4.674 4.340 -0.000 0.000 0.329 460 R C 1.402 177.723 176.300 0.035 0.000 0.961 460 R CA 0.912 57.044 56.100 0.054 0.000 1.041 460 R CB -0.250 30.082 30.300 0.053 0.000 0.930 460 R HN 0.799 nan 8.270 nan 0.000 0.413 461 G N 1.534 110.350 108.800 0.027 0.000 2.157 461 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 461 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 461 G C 0.174 175.082 174.900 0.014 0.000 0.979 461 G CA -0.012 45.098 45.100 0.018 0.000 0.650 461 G HN 0.818 nan 8.290 nan 0.000 0.529 462 A N -0.212 122.614 122.820 0.011 0.000 2.340 462 A HA 0.728 5.048 4.320 -0.000 0.000 0.268 462 A C 0.837 178.427 177.584 0.011 0.000 1.100 462 A CA 0.457 52.495 52.037 0.003 0.000 0.803 462 A CB 0.455 19.441 19.000 -0.022 0.000 1.043 462 A HN 0.420 nan 8.150 nan 0.000 0.488 463 E N 0.148 120.370 120.200 0.037 0.000 2.498 463 E HA 0.417 4.767 4.350 -0.000 0.000 0.203 463 E C -0.141 176.567 176.600 0.180 0.000 1.013 463 E CA 0.511 56.973 56.400 0.103 0.000 0.927 463 E CB 0.619 30.365 29.700 0.077 0.000 1.012 463 E HN 0.744 nan 8.360 nan 0.000 0.482 464 A N 1.387 124.222 122.820 0.024 0.000 2.547 464 A HA 0.456 4.776 4.320 -0.000 0.000 0.298 464 A C -1.984 175.409 177.584 -0.318 0.000 1.062 464 A CA -0.769 51.166 52.037 -0.170 0.000 0.748 464 A CB 1.089 19.938 19.000 -0.251 0.000 1.288 464 A HN 0.092 nan 8.150 nan 0.000 0.396 465 L N 2.217 123.192 121.223 -0.413 0.000 2.313 465 L HA 0.884 5.224 4.340 -0.000 0.000 0.283 465 L C -1.686 174.875 176.870 -0.515 0.000 1.013 465 L CA -0.561 54.003 54.840 -0.460 0.000 0.816 465 L CB 0.543 42.244 42.059 -0.598 0.000 1.236 465 L HN 0.493 nan 8.230 nan 0.000 0.419 466 F N 4.360 124.165 119.950 -0.241 0.000 2.404 466 F HA 0.347 4.874 4.527 -0.000 0.000 0.354 466 F C 0.360 176.120 175.800 -0.066 0.000 1.122 466 F CA -0.370 57.559 58.000 -0.119 0.000 1.080 466 F CB 0.827 39.769 39.000 -0.096 0.000 1.131 466 F HN 0.502 nan 8.300 nan 0.000 0.471 467 H N 4.346 123.459 119.070 0.073 0.000 2.690 467 H HA 0.344 4.899 4.556 -0.000 0.000 0.289 467 H C -0.241 175.172 175.328 0.142 0.000 1.089 467 H CA -0.235 55.883 56.048 0.116 0.000 1.299 467 H CB 1.300 31.175 29.762 0.189 0.000 1.405 467 H HN 0.606 nan 8.280 nan 0.000 0.463 468 V N 3.932 123.778 119.914 -0.113 0.000 3.212 468 V HA 0.063 4.183 4.120 -0.000 0.000 0.244 468 V C 0.488 176.483 176.094 -0.166 0.000 1.151 468 V CA 0.839 63.093 62.300 -0.077 0.000 1.119 468 V CB 0.804 32.639 31.823 0.020 0.000 0.838 468 V HN 0.698 nan 8.190 nan 0.000 0.470 469 T N 1.683 116.134 114.554 -0.172 0.000 2.937 469 T HA 0.237 4.587 4.350 -0.000 0.000 0.297 469 T C -0.072 174.616 174.700 -0.020 0.000 0.991 469 T CA -0.397 61.643 62.100 -0.099 0.000 0.990 469 T CB 1.576 70.468 68.868 0.040 0.000 0.991 469 T HN 0.387 nan 8.240 nan 0.000 0.440 470 E N 2.742 122.852 120.200 -0.149 0.000 2.594 470 E HA -0.006 4.344 4.350 -0.000 0.000 0.300 470 E C -0.723 175.922 176.600 0.076 0.000 1.568 470 E CA -0.611 55.839 56.400 0.083 0.000 1.811 470 E CB -0.270 29.435 29.700 0.007 0.000 1.458 470 E HN 0.595 nan 8.360 nan 0.000 0.470 471 W N 1.662 122.976 121.300 0.024 0.000 2.231 471 W HA 0.036 4.696 4.660 -0.000 0.000 0.341 471 W C 1.618 177.990 176.519 -0.245 0.000 1.298 471 W CA -0.136 57.059 57.345 -0.250 0.000 1.266 471 W CB 0.630 29.718 29.460 -0.621 0.000 1.172 471 W HN 0.168 nan 8.180 nan 0.000 0.568 472 K N 1.444 121.874 120.400 0.051 0.000 2.103 472 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 472 K C 1.869 178.447 176.600 -0.037 0.000 1.048 472 K CA 1.973 58.266 56.287 0.010 0.000 0.930 472 K CB -0.088 32.418 32.500 0.011 0.000 0.716 472 K HN 0.669 nan 8.250 nan 0.000 0.444 473 E N 0.229 120.329 120.200 -0.168 0.000 2.338 473 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 473 E C 1.074 177.577 176.600 -0.162 0.000 1.007 473 E CA 0.856 57.133 56.400 -0.205 0.000 0.849 473 E CB -0.161 29.364 29.700 -0.292 0.000 0.774 473 E HN 0.200 nan 8.360 nan 0.000 0.506 474 F N 1.168 121.077 119.950 -0.069 0.000 2.780 474 F HA 0.187 4.714 4.527 -0.000 0.000 0.299 474 F C 2.071 177.907 175.800 0.060 0.000 1.146 474 F CA -0.045 57.877 58.000 -0.131 0.000 1.428 474 F CB -0.121 38.944 39.000 0.109 0.000 1.115 474 F HN -0.049 nan 8.300 nan 0.000 0.583 475 R N 0.069 120.699 120.500 0.217 0.000 2.115 475 R HA 0.041 4.381 4.340 -0.000 0.000 0.226 475 R C 0.771 177.219 176.300 0.247 0.000 1.100 475 R CA 0.904 57.138 56.100 0.223 0.000 0.980 475 R CB -0.393 29.980 30.300 0.122 0.000 0.875 475 R HN 0.269 nan 8.270 nan 0.000 0.445 476 M N 1.876 121.560 119.600 0.140 0.000 2.746 476 M HA 0.256 4.736 4.480 -0.000 0.000 0.209 476 M C -2.248 174.057 176.300 0.008 0.000 1.077 476 M CA -1.504 53.863 55.300 0.112 0.000 0.695 476 M CB 1.732 34.389 32.600 0.094 0.000 1.416 476 M HN -0.211 nan 8.290 nan 0.000 0.459 477 P HA 0.104 nan 4.420 nan 0.000 0.274 477 P C -0.800 176.262 177.300 -0.396 0.000 1.231 477 P CA -0.095 62.796 63.100 -0.347 0.000 0.790 477 P CB 0.838 32.109 31.700 -0.715 0.000 0.951 478 D N 1.151 121.511 120.400 -0.066 0.000 2.374 478 D HA 0.045 4.685 4.640 -0.000 0.000 0.240 478 D C 0.490 176.755 176.300 -0.057 0.000 1.229 478 D CA -0.233 53.760 54.000 -0.012 0.000 0.895 478 D CB -0.009 40.800 40.800 0.014 0.000 1.046 478 D HN 0.274 nan 8.370 nan 0.000 0.498 479 W N 2.200 123.529 121.300 0.047 0.000 2.402 479 W HA -0.141 4.519 4.660 -0.000 0.000 0.286 479 W C 2.501 179.125 176.519 0.176 0.000 1.221 479 W CA 0.342 57.698 57.345 0.018 0.000 1.257 479 W CB -0.333 29.078 29.460 -0.082 0.000 1.120 479 W HN 0.348 nan 8.180 nan 0.000 0.551 480 S N 0.873 116.755 115.700 0.303 0.000 2.343 480 S HA -0.233 4.236 4.470 -0.000 0.000 0.219 480 S C 2.088 176.788 174.600 0.166 0.000 1.033 480 S CA 1.518 59.842 58.200 0.206 0.000 1.014 480 S CB -1.310 61.965 63.200 0.124 0.000 0.915 480 S HN 0.268 nan 8.310 nan 0.000 0.435 481 A N 1.692 124.577 122.820 0.109 0.000 1.948 481 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 481 A C 2.208 179.898 177.584 0.176 0.000 1.177 481 A CA 1.336 53.408 52.037 0.059 0.000 0.636 481 A CB -0.874 18.046 19.000 -0.132 0.000 0.815 481 A HN 0.449 nan 8.150 nan 0.000 0.449 482 L N -0.458 120.924 121.223 0.265 0.000 2.005 482 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 482 L C 3.053 180.101 176.870 0.297 0.000 1.072 482 L CA 1.741 56.756 54.840 0.293 0.000 0.744 482 L CB -0.606 41.586 42.059 0.221 0.000 0.895 482 L HN 0.601 nan 8.230 nan 0.000 0.433 483 S N 0.216 116.133 115.700 0.361 0.000 2.382 483 S HA -0.273 4.197 4.470 -0.000 0.000 0.228 483 S C 1.918 176.552 174.600 0.057 0.000 1.027 483 S CA 1.546 59.832 58.200 0.143 0.000 0.991 483 S CB -0.298 62.981 63.200 0.132 0.000 0.823 483 S HN 0.643 nan 8.310 nan 0.000 0.469 484 Q N -0.202 119.650 119.800 0.087 0.000 2.432 484 Q HA 0.356 4.696 4.340 -0.000 0.000 0.205 484 Q C 1.814 177.841 176.000 0.046 0.000 0.945 484 Q CA 0.847 56.679 55.803 0.049 0.000 0.924 484 Q CB -0.243 28.522 28.738 0.044 0.000 1.016 484 Q HN 0.613 nan 8.270 nan 0.000 0.503 485 A N 0.480 123.343 122.820 0.071 0.000 2.063 485 A HA 0.310 4.629 4.320 -0.000 0.000 0.211 485 A C 0.941 178.556 177.584 0.051 0.000 1.177 485 A CA -0.131 51.947 52.037 0.067 0.000 0.759 485 A CB 0.134 19.196 19.000 0.104 0.000 0.857 485 A HN 0.328 nan 8.150 nan 0.000 0.468 486 M N -0.690 118.938 119.600 0.047 0.000 2.288 486 M HA 0.397 4.877 4.480 -0.000 0.000 0.334 486 M C 1.356 177.653 176.300 -0.005 0.000 1.150 486 M CA -0.063 55.249 55.300 0.019 0.000 1.118 486 M CB 1.449 34.056 32.600 0.011 0.000 1.501 486 M HN 0.230 nan 8.290 nan 0.000 0.462 487 A N 1.945 124.764 122.820 -0.002 0.000 2.014 487 A HA 0.374 4.694 4.320 -0.000 0.000 0.218 487 A C 0.775 178.354 177.584 -0.008 0.000 1.163 487 A CA 1.404 53.441 52.037 -0.002 0.000 0.652 487 A CB -0.127 18.878 19.000 0.008 0.000 0.808 487 A HN 0.823 nan 8.150 nan 0.000 0.449 488 A N -1.259 121.549 122.820 -0.020 0.000 2.520 488 A HA 0.585 4.905 4.320 -0.000 0.000 0.298 488 A C -0.299 177.188 177.584 -0.161 0.000 1.051 488 A CA -0.267 51.749 52.037 -0.036 0.000 0.690 488 A CB 0.833 19.898 19.000 0.108 0.000 1.281 488 A HN 0.168 nan 8.150 nan 0.000 0.402 489 S N 1.340 116.832 115.700 -0.347 0.000 3.940 489 S HA 0.380 4.850 4.470 -0.000 0.000 0.210 489 S C -0.490 173.812 174.600 -0.498 0.000 1.419 489 S CA -0.061 57.622 58.200 -0.863 0.000 0.912 489 S CB -0.914 61.417 63.200 -1.449 0.000 1.489 489 S HN 0.627 nan 8.310 nan 0.000 0.469 490 L N 3.147 124.275 121.223 -0.158 0.000 2.341 490 L HA 0.780 5.120 4.340 -0.000 0.000 0.278 490 L C -0.777 176.091 176.870 -0.003 0.000 1.005 490 L CA -0.586 54.182 54.840 -0.119 0.000 0.818 490 L CB 1.820 43.700 42.059 -0.299 0.000 1.259 490 L HN 0.210 nan 8.230 nan 0.000 0.418 491 V N 6.799 126.714 119.914 0.002 0.000 2.638 491 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 491 V C -0.938 175.078 176.094 -0.129 0.000 1.052 491 V CA -0.366 61.883 62.300 -0.085 0.000 0.885 491 V CB 1.920 33.729 31.823 -0.023 0.000 0.999 491 V HN 0.689 nan 8.190 nan 0.000 0.424 492 I N 5.852 126.301 120.570 -0.201 0.000 2.420 492 I HA 0.417 4.587 4.170 -0.000 0.000 0.282 492 I C -1.029 175.116 176.117 0.047 0.000 1.019 492 I CA -0.400 60.824 61.300 -0.126 0.000 1.130 492 I CB 1.599 39.420 38.000 -0.298 0.000 1.262 492 I HN 0.558 nan 8.210 nan 0.000 0.454 493 D N 4.925 125.396 120.400 0.118 0.000 2.359 493 D HA 0.284 4.923 4.640 -0.000 0.000 0.230 493 D C 0.990 177.384 176.300 0.157 0.000 1.118 493 D CA -0.268 53.855 54.000 0.205 0.000 0.844 493 D CB 1.872 42.805 40.800 0.222 0.000 1.059 493 D HN 0.661 nan 8.370 nan 0.000 0.493 494 G N 3.362 112.251 108.800 0.148 0.000 2.985 494 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 494 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 494 G C 1.045 175.971 174.900 0.044 0.000 1.165 494 G CA -0.105 45.049 45.100 0.090 0.000 0.776 494 G HN 0.325 nan 8.290 nan 0.000 0.541 495 R N -0.031 120.502 120.500 0.055 0.000 2.549 495 R HA 0.119 4.459 4.340 -0.000 0.000 0.344 495 R C 0.175 176.483 176.300 0.013 0.000 0.979 495 R CA -0.480 55.624 56.100 0.007 0.000 1.140 495 R CB -0.147 30.110 30.300 -0.071 0.000 1.377 495 R HN 0.144 nan 8.270 nan 0.000 0.541 496 N N 0.503 119.226 118.700 0.039 0.000 2.725 496 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 496 N C 0.659 176.151 175.510 -0.030 0.000 1.031 496 N CA 0.781 53.847 53.050 0.026 0.000 0.720 496 N CB -1.554 36.969 38.487 0.060 0.000 0.930 496 N HN 0.044 nan 8.380 nan 0.000 0.543 497 V N -1.526 118.300 119.914 -0.146 0.000 3.125 497 V HA 0.047 4.166 4.120 -0.000 0.000 0.249 497 V C 0.432 176.434 176.094 -0.153 0.000 1.113 497 V CA 0.832 62.993 62.300 -0.232 0.000 1.106 497 V CB -0.107 31.476 31.823 -0.400 0.000 0.768 497 V HN 0.249 nan 8.190 nan 0.000 0.468 498 Y N 1.034 121.376 120.300 0.069 0.000 2.323 498 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 498 Y C 0.367 176.274 175.900 0.013 0.000 1.092 498 Y CA -1.703 56.444 58.100 0.079 0.000 1.150 498 Y CB 0.550 39.091 38.460 0.134 0.000 1.200 498 Y HN 0.200 nan 8.280 nan 0.000 0.472 499 E N 3.095 123.396 120.200 0.168 0.000 2.234 499 E HA 0.429 4.778 4.350 -0.000 0.000 0.266 499 E C -0.799 175.706 176.600 -0.159 0.000 0.877 499 E CA -0.671 55.732 56.400 0.005 0.000 0.758 499 E CB 2.198 31.908 29.700 0.017 0.000 1.170 499 E HN 0.505 nan 8.360 nan 0.000 0.415 507 T N 3.589 118.181 114.554 0.063 0.000 2.771 507 T HA 0.621 4.971 4.350 -0.000 0.000 0.281 507 T C -1.349 173.343 174.700 -0.015 0.000 0.982 507 T CA -0.389 61.702 62.100 -0.016 0.000 0.978 507 T CB 1.254 70.060 68.868 -0.105 0.000 0.930 507 T HN 0.422 nan 8.240 nan 0.000 0.447 508 L N 5.190 126.391 121.223 -0.037 0.000 2.305 508 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 508 L C -1.338 175.506 176.870 -0.044 0.000 1.013 508 L CA -0.517 54.301 54.840 -0.037 0.000 0.819 508 L CB 0.645 42.678 42.059 -0.044 0.000 1.227 508 L HN 0.575 nan 8.230 nan 0.000 0.417 509 L N 5.945 127.135 121.223 -0.056 0.000 2.325 509 L HA 0.644 4.984 4.340 -0.000 0.000 0.278 509 L C -0.168 176.713 176.870 0.019 0.000 1.023 509 L CA -0.531 54.290 54.840 -0.031 0.000 0.811 509 L CB 1.587 43.607 42.059 -0.065 0.000 1.249 509 L HN 0.871 nan 8.230 nan 0.000 0.431 510 N N 1.833 120.555 118.700 0.036 0.000 3.316 510 N HA 0.463 5.203 4.740 -0.000 0.000 0.300 510 N C -1.284 174.260 175.510 0.057 0.000 1.567 510 N CA -0.998 52.088 53.050 0.059 0.000 0.821 510 N CB 1.720 40.248 38.487 0.068 0.000 1.748 510 N HN 0.235 nan 8.380 nan 0.000 0.603 511 I N 1.314 121.922 120.570 0.063 0.000 2.281 511 I HA 0.345 4.514 4.170 -0.000 0.000 0.293 511 I C 1.203 177.351 176.117 0.051 0.000 1.085 511 I CA 0.563 61.899 61.300 0.059 0.000 1.257 511 I CB -0.683 37.357 38.000 0.066 0.000 1.430 511 I HN 0.964 nan 8.210 nan 0.000 0.489 512 G N 0.000 108.824 108.800 0.040 0.000 5.446 512 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 512 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 512 G CA 0.000 45.119 45.100 0.032 0.000 0.502 512 G HN 0.000 nan 8.290 nan 0.000 0.925