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 2gbi_1_B DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.352 176.300 0.086 0.000 0.893 38 R CA 0.000 56.150 56.100 0.084 0.000 0.921 38 R CB 0.000 30.345 30.300 0.074 0.000 0.687 39 R N 0.297 120.853 120.500 0.093 0.000 2.410 39 R HA 0.895 5.235 4.340 0.000 0.000 0.288 39 R C 0.810 177.178 176.300 0.115 0.000 1.051 39 R CA 0.535 56.701 56.100 0.110 0.000 1.021 39 R CB 0.010 30.392 30.300 0.137 0.000 1.032 39 R HN 1.304 nan 8.270 nan 0.000 0.481 40 T N -0.519 114.108 114.554 0.122 0.000 2.810 40 T HA 0.483 4.833 4.350 0.000 0.000 0.277 40 T C -0.264 174.568 174.700 0.220 0.000 0.973 40 T CA -0.270 61.907 62.100 0.129 0.000 0.949 40 T CB 0.337 69.263 68.868 0.097 0.000 1.075 40 T HN 0.730 nan 8.240 nan 0.000 0.537 41 Y N 1.930 122.284 120.300 0.090 0.000 2.595 41 Y HA 0.502 5.052 4.550 0.000 0.000 0.347 41 Y C 1.022 177.088 175.900 0.276 0.000 1.025 41 Y CA -0.781 57.421 58.100 0.171 0.000 1.295 41 Y CB -0.564 37.954 38.460 0.097 0.000 1.147 41 Y HN 0.949 nan 8.280 nan 0.000 0.515 42 T N 3.096 117.691 114.554 0.068 0.000 2.855 42 T HA 0.331 4.681 4.350 0.000 0.000 0.314 42 T C 1.599 176.281 174.700 -0.030 0.000 1.077 42 T CA 0.253 62.421 62.100 0.114 0.000 1.095 42 T CB 0.280 69.182 68.868 0.057 0.000 0.987 42 T HN 0.956 nan 8.240 nan 0.000 0.546 43 L N 0.955 122.090 121.223 -0.148 0.000 2.141 43 L HA 0.355 4.695 4.340 0.000 0.000 0.209 43 L C 3.188 179.938 176.870 -0.200 0.000 1.094 43 L CA 2.602 57.119 54.840 -0.538 0.000 0.763 43 L CB -2.022 39.455 42.059 -0.970 0.000 0.908 43 L HN 1.137 nan 8.230 nan 0.000 0.437 44 A N -0.609 122.123 122.820 -0.147 0.000 1.877 44 A HA -0.253 4.067 4.320 0.000 0.000 0.216 44 A C 2.153 179.664 177.584 -0.121 0.000 1.186 44 A CA 1.467 53.440 52.037 -0.107 0.000 0.620 44 A CB -0.837 18.121 19.000 -0.069 0.000 0.822 44 A HN 0.630 nan 8.150 nan 0.000 0.443 45 D N -1.464 118.835 120.400 -0.169 0.000 2.133 45 D HA -0.218 4.422 4.640 0.000 0.000 0.192 45 D C 1.676 177.916 176.300 -0.099 0.000 1.001 45 D CA 1.986 55.869 54.000 -0.195 0.000 0.844 45 D CB -0.435 40.161 40.800 -0.341 0.000 0.944 45 D HN 0.624 nan 8.370 nan 0.000 0.447 46 Y N 1.388 121.515 120.300 -0.288 0.000 2.109 46 Y HA -0.120 4.430 4.550 0.000 0.000 0.285 46 Y C 2.345 178.235 175.900 -0.017 0.000 1.131 46 Y CA 1.242 59.316 58.100 -0.044 0.000 1.121 46 Y CB -0.682 37.765 38.460 -0.021 0.000 0.987 46 Y HN -0.105 nan 8.280 nan 0.000 0.495 47 L N 0.129 121.199 121.223 -0.255 0.000 2.046 47 L HA -0.216 4.124 4.340 0.000 0.000 0.208 47 L C 2.028 178.783 176.870 -0.192 0.000 1.077 47 L CA 1.515 56.161 54.840 -0.323 0.000 0.747 47 L CB -0.495 41.456 42.059 -0.180 0.000 0.896 47 L HN 0.108 nan 8.230 nan 0.000 0.432 48 K N 0.034 120.355 120.400 -0.130 0.000 2.404 48 K HA 0.024 4.344 4.320 0.000 0.000 0.194 48 K C 0.150 176.701 176.600 -0.082 0.000 1.023 48 K CA -0.112 56.120 56.287 -0.091 0.000 1.094 48 K CB -0.521 31.930 32.500 -0.082 0.000 0.841 48 K HN 0.190 nan 8.250 nan 0.000 0.523 49 N N 1.373 120.026 118.700 -0.079 0.000 2.642 49 N HA -0.178 4.562 4.740 0.000 0.000 0.269 49 N C 0.159 175.654 175.510 -0.025 0.000 1.073 49 N CA 0.860 53.904 53.050 -0.011 0.000 0.748 49 N CB -0.981 37.496 38.487 -0.016 0.000 0.894 49 N HN 0.074 nan 8.380 nan 0.000 0.548 50 T N 0.336 114.836 114.554 -0.090 0.000 2.809 50 T HA 0.016 4.366 4.350 0.000 0.000 0.260 50 T C 0.449 174.961 174.700 -0.314 0.000 1.039 50 T CA 1.024 62.952 62.100 -0.287 0.000 1.141 50 T CB -0.129 68.410 68.868 -0.548 0.000 0.869 50 T HN 0.387 nan 8.240 nan 0.000 0.437 51 F N 2.576 122.633 119.950 0.179 0.000 2.377 51 F HA 0.378 4.905 4.527 0.000 0.000 0.360 51 F C 0.769 176.669 175.800 0.167 0.000 1.147 51 F CA -0.928 57.182 58.000 0.183 0.000 1.170 51 F CB 0.164 39.310 39.000 0.243 0.000 1.339 51 F HN -0.196 nan 8.300 nan 0.000 0.552 52 R N 2.312 122.951 120.500 0.233 0.000 2.442 52 R HA 0.393 4.733 4.340 0.000 0.000 0.291 52 R C -0.981 175.445 176.300 0.210 0.000 1.069 52 R CA -0.263 55.948 56.100 0.184 0.000 1.022 52 R CB 0.838 31.209 30.300 0.119 0.000 0.976 52 R HN 0.409 nan 8.270 nan 0.000 0.443 53 V N 5.932 125.973 119.914 0.210 0.000 2.350 53 V HA 0.222 4.342 4.120 0.000 0.000 0.276 53 V C 0.238 176.446 176.094 0.190 0.000 1.028 53 V CA -0.481 61.954 62.300 0.225 0.000 0.860 53 V CB 1.337 33.330 31.823 0.282 0.000 0.990 53 V HN 0.767 nan 8.190 nan 0.000 0.453 54 K N 2.619 123.129 120.400 0.182 0.000 2.127 54 K HA 0.759 5.079 4.320 0.000 0.000 0.240 54 K C 0.132 176.860 176.600 0.213 0.000 1.024 54 K CA -0.306 56.082 56.287 0.168 0.000 0.918 54 K CB 1.461 34.051 32.500 0.151 0.000 1.108 54 K HN 0.873 nan 8.250 nan 0.000 0.485 55 S N -0.559 115.189 115.700 0.080 0.000 2.643 55 S HA 0.326 4.796 4.470 0.000 0.000 0.270 55 S C -1.889 172.512 174.600 -0.331 0.000 1.166 55 S CA -0.908 57.125 58.200 -0.279 0.000 0.815 55 S CB 0.736 63.817 63.200 -0.199 0.000 1.139 55 S HN 0.562 nan 8.310 nan 0.000 0.472 56 Y N 1.208 120.924 120.300 -0.974 0.000 2.526 56 Y HA 0.598 5.148 4.550 0.000 0.000 0.328 56 Y C -0.663 175.014 175.900 -0.372 0.000 0.995 56 Y CA -0.456 57.353 58.100 -0.486 0.000 1.304 56 Y CB 1.513 39.667 38.460 -0.510 0.000 1.096 56 Y HN 0.772 nan 8.280 nan 0.000 0.499 57 S N 6.701 122.259 115.700 -0.236 0.000 2.404 57 S HA 0.486 4.956 4.470 0.000 0.000 0.309 57 S C -0.716 173.747 174.600 -0.230 0.000 1.076 57 S CA -0.649 57.439 58.200 -0.187 0.000 1.095 57 S CB -0.231 62.911 63.200 -0.097 0.000 0.972 57 S HN 0.524 nan 8.310 nan 0.000 0.484 58 L N 1.579 122.598 121.223 -0.340 0.000 2.335 58 L HA 0.752 5.092 4.340 0.000 0.000 0.268 58 L C -0.008 176.703 176.870 -0.264 0.000 1.016 58 L CA -1.038 53.558 54.840 -0.408 0.000 0.805 58 L CB 0.083 41.575 42.059 -0.945 0.000 1.311 58 L HN 0.364 nan 8.230 nan 0.000 0.456 59 R N 0.013 120.415 120.500 -0.162 0.000 2.467 59 R HA 0.310 4.650 4.340 0.000 0.000 0.299 59 R C -1.649 174.698 176.300 0.077 0.000 1.120 59 R CA -0.241 55.846 56.100 -0.022 0.000 0.940 59 R CB 0.936 31.269 30.300 0.054 0.000 1.161 59 R HN 0.660 nan 8.270 nan 0.000 0.506 60 W N 2.687 124.056 121.300 0.115 0.000 2.347 60 W HA -0.019 4.641 4.660 0.000 0.000 0.333 60 W C 1.096 177.676 176.519 0.102 0.000 1.383 60 W CA -0.376 57.052 57.345 0.139 0.000 1.283 60 W CB 0.651 30.180 29.460 0.114 0.000 1.253 60 W HN 0.372 nan 8.180 nan 0.000 0.563 61 V N 2.551 122.694 119.914 0.381 0.000 3.263 61 V HA -0.005 4.115 4.120 0.000 0.000 0.248 61 V C 0.845 177.035 176.094 0.159 0.000 1.145 61 V CA 1.230 63.643 62.300 0.187 0.000 1.107 61 V CB -0.017 31.845 31.823 0.066 0.000 0.797 61 V HN 0.591 nan 8.190 nan 0.000 0.467 62 S N -1.475 114.345 115.700 0.199 0.000 2.880 62 S HA 0.321 4.791 4.470 0.000 0.000 0.308 62 S C 0.151 174.790 174.600 0.064 0.000 1.195 62 S CA 0.055 58.322 58.200 0.112 0.000 0.866 62 S CB 1.413 64.664 63.200 0.084 0.000 1.254 62 S HN 0.037 nan 8.310 nan 0.000 0.571 63 D N 0.352 120.761 120.400 0.015 0.000 2.363 63 D HA 0.168 4.808 4.640 0.000 0.000 0.226 63 D C 1.075 177.366 176.300 -0.016 0.000 1.020 63 D CA 1.142 55.110 54.000 -0.054 0.000 0.892 63 D CB -0.021 40.777 40.800 -0.004 0.000 0.900 63 D HN 0.533 nan 8.370 nan 0.000 0.531 64 S N -2.128 113.595 115.700 0.038 0.000 2.904 64 S HA 0.293 4.763 4.470 0.000 0.000 0.260 64 S C 0.219 174.862 174.600 0.072 0.000 1.000 64 S CA -0.735 57.471 58.200 0.010 0.000 1.274 64 S CB 0.700 63.944 63.200 0.072 0.000 1.196 64 S HN 0.048 nan 8.310 nan 0.000 0.678 65 E N 0.537 120.880 120.200 0.238 0.000 2.383 65 E HA 0.650 5.000 4.350 0.000 0.000 0.275 65 E C -1.699 175.151 176.600 0.415 0.000 0.918 65 E CA -1.026 55.495 56.400 0.202 0.000 0.764 65 E CB 2.222 31.957 29.700 0.059 0.000 1.252 65 E HN 0.421 nan 8.360 nan 0.000 0.449 66 Y N -0.741 119.668 120.300 0.183 0.000 2.644 66 Y HA 0.680 5.230 4.550 0.000 0.000 0.338 66 Y C -1.779 174.141 175.900 0.033 0.000 1.119 66 Y CA -1.322 56.798 58.100 0.034 0.000 1.060 66 Y CB 0.841 39.048 38.460 -0.421 0.000 1.294 66 Y HN 0.362 nan 8.280 nan 0.000 0.472 67 L N 2.292 123.692 121.223 0.295 0.000 2.331 67 L HA 0.554 4.894 4.340 0.000 0.000 0.275 67 L C -1.438 175.639 176.870 0.344 0.000 1.022 67 L CA -1.031 53.955 54.840 0.244 0.000 0.812 67 L CB 1.881 44.018 42.059 0.131 0.000 1.257 67 L HN 0.783 nan 8.230 nan 0.000 0.435 68 Y N 2.215 122.618 120.300 0.171 0.000 2.479 68 Y HA 0.303 4.853 4.550 0.000 0.000 0.338 68 Y C -0.749 175.174 175.900 0.038 0.000 1.055 68 Y CA -1.266 56.823 58.100 -0.019 0.000 1.023 68 Y CB 1.657 39.959 38.460 -0.262 0.000 1.287 68 Y HN 0.437 nan 8.280 nan 0.000 0.447 69 K N 5.157 125.115 120.400 -0.738 0.000 2.285 69 K HA 0.278 4.598 4.320 0.000 0.000 0.286 69 K C -1.039 175.063 176.600 -0.830 0.000 1.072 69 K CA -0.297 55.641 56.287 -0.582 0.000 0.913 69 K CB 0.580 32.869 32.500 -0.351 0.000 1.067 69 K HN 0.829 nan 8.250 nan 0.000 0.479 70 Q N 4.430 124.004 119.800 -0.376 0.000 2.320 70 Q HA 0.097 4.437 4.340 0.000 0.000 0.268 70 Q C -1.184 174.755 176.000 -0.101 0.000 1.023 70 Q CA -0.273 55.439 55.803 -0.152 0.000 0.744 70 Q CB 1.024 29.851 28.738 0.149 0.000 1.246 70 Q HN 0.751 nan 8.270 nan 0.000 0.462 71 E N 3.376 123.524 120.200 -0.087 0.000 2.252 71 E HA -0.360 3.990 4.350 0.000 0.000 0.218 71 E C -0.653 175.873 176.600 -0.122 0.000 1.253 71 E CA 0.456 56.814 56.400 -0.071 0.000 0.705 71 E CB -1.250 28.430 29.700 -0.033 0.000 1.172 71 E HN 0.887 nan 8.360 nan 0.000 0.369 72 N N 0.323 118.920 118.700 -0.172 0.000 2.721 72 N HA -0.172 4.568 4.740 0.000 0.000 0.249 72 N C -1.059 174.213 175.510 -0.397 0.000 1.072 72 N CA 1.080 53.971 53.050 -0.265 0.000 0.710 72 N CB -0.705 37.685 38.487 -0.161 0.000 0.993 72 N HN 0.453 nan 8.380 nan 0.000 0.547 73 N N 0.701 119.196 118.700 -0.342 0.000 2.371 73 N HA 0.295 5.035 4.740 0.000 0.000 0.291 73 N C -0.360 174.985 175.510 -0.277 0.000 1.053 73 N CA -0.536 52.326 53.050 -0.314 0.000 0.870 73 N CB 1.420 39.805 38.487 -0.169 0.000 1.503 73 N HN -0.033 nan 8.380 nan 0.000 0.485 74 I N 3.250 123.643 120.570 -0.295 0.000 2.352 74 I HA 0.337 4.507 4.170 0.000 0.000 0.290 74 I C 0.466 176.609 176.117 0.043 0.000 1.036 74 I CA -0.207 61.005 61.300 -0.146 0.000 1.336 74 I CB 0.066 37.967 38.000 -0.164 0.000 1.407 74 I HN 0.290 nan 8.210 nan 0.000 0.497 75 L N 6.153 127.452 121.223 0.126 0.000 2.334 75 L HA 0.532 4.872 4.340 0.000 0.000 0.270 75 L C -0.502 176.449 176.870 0.135 0.000 1.018 75 L CA -1.051 53.858 54.840 0.116 0.000 0.811 75 L CB 2.121 44.254 42.059 0.123 0.000 1.271 75 L HN 0.326 nan 8.230 nan 0.000 0.443 76 L N 1.873 123.044 121.223 -0.086 0.000 2.298 76 L HA 0.551 4.891 4.340 0.000 0.000 0.284 76 L C -1.147 175.536 176.870 -0.312 0.000 1.013 76 L CA 0.151 54.921 54.840 -0.117 0.000 0.824 76 L CB 0.624 42.613 42.059 -0.117 0.000 1.221 76 L HN 0.163 nan 8.230 nan 0.000 0.418 77 F N 3.313 122.973 119.950 -0.484 0.000 2.458 77 F HA 0.446 4.973 4.527 0.000 0.000 0.330 77 F C 0.686 176.169 175.800 -0.529 0.000 1.082 77 F CA -0.648 56.996 58.000 -0.593 0.000 0.995 77 F CB 1.144 39.550 39.000 -0.990 0.000 1.170 77 F HN 0.499 nan 8.300 nan 0.000 0.478 78 N N 2.059 120.682 118.700 -0.129 0.000 2.462 78 N HA 0.363 5.103 4.740 0.000 0.000 0.242 78 N C -0.927 174.536 175.510 -0.079 0.000 1.010 78 N CA -0.203 52.800 53.050 -0.078 0.000 0.939 78 N CB 1.264 39.746 38.487 -0.009 0.000 1.127 78 N HN 0.737 nan 8.380 nan 0.000 0.509 79 A N 3.190 125.929 122.820 -0.134 0.000 2.491 79 A HA 0.303 4.623 4.320 0.000 0.000 0.261 79 A C 0.851 178.172 177.584 -0.439 0.000 1.101 79 A CA 0.201 52.088 52.037 -0.250 0.000 0.772 79 A CB 0.016 18.745 19.000 -0.452 0.000 1.043 79 A HN 0.930 nan 8.150 nan 0.000 0.501 80 E N 0.738 120.830 120.200 -0.179 0.000 3.083 80 E HA -0.104 4.247 4.350 0.000 0.000 0.142 80 E C -0.346 176.023 176.600 -0.384 0.000 0.646 80 E CA 0.907 57.175 56.400 -0.220 0.000 2.888 80 E CB -0.706 28.809 29.700 -0.307 0.000 2.063 80 E HN 0.826 nan 8.360 nan 0.000 0.772 81 H N -1.061 118.029 119.070 0.034 0.000 2.731 81 H HA 0.588 5.144 4.556 0.000 0.000 0.368 81 H C 0.987 176.332 175.328 0.029 0.000 1.168 81 H CA -0.154 55.910 56.048 0.027 0.000 1.181 81 H CB 1.526 31.297 29.762 0.014 0.000 1.743 81 H HN 0.275 nan 8.280 nan 0.000 0.547 82 G N 0.892 109.786 108.800 0.157 0.000 2.586 82 G HA2 -0.239 3.721 3.960 0.000 0.000 0.215 82 G HA3 -0.239 3.721 3.960 0.000 0.000 0.215 82 G C 0.696 175.640 174.900 0.072 0.000 1.128 82 G CA -0.000 45.175 45.100 0.126 0.000 0.774 82 G HN 0.679 nan 8.290 nan 0.000 0.543 83 N N 0.782 119.518 118.700 0.059 0.000 1.923 83 N HA -0.035 4.705 4.740 0.000 0.000 0.305 83 N C 0.873 176.300 175.510 -0.139 0.000 1.339 83 N CA 0.665 53.703 53.050 -0.021 0.000 0.825 83 N CB 0.345 38.846 38.487 0.023 0.000 1.095 83 N HN 0.383 nan 8.380 nan 0.000 0.498 84 S N 1.871 117.429 115.700 -0.236 0.000 2.694 84 S HA 0.812 5.282 4.470 0.000 0.000 0.286 84 S C -0.235 174.168 174.600 -0.329 0.000 1.080 84 S CA -0.386 57.513 58.200 -0.502 0.000 0.953 84 S CB 1.763 64.572 63.200 -0.652 0.000 1.313 84 S HN 0.671 nan 8.310 nan 0.000 0.555 85 S N -1.119 114.374 115.700 -0.345 0.000 2.785 85 S HA 0.229 4.699 4.470 0.000 0.000 0.286 85 S C -1.806 172.720 174.600 -0.124 0.000 0.918 85 S CA -0.851 57.245 58.200 -0.174 0.000 0.866 85 S CB -0.327 62.808 63.200 -0.110 0.000 1.087 85 S HN 0.736 nan 8.310 nan 0.000 0.472 86 I N 4.857 125.390 120.570 -0.061 0.000 2.416 86 I HA 0.304 4.474 4.170 0.000 0.000 0.288 86 I C 0.610 176.764 176.117 0.061 0.000 1.051 86 I CA -0.142 61.145 61.300 -0.022 0.000 1.375 86 I CB 0.802 38.774 38.000 -0.048 0.000 1.407 86 I HN 0.750 nan 8.210 nan 0.000 0.516 87 F N 7.135 127.036 119.950 -0.082 0.000 2.500 87 F HA 0.401 4.928 4.527 0.000 0.000 0.285 87 F C 0.284 176.052 175.800 -0.054 0.000 1.088 87 F CA 0.378 58.349 58.000 -0.049 0.000 1.432 87 F CB 0.561 39.549 39.000 -0.020 0.000 1.131 87 F HN 0.168 nan 8.300 nan 0.000 0.582 88 L N 1.113 122.296 121.223 -0.066 0.000 2.493 88 L HA 0.294 4.634 4.340 0.000 0.000 0.265 88 L C -0.748 175.986 176.870 -0.228 0.000 0.954 88 L CA -0.717 54.005 54.840 -0.196 0.000 0.844 88 L CB 2.341 44.268 42.059 -0.220 0.000 1.302 88 L HN -0.112 nan 8.230 nan 0.000 0.405 89 E N 1.761 121.836 120.200 -0.208 0.000 2.345 89 E HA 0.106 4.456 4.350 0.000 0.000 0.259 89 E C 0.242 176.704 176.600 -0.229 0.000 1.117 89 E CA -0.533 55.754 56.400 -0.187 0.000 0.913 89 E CB 1.020 30.645 29.700 -0.124 0.000 1.057 89 E HN 0.496 nan 8.360 nan 0.000 0.432 90 N N 0.988 119.580 118.700 -0.179 0.000 2.133 90 N HA -0.201 4.539 4.740 0.000 0.000 0.193 90 N C 1.524 176.963 175.510 -0.119 0.000 1.012 90 N CA 1.233 54.189 53.050 -0.157 0.000 0.871 90 N CB -0.083 38.346 38.487 -0.097 0.000 1.011 90 N HN 0.331 nan 8.380 nan 0.000 0.435 91 S N -0.401 115.238 115.700 -0.101 0.000 2.350 91 S HA -0.127 4.343 4.470 0.000 0.000 0.193 91 S C 1.596 176.168 174.600 -0.048 0.000 1.322 91 S CA 2.495 60.654 58.200 -0.068 0.000 2.111 91 S CB -0.881 62.278 63.200 -0.069 0.000 0.690 91 S HN 0.470 nan 8.310 nan 0.000 0.359 92 T N 1.512 116.013 114.554 -0.088 0.000 2.982 92 T HA -0.280 4.070 4.350 0.000 0.000 0.224 92 T C 1.319 176.033 174.700 0.024 0.000 1.215 92 T CA 2.477 64.505 62.100 -0.118 0.000 1.098 92 T CB -1.285 67.420 68.868 -0.272 0.000 0.804 92 T HN 0.446 nan 8.240 nan 0.000 0.523 93 F N 1.949 121.788 119.950 -0.186 0.000 2.134 93 F HA -0.042 4.485 4.527 0.000 0.000 0.299 93 F C 2.443 178.173 175.800 -0.117 0.000 1.097 93 F CA 1.347 59.263 58.000 -0.141 0.000 1.264 93 F CB -0.546 38.380 39.000 -0.124 0.000 1.001 93 F HN 0.359 nan 8.300 nan 0.000 0.479 94 E N 0.849 121.096 120.200 0.078 0.000 2.512 94 E HA -0.116 4.234 4.350 0.000 0.000 0.195 94 E C 1.894 178.469 176.600 -0.041 0.000 1.083 94 E CA 0.534 56.937 56.400 0.006 0.000 0.873 94 E CB -0.730 28.971 29.700 0.003 0.000 0.897 94 E HN 0.442 nan 8.360 nan 0.000 0.514 95 I N 0.454 120.987 120.570 -0.063 0.000 2.193 95 I HA -0.187 3.983 4.170 0.000 0.000 0.240 95 I C 2.571 178.612 176.117 -0.127 0.000 1.084 95 I CA 1.658 62.908 61.300 -0.084 0.000 1.365 95 I CB -0.545 37.403 38.000 -0.087 0.000 1.064 95 I HN 0.178 nan 8.210 nan 0.000 0.410 96 F N 1.743 121.581 119.950 -0.187 0.000 2.725 96 F HA 0.499 5.026 4.527 0.000 0.000 0.303 96 F C 1.670 177.364 175.800 -0.176 0.000 1.167 96 F CA 0.199 58.034 58.000 -0.275 0.000 1.403 96 F CB -1.504 37.219 39.000 -0.462 0.000 1.077 96 F HN 0.308 nan 8.300 nan 0.000 0.537 97 G N 1.088 109.822 108.800 -0.110 0.000 2.634 97 G HA2 -0.448 3.512 3.960 0.000 0.000 0.318 97 G HA3 -0.448 3.512 3.960 0.000 0.000 0.318 97 G C 0.789 175.662 174.900 -0.046 0.000 1.207 97 G CA 0.638 45.700 45.100 -0.064 0.000 0.987 97 G HN 0.939 nan 8.290 nan 0.000 0.547 98 D N 0.690 121.069 120.400 -0.036 0.000 2.349 98 D HA 0.144 4.784 4.640 0.000 0.000 0.214 98 D C 1.922 178.207 176.300 -0.026 0.000 1.063 98 D CA 1.250 55.238 54.000 -0.021 0.000 0.847 98 D CB -0.082 40.711 40.800 -0.012 0.000 0.933 98 D HN 0.773 nan 8.370 nan 0.000 0.513 99 S N -0.014 115.664 115.700 -0.037 0.000 2.557 99 S HA 0.166 4.636 4.470 0.000 0.000 0.223 99 S C 0.882 175.471 174.600 -0.018 0.000 0.969 99 S CA -0.581 57.613 58.200 -0.011 0.000 0.927 99 S CB -0.087 63.132 63.200 0.031 0.000 0.806 99 S HN 0.052 nan 8.310 nan 0.000 0.489 100 I N 3.707 124.221 120.570 -0.093 0.000 2.460 100 I HA 0.100 4.270 4.170 0.000 0.000 0.297 100 I C 1.652 177.689 176.117 -0.133 0.000 1.139 100 I CA 0.145 61.339 61.300 -0.178 0.000 1.340 100 I CB -0.040 37.693 38.000 -0.445 0.000 1.444 100 I HN 0.372 nan 8.210 nan 0.000 0.557 101 S N 4.578 120.227 115.700 -0.086 0.000 2.355 101 S HA -0.091 4.379 4.470 0.000 0.000 0.222 101 S C 0.619 175.181 174.600 -0.063 0.000 1.031 101 S CA 1.230 59.368 58.200 -0.104 0.000 0.993 101 S CB 0.254 63.389 63.200 -0.110 0.000 0.859 101 S HN 0.795 nan 8.310 nan 0.000 0.453 102 D N -2.255 118.137 120.400 -0.013 0.000 2.692 102 D HA 0.445 5.085 4.640 0.000 0.000 0.290 102 D C -1.615 174.797 176.300 0.187 0.000 1.281 102 D CA -0.642 53.420 54.000 0.103 0.000 0.804 102 D CB 1.058 41.907 40.800 0.082 0.000 1.331 102 D HN 0.326 nan 8.370 nan 0.000 0.432 103 Y N -1.200 119.182 120.300 0.136 0.000 2.553 103 Y HA 0.779 5.329 4.550 0.000 0.000 0.347 103 Y C -1.295 174.764 175.900 0.265 0.000 1.019 103 Y CA -0.968 57.255 58.100 0.206 0.000 1.032 103 Y CB 2.020 40.664 38.460 0.308 0.000 1.284 103 Y HN 0.201 nan 8.280 nan 0.000 0.466 104 S N 2.318 118.198 115.700 0.299 0.000 2.736 104 S HA 0.595 5.065 4.470 0.000 0.000 0.285 104 S C -1.850 173.074 174.600 0.540 0.000 1.163 104 S CA -0.584 57.785 58.200 0.282 0.000 1.025 104 S CB 0.903 64.287 63.200 0.305 0.000 1.030 104 S HN 0.710 nan 8.310 nan 0.000 0.486 105 V N 5.375 125.520 119.914 0.385 0.000 2.432 105 V HA 0.424 4.544 4.120 0.000 0.000 0.275 105 V C 0.856 176.885 176.094 -0.110 0.000 1.043 105 V CA -0.535 61.944 62.300 0.299 0.000 0.925 105 V CB 1.164 33.190 31.823 0.338 0.000 0.985 105 V HN 1.024 nan 8.190 nan 0.000 0.466 106 S N 7.147 122.454 115.700 -0.656 0.000 2.569 106 S HA 0.127 4.597 4.470 0.000 0.000 0.274 106 S C -1.235 173.079 174.600 -0.477 0.000 1.353 106 S CA -0.522 56.833 58.200 -1.409 0.000 1.023 106 S CB 0.478 62.714 63.200 -1.606 0.000 0.876 106 S HN 0.666 nan 8.310 nan 0.000 0.540 107 P HA -0.036 nan 4.420 nan 0.000 0.226 107 P C 0.395 177.657 177.300 -0.063 0.000 1.153 107 P CA 0.932 63.961 63.100 -0.118 0.000 0.777 107 P CB -0.174 31.486 31.700 -0.068 0.000 0.794 108 D N -0.274 120.089 120.400 -0.062 0.000 2.339 108 D HA 0.023 4.663 4.640 0.000 0.000 0.217 108 D C 0.288 176.595 176.300 0.011 0.000 1.050 108 D CA -0.301 53.704 54.000 0.009 0.000 0.856 108 D CB -0.234 40.617 40.800 0.086 0.000 0.922 108 D HN 0.098 nan 8.370 nan 0.000 0.518 109 R N 0.252 120.756 120.500 0.007 0.000 3.641 109 R HA -0.172 4.168 4.340 0.000 0.000 0.286 109 R C 0.772 177.106 176.300 0.056 0.000 1.153 109 R CA 0.255 56.434 56.100 0.132 0.000 0.775 109 R CB -2.288 28.131 30.300 0.198 0.000 1.215 109 R HN 0.343 nan 8.270 nan 0.000 0.474 110 L N -1.065 120.096 121.223 -0.104 0.000 2.556 110 L HA 0.285 4.625 4.340 0.000 0.000 0.226 110 L C 0.288 176.682 176.870 -0.794 0.000 1.089 110 L CA 0.576 55.146 54.840 -0.449 0.000 0.864 110 L CB 0.238 41.961 42.059 -0.560 0.000 1.067 110 L HN 0.005 nan 8.230 nan 0.000 0.477 111 F N -1.634 118.261 119.950 -0.093 0.000 2.643 111 F HA 0.591 5.118 4.527 0.000 0.000 0.314 111 F C -0.463 175.430 175.800 0.155 0.000 1.096 111 F CA -1.095 56.914 58.000 0.016 0.000 0.953 111 F CB 1.726 40.768 39.000 0.070 0.000 1.345 111 F HN -0.551 nan 8.300 nan 0.000 0.468 112 V N 2.428 122.677 119.914 0.557 0.000 2.709 112 V HA 0.406 4.526 4.120 0.000 0.000 0.308 112 V C -0.672 175.783 176.094 0.603 0.000 1.062 112 V CA -0.800 61.849 62.300 0.582 0.000 0.901 112 V CB 2.255 34.382 31.823 0.508 0.000 1.003 112 V HN 0.588 nan 8.190 nan 0.000 0.425 113 L N 5.040 126.633 121.223 0.617 0.000 2.290 113 L HA 0.506 4.846 4.340 0.000 0.000 0.284 113 L C -0.779 176.314 176.870 0.371 0.000 1.078 113 L CA -0.317 54.781 54.840 0.429 0.000 0.815 113 L CB 1.014 43.251 42.059 0.296 0.000 1.162 113 L HN 0.475 nan 8.230 nan 0.000 0.435 114 L N 4.742 126.147 121.223 0.303 0.000 2.294 114 L HA 0.408 4.748 4.340 0.000 0.000 0.283 114 L C -0.045 176.917 176.870 0.154 0.000 1.015 114 L CA -0.364 54.585 54.840 0.181 0.000 0.831 114 L CB 1.599 43.712 42.059 0.090 0.000 1.217 114 L HN 0.590 nan 8.230 nan 0.000 0.420 115 E N 4.298 124.504 120.200 0.011 0.000 2.249 115 E HA 0.461 4.811 4.350 0.000 0.000 0.280 115 E C -1.598 174.918 176.600 -0.139 0.000 1.016 115 E CA -0.433 55.754 56.400 -0.356 0.000 0.830 115 E CB 1.068 30.654 29.700 -0.189 0.000 1.081 115 E HN 0.445 nan 8.360 nan 0.000 0.395 116 Y N 1.266 121.354 120.300 -0.354 0.000 2.624 116 Y HA 0.394 4.944 4.550 0.000 0.000 0.334 116 Y C -0.652 175.160 175.900 -0.146 0.000 1.155 116 Y CA -1.426 56.556 58.100 -0.198 0.000 1.046 116 Y CB 0.735 39.092 38.460 -0.172 0.000 1.316 116 Y HN 0.603 nan 8.280 nan 0.000 0.457 117 N N -0.144 118.583 118.700 0.045 0.000 2.815 117 N HA -0.273 4.467 4.740 0.000 0.000 0.248 117 N C -1.233 174.270 175.510 -0.013 0.000 1.110 117 N CA 0.776 53.825 53.050 -0.002 0.000 0.699 117 N CB -1.764 36.673 38.487 -0.084 0.000 1.040 117 N HN 0.873 nan 8.380 nan 0.000 0.555 118 Y N 0.057 120.292 120.300 -0.108 0.000 2.610 118 Y HA 0.344 4.894 4.550 0.000 0.000 0.332 118 Y C 0.134 176.000 175.900 -0.056 0.000 1.201 118 Y CA 0.103 58.142 58.100 -0.101 0.000 1.465 118 Y CB 0.686 39.031 38.460 -0.192 0.000 1.283 118 Y HN -0.021 nan 8.280 nan 0.000 0.563 119 V N 7.548 127.245 119.914 -0.361 0.000 2.532 119 V HA 0.188 4.308 4.120 0.000 0.000 0.294 119 V C -0.309 175.540 176.094 -0.408 0.000 1.036 119 V CA -1.460 60.704 62.300 -0.226 0.000 0.876 119 V CB 1.387 33.133 31.823 -0.129 0.000 1.012 119 V HN 0.799 nan 8.190 nan 0.000 0.432 120 K N 3.433 123.684 120.400 -0.249 0.000 2.286 120 K HA 0.331 4.651 4.320 0.000 0.000 0.256 120 K C -0.212 176.267 176.600 -0.202 0.000 0.999 120 K CA -0.031 56.161 56.287 -0.157 0.000 0.908 120 K CB 0.556 33.105 32.500 0.083 0.000 0.981 120 K HN 0.769 nan 8.250 nan 0.000 0.500 121 Q N 3.095 122.758 119.800 -0.228 0.000 3.087 121 Q HA 0.078 4.418 4.340 0.000 0.000 0.202 121 Q C -1.928 173.811 176.000 -0.435 0.000 0.763 121 Q CA -0.288 55.170 55.803 -0.576 0.000 1.023 121 Q CB 0.140 28.405 28.738 -0.788 0.000 1.570 121 Q HN 0.873 nan 8.270 nan 0.000 0.494 122 W N 0.912 122.239 121.300 0.045 0.000 3.096 122 W HA -0.296 4.364 4.660 0.000 0.000 0.320 122 W C 1.066 177.553 176.519 -0.054 0.000 0.079 122 W CA -0.348 57.017 57.345 0.034 0.000 0.459 122 W CB -0.729 28.691 29.460 -0.066 0.000 2.824 122 W HN 0.615 nan 8.180 nan 0.000 0.417 123 R N -0.432 120.144 120.500 0.127 0.000 2.080 123 R HA -0.189 4.151 4.340 0.000 0.000 0.236 123 R C 1.667 177.764 176.300 -0.338 0.000 1.137 123 R CA 2.583 58.560 56.100 -0.204 0.000 0.943 123 R CB -0.348 29.677 30.300 -0.458 0.000 0.846 123 R HN 0.514 nan 8.270 nan 0.000 0.431 124 H N -1.903 117.223 119.070 0.094 0.000 2.788 124 H HA 0.276 4.832 4.556 0.000 0.000 0.262 124 H C 0.423 175.822 175.328 0.119 0.000 0.968 124 H CA -0.091 56.038 56.048 0.134 0.000 1.218 124 H CB 0.542 30.359 29.762 0.090 0.000 1.443 124 H HN -0.000 nan 8.280 nan 0.000 0.478 125 S N 1.241 116.898 115.700 -0.071 0.000 2.580 125 S HA 0.251 4.721 4.470 0.000 0.000 0.266 125 S C -0.654 173.850 174.600 -0.159 0.000 1.354 125 S CA 0.103 57.948 58.200 -0.591 0.000 1.008 125 S CB 0.228 62.696 63.200 -1.220 0.000 0.898 125 S HN 0.524 nan 8.310 nan 0.000 0.555 126 Y N -2.659 117.499 120.300 -0.236 0.000 2.823 126 Y HA 0.451 5.001 4.550 0.000 0.000 0.377 126 Y C -1.129 174.694 175.900 -0.127 0.000 1.158 126 Y CA -1.162 56.755 58.100 -0.306 0.000 1.269 126 Y CB 0.127 38.252 38.460 -0.559 0.000 1.444 126 Y HN 0.718 nan 8.280 nan 0.000 0.497 127 T N 0.619 115.179 114.554 0.009 0.000 2.841 127 T HA 1.009 5.359 4.350 0.000 0.000 0.283 127 T C -0.428 174.307 174.700 0.058 0.000 1.000 127 T CA 0.066 62.183 62.100 0.030 0.000 0.977 127 T CB 1.638 70.493 68.868 -0.022 0.000 0.979 127 T HN 1.716 nan 8.240 nan 0.000 0.446 128 A N 2.227 125.093 122.820 0.077 0.000 2.475 128 A HA 0.957 5.277 4.320 0.000 0.000 0.281 128 A C -0.349 177.049 177.584 -0.310 0.000 1.263 128 A CA -0.977 50.973 52.037 -0.145 0.000 0.776 128 A CB 1.367 20.224 19.000 -0.237 0.000 1.347 128 A HN 0.863 nan 8.150 nan 0.000 0.443 129 S N -1.288 113.964 115.700 -0.747 0.000 2.566 129 S HA 0.800 5.270 4.470 0.000 0.000 0.298 129 S C -1.719 172.222 174.600 -1.098 0.000 1.083 129 S CA -0.141 57.566 58.200 -0.822 0.000 0.978 129 S CB 0.980 63.504 63.200 -1.126 0.000 1.073 129 S HN 0.456 nan 8.310 nan 0.000 0.491 130 Y N -0.022 120.006 120.300 -0.453 0.000 2.562 130 Y HA 0.629 5.179 4.550 0.000 0.000 0.345 130 Y C 0.044 175.966 175.900 0.036 0.000 1.045 130 Y CA -0.761 57.240 58.100 -0.165 0.000 1.028 130 Y CB 2.167 40.501 38.460 -0.210 0.000 1.297 130 Y HN 0.550 nan 8.280 nan 0.000 0.463 131 S N 2.671 118.555 115.700 0.306 0.000 2.547 131 S HA 0.634 5.104 4.470 0.000 0.000 0.281 131 S C -1.288 173.433 174.600 0.202 0.000 1.118 131 S CA -0.691 57.637 58.200 0.212 0.000 0.947 131 S CB 1.113 64.433 63.200 0.200 0.000 1.053 131 S HN 0.356 nan 8.310 nan 0.000 0.482 132 I N 3.014 123.679 120.570 0.157 0.000 2.353 132 I HA 0.306 4.476 4.170 0.000 0.000 0.293 132 I C -0.683 175.611 176.117 0.295 0.000 0.992 132 I CA -0.509 60.922 61.300 0.219 0.000 1.268 132 I CB 0.620 38.681 38.000 0.100 0.000 1.387 132 I HN 0.686 nan 8.210 nan 0.000 0.478 133 Y N 5.036 125.479 120.300 0.238 0.000 2.331 133 Y HA 0.274 4.824 4.550 0.000 0.000 0.338 133 Y C 0.088 176.103 175.900 0.191 0.000 0.976 133 Y CA -0.787 57.417 58.100 0.173 0.000 1.137 133 Y CB 0.905 39.444 38.460 0.132 0.000 1.172 133 Y HN 0.499 nan 8.280 nan 0.000 0.478 134 D N 6.781 126.928 120.400 -0.421 0.000 2.422 134 D HA 0.079 4.719 4.640 0.000 0.000 0.227 134 D C 1.030 176.908 176.300 -0.704 0.000 1.190 134 D CA 0.343 54.093 54.000 -0.417 0.000 0.905 134 D CB 0.593 41.275 40.800 -0.198 0.000 1.034 134 D HN 0.871 nan 8.370 nan 0.000 0.507 135 L N 3.404 124.308 121.223 -0.532 0.000 2.043 135 L HA -0.254 4.087 4.340 0.000 0.000 0.212 135 L C 2.075 178.743 176.870 -0.338 0.000 1.075 135 L CA 1.062 55.672 54.840 -0.383 0.000 0.752 135 L CB -0.366 41.504 42.059 -0.315 0.000 0.891 135 L HN 0.381 nan 8.230 nan 0.000 0.432 136 N N 0.550 119.036 118.700 -0.357 0.000 2.083 136 N HA -0.213 4.527 4.740 0.000 0.000 0.190 136 N C 1.727 177.114 175.510 -0.205 0.000 1.047 136 N CA 1.305 54.205 53.050 -0.250 0.000 0.845 136 N CB -0.054 38.285 38.487 -0.247 0.000 1.025 136 N HN -0.072 nan 8.380 nan 0.000 0.428 137 K N 0.956 121.231 120.400 -0.208 0.000 2.519 137 K HA 0.058 4.378 4.320 0.000 0.000 0.196 137 K C -0.338 176.164 176.600 -0.164 0.000 1.041 137 K CA 0.374 56.575 56.287 -0.143 0.000 0.954 137 K CB -0.084 32.367 32.500 -0.082 0.000 0.774 137 K HN 0.198 nan 8.250 nan 0.000 0.480 138 R N 0.484 120.830 120.500 -0.256 0.000 3.264 138 R HA -0.235 4.105 4.340 0.000 0.000 0.251 138 R C -0.998 175.196 176.300 -0.177 0.000 0.971 138 R CA 1.204 57.172 56.100 -0.219 0.000 0.658 138 R CB -1.846 28.411 30.300 -0.072 0.000 1.095 138 R HN 0.631 nan 8.270 nan 0.000 0.443 139 Q N -1.498 118.052 119.800 -0.416 0.000 2.874 139 Q HA 0.479 4.819 4.340 0.000 0.000 0.303 139 Q C -1.094 174.825 176.000 -0.135 0.000 0.876 139 Q CA -1.153 54.588 55.803 -0.103 0.000 0.765 139 Q CB 0.847 29.580 28.738 -0.008 0.000 1.478 139 Q HN 0.093 nan 8.270 nan 0.000 0.434 140 L N 1.733 123.044 121.223 0.147 0.000 2.319 140 L HA 0.409 4.749 4.340 0.000 0.000 0.280 140 L C -0.251 176.676 176.870 0.095 0.000 1.099 140 L CA -0.612 54.336 54.840 0.180 0.000 0.828 140 L CB 0.406 42.577 42.059 0.186 0.000 1.150 140 L HN 0.547 nan 8.230 nan 0.000 0.442 141 I N 2.847 123.465 120.570 0.079 0.000 2.598 141 I HA -0.057 4.113 4.170 0.000 0.000 0.284 141 I C 1.131 177.281 176.117 0.056 0.000 1.140 141 I CA 0.585 61.918 61.300 0.054 0.000 1.420 141 I CB 0.993 38.950 38.000 -0.072 0.000 1.387 141 I HN 0.638 nan 8.210 nan 0.000 0.553 142 T N 3.647 118.242 114.554 0.067 0.000 3.170 142 T HA 0.186 4.536 4.350 0.000 0.000 0.288 142 T C 0.863 175.585 174.700 0.035 0.000 0.992 142 T CA -0.060 62.067 62.100 0.044 0.000 0.909 142 T CB 0.090 68.983 68.868 0.041 0.000 1.133 142 T HN 0.618 nan 8.240 nan 0.000 0.530 143 E N 1.154 121.386 120.200 0.054 0.000 2.040 143 E HA 0.152 4.502 4.350 0.000 0.000 0.205 143 E C 0.341 176.948 176.600 0.011 0.000 0.936 143 E CA 0.389 56.815 56.400 0.044 0.000 0.900 143 E CB 0.131 29.882 29.700 0.085 0.000 0.889 143 E HN 0.256 nan 8.360 nan 0.000 0.503 144 E N 2.439 122.646 120.200 0.011 0.000 1.814 144 E HA 0.083 4.433 4.350 0.000 0.000 0.264 144 E C -0.712 175.857 176.600 -0.052 0.000 1.179 144 E CA 0.115 56.502 56.400 -0.021 0.000 0.972 144 E CB 0.202 29.899 29.700 -0.006 0.000 1.077 144 E HN 0.164 nan 8.360 nan 0.000 0.417 145 K N 1.373 121.729 120.400 -0.072 0.000 2.132 145 K HA 0.331 4.651 4.320 0.000 0.000 0.240 145 K C 0.811 177.298 176.600 -0.189 0.000 1.036 145 K CA -0.312 55.913 56.287 -0.102 0.000 0.888 145 K CB 0.852 33.301 32.500 -0.086 0.000 1.071 145 K HN 0.421 nan 8.250 nan 0.000 0.502 146 I N 0.750 121.165 120.570 -0.257 0.000 2.404 146 I HA 0.311 4.481 4.170 0.000 0.000 0.293 146 I C -2.237 173.562 176.117 -0.530 0.000 0.992 146 I CA -2.624 58.383 61.300 -0.488 0.000 1.149 146 I CB 1.667 39.287 38.000 -0.633 0.000 1.315 146 I HN 0.435 nan 8.210 nan 0.000 0.446 147 P HA -0.175 nan 4.420 nan 0.000 0.258 147 P C -0.384 176.654 177.300 -0.437 0.000 1.128 147 P CA 0.749 63.332 63.100 -0.860 0.000 0.760 147 P CB 0.040 30.638 31.700 -1.837 0.000 0.715 148 N N 3.049 121.609 118.700 -0.233 0.000 2.626 148 N HA -0.056 4.684 4.740 0.000 0.000 0.226 148 N C 0.434 175.939 175.510 -0.009 0.000 1.376 148 N CA -0.087 52.898 53.050 -0.108 0.000 0.894 148 N CB -0.233 38.220 38.487 -0.056 0.000 1.218 148 N HN 0.344 nan 8.380 nan 0.000 0.492 149 N N -0.060 118.685 118.700 0.075 0.000 2.425 149 N HA -0.026 4.714 4.740 0.000 0.000 0.237 149 N C -1.166 174.490 175.510 0.244 0.000 1.406 149 N CA -0.021 53.123 53.050 0.157 0.000 1.198 149 N CB 0.341 38.957 38.487 0.215 0.000 1.331 149 N HN -0.025 nan 8.380 nan 0.000 0.550 150 T N 0.886 115.545 114.554 0.174 0.000 2.946 150 T HA 0.008 4.358 4.350 0.000 0.000 0.311 150 T C 1.587 176.369 174.700 0.138 0.000 1.063 150 T CA 0.661 62.864 62.100 0.170 0.000 1.139 150 T CB 1.368 70.191 68.868 -0.074 0.000 0.994 150 T HN 0.187 nan 8.240 nan 0.000 0.547 151 Q N 1.142 121.019 119.800 0.128 0.000 2.302 151 Q HA 0.187 4.527 4.340 0.000 0.000 0.202 151 Q C 0.056 176.126 176.000 0.117 0.000 0.936 151 Q CA 0.405 56.269 55.803 0.103 0.000 0.886 151 Q CB 0.648 29.405 28.738 0.030 0.000 0.986 151 Q HN 0.744 nan 8.270 nan 0.000 0.487 152 W N -0.506 120.699 121.300 -0.158 0.000 3.499 152 W HA 0.472 5.132 4.660 0.000 0.000 0.288 152 W C -2.421 173.991 176.519 -0.179 0.000 1.258 152 W CA -0.685 56.536 57.345 -0.207 0.000 1.203 152 W CB 0.683 29.964 29.460 -0.297 0.000 1.325 152 W HN -0.104 nan 8.180 nan 0.000 0.564 153 I N 3.576 123.260 120.570 -1.477 0.000 2.908 153 I HA 0.640 4.810 4.170 0.000 0.000 0.300 153 I C -1.654 173.713 176.117 -1.251 0.000 1.385 153 I CA -0.081 60.551 61.300 -1.112 0.000 1.004 153 I CB 2.555 39.958 38.000 -0.996 0.000 1.309 153 I HN 0.405 nan 8.210 nan 0.000 0.449 154 T N 4.043 118.207 114.554 -0.650 0.000 3.087 154 T HA 0.369 4.719 4.350 0.000 0.000 0.351 154 T C -1.570 173.057 174.700 -0.121 0.000 1.520 154 T CA -0.325 61.563 62.100 -0.353 0.000 1.111 154 T CB 0.558 69.413 68.868 -0.023 0.000 1.353 154 T HN 0.543 nan 8.240 nan 0.000 0.481 155 W N 2.614 123.896 121.300 -0.031 0.000 1.992 155 W HA 0.458 5.118 4.660 0.000 0.000 0.360 155 W C 1.594 177.958 176.519 -0.259 0.000 1.369 155 W CA -0.226 57.052 57.345 -0.111 0.000 1.403 155 W CB 0.395 29.811 29.460 -0.075 0.000 1.215 155 W HN 0.831 nan 8.180 nan 0.000 0.643 156 S N -0.201 115.302 115.700 -0.327 0.000 2.484 156 S HA 0.087 4.557 4.470 0.000 0.000 0.256 156 S C 0.583 175.059 174.600 -0.207 0.000 1.223 156 S CA -0.227 57.441 58.200 -0.886 0.000 1.002 156 S CB 0.246 62.775 63.200 -1.118 0.000 1.043 156 S HN 0.650 nan 8.310 nan 0.000 0.517 157 Q N -0.212 119.498 119.800 -0.151 0.000 2.352 157 Q HA 0.155 4.495 4.340 0.000 0.000 0.212 157 Q C 0.653 176.624 176.000 -0.048 0.000 0.888 157 Q CA 0.334 56.131 55.803 -0.009 0.000 0.934 157 Q CB 0.274 29.040 28.738 0.048 0.000 1.093 157 Q HN 0.672 nan 8.270 nan 0.000 0.523 158 E N -0.652 119.470 120.200 -0.130 0.000 2.907 158 E HA 0.159 4.509 4.350 0.000 0.000 0.197 158 E C 1.008 177.518 176.600 -0.150 0.000 1.150 158 E CA 0.424 56.754 56.400 -0.117 0.000 1.134 158 E CB -0.827 28.800 29.700 -0.122 0.000 2.214 158 E HN 0.174 nan 8.360 nan 0.000 0.541 159 G N 1.188 109.842 108.800 -0.244 0.000 2.679 159 G HA2 -0.065 3.895 3.960 0.000 0.000 0.158 159 G HA3 -0.065 3.895 3.960 0.000 0.000 0.158 159 G C 0.138 174.876 174.900 -0.272 0.000 1.702 159 G CA 0.506 45.396 45.100 -0.351 0.000 1.041 159 G HN 0.486 nan 8.290 nan 0.000 0.507 160 H N -0.487 118.551 119.070 -0.053 0.000 2.510 160 H HA 0.382 4.938 4.556 0.000 0.000 0.266 160 H C -0.054 175.393 175.328 0.198 0.000 1.146 160 H CA -0.414 55.648 56.048 0.022 0.000 0.993 160 H CB -0.159 29.566 29.762 -0.062 0.000 1.727 160 H HN 0.188 nan 8.280 nan 0.000 0.590 161 K N 1.753 122.085 120.400 -0.113 0.000 2.350 161 K HA 0.368 4.688 4.320 0.000 0.000 0.279 161 K C -0.378 176.148 176.600 -0.123 0.000 1.027 161 K CA -0.138 56.006 56.287 -0.238 0.000 0.969 161 K CB 1.286 33.363 32.500 -0.704 0.000 0.954 161 K HN 0.144 nan 8.250 nan 0.000 0.474 162 L N 1.883 123.097 121.223 -0.014 0.000 2.362 162 L HA 0.610 4.950 4.340 0.000 0.000 0.271 162 L C -0.726 176.294 176.870 0.251 0.000 1.002 162 L CA -0.810 54.018 54.840 -0.020 0.000 0.818 162 L CB 2.084 43.993 42.059 -0.250 0.000 1.298 162 L HN 0.662 nan 8.230 nan 0.000 0.420 163 A N 2.523 125.505 122.820 0.270 0.000 2.359 163 A HA 0.775 5.095 4.320 0.000 0.000 0.303 163 A C -1.590 175.986 177.584 -0.014 0.000 1.066 163 A CA -0.390 51.717 52.037 0.116 0.000 0.730 163 A CB 1.050 20.078 19.000 0.048 0.000 1.211 163 A HN 0.616 nan 8.150 nan 0.000 0.439 164 Y N -0.144 120.104 120.300 -0.086 0.000 2.609 164 Y HA 0.807 5.357 4.550 0.000 0.000 0.342 164 Y C -1.156 174.751 175.900 0.011 0.000 1.058 164 Y CA -1.839 56.173 58.100 -0.146 0.000 1.055 164 Y CB 1.033 39.329 38.460 -0.274 0.000 1.292 164 Y HN 0.393 nan 8.280 nan 0.000 0.476 165 V N 2.065 122.174 119.914 0.325 0.000 2.495 165 V HA 0.430 4.550 4.120 0.000 0.000 0.298 165 V C -1.433 174.891 176.094 0.384 0.000 1.031 165 V CA -0.631 61.839 62.300 0.283 0.000 0.871 165 V CB 1.396 33.277 31.823 0.096 0.000 0.988 165 V HN 0.887 nan 8.190 nan 0.000 0.432 166 W N 4.888 126.290 121.300 0.170 0.000 3.274 166 W HA 0.543 5.203 4.660 0.000 0.000 0.327 166 W C 0.160 176.721 176.519 0.070 0.000 1.172 166 W CA -0.996 56.376 57.345 0.046 0.000 1.217 166 W CB 1.428 30.835 29.460 -0.087 0.000 1.376 166 W HN 0.507 nan 8.180 nan 0.000 0.507 167 K N 4.799 124.787 120.400 -0.686 0.000 3.035 167 K HA -0.325 3.995 4.320 0.000 0.000 0.262 167 K C 0.214 176.655 176.600 -0.266 0.000 1.024 167 K CA 1.671 57.579 56.287 -0.631 0.000 0.748 167 K CB -1.597 30.352 32.500 -0.918 0.000 1.247 167 K HN 0.882 nan 8.250 nan 0.000 0.482 168 N N -0.371 118.226 118.700 -0.172 0.000 2.800 168 N HA -0.161 4.579 4.740 0.000 0.000 0.250 168 N C -0.757 174.716 175.510 -0.062 0.000 1.078 168 N CA 1.716 54.686 53.050 -0.134 0.000 0.804 168 N CB -0.365 37.979 38.487 -0.238 0.000 1.135 168 N HN 0.464 nan 8.380 nan 0.000 0.565 169 D N -0.181 120.247 120.400 0.046 0.000 2.433 169 D HA 0.462 5.102 4.640 0.000 0.000 0.236 169 D C 0.361 176.669 176.300 0.013 0.000 1.026 169 D CA -0.474 53.515 54.000 -0.019 0.000 0.884 169 D CB 1.402 42.174 40.800 -0.046 0.000 1.384 169 D HN -0.020 nan 8.370 nan 0.000 0.477 170 I N 1.878 122.271 120.570 -0.295 0.000 2.365 170 I HA 0.206 4.376 4.170 0.000 0.000 0.291 170 I C -0.713 175.109 176.117 -0.492 0.000 1.004 170 I CA -0.373 60.729 61.300 -0.330 0.000 1.311 170 I CB 0.415 38.076 38.000 -0.564 0.000 1.401 170 I HN 0.143 nan 8.210 nan 0.000 0.491 171 Y N 4.528 124.524 120.300 -0.506 0.000 2.499 171 Y HA 0.637 5.187 4.550 0.000 0.000 0.347 171 Y C -0.150 175.374 175.900 -0.628 0.000 0.987 171 Y CA -0.904 56.820 58.100 -0.625 0.000 1.044 171 Y CB 2.028 39.888 38.460 -1.000 0.000 1.245 171 Y HN 0.154 nan 8.280 nan 0.000 0.461 172 V N 2.871 122.669 119.914 -0.193 0.000 2.823 172 V HA 0.537 4.657 4.120 0.000 0.000 0.312 172 V C -1.044 175.086 176.094 0.059 0.000 1.072 172 V CA -1.356 60.915 62.300 -0.047 0.000 0.937 172 V CB 2.337 34.175 31.823 0.024 0.000 1.013 172 V HN 0.632 nan 8.190 nan 0.000 0.430 173 K N 4.376 124.830 120.400 0.091 0.000 2.640 173 K HA 0.373 4.693 4.320 0.000 0.000 0.245 173 K C 0.026 176.673 176.600 0.079 0.000 0.962 173 K CA -0.564 55.786 56.287 0.104 0.000 0.896 173 K CB 1.971 34.512 32.500 0.067 0.000 1.147 173 K HN 0.428 nan 8.250 nan 0.000 0.445 174 I N 0.992 121.605 120.570 0.073 0.000 2.530 174 I HA -0.230 3.940 4.170 0.000 0.000 0.257 174 I C 0.654 176.800 176.117 0.049 0.000 1.179 174 I CA 1.282 62.595 61.300 0.021 0.000 1.440 174 I CB -0.382 37.620 38.000 0.003 0.000 1.087 174 I HN 0.640 nan 8.210 nan 0.000 0.440 175 E N -1.060 119.193 120.200 0.089 0.000 2.335 175 E HA 0.302 4.652 4.350 0.000 0.000 0.280 175 E C -2.344 174.246 176.600 -0.016 0.000 0.918 175 E CA -1.667 54.809 56.400 0.126 0.000 0.765 175 E CB 1.603 31.419 29.700 0.193 0.000 1.218 175 E HN -0.289 nan 8.360 nan 0.000 0.425 176 P HA -0.221 nan 4.420 nan 0.000 0.218 176 P C 0.521 177.670 177.300 -0.253 0.000 1.150 176 P CA 1.400 64.287 63.100 -0.353 0.000 0.841 176 P CB 0.078 31.281 31.700 -0.828 0.000 0.784 177 H N -1.941 117.103 119.070 -0.044 0.000 2.482 177 H HA 0.142 4.698 4.556 0.000 0.000 0.286 177 H C 1.194 176.529 175.328 0.013 0.000 1.017 177 H CA 0.363 56.416 56.048 0.007 0.000 1.322 177 H CB -0.304 29.478 29.762 0.034 0.000 1.426 177 H HN 0.171 nan 8.280 nan 0.000 0.546 178 L N 2.616 123.917 121.223 0.130 0.000 2.466 178 L HA 0.157 4.497 4.340 0.000 0.000 0.257 178 L C -1.727 175.184 176.870 0.069 0.000 1.189 178 L CA -1.765 53.137 54.840 0.102 0.000 0.813 178 L CB 0.239 42.369 42.059 0.118 0.000 1.118 178 L HN -0.003 nan 8.230 nan 0.000 0.471 179 P HA 0.039 nan 4.420 nan 0.000 0.274 179 P C -0.649 176.658 177.300 0.012 0.000 1.246 179 P CA -0.380 62.721 63.100 0.001 0.000 0.795 179 P CB 1.055 32.727 31.700 -0.048 0.000 1.006 180 S N 0.076 115.768 115.700 -0.014 0.000 2.580 180 S HA 0.169 4.639 4.470 0.000 0.000 0.274 180 S C -0.245 174.309 174.600 -0.077 0.000 1.329 180 S CA -0.270 57.950 58.200 0.032 0.000 1.036 180 S CB -0.362 62.890 63.200 0.086 0.000 0.919 180 S HN 0.365 nan 8.310 nan 0.000 0.515 181 H N 3.104 122.179 119.070 0.009 0.000 2.762 181 H HA 0.222 4.779 4.556 0.000 0.000 0.310 181 H C 0.028 175.278 175.328 -0.130 0.000 1.004 181 H CA -0.480 55.547 56.048 -0.036 0.000 1.267 181 H CB 0.836 30.572 29.762 -0.043 0.000 1.437 181 H HN 0.547 nan 8.280 nan 0.000 0.498 182 R N 3.391 123.822 120.500 -0.116 0.000 2.489 182 R HA 0.030 4.370 4.340 0.000 0.000 0.287 182 R C 0.627 176.714 176.300 -0.355 0.000 1.053 182 R CA -0.035 55.795 56.100 -0.449 0.000 1.036 182 R CB 0.298 30.359 30.300 -0.399 0.000 0.966 182 R HN 0.530 nan 8.270 nan 0.000 0.432 183 I N 2.154 122.436 120.570 -0.481 0.000 3.172 183 I HA 0.010 4.180 4.170 0.000 0.000 0.278 183 I C 0.967 176.859 176.117 -0.376 0.000 1.174 183 I CA 0.801 61.881 61.300 -0.367 0.000 1.445 183 I CB -0.467 37.283 38.000 -0.418 0.000 1.175 183 I HN 0.693 nan 8.210 nan 0.000 0.447 184 T N -1.469 112.813 114.554 -0.454 0.000 2.916 184 T HA 0.529 4.879 4.350 0.000 0.000 0.292 184 T C 0.339 174.868 174.700 -0.285 0.000 1.055 184 T CA -0.160 61.729 62.100 -0.352 0.000 1.009 184 T CB 2.379 71.021 68.868 -0.377 0.000 1.118 184 T HN 0.113 nan 8.240 nan 0.000 0.497 185 S N -1.274 114.313 115.700 -0.187 0.000 2.893 185 S HA 0.109 4.579 4.470 0.000 0.000 0.258 185 S C 1.479 176.028 174.600 -0.084 0.000 1.034 185 S CA 0.292 58.417 58.200 -0.124 0.000 1.167 185 S CB -0.424 62.718 63.200 -0.097 0.000 1.137 185 S HN 1.002 nan 8.310 nan 0.000 0.650 186 T N -0.394 114.108 114.554 -0.088 0.000 3.113 186 T HA 0.279 4.629 4.350 0.000 0.000 0.256 186 T C 1.151 175.826 174.700 -0.042 0.000 1.131 186 T CA 0.433 62.504 62.100 -0.050 0.000 1.074 186 T CB -0.623 68.223 68.868 -0.036 0.000 0.944 186 T HN 0.487 nan 8.240 nan 0.000 0.516 187 G N 1.126 109.885 108.800 -0.068 0.000 2.353 187 G HA2 0.368 4.328 3.960 0.000 0.000 0.239 187 G HA3 0.368 4.328 3.960 0.000 0.000 0.239 187 G C -0.649 174.193 174.900 -0.097 0.000 1.295 187 G CA -0.460 44.590 45.100 -0.084 0.000 0.884 187 G HN 0.593 nan 8.290 nan 0.000 0.537 188 K N 1.848 122.171 120.400 -0.129 0.000 2.589 188 K HA 0.166 4.486 4.320 0.000 0.000 0.253 188 K C -0.265 176.225 176.600 -0.184 0.000 0.974 188 K CA -0.693 55.522 56.287 -0.120 0.000 0.835 188 K CB 1.573 34.047 32.500 -0.045 0.000 1.272 188 K HN 0.664 nan 8.250 nan 0.000 0.444 189 E N 3.922 124.010 120.200 -0.186 0.000 2.820 189 E HA -0.171 4.179 4.350 0.000 0.000 0.251 189 E C -0.438 176.086 176.600 -0.127 0.000 0.944 189 E CA 0.721 56.993 56.400 -0.212 0.000 0.955 189 E CB 0.087 29.689 29.700 -0.162 0.000 0.904 189 E HN 0.633 nan 8.360 nan 0.000 0.513 190 N N 2.286 120.880 118.700 -0.177 0.000 2.725 190 N HA -0.189 4.551 4.740 0.000 0.000 0.249 190 N C -0.431 175.231 175.510 0.254 0.000 1.103 190 N CA 1.013 54.133 53.050 0.117 0.000 0.707 190 N CB -1.063 37.456 38.487 0.053 0.000 1.043 190 N HN 0.347 nan 8.380 nan 0.000 0.553 191 V N -1.909 118.092 119.914 0.146 0.000 4.397 191 V HA 0.252 4.372 4.120 0.000 0.000 0.158 191 V C 0.215 176.476 176.094 0.279 0.000 1.309 191 V CA 0.221 62.656 62.300 0.226 0.000 1.184 191 V CB 0.615 32.515 31.823 0.129 0.000 1.330 191 V HN 0.045 nan 8.190 nan 0.000 0.607 192 I N 1.713 122.339 120.570 0.094 0.000 2.389 192 I HA 0.514 4.685 4.170 0.000 0.000 0.288 192 I C -1.393 174.758 176.117 0.058 0.000 0.999 192 I CA -0.410 60.993 61.300 0.173 0.000 1.129 192 I CB 0.971 39.022 38.000 0.086 0.000 1.288 192 I HN 0.108 nan 8.210 nan 0.000 0.444 193 F N 4.987 125.041 119.950 0.173 0.000 2.426 193 F HA 0.431 4.958 4.527 0.000 0.000 0.348 193 F C 0.566 176.455 175.800 0.149 0.000 1.124 193 F CA -0.730 57.380 58.000 0.184 0.000 1.008 193 F CB 1.020 40.207 39.000 0.312 0.000 1.139 193 F HN 0.313 nan 8.300 nan 0.000 0.452 194 N N 2.226 121.027 118.700 0.169 0.000 2.476 194 N HA 0.393 5.133 4.740 0.000 0.000 0.257 194 N C 0.792 176.299 175.510 -0.004 0.000 0.970 194 N CA 0.145 53.236 53.050 0.068 0.000 0.938 194 N CB 1.802 40.235 38.487 -0.090 0.000 1.144 194 N HN 0.882 nan 8.380 nan 0.000 0.500 195 G N 1.624 110.451 108.800 0.045 0.000 2.159 195 G HA2 -0.235 3.725 3.960 0.000 0.000 0.256 195 G HA3 -0.235 3.725 3.960 0.000 0.000 0.256 195 G C 0.082 174.885 174.900 -0.163 0.000 0.977 195 G CA 0.681 45.732 45.100 -0.082 0.000 0.652 195 G HN 0.673 nan 8.290 nan 0.000 0.531 196 I N -3.961 116.593 120.570 -0.026 0.000 3.006 196 I HA 0.623 4.793 4.170 0.000 0.000 0.306 196 I C -0.859 175.382 176.117 0.207 0.000 1.250 196 I CA -1.573 59.633 61.300 -0.156 0.000 0.996 196 I CB 1.632 39.350 38.000 -0.470 0.000 1.261 196 I HN -0.118 nan 8.210 nan 0.000 0.442 197 N N 2.790 121.572 118.700 0.137 0.000 2.495 197 N HA 0.220 4.960 4.740 0.000 0.000 0.280 197 N C -0.973 174.400 175.510 -0.228 0.000 1.168 197 N CA -0.332 52.639 53.050 -0.133 0.000 0.978 197 N CB 1.093 39.564 38.487 -0.027 0.000 1.191 197 N HN 0.765 nan 8.380 nan 0.000 0.497 198 D N -0.640 119.256 120.400 -0.839 0.000 2.447 198 D HA -0.050 4.590 4.640 0.000 0.000 0.265 198 D C 1.115 177.271 176.300 -0.239 0.000 1.250 198 D CA -0.465 52.943 54.000 -0.986 0.000 1.046 198 D CB 0.530 40.663 40.800 -1.113 0.000 1.095 198 D HN 0.520 nan 8.370 nan 0.000 0.555 199 W N 0.341 121.520 121.300 -0.203 0.000 2.315 199 W HA -0.248 4.412 4.660 0.000 0.000 0.323 199 W C 2.289 178.647 176.519 -0.268 0.000 1.233 199 W CA 2.624 59.837 57.345 -0.219 0.000 1.267 199 W CB -0.608 28.661 29.460 -0.318 0.000 1.160 199 W HN 0.202 nan 8.180 nan 0.000 0.474 200 V N -0.108 119.835 119.914 0.048 0.000 2.343 200 V HA -0.321 3.799 4.120 0.000 0.000 0.247 200 V C 2.011 177.923 176.094 -0.304 0.000 1.051 200 V CA 2.217 64.434 62.300 -0.137 0.000 1.036 200 V CB -0.861 30.933 31.823 -0.048 0.000 0.654 200 V HN 0.308 nan 8.190 nan 0.000 0.451 201 Y N 0.567 120.664 120.300 -0.338 0.000 2.181 201 Y HA -0.194 4.356 4.550 0.000 0.000 0.288 201 Y C 2.685 178.438 175.900 -0.245 0.000 1.146 201 Y CA 2.188 60.097 58.100 -0.319 0.000 1.164 201 Y CB -0.222 37.961 38.460 -0.461 0.000 0.982 201 Y HN 0.339 nan 8.280 nan 0.000 0.515 202 E N 0.288 120.417 120.200 -0.119 0.000 2.085 202 E HA -0.287 4.063 4.350 0.000 0.000 0.194 202 E C 1.899 178.389 176.600 -0.184 0.000 0.994 202 E CA 1.675 58.020 56.400 -0.092 0.000 0.801 202 E CB 0.082 29.724 29.700 -0.095 0.000 0.743 202 E HN 0.495 nan 8.360 nan 0.000 0.453 203 E N 0.136 120.062 120.200 -0.456 0.000 2.060 203 E HA -0.098 4.252 4.350 0.000 0.000 0.189 203 E C 1.667 178.080 176.600 -0.312 0.000 0.974 203 E CA 1.137 57.257 56.400 -0.466 0.000 0.808 203 E CB 0.159 29.280 29.700 -0.965 0.000 0.768 203 E HN 0.111 nan 8.360 nan 0.000 0.453 204 E N -0.282 119.709 120.200 -0.349 0.000 2.452 204 E HA 0.084 4.434 4.350 0.000 0.000 0.197 204 E C 1.480 177.886 176.600 -0.324 0.000 1.022 204 E CA 0.182 56.416 56.400 -0.278 0.000 0.890 204 E CB 0.718 30.258 29.700 -0.266 0.000 0.918 204 E HN 0.350 nan 8.360 nan 0.000 0.496 205 I N -0.948 119.386 120.570 -0.394 0.000 3.744 205 I HA 0.056 4.226 4.170 0.000 0.000 0.240 205 I C 1.848 177.734 176.117 -0.386 0.000 1.096 205 I CA 0.395 61.389 61.300 -0.510 0.000 1.558 205 I CB -1.147 36.349 38.000 -0.841 0.000 1.531 205 I HN -0.067 nan 8.210 nan 0.000 0.459 206 F N 1.675 121.614 119.950 -0.019 0.000 2.661 206 F HA 0.176 4.703 4.527 0.000 0.000 0.298 206 F C 1.936 177.691 175.800 -0.075 0.000 1.137 206 F CA 0.828 58.839 58.000 0.019 0.000 1.454 206 F CB -0.251 38.810 39.000 0.102 0.000 1.103 206 F HN 0.417 nan 8.300 nan 0.000 0.577 207 G N 0.582 109.372 108.800 -0.017 0.000 2.196 207 G HA2 -0.145 3.815 3.960 0.000 0.000 0.268 207 G HA3 -0.145 3.815 3.960 0.000 0.000 0.268 207 G C 0.129 174.666 174.900 -0.604 0.000 0.975 207 G CA 0.186 45.166 45.100 -0.201 0.000 0.648 207 G HN 0.791 nan 8.290 nan 0.000 0.538 208 A N -2.397 120.246 122.820 -0.296 0.000 2.568 208 A HA 0.732 5.052 4.320 0.000 0.000 0.291 208 A C 0.199 177.748 177.584 -0.059 0.000 1.159 208 A CA 0.372 52.227 52.037 -0.304 0.000 0.679 208 A CB 0.187 19.037 19.000 -0.251 0.000 1.285 208 A HN 0.814 nan 8.150 nan 0.000 0.428 209 Y N 0.950 121.100 120.300 -0.249 0.000 2.314 209 Y HA 0.131 4.681 4.550 0.000 0.000 0.294 209 Y C 1.728 177.327 175.900 -0.501 0.000 1.119 209 Y CA 1.030 58.974 58.100 -0.260 0.000 1.179 209 Y CB -0.264 38.071 38.460 -0.208 0.000 1.025 209 Y HN 0.640 nan 8.280 nan 0.000 0.541 210 S N 0.455 115.637 115.700 -0.863 0.000 2.558 210 S HA 0.311 4.781 4.470 0.000 0.000 0.293 210 S C 0.445 174.531 174.600 -0.856 0.000 1.292 210 S CA 0.401 57.846 58.200 -1.257 0.000 1.063 210 S CB 0.336 62.634 63.200 -1.504 0.000 0.831 210 S HN 0.447 nan 8.310 nan 0.000 0.499 211 A N 5.241 127.543 122.820 -0.864 0.000 2.573 211 A HA 0.467 4.787 4.320 0.000 0.000 0.269 211 A C -0.371 176.576 177.584 -1.062 0.000 0.901 211 A CA -0.478 51.008 52.037 -0.918 0.000 1.066 211 A CB 0.062 18.922 19.000 -0.233 0.000 1.221 211 A HN 0.686 nan 8.150 nan 0.000 0.483 212 L N -0.188 120.338 121.223 -1.161 0.000 2.333 212 L HA 0.675 5.015 4.340 0.000 0.000 0.269 212 L C -0.954 175.391 176.870 -0.874 0.000 1.010 212 L CA -0.737 53.693 54.840 -0.684 0.000 0.818 212 L CB 1.828 43.721 42.059 -0.277 0.000 1.306 212 L HN 0.404 nan 8.230 nan 0.000 0.430 213 W N 1.603 122.943 121.300 0.066 0.000 2.822 213 W HA 0.167 4.827 4.660 0.000 0.000 0.317 213 W C -1.446 175.287 176.519 0.355 0.000 1.033 213 W CA -1.117 56.392 57.345 0.274 0.000 1.252 213 W CB 0.955 30.619 29.460 0.339 0.000 1.186 213 W HN 0.484 nan 8.180 nan 0.000 0.383 214 W N 2.820 124.323 121.300 0.337 0.000 2.216 214 W HA 0.257 4.917 4.660 0.000 0.000 0.326 214 W C 1.346 177.713 176.519 -0.254 0.000 1.319 214 W CA 0.454 57.858 57.345 0.097 0.000 1.213 214 W CB 0.919 30.409 29.460 0.050 0.000 1.171 214 W HN 0.160 nan 8.180 nan 0.000 0.557 215 S N 3.818 119.257 115.700 -0.435 0.000 2.614 215 S HA 0.473 4.943 4.470 0.000 0.000 0.265 215 S C -2.352 171.961 174.600 -0.478 0.000 1.303 215 S CA -1.381 55.953 58.200 -1.442 0.000 1.000 215 S CB 1.048 63.255 63.200 -1.654 0.000 0.935 215 S HN 0.155 nan 8.310 nan 0.000 0.551 216 P HA 0.268 nan 4.420 nan 0.000 0.273 216 P C 0.084 177.326 177.300 -0.098 0.000 1.250 216 P CA -0.170 62.870 63.100 -0.100 0.000 0.793 216 P CB 0.113 31.811 31.700 -0.003 0.000 1.011 217 N N -0.507 118.156 118.700 -0.062 0.000 2.690 217 N HA -0.203 4.537 4.740 0.000 0.000 0.249 217 N C 0.693 176.140 175.510 -0.106 0.000 1.125 217 N CA 1.610 54.619 53.050 -0.069 0.000 0.794 217 N CB -1.851 36.612 38.487 -0.040 0.000 1.152 217 N HN 0.892 nan 8.380 nan 0.000 0.571 218 G N -0.457 108.276 108.800 -0.113 0.000 2.451 218 G HA2 -0.376 3.584 3.960 0.000 0.000 0.296 218 G HA3 -0.376 3.584 3.960 0.000 0.000 0.296 218 G C 1.031 175.904 174.900 -0.045 0.000 0.922 218 G CA 1.468 46.520 45.100 -0.081 0.000 1.074 218 G HN 0.491 nan 8.290 nan 0.000 0.509 219 T N -0.567 113.911 114.554 -0.126 0.000 2.818 219 T HA 0.269 4.619 4.350 0.000 0.000 0.246 219 T C 1.034 175.575 174.700 -0.265 0.000 1.036 219 T CA 0.846 62.762 62.100 -0.306 0.000 1.160 219 T CB -0.007 68.477 68.868 -0.641 0.000 0.869 219 T HN 0.287 nan 8.240 nan 0.000 0.419 220 F N 0.694 120.658 119.950 0.024 0.000 2.380 220 F HA 0.624 5.151 4.527 0.000 0.000 0.321 220 F C -0.149 175.688 175.800 0.062 0.000 1.103 220 F CA -1.304 56.745 58.000 0.083 0.000 1.067 220 F CB 0.641 39.769 39.000 0.213 0.000 1.265 220 F HN -0.053 nan 8.300 nan 0.000 0.517 221 L N 1.904 123.259 121.223 0.220 0.000 2.446 221 L HA 0.726 5.066 4.340 0.000 0.000 0.268 221 L C -0.860 176.074 176.870 0.106 0.000 0.975 221 L CA -0.734 54.048 54.840 -0.097 0.000 0.848 221 L CB 0.749 42.422 42.059 -0.643 0.000 1.225 221 L HN 0.655 nan 8.230 nan 0.000 0.410 222 A N 4.741 127.716 122.820 0.257 0.000 2.306 222 A HA 0.785 5.105 4.320 0.000 0.000 0.314 222 A C -1.306 176.334 177.584 0.093 0.000 1.164 222 A CA -0.229 51.827 52.037 0.031 0.000 0.822 222 A CB 0.485 19.511 19.000 0.044 0.000 1.130 222 A HN 0.911 nan 8.150 nan 0.000 0.496 223 Y N -1.241 118.866 120.300 -0.321 0.000 2.625 223 Y HA 0.801 5.351 4.550 0.000 0.000 0.338 223 Y C -0.255 175.518 175.900 -0.211 0.000 1.123 223 Y CA -0.962 57.042 58.100 -0.162 0.000 1.046 223 Y CB 1.009 39.353 38.460 -0.193 0.000 1.299 223 Y HN 0.882 nan 8.280 nan 0.000 0.464 224 A N 1.732 124.597 122.820 0.075 0.000 2.330 224 A HA 0.707 5.027 4.320 0.000 0.000 0.329 224 A C -1.315 176.169 177.584 -0.167 0.000 1.135 224 A CA -0.862 51.106 52.037 -0.114 0.000 0.817 224 A CB 1.852 20.789 19.000 -0.106 0.000 1.269 224 A HN 0.813 nan 8.150 nan 0.000 0.469 225 Q N 1.086 120.675 119.800 -0.351 0.000 2.274 225 Q HA 0.576 4.916 4.340 0.000 0.000 0.268 225 Q C -2.149 173.648 176.000 -0.340 0.000 1.015 225 Q CA -0.318 55.401 55.803 -0.141 0.000 0.775 225 Q CB 1.109 29.989 28.738 0.237 0.000 1.256 225 Q HN 0.597 nan 8.270 nan 0.000 0.442 226 F N 2.233 122.281 119.950 0.163 0.000 2.443 226 F HA 0.436 4.963 4.527 0.000 0.000 0.335 226 F C 0.456 176.388 175.800 0.222 0.000 1.104 226 F CA -0.955 57.101 58.000 0.093 0.000 1.013 226 F CB 1.311 40.246 39.000 -0.109 0.000 1.136 226 F HN 0.427 nan 8.300 nan 0.000 0.470 227 N N 1.934 120.833 118.700 0.332 0.000 2.446 227 N HA 0.181 4.921 4.740 0.000 0.000 0.265 227 N C -0.419 175.245 175.510 0.258 0.000 0.975 227 N CA -0.217 53.000 53.050 0.278 0.000 0.928 227 N CB 1.021 39.621 38.487 0.188 0.000 1.160 227 N HN 0.549 nan 8.380 nan 0.000 0.495 228 D N 1.731 122.309 120.400 0.295 0.000 2.349 228 D HA 0.059 4.699 4.640 0.000 0.000 0.214 228 D C 1.207 177.628 176.300 0.202 0.000 1.063 228 D CA 0.223 54.370 54.000 0.245 0.000 0.847 228 D CB 0.396 41.388 40.800 0.319 0.000 0.933 228 D HN 0.522 nan 8.370 nan 0.000 0.513 229 T N -0.144 114.520 114.554 0.183 0.000 2.602 229 T HA -0.229 4.121 4.350 0.000 0.000 0.264 229 T C 1.692 176.461 174.700 0.115 0.000 1.085 229 T CA 2.048 64.233 62.100 0.140 0.000 1.164 229 T CB -0.271 68.665 68.868 0.114 0.000 0.860 229 T HN 0.343 nan 8.240 nan 0.000 0.442 230 G N 0.139 109.000 108.800 0.102 0.000 3.042 230 G HA2 0.310 4.270 3.960 0.000 0.000 0.212 230 G HA3 0.310 4.270 3.960 0.000 0.000 0.212 230 G C 0.287 175.239 174.900 0.087 0.000 1.166 230 G CA -0.212 44.937 45.100 0.081 0.000 0.767 230 G HN 0.439 nan 8.290 nan 0.000 0.546 231 V N 2.215 122.196 119.914 0.111 0.000 2.508 231 V HA 0.167 4.287 4.120 0.000 0.000 0.281 231 V C -1.595 174.569 176.094 0.116 0.000 1.041 231 V CA -1.330 61.040 62.300 0.116 0.000 1.016 231 V CB 1.424 33.328 31.823 0.135 0.000 0.984 231 V HN 0.090 nan 8.190 nan 0.000 0.478 232 P HA 0.185 nan 4.420 nan 0.000 0.270 232 P C -0.669 176.687 177.300 0.094 0.000 1.227 232 P CA -0.049 63.099 63.100 0.079 0.000 0.788 232 P CB 0.492 32.233 31.700 0.068 0.000 0.926 233 L N 1.156 122.415 121.223 0.059 0.000 2.333 233 L HA 0.609 4.949 4.340 0.000 0.000 0.269 233 L C 0.078 176.932 176.870 -0.027 0.000 1.010 233 L CA -1.047 53.834 54.840 0.068 0.000 0.818 233 L CB 1.338 43.461 42.059 0.106 0.000 1.306 233 L HN 0.289 nan 8.230 nan 0.000 0.430 234 I N -1.283 119.238 120.570 -0.083 0.000 2.509 234 I HA 0.532 4.702 4.170 0.000 0.000 0.293 234 I C -0.827 175.201 176.117 -0.148 0.000 1.020 234 I CA -0.375 60.772 61.300 -0.255 0.000 1.088 234 I CB 1.937 39.544 38.000 -0.655 0.000 1.267 234 I HN 0.495 nan 8.210 nan 0.000 0.430 235 E N 5.691 125.811 120.200 -0.134 0.000 2.255 235 E HA 0.326 4.676 4.350 0.000 0.000 0.256 235 E C -1.750 174.800 176.600 -0.083 0.000 0.887 235 E CA -0.726 55.616 56.400 -0.097 0.000 0.782 235 E CB 1.806 31.475 29.700 -0.051 0.000 1.214 235 E HN 0.688 nan 8.360 nan 0.000 0.417 236 Y N -0.409 119.844 120.300 -0.079 0.000 2.487 236 Y HA 0.661 5.211 4.550 0.000 0.000 0.337 236 Y C -0.151 175.706 175.900 -0.072 0.000 1.076 236 Y CA -1.195 56.848 58.100 -0.094 0.000 1.115 236 Y CB 1.033 39.450 38.460 -0.072 0.000 1.235 236 Y HN 0.068 nan 8.280 nan 0.000 0.468 237 S N 2.495 118.231 115.700 0.060 0.000 2.585 237 S HA 0.474 4.944 4.470 0.000 0.000 0.277 237 S C -1.411 173.100 174.600 -0.149 0.000 1.241 237 S CA -0.491 57.621 58.200 -0.145 0.000 1.041 237 S CB 0.463 63.451 63.200 -0.353 0.000 0.987 237 S HN 0.577 nan 8.310 nan 0.000 0.512 238 F N 1.783 121.514 119.950 -0.365 0.000 2.495 238 F HA 0.475 5.002 4.527 0.000 0.000 0.327 238 F C -0.326 175.229 175.800 -0.408 0.000 1.103 238 F CA -0.816 57.037 58.000 -0.246 0.000 0.949 238 F CB 0.994 39.984 39.000 -0.017 0.000 1.142 238 F HN 0.660 nan 8.300 nan 0.000 0.457 239 Y N 2.371 122.447 120.300 -0.373 0.000 2.524 239 Y HA 0.203 4.753 4.550 0.000 0.000 0.270 239 Y C 1.555 177.378 175.900 -0.127 0.000 1.094 239 Y CA 0.768 58.757 58.100 -0.185 0.000 1.276 239 Y CB -0.545 37.806 38.460 -0.181 0.000 1.130 239 Y HN 0.720 nan 8.280 nan 0.000 0.536 240 S N 0.121 115.725 115.700 -0.161 0.000 3.323 240 S HA -0.229 4.241 4.470 0.000 0.000 0.637 240 S C -0.427 174.222 174.600 0.081 0.000 2.667 240 S CA 0.281 58.540 58.200 0.098 0.000 2.852 240 S CB -0.982 62.394 63.200 0.292 0.000 0.331 240 S HN 0.494 nan 8.310 nan 0.000 1.796 241 D N 1.974 122.437 120.400 0.106 0.000 2.474 241 D HA 0.027 4.667 4.640 0.000 0.000 0.232 241 D C 1.506 177.842 176.300 0.060 0.000 1.177 241 D CA 0.896 54.941 54.000 0.074 0.000 0.876 241 D CB 0.120 40.965 40.800 0.075 0.000 1.208 241 D HN 0.716 nan 8.370 nan 0.000 0.464 242 E N -0.608 119.616 120.200 0.040 0.000 2.472 242 E HA -0.131 4.219 4.350 0.000 0.000 0.200 242 E C 1.094 177.713 176.600 0.030 0.000 1.046 242 E CA 0.542 56.959 56.400 0.027 0.000 0.871 242 E CB -0.073 29.634 29.700 0.013 0.000 0.806 242 E HN 0.300 nan 8.360 nan 0.000 0.533 243 S N 0.446 116.171 115.700 0.041 0.000 2.527 243 S HA 0.003 4.473 4.470 0.000 0.000 0.222 243 S C 0.792 175.424 174.600 0.053 0.000 0.985 243 S CA -0.435 57.790 58.200 0.041 0.000 0.921 243 S CB -0.155 63.070 63.200 0.042 0.000 0.772 243 S HN 0.269 nan 8.310 nan 0.000 0.529 244 L N 2.817 124.081 121.223 0.068 0.000 2.342 244 L HA 0.367 4.707 4.340 0.000 0.000 0.285 244 L C 1.352 178.267 176.870 0.074 0.000 1.095 244 L CA 0.015 54.908 54.840 0.088 0.000 0.843 244 L CB 0.614 42.741 42.059 0.113 0.000 1.201 244 L HN 0.296 nan 8.230 nan 0.000 0.445 245 Q N 4.103 123.949 119.800 0.078 0.000 2.020 245 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 245 Q C -0.465 175.488 176.000 -0.078 0.000 0.982 245 Q CA 1.606 57.413 55.803 0.007 0.000 0.838 245 Q CB 0.032 28.804 28.738 0.057 0.000 0.899 245 Q HN 0.660 nan 8.270 nan 0.000 0.423 246 Y N 1.510 121.831 120.300 0.035 0.000 2.342 246 Y HA 0.353 4.903 4.550 0.000 0.000 0.338 246 Y C -2.034 173.887 175.900 0.035 0.000 0.965 246 Y CA -3.011 55.107 58.100 0.030 0.000 1.159 246 Y CB 1.165 39.635 38.460 0.016 0.000 1.157 246 Y HN 0.223 nan 8.280 nan 0.000 0.486 247 P HA 0.010 nan 4.420 nan 0.000 0.267 247 P C -0.438 176.889 177.300 0.046 0.000 1.205 247 P CA -0.208 62.933 63.100 0.069 0.000 0.765 247 P CB 0.974 32.674 31.700 0.001 0.000 0.828 248 K N 1.905 122.341 120.400 0.060 0.000 2.156 248 K HA 0.298 4.618 4.320 0.000 0.000 0.242 248 K C 0.425 177.024 176.600 -0.001 0.000 1.033 248 K CA 0.188 56.507 56.287 0.053 0.000 0.878 248 K CB 0.038 32.587 32.500 0.082 0.000 1.057 248 K HN 0.406 nan 8.250 nan 0.000 0.505 249 T N 0.355 114.908 114.554 -0.002 0.000 2.881 249 T HA 0.351 4.701 4.350 0.000 0.000 0.290 249 T C -0.851 173.824 174.700 -0.042 0.000 1.000 249 T CA -0.673 61.405 62.100 -0.037 0.000 0.978 249 T CB 1.665 70.529 68.868 -0.008 0.000 0.997 249 T HN 0.153 nan 8.240 nan 0.000 0.443 250 V N 4.928 124.697 119.914 -0.241 0.000 2.409 250 V HA 0.579 4.699 4.120 0.000 0.000 0.291 250 V C -0.545 175.383 176.094 -0.277 0.000 1.020 250 V CA -0.931 61.152 62.300 -0.363 0.000 0.848 250 V CB 1.046 32.443 31.823 -0.709 0.000 0.990 250 V HN 0.808 nan 8.190 nan 0.000 0.430 251 W N 5.062 126.234 121.300 -0.214 0.000 2.578 251 W HA 0.906 5.567 4.660 0.000 0.000 0.346 251 W C -1.132 175.368 176.519 -0.033 0.000 1.075 251 W CA -1.809 55.449 57.345 -0.144 0.000 1.233 251 W CB 1.101 30.506 29.460 -0.092 0.000 1.358 251 W HN 0.340 nan 8.180 nan 0.000 0.574 252 I N 2.921 123.574 120.570 0.138 0.000 2.649 252 I HA 0.172 4.342 4.170 0.000 0.000 0.289 252 I C -2.380 173.826 176.117 0.149 0.000 1.222 252 I CA -2.246 59.112 61.300 0.097 0.000 1.046 252 I CB 3.102 41.082 38.000 -0.034 0.000 1.272 252 I HN -0.022 nan 8.210 nan 0.000 0.425 253 P HA 0.029 nan 4.420 nan 0.000 0.269 253 P C -1.452 175.946 177.300 0.164 0.000 1.252 253 P CA 0.350 63.577 63.100 0.211 0.000 0.780 253 P CB 0.018 31.872 31.700 0.258 0.000 0.829 254 Y N 6.931 127.212 120.300 -0.031 0.000 2.329 254 Y HA 0.400 4.950 4.550 0.000 0.000 0.328 254 Y C -2.397 173.491 175.900 -0.020 0.000 0.992 254 Y CA -2.865 55.171 58.100 -0.107 0.000 1.151 254 Y CB 2.494 40.788 38.460 -0.277 0.000 1.150 254 Y HN 0.256 nan 8.280 nan 0.000 0.450 255 P HA 0.225 nan 4.420 nan 0.000 0.291 255 P C -1.290 176.161 177.300 0.253 0.000 1.340 255 P CA -0.326 62.882 63.100 0.181 0.000 0.799 255 P CB 1.462 33.219 31.700 0.096 0.000 0.917 256 K N 2.049 122.635 120.400 0.310 0.000 2.107 256 K HA 0.484 4.804 4.320 0.000 0.000 0.251 256 K C 0.621 177.349 176.600 0.214 0.000 1.012 256 K CA -0.651 55.819 56.287 0.305 0.000 0.920 256 K CB 0.573 33.225 32.500 0.254 0.000 1.033 256 K HN 0.469 nan 8.250 nan 0.000 0.478 257 A N 0.893 123.860 122.820 0.245 0.000 2.608 257 A HA 0.187 4.507 4.320 0.000 0.000 0.239 257 A C 1.302 178.946 177.584 0.101 0.000 1.018 257 A CA 1.123 53.287 52.037 0.212 0.000 0.766 257 A CB -1.144 18.067 19.000 0.352 0.000 0.928 257 A HN 0.946 nan 8.150 nan 0.000 0.512 258 G N 0.788 109.630 108.800 0.070 0.000 2.189 258 G HA2 0.073 4.033 3.960 0.000 0.000 0.267 258 G HA3 0.073 4.033 3.960 0.000 0.000 0.267 258 G C 0.716 175.636 174.900 0.032 0.000 0.975 258 G CA 1.099 46.210 45.100 0.019 0.000 0.644 258 G HN 2.267 nan 8.290 nan 0.000 0.537 259 A N -0.556 122.301 122.820 0.062 0.000 2.246 259 A HA 0.750 5.070 4.320 0.000 0.000 0.291 259 A C 0.815 178.434 177.584 0.058 0.000 1.103 259 A CA 0.239 52.313 52.037 0.062 0.000 0.844 259 A CB 0.803 19.855 19.000 0.087 0.000 1.136 259 A HN 1.112 nan 8.150 nan 0.000 0.500 260 V N 2.492 122.439 119.914 0.056 0.000 2.493 260 V HA -0.001 4.119 4.120 0.000 0.000 0.292 260 V C 0.244 176.377 176.094 0.064 0.000 1.016 260 V CA 0.126 62.457 62.300 0.051 0.000 1.097 260 V CB -0.341 31.513 31.823 0.052 0.000 0.947 260 V HN 0.792 nan 8.190 nan 0.000 0.479 261 N N 7.014 125.743 118.700 0.048 0.000 2.495 261 N HA 0.453 5.193 4.740 0.000 0.000 0.280 261 N C -2.326 173.233 175.510 0.081 0.000 1.168 261 N CA -1.447 51.640 53.050 0.062 0.000 0.978 261 N CB 1.130 39.624 38.487 0.012 0.000 1.191 261 N HN 0.390 nan 8.380 nan 0.000 0.497 262 P HA 0.073 nan 4.420 nan 0.000 0.272 262 P C -0.422 176.978 177.300 0.167 0.000 1.223 262 P CA -0.123 63.077 63.100 0.166 0.000 0.784 262 P CB 0.389 32.199 31.700 0.183 0.000 0.923 263 T N -1.301 113.347 114.554 0.157 0.000 2.944 263 T HA 0.632 4.982 4.350 0.000 0.000 0.284 263 T C -0.004 174.782 174.700 0.144 0.000 1.010 263 T CA -0.673 61.490 62.100 0.105 0.000 1.025 263 T CB 1.004 69.920 68.868 0.081 0.000 1.079 263 T HN 0.231 nan 8.240 nan 0.000 0.516 264 V N 0.374 120.333 119.914 0.074 0.000 3.040 264 V HA 0.760 4.880 4.120 0.000 0.000 0.312 264 V C -0.475 175.630 176.094 0.019 0.000 1.115 264 V CA -1.150 61.157 62.300 0.012 0.000 0.998 264 V CB 2.021 33.895 31.823 0.085 0.000 1.042 264 V HN 0.998 nan 8.190 nan 0.000 0.433 265 K N 1.328 121.678 120.400 -0.082 0.000 2.542 265 K HA 0.580 4.900 4.320 0.000 0.000 0.259 265 K C -2.044 174.379 176.600 -0.294 0.000 0.932 265 K CA -0.493 55.691 56.287 -0.172 0.000 0.820 265 K CB 2.889 35.281 32.500 -0.179 0.000 1.345 265 K HN 0.564 nan 8.250 nan 0.000 0.432 266 F N 3.001 122.584 119.950 -0.612 0.000 2.482 266 F HA 0.597 5.124 4.527 0.000 0.000 0.331 266 F C -1.408 173.822 175.800 -0.950 0.000 1.115 266 F CA -0.573 57.069 58.000 -0.595 0.000 0.955 266 F CB 0.788 39.615 39.000 -0.287 0.000 1.136 266 F HN 0.388 nan 8.300 nan 0.000 0.452 267 F N 5.345 124.589 119.950 -1.177 0.000 2.620 267 F HA 0.715 5.242 4.527 0.000 0.000 0.320 267 F C -0.775 174.402 175.800 -1.040 0.000 1.069 267 F CA -1.043 56.368 58.000 -0.982 0.000 0.953 267 F CB 1.977 40.344 39.000 -1.053 0.000 1.322 267 F HN 0.115 nan 8.300 nan 0.000 0.479 268 I N 2.214 122.593 120.570 -0.319 0.000 2.534 268 I HA 0.446 4.616 4.170 0.000 0.000 0.288 268 I C -1.433 174.762 176.117 0.130 0.000 1.077 268 I CA -0.910 60.283 61.300 -0.177 0.000 1.051 268 I CB 2.119 39.855 38.000 -0.440 0.000 1.234 268 I HN 0.310 nan 8.210 nan 0.000 0.425 269 V N 6.352 126.398 119.914 0.221 0.000 2.555 269 V HA 0.435 4.555 4.120 0.000 0.000 0.302 269 V C -0.363 175.901 176.094 0.283 0.000 1.038 269 V CA -0.501 61.940 62.300 0.234 0.000 0.887 269 V CB 2.079 33.989 31.823 0.145 0.000 0.991 269 V HN 0.790 nan 8.190 nan 0.000 0.434 270 N N 4.147 123.006 118.700 0.264 0.000 2.402 270 N HA 0.107 4.847 4.740 0.000 0.000 0.252 270 N C 0.891 176.416 175.510 0.025 0.000 1.118 270 N CA 0.477 53.611 53.050 0.142 0.000 0.945 270 N CB 1.488 40.049 38.487 0.125 0.000 1.147 270 N HN 0.802 nan 8.380 nan 0.000 0.495 271 T N 2.169 116.725 114.554 0.003 0.000 2.867 271 T HA -0.090 4.260 4.350 0.000 0.000 0.268 271 T C 0.744 175.415 174.700 -0.048 0.000 1.057 271 T CA 0.954 63.062 62.100 0.012 0.000 1.136 271 T CB 0.069 69.037 68.868 0.166 0.000 0.874 271 T HN 0.520 nan 8.240 nan 0.000 0.466 272 D N 1.124 121.472 120.400 -0.085 0.000 2.218 272 D HA -0.072 4.568 4.640 0.000 0.000 0.204 272 D C 2.422 178.678 176.300 -0.073 0.000 0.976 272 D CA 1.246 55.193 54.000 -0.089 0.000 0.853 272 D CB -0.248 40.485 40.800 -0.112 0.000 0.939 272 D HN 0.539 nan 8.370 nan 0.000 0.481 273 S N 0.449 116.113 115.700 -0.060 0.000 2.377 273 S HA -0.065 4.405 4.470 0.000 0.000 0.223 273 S C 2.252 176.811 174.600 -0.068 0.000 1.030 273 S CA 0.106 58.281 58.200 -0.040 0.000 0.970 273 S CB -0.620 62.577 63.200 -0.005 0.000 0.830 273 S HN 0.226 nan 8.310 nan 0.000 0.473 274 L N 2.211 123.359 121.223 -0.125 0.000 2.201 274 L HA -0.338 4.002 4.340 0.000 0.000 0.233 274 L C 2.960 179.721 176.870 -0.182 0.000 1.115 274 L CA 2.207 56.898 54.840 -0.248 0.000 0.840 274 L CB -1.783 39.934 42.059 -0.571 0.000 0.924 274 L HN 0.673 nan 8.230 nan 0.000 0.450 275 S N -1.136 114.476 115.700 -0.147 0.000 2.442 275 S HA -0.122 4.348 4.470 0.000 0.000 0.236 275 S C 1.639 176.269 174.600 0.050 0.000 1.007 275 S CA 1.088 59.293 58.200 0.010 0.000 0.965 275 S CB -0.426 62.775 63.200 0.002 0.000 0.773 275 S HN 0.619 nan 8.310 nan 0.000 0.504 276 S N 0.055 115.769 115.700 0.022 0.000 2.582 276 S HA 0.406 4.876 4.470 0.000 0.000 0.234 276 S C 0.201 174.822 174.600 0.035 0.000 0.961 276 S CA -0.446 57.771 58.200 0.029 0.000 0.953 276 S CB -0.079 63.131 63.200 0.016 0.000 0.800 276 S HN 0.449 nan 8.310 nan 0.000 0.471 277 T N 0.376 114.960 114.554 0.051 0.000 2.754 277 T HA 0.445 4.795 4.350 0.000 0.000 0.296 277 T C 0.892 175.632 174.700 0.066 0.000 1.205 277 T CA -0.168 61.961 62.100 0.048 0.000 1.009 277 T CB 1.411 70.302 68.868 0.038 0.000 1.368 277 T HN 0.189 nan 8.240 nan 0.000 0.509 278 T N -1.899 112.681 114.554 0.044 0.000 3.034 278 T HA 0.279 4.629 4.350 0.000 0.000 0.248 278 T C 0.532 175.251 174.700 0.031 0.000 1.040 278 T CA 0.268 62.390 62.100 0.036 0.000 1.107 278 T CB 0.076 68.953 68.868 0.016 0.000 0.932 278 T HN 0.600 nan 8.240 nan 0.000 0.474 279 T N 1.652 116.220 114.554 0.023 0.000 2.912 279 T HA 0.609 4.959 4.350 0.000 0.000 0.299 279 T C -1.148 173.559 174.700 0.012 0.000 1.052 279 T CA -0.607 61.497 62.100 0.006 0.000 0.996 279 T CB 2.155 71.018 68.868 -0.008 0.000 1.070 279 T HN 0.096 nan 8.240 nan 0.000 0.465 280 T N 2.243 116.798 114.554 0.001 0.000 2.856 280 T HA 0.565 4.915 4.350 0.000 0.000 0.283 280 T C -0.106 174.600 174.700 0.010 0.000 1.008 280 T CA -0.603 61.505 62.100 0.013 0.000 0.997 280 T CB 0.815 69.691 68.868 0.012 0.000 0.992 280 T HN 0.462 nan 8.240 nan 0.000 0.454 281 I N 5.496 126.088 120.570 0.037 0.000 2.287 281 I HA 0.240 4.410 4.170 0.000 0.000 0.290 281 I C -1.586 174.580 176.117 0.081 0.000 1.069 281 I CA -2.017 59.308 61.300 0.042 0.000 1.237 281 I CB 0.955 38.986 38.000 0.052 0.000 1.418 281 I HN 0.371 nan 8.210 nan 0.000 0.481 282 P HA 0.076 nan 4.420 nan 0.000 0.267 282 P C -0.852 176.568 177.300 0.200 0.000 1.200 282 P CA -0.126 63.047 63.100 0.122 0.000 0.772 282 P CB 0.719 32.448 31.700 0.048 0.000 0.855 283 M N 0.788 120.542 119.600 0.257 0.000 2.300 283 M HA 0.441 4.921 4.480 0.000 0.000 0.348 283 M C 0.057 176.498 176.300 0.236 0.000 1.151 283 M CA -0.807 54.661 55.300 0.280 0.000 1.046 283 M CB 1.671 34.502 32.600 0.384 0.000 1.647 283 M HN 0.337 nan 8.290 nan 0.000 0.451 284 Q N 3.055 122.968 119.800 0.188 0.000 2.274 284 Q HA 0.648 4.988 4.340 0.000 0.000 0.260 284 Q C -1.788 174.171 176.000 -0.068 0.000 0.974 284 Q CA -0.626 55.133 55.803 -0.072 0.000 0.876 284 Q CB 1.865 30.505 28.738 -0.165 0.000 1.297 284 Q HN 0.905 nan 8.270 nan 0.000 0.446 285 I N 3.466 123.967 120.570 -0.114 0.000 2.336 285 I HA 0.250 4.420 4.170 0.000 0.000 0.292 285 I C -0.038 176.034 176.117 -0.075 0.000 0.991 285 I CA -0.755 60.534 61.300 -0.019 0.000 1.227 285 I CB 1.803 39.836 38.000 0.055 0.000 1.366 285 I HN 0.724 nan 8.210 nan 0.000 0.466 286 T N 3.263 117.750 114.554 -0.111 0.000 2.799 286 T HA 0.666 5.016 4.350 0.000 0.000 0.286 286 T C 0.292 174.770 174.700 -0.369 0.000 0.973 286 T CA -0.849 61.129 62.100 -0.204 0.000 1.035 286 T CB 1.601 70.370 68.868 -0.166 0.000 0.932 286 T HN 0.641 nan 8.240 nan 0.000 0.469 287 A N 4.776 127.175 122.820 -0.703 0.000 2.521 287 A HA 0.449 4.769 4.320 0.000 0.000 0.237 287 A C -1.780 175.331 177.584 -0.789 0.000 1.087 287 A CA -1.143 50.071 52.037 -1.371 0.000 0.777 287 A CB -0.788 17.019 19.000 -1.988 0.000 1.035 287 A HN 0.802 nan 8.150 nan 0.000 0.510 288 P HA 0.207 nan 4.420 nan 0.000 0.271 288 P C 0.709 177.817 177.300 -0.319 0.000 1.220 288 P CA 0.584 63.458 63.100 -0.377 0.000 0.768 288 P CB 1.085 32.642 31.700 -0.239 0.000 0.848 289 A N 4.223 126.907 122.820 -0.226 0.000 1.954 289 A HA -0.240 4.080 4.320 0.000 0.000 0.222 289 A C 1.769 179.241 177.584 -0.187 0.000 1.199 289 A CA 2.472 54.393 52.037 -0.193 0.000 0.657 289 A CB -1.772 17.148 19.000 -0.132 0.000 0.823 289 A HN 0.666 nan 8.150 nan 0.000 0.463 290 S N -1.446 114.171 115.700 -0.138 0.000 3.009 290 S HA 0.325 4.795 4.470 0.000 0.000 0.243 290 S C 0.602 175.094 174.600 -0.179 0.000 1.012 290 S CA 0.570 58.688 58.200 -0.137 0.000 1.113 290 S CB 0.138 63.331 63.200 -0.011 0.000 0.827 290 S HN 0.430 nan 8.310 nan 0.000 0.495 291 V N -0.771 119.000 119.914 -0.238 0.000 3.093 291 V HA 0.007 4.127 4.120 0.000 0.000 0.251 291 V C 1.405 177.203 176.094 -0.494 0.000 1.719 291 V CA 0.622 62.755 62.300 -0.277 0.000 1.026 291 V CB -0.104 31.585 31.823 -0.223 0.000 0.926 291 V HN 0.487 nan 8.190 nan 0.000 0.396 292 T N 0.699 114.959 114.554 -0.490 0.000 3.284 292 T HA -0.036 4.314 4.350 0.000 0.000 0.252 292 T C 1.530 176.075 174.700 -0.258 0.000 1.144 292 T CA 1.408 63.224 62.100 -0.473 0.000 1.021 292 T CB -0.163 68.491 68.868 -0.356 0.000 0.984 292 T HN 0.503 nan 8.240 nan 0.000 0.545 293 T N 0.399 114.826 114.554 -0.210 0.000 3.035 293 T HA 0.331 4.681 4.350 0.000 0.000 0.259 293 T C 1.160 175.811 174.700 -0.081 0.000 1.078 293 T CA 0.425 62.448 62.100 -0.129 0.000 1.132 293 T CB 0.247 69.040 68.868 -0.124 0.000 0.900 293 T HN 0.535 nan 8.240 nan 0.000 0.480 294 G N 0.246 109.007 108.800 -0.066 0.000 2.721 294 G HA2 0.484 4.444 3.960 0.000 0.000 0.296 294 G HA3 0.484 4.444 3.960 0.000 0.000 0.296 294 G C -1.925 173.030 174.900 0.091 0.000 1.383 294 G CA -0.850 44.248 45.100 -0.004 0.000 0.788 294 G HN -0.023 nan 8.290 nan 0.000 0.500 295 D N 1.025 121.463 120.400 0.064 0.000 2.474 295 D HA 0.287 4.927 4.640 0.000 0.000 0.232 295 D C 0.373 176.720 176.300 0.077 0.000 1.177 295 D CA 1.118 55.136 54.000 0.029 0.000 0.876 295 D CB 0.295 41.038 40.800 -0.095 0.000 1.208 295 D HN 0.620 nan 8.370 nan 0.000 0.464 296 H N -1.710 117.212 119.070 -0.246 0.000 2.887 296 H HA 0.385 4.941 4.556 0.000 0.000 0.290 296 H C -1.480 173.706 175.328 -0.236 0.000 1.429 296 H CA -0.785 55.152 56.048 -0.186 0.000 1.137 296 H CB 0.153 29.925 29.762 0.018 0.000 1.824 296 H HN 0.398 nan 8.280 nan 0.000 0.520 297 Y N -0.409 120.028 120.300 0.227 0.000 2.665 297 Y HA 0.489 5.039 4.550 0.000 0.000 0.336 297 Y C -0.500 175.588 175.900 0.312 0.000 1.085 297 Y CA -1.258 56.969 58.100 0.211 0.000 1.096 297 Y CB 1.761 40.212 38.460 -0.016 0.000 1.301 297 Y HN 0.435 nan 8.280 nan 0.000 0.493 298 L N 1.131 122.626 121.223 0.454 0.000 2.283 298 L HA 0.434 4.774 4.340 0.000 0.000 0.281 298 L C -0.071 176.731 176.870 -0.114 0.000 1.033 298 L CA -0.136 54.708 54.840 0.006 0.000 0.848 298 L CB 0.179 42.295 42.059 0.095 0.000 1.226 298 L HN 0.959 nan 8.230 nan 0.000 0.429 299 C N 2.485 121.644 119.300 -0.234 0.000 2.455 299 C HA 0.013 4.473 4.460 0.000 0.000 0.281 299 C C 0.929 175.770 174.990 -0.248 0.000 1.237 299 C CA 0.844 59.701 59.018 -0.269 0.000 1.726 299 C CB -0.477 27.154 27.740 -0.182 0.000 2.068 299 C HN 0.925 nan 8.230 nan 0.000 0.466 300 D N -1.655 118.617 120.400 -0.213 0.000 2.609 300 D HA 0.383 5.023 4.640 0.000 0.000 0.239 300 D C -1.862 174.207 176.300 -0.384 0.000 1.229 300 D CA -0.114 53.836 54.000 -0.083 0.000 0.808 300 D CB 1.923 42.676 40.800 -0.079 0.000 1.448 300 D HN 0.108 nan 8.370 nan 0.000 0.433 301 V N 0.631 120.240 119.914 -0.508 0.000 2.540 301 V HA 0.821 4.941 4.120 0.000 0.000 0.302 301 V C -0.358 175.330 176.094 -0.676 0.000 1.035 301 V CA -0.466 61.254 62.300 -0.966 0.000 0.873 301 V CB 1.209 31.805 31.823 -2.045 0.000 0.992 301 V HN 0.795 nan 8.190 nan 0.000 0.428 302 A N 4.048 126.520 122.820 -0.580 0.000 2.466 302 A HA 0.634 4.954 4.320 0.000 0.000 0.284 302 A C -1.477 175.932 177.584 -0.293 0.000 1.049 302 A CA -0.571 51.286 52.037 -0.299 0.000 0.760 302 A CB 0.635 19.525 19.000 -0.184 0.000 1.274 302 A HN 0.766 nan 8.150 nan 0.000 0.412 303 W N 2.782 124.018 121.300 -0.107 0.000 2.266 303 W HA 0.389 5.049 4.660 0.000 0.000 0.317 303 W C 1.010 177.465 176.519 -0.107 0.000 1.310 303 W CA 0.156 57.457 57.345 -0.073 0.000 1.207 303 W CB 1.254 30.747 29.460 0.056 0.000 1.199 303 W HN 0.501 nan 8.180 nan 0.000 0.544 304 V N 2.182 122.122 119.914 0.044 0.000 2.398 304 V HA 0.014 4.134 4.120 0.000 0.000 0.236 304 V C 0.904 177.052 176.094 0.090 0.000 1.054 304 V CA 1.325 63.533 62.300 -0.153 0.000 1.060 304 V CB -0.202 31.267 31.823 -0.591 0.000 0.707 304 V HN 0.576 nan 8.190 nan 0.000 0.480 305 S N -1.470 114.328 115.700 0.164 0.000 2.740 305 S HA 0.374 4.844 4.470 0.000 0.000 0.300 305 S C 0.420 175.202 174.600 0.302 0.000 1.147 305 S CA -0.335 57.982 58.200 0.194 0.000 0.871 305 S CB 1.895 65.188 63.200 0.155 0.000 1.173 305 S HN 0.307 nan 8.310 nan 0.000 0.510 306 E N -0.416 119.928 120.200 0.240 0.000 2.516 306 E HA -0.046 4.304 4.350 0.000 0.000 0.199 306 E C -0.252 176.637 176.600 0.482 0.000 1.069 306 E CA 0.673 57.246 56.400 0.288 0.000 0.876 306 E CB -0.016 29.783 29.700 0.165 0.000 0.843 306 E HN 0.554 nan 8.360 nan 0.000 0.530 307 D N -0.122 120.513 120.400 0.392 0.000 2.535 307 D HA 0.099 4.739 4.640 0.000 0.000 0.229 307 D C -0.194 176.313 176.300 0.345 0.000 1.238 307 D CA 0.009 54.205 54.000 0.326 0.000 0.824 307 D CB 0.620 41.551 40.800 0.220 0.000 1.045 307 D HN -0.028 nan 8.370 nan 0.000 0.500 308 R N 0.986 121.748 120.500 0.438 0.000 2.564 308 R HA 0.612 4.952 4.340 0.000 0.000 0.284 308 R C -1.913 174.485 176.300 0.162 0.000 1.031 308 R CA -0.554 55.709 56.100 0.272 0.000 0.904 308 R CB 1.973 32.326 30.300 0.089 0.000 1.199 308 R HN -0.025 nan 8.270 nan 0.000 0.443 309 I N 1.875 122.386 120.570 -0.098 0.000 2.769 309 I HA 0.412 4.582 4.170 0.000 0.000 0.298 309 I C -1.392 174.446 176.117 -0.464 0.000 1.128 309 I CA -0.500 60.496 61.300 -0.506 0.000 1.031 309 I CB 2.473 39.784 38.000 -1.148 0.000 1.235 309 I HN 0.680 nan 8.210 nan 0.000 0.423 310 S N 7.516 122.899 115.700 -0.530 0.000 2.530 310 S HA 0.670 5.140 4.470 0.000 0.000 0.322 310 S C -1.160 173.130 174.600 -0.517 0.000 1.085 310 S CA -0.608 57.336 58.200 -0.426 0.000 1.096 310 S CB 0.531 63.534 63.200 -0.329 0.000 0.988 310 S HN 0.499 nan 8.310 nan 0.000 0.466 311 L N 4.274 125.205 121.223 -0.486 0.000 2.334 311 L HA 0.600 4.940 4.340 0.000 0.000 0.276 311 L C 0.017 176.580 176.870 -0.512 0.000 1.014 311 L CA -0.709 53.732 54.840 -0.664 0.000 0.815 311 L CB 1.858 43.452 42.059 -0.776 0.000 1.268 311 L HN 0.556 nan 8.230 nan 0.000 0.428 312 Q N 1.899 121.314 119.800 -0.642 0.000 2.331 312 Q HA 0.391 4.731 4.340 0.000 0.000 0.267 312 Q C -1.694 173.991 176.000 -0.525 0.000 1.006 312 Q CA -0.552 55.011 55.803 -0.401 0.000 0.818 312 Q CB 2.554 31.131 28.738 -0.268 0.000 1.276 312 Q HN 0.467 nan 8.270 nan 0.000 0.450 313 W N 2.128 123.401 121.300 -0.045 0.000 2.706 313 W HA 0.629 5.289 4.660 0.000 0.000 0.346 313 W C -0.745 175.830 176.519 0.094 0.000 1.071 313 W CA -0.610 56.762 57.345 0.045 0.000 1.206 313 W CB 1.034 30.528 29.460 0.056 0.000 1.413 313 W HN 0.357 nan 8.180 nan 0.000 0.542 314 L N 2.047 123.523 121.223 0.421 0.000 2.431 314 L HA 0.542 4.882 4.340 0.000 0.000 0.266 314 L C -0.153 176.962 176.870 0.409 0.000 0.978 314 L CA -1.268 53.780 54.840 0.346 0.000 0.822 314 L CB 1.649 43.856 42.059 0.248 0.000 1.310 314 L HN 0.398 nan 8.230 nan 0.000 0.409 315 R N 1.875 122.577 120.500 0.336 0.000 2.615 315 R HA 0.290 4.630 4.340 0.000 0.000 0.270 315 R C 0.961 177.410 176.300 0.248 0.000 1.081 315 R CA -0.358 55.891 56.100 0.247 0.000 1.154 315 R CB 0.711 31.111 30.300 0.167 0.000 1.063 315 R HN 0.595 nan 8.270 nan 0.000 0.519 316 R N 1.113 121.686 120.500 0.121 0.000 2.127 316 R HA -0.072 4.268 4.340 0.000 0.000 0.238 316 R C 0.317 176.730 176.300 0.189 0.000 1.134 316 R CA 1.205 57.384 56.100 0.132 0.000 0.975 316 R CB 0.192 30.481 30.300 -0.019 0.000 0.865 316 R HN 0.352 nan 8.270 nan 0.000 0.447 317 I N 2.623 123.266 120.570 0.122 0.000 2.287 317 I HA 0.048 4.218 4.170 0.000 0.000 0.290 317 I C 0.076 176.264 176.117 0.118 0.000 1.069 317 I CA 0.044 61.398 61.300 0.089 0.000 1.237 317 I CB 1.157 39.195 38.000 0.064 0.000 1.418 317 I HN 0.238 nan 8.210 nan 0.000 0.481 318 Q N 3.664 123.520 119.800 0.094 0.000 2.294 318 Q HA -0.063 4.277 4.340 0.000 0.000 0.207 318 Q C 1.319 177.402 176.000 0.138 0.000 0.887 318 Q CA 0.146 56.016 55.803 0.111 0.000 0.987 318 Q CB -0.494 28.263 28.738 0.032 0.000 1.101 318 Q HN 0.585 nan 8.270 nan 0.000 0.447 319 N N -0.276 118.510 118.700 0.145 0.000 2.333 319 N HA -0.098 4.642 4.740 0.000 0.000 0.178 319 N C -0.415 175.214 175.510 0.199 0.000 1.018 319 N CA 0.213 53.349 53.050 0.142 0.000 0.882 319 N CB 0.386 38.945 38.487 0.120 0.000 0.984 319 N HN 0.289 nan 8.380 nan 0.000 0.434 320 Y N -0.091 120.246 120.300 0.061 0.000 2.512 320 Y HA 0.491 5.041 4.550 0.000 0.000 0.348 320 Y C -1.176 174.770 175.900 0.077 0.000 0.990 320 Y CA -0.826 57.310 58.100 0.060 0.000 1.033 320 Y CB 1.949 40.438 38.460 0.048 0.000 1.259 320 Y HN -0.178 nan 8.280 nan 0.000 0.461 321 S N 3.826 119.396 115.700 -0.216 0.000 2.533 321 S HA 0.791 5.261 4.470 0.000 0.000 0.271 321 S C -2.394 172.070 174.600 -0.227 0.000 1.143 321 S CA -0.532 57.630 58.200 -0.063 0.000 0.891 321 S CB 1.298 64.488 63.200 -0.017 0.000 1.105 321 S HN 0.553 nan 8.310 nan 0.000 0.468 322 V N 4.955 124.884 119.914 0.025 0.000 2.656 322 V HA 0.599 4.719 4.120 0.000 0.000 0.307 322 V C -0.354 175.810 176.094 0.117 0.000 1.051 322 V CA -0.651 61.677 62.300 0.045 0.000 0.893 322 V CB 1.905 33.812 31.823 0.139 0.000 0.999 322 V HN 0.942 nan 8.190 nan 0.000 0.426 323 M N 4.900 124.531 119.600 0.052 0.000 2.027 323 M HA 0.725 5.205 4.480 0.000 0.000 0.329 323 M C -0.249 176.086 176.300 0.058 0.000 0.971 323 M CA -0.445 54.855 55.300 0.001 0.000 0.933 323 M CB 0.832 33.351 32.600 -0.136 0.000 1.392 323 M HN 0.784 nan 8.290 nan 0.000 0.394 324 A N 5.475 128.351 122.820 0.093 0.000 2.302 324 A HA 0.742 5.062 4.320 0.000 0.000 0.285 324 A C -0.591 177.002 177.584 0.014 0.000 1.105 324 A CA -0.605 51.477 52.037 0.075 0.000 0.816 324 A CB 0.577 19.627 19.000 0.083 0.000 1.067 324 A HN 0.911 nan 8.150 nan 0.000 0.489 325 I N 0.834 121.434 120.570 0.050 0.000 2.404 325 I HA 0.332 4.502 4.170 0.000 0.000 0.293 325 I C -0.801 175.332 176.117 0.026 0.000 0.992 325 I CA -0.349 60.962 61.300 0.018 0.000 1.149 325 I CB 1.608 39.680 38.000 0.121 0.000 1.315 325 I HN 0.531 nan 8.210 nan 0.000 0.446 326 c N 4.041 122.646 118.600 0.007 0.000 2.455 326 c HA 0.494 5.064 4.570 0.000 0.000 0.320 326 c C -0.429 173.797 174.090 0.227 0.000 1.226 326 c CA -0.834 55.559 56.329 0.108 0.000 1.569 326 c CB 1.480 44.054 42.510 0.106 0.000 2.200 326 c HN 0.624 nan 8.230 nan 0.000 0.491 327 D N 0.434 120.956 120.400 0.203 0.000 2.198 327 D HA 0.257 4.897 4.640 0.000 0.000 0.247 327 D C -0.983 175.289 176.300 -0.046 0.000 1.010 327 D CA -0.176 53.903 54.000 0.133 0.000 0.880 327 D CB 1.803 42.633 40.800 0.050 0.000 1.209 327 D HN 0.602 nan 8.370 nan 0.000 0.451 328 Y N 1.395 121.368 120.300 -0.546 0.000 2.316 328 Y HA 0.122 4.672 4.550 0.000 0.000 0.331 328 Y C -0.090 175.523 175.900 -0.478 0.000 1.083 328 Y CA -0.342 57.109 58.100 -1.081 0.000 1.206 328 Y CB 0.834 38.459 38.460 -1.392 0.000 1.195 328 Y HN 0.139 nan 8.280 nan 0.000 0.497 329 D N 6.037 125.832 120.400 -1.008 0.000 2.412 329 D HA 0.142 4.782 4.640 0.000 0.000 0.224 329 D C 0.253 176.001 176.300 -0.921 0.000 1.093 329 D CA -0.158 53.435 54.000 -0.679 0.000 0.850 329 D CB 1.052 41.603 40.800 -0.415 0.000 1.046 329 D HN 0.773 nan 8.370 nan 0.000 0.507 330 K N 1.499 121.555 120.400 -0.573 0.000 2.032 330 K HA -0.119 4.201 4.320 0.000 0.000 0.209 330 K C 1.788 178.256 176.600 -0.219 0.000 1.048 330 K CA 1.300 57.392 56.287 -0.325 0.000 0.927 330 K CB 0.052 32.507 32.500 -0.076 0.000 0.712 330 K HN 0.329 nan 8.250 nan 0.000 0.441 331 T N 0.554 115.000 114.554 -0.181 0.000 2.737 331 T HA -0.084 4.266 4.350 0.000 0.000 0.265 331 T C 1.667 176.302 174.700 -0.108 0.000 1.038 331 T CA 1.682 63.715 62.100 -0.112 0.000 1.144 331 T CB -0.107 68.710 68.868 -0.086 0.000 0.866 331 T HN 0.269 nan 8.240 nan 0.000 0.434 332 T N 1.587 116.052 114.554 -0.148 0.000 3.086 332 T HA 0.358 4.708 4.350 0.000 0.000 0.250 332 T C 0.585 175.220 174.700 -0.108 0.000 1.074 332 T CA -0.202 61.836 62.100 -0.103 0.000 0.988 332 T CB -0.280 68.536 68.868 -0.087 0.000 0.988 332 T HN 0.335 nan 8.240 nan 0.000 0.530 333 L N 1.174 122.274 121.223 -0.204 0.000 3.823 333 L HA -0.148 4.192 4.340 0.000 0.000 0.525 333 L C -0.713 176.131 176.870 -0.043 0.000 1.247 333 L CA -0.248 54.509 54.840 -0.139 0.000 0.776 333 L CB -1.879 40.226 42.059 0.077 0.000 1.443 333 L HN 0.125 nan 8.230 nan 0.000 0.831 334 V N -1.306 118.473 119.914 -0.224 0.000 3.087 334 V HA 0.508 4.628 4.120 0.000 0.000 0.306 334 V C -0.677 175.323 176.094 -0.157 0.000 1.187 334 V CA -0.806 61.475 62.300 -0.032 0.000 0.999 334 V CB 2.301 34.117 31.823 -0.011 0.000 1.049 334 V HN 0.279 nan 8.190 nan 0.000 0.431 335 W N 2.310 123.641 121.300 0.053 0.000 2.433 335 W HA 0.590 5.250 4.660 0.000 0.000 0.315 335 W C 0.147 176.663 176.519 -0.004 0.000 1.087 335 W CA -0.316 57.054 57.345 0.043 0.000 1.205 335 W CB 0.886 30.371 29.460 0.042 0.000 1.288 335 W HN 0.405 nan 8.180 nan 0.000 0.504 336 N N 2.138 120.926 118.700 0.147 0.000 2.405 336 N HA 0.409 5.149 4.740 0.000 0.000 0.299 336 N C -1.217 174.346 175.510 0.089 0.000 1.075 336 N CA -0.475 52.622 53.050 0.078 0.000 0.884 336 N CB 1.845 40.341 38.487 0.015 0.000 1.194 336 N HN 0.301 nan 8.380 nan 0.000 0.491 337 c N 2.169 120.799 118.600 0.049 0.000 3.276 337 c HA 0.250 4.820 4.570 0.000 0.000 0.226 337 c C -2.099 171.995 174.090 0.007 0.000 1.502 337 c CA -1.390 54.958 56.329 0.032 0.000 1.488 337 c CB -0.564 41.953 42.510 0.012 0.000 2.014 337 c HN 0.534 nan 8.230 nan 0.000 0.492 338 P HA -0.015 nan 4.420 nan 0.000 0.260 338 P C 1.139 178.432 177.300 -0.012 0.000 1.172 338 P CA 1.015 64.113 63.100 -0.003 0.000 0.760 338 P CB 0.621 32.324 31.700 0.005 0.000 0.773 339 T N -0.027 114.514 114.554 -0.023 0.000 2.869 339 T HA -0.171 4.179 4.350 0.000 0.000 0.270 339 T C 1.425 176.101 174.700 -0.040 0.000 1.082 339 T CA 1.872 63.954 62.100 -0.030 0.000 1.123 339 T CB -1.371 67.480 68.868 -0.029 0.000 0.856 339 T HN 0.426 nan 8.240 nan 0.000 0.499 340 T N 2.098 116.632 114.554 -0.033 0.000 2.929 340 T HA -0.065 4.285 4.350 0.000 0.000 0.271 340 T C 1.390 176.045 174.700 -0.075 0.000 1.085 340 T CA 0.946 63.021 62.100 -0.042 0.000 1.125 340 T CB -0.252 68.605 68.868 -0.018 0.000 0.874 340 T HN 0.625 nan 8.240 nan 0.000 0.494 341 Q N -0.073 119.694 119.800 -0.054 0.000 2.206 341 Q HA 0.301 4.641 4.340 0.000 0.000 0.265 341 Q C 1.089 177.051 176.000 -0.063 0.000 0.866 341 Q CA -0.241 55.531 55.803 -0.051 0.000 1.073 341 Q CB 0.627 29.409 28.738 0.074 0.000 1.165 341 Q HN 0.305 nan 8.270 nan 0.000 0.465 342 E N 0.664 120.789 120.200 -0.125 0.000 2.006 342 E HA -0.108 4.242 4.350 0.000 0.000 0.192 342 E C -0.510 176.101 176.600 0.019 0.000 0.993 342 E CA 0.978 57.352 56.400 -0.043 0.000 0.808 342 E CB 0.270 29.951 29.700 -0.033 0.000 0.764 342 E HN 0.274 nan 8.360 nan 0.000 0.449 343 H N -0.912 118.183 119.070 0.042 0.000 3.665 343 H HA -0.143 4.413 4.556 0.000 0.000 0.316 343 H C -0.843 174.464 175.328 -0.035 0.000 0.870 343 H CA 0.806 56.871 56.048 0.029 0.000 0.947 343 H CB -1.660 28.113 29.762 0.017 0.000 1.453 343 H HN 0.171 nan 8.280 nan 0.000 0.339 344 I N 2.716 123.324 120.570 0.064 0.000 2.412 344 I HA 0.244 4.414 4.170 0.000 0.000 0.296 344 I C 0.685 176.749 176.117 -0.088 0.000 0.987 344 I CA -0.201 61.041 61.300 -0.097 0.000 1.180 344 I CB 1.946 39.860 38.000 -0.143 0.000 1.340 344 I HN 0.412 nan 8.210 nan 0.000 0.455 345 E N 4.085 124.174 120.200 -0.185 0.000 2.187 345 E HA 0.569 4.919 4.350 0.000 0.000 0.268 345 E C -1.261 175.244 176.600 -0.158 0.000 0.896 345 E CA -0.350 55.987 56.400 -0.106 0.000 0.766 345 E CB 1.956 31.613 29.700 -0.072 0.000 1.142 345 E HN 0.555 nan 8.360 nan 0.000 0.408 346 T N 1.417 115.930 114.554 -0.067 0.000 2.841 346 T HA 0.494 4.844 4.350 0.000 0.000 0.296 346 T C -1.683 173.021 174.700 0.007 0.000 1.166 346 T CA -0.593 61.490 62.100 -0.028 0.000 1.007 346 T CB 1.704 70.574 68.868 0.003 0.000 1.253 346 T HN 0.279 nan 8.240 nan 0.000 0.511 347 S N 0.527 116.245 115.700 0.031 0.000 2.750 347 S HA 0.585 5.055 4.470 0.000 0.000 0.276 347 S C 0.496 175.120 174.600 0.040 0.000 1.165 347 S CA 0.012 58.227 58.200 0.025 0.000 1.047 347 S CB 0.619 63.828 63.200 0.014 0.000 1.056 347 S HN 0.864 nan 8.310 nan 0.000 0.481 348 A N 3.481 126.320 122.820 0.033 0.000 2.208 348 A HA 0.175 4.495 4.320 0.000 0.000 0.209 348 A C 1.641 179.251 177.584 0.043 0.000 1.161 348 A CA 1.289 53.348 52.037 0.037 0.000 0.782 348 A CB -0.492 18.523 19.000 0.026 0.000 0.816 348 A HN 0.754 nan 8.150 nan 0.000 0.477 349 T N -1.723 112.868 114.554 0.063 0.000 3.010 349 T HA 0.375 4.725 4.350 0.000 0.000 0.252 349 T C 1.395 176.149 174.700 0.089 0.000 1.047 349 T CA 1.142 63.310 62.100 0.113 0.000 1.140 349 T CB 0.290 69.259 68.868 0.169 0.000 0.885 349 T HN 0.566 nan 8.240 nan 0.000 0.464 350 G N 0.218 108.987 108.800 -0.052 0.000 3.364 350 G HA2 0.441 4.401 3.960 0.000 0.000 0.137 350 G HA3 0.441 4.401 3.960 0.000 0.000 0.137 350 G C -1.456 173.401 174.900 -0.070 0.000 1.298 350 G CA -0.189 44.753 45.100 -0.262 0.000 1.341 350 G HN 0.509 nan 8.290 nan 0.000 0.718 351 W N -0.468 120.556 121.300 -0.459 0.000 3.032 351 W HA 0.729 5.389 4.660 0.000 0.000 0.341 351 W C -0.885 175.583 176.519 -0.085 0.000 1.202 351 W CA -1.496 55.718 57.345 -0.218 0.000 1.132 351 W CB 0.694 29.989 29.460 -0.275 0.000 1.465 351 W HN 0.362 nan 8.180 nan 0.000 0.576 352 C N 3.496 122.867 119.300 0.118 0.000 2.499 352 C HA 0.745 5.205 4.460 0.000 0.000 0.386 352 C C 1.170 176.197 174.990 0.061 0.000 1.293 352 C CA 1.246 60.284 59.018 0.033 0.000 1.884 352 C CB -0.650 27.117 27.740 0.045 0.000 2.509 352 C HN 1.252 nan 8.230 nan 0.000 0.566 353 G N 4.369 113.148 108.800 -0.035 0.000 2.855 353 G HA2 -0.186 3.774 3.960 0.000 0.000 0.352 353 G HA3 -0.186 3.774 3.960 0.000 0.000 0.352 353 G C 0.559 175.455 174.900 -0.005 0.000 1.415 353 G CA -0.216 44.879 45.100 -0.008 0.000 0.871 353 G HN 0.741 nan 8.290 nan 0.000 0.543 354 R N -0.857 119.634 120.500 -0.015 0.000 2.055 354 R HA 0.100 4.440 4.340 0.000 0.000 0.228 354 R C 1.953 178.113 176.300 -0.234 0.000 1.143 354 R CA 2.152 58.153 56.100 -0.164 0.000 0.945 354 R CB -0.124 30.086 30.300 -0.150 0.000 0.841 354 R HN 0.514 nan 8.270 nan 0.000 0.429 355 F N -0.465 119.622 119.950 0.227 0.000 2.856 355 F HA 0.290 4.817 4.527 0.000 0.000 0.338 355 F C 0.192 176.029 175.800 0.062 0.000 1.100 355 F CA -0.584 57.522 58.000 0.176 0.000 1.150 355 F CB 0.903 39.998 39.000 0.159 0.000 1.101 355 F HN -0.056 nan 8.300 nan 0.000 0.548 356 R N -0.923 119.695 120.500 0.196 0.000 3.570 356 R HA 0.177 4.517 4.340 0.000 0.000 0.270 356 R C -3.523 172.813 176.300 0.059 0.000 0.980 356 R CA -1.389 54.756 56.100 0.074 0.000 0.944 356 R CB -0.600 29.698 30.300 -0.004 0.000 1.278 356 R HN -0.282 nan 8.270 nan 0.000 0.549 357 P HA -0.019 nan 4.420 nan 0.000 0.263 357 P C -0.333 176.970 177.300 0.006 0.000 1.168 357 P CA 0.728 63.826 63.100 -0.003 0.000 0.759 357 P CB 0.434 32.110 31.700 -0.041 0.000 0.782 358 A N 2.757 125.589 122.820 0.021 0.000 2.386 358 A HA 0.106 4.426 4.320 0.000 0.000 0.248 358 A C 0.430 178.018 177.584 0.007 0.000 1.082 358 A CA -0.295 51.772 52.037 0.050 0.000 0.789 358 A CB -0.093 18.956 19.000 0.082 0.000 1.025 358 A HN 0.585 nan 8.150 nan 0.000 0.490 359 E N 1.672 121.887 120.200 0.026 0.000 2.360 359 E HA 0.247 4.597 4.350 0.000 0.000 0.269 359 E C -2.137 174.393 176.600 -0.116 0.000 1.022 359 E CA -1.604 54.758 56.400 -0.062 0.000 0.887 359 E CB 0.619 30.288 29.700 -0.051 0.000 0.990 359 E HN 0.477 nan 8.360 nan 0.000 0.426 360 P HA 0.143 nan 4.420 nan 0.000 0.281 360 P C -1.184 175.961 177.300 -0.259 0.000 1.249 360 P CA -0.174 62.781 63.100 -0.242 0.000 0.810 360 P CB 0.929 32.294 31.700 -0.558 0.000 1.008 361 H N 1.829 120.937 119.070 0.064 0.000 2.762 361 H HA 0.317 4.873 4.556 0.000 0.000 0.310 361 H C -0.373 175.078 175.328 0.205 0.000 1.004 361 H CA -0.251 55.910 56.048 0.189 0.000 1.267 361 H CB 0.400 30.276 29.762 0.189 0.000 1.437 361 H HN 0.300 nan 8.280 nan 0.000 0.498 362 F N 1.487 121.608 119.950 0.286 0.000 2.378 362 F HA 0.144 4.671 4.527 0.000 0.000 0.325 362 F C 1.548 177.523 175.800 0.292 0.000 1.097 362 F CA -0.465 57.719 58.000 0.307 0.000 1.079 362 F CB 1.173 40.292 39.000 0.199 0.000 1.240 362 F HN 0.351 nan 8.300 nan 0.000 0.519 363 T N -1.766 113.071 114.554 0.472 0.000 2.816 363 T HA 0.170 4.520 4.350 0.000 0.000 0.282 363 T C 1.165 176.044 174.700 0.298 0.000 0.993 363 T CA -0.539 61.766 62.100 0.342 0.000 0.994 363 T CB 1.134 70.181 68.868 0.299 0.000 1.025 363 T HN 0.504 nan 8.240 nan 0.000 0.529 364 S N 1.359 117.190 115.700 0.219 0.000 2.359 364 S HA -0.157 4.313 4.470 0.000 0.000 0.222 364 S C 1.758 176.464 174.600 0.177 0.000 1.038 364 S CA 1.689 59.997 58.200 0.179 0.000 1.051 364 S CB -0.652 62.629 63.200 0.135 0.000 0.944 364 S HN 0.988 nan 8.310 nan 0.000 0.433 365 D N 0.741 121.243 120.400 0.169 0.000 2.378 365 D HA 0.066 4.706 4.640 0.000 0.000 0.227 365 D C 1.202 177.619 176.300 0.194 0.000 1.012 365 D CA 0.804 54.897 54.000 0.156 0.000 0.905 365 D CB -0.984 39.894 40.800 0.130 0.000 0.895 365 D HN 0.459 nan 8.370 nan 0.000 0.532 366 G N 0.988 109.946 108.800 0.263 0.000 2.269 366 G HA2 -0.413 3.547 3.960 0.000 0.000 0.277 366 G HA3 -0.413 3.547 3.960 0.000 0.000 0.277 366 G C 1.143 176.285 174.900 0.404 0.000 1.008 366 G CA 1.252 46.577 45.100 0.375 0.000 0.774 366 G HN 0.603 nan 8.290 nan 0.000 0.511 367 S N -1.780 114.097 115.700 0.294 0.000 2.387 367 S HA 0.362 4.832 4.470 0.000 0.000 0.226 367 S C 1.154 175.886 174.600 0.220 0.000 1.026 367 S CA 1.362 59.698 58.200 0.227 0.000 0.972 367 S CB 0.276 63.565 63.200 0.148 0.000 0.814 367 S HN 0.766 nan 8.310 nan 0.000 0.477 368 S N 0.525 116.340 115.700 0.192 0.000 2.667 368 S HA 0.819 5.290 4.470 0.000 0.000 0.292 368 S C -1.077 173.519 174.600 -0.007 0.000 1.126 368 S CA -0.853 57.343 58.200 -0.007 0.000 0.881 368 S CB 1.704 64.825 63.200 -0.132 0.000 1.132 368 S HN 0.597 nan 8.310 nan 0.000 0.492 369 F N -0.812 118.928 119.950 -0.349 0.000 2.654 369 F HA 0.774 5.301 4.527 0.000 0.000 0.308 369 F C -2.150 173.465 175.800 -0.309 0.000 1.108 369 F CA -1.370 56.353 58.000 -0.462 0.000 0.957 369 F CB 0.537 38.700 39.000 -1.396 0.000 1.309 369 F HN 0.440 nan 8.300 nan 0.000 0.446 370 Y N 1.589 121.971 120.300 0.136 0.000 2.409 370 Y HA 0.703 5.253 4.550 0.000 0.000 0.339 370 Y C -0.115 175.931 175.900 0.245 0.000 1.033 370 Y CA -1.077 57.099 58.100 0.127 0.000 1.094 370 Y CB 1.960 40.451 38.460 0.051 0.000 1.210 370 Y HN 0.781 nan 8.280 nan 0.000 0.456 371 K N 2.775 123.389 120.400 0.357 0.000 2.527 371 K HA 0.549 4.869 4.320 0.000 0.000 0.260 371 K C -1.664 175.044 176.600 0.179 0.000 0.937 371 K CA -0.629 55.819 56.287 0.268 0.000 0.826 371 K CB 1.727 34.334 32.500 0.178 0.000 1.359 371 K HN 0.743 nan 8.250 nan 0.000 0.434 372 I N 4.649 125.300 120.570 0.135 0.000 2.379 372 I HA 0.174 4.344 4.170 0.000 0.000 0.290 372 I C -0.090 176.074 176.117 0.079 0.000 1.063 372 I CA -0.449 60.905 61.300 0.090 0.000 1.351 372 I CB 0.965 39.018 38.000 0.090 0.000 1.410 372 I HN 0.370 nan 8.210 nan 0.000 0.505 373 V N 1.935 121.900 119.914 0.084 0.000 3.114 373 V HA 0.524 4.644 4.120 0.000 0.000 0.308 373 V C -0.121 176.058 176.094 0.142 0.000 1.168 373 V CA -0.783 61.572 62.300 0.092 0.000 1.015 373 V CB 1.811 33.704 31.823 0.117 0.000 1.050 373 V HN 0.582 nan 8.190 nan 0.000 0.433 374 S N 2.737 118.464 115.700 0.045 0.000 2.533 374 S HA 0.315 4.785 4.470 0.000 0.000 0.282 374 S C -0.135 174.498 174.600 0.055 0.000 1.304 374 S CA 0.013 58.187 58.200 -0.043 0.000 1.063 374 S CB 0.262 63.363 63.200 -0.165 0.000 0.881 374 S HN 1.109 nan 8.310 nan 0.000 0.493 375 D N 1.884 122.199 120.400 -0.142 0.000 2.478 375 D HA 0.174 4.814 4.640 0.000 0.000 0.274 375 D C 1.006 177.134 176.300 -0.287 0.000 1.234 375 D CA -0.739 52.987 54.000 -0.457 0.000 1.069 375 D CB 0.274 40.477 40.800 -0.995 0.000 1.113 375 D HN 0.383 nan 8.370 nan 0.000 0.571 376 K N -1.127 119.079 120.400 -0.323 0.000 2.211 376 K HA -0.143 4.177 4.320 0.000 0.000 0.204 376 K C 0.416 176.927 176.600 -0.149 0.000 1.047 376 K CA 1.354 57.531 56.287 -0.185 0.000 0.935 376 K CB 0.006 32.405 32.500 -0.168 0.000 0.728 376 K HN 0.321 nan 8.250 nan 0.000 0.452 377 D N -1.266 119.046 120.400 -0.146 0.000 2.349 377 D HA 0.078 4.718 4.640 0.000 0.000 0.214 377 D C 0.671 176.898 176.300 -0.120 0.000 1.063 377 D CA 0.850 54.816 54.000 -0.057 0.000 0.847 377 D CB 0.970 41.803 40.800 0.055 0.000 0.933 377 D HN 0.436 nan 8.370 nan 0.000 0.513 378 G N 0.901 109.563 108.800 -0.230 0.000 2.130 378 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 378 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 378 G C -0.405 174.133 174.900 -0.603 0.000 0.999 378 G CA -0.478 44.373 45.100 -0.415 0.000 0.686 378 G HN 0.265 nan 8.290 nan 0.000 0.515 379 Y N 0.104 120.133 120.300 -0.451 0.000 2.334 379 Y HA 0.583 5.133 4.550 0.000 0.000 0.336 379 Y C 0.725 176.212 175.900 -0.688 0.000 0.960 379 Y CA -1.159 56.575 58.100 -0.611 0.000 1.164 379 Y CB 1.457 39.426 38.460 -0.819 0.000 1.155 379 Y HN -0.014 nan 8.280 nan 0.000 0.478 380 K N 3.762 123.943 120.400 -0.365 0.000 2.319 380 K HA 0.042 4.362 4.320 0.000 0.000 0.277 380 K C -0.792 175.696 176.600 -0.185 0.000 1.111 380 K CA 0.784 56.948 56.287 -0.205 0.000 1.093 380 K CB -0.507 31.930 32.500 -0.106 0.000 0.910 380 K HN 0.680 nan 8.250 nan 0.000 0.452 381 H N 0.844 119.911 119.070 -0.006 0.000 2.927 381 H HA 0.505 5.061 4.556 0.000 0.000 0.316 381 H C -0.252 175.070 175.328 -0.010 0.000 1.403 381 H CA -1.355 54.659 56.048 -0.057 0.000 1.288 381 H CB 1.496 31.243 29.762 -0.025 0.000 1.944 381 H HN 0.246 nan 8.280 nan 0.000 0.629 382 I N 2.118 122.718 120.570 0.050 0.000 2.359 382 I HA 0.262 4.432 4.170 0.000 0.000 0.294 382 I C -0.392 175.608 176.117 -0.193 0.000 0.987 382 I CA -0.389 60.871 61.300 -0.066 0.000 1.225 382 I CB 0.616 38.535 38.000 -0.136 0.000 1.366 382 I HN 0.521 nan 8.210 nan 0.000 0.466 383 c N 2.973 121.369 118.600 -0.339 0.000 3.086 383 c HA 0.509 5.079 4.570 0.000 0.000 0.311 383 c C -0.546 173.204 174.090 -0.566 0.000 1.260 383 c CA -1.006 54.955 56.329 -0.613 0.000 1.426 383 c CB 1.376 43.058 42.510 -1.379 0.000 1.826 383 c HN 0.741 nan 8.230 nan 0.000 0.474 384 Q N 0.677 120.083 119.800 -0.657 0.000 2.293 384 Q HA 0.616 4.956 4.340 0.000 0.000 0.251 384 Q C -1.328 174.119 176.000 -0.921 0.000 0.930 384 Q CA 0.321 55.650 55.803 -0.790 0.000 0.893 384 Q CB 1.052 29.393 28.738 -0.661 0.000 1.215 384 Q HN 0.691 nan 8.270 nan 0.000 0.425 385 F N 0.252 119.626 119.950 -0.960 0.000 2.593 385 F HA 0.340 4.867 4.527 0.000 0.000 0.320 385 F C 0.129 175.424 175.800 -0.843 0.000 1.060 385 F CA -0.966 56.435 58.000 -0.997 0.000 0.940 385 F CB 1.712 39.647 39.000 -1.776 0.000 1.268 385 F HN 0.258 nan 8.300 nan 0.000 0.475 386 Q N 1.334 121.002 119.800 -0.219 0.000 2.266 386 Q HA 0.225 4.565 4.340 0.000 0.000 0.261 386 Q C 0.983 177.089 176.000 0.176 0.000 0.985 386 Q CA -0.660 55.111 55.803 -0.053 0.000 0.873 386 Q CB 2.288 31.031 28.738 0.008 0.000 1.306 386 Q HN 0.773 nan 8.270 nan 0.000 0.447 387 K N 1.633 122.196 120.400 0.271 0.000 2.052 387 K HA -0.185 4.135 4.320 0.000 0.000 0.215 387 K C -0.229 176.636 176.600 0.442 0.000 1.053 387 K CA 1.556 58.119 56.287 0.460 0.000 0.934 387 K CB 0.100 32.803 32.500 0.338 0.000 0.717 387 K HN 0.512 nan 8.250 nan 0.000 0.450 388 D N 1.050 121.582 120.400 0.221 0.000 2.339 388 D HA 0.033 4.673 4.640 0.000 0.000 0.245 388 D C 0.008 176.313 176.300 0.009 0.000 1.115 388 D CA -0.080 53.966 54.000 0.076 0.000 0.917 388 D CB 1.037 41.865 40.800 0.046 0.000 1.192 388 D HN 0.234 nan 8.370 nan 0.000 0.428 389 R N 0.744 121.129 120.500 -0.191 0.000 2.577 389 R HA 0.291 4.631 4.340 0.000 0.000 0.269 389 R C -0.424 175.861 176.300 -0.025 0.000 1.084 389 R CA -0.252 55.736 56.100 -0.188 0.000 1.163 389 R CB 0.645 30.782 30.300 -0.271 0.000 1.100 389 R HN 0.265 nan 8.270 nan 0.000 0.547 390 K N 2.540 122.952 120.400 0.020 0.000 2.443 390 K HA 0.324 4.644 4.320 0.000 0.000 0.252 390 K C -2.500 174.107 176.600 0.011 0.000 0.933 390 K CA -2.050 54.243 56.287 0.010 0.000 0.792 390 K CB 2.356 34.859 32.500 0.006 0.000 1.185 390 K HN 0.523 nan 8.250 nan 0.000 0.425 391 P HA -0.081 nan 4.420 nan 0.000 0.252 391 P C -0.941 176.363 177.300 0.007 0.000 1.183 391 P CA 0.685 63.788 63.100 0.005 0.000 0.973 391 P CB -0.001 31.699 31.700 0.001 0.000 0.990 392 E N 2.213 122.422 120.200 0.015 0.000 2.360 392 E HA -0.234 4.116 4.350 0.000 0.000 0.238 392 E C -0.091 176.510 176.600 0.002 0.000 1.186 392 E CA 0.556 56.964 56.400 0.014 0.000 0.719 392 E CB -1.491 28.216 29.700 0.011 0.000 1.236 392 E HN 0.669 nan 8.360 nan 0.000 0.386 393 Q N -1.896 117.901 119.800 -0.006 0.000 1.798 393 Q HA 0.053 4.393 4.340 0.000 0.000 0.173 393 Q C 1.068 177.024 176.000 -0.073 0.000 0.780 393 Q CA 0.327 56.109 55.803 -0.035 0.000 0.866 393 Q CB 0.819 29.538 28.738 -0.032 0.000 1.234 393 Q HN 0.174 nan 8.270 nan 0.000 0.390 394 V N -0.717 119.175 119.914 -0.036 0.000 2.794 394 V HA -0.206 3.914 4.120 0.000 0.000 0.260 394 V C 1.176 177.030 176.094 -0.400 0.000 1.103 394 V CA 1.033 63.316 62.300 -0.029 0.000 1.125 394 V CB -0.697 31.278 31.823 0.255 0.000 0.702 394 V HN 0.439 nan 8.190 nan 0.000 0.494 395 c N -1.001 117.317 118.600 -0.470 0.000 2.710 395 c HA 0.783 5.353 4.570 0.000 0.000 0.367 395 c C 0.391 174.211 174.090 -0.450 0.000 1.315 395 c CA -0.073 55.787 56.329 -0.782 0.000 1.764 395 c CB 2.009 43.987 42.510 -0.888 0.000 2.182 395 c HN 0.497 nan 8.230 nan 0.000 0.491 396 T N 1.886 116.143 114.554 -0.495 0.000 4.096 396 T HA 0.274 4.624 4.350 0.000 0.000 0.336 396 T C -1.095 173.461 174.700 -0.241 0.000 0.820 396 T CA -0.190 61.779 62.100 -0.218 0.000 0.986 396 T CB -0.088 68.669 68.868 -0.185 0.000 1.077 396 T HN 0.326 nan 8.240 nan 0.000 0.466 397 F N 2.394 122.235 119.950 -0.182 0.000 2.471 397 F HA 0.393 4.920 4.527 0.000 0.000 0.353 397 F C 1.673 177.369 175.800 -0.172 0.000 1.113 397 F CA -0.721 57.177 58.000 -0.171 0.000 1.262 397 F CB 0.508 39.427 39.000 -0.134 0.000 1.146 397 F HN 0.523 nan 8.300 nan 0.000 0.578 398 I N 0.635 121.160 120.570 -0.075 0.000 3.941 398 I HA 0.037 4.207 4.170 0.000 0.000 0.321 398 I C 0.145 176.151 176.117 -0.185 0.000 1.284 398 I CA 0.667 61.826 61.300 -0.235 0.000 1.226 398 I CB 0.103 37.899 38.000 -0.341 0.000 1.045 398 I HN 0.475 nan 8.210 nan 0.000 0.420 399 T N 2.107 116.547 114.554 -0.189 0.000 2.881 399 T HA 0.459 4.809 4.350 0.000 0.000 0.290 399 T C -0.525 173.760 174.700 -0.692 0.000 1.000 399 T CA -0.600 61.236 62.100 -0.439 0.000 0.978 399 T CB 2.214 70.676 68.868 -0.677 0.000 0.997 399 T HN -0.011 nan 8.240 nan 0.000 0.443 400 K N 1.029 121.081 120.400 -0.579 0.000 2.346 400 K HA 0.908 5.228 4.320 0.000 0.000 0.238 400 K C -0.013 176.370 176.600 -0.363 0.000 1.039 400 K CA -1.082 54.970 56.287 -0.393 0.000 0.861 400 K CB 2.210 34.615 32.500 -0.158 0.000 1.278 400 K HN 0.909 nan 8.250 nan 0.000 0.460 401 G N -0.560 108.132 108.800 -0.179 0.000 2.381 401 G HA2 0.237 4.198 3.960 0.000 0.000 0.672 401 G HA3 0.237 4.198 3.960 0.000 0.000 0.672 401 G C -1.508 172.993 174.900 -0.665 0.000 1.324 401 G CA -0.483 44.497 45.100 -0.201 0.000 0.975 401 G HN 0.617 nan 8.290 nan 0.000 0.593 402 A N 0.979 123.514 122.820 -0.475 0.000 3.175 402 A HA 0.717 5.037 4.320 0.000 0.000 0.289 402 A C 0.090 177.590 177.584 -0.140 0.000 1.429 402 A CA 0.541 52.010 52.037 -0.946 0.000 1.155 402 A CB -0.809 17.911 19.000 -0.467 0.000 1.169 402 A HN 1.911 nan 8.150 nan 0.000 0.574 403 W N -0.818 120.388 121.300 -0.157 0.000 2.926 403 W HA 0.634 5.294 4.660 0.000 0.000 0.361 403 W C -1.215 175.422 176.519 0.196 0.000 1.195 403 W CA -0.756 56.639 57.345 0.084 0.000 1.177 403 W CB 0.195 29.664 29.460 0.014 0.000 1.453 403 W HN 0.277 nan 8.180 nan 0.000 0.571 404 E N 0.466 120.851 120.200 0.309 0.000 2.393 404 E HA 0.482 4.832 4.350 0.000 0.000 0.273 404 E C -1.256 175.495 176.600 0.251 0.000 0.918 404 E CA -1.165 55.294 56.400 0.099 0.000 0.773 404 E CB 3.266 33.016 29.700 0.082 0.000 1.275 404 E HN 0.177 nan 8.360 nan 0.000 0.451 405 V N 3.599 123.594 119.914 0.134 0.000 2.432 405 V HA 0.034 4.154 4.120 0.000 0.000 0.271 405 V C 1.212 177.393 176.094 0.146 0.000 1.046 405 V CA -0.190 62.186 62.300 0.127 0.000 0.945 405 V CB 0.540 32.315 31.823 -0.080 0.000 0.992 405 V HN 0.690 nan 8.190 nan 0.000 0.471 406 I N 3.256 123.926 120.570 0.167 0.000 2.233 406 I HA -0.012 4.158 4.170 0.000 0.000 0.243 406 I C 1.037 177.245 176.117 0.152 0.000 1.093 406 I CA 1.300 62.677 61.300 0.128 0.000 1.380 406 I CB -0.583 37.433 38.000 0.028 0.000 1.067 406 I HN 0.839 nan 8.210 nan 0.000 0.413 407 S N -0.417 115.378 115.700 0.159 0.000 2.542 407 S HA 0.517 4.987 4.470 0.000 0.000 0.276 407 S C -0.782 173.910 174.600 0.153 0.000 1.148 407 S CA -0.857 57.439 58.200 0.160 0.000 0.886 407 S CB 1.482 64.780 63.200 0.162 0.000 1.109 407 S HN 0.049 nan 8.310 nan 0.000 0.458 408 I N 2.730 123.356 120.570 0.093 0.000 2.441 408 I HA 0.235 4.405 4.170 0.000 0.000 0.287 408 I C 0.938 177.029 176.117 -0.043 0.000 1.049 408 I CA -0.256 61.018 61.300 -0.043 0.000 1.381 408 I CB 0.884 38.660 38.000 -0.373 0.000 1.409 408 I HN 0.785 nan 8.210 nan 0.000 0.523 409 E N 4.718 124.931 120.200 0.022 0.000 2.372 409 E HA 0.328 4.678 4.350 0.000 0.000 0.201 409 E C 0.003 176.630 176.600 0.044 0.000 0.938 409 E CA 0.184 56.618 56.400 0.057 0.000 0.944 409 E CB 1.002 30.743 29.700 0.068 0.000 0.937 409 E HN 0.686 nan 8.360 nan 0.000 0.495 410 A N 0.705 123.550 122.820 0.042 0.000 2.594 410 A HA 0.527 4.847 4.320 0.000 0.000 0.296 410 A C -2.030 175.629 177.584 0.126 0.000 1.056 410 A CA -0.670 51.416 52.037 0.081 0.000 0.693 410 A CB 1.023 20.028 19.000 0.007 0.000 1.278 410 A HN 0.035 nan 8.150 nan 0.000 0.408 411 L N 1.697 122.996 121.223 0.127 0.000 2.372 411 L HA 0.683 5.023 4.340 0.000 0.000 0.273 411 L C 0.180 177.132 176.870 0.138 0.000 0.989 411 L CA 0.403 55.304 54.840 0.102 0.000 0.841 411 L CB 1.542 43.656 42.059 0.091 0.000 1.225 411 L HN 0.809 nan 8.230 nan 0.000 0.414 412 T N 1.368 116.019 114.554 0.161 0.000 2.849 412 T HA 0.235 4.585 4.350 0.000 0.000 0.276 412 T C 1.272 176.017 174.700 0.076 0.000 0.971 412 T CA 0.022 62.209 62.100 0.144 0.000 0.949 412 T CB 1.358 70.365 68.868 0.232 0.000 1.093 412 T HN 0.684 nan 8.240 nan 0.000 0.545 413 S N 0.662 116.386 115.700 0.041 0.000 2.447 413 S HA -0.093 4.377 4.470 0.000 0.000 0.233 413 S C 0.864 175.443 174.600 -0.034 0.000 1.006 413 S CA 1.442 59.653 58.200 0.018 0.000 0.957 413 S CB -0.331 62.872 63.200 0.005 0.000 0.773 413 S HN 0.862 nan 8.310 nan 0.000 0.507 414 D N -1.914 118.411 120.400 -0.125 0.000 2.525 414 D HA 0.228 4.868 4.640 0.000 0.000 0.231 414 D C -0.173 175.952 176.300 -0.291 0.000 1.216 414 D CA -0.322 53.523 54.000 -0.259 0.000 0.813 414 D CB 0.110 40.640 40.800 -0.451 0.000 1.108 414 D HN 0.405 nan 8.370 nan 0.000 0.524 415 Y N 0.175 120.459 120.300 -0.028 0.000 2.545 415 Y HA 0.537 5.087 4.550 0.000 0.000 0.348 415 Y C -1.358 174.463 175.900 -0.133 0.000 1.002 415 Y CA -1.808 56.218 58.100 -0.124 0.000 1.039 415 Y CB 2.544 40.872 38.460 -0.221 0.000 1.271 415 Y HN -0.154 nan 8.280 nan 0.000 0.467 416 L N 3.124 124.329 121.223 -0.031 0.000 2.372 416 L HA 0.493 4.833 4.340 0.000 0.000 0.273 416 L C -1.979 174.833 176.870 -0.097 0.000 0.989 416 L CA -1.153 53.644 54.840 -0.072 0.000 0.841 416 L CB 0.086 42.029 42.059 -0.192 0.000 1.225 416 L HN 0.402 nan 8.230 nan 0.000 0.414 417 Y N 5.814 126.092 120.300 -0.037 0.000 2.308 417 Y HA 0.561 5.111 4.550 0.000 0.000 0.329 417 Y C -0.034 175.868 175.900 0.004 0.000 1.111 417 Y CA 0.095 58.137 58.100 -0.097 0.000 1.179 417 Y CB 0.987 39.358 38.460 -0.149 0.000 1.201 417 Y HN 0.656 nan 8.280 nan 0.000 0.483 418 Y N -0.141 120.188 120.300 0.049 0.000 2.896 418 Y HA 0.854 5.404 4.550 0.000 0.000 0.317 418 Y C -1.835 174.105 175.900 0.067 0.000 1.444 418 Y CA -2.232 55.889 58.100 0.035 0.000 1.084 418 Y CB 1.295 39.761 38.460 0.010 0.000 1.382 418 Y HN 0.350 nan 8.280 nan 0.000 0.471 419 I N 2.409 123.225 120.570 0.411 0.000 2.548 419 I HA 0.512 4.682 4.170 0.000 0.000 0.287 419 I C -0.932 175.394 176.117 0.350 0.000 1.103 419 I CA -0.481 60.967 61.300 0.248 0.000 1.049 419 I CB 2.145 40.211 38.000 0.110 0.000 1.232 419 I HN 0.879 nan 8.210 nan 0.000 0.429 420 S N 3.518 119.407 115.700 0.314 0.000 2.740 420 S HA 0.510 4.980 4.470 0.000 0.000 0.300 420 S C -0.402 174.288 174.600 0.150 0.000 1.147 420 S CA -0.763 57.603 58.200 0.276 0.000 0.871 420 S CB 1.891 65.361 63.200 0.451 0.000 1.173 420 S HN 0.644 nan 8.310 nan 0.000 0.510 421 N N -0.561 118.235 118.700 0.160 0.000 2.458 421 N HA 0.138 4.878 4.740 0.000 0.000 0.274 421 N C 0.371 175.907 175.510 0.044 0.000 1.242 421 N CA -0.339 52.756 53.050 0.075 0.000 0.904 421 N CB 0.316 38.822 38.487 0.030 0.000 1.206 421 N HN 0.863 nan 8.380 nan 0.000 0.510 422 E N -0.114 120.002 120.200 -0.139 0.000 2.076 422 E HA -0.158 4.192 4.350 0.000 0.000 0.190 422 E C -0.247 176.209 176.600 -0.240 0.000 0.979 422 E CA 0.031 56.086 56.400 -0.576 0.000 0.807 422 E CB -0.095 28.577 29.700 -1.712 0.000 0.761 422 E HN 0.318 nan 8.360 nan 0.000 0.454 423 Y N 2.197 122.416 120.300 -0.137 0.000 2.903 423 Y HA -0.158 4.392 4.550 0.000 0.000 0.338 423 Y C 0.483 176.353 175.900 -0.050 0.000 1.265 423 Y CA 0.838 58.911 58.100 -0.045 0.000 1.532 423 Y CB 0.271 38.746 38.460 0.026 0.000 1.293 423 Y HN 0.115 nan 8.280 nan 0.000 0.609 424 K N 3.257 123.266 120.400 -0.651 0.000 2.905 424 K HA -0.367 3.953 4.320 0.000 0.000 0.256 424 K C 0.193 176.696 176.600 -0.162 0.000 1.008 424 K CA 1.289 57.288 56.287 -0.481 0.000 0.752 424 K CB -0.909 31.239 32.500 -0.585 0.000 1.216 424 K HN 0.929 nan 8.250 nan 0.000 0.479 425 E N -1.752 118.375 120.200 -0.122 0.000 2.660 425 E HA -0.259 4.091 4.350 0.000 0.000 0.260 425 E C -0.494 176.075 176.600 -0.052 0.000 1.122 425 E CA 1.163 57.540 56.400 -0.039 0.000 0.755 425 E CB -1.003 28.710 29.700 0.020 0.000 1.345 425 E HN 0.476 nan 8.360 nan 0.000 0.421 426 M N 1.197 120.693 119.600 -0.173 0.000 2.151 426 M HA 0.125 4.605 4.480 0.000 0.000 0.349 426 M C -1.386 174.643 176.300 -0.451 0.000 1.284 426 M CA -1.681 53.329 55.300 -0.484 0.000 1.173 426 M CB 0.544 32.960 32.600 -0.305 0.000 1.469 426 M HN -0.154 nan 8.290 nan 0.000 0.439 427 P HA -0.067 nan 4.420 nan 0.000 0.226 427 P C 0.995 178.133 177.300 -0.271 0.000 1.153 427 P CA 1.102 64.013 63.100 -0.316 0.000 0.777 427 P CB 0.160 31.679 31.700 -0.303 0.000 0.794 428 G N -0.473 108.071 108.800 -0.427 0.000 3.141 428 G HA2 0.258 4.218 3.960 0.000 0.000 0.218 428 G HA3 0.258 4.218 3.960 0.000 0.000 0.218 428 G C 0.712 175.617 174.900 0.008 0.000 1.170 428 G CA 0.088 45.084 45.100 -0.172 0.000 0.769 428 G HN 0.427 nan 8.290 nan 0.000 0.546 429 G N -0.274 108.498 108.800 -0.047 0.000 2.441 429 G HA2 0.617 4.577 3.960 0.000 0.000 0.334 429 G HA3 0.617 4.577 3.960 0.000 0.000 0.334 429 G C -0.893 173.986 174.900 -0.036 0.000 1.161 429 G CA -0.746 44.388 45.100 0.057 0.000 0.935 429 G HN 0.036 nan 8.290 nan 0.000 0.488 430 R N 1.202 121.632 120.500 -0.117 0.000 2.483 430 R HA 0.430 4.770 4.340 0.000 0.000 0.303 430 R C -1.091 175.207 176.300 -0.003 0.000 0.987 430 R CA -0.814 55.148 56.100 -0.229 0.000 0.881 430 R CB 1.570 31.419 30.300 -0.753 0.000 1.177 430 R HN 0.565 nan 8.270 nan 0.000 0.451 431 N N 1.782 120.533 118.700 0.084 0.000 2.262 431 N HA 0.303 5.043 4.740 0.000 0.000 0.295 431 N C -1.167 174.346 175.510 0.006 0.000 1.161 431 N CA -0.814 52.273 53.050 0.063 0.000 0.767 431 N CB 2.738 41.232 38.487 0.012 0.000 1.499 431 N HN 0.241 nan 8.380 nan 0.000 0.476 432 L N 3.021 124.089 121.223 -0.258 0.000 2.268 432 L HA 0.415 4.755 4.340 0.000 0.000 0.289 432 L C -1.270 175.290 176.870 -0.517 0.000 1.064 432 L CA -0.022 54.625 54.840 -0.322 0.000 0.824 432 L CB -0.715 41.099 42.059 -0.408 0.000 1.202 432 L HN 0.372 nan 8.230 nan 0.000 0.433 433 Y N 4.003 123.879 120.300 -0.706 0.000 2.545 433 Y HA 0.689 5.239 4.550 0.000 0.000 0.324 433 Y C 0.032 175.446 175.900 -0.809 0.000 1.220 433 Y CA -0.754 56.850 58.100 -0.826 0.000 1.290 433 Y CB 1.206 38.999 38.460 -1.111 0.000 1.355 433 Y HN 0.574 nan 8.280 nan 0.000 0.516 434 K N 0.941 121.060 120.400 -0.468 0.000 2.550 434 K HA 0.648 4.968 4.320 0.000 0.000 0.252 434 K C -2.248 174.152 176.600 -0.333 0.000 0.943 434 K CA -0.447 55.514 56.287 -0.544 0.000 0.806 434 K CB 1.431 33.378 32.500 -0.921 0.000 1.289 434 K HN 0.678 nan 8.250 nan 0.000 0.435 435 I N 2.697 123.150 120.570 -0.195 0.000 2.509 435 I HA 0.226 4.396 4.170 0.000 0.000 0.293 435 I C -0.413 175.759 176.117 0.092 0.000 1.020 435 I CA -1.054 60.230 61.300 -0.027 0.000 1.088 435 I CB 2.158 40.197 38.000 0.064 0.000 1.267 435 I HN 0.722 nan 8.210 nan 0.000 0.430 436 Q N 4.736 124.660 119.800 0.208 0.000 2.296 436 Q HA 0.253 4.593 4.340 0.000 0.000 0.262 436 Q C 0.463 176.612 176.000 0.248 0.000 0.981 436 Q CA -0.284 55.746 55.803 0.379 0.000 0.905 436 Q CB 1.219 30.155 28.738 0.330 0.000 1.186 436 Q HN 0.670 nan 8.270 nan 0.000 0.399 437 L N 2.630 123.961 121.223 0.179 0.000 1.970 437 L HA -0.242 4.098 4.340 0.000 0.000 0.212 437 L C 2.568 179.514 176.870 0.127 0.000 1.071 437 L CA 1.970 56.937 54.840 0.210 0.000 0.751 437 L CB -1.090 41.045 42.059 0.127 0.000 0.889 437 L HN 0.855 nan 8.230 nan 0.000 0.432 438 T N -3.377 111.192 114.554 0.025 0.000 2.803 438 T HA -0.218 4.132 4.350 0.000 0.000 0.269 438 T C 0.887 175.528 174.700 -0.098 0.000 1.052 438 T CA 1.313 63.384 62.100 -0.049 0.000 1.136 438 T CB -0.201 68.644 68.868 -0.038 0.000 0.864 438 T HN 0.195 nan 8.240 nan 0.000 0.467 439 D N 0.565 120.954 120.400 -0.018 0.000 2.438 439 D HA 0.179 4.819 4.640 0.000 0.000 0.257 439 D C -0.187 176.179 176.300 0.109 0.000 1.148 439 D CA -0.575 53.422 54.000 -0.005 0.000 0.902 439 D CB 0.522 41.338 40.800 0.027 0.000 1.062 439 D HN 0.236 nan 8.370 nan 0.000 0.518 440 H N 1.628 120.722 119.070 0.039 0.000 2.566 440 H HA 0.030 4.586 4.556 0.000 0.000 0.277 440 H C 1.274 176.623 175.328 0.036 0.000 1.046 440 H CA 0.504 56.577 56.048 0.042 0.000 1.172 440 H CB 0.074 29.858 29.762 0.037 0.000 1.319 440 H HN 0.275 nan 8.280 nan 0.000 0.621 441 T N -1.183 113.453 114.554 0.137 0.000 3.042 441 T HA -0.023 4.327 4.350 0.000 0.000 0.245 441 T C 1.716 176.455 174.700 0.065 0.000 1.029 441 T CA 0.664 62.814 62.100 0.084 0.000 1.120 441 T CB -0.136 68.763 68.868 0.052 0.000 0.917 441 T HN 0.644 nan 8.240 nan 0.000 0.467 442 N N 2.597 121.338 118.700 0.069 0.000 3.059 442 N HA 0.079 4.819 4.740 0.000 0.000 0.321 442 N C 0.131 175.649 175.510 0.014 0.000 1.224 442 N CA 0.253 53.329 53.050 0.043 0.000 1.197 442 N CB -0.886 37.645 38.487 0.074 0.000 1.453 442 N HN 0.414 nan 8.380 nan 0.000 0.544 443 K N 0.792 121.201 120.400 0.016 0.000 2.292 443 K HA 0.271 4.591 4.320 0.000 0.000 0.270 443 K C -0.695 175.889 176.600 -0.026 0.000 1.062 443 K CA -0.578 55.716 56.287 0.012 0.000 0.916 443 K CB 0.430 32.977 32.500 0.079 0.000 1.166 443 K HN 0.401 nan 8.250 nan 0.000 0.458 444 K N 4.149 124.477 120.400 -0.119 0.000 2.316 444 K HA 0.260 4.580 4.320 0.000 0.000 0.251 444 K C -1.326 175.081 176.600 -0.322 0.000 0.934 444 K CA -0.844 55.333 56.287 -0.183 0.000 0.802 444 K CB 1.701 34.078 32.500 -0.204 0.000 1.171 444 K HN 0.719 nan 8.250 nan 0.000 0.426 445 C N 5.892 124.915 119.300 -0.462 0.000 2.435 445 C HA 0.366 4.826 4.460 0.000 0.000 0.375 445 C C 1.262 175.872 174.990 -0.633 0.000 1.281 445 C CA -0.602 57.878 59.018 -0.896 0.000 1.963 445 C CB -0.939 26.117 27.740 -1.140 0.000 2.490 445 C HN 0.945 nan 8.230 nan 0.000 0.557 446 L N 4.755 125.589 121.223 -0.648 0.000 2.616 446 L HA 0.146 4.486 4.340 0.000 0.000 0.229 446 L C 1.885 178.456 176.870 -0.498 0.000 1.110 446 L CA 0.595 55.146 54.840 -0.481 0.000 0.884 446 L CB -0.293 41.478 42.059 -0.480 0.000 1.115 446 L HN 0.895 nan 8.230 nan 0.000 0.481 447 S N -3.209 112.108 115.700 -0.638 0.000 2.649 447 S HA 0.012 4.482 4.470 0.000 0.000 0.246 447 S C 1.737 176.050 174.600 -0.479 0.000 1.057 447 S CA -0.160 57.609 58.200 -0.718 0.000 1.051 447 S CB -0.233 62.162 63.200 -1.343 0.000 1.018 447 S HN 0.276 nan 8.310 nan 0.000 0.569 448 C N 3.160 122.113 119.300 -0.578 0.000 2.367 448 C HA -0.134 4.326 4.460 0.000 0.000 0.276 448 C C 2.489 177.254 174.990 -0.376 0.000 1.195 448 C CA 1.555 60.151 59.018 -0.704 0.000 1.756 448 C CB -1.025 26.033 27.740 -1.137 0.000 2.046 448 C HN 0.633 nan 8.230 nan 0.000 0.453 449 D N 0.822 121.050 120.400 -0.287 0.000 2.088 449 D HA -0.093 4.547 4.640 0.000 0.000 0.196 449 D C 2.021 178.289 176.300 -0.053 0.000 0.983 449 D CA 0.990 54.912 54.000 -0.130 0.000 0.846 449 D CB -0.929 39.801 40.800 -0.117 0.000 0.992 449 D HN 0.440 nan 8.370 nan 0.000 0.448 450 L N -0.295 120.898 121.223 -0.050 0.000 2.645 450 L HA -0.335 4.005 4.340 0.000 0.000 0.241 450 L C 0.370 177.270 176.870 0.049 0.000 2.000 450 L CA 2.119 56.970 54.840 0.020 0.000 0.772 450 L CB -1.038 41.053 42.059 0.053 0.000 1.505 450 L HN 0.108 nan 8.230 nan 0.000 0.393 451 N N -0.709 118.045 118.700 0.090 0.000 2.733 451 N HA 0.172 4.912 4.740 0.000 0.000 0.271 451 N C -1.869 173.682 175.510 0.068 0.000 1.720 451 N CA -0.745 52.343 53.050 0.064 0.000 0.803 451 N CB 0.805 39.323 38.487 0.051 0.000 1.208 451 N HN 0.226 nan 8.380 nan 0.000 0.498 452 P HA -0.229 nan 4.420 nan 0.000 0.219 452 P C 0.233 177.577 177.300 0.074 0.000 1.144 452 P CA 1.491 64.653 63.100 0.104 0.000 0.806 452 P CB 0.530 32.298 31.700 0.114 0.000 0.771 453 E N 0.176 120.401 120.200 0.042 0.000 2.060 453 E HA -0.061 4.289 4.350 0.000 0.000 0.189 453 E C 2.380 178.982 176.600 0.003 0.000 0.974 453 E CA 0.669 57.082 56.400 0.022 0.000 0.808 453 E CB -0.895 28.810 29.700 0.010 0.000 0.768 453 E HN 0.183 nan 8.360 nan 0.000 0.453 454 R N -0.075 120.417 120.500 -0.013 0.000 2.156 454 R HA 0.183 4.523 4.340 0.000 0.000 0.207 454 R C -0.345 175.907 176.300 -0.079 0.000 1.040 454 R CA 0.571 56.640 56.100 -0.052 0.000 1.013 454 R CB 0.315 30.572 30.300 -0.071 0.000 0.931 454 R HN 0.223 nan 8.270 nan 0.000 0.465 455 c N 0.820 119.378 118.600 -0.070 0.000 2.340 455 c HA 0.457 5.027 4.570 0.000 0.000 0.323 455 c C 0.265 174.298 174.090 -0.096 0.000 1.260 455 c CA -0.744 55.470 56.329 -0.191 0.000 1.464 455 c CB 1.570 43.858 42.510 -0.371 0.000 2.156 455 c HN 0.486 nan 8.230 nan 0.000 0.476 456 Q N 0.048 119.793 119.800 -0.093 0.000 2.081 456 Q HA 0.153 4.493 4.340 0.000 0.000 0.220 456 Q C -0.946 175.101 176.000 0.079 0.000 0.775 456 Q CA 0.109 55.951 55.803 0.065 0.000 0.983 456 Q CB 1.298 30.101 28.738 0.108 0.000 1.188 456 Q HN 0.810 nan 8.270 nan 0.000 0.458 457 Y N 0.614 120.789 120.300 -0.209 0.000 2.426 457 Y HA 0.381 4.931 4.550 0.000 0.000 0.325 457 Y C -1.422 174.329 175.900 -0.248 0.000 0.989 457 Y CA -0.959 57.061 58.100 -0.134 0.000 1.284 457 Y CB 0.677 39.085 38.460 -0.087 0.000 1.104 457 Y HN -0.077 nan 8.280 nan 0.000 0.481 458 Y N 2.370 122.590 120.300 -0.132 0.000 2.420 458 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 458 Y C 0.284 176.134 175.900 -0.084 0.000 1.094 458 Y CA -0.533 57.519 58.100 -0.080 0.000 1.126 458 Y CB 2.069 40.471 38.460 -0.098 0.000 1.217 458 Y HN 0.480 nan 8.280 nan 0.000 0.462 459 S N 2.201 118.027 115.700 0.210 0.000 2.532 459 S HA 0.807 5.277 4.470 0.000 0.000 0.301 459 S C -1.432 173.277 174.600 0.182 0.000 1.083 459 S CA -0.496 57.809 58.200 0.175 0.000 1.025 459 S CB 1.542 64.877 63.200 0.225 0.000 1.056 459 S HN 0.592 nan 8.310 nan 0.000 0.494 460 V N 1.981 121.980 119.914 0.142 0.000 3.164 460 V HA 0.967 5.087 4.120 0.000 0.000 0.313 460 V C -0.968 175.229 176.094 0.173 0.000 1.188 460 V CA -0.114 62.263 62.300 0.129 0.000 1.058 460 V CB 2.283 34.123 31.823 0.028 0.000 1.110 460 V HN 1.179 nan 8.190 nan 0.000 0.453 461 S N 2.038 117.867 115.700 0.215 0.000 2.288 461 S HA 0.451 4.921 4.470 0.000 0.000 0.258 461 S C -1.721 173.175 174.600 0.493 0.000 0.919 461 S CA -0.512 57.875 58.200 0.313 0.000 1.010 461 S CB 0.226 63.590 63.200 0.273 0.000 1.231 461 S HN 0.634 nan 8.310 nan 0.000 0.403 462 L N 3.865 125.251 121.223 0.271 0.000 2.343 462 L HA 0.665 5.005 4.340 0.000 0.000 0.275 462 L C 1.005 177.620 176.870 -0.426 0.000 1.056 462 L CA -0.433 54.428 54.840 0.034 0.000 0.804 462 L CB 1.564 43.512 42.059 -0.185 0.000 1.203 462 L HN 0.726 nan 8.230 nan 0.000 0.440 463 S N 0.915 115.938 115.700 -1.128 0.000 2.576 463 S HA 0.128 4.598 4.470 0.000 0.000 0.272 463 S C 1.187 175.448 174.600 -0.564 0.000 1.352 463 S CA -0.597 56.623 58.200 -1.633 0.000 1.021 463 S CB 0.581 62.894 63.200 -1.479 0.000 0.887 463 S HN 0.531 nan 8.310 nan 0.000 0.542 464 K N 1.748 121.962 120.400 -0.309 0.000 2.097 464 K HA -0.247 4.073 4.320 0.000 0.000 0.223 464 K C 1.305 177.863 176.600 -0.069 0.000 1.049 464 K CA 2.543 58.777 56.287 -0.087 0.000 0.956 464 K CB -0.730 31.761 32.500 -0.015 0.000 0.746 464 K HN 0.885 nan 8.250 nan 0.000 0.461 465 E N -1.153 118.995 120.200 -0.087 0.000 2.499 465 E HA 0.319 4.669 4.350 0.000 0.000 0.199 465 E C -0.305 176.254 176.600 -0.068 0.000 1.016 465 E CA 0.363 56.738 56.400 -0.041 0.000 0.933 465 E CB 0.551 30.248 29.700 -0.005 0.000 1.050 465 E HN 0.348 nan 8.360 nan 0.000 0.462 466 A N 1.494 124.217 122.820 -0.160 0.000 3.009 466 A HA -0.268 4.052 4.320 0.000 0.000 0.264 466 A C 1.221 178.716 177.584 -0.149 0.000 1.408 466 A CA 1.255 53.167 52.037 -0.208 0.000 0.789 466 A CB -2.041 16.819 19.000 -0.234 0.000 1.040 466 A HN 0.285 nan 8.150 nan 0.000 0.576 467 K N -1.693 118.612 120.400 -0.159 0.000 2.243 467 K HA 0.219 4.539 4.320 0.000 0.000 0.201 467 K C 0.116 176.367 176.600 -0.582 0.000 1.051 467 K CA 1.230 57.353 56.287 -0.274 0.000 0.970 467 K CB 0.077 32.470 32.500 -0.177 0.000 0.755 467 K HN 0.688 nan 8.250 nan 0.000 0.465 468 Y N -1.106 119.101 120.300 -0.155 0.000 2.638 468 Y HA 0.338 4.888 4.550 0.000 0.000 0.339 468 Y C -1.138 174.783 175.900 0.034 0.000 1.084 468 Y CA -1.392 56.666 58.100 -0.070 0.000 1.068 468 Y CB 1.577 40.041 38.460 0.007 0.000 1.294 468 Y HN -0.022 nan 8.280 nan 0.000 0.480 469 Y N -0.820 119.649 120.300 0.281 0.000 2.376 469 Y HA 0.404 4.954 4.550 0.000 0.000 0.321 469 Y C -1.349 174.730 175.900 0.297 0.000 1.189 469 Y CA -1.424 56.811 58.100 0.224 0.000 1.069 469 Y CB 1.012 39.452 38.460 -0.034 0.000 1.292 469 Y HN 0.640 nan 8.280 nan 0.000 0.430 470 Q N 4.315 124.421 119.800 0.509 0.000 2.230 470 Q HA 0.612 4.952 4.340 0.000 0.000 0.248 470 Q C -1.684 174.517 176.000 0.335 0.000 0.915 470 Q CA -0.709 55.295 55.803 0.335 0.000 0.900 470 Q CB 1.492 30.330 28.738 0.166 0.000 1.229 470 Q HN 1.000 nan 8.270 nan 0.000 0.439 471 L N 1.742 123.147 121.223 0.303 0.000 2.346 471 L HA 0.585 4.925 4.340 0.000 0.000 0.276 471 L C 0.062 177.114 176.870 0.302 0.000 1.006 471 L CA -0.856 54.143 54.840 0.265 0.000 0.817 471 L CB 2.160 44.316 42.059 0.162 0.000 1.272 471 L HN 0.812 nan 8.230 nan 0.000 0.421 472 G N 1.332 110.314 108.800 0.303 0.000 2.671 472 G HA2 0.316 4.276 3.960 0.000 0.000 0.318 472 G HA3 0.316 4.276 3.960 0.000 0.000 0.318 472 G C -0.711 174.180 174.900 -0.015 0.000 1.250 472 G CA -0.293 44.892 45.100 0.140 0.000 1.028 472 G HN 0.665 nan 8.290 nan 0.000 0.501 473 c N 5.390 123.814 118.600 -0.294 0.000 2.322 473 c HA 0.527 5.097 4.570 0.000 0.000 0.343 473 c C 1.170 175.052 174.090 -0.348 0.000 1.190 473 c CA -0.885 55.166 56.329 -0.463 0.000 1.704 473 c CB -0.330 41.947 42.510 -0.388 0.000 2.293 473 c HN 0.727 nan 8.230 nan 0.000 0.523 474 R N 4.037 124.435 120.500 -0.171 0.000 2.334 474 R HA 0.221 4.561 4.340 0.000 0.000 0.212 474 R C 1.401 177.690 176.300 -0.018 0.000 0.897 474 R CA 0.396 56.493 56.100 -0.005 0.000 1.056 474 R CB -1.288 29.122 30.300 0.182 0.000 1.046 474 R HN 0.876 nan 8.270 nan 0.000 0.513 475 G N 3.006 111.741 108.800 -0.109 0.000 3.365 475 G HA2 -0.139 3.821 3.960 0.000 0.000 0.238 475 G HA3 -0.139 3.821 3.960 0.000 0.000 0.238 475 G C -1.447 173.435 174.900 -0.030 0.000 1.264 475 G CA -0.531 44.517 45.100 -0.088 0.000 0.876 475 G HN 0.020 nan 8.290 nan 0.000 0.610 476 P HA -0.166 nan 4.420 nan 0.000 0.222 476 P C 1.401 178.723 177.300 0.036 0.000 1.157 476 P CA 1.986 65.105 63.100 0.031 0.000 0.905 476 P CB -0.115 31.594 31.700 0.016 0.000 0.792 477 G N -1.622 107.136 108.800 -0.070 0.000 2.543 477 G HA2 0.428 4.388 3.960 0.000 0.000 0.290 477 G HA3 0.428 4.388 3.960 0.000 0.000 0.290 477 G C -0.596 174.058 174.900 -0.409 0.000 1.310 477 G CA -0.741 44.243 45.100 -0.194 0.000 1.025 477 G HN 0.033 nan 8.290 nan 0.000 0.502 478 L N 1.916 122.777 121.223 -0.604 0.000 2.578 478 L HA 0.107 4.447 4.340 0.000 0.000 0.279 478 L C -1.562 175.093 176.870 -0.358 0.000 1.227 478 L CA -1.043 53.376 54.840 -0.702 0.000 0.900 478 L CB -0.024 41.745 42.059 -0.482 0.000 1.144 478 L HN 0.323 nan 8.230 nan 0.000 0.496 479 P HA -0.056 nan 4.420 nan 0.000 0.261 479 P C -0.764 176.365 177.300 -0.284 0.000 1.173 479 P CA -0.028 62.932 63.100 -0.234 0.000 0.760 479 P CB 0.871 32.531 31.700 -0.067 0.000 0.783 480 L N 5.790 126.770 121.223 -0.405 0.000 2.372 480 L HA 0.405 4.745 4.340 0.000 0.000 0.273 480 L C -1.386 175.274 176.870 -0.351 0.000 0.989 480 L CA -0.987 53.690 54.840 -0.272 0.000 0.841 480 L CB 0.657 42.632 42.059 -0.140 0.000 1.225 480 L HN 0.170 nan 8.230 nan 0.000 0.414 481 Y N 3.416 123.718 120.300 0.004 0.000 2.385 481 Y HA 0.610 5.160 4.550 0.000 0.000 0.341 481 Y C 0.778 176.638 175.900 -0.068 0.000 0.965 481 Y CA -0.456 57.644 58.100 -0.000 0.000 1.180 481 Y CB 1.286 39.735 38.460 -0.017 0.000 1.139 481 Y HN 0.661 nan 8.280 nan 0.000 0.502 482 T N 1.770 116.402 114.554 0.131 0.000 2.924 482 T HA 0.765 5.115 4.350 0.000 0.000 0.291 482 T C -0.987 173.801 174.700 0.146 0.000 1.045 482 T CA -0.998 61.142 62.100 0.066 0.000 1.015 482 T CB 1.930 70.855 68.868 0.095 0.000 1.103 482 T HN 0.562 nan 8.240 nan 0.000 0.496 483 L N 1.076 122.301 121.223 0.003 0.000 2.386 483 L HA 0.850 5.190 4.340 0.000 0.000 0.271 483 L C -1.494 175.345 176.870 -0.052 0.000 0.993 483 L CA -0.648 54.259 54.840 0.112 0.000 0.819 483 L CB 1.546 43.637 42.059 0.052 0.000 1.294 483 L HN 0.837 nan 8.230 nan 0.000 0.414 484 H N 1.554 120.438 119.070 -0.309 0.000 2.797 484 H HA 0.656 5.212 4.556 0.000 0.000 0.362 484 H C -0.943 174.154 175.328 -0.384 0.000 1.183 484 H CA -0.950 54.812 56.048 -0.477 0.000 1.197 484 H CB 1.239 30.419 29.762 -0.971 0.000 1.835 484 H HN 0.662 nan 8.280 nan 0.000 0.567 485 R N -0.093 120.311 120.500 -0.160 0.000 2.215 485 R HA 0.458 4.798 4.340 0.000 0.000 0.336 485 R C 0.376 176.554 176.300 -0.203 0.000 0.996 485 R CA -0.407 55.546 56.100 -0.246 0.000 0.847 485 R CB 1.170 31.349 30.300 -0.202 0.000 1.127 485 R HN 0.484 nan 8.270 nan 0.000 0.465 486 S N 2.354 117.956 115.700 -0.163 0.000 2.399 486 S HA -0.256 4.214 4.470 0.000 0.000 0.235 486 S C 1.204 175.853 174.600 0.080 0.000 1.063 486 S CA 2.406 60.670 58.200 0.108 0.000 1.070 486 S CB -0.325 62.913 63.200 0.062 0.000 0.904 486 S HN 0.859 nan 8.310 nan 0.000 0.456 487 T N 1.355 115.889 114.554 -0.034 0.000 2.592 487 T HA -0.227 4.123 4.350 0.000 0.000 0.267 487 T C 1.282 175.996 174.700 0.023 0.000 1.060 487 T CA 2.004 64.103 62.100 -0.002 0.000 1.167 487 T CB -0.502 68.333 68.868 -0.055 0.000 0.863 487 T HN 0.864 nan 8.240 nan 0.000 0.431 488 D N -0.980 119.423 120.400 0.005 0.000 2.525 488 D HA 0.243 4.883 4.640 0.000 0.000 0.231 488 D C 0.400 176.713 176.300 0.022 0.000 1.216 488 D CA -0.193 53.813 54.000 0.010 0.000 0.813 488 D CB -0.188 40.611 40.800 -0.003 0.000 1.108 488 D HN 0.245 nan 8.370 nan 0.000 0.524 489 Q N -0.400 119.428 119.800 0.046 0.000 2.465 489 Q HA -0.223 4.117 4.340 0.000 0.000 0.248 489 Q C -0.303 175.733 176.000 0.060 0.000 0.819 489 Q CA 1.025 56.885 55.803 0.095 0.000 1.219 489 Q CB -1.951 26.859 28.738 0.120 0.000 1.472 489 Q HN 0.476 nan 8.270 nan 0.000 0.630 490 K N 1.845 122.240 120.400 -0.009 0.000 2.419 490 K HA 0.029 4.349 4.320 0.000 0.000 0.282 490 K C -0.146 176.382 176.600 -0.120 0.000 1.056 490 K CA 0.120 56.381 56.287 -0.044 0.000 1.035 490 K CB 0.386 32.861 32.500 -0.042 0.000 0.921 490 K HN 0.243 nan 8.250 nan 0.000 0.472 491 E N 6.142 126.222 120.200 -0.201 0.000 2.161 491 E HA -0.057 4.293 4.350 0.000 0.000 0.263 491 E C 0.782 177.218 176.600 -0.274 0.000 1.185 491 E CA -0.209 55.905 56.400 -0.477 0.000 0.938 491 E CB 0.303 29.726 29.700 -0.463 0.000 1.023 491 E HN 0.667 nan 8.360 nan 0.000 0.433 492 L N 4.537 125.626 121.223 -0.223 0.000 1.989 492 L HA -0.142 4.198 4.340 0.000 0.000 0.211 492 L C 1.395 178.201 176.870 -0.106 0.000 1.071 492 L CA 1.495 56.272 54.840 -0.105 0.000 0.749 492 L CB -0.713 41.327 42.059 -0.031 0.000 0.890 492 L HN 0.632 nan 8.230 nan 0.000 0.431 493 R N -2.159 118.257 120.500 -0.141 0.000 2.741 493 R HA 0.493 4.833 4.340 0.000 0.000 0.274 493 R C -1.576 174.631 176.300 -0.154 0.000 1.029 493 R CA -0.943 55.084 56.100 -0.120 0.000 0.880 493 R CB 1.638 31.894 30.300 -0.074 0.000 1.264 493 R HN -0.270 nan 8.270 nan 0.000 0.465 494 V N 2.743 122.578 119.914 -0.132 0.000 2.348 494 V HA 0.181 4.301 4.120 0.000 0.000 0.270 494 V C 1.297 177.267 176.094 -0.206 0.000 1.037 494 V CA -0.420 61.797 62.300 -0.138 0.000 0.872 494 V CB 1.025 32.792 31.823 -0.093 0.000 1.002 494 V HN 0.634 nan 8.190 nan 0.000 0.464 495 L N 2.929 123.963 121.223 -0.315 0.000 2.109 495 L HA 0.150 4.490 4.340 0.000 0.000 0.207 495 L C 0.819 177.380 176.870 -0.514 0.000 1.086 495 L CA 1.030 55.466 54.840 -0.674 0.000 0.760 495 L CB 0.155 41.553 42.059 -1.103 0.000 0.910 495 L HN 0.696 nan 8.230 nan 0.000 0.437 496 E N 0.432 120.514 120.200 -0.197 0.000 2.406 496 E HA 0.148 4.498 4.350 0.000 0.000 0.297 496 E C -1.965 174.673 176.600 0.064 0.000 0.917 496 E CA -0.702 55.690 56.400 -0.013 0.000 0.795 496 E CB 0.998 30.760 29.700 0.103 0.000 1.285 496 E HN 0.136 nan 8.360 nan 0.000 0.400 497 D N 2.831 123.246 120.400 0.025 0.000 2.502 497 D HA 0.248 4.888 4.640 0.000 0.000 0.249 497 D C -0.510 175.802 176.300 0.021 0.000 1.092 497 D CA -0.772 53.230 54.000 0.003 0.000 0.839 497 D CB 1.114 41.902 40.800 -0.020 0.000 1.264 497 D HN 0.384 nan 8.370 nan 0.000 0.511 498 N N 0.725 119.431 118.700 0.010 0.000 2.926 498 N HA -0.051 4.689 4.740 0.000 0.000 0.284 498 N C 1.491 177.005 175.510 0.007 0.000 1.303 498 N CA 0.081 53.145 53.050 0.024 0.000 1.062 498 N CB 0.114 38.606 38.487 0.010 0.000 1.389 498 N HN 0.454 nan 8.380 nan 0.000 0.538 499 S N -0.375 115.330 115.700 0.009 0.000 2.372 499 S HA -0.328 4.142 4.470 0.000 0.000 0.227 499 S C 2.157 176.773 174.600 0.025 0.000 1.044 499 S CA 1.109 59.314 58.200 0.007 0.000 1.050 499 S CB -0.520 62.687 63.200 0.010 0.000 0.901 499 S HN 0.431 nan 8.310 nan 0.000 0.447 500 A N 2.302 125.149 122.820 0.044 0.000 1.851 500 A HA -0.014 4.306 4.320 0.000 0.000 0.216 500 A C 2.333 179.965 177.584 0.081 0.000 1.195 500 A CA 1.839 53.914 52.037 0.063 0.000 0.622 500 A CB -1.132 17.912 19.000 0.073 0.000 0.831 500 A HN 0.616 nan 8.150 nan 0.000 0.444 501 L N 0.238 121.514 121.223 0.089 0.000 2.079 501 L HA -0.200 4.140 4.340 0.000 0.000 0.210 501 L C 2.058 178.966 176.870 0.063 0.000 1.081 501 L CA 2.799 57.709 54.840 0.116 0.000 0.752 501 L CB -0.613 41.513 42.059 0.111 0.000 0.896 501 L HN 0.543 nan 8.230 nan 0.000 0.433 502 D N 0.028 120.436 120.400 0.014 0.000 2.092 502 D HA -0.273 4.367 4.640 0.000 0.000 0.193 502 D C 2.158 178.463 176.300 0.007 0.000 0.994 502 D CA 2.230 56.218 54.000 -0.019 0.000 0.828 502 D CB 0.238 41.018 40.800 -0.034 0.000 0.963 502 D HN 0.445 nan 8.370 nan 0.000 0.450 503 K N 0.651 121.069 120.400 0.030 0.000 2.152 503 K HA -0.102 4.219 4.320 0.000 0.000 0.206 503 K C 2.305 178.945 176.600 0.067 0.000 1.048 503 K CA 1.675 57.988 56.287 0.042 0.000 0.933 503 K CB -0.791 31.737 32.500 0.048 0.000 0.721 503 K HN 0.342 nan 8.250 nan 0.000 0.447 504 M N -0.206 119.456 119.600 0.103 0.000 2.287 504 M HA 0.147 4.627 4.480 0.000 0.000 0.266 504 M C 2.232 178.592 176.300 0.099 0.000 1.079 504 M CA 0.939 56.345 55.300 0.176 0.000 1.146 504 M CB -0.092 32.708 32.600 0.334 0.000 1.374 504 M HN 0.195 nan 8.290 nan 0.000 0.435 505 L N 0.096 121.307 121.223 -0.020 0.000 2.456 505 L HA -0.156 4.184 4.340 0.000 0.000 0.224 505 L C 2.497 179.320 176.870 -0.079 0.000 1.148 505 L CA 0.378 55.122 54.840 -0.160 0.000 0.825 505 L CB -0.662 41.296 42.059 -0.169 0.000 0.937 505 L HN 0.366 nan 8.230 nan 0.000 0.450 506 Q N 0.314 120.103 119.800 -0.019 0.000 2.061 506 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 506 Q C 1.158 177.166 176.000 0.012 0.000 0.984 506 Q CA 1.368 57.169 55.803 -0.003 0.000 0.846 506 Q CB -0.264 28.483 28.738 0.015 0.000 0.902 506 Q HN 0.547 nan 8.270 nan 0.000 0.421 507 D N 0.290 120.712 120.400 0.037 0.000 2.323 507 D HA 0.053 4.693 4.640 0.000 0.000 0.239 507 D C -0.130 176.205 176.300 0.058 0.000 1.129 507 D CA 0.165 54.200 54.000 0.059 0.000 0.865 507 D CB 0.450 41.303 40.800 0.088 0.000 0.913 507 D HN -0.039 nan 8.370 nan 0.000 0.517 508 V N 0.543 120.462 119.914 0.009 0.000 2.789 508 V HA 0.153 4.273 4.120 0.000 0.000 0.311 508 V C 0.257 176.329 176.094 -0.037 0.000 1.073 508 V CA -0.930 61.369 62.300 -0.003 0.000 0.921 508 V CB 2.538 34.314 31.823 -0.078 0.000 1.009 508 V HN -0.176 nan 8.190 nan 0.000 0.426 509 Q N 3.652 123.442 119.800 -0.016 0.000 3.159 509 Q HA 0.257 4.597 4.340 0.000 0.000 0.280 509 Q C -0.196 175.740 176.000 -0.107 0.000 1.403 509 Q CA -0.227 55.534 55.803 -0.069 0.000 0.957 509 Q CB 0.115 28.815 28.738 -0.063 0.000 1.729 509 Q HN 0.543 nan 8.270 nan 0.000 0.551 510 M N 2.696 122.218 119.600 -0.130 0.000 2.252 510 M HA 0.146 4.626 4.480 0.000 0.000 0.333 510 M C -1.815 174.391 176.300 -0.157 0.000 1.111 510 M CA -1.540 53.662 55.300 -0.163 0.000 1.140 510 M CB -0.506 31.998 32.600 -0.160 0.000 1.538 510 M HN 0.232 nan 8.290 nan 0.000 0.448 511 P HA 0.317 nan 4.420 nan 0.000 0.281 511 P C -0.836 176.374 177.300 -0.150 0.000 1.281 511 P CA -0.434 62.563 63.100 -0.170 0.000 0.811 511 P CB 0.798 32.388 31.700 -0.183 0.000 1.154 512 S N -1.017 114.586 115.700 -0.162 0.000 2.747 512 S HA 0.596 5.066 4.470 0.000 0.000 0.300 512 S C -0.457 174.055 174.600 -0.148 0.000 1.121 512 S CA -0.743 57.379 58.200 -0.130 0.000 0.995 512 S CB 1.486 64.616 63.200 -0.116 0.000 1.113 512 S HN 0.538 nan 8.310 nan 0.000 0.547 513 K N 0.643 120.979 120.400 -0.106 0.000 2.578 513 K HA 0.342 4.662 4.320 0.000 0.000 0.250 513 K C -1.333 175.219 176.600 -0.080 0.000 0.955 513 K CA -0.441 55.787 56.287 -0.098 0.000 0.825 513 K CB 1.326 33.789 32.500 -0.062 0.000 1.151 513 K HN 0.717 nan 8.250 nan 0.000 0.432 514 K N 4.503 124.842 120.400 -0.103 0.000 2.156 514 K HA 0.298 4.619 4.320 0.000 0.000 0.271 514 K C -1.265 175.282 176.600 -0.088 0.000 0.995 514 K CA -0.755 55.480 56.287 -0.087 0.000 0.890 514 K CB 0.863 33.303 32.500 -0.100 0.000 1.073 514 K HN 0.420 nan 8.250 nan 0.000 0.454 515 L N 4.772 125.958 121.223 -0.062 0.000 2.417 515 L HA 0.407 4.747 4.340 0.000 0.000 0.259 515 L C -1.183 175.679 176.870 -0.014 0.000 1.023 515 L CA -0.020 54.809 54.840 -0.018 0.000 0.901 515 L CB 0.720 42.846 42.059 0.111 0.000 1.227 515 L HN 0.734 nan 8.230 nan 0.000 0.454 516 D N 2.283 122.435 120.400 -0.413 0.000 2.758 516 D HA 0.561 5.201 4.640 0.000 0.000 0.262 516 D C -1.322 174.562 176.300 -0.693 0.000 1.113 516 D CA -0.026 53.663 54.000 -0.518 0.000 1.114 516 D CB 2.270 42.813 40.800 -0.427 0.000 1.363 516 D HN 0.194 nan 8.370 nan 0.000 0.617 517 F N -0.326 119.277 119.950 -0.579 0.000 2.613 517 F HA 0.584 5.111 4.527 0.000 0.000 0.310 517 F C -1.408 174.477 175.800 0.142 0.000 1.085 517 F CA -0.983 56.801 58.000 -0.359 0.000 0.945 517 F CB 1.018 39.225 39.000 -1.322 0.000 1.298 517 F HN 0.065 nan 8.300 nan 0.000 0.455 518 I N 2.043 122.901 120.570 0.479 0.000 3.100 518 I HA 0.757 4.927 4.170 0.000 0.000 0.312 518 I C -1.281 175.102 176.117 0.443 0.000 1.063 518 I CA -1.516 59.969 61.300 0.309 0.000 1.031 518 I CB 2.235 40.371 38.000 0.227 0.000 1.243 518 I HN 0.724 nan 8.210 nan 0.000 0.483 519 V N 6.060 126.165 119.914 0.318 0.000 2.569 519 V HA 0.548 4.668 4.120 0.000 0.000 0.301 519 V C -1.376 174.879 176.094 0.269 0.000 1.044 519 V CA -0.393 62.106 62.300 0.332 0.000 0.874 519 V CB 1.781 33.764 31.823 0.267 0.000 1.002 519 V HN 0.551 nan 8.190 nan 0.000 0.424 520 L N 5.316 126.761 121.223 0.370 0.000 2.319 520 L HA 0.648 4.988 4.340 0.000 0.000 0.267 520 L C 0.797 177.815 176.870 0.247 0.000 1.011 520 L CA -1.099 53.895 54.840 0.257 0.000 0.818 520 L CB 1.782 43.970 42.059 0.215 0.000 1.316 520 L HN 0.680 nan 8.230 nan 0.000 0.432 521 N N 2.094 120.885 118.700 0.151 0.000 2.685 521 N HA -0.242 4.498 4.740 0.000 0.000 0.251 521 N C -0.401 175.180 175.510 0.118 0.000 1.020 521 N CA 1.461 54.584 53.050 0.121 0.000 0.762 521 N CB -0.795 37.767 38.487 0.125 0.000 0.958 521 N HN 0.777 nan 8.380 nan 0.000 0.539 522 E N -3.001 117.267 120.200 0.113 0.000 2.442 522 E HA -0.190 4.160 4.350 0.000 0.000 0.256 522 E C -0.799 175.837 176.600 0.061 0.000 1.095 522 E CA 0.885 57.336 56.400 0.084 0.000 0.747 522 E CB -1.801 27.933 29.700 0.057 0.000 1.310 522 E HN 0.374 nan 8.360 nan 0.000 0.396 523 T N 0.159 114.758 114.554 0.075 0.000 2.952 523 T HA 0.339 4.689 4.350 0.000 0.000 0.305 523 T C -0.210 174.400 174.700 -0.150 0.000 1.064 523 T CA -0.913 61.140 62.100 -0.079 0.000 1.008 523 T CB 1.569 70.326 68.868 -0.185 0.000 1.078 523 T HN 0.075 nan 8.240 nan 0.000 0.459 524 R N 1.681 122.029 120.500 -0.252 0.000 2.401 524 R HA 0.350 4.690 4.340 0.000 0.000 0.299 524 R C -1.018 175.082 176.300 -0.333 0.000 1.064 524 R CA 0.191 56.135 56.100 -0.261 0.000 1.000 524 R CB 0.250 30.252 30.300 -0.497 0.000 0.973 524 R HN 0.492 nan 8.270 nan 0.000 0.438 525 F N 2.689 122.750 119.950 0.185 0.000 2.577 525 F HA 0.230 4.757 4.527 0.000 0.000 0.344 525 F C -0.426 175.491 175.800 0.196 0.000 1.145 525 F CA -0.863 57.231 58.000 0.157 0.000 0.996 525 F CB 0.895 40.011 39.000 0.194 0.000 1.248 525 F HN 0.428 nan 8.300 nan 0.000 0.447 526 W N 3.759 125.179 121.300 0.200 0.000 2.126 526 W HA 0.404 5.064 4.660 0.000 0.000 0.346 526 W C -0.333 176.337 176.519 0.252 0.000 1.279 526 W CA -0.268 57.229 57.345 0.253 0.000 1.259 526 W CB 0.262 29.799 29.460 0.129 0.000 1.133 526 W HN 0.451 nan 8.180 nan 0.000 0.592 527 Y N -1.109 119.467 120.300 0.460 0.000 2.689 527 Y HA 0.587 5.137 4.550 0.000 0.000 0.333 527 Y C -1.237 174.882 175.900 0.365 0.000 1.208 527 Y CA -1.902 56.473 58.100 0.457 0.000 1.055 527 Y CB 1.053 39.966 38.460 0.755 0.000 1.304 527 Y HN 0.535 nan 8.280 nan 0.000 0.455 528 Q N 2.049 122.069 119.800 0.366 0.000 2.345 528 Q HA 0.744 5.084 4.340 0.000 0.000 0.275 528 Q C -1.908 174.200 176.000 0.180 0.000 1.063 528 Q CA -1.106 54.781 55.803 0.139 0.000 0.819 528 Q CB 3.273 32.077 28.738 0.111 0.000 1.356 528 Q HN 0.835 nan 8.270 nan 0.000 0.418 529 M N 2.653 122.283 119.600 0.051 0.000 2.395 529 M HA 0.493 4.973 4.480 0.000 0.000 0.307 529 M C -1.105 175.119 176.300 -0.126 0.000 1.091 529 M CA -1.026 54.247 55.300 -0.046 0.000 0.919 529 M CB 2.197 34.732 32.600 -0.107 0.000 1.662 529 M HN 0.596 nan 8.290 nan 0.000 0.440 530 I N 4.803 125.286 120.570 -0.145 0.000 2.306 530 I HA 0.363 4.533 4.170 0.000 0.000 0.288 530 I C -0.470 175.470 176.117 -0.295 0.000 1.036 530 I CA -0.350 60.841 61.300 -0.182 0.000 1.221 530 I CB 0.458 38.379 38.000 -0.132 0.000 1.385 530 I HN 0.631 nan 8.210 nan 0.000 0.472 531 L N 8.680 129.667 121.223 -0.393 0.000 2.292 531 L HA 0.398 4.738 4.340 0.000 0.000 0.284 531 L C -1.969 174.649 176.870 -0.420 0.000 1.065 531 L CA -1.734 52.736 54.840 -0.616 0.000 0.806 531 L CB 1.079 42.611 42.059 -0.878 0.000 1.175 531 L HN 0.286 nan 8.230 nan 0.000 0.431 532 P HA 0.134 nan 4.420 nan 0.000 0.271 532 P C -2.341 174.865 177.300 -0.156 0.000 1.218 532 P CA -1.025 61.937 63.100 -0.230 0.000 0.780 532 P CB 0.461 32.052 31.700 -0.182 0.000 0.901 533 P HA -0.258 nan 4.420 nan 0.000 0.252 533 P C 0.780 177.939 177.300 -0.235 0.000 0.811 533 P CA 1.753 64.689 63.100 -0.272 0.000 1.111 533 P CB -0.765 30.733 31.700 -0.337 0.000 0.781 534 H N -1.577 117.528 119.070 0.058 0.000 3.262 534 H HA 0.081 4.637 4.556 0.000 0.000 0.270 534 H C 0.380 175.775 175.328 0.112 0.000 1.431 534 H CA -0.436 55.651 56.048 0.065 0.000 1.237 534 H CB -1.866 27.922 29.762 0.044 0.000 1.443 534 H HN 0.103 nan 8.280 nan 0.000 0.609 535 F N 2.826 122.766 119.950 -0.018 0.000 2.548 535 F HA -0.111 4.416 4.527 0.000 0.000 0.403 535 F C 0.315 176.126 175.800 0.020 0.000 1.004 535 F CA -0.213 57.743 58.000 -0.073 0.000 1.177 535 F CB 0.297 39.142 39.000 -0.258 0.000 0.974 535 F HN 0.159 nan 8.300 nan 0.000 0.541 536 D N 5.691 125.849 120.400 -0.404 0.000 2.454 536 D HA 0.187 4.827 4.640 0.000 0.000 0.247 536 D C 0.648 176.596 176.300 -0.588 0.000 1.129 536 D CA -0.482 53.278 54.000 -0.400 0.000 0.877 536 D CB 1.025 41.759 40.800 -0.111 0.000 1.082 536 D HN 0.602 nan 8.370 nan 0.000 0.537 537 K N 1.143 121.089 120.400 -0.756 0.000 2.444 537 K HA -0.153 4.167 4.320 0.000 0.000 0.200 537 K C 1.586 178.129 176.600 -0.094 0.000 1.045 537 K CA 1.416 57.427 56.287 -0.460 0.000 0.934 537 K CB 0.144 32.482 32.500 -0.270 0.000 0.756 537 K HN 0.492 nan 8.250 nan 0.000 0.477 538 S N -0.208 115.425 115.700 -0.111 0.000 2.439 538 S HA 0.018 4.488 4.470 0.000 0.000 0.224 538 S C 0.794 175.369 174.600 -0.042 0.000 1.029 538 S CA 0.062 58.232 58.200 -0.049 0.000 0.946 538 S CB 0.164 63.327 63.200 -0.063 0.000 0.797 538 S HN 0.087 nan 8.310 nan 0.000 0.504 539 K N 0.964 121.317 120.400 -0.079 0.000 2.273 539 K HA 0.349 4.669 4.320 0.000 0.000 0.240 539 K C -0.314 176.219 176.600 -0.113 0.000 1.056 539 K CA -0.266 55.925 56.287 -0.161 0.000 0.910 539 K CB 0.267 32.564 32.500 -0.337 0.000 1.196 539 K HN 0.043 nan 8.250 nan 0.000 0.509 540 K N 1.382 121.632 120.400 -0.251 0.000 2.345 540 K HA 0.326 4.646 4.320 0.000 0.000 0.255 540 K C -1.238 175.200 176.600 -0.269 0.000 0.934 540 K CA -0.513 55.703 56.287 -0.118 0.000 0.801 540 K CB 1.322 33.767 32.500 -0.092 0.000 1.137 540 K HN 0.420 nan 8.250 nan 0.000 0.424 541 Y N 1.725 122.057 120.300 0.052 0.000 2.562 541 Y HA 0.390 4.940 4.550 0.000 0.000 0.343 541 Y C -2.002 173.828 175.900 -0.118 0.000 1.025 541 Y CA -2.394 55.701 58.100 -0.010 0.000 1.082 541 Y CB 1.402 39.910 38.460 0.078 0.000 1.264 541 Y HN 0.412 nan 8.280 nan 0.000 0.478 542 P HA 0.206 nan 4.420 nan 0.000 0.278 542 P C -1.257 175.927 177.300 -0.193 0.000 1.238 542 P CA -0.215 62.627 63.100 -0.430 0.000 0.794 542 P CB 1.804 32.813 31.700 -1.152 0.000 0.955 543 L N 3.409 124.584 121.223 -0.079 0.000 2.346 543 L HA 0.624 4.964 4.340 0.000 0.000 0.274 543 L C -1.249 175.797 176.870 0.294 0.000 1.007 543 L CA -0.912 53.986 54.840 0.097 0.000 0.818 543 L CB 1.499 43.609 42.059 0.085 0.000 1.284 543 L HN 0.203 nan 8.230 nan 0.000 0.424 544 L N 5.516 126.911 121.223 0.287 0.000 2.381 544 L HA 0.624 4.964 4.340 0.000 0.000 0.274 544 L C -1.338 175.764 176.870 0.388 0.000 0.988 544 L CA -0.279 54.791 54.840 0.383 0.000 0.824 544 L CB 1.571 43.818 42.059 0.313 0.000 1.263 544 L HN 0.419 nan 8.230 nan 0.000 0.410 545 I N 3.817 124.670 120.570 0.471 0.000 2.353 545 I HA 0.325 4.495 4.170 0.000 0.000 0.293 545 I C -0.146 176.228 176.117 0.429 0.000 0.992 545 I CA -0.239 61.324 61.300 0.437 0.000 1.268 545 I CB 1.363 39.628 38.000 0.443 0.000 1.387 545 I HN 0.615 nan 8.210 nan 0.000 0.478 546 D N 6.119 126.732 120.400 0.354 0.000 2.198 546 D HA 0.500 5.140 4.640 0.000 0.000 0.245 546 D C -0.883 175.487 176.300 0.117 0.000 1.079 546 D CA -0.134 53.992 54.000 0.210 0.000 0.854 546 D CB 1.971 42.956 40.800 0.308 0.000 1.148 546 D HN 0.187 nan 8.370 nan 0.000 0.456 547 V N 3.643 123.529 119.914 -0.047 0.000 3.001 547 V HA 0.414 4.534 4.120 0.000 0.000 0.314 547 V C -0.374 175.818 176.094 0.163 0.000 1.099 547 V CA -0.733 61.626 62.300 0.099 0.000 0.989 547 V CB 1.835 33.725 31.823 0.111 0.000 1.040 547 V HN 0.641 nan 8.190 nan 0.000 0.434 548 Y N 1.790 122.163 120.300 0.122 0.000 3.065 548 Y HA 0.555 5.105 4.550 0.000 0.000 0.135 548 Y C 1.475 177.497 175.900 0.203 0.000 0.909 548 Y CA 1.069 59.264 58.100 0.158 0.000 1.898 548 Y CB -0.160 38.367 38.460 0.111 0.000 1.298 548 Y HN 1.130 nan 8.280 nan 0.000 0.255 549 A N 0.958 123.929 122.820 0.251 0.000 2.861 549 A HA -0.116 4.204 4.320 0.000 0.000 0.261 549 A C 0.922 178.409 177.584 -0.162 0.000 1.351 549 A CA 1.324 53.412 52.037 0.084 0.000 0.904 549 A CB -2.397 16.750 19.000 0.246 0.000 1.076 549 A HN 1.171 nan 8.150 nan 0.000 0.729 550 G N -1.062 107.425 108.800 -0.522 0.000 2.562 550 G HA2 0.528 4.488 3.960 0.000 0.000 0.275 550 G HA3 0.528 4.488 3.960 0.000 0.000 0.275 550 G C -2.366 172.127 174.900 -0.679 0.000 1.196 550 G CA -1.151 43.233 45.100 -1.193 0.000 0.908 550 G HN 0.252 nan 8.290 nan 0.000 0.524 551 P HA 0.028 nan 4.420 nan 0.000 0.261 551 P C 0.603 177.726 177.300 -0.296 0.000 1.173 551 P CA 0.181 62.995 63.100 -0.477 0.000 0.760 551 P CB 0.533 31.615 31.700 -1.030 0.000 0.783 552 C N 2.586 121.727 119.300 -0.266 0.000 4.331 552 C HA -0.148 4.312 4.460 0.000 0.000 0.293 552 C C 0.905 175.728 174.990 -0.278 0.000 1.436 552 C CA 1.167 59.964 59.018 -0.369 0.000 1.993 552 C CB -2.744 24.640 27.740 -0.593 0.000 1.266 552 C HN 0.783 nan 8.230 nan 0.000 0.795 553 S N -0.062 115.421 115.700 -0.362 0.000 2.646 553 S HA 0.655 5.125 4.470 0.000 0.000 0.276 553 S C -0.680 173.806 174.600 -0.190 0.000 1.222 553 S CA -0.226 57.657 58.200 -0.529 0.000 1.014 553 S CB 1.847 64.208 63.200 -1.399 0.000 0.991 553 S HN 0.741 nan 8.310 nan 0.000 0.533 554 Q N 0.209 120.002 119.800 -0.011 0.000 2.406 554 Q HA 0.318 4.658 4.340 0.000 0.000 0.244 554 Q C -0.645 175.451 176.000 0.159 0.000 0.884 554 Q CA -0.619 55.261 55.803 0.130 0.000 0.813 554 Q CB 1.002 29.915 28.738 0.293 0.000 1.368 554 Q HN 0.691 nan 8.270 nan 0.000 0.439 555 K N 0.804 121.296 120.400 0.153 0.000 2.348 555 K HA 0.270 4.590 4.320 0.000 0.000 0.194 555 K C 0.166 176.862 176.600 0.160 0.000 1.052 555 K CA 0.445 56.841 56.287 0.181 0.000 1.004 555 K CB 1.039 33.669 32.500 0.217 0.000 0.873 555 K HN 0.483 nan 8.250 nan 0.000 0.523 556 A N 3.249 126.168 122.820 0.165 0.000 2.774 556 A HA 0.273 4.593 4.320 0.000 0.000 0.326 556 A C -0.714 176.934 177.584 0.108 0.000 1.478 556 A CA -0.475 51.663 52.037 0.168 0.000 1.099 556 A CB -0.521 18.628 19.000 0.249 0.000 1.148 556 A HN 0.274 nan 8.150 nan 0.000 0.519 557 D N 0.014 120.447 120.400 0.055 0.000 2.566 557 D HA 0.561 5.201 4.640 0.000 0.000 0.254 557 D C 0.054 176.331 176.300 -0.040 0.000 1.090 557 D CA -0.120 53.884 54.000 0.007 0.000 1.034 557 D CB 1.414 42.200 40.800 -0.022 0.000 1.434 557 D HN 0.144 nan 8.370 nan 0.000 0.509 558 A N -0.300 122.503 122.820 -0.028 0.000 2.734 558 A HA 0.620 4.940 4.320 0.000 0.000 0.279 558 A C 0.386 177.896 177.584 -0.124 0.000 1.386 558 A CA -0.070 51.956 52.037 -0.018 0.000 0.987 558 A CB -1.195 17.850 19.000 0.075 0.000 1.041 558 A HN 0.699 nan 8.150 nan 0.000 0.569 559 A N -0.327 122.309 122.820 -0.306 0.000 2.303 559 A HA 0.642 4.962 4.320 0.000 0.000 0.317 559 A C -0.467 177.061 177.584 -0.094 0.000 1.149 559 A CA -0.530 51.313 52.037 -0.323 0.000 0.822 559 A CB 0.259 18.901 19.000 -0.597 0.000 1.131 559 A HN 0.600 nan 8.150 nan 0.000 0.493 560 F N 1.923 121.792 119.950 -0.134 0.000 2.427 560 F HA 0.617 5.144 4.527 0.000 0.000 0.352 560 F C 0.500 176.270 175.800 -0.050 0.000 1.100 560 F CA 0.166 58.117 58.000 -0.082 0.000 1.191 560 F CB 0.579 39.538 39.000 -0.067 0.000 1.128 560 F HN 0.597 nan 8.300 nan 0.000 0.533 561 R N 6.062 126.007 120.500 -0.924 0.000 2.626 561 R HA 0.479 4.819 4.340 0.000 0.000 0.274 561 R C -1.769 174.118 176.300 -0.688 0.000 1.031 561 R CA -0.939 54.788 56.100 -0.622 0.000 0.898 561 R CB 1.973 32.126 30.300 -0.246 0.000 1.222 561 R HN 0.672 nan 8.270 nan 0.000 0.455 562 L N 4.423 125.430 121.223 -0.359 0.000 2.337 562 L HA 0.400 4.740 4.340 0.000 0.000 0.269 562 L C -0.658 176.284 176.870 0.120 0.000 1.018 562 L CA -0.682 54.061 54.840 -0.161 0.000 0.876 562 L CB 0.632 42.700 42.059 0.014 0.000 1.236 562 L HN 0.726 nan 8.230 nan 0.000 0.436 563 N N 0.254 118.985 118.700 0.053 0.000 3.294 563 N HA 0.205 4.945 4.740 0.000 0.000 0.355 563 N C 0.292 175.562 175.510 -0.399 0.000 1.497 563 N CA -0.852 52.196 53.050 -0.003 0.000 0.707 563 N CB 0.187 38.705 38.487 0.052 0.000 1.732 563 N HN 0.308 nan 8.380 nan 0.000 0.640 564 W N 0.487 121.204 121.300 -0.970 0.000 2.381 564 W HA 0.209 4.869 4.660 0.000 0.000 0.301 564 W C 2.031 178.438 176.519 -0.187 0.000 1.205 564 W CA 2.519 59.362 57.345 -0.836 0.000 1.285 564 W CB -1.022 28.040 29.460 -0.663 0.000 1.133 564 W HN 0.667 nan 8.180 nan 0.000 0.521 565 A N -0.282 122.494 122.820 -0.074 0.000 2.032 565 A HA -0.232 4.088 4.320 0.000 0.000 0.221 565 A C 1.903 179.400 177.584 -0.145 0.000 1.165 565 A CA 2.479 54.427 52.037 -0.149 0.000 0.645 565 A CB -1.202 17.804 19.000 0.010 0.000 0.807 565 A HN 0.335 nan 8.150 nan 0.000 0.453 566 T N -1.582 112.932 114.554 -0.066 0.000 2.701 566 T HA -0.151 4.199 4.350 0.000 0.000 0.263 566 T C 1.793 176.564 174.700 0.118 0.000 1.040 566 T CA 1.559 63.641 62.100 -0.030 0.000 1.147 566 T CB -0.488 68.310 68.868 -0.117 0.000 0.865 566 T HN 0.670 nan 8.240 nan 0.000 0.426 567 Y N 2.231 122.616 120.300 0.141 0.000 2.128 567 Y HA -0.136 4.414 4.550 0.000 0.000 0.284 567 Y C 2.009 177.854 175.900 -0.091 0.000 1.154 567 Y CA 1.151 59.299 58.100 0.080 0.000 1.149 567 Y CB -0.762 37.695 38.460 -0.005 0.000 0.976 567 Y HN 0.104 nan 8.280 nan 0.000 0.505 568 L N 0.009 120.995 121.223 -0.396 0.000 2.081 568 L HA -0.299 4.041 4.340 0.000 0.000 0.212 568 L C 2.728 179.380 176.870 -0.364 0.000 1.080 568 L CA 1.464 55.981 54.840 -0.537 0.000 0.754 568 L CB -0.960 40.752 42.059 -0.579 0.000 0.893 568 L HN 0.485 nan 8.230 nan 0.000 0.433 569 A N -1.439 121.228 122.820 -0.255 0.000 1.871 569 A HA -0.134 4.186 4.320 0.000 0.000 0.211 569 A C 2.466 179.952 177.584 -0.164 0.000 1.207 569 A CA 1.260 53.178 52.037 -0.198 0.000 0.620 569 A CB -0.590 18.294 19.000 -0.193 0.000 0.860 569 A HN 0.288 nan 8.150 nan 0.000 0.450 570 S N -0.858 114.769 115.700 -0.122 0.000 2.383 570 S HA -0.135 4.335 4.470 0.000 0.000 0.229 570 S C 1.753 176.312 174.600 -0.068 0.000 1.030 570 S CA 2.424 60.587 58.200 -0.062 0.000 1.002 570 S CB -0.287 62.946 63.200 0.056 0.000 0.829 570 S HN 0.578 nan 8.310 nan 0.000 0.467 571 T N 0.377 114.829 114.554 -0.169 0.000 2.978 571 T HA 0.250 4.600 4.350 0.000 0.000 0.248 571 T C 1.174 175.737 174.700 -0.228 0.000 1.018 571 T CA 0.032 62.025 62.100 -0.178 0.000 1.026 571 T CB 0.137 68.903 68.868 -0.169 0.000 1.032 571 T HN 0.265 nan 8.240 nan 0.000 0.485 572 E N 1.537 121.529 120.200 -0.347 0.000 2.481 572 E HA 0.182 4.532 4.350 0.000 0.000 0.198 572 E C 0.030 176.573 176.600 -0.094 0.000 1.027 572 E CA -0.083 56.186 56.400 -0.219 0.000 0.900 572 E CB 0.024 29.554 29.700 -0.284 0.000 0.993 572 E HN 0.279 nan 8.360 nan 0.000 0.482 573 N N 0.946 119.597 118.700 -0.082 0.000 2.725 573 N HA -0.198 4.542 4.740 0.000 0.000 0.251 573 N C -0.633 174.905 175.510 0.047 0.000 1.031 573 N CA 0.748 53.815 53.050 0.028 0.000 0.720 573 N CB -1.387 37.180 38.487 0.134 0.000 0.930 573 N HN 0.291 nan 8.380 nan 0.000 0.543 574 I N 0.709 121.241 120.570 -0.062 0.000 2.493 574 I HA 0.390 4.560 4.170 0.000 0.000 0.298 574 I C 0.883 176.936 176.117 -0.107 0.000 0.998 574 I CA -0.762 60.505 61.300 -0.055 0.000 1.137 574 I CB 1.772 39.755 38.000 -0.028 0.000 1.310 574 I HN -0.075 nan 8.210 nan 0.000 0.445 575 I N 5.895 126.411 120.570 -0.090 0.000 2.325 575 I HA 0.203 4.373 4.170 0.000 0.000 0.291 575 I C -0.444 175.639 176.117 -0.057 0.000 1.019 575 I CA -0.520 60.693 61.300 -0.146 0.000 1.302 575 I CB 1.292 39.204 38.000 -0.148 0.000 1.401 575 I HN 0.195 nan 8.210 nan 0.000 0.485 576 V N 6.735 126.609 119.914 -0.067 0.000 2.370 576 V HA 0.656 4.776 4.120 0.000 0.000 0.279 576 V C 0.319 176.443 176.094 0.049 0.000 1.029 576 V CA -0.373 61.947 62.300 0.032 0.000 0.870 576 V CB 1.163 33.000 31.823 0.024 0.000 0.984 576 V HN 0.840 nan 8.190 nan 0.000 0.451 577 A N 4.069 126.967 122.820 0.129 0.000 2.454 577 A HA 0.950 5.270 4.320 0.000 0.000 0.302 577 A C -0.377 177.400 177.584 0.322 0.000 1.079 577 A CA -0.545 51.587 52.037 0.159 0.000 0.731 577 A CB 2.004 20.987 19.000 -0.028 0.000 1.299 577 A HN 0.701 nan 8.150 nan 0.000 0.413 578 S N -0.160 115.771 115.700 0.385 0.000 2.570 578 S HA 0.798 5.268 4.470 0.000 0.000 0.286 578 S C -1.406 173.549 174.600 0.592 0.000 1.099 578 S CA -0.355 58.098 58.200 0.422 0.000 0.913 578 S CB 1.460 64.845 63.200 0.309 0.000 1.085 578 S HN 0.906 nan 8.310 nan 0.000 0.480 579 F N 1.833 121.999 119.950 0.360 0.000 2.617 579 F HA 0.365 4.892 4.527 0.000 0.000 0.325 579 F C -1.526 174.440 175.800 0.276 0.000 1.179 579 F CA -0.654 57.567 58.000 0.369 0.000 0.965 579 F CB 1.178 40.341 39.000 0.272 0.000 1.232 579 F HN 0.414 nan 8.300 nan 0.000 0.461 580 D N 5.095 125.369 120.400 -0.210 0.000 2.374 580 D HA 0.305 4.945 4.640 0.000 0.000 0.240 580 D C 0.494 176.612 176.300 -0.304 0.000 1.229 580 D CA 0.332 54.256 54.000 -0.126 0.000 0.895 580 D CB 1.432 42.242 40.800 0.018 0.000 1.046 580 D HN 0.749 nan 8.370 nan 0.000 0.498 581 G N 1.746 110.485 108.800 -0.101 0.000 2.695 581 G HA2 0.261 4.221 3.960 0.000 0.000 0.213 581 G HA3 0.261 4.221 3.960 0.000 0.000 0.213 581 G C 0.260 175.228 174.900 0.114 0.000 1.406 581 G CA -0.678 44.404 45.100 -0.029 0.000 1.049 581 G HN 0.307 nan 8.290 nan 0.000 0.573 582 R N -0.641 119.890 120.500 0.050 0.000 2.679 582 R HA 0.389 4.729 4.340 0.000 0.000 0.268 582 R C 0.786 177.132 176.300 0.078 0.000 1.044 582 R CA 1.171 57.355 56.100 0.140 0.000 1.105 582 R CB 0.144 30.494 30.300 0.083 0.000 0.989 582 R HN 1.112 nan 8.270 nan 0.000 0.447 583 G N 1.594 110.434 108.800 0.067 0.000 2.540 583 G HA2 -0.196 3.764 3.960 0.000 0.000 0.260 583 G HA3 -0.196 3.764 3.960 0.000 0.000 0.260 583 G C -0.333 174.542 174.900 -0.042 0.000 0.993 583 G CA 0.332 45.445 45.100 0.022 0.000 1.327 583 G HN 0.873 nan 8.290 nan 0.000 0.485 584 S N -0.042 115.616 115.700 -0.069 0.000 2.655 584 S HA 0.877 5.347 4.470 0.000 0.000 0.263 584 S C 1.256 175.749 174.600 -0.179 0.000 1.091 584 S CA 0.421 58.541 58.200 -0.133 0.000 0.865 584 S CB 0.544 63.702 63.200 -0.071 0.000 1.146 584 S HN 2.635 nan 8.310 nan 0.000 0.482 585 G N 0.407 109.098 108.800 -0.183 0.000 2.523 585 G HA2 -0.154 3.806 3.960 0.000 0.000 0.734 585 G HA3 -0.154 3.806 3.960 0.000 0.000 0.734 585 G C -0.569 174.115 174.900 -0.360 0.000 1.344 585 G CA 0.776 45.787 45.100 -0.150 0.000 0.902 585 G HN 1.430 nan 8.290 nan 0.000 0.527 586 Y N 0.324 120.594 120.300 -0.050 0.000 2.850 586 Y HA 0.520 5.070 4.550 0.000 0.000 0.360 586 Y C 1.345 177.210 175.900 -0.059 0.000 1.174 586 Y CA -0.349 57.717 58.100 -0.057 0.000 1.373 586 Y CB 0.610 39.068 38.460 -0.003 0.000 1.487 586 Y HN 0.457 nan 8.280 nan 0.000 0.553 587 Q N 0.744 120.522 119.800 -0.037 0.000 2.112 587 Q HA 0.451 4.791 4.340 0.000 0.000 0.222 587 Q C 0.445 176.271 176.000 -0.290 0.000 0.798 587 Q CA -0.112 55.661 55.803 -0.050 0.000 1.060 587 Q CB 1.567 30.274 28.738 -0.051 0.000 1.184 587 Q HN 0.673 nan 8.270 nan 0.000 0.475 588 G N 0.729 109.249 108.800 -0.467 0.000 2.650 588 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 588 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 588 G C -0.548 173.969 174.900 -0.639 0.000 1.205 588 G CA -0.619 43.960 45.100 -0.869 0.000 0.781 588 G HN 0.078 nan 8.290 nan 0.000 0.648 589 D N 0.165 120.139 120.400 -0.711 0.000 2.178 589 D HA -0.079 4.561 4.640 0.000 0.000 0.201 589 D C 2.224 178.189 176.300 -0.558 0.000 0.980 589 D CA 1.324 54.846 54.000 -0.797 0.000 0.842 589 D CB -0.002 40.186 40.800 -1.019 0.000 0.948 589 D HN 0.620 nan 8.370 nan 0.000 0.472 590 K N 0.594 120.735 120.400 -0.432 0.000 2.059 590 K HA -0.181 4.139 4.320 0.000 0.000 0.212 590 K C 2.119 178.625 176.600 -0.157 0.000 1.050 590 K CA 1.102 57.240 56.287 -0.248 0.000 0.927 590 K CB -0.151 32.229 32.500 -0.201 0.000 0.714 590 K HN 0.132 nan 8.250 nan 0.000 0.447 591 I N 0.335 120.800 120.570 -0.176 0.000 2.193 591 I HA -0.259 3.911 4.170 0.000 0.000 0.240 591 I C 2.700 178.790 176.117 -0.046 0.000 1.084 591 I CA 1.019 62.282 61.300 -0.061 0.000 1.365 591 I CB -0.164 37.797 38.000 -0.066 0.000 1.064 591 I HN 0.333 nan 8.210 nan 0.000 0.410 592 M N 0.351 119.868 119.600 -0.138 0.000 2.065 592 M HA -0.268 4.212 4.480 0.000 0.000 0.259 592 M C 2.210 178.572 176.300 0.104 0.000 1.069 592 M CA 2.021 57.279 55.300 -0.071 0.000 1.110 592 M CB -0.361 32.120 32.600 -0.199 0.000 1.328 592 M HN 0.224 nan 8.290 nan 0.000 0.405 593 H N 0.277 119.211 119.070 -0.228 0.000 2.559 593 H HA 0.162 4.718 4.556 0.000 0.000 0.273 593 H C 1.914 177.247 175.328 0.010 0.000 1.000 593 H CA 0.795 56.754 56.048 -0.150 0.000 1.195 593 H CB -0.822 28.768 29.762 -0.286 0.000 1.368 593 H HN 0.550 nan 8.280 nan 0.000 0.592 594 A N 0.484 123.370 122.820 0.110 0.000 2.084 594 A HA -0.153 4.167 4.320 0.000 0.000 0.221 594 A C 2.253 179.887 177.584 0.083 0.000 1.161 594 A CA 1.286 53.372 52.037 0.081 0.000 0.653 594 A CB -0.599 18.443 19.000 0.071 0.000 0.802 594 A HN 0.426 nan 8.150 nan 0.000 0.457 595 I N -1.057 119.576 120.570 0.106 0.000 3.427 595 I HA -0.038 4.132 4.170 0.000 0.000 0.288 595 I C 0.661 176.819 176.117 0.068 0.000 1.249 595 I CA -0.257 61.080 61.300 0.062 0.000 1.421 595 I CB -0.319 37.693 38.000 0.019 0.000 1.086 595 I HN 0.311 nan 8.210 nan 0.000 0.448 596 N N 2.664 121.472 118.700 0.179 0.000 2.052 596 N HA -0.224 4.516 4.740 0.000 0.000 0.283 596 N C 0.593 176.152 175.510 0.080 0.000 1.272 596 N CA 1.005 54.167 53.050 0.188 0.000 0.810 596 N CB 0.293 38.907 38.487 0.213 0.000 1.042 596 N HN 0.053 nan 8.380 nan 0.000 0.483 597 K N -0.305 120.119 120.400 0.040 0.000 3.529 597 K HA -0.254 4.066 4.320 0.000 0.000 0.313 597 K C -0.575 176.040 176.600 0.025 0.000 1.316 597 K CA 1.684 58.003 56.287 0.054 0.000 0.988 597 K CB -1.279 31.300 32.500 0.133 0.000 1.252 597 K HN 0.905 nan 8.250 nan 0.000 0.438 598 R N -0.144 120.305 120.500 -0.084 0.000 2.734 598 R HA 0.419 4.759 4.340 0.000 0.000 0.242 598 R C -0.006 176.212 176.300 -0.138 0.000 1.617 598 R CA -0.529 55.447 56.100 -0.206 0.000 1.572 598 R CB -0.298 29.766 30.300 -0.394 0.000 1.477 598 R HN -0.065 nan 8.270 nan 0.000 0.707 599 L N 0.964 122.099 121.223 -0.146 0.000 2.473 599 L HA 0.404 4.744 4.340 0.000 0.000 0.265 599 L C 1.316 178.282 176.870 0.160 0.000 1.243 599 L CA 0.811 55.640 54.840 -0.019 0.000 0.822 599 L CB 0.368 42.300 42.059 -0.211 0.000 1.101 599 L HN 0.880 nan 8.230 nan 0.000 0.507 600 G N 0.398 109.386 108.800 0.314 0.000 2.160 600 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 600 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 600 G C 0.295 175.229 174.900 0.056 0.000 1.008 600 G CA 0.453 45.682 45.100 0.216 0.000 0.724 600 G HN 0.708 nan 8.290 nan 0.000 0.514 601 T N -0.434 114.145 114.554 0.042 0.000 2.233 601 T HA 0.369 4.719 4.350 0.000 0.000 0.172 601 T C 2.300 177.002 174.700 0.003 0.000 0.740 601 T CA 0.235 62.333 62.100 -0.003 0.000 1.172 601 T CB -0.208 68.638 68.868 -0.037 0.000 2.941 601 T HN 0.091 nan 8.240 nan 0.000 0.398 602 L N 2.087 123.313 121.223 0.004 0.000 2.043 602 L HA -0.144 4.196 4.340 0.000 0.000 0.212 602 L C 2.924 179.805 176.870 0.019 0.000 1.075 602 L CA 1.763 56.607 54.840 0.006 0.000 0.752 602 L CB -0.975 41.092 42.059 0.013 0.000 0.891 602 L HN 0.592 nan 8.230 nan 0.000 0.432 603 E N 1.001 121.232 120.200 0.052 0.000 2.153 603 E HA -0.162 4.188 4.350 0.000 0.000 0.194 603 E C 2.060 178.707 176.600 0.079 0.000 0.988 603 E CA 1.755 58.206 56.400 0.085 0.000 0.811 603 E CB -0.744 29.040 29.700 0.140 0.000 0.746 603 E HN 0.403 nan 8.360 nan 0.000 0.466 604 V N 1.725 121.665 119.914 0.044 0.000 2.239 604 V HA -0.233 3.887 4.120 0.000 0.000 0.242 604 V C 2.469 178.549 176.094 -0.023 0.000 1.038 604 V CA 2.110 64.404 62.300 -0.011 0.000 1.002 604 V CB -0.860 30.920 31.823 -0.072 0.000 0.641 604 V HN 0.181 nan 8.190 nan 0.000 0.449 605 E N 0.523 120.706 120.200 -0.030 0.000 2.055 605 E HA -0.323 4.027 4.350 0.000 0.000 0.209 605 E C 1.937 178.500 176.600 -0.062 0.000 1.036 605 E CA 2.033 58.408 56.400 -0.042 0.000 0.849 605 E CB -0.373 29.303 29.700 -0.040 0.000 0.767 605 E HN 0.596 nan 8.360 nan 0.000 0.461 606 D N -0.060 120.302 120.400 -0.062 0.000 2.228 606 D HA -0.190 4.450 4.640 0.000 0.000 0.203 606 D C 1.891 178.113 176.300 -0.130 0.000 0.988 606 D CA 1.039 54.975 54.000 -0.107 0.000 0.864 606 D CB -0.235 40.538 40.800 -0.045 0.000 0.928 606 D HN 0.080 nan 8.370 nan 0.000 0.469 607 Q N -0.156 119.634 119.800 -0.017 0.000 2.167 607 Q HA 0.024 4.364 4.340 0.000 0.000 0.202 607 Q C 2.008 177.996 176.000 -0.021 0.000 0.970 607 Q CA 0.701 56.516 55.803 0.019 0.000 0.855 607 Q CB -0.049 28.732 28.738 0.071 0.000 0.911 607 Q HN 0.363 nan 8.270 nan 0.000 0.438 608 I N -0.214 120.346 120.570 -0.016 0.000 2.193 608 I HA -0.195 3.975 4.170 0.000 0.000 0.240 608 I C 2.119 178.159 176.117 -0.128 0.000 1.084 608 I CA 0.813 62.150 61.300 0.062 0.000 1.365 608 I CB -0.269 37.766 38.000 0.058 0.000 1.064 608 I HN 0.168 nan 8.210 nan 0.000 0.410 609 E N 1.138 121.206 120.200 -0.220 0.000 2.114 609 E HA -0.277 4.073 4.350 0.000 0.000 0.199 609 E C 2.265 178.538 176.600 -0.545 0.000 1.008 609 E CA 1.677 57.885 56.400 -0.321 0.000 0.810 609 E CB -0.321 29.195 29.700 -0.307 0.000 0.739 609 E HN 0.494 nan 8.360 nan 0.000 0.456 610 A N 1.001 123.335 122.820 -0.811 0.000 1.948 610 A HA -0.177 4.143 4.320 0.000 0.000 0.220 610 A C 2.375 179.253 177.584 -1.176 0.000 1.177 610 A CA 2.351 53.591 52.037 -1.328 0.000 0.636 610 A CB -0.509 17.565 19.000 -1.543 0.000 0.815 610 A HN 0.298 nan 8.150 nan 0.000 0.449 611 A N -0.753 121.743 122.820 -0.540 0.000 1.929 611 A HA -0.058 4.262 4.320 0.000 0.000 0.216 611 A C 2.227 179.622 177.584 -0.314 0.000 1.176 611 A CA 1.053 52.914 52.037 -0.294 0.000 0.628 611 A CB -0.375 18.500 19.000 -0.209 0.000 0.816 611 A HN 0.434 nan 8.150 nan 0.000 0.444 612 R N -0.219 120.086 120.500 -0.324 0.000 2.082 612 R HA -0.145 4.195 4.340 0.000 0.000 0.234 612 R C 2.232 178.374 176.300 -0.265 0.000 1.136 612 R CA 1.585 57.533 56.100 -0.253 0.000 0.935 612 R CB -0.761 29.407 30.300 -0.220 0.000 0.842 612 R HN 0.568 nan 8.270 nan 0.000 0.430 613 Q N 0.064 119.639 119.800 -0.375 0.000 2.112 613 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 613 Q C 2.212 178.076 176.000 -0.226 0.000 0.987 613 Q CA 1.517 57.114 55.803 -0.343 0.000 0.858 613 Q CB -0.493 27.952 28.738 -0.487 0.000 0.905 613 Q HN 0.467 nan 8.270 nan 0.000 0.420 614 F N 0.292 120.072 119.950 -0.285 0.000 2.234 614 F HA -0.156 4.371 4.527 0.000 0.000 0.299 614 F C 2.254 177.843 175.800 -0.353 0.000 1.087 614 F CA 0.126 57.942 58.000 -0.306 0.000 1.340 614 F CB -0.082 38.777 39.000 -0.234 0.000 1.031 614 F HN 0.033 nan 8.300 nan 0.000 0.500 615 L N 0.065 121.227 121.223 -0.102 0.000 2.072 615 L HA -0.191 4.149 4.340 0.000 0.000 0.205 615 L C 2.203 178.967 176.870 -0.176 0.000 1.079 615 L CA 1.336 56.080 54.840 -0.159 0.000 0.752 615 L CB -0.591 41.382 42.059 -0.144 0.000 0.906 615 L HN 0.011 nan 8.230 nan 0.000 0.436 616 K N -0.198 120.113 120.400 -0.148 0.000 2.442 616 K HA -0.122 4.198 4.320 0.000 0.000 0.198 616 K C 1.953 178.479 176.600 -0.123 0.000 1.044 616 K CA 1.025 57.240 56.287 -0.119 0.000 0.948 616 K CB -0.063 32.376 32.500 -0.102 0.000 0.762 616 K HN 0.357 nan 8.250 nan 0.000 0.472 617 M N -1.108 118.375 119.600 -0.195 0.000 2.492 617 M HA -0.036 4.444 4.480 0.000 0.000 0.262 617 M C 1.451 177.592 176.300 -0.265 0.000 1.090 617 M CA 1.116 56.288 55.300 -0.214 0.000 1.110 617 M CB 0.299 32.697 32.600 -0.335 0.000 1.407 617 M HN 0.467 nan 8.290 nan 0.000 0.470 618 G N 0.936 109.545 108.800 -0.318 0.000 4.024 618 G HA2 -0.311 3.649 3.960 0.000 0.000 0.206 618 G HA3 -0.311 3.649 3.960 0.000 0.000 0.206 618 G C 0.489 175.298 174.900 -0.151 0.000 1.608 618 G CA 0.094 45.098 45.100 -0.161 0.000 1.221 618 G HN 0.515 nan 8.290 nan 0.000 0.623 619 F N 2.218 122.233 119.950 0.109 0.000 2.717 619 F HA 0.542 5.069 4.527 0.000 0.000 0.296 619 F C 0.455 176.385 175.800 0.216 0.000 1.268 619 F CA 0.112 58.227 58.000 0.192 0.000 1.466 619 F CB -0.501 38.712 39.000 0.355 0.000 1.120 619 F HN 0.192 nan 8.300 nan 0.000 0.596 620 V N 1.096 120.976 119.914 -0.058 0.000 2.448 620 V HA 0.116 4.236 4.120 0.000 0.000 0.295 620 V C -0.231 175.840 176.094 -0.038 0.000 1.025 620 V CA -1.101 61.193 62.300 -0.010 0.000 0.859 620 V CB 1.571 33.328 31.823 -0.110 0.000 0.988 620 V HN 0.060 nan 8.190 nan 0.000 0.431 621 D N 3.398 123.779 120.400 -0.032 0.000 2.398 621 D HA -0.013 4.628 4.640 0.000 0.000 0.250 621 D C 1.590 177.844 176.300 -0.077 0.000 1.287 621 D CA 0.654 54.612 54.000 -0.070 0.000 0.992 621 D CB 1.094 41.833 40.800 -0.103 0.000 1.071 621 D HN 0.725 nan 8.370 nan 0.000 0.514 622 S N 4.054 119.708 115.700 -0.076 0.000 2.428 622 S HA -0.208 4.262 4.470 0.000 0.000 0.240 622 S C 1.347 175.908 174.600 -0.065 0.000 1.036 622 S CA 0.984 59.134 58.200 -0.083 0.000 1.009 622 S CB -0.009 63.143 63.200 -0.080 0.000 0.803 622 S HN 0.315 nan 8.310 nan 0.000 0.486 623 K N 0.642 121.013 120.400 -0.048 0.000 2.437 623 K HA 0.289 4.609 4.320 0.000 0.000 0.198 623 K C 0.110 176.719 176.600 0.015 0.000 1.024 623 K CA 0.115 56.391 56.287 -0.018 0.000 1.148 623 K CB 0.050 32.540 32.500 -0.017 0.000 0.860 623 K HN 0.401 nan 8.250 nan 0.000 0.515 624 R N 0.160 120.658 120.500 -0.003 0.000 2.837 624 R HA 0.212 4.552 4.340 0.000 0.000 0.245 624 R C -1.523 174.820 176.300 0.071 0.000 1.712 624 R CA -0.111 56.020 56.100 0.051 0.000 1.539 624 R CB 1.070 31.257 30.300 -0.189 0.000 1.490 624 R HN -0.215 nan 8.270 nan 0.000 0.667 625 V N 1.418 121.453 119.914 0.203 0.000 2.407 625 V HA 0.801 4.921 4.120 0.000 0.000 0.291 625 V C 0.005 176.331 176.094 0.387 0.000 1.018 625 V CA -0.648 61.769 62.300 0.195 0.000 0.842 625 V CB 1.526 33.284 31.823 -0.109 0.000 0.996 625 V HN 0.600 nan 8.190 nan 0.000 0.426 626 A N 5.116 128.268 122.820 0.554 0.000 2.468 626 A HA 1.025 5.345 4.320 0.000 0.000 0.277 626 A C -0.736 177.220 177.584 0.619 0.000 1.203 626 A CA -0.842 51.509 52.037 0.523 0.000 0.932 626 A CB 1.694 20.867 19.000 0.288 0.000 1.438 626 A HN 0.949 nan 8.150 nan 0.000 0.468 627 I N -0.651 120.195 120.570 0.461 0.000 2.739 627 I HA 0.498 4.668 4.170 0.000 0.000 0.288 627 I C -2.252 174.121 176.117 0.426 0.000 1.582 627 I CA -0.561 60.969 61.300 0.383 0.000 1.035 627 I CB 1.448 39.453 38.000 0.008 0.000 1.432 627 I HN 0.994 nan 8.210 nan 0.000 0.444 628 W N 6.763 128.181 121.300 0.197 0.000 3.075 628 W HA 0.903 5.563 4.660 0.000 0.000 0.334 628 W C -1.281 175.362 176.519 0.206 0.000 1.243 628 W CA -1.147 56.313 57.345 0.192 0.000 1.170 628 W CB 1.055 30.669 29.460 0.257 0.000 1.452 628 W HN 0.828 nan 8.180 nan 0.000 0.572 629 G N 0.282 109.029 108.800 -0.088 0.000 2.646 629 G HA2 0.501 4.461 3.960 0.000 0.000 0.291 629 G HA3 0.501 4.461 3.960 0.000 0.000 0.291 629 G C -2.653 172.156 174.900 -0.151 0.000 1.445 629 G CA -0.704 44.195 45.100 -0.334 0.000 0.814 629 G HN 0.624 nan 8.290 nan 0.000 0.495 630 W N 0.796 121.909 121.300 -0.312 0.000 2.719 630 W HA 0.575 5.235 4.660 0.000 0.000 0.352 630 W C 0.963 177.416 176.519 -0.111 0.000 1.085 630 W CA 0.444 57.677 57.345 -0.187 0.000 1.187 630 W CB 1.778 31.109 29.460 -0.215 0.000 1.417 630 W HN 0.972 nan 8.180 nan 0.000 0.557 631 S N 1.297 117.214 115.700 0.361 0.000 4.108 631 S HA -0.437 4.033 4.470 0.000 0.000 0.550 631 S C 0.960 175.657 174.600 0.161 0.000 1.916 631 S CA 1.891 60.264 58.200 0.288 0.000 4.207 631 S CB -1.680 61.708 63.200 0.312 0.000 0.522 631 S HN 0.758 nan 8.310 nan 0.000 0.534 632 Y N 2.817 123.159 120.300 0.070 0.000 2.193 632 Y HA -0.107 4.443 4.550 0.000 0.000 0.285 632 Y C 2.455 178.511 175.900 0.260 0.000 1.166 632 Y CA 2.127 60.356 58.100 0.216 0.000 1.181 632 Y CB -0.962 37.706 38.460 0.347 0.000 0.976 632 Y HN 0.528 nan 8.280 nan 0.000 0.520 633 G N -0.901 108.113 108.800 0.357 0.000 2.418 633 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 633 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 633 G C 1.867 176.840 174.900 0.121 0.000 1.158 633 G CA 0.695 45.938 45.100 0.239 0.000 0.771 633 G HN 0.563 nan 8.290 nan 0.000 0.545 634 G N -0.365 108.487 108.800 0.086 0.000 2.448 634 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 634 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 634 G C 1.527 176.477 174.900 0.082 0.000 1.127 634 G CA 1.141 46.270 45.100 0.049 0.000 0.766 634 G HN 0.432 nan 8.290 nan 0.000 0.552 635 Y N 1.551 121.799 120.300 -0.087 0.000 2.084 635 Y HA -0.123 4.427 4.550 0.000 0.000 0.279 635 Y C 2.791 178.635 175.900 -0.094 0.000 1.119 635 Y CA 1.538 59.539 58.100 -0.166 0.000 1.101 635 Y CB -0.718 37.524 38.460 -0.363 0.000 0.989 635 Y HN 0.018 nan 8.280 nan 0.000 0.484 636 V N 0.156 119.968 119.914 -0.169 0.000 2.278 636 V HA -0.410 3.710 4.120 0.000 0.000 0.251 636 V C 2.338 178.318 176.094 -0.190 0.000 1.062 636 V CA 2.603 64.766 62.300 -0.229 0.000 1.038 636 V CB -1.612 30.237 31.823 0.043 0.000 0.646 636 V HN 0.537 nan 8.190 nan 0.000 0.447 637 T N 0.195 114.699 114.554 -0.083 0.000 2.624 637 T HA -0.259 4.091 4.350 0.000 0.000 0.268 637 T C 2.121 176.737 174.700 -0.141 0.000 1.041 637 T CA 2.238 64.285 62.100 -0.090 0.000 1.159 637 T CB -0.403 68.488 68.868 0.039 0.000 0.863 637 T HN 0.574 nan 8.240 nan 0.000 0.434 638 S N 1.042 116.698 115.700 -0.072 0.000 2.356 638 S HA -0.023 4.447 4.470 0.000 0.000 0.223 638 S C 2.155 176.677 174.600 -0.129 0.000 1.032 638 S CA 1.046 59.217 58.200 -0.048 0.000 1.005 638 S CB -0.348 62.896 63.200 0.073 0.000 0.867 638 S HN 0.345 nan 8.310 nan 0.000 0.449 639 M N 0.977 120.426 119.600 -0.252 0.000 2.202 639 M HA -0.068 4.412 4.480 0.000 0.000 0.262 639 M C 2.114 178.266 176.300 -0.247 0.000 1.063 639 M CA 1.063 56.194 55.300 -0.282 0.000 1.097 639 M CB -1.115 31.180 32.600 -0.508 0.000 1.382 639 M HN 0.207 nan 8.290 nan 0.000 0.413 640 V N 0.401 120.141 119.914 -0.290 0.000 2.283 640 V HA -0.218 3.902 4.120 0.000 0.000 0.243 640 V C 2.432 178.310 176.094 -0.360 0.000 1.039 640 V CA 1.246 63.354 62.300 -0.320 0.000 1.016 640 V CB -0.642 30.903 31.823 -0.464 0.000 0.650 640 V HN 0.394 nan 8.190 nan 0.000 0.449 641 L N 0.738 121.683 121.223 -0.464 0.000 2.187 641 L HA -0.123 4.217 4.340 0.000 0.000 0.213 641 L C 2.269 178.667 176.870 -0.787 0.000 1.100 641 L CA 1.640 56.118 54.840 -0.604 0.000 0.765 641 L CB -0.803 40.776 42.059 -0.800 0.000 0.904 641 L HN 0.510 nan 8.230 nan 0.000 0.437 642 G N -1.385 107.015 108.800 -0.668 0.000 3.042 642 G HA2 -0.065 3.895 3.960 0.000 0.000 0.212 642 G HA3 -0.065 3.895 3.960 0.000 0.000 0.212 642 G C 1.528 176.342 174.900 -0.142 0.000 1.166 642 G CA 0.572 45.446 45.100 -0.378 0.000 0.767 642 G HN 0.459 nan 8.290 nan 0.000 0.546 643 S N -0.467 115.139 115.700 -0.156 0.000 2.489 643 S HA 0.276 4.746 4.470 0.000 0.000 0.228 643 S C 1.915 176.483 174.600 -0.053 0.000 0.995 643 S CA 0.887 59.038 58.200 -0.081 0.000 0.934 643 S CB -0.179 62.975 63.200 -0.077 0.000 0.771 643 S HN 1.344 nan 8.310 nan 0.000 0.522 644 G N 1.599 110.356 108.800 -0.070 0.000 2.198 644 G HA2 -0.321 3.639 3.960 0.000 0.000 0.260 644 G HA3 -0.321 3.639 3.960 0.000 0.000 0.260 644 G C 0.801 175.692 174.900 -0.014 0.000 1.025 644 G CA 0.710 45.788 45.100 -0.037 0.000 0.769 644 G HN 1.204 nan 8.290 nan 0.000 0.507 645 S N -0.992 114.707 115.700 -0.001 0.000 2.489 645 S HA 0.325 4.795 4.470 0.000 0.000 0.228 645 S C 2.443 177.053 174.600 0.018 0.000 0.995 645 S CA 1.293 59.504 58.200 0.017 0.000 0.934 645 S CB -0.073 63.159 63.200 0.054 0.000 0.771 645 S HN 2.322 nan 8.310 nan 0.000 0.522 646 G N 0.530 109.345 108.800 0.025 0.000 2.186 646 G HA2 -0.304 3.656 3.960 0.000 0.000 0.266 646 G HA3 -0.304 3.656 3.960 0.000 0.000 0.266 646 G C 0.716 175.618 174.900 0.003 0.000 0.982 646 G CA 0.536 45.646 45.100 0.016 0.000 0.670 646 G HN 0.690 nan 8.290 nan 0.000 0.533 647 V N -1.019 118.901 119.914 0.008 0.000 2.788 647 V HA 0.298 4.418 4.120 0.000 0.000 0.251 647 V C 1.137 177.049 176.094 -0.304 0.000 1.068 647 V CA 1.194 63.397 62.300 -0.161 0.000 1.090 647 V CB -0.335 31.337 31.823 -0.252 0.000 0.710 647 V HN 0.286 nan 8.190 nan 0.000 0.467 648 F N -0.090 119.860 119.950 0.000 0.000 2.450 648 F HA 0.433 4.960 4.527 0.000 0.000 0.332 648 F C 1.083 176.907 175.800 0.040 0.000 1.093 648 F CA -0.690 57.332 58.000 0.036 0.000 1.003 648 F CB 1.599 40.616 39.000 0.029 0.000 1.151 648 F HN -0.276 nan 8.300 nan 0.000 0.474 649 K N 1.169 121.714 120.400 0.242 0.000 2.242 649 K HA 0.198 4.518 4.320 0.000 0.000 0.200 649 K C -0.331 176.374 176.600 0.174 0.000 1.050 649 K CA 0.700 57.090 56.287 0.172 0.000 0.981 649 K CB 0.340 32.941 32.500 0.168 0.000 0.795 649 K HN 0.790 nan 8.250 nan 0.000 0.477 650 c N -2.893 115.843 118.600 0.227 0.000 3.306 650 c HA 0.878 5.448 4.570 0.000 0.000 0.335 650 c C -0.205 174.080 174.090 0.326 0.000 1.382 650 c CA -0.608 55.880 56.329 0.265 0.000 1.254 650 c CB 1.049 43.677 42.510 0.197 0.000 1.555 650 c HN 0.333 nan 8.230 nan 0.000 0.463 651 G N -0.235 108.817 108.800 0.420 0.000 2.608 651 G HA2 0.770 4.730 3.960 0.000 0.000 0.291 651 G HA3 0.770 4.730 3.960 0.000 0.000 0.291 651 G C -2.078 173.013 174.900 0.317 0.000 1.425 651 G CA -0.731 44.587 45.100 0.363 0.000 0.787 651 G HN 1.091 nan 8.290 nan 0.000 0.484 652 I N 0.270 121.013 120.570 0.290 0.000 2.534 652 I HA 0.607 4.777 4.170 0.000 0.000 0.288 652 I C -0.103 176.141 176.117 0.212 0.000 1.077 652 I CA -0.999 60.375 61.300 0.123 0.000 1.051 652 I CB 2.326 40.373 38.000 0.077 0.000 1.234 652 I HN 0.694 nan 8.210 nan 0.000 0.425 653 A N 6.278 129.140 122.820 0.069 0.000 2.291 653 A HA 0.778 5.098 4.320 0.000 0.000 0.311 653 A C -0.815 176.664 177.584 -0.175 0.000 1.224 653 A CA -0.522 51.535 52.037 0.033 0.000 0.821 653 A CB 1.196 20.288 19.000 0.153 0.000 1.172 653 A HN 0.431 nan 8.150 nan 0.000 0.494 654 V N 2.285 122.009 119.914 -0.318 0.000 2.347 654 V HA 0.555 4.675 4.120 0.000 0.000 0.280 654 V C 0.914 176.563 176.094 -0.741 0.000 1.021 654 V CA 0.351 62.230 62.300 -0.702 0.000 0.847 654 V CB 0.669 31.691 31.823 -1.335 0.000 0.990 654 V HN 2.081 nan 8.190 nan 0.000 0.444 655 A N 6.031 128.459 122.820 -0.655 0.000 2.312 655 A HA -0.101 4.219 4.320 0.000 0.000 0.286 655 A C -1.861 175.630 177.584 -0.155 0.000 1.425 655 A CA 0.357 52.002 52.037 -0.654 0.000 0.748 655 A CB -1.435 17.200 19.000 -0.608 0.000 1.126 655 A HN 0.607 nan 8.150 nan 0.000 0.368 656 P HA 0.473 nan 4.420 nan 0.000 0.282 656 P C -0.055 177.206 177.300 -0.065 0.000 1.259 656 P CA -0.367 62.715 63.100 -0.030 0.000 0.826 656 P CB 1.475 33.179 31.700 0.007 0.000 1.064 657 V N 2.110 121.886 119.914 -0.230 0.000 2.498 657 V HA 0.082 4.202 4.120 0.000 0.000 0.279 657 V C 1.687 177.532 176.094 -0.416 0.000 1.048 657 V CA 0.596 62.615 62.300 -0.469 0.000 0.967 657 V CB 0.837 32.033 31.823 -1.046 0.000 0.988 657 V HN 0.775 nan 8.190 nan 0.000 0.473 658 S N 4.433 119.969 115.700 -0.274 0.000 2.505 658 S HA 0.228 4.698 4.470 0.000 0.000 0.216 658 S C 0.484 174.895 174.600 -0.315 0.000 1.018 658 S CA -0.379 57.723 58.200 -0.163 0.000 0.911 658 S CB 0.185 63.373 63.200 -0.019 0.000 0.818 658 S HN 0.859 nan 8.310 nan 0.000 0.497 659 R N -1.359 118.787 120.500 -0.590 0.000 2.633 659 R HA 0.282 4.622 4.340 0.000 0.000 0.256 659 R C -1.055 174.830 176.300 -0.692 0.000 1.131 659 R CA -0.897 54.807 56.100 -0.660 0.000 0.994 659 R CB -0.414 29.538 30.300 -0.581 0.000 1.261 659 R HN 0.135 nan 8.270 nan 0.000 0.446 660 W N 1.682 122.878 121.300 -0.174 0.000 2.359 660 W HA -0.116 4.544 4.660 0.000 0.000 0.275 660 W C 1.291 177.937 176.519 0.212 0.000 1.217 660 W CA 1.138 58.476 57.345 -0.011 0.000 1.196 660 W CB 0.046 29.397 29.460 -0.182 0.000 1.129 660 W HN 0.749 nan 8.180 nan 0.000 0.566 661 E N -1.003 119.345 120.200 0.247 0.000 2.150 661 E HA -0.203 4.147 4.350 0.000 0.000 0.193 661 E C 1.609 178.382 176.600 0.288 0.000 0.985 661 E CA 1.213 57.749 56.400 0.228 0.000 0.814 661 E CB -0.524 29.216 29.700 0.066 0.000 0.752 661 E HN 0.331 nan 8.360 nan 0.000 0.466 662 Y N -1.208 119.181 120.300 0.148 0.000 2.571 662 Y HA -0.015 4.535 4.550 0.000 0.000 0.294 662 Y C 0.686 176.703 175.900 0.194 0.000 1.141 662 Y CA -0.124 58.041 58.100 0.109 0.000 1.308 662 Y CB -0.769 37.703 38.460 0.020 0.000 1.002 662 Y HN 0.034 nan 8.280 nan 0.000 0.551 663 Y N 1.917 122.381 120.300 0.273 0.000 2.374 663 Y HA 0.279 4.829 4.550 0.000 0.000 0.322 663 Y C 0.354 176.514 175.900 0.433 0.000 1.275 663 Y CA -2.398 55.891 58.100 0.315 0.000 1.307 663 Y CB 0.372 39.067 38.460 0.392 0.000 1.282 663 Y HN 0.186 nan 8.280 nan 0.000 0.509 664 D N -0.064 120.108 120.400 -0.379 0.000 2.419 664 D HA 0.010 4.650 4.640 0.000 0.000 0.236 664 D C 0.929 177.243 176.300 0.022 0.000 1.165 664 D CA 0.606 54.505 54.000 -0.168 0.000 0.882 664 D CB 0.783 41.278 40.800 -0.508 0.000 1.201 664 D HN 0.496 nan 8.370 nan 0.000 0.443 665 S N 1.492 117.226 115.700 0.057 0.000 2.344 665 S HA -0.229 4.241 4.470 0.000 0.000 0.217 665 S C 2.049 176.681 174.600 0.053 0.000 1.033 665 S CA 1.205 59.466 58.200 0.102 0.000 1.017 665 S CB -1.132 62.135 63.200 0.112 0.000 0.941 665 S HN 0.451 nan 8.310 nan 0.000 0.430 666 V N 1.098 120.998 119.914 -0.024 0.000 2.277 666 V HA -0.250 3.870 4.120 0.000 0.000 0.253 666 V C 2.311 178.311 176.094 -0.156 0.000 1.067 666 V CA 2.513 64.701 62.300 -0.187 0.000 1.047 666 V CB -1.170 30.427 31.823 -0.378 0.000 0.649 666 V HN 0.578 nan 8.190 nan 0.000 0.447 667 Y N 1.309 121.531 120.300 -0.131 0.000 2.114 667 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 667 Y C 2.779 178.652 175.900 -0.045 0.000 1.119 667 Y CA 2.232 60.320 58.100 -0.020 0.000 1.108 667 Y CB -0.920 37.705 38.460 0.276 0.000 0.995 667 Y HN 0.242 nan 8.280 nan 0.000 0.491 668 T N 0.699 115.374 114.554 0.201 0.000 2.570 668 T HA -0.288 4.063 4.350 0.000 0.000 0.266 668 T C 1.594 176.198 174.700 -0.160 0.000 1.071 668 T CA 2.224 64.366 62.100 0.070 0.000 1.172 668 T CB -0.549 68.558 68.868 0.398 0.000 0.864 668 T HN 0.476 nan 8.240 nan 0.000 0.421 669 E N 0.592 120.761 120.200 -0.052 0.000 2.209 669 E HA -0.171 4.179 4.350 0.000 0.000 0.196 669 E C 2.312 178.741 176.600 -0.285 0.000 0.993 669 E CA 0.746 57.108 56.400 -0.063 0.000 0.819 669 E CB -0.228 29.490 29.700 0.031 0.000 0.745 669 E HN 0.406 nan 8.360 nan 0.000 0.477 670 R N 0.222 120.385 120.500 -0.561 0.000 2.127 670 R HA -0.198 4.142 4.340 0.000 0.000 0.238 670 R C 1.130 176.716 176.300 -1.190 0.000 1.134 670 R CA 1.596 57.147 56.100 -0.915 0.000 0.975 670 R CB 0.004 29.515 30.300 -1.316 0.000 0.865 670 R HN 0.306 nan 8.270 nan 0.000 0.447 671 Y N -2.645 117.253 120.300 -0.671 0.000 2.581 671 Y HA 0.214 4.764 4.550 0.000 0.000 0.271 671 Y C 1.889 177.535 175.900 -0.422 0.000 1.100 671 Y CA -0.453 57.228 58.100 -0.700 0.000 1.281 671 Y CB 0.283 38.220 38.460 -0.873 0.000 1.237 671 Y HN -0.072 nan 8.280 nan 0.000 0.514 672 M N 0.167 119.598 119.600 -0.280 0.000 2.510 672 M HA 0.313 4.794 4.480 0.000 0.000 0.256 672 M C 1.155 177.483 176.300 0.047 0.000 1.132 672 M CA 1.011 56.172 55.300 -0.231 0.000 1.105 672 M CB -0.854 31.390 32.600 -0.594 0.000 1.375 672 M HN 0.412 nan 8.290 nan 0.000 0.477 673 G N 1.320 110.151 108.800 0.052 0.000 2.632 673 G HA2 -0.228 3.732 3.960 0.000 0.000 0.224 673 G HA3 -0.228 3.732 3.960 0.000 0.000 0.224 673 G C -0.588 174.442 174.900 0.217 0.000 1.341 673 G CA -0.772 44.398 45.100 0.117 0.000 0.880 673 G HN 0.345 nan 8.290 nan 0.000 0.566 674 L N 1.911 123.211 121.223 0.130 0.000 2.307 674 L HA 0.423 4.763 4.340 0.000 0.000 0.282 674 L C -1.406 175.391 176.870 -0.122 0.000 1.051 674 L CA -1.811 53.045 54.840 0.027 0.000 0.804 674 L CB 1.882 43.940 42.059 -0.001 0.000 1.197 674 L HN 0.444 nan 8.230 nan 0.000 0.431 675 P HA 0.028 nan 4.420 nan 0.000 0.232 675 P C -0.475 176.643 177.300 -0.303 0.000 1.738 675 P CA -0.009 62.602 63.100 -0.815 0.000 0.948 675 P CB -0.601 30.393 31.700 -1.177 0.000 1.943 676 T N -3.143 111.324 114.554 -0.146 0.000 2.893 676 T HA 0.414 4.764 4.350 0.000 0.000 0.291 676 T C -1.965 172.713 174.700 -0.038 0.000 1.028 676 T CA -2.452 59.602 62.100 -0.076 0.000 0.995 676 T CB 2.175 71.011 68.868 -0.053 0.000 1.051 676 T HN -0.204 nan 8.240 nan 0.000 0.470 677 P HA -0.150 nan 4.420 nan 0.000 0.220 677 P C 0.887 178.179 177.300 -0.014 0.000 1.144 677 P CA 1.162 64.252 63.100 -0.017 0.000 0.800 677 P CB 0.264 31.956 31.700 -0.014 0.000 0.772 678 E N -0.821 119.371 120.200 -0.014 0.000 2.285 678 E HA -0.079 4.271 4.350 0.000 0.000 0.194 678 E C 1.266 177.863 176.600 -0.004 0.000 0.997 678 E CA 0.590 56.984 56.400 -0.009 0.000 0.845 678 E CB 0.037 29.731 29.700 -0.009 0.000 0.782 678 E HN 0.345 nan 8.360 nan 0.000 0.491 679 D N 0.463 120.863 120.400 -0.000 0.000 3.305 679 D HA 0.013 4.653 4.640 0.000 0.000 0.221 679 D C 0.306 176.621 176.300 0.025 0.000 1.187 679 D CA -0.179 53.831 54.000 0.017 0.000 1.276 679 D CB -0.091 40.727 40.800 0.030 0.000 0.924 679 D HN -0.120 nan 8.370 nan 0.000 0.189 680 N N 0.253 118.997 118.700 0.072 0.000 2.328 680 N HA 0.051 4.791 4.740 0.000 0.000 0.247 680 N C 1.399 177.029 175.510 0.199 0.000 1.165 680 N CA -0.180 52.941 53.050 0.119 0.000 0.873 680 N CB 0.424 39.037 38.487 0.211 0.000 1.125 680 N HN 0.060 nan 8.380 nan 0.000 0.513 681 L N 1.008 122.281 121.223 0.083 0.000 2.021 681 L HA -0.225 4.115 4.340 0.000 0.000 0.215 681 L C 1.492 178.451 176.870 0.147 0.000 1.074 681 L CA 2.011 56.895 54.840 0.072 0.000 0.760 681 L CB -0.533 41.522 42.059 -0.008 0.000 0.889 681 L HN 0.207 nan 8.230 nan 0.000 0.433 682 D N -1.101 119.333 120.400 0.057 0.000 2.133 682 D HA -0.235 4.405 4.640 0.000 0.000 0.192 682 D C 2.085 178.477 176.300 0.153 0.000 1.001 682 D CA 1.739 55.765 54.000 0.043 0.000 0.844 682 D CB -0.331 40.424 40.800 -0.074 0.000 0.944 682 D HN 0.506 nan 8.370 nan 0.000 0.447 683 H N -1.037 118.121 119.070 0.147 0.000 2.491 683 H HA -0.054 4.502 4.556 0.000 0.000 0.290 683 H C 1.864 177.278 175.328 0.143 0.000 1.050 683 H CA 0.521 56.639 56.048 0.116 0.000 1.309 683 H CB -0.431 29.369 29.762 0.063 0.000 1.392 683 H HN 0.332 nan 8.280 nan 0.000 0.554 684 Y N 0.919 121.341 120.300 0.202 0.000 2.200 684 Y HA -0.113 4.437 4.550 0.000 0.000 0.290 684 Y C 2.601 178.587 175.900 0.143 0.000 1.137 684 Y CA 1.178 59.390 58.100 0.186 0.000 1.163 684 Y CB 0.109 38.648 38.460 0.133 0.000 0.988 684 Y HN 0.045 nan 8.280 nan 0.000 0.518 685 R N -0.471 120.193 120.500 0.273 0.000 2.115 685 R HA -0.094 4.246 4.340 0.000 0.000 0.226 685 R C 1.293 177.675 176.300 0.136 0.000 1.100 685 R CA 0.939 57.136 56.100 0.162 0.000 0.980 685 R CB -0.323 30.048 30.300 0.118 0.000 0.875 685 R HN 0.276 nan 8.270 nan 0.000 0.445 686 N N 1.067 119.867 118.700 0.166 0.000 2.434 686 N HA -0.031 4.709 4.740 0.000 0.000 0.196 686 N C -0.044 175.541 175.510 0.126 0.000 1.183 686 N CA 0.431 53.564 53.050 0.138 0.000 0.849 686 N CB 0.464 39.051 38.487 0.167 0.000 0.992 686 N HN 0.142 nan 8.380 nan 0.000 0.460 687 S N -1.734 114.056 115.700 0.149 0.000 2.902 687 S HA 0.195 4.665 4.470 0.000 0.000 0.250 687 S C 0.070 174.770 174.600 0.167 0.000 1.046 687 S CA -0.675 57.631 58.200 0.176 0.000 1.069 687 S CB 0.120 63.481 63.200 0.269 0.000 0.967 687 S HN -0.160 nan 8.310 nan 0.000 0.530 688 T N 1.721 116.326 114.554 0.086 0.000 2.832 688 T HA 0.295 4.646 4.350 0.000 0.000 0.296 688 T C 1.468 176.185 174.700 0.029 0.000 0.968 688 T CA -0.295 61.819 62.100 0.023 0.000 1.107 688 T CB 1.567 70.433 68.868 -0.004 0.000 0.916 688 T HN 0.114 nan 8.240 nan 0.000 0.517 689 V N 4.233 124.160 119.914 0.022 0.000 2.358 689 V HA -0.164 3.956 4.120 0.000 0.000 0.246 689 V C 2.591 178.649 176.094 -0.059 0.000 1.047 689 V CA 1.443 63.742 62.300 -0.001 0.000 1.035 689 V CB -0.492 31.329 31.823 -0.004 0.000 0.658 689 V HN 0.854 nan 8.190 nan 0.000 0.452 690 M N 0.834 120.389 119.600 -0.075 0.000 2.446 690 M HA -0.064 4.416 4.480 0.000 0.000 0.263 690 M C 2.202 178.469 176.300 -0.056 0.000 1.066 690 M CA 2.072 57.312 55.300 -0.101 0.000 1.087 690 M CB -2.072 30.486 32.600 -0.069 0.000 1.406 690 M HN 0.533 nan 8.290 nan 0.000 0.459 691 S N 0.909 116.599 115.700 -0.017 0.000 2.481 691 S HA -0.007 4.463 4.470 0.000 0.000 0.231 691 S C 1.700 176.312 174.600 0.022 0.000 0.996 691 S CA 0.195 58.400 58.200 0.007 0.000 0.942 691 S CB -0.381 62.833 63.200 0.023 0.000 0.768 691 S HN 0.664 nan 8.310 nan 0.000 0.520 692 R N 0.561 121.080 120.500 0.031 0.000 2.515 692 R HA 0.463 4.803 4.340 0.000 0.000 0.294 692 R C 1.921 178.314 176.300 0.155 0.000 1.021 692 R CA 0.378 56.533 56.100 0.093 0.000 1.081 692 R CB -0.135 30.239 30.300 0.123 0.000 1.263 692 R HN 0.480 nan 8.270 nan 0.000 0.557 693 A N 1.775 124.605 122.820 0.016 0.000 1.859 693 A HA -0.228 4.092 4.320 0.000 0.000 0.217 693 A C 1.907 179.562 177.584 0.118 0.000 1.198 693 A CA 1.288 53.288 52.037 -0.061 0.000 0.629 693 A CB -0.199 18.741 19.000 -0.100 0.000 0.830 693 A HN 0.215 nan 8.150 nan 0.000 0.446 694 E N 0.377 120.635 120.200 0.096 0.000 2.095 694 E HA -0.241 4.109 4.350 0.000 0.000 0.212 694 E C 1.546 178.234 176.600 0.146 0.000 1.044 694 E CA 1.597 58.060 56.400 0.105 0.000 0.857 694 E CB -0.591 29.151 29.700 0.071 0.000 0.764 694 E HN 0.615 nan 8.360 nan 0.000 0.462 695 N N 0.023 118.812 118.700 0.148 0.000 2.651 695 N HA -0.148 4.592 4.740 0.000 0.000 0.193 695 N C 1.144 176.704 175.510 0.083 0.000 1.149 695 N CA 0.449 53.557 53.050 0.097 0.000 0.933 695 N CB -0.278 38.234 38.487 0.041 0.000 0.974 695 N HN 0.114 nan 8.380 nan 0.000 0.448 696 F N 1.239 121.177 119.950 -0.019 0.000 2.811 696 F HA 0.121 4.649 4.527 0.000 0.000 0.301 696 F C 1.851 177.678 175.800 0.045 0.000 1.151 696 F CA 0.238 58.226 58.000 -0.019 0.000 1.412 696 F CB 0.235 39.209 39.000 -0.042 0.000 1.113 696 F HN -0.065 nan 8.300 nan 0.000 0.579 697 K N -0.066 120.441 120.400 0.179 0.000 2.217 697 K HA -0.118 4.202 4.320 0.000 0.000 0.202 697 K C 1.081 177.740 176.600 0.098 0.000 1.051 697 K CA 0.900 57.271 56.287 0.139 0.000 0.952 697 K CB -0.259 32.304 32.500 0.105 0.000 0.736 697 K HN 0.407 nan 8.250 nan 0.000 0.453 698 Q N 0.982 120.817 119.800 0.058 0.000 2.282 698 Q HA 0.118 4.458 4.340 0.000 0.000 0.205 698 Q C -0.411 175.611 176.000 0.036 0.000 0.915 698 Q CA -0.001 55.824 55.803 0.038 0.000 0.949 698 Q CB 0.421 29.168 28.738 0.014 0.000 1.035 698 Q HN -0.049 nan 8.270 nan 0.000 0.484 699 V N 0.307 120.256 119.914 0.059 0.000 3.087 699 V HA 0.196 4.316 4.120 0.000 0.000 0.306 699 V C -0.881 175.326 176.094 0.189 0.000 1.187 699 V CA -1.000 61.348 62.300 0.079 0.000 0.999 699 V CB 2.715 34.509 31.823 -0.048 0.000 1.049 699 V HN 0.117 nan 8.190 nan 0.000 0.431 700 E N 2.300 122.641 120.200 0.234 0.000 2.115 700 E HA 0.413 4.763 4.350 0.000 0.000 0.282 700 E C -1.758 175.174 176.600 0.553 0.000 0.987 700 E CA -0.391 56.218 56.400 0.348 0.000 0.797 700 E CB 1.593 31.437 29.700 0.239 0.000 1.086 700 E HN 0.522 nan 8.360 nan 0.000 0.397 701 Y N 3.506 124.035 120.300 0.382 0.000 2.429 701 Y HA 0.482 5.032 4.550 0.000 0.000 0.342 701 Y C -1.631 174.329 175.900 0.099 0.000 1.004 701 Y CA -1.620 56.643 58.100 0.272 0.000 1.075 701 Y CB 1.103 39.770 38.460 0.344 0.000 1.214 701 Y HN 0.405 nan 8.280 nan 0.000 0.455 702 L N 7.626 128.573 121.223 -0.459 0.000 2.372 702 L HA 0.580 4.920 4.340 0.000 0.000 0.274 702 L C -2.225 174.188 176.870 -0.761 0.000 0.988 702 L CA -0.750 53.657 54.840 -0.721 0.000 0.833 702 L CB 1.270 42.608 42.059 -1.202 0.000 1.236 702 L HN 0.642 nan 8.230 nan 0.000 0.410 703 L N 6.503 127.312 121.223 -0.690 0.000 2.296 703 L HA 0.710 5.050 4.340 0.000 0.000 0.286 703 L C -1.039 175.644 176.870 -0.311 0.000 1.023 703 L CA -0.040 54.460 54.840 -0.567 0.000 0.812 703 L CB 1.230 42.913 42.059 -0.626 0.000 1.223 703 L HN 0.588 nan 8.230 nan 0.000 0.421 704 I N 4.154 124.562 120.570 -0.269 0.000 2.689 704 I HA 0.478 4.648 4.170 0.000 0.000 0.299 704 I C -1.209 174.822 176.117 -0.144 0.000 1.059 704 I CA -0.790 60.397 61.300 -0.189 0.000 1.055 704 I CB 2.169 40.032 38.000 -0.229 0.000 1.243 704 I HN 0.672 nan 8.210 nan 0.000 0.425 705 H N 1.663 120.708 119.070 -0.042 0.000 3.085 705 H HA 0.462 5.018 4.556 0.000 0.000 0.356 705 H C -0.326 175.171 175.328 0.281 0.000 1.178 705 H CA -0.510 55.556 56.048 0.030 0.000 1.214 705 H CB 1.993 31.657 29.762 -0.163 0.000 1.881 705 H HN 0.761 nan 8.280 nan 0.000 0.538 706 G N 1.542 110.608 108.800 0.444 0.000 2.406 706 G HA2 0.109 4.069 3.960 0.000 0.000 0.251 706 G HA3 0.109 4.069 3.960 0.000 0.000 0.251 706 G C 0.804 176.036 174.900 0.554 0.000 1.271 706 G CA 0.038 45.420 45.100 0.470 0.000 0.859 706 G HN 0.697 nan 8.290 nan 0.000 0.540 707 T N 1.429 116.204 114.554 0.367 0.000 3.035 707 T HA 0.098 4.448 4.350 0.000 0.000 0.268 707 T C 1.907 176.624 174.700 0.028 0.000 1.109 707 T CA 1.564 63.745 62.100 0.135 0.000 1.119 707 T CB -0.063 68.887 68.868 0.136 0.000 0.900 707 T HN 0.652 nan 8.240 nan 0.000 0.503 708 A N 0.695 123.554 122.820 0.064 0.000 2.701 708 A HA 0.278 4.598 4.320 0.000 0.000 0.297 708 A C 0.126 177.538 177.584 -0.285 0.000 1.197 708 A CA -0.448 51.473 52.037 -0.193 0.000 0.963 708 A CB 0.100 19.241 19.000 0.236 0.000 1.175 708 A HN 0.244 nan 8.150 nan 0.000 0.531 709 D N 1.678 122.049 120.400 -0.048 0.000 2.342 709 D HA -0.027 4.613 4.640 0.000 0.000 0.260 709 D C 0.216 176.517 176.300 0.002 0.000 1.278 709 D CA 0.362 54.447 54.000 0.141 0.000 0.910 709 D CB 0.696 41.760 40.800 0.440 0.000 1.079 709 D HN 0.603 nan 8.370 nan 0.000 0.496 710 D N 2.469 122.900 120.400 0.051 0.000 2.348 710 D HA -0.131 4.509 4.640 0.000 0.000 0.211 710 D C 0.993 177.331 176.300 0.062 0.000 0.998 710 D CA -0.151 53.892 54.000 0.072 0.000 0.873 710 D CB 0.359 41.180 40.800 0.035 0.000 0.925 710 D HN 0.233 nan 8.370 nan 0.000 0.524 711 N N 0.845 119.632 118.700 0.146 0.000 2.245 711 N HA -0.051 4.689 4.740 0.000 0.000 0.185 711 N C 0.068 175.545 175.510 -0.055 0.000 1.036 711 N CA 0.638 53.792 53.050 0.173 0.000 0.857 711 N CB 0.657 39.187 38.487 0.070 0.000 1.015 711 N HN -0.061 nan 8.380 nan 0.000 0.436 712 V N 3.312 123.168 119.914 -0.096 0.000 2.239 712 V HA 0.190 4.310 4.120 0.000 0.000 0.267 712 V C 0.458 176.638 176.094 0.144 0.000 1.056 712 V CA -0.618 61.680 62.300 -0.004 0.000 0.830 712 V CB 0.544 32.387 31.823 0.034 0.000 1.090 712 V HN 0.316 nan 8.190 nan 0.000 0.459 713 H N 2.897 121.992 119.070 0.042 0.000 2.509 713 H HA -0.278 4.278 4.556 0.000 0.000 0.293 713 H C 1.554 176.873 175.328 -0.015 0.000 1.125 713 H CA 2.243 58.261 56.048 -0.051 0.000 1.188 713 H CB -0.136 29.503 29.762 -0.205 0.000 1.349 713 H HN 0.789 nan 8.280 nan 0.000 0.528 714 F N -1.006 118.751 119.950 -0.322 0.000 2.424 714 F HA -0.410 4.117 4.527 0.000 0.000 0.678 714 F C 2.096 177.632 175.800 -0.439 0.000 0.491 714 F CA 1.648 59.157 58.000 -0.818 0.000 1.153 714 F CB -1.263 37.463 39.000 -0.457 0.000 1.945 714 F HN 0.263 nan 8.300 nan 0.000 0.265 715 Q N 1.128 120.892 119.800 -0.060 0.000 2.133 715 Q HA -0.307 4.033 4.340 0.000 0.000 0.208 715 Q C 1.704 177.519 176.000 -0.308 0.000 0.991 715 Q CA 2.386 58.076 55.803 -0.188 0.000 0.867 715 Q CB -0.325 28.219 28.738 -0.322 0.000 0.911 715 Q HN 0.796 nan 8.270 nan 0.000 0.417 716 Q N -0.121 119.531 119.800 -0.247 0.000 2.077 716 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 716 Q C 2.269 178.191 176.000 -0.130 0.000 0.989 716 Q CA 1.963 57.727 55.803 -0.065 0.000 0.853 716 Q CB -0.184 28.576 28.738 0.037 0.000 0.907 716 Q HN 0.380 nan 8.270 nan 0.000 0.418 717 S N 0.805 116.312 115.700 -0.322 0.000 2.377 717 S HA 0.009 4.479 4.470 0.000 0.000 0.223 717 S C 2.117 176.497 174.600 -0.367 0.000 1.030 717 S CA 0.712 58.706 58.200 -0.343 0.000 0.970 717 S CB -0.183 62.752 63.200 -0.442 0.000 0.830 717 S HN 0.483 nan 8.310 nan 0.000 0.473 718 A N 1.327 123.878 122.820 -0.448 0.000 1.948 718 A HA -0.215 4.105 4.320 0.000 0.000 0.220 718 A C 2.109 179.621 177.584 -0.120 0.000 1.177 718 A CA 1.839 53.749 52.037 -0.211 0.000 0.636 718 A CB -0.670 18.313 19.000 -0.030 0.000 0.815 718 A HN 0.392 nan 8.150 nan 0.000 0.449 719 Q N -0.202 119.528 119.800 -0.117 0.000 2.119 719 Q HA -0.000 4.340 4.340 0.000 0.000 0.201 719 Q C 1.785 177.752 176.000 -0.056 0.000 0.972 719 Q CA 1.399 57.179 55.803 -0.038 0.000 0.847 719 Q CB -0.353 28.427 28.738 0.070 0.000 0.903 719 Q HN 0.737 nan 8.270 nan 0.000 0.433 720 I N -0.299 120.205 120.570 -0.111 0.000 2.133 720 I HA -0.289 3.881 4.170 0.000 0.000 0.238 720 I C 2.264 178.237 176.117 -0.241 0.000 1.074 720 I CA 1.231 62.424 61.300 -0.178 0.000 1.342 720 I CB -0.616 37.266 38.000 -0.196 0.000 1.053 720 I HN 0.272 nan 8.210 nan 0.000 0.404 721 S N 1.412 116.956 115.700 -0.261 0.000 2.377 721 S HA -0.366 4.104 4.470 0.000 0.000 0.224 721 S C 2.026 176.609 174.600 -0.030 0.000 1.042 721 S CA 1.920 59.983 58.200 -0.228 0.000 1.086 721 S CB -0.813 62.373 63.200 -0.023 0.000 0.995 721 S HN 0.379 nan 8.310 nan 0.000 0.428 722 K N 2.036 122.430 120.400 -0.010 0.000 2.071 722 K HA -0.265 4.055 4.320 0.000 0.000 0.217 722 K C 2.335 178.939 176.600 0.007 0.000 1.054 722 K CA 1.824 58.121 56.287 0.018 0.000 0.937 722 K CB -0.937 31.564 32.500 0.001 0.000 0.719 722 K HN 0.478 nan 8.250 nan 0.000 0.454 723 A N 1.176 123.972 122.820 -0.039 0.000 1.892 723 A HA -0.179 4.141 4.320 0.000 0.000 0.218 723 A C 2.238 179.793 177.584 -0.047 0.000 1.188 723 A CA 1.877 53.883 52.037 -0.052 0.000 0.631 723 A CB -0.750 18.191 19.000 -0.098 0.000 0.822 723 A HN 0.398 nan 8.150 nan 0.000 0.447 724 L N -0.617 120.557 121.223 -0.082 0.000 2.046 724 L HA -0.172 4.168 4.340 0.000 0.000 0.208 724 L C 2.535 179.488 176.870 0.137 0.000 1.077 724 L CA 1.113 55.950 54.840 -0.005 0.000 0.747 724 L CB -0.567 41.470 42.059 -0.036 0.000 0.896 724 L HN 0.263 nan 8.230 nan 0.000 0.432 725 V N -0.303 119.716 119.914 0.174 0.000 2.343 725 V HA -0.284 3.836 4.120 0.000 0.000 0.247 725 V C 1.945 178.087 176.094 0.080 0.000 1.051 725 V CA 1.878 64.265 62.300 0.146 0.000 1.036 725 V CB -0.518 31.384 31.823 0.132 0.000 0.654 725 V HN 0.438 nan 8.190 nan 0.000 0.451 726 D N 0.316 120.750 120.400 0.056 0.000 2.264 726 D HA -0.030 4.610 4.640 0.000 0.000 0.208 726 D C 1.982 178.305 176.300 0.039 0.000 0.966 726 D CA 1.330 55.353 54.000 0.039 0.000 0.864 726 D CB -0.079 40.737 40.800 0.026 0.000 0.933 726 D HN 0.482 nan 8.370 nan 0.000 0.499 727 A N -0.312 122.535 122.820 0.046 0.000 2.178 727 A HA 0.406 4.726 4.320 0.000 0.000 0.211 727 A C 1.827 179.449 177.584 0.064 0.000 1.157 727 A CA 1.021 53.088 52.037 0.049 0.000 0.780 727 A CB -0.066 18.962 19.000 0.045 0.000 0.828 727 A HN 0.219 nan 8.150 nan 0.000 0.476 728 G N -1.366 107.476 108.800 0.071 0.000 2.143 728 G HA2 -0.189 3.771 3.960 0.000 0.000 0.249 728 G HA3 -0.189 3.771 3.960 0.000 0.000 0.249 728 G C 0.125 175.080 174.900 0.091 0.000 0.981 728 G CA 0.179 45.320 45.100 0.069 0.000 0.665 728 G HN 0.768 nan 8.290 nan 0.000 0.528 729 V N 0.836 120.829 119.914 0.132 0.000 2.498 729 V HA 0.487 4.607 4.120 0.000 0.000 0.279 729 V C 0.455 176.684 176.094 0.224 0.000 1.048 729 V CA -0.153 62.258 62.300 0.186 0.000 0.967 729 V CB 1.666 33.631 31.823 0.236 0.000 0.988 729 V HN 0.404 nan 8.190 nan 0.000 0.473 730 D N 3.607 124.111 120.400 0.172 0.000 2.225 730 D HA 0.646 5.286 4.640 0.000 0.000 0.249 730 D C -0.563 175.861 176.300 0.207 0.000 1.052 730 D CA -0.065 53.977 54.000 0.071 0.000 0.909 730 D CB 0.988 41.799 40.800 0.018 0.000 1.186 730 D HN 0.344 nan 8.370 nan 0.000 0.431 731 F N -0.692 119.340 119.950 0.136 0.000 2.789 731 F HA 0.498 5.025 4.527 0.000 0.000 0.319 731 F C -1.467 174.384 175.800 0.085 0.000 1.168 731 F CA -1.074 57.025 58.000 0.165 0.000 0.934 731 F CB 0.929 40.059 39.000 0.217 0.000 1.375 731 F HN 0.180 nan 8.300 nan 0.000 0.480 732 Q N 1.155 121.145 119.800 0.317 0.000 2.333 732 Q HA 0.792 5.132 4.340 0.000 0.000 0.267 732 Q C -1.051 175.052 176.000 0.172 0.000 1.012 732 Q CA -1.162 54.730 55.803 0.150 0.000 0.824 732 Q CB 2.347 31.181 28.738 0.160 0.000 1.290 732 Q HN 0.962 nan 8.270 nan 0.000 0.449 733 A N 2.410 125.298 122.820 0.113 0.000 2.387 733 A HA 0.927 5.247 4.320 0.000 0.000 0.303 733 A C -1.226 176.303 177.584 -0.092 0.000 1.145 733 A CA -0.599 51.477 52.037 0.065 0.000 0.801 733 A CB 1.836 20.977 19.000 0.236 0.000 1.342 733 A HN 0.648 nan 8.150 nan 0.000 0.440 734 M N 0.803 120.307 119.600 -0.159 0.000 2.307 734 M HA 0.528 5.008 4.480 0.000 0.000 0.279 734 M C -2.250 173.886 176.300 -0.275 0.000 1.080 734 M CA -0.558 54.498 55.300 -0.405 0.000 0.964 734 M CB 1.114 33.368 32.600 -0.576 0.000 1.825 734 M HN 0.973 nan 8.290 nan 0.000 0.489 735 W N 4.486 125.605 121.300 -0.302 0.000 2.627 735 W HA 0.795 5.455 4.660 0.000 0.000 0.339 735 W C -2.151 174.125 176.519 -0.405 0.000 1.058 735 W CA -1.039 56.227 57.345 -0.132 0.000 1.223 735 W CB 0.494 29.990 29.460 0.059 0.000 1.389 735 W HN 0.631 nan 8.180 nan 0.000 0.541 736 Y N 2.621 123.079 120.300 0.264 0.000 2.464 736 Y HA 0.302 4.852 4.550 0.000 0.000 0.326 736 Y C 0.620 176.666 175.900 0.243 0.000 0.969 736 Y CA -0.950 57.220 58.100 0.115 0.000 1.270 736 Y CB 1.468 39.942 38.460 0.024 0.000 1.103 736 Y HN 0.422 nan 8.280 nan 0.000 0.491 737 T N 4.509 119.268 114.554 0.342 0.000 2.822 737 T HA -0.059 4.291 4.350 0.000 0.000 0.288 737 T C 0.142 174.937 174.700 0.158 0.000 0.991 737 T CA 0.713 62.947 62.100 0.224 0.000 1.176 737 T CB -0.218 68.709 68.868 0.098 0.000 0.951 737 T HN 0.698 nan 8.240 nan 0.000 0.526 738 D N 1.179 121.661 120.400 0.137 0.000 3.012 738 D HA -0.121 4.519 4.640 0.000 0.000 0.222 738 D C 0.238 176.661 176.300 0.204 0.000 1.167 738 D CA 1.084 55.109 54.000 0.042 0.000 0.854 738 D CB -0.383 40.238 40.800 -0.299 0.000 1.107 738 D HN 0.521 nan 8.370 nan 0.000 0.421 739 E N 0.522 120.863 120.200 0.234 0.000 2.283 739 E HA 0.254 4.605 4.350 0.000 0.000 0.271 739 E C 0.800 177.548 176.600 0.247 0.000 1.031 739 E CA -0.426 56.115 56.400 0.235 0.000 0.868 739 E CB 1.122 30.954 29.700 0.220 0.000 1.094 739 E HN 0.071 nan 8.360 nan 0.000 0.401 740 D N 0.088 120.633 120.400 0.242 0.000 2.289 740 D HA -0.063 4.577 4.640 0.000 0.000 0.266 740 D C 0.767 177.239 176.300 0.286 0.000 1.243 740 D CA 0.122 54.281 54.000 0.265 0.000 1.019 740 D CB 0.330 41.283 40.800 0.255 0.000 1.126 740 D HN 0.464 nan 8.370 nan 0.000 0.541 741 H N -1.433 117.767 119.070 0.217 0.000 2.533 741 H HA 0.238 4.794 4.556 0.000 0.000 0.271 741 H C 1.150 176.661 175.328 0.305 0.000 1.000 741 H CA 0.711 56.902 56.048 0.239 0.000 1.149 741 H CB -0.120 29.774 29.762 0.219 0.000 1.375 741 H HN 0.300 nan 8.280 nan 0.000 0.582 742 G N -0.416 108.486 108.800 0.171 0.000 2.833 742 G HA2 0.106 4.066 3.960 0.000 0.000 0.214 742 G HA3 0.106 4.066 3.960 0.000 0.000 0.214 742 G C 0.483 175.501 174.900 0.197 0.000 1.075 742 G CA 0.116 45.260 45.100 0.073 0.000 0.799 742 G HN 0.432 nan 8.290 nan 0.000 0.541 743 I N 0.412 121.096 120.570 0.190 0.000 6.272 743 I HA -0.326 3.844 4.170 0.000 0.000 0.126 743 I C 1.548 177.728 176.117 0.105 0.000 1.619 743 I CA 0.188 61.551 61.300 0.106 0.000 2.452 743 I CB -1.354 36.653 38.000 0.012 0.000 3.064 743 I HN 0.247 nan 8.210 nan 0.000 0.279 744 A N 1.007 123.876 122.820 0.081 0.000 2.308 744 A HA 0.276 4.596 4.320 0.000 0.000 0.217 744 A C 1.282 178.883 177.584 0.028 0.000 1.216 744 A CA 0.579 52.630 52.037 0.024 0.000 0.864 744 A CB 0.038 19.020 19.000 -0.030 0.000 0.902 744 A HN 0.664 nan 8.150 nan 0.000 0.499 745 S N -0.625 115.115 115.700 0.067 0.000 2.576 745 S HA 0.186 4.656 4.470 0.000 0.000 0.272 745 S C 1.196 175.842 174.600 0.078 0.000 1.352 745 S CA 0.267 58.508 58.200 0.068 0.000 1.021 745 S CB 0.983 64.234 63.200 0.085 0.000 0.887 745 S HN 0.364 nan 8.310 nan 0.000 0.542 746 S N 1.756 117.495 115.700 0.064 0.000 2.380 746 S HA -0.167 4.303 4.470 0.000 0.000 0.217 746 S C 2.151 176.814 174.600 0.104 0.000 1.036 746 S CA 2.189 60.435 58.200 0.078 0.000 1.050 746 S CB -1.703 61.525 63.200 0.046 0.000 1.016 746 S HN 0.992 nan 8.310 nan 0.000 0.419 747 T N 1.764 116.367 114.554 0.081 0.000 2.653 747 T HA -0.231 4.119 4.350 0.000 0.000 0.267 747 T C 1.925 176.689 174.700 0.107 0.000 1.037 747 T CA 1.890 64.044 62.100 0.089 0.000 1.159 747 T CB -1.182 67.734 68.868 0.080 0.000 0.859 747 T HN 0.553 nan 8.240 nan 0.000 0.449 748 A N 1.243 124.107 122.820 0.074 0.000 1.929 748 A HA -0.056 4.264 4.320 0.000 0.000 0.216 748 A C 2.162 179.710 177.584 -0.061 0.000 1.176 748 A CA 1.935 53.959 52.037 -0.022 0.000 0.628 748 A CB -1.005 17.950 19.000 -0.074 0.000 0.816 748 A HN 0.710 nan 8.150 nan 0.000 0.444 749 H N 0.108 119.154 119.070 -0.041 0.000 2.319 749 H HA -0.141 4.415 4.556 0.000 0.000 0.299 749 H C 2.107 177.487 175.328 0.087 0.000 1.092 749 H CA 2.364 58.427 56.048 0.024 0.000 1.302 749 H CB -0.240 29.548 29.762 0.044 0.000 1.373 749 H HN 0.586 nan 8.280 nan 0.000 0.497 750 Q N -0.824 118.944 119.800 -0.052 0.000 2.020 750 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 750 Q C 2.282 178.246 176.000 -0.060 0.000 0.982 750 Q CA 1.393 57.133 55.803 -0.105 0.000 0.838 750 Q CB -0.363 28.363 28.738 -0.021 0.000 0.899 750 Q HN 0.620 nan 8.270 nan 0.000 0.423 751 H N 1.079 120.116 119.070 -0.056 0.000 2.265 751 H HA -0.167 4.389 4.556 0.000 0.000 0.295 751 H C 2.089 177.408 175.328 -0.015 0.000 1.084 751 H CA 1.897 57.950 56.048 0.009 0.000 1.261 751 H CB -0.277 29.551 29.762 0.109 0.000 1.360 751 H HN 0.309 nan 8.280 nan 0.000 0.487 752 I N -0.005 120.561 120.570 -0.006 0.000 2.286 752 I HA -0.321 3.849 4.170 0.000 0.000 0.248 752 I C 1.866 177.781 176.117 -0.336 0.000 1.115 752 I CA 1.321 62.528 61.300 -0.155 0.000 1.392 752 I CB -0.291 37.392 38.000 -0.527 0.000 1.065 752 I HN 0.174 nan 8.210 nan 0.000 0.418 753 Y N 0.486 120.572 120.300 -0.357 0.000 2.263 753 Y HA -0.176 4.374 4.550 0.000 0.000 0.292 753 Y C 2.855 178.500 175.900 -0.425 0.000 1.130 753 Y CA 1.552 59.301 58.100 -0.585 0.000 1.179 753 Y CB -0.291 37.768 38.460 -0.667 0.000 0.998 753 Y HN 0.142 nan 8.280 nan 0.000 0.532 754 S N -0.981 114.608 115.700 -0.184 0.000 2.359 754 S HA -0.296 4.174 4.470 0.000 0.000 0.224 754 S C 1.704 176.084 174.600 -0.367 0.000 1.035 754 S CA 1.750 59.770 58.200 -0.300 0.000 1.018 754 S CB -0.543 62.515 63.200 -0.238 0.000 0.876 754 S HN 0.555 nan 8.310 nan 0.000 0.448 755 H N 1.223 120.151 119.070 -0.236 0.000 2.290 755 H HA 0.020 4.576 4.556 0.000 0.000 0.298 755 H C 2.112 177.422 175.328 -0.031 0.000 1.087 755 H CA 1.976 57.980 56.048 -0.074 0.000 1.291 755 H CB -0.222 29.533 29.762 -0.012 0.000 1.369 755 H HN 0.293 nan 8.280 nan 0.000 0.492 756 M N -0.608 118.981 119.600 -0.017 0.000 2.149 756 M HA -0.189 4.291 4.480 0.000 0.000 0.261 756 M C 2.459 178.880 176.300 0.202 0.000 1.064 756 M CA 1.552 56.855 55.300 0.004 0.000 1.102 756 M CB 0.002 32.397 32.600 -0.343 0.000 1.369 756 M HN 0.214 nan 8.290 nan 0.000 0.408 757 S N -0.486 115.319 115.700 0.174 0.000 2.351 757 S HA -0.177 4.293 4.470 0.000 0.000 0.220 757 S C 1.718 176.404 174.600 0.144 0.000 1.035 757 S CA 1.250 59.629 58.200 0.298 0.000 1.031 757 S CB -0.737 62.560 63.200 0.161 0.000 0.928 757 S HN 0.482 nan 8.310 nan 0.000 0.433 758 H N -0.030 119.095 119.070 0.092 0.000 2.422 758 H HA -0.062 4.495 4.556 0.000 0.000 0.298 758 H C 1.911 177.224 175.328 -0.025 0.000 1.098 758 H CA 1.169 57.217 56.048 0.000 0.000 1.315 758 H CB -0.723 28.983 29.762 -0.094 0.000 1.382 758 H HN 0.456 nan 8.280 nan 0.000 0.523 759 F N 1.173 121.109 119.950 -0.023 0.000 2.186 759 F HA -0.112 4.415 4.527 0.000 0.000 0.299 759 F C 2.252 178.018 175.800 -0.056 0.000 1.090 759 F CA 0.821 58.790 58.000 -0.052 0.000 1.307 759 F CB -0.376 38.596 39.000 -0.046 0.000 1.019 759 F HN -0.010 nan 8.300 nan 0.000 0.489 760 L N -0.331 120.871 121.223 -0.035 0.000 2.109 760 L HA -0.192 4.148 4.340 0.000 0.000 0.207 760 L C 2.461 179.195 176.870 -0.226 0.000 1.086 760 L CA 1.230 55.914 54.840 -0.259 0.000 0.760 760 L CB -0.809 41.198 42.059 -0.088 0.000 0.910 760 L HN 0.199 nan 8.230 nan 0.000 0.437 761 Q N -0.273 119.514 119.800 -0.022 0.000 2.030 761 Q HA -0.273 4.067 4.340 0.000 0.000 0.204 761 Q C 2.257 178.240 176.000 -0.029 0.000 0.986 761 Q CA 1.759 57.590 55.803 0.047 0.000 0.843 761 Q CB -0.152 28.661 28.738 0.125 0.000 0.904 761 Q HN 0.543 nan 8.270 nan 0.000 0.420 762 Q N -0.174 119.559 119.800 -0.112 0.000 2.030 762 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 762 Q C 2.470 178.351 176.000 -0.198 0.000 0.986 762 Q CA 1.497 57.211 55.803 -0.149 0.000 0.843 762 Q CB -0.512 28.107 28.738 -0.198 0.000 0.904 762 Q HN 0.469 nan 8.270 nan 0.000 0.420 763 c N 0.143 118.500 118.600 -0.404 0.000 2.413 763 c HA -0.137 4.433 4.570 0.000 0.000 0.276 763 c C 2.105 176.146 174.090 -0.083 0.000 1.248 763 c CA 0.614 56.715 56.329 -0.379 0.000 1.742 763 c CB -1.036 41.067 42.510 -0.678 0.000 2.017 763 c HN 0.499 nan 8.230 nan 0.000 0.481 764 F N 0.749 120.650 119.950 -0.082 0.000 2.773 764 F HA 0.125 4.652 4.527 0.000 0.000 0.304 764 F C 1.549 177.329 175.800 -0.033 0.000 1.129 764 F CA 0.186 58.163 58.000 -0.038 0.000 1.378 764 F CB -0.074 38.913 39.000 -0.020 0.000 1.095 764 F HN 0.183 nan 8.300 nan 0.000 0.565 765 S N 0.752 116.528 115.700 0.127 0.000 3.635 765 S HA -0.190 4.280 4.470 0.000 0.000 0.328 765 S C 0.535 175.171 174.600 0.060 0.000 1.135 765 S CA 0.357 58.595 58.200 0.064 0.000 0.942 765 S CB -1.934 61.296 63.200 0.050 0.000 0.930 765 S HN 0.342 nan 8.310 nan 0.000 0.512 766 L N -0.409 120.861 121.223 0.079 0.000 2.674 766 L HA 0.631 4.971 4.340 0.000 0.000 0.182 766 L C 1.321 178.223 176.870 0.053 0.000 1.867 766 L CA -0.844 54.036 54.840 0.067 0.000 2.994 766 L CB -0.364 41.751 42.059 0.093 0.000 2.945 766 L HN 0.456 nan 8.230 nan 0.000 0.729 767 R N 0.000 120.540 120.500 0.067 0.000 2.786 767 R HA 0.000 4.340 4.340 0.000 0.000 0.208 767 R CA 0.000 56.138 56.100 0.064 0.000 0.921 767 R CB 0.000 30.337 30.300 0.062 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535