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 1j1w_1_B DATA FIRST_RESID 3 DATA SEQUENCE TPKIIYTLTD EAPALATYSL LPIIKAFTGS SGIAVETRDI SLAGRLIATF DATA SEQUENCE PEYLTDTQKI SDDLAELGKL ATTPDANIIK LPNISASVPQ LKAAIKELQQ DATA SEQUENCE QGYKLPDYPE EPKTDTEKDV KARYDKIKGS AVNPVLREGN SDRRAPLSVK DATA SEQUENCE NYARKHPHKM GAWSADSKSH VAHMDNGDFY GSEKAALIGA PGSVKIELIA DATA SEQUENCE KDGSSTVLKA KTSVQAGEII DSSVMSKNAL RNFIAAEIED AKKQGVLLSV DATA SEQUENCE HLKATMMKVS DPIMFGQIVS EFYKDALTKH AEVLKQIGFD VNNGIGDLYA DATA SEQUENCE RIKTLPEAKQ KEIEADIQAV YAQRPQLAMV NSDKGITNLH VPSDVIVDAS DATA SEQUENCE MPAMIRDSGK MWGPDGKLHD TKAVIPDRCY AGVYQVVIED CKQHGAFDPT DATA SEQUENCE TMGSVPNVGL MAQKAEEYGS HDKTFQIPAD GVVRVTDESG KLLLEQSVEA DATA SEQUENCE GDIWRMCQAK DAPIQDWVKL AVNRARATNT PAVFWLDPAR AHDAQVIAKV DATA SEQUENCE ERYLKDYDTS GLDIRILSPV EATRFSLARI REGKDTISVT GNVLRDYLTD DATA SEQUENCE LFPIMELGTS AKMLSIVPLM SGGGLFETGA GGSAPKHVQQ FLEEGYLRWD DATA SEQUENCE SLGEFLALAA SLEHLGNAYK NPKALVLAST LDQATGKILD NNKSPARKVG DATA SEQUENCE EIDNRGSHFY LALYWAQALA AQTEDKELQA QFTGIAKALT DNETKIVGEL DATA SEQUENCE AAAQGKPVDI AGYYHPNTDL TSKAMRPSAT FNAALAPL 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.687 174.700 -0.022 0.000 1.109 3 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 3 T CB 0.000 68.872 68.868 0.006 0.000 0.612 4 P HA -0.048 nan 4.420 nan 0.000 0.252 4 P C -0.260 176.985 177.300 -0.092 0.000 1.126 4 P CA 0.966 63.995 63.100 -0.119 0.000 0.777 4 P CB 0.054 31.588 31.700 -0.277 0.000 0.711 5 K N 3.503 123.878 120.400 -0.041 0.000 2.326 5 K HA 0.404 4.725 4.320 0.001 0.000 0.275 5 K C 0.288 176.892 176.600 0.006 0.000 1.018 5 K CA -0.159 56.124 56.287 -0.006 0.000 0.962 5 K CB 0.788 33.303 32.500 0.024 0.000 0.953 5 K HN 0.428 nan 8.250 nan 0.000 0.475 6 I N 4.073 124.659 120.570 0.027 0.000 2.534 6 I HA 0.178 4.348 4.170 0.001 0.000 0.286 6 I C -0.908 175.258 176.117 0.081 0.000 1.094 6 I CA -0.806 60.528 61.300 0.056 0.000 1.055 6 I CB 1.596 39.621 38.000 0.042 0.000 1.225 6 I HN 0.380 nan 8.210 nan 0.000 0.435 7 I N 6.664 127.290 120.570 0.093 0.000 2.297 7 I HA 0.160 4.331 4.170 0.001 0.000 0.291 7 I C -0.475 175.717 176.117 0.126 0.000 1.033 7 I CA -0.496 60.859 61.300 0.092 0.000 1.253 7 I CB 0.439 38.473 38.000 0.057 0.000 1.396 7 I HN 0.428 nan 8.210 nan 0.000 0.476 8 Y N 6.275 126.581 120.300 0.009 0.000 2.404 8 Y HA 0.263 4.814 4.550 0.001 0.000 0.344 8 Y C 1.017 176.912 175.900 -0.009 0.000 0.970 8 Y CA -0.609 57.494 58.100 0.005 0.000 1.180 8 Y CB 0.908 39.364 38.460 -0.006 0.000 1.138 8 Y HN 0.683 nan 8.280 nan 0.000 0.510 9 T N 4.922 119.342 114.554 -0.222 0.000 2.910 9 T HA 0.496 4.847 4.350 0.001 0.000 0.293 9 T C -0.411 174.192 174.700 -0.163 0.000 1.015 9 T CA -0.781 61.231 62.100 -0.147 0.000 1.094 9 T CB 0.573 69.358 68.868 -0.137 0.000 0.968 9 T HN 0.560 nan 8.240 nan 0.000 0.521 10 L N 3.793 124.968 121.223 -0.081 0.000 2.282 10 L HA 0.495 4.836 4.340 0.001 0.000 0.288 10 L C 1.227 178.051 176.870 -0.076 0.000 1.033 10 L CA -0.837 53.960 54.840 -0.072 0.000 0.807 10 L CB 1.468 43.496 42.059 -0.051 0.000 1.209 10 L HN 1.103 nan 8.230 nan 0.000 0.423 11 T N -1.824 112.678 114.554 -0.087 0.000 2.412 11 T HA 0.305 4.656 4.350 0.001 0.000 0.202 11 T C 0.330 174.984 174.700 -0.076 0.000 0.848 11 T CA -0.243 61.808 62.100 -0.082 0.000 1.196 11 T CB 1.217 70.027 68.868 -0.096 0.000 2.323 11 T HN 0.461 nan 8.240 nan 0.000 0.482 12 D N 0.231 120.572 120.400 -0.098 0.000 3.012 12 D HA 0.280 4.921 4.640 0.001 0.000 0.284 12 D C 1.534 177.704 176.300 -0.217 0.000 1.259 12 D CA 0.427 54.360 54.000 -0.112 0.000 1.036 12 D CB 0.340 41.108 40.800 -0.052 0.000 1.167 12 D HN 0.597 nan 8.370 nan 0.000 0.429 13 E N 1.160 121.209 120.200 -0.251 0.000 3.388 13 E HA 0.344 4.694 4.350 0.001 0.000 0.390 13 E C 1.793 178.193 176.600 -0.332 0.000 0.432 13 E CA 0.183 56.391 56.400 -0.321 0.000 2.109 13 E CB -0.100 29.469 29.700 -0.218 0.000 2.195 13 E HN 0.047 nan 8.360 nan 0.000 0.488 14 A N 1.450 124.056 122.820 -0.357 0.000 1.869 14 A HA -0.162 4.158 4.320 0.001 0.000 0.218 14 A C -0.501 176.537 177.584 -0.911 0.000 1.203 14 A CA 2.309 54.026 52.037 -0.535 0.000 0.638 14 A CB -1.986 16.775 19.000 -0.399 0.000 0.831 14 A HN 0.230 nan 8.150 nan 0.000 0.450 15 P HA -0.266 nan 4.420 nan 0.000 0.217 15 P C 1.819 178.870 177.300 -0.415 0.000 1.162 15 P CA 2.423 64.972 63.100 -0.919 0.000 0.901 15 P CB -0.251 31.115 31.700 -0.556 0.000 0.793 16 A N -0.649 121.996 122.820 -0.292 0.000 1.869 16 A HA -0.257 4.064 4.320 0.001 0.000 0.218 16 A C 2.297 179.915 177.584 0.057 0.000 1.203 16 A CA 2.220 54.205 52.037 -0.087 0.000 0.638 16 A CB -1.790 17.165 19.000 -0.075 0.000 0.831 16 A HN 0.109 nan 8.150 nan 0.000 0.450 17 L N -0.989 120.183 121.223 -0.086 0.000 1.971 17 L HA -0.271 4.069 4.340 0.001 0.000 0.215 17 L C 3.148 180.022 176.870 0.007 0.000 1.072 17 L CA 1.372 56.155 54.840 -0.095 0.000 0.758 17 L CB -0.838 40.990 42.059 -0.386 0.000 0.889 17 L HN 0.486 nan 8.230 nan 0.000 0.433 18 A N -0.072 122.668 122.820 -0.132 0.000 1.971 18 A HA -0.294 4.026 4.320 0.001 0.000 0.222 18 A C 2.321 179.975 177.584 0.117 0.000 1.182 18 A CA 2.731 54.788 52.037 0.034 0.000 0.649 18 A CB -1.197 17.784 19.000 -0.033 0.000 0.818 18 A HN 0.525 nan 8.150 nan 0.000 0.458 19 T N -1.419 113.188 114.554 0.089 0.000 2.833 19 T HA -0.166 4.185 4.350 0.001 0.000 0.269 19 T C 1.593 176.290 174.700 -0.004 0.000 1.054 19 T CA 1.643 63.785 62.100 0.071 0.000 1.135 19 T CB -0.494 68.410 68.868 0.061 0.000 0.869 19 T HN 0.585 nan 8.240 nan 0.000 0.466 20 Y N 1.119 121.402 120.300 -0.029 0.000 2.403 20 Y HA -0.047 4.504 4.550 0.001 0.000 0.291 20 Y C 2.913 178.791 175.900 -0.036 0.000 1.143 20 Y CA 0.772 58.857 58.100 -0.026 0.000 1.257 20 Y CB -0.378 38.073 38.460 -0.015 0.000 0.984 20 Y HN 0.224 nan 8.280 nan 0.000 0.550 21 S N -0.810 114.959 115.700 0.114 0.000 2.444 21 S HA -0.039 4.431 4.470 0.001 0.000 0.223 21 S C 1.847 176.357 174.600 -0.149 0.000 1.054 21 S CA 0.407 58.642 58.200 0.060 0.000 0.947 21 S CB -0.497 62.854 63.200 0.251 0.000 0.850 21 S HN 0.324 nan 8.310 nan 0.000 0.527 22 L N 1.846 122.830 121.223 -0.400 0.000 2.179 22 L HA 0.274 4.615 4.340 0.001 0.000 0.208 22 L C 2.074 178.775 176.870 -0.281 0.000 1.096 22 L CA 1.169 55.693 54.840 -0.527 0.000 0.779 22 L CB -0.553 41.104 42.059 -0.671 0.000 0.922 22 L HN 0.355 nan 8.230 nan 0.000 0.443 23 L N 0.905 121.976 121.223 -0.254 0.000 1.989 23 L HA -0.100 4.241 4.340 0.001 0.000 0.211 23 L C -0.320 176.431 176.870 -0.199 0.000 1.071 23 L CA 2.239 56.894 54.840 -0.309 0.000 0.749 23 L CB -2.132 39.776 42.059 -0.251 0.000 0.890 23 L HN 0.253 nan 8.230 nan 0.000 0.431 24 P HA -0.205 nan 4.420 nan 0.000 0.215 24 P C 2.109 179.374 177.300 -0.059 0.000 1.157 24 P CA 1.609 64.649 63.100 -0.099 0.000 0.868 24 P CB -0.007 31.633 31.700 -0.100 0.000 0.788 25 I N -0.177 120.357 120.570 -0.061 0.000 2.053 25 I HA -0.287 3.884 4.170 0.001 0.000 0.236 25 I C 2.684 178.854 176.117 0.088 0.000 1.038 25 I CA 1.707 63.032 61.300 0.041 0.000 1.304 25 I CB -0.927 37.074 38.000 0.001 0.000 1.023 25 I HN -0.180 nan 8.210 nan 0.000 0.395 26 I N 0.438 120.999 120.570 -0.016 0.000 2.181 26 I HA -0.396 3.775 4.170 0.001 0.000 0.247 26 I C 2.561 178.716 176.117 0.064 0.000 1.081 26 I CA 1.712 63.031 61.300 0.031 0.000 1.340 26 I CB -0.544 37.363 38.000 -0.155 0.000 1.036 26 I HN 0.265 nan 8.210 nan 0.000 0.417 27 K N 0.567 120.966 120.400 -0.002 0.000 2.209 27 K HA -0.130 4.190 4.320 0.001 0.000 0.204 27 K C 2.083 178.706 176.600 0.038 0.000 1.048 27 K CA 1.309 57.595 56.287 -0.002 0.000 0.940 27 K CB -0.069 32.402 32.500 -0.047 0.000 0.729 27 K HN 0.378 nan 8.250 nan 0.000 0.451 28 A N -0.421 122.463 122.820 0.106 0.000 2.021 28 A HA 0.006 4.327 4.320 0.001 0.000 0.216 28 A C 1.560 179.159 177.584 0.026 0.000 1.163 28 A CA 0.684 52.741 52.037 0.033 0.000 0.676 28 A CB -0.264 18.729 19.000 -0.011 0.000 0.818 28 A HN 0.202 nan 8.150 nan 0.000 0.453 29 F N 0.713 120.603 119.950 -0.100 0.000 2.335 29 F HA -0.016 4.512 4.527 0.001 0.000 0.296 29 F C 2.618 178.323 175.800 -0.157 0.000 1.091 29 F CA 1.615 59.525 58.000 -0.151 0.000 1.399 29 F CB -0.653 37.835 39.000 -0.853 0.000 1.067 29 F HN 0.277 nan 8.300 nan 0.000 0.520 30 T N -2.983 111.622 114.554 0.085 0.000 3.100 30 T HA 0.180 4.531 4.350 0.001 0.000 0.253 30 T C 2.248 176.958 174.700 0.016 0.000 1.118 30 T CA 0.619 62.743 62.100 0.041 0.000 1.058 30 T CB -0.576 68.324 68.868 0.053 0.000 0.953 30 T HN 0.230 nan 8.240 nan 0.000 0.515 31 G N 2.616 111.423 108.800 0.012 0.000 2.453 31 G HA2 -0.205 3.755 3.960 0.001 0.000 0.215 31 G HA3 -0.205 3.755 3.960 0.001 0.000 0.215 31 G C 1.746 176.635 174.900 -0.019 0.000 1.201 31 G CA 1.051 46.142 45.100 -0.014 0.000 0.784 31 G HN 0.696 nan 8.290 nan 0.000 0.545 32 S N -0.376 115.315 115.700 -0.015 0.000 2.720 32 S HA 0.229 4.700 4.470 0.001 0.000 0.222 32 S C 1.336 175.934 174.600 -0.003 0.000 0.958 32 S CA 0.773 58.966 58.200 -0.012 0.000 0.943 32 S CB 0.317 63.511 63.200 -0.009 0.000 0.779 32 S HN 0.072 nan 8.310 nan 0.000 0.526 33 S N 0.809 116.506 115.700 -0.006 0.000 2.601 33 S HA 0.518 4.989 4.470 0.001 0.000 0.244 33 S C 1.002 175.595 174.600 -0.012 0.000 1.001 33 S CA -0.101 58.092 58.200 -0.011 0.000 0.984 33 S CB 0.215 63.404 63.200 -0.018 0.000 0.842 33 S HN 0.943 nan 8.310 nan 0.000 0.474 34 G N 2.279 111.071 108.800 -0.013 0.000 2.323 34 G HA2 -0.251 3.710 3.960 0.001 0.000 0.292 34 G HA3 -0.251 3.710 3.960 0.001 0.000 0.292 34 G C -0.149 174.737 174.900 -0.023 0.000 1.040 34 G CA 0.145 45.236 45.100 -0.014 0.000 0.942 34 G HN 0.553 nan 8.290 nan 0.000 0.506 35 I N 0.172 120.729 120.570 -0.023 0.000 2.433 35 I HA 0.623 4.793 4.170 0.001 0.000 0.292 35 I C 0.491 176.595 176.117 -0.021 0.000 1.001 35 I CA -0.917 60.364 61.300 -0.031 0.000 1.119 35 I CB 2.120 40.106 38.000 -0.023 0.000 1.289 35 I HN 0.269 nan 8.210 nan 0.000 0.438 36 A N 6.480 129.285 122.820 -0.025 0.000 2.260 36 A HA 0.666 4.986 4.320 0.001 0.000 0.314 36 A C -0.551 177.032 177.584 -0.002 0.000 1.257 36 A CA -0.425 51.604 52.037 -0.012 0.000 0.871 36 A CB 0.767 19.761 19.000 -0.010 0.000 1.166 36 A HN 0.463 nan 8.150 nan 0.000 0.522 37 V N 4.444 124.359 119.914 0.002 0.000 2.275 37 V HA 0.235 4.356 4.120 0.001 0.000 0.272 37 V C 0.070 176.175 176.094 0.019 0.000 1.028 37 V CA -0.310 61.999 62.300 0.015 0.000 0.810 37 V CB 0.323 32.143 31.823 -0.005 0.000 1.043 37 V HN 0.990 nan 8.190 nan 0.000 0.453 38 E N 2.307 122.528 120.200 0.035 0.000 2.250 38 E HA 0.648 4.998 4.350 0.001 0.000 0.265 38 E C 0.024 176.658 176.600 0.057 0.000 1.033 38 E CA -0.604 55.816 56.400 0.033 0.000 0.888 38 E CB 1.929 31.645 29.700 0.027 0.000 1.151 38 E HN 0.705 nan 8.360 nan 0.000 0.412 39 T N -0.744 113.835 114.554 0.041 0.000 2.932 39 T HA 0.629 4.979 4.350 0.001 0.000 0.289 39 T C -0.278 174.437 174.700 0.024 0.000 1.039 39 T CA -1.123 61.005 62.100 0.048 0.000 1.024 39 T CB 1.427 70.313 68.868 0.031 0.000 1.090 39 T HN 0.167 nan 8.240 nan 0.000 0.496 40 R N 1.564 122.072 120.500 0.014 0.000 2.574 40 R HA 0.393 4.733 4.340 0.001 0.000 0.288 40 R C -1.647 174.644 176.300 -0.014 0.000 1.004 40 R CA -0.712 55.388 56.100 0.000 0.000 0.895 40 R CB 1.847 32.147 30.300 -0.001 0.000 1.191 40 R HN 0.858 nan 8.270 nan 0.000 0.444 41 D N 3.844 124.234 120.400 -0.016 0.000 2.411 41 D HA 0.152 4.792 4.640 0.001 0.000 0.225 41 D C 0.991 177.272 176.300 -0.032 0.000 1.156 41 D CA -0.351 53.633 54.000 -0.026 0.000 0.874 41 D CB 0.514 41.300 40.800 -0.023 0.000 1.034 41 D HN 0.626 nan 8.370 nan 0.000 0.502 42 I N 0.922 121.468 120.570 -0.040 0.000 4.025 42 I HA 0.193 4.364 4.170 0.001 0.000 0.336 42 I C 0.831 176.921 176.117 -0.045 0.000 1.390 42 I CA -0.655 60.621 61.300 -0.040 0.000 1.099 42 I CB -0.018 37.958 38.000 -0.040 0.000 1.049 42 I HN 0.157 nan 8.210 nan 0.000 0.394 43 S N 1.269 116.939 115.700 -0.050 0.000 2.589 43 S HA -0.004 4.467 4.470 0.001 0.000 0.256 43 S C 1.206 175.772 174.600 -0.056 0.000 1.383 43 S CA -0.207 57.962 58.200 -0.050 0.000 0.983 43 S CB 0.949 64.120 63.200 -0.048 0.000 0.908 43 S HN 0.490 nan 8.310 nan 0.000 0.572 44 L N 0.981 122.172 121.223 -0.053 0.000 1.976 44 L HA -0.064 4.276 4.340 0.001 0.000 0.209 44 L C 2.908 179.712 176.870 -0.111 0.000 1.071 44 L CA 2.035 56.824 54.840 -0.085 0.000 0.746 44 L CB -1.393 40.595 42.059 -0.118 0.000 0.890 44 L HN 0.990 nan 8.230 nan 0.000 0.432 45 A N -0.007 122.738 122.820 -0.126 0.000 1.873 45 A HA -0.218 4.102 4.320 0.001 0.000 0.218 45 A C 2.285 179.752 177.584 -0.196 0.000 1.193 45 A CA 1.997 53.921 52.037 -0.188 0.000 0.629 45 A CB -1.592 17.263 19.000 -0.242 0.000 0.826 45 A HN 0.574 nan 8.150 nan 0.000 0.447 46 G N -0.931 107.757 108.800 -0.186 0.000 2.446 46 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 46 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 46 G C 1.723 176.586 174.900 -0.062 0.000 1.168 46 G CA 1.241 46.262 45.100 -0.131 0.000 0.771 46 G HN 0.542 nan 8.290 nan 0.000 0.551 47 R N -0.340 120.130 120.500 -0.051 0.000 2.139 47 R HA -0.031 4.309 4.340 0.001 0.000 0.243 47 R C 2.461 178.775 176.300 0.023 0.000 1.145 47 R CA 1.204 57.293 56.100 -0.018 0.000 0.976 47 R CB -0.262 30.023 30.300 -0.025 0.000 0.866 47 R HN 0.450 nan 8.270 nan 0.000 0.449 48 L N -0.779 120.457 121.223 0.022 0.000 2.102 48 L HA 0.017 4.357 4.340 0.001 0.000 0.202 48 L C 2.084 179.034 176.870 0.133 0.000 1.076 48 L CA 0.863 55.772 54.840 0.114 0.000 0.761 48 L CB -0.343 41.750 42.059 0.056 0.000 0.921 48 L HN 0.087 nan 8.230 nan 0.000 0.444 49 I N 0.518 121.112 120.570 0.040 0.000 2.502 49 I HA -0.301 3.870 4.170 0.001 0.000 0.258 49 I C 2.441 178.611 176.117 0.090 0.000 1.172 49 I CA 1.183 62.517 61.300 0.058 0.000 1.430 49 I CB -0.506 37.497 38.000 0.005 0.000 1.086 49 I HN 0.275 nan 8.210 nan 0.000 0.440 50 A N -0.018 122.842 122.820 0.067 0.000 2.147 50 A HA -0.012 4.308 4.320 0.001 0.000 0.211 50 A C 2.235 179.845 177.584 0.043 0.000 1.160 50 A CA 0.927 52.993 52.037 0.048 0.000 0.781 50 A CB -0.462 18.548 19.000 0.017 0.000 0.842 50 A HN 0.318 nan 8.150 nan 0.000 0.475 51 T N -0.714 113.891 114.554 0.085 0.000 2.942 51 T HA 0.082 4.432 4.350 0.001 0.000 0.265 51 T C -0.036 174.543 174.700 -0.201 0.000 1.062 51 T CA 0.810 62.889 62.100 -0.035 0.000 1.139 51 T CB -0.282 68.607 68.868 0.035 0.000 0.883 51 T HN 0.335 nan 8.240 nan 0.000 0.468 52 F N 1.016 120.959 119.950 -0.011 0.000 2.438 52 F HA 0.379 4.907 4.527 0.001 0.000 0.315 52 F C -2.058 173.809 175.800 0.111 0.000 1.258 52 F CA -2.907 55.133 58.000 0.066 0.000 1.180 52 F CB 1.101 40.138 39.000 0.061 0.000 1.412 52 F HN -0.018 nan 8.300 nan 0.000 0.544 53 P HA -0.228 nan 4.420 nan 0.000 0.218 53 P C 1.712 179.077 177.300 0.108 0.000 1.148 53 P CA 1.428 64.593 63.100 0.108 0.000 0.822 53 P CB 0.154 31.879 31.700 0.040 0.000 0.784 54 E N -0.587 119.666 120.200 0.089 0.000 2.118 54 E HA -0.234 4.117 4.350 0.001 0.000 0.195 54 E C 1.302 177.877 176.600 -0.042 0.000 0.992 54 E CA 1.474 57.863 56.400 -0.018 0.000 0.804 54 E CB -1.246 28.383 29.700 -0.118 0.000 0.741 54 E HN 0.305 nan 8.360 nan 0.000 0.458 55 Y N 1.156 121.522 120.300 0.111 0.000 2.519 55 Y HA 0.201 4.751 4.550 0.001 0.000 0.287 55 Y C 1.295 177.239 175.900 0.073 0.000 1.128 55 Y CA 0.157 58.311 58.100 0.091 0.000 1.282 55 Y CB 0.144 38.659 38.460 0.090 0.000 1.027 55 Y HN -0.069 nan 8.280 nan 0.000 0.551 56 L N -0.441 120.908 121.223 0.210 0.000 2.416 56 L HA 0.402 4.743 4.340 0.001 0.000 0.262 56 L C 0.790 177.718 176.870 0.097 0.000 1.093 56 L CA -0.950 53.978 54.840 0.147 0.000 0.801 56 L CB 0.806 42.949 42.059 0.141 0.000 1.191 56 L HN -0.052 nan 8.230 nan 0.000 0.459 57 T N -4.193 110.412 114.554 0.085 0.000 2.849 57 T HA 0.154 4.504 4.350 0.001 0.000 0.276 57 T C 0.593 175.326 174.700 0.055 0.000 0.971 57 T CA -0.613 61.523 62.100 0.061 0.000 0.949 57 T CB 1.145 70.047 68.868 0.057 0.000 1.093 57 T HN 0.520 nan 8.240 nan 0.000 0.545 58 D N 1.058 121.483 120.400 0.041 0.000 2.133 58 D HA -0.102 4.538 4.640 0.001 0.000 0.192 58 D C 2.101 178.425 176.300 0.042 0.000 1.001 58 D CA 2.245 56.266 54.000 0.036 0.000 0.844 58 D CB -0.508 40.308 40.800 0.027 0.000 0.944 58 D HN 0.851 nan 8.370 nan 0.000 0.447 59 T N -1.950 112.631 114.554 0.045 0.000 3.188 59 T HA 0.053 4.404 4.350 0.001 0.000 0.250 59 T C 1.064 175.803 174.700 0.066 0.000 1.077 59 T CA -0.136 61.993 62.100 0.048 0.000 0.967 59 T CB -0.064 68.828 68.868 0.039 0.000 1.006 59 T HN 0.318 nan 8.240 nan 0.000 0.552 60 Q N -0.267 119.580 119.800 0.078 0.000 2.189 60 Q HA 0.381 4.722 4.340 0.001 0.000 0.223 60 Q C 0.692 176.754 176.000 0.103 0.000 0.828 60 Q CA -0.612 55.254 55.803 0.105 0.000 0.967 60 Q CB 0.513 29.323 28.738 0.121 0.000 1.139 60 Q HN 0.294 nan 8.270 nan 0.000 0.497 61 K N 1.567 122.015 120.400 0.080 0.000 2.118 61 K HA 0.451 4.771 4.320 0.001 0.000 0.240 61 K C -1.008 175.628 176.600 0.061 0.000 1.035 61 K CA -0.341 55.988 56.287 0.070 0.000 0.899 61 K CB 0.775 33.308 32.500 0.054 0.000 1.085 61 K HN 0.241 nan 8.250 nan 0.000 0.498 62 I N 1.559 122.158 120.570 0.048 0.000 2.740 62 I HA -0.037 4.134 4.170 0.001 0.000 0.281 62 I C -0.833 175.298 176.117 0.023 0.000 1.427 62 I CA -0.310 61.012 61.300 0.037 0.000 1.110 62 I CB 1.312 39.334 38.000 0.038 0.000 1.416 62 I HN 0.854 nan 8.210 nan 0.000 0.429 63 S N 3.659 119.370 115.700 0.018 0.000 2.806 63 S HA -0.149 4.321 4.470 0.001 0.000 0.334 63 S C 0.062 174.665 174.600 0.005 0.000 1.226 63 S CA 0.080 58.286 58.200 0.011 0.000 1.017 63 S CB 0.284 63.490 63.200 0.010 0.000 0.712 63 S HN 0.671 nan 8.310 nan 0.000 0.491 64 D N 1.224 121.624 120.400 0.000 0.000 2.435 64 D HA 0.160 4.801 4.640 0.001 0.000 0.230 64 D C 0.349 176.645 176.300 -0.006 0.000 1.215 64 D CA -0.439 53.558 54.000 -0.005 0.000 0.947 64 D CB 0.091 40.884 40.800 -0.013 0.000 1.048 64 D HN 0.457 nan 8.370 nan 0.000 0.512 65 D N 3.188 123.584 120.400 -0.006 0.000 2.234 65 D HA -0.108 4.532 4.640 0.001 0.000 0.205 65 D C 2.022 178.316 176.300 -0.010 0.000 0.962 65 D CA 0.117 54.113 54.000 -0.006 0.000 0.855 65 D CB 0.324 41.119 40.800 -0.007 0.000 0.951 65 D HN 0.430 nan 8.370 nan 0.000 0.500 66 L N 1.021 122.236 121.223 -0.013 0.000 1.970 66 L HA -0.212 4.128 4.340 0.001 0.000 0.212 66 L C 2.331 179.194 176.870 -0.012 0.000 1.071 66 L CA 1.572 56.403 54.840 -0.015 0.000 0.751 66 L CB -0.290 41.759 42.059 -0.017 0.000 0.889 66 L HN -0.028 nan 8.230 nan 0.000 0.432 67 A N -0.752 122.060 122.820 -0.013 0.000 1.948 67 A HA -0.295 4.026 4.320 0.001 0.000 0.220 67 A C 2.220 179.800 177.584 -0.007 0.000 1.177 67 A CA 2.071 54.101 52.037 -0.011 0.000 0.636 67 A CB -0.638 18.353 19.000 -0.015 0.000 0.815 67 A HN 0.633 nan 8.150 nan 0.000 0.449 68 E N -0.105 120.092 120.200 -0.004 0.000 2.028 68 E HA -0.123 4.227 4.350 0.001 0.000 0.190 68 E C 2.047 178.648 176.600 0.003 0.000 0.984 68 E CA 0.999 57.400 56.400 0.001 0.000 0.800 68 E CB -0.214 29.487 29.700 0.003 0.000 0.758 68 E HN 0.634 nan 8.360 nan 0.000 0.448 69 L N 0.430 121.653 121.223 0.000 0.000 2.042 69 L HA -0.164 4.177 4.340 0.001 0.000 0.210 69 L C 2.694 179.564 176.870 -0.001 0.000 1.076 69 L CA 1.312 56.152 54.840 0.000 0.000 0.749 69 L CB -0.889 41.166 42.059 -0.006 0.000 0.893 69 L HN 0.301 nan 8.230 nan 0.000 0.432 70 G N -0.006 108.791 108.800 -0.005 0.000 2.503 70 G HA2 -0.297 3.664 3.960 0.001 0.000 0.221 70 G HA3 -0.297 3.664 3.960 0.001 0.000 0.221 70 G C 1.732 176.631 174.900 -0.001 0.000 1.131 70 G CA 1.001 46.098 45.100 -0.005 0.000 0.756 70 G HN 0.350 nan 8.290 nan 0.000 0.572 71 K N -0.624 119.777 120.400 0.002 0.000 2.021 71 K HA 0.129 4.450 4.320 0.001 0.000 0.205 71 K C 2.371 178.978 176.600 0.011 0.000 1.047 71 K CA 0.681 56.971 56.287 0.006 0.000 0.943 71 K CB -0.430 32.075 32.500 0.008 0.000 0.725 71 K HN 0.237 nan 8.250 nan 0.000 0.439 72 L N 1.703 122.934 121.223 0.014 0.000 2.151 72 L HA -0.249 4.092 4.340 0.001 0.000 0.215 72 L C 2.126 179.008 176.870 0.021 0.000 1.084 72 L CA 1.869 56.722 54.840 0.023 0.000 0.764 72 L CB -0.515 41.559 42.059 0.024 0.000 0.891 72 L HN 0.166 nan 8.230 nan 0.000 0.435 73 A N -1.511 121.314 122.820 0.008 0.000 1.969 73 A HA -0.185 4.136 4.320 0.001 0.000 0.218 73 A C 2.315 179.899 177.584 0.001 0.000 1.169 73 A CA 1.921 53.957 52.037 -0.002 0.000 0.635 73 A CB -1.122 17.869 19.000 -0.015 0.000 0.810 73 A HN 0.636 nan 8.150 nan 0.000 0.445 74 T N -2.118 112.440 114.554 0.006 0.000 3.081 74 T HA 0.086 4.436 4.350 0.001 0.000 0.255 74 T C 0.907 175.619 174.700 0.019 0.000 1.113 74 T CA 0.904 63.009 62.100 0.008 0.000 1.082 74 T CB -0.984 67.888 68.868 0.007 0.000 0.939 74 T HN 0.525 nan 8.240 nan 0.000 0.506 75 T N -0.323 114.248 114.554 0.028 0.000 2.913 75 T HA 0.430 4.781 4.350 0.001 0.000 0.287 75 T C -2.027 172.707 174.700 0.058 0.000 1.008 75 T CA -1.762 60.363 62.100 0.040 0.000 1.067 75 T CB 1.441 70.336 68.868 0.045 0.000 0.996 75 T HN -0.170 nan 8.240 nan 0.000 0.513 76 P HA -0.009 nan 4.420 nan 0.000 0.218 76 P C 0.651 178.038 177.300 0.146 0.000 1.149 76 P CA 0.801 63.954 63.100 0.088 0.000 0.817 76 P CB 0.059 31.795 31.700 0.060 0.000 0.785 77 D N -0.696 119.794 120.400 0.150 0.000 2.325 77 D HA 0.130 4.771 4.640 0.001 0.000 0.234 77 D C 0.628 177.051 176.300 0.205 0.000 1.122 77 D CA 0.126 54.262 54.000 0.226 0.000 0.850 77 D CB -0.349 40.591 40.800 0.234 0.000 0.921 77 D HN 0.096 nan 8.370 nan 0.000 0.513 78 A N 1.363 124.277 122.820 0.157 0.000 2.477 78 A HA 0.211 4.532 4.320 0.001 0.000 0.246 78 A C 0.500 178.170 177.584 0.144 0.000 1.078 78 A CA 0.031 52.135 52.037 0.112 0.000 0.770 78 A CB 0.294 19.328 19.000 0.056 0.000 1.011 78 A HN 0.092 nan 8.150 nan 0.000 0.494 79 N N 2.110 120.892 118.700 0.136 0.000 2.827 79 N HA 0.263 5.003 4.740 0.001 0.000 0.240 79 N C -1.705 173.911 175.510 0.176 0.000 1.352 79 N CA -0.197 52.973 53.050 0.200 0.000 0.760 79 N CB 0.424 39.044 38.487 0.221 0.000 1.426 79 N HN 0.543 nan 8.380 nan 0.000 0.561 80 I N 3.117 123.795 120.570 0.179 0.000 2.433 80 I HA 0.481 4.651 4.170 0.001 0.000 0.292 80 I C 0.251 176.477 176.117 0.182 0.000 1.001 80 I CA -0.808 60.569 61.300 0.129 0.000 1.119 80 I CB 2.211 40.237 38.000 0.043 0.000 1.289 80 I HN 0.220 nan 8.210 nan 0.000 0.438 81 I N 5.691 126.335 120.570 0.125 0.000 2.297 81 I HA 0.225 4.395 4.170 0.001 0.000 0.291 81 I C -0.127 175.942 176.117 -0.081 0.000 1.033 81 I CA -0.569 60.781 61.300 0.084 0.000 1.253 81 I CB 1.108 39.176 38.000 0.114 0.000 1.396 81 I HN 0.427 nan 8.210 nan 0.000 0.476 82 K N 7.374 127.740 120.400 -0.056 0.000 2.293 82 K HA 0.536 4.857 4.320 0.001 0.000 0.267 82 K C -1.247 175.292 176.600 -0.103 0.000 1.010 82 K CA -0.348 55.882 56.287 -0.095 0.000 0.875 82 K CB 0.781 33.249 32.500 -0.055 0.000 1.106 82 K HN 0.353 nan 8.250 nan 0.000 0.450 83 L N 5.910 127.040 121.223 -0.156 0.000 2.416 83 L HA 0.558 4.898 4.340 0.001 0.000 0.262 83 L C -2.038 174.809 176.870 -0.039 0.000 1.093 83 L CA -2.113 52.671 54.840 -0.094 0.000 0.801 83 L CB 0.629 42.593 42.059 -0.158 0.000 1.191 83 L HN 0.633 nan 8.230 nan 0.000 0.459 84 P HA 0.088 nan 4.420 nan 0.000 0.267 84 P C -1.356 175.936 177.300 -0.013 0.000 1.200 84 P CA -0.032 63.091 63.100 0.039 0.000 0.772 84 P CB 0.263 32.045 31.700 0.137 0.000 0.855 85 N N 1.742 120.436 118.700 -0.010 0.000 2.277 85 N HA 0.258 4.999 4.740 0.001 0.000 0.286 85 N C -0.802 174.702 175.510 -0.011 0.000 1.140 85 N CA -0.792 52.243 53.050 -0.026 0.000 0.799 85 N CB 1.197 39.663 38.487 -0.035 0.000 1.596 85 N HN 0.151 nan 8.380 nan 0.000 0.473 86 I N 1.105 121.671 120.570 -0.007 0.000 2.741 86 I HA -0.083 4.088 4.170 0.001 0.000 0.288 86 I C 0.433 176.540 176.117 -0.018 0.000 1.192 86 I CA 0.507 61.812 61.300 0.008 0.000 1.426 86 I CB 0.320 38.347 38.000 0.044 0.000 1.367 86 I HN 0.418 nan 8.210 nan 0.000 0.563 87 S N 6.488 122.174 115.700 -0.024 0.000 2.464 87 S HA 0.429 4.899 4.470 0.001 0.000 0.313 87 S C 0.418 174.979 174.600 -0.065 0.000 1.078 87 S CA -0.742 57.425 58.200 -0.056 0.000 1.096 87 S CB 0.612 63.771 63.200 -0.068 0.000 1.032 87 S HN 0.718 nan 8.310 nan 0.000 0.498 88 A N 3.083 125.857 122.820 -0.077 0.000 2.520 88 A HA 0.425 4.746 4.320 0.001 0.000 0.235 88 A C 0.620 178.140 177.584 -0.107 0.000 1.065 88 A CA -0.053 51.928 52.037 -0.094 0.000 0.764 88 A CB 0.297 19.217 19.000 -0.134 0.000 1.002 88 A HN 0.575 nan 8.150 nan 0.000 0.502 89 S N 1.312 116.949 115.700 -0.104 0.000 2.482 89 S HA 0.380 4.850 4.470 0.001 0.000 0.303 89 S C 1.215 175.745 174.600 -0.116 0.000 1.091 89 S CA -0.421 57.710 58.200 -0.115 0.000 1.057 89 S CB 1.296 64.425 63.200 -0.118 0.000 1.031 89 S HN 0.770 nan 8.310 nan 0.000 0.485 90 V N 5.604 125.449 119.914 -0.115 0.000 2.252 90 V HA -0.153 3.967 4.120 0.001 0.000 0.255 90 V C -1.425 174.605 176.094 -0.107 0.000 1.071 90 V CA 2.040 64.271 62.300 -0.114 0.000 1.050 90 V CB -1.696 30.072 31.823 -0.092 0.000 0.654 90 V HN 0.693 nan 8.190 nan 0.000 0.448 91 P HA -0.094 nan 4.420 nan 0.000 0.279 91 P C 1.093 178.363 177.300 -0.049 0.000 1.278 91 P CA 0.394 63.466 63.100 -0.047 0.000 0.846 91 P CB -0.044 31.640 31.700 -0.027 0.000 1.218 92 Q N -0.848 118.947 119.800 -0.008 0.000 2.318 92 Q HA -0.239 4.102 4.340 0.001 0.000 0.216 92 Q C 1.923 177.919 176.000 -0.007 0.000 1.004 92 Q CA 1.855 57.668 55.803 0.016 0.000 0.932 92 Q CB -1.717 27.059 28.738 0.062 0.000 0.946 92 Q HN 0.433 nan 8.270 nan 0.000 0.419 93 L N 0.607 121.818 121.223 -0.021 0.000 1.899 93 L HA -0.205 4.135 4.340 0.001 0.000 0.223 93 L C 2.743 179.442 176.870 -0.284 0.000 1.088 93 L CA 1.910 56.694 54.840 -0.093 0.000 0.788 93 L CB -0.721 41.306 42.059 -0.053 0.000 0.889 93 L HN 0.229 nan 8.230 nan 0.000 0.431 94 K N -0.172 120.083 120.400 -0.242 0.000 2.032 94 K HA -0.222 4.098 4.320 0.001 0.000 0.209 94 K C 2.019 178.404 176.600 -0.358 0.000 1.048 94 K CA 1.570 57.671 56.287 -0.311 0.000 0.927 94 K CB -0.145 32.195 32.500 -0.267 0.000 0.712 94 K HN 0.372 nan 8.250 nan 0.000 0.441 95 A N 1.227 123.887 122.820 -0.266 0.000 1.834 95 A HA -0.162 4.158 4.320 0.001 0.000 0.216 95 A C 2.395 179.853 177.584 -0.211 0.000 1.203 95 A CA 2.367 54.264 52.037 -0.234 0.000 0.621 95 A CB -1.230 17.696 19.000 -0.123 0.000 0.841 95 A HN 0.506 nan 8.150 nan 0.000 0.446 96 A N 0.054 122.798 122.820 -0.126 0.000 1.986 96 A HA -0.137 4.183 4.320 0.001 0.000 0.220 96 A C 2.056 179.596 177.584 -0.074 0.000 1.171 96 A CA 1.845 53.860 52.037 -0.036 0.000 0.640 96 A CB -0.657 18.412 19.000 0.114 0.000 0.811 96 A HN 1.038 nan 8.150 nan 0.000 0.451 97 I N -1.370 118.999 120.570 -0.335 0.000 2.761 97 I HA -0.057 4.113 4.170 0.001 0.000 0.261 97 I C 1.741 177.682 176.117 -0.294 0.000 1.198 97 I CA 2.080 63.157 61.300 -0.372 0.000 1.482 97 I CB -1.062 36.418 38.000 -0.866 0.000 1.100 97 I HN 0.302 nan 8.210 nan 0.000 0.445 98 K N 1.838 122.027 120.400 -0.352 0.000 2.063 98 K HA -0.224 4.097 4.320 0.001 0.000 0.208 98 K C 2.167 178.576 176.600 -0.318 0.000 1.048 98 K CA 2.294 58.343 56.287 -0.396 0.000 0.928 98 K CB -0.061 32.100 32.500 -0.565 0.000 0.713 98 K HN 0.738 nan 8.250 nan 0.000 0.442 99 E N 0.156 120.215 120.200 -0.235 0.000 2.250 99 E HA -0.120 4.230 4.350 0.001 0.000 0.192 99 E C 1.923 178.461 176.600 -0.103 0.000 0.986 99 E CA 0.313 56.632 56.400 -0.135 0.000 0.849 99 E CB -0.278 29.401 29.700 -0.035 0.000 0.797 99 E HN 0.185 nan 8.360 nan 0.000 0.482 100 L N 1.311 122.474 121.223 -0.100 0.000 2.263 100 L HA -0.213 4.128 4.340 0.001 0.000 0.216 100 L C 1.825 178.429 176.870 -0.443 0.000 1.111 100 L CA 1.709 56.488 54.840 -0.102 0.000 0.773 100 L CB -0.389 41.698 42.059 0.046 0.000 0.906 100 L HN 0.159 nan 8.230 nan 0.000 0.439 101 Q N -0.619 118.935 119.800 -0.409 0.000 1.808 101 Q HA -0.091 4.250 4.340 0.001 0.000 0.286 101 Q C 1.891 177.799 176.000 -0.154 0.000 0.955 101 Q CA 1.170 56.676 55.803 -0.494 0.000 0.877 101 Q CB -0.707 27.882 28.738 -0.248 0.000 0.917 101 Q HN 0.561 nan 8.270 nan 0.000 0.436 102 Q N 1.189 120.944 119.800 -0.075 0.000 2.062 102 Q HA -0.372 3.968 4.340 0.001 0.000 0.216 102 Q C 2.063 178.119 176.000 0.093 0.000 1.052 102 Q CA 2.391 58.204 55.803 0.017 0.000 0.910 102 Q CB -0.599 28.131 28.738 -0.013 0.000 1.043 102 Q HN 0.393 nan 8.270 nan 0.000 0.425 103 Q N -0.564 119.280 119.800 0.075 0.000 2.175 103 Q HA -0.303 4.037 4.340 0.001 0.000 0.234 103 Q C 1.703 177.802 176.000 0.164 0.000 1.081 103 Q CA 2.558 58.430 55.803 0.115 0.000 0.940 103 Q CB -0.773 28.032 28.738 0.112 0.000 1.032 103 Q HN 0.559 nan 8.270 nan 0.000 0.478 104 G N -2.828 106.144 108.800 0.288 0.000 3.044 104 G HA2 0.154 4.114 3.960 0.001 0.000 0.223 104 G HA3 0.154 4.114 3.960 0.001 0.000 0.223 104 G C 0.022 175.053 174.900 0.218 0.000 1.123 104 G CA 0.253 45.480 45.100 0.212 0.000 0.765 104 G HN 0.269 nan 8.290 nan 0.000 0.546 105 Y N 1.321 121.635 120.300 0.022 0.000 3.115 105 Y HA 0.371 4.922 4.550 0.001 0.000 0.252 105 Y C 1.801 177.724 175.900 0.038 0.000 0.907 105 Y CA -0.602 57.513 58.100 0.025 0.000 1.261 105 Y CB -0.637 37.846 38.460 0.038 0.000 1.128 105 Y HN -0.162 nan 8.280 nan 0.000 0.541 106 K N 0.418 120.982 120.400 0.272 0.000 3.018 106 K HA 0.345 4.665 4.320 0.001 0.000 0.341 106 K C -0.816 175.847 176.600 0.104 0.000 1.018 106 K CA 0.060 56.442 56.287 0.158 0.000 1.146 106 K CB -0.426 32.161 32.500 0.145 0.000 1.160 106 K HN 0.234 nan 8.250 nan 0.000 0.471 107 L N -0.459 120.811 121.223 0.078 0.000 2.685 107 L HA 0.306 4.647 4.340 0.001 0.000 0.297 107 L C -2.607 174.250 176.870 -0.022 0.000 1.367 107 L CA -0.960 53.916 54.840 0.059 0.000 0.703 107 L CB 0.563 42.693 42.059 0.118 0.000 1.039 107 L HN 0.281 nan 8.230 nan 0.000 0.529 108 P HA 0.213 nan 4.420 nan 0.000 0.330 108 P C -0.777 176.216 177.300 -0.512 0.000 1.436 108 P CA 0.368 63.220 63.100 -0.413 0.000 0.845 108 P CB 0.369 31.837 31.700 -0.388 0.000 2.027 109 D N -4.141 115.928 120.400 -0.551 0.000 2.665 109 D HA 0.280 4.920 4.640 0.001 0.000 0.287 109 D C -1.176 174.947 176.300 -0.296 0.000 1.266 109 D CA -0.559 53.233 54.000 -0.348 0.000 0.830 109 D CB -0.119 40.420 40.800 -0.436 0.000 1.356 109 D HN 0.101 nan 8.370 nan 0.000 0.437 110 Y N -0.615 119.645 120.300 -0.066 0.000 2.408 110 Y HA 0.493 5.043 4.550 0.001 0.000 0.324 110 Y C -1.476 174.432 175.900 0.013 0.000 1.302 110 Y CA -1.187 56.879 58.100 -0.056 0.000 1.384 110 Y CB 0.190 38.618 38.460 -0.053 0.000 1.367 110 Y HN 0.188 nan 8.280 nan 0.000 0.525 111 P HA 0.062 nan 4.420 nan 0.000 0.342 111 P C 0.245 177.592 177.300 0.078 0.000 1.384 111 P CA 0.066 63.207 63.100 0.069 0.000 0.837 111 P CB 0.232 31.914 31.700 -0.031 0.000 2.025 112 E N 0.044 120.267 120.200 0.039 0.000 3.620 112 E HA -0.391 3.960 4.350 0.001 0.000 0.491 112 E C 0.325 176.943 176.600 0.030 0.000 1.639 112 E CA 1.618 58.032 56.400 0.024 0.000 1.210 112 E CB -1.485 28.220 29.700 0.008 0.000 1.098 112 E HN 0.502 nan 8.360 nan 0.000 0.362 113 E N 3.339 123.554 120.200 0.026 0.000 1.963 113 E HA 0.266 4.616 4.350 0.001 0.000 0.274 113 E C -2.402 174.220 176.600 0.035 0.000 1.061 113 E CA -2.146 54.270 56.400 0.026 0.000 0.847 113 E CB 0.745 30.456 29.700 0.018 0.000 1.083 113 E HN 0.084 nan 8.360 nan 0.000 0.402 114 P HA 0.081 nan 4.420 nan 0.000 0.271 114 P C -0.301 177.022 177.300 0.039 0.000 1.216 114 P CA -0.247 62.881 63.100 0.048 0.000 0.771 114 P CB 0.909 32.641 31.700 0.054 0.000 0.864 115 K N 0.113 120.536 120.400 0.038 0.000 2.477 115 K HA 0.166 4.487 4.320 0.001 0.000 0.208 115 K C 0.321 176.941 176.600 0.033 0.000 1.117 115 K CA 0.421 56.727 56.287 0.032 0.000 1.039 115 K CB 0.610 33.126 32.500 0.027 0.000 0.937 115 K HN 0.586 nan 8.250 nan 0.000 0.570 116 T N -2.102 112.475 114.554 0.040 0.000 2.900 116 T HA 0.333 4.683 4.350 0.001 0.000 0.295 116 T C 0.418 175.145 174.700 0.046 0.000 1.044 116 T CA -0.636 61.488 62.100 0.041 0.000 0.995 116 T CB 1.977 70.871 68.868 0.044 0.000 1.072 116 T HN -0.255 nan 8.240 nan 0.000 0.473 117 D N 1.456 121.881 120.400 0.041 0.000 2.271 117 D HA -0.066 4.574 4.640 0.001 0.000 0.207 117 D C 1.788 178.120 176.300 0.053 0.000 0.983 117 D CA 1.399 55.424 54.000 0.042 0.000 0.878 117 D CB -0.230 40.590 40.800 0.034 0.000 0.920 117 D HN 0.702 nan 8.370 nan 0.000 0.479 118 T N 0.252 114.844 114.554 0.064 0.000 2.894 118 T HA -0.024 4.327 4.350 0.001 0.000 0.258 118 T C 1.770 176.528 174.700 0.098 0.000 1.043 118 T CA 0.544 62.696 62.100 0.087 0.000 1.141 118 T CB 0.074 69.001 68.868 0.098 0.000 0.873 118 T HN 0.238 nan 8.240 nan 0.000 0.449 119 E N 1.290 121.541 120.200 0.086 0.000 2.106 119 E HA -0.100 4.250 4.350 0.001 0.000 0.192 119 E C 2.239 178.891 176.600 0.088 0.000 0.984 119 E CA 0.904 57.359 56.400 0.092 0.000 0.806 119 E CB -0.027 29.720 29.700 0.078 0.000 0.750 119 E HN 0.433 nan 8.360 nan 0.000 0.458 120 K N 0.810 121.253 120.400 0.070 0.000 2.002 120 K HA -0.153 4.167 4.320 0.001 0.000 0.209 120 K C 1.855 178.493 176.600 0.063 0.000 1.048 120 K CA 1.573 57.898 56.287 0.062 0.000 0.930 120 K CB -0.099 32.430 32.500 0.049 0.000 0.714 120 K HN -0.027 nan 8.250 nan 0.000 0.438 121 D N 0.177 120.613 120.400 0.060 0.000 2.182 121 D HA -0.141 4.500 4.640 0.001 0.000 0.201 121 D C 1.688 178.023 176.300 0.057 0.000 0.986 121 D CA 0.839 54.868 54.000 0.049 0.000 0.847 121 D CB 0.129 40.959 40.800 0.051 0.000 0.942 121 D HN -0.062 nan 8.370 nan 0.000 0.467 122 V N 0.313 120.286 119.914 0.099 0.000 2.346 122 V HA -0.118 4.003 4.120 0.001 0.000 0.244 122 V C 2.325 178.504 176.094 0.141 0.000 1.037 122 V CA 1.022 63.399 62.300 0.129 0.000 1.029 122 V CB -0.378 31.535 31.823 0.149 0.000 0.663 122 V HN 0.139 nan 8.190 nan 0.000 0.454 123 K N 1.050 121.540 120.400 0.151 0.000 2.097 123 K HA -0.152 4.168 4.320 0.001 0.000 0.206 123 K C 2.107 178.784 176.600 0.127 0.000 1.049 123 K CA 1.795 58.181 56.287 0.164 0.000 0.933 123 K CB -0.419 32.148 32.500 0.111 0.000 0.717 123 K HN 0.410 nan 8.250 nan 0.000 0.442 124 A N 1.333 124.201 122.820 0.081 0.000 1.972 124 A HA -0.125 4.196 4.320 0.001 0.000 0.219 124 A C 2.208 179.811 177.584 0.031 0.000 1.169 124 A CA 1.222 53.288 52.037 0.049 0.000 0.635 124 A CB -0.309 18.710 19.000 0.030 0.000 0.810 124 A HN 0.313 nan 8.150 nan 0.000 0.446 125 R N -2.382 118.124 120.500 0.011 0.000 2.100 125 R HA 0.028 4.368 4.340 0.001 0.000 0.220 125 R C 1.936 178.256 176.300 0.034 0.000 1.091 125 R CA 1.121 57.183 56.100 -0.065 0.000 0.986 125 R CB -0.308 29.836 30.300 -0.260 0.000 0.888 125 R HN 0.725 nan 8.270 nan 0.000 0.444 126 Y N 1.089 121.473 120.300 0.141 0.000 2.200 126 Y HA -0.201 4.349 4.550 0.001 0.000 0.290 126 Y C 2.065 177.974 175.900 0.014 0.000 1.137 126 Y CA 0.562 58.721 58.100 0.098 0.000 1.163 126 Y CB 0.088 38.571 38.460 0.040 0.000 0.988 126 Y HN 0.032 nan 8.280 nan 0.000 0.518 127 D N 0.443 120.947 120.400 0.173 0.000 2.149 127 D HA -0.207 4.433 4.640 0.001 0.000 0.194 127 D C 1.739 178.055 176.300 0.027 0.000 1.001 127 D CA 1.478 55.517 54.000 0.064 0.000 0.849 127 D CB -0.254 40.570 40.800 0.040 0.000 0.939 127 D HN 0.298 nan 8.370 nan 0.000 0.449 128 K N -0.105 120.314 120.400 0.032 0.000 2.360 128 K HA -0.073 4.248 4.320 0.001 0.000 0.201 128 K C 1.704 178.305 176.600 0.003 0.000 1.046 128 K CA 0.424 56.712 56.287 0.002 0.000 0.945 128 K CB 0.232 32.727 32.500 -0.008 0.000 0.750 128 K HN 0.218 nan 8.250 nan 0.000 0.464 129 I N 1.281 121.877 120.570 0.043 0.000 2.867 129 I HA -0.076 4.095 4.170 0.001 0.000 0.265 129 I C 1.061 177.169 176.117 -0.015 0.000 1.162 129 I CA 0.618 61.942 61.300 0.040 0.000 1.471 129 I CB -0.816 37.267 38.000 0.139 0.000 1.123 129 I HN 0.124 nan 8.210 nan 0.000 0.440 130 K N 1.576 121.957 120.400 -0.031 0.000 2.140 130 K HA 0.486 4.807 4.320 0.001 0.000 0.237 130 K C 0.786 177.319 176.600 -0.111 0.000 1.045 130 K CA 0.197 56.434 56.287 -0.082 0.000 0.896 130 K CB 0.309 32.754 32.500 -0.091 0.000 1.122 130 K HN 0.177 nan 8.250 nan 0.000 0.503 131 G N -0.179 108.539 108.800 -0.138 0.000 2.645 131 G HA2 -0.269 3.692 3.960 0.001 0.000 0.239 131 G HA3 -0.269 3.692 3.960 0.001 0.000 0.239 131 G C -0.689 174.110 174.900 -0.168 0.000 1.331 131 G CA -0.105 44.880 45.100 -0.191 0.000 0.890 131 G HN 0.658 nan 8.290 nan 0.000 0.572 132 S N 0.558 116.131 115.700 -0.213 0.000 2.485 132 S HA 0.579 5.050 4.470 0.001 0.000 0.312 132 S C 1.143 175.684 174.600 -0.097 0.000 1.102 132 S CA 0.766 58.883 58.200 -0.138 0.000 1.066 132 S CB 0.222 63.331 63.200 -0.152 0.000 1.102 132 S HN 1.827 nan 8.310 nan 0.000 0.519 133 A N 4.524 127.304 122.820 -0.067 0.000 2.035 133 A HA 0.230 4.551 4.320 0.001 0.000 0.208 133 A C 1.684 179.255 177.584 -0.022 0.000 1.206 133 A CA 0.280 52.291 52.037 -0.043 0.000 0.773 133 A CB -0.203 18.770 19.000 -0.044 0.000 0.878 133 A HN 0.607 nan 8.150 nan 0.000 0.469 134 V N 0.985 120.886 119.914 -0.022 0.000 2.249 134 V HA -0.191 3.930 4.120 0.001 0.000 0.239 134 V C 2.238 178.329 176.094 -0.005 0.000 1.038 134 V CA 1.871 64.161 62.300 -0.016 0.000 1.005 134 V CB -0.966 30.843 31.823 -0.022 0.000 0.646 134 V HN 0.500 nan 8.190 nan 0.000 0.455 135 N N 0.447 119.151 118.700 0.006 0.000 2.037 135 N HA -0.181 4.560 4.740 0.001 0.000 0.196 135 N C -0.268 175.263 175.510 0.035 0.000 1.034 135 N CA 2.332 55.396 53.050 0.023 0.000 0.861 135 N CB -1.893 36.627 38.487 0.056 0.000 1.039 135 N HN 0.365 nan 8.380 nan 0.000 0.427 136 P HA -0.098 nan 4.420 nan 0.000 0.217 136 P C 1.733 179.048 177.300 0.025 0.000 1.148 136 P CA 0.785 63.931 63.100 0.075 0.000 0.828 136 P CB 0.092 31.851 31.700 0.098 0.000 0.783 137 V N -0.516 119.406 119.914 0.012 0.000 2.221 137 V HA -0.223 3.897 4.120 0.001 0.000 0.240 137 V C 2.463 178.549 176.094 -0.013 0.000 1.041 137 V CA 1.620 63.919 62.300 -0.001 0.000 0.991 137 V CB -1.456 30.364 31.823 -0.005 0.000 0.634 137 V HN 0.018 nan 8.190 nan 0.000 0.450 138 L N -0.236 120.976 121.223 -0.018 0.000 2.064 138 L HA -0.226 4.114 4.340 0.001 0.000 0.216 138 L C 1.622 178.464 176.870 -0.047 0.000 1.077 138 L CA 1.426 56.248 54.840 -0.031 0.000 0.766 138 L CB -0.542 41.496 42.059 -0.035 0.000 0.890 138 L HN 0.295 nan 8.230 nan 0.000 0.435 139 R N 1.453 121.924 120.500 -0.047 0.000 3.641 139 R HA -0.001 4.340 4.340 0.001 0.000 0.189 139 R C -0.177 176.080 176.300 -0.071 0.000 1.706 139 R CA -0.037 56.020 56.100 -0.072 0.000 1.311 139 R CB -0.224 30.028 30.300 -0.081 0.000 1.330 139 R HN 0.115 nan 8.270 nan 0.000 0.727 140 E N 1.690 121.850 120.200 -0.067 0.000 2.427 140 E HA 0.250 4.600 4.350 0.001 0.000 0.259 140 E C 0.271 176.832 176.600 -0.065 0.000 1.267 140 E CA -0.163 56.203 56.400 -0.056 0.000 1.425 140 E CB 1.132 30.809 29.700 -0.039 0.000 1.482 140 E HN 0.719 nan 8.360 nan 0.000 0.460 141 G N 0.731 109.483 108.800 -0.081 0.000 2.349 141 G HA2 0.134 4.095 3.960 0.001 0.000 0.294 141 G HA3 0.134 4.095 3.960 0.001 0.000 0.294 141 G C -1.122 173.722 174.900 -0.093 0.000 1.380 141 G CA -0.892 44.161 45.100 -0.079 0.000 0.811 141 G HN 0.062 nan 8.290 nan 0.000 0.519 142 N N 0.102 118.759 118.700 -0.071 0.000 2.456 142 N HA 0.563 5.303 4.740 0.001 0.000 0.296 142 N C 0.105 175.569 175.510 -0.076 0.000 1.102 142 N CA -0.312 52.697 53.050 -0.068 0.000 0.924 142 N CB 1.880 40.380 38.487 0.023 0.000 1.186 142 N HN 0.600 nan 8.380 nan 0.000 0.492 143 S N 0.256 115.898 115.700 -0.097 0.000 2.576 143 S HA 0.105 4.575 4.470 0.001 0.000 0.276 143 S C -0.490 174.068 174.600 -0.071 0.000 1.339 143 S CA -0.194 57.945 58.200 -0.101 0.000 1.039 143 S CB 0.345 63.466 63.200 -0.132 0.000 0.902 143 S HN 0.578 nan 8.310 nan 0.000 0.516 144 D N 2.242 122.596 120.400 -0.078 0.000 2.328 144 D HA 0.296 4.937 4.640 0.001 0.000 0.243 144 D C -0.765 175.499 176.300 -0.059 0.000 1.324 144 D CA -0.335 53.626 54.000 -0.065 0.000 0.966 144 D CB 0.529 41.294 40.800 -0.058 0.000 1.324 144 D HN 0.538 nan 8.370 nan 0.000 0.549 145 R N 2.406 122.869 120.500 -0.062 0.000 2.532 145 R HA 0.803 5.144 4.340 0.001 0.000 0.295 145 R C -0.263 176.012 176.300 -0.043 0.000 0.968 145 R CA -0.931 55.139 56.100 -0.050 0.000 0.916 145 R CB 1.859 32.126 30.300 -0.055 0.000 1.124 145 R HN 0.459 nan 8.270 nan 0.000 0.463 146 R N 0.413 120.895 120.500 -0.030 0.000 2.808 146 R HA 0.313 4.653 4.340 0.001 0.000 0.254 146 R C -1.716 174.574 176.300 -0.017 0.000 1.145 146 R CA -0.802 55.282 56.100 -0.026 0.000 1.066 146 R CB 0.882 31.165 30.300 -0.027 0.000 1.268 146 R HN 0.632 nan 8.270 nan 0.000 0.447 147 A N 4.332 127.144 122.820 -0.015 0.000 2.451 147 A HA 0.414 4.734 4.320 0.001 0.000 0.266 147 A C -2.023 175.560 177.584 -0.001 0.000 1.119 147 A CA -1.202 50.831 52.037 -0.007 0.000 0.786 147 A CB -0.227 18.773 19.000 -0.000 0.000 1.061 147 A HN 0.503 nan 8.150 nan 0.000 0.503 148 P HA 0.062 nan 4.420 nan 0.000 0.267 148 P C 1.180 178.489 177.300 0.015 0.000 1.205 148 P CA -0.406 62.698 63.100 0.006 0.000 0.765 148 P CB 0.598 32.300 31.700 0.004 0.000 0.828 149 L N 4.258 125.490 121.223 0.014 0.000 2.017 149 L HA -0.413 3.927 4.340 0.001 0.000 0.234 149 L C 2.313 179.205 176.870 0.038 0.000 1.097 149 L CA 3.024 57.877 54.840 0.021 0.000 0.816 149 L CB -1.538 40.531 42.059 0.016 0.000 0.914 149 L HN 0.551 nan 8.230 nan 0.000 0.444 150 S N -1.709 114.012 115.700 0.035 0.000 2.406 150 S HA -0.326 4.145 4.470 0.001 0.000 0.242 150 S C 1.868 176.522 174.600 0.090 0.000 1.079 150 S CA 2.328 60.559 58.200 0.051 0.000 1.133 150 S CB -1.712 61.503 63.200 0.024 0.000 1.005 150 S HN 0.343 nan 8.310 nan 0.000 0.443 151 V N 2.536 122.490 119.914 0.066 0.000 2.343 151 V HA -0.158 3.963 4.120 0.001 0.000 0.247 151 V C 2.780 178.964 176.094 0.150 0.000 1.051 151 V CA 2.271 64.629 62.300 0.096 0.000 1.036 151 V CB -0.967 30.876 31.823 0.034 0.000 0.654 151 V HN 0.495 nan 8.190 nan 0.000 0.451 152 K N 0.989 121.445 120.400 0.093 0.000 2.057 152 K HA -0.150 4.171 4.320 0.001 0.000 0.207 152 K C 1.914 178.574 176.600 0.100 0.000 1.049 152 K CA 1.578 57.916 56.287 0.085 0.000 0.931 152 K CB -0.518 32.010 32.500 0.046 0.000 0.714 152 K HN 0.404 nan 8.250 nan 0.000 0.440 153 N N -0.578 118.182 118.700 0.101 0.000 2.244 153 N HA -0.158 4.583 4.740 0.001 0.000 0.183 153 N C 1.590 177.185 175.510 0.142 0.000 1.016 153 N CA 1.055 54.163 53.050 0.097 0.000 0.866 153 N CB -0.219 38.317 38.487 0.081 0.000 0.980 153 N HN 0.311 nan 8.380 nan 0.000 0.430 154 Y N 1.646 121.990 120.300 0.074 0.000 2.163 154 Y HA -0.074 4.476 4.550 0.001 0.000 0.288 154 Y C 2.302 178.301 175.900 0.165 0.000 1.136 154 Y CA 1.672 59.839 58.100 0.111 0.000 1.147 154 Y CB -0.548 37.934 38.460 0.037 0.000 0.987 154 Y HN 0.034 nan 8.280 nan 0.000 0.509 155 A N 0.799 123.695 122.820 0.127 0.000 1.908 155 A HA -0.206 4.114 4.320 0.001 0.000 0.218 155 A C 2.360 179.956 177.584 0.020 0.000 1.181 155 A CA 1.836 53.926 52.037 0.088 0.000 0.627 155 A CB -0.728 18.390 19.000 0.196 0.000 0.818 155 A HN 0.542 nan 8.150 nan 0.000 0.445 156 R N -0.930 119.585 120.500 0.025 0.000 2.120 156 R HA -0.062 4.278 4.340 0.001 0.000 0.234 156 R C 1.197 177.461 176.300 -0.060 0.000 1.123 156 R CA 1.230 57.327 56.100 -0.005 0.000 0.975 156 R CB -0.003 30.304 30.300 0.011 0.000 0.866 156 R HN 0.245 nan 8.270 nan 0.000 0.446 157 K N -0.725 119.622 120.400 -0.088 0.000 2.353 157 K HA 0.069 4.390 4.320 0.001 0.000 0.195 157 K C -0.135 176.200 176.600 -0.441 0.000 1.031 157 K CA 0.552 56.720 56.287 -0.199 0.000 1.079 157 K CB 0.607 33.021 32.500 -0.143 0.000 0.857 157 K HN 0.238 nan 8.250 nan 0.000 0.535 158 H N 0.081 118.968 119.070 -0.305 0.000 2.535 158 H HA 0.256 4.812 4.556 0.001 0.000 0.232 158 H C -2.591 172.613 175.328 -0.207 0.000 1.405 158 H CA -1.795 54.057 56.048 -0.327 0.000 1.224 158 H CB 0.417 29.791 29.762 -0.647 0.000 1.763 158 H HN -0.106 nan 8.280 nan 0.000 0.529 159 P HA -0.080 nan 4.420 nan 0.000 0.262 159 P C -0.019 177.240 177.300 -0.068 0.000 1.182 159 P CA 0.379 63.411 63.100 -0.113 0.000 0.761 159 P CB 0.427 32.035 31.700 -0.154 0.000 0.795 160 H N 2.384 121.476 119.070 0.037 0.000 2.562 160 H HA 0.214 4.771 4.556 0.001 0.000 0.352 160 H C 0.374 175.737 175.328 0.058 0.000 1.125 160 H CA -0.945 55.137 56.048 0.056 0.000 1.379 160 H CB 0.427 30.230 29.762 0.068 0.000 1.464 160 H HN 0.395 nan 8.280 nan 0.000 0.563 161 K N 2.180 122.633 120.400 0.089 0.000 2.440 161 K HA 0.153 4.474 4.320 0.001 0.000 0.270 161 K C -0.394 176.248 176.600 0.069 0.000 0.980 161 K CA 0.007 56.321 56.287 0.045 0.000 0.953 161 K CB 0.430 32.968 32.500 0.063 0.000 0.925 161 K HN 0.418 nan 8.250 nan 0.000 0.497 162 M N 2.164 121.793 119.600 0.049 0.000 2.267 162 M HA 0.239 4.719 4.480 0.001 0.000 0.289 162 M C -0.170 176.181 176.300 0.084 0.000 1.043 162 M CA -0.537 54.825 55.300 0.104 0.000 0.928 162 M CB 1.682 34.349 32.600 0.111 0.000 1.613 162 M HN 0.973 nan 8.290 nan 0.000 0.450 163 G N 2.303 111.145 108.800 0.070 0.000 2.305 163 G HA2 0.379 4.340 3.960 0.001 0.000 0.243 163 G HA3 0.379 4.340 3.960 0.001 0.000 0.243 163 G C 0.248 175.131 174.900 -0.028 0.000 1.288 163 G CA -0.265 44.811 45.100 -0.039 0.000 0.901 163 G HN 0.910 nan 8.290 nan 0.000 0.516 164 A N 2.348 125.131 122.820 -0.062 0.000 2.462 164 A HA 0.446 4.766 4.320 0.001 0.000 0.243 164 A C -0.555 176.981 177.584 -0.079 0.000 1.076 164 A CA -0.103 51.928 52.037 -0.010 0.000 0.773 164 A CB 0.285 19.269 19.000 -0.026 0.000 1.010 164 A HN 0.683 nan 8.150 nan 0.000 0.493 165 W N 1.500 122.780 121.300 -0.034 0.000 2.478 165 W HA 0.511 5.172 4.660 0.001 0.000 0.318 165 W C 0.547 177.044 176.519 -0.038 0.000 1.062 165 W CA 0.085 57.407 57.345 -0.038 0.000 1.210 165 W CB 1.934 31.362 29.460 -0.053 0.000 1.325 165 W HN 0.652 nan 8.180 nan 0.000 0.496 166 S N 2.402 118.194 115.700 0.154 0.000 2.462 166 S HA 0.522 4.993 4.470 0.001 0.000 0.294 166 S C 0.891 175.581 174.600 0.150 0.000 1.144 166 S CA -0.129 58.131 58.200 0.099 0.000 1.088 166 S CB 1.242 64.448 63.200 0.010 0.000 1.009 166 S HN 0.601 nan 8.310 nan 0.000 0.484 167 A N 3.418 126.294 122.820 0.093 0.000 2.121 167 A HA 0.006 4.327 4.320 0.001 0.000 0.218 167 A C 0.917 178.534 177.584 0.056 0.000 1.154 167 A CA 1.359 53.436 52.037 0.067 0.000 0.679 167 A CB -0.460 18.549 19.000 0.016 0.000 0.795 167 A HN 0.894 nan 8.150 nan 0.000 0.458 168 D N -0.994 119.434 120.400 0.047 0.000 2.895 168 D HA 0.266 4.906 4.640 0.001 0.000 0.258 168 D C 0.127 176.450 176.300 0.038 0.000 1.311 168 D CA -0.097 53.922 54.000 0.032 0.000 0.843 168 D CB -0.395 40.413 40.800 0.014 0.000 1.055 168 D HN 0.021 nan 8.370 nan 0.000 0.486 169 S N 0.077 115.821 115.700 0.073 0.000 2.580 169 S HA 0.153 4.623 4.470 0.001 0.000 0.274 169 S C 1.228 175.874 174.600 0.076 0.000 1.329 169 S CA -0.561 57.682 58.200 0.072 0.000 1.036 169 S CB 0.843 64.123 63.200 0.133 0.000 0.919 169 S HN 0.108 nan 8.310 nan 0.000 0.515 170 K N 1.967 122.406 120.400 0.064 0.000 2.262 170 K HA 0.138 4.458 4.320 0.001 0.000 0.200 170 K C 0.761 177.471 176.600 0.183 0.000 1.049 170 K CA 0.210 56.541 56.287 0.074 0.000 0.979 170 K CB -0.620 31.915 32.500 0.059 0.000 0.773 170 K HN 0.533 nan 8.250 nan 0.000 0.474 171 S N 2.229 118.047 115.700 0.198 0.000 2.550 171 S HA -0.013 4.458 4.470 0.001 0.000 0.285 171 S C 0.247 175.093 174.600 0.411 0.000 1.326 171 S CA 0.305 58.669 58.200 0.272 0.000 1.037 171 S CB -0.000 63.304 63.200 0.173 0.000 0.838 171 S HN 0.464 nan 8.310 nan 0.000 0.519 172 H N -2.297 116.842 119.070 0.115 0.000 2.894 172 H HA 0.421 4.978 4.556 0.001 0.000 0.282 172 H C -1.984 173.416 175.328 0.121 0.000 1.448 172 H CA -0.917 55.202 56.048 0.117 0.000 1.158 172 H CB -0.139 29.686 29.762 0.106 0.000 1.818 172 H HN 0.371 nan 8.280 nan 0.000 0.493 173 V N 0.568 120.523 119.914 0.068 0.000 2.483 173 V HA 0.720 4.840 4.120 0.001 0.000 0.295 173 V C 0.382 176.560 176.094 0.140 0.000 1.035 173 V CA -0.206 62.112 62.300 0.030 0.000 0.896 173 V CB 1.113 32.972 31.823 0.060 0.000 0.986 173 V HN 1.006 nan 8.190 nan 0.000 0.447 174 A N 4.561 127.486 122.820 0.176 0.000 2.303 174 A HA 0.854 5.174 4.320 0.001 0.000 0.320 174 A C -0.568 177.394 177.584 0.630 0.000 1.192 174 A CA -0.467 51.801 52.037 0.384 0.000 0.821 174 A CB 0.467 19.597 19.000 0.216 0.000 1.188 174 A HN 1.070 nan 8.150 nan 0.000 0.492 175 H N 0.771 120.080 119.070 0.397 0.000 2.895 175 H HA 0.637 5.193 4.556 0.001 0.000 0.373 175 H C -0.700 174.696 175.328 0.113 0.000 1.174 175 H CA -1.534 54.627 56.048 0.189 0.000 1.144 175 H CB 0.361 30.159 29.762 0.061 0.000 1.793 175 H HN 0.560 nan 8.280 nan 0.000 0.551 176 M N 1.214 120.492 119.600 -0.537 0.000 2.250 176 M HA 0.023 4.503 4.480 0.001 0.000 0.325 176 M C 0.433 176.597 176.300 -0.227 0.000 1.084 176 M CA 0.410 55.446 55.300 -0.441 0.000 1.161 176 M CB 0.428 32.706 32.600 -0.536 0.000 1.481 176 M HN 0.590 nan 8.290 nan 0.000 0.449 177 D N 0.136 120.476 120.400 -0.100 0.000 2.380 177 D HA 0.087 4.727 4.640 0.001 0.000 0.212 177 D C -0.137 176.146 176.300 -0.028 0.000 1.021 177 D CA 0.642 54.586 54.000 -0.093 0.000 0.884 177 D CB 0.412 41.183 40.800 -0.048 0.000 1.001 177 D HN 0.680 nan 8.370 nan 0.000 0.506 178 N N -1.191 117.502 118.700 -0.012 0.000 2.405 178 N HA 0.270 5.011 4.740 0.001 0.000 0.285 178 N C 0.323 175.828 175.510 -0.008 0.000 1.262 178 N CA -0.362 52.694 53.050 0.009 0.000 0.773 178 N CB 1.818 40.317 38.487 0.019 0.000 1.490 178 N HN -0.082 nan 8.380 nan 0.000 0.486 179 G N 1.141 109.940 108.800 -0.001 0.000 2.290 179 G HA2 -0.180 3.781 3.960 0.001 0.000 0.270 179 G HA3 -0.180 3.781 3.960 0.001 0.000 0.270 179 G C -0.800 174.053 174.900 -0.078 0.000 0.891 179 G CA 0.972 46.055 45.100 -0.028 0.000 1.321 179 G HN 1.158 nan 8.290 nan 0.000 0.425 180 D N -0.529 119.827 120.400 -0.073 0.000 2.744 180 D HA 0.489 5.130 4.640 0.001 0.000 0.304 180 D C 0.991 177.212 176.300 -0.131 0.000 1.179 180 D CA -1.229 52.684 54.000 -0.145 0.000 1.024 180 D CB 0.117 40.884 40.800 -0.055 0.000 1.453 180 D HN 0.014 nan 8.370 nan 0.000 0.529 181 F N -0.527 119.435 119.950 0.019 0.000 2.026 181 F HA -0.151 4.376 4.527 0.001 0.000 0.296 181 F C 2.499 178.304 175.800 0.008 0.000 1.133 181 F CA 1.557 59.551 58.000 -0.009 0.000 1.188 181 F CB -0.705 38.281 39.000 -0.023 0.000 0.968 181 F HN 0.456 nan 8.300 nan 0.000 0.476 182 Y N 1.057 121.434 120.300 0.128 0.000 1.977 182 Y HA -0.311 4.239 4.550 0.001 0.000 0.264 182 Y C 2.514 178.430 175.900 0.026 0.000 1.167 182 Y CA 1.848 59.969 58.100 0.035 0.000 1.102 182 Y CB -1.131 37.331 38.460 0.004 0.000 0.948 182 Y HN 0.038 nan 8.280 nan 0.000 0.489 183 G N -1.778 107.186 108.800 0.274 0.000 2.498 183 G HA2 -0.251 3.709 3.960 0.001 0.000 0.219 183 G HA3 -0.251 3.709 3.960 0.001 0.000 0.219 183 G C 1.685 176.588 174.900 0.005 0.000 1.119 183 G CA 1.046 46.224 45.100 0.130 0.000 0.766 183 G HN 0.487 nan 8.290 nan 0.000 0.552 184 S N -0.669 115.027 115.700 -0.007 0.000 2.517 184 S HA 0.146 4.617 4.470 0.001 0.000 0.214 184 S C 0.932 175.519 174.600 -0.022 0.000 0.991 184 S CA -0.124 58.066 58.200 -0.016 0.000 0.906 184 S CB -0.079 63.103 63.200 -0.031 0.000 0.789 184 S HN 0.497 nan 8.310 nan 0.000 0.513 185 E N 1.456 121.625 120.200 -0.052 0.000 2.598 185 E HA -0.026 4.324 4.350 0.001 0.000 0.273 185 E C -0.723 175.861 176.600 -0.026 0.000 1.029 185 E CA 0.963 57.331 56.400 -0.053 0.000 0.985 185 E CB 0.306 29.947 29.700 -0.100 0.000 0.988 185 E HN 0.270 nan 8.360 nan 0.000 0.460 186 K N 1.182 121.579 120.400 -0.004 0.000 2.635 186 K HA 0.428 4.748 4.320 0.001 0.000 0.266 186 K C -1.551 175.070 176.600 0.034 0.000 1.033 186 K CA -0.430 55.869 56.287 0.020 0.000 0.919 186 K CB 1.680 34.207 32.500 0.044 0.000 1.289 186 K HN 0.469 nan 8.250 nan 0.000 0.463 187 A N 1.748 124.590 122.820 0.037 0.000 2.299 187 A HA 0.981 5.301 4.320 0.001 0.000 0.332 187 A C -1.093 176.516 177.584 0.041 0.000 1.131 187 A CA -0.528 51.539 52.037 0.050 0.000 0.844 187 A CB 1.489 20.521 19.000 0.053 0.000 1.251 187 A HN 0.682 nan 8.150 nan 0.000 0.486 188 A N -0.056 122.790 122.820 0.043 0.000 2.547 188 A HA 0.588 4.908 4.320 0.001 0.000 0.297 188 A C -1.581 176.021 177.584 0.031 0.000 1.056 188 A CA -0.422 51.637 52.037 0.036 0.000 0.688 188 A CB 1.200 20.228 19.000 0.047 0.000 1.282 188 A HN 1.664 nan 8.150 nan 0.000 0.400 189 L N 3.824 125.060 121.223 0.022 0.000 2.259 189 L HA 0.476 4.816 4.340 0.001 0.000 0.288 189 L C -0.471 176.414 176.870 0.025 0.000 1.051 189 L CA -0.612 54.240 54.840 0.020 0.000 0.824 189 L CB 0.227 42.293 42.059 0.012 0.000 1.206 189 L HN 0.563 nan 8.230 nan 0.000 0.429 190 I N 4.982 125.570 120.570 0.030 0.000 2.752 190 I HA 0.049 4.220 4.170 0.001 0.000 0.289 190 I C 1.419 177.552 176.117 0.026 0.000 1.197 190 I CA 0.715 62.034 61.300 0.031 0.000 1.432 190 I CB 0.383 38.403 38.000 0.034 0.000 1.359 190 I HN 0.781 nan 8.210 nan 0.000 0.571 191 G N 5.540 114.353 108.800 0.023 0.000 2.570 191 G HA2 0.318 4.278 3.960 0.001 0.000 0.209 191 G HA3 0.318 4.278 3.960 0.001 0.000 0.209 191 G C 0.413 175.325 174.900 0.020 0.000 1.168 191 G CA 0.588 45.699 45.100 0.020 0.000 0.831 191 G HN 0.701 nan 8.290 nan 0.000 0.564 192 A N 0.214 123.046 122.820 0.019 0.000 2.340 192 A HA 0.742 5.062 4.320 0.001 0.000 0.331 192 A C -2.777 174.819 177.584 0.020 0.000 1.140 192 A CA -1.376 50.672 52.037 0.018 0.000 0.801 192 A CB 1.141 20.150 19.000 0.015 0.000 1.234 192 A HN 0.101 nan 8.150 nan 0.000 0.469 193 P HA 0.348 nan 4.420 nan 0.000 0.264 193 P C 0.546 177.858 177.300 0.019 0.000 1.229 193 P CA 0.969 64.081 63.100 0.020 0.000 0.780 193 P CB 0.826 32.537 31.700 0.018 0.000 0.808 194 G N 1.472 110.285 108.800 0.021 0.000 3.046 194 G HA2 0.605 4.565 3.960 0.001 0.000 0.137 194 G HA3 0.605 4.565 3.960 0.001 0.000 0.137 194 G C -1.082 173.832 174.900 0.024 0.000 1.207 194 G CA -0.039 45.073 45.100 0.021 0.000 1.218 194 G HN 0.573 nan 8.290 nan 0.000 0.625 195 S N -1.429 114.286 115.700 0.025 0.000 2.565 195 S HA 0.727 5.197 4.470 0.001 0.000 0.269 195 S C -1.027 173.592 174.600 0.032 0.000 1.153 195 S CA -0.001 58.217 58.200 0.030 0.000 0.835 195 S CB 1.348 64.564 63.200 0.026 0.000 1.122 195 S HN 2.017 nan 8.310 nan 0.000 0.462 196 V N -0.952 118.986 119.914 0.041 0.000 2.914 196 V HA 0.808 4.928 4.120 0.001 0.000 0.314 196 V C -0.681 175.436 176.094 0.039 0.000 1.084 196 V CA -0.883 61.443 62.300 0.043 0.000 0.963 196 V CB 1.768 33.629 31.823 0.063 0.000 1.025 196 V HN 1.190 nan 8.190 nan 0.000 0.432 197 K N 2.941 123.353 120.400 0.020 0.000 2.244 197 K HA 0.637 4.958 4.320 0.001 0.000 0.260 197 K C -1.388 175.195 176.600 -0.029 0.000 0.951 197 K CA -0.794 55.490 56.287 -0.006 0.000 0.826 197 K CB 1.784 34.270 32.500 -0.022 0.000 1.108 197 K HN 0.859 nan 8.250 nan 0.000 0.433 198 I N 3.982 124.510 120.570 -0.070 0.000 2.306 198 I HA 0.202 4.372 4.170 0.001 0.000 0.288 198 I C -0.157 175.774 176.117 -0.310 0.000 1.036 198 I CA -0.284 60.908 61.300 -0.179 0.000 1.221 198 I CB 1.187 39.085 38.000 -0.171 0.000 1.385 198 I HN 0.615 nan 8.210 nan 0.000 0.472 199 E N 6.056 126.085 120.200 -0.285 0.000 2.266 199 E HA 0.464 4.814 4.350 0.001 0.000 0.268 199 E C -1.660 174.764 176.600 -0.294 0.000 0.879 199 E CA -0.975 55.263 56.400 -0.270 0.000 0.762 199 E CB 2.602 32.203 29.700 -0.164 0.000 1.199 199 E HN 0.378 nan 8.360 nan 0.000 0.422 200 L N 4.740 125.798 121.223 -0.275 0.000 2.307 200 L HA 0.422 4.762 4.340 0.001 0.000 0.282 200 L C -1.285 175.496 176.870 -0.149 0.000 1.051 200 L CA -0.430 54.269 54.840 -0.236 0.000 0.804 200 L CB 1.181 43.104 42.059 -0.228 0.000 1.197 200 L HN 0.481 nan 8.230 nan 0.000 0.431 201 I N 5.697 126.195 120.570 -0.120 0.000 2.405 201 I HA 0.417 4.587 4.170 0.001 0.000 0.280 201 I C 0.442 176.521 176.117 -0.064 0.000 1.027 201 I CA -0.573 60.678 61.300 -0.081 0.000 1.161 201 I CB 0.553 38.514 38.000 -0.066 0.000 1.300 201 I HN 0.768 nan 8.210 nan 0.000 0.463 202 A N 6.381 129.167 122.820 -0.055 0.000 2.425 202 A HA 0.279 4.600 4.320 0.001 0.000 0.242 202 A C 1.426 178.993 177.584 -0.029 0.000 1.077 202 A CA -0.215 51.798 52.037 -0.040 0.000 0.781 202 A CB 0.554 19.533 19.000 -0.036 0.000 1.020 202 A HN 0.607 nan 8.150 nan 0.000 0.494 203 K N 0.900 121.287 120.400 -0.021 0.000 2.160 203 K HA -0.172 4.149 4.320 0.001 0.000 0.206 203 K C 0.770 177.362 176.600 -0.014 0.000 1.047 203 K CA 1.891 58.170 56.287 -0.015 0.000 0.930 203 K CB -0.426 32.068 32.500 -0.009 0.000 0.720 203 K HN 0.938 nan 8.250 nan 0.000 0.450 204 D N -0.772 119.619 120.400 -0.015 0.000 2.355 204 D HA 0.058 4.698 4.640 0.001 0.000 0.253 204 D C 1.078 177.369 176.300 -0.015 0.000 1.187 204 D CA 0.704 54.697 54.000 -0.013 0.000 0.900 204 D CB -0.235 40.558 40.800 -0.012 0.000 0.915 204 D HN 0.250 nan 8.370 nan 0.000 0.516 205 G N -0.008 108.781 108.800 -0.018 0.000 2.353 205 G HA2 -0.381 3.579 3.960 0.001 0.000 0.258 205 G HA3 -0.381 3.579 3.960 0.001 0.000 0.258 205 G C 0.699 175.584 174.900 -0.024 0.000 1.013 205 G CA 0.851 45.939 45.100 -0.019 0.000 0.622 205 G HN 0.912 nan 8.290 nan 0.000 0.535 206 S N -0.242 115.443 115.700 -0.025 0.000 2.617 206 S HA 0.668 5.139 4.470 0.001 0.000 0.259 206 S C 0.213 174.789 174.600 -0.041 0.000 1.301 206 S CA 0.857 59.039 58.200 -0.029 0.000 0.984 206 S CB 1.755 64.940 63.200 -0.026 0.000 0.954 206 S HN 2.066 nan 8.310 nan 0.000 0.572 207 S N -0.052 115.620 115.700 -0.046 0.000 2.575 207 S HA 0.600 5.070 4.470 0.001 0.000 0.278 207 S C -0.930 173.628 174.600 -0.070 0.000 1.139 207 S CA -0.689 57.473 58.200 -0.064 0.000 0.954 207 S CB 1.466 64.627 63.200 -0.064 0.000 1.054 207 S HN 0.767 nan 8.310 nan 0.000 0.483 208 T N 3.131 117.629 114.554 -0.093 0.000 2.797 208 T HA 0.528 4.878 4.350 0.001 0.000 0.279 208 T C -0.388 174.225 174.700 -0.145 0.000 0.991 208 T CA -0.458 61.582 62.100 -0.100 0.000 0.979 208 T CB 1.367 70.180 68.868 -0.093 0.000 0.943 208 T HN 0.648 nan 8.240 nan 0.000 0.444 209 V N 5.163 124.999 119.914 -0.130 0.000 2.546 209 V HA 0.273 4.394 4.120 0.001 0.000 0.284 209 V C 0.872 176.833 176.094 -0.221 0.000 1.050 209 V CA -0.058 62.144 62.300 -0.162 0.000 0.981 209 V CB 1.148 32.910 31.823 -0.102 0.000 0.990 209 V HN 0.822 nan 8.190 nan 0.000 0.474 210 L N 3.045 124.042 121.223 -0.377 0.000 2.537 210 L HA 0.415 4.755 4.340 0.001 0.000 0.224 210 L C 0.753 177.388 176.870 -0.391 0.000 1.065 210 L CA 0.341 54.799 54.840 -0.636 0.000 0.860 210 L CB 0.242 41.430 42.059 -1.453 0.000 1.086 210 L HN 0.534 nan 8.230 nan 0.000 0.482 211 K N -0.424 119.834 120.400 -0.237 0.000 2.592 211 K HA 0.403 4.723 4.320 0.001 0.000 0.265 211 K C -0.091 176.492 176.600 -0.029 0.000 1.006 211 K CA 0.044 56.326 56.287 -0.009 0.000 0.907 211 K CB 1.830 34.424 32.500 0.157 0.000 1.309 211 K HN -0.079 nan 8.250 nan 0.000 0.452 212 A N 4.052 126.868 122.820 -0.007 0.000 1.878 212 A HA 0.024 4.344 4.320 0.001 0.000 0.213 212 A C 0.031 177.621 177.584 0.010 0.000 1.192 212 A CA 0.877 52.908 52.037 -0.011 0.000 0.619 212 A CB -0.088 18.906 19.000 -0.010 0.000 0.837 212 A HN 0.595 nan 8.150 nan 0.000 0.446 213 K N -0.203 120.214 120.400 0.028 0.000 2.358 213 K HA 0.616 4.937 4.320 0.001 0.000 0.260 213 K C -1.617 175.013 176.600 0.050 0.000 0.956 213 K CA -0.345 55.962 56.287 0.033 0.000 0.834 213 K CB 1.548 34.064 32.500 0.026 0.000 1.102 213 K HN -0.100 nan 8.250 nan 0.000 0.431 214 T N 1.619 116.205 114.554 0.054 0.000 3.089 214 T HA 0.134 4.484 4.350 0.001 0.000 0.340 214 T C -0.582 174.149 174.700 0.052 0.000 1.008 214 T CA -0.807 61.331 62.100 0.064 0.000 1.096 214 T CB 0.923 69.847 68.868 0.092 0.000 1.024 214 T HN 0.710 nan 8.240 nan 0.000 0.477 215 S N 2.135 117.860 115.700 0.042 0.000 2.549 215 S HA 0.443 4.914 4.470 0.001 0.000 0.286 215 S C 0.449 175.071 174.600 0.036 0.000 1.314 215 S CA -0.745 57.476 58.200 0.035 0.000 1.062 215 S CB 0.340 63.557 63.200 0.028 0.000 0.865 215 S HN 0.786 nan 8.310 nan 0.000 0.498 216 V N 0.723 120.657 119.914 0.034 0.000 2.638 216 V HA 0.570 4.690 4.120 0.001 0.000 0.306 216 V C -0.526 175.585 176.094 0.029 0.000 1.052 216 V CA -1.048 61.272 62.300 0.034 0.000 0.885 216 V CB 1.094 32.941 31.823 0.040 0.000 0.999 216 V HN 0.958 nan 8.190 nan 0.000 0.424 217 Q N 2.502 122.318 119.800 0.028 0.000 2.237 217 Q HA 0.765 5.106 4.340 0.001 0.000 0.219 217 Q C 0.381 176.398 176.000 0.029 0.000 0.999 217 Q CA -0.407 55.412 55.803 0.026 0.000 0.959 217 Q CB 1.504 30.256 28.738 0.024 0.000 1.173 217 Q HN 1.132 nan 8.270 nan 0.000 0.527 218 A N -0.004 122.834 122.820 0.029 0.000 2.386 218 A HA 0.448 4.768 4.320 0.001 0.000 0.248 218 A C 1.080 178.687 177.584 0.038 0.000 1.082 218 A CA 0.498 52.553 52.037 0.031 0.000 0.789 218 A CB -0.633 18.385 19.000 0.029 0.000 1.025 218 A HN 0.959 nan 8.150 nan 0.000 0.490 219 G N 0.180 109.005 108.800 0.041 0.000 2.196 219 G HA2 -0.286 3.674 3.960 0.001 0.000 0.268 219 G HA3 -0.286 3.674 3.960 0.001 0.000 0.268 219 G C 0.280 175.209 174.900 0.050 0.000 0.975 219 G CA 0.854 45.985 45.100 0.052 0.000 0.648 219 G HN 1.104 nan 8.290 nan 0.000 0.538 220 E N -0.123 120.101 120.200 0.040 0.000 2.383 220 E HA 0.477 4.827 4.350 0.001 0.000 0.264 220 E C 0.295 176.916 176.600 0.035 0.000 1.050 220 E CA -0.581 55.841 56.400 0.036 0.000 0.896 220 E CB 0.265 29.985 29.700 0.034 0.000 0.982 220 E HN 0.346 nan 8.360 nan 0.000 0.424 221 I N 6.358 126.948 120.570 0.034 0.000 2.330 221 I HA 0.281 4.451 4.170 0.001 0.000 0.289 221 I C -0.045 176.116 176.117 0.073 0.000 1.001 221 I CA -0.628 60.690 61.300 0.031 0.000 1.193 221 I CB 0.867 38.849 38.000 -0.030 0.000 1.345 221 I HN 0.446 nan 8.210 nan 0.000 0.461 222 I N 3.992 124.605 120.570 0.072 0.000 2.474 222 I HA 0.727 4.898 4.170 0.001 0.000 0.294 222 I C -1.449 174.719 176.117 0.086 0.000 1.005 222 I CA -0.398 60.949 61.300 0.079 0.000 1.113 222 I CB 2.023 40.064 38.000 0.068 0.000 1.289 222 I HN 0.554 nan 8.210 nan 0.000 0.436 223 D N 3.407 123.847 120.400 0.066 0.000 2.645 223 D HA 0.699 5.340 4.640 0.001 0.000 0.228 223 D C -1.075 175.183 176.300 -0.071 0.000 1.148 223 D CA -0.628 53.392 54.000 0.034 0.000 0.860 223 D CB 2.185 43.033 40.800 0.080 0.000 1.548 223 D HN 0.720 nan 8.370 nan 0.000 0.460 224 S N 0.031 115.679 115.700 -0.087 0.000 2.541 224 S HA 0.839 5.310 4.470 0.001 0.000 0.280 224 S C -0.718 173.753 174.600 -0.215 0.000 1.112 224 S CA -0.666 57.371 58.200 -0.273 0.000 0.925 224 S CB 1.349 64.463 63.200 -0.142 0.000 1.067 224 S HN 0.975 nan 8.310 nan 0.000 0.479 225 S N 0.713 116.222 115.700 -0.317 0.000 2.705 225 S HA 0.891 5.361 4.470 0.001 0.000 0.280 225 S C -1.123 173.407 174.600 -0.118 0.000 1.174 225 S CA -0.726 57.414 58.200 -0.099 0.000 0.823 225 S CB 1.302 64.549 63.200 0.078 0.000 1.162 225 S HN 1.999 nan 8.310 nan 0.000 0.487 226 V N 1.087 120.934 119.914 -0.111 0.000 2.752 226 V HA 0.676 4.796 4.120 0.001 0.000 0.302 226 V C -1.544 174.223 176.094 -0.545 0.000 1.133 226 V CA -0.629 61.542 62.300 -0.215 0.000 0.919 226 V CB 1.880 33.739 31.823 0.060 0.000 1.026 226 V HN 1.115 nan 8.190 nan 0.000 0.429 227 M N 5.890 124.934 119.600 -0.927 0.000 2.162 227 M HA 0.519 4.999 4.480 0.001 0.000 0.356 227 M C 0.045 176.172 176.300 -0.289 0.000 1.303 227 M CA 0.787 55.615 55.300 -0.786 0.000 1.116 227 M CB 1.052 33.163 32.600 -0.815 0.000 1.632 227 M HN 0.792 nan 8.290 nan 0.000 0.469 228 S N 4.202 119.792 115.700 -0.183 0.000 2.465 228 S HA 0.211 4.681 4.470 0.001 0.000 0.279 228 S C 1.077 175.658 174.600 -0.031 0.000 1.201 228 S CA -0.489 57.668 58.200 -0.071 0.000 1.053 228 S CB 0.332 63.505 63.200 -0.045 0.000 0.953 228 S HN 0.929 nan 8.310 nan 0.000 0.488 229 K N 4.511 124.912 120.400 0.002 0.000 2.020 229 K HA -0.218 4.102 4.320 0.001 0.000 0.212 229 K C 1.509 178.132 176.600 0.039 0.000 1.050 229 K CA 2.474 58.778 56.287 0.029 0.000 0.929 229 K CB -0.333 32.192 32.500 0.041 0.000 0.714 229 K HN 0.831 nan 8.250 nan 0.000 0.443 230 N N 0.328 119.049 118.700 0.035 0.000 2.381 230 N HA -0.100 4.641 4.740 0.001 0.000 0.182 230 N C 1.503 177.042 175.510 0.049 0.000 1.025 230 N CA 1.229 54.304 53.050 0.042 0.000 0.888 230 N CB -0.335 38.172 38.487 0.034 0.000 0.965 230 N HN 0.256 nan 8.380 nan 0.000 0.438 231 A N 0.420 123.262 122.820 0.037 0.000 1.930 231 A HA 0.110 4.430 4.320 0.001 0.000 0.215 231 A C 2.081 179.715 177.584 0.084 0.000 1.176 231 A CA 0.758 52.822 52.037 0.045 0.000 0.632 231 A CB -0.657 18.348 19.000 0.009 0.000 0.819 231 A HN 0.275 nan 8.150 nan 0.000 0.445 232 L N -0.051 121.211 121.223 0.065 0.000 2.056 232 L HA -0.027 4.313 4.340 0.001 0.000 0.207 232 L C 2.385 179.372 176.870 0.194 0.000 1.078 232 L CA 2.236 57.143 54.840 0.112 0.000 0.749 232 L CB -0.640 41.457 42.059 0.063 0.000 0.901 232 L HN 0.464 nan 8.230 nan 0.000 0.433 233 R N -0.329 120.247 120.500 0.128 0.000 2.083 233 R HA -0.194 4.146 4.340 0.001 0.000 0.237 233 R C 2.123 178.491 176.300 0.114 0.000 1.137 233 R CA 2.245 58.412 56.100 0.112 0.000 0.951 233 R CB -0.446 29.900 30.300 0.077 0.000 0.851 233 R HN 0.556 nan 8.270 nan 0.000 0.434 234 N N -0.873 117.894 118.700 0.112 0.000 2.381 234 N HA -0.158 4.582 4.740 0.001 0.000 0.182 234 N C 1.412 176.998 175.510 0.128 0.000 1.025 234 N CA 0.861 53.968 53.050 0.095 0.000 0.888 234 N CB -0.051 38.485 38.487 0.082 0.000 0.965 234 N HN 0.196 nan 8.380 nan 0.000 0.438 235 F N 1.645 121.612 119.950 0.027 0.000 2.094 235 F HA 0.051 4.579 4.527 0.001 0.000 0.291 235 F C 1.930 177.756 175.800 0.043 0.000 1.109 235 F CA 0.961 58.980 58.000 0.032 0.000 1.221 235 F CB -0.244 38.778 39.000 0.036 0.000 1.014 235 F HN -0.135 nan 8.300 nan 0.000 0.473 236 I N 1.012 121.663 120.570 0.135 0.000 2.335 236 I HA -0.307 3.863 4.170 0.001 0.000 0.251 236 I C 2.661 178.742 176.117 -0.061 0.000 1.129 236 I CA 1.162 62.464 61.300 0.004 0.000 1.402 236 I CB -1.074 37.029 38.000 0.172 0.000 1.069 236 I HN 0.319 nan 8.210 nan 0.000 0.424 237 A N 0.844 123.652 122.820 -0.020 0.000 1.902 237 A HA -0.108 4.213 4.320 0.001 0.000 0.217 237 A C 2.572 180.110 177.584 -0.076 0.000 1.181 237 A CA 1.837 53.856 52.037 -0.031 0.000 0.623 237 A CB -0.766 18.231 19.000 -0.005 0.000 0.818 237 A HN 0.424 nan 8.150 nan 0.000 0.443 238 A N -0.423 122.330 122.820 -0.112 0.000 1.872 238 A HA -0.087 4.233 4.320 0.001 0.000 0.214 238 A C 1.879 179.365 177.584 -0.162 0.000 1.187 238 A CA 1.568 53.532 52.037 -0.123 0.000 0.614 238 A CB -0.438 18.491 19.000 -0.117 0.000 0.826 238 A HN 0.396 nan 8.150 nan 0.000 0.442 239 E N 0.213 120.236 120.200 -0.295 0.000 2.209 239 E HA -0.155 4.196 4.350 0.001 0.000 0.196 239 E C 1.892 178.423 176.600 -0.116 0.000 0.993 239 E CA 0.938 57.182 56.400 -0.260 0.000 0.819 239 E CB -0.445 28.974 29.700 -0.468 0.000 0.745 239 E HN 0.753 nan 8.360 nan 0.000 0.477 240 I N 0.548 121.064 120.570 -0.089 0.000 2.141 240 I HA -0.246 3.925 4.170 0.001 0.000 0.236 240 I C 2.516 178.605 176.117 -0.048 0.000 1.071 240 I CA 1.011 62.292 61.300 -0.032 0.000 1.345 240 I CB -0.311 37.672 38.000 -0.028 0.000 1.066 240 I HN 0.028 nan 8.210 nan 0.000 0.406 241 E N 1.532 121.692 120.200 -0.066 0.000 2.068 241 E HA -0.353 3.997 4.350 0.001 0.000 0.207 241 E C 1.667 178.242 176.600 -0.042 0.000 1.032 241 E CA 2.447 58.811 56.400 -0.060 0.000 0.839 241 E CB -0.359 29.307 29.700 -0.058 0.000 0.758 241 E HN 0.453 nan 8.360 nan 0.000 0.457 242 D N -1.010 119.367 120.400 -0.039 0.000 2.144 242 D HA -0.104 4.537 4.640 0.001 0.000 0.199 242 D C 1.692 177.994 176.300 0.004 0.000 0.984 242 D CA 1.628 55.617 54.000 -0.018 0.000 0.834 242 D CB -0.352 40.439 40.800 -0.016 0.000 0.955 242 D HN 0.294 nan 8.370 nan 0.000 0.465 243 A N 0.004 122.829 122.820 0.008 0.000 2.125 243 A HA -0.141 4.180 4.320 0.001 0.000 0.219 243 A C 2.097 179.691 177.584 0.017 0.000 1.156 243 A CA 1.108 53.166 52.037 0.034 0.000 0.671 243 A CB -0.495 18.523 19.000 0.030 0.000 0.794 243 A HN 0.193 nan 8.150 nan 0.000 0.459 244 K N -0.372 120.025 120.400 -0.006 0.000 2.076 244 K HA -0.121 4.200 4.320 0.001 0.000 0.204 244 K C 2.122 178.714 176.600 -0.013 0.000 1.051 244 K CA 1.418 57.696 56.287 -0.016 0.000 0.949 244 K CB -0.079 32.400 32.500 -0.035 0.000 0.726 244 K HN 0.267 nan 8.250 nan 0.000 0.443 245 K N 1.098 121.490 120.400 -0.012 0.000 2.002 245 K HA -0.132 4.189 4.320 0.001 0.000 0.209 245 K C 2.052 178.649 176.600 -0.006 0.000 1.048 245 K CA 1.572 57.852 56.287 -0.012 0.000 0.930 245 K CB -0.155 32.337 32.500 -0.013 0.000 0.714 245 K HN 0.065 nan 8.250 nan 0.000 0.438 246 Q N -0.517 119.286 119.800 0.004 0.000 2.297 246 Q HA -0.068 4.273 4.340 0.001 0.000 0.208 246 Q C 0.864 176.871 176.000 0.013 0.000 0.981 246 Q CA 1.492 57.302 55.803 0.011 0.000 0.876 246 Q CB -0.335 28.428 28.738 0.042 0.000 0.921 246 Q HN 0.664 nan 8.270 nan 0.000 0.446 247 G N 0.574 109.377 108.800 0.006 0.000 2.198 247 G HA2 -0.243 3.718 3.960 0.001 0.000 0.257 247 G HA3 -0.243 3.718 3.960 0.001 0.000 0.257 247 G C 0.227 175.126 174.900 -0.002 0.000 1.042 247 G CA 0.425 45.522 45.100 -0.006 0.000 0.791 247 G HN 0.352 nan 8.290 nan 0.000 0.502 248 V N -2.732 117.193 119.914 0.018 0.000 3.019 248 V HA 0.869 4.989 4.120 0.001 0.000 0.317 248 V C 0.847 176.948 176.094 0.012 0.000 1.094 248 V CA -1.796 60.523 62.300 0.032 0.000 1.000 248 V CB 1.917 33.795 31.823 0.093 0.000 1.060 248 V HN 0.315 nan 8.190 nan 0.000 0.443 249 L N 2.199 123.428 121.223 0.010 0.000 2.397 249 L HA 0.389 4.730 4.340 0.001 0.000 0.271 249 L C -0.200 176.676 176.870 0.010 0.000 1.148 249 L CA -0.411 54.428 54.840 -0.001 0.000 0.825 249 L CB 1.182 43.247 42.059 0.009 0.000 1.117 249 L HN 0.586 nan 8.230 nan 0.000 0.456 250 L N 3.510 124.739 121.223 0.009 0.000 2.276 250 L HA 0.461 4.802 4.340 0.001 0.000 0.286 250 L C -0.057 176.794 176.870 -0.032 0.000 1.061 250 L CA 0.364 55.209 54.840 0.008 0.000 0.807 250 L CB 1.154 43.249 42.059 0.059 0.000 1.177 250 L HN 0.708 nan 8.230 nan 0.000 0.429 251 S N 3.689 119.356 115.700 -0.054 0.000 2.540 251 S HA 0.782 5.253 4.470 0.001 0.000 0.275 251 S C -1.045 173.424 174.600 -0.219 0.000 1.123 251 S CA -0.857 57.256 58.200 -0.145 0.000 0.907 251 S CB 1.579 64.691 63.200 -0.147 0.000 1.081 251 S HN 0.378 nan 8.310 nan 0.000 0.476 252 V N 3.833 123.584 119.914 -0.271 0.000 2.384 252 V HA 0.426 4.547 4.120 0.001 0.000 0.287 252 V C -0.623 175.283 176.094 -0.312 0.000 1.020 252 V CA -0.505 61.696 62.300 -0.165 0.000 0.850 252 V CB 0.969 32.800 31.823 0.013 0.000 0.987 252 V HN 0.947 nan 8.190 nan 0.000 0.436 253 H N 6.320 125.435 119.070 0.075 0.000 2.572 253 H HA 0.513 5.069 4.556 0.001 0.000 0.248 253 H C -0.416 174.954 175.328 0.069 0.000 1.397 253 H CA -0.077 55.988 56.048 0.027 0.000 1.319 253 H CB 1.026 30.746 29.762 -0.070 0.000 1.452 253 H HN 0.445 nan 8.280 nan 0.000 0.535 254 L N 0.849 122.172 121.223 0.166 0.000 2.299 254 L HA 0.410 4.751 4.340 0.001 0.000 0.268 254 L C 0.823 177.760 176.870 0.111 0.000 1.012 254 L CA -0.751 54.188 54.840 0.165 0.000 0.816 254 L CB 1.674 43.849 42.059 0.194 0.000 1.355 254 L HN 0.188 nan 8.230 nan 0.000 0.457 255 K N 0.557 121.017 120.400 0.099 0.000 3.205 255 K HA 0.362 4.682 4.320 0.001 0.000 0.202 255 K C 0.013 176.609 176.600 -0.007 0.000 1.160 255 K CA -0.247 56.073 56.287 0.054 0.000 0.995 255 K CB 0.585 33.145 32.500 0.099 0.000 1.041 255 K HN 0.659 nan 8.250 nan 0.000 0.507 256 A N 1.146 123.940 122.820 -0.045 0.000 2.150 256 A HA -0.022 4.299 4.320 0.001 0.000 0.220 256 A C 1.214 178.719 177.584 -0.132 0.000 1.356 256 A CA 0.928 52.904 52.037 -0.100 0.000 1.145 256 A CB -0.809 18.070 19.000 -0.202 0.000 0.826 256 A HN 0.670 nan 8.150 nan 0.000 0.524 257 T N -4.419 110.070 114.554 -0.108 0.000 3.311 257 T HA 0.073 4.423 4.350 0.001 0.000 0.239 257 T C 1.830 176.436 174.700 -0.156 0.000 0.976 257 T CA 0.566 62.593 62.100 -0.120 0.000 1.283 257 T CB -0.441 68.375 68.868 -0.087 0.000 1.113 257 T HN 0.136 nan 8.240 nan 0.000 0.392 258 M N 0.894 120.399 119.600 -0.158 0.000 2.132 258 M HA 0.200 4.680 4.480 0.001 0.000 0.263 258 M C 0.603 176.767 176.300 -0.226 0.000 1.065 258 M CA 1.376 56.532 55.300 -0.240 0.000 1.122 258 M CB -0.766 31.637 32.600 -0.329 0.000 1.365 258 M HN 0.200 nan 8.290 nan 0.000 0.411 259 M N 2.660 122.197 119.600 -0.105 0.000 3.742 259 M HA 0.039 4.520 4.480 0.001 0.000 0.197 259 M C 1.189 177.447 176.300 -0.069 0.000 1.417 259 M CA 0.256 55.560 55.300 0.006 0.000 1.653 259 M CB -1.342 31.258 32.600 0.000 0.000 1.079 259 M HN 0.272 nan 8.290 nan 0.000 0.558 260 K N -1.129 119.124 120.400 -0.244 0.000 2.293 260 K HA -0.132 4.188 4.320 0.001 0.000 0.204 260 K C 1.177 177.722 176.600 -0.092 0.000 1.045 260 K CA 1.308 57.471 56.287 -0.207 0.000 0.933 260 K CB -0.421 31.889 32.500 -0.317 0.000 0.736 260 K HN 0.304 nan 8.250 nan 0.000 0.463 261 V N 1.132 121.037 119.914 -0.014 0.000 2.490 261 V HA -0.147 3.973 4.120 0.001 0.000 0.238 261 V C 2.598 178.718 176.094 0.044 0.000 1.056 261 V CA 1.512 63.820 62.300 0.014 0.000 1.075 261 V CB 0.381 32.217 31.823 0.021 0.000 0.746 261 V HN 0.570 nan 8.190 nan 0.000 0.479 262 S N 0.009 115.750 115.700 0.069 0.000 2.388 262 S HA -0.152 4.319 4.470 0.001 0.000 0.223 262 S C 1.586 176.266 174.600 0.133 0.000 1.034 262 S CA 1.350 59.623 58.200 0.121 0.000 0.963 262 S CB -0.516 62.781 63.200 0.162 0.000 0.827 262 S HN 0.479 nan 8.310 nan 0.000 0.481 263 D N 3.196 123.654 120.400 0.098 0.000 2.117 263 D HA 0.044 4.684 4.640 0.001 0.000 0.197 263 D C -0.785 175.595 176.300 0.133 0.000 0.987 263 D CA 1.111 55.181 54.000 0.118 0.000 0.829 263 D CB -1.274 39.571 40.800 0.075 0.000 0.961 263 D HN 0.380 nan 8.370 nan 0.000 0.460 264 P HA -0.061 nan 4.420 nan 0.000 0.218 264 P C 1.322 178.720 177.300 0.164 0.000 1.149 264 P CA 0.812 63.962 63.100 0.085 0.000 0.817 264 P CB 0.114 31.815 31.700 0.002 0.000 0.785 265 I N -1.797 118.850 120.570 0.128 0.000 2.202 265 I HA -0.235 3.936 4.170 0.001 0.000 0.242 265 I C 2.321 178.528 176.117 0.150 0.000 1.091 265 I CA 1.581 62.955 61.300 0.124 0.000 1.368 265 I CB -0.531 37.536 38.000 0.112 0.000 1.058 265 I HN -0.078 nan 8.210 nan 0.000 0.410 266 M N -0.451 119.256 119.600 0.178 0.000 2.117 266 M HA -0.218 4.262 4.480 0.001 0.000 0.262 266 M C 2.393 178.810 176.300 0.194 0.000 1.065 266 M CA 1.866 57.273 55.300 0.179 0.000 1.114 266 M CB -0.539 32.182 32.600 0.201 0.000 1.361 266 M HN 0.166 nan 8.290 nan 0.000 0.408 267 F N 1.301 121.297 119.950 0.076 0.000 2.065 267 F HA -0.168 4.360 4.527 0.001 0.000 0.298 267 F C 2.300 178.140 175.800 0.067 0.000 1.112 267 F CA 2.026 60.065 58.000 0.065 0.000 1.212 267 F CB -0.933 38.092 39.000 0.041 0.000 0.975 267 F HN 0.099 nan 8.300 nan 0.000 0.476 268 G N -0.848 108.037 108.800 0.142 0.000 2.418 268 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 268 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 268 G C 1.464 176.374 174.900 0.017 0.000 1.158 268 G CA 0.781 45.900 45.100 0.032 0.000 0.771 268 G HN 0.490 nan 8.290 nan 0.000 0.545 269 Q N -0.298 119.535 119.800 0.055 0.000 2.234 269 Q HA -0.018 4.323 4.340 0.001 0.000 0.206 269 Q C 2.482 178.526 176.000 0.074 0.000 0.980 269 Q CA 0.739 56.584 55.803 0.071 0.000 0.869 269 Q CB -0.152 28.639 28.738 0.087 0.000 0.912 269 Q HN 0.549 nan 8.270 nan 0.000 0.436 270 I N -0.317 120.271 120.570 0.030 0.000 2.188 270 I HA -0.210 3.960 4.170 0.001 0.000 0.237 270 I C 2.094 178.248 176.117 0.061 0.000 1.073 270 I CA 0.764 62.081 61.300 0.028 0.000 1.359 270 I CB -0.341 37.617 38.000 -0.070 0.000 1.083 270 I HN 0.010 nan 8.210 nan 0.000 0.412 271 V N 0.344 120.218 119.914 -0.068 0.000 2.660 271 V HA -0.282 3.839 4.120 0.001 0.000 0.257 271 V C 2.426 178.689 176.094 0.282 0.000 1.088 271 V CA 1.822 64.167 62.300 0.076 0.000 1.106 271 V CB -0.820 30.930 31.823 -0.123 0.000 0.686 271 V HN 0.345 nan 8.190 nan 0.000 0.481 272 S N -0.310 115.495 115.700 0.176 0.000 2.317 272 S HA -0.126 4.344 4.470 0.001 0.000 0.212 272 S C 1.929 176.654 174.600 0.207 0.000 1.030 272 S CA 1.114 59.427 58.200 0.188 0.000 0.970 272 S CB -0.257 63.014 63.200 0.117 0.000 0.928 272 S HN 0.621 nan 8.310 nan 0.000 0.451 273 E N 0.323 120.620 120.200 0.162 0.000 2.501 273 E HA -0.051 4.299 4.350 0.001 0.000 0.203 273 E C 1.075 177.761 176.600 0.144 0.000 1.072 273 E CA 0.479 56.956 56.400 0.127 0.000 0.885 273 E CB -0.235 29.526 29.700 0.101 0.000 0.813 273 E HN 0.537 nan 8.360 nan 0.000 0.556 274 F N -1.121 118.860 119.950 0.053 0.000 2.287 274 F HA 0.063 4.591 4.527 0.001 0.000 0.276 274 F C 0.754 176.485 175.800 -0.115 0.000 1.047 274 F CA 0.352 58.316 58.000 -0.059 0.000 1.194 274 F CB -0.013 38.921 39.000 -0.109 0.000 1.118 274 F HN -0.055 nan 8.300 nan 0.000 0.556 275 Y N 2.718 123.236 120.300 0.364 0.000 2.471 275 Y HA 0.096 4.646 4.550 0.001 0.000 0.321 275 Y C 1.981 177.908 175.900 0.045 0.000 1.195 275 Y CA -0.020 58.184 58.100 0.174 0.000 1.272 275 Y CB -1.381 37.174 38.460 0.159 0.000 1.097 275 Y HN 0.186 nan 8.280 nan 0.000 0.507 276 K N -0.172 120.311 120.400 0.138 0.000 2.034 276 K HA -0.257 4.063 4.320 0.001 0.000 0.214 276 K C 1.040 177.650 176.600 0.016 0.000 1.051 276 K CA 2.234 58.565 56.287 0.074 0.000 0.931 276 K CB -0.406 32.117 32.500 0.039 0.000 0.715 276 K HN 0.188 nan 8.250 nan 0.000 0.446 277 D N 1.227 121.609 120.400 -0.029 0.000 2.133 277 D HA -0.176 4.465 4.640 0.001 0.000 0.195 277 D C 2.085 178.334 176.300 -0.085 0.000 0.997 277 D CA 1.881 55.844 54.000 -0.063 0.000 0.840 277 D CB -0.193 40.558 40.800 -0.082 0.000 0.947 277 D HN 0.516 nan 8.370 nan 0.000 0.452 278 A N 0.766 123.555 122.820 -0.052 0.000 1.897 278 A HA -0.040 4.280 4.320 0.001 0.000 0.215 278 A C 2.381 179.919 177.584 -0.076 0.000 1.181 278 A CA 0.598 52.593 52.037 -0.070 0.000 0.620 278 A CB -0.570 18.442 19.000 0.020 0.000 0.821 278 A HN 0.173 nan 8.150 nan 0.000 0.443 279 L N -0.650 120.575 121.223 0.003 0.000 2.395 279 L HA -0.058 4.283 4.340 0.001 0.000 0.218 279 L C 2.297 179.165 176.870 -0.003 0.000 1.130 279 L CA 1.254 56.106 54.840 0.019 0.000 0.826 279 L CB -0.601 41.507 42.059 0.081 0.000 0.941 279 L HN 0.312 nan 8.230 nan 0.000 0.451 280 T N -0.715 113.813 114.554 -0.042 0.000 2.937 280 T HA -0.126 4.224 4.350 0.001 0.000 0.260 280 T C 1.911 176.546 174.700 -0.109 0.000 1.051 280 T CA 0.809 62.881 62.100 -0.047 0.000 1.141 280 T CB 0.101 68.945 68.868 -0.041 0.000 0.879 280 T HN 0.231 nan 8.240 nan 0.000 0.459 281 K N 0.606 120.863 120.400 -0.238 0.000 2.283 281 K HA -0.108 4.213 4.320 0.001 0.000 0.202 281 K C 0.688 177.025 176.600 -0.438 0.000 1.048 281 K CA 1.089 57.140 56.287 -0.393 0.000 0.948 281 K CB 0.090 32.223 32.500 -0.610 0.000 0.742 281 K HN 0.370 nan 8.250 nan 0.000 0.458 282 H N -0.817 118.236 119.070 -0.028 0.000 2.492 282 H HA 0.291 4.847 4.556 0.001 0.000 0.264 282 H C 1.014 176.329 175.328 -0.023 0.000 1.150 282 H CA 0.239 56.265 56.048 -0.036 0.000 0.962 282 H CB 0.703 30.424 29.762 -0.068 0.000 1.766 282 H HN 0.230 nan 8.280 nan 0.000 0.589 283 A N 1.005 123.858 122.820 0.056 0.000 1.915 283 A HA -0.273 4.047 4.320 0.001 0.000 0.220 283 A C 2.261 179.882 177.584 0.062 0.000 1.198 283 A CA 2.278 54.347 52.037 0.053 0.000 0.647 283 A CB -0.151 18.868 19.000 0.031 0.000 0.825 283 A HN 0.489 nan 8.150 nan 0.000 0.456 284 E N -0.928 119.305 120.200 0.055 0.000 2.122 284 E HA -0.049 4.302 4.350 0.001 0.000 0.190 284 E C 1.966 178.590 176.600 0.039 0.000 0.977 284 E CA 0.863 57.289 56.400 0.045 0.000 0.820 284 E CB -0.058 29.662 29.700 0.034 0.000 0.770 284 E HN 0.311 nan 8.360 nan 0.000 0.462 285 V N 1.060 120.997 119.914 0.038 0.000 2.380 285 V HA -0.249 3.871 4.120 0.001 0.000 0.251 285 V C 2.115 178.208 176.094 -0.003 0.000 1.063 285 V CA 1.430 63.732 62.300 0.004 0.000 1.055 285 V CB -0.229 31.574 31.823 -0.033 0.000 0.657 285 V HN 0.244 nan 8.190 nan 0.000 0.455 286 L N 0.225 121.455 121.223 0.012 0.000 2.072 286 L HA -0.053 4.287 4.340 0.001 0.000 0.205 286 L C 2.399 179.323 176.870 0.090 0.000 1.079 286 L CA 2.282 57.139 54.840 0.027 0.000 0.752 286 L CB -1.463 40.612 42.059 0.027 0.000 0.906 286 L HN 0.394 nan 8.230 nan 0.000 0.436 287 K N -0.057 120.393 120.400 0.082 0.000 2.074 287 K HA -0.213 4.108 4.320 0.001 0.000 0.209 287 K C 2.034 178.665 176.600 0.051 0.000 1.048 287 K CA 1.591 57.921 56.287 0.072 0.000 0.926 287 K CB -0.195 32.338 32.500 0.056 0.000 0.713 287 K HN 0.388 nan 8.250 nan 0.000 0.444 288 Q N 0.158 119.980 119.800 0.036 0.000 1.917 288 Q HA -0.113 4.227 4.340 0.001 0.000 0.205 288 Q C 2.082 178.097 176.000 0.024 0.000 0.988 288 Q CA 2.134 57.950 55.803 0.022 0.000 0.851 288 Q CB -0.422 28.323 28.738 0.011 0.000 0.916 288 Q HN 0.619 nan 8.270 nan 0.000 0.424 289 I N -1.520 119.063 120.570 0.022 0.000 3.102 289 I HA 0.059 4.230 4.170 0.001 0.000 0.278 289 I C 0.736 176.882 176.117 0.048 0.000 1.316 289 I CA 0.688 62.002 61.300 0.023 0.000 1.425 289 I CB -1.343 36.664 38.000 0.012 0.000 1.073 289 I HN 0.309 nan 8.210 nan 0.000 0.503 290 G N 2.314 111.153 108.800 0.064 0.000 2.415 290 G HA2 -0.315 3.645 3.960 0.001 0.000 0.283 290 G HA3 -0.315 3.645 3.960 0.001 0.000 0.283 290 G C -0.217 174.754 174.900 0.118 0.000 1.014 290 G CA -0.013 45.130 45.100 0.072 0.000 1.323 290 G HN 0.611 nan 8.290 nan 0.000 0.502 291 F N 0.910 120.848 119.950 -0.019 0.000 2.418 291 F HA 0.535 5.063 4.527 0.001 0.000 0.341 291 F C 0.437 176.227 175.800 -0.016 0.000 1.120 291 F CA -0.352 57.630 58.000 -0.030 0.000 1.232 291 F CB 1.332 40.304 39.000 -0.045 0.000 1.175 291 F HN 0.193 nan 8.300 nan 0.000 0.569 292 D N 5.372 125.285 120.400 -0.812 0.000 2.400 292 D HA 0.076 4.717 4.640 0.001 0.000 0.272 292 D C 0.652 176.391 176.300 -0.935 0.000 1.220 292 D CA -0.240 53.367 54.000 -0.654 0.000 0.897 292 D CB 1.093 41.724 40.800 -0.282 0.000 1.134 292 D HN 0.419 nan 8.370 nan 0.000 0.507 293 V N 3.613 122.847 119.914 -1.134 0.000 2.428 293 V HA -0.268 3.853 4.120 0.001 0.000 0.255 293 V C 1.324 177.289 176.094 -0.215 0.000 1.080 293 V CA 1.846 63.750 62.300 -0.660 0.000 1.083 293 V CB -0.390 31.303 31.823 -0.216 0.000 0.665 293 V HN 0.544 nan 8.190 nan 0.000 0.461 294 N N 0.670 119.285 118.700 -0.142 0.000 2.609 294 N HA -0.052 4.688 4.740 0.001 0.000 0.190 294 N C 1.011 176.571 175.510 0.083 0.000 1.157 294 N CA 1.065 54.139 53.050 0.040 0.000 0.918 294 N CB -0.532 37.962 38.487 0.012 0.000 0.978 294 N HN 0.721 nan 8.380 nan 0.000 0.448 295 N N -0.242 118.454 118.700 -0.006 0.000 2.204 295 N HA 0.193 4.933 4.740 0.001 0.000 0.219 295 N C 0.188 175.785 175.510 0.145 0.000 1.151 295 N CA -0.090 52.972 53.050 0.020 0.000 0.867 295 N CB 0.968 39.422 38.487 -0.055 0.000 1.043 295 N HN 0.069 nan 8.380 nan 0.000 0.516 296 G N 1.217 110.194 108.800 0.295 0.000 2.712 296 G HA2 -0.244 3.717 3.960 0.001 0.000 0.686 296 G HA3 -0.244 3.717 3.960 0.001 0.000 0.686 296 G C 0.301 175.297 174.900 0.160 0.000 1.321 296 G CA -0.759 44.553 45.100 0.353 0.000 0.813 296 G HN 0.108 nan 8.290 nan 0.000 0.599 297 I N 2.081 122.650 120.570 -0.002 0.000 2.567 297 I HA 0.072 4.242 4.170 0.001 0.000 0.257 297 I C 2.606 178.595 176.117 -0.214 0.000 1.184 297 I CA 2.658 63.820 61.300 -0.229 0.000 1.451 297 I CB -0.630 36.944 38.000 -0.710 0.000 1.089 297 I HN 0.980 nan 8.210 nan 0.000 0.441 298 G N -0.239 108.479 108.800 -0.136 0.000 2.469 298 G HA2 -0.388 3.573 3.960 0.001 0.000 0.220 298 G HA3 -0.388 3.573 3.960 0.001 0.000 0.220 298 G C 1.439 176.361 174.900 0.037 0.000 1.136 298 G CA 1.148 46.172 45.100 -0.127 0.000 0.759 298 G HN 0.487 nan 8.290 nan 0.000 0.562 299 D N -0.309 120.172 120.400 0.134 0.000 2.144 299 D HA -0.090 4.550 4.640 0.001 0.000 0.199 299 D C 2.350 178.782 176.300 0.220 0.000 0.984 299 D CA 0.821 54.944 54.000 0.206 0.000 0.834 299 D CB -0.141 40.785 40.800 0.210 0.000 0.955 299 D HN 0.315 nan 8.370 nan 0.000 0.465 300 L N -0.577 120.702 121.223 0.094 0.000 1.955 300 L HA -0.238 4.103 4.340 0.001 0.000 0.213 300 L C 1.883 178.603 176.870 -0.250 0.000 1.072 300 L CA 1.447 56.006 54.840 -0.469 0.000 0.755 300 L CB -0.626 40.773 42.059 -1.100 0.000 0.888 300 L HN 0.206 nan 8.230 nan 0.000 0.432 301 Y N -0.123 120.074 120.300 -0.171 0.000 2.283 301 Y HA -0.331 4.219 4.550 0.001 0.000 0.285 301 Y C 2.426 178.285 175.900 -0.067 0.000 1.176 301 Y CA 0.826 58.855 58.100 -0.118 0.000 1.229 301 Y CB -0.304 38.087 38.460 -0.116 0.000 0.975 301 Y HN 0.444 nan 8.280 nan 0.000 0.537 302 A N -0.668 122.215 122.820 0.104 0.000 2.115 302 A HA 0.048 4.369 4.320 0.001 0.000 0.211 302 A C 2.041 179.651 177.584 0.044 0.000 1.169 302 A CA 0.114 52.193 52.037 0.070 0.000 0.787 302 A CB 0.046 19.087 19.000 0.068 0.000 0.858 302 A HN 0.209 nan 8.150 nan 0.000 0.474 303 R N 0.092 120.613 120.500 0.034 0.000 2.210 303 R HA 0.094 4.435 4.340 0.001 0.000 0.203 303 R C 1.859 178.153 176.300 -0.010 0.000 1.010 303 R CA 1.230 57.344 56.100 0.024 0.000 1.008 303 R CB -0.398 29.938 30.300 0.060 0.000 0.923 303 R HN 0.794 nan 8.270 nan 0.000 0.469 304 I N -1.213 119.337 120.570 -0.033 0.000 2.876 304 I HA -0.021 4.150 4.170 0.001 0.000 0.264 304 I C 1.202 177.304 176.117 -0.026 0.000 1.204 304 I CA 0.714 61.983 61.300 -0.051 0.000 1.485 304 I CB -0.189 37.757 38.000 -0.090 0.000 1.103 304 I HN -0.197 nan 8.210 nan 0.000 0.446 305 K N 1.052 121.450 120.400 -0.004 0.000 2.520 305 K HA -0.164 4.157 4.320 0.001 0.000 0.197 305 K C 1.807 178.402 176.600 -0.009 0.000 1.044 305 K CA 1.629 57.916 56.287 -0.000 0.000 0.938 305 K CB -0.515 31.990 32.500 0.009 0.000 0.767 305 K HN 0.507 nan 8.250 nan 0.000 0.481 306 T N 0.014 114.560 114.554 -0.014 0.000 3.037 306 T HA 0.078 4.429 4.350 0.001 0.000 0.251 306 T C 0.655 175.342 174.700 -0.022 0.000 1.079 306 T CA -0.252 61.838 62.100 -0.017 0.000 1.067 306 T CB 0.219 69.077 68.868 -0.017 0.000 0.948 306 T HN -0.117 nan 8.240 nan 0.000 0.496 307 L N 2.204 123.409 121.223 -0.030 0.000 2.453 307 L HA 0.425 4.766 4.340 0.001 0.000 0.261 307 L C -2.037 174.813 176.870 -0.032 0.000 1.179 307 L CA -1.954 52.863 54.840 -0.037 0.000 0.813 307 L CB 0.230 42.255 42.059 -0.058 0.000 1.110 307 L HN 0.054 nan 8.230 nan 0.000 0.466 308 P HA -0.055 nan 4.420 nan 0.000 0.263 308 P C 0.608 177.892 177.300 -0.026 0.000 1.175 308 P CA 0.234 63.319 63.100 -0.025 0.000 0.761 308 P CB 0.539 32.224 31.700 -0.025 0.000 0.794 309 E N 3.931 124.120 120.200 -0.019 0.000 2.169 309 E HA -0.286 4.065 4.350 0.001 0.000 0.202 309 E C 1.699 178.288 176.600 -0.018 0.000 1.016 309 E CA 2.413 58.803 56.400 -0.016 0.000 0.817 309 E CB -0.571 29.122 29.700 -0.011 0.000 0.736 309 E HN 0.498 nan 8.360 nan 0.000 0.462 310 A N -0.263 122.545 122.820 -0.020 0.000 2.030 310 A HA 0.014 4.334 4.320 0.001 0.000 0.215 310 A C 2.050 179.613 177.584 -0.035 0.000 1.164 310 A CA 1.105 53.130 52.037 -0.021 0.000 0.697 310 A CB -0.283 18.707 19.000 -0.015 0.000 0.827 310 A HN 0.178 nan 8.150 nan 0.000 0.457 311 K N -0.110 120.262 120.400 -0.046 0.000 2.057 311 K HA -0.178 4.143 4.320 0.001 0.000 0.207 311 K C 2.192 178.730 176.600 -0.102 0.000 1.049 311 K CA 1.582 57.823 56.287 -0.077 0.000 0.931 311 K CB -0.157 32.297 32.500 -0.076 0.000 0.714 311 K HN 0.629 nan 8.250 nan 0.000 0.440 312 Q N 0.597 120.353 119.800 -0.072 0.000 2.002 312 Q HA -0.222 4.119 4.340 0.001 0.000 0.204 312 Q C 2.121 178.092 176.000 -0.049 0.000 0.988 312 Q CA 1.573 57.338 55.803 -0.063 0.000 0.843 312 Q CB -0.261 28.460 28.738 -0.028 0.000 0.908 312 Q HN 0.148 nan 8.270 nan 0.000 0.420 313 K N 1.506 121.890 120.400 -0.026 0.000 2.107 313 K HA -0.297 4.024 4.320 0.001 0.000 0.211 313 K C 1.749 178.341 176.600 -0.014 0.000 1.049 313 K CA 2.043 58.324 56.287 -0.009 0.000 0.927 313 K CB -0.221 32.276 32.500 -0.005 0.000 0.714 313 K HN 0.301 nan 8.250 nan 0.000 0.452 314 E N 0.268 120.445 120.200 -0.038 0.000 2.038 314 E HA -0.186 4.164 4.350 0.001 0.000 0.195 314 E C 2.293 178.871 176.600 -0.036 0.000 1.000 314 E CA 1.774 58.156 56.400 -0.031 0.000 0.803 314 E CB -0.146 29.522 29.700 -0.053 0.000 0.750 314 E HN 0.411 nan 8.360 nan 0.000 0.448 315 I N 0.669 121.140 120.570 -0.164 0.000 2.076 315 I HA -0.291 3.879 4.170 0.001 0.000 0.237 315 I C 2.707 178.806 176.117 -0.030 0.000 1.059 315 I CA 1.623 62.815 61.300 -0.180 0.000 1.317 315 I CB -0.559 37.258 38.000 -0.306 0.000 1.037 315 I HN 0.201 nan 8.210 nan 0.000 0.398 316 E N 1.668 121.867 120.200 -0.002 0.000 2.086 316 E HA -0.267 4.083 4.350 0.001 0.000 0.200 316 E C 2.031 178.673 176.600 0.069 0.000 1.012 316 E CA 2.115 58.570 56.400 0.092 0.000 0.812 316 E CB -0.337 29.446 29.700 0.139 0.000 0.743 316 E HN 0.436 nan 8.360 nan 0.000 0.453 317 A N 0.443 123.290 122.820 0.045 0.000 1.978 317 A HA -0.202 4.119 4.320 0.001 0.000 0.220 317 A C 1.996 179.602 177.584 0.036 0.000 1.170 317 A CA 1.891 53.953 52.037 0.041 0.000 0.636 317 A CB -0.558 18.461 19.000 0.031 0.000 0.810 317 A HN 0.332 nan 8.150 nan 0.000 0.448 318 D N -0.398 120.030 120.400 0.047 0.000 2.213 318 D HA -0.032 4.608 4.640 0.001 0.000 0.205 318 D C 1.897 178.194 176.300 -0.006 0.000 0.961 318 D CA 0.555 54.580 54.000 0.042 0.000 0.853 318 D CB -0.059 40.813 40.800 0.120 0.000 0.967 318 D HN 0.303 nan 8.370 nan 0.000 0.496 319 I N 1.567 122.126 120.570 -0.018 0.000 2.226 319 I HA -0.226 3.945 4.170 0.001 0.000 0.245 319 I C 2.362 178.335 176.117 -0.241 0.000 1.100 319 I CA 1.108 62.343 61.300 -0.109 0.000 1.374 319 I CB -0.953 36.994 38.000 -0.087 0.000 1.057 319 I HN 0.058 nan 8.210 nan 0.000 0.413 320 Q N 0.630 120.378 119.800 -0.088 0.000 2.135 320 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 320 Q C 2.382 178.386 176.000 0.007 0.000 0.981 320 Q CA 1.744 57.547 55.803 0.001 0.000 0.856 320 Q CB -0.535 28.252 28.738 0.082 0.000 0.902 320 Q HN 0.555 nan 8.270 nan 0.000 0.425 321 A N 0.343 123.152 122.820 -0.019 0.000 2.024 321 A HA -0.109 4.212 4.320 0.001 0.000 0.220 321 A C 2.349 179.906 177.584 -0.045 0.000 1.164 321 A CA 1.403 53.430 52.037 -0.018 0.000 0.643 321 A CB -0.352 18.634 19.000 -0.023 0.000 0.806 321 A HN 0.219 nan 8.150 nan 0.000 0.451 322 V N -1.948 117.908 119.914 -0.096 0.000 2.446 322 V HA -0.193 3.928 4.120 0.001 0.000 0.244 322 V C 2.078 178.152 176.094 -0.032 0.000 1.039 322 V CA 1.165 63.377 62.300 -0.147 0.000 1.045 322 V CB -1.158 30.529 31.823 -0.227 0.000 0.681 322 V HN 0.705 nan 8.190 nan 0.000 0.459 323 Y N 0.150 120.461 120.300 0.019 0.000 2.651 323 Y HA -0.069 4.481 4.550 0.001 0.000 0.296 323 Y C 2.287 178.195 175.900 0.014 0.000 1.150 323 Y CA 0.221 58.361 58.100 0.066 0.000 1.348 323 Y CB -0.063 38.476 38.460 0.132 0.000 0.983 323 Y HN 0.314 nan 8.280 nan 0.000 0.555 324 A N -0.693 122.201 122.820 0.123 0.000 2.085 324 A HA -0.052 4.269 4.320 0.001 0.000 0.208 324 A C 1.882 179.464 177.584 -0.003 0.000 1.191 324 A CA 0.136 52.206 52.037 0.055 0.000 0.799 324 A CB -0.047 18.977 19.000 0.041 0.000 0.877 324 A HN 0.357 nan 8.150 nan 0.000 0.473 325 Q N -0.489 119.285 119.800 -0.044 0.000 2.424 325 Q HA 0.118 4.459 4.340 0.001 0.000 0.204 325 Q C 0.038 175.957 176.000 -0.136 0.000 0.933 325 Q CA 0.224 55.972 55.803 -0.091 0.000 0.929 325 Q CB 0.221 28.887 28.738 -0.119 0.000 1.037 325 Q HN 0.519 nan 8.270 nan 0.000 0.511 326 R N 0.278 120.691 120.500 -0.145 0.000 2.807 326 R HA 0.435 4.775 4.340 0.001 0.000 0.276 326 R C -2.635 173.640 176.300 -0.041 0.000 0.979 326 R CA -2.156 53.830 56.100 -0.192 0.000 0.928 326 R CB 1.561 31.523 30.300 -0.564 0.000 1.191 326 R HN -0.011 nan 8.270 nan 0.000 0.471 327 P HA -0.107 nan 4.420 nan 0.000 0.269 327 P C -0.934 176.406 177.300 0.066 0.000 1.205 327 P CA 0.195 63.309 63.100 0.023 0.000 0.780 327 P CB 0.490 32.208 31.700 0.031 0.000 0.858 328 Q N 0.844 120.647 119.800 0.005 0.000 2.314 328 Q HA 0.269 4.609 4.340 0.001 0.000 0.258 328 Q C -0.307 175.674 176.000 -0.030 0.000 0.954 328 Q CA -0.331 55.454 55.803 -0.030 0.000 0.890 328 Q CB 0.322 29.011 28.738 -0.081 0.000 1.210 328 Q HN 0.357 nan 8.270 nan 0.000 0.410 329 L N 1.800 122.977 121.223 -0.077 0.000 2.395 329 L HA 0.403 4.744 4.340 0.001 0.000 0.269 329 L C 0.432 177.260 176.870 -0.070 0.000 1.133 329 L CA -0.707 54.077 54.840 -0.094 0.000 0.812 329 L CB 0.718 42.662 42.059 -0.191 0.000 1.125 329 L HN 0.676 nan 8.230 nan 0.000 0.452 330 A N 4.432 127.229 122.820 -0.039 0.000 2.507 330 A HA 0.417 4.737 4.320 0.001 0.000 0.235 330 A C -0.058 177.525 177.584 -0.002 0.000 1.070 330 A CA 0.060 52.102 52.037 0.008 0.000 0.768 330 A CB 0.209 19.218 19.000 0.016 0.000 1.011 330 A HN 0.620 nan 8.150 nan 0.000 0.502 331 M N 2.084 121.717 119.600 0.055 0.000 2.456 331 M HA 0.232 4.713 4.480 0.001 0.000 0.324 331 M C 0.817 177.148 176.300 0.052 0.000 1.124 331 M CA -0.462 54.846 55.300 0.013 0.000 0.959 331 M CB 1.378 33.979 32.600 0.003 0.000 1.692 331 M HN 0.404 nan 8.290 nan 0.000 0.444 332 V N 1.471 121.382 119.914 -0.005 0.000 2.488 332 V HA -0.043 4.077 4.120 0.001 0.000 0.246 332 V C 0.814 176.896 176.094 -0.020 0.000 1.046 332 V CA 1.283 63.591 62.300 0.013 0.000 1.053 332 V CB -0.409 31.417 31.823 0.004 0.000 0.679 332 V HN 0.889 nan 8.190 nan 0.000 0.458 333 N N -0.552 118.112 118.700 -0.059 0.000 2.629 333 N HA 0.060 4.800 4.740 0.001 0.000 0.277 333 N C 0.904 176.357 175.510 -0.095 0.000 1.188 333 N CA 0.704 53.697 53.050 -0.095 0.000 0.835 333 N CB 1.945 40.384 38.487 -0.080 0.000 1.420 333 N HN 0.176 nan 8.380 nan 0.000 0.542 334 S N 2.080 117.721 115.700 -0.099 0.000 2.374 334 S HA -0.159 4.312 4.470 0.001 0.000 0.227 334 S C 0.981 175.543 174.600 -0.063 0.000 1.037 334 S CA 1.224 59.388 58.200 -0.059 0.000 1.024 334 S CB -0.023 63.160 63.200 -0.028 0.000 0.861 334 S HN 0.503 nan 8.310 nan 0.000 0.456 335 D N 1.830 122.181 120.400 -0.082 0.000 2.178 335 D HA 0.001 4.641 4.640 0.001 0.000 0.202 335 D C 1.623 177.890 176.300 -0.054 0.000 0.974 335 D CA 0.990 54.952 54.000 -0.064 0.000 0.841 335 D CB -0.166 40.590 40.800 -0.073 0.000 0.953 335 D HN 0.558 nan 8.370 nan 0.000 0.478 336 K N -0.197 120.166 120.400 -0.061 0.000 2.404 336 K HA 0.208 4.528 4.320 0.001 0.000 0.194 336 K C 1.209 177.779 176.600 -0.051 0.000 1.023 336 K CA 0.449 56.705 56.287 -0.050 0.000 1.094 336 K CB 1.152 33.624 32.500 -0.046 0.000 0.841 336 K HN 0.113 nan 8.250 nan 0.000 0.523 337 G N 1.967 110.727 108.800 -0.067 0.000 2.234 337 G HA2 -0.244 3.716 3.960 0.001 0.000 0.260 337 G HA3 -0.244 3.716 3.960 0.001 0.000 0.260 337 G C 0.324 175.098 174.900 -0.210 0.000 0.987 337 G CA -0.159 44.892 45.100 -0.082 0.000 0.625 337 G HN 0.227 nan 8.290 nan 0.000 0.532 338 I N 3.245 123.689 120.570 -0.209 0.000 2.872 338 I HA 0.132 4.302 4.170 0.001 0.000 0.287 338 I C 1.621 177.439 176.117 -0.500 0.000 1.197 338 I CA 1.330 62.394 61.300 -0.392 0.000 1.390 338 I CB -1.122 36.829 38.000 -0.081 0.000 1.400 338 I HN 0.461 nan 8.210 nan 0.000 0.544 339 T N 2.517 116.509 114.554 -0.937 0.000 2.849 339 T HA 0.148 4.498 4.350 0.001 0.000 0.276 339 T C 1.213 175.851 174.700 -0.103 0.000 0.971 339 T CA -0.627 61.245 62.100 -0.379 0.000 0.949 339 T CB 1.479 70.184 68.868 -0.271 0.000 1.093 339 T HN 0.583 nan 8.240 nan 0.000 0.545 340 N N -0.325 118.351 118.700 -0.041 0.000 2.381 340 N HA -0.028 4.712 4.740 0.001 0.000 0.182 340 N C 0.986 176.589 175.510 0.154 0.000 1.025 340 N CA 0.737 53.807 53.050 0.034 0.000 0.888 340 N CB -0.318 38.150 38.487 -0.031 0.000 0.965 340 N HN 0.653 nan 8.380 nan 0.000 0.438 341 L N 0.180 121.487 121.223 0.140 0.000 2.912 341 L HA 0.187 4.527 4.340 0.001 0.000 0.240 341 L C 0.779 177.885 176.870 0.394 0.000 1.262 341 L CA -0.277 54.673 54.840 0.184 0.000 1.058 341 L CB 0.078 42.123 42.059 -0.023 0.000 1.383 341 L HN 0.023 nan 8.230 nan 0.000 0.512 342 H N -0.607 118.604 119.070 0.235 0.000 2.406 342 H HA 0.275 4.831 4.556 0.001 0.000 0.304 342 H C 0.129 175.588 175.328 0.219 0.000 1.042 342 H CA 0.490 56.665 56.048 0.213 0.000 1.360 342 H CB 0.789 30.650 29.762 0.165 0.000 1.448 342 H HN -0.047 nan 8.280 nan 0.000 0.553 343 V N 1.487 121.588 119.914 0.313 0.000 2.638 343 V HA 0.172 4.292 4.120 0.001 0.000 0.306 343 V C -1.654 174.382 176.094 -0.096 0.000 1.052 343 V CA -1.443 60.931 62.300 0.122 0.000 0.885 343 V CB 2.496 34.366 31.823 0.079 0.000 0.999 343 V HN 0.081 nan 8.190 nan 0.000 0.424 344 P HA -0.152 nan 4.420 nan 0.000 0.217 344 P C 1.129 178.107 177.300 -0.537 0.000 1.158 344 P CA 1.518 64.049 63.100 -0.947 0.000 0.887 344 P CB 0.240 31.602 31.700 -0.562 0.000 0.792 345 S N -1.374 114.175 115.700 -0.251 0.000 2.614 345 S HA 0.041 4.512 4.470 0.001 0.000 0.230 345 S C 1.074 175.642 174.600 -0.054 0.000 0.952 345 S CA -0.000 58.119 58.200 -0.134 0.000 0.949 345 S CB -0.554 62.593 63.200 -0.089 0.000 0.786 345 S HN 0.163 nan 8.310 nan 0.000 0.478 346 D N 1.457 121.839 120.400 -0.030 0.000 2.103 346 D HA -0.012 4.629 4.640 0.001 0.000 0.199 346 D C 0.457 176.771 176.300 0.023 0.000 0.978 346 D CA 1.030 55.040 54.000 0.017 0.000 0.829 346 D CB 0.206 41.034 40.800 0.046 0.000 0.981 346 D HN 0.158 nan 8.370 nan 0.000 0.464 347 V N 2.520 122.448 119.914 0.023 0.000 2.318 347 V HA 0.273 4.393 4.120 0.001 0.000 0.271 347 V C 0.180 176.295 176.094 0.035 0.000 1.030 347 V CA -0.312 62.013 62.300 0.042 0.000 0.844 347 V CB 1.138 32.981 31.823 0.032 0.000 1.015 347 V HN -0.035 nan 8.190 nan 0.000 0.460 348 I N 4.716 125.310 120.570 0.040 0.000 2.355 348 I HA 0.249 4.419 4.170 0.001 0.000 0.288 348 I C 1.225 177.359 176.117 0.030 0.000 0.999 348 I CA -0.328 60.989 61.300 0.029 0.000 1.163 348 I CB 1.839 39.846 38.000 0.012 0.000 1.316 348 I HN 0.406 nan 8.210 nan 0.000 0.454 349 V N 6.397 126.331 119.914 0.033 0.000 2.280 349 V HA -0.366 3.754 4.120 0.001 0.000 0.258 349 V C 2.194 178.126 176.094 -0.271 0.000 1.081 349 V CA 2.979 65.225 62.300 -0.091 0.000 1.070 349 V CB -0.359 31.406 31.823 -0.097 0.000 0.666 349 V HN 1.049 nan 8.190 nan 0.000 0.450 350 D N -0.184 120.099 120.400 -0.195 0.000 2.218 350 D HA -0.109 4.532 4.640 0.001 0.000 0.204 350 D C 1.795 178.043 176.300 -0.088 0.000 0.976 350 D CA 1.900 55.811 54.000 -0.148 0.000 0.853 350 D CB -0.171 40.667 40.800 0.064 0.000 0.939 350 D HN 0.623 nan 8.370 nan 0.000 0.481 351 A N 0.961 123.741 122.820 -0.067 0.000 1.944 351 A HA 0.060 4.381 4.320 0.001 0.000 0.207 351 A C 2.333 179.877 177.584 -0.065 0.000 1.265 351 A CA 1.242 53.252 52.037 -0.045 0.000 0.712 351 A CB -0.444 18.551 19.000 -0.009 0.000 0.915 351 A HN 0.306 nan 8.150 nan 0.000 0.470 352 S N 0.451 116.125 115.700 -0.044 0.000 2.378 352 S HA -0.318 4.153 4.470 0.001 0.000 0.229 352 S C 1.976 176.470 174.600 -0.176 0.000 1.052 352 S CA 2.188 60.384 58.200 -0.007 0.000 1.084 352 S CB -0.666 62.654 63.200 0.200 0.000 0.950 352 S HN 0.327 nan 8.310 nan 0.000 0.440 353 M N 2.044 121.388 119.600 -0.426 0.000 2.059 353 M HA 0.088 4.568 4.480 0.001 0.000 0.259 353 M C -0.379 175.764 176.300 -0.261 0.000 1.072 353 M CA 0.965 55.921 55.300 -0.574 0.000 1.117 353 M CB -2.857 29.066 32.600 -1.127 0.000 1.320 353 M HN 0.195 nan 8.290 nan 0.000 0.408 354 P HA -0.177 nan 4.420 nan 0.000 0.217 354 P C 1.356 178.657 177.300 0.003 0.000 1.162 354 P CA 2.497 65.571 63.100 -0.042 0.000 0.901 354 P CB -0.245 31.432 31.700 -0.038 0.000 0.793 355 A N -0.536 122.277 122.820 -0.012 0.000 1.865 355 A HA -0.238 4.082 4.320 0.001 0.000 0.217 355 A C 2.208 179.805 177.584 0.022 0.000 1.191 355 A CA 2.234 54.286 52.037 0.025 0.000 0.623 355 A CB -1.694 17.326 19.000 0.034 0.000 0.826 355 A HN 0.126 nan 8.150 nan 0.000 0.444 356 M N -0.137 119.453 119.600 -0.018 0.000 2.267 356 M HA -0.115 4.365 4.480 0.001 0.000 0.263 356 M C 1.808 178.132 176.300 0.039 0.000 1.063 356 M CA 1.665 56.947 55.300 -0.029 0.000 1.090 356 M CB -0.761 31.800 32.600 -0.065 0.000 1.392 356 M HN 0.486 nan 8.290 nan 0.000 0.422 357 I N -0.719 119.924 120.570 0.121 0.000 2.193 357 I HA -0.283 3.888 4.170 0.001 0.000 0.240 357 I C 2.598 178.980 176.117 0.441 0.000 1.084 357 I CA 0.928 62.453 61.300 0.374 0.000 1.365 357 I CB -0.647 37.543 38.000 0.317 0.000 1.064 357 I HN 0.333 nan 8.210 nan 0.000 0.410 358 R N 1.338 122.009 120.500 0.285 0.000 2.133 358 R HA -0.228 4.112 4.340 0.001 0.000 0.245 358 R C 0.681 177.057 176.300 0.126 0.000 1.137 358 R CA 1.968 58.226 56.100 0.263 0.000 0.947 358 R CB -0.316 30.089 30.300 0.174 0.000 0.865 358 R HN 0.299 nan 8.270 nan 0.000 0.437 359 D N 1.155 121.553 120.400 -0.004 0.000 2.941 359 D HA 0.009 4.649 4.640 0.001 0.000 0.236 359 D C -0.297 175.795 176.300 -0.348 0.000 1.147 359 D CA 0.557 54.461 54.000 -0.161 0.000 0.975 359 D CB 0.038 40.711 40.800 -0.213 0.000 1.162 359 D HN 0.257 nan 8.370 nan 0.000 0.444 360 S N -0.485 114.903 115.700 -0.520 0.000 3.473 360 S HA -0.208 4.262 4.470 0.001 0.000 0.339 360 S C 1.270 175.147 174.600 -1.204 0.000 1.148 360 S CA 0.521 58.069 58.200 -1.088 0.000 0.969 360 S CB -1.589 61.216 63.200 -0.659 0.000 0.936 360 S HN 0.783 nan 8.310 nan 0.000 0.530 361 G N 0.190 108.515 108.800 -0.791 0.000 2.295 361 G HA2 -0.307 3.653 3.960 0.001 0.000 0.287 361 G HA3 -0.307 3.653 3.960 0.001 0.000 0.287 361 G C -0.246 174.498 174.900 -0.261 0.000 1.055 361 G CA 0.902 45.783 45.100 -0.366 0.000 0.922 361 G HN 0.736 nan 8.290 nan 0.000 0.503 362 K N -1.186 119.048 120.400 -0.277 0.000 2.444 362 K HA 0.831 5.151 4.320 0.001 0.000 0.252 362 K C -0.117 176.324 176.600 -0.264 0.000 0.993 362 K CA -0.982 55.152 56.287 -0.255 0.000 0.847 362 K CB 1.747 34.035 32.500 -0.353 0.000 1.340 362 K HN 0.189 nan 8.250 nan 0.000 0.446 363 M N 0.902 120.362 119.600 -0.232 0.000 2.433 363 M HA 0.316 4.796 4.480 0.001 0.000 0.290 363 M C -1.522 174.666 176.300 -0.186 0.000 1.173 363 M CA -0.763 54.410 55.300 -0.211 0.000 0.905 363 M CB 1.841 34.430 32.600 -0.018 0.000 1.692 363 M HN 0.485 nan 8.290 nan 0.000 0.462 364 W N 1.411 122.717 121.300 0.011 0.000 2.314 364 W HA 0.355 5.015 4.660 0.001 0.000 0.339 364 W C 0.914 177.478 176.519 0.075 0.000 1.293 364 W CA 0.356 57.715 57.345 0.024 0.000 1.288 364 W CB -0.137 29.322 29.460 -0.001 0.000 1.186 364 W HN 0.703 nan 8.180 nan 0.000 0.566 365 G N 2.382 111.413 108.800 0.386 0.000 2.568 365 G HA2 0.389 4.350 3.960 0.001 0.000 0.293 365 G HA3 0.389 4.350 3.960 0.001 0.000 0.293 365 G C -2.040 172.952 174.900 0.152 0.000 1.347 365 G CA -1.143 44.112 45.100 0.258 0.000 1.039 365 G HN 0.213 nan 8.290 nan 0.000 0.523 366 P HA -0.072 nan 4.420 nan 0.000 0.215 366 P C 1.348 178.674 177.300 0.044 0.000 1.153 366 P CA 1.580 64.683 63.100 0.005 0.000 0.853 366 P CB 0.094 31.770 31.700 -0.040 0.000 0.788 367 D N -0.856 119.594 120.400 0.082 0.000 2.119 367 D HA -0.108 4.533 4.640 0.001 0.000 0.199 367 D C 1.507 177.871 176.300 0.107 0.000 0.987 367 D CA 2.101 56.160 54.000 0.098 0.000 0.858 367 D CB -0.987 39.899 40.800 0.144 0.000 1.008 367 D HN 0.289 nan 8.370 nan 0.000 0.450 368 G N -0.308 108.600 108.800 0.180 0.000 4.541 368 G HA2 0.031 3.991 3.960 0.001 0.000 0.221 368 G HA3 0.031 3.991 3.960 0.001 0.000 0.221 368 G C -0.120 174.972 174.900 0.321 0.000 0.774 368 G CA -0.440 44.764 45.100 0.173 0.000 1.044 368 G HN 0.343 nan 8.290 nan 0.000 0.768 369 K N 0.156 120.737 120.400 0.303 0.000 2.352 369 K HA 0.747 5.067 4.320 0.001 0.000 0.240 369 K C -0.197 176.279 176.600 -0.207 0.000 1.017 369 K CA -0.980 55.394 56.287 0.144 0.000 0.851 369 K CB 2.133 34.600 32.500 -0.055 0.000 1.261 369 K HN 0.016 nan 8.250 nan 0.000 0.451 370 L N 2.112 123.000 121.223 -0.558 0.000 2.436 370 L HA 0.251 4.591 4.340 0.001 0.000 0.265 370 L C 0.154 176.523 176.870 -0.835 0.000 1.168 370 L CA 0.009 54.408 54.840 -0.735 0.000 0.815 370 L CB 0.151 41.729 42.059 -0.801 0.000 1.109 370 L HN 0.465 nan 8.230 nan 0.000 0.462 371 H N 0.040 118.983 119.070 -0.211 0.000 3.037 371 H HA 0.245 4.801 4.556 0.001 0.000 0.355 371 H C -1.287 173.964 175.328 -0.128 0.000 1.263 371 H CA -0.897 55.071 56.048 -0.132 0.000 1.129 371 H CB 1.651 31.369 29.762 -0.073 0.000 1.861 371 H HN 0.547 nan 8.280 nan 0.000 0.546 372 D N 1.015 121.439 120.400 0.039 0.000 2.400 372 D HA 0.117 4.758 4.640 0.001 0.000 0.238 372 D C 0.389 176.716 176.300 0.045 0.000 1.157 372 D CA 0.819 54.825 54.000 0.011 0.000 0.889 372 D CB 1.477 42.298 40.800 0.036 0.000 1.199 372 D HN 0.301 nan 8.370 nan 0.000 0.436 373 T N -0.004 114.577 114.554 0.045 0.000 2.883 373 T HA 0.310 4.661 4.350 0.001 0.000 0.296 373 T C -1.055 173.651 174.700 0.010 0.000 1.117 373 T CA -0.852 61.272 62.100 0.039 0.000 1.006 373 T CB 1.501 70.389 68.868 0.033 0.000 1.191 373 T HN 0.249 nan 8.240 nan 0.000 0.508 374 K N 2.421 122.791 120.400 -0.050 0.000 2.419 374 K HA 0.652 4.972 4.320 0.001 0.000 0.244 374 K C -0.412 176.118 176.600 -0.116 0.000 1.045 374 K CA -0.640 55.491 56.287 -0.260 0.000 1.004 374 K CB 0.374 32.787 32.500 -0.145 0.000 1.376 374 K HN 0.685 nan 8.250 nan 0.000 0.460 375 A N 3.562 126.345 122.820 -0.060 0.000 2.438 375 A HA 0.212 4.532 4.320 0.001 0.000 0.280 375 A C -0.120 177.556 177.584 0.154 0.000 1.160 375 A CA -0.388 51.745 52.037 0.161 0.000 0.821 375 A CB 0.220 19.301 19.000 0.135 0.000 1.101 375 A HN 0.452 nan 8.150 nan 0.000 0.515 376 V N 5.279 125.296 119.914 0.172 0.000 2.353 376 V HA 0.205 4.325 4.120 0.001 0.000 0.264 376 V C 0.200 176.449 176.094 0.259 0.000 1.049 376 V CA 0.202 62.639 62.300 0.228 0.000 0.896 376 V CB 0.355 32.310 31.823 0.220 0.000 1.025 376 V HN 0.724 nan 8.190 nan 0.000 0.475 377 I N 7.718 128.449 120.570 0.268 0.000 2.557 377 I HA 0.243 4.414 4.170 0.001 0.000 0.277 377 I C -1.459 174.775 176.117 0.195 0.000 1.106 377 I CA -1.807 59.632 61.300 0.232 0.000 1.180 377 I CB 1.804 39.932 38.000 0.214 0.000 1.392 377 I HN 0.430 nan 8.210 nan 0.000 0.506 378 P HA -0.224 nan 4.420 nan 0.000 0.219 378 P C 0.480 177.706 177.300 -0.123 0.000 1.161 378 P CA 1.515 64.540 63.100 -0.126 0.000 0.909 378 P CB 0.203 31.901 31.700 -0.004 0.000 0.793 379 D N -2.742 117.697 120.400 0.065 0.000 2.398 379 D HA 0.146 4.787 4.640 0.001 0.000 0.264 379 D C 1.311 177.654 176.300 0.072 0.000 1.263 379 D CA -0.070 53.990 54.000 0.100 0.000 1.037 379 D CB 0.455 41.376 40.800 0.202 0.000 1.101 379 D HN -0.225 nan 8.370 nan 0.000 0.551 380 R N -0.972 119.537 120.500 0.014 0.000 2.469 380 R HA 0.193 4.534 4.340 0.001 0.000 0.250 380 R C 1.971 178.095 176.300 -0.295 0.000 0.909 380 R CA -0.127 55.882 56.100 -0.151 0.000 1.050 380 R CB -0.007 30.032 30.300 -0.436 0.000 1.256 380 R HN 0.440 nan 8.270 nan 0.000 0.550 381 C N 0.095 119.258 119.300 -0.229 0.000 2.401 381 C HA -0.137 4.323 4.460 0.001 0.000 0.276 381 C C 1.429 175.988 174.990 -0.719 0.000 1.233 381 C CA 0.951 59.660 59.018 -0.516 0.000 1.753 381 C CB -0.632 26.516 27.740 -0.986 0.000 2.029 381 C HN 0.499 nan 8.230 nan 0.000 0.478 382 Y N -0.936 119.455 120.300 0.152 0.000 2.675 382 Y HA 0.477 5.027 4.550 0.001 0.000 0.248 382 Y C 1.878 177.875 175.900 0.163 0.000 1.161 382 Y CA 0.331 58.531 58.100 0.167 0.000 1.203 382 Y CB -0.598 38.015 38.460 0.254 0.000 1.262 382 Y HN 0.102 nan 8.280 nan 0.000 0.544 383 A N 0.915 123.822 122.820 0.145 0.000 1.873 383 A HA -0.004 4.316 4.320 0.001 0.000 0.215 383 A C 2.443 180.026 177.584 -0.003 0.000 1.186 383 A CA 1.772 53.862 52.037 0.089 0.000 0.616 383 A CB -1.226 17.712 19.000 -0.103 0.000 0.823 383 A HN 0.511 nan 8.150 nan 0.000 0.442 384 G N 0.045 108.794 108.800 -0.085 0.000 2.599 384 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 384 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 384 G C 1.532 176.444 174.900 0.020 0.000 1.193 384 G CA 1.745 46.810 45.100 -0.057 0.000 0.778 384 G HN 0.393 nan 8.290 nan 0.000 0.589 385 V N -0.228 119.717 119.914 0.052 0.000 2.363 385 V HA -0.313 3.807 4.120 0.001 0.000 0.254 385 V C 2.423 178.497 176.094 -0.033 0.000 1.074 385 V CA 2.204 64.525 62.300 0.036 0.000 1.069 385 V CB -0.701 31.170 31.823 0.080 0.000 0.659 385 V HN 0.568 nan 8.190 nan 0.000 0.455 386 Y N -0.942 119.406 120.300 0.080 0.000 2.337 386 Y HA -0.171 4.379 4.550 0.001 0.000 0.293 386 Y C 2.682 178.591 175.900 0.015 0.000 1.123 386 Y CA 1.181 59.294 58.100 0.021 0.000 1.201 386 Y CB -0.068 38.380 38.460 -0.021 0.000 1.011 386 Y HN 0.217 nan 8.280 nan 0.000 0.545 387 Q N 0.408 120.298 119.800 0.150 0.000 2.050 387 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 387 Q C 2.194 178.241 176.000 0.079 0.000 0.980 387 Q CA 1.810 57.671 55.803 0.096 0.000 0.840 387 Q CB -0.612 28.149 28.738 0.040 0.000 0.898 387 Q HN 0.296 nan 8.270 nan 0.000 0.424 388 V N -0.565 119.389 119.914 0.066 0.000 2.233 388 V HA -0.280 3.840 4.120 0.001 0.000 0.247 388 V C 2.269 178.398 176.094 0.058 0.000 1.050 388 V CA 1.846 64.180 62.300 0.056 0.000 1.010 388 V CB -0.700 31.155 31.823 0.053 0.000 0.637 388 V HN 0.272 nan 8.190 nan 0.000 0.444 389 V N -0.378 119.589 119.914 0.088 0.000 2.392 389 V HA -0.275 3.845 4.120 0.001 0.000 0.249 389 V C 2.126 178.213 176.094 -0.013 0.000 1.059 389 V CA 2.172 64.530 62.300 0.098 0.000 1.051 389 V CB -0.480 31.426 31.823 0.138 0.000 0.658 389 V HN 0.457 nan 8.190 nan 0.000 0.455 390 I N -0.560 120.021 120.570 0.017 0.000 2.286 390 I HA -0.121 4.050 4.170 0.001 0.000 0.245 390 I C 2.359 178.411 176.117 -0.108 0.000 1.104 390 I CA 1.103 62.379 61.300 -0.040 0.000 1.397 390 I CB -0.293 37.775 38.000 0.113 0.000 1.072 390 I HN 0.284 nan 8.210 nan 0.000 0.417 391 E N 0.347 120.531 120.200 -0.027 0.000 2.511 391 E HA -0.163 4.187 4.350 0.001 0.000 0.196 391 E C 1.349 177.910 176.600 -0.065 0.000 1.066 391 E CA 0.490 56.878 56.400 -0.020 0.000 0.871 391 E CB -0.149 29.566 29.700 0.025 0.000 0.863 391 E HN 0.520 nan 8.360 nan 0.000 0.520 392 D N -0.525 119.804 120.400 -0.118 0.000 2.259 392 D HA -0.066 4.574 4.640 0.001 0.000 0.216 392 D C 1.724 177.860 176.300 -0.273 0.000 0.961 392 D CA 0.314 54.248 54.000 -0.111 0.000 0.878 392 D CB 0.199 40.953 40.800 -0.076 0.000 1.009 392 D HN 0.106 nan 8.370 nan 0.000 0.490 393 C N 1.791 120.745 119.300 -0.577 0.000 2.436 393 C HA -0.114 4.346 4.460 0.001 0.000 0.277 393 C C 2.465 177.157 174.990 -0.496 0.000 1.241 393 C CA 1.419 59.872 59.018 -0.942 0.000 1.721 393 C CB -0.758 25.650 27.740 -2.220 0.000 2.043 393 C HN 0.484 nan 8.230 nan 0.000 0.472 394 K N 0.858 121.085 120.400 -0.289 0.000 2.574 394 K HA -0.145 4.175 4.320 0.001 0.000 0.193 394 K C 1.548 178.128 176.600 -0.033 0.000 1.035 394 K CA 1.204 57.523 56.287 0.052 0.000 0.982 394 K CB -0.248 32.351 32.500 0.166 0.000 0.795 394 K HN 0.643 nan 8.250 nan 0.000 0.491 395 Q N -0.343 119.386 119.800 -0.118 0.000 2.149 395 Q HA 0.063 4.403 4.340 0.001 0.000 0.221 395 Q C 0.116 175.890 176.000 -0.377 0.000 0.807 395 Q CA -0.183 55.505 55.803 -0.191 0.000 1.000 395 Q CB 0.715 29.362 28.738 -0.152 0.000 1.157 395 Q HN 0.451 nan 8.270 nan 0.000 0.487 396 H N -1.754 117.231 119.070 -0.142 0.000 3.780 396 H HA 0.206 4.762 4.556 0.001 0.000 0.266 396 H C 0.218 175.443 175.328 -0.171 0.000 1.144 396 H CA 0.724 56.684 56.048 -0.146 0.000 1.176 396 H CB 1.394 31.054 29.762 -0.171 0.000 1.690 396 H HN 0.311 nan 8.280 nan 0.000 0.835 397 G N 1.454 110.199 108.800 -0.091 0.000 2.787 397 G HA2 -0.024 3.936 3.960 0.001 0.000 0.685 397 G HA3 -0.024 3.936 3.960 0.001 0.000 0.685 397 G C 0.074 174.821 174.900 -0.255 0.000 1.437 397 G CA -0.229 44.827 45.100 -0.073 0.000 0.872 397 G HN 0.527 nan 8.290 nan 0.000 0.566 398 A N 0.663 123.431 122.820 -0.087 0.000 2.520 398 A HA 0.552 4.873 4.320 0.001 0.000 0.235 398 A C 0.600 178.108 177.584 -0.126 0.000 1.065 398 A CA 0.606 52.587 52.037 -0.095 0.000 0.764 398 A CB -0.184 18.981 19.000 0.276 0.000 1.002 398 A HN 1.504 nan 8.150 nan 0.000 0.502 399 F N 0.562 120.533 119.950 0.035 0.000 2.496 399 F HA 0.245 4.773 4.527 0.001 0.000 0.344 399 F C 0.881 176.699 175.800 0.030 0.000 1.155 399 F CA -0.448 57.571 58.000 0.031 0.000 1.302 399 F CB 0.338 39.372 39.000 0.057 0.000 1.159 399 F HN 0.488 nan 8.300 nan 0.000 0.595 400 D N 2.848 123.363 120.400 0.192 0.000 2.412 400 D HA 0.252 4.892 4.640 0.001 0.000 0.224 400 D C -1.802 174.538 176.300 0.068 0.000 1.093 400 D CA -2.251 51.803 54.000 0.090 0.000 0.850 400 D CB 1.508 42.334 40.800 0.044 0.000 1.046 400 D HN 0.127 nan 8.370 nan 0.000 0.507 401 P HA -0.171 nan 4.420 nan 0.000 0.219 401 P C 1.271 178.581 177.300 0.016 0.000 1.144 401 P CA 1.460 64.569 63.100 0.014 0.000 0.806 401 P CB 0.206 31.794 31.700 -0.185 0.000 0.771 402 T N -5.667 108.881 114.554 -0.010 0.000 3.043 402 T HA -0.023 4.328 4.350 0.001 0.000 0.263 402 T C 1.449 176.149 174.700 0.001 0.000 1.094 402 T CA 1.675 63.767 62.100 -0.014 0.000 1.127 402 T CB -0.933 67.916 68.868 -0.031 0.000 0.905 402 T HN 0.199 nan 8.240 nan 0.000 0.490 403 T N -0.413 114.150 114.554 0.015 0.000 3.010 403 T HA 0.375 4.726 4.350 0.001 0.000 0.252 403 T C 0.983 175.694 174.700 0.019 0.000 0.963 403 T CA -0.223 61.885 62.100 0.013 0.000 0.952 403 T CB -0.428 68.445 68.868 0.009 0.000 1.182 403 T HN 0.578 nan 8.240 nan 0.000 0.495 404 M N 1.855 121.482 119.600 0.045 0.000 2.243 404 M HA 0.501 4.982 4.480 0.001 0.000 0.309 404 M C 0.944 177.244 176.300 0.001 0.000 1.050 404 M CA 0.150 55.476 55.300 0.044 0.000 1.139 404 M CB -0.061 32.597 32.600 0.097 0.000 1.457 404 M HN 0.156 nan 8.290 nan 0.000 0.440 405 G N 1.211 109.990 108.800 -0.034 0.000 2.582 405 G HA2 0.561 4.522 3.960 0.001 0.000 0.232 405 G HA3 0.561 4.522 3.960 0.001 0.000 0.232 405 G C -1.087 173.762 174.900 -0.085 0.000 1.458 405 G CA -0.865 44.197 45.100 -0.062 0.000 1.062 405 G HN 0.785 nan 8.290 nan 0.000 0.566 406 S N -1.948 113.684 115.700 -0.113 0.000 2.549 406 S HA 0.527 4.997 4.470 0.001 0.000 0.280 406 S C -0.990 173.494 174.600 -0.193 0.000 1.109 406 S CA -0.404 57.719 58.200 -0.128 0.000 0.905 406 S CB 2.197 65.357 63.200 -0.068 0.000 1.081 406 S HN 0.453 nan 8.310 nan 0.000 0.477 407 V N 3.825 123.593 119.914 -0.243 0.000 2.327 407 V HA 0.328 4.449 4.120 0.001 0.000 0.272 407 V C -2.291 173.736 176.094 -0.112 0.000 1.019 407 V CA -1.527 60.615 62.300 -0.263 0.000 0.814 407 V CB 0.522 31.961 31.823 -0.641 0.000 1.040 407 V HN 0.588 nan 8.190 nan 0.000 0.440 408 P HA 0.188 nan 4.420 nan 0.000 0.317 408 P C -0.271 176.982 177.300 -0.078 0.000 1.316 408 P CA -0.310 62.752 63.100 -0.063 0.000 0.744 408 P CB 0.456 32.119 31.700 -0.061 0.000 1.521 409 N N -1.091 117.554 118.700 -0.091 0.000 3.193 409 N HA 0.077 4.817 4.740 0.001 0.000 0.234 409 N C -2.078 173.365 175.510 -0.112 0.000 1.267 409 N CA -0.117 52.857 53.050 -0.128 0.000 0.875 409 N CB 0.831 39.229 38.487 -0.148 0.000 1.592 409 N HN -0.085 nan 8.380 nan 0.000 0.648 410 V N 2.702 122.545 119.914 -0.119 0.000 2.299 410 V HA 0.472 4.593 4.120 0.001 0.000 0.255 410 V C 1.152 177.285 176.094 0.065 0.000 1.100 410 V CA -0.229 62.029 62.300 -0.071 0.000 0.938 410 V CB 0.441 32.172 31.823 -0.153 0.000 1.139 410 V HN 0.595 nan 8.190 nan 0.000 0.490 411 G N 3.868 112.687 108.800 0.032 0.000 2.389 411 G HA2 0.572 4.533 3.960 0.001 0.000 0.317 411 G HA3 0.572 4.533 3.960 0.001 0.000 0.317 411 G C -0.983 173.848 174.900 -0.114 0.000 1.137 411 G CA -0.653 44.449 45.100 0.003 0.000 0.870 411 G HN 0.546 nan 8.290 nan 0.000 0.496 412 L N 2.228 123.146 121.223 -0.509 0.000 2.290 412 L HA 0.628 4.968 4.340 0.001 0.000 0.284 412 L C 1.009 177.571 176.870 -0.513 0.000 1.078 412 L CA -0.042 54.306 54.840 -0.821 0.000 0.815 412 L CB 1.070 42.162 42.059 -1.613 0.000 1.162 412 L HN 0.767 nan 8.230 nan 0.000 0.435 413 M N 3.420 122.795 119.600 -0.375 0.000 1.848 413 M HA 0.480 4.961 4.480 0.001 0.000 0.328 413 M C 0.668 176.832 176.300 -0.227 0.000 0.897 413 M CA -0.018 55.079 55.300 -0.339 0.000 1.130 413 M CB -0.001 32.373 32.600 -0.376 0.000 2.171 413 M HN 0.461 nan 8.290 nan 0.000 0.762 414 A N 2.798 125.510 122.820 -0.180 0.000 2.622 414 A HA -0.020 4.300 4.320 0.001 0.000 0.235 414 A C 0.540 178.067 177.584 -0.096 0.000 1.013 414 A CA 1.366 53.333 52.037 -0.117 0.000 0.765 414 A CB -0.416 18.530 19.000 -0.089 0.000 0.921 414 A HN 0.701 nan 8.150 nan 0.000 0.506 415 Q N -0.000 119.761 119.800 -0.064 0.000 2.463 415 Q HA -0.198 4.142 4.340 0.001 0.000 0.299 415 Q C -0.095 175.882 176.000 -0.038 0.000 1.353 415 Q CA 0.869 56.647 55.803 -0.042 0.000 0.828 415 Q CB -1.507 27.210 28.738 -0.034 0.000 1.157 415 Q HN 0.898 nan 8.270 nan 0.000 0.436 416 K N -2.294 118.086 120.400 -0.032 0.000 3.311 416 K HA -0.206 4.114 4.320 0.001 0.000 0.270 416 K C 0.075 176.655 176.600 -0.033 0.000 0.927 416 K CA 0.793 57.080 56.287 -0.001 0.000 0.706 416 K CB -1.440 31.073 32.500 0.021 0.000 1.418 416 K HN 0.630 nan 8.250 nan 0.000 0.459 417 A N 1.750 124.515 122.820 -0.092 0.000 2.546 417 A HA 0.215 4.535 4.320 0.001 0.000 0.243 417 A C 0.779 178.296 177.584 -0.113 0.000 1.063 417 A CA 0.791 52.753 52.037 -0.125 0.000 0.757 417 A CB 0.001 18.875 19.000 -0.211 0.000 0.991 417 A HN 0.526 nan 8.150 nan 0.000 0.503 418 E N 0.882 121.024 120.200 -0.096 0.000 3.611 418 E HA -0.316 4.035 4.350 0.001 0.000 0.238 418 E C 0.879 177.408 176.600 -0.118 0.000 1.468 418 E CA 1.186 57.509 56.400 -0.128 0.000 2.235 418 E CB -0.976 28.627 29.700 -0.163 0.000 2.090 418 E HN 0.834 nan 8.360 nan 0.000 0.483 419 E N -0.445 119.672 120.200 -0.138 0.000 2.164 419 E HA -0.271 4.079 4.350 0.001 0.000 0.206 419 E C 1.721 178.224 176.600 -0.161 0.000 1.032 419 E CA 2.208 58.508 56.400 -0.165 0.000 0.832 419 E CB -0.342 29.284 29.700 -0.122 0.000 0.742 419 E HN 0.338 nan 8.360 nan 0.000 0.460 420 Y N -0.638 119.544 120.300 -0.198 0.000 2.617 420 Y HA -0.087 4.463 4.550 0.001 0.000 0.284 420 Y C 1.598 177.427 175.900 -0.119 0.000 1.162 420 Y CA 1.260 59.293 58.100 -0.111 0.000 1.399 420 Y CB 0.006 38.411 38.460 -0.091 0.000 0.962 420 Y HN 0.044 nan 8.280 nan 0.000 0.576 421 G N -1.988 106.726 108.800 -0.143 0.000 4.917 421 G HA2 0.227 4.187 3.960 0.001 0.000 0.244 421 G HA3 0.227 4.187 3.960 0.001 0.000 0.244 421 G C 0.468 175.202 174.900 -0.277 0.000 1.072 421 G CA 0.276 45.281 45.100 -0.159 0.000 0.850 421 G HN 0.227 nan 8.290 nan 0.000 0.559 422 S N -1.172 114.191 115.700 -0.561 0.000 2.512 422 S HA 0.078 4.548 4.470 0.001 0.000 0.216 422 S C 1.743 176.116 174.600 -0.378 0.000 1.006 422 S CA -0.059 57.896 58.200 -0.407 0.000 0.915 422 S CB -0.306 62.661 63.200 -0.389 0.000 0.824 422 S HN 0.364 nan 8.310 nan 0.000 0.497 423 H N 3.846 122.844 119.070 -0.120 0.000 2.292 423 H HA -0.130 4.427 4.556 0.001 0.000 0.292 423 H C 1.505 176.732 175.328 -0.168 0.000 1.100 423 H CA 1.913 57.879 56.048 -0.136 0.000 1.238 423 H CB -0.946 28.748 29.762 -0.113 0.000 1.355 423 H HN 0.698 nan 8.280 nan 0.000 0.484 424 D N 0.971 121.366 120.400 -0.009 0.000 2.371 424 D HA -0.063 4.577 4.640 0.001 0.000 0.234 424 D C 0.632 176.891 176.300 -0.068 0.000 1.049 424 D CA 0.477 54.453 54.000 -0.040 0.000 0.907 424 D CB -0.151 40.669 40.800 0.034 0.000 0.891 424 D HN 0.341 nan 8.370 nan 0.000 0.531 425 K N -0.433 119.891 120.400 -0.126 0.000 2.619 425 K HA 0.158 4.478 4.320 0.001 0.000 0.201 425 K C -0.665 175.912 176.600 -0.038 0.000 1.090 425 K CA -0.165 56.171 56.287 0.081 0.000 1.063 425 K CB 1.485 34.107 32.500 0.203 0.000 0.810 425 K HN -0.101 nan 8.250 nan 0.000 0.506 426 T N 1.006 115.262 114.554 -0.497 0.000 2.786 426 T HA 0.514 4.865 4.350 0.001 0.000 0.283 426 T C -0.909 173.444 174.700 -0.578 0.000 0.992 426 T CA -0.390 61.558 62.100 -0.254 0.000 0.954 426 T CB 0.496 69.288 68.868 -0.126 0.000 0.934 426 T HN -0.076 nan 8.240 nan 0.000 0.440 427 F N 1.369 121.507 119.950 0.314 0.000 2.563 427 F HA 0.510 5.037 4.527 0.001 0.000 0.316 427 F C 0.377 176.295 175.800 0.197 0.000 1.076 427 F CA -1.262 56.867 58.000 0.215 0.000 0.921 427 F CB 1.895 40.994 39.000 0.165 0.000 1.209 427 F HN 0.350 nan 8.300 nan 0.000 0.462 428 Q N 3.057 123.027 119.800 0.283 0.000 2.322 428 Q HA 0.356 4.697 4.340 0.001 0.000 0.256 428 Q C -0.525 175.585 176.000 0.182 0.000 0.960 428 Q CA -0.755 55.169 55.803 0.201 0.000 0.934 428 Q CB 0.635 29.455 28.738 0.136 0.000 1.200 428 Q HN 0.474 nan 8.270 nan 0.000 0.435 429 I N 7.175 127.841 120.570 0.160 0.000 2.821 429 I HA -0.089 4.081 4.170 0.001 0.000 0.294 429 I C -1.648 174.505 176.117 0.061 0.000 1.210 429 I CA -1.194 60.161 61.300 0.092 0.000 1.430 429 I CB 0.379 38.424 38.000 0.074 0.000 1.356 429 I HN 0.688 nan 8.210 nan 0.000 0.563 430 P HA 0.134 nan 4.420 nan 0.000 0.235 430 P C -0.181 177.127 177.300 0.012 0.000 1.177 430 P CA 0.552 63.666 63.100 0.023 0.000 0.785 430 P CB 0.599 32.303 31.700 0.007 0.000 0.885 431 A N -1.208 121.614 122.820 0.003 0.000 2.583 431 A HA 0.394 4.715 4.320 0.001 0.000 0.292 431 A C -1.611 175.971 177.584 -0.004 0.000 1.045 431 A CA -0.729 51.309 52.037 0.000 0.000 0.672 431 A CB 0.038 19.034 19.000 -0.007 0.000 1.283 431 A HN -0.213 nan 8.150 nan 0.000 0.419 432 D N 0.144 120.544 120.400 0.000 0.000 2.478 432 D HA 0.447 5.088 4.640 0.001 0.000 0.234 432 D C 0.857 177.150 176.300 -0.013 0.000 1.154 432 D CA 2.278 56.277 54.000 -0.001 0.000 0.874 432 D CB 0.825 41.626 40.800 0.002 0.000 1.198 432 D HN 1.266 nan 8.370 nan 0.000 0.455 433 G N -0.931 107.859 108.800 -0.016 0.000 2.452 433 G HA2 0.386 4.346 3.960 0.001 0.000 0.224 433 G HA3 0.386 4.346 3.960 0.001 0.000 0.224 433 G C -1.695 173.186 174.900 -0.033 0.000 1.208 433 G CA -0.178 44.903 45.100 -0.031 0.000 0.946 433 G HN 0.610 nan 8.290 nan 0.000 0.481 434 V N -0.215 119.665 119.914 -0.057 0.000 2.777 434 V HA 0.640 4.760 4.120 0.001 0.000 0.306 434 V C -0.922 175.101 176.094 -0.118 0.000 1.112 434 V CA -0.603 61.662 62.300 -0.057 0.000 0.917 434 V CB 1.772 33.575 31.823 -0.032 0.000 1.018 434 V HN 0.885 nan 8.190 nan 0.000 0.426 435 V N 7.425 127.243 119.914 -0.160 0.000 2.481 435 V HA 0.639 4.759 4.120 0.001 0.000 0.286 435 V C 0.044 176.034 176.094 -0.173 0.000 1.042 435 V CA -0.514 61.596 62.300 -0.317 0.000 0.928 435 V CB 1.757 33.129 31.823 -0.753 0.000 0.986 435 V HN 0.861 nan 8.190 nan 0.000 0.462 436 R N 3.059 123.451 120.500 -0.179 0.000 2.532 436 R HA 0.627 4.968 4.340 0.001 0.000 0.297 436 R C -1.533 174.732 176.300 -0.058 0.000 0.984 436 R CA -0.661 55.397 56.100 -0.070 0.000 0.884 436 R CB 2.339 32.606 30.300 -0.056 0.000 1.182 436 R HN 0.514 nan 8.270 nan 0.000 0.442 437 V N 3.088 123.024 119.914 0.036 0.000 2.333 437 V HA 0.299 4.420 4.120 0.001 0.000 0.274 437 V C 0.493 176.615 176.094 0.047 0.000 1.028 437 V CA -0.484 61.857 62.300 0.069 0.000 0.851 437 V CB 1.051 32.979 31.823 0.176 0.000 1.000 437 V HN 0.910 nan 8.190 nan 0.000 0.456 438 T N 0.745 115.312 114.554 0.022 0.000 2.942 438 T HA 0.706 5.056 4.350 0.001 0.000 0.289 438 T C -0.479 174.234 174.700 0.022 0.000 1.044 438 T CA -0.774 61.336 62.100 0.017 0.000 1.023 438 T CB 2.321 71.189 68.868 -0.001 0.000 1.123 438 T HN 0.640 nan 8.240 nan 0.000 0.512 439 D N -0.025 120.388 120.400 0.020 0.000 2.589 439 D HA 0.316 4.956 4.640 0.001 0.000 0.268 439 D C 1.131 177.440 176.300 0.014 0.000 1.182 439 D CA -0.607 53.406 54.000 0.021 0.000 1.087 439 D CB 0.075 40.889 40.800 0.024 0.000 1.186 439 D HN 0.453 nan 8.370 nan 0.000 0.620 440 E N -0.460 119.749 120.200 0.015 0.000 2.110 440 E HA -0.146 4.204 4.350 0.001 0.000 0.193 440 E C 2.005 178.609 176.600 0.008 0.000 0.988 440 E CA 1.812 58.219 56.400 0.011 0.000 0.804 440 E CB -0.318 29.389 29.700 0.012 0.000 0.745 440 E HN 0.576 nan 8.360 nan 0.000 0.458 441 S N -1.283 114.422 115.700 0.008 0.000 2.388 441 S HA 0.096 4.566 4.470 0.001 0.000 0.223 441 S C 1.633 176.236 174.600 0.004 0.000 1.034 441 S CA 1.102 59.306 58.200 0.006 0.000 0.963 441 S CB 0.456 63.660 63.200 0.007 0.000 0.827 441 S HN 0.295 nan 8.310 nan 0.000 0.481 442 G N 0.726 109.529 108.800 0.005 0.000 2.200 442 G HA2 -0.115 3.846 3.960 0.001 0.000 0.145 442 G HA3 -0.115 3.846 3.960 0.001 0.000 0.145 442 G C -0.190 174.713 174.900 0.005 0.000 1.021 442 G CA -0.180 44.921 45.100 0.002 0.000 0.720 442 G HN 0.639 nan 8.290 nan 0.000 0.494 443 K N 0.773 121.178 120.400 0.009 0.000 2.368 443 K HA 0.445 4.766 4.320 0.001 0.000 0.282 443 K C 0.125 176.734 176.600 0.015 0.000 1.035 443 K CA -0.714 55.580 56.287 0.011 0.000 0.973 443 K CB 0.461 32.969 32.500 0.013 0.000 0.957 443 K HN 0.127 nan 8.250 nan 0.000 0.474 444 L N 6.858 128.090 121.223 0.015 0.000 2.407 444 L HA 0.091 4.432 4.340 0.001 0.000 0.282 444 L C 0.497 177.385 176.870 0.030 0.000 1.110 444 L CA 0.506 55.358 54.840 0.020 0.000 0.863 444 L CB 0.220 42.289 42.059 0.016 0.000 1.207 444 L HN 0.836 nan 8.230 nan 0.000 0.454 445 L N 4.526 125.773 121.223 0.040 0.000 2.102 445 L HA 0.125 4.465 4.340 0.001 0.000 0.202 445 L C 0.302 177.210 176.870 0.064 0.000 1.076 445 L CA 0.700 55.570 54.840 0.050 0.000 0.761 445 L CB -0.034 42.060 42.059 0.057 0.000 0.921 445 L HN 0.451 nan 8.230 nan 0.000 0.444 446 L N -1.333 119.940 121.223 0.084 0.000 2.359 446 L HA 0.512 4.853 4.340 0.001 0.000 0.256 446 L C -0.936 176.002 176.870 0.114 0.000 1.026 446 L CA -0.598 54.309 54.840 0.112 0.000 0.828 446 L CB 2.520 44.677 42.059 0.165 0.000 1.406 446 L HN -0.119 nan 8.230 nan 0.000 0.413 447 E N 1.886 122.164 120.200 0.129 0.000 2.677 447 E HA 0.202 4.553 4.350 0.001 0.000 0.330 447 E C -2.078 174.599 176.600 0.128 0.000 0.933 447 E CA -0.511 55.952 56.400 0.105 0.000 0.797 447 E CB 1.747 31.480 29.700 0.054 0.000 1.326 447 E HN 0.409 nan 8.360 nan 0.000 0.404 448 Q N 2.223 122.124 119.800 0.169 0.000 2.305 448 Q HA 0.288 4.629 4.340 0.001 0.000 0.271 448 Q C -1.130 174.947 176.000 0.128 0.000 1.046 448 Q CA -0.401 55.507 55.803 0.175 0.000 0.798 448 Q CB 2.377 31.285 28.738 0.284 0.000 1.286 448 Q HN 0.601 nan 8.270 nan 0.000 0.435 449 S N 1.791 117.541 115.700 0.083 0.000 2.568 449 S HA 0.436 4.906 4.470 0.001 0.000 0.282 449 S C 0.074 174.715 174.600 0.068 0.000 1.338 449 S CA -0.114 58.118 58.200 0.052 0.000 1.045 449 S CB 0.097 63.320 63.200 0.037 0.000 0.873 449 S HN 0.430 nan 8.310 nan 0.000 0.516 450 V N 1.740 121.678 119.914 0.041 0.000 3.160 450 V HA 0.790 4.910 4.120 0.001 0.000 0.310 450 V C -0.963 175.149 176.094 0.031 0.000 1.181 450 V CA -0.896 61.435 62.300 0.052 0.000 1.047 450 V CB 1.853 33.707 31.823 0.051 0.000 1.068 450 V HN 0.880 nan 8.190 nan 0.000 0.441 451 E N 0.759 120.982 120.200 0.038 0.000 2.314 451 E HA 0.673 5.024 4.350 0.001 0.000 0.272 451 E C -0.464 176.157 176.600 0.035 0.000 0.884 451 E CA -0.908 55.509 56.400 0.029 0.000 0.753 451 E CB 2.297 32.013 29.700 0.026 0.000 1.213 451 E HN 1.288 nan 8.360 nan 0.000 0.432 452 A N 1.308 124.145 122.820 0.028 0.000 2.598 452 A HA 0.308 4.628 4.320 0.001 0.000 0.239 452 A C 1.281 178.890 177.584 0.043 0.000 1.032 452 A CA 1.452 53.509 52.037 0.033 0.000 0.760 452 A CB -0.610 18.405 19.000 0.026 0.000 0.946 452 A HN 0.948 nan 8.150 nan 0.000 0.512 453 G N 2.126 110.959 108.800 0.055 0.000 2.299 453 G HA2 -0.220 3.741 3.960 0.001 0.000 0.237 453 G HA3 -0.220 3.741 3.960 0.001 0.000 0.237 453 G C 0.111 175.054 174.900 0.072 0.000 1.027 453 G CA 0.377 45.514 45.100 0.061 0.000 0.619 453 G HN 0.883 nan 8.290 nan 0.000 0.513 454 D N 0.716 121.158 120.400 0.071 0.000 2.419 454 D HA 0.368 5.008 4.640 0.001 0.000 0.236 454 D C 1.014 177.389 176.300 0.126 0.000 1.165 454 D CA 0.419 54.463 54.000 0.074 0.000 0.882 454 D CB 0.470 41.315 40.800 0.074 0.000 1.201 454 D HN 0.414 nan 8.370 nan 0.000 0.443 455 I N 1.656 122.291 120.570 0.108 0.000 2.328 455 I HA 0.265 4.435 4.170 0.001 0.000 0.287 455 I C -0.508 175.775 176.117 0.277 0.000 1.012 455 I CA -0.836 60.584 61.300 0.201 0.000 1.195 455 I CB 0.890 39.019 38.000 0.214 0.000 1.350 455 I HN 0.265 nan 8.210 nan 0.000 0.464 456 W N 8.829 130.239 121.300 0.183 0.000 2.573 456 W HA 0.620 5.281 4.660 0.001 0.000 0.326 456 W C -0.442 176.237 176.519 0.268 0.000 1.049 456 W CA -0.541 56.931 57.345 0.212 0.000 1.220 456 W CB 1.128 30.698 29.460 0.183 0.000 1.373 456 W HN 0.480 nan 8.180 nan 0.000 0.507 457 R N 5.784 125.943 120.500 -0.568 0.000 2.799 457 R HA 0.756 5.097 4.340 0.001 0.000 0.270 457 R C -1.971 173.666 176.300 -1.105 0.000 1.010 457 R CA -1.159 54.591 56.100 -0.582 0.000 0.916 457 R CB 2.136 32.297 30.300 -0.233 0.000 1.228 457 R HN 0.692 nan 8.270 nan 0.000 0.469 458 M N 1.995 121.241 119.600 -0.591 0.000 2.326 458 M HA 0.488 4.968 4.480 0.001 0.000 0.292 458 M C -1.866 174.317 176.300 -0.195 0.000 1.081 458 M CA -0.473 54.605 55.300 -0.369 0.000 0.919 458 M CB 2.056 34.612 32.600 -0.074 0.000 1.634 458 M HN 0.835 nan 8.290 nan 0.000 0.451 459 C N 3.219 122.417 119.300 -0.169 0.000 2.561 459 C HA 0.692 5.153 4.460 0.001 0.000 0.319 459 C C -0.860 174.096 174.990 -0.057 0.000 1.198 459 C CA -0.617 58.312 59.018 -0.149 0.000 1.665 459 C CB 1.826 29.423 27.740 -0.238 0.000 2.258 459 C HN 0.818 nan 8.230 nan 0.000 0.493 460 Q N 1.564 121.344 119.800 -0.033 0.000 2.292 460 Q HA 0.728 5.068 4.340 0.001 0.000 0.270 460 Q C -1.329 174.687 176.000 0.027 0.000 1.024 460 Q CA -0.374 55.443 55.803 0.023 0.000 0.768 460 Q CB 1.844 30.595 28.738 0.023 0.000 1.250 460 Q HN 0.771 nan 8.270 nan 0.000 0.447 461 A N 3.576 126.444 122.820 0.079 0.000 2.258 461 A HA 0.468 4.788 4.320 0.001 0.000 0.316 461 A C -0.657 176.936 177.584 0.015 0.000 1.279 461 A CA -0.731 51.331 52.037 0.041 0.000 0.876 461 A CB 0.685 19.740 19.000 0.092 0.000 1.170 461 A HN 0.704 nan 8.150 nan 0.000 0.520 462 K N 1.589 121.985 120.400 -0.007 0.000 2.218 462 K HA 0.076 4.396 4.320 0.001 0.000 0.276 462 K C 0.634 177.237 176.600 0.005 0.000 1.022 462 K CA -0.476 55.812 56.287 0.002 0.000 0.946 462 K CB 1.200 33.697 32.500 -0.004 0.000 1.000 462 K HN 0.856 nan 8.250 nan 0.000 0.468 463 D N 2.845 123.262 120.400 0.028 0.000 2.106 463 D HA -0.235 4.406 4.640 0.001 0.000 0.191 463 D C 1.516 177.817 176.300 0.003 0.000 0.997 463 D CA 1.889 55.915 54.000 0.044 0.000 0.834 463 D CB 0.237 41.084 40.800 0.079 0.000 0.956 463 D HN 0.631 nan 8.370 nan 0.000 0.448 464 A N 1.418 124.239 122.820 0.003 0.000 1.884 464 A HA -0.171 4.150 4.320 0.001 0.000 0.219 464 A C -0.162 177.411 177.584 -0.019 0.000 1.197 464 A CA 2.291 54.322 52.037 -0.011 0.000 0.637 464 A CB -1.754 17.246 19.000 -0.000 0.000 0.827 464 A HN 0.322 nan 8.150 nan 0.000 0.450 465 P HA -0.122 nan 4.420 nan 0.000 0.215 465 P C 1.383 178.692 177.300 0.015 0.000 1.153 465 P CA 0.983 64.067 63.100 -0.028 0.000 0.853 465 P CB -0.120 31.538 31.700 -0.070 0.000 0.788 466 I N -1.034 119.548 120.570 0.019 0.000 2.286 466 I HA -0.279 3.891 4.170 0.001 0.000 0.248 466 I C 2.489 178.717 176.117 0.184 0.000 1.115 466 I CA 1.519 62.919 61.300 0.167 0.000 1.392 466 I CB -0.516 37.573 38.000 0.148 0.000 1.065 466 I HN 0.062 nan 8.210 nan 0.000 0.418 467 Q N 0.337 120.085 119.800 -0.087 0.000 1.990 467 Q HA -0.269 4.071 4.340 0.001 0.000 0.200 467 Q C 1.852 177.837 176.000 -0.025 0.000 0.980 467 Q CA 2.096 57.753 55.803 -0.242 0.000 0.832 467 Q CB -0.271 28.269 28.738 -0.331 0.000 0.897 467 Q HN 0.425 nan 8.270 nan 0.000 0.427 468 D N -0.266 120.144 120.400 0.017 0.000 2.203 468 D HA -0.214 4.427 4.640 0.001 0.000 0.199 468 D C 1.427 177.777 176.300 0.084 0.000 0.997 468 D CA 1.204 55.227 54.000 0.038 0.000 0.863 468 D CB -0.067 40.750 40.800 0.029 0.000 0.928 468 D HN 0.293 nan 8.370 nan 0.000 0.458 469 W N 0.564 121.812 121.300 -0.087 0.000 2.376 469 W HA -0.163 4.497 4.660 0.001 0.000 0.324 469 W C 2.252 178.739 176.519 -0.054 0.000 1.191 469 W CA 1.510 58.811 57.345 -0.074 0.000 1.282 469 W CB -0.981 28.453 29.460 -0.043 0.000 1.185 469 W HN -0.133 nan 8.180 nan 0.000 0.458 470 V N 1.877 121.746 119.914 -0.075 0.000 2.313 470 V HA -0.414 3.706 4.120 0.001 0.000 0.253 470 V C 2.460 178.375 176.094 -0.298 0.000 1.070 470 V CA 2.546 64.721 62.300 -0.208 0.000 1.057 470 V CB -1.353 30.470 31.823 -0.001 0.000 0.653 470 V HN 0.307 nan 8.190 nan 0.000 0.450 471 K N -0.098 120.110 120.400 -0.320 0.000 1.965 471 K HA -0.238 4.083 4.320 0.001 0.000 0.218 471 K C 2.204 178.572 176.600 -0.386 0.000 1.048 471 K CA 2.129 58.064 56.287 -0.586 0.000 0.960 471 K CB -0.521 31.794 32.500 -0.308 0.000 0.732 471 K HN 0.276 nan 8.250 nan 0.000 0.444 472 L N 1.278 122.369 121.223 -0.220 0.000 2.123 472 L HA -0.270 4.070 4.340 0.001 0.000 0.217 472 L C 2.104 178.850 176.870 -0.206 0.000 1.081 472 L CA 2.328 57.072 54.840 -0.162 0.000 0.772 472 L CB -0.948 41.060 42.059 -0.085 0.000 0.890 472 L HN 0.411 nan 8.230 nan 0.000 0.437 473 A N -1.180 121.461 122.820 -0.298 0.000 1.841 473 A HA -0.179 4.142 4.320 0.001 0.000 0.216 473 A C 2.250 179.695 177.584 -0.231 0.000 1.199 473 A CA 2.425 54.254 52.037 -0.347 0.000 0.621 473 A CB -1.301 17.379 19.000 -0.534 0.000 0.835 473 A HN 0.287 nan 8.150 nan 0.000 0.445 474 V N 1.098 120.875 119.914 -0.229 0.000 2.250 474 V HA -0.359 3.762 4.120 0.001 0.000 0.250 474 V C 2.481 178.489 176.094 -0.143 0.000 1.060 474 V CA 2.657 64.855 62.300 -0.171 0.000 1.030 474 V CB -1.346 30.328 31.823 -0.248 0.000 0.643 474 V HN 0.817 nan 8.190 nan 0.000 0.445 475 N N 0.334 118.930 118.700 -0.174 0.000 2.058 475 N HA -0.277 4.464 4.740 0.001 0.000 0.200 475 N C 1.897 177.360 175.510 -0.079 0.000 1.033 475 N CA 2.181 55.164 53.050 -0.111 0.000 0.880 475 N CB -0.256 38.166 38.487 -0.107 0.000 1.069 475 N HN 0.253 nan 8.380 nan 0.000 0.461 476 R N 0.248 120.694 120.500 -0.090 0.000 2.091 476 R HA -0.014 4.326 4.340 0.001 0.000 0.238 476 R C 2.248 178.514 176.300 -0.057 0.000 1.136 476 R CA 1.270 57.328 56.100 -0.070 0.000 0.959 476 R CB -1.537 28.712 30.300 -0.084 0.000 0.856 476 R HN 0.466 nan 8.270 nan 0.000 0.437 477 A N 1.207 123.987 122.820 -0.066 0.000 1.927 477 A HA -0.268 4.053 4.320 0.001 0.000 0.220 477 A C 2.331 179.901 177.584 -0.023 0.000 1.185 477 A CA 2.032 54.045 52.037 -0.039 0.000 0.639 477 A CB -0.430 18.550 19.000 -0.035 0.000 0.820 477 A HN 0.261 nan 8.150 nan 0.000 0.451 478 R N -0.639 119.845 120.500 -0.027 0.000 2.060 478 R HA 0.064 4.405 4.340 0.001 0.000 0.225 478 R C 2.396 178.689 176.300 -0.011 0.000 1.155 478 R CA 1.737 57.828 56.100 -0.014 0.000 0.930 478 R CB -0.808 29.484 30.300 -0.013 0.000 0.829 478 R HN 0.364 nan 8.270 nan 0.000 0.433 479 A N -0.480 122.331 122.820 -0.015 0.000 1.954 479 A HA -0.288 4.032 4.320 0.001 0.000 0.222 479 A C 2.204 179.782 177.584 -0.009 0.000 1.199 479 A CA 2.770 54.800 52.037 -0.010 0.000 0.657 479 A CB -1.304 17.688 19.000 -0.013 0.000 0.823 479 A HN 0.729 nan 8.150 nan 0.000 0.463 480 T N -5.411 109.135 114.554 -0.013 0.000 3.039 480 T HA 0.161 4.512 4.350 0.001 0.000 0.250 480 T C 0.728 175.424 174.700 -0.008 0.000 1.052 480 T CA 0.769 62.862 62.100 -0.011 0.000 1.125 480 T CB -0.237 68.621 68.868 -0.017 0.000 0.908 480 T HN 0.548 nan 8.240 nan 0.000 0.473 481 N N 0.958 119.655 118.700 -0.006 0.000 2.771 481 N HA -0.128 4.613 4.740 0.001 0.000 0.249 481 N C -1.086 174.426 175.510 0.003 0.000 1.069 481 N CA 0.893 53.943 53.050 -0.000 0.000 0.688 481 N CB -1.472 37.017 38.487 0.002 0.000 0.928 481 N HN 0.556 nan 8.380 nan 0.000 0.551 482 T N 0.423 114.978 114.554 0.002 0.000 2.932 482 T HA 0.603 4.954 4.350 0.001 0.000 0.289 482 T C -2.506 172.211 174.700 0.028 0.000 1.039 482 T CA -1.149 60.955 62.100 0.008 0.000 1.024 482 T CB 1.911 70.775 68.868 -0.006 0.000 1.090 482 T HN -0.094 nan 8.240 nan 0.000 0.496 483 P HA 0.467 nan 4.420 nan 0.000 0.270 483 P C -1.612 175.747 177.300 0.099 0.000 1.223 483 P CA -0.347 62.815 63.100 0.104 0.000 0.785 483 P CB 0.459 32.277 31.700 0.197 0.000 0.923 484 A N 1.812 124.689 122.820 0.095 0.000 2.402 484 A HA 0.555 4.876 4.320 0.001 0.000 0.291 484 A C -1.063 176.583 177.584 0.103 0.000 1.051 484 A CA -0.492 51.586 52.037 0.068 0.000 0.716 484 A CB 0.911 19.906 19.000 -0.009 0.000 1.223 484 A HN 0.273 nan 8.150 nan 0.000 0.425 485 V N 2.024 122.031 119.914 0.154 0.000 2.547 485 V HA 0.511 4.631 4.120 0.001 0.000 0.299 485 V C -0.750 175.516 176.094 0.287 0.000 1.040 485 V CA -0.425 61.999 62.300 0.207 0.000 0.913 485 V CB 1.415 33.343 31.823 0.175 0.000 0.992 485 V HN 0.731 nan 8.190 nan 0.000 0.449 486 F N 2.731 122.787 119.950 0.177 0.000 2.405 486 F HA 0.409 4.936 4.527 0.001 0.000 0.355 486 F C -0.302 175.739 175.800 0.400 0.000 1.121 486 F CA -0.436 57.709 58.000 0.242 0.000 1.112 486 F CB 1.116 40.172 39.000 0.094 0.000 1.126 486 F HN 0.501 nan 8.300 nan 0.000 0.481 487 W N 7.024 128.459 121.300 0.224 0.000 2.072 487 W HA 0.489 5.150 4.660 0.001 0.000 0.413 487 W C -1.010 175.652 176.519 0.239 0.000 0.865 487 W CA -0.903 56.561 57.345 0.198 0.000 1.579 487 W CB -0.295 29.258 29.460 0.156 0.000 1.720 487 W HN 0.180 nan 8.180 nan 0.000 0.301 488 L N 2.926 124.390 121.223 0.402 0.000 2.372 488 L HA 0.254 4.595 4.340 0.001 0.000 0.273 488 L C -0.126 176.874 176.870 0.216 0.000 0.989 488 L CA -0.844 54.188 54.840 0.319 0.000 0.841 488 L CB 1.610 43.855 42.059 0.310 0.000 1.225 488 L HN -0.062 nan 8.230 nan 0.000 0.414 489 D N 4.992 125.520 120.400 0.213 0.000 2.317 489 D HA 0.204 4.845 4.640 0.001 0.000 0.252 489 D C -1.763 174.609 176.300 0.119 0.000 1.174 489 D CA -1.915 52.186 54.000 0.168 0.000 0.866 489 D CB 1.961 42.890 40.800 0.215 0.000 1.127 489 D HN 0.176 nan 8.370 nan 0.000 0.467 490 P HA -0.043 nan 4.420 nan 0.000 0.220 490 P C 0.893 178.215 177.300 0.037 0.000 1.148 490 P CA 1.004 64.136 63.100 0.053 0.000 0.803 490 P CB 0.231 31.956 31.700 0.042 0.000 0.782 491 A N 0.057 122.910 122.820 0.055 0.000 1.908 491 A HA -0.166 4.155 4.320 0.001 0.000 0.218 491 A C 1.332 178.856 177.584 -0.101 0.000 1.181 491 A CA 1.065 53.112 52.037 0.017 0.000 0.627 491 A CB -1.038 18.040 19.000 0.129 0.000 0.818 491 A HN 0.137 nan 8.150 nan 0.000 0.445 492 R N -0.091 120.347 120.500 -0.103 0.000 2.343 492 R HA 0.357 4.698 4.340 0.001 0.000 0.326 492 R C 1.274 177.557 176.300 -0.028 0.000 1.055 492 R CA 0.200 56.219 56.100 -0.135 0.000 0.961 492 R CB 0.492 30.761 30.300 -0.051 0.000 0.978 492 R HN 0.390 nan 8.270 nan 0.000 0.443 493 A N 2.599 125.394 122.820 -0.041 0.000 2.093 493 A HA -0.284 4.036 4.320 0.001 0.000 0.222 493 A C 1.789 179.394 177.584 0.034 0.000 1.162 493 A CA 1.908 53.943 52.037 -0.003 0.000 0.655 493 A CB -0.504 18.493 19.000 -0.006 0.000 0.805 493 A HN 0.907 nan 8.150 nan 0.000 0.461 494 H N -0.326 118.725 119.070 -0.031 0.000 2.273 494 H HA -0.019 4.538 4.556 0.001 0.000 0.311 494 H C 1.609 176.949 175.328 0.021 0.000 1.057 494 H CA 1.565 57.607 56.048 -0.009 0.000 1.360 494 H CB -0.194 29.557 29.762 -0.020 0.000 1.414 494 H HN 0.330 nan 8.280 nan 0.000 0.516 495 D N 0.669 121.151 120.400 0.137 0.000 2.172 495 D HA -0.224 4.416 4.640 0.001 0.000 0.196 495 D C 2.119 178.438 176.300 0.031 0.000 0.999 495 D CA 1.419 55.487 54.000 0.112 0.000 0.856 495 D CB -0.680 40.234 40.800 0.190 0.000 0.934 495 D HN 0.562 nan 8.370 nan 0.000 0.453 496 A N 0.602 123.431 122.820 0.015 0.000 1.865 496 A HA -0.267 4.054 4.320 0.001 0.000 0.217 496 A C 2.091 179.661 177.584 -0.023 0.000 1.191 496 A CA 1.633 53.672 52.037 0.003 0.000 0.623 496 A CB -0.668 18.332 19.000 -0.001 0.000 0.826 496 A HN 0.231 nan 8.150 nan 0.000 0.444 497 Q N -0.618 119.145 119.800 -0.062 0.000 2.297 497 Q HA -0.044 4.297 4.340 0.001 0.000 0.204 497 Q C 1.972 177.936 176.000 -0.059 0.000 0.962 497 Q CA 1.208 56.973 55.803 -0.063 0.000 0.879 497 Q CB -0.123 28.570 28.738 -0.075 0.000 0.947 497 Q HN 0.541 nan 8.270 nan 0.000 0.462 498 V N 0.534 120.391 119.914 -0.095 0.000 2.719 498 V HA -0.181 3.939 4.120 0.001 0.000 0.252 498 V C 1.991 178.138 176.094 0.090 0.000 1.065 498 V CA 1.060 63.356 62.300 -0.008 0.000 1.086 498 V CB -0.284 31.515 31.823 -0.040 0.000 0.700 498 V HN 0.331 nan 8.190 nan 0.000 0.467 499 I N 0.658 121.257 120.570 0.048 0.000 2.252 499 I HA -0.203 3.967 4.170 0.001 0.000 0.245 499 I C 2.692 178.800 176.117 -0.016 0.000 1.102 499 I CA 1.344 62.657 61.300 0.022 0.000 1.385 499 I CB -0.489 37.520 38.000 0.016 0.000 1.064 499 I HN 0.300 nan 8.210 nan 0.000 0.414 500 A N 0.903 123.715 122.820 -0.012 0.000 1.883 500 A HA -0.224 4.097 4.320 0.001 0.000 0.217 500 A C 2.340 179.906 177.584 -0.030 0.000 1.186 500 A CA 1.539 53.556 52.037 -0.033 0.000 0.624 500 A CB -0.427 18.554 19.000 -0.031 0.000 0.822 500 A HN 0.224 nan 8.150 nan 0.000 0.444 501 K N -0.346 120.080 120.400 0.044 0.000 1.987 501 K HA -0.157 4.164 4.320 0.001 0.000 0.216 501 K C 2.063 178.801 176.600 0.231 0.000 1.051 501 K CA 1.657 58.048 56.287 0.172 0.000 0.942 501 K CB -1.117 31.571 32.500 0.313 0.000 0.722 501 K HN 0.337 nan 8.250 nan 0.000 0.444 502 V N 1.848 121.853 119.914 0.152 0.000 2.231 502 V HA -0.274 3.847 4.120 0.001 0.000 0.248 502 V C 2.337 178.362 176.094 -0.115 0.000 1.054 502 V CA 1.956 64.232 62.300 -0.041 0.000 1.015 502 V CB -0.557 30.989 31.823 -0.463 0.000 0.638 502 V HN 0.414 nan 8.190 nan 0.000 0.444 503 E N -0.558 119.548 120.200 -0.155 0.000 2.147 503 E HA -0.292 4.058 4.350 0.001 0.000 0.199 503 E C 2.462 178.996 176.600 -0.110 0.000 1.005 503 E CA 1.441 57.757 56.400 -0.139 0.000 0.810 503 E CB -0.204 29.427 29.700 -0.114 0.000 0.736 503 E HN 0.359 nan 8.360 nan 0.000 0.460 504 R N -0.409 120.006 120.500 -0.142 0.000 2.200 504 R HA -0.064 4.276 4.340 0.001 0.000 0.208 504 R C 1.340 177.493 176.300 -0.246 0.000 1.033 504 R CA 0.724 56.689 56.100 -0.226 0.000 1.000 504 R CB 0.148 30.242 30.300 -0.343 0.000 0.906 504 R HN 0.310 nan 8.270 nan 0.000 0.462 505 Y N -0.242 120.053 120.300 -0.010 0.000 2.476 505 Y HA 0.043 4.593 4.550 0.001 0.000 0.283 505 Y C 2.035 178.002 175.900 0.112 0.000 1.109 505 Y CA 0.233 58.362 58.100 0.049 0.000 1.246 505 Y CB 0.218 38.744 38.460 0.110 0.000 1.068 505 Y HN -0.057 nan 8.280 nan 0.000 0.552 506 L N 0.121 121.463 121.223 0.198 0.000 2.191 506 L HA -0.204 4.136 4.340 0.001 0.000 0.212 506 L C 1.459 178.410 176.870 0.134 0.000 1.103 506 L CA 1.339 56.294 54.840 0.192 0.000 0.769 506 L CB -0.342 41.741 42.059 0.040 0.000 0.908 506 L HN 0.104 nan 8.230 nan 0.000 0.438 507 K N -0.010 120.414 120.400 0.040 0.000 2.632 507 K HA -0.065 4.255 4.320 0.001 0.000 0.196 507 K C 0.120 176.687 176.600 -0.055 0.000 1.023 507 K CA 0.273 56.551 56.287 -0.015 0.000 1.098 507 K CB 0.002 32.472 32.500 -0.050 0.000 0.862 507 K HN 0.237 nan 8.250 nan 0.000 0.504 508 D N -1.364 118.981 120.400 -0.091 0.000 2.500 508 D HA 0.085 4.725 4.640 0.001 0.000 0.218 508 D C -0.313 175.651 176.300 -0.561 0.000 1.140 508 D CA 0.307 54.113 54.000 -0.323 0.000 0.830 508 D CB 0.464 41.021 40.800 -0.405 0.000 1.055 508 D HN 0.054 nan 8.370 nan 0.000 0.512 509 Y N 0.010 120.327 120.300 0.029 0.000 2.753 509 Y HA 0.352 4.902 4.550 0.001 0.000 0.324 509 Y C 0.300 176.206 175.900 0.010 0.000 1.147 509 Y CA -1.248 56.864 58.100 0.020 0.000 1.173 509 Y CB 0.932 39.404 38.460 0.020 0.000 1.361 509 Y HN -0.366 nan 8.280 nan 0.000 0.545 510 D N 0.551 121.072 120.400 0.202 0.000 2.316 510 D HA 0.076 4.716 4.640 0.001 0.000 0.245 510 D C 0.387 176.739 176.300 0.088 0.000 1.171 510 D CA 0.386 54.449 54.000 0.104 0.000 0.856 510 D CB 1.629 42.477 40.800 0.080 0.000 1.090 510 D HN 0.664 nan 8.370 nan 0.000 0.476 511 T N 0.753 115.345 114.554 0.063 0.000 3.014 511 T HA -0.031 4.319 4.350 0.001 0.000 0.250 511 T C 0.652 175.370 174.700 0.030 0.000 1.060 511 T CA -0.091 62.036 62.100 0.046 0.000 1.040 511 T CB 0.096 68.985 68.868 0.036 0.000 0.971 511 T HN 0.393 nan 8.240 nan 0.000 0.497 512 S N 0.813 116.530 115.700 0.027 0.000 2.670 512 S HA 0.387 4.857 4.470 0.001 0.000 0.308 512 S C 1.396 176.007 174.600 0.018 0.000 1.232 512 S CA 0.251 58.462 58.200 0.019 0.000 1.126 512 S CB -0.391 62.819 63.200 0.017 0.000 0.897 512 S HN 1.041 nan 8.310 nan 0.000 0.508 513 G N 2.152 110.961 108.800 0.016 0.000 2.141 513 G HA2 -0.168 3.793 3.960 0.001 0.000 0.242 513 G HA3 -0.168 3.793 3.960 0.001 0.000 0.242 513 G C -0.212 174.698 174.900 0.017 0.000 0.982 513 G CA 0.042 45.152 45.100 0.015 0.000 0.662 513 G HN 0.666 nan 8.290 nan 0.000 0.527 514 L N 0.747 121.982 121.223 0.020 0.000 2.346 514 L HA 0.500 4.840 4.340 0.001 0.000 0.276 514 L C -0.589 176.297 176.870 0.027 0.000 1.006 514 L CA -0.604 54.250 54.840 0.022 0.000 0.817 514 L CB 1.665 43.737 42.059 0.022 0.000 1.272 514 L HN -0.046 nan 8.230 nan 0.000 0.421 515 D N 3.537 123.958 120.400 0.036 0.000 2.896 515 D HA 0.298 4.939 4.640 0.001 0.000 0.240 515 D C 0.420 176.746 176.300 0.043 0.000 1.193 515 D CA 0.184 54.210 54.000 0.044 0.000 0.983 515 D CB 0.158 41.002 40.800 0.074 0.000 1.074 515 D HN 0.289 nan 8.370 nan 0.000 0.496 516 I N 1.840 122.431 120.570 0.035 0.000 2.371 516 I HA 0.312 4.482 4.170 0.001 0.000 0.290 516 I C 0.775 176.906 176.117 0.024 0.000 1.028 516 I CA -0.446 60.887 61.300 0.055 0.000 1.345 516 I CB 0.689 38.731 38.000 0.071 0.000 1.407 516 I HN 0.004 nan 8.210 nan 0.000 0.501 517 R N 6.243 126.761 120.500 0.029 0.000 2.710 517 R HA 0.665 5.005 4.340 0.001 0.000 0.270 517 R C -1.963 174.350 176.300 0.021 0.000 1.021 517 R CA -0.878 55.202 56.100 -0.034 0.000 0.889 517 R CB 1.683 31.898 30.300 -0.142 0.000 1.243 517 R HN 0.473 nan 8.270 nan 0.000 0.464 518 I N 3.023 123.584 120.570 -0.014 0.000 2.377 518 I HA 0.454 4.625 4.170 0.001 0.000 0.293 518 I C -0.278 175.835 176.117 -0.008 0.000 0.987 518 I CA -0.891 60.435 61.300 0.043 0.000 1.185 518 I CB 1.511 39.505 38.000 -0.010 0.000 1.341 518 I HN 0.369 nan 8.210 nan 0.000 0.455 519 L N 3.737 124.968 121.223 0.014 0.000 2.403 519 L HA 0.482 4.822 4.340 0.001 0.000 0.253 519 L C -0.059 176.808 176.870 -0.005 0.000 1.045 519 L CA -0.884 53.926 54.840 -0.050 0.000 0.845 519 L CB 2.434 44.394 42.059 -0.165 0.000 1.447 519 L HN 0.598 nan 8.230 nan 0.000 0.411 520 S N -0.828 114.859 115.700 -0.022 0.000 2.565 520 S HA 0.250 4.721 4.470 0.001 0.000 0.276 520 S C -2.144 172.425 174.600 -0.051 0.000 1.326 520 S CA -1.068 57.150 58.200 0.029 0.000 1.045 520 S CB 1.141 64.365 63.200 0.039 0.000 0.918 520 S HN 0.398 nan 8.310 nan 0.000 0.505 521 P HA -0.144 nan 4.420 nan 0.000 0.218 521 P C 1.322 178.541 177.300 -0.136 0.000 1.146 521 P CA 0.773 63.913 63.100 0.067 0.000 0.820 521 P CB -0.169 31.770 31.700 0.399 0.000 0.778 522 V N -0.274 119.612 119.914 -0.047 0.000 2.255 522 V HA -0.208 3.912 4.120 0.001 0.000 0.243 522 V C 2.252 178.285 176.094 -0.101 0.000 1.038 522 V CA 1.731 64.003 62.300 -0.046 0.000 1.008 522 V CB -1.323 30.501 31.823 0.002 0.000 0.645 522 V HN 0.119 nan 8.190 nan 0.000 0.449 523 E N 0.662 120.801 120.200 -0.101 0.000 2.077 523 E HA -0.193 4.157 4.350 0.001 0.000 0.193 523 E C 2.351 178.850 176.600 -0.168 0.000 0.989 523 E CA 1.340 57.683 56.400 -0.095 0.000 0.800 523 E CB -0.381 29.270 29.700 -0.081 0.000 0.746 523 E HN 0.572 nan 8.360 nan 0.000 0.452 524 A N 0.806 123.401 122.820 -0.375 0.000 1.908 524 A HA -0.200 4.120 4.320 0.001 0.000 0.218 524 A C 2.359 179.556 177.584 -0.645 0.000 1.181 524 A CA 1.991 53.621 52.037 -0.677 0.000 0.627 524 A CB -0.871 17.225 19.000 -1.505 0.000 0.818 524 A HN 0.192 nan 8.150 nan 0.000 0.445 525 T N -0.588 113.600 114.554 -0.610 0.000 2.915 525 T HA -0.084 4.266 4.350 0.001 0.000 0.269 525 T C 2.017 176.711 174.700 -0.010 0.000 1.071 525 T CA 1.372 63.351 62.100 -0.202 0.000 1.132 525 T CB -0.164 68.691 68.868 -0.022 0.000 0.878 525 T HN 0.518 nan 8.240 nan 0.000 0.479 526 R N 0.162 120.642 120.500 -0.033 0.000 2.055 526 R HA 0.075 4.416 4.340 0.001 0.000 0.228 526 R C 2.181 178.504 176.300 0.038 0.000 1.143 526 R CA 1.187 57.300 56.100 0.021 0.000 0.945 526 R CB -0.667 29.647 30.300 0.023 0.000 0.841 526 R HN 0.336 nan 8.270 nan 0.000 0.429 527 F N 1.900 121.793 119.950 -0.096 0.000 2.192 527 F HA -0.253 4.274 4.527 0.001 0.000 0.301 527 F C 2.055 177.816 175.800 -0.065 0.000 1.079 527 F CA 1.499 59.451 58.000 -0.079 0.000 1.303 527 F CB -0.050 38.892 39.000 -0.097 0.000 1.024 527 F HN -0.103 nan 8.300 nan 0.000 0.494 528 S N 0.718 116.396 115.700 -0.037 0.000 2.336 528 S HA -0.055 4.416 4.470 0.001 0.000 0.216 528 S C 2.011 176.540 174.600 -0.119 0.000 1.032 528 S CA 1.185 59.323 58.200 -0.102 0.000 0.973 528 S CB -0.615 62.616 63.200 0.052 0.000 0.888 528 S HN 0.367 nan 8.310 nan 0.000 0.455 529 L N 1.401 122.639 121.223 0.024 0.000 2.351 529 L HA -0.174 4.166 4.340 0.001 0.000 0.220 529 L C 2.512 179.360 176.870 -0.036 0.000 1.127 529 L CA 0.814 55.707 54.840 0.088 0.000 0.786 529 L CB -0.817 41.350 42.059 0.180 0.000 0.914 529 L HN 0.304 nan 8.230 nan 0.000 0.443 530 A N 0.721 123.468 122.820 -0.122 0.000 1.823 530 A HA -0.165 4.155 4.320 0.001 0.000 0.214 530 A C 2.343 179.804 177.584 -0.205 0.000 1.225 530 A CA 1.193 53.125 52.037 -0.175 0.000 0.604 530 A CB -0.533 18.345 19.000 -0.203 0.000 0.878 530 A HN 0.259 nan 8.150 nan 0.000 0.450 531 R N -0.624 119.690 120.500 -0.310 0.000 2.133 531 R HA -0.169 4.171 4.340 0.001 0.000 0.247 531 R C 2.075 178.266 176.300 -0.181 0.000 1.151 531 R CA 1.630 57.561 56.100 -0.282 0.000 0.971 531 R CB -0.713 29.350 30.300 -0.395 0.000 0.866 531 R HN 0.678 nan 8.270 nan 0.000 0.447 532 I N 0.884 121.359 120.570 -0.159 0.000 2.113 532 I HA -0.333 3.838 4.170 0.001 0.000 0.238 532 I C 2.327 178.425 176.117 -0.030 0.000 1.070 532 I CA 1.561 62.804 61.300 -0.096 0.000 1.332 532 I CB -0.017 37.936 38.000 -0.078 0.000 1.044 532 I HN 0.134 nan 8.210 nan 0.000 0.402 533 R N 0.531 121.024 120.500 -0.013 0.000 2.096 533 R HA -0.209 4.132 4.340 0.001 0.000 0.235 533 R C 1.964 178.236 176.300 -0.048 0.000 1.127 533 R CA 1.791 57.882 56.100 -0.015 0.000 0.968 533 R CB -0.416 29.829 30.300 -0.092 0.000 0.861 533 R HN 0.637 nan 8.270 nan 0.000 0.440 534 E N -0.243 119.910 120.200 -0.078 0.000 2.478 534 E HA -0.008 4.342 4.350 0.001 0.000 0.198 534 E C 0.675 177.244 176.600 -0.052 0.000 1.046 534 E CA 0.632 56.992 56.400 -0.068 0.000 0.870 534 E CB 0.258 29.909 29.700 -0.082 0.000 0.818 534 E HN 0.352 nan 8.360 nan 0.000 0.527 535 G N 1.188 109.957 108.800 -0.050 0.000 2.141 535 G HA2 -0.172 3.789 3.960 0.001 0.000 0.195 535 G HA3 -0.172 3.789 3.960 0.001 0.000 0.195 535 G C -0.345 174.522 174.900 -0.055 0.000 1.012 535 G CA -0.143 44.932 45.100 -0.041 0.000 0.696 535 G HN 0.065 nan 8.290 nan 0.000 0.508 536 K N 0.862 121.213 120.400 -0.081 0.000 2.207 536 K HA 0.591 4.912 4.320 0.001 0.000 0.255 536 K C -0.176 176.360 176.600 -0.107 0.000 0.941 536 K CA -0.943 55.291 56.287 -0.089 0.000 0.825 536 K CB 1.517 33.955 32.500 -0.104 0.000 1.119 536 K HN 0.119 nan 8.250 nan 0.000 0.430 537 D N 0.513 120.862 120.400 -0.085 0.000 2.377 537 D HA 0.280 4.920 4.640 0.001 0.000 0.245 537 D C -0.179 176.070 176.300 -0.086 0.000 1.196 537 D CA 0.383 54.330 54.000 -0.089 0.000 0.962 537 D CB 0.977 41.741 40.800 -0.060 0.000 1.127 537 D HN 0.438 nan 8.370 nan 0.000 0.471 538 T N 0.036 114.544 114.554 -0.076 0.000 4.307 538 T HA 0.207 4.557 4.350 0.001 0.000 0.339 538 T C -0.570 174.133 174.700 0.005 0.000 0.801 538 T CA -0.626 61.466 62.100 -0.014 0.000 0.962 538 T CB -0.580 68.279 68.868 -0.016 0.000 1.110 538 T HN 0.256 nan 8.240 nan 0.000 0.466 539 I N 3.753 124.330 120.570 0.011 0.000 2.821 539 I HA 0.099 4.269 4.170 0.001 0.000 0.294 539 I C 0.949 177.080 176.117 0.024 0.000 1.210 539 I CA 0.390 61.682 61.300 -0.014 0.000 1.430 539 I CB 0.831 38.807 38.000 -0.040 0.000 1.356 539 I HN 0.583 nan 8.210 nan 0.000 0.563 540 S N 6.876 122.564 115.700 -0.020 0.000 2.434 540 S HA 0.341 4.812 4.470 0.001 0.000 0.318 540 S C -0.468 174.015 174.600 -0.196 0.000 1.062 540 S CA -0.708 57.476 58.200 -0.026 0.000 1.116 540 S CB 0.303 63.427 63.200 -0.128 0.000 0.977 540 S HN 0.342 nan 8.310 nan 0.000 0.480 541 V N 6.499 126.279 119.914 -0.222 0.000 2.334 541 V HA 0.493 4.613 4.120 0.001 0.000 0.267 541 V C 0.725 176.704 176.094 -0.192 0.000 1.040 541 V CA -0.181 61.868 62.300 -0.418 0.000 0.866 541 V CB 0.428 31.569 31.823 -1.136 0.000 1.019 541 V HN 0.991 nan 8.190 nan 0.000 0.468 542 T N 1.849 116.380 114.554 -0.039 0.000 2.804 542 T HA 0.754 5.105 4.350 0.001 0.000 0.290 542 T C 0.520 175.243 174.700 0.039 0.000 1.099 542 T CA -0.070 62.042 62.100 0.019 0.000 1.011 542 T CB 1.622 70.264 68.868 -0.377 0.000 1.291 542 T HN 0.676 nan 8.240 nan 0.000 0.523 543 G N 0.316 109.076 108.800 -0.067 0.000 2.466 543 G HA2 0.126 4.087 3.960 0.001 0.000 0.279 543 G HA3 0.126 4.087 3.960 0.001 0.000 0.279 543 G C 0.745 175.436 174.900 -0.349 0.000 1.410 543 G CA -0.098 44.852 45.100 -0.251 0.000 1.065 543 G HN 0.781 nan 8.290 nan 0.000 0.547 544 N N -1.598 116.873 118.700 -0.383 0.000 2.251 544 N HA -0.091 4.649 4.740 0.001 0.000 0.181 544 N C 2.395 177.616 175.510 -0.481 0.000 1.019 544 N CA 1.010 53.776 53.050 -0.475 0.000 0.862 544 N CB -0.170 38.013 38.487 -0.507 0.000 0.992 544 N HN 0.162 nan 8.380 nan 0.000 0.429 545 V N 1.631 121.286 119.914 -0.432 0.000 2.307 545 V HA -0.131 3.990 4.120 0.001 0.000 0.245 545 V C 2.538 178.100 176.094 -0.887 0.000 1.045 545 V CA 1.050 62.994 62.300 -0.594 0.000 1.024 545 V CB -0.486 30.838 31.823 -0.832 0.000 0.651 545 V HN 0.244 nan 8.190 nan 0.000 0.449 546 L N -0.189 120.523 121.223 -0.851 0.000 2.083 546 L HA -0.200 4.141 4.340 0.001 0.000 0.209 546 L C 2.756 179.356 176.870 -0.451 0.000 1.083 546 L CA 1.775 56.208 54.840 -0.677 0.000 0.752 546 L CB -0.658 41.102 42.059 -0.498 0.000 0.899 546 L HN 0.310 nan 8.230 nan 0.000 0.433 547 R N 0.325 120.585 120.500 -0.399 0.000 2.134 547 R HA -0.286 4.054 4.340 0.001 0.000 0.248 547 R C 1.886 178.059 176.300 -0.213 0.000 1.143 547 R CA 2.554 58.474 56.100 -0.300 0.000 0.957 547 R CB -0.311 29.803 30.300 -0.310 0.000 0.867 547 R HN 0.382 nan 8.270 nan 0.000 0.441 548 D N -0.811 119.480 120.400 -0.182 0.000 2.092 548 D HA -0.155 4.486 4.640 0.001 0.000 0.203 548 D C 1.817 178.168 176.300 0.086 0.000 0.978 548 D CA 1.733 55.723 54.000 -0.017 0.000 0.861 548 D CB -0.622 40.239 40.800 0.102 0.000 1.005 548 D HN 0.372 nan 8.370 nan 0.000 0.450 549 Y N 0.336 120.567 120.300 -0.115 0.000 2.100 549 Y HA -0.341 4.210 4.550 0.001 0.000 0.267 549 Y C 2.537 178.363 175.900 -0.123 0.000 1.250 549 Y CA 0.982 59.032 58.100 -0.083 0.000 1.105 549 Y CB -0.348 38.016 38.460 -0.161 0.000 0.924 549 Y HN 0.100 nan 8.280 nan 0.000 0.508 550 L N -0.519 120.686 121.223 -0.030 0.000 2.027 550 L HA -0.178 4.162 4.340 0.001 0.000 0.206 550 L C 2.639 179.502 176.870 -0.012 0.000 1.074 550 L CA 1.769 56.560 54.840 -0.082 0.000 0.745 550 L CB -1.249 40.715 42.059 -0.159 0.000 0.898 550 L HN 0.336 nan 8.230 nan 0.000 0.433 551 T N -4.106 110.431 114.554 -0.028 0.000 2.946 551 T HA -0.216 4.135 4.350 0.001 0.000 0.271 551 T C 1.511 176.207 174.700 -0.007 0.000 1.104 551 T CA 1.409 63.500 62.100 -0.014 0.000 1.114 551 T CB -0.244 68.599 68.868 -0.041 0.000 0.867 551 T HN 0.302 nan 8.240 nan 0.000 0.513 552 D N -0.041 120.357 120.400 -0.002 0.000 2.262 552 D HA 0.108 4.748 4.640 0.001 0.000 0.212 552 D C 1.762 178.046 176.300 -0.028 0.000 0.964 552 D CA 0.177 54.173 54.000 -0.007 0.000 0.875 552 D CB 0.158 40.967 40.800 0.015 0.000 0.996 552 D HN 0.305 nan 8.370 nan 0.000 0.497 553 L N 0.303 121.495 121.223 -0.053 0.000 1.909 553 L HA -0.032 4.308 4.340 0.001 0.000 0.216 553 L C 2.180 178.949 176.870 -0.167 0.000 1.097 553 L CA 1.538 56.292 54.840 -0.144 0.000 0.777 553 L CB -1.355 40.532 42.059 -0.288 0.000 0.887 553 L HN -0.069 nan 8.230 nan 0.000 0.432 554 F N 0.073 119.987 119.950 -0.059 0.000 2.063 554 F HA -0.277 4.250 4.527 0.001 0.000 0.298 554 F C -0.082 175.651 175.800 -0.112 0.000 1.105 554 F CA 2.319 60.247 58.000 -0.119 0.000 1.215 554 F CB -2.093 36.849 39.000 -0.096 0.000 0.972 554 F HN 0.254 nan 8.300 nan 0.000 0.483 555 P HA -0.216 nan 4.420 nan 0.000 0.216 555 P C 1.734 179.016 177.300 -0.030 0.000 1.153 555 P CA 1.643 64.755 63.100 0.019 0.000 0.858 555 P CB -0.110 31.588 31.700 -0.003 0.000 0.789 556 I N -1.798 118.747 120.570 -0.041 0.000 2.127 556 I HA -0.276 3.895 4.170 0.001 0.000 0.241 556 I C 2.258 178.351 176.117 -0.040 0.000 1.075 556 I CA 1.486 62.749 61.300 -0.062 0.000 1.334 556 I CB -0.570 37.408 38.000 -0.036 0.000 1.040 556 I HN -0.052 nan 8.210 nan 0.000 0.405 557 M N 0.427 120.022 119.600 -0.009 0.000 2.106 557 M HA -0.238 4.242 4.480 0.001 0.000 0.259 557 M C 2.166 178.581 176.300 0.193 0.000 1.068 557 M CA 1.980 57.306 55.300 0.043 0.000 1.100 557 M CB -1.356 31.091 32.600 -0.255 0.000 1.351 557 M HN 0.435 nan 8.290 nan 0.000 0.404 558 E N -0.094 120.161 120.200 0.093 0.000 2.190 558 E HA -0.009 4.342 4.350 0.001 0.000 0.191 558 E C 1.663 178.369 176.600 0.176 0.000 0.978 558 E CA 0.585 57.082 56.400 0.162 0.000 0.839 558 E CB -0.132 29.609 29.700 0.067 0.000 0.787 558 E HN 0.477 nan 8.360 nan 0.000 0.473 559 L N -0.264 120.917 121.223 -0.070 0.000 2.766 559 L HA 0.448 4.788 4.340 0.001 0.000 0.242 559 L C 1.500 178.063 176.870 -0.512 0.000 1.136 559 L CA 0.183 54.930 54.840 -0.154 0.000 0.933 559 L CB 0.846 42.871 42.059 -0.057 0.000 1.241 559 L HN 0.425 nan 8.230 nan 0.000 0.522 560 G N 0.476 108.761 108.800 -0.857 0.000 2.550 560 G HA2 -0.285 3.675 3.960 0.001 0.000 0.233 560 G HA3 -0.285 3.675 3.960 0.001 0.000 0.233 560 G C 0.424 175.167 174.900 -0.260 0.000 1.170 560 G CA 0.483 45.153 45.100 -0.717 0.000 0.693 560 G HN 0.301 nan 8.290 nan 0.000 0.512 561 T N 0.140 114.569 114.554 -0.209 0.000 2.900 561 T HA 0.600 4.950 4.350 0.001 0.000 0.295 561 T C 1.184 175.809 174.700 -0.126 0.000 1.044 561 T CA 0.430 62.443 62.100 -0.145 0.000 0.995 561 T CB 1.808 70.580 68.868 -0.160 0.000 1.072 561 T HN 0.798 nan 8.240 nan 0.000 0.473 562 S N 1.196 116.832 115.700 -0.106 0.000 2.446 562 S HA 0.043 4.514 4.470 0.001 0.000 0.225 562 S C 2.333 176.869 174.600 -0.106 0.000 1.016 562 S CA 0.440 58.591 58.200 -0.082 0.000 0.943 562 S CB -0.454 62.712 63.200 -0.056 0.000 0.786 562 S HN 0.785 nan 8.310 nan 0.000 0.508 563 A N 2.096 124.820 122.820 -0.160 0.000 2.024 563 A HA -0.030 4.290 4.320 0.001 0.000 0.220 563 A C 1.967 179.427 177.584 -0.206 0.000 1.164 563 A CA 1.407 53.311 52.037 -0.222 0.000 0.643 563 A CB -0.620 18.129 19.000 -0.419 0.000 0.806 563 A HN 0.502 nan 8.150 nan 0.000 0.451 564 K N -0.043 120.249 120.400 -0.180 0.000 2.706 564 K HA 0.124 4.444 4.320 0.001 0.000 0.217 564 K C 0.348 176.890 176.600 -0.097 0.000 1.019 564 K CA 0.041 56.237 56.287 -0.151 0.000 1.181 564 K CB -0.484 31.940 32.500 -0.126 0.000 0.940 564 K HN 0.805 nan 8.250 nan 0.000 0.491 565 M N -2.173 117.376 119.600 -0.084 0.000 2.744 565 M HA 0.376 4.857 4.480 0.001 0.000 0.283 565 M C -1.380 174.898 176.300 -0.036 0.000 1.275 565 M CA -1.106 54.164 55.300 -0.051 0.000 0.796 565 M CB 1.221 33.798 32.600 -0.039 0.000 1.739 565 M HN -0.166 nan 8.290 nan 0.000 0.454 566 L N 1.462 122.674 121.223 -0.019 0.000 2.292 566 L HA 0.549 4.889 4.340 0.001 0.000 0.284 566 L C -0.704 176.163 176.870 -0.005 0.000 1.065 566 L CA -0.049 54.791 54.840 0.000 0.000 0.806 566 L CB 1.534 43.599 42.059 0.011 0.000 1.175 566 L HN 0.892 nan 8.230 nan 0.000 0.431 567 S N 6.079 121.782 115.700 0.006 0.000 2.652 567 S HA 0.529 4.999 4.470 0.001 0.000 0.252 567 S C -0.771 173.816 174.600 -0.023 0.000 1.219 567 S CA -0.589 57.600 58.200 -0.019 0.000 1.151 567 S CB 0.329 63.511 63.200 -0.030 0.000 1.080 567 S HN 0.507 nan 8.310 nan 0.000 0.481 568 I N 4.092 124.634 120.570 -0.047 0.000 2.377 568 I HA 0.474 4.644 4.170 0.001 0.000 0.293 568 I C -0.601 175.399 176.117 -0.195 0.000 0.987 568 I CA -0.923 60.302 61.300 -0.125 0.000 1.185 568 I CB 2.050 40.018 38.000 -0.053 0.000 1.341 568 I HN 0.261 nan 8.210 nan 0.000 0.455 569 V N 8.197 127.918 119.914 -0.321 0.000 2.304 569 V HA 0.268 4.388 4.120 0.001 0.000 0.278 569 V C -2.344 173.565 176.094 -0.309 0.000 1.018 569 V CA -1.672 60.471 62.300 -0.262 0.000 0.814 569 V CB 1.241 32.926 31.823 -0.230 0.000 1.021 569 V HN 0.559 nan 8.190 nan 0.000 0.440 570 P HA 0.219 nan 4.420 nan 0.000 0.271 570 P C -0.010 177.221 177.300 -0.115 0.000 1.380 570 P CA -0.076 62.933 63.100 -0.151 0.000 0.992 570 P CB 0.226 31.881 31.700 -0.075 0.000 1.230 571 L N 3.174 124.317 121.223 -0.133 0.000 2.525 571 L HA 0.068 4.409 4.340 0.001 0.000 0.278 571 L C 1.425 178.275 176.870 -0.033 0.000 1.218 571 L CA 0.304 55.095 54.840 -0.082 0.000 0.878 571 L CB 0.059 42.072 42.059 -0.076 0.000 1.127 571 L HN 0.323 nan 8.230 nan 0.000 0.492 572 M N 3.959 123.543 119.600 -0.027 0.000 3.759 572 M HA 0.032 4.512 4.480 0.001 0.000 0.190 572 M C -0.207 176.096 176.300 0.004 0.000 1.478 572 M CA 0.360 55.656 55.300 -0.008 0.000 1.691 572 M CB -0.665 31.928 32.600 -0.012 0.000 1.113 572 M HN 0.693 nan 8.290 nan 0.000 0.542 573 S N -2.329 113.380 115.700 0.015 0.000 3.255 573 S HA 0.214 4.684 4.470 0.001 0.000 0.125 573 S C 0.476 175.105 174.600 0.048 0.000 0.855 573 S CA -0.514 57.702 58.200 0.026 0.000 0.833 573 S CB -0.810 62.402 63.200 0.020 0.000 1.449 573 S HN 0.818 nan 8.310 nan 0.000 0.640 574 G N 0.595 109.432 108.800 0.061 0.000 2.393 574 G HA2 -0.122 3.839 3.960 0.001 0.000 0.304 574 G HA3 -0.122 3.839 3.960 0.001 0.000 0.304 574 G C 0.786 175.795 174.900 0.182 0.000 0.977 574 G CA 0.785 45.951 45.100 0.111 0.000 0.803 574 G HN 1.513 nan 8.290 nan 0.000 0.511 575 G N -1.360 107.503 108.800 0.106 0.000 2.532 575 G HA2 0.735 4.695 3.960 0.001 0.000 0.291 575 G HA3 0.735 4.695 3.960 0.001 0.000 0.291 575 G C 0.243 175.089 174.900 -0.090 0.000 1.349 575 G CA -0.191 44.958 45.100 0.081 0.000 1.038 575 G HN 1.311 nan 8.290 nan 0.000 0.518 576 G N -0.947 107.717 108.800 -0.226 0.000 2.704 576 G HA2 0.477 4.437 3.960 0.001 0.000 0.279 576 G HA3 0.477 4.437 3.960 0.001 0.000 0.279 576 G C -1.592 172.971 174.900 -0.561 0.000 1.510 576 G CA -0.380 44.367 45.100 -0.588 0.000 1.144 576 G HN 0.547 nan 8.290 nan 0.000 0.564 577 L N 2.859 123.694 121.223 -0.648 0.000 2.262 577 L HA 0.691 5.031 4.340 0.001 0.000 0.288 577 L C -1.186 175.316 176.870 -0.614 0.000 1.035 577 L CA -1.137 53.454 54.840 -0.415 0.000 0.820 577 L CB 0.149 42.057 42.059 -0.251 0.000 1.204 577 L HN 0.361 nan 8.230 nan 0.000 0.424 578 F N 3.748 123.653 119.950 -0.076 0.000 2.291 578 F HA 0.388 4.916 4.527 0.001 0.000 0.368 578 F C 0.760 176.530 175.800 -0.050 0.000 1.085 578 F CA -0.623 57.343 58.000 -0.057 0.000 1.165 578 F CB 0.402 39.379 39.000 -0.039 0.000 1.429 578 F HN 0.449 nan 8.300 nan 0.000 0.503 579 E N 1.153 121.368 120.200 0.026 0.000 2.383 579 E HA 0.083 4.433 4.350 0.001 0.000 0.264 579 E C 0.718 177.340 176.600 0.037 0.000 1.050 579 E CA -0.094 56.311 56.400 0.010 0.000 0.896 579 E CB 1.156 30.840 29.700 -0.026 0.000 0.982 579 E HN 0.511 nan 8.360 nan 0.000 0.424 580 T N 1.115 115.683 114.554 0.024 0.000 2.590 580 T HA 0.009 4.359 4.350 0.001 0.000 0.257 580 T C 0.653 175.354 174.700 0.002 0.000 1.080 580 T CA 1.163 63.281 62.100 0.030 0.000 1.180 580 T CB -0.022 68.882 68.868 0.061 0.000 0.865 580 T HN 0.639 nan 8.240 nan 0.000 0.403 581 G N -1.345 107.453 108.800 -0.003 0.000 2.725 581 G HA2 0.576 4.537 3.960 0.001 0.000 0.288 581 G HA3 0.576 4.537 3.960 0.001 0.000 0.288 581 G C 0.185 175.069 174.900 -0.026 0.000 1.399 581 G CA -0.051 45.024 45.100 -0.040 0.000 0.859 581 G HN 0.296 nan 8.290 nan 0.000 0.479 582 A N -0.737 122.060 122.820 -0.039 0.000 2.252 582 A HA 0.532 4.852 4.320 0.001 0.000 0.207 582 A C 1.272 178.848 177.584 -0.015 0.000 1.194 582 A CA 1.080 53.102 52.037 -0.027 0.000 0.809 582 A CB -0.667 18.314 19.000 -0.032 0.000 0.814 582 A HN 1.176 nan 8.150 nan 0.000 0.482 583 G N -1.789 107.001 108.800 -0.017 0.000 2.753 583 G HA2 0.556 4.516 3.960 0.001 0.000 0.285 583 G HA3 0.556 4.516 3.960 0.001 0.000 0.285 583 G C 0.193 175.133 174.900 0.068 0.000 1.344 583 G CA -0.121 44.980 45.100 0.002 0.000 1.050 583 G HN 0.581 nan 8.290 nan 0.000 0.532 584 G N -1.105 107.758 108.800 0.104 0.000 3.175 584 G HA2 0.541 4.501 3.960 0.001 0.000 0.255 584 G HA3 0.541 4.501 3.960 0.001 0.000 0.255 584 G C 0.221 175.281 174.900 0.268 0.000 1.352 584 G CA 0.152 45.337 45.100 0.141 0.000 1.037 584 G HN 0.948 nan 8.290 nan 0.000 0.556 585 S N -1.025 114.768 115.700 0.154 0.000 2.606 585 S HA 0.477 4.948 4.470 0.001 0.000 0.257 585 S C 0.231 174.943 174.600 0.187 0.000 1.327 585 S CA 0.273 58.518 58.200 0.075 0.000 0.984 585 S CB 1.242 64.415 63.200 -0.044 0.000 0.941 585 S HN 1.500 nan 8.310 nan 0.000 0.576 586 A N 1.095 123.997 122.820 0.138 0.000 2.978 586 A HA 0.611 4.932 4.320 0.001 0.000 0.341 586 A C -2.009 175.604 177.584 0.047 0.000 1.105 586 A CA -1.642 50.422 52.037 0.045 0.000 0.819 586 A CB 0.196 19.096 19.000 -0.167 0.000 1.080 586 A HN 0.507 nan 8.150 nan 0.000 0.476 587 P HA -0.303 nan 4.420 nan 0.000 0.221 587 P C 1.376 178.759 177.300 0.138 0.000 1.160 587 P CA 1.955 65.133 63.100 0.129 0.000 0.933 587 P CB 0.155 31.915 31.700 0.100 0.000 0.793 588 K N -1.859 118.595 120.400 0.091 0.000 2.160 588 K HA -0.204 4.116 4.320 0.001 0.000 0.206 588 K C 2.103 178.854 176.600 0.251 0.000 1.047 588 K CA 1.351 57.712 56.287 0.123 0.000 0.930 588 K CB -0.647 31.907 32.500 0.089 0.000 0.720 588 K HN 0.468 nan 8.250 nan 0.000 0.450 589 H N -0.572 118.595 119.070 0.161 0.000 2.491 589 H HA -0.060 4.496 4.556 0.001 0.000 0.290 589 H C 1.867 177.299 175.328 0.175 0.000 1.050 589 H CA 0.590 56.752 56.048 0.190 0.000 1.309 589 H CB 0.362 30.275 29.762 0.252 0.000 1.392 589 H HN -0.030 nan 8.280 nan 0.000 0.554 590 V N 0.521 120.606 119.914 0.286 0.000 2.599 590 V HA -0.160 3.961 4.120 0.001 0.000 0.245 590 V C 2.039 178.294 176.094 0.268 0.000 1.046 590 V CA 1.076 63.537 62.300 0.268 0.000 1.065 590 V CB -0.173 31.825 31.823 0.291 0.000 0.703 590 V HN 0.418 nan 8.190 nan 0.000 0.464 591 Q N 0.143 120.063 119.800 0.200 0.000 2.096 591 Q HA -0.322 4.019 4.340 0.001 0.000 0.204 591 Q C 2.291 178.367 176.000 0.127 0.000 0.982 591 Q CA 2.156 58.029 55.803 0.117 0.000 0.850 591 Q CB -0.242 28.538 28.738 0.069 0.000 0.901 591 Q HN 0.677 nan 8.270 nan 0.000 0.422 592 Q N -0.001 119.905 119.800 0.177 0.000 2.079 592 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 592 Q C 1.886 178.016 176.000 0.218 0.000 0.974 592 Q CA 0.971 56.879 55.803 0.175 0.000 0.840 592 Q CB -0.079 28.784 28.738 0.209 0.000 0.898 592 Q HN 0.336 nan 8.270 nan 0.000 0.430 593 F N 1.048 121.059 119.950 0.102 0.000 2.126 593 F HA -0.135 4.392 4.527 0.001 0.000 0.299 593 F C 1.505 177.335 175.800 0.049 0.000 1.096 593 F CA 1.216 59.261 58.000 0.074 0.000 1.255 593 F CB -0.060 38.969 39.000 0.048 0.000 0.997 593 F HN 0.063 nan 8.300 nan 0.000 0.479 594 L N -0.444 120.808 121.223 0.050 0.000 2.610 594 L HA -0.026 4.315 4.340 0.001 0.000 0.232 594 L C 1.518 178.340 176.870 -0.081 0.000 1.149 594 L CA 0.625 55.422 54.840 -0.072 0.000 0.872 594 L CB -0.410 41.670 42.059 0.036 0.000 0.992 594 L HN 0.268 nan 8.230 nan 0.000 0.447 595 E N -0.655 119.514 120.200 -0.050 0.000 2.629 595 E HA 0.003 4.353 4.350 0.001 0.000 0.197 595 E C 1.370 177.944 176.600 -0.043 0.000 0.955 595 E CA 0.074 56.450 56.400 -0.040 0.000 1.191 595 E CB 0.306 30.000 29.700 -0.010 0.000 1.175 595 E HN 0.359 nan 8.360 nan 0.000 0.501 596 E N 0.078 120.275 120.200 -0.005 0.000 2.340 596 E HA 0.083 4.433 4.350 0.001 0.000 0.194 596 E C 0.555 177.164 176.600 0.016 0.000 0.996 596 E CA 0.453 56.865 56.400 0.019 0.000 0.869 596 E CB 0.800 30.539 29.700 0.065 0.000 0.835 596 E HN 0.349 nan 8.360 nan 0.000 0.493 597 G N 1.286 110.056 108.800 -0.049 0.000 2.142 597 G HA2 -0.292 3.668 3.960 0.001 0.000 0.225 597 G HA3 -0.292 3.668 3.960 0.001 0.000 0.225 597 G C -0.646 174.373 174.900 0.199 0.000 1.015 597 G CA 0.170 45.181 45.100 -0.147 0.000 0.716 597 G HN 0.283 nan 8.290 nan 0.000 0.508 598 Y N -0.766 119.655 120.300 0.203 0.000 2.409 598 Y HA 0.701 5.252 4.550 0.001 0.000 0.343 598 Y C -0.608 175.465 175.900 0.288 0.000 0.973 598 Y CA -1.699 56.535 58.100 0.224 0.000 1.064 598 Y CB 1.803 40.327 38.460 0.106 0.000 1.207 598 Y HN 0.314 nan 8.280 nan 0.000 0.452 599 L N 7.529 128.658 121.223 -0.156 0.000 2.388 599 L HA 0.474 4.814 4.340 0.001 0.000 0.267 599 L C 0.343 177.072 176.870 -0.235 0.000 0.995 599 L CA -0.288 54.479 54.840 -0.122 0.000 0.864 599 L CB 0.753 42.642 42.059 -0.284 0.000 1.216 599 L HN 0.784 nan 8.230 nan 0.000 0.430 600 R N 2.950 123.405 120.500 -0.076 0.000 2.310 600 R HA 0.017 4.358 4.340 0.001 0.000 0.202 600 R C 0.295 176.437 176.300 -0.265 0.000 0.933 600 R CA -0.462 55.599 56.100 -0.064 0.000 1.054 600 R CB -0.095 30.264 30.300 0.098 0.000 0.985 600 R HN 0.637 nan 8.270 nan 0.000 0.489 601 W N 3.729 124.729 121.300 -0.500 0.000 2.347 601 W HA -0.006 4.654 4.660 0.001 0.000 0.333 601 W C -0.925 175.512 176.519 -0.136 0.000 1.383 601 W CA 0.191 57.408 57.345 -0.213 0.000 1.283 601 W CB 0.370 29.810 29.460 -0.034 0.000 1.253 601 W HN 0.062 nan 8.180 nan 0.000 0.563 602 D N 3.899 123.948 120.400 -0.585 0.000 2.277 602 D HA 0.096 4.737 4.640 0.001 0.000 0.249 602 D C 0.142 176.054 176.300 -0.646 0.000 1.134 602 D CA 0.067 53.775 54.000 -0.486 0.000 0.863 602 D CB 1.308 41.868 40.800 -0.401 0.000 1.143 602 D HN 0.261 nan 8.370 nan 0.000 0.458 603 S N 3.091 118.537 115.700 -0.423 0.000 2.614 603 S HA 0.000 4.470 4.470 0.001 0.000 0.230 603 S C 1.518 175.485 174.600 -1.054 0.000 0.952 603 S CA -0.474 57.455 58.200 -0.452 0.000 0.949 603 S CB 0.074 63.189 63.200 -0.142 0.000 0.786 603 S HN 0.462 nan 8.310 nan 0.000 0.478 604 L N 2.334 123.080 121.223 -0.794 0.000 2.201 604 L HA 0.071 4.412 4.340 0.001 0.000 0.212 604 L C 2.105 178.755 176.870 -0.365 0.000 1.105 604 L CA 1.446 55.925 54.840 -0.601 0.000 0.775 604 L CB -1.028 40.863 42.059 -0.280 0.000 0.913 604 L HN 0.356 nan 8.230 nan 0.000 0.440 605 G N -0.922 107.688 108.800 -0.316 0.000 2.421 605 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 605 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 605 G C 1.415 176.262 174.900 -0.087 0.000 1.171 605 G CA 0.916 45.920 45.100 -0.160 0.000 0.775 605 G HN 0.505 nan 8.290 nan 0.000 0.543 606 E N 0.059 120.192 120.200 -0.111 0.000 2.072 606 E HA -0.022 4.329 4.350 0.001 0.000 0.191 606 E C 2.207 178.873 176.600 0.110 0.000 0.985 606 E CA 0.729 57.151 56.400 0.036 0.000 0.801 606 E CB -0.253 29.524 29.700 0.128 0.000 0.750 606 E HN 0.398 nan 8.360 nan 0.000 0.452 607 F N 0.819 120.765 119.950 -0.007 0.000 2.161 607 F HA -0.156 4.371 4.527 0.001 0.000 0.300 607 F C 1.965 177.694 175.800 -0.118 0.000 1.089 607 F CA 0.876 58.811 58.000 -0.108 0.000 1.282 607 F CB -0.826 38.092 39.000 -0.136 0.000 1.010 607 F HN 0.027 nan 8.300 nan 0.000 0.485 608 L N -0.676 120.607 121.223 0.101 0.000 2.044 608 L HA -0.093 4.247 4.340 0.001 0.000 0.205 608 L C 2.737 179.627 176.870 0.033 0.000 1.075 608 L CA 1.150 56.013 54.840 0.038 0.000 0.747 608 L CB -1.299 40.771 42.059 0.018 0.000 0.903 608 L HN 0.114 nan 8.230 nan 0.000 0.435 609 A N 0.378 123.233 122.820 0.058 0.000 1.883 609 A HA -0.253 4.068 4.320 0.001 0.000 0.217 609 A C 2.225 179.808 177.584 -0.003 0.000 1.186 609 A CA 1.833 53.918 52.037 0.081 0.000 0.624 609 A CB -0.732 18.337 19.000 0.114 0.000 0.822 609 A HN 0.304 nan 8.150 nan 0.000 0.444 610 L N -0.188 121.053 121.223 0.031 0.000 1.961 610 L HA -0.045 4.295 4.340 0.001 0.000 0.210 610 L C 2.691 179.505 176.870 -0.094 0.000 1.072 610 L CA 2.375 57.210 54.840 -0.008 0.000 0.749 610 L CB -0.985 41.085 42.059 0.018 0.000 0.889 610 L HN 0.349 nan 8.230 nan 0.000 0.432 611 A N -1.058 121.702 122.820 -0.100 0.000 2.245 611 A HA -0.100 4.220 4.320 0.001 0.000 0.217 611 A C 2.222 179.742 177.584 -0.108 0.000 1.171 611 A CA 1.787 53.757 52.037 -0.111 0.000 0.688 611 A CB -0.961 17.968 19.000 -0.118 0.000 0.781 611 A HN 0.627 nan 8.150 nan 0.000 0.479 612 A N -0.415 122.306 122.820 -0.166 0.000 1.901 612 A HA 0.132 4.452 4.320 0.001 0.000 0.210 612 A C 2.394 179.587 177.584 -0.653 0.000 1.208 612 A CA 1.466 53.354 52.037 -0.248 0.000 0.644 612 A CB -0.659 18.296 19.000 -0.076 0.000 0.863 612 A HN 0.940 nan 8.150 nan 0.000 0.454 613 S N -0.189 114.958 115.700 -0.921 0.000 2.446 613 S HA 0.074 4.544 4.470 0.001 0.000 0.225 613 S C 1.819 176.235 174.600 -0.307 0.000 1.016 613 S CA 0.829 58.452 58.200 -0.962 0.000 0.943 613 S CB -0.532 62.242 63.200 -0.710 0.000 0.786 613 S HN 0.377 nan 8.310 nan 0.000 0.508 614 L N 1.150 122.264 121.223 -0.182 0.000 2.201 614 L HA -0.036 4.304 4.340 0.001 0.000 0.212 614 L C 2.953 179.804 176.870 -0.032 0.000 1.105 614 L CA 1.779 56.587 54.840 -0.054 0.000 0.775 614 L CB -0.387 41.682 42.059 0.016 0.000 0.913 614 L HN 0.538 nan 8.230 nan 0.000 0.440 615 E N -0.422 119.750 120.200 -0.048 0.000 2.033 615 E HA -0.273 4.077 4.350 0.001 0.000 0.189 615 E C 2.113 178.746 176.600 0.055 0.000 0.979 615 E CA 0.937 57.342 56.400 0.007 0.000 0.802 615 E CB -0.040 29.668 29.700 0.013 0.000 0.763 615 E HN 0.449 nan 8.360 nan 0.000 0.449 616 H N 0.260 119.313 119.070 -0.029 0.000 2.394 616 H HA -0.196 4.361 4.556 0.001 0.000 0.297 616 H C 1.979 177.368 175.328 0.102 0.000 1.113 616 H CA 1.904 58.005 56.048 0.088 0.000 1.277 616 H CB -0.160 29.711 29.762 0.182 0.000 1.370 616 H HN 0.213 nan 8.280 nan 0.000 0.506 617 L N -0.092 121.192 121.223 0.102 0.000 1.921 617 L HA -0.039 4.302 4.340 0.001 0.000 0.219 617 L C 2.796 179.690 176.870 0.040 0.000 1.081 617 L CA 2.283 57.123 54.840 -0.001 0.000 0.771 617 L CB -1.395 40.625 42.059 -0.065 0.000 0.888 617 L HN 0.428 nan 8.230 nan 0.000 0.433 618 G N -0.585 108.230 108.800 0.026 0.000 2.545 618 G HA2 -0.392 3.569 3.960 0.001 0.000 0.222 618 G HA3 -0.392 3.569 3.960 0.001 0.000 0.222 618 G C 1.509 176.453 174.900 0.074 0.000 1.126 618 G CA 1.254 46.385 45.100 0.052 0.000 0.754 618 G HN 0.525 nan 8.290 nan 0.000 0.583 619 N N 0.937 119.666 118.700 0.048 0.000 2.135 619 N HA -0.025 4.716 4.740 0.001 0.000 0.186 619 N C 2.431 177.950 175.510 0.014 0.000 1.027 619 N CA 1.234 54.297 53.050 0.022 0.000 0.849 619 N CB -0.425 38.062 38.487 0.001 0.000 1.002 619 N HN 0.311 nan 8.380 nan 0.000 0.425 620 A N -0.703 122.128 122.820 0.018 0.000 2.206 620 A HA 0.050 4.370 4.320 0.001 0.000 0.211 620 A C 0.119 177.665 177.584 -0.062 0.000 1.158 620 A CA 0.699 52.723 52.037 -0.021 0.000 0.761 620 A CB -0.111 18.857 19.000 -0.054 0.000 0.801 620 A HN 0.197 nan 8.150 nan 0.000 0.473 621 Y N -1.125 119.147 120.300 -0.047 0.000 2.914 621 Y HA 0.417 4.967 4.550 0.001 0.000 0.315 621 Y C 0.664 176.556 175.900 -0.014 0.000 1.345 621 Y CA -1.165 56.922 58.100 -0.021 0.000 1.121 621 Y CB 0.855 39.310 38.460 -0.009 0.000 1.363 621 Y HN 0.073 nan 8.280 nan 0.000 0.566 622 K N 0.231 120.741 120.400 0.183 0.000 2.994 622 K HA 0.245 4.566 4.320 0.001 0.000 0.231 622 K C -0.514 176.139 176.600 0.087 0.000 1.174 622 K CA -0.132 56.211 56.287 0.093 0.000 1.221 622 K CB -0.097 32.444 32.500 0.068 0.000 1.166 622 K HN 0.199 nan 8.250 nan 0.000 0.453 623 N N 1.718 120.476 118.700 0.096 0.000 2.558 623 N HA 0.219 4.959 4.740 0.001 0.000 0.242 623 N C -2.241 173.290 175.510 0.035 0.000 0.979 623 N CA -2.198 50.885 53.050 0.054 0.000 0.931 623 N CB 1.751 40.258 38.487 0.035 0.000 1.122 623 N HN -0.029 nan 8.380 nan 0.000 0.508 624 P HA 0.021 nan 4.420 nan 0.000 0.215 624 P C 0.973 178.279 177.300 0.009 0.000 1.160 624 P CA 1.157 64.266 63.100 0.016 0.000 0.869 624 P CB 0.539 32.245 31.700 0.012 0.000 0.782 625 K N 0.155 120.557 120.400 0.003 0.000 2.107 625 K HA -0.232 4.088 4.320 0.001 0.000 0.211 625 K C 2.116 178.714 176.600 -0.003 0.000 1.049 625 K CA 1.941 58.222 56.287 -0.009 0.000 0.927 625 K CB -1.055 31.437 32.500 -0.013 0.000 0.714 625 K HN 0.063 nan 8.250 nan 0.000 0.452 626 A N 1.745 124.568 122.820 0.006 0.000 1.865 626 A HA -0.157 4.164 4.320 0.001 0.000 0.217 626 A C 2.192 179.793 177.584 0.027 0.000 1.191 626 A CA 1.449 53.495 52.037 0.014 0.000 0.623 626 A CB -0.805 18.197 19.000 0.004 0.000 0.826 626 A HN 0.214 nan 8.150 nan 0.000 0.444 627 L N -0.588 120.649 121.223 0.023 0.000 2.261 627 L HA -0.172 4.168 4.340 0.001 0.000 0.216 627 L C 2.372 179.258 176.870 0.027 0.000 1.114 627 L CA 0.787 55.642 54.840 0.024 0.000 0.777 627 L CB -0.432 41.639 42.059 0.021 0.000 0.910 627 L HN 0.286 nan 8.230 nan 0.000 0.440 628 V N 0.077 120.004 119.914 0.022 0.000 2.374 628 V HA -0.165 3.955 4.120 0.001 0.000 0.241 628 V C 2.046 178.171 176.094 0.053 0.000 1.034 628 V CA 1.223 63.535 62.300 0.019 0.000 1.037 628 V CB -0.073 31.743 31.823 -0.012 0.000 0.682 628 V HN 0.422 nan 8.190 nan 0.000 0.463 629 L N 0.222 121.480 121.223 0.059 0.000 2.551 629 L HA 0.224 4.565 4.340 0.001 0.000 0.228 629 L C 1.966 179.054 176.870 0.363 0.000 1.153 629 L CA 1.908 56.852 54.840 0.174 0.000 0.851 629 L CB -1.669 40.415 42.059 0.041 0.000 0.959 629 L HN 0.128 nan 8.230 nan 0.000 0.451 630 A N -0.739 122.184 122.820 0.171 0.000 1.973 630 A HA 0.037 4.357 4.320 0.001 0.000 0.210 630 A C 2.409 180.016 177.584 0.038 0.000 1.200 630 A CA 0.887 52.978 52.037 0.091 0.000 0.707 630 A CB -0.615 18.407 19.000 0.038 0.000 0.862 630 A HN 0.399 nan 8.150 nan 0.000 0.461 631 S N 0.218 115.948 115.700 0.049 0.000 2.382 631 S HA -0.169 4.302 4.470 0.001 0.000 0.228 631 S C 2.215 176.830 174.600 0.025 0.000 1.027 631 S CA 2.615 60.829 58.200 0.024 0.000 0.991 631 S CB -0.596 62.619 63.200 0.025 0.000 0.823 631 S HN 0.789 nan 8.310 nan 0.000 0.469 632 T N 0.348 114.954 114.554 0.087 0.000 2.770 632 T HA -0.007 4.344 4.350 0.001 0.000 0.258 632 T C 1.820 176.508 174.700 -0.020 0.000 1.039 632 T CA 1.142 63.312 62.100 0.118 0.000 1.143 632 T CB -0.928 68.104 68.868 0.273 0.000 0.866 632 T HN 0.278 nan 8.240 nan 0.000 0.428 633 L N 2.360 123.510 121.223 -0.123 0.000 1.997 633 L HA -0.165 4.176 4.340 0.001 0.000 0.216 633 L C 2.051 178.660 176.870 -0.435 0.000 1.074 633 L CA 2.145 56.512 54.840 -0.788 0.000 0.763 633 L CB -1.354 40.203 42.059 -0.836 0.000 0.890 633 L HN 0.204 nan 8.230 nan 0.000 0.434 634 D N -0.767 119.500 120.400 -0.221 0.000 2.157 634 D HA -0.300 4.340 4.640 0.001 0.000 0.191 634 D C 2.051 178.269 176.300 -0.136 0.000 1.004 634 D CA 1.877 55.791 54.000 -0.142 0.000 0.854 634 D CB -0.038 40.719 40.800 -0.072 0.000 0.936 634 D HN 0.647 nan 8.370 nan 0.000 0.446 635 Q N 0.159 119.889 119.800 -0.117 0.000 1.990 635 Q HA -0.114 4.226 4.340 0.001 0.000 0.200 635 Q C 2.177 178.108 176.000 -0.115 0.000 0.980 635 Q CA 1.626 57.374 55.803 -0.090 0.000 0.832 635 Q CB -0.163 28.547 28.738 -0.048 0.000 0.897 635 Q HN 0.185 nan 8.270 nan 0.000 0.427 636 A N 0.169 122.906 122.820 -0.138 0.000 1.997 636 A HA -0.255 4.065 4.320 0.001 0.000 0.221 636 A C 2.191 179.700 177.584 -0.126 0.000 1.172 636 A CA 2.188 54.170 52.037 -0.092 0.000 0.645 636 A CB -1.169 17.743 19.000 -0.147 0.000 0.813 636 A HN 0.582 nan 8.150 nan 0.000 0.454 637 T N -0.271 114.144 114.554 -0.231 0.000 2.643 637 T HA -0.051 4.300 4.350 0.001 0.000 0.264 637 T C 2.067 176.714 174.700 -0.090 0.000 1.045 637 T CA 1.593 63.585 62.100 -0.181 0.000 1.155 637 T CB -0.980 67.808 68.868 -0.134 0.000 0.863 637 T HN 0.624 nan 8.240 nan 0.000 0.420 638 G N 2.363 111.112 108.800 -0.085 0.000 2.574 638 G HA2 -0.314 3.646 3.960 0.001 0.000 0.220 638 G HA3 -0.314 3.646 3.960 0.001 0.000 0.220 638 G C 1.569 176.432 174.900 -0.063 0.000 1.173 638 G CA 0.932 45.994 45.100 -0.063 0.000 0.772 638 G HN 0.381 nan 8.290 nan 0.000 0.585 639 K N -0.077 120.267 120.400 -0.092 0.000 2.360 639 K HA 0.011 4.331 4.320 0.001 0.000 0.201 639 K C 2.298 178.926 176.600 0.047 0.000 1.046 639 K CA 0.337 56.532 56.287 -0.153 0.000 0.940 639 K CB -0.169 32.030 32.500 -0.502 0.000 0.748 639 K HN 0.290 nan 8.250 nan 0.000 0.465 640 I N 1.048 121.664 120.570 0.076 0.000 2.233 640 I HA -0.197 3.974 4.170 0.001 0.000 0.243 640 I C 2.119 178.194 176.117 -0.071 0.000 1.093 640 I CA 1.189 62.520 61.300 0.052 0.000 1.380 640 I CB -0.610 37.387 38.000 -0.006 0.000 1.067 640 I HN 0.102 nan 8.210 nan 0.000 0.413 641 L N -0.054 121.087 121.223 -0.136 0.000 2.376 641 L HA -0.143 4.197 4.340 0.001 0.000 0.219 641 L C 1.621 178.497 176.870 0.010 0.000 1.133 641 L CA 0.771 55.459 54.840 -0.252 0.000 0.816 641 L CB -0.522 41.385 42.059 -0.254 0.000 0.933 641 L HN 0.163 nan 8.230 nan 0.000 0.449 642 D N -0.438 119.972 120.400 0.016 0.000 2.271 642 D HA -0.050 4.591 4.640 0.001 0.000 0.206 642 D C 1.385 177.715 176.300 0.050 0.000 0.967 642 D CA 0.708 54.740 54.000 0.055 0.000 0.867 642 D CB 0.084 40.888 40.800 0.008 0.000 0.960 642 D HN 0.195 nan 8.370 nan 0.000 0.509 643 N N 0.427 119.143 118.700 0.027 0.000 2.187 643 N HA 0.023 4.763 4.740 0.001 0.000 0.212 643 N C -0.405 175.101 175.510 -0.007 0.000 1.152 643 N CA -0.056 53.013 53.050 0.032 0.000 0.872 643 N CB 0.411 38.938 38.487 0.068 0.000 1.025 643 N HN -0.036 nan 8.380 nan 0.000 0.514 644 N N 1.030 119.715 118.700 -0.025 0.000 2.738 644 N HA -0.153 4.588 4.740 0.001 0.000 0.249 644 N C -0.559 174.892 175.510 -0.098 0.000 1.047 644 N CA 0.443 53.465 53.050 -0.047 0.000 0.707 644 N CB -0.354 38.126 38.487 -0.011 0.000 0.937 644 N HN 0.015 nan 8.380 nan 0.000 0.545 645 K N -0.289 120.016 120.400 -0.159 0.000 2.684 645 K HA 0.235 4.555 4.320 0.001 0.000 0.215 645 K C -0.209 176.317 176.600 -0.123 0.000 1.073 645 K CA 0.053 56.172 56.287 -0.280 0.000 1.197 645 K CB 0.284 32.456 32.500 -0.548 0.000 0.955 645 K HN 0.182 nan 8.250 nan 0.000 0.473 646 S N 1.934 117.586 115.700 -0.080 0.000 2.565 646 S HA 0.409 4.880 4.470 0.001 0.000 0.290 646 S C -2.516 172.080 174.600 -0.007 0.000 1.150 646 S CA -1.321 56.849 58.200 -0.051 0.000 1.058 646 S CB 1.386 64.524 63.200 -0.105 0.000 1.032 646 S HN 0.040 nan 8.310 nan 0.000 0.510 647 P HA 0.046 nan 4.420 nan 0.000 0.261 647 P C -0.468 176.896 177.300 0.108 0.000 1.165 647 P CA 0.289 63.410 63.100 0.034 0.000 0.759 647 P CB 0.187 31.872 31.700 -0.024 0.000 0.772 648 A N 4.832 127.772 122.820 0.200 0.000 2.445 648 A HA 0.336 4.656 4.320 0.001 0.000 0.270 648 A C 1.428 179.132 177.584 0.200 0.000 1.495 648 A CA 0.167 52.313 52.037 0.181 0.000 0.840 648 A CB 0.426 19.527 19.000 0.170 0.000 1.472 648 A HN 0.413 nan 8.150 nan 0.000 0.541 649 R N -1.286 119.245 120.500 0.051 0.000 2.194 649 R HA 0.241 4.582 4.340 0.001 0.000 0.194 649 R C 0.210 176.288 176.300 -0.370 0.000 0.985 649 R CA 0.421 56.496 56.100 -0.042 0.000 1.104 649 R CB -0.171 30.126 30.300 -0.005 0.000 1.092 649 R HN 0.499 nan 8.270 nan 0.000 0.555 650 K N 1.359 121.528 120.400 -0.386 0.000 2.166 650 K HA 0.289 4.609 4.320 0.001 0.000 0.245 650 K C -0.271 175.941 176.600 -0.647 0.000 0.967 650 K CA -0.758 55.228 56.287 -0.502 0.000 0.863 650 K CB 2.021 34.390 32.500 -0.218 0.000 1.107 650 K HN -0.239 nan 8.250 nan 0.000 0.436 651 V N 1.831 121.439 119.914 -0.509 0.000 2.953 651 V HA 0.128 4.249 4.120 0.001 0.000 0.304 651 V C 1.575 177.660 176.094 -0.015 0.000 1.138 651 V CA 1.757 63.963 62.300 -0.156 0.000 1.266 651 V CB 0.233 32.042 31.823 -0.023 0.000 0.923 651 V HN 1.124 nan 8.190 nan 0.000 0.505 652 G N 3.392 112.265 108.800 0.121 0.000 2.698 652 G HA2 -0.121 3.840 3.960 0.001 0.000 0.200 652 G HA3 -0.121 3.840 3.960 0.001 0.000 0.200 652 G C -0.094 174.889 174.900 0.137 0.000 2.083 652 G CA -0.119 45.038 45.100 0.096 0.000 1.629 652 G HN 0.652 nan 8.290 nan 0.000 0.565 653 E N 0.662 120.952 120.200 0.151 0.000 2.156 653 E HA 0.600 4.950 4.350 0.001 0.000 0.279 653 E C 0.588 177.311 176.600 0.205 0.000 0.965 653 E CA -0.464 56.027 56.400 0.152 0.000 0.789 653 E CB 2.210 31.972 29.700 0.102 0.000 1.098 653 E HN 0.528 nan 8.360 nan 0.000 0.397 654 I N 1.895 122.558 120.570 0.154 0.000 4.014 654 I HA -0.443 3.727 4.170 0.001 0.000 0.127 654 I C 0.677 176.812 176.117 0.029 0.000 0.414 654 I CA 1.866 63.237 61.300 0.117 0.000 1.230 654 I CB -1.460 36.596 38.000 0.094 0.000 1.086 654 I HN 0.955 nan 8.210 nan 0.000 0.197 655 D N -1.436 118.901 120.400 -0.106 0.000 3.251 655 D HA -0.325 4.315 4.640 0.001 0.000 0.206 655 D C 0.968 177.116 176.300 -0.253 0.000 1.534 655 D CA 2.255 55.971 54.000 -0.473 0.000 1.032 655 D CB -0.680 39.899 40.800 -0.367 0.000 0.650 655 D HN 0.485 nan 8.370 nan 0.000 0.735 656 N N -1.193 117.369 118.700 -0.231 0.000 2.513 656 N HA 0.151 4.892 4.740 0.001 0.000 0.196 656 N C 1.309 176.694 175.510 -0.208 0.000 1.041 656 N CA 0.412 53.322 53.050 -0.235 0.000 0.916 656 N CB 0.078 38.441 38.487 -0.207 0.000 1.172 656 N HN 0.237 nan 8.380 nan 0.000 0.444 657 R N 0.386 120.902 120.500 0.025 0.000 2.328 657 R HA 0.006 4.347 4.340 0.001 0.000 0.207 657 R C 1.490 177.951 176.300 0.267 0.000 1.056 657 R CA 0.899 57.160 56.100 0.268 0.000 1.016 657 R CB -0.496 29.988 30.300 0.307 0.000 0.872 657 R HN 0.334 nan 8.270 nan 0.000 0.471 658 G N -0.155 108.735 108.800 0.150 0.000 2.404 658 G HA2 -0.281 3.679 3.960 0.001 0.000 0.215 658 G HA3 -0.281 3.679 3.960 0.001 0.000 0.215 658 G C 1.500 176.626 174.900 0.376 0.000 1.174 658 G CA 0.908 46.142 45.100 0.223 0.000 0.780 658 G HN 0.496 nan 8.290 nan 0.000 0.537 659 S N 0.129 115.959 115.700 0.215 0.000 2.345 659 S HA -0.138 4.332 4.470 0.001 0.000 0.219 659 S C 2.155 176.909 174.600 0.257 0.000 1.031 659 S CA 1.432 59.764 58.200 0.220 0.000 0.984 659 S CB -0.815 62.447 63.200 0.104 0.000 0.874 659 S HN 0.398 nan 8.310 nan 0.000 0.451 660 H N 0.867 120.109 119.070 0.286 0.000 2.431 660 H HA -0.089 4.468 4.556 0.001 0.000 0.297 660 H C 1.799 177.259 175.328 0.219 0.000 1.115 660 H CA 1.538 57.745 56.048 0.265 0.000 1.277 660 H CB -0.874 29.060 29.762 0.287 0.000 1.372 660 H HN 0.645 nan 8.280 nan 0.000 0.516 661 F N 0.640 120.718 119.950 0.212 0.000 2.084 661 F HA -0.198 4.329 4.527 0.001 0.000 0.296 661 F C 2.110 177.732 175.800 -0.298 0.000 1.111 661 F CA 1.091 59.016 58.000 -0.125 0.000 1.224 661 F CB -0.938 37.785 39.000 -0.463 0.000 0.991 661 F HN -0.029 nan 8.300 nan 0.000 0.471 662 Y N 0.146 120.034 120.300 -0.687 0.000 2.207 662 Y HA -0.217 4.334 4.550 0.001 0.000 0.287 662 Y C 2.352 177.787 175.900 -0.775 0.000 1.156 662 Y CA 1.618 59.097 58.100 -1.035 0.000 1.182 662 Y CB -0.904 37.101 38.460 -0.759 0.000 0.979 662 Y HN 0.253 nan 8.280 nan 0.000 0.521 663 L N 0.301 121.334 121.223 -0.318 0.000 1.990 663 L HA -0.246 4.095 4.340 0.001 0.000 0.213 663 L C 2.454 179.206 176.870 -0.196 0.000 1.072 663 L CA 2.175 56.793 54.840 -0.370 0.000 0.755 663 L CB -1.162 40.562 42.059 -0.557 0.000 0.889 663 L HN 0.152 nan 8.230 nan 0.000 0.432 664 A N -0.684 122.075 122.820 -0.103 0.000 1.917 664 A HA -0.228 4.092 4.320 0.001 0.000 0.219 664 A C 2.220 179.885 177.584 0.135 0.000 1.182 664 A CA 2.179 54.300 52.037 0.139 0.000 0.633 664 A CB -1.131 18.130 19.000 0.434 0.000 0.819 664 A HN 0.555 nan 8.150 nan 0.000 0.448 665 L N -0.967 120.043 121.223 -0.354 0.000 1.948 665 L HA -0.133 4.208 4.340 0.001 0.000 0.212 665 L C 2.330 179.222 176.870 0.037 0.000 1.074 665 L CA 2.043 56.661 54.840 -0.369 0.000 0.753 665 L CB -1.376 40.048 42.059 -1.059 0.000 0.888 665 L HN 0.532 nan 8.230 nan 0.000 0.432 666 Y N -2.436 117.821 120.300 -0.071 0.000 2.315 666 Y HA -0.326 4.224 4.550 0.001 0.000 0.288 666 Y C 2.328 178.309 175.900 0.135 0.000 1.154 666 Y CA 0.576 58.686 58.100 0.017 0.000 1.229 666 Y CB -0.352 38.088 38.460 -0.033 0.000 0.980 666 Y HN 0.451 nan 8.280 nan 0.000 0.540 667 W N 0.651 122.019 121.300 0.114 0.000 2.444 667 W HA -0.082 4.579 4.660 0.001 0.000 0.308 667 W C 2.504 179.195 176.519 0.285 0.000 1.183 667 W CA 1.345 58.764 57.345 0.123 0.000 1.340 667 W CB -0.913 28.521 29.460 -0.043 0.000 1.138 667 W HN -0.030 nan 8.180 nan 0.000 0.510 668 A N 0.532 123.740 122.820 0.648 0.000 1.873 668 A HA -0.302 4.018 4.320 0.001 0.000 0.218 668 A C 1.960 179.714 177.584 0.284 0.000 1.193 668 A CA 2.348 54.676 52.037 0.485 0.000 0.629 668 A CB -1.035 18.197 19.000 0.387 0.000 0.826 668 A HN 0.515 nan 8.150 nan 0.000 0.447 669 Q N -0.791 119.156 119.800 0.245 0.000 2.030 669 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 669 Q C 2.468 178.547 176.000 0.132 0.000 0.986 669 Q CA 1.460 57.363 55.803 0.167 0.000 0.843 669 Q CB -0.488 28.348 28.738 0.162 0.000 0.904 669 Q HN 0.678 nan 8.270 nan 0.000 0.420 670 A N 1.027 123.944 122.820 0.162 0.000 1.986 670 A HA -0.197 4.124 4.320 0.001 0.000 0.220 670 A C 2.074 179.705 177.584 0.078 0.000 1.171 670 A CA 1.367 53.476 52.037 0.120 0.000 0.640 670 A CB -0.643 18.459 19.000 0.169 0.000 0.811 670 A HN 0.280 nan 8.150 nan 0.000 0.451 671 L N -1.442 119.808 121.223 0.045 0.000 2.084 671 L HA -0.008 4.332 4.340 0.001 0.000 0.202 671 L C 2.668 179.514 176.870 -0.041 0.000 1.074 671 L CA 0.841 55.624 54.840 -0.095 0.000 0.757 671 L CB -0.454 41.336 42.059 -0.449 0.000 0.918 671 L HN 0.359 nan 8.230 nan 0.000 0.444 672 A N -0.285 122.552 122.820 0.029 0.000 2.250 672 A HA 0.285 4.605 4.320 0.001 0.000 0.208 672 A C 1.483 179.093 177.584 0.043 0.000 1.254 672 A CA 1.047 53.120 52.037 0.061 0.000 0.858 672 A CB -0.571 18.493 19.000 0.106 0.000 0.820 672 A HN 0.399 nan 8.150 nan 0.000 0.484 673 A N -0.895 121.944 122.820 0.031 0.000 2.628 673 A HA 0.457 4.777 4.320 0.001 0.000 0.267 673 A C 0.475 178.068 177.584 0.014 0.000 1.159 673 A CA 0.088 52.140 52.037 0.026 0.000 0.972 673 A CB 0.164 19.182 19.000 0.031 0.000 1.211 673 A HN 0.560 nan 8.150 nan 0.000 0.576 674 Q N -1.305 118.499 119.800 0.007 0.000 2.385 674 Q HA 0.733 5.073 4.340 0.001 0.000 0.262 674 Q C 0.131 176.131 176.000 -0.001 0.000 1.050 674 Q CA 0.109 55.913 55.803 0.002 0.000 0.903 674 Q CB 0.506 29.242 28.738 -0.003 0.000 1.325 674 Q HN 0.196 nan 8.270 nan 0.000 0.485 675 T N -4.728 109.825 114.554 -0.002 0.000 3.403 675 T HA 0.250 4.600 4.350 0.001 0.000 0.308 675 T C 0.356 175.054 174.700 -0.003 0.000 0.952 675 T CA -0.418 61.681 62.100 -0.002 0.000 0.970 675 T CB 0.109 68.977 68.868 0.001 0.000 1.189 675 T HN 0.432 nan 8.240 nan 0.000 0.528 676 E N 2.042 122.238 120.200 -0.005 0.000 2.150 676 E HA -0.017 4.333 4.350 0.001 0.000 0.193 676 E C 0.201 176.796 176.600 -0.007 0.000 0.985 676 E CA 1.005 57.403 56.400 -0.004 0.000 0.814 676 E CB 0.139 29.837 29.700 -0.004 0.000 0.752 676 E HN 0.612 nan 8.360 nan 0.000 0.466 677 D N -0.144 120.249 120.400 -0.013 0.000 2.336 677 D HA 0.030 4.670 4.640 0.001 0.000 0.248 677 D C 0.677 176.969 176.300 -0.013 0.000 1.326 677 D CA -0.161 53.830 54.000 -0.014 0.000 0.973 677 D CB 0.901 41.688 40.800 -0.023 0.000 1.255 677 D HN -0.144 nan 8.370 nan 0.000 0.558 678 K N 2.793 123.189 120.400 -0.006 0.000 2.103 678 K HA -0.200 4.121 4.320 0.001 0.000 0.207 678 K C 1.384 177.984 176.600 -0.000 0.000 1.048 678 K CA 1.273 57.559 56.287 -0.003 0.000 0.930 678 K CB 0.282 32.782 32.500 -0.001 0.000 0.716 678 K HN 0.442 nan 8.250 nan 0.000 0.444 679 E N 0.242 120.441 120.200 -0.002 0.000 2.012 679 E HA -0.225 4.126 4.350 0.001 0.000 0.197 679 E C 2.027 178.635 176.600 0.013 0.000 1.007 679 E CA 1.576 57.977 56.400 0.002 0.000 0.816 679 E CB -0.066 29.633 29.700 -0.002 0.000 0.762 679 E HN 0.188 nan 8.360 nan 0.000 0.451 680 L N 1.179 122.403 121.223 0.001 0.000 1.990 680 L HA -0.289 4.051 4.340 0.001 0.000 0.213 680 L C 2.700 179.594 176.870 0.039 0.000 1.072 680 L CA 2.162 57.005 54.840 0.005 0.000 0.755 680 L CB -1.047 40.945 42.059 -0.112 0.000 0.889 680 L HN 0.308 nan 8.230 nan 0.000 0.432 681 Q N -0.726 119.074 119.800 0.001 0.000 2.133 681 Q HA -0.302 4.038 4.340 0.001 0.000 0.208 681 Q C 2.076 178.104 176.000 0.048 0.000 0.991 681 Q CA 2.308 58.123 55.803 0.020 0.000 0.867 681 Q CB -0.119 28.623 28.738 0.007 0.000 0.911 681 Q HN 0.534 nan 8.270 nan 0.000 0.417 682 A N 1.177 124.017 122.820 0.034 0.000 1.874 682 A HA -0.169 4.151 4.320 0.001 0.000 0.214 682 A C 1.651 179.246 177.584 0.019 0.000 1.189 682 A CA 1.238 53.287 52.037 0.021 0.000 0.615 682 A CB -0.436 18.568 19.000 0.007 0.000 0.830 682 A HN 0.679 nan 8.150 nan 0.000 0.443 683 Q N -2.604 117.217 119.800 0.034 0.000 2.414 683 Q HA 0.419 4.760 4.340 0.001 0.000 0.286 683 Q C -0.278 175.697 176.000 -0.043 0.000 0.941 683 Q CA 0.075 55.868 55.803 -0.018 0.000 0.951 683 Q CB -0.295 28.428 28.738 -0.024 0.000 1.188 683 Q HN 0.497 nan 8.270 nan 0.000 0.418 684 F N -0.946 118.920 119.950 -0.140 0.000 3.064 684 F HA 0.028 4.555 4.527 0.001 0.000 0.384 684 F C 1.704 177.435 175.800 -0.115 0.000 1.083 684 F CA 0.582 58.473 58.000 -0.182 0.000 1.037 684 F CB 0.744 39.616 39.000 -0.214 0.000 1.322 684 F HN 0.267 nan 8.300 nan 0.000 0.535 685 T N -2.516 112.066 114.554 0.046 0.000 2.812 685 T HA -0.015 4.336 4.350 0.001 0.000 0.264 685 T C 2.384 177.075 174.700 -0.015 0.000 1.042 685 T CA 1.299 63.416 62.100 0.028 0.000 1.140 685 T CB -1.054 67.826 68.868 0.020 0.000 0.870 685 T HN 0.225 nan 8.240 nan 0.000 0.445 686 G N 1.607 110.371 108.800 -0.059 0.000 2.507 686 G HA2 -0.131 3.830 3.960 0.001 0.000 0.221 686 G HA3 -0.131 3.830 3.960 0.001 0.000 0.221 686 G C 1.476 176.330 174.900 -0.077 0.000 1.119 686 G CA 1.076 46.132 45.100 -0.073 0.000 0.751 686 G HN 0.593 nan 8.290 nan 0.000 0.574 687 I N 0.630 121.129 120.570 -0.119 0.000 2.368 687 I HA 0.048 4.218 4.170 0.001 0.000 0.238 687 I C 3.265 179.385 176.117 0.005 0.000 1.076 687 I CA 0.641 61.885 61.300 -0.094 0.000 1.397 687 I CB -0.671 37.184 38.000 -0.241 0.000 1.141 687 I HN 0.202 nan 8.210 nan 0.000 0.430 688 A N 0.888 123.733 122.820 0.042 0.000 1.923 688 A HA -0.311 4.009 4.320 0.001 0.000 0.222 688 A C 1.934 179.558 177.584 0.068 0.000 1.258 688 A CA 1.994 54.085 52.037 0.090 0.000 0.670 688 A CB -0.712 18.349 19.000 0.103 0.000 0.834 688 A HN 0.376 nan 8.150 nan 0.000 0.470 689 K N -0.829 119.597 120.400 0.044 0.000 2.765 689 K HA 0.476 4.796 4.320 0.001 0.000 0.246 689 K C 0.204 176.824 176.600 0.032 0.000 1.254 689 K CA 0.490 56.801 56.287 0.039 0.000 1.219 689 K CB -0.286 32.231 32.500 0.029 0.000 1.747 689 K HN 0.436 nan 8.250 nan 0.000 0.372 690 A N 1.466 124.312 122.820 0.044 0.000 2.004 690 A HA 0.061 4.382 4.320 0.001 0.000 0.175 690 A C 0.950 178.573 177.584 0.066 0.000 1.902 690 A CA -0.290 51.773 52.037 0.043 0.000 1.457 690 A CB 0.162 19.182 19.000 0.035 0.000 1.593 690 A HN 0.343 nan 8.150 nan 0.000 0.363 691 L N 1.020 122.294 121.223 0.085 0.000 2.313 691 L HA 0.018 4.359 4.340 0.001 0.000 0.214 691 L C 2.166 179.110 176.870 0.122 0.000 1.119 691 L CA 2.140 57.051 54.840 0.118 0.000 0.809 691 L CB -1.510 40.598 42.059 0.082 0.000 0.933 691 L HN 0.421 nan 8.230 nan 0.000 0.449 692 T N -0.548 114.060 114.554 0.090 0.000 2.894 692 T HA -0.080 4.270 4.350 0.001 0.000 0.258 692 T C 1.385 176.128 174.700 0.072 0.000 1.043 692 T CA 1.062 63.221 62.100 0.097 0.000 1.141 692 T CB -0.048 68.873 68.868 0.089 0.000 0.873 692 T HN 0.274 nan 8.240 nan 0.000 0.449 693 D N 1.917 122.348 120.400 0.052 0.000 2.149 693 D HA -0.070 4.571 4.640 0.001 0.000 0.198 693 D C 1.281 177.589 176.300 0.014 0.000 0.990 693 D CA 0.972 54.992 54.000 0.032 0.000 0.839 693 D CB -0.302 40.515 40.800 0.027 0.000 0.948 693 D HN 0.319 nan 8.370 nan 0.000 0.460 694 N N -0.280 118.423 118.700 0.005 0.000 2.235 694 N HA 0.063 4.804 4.740 0.001 0.000 0.209 694 N C 1.014 176.446 175.510 -0.130 0.000 1.122 694 N CA -0.099 52.924 53.050 -0.044 0.000 0.845 694 N CB 0.419 38.885 38.487 -0.035 0.000 1.004 694 N HN 0.278 nan 8.380 nan 0.000 0.499 695 E N 0.860 121.014 120.200 -0.076 0.000 2.021 695 E HA -0.253 4.098 4.350 0.001 0.000 0.200 695 E C 1.148 177.603 176.600 -0.243 0.000 1.015 695 E CA 2.338 58.636 56.400 -0.170 0.000 0.824 695 E CB -0.173 29.573 29.700 0.077 0.000 0.762 695 E HN 0.353 nan 8.360 nan 0.000 0.454 696 T N 0.046 114.546 114.554 -0.089 0.000 2.685 696 T HA -0.265 4.086 4.350 0.001 0.000 0.268 696 T C 1.909 176.547 174.700 -0.104 0.000 1.034 696 T CA 1.801 63.863 62.100 -0.064 0.000 1.149 696 T CB -0.388 68.472 68.868 -0.014 0.000 0.860 696 T HN 0.214 nan 8.240 nan 0.000 0.449 697 K N 0.894 121.226 120.400 -0.113 0.000 1.991 697 K HA 0.035 4.355 4.320 0.001 0.000 0.207 697 K C 2.428 178.930 176.600 -0.163 0.000 1.045 697 K CA 1.013 57.237 56.287 -0.104 0.000 0.937 697 K CB -0.340 32.115 32.500 -0.074 0.000 0.720 697 K HN 0.325 nan 8.250 nan 0.000 0.438 698 I N 1.078 121.486 120.570 -0.270 0.000 2.091 698 I HA -0.356 3.815 4.170 0.001 0.000 0.239 698 I C 2.295 178.179 176.117 -0.388 0.000 1.061 698 I CA 1.441 62.513 61.300 -0.380 0.000 1.317 698 I CB -0.368 37.190 38.000 -0.738 0.000 1.031 698 I HN 0.054 nan 8.210 nan 0.000 0.401 699 V N 1.160 120.772 119.914 -0.502 0.000 2.277 699 V HA -0.345 3.775 4.120 0.001 0.000 0.253 699 V C 2.541 178.552 176.094 -0.139 0.000 1.067 699 V CA 2.427 64.545 62.300 -0.303 0.000 1.047 699 V CB -1.651 30.066 31.823 -0.177 0.000 0.649 699 V HN 0.665 nan 8.190 nan 0.000 0.447 700 G N -0.874 107.858 108.800 -0.114 0.000 2.446 700 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 700 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 700 G C 1.437 176.311 174.900 -0.044 0.000 1.168 700 G CA 0.901 45.967 45.100 -0.056 0.000 0.771 700 G HN 0.588 nan 8.290 nan 0.000 0.551 701 E N 0.109 120.272 120.200 -0.061 0.000 2.118 701 E HA -0.083 4.267 4.350 0.001 0.000 0.195 701 E C 2.592 179.187 176.600 -0.009 0.000 0.992 701 E CA 0.572 56.954 56.400 -0.030 0.000 0.804 701 E CB -0.172 29.511 29.700 -0.027 0.000 0.741 701 E HN 0.425 nan 8.360 nan 0.000 0.458 702 L N 0.466 121.674 121.223 -0.025 0.000 1.988 702 L HA -0.117 4.223 4.340 0.001 0.000 0.207 702 L C 2.634 179.520 176.870 0.028 0.000 1.071 702 L CA 1.021 55.868 54.840 0.012 0.000 0.744 702 L CB -0.602 41.456 42.059 -0.001 0.000 0.893 702 L HN 0.096 nan 8.230 nan 0.000 0.433 703 A N 0.145 122.978 122.820 0.022 0.000 2.131 703 A HA -0.103 4.218 4.320 0.001 0.000 0.220 703 A C 2.090 179.700 177.584 0.042 0.000 1.158 703 A CA 1.362 53.428 52.037 0.048 0.000 0.665 703 A CB -0.645 18.385 19.000 0.049 0.000 0.795 703 A HN 0.424 nan 8.150 nan 0.000 0.460 704 A N -1.300 121.535 122.820 0.025 0.000 2.268 704 A HA 0.505 4.826 4.320 0.001 0.000 0.221 704 A C 1.322 178.920 177.584 0.022 0.000 1.287 704 A CA 0.945 52.994 52.037 0.019 0.000 0.902 704 A CB -0.667 18.337 19.000 0.008 0.000 0.877 704 A HN 1.152 nan 8.150 nan 0.000 0.487 705 A N -1.298 121.543 122.820 0.034 0.000 2.671 705 A HA 0.334 4.654 4.320 0.001 0.000 0.265 705 A C 0.466 178.071 177.584 0.035 0.000 1.148 705 A CA -0.233 51.822 52.037 0.029 0.000 0.977 705 A CB 0.218 19.243 19.000 0.042 0.000 1.242 705 A HN 0.490 nan 8.150 nan 0.000 0.591 706 Q N -1.102 118.734 119.800 0.061 0.000 2.227 706 Q HA 0.508 4.848 4.340 0.001 0.000 0.245 706 Q C 1.090 177.126 176.000 0.061 0.000 0.926 706 Q CA 0.375 56.236 55.803 0.097 0.000 0.895 706 Q CB 1.442 30.282 28.738 0.170 0.000 1.230 706 Q HN 0.768 nan 8.270 nan 0.000 0.450 707 G N 1.629 110.463 108.800 0.057 0.000 2.611 707 G HA2 -0.241 3.720 3.960 0.001 0.000 0.208 707 G HA3 -0.241 3.720 3.960 0.001 0.000 0.208 707 G C -0.051 174.844 174.900 -0.007 0.000 1.201 707 G CA -0.319 44.795 45.100 0.023 0.000 0.739 707 G HN 0.460 nan 8.290 nan 0.000 0.528 708 K N 1.882 122.269 120.400 -0.021 0.000 2.180 708 K HA 0.480 4.801 4.320 0.001 0.000 0.251 708 K C -2.455 174.099 176.600 -0.077 0.000 1.014 708 K CA -1.246 55.015 56.287 -0.043 0.000 0.913 708 K CB 0.611 33.085 32.500 -0.043 0.000 1.008 708 K HN 0.188 nan 8.250 nan 0.000 0.490 709 P HA 0.184 nan 4.420 nan 0.000 0.278 709 P C -1.032 176.171 177.300 -0.161 0.000 1.258 709 P CA -0.531 62.501 63.100 -0.113 0.000 0.811 709 P CB 0.837 32.491 31.700 -0.077 0.000 1.063 710 V N 0.951 120.733 119.914 -0.220 0.000 2.769 710 V HA 0.465 4.585 4.120 0.001 0.000 0.312 710 V C -0.723 175.281 176.094 -0.150 0.000 1.061 710 V CA -0.217 61.931 62.300 -0.254 0.000 0.931 710 V CB 1.997 33.497 31.823 -0.538 0.000 1.010 710 V HN 0.534 nan 8.190 nan 0.000 0.433 711 D N 2.868 123.206 120.400 -0.103 0.000 2.542 711 D HA 0.439 5.079 4.640 0.001 0.000 0.252 711 D C 0.153 176.432 176.300 -0.035 0.000 1.222 711 D CA -0.432 53.537 54.000 -0.053 0.000 0.895 711 D CB 1.279 42.054 40.800 -0.042 0.000 1.207 711 D HN 0.527 nan 8.370 nan 0.000 0.558 712 I N 1.257 121.823 120.570 -0.007 0.000 3.816 712 I HA 0.567 4.738 4.170 0.001 0.000 0.334 712 I C 0.930 177.058 176.117 0.018 0.000 1.551 712 I CA -0.502 60.797 61.300 -0.001 0.000 1.153 712 I CB 0.382 38.385 38.000 0.004 0.000 1.197 712 I HN 0.423 nan 8.210 nan 0.000 0.439 713 A N 0.659 123.491 122.820 0.020 0.000 2.829 713 A HA -0.052 4.268 4.320 0.001 0.000 0.267 713 A C 0.879 178.529 177.584 0.110 0.000 1.370 713 A CA 1.174 53.232 52.037 0.035 0.000 0.900 713 A CB -2.016 16.974 19.000 -0.016 0.000 1.044 713 A HN 1.268 nan 8.150 nan 0.000 0.691 714 G N -4.386 104.489 108.800 0.125 0.000 2.450 714 G HA2 0.551 4.511 3.960 0.001 0.000 0.273 714 G HA3 0.551 4.511 3.960 0.001 0.000 0.273 714 G C -0.297 174.717 174.900 0.190 0.000 1.221 714 G CA 0.505 45.718 45.100 0.188 0.000 0.900 714 G HN 1.357 nan 8.290 nan 0.000 0.483 715 Y N -2.205 118.099 120.300 0.005 0.000 3.032 715 Y HA 0.286 4.837 4.550 0.001 0.000 0.232 715 Y C 1.875 177.679 175.900 -0.161 0.000 1.107 715 Y CA 0.479 58.492 58.100 -0.145 0.000 1.355 715 Y CB -0.199 38.064 38.460 -0.328 0.000 1.413 715 Y HN 0.381 nan 8.280 nan 0.000 0.447 716 Y N -0.472 119.862 120.300 0.056 0.000 2.503 716 Y HA 0.206 4.756 4.550 0.001 0.000 0.278 716 Y C 0.905 176.833 175.900 0.046 0.000 1.111 716 Y CA 1.468 59.544 58.100 -0.041 0.000 1.270 716 Y CB 0.408 38.877 38.460 0.015 0.000 1.063 716 Y HN 0.209 nan 8.280 nan 0.000 0.548 717 H N -0.044 119.106 119.070 0.133 0.000 2.695 717 H HA 0.240 4.796 4.556 0.001 0.000 0.222 717 H C -2.773 172.697 175.328 0.238 0.000 1.412 717 H CA -2.346 53.790 56.048 0.147 0.000 1.347 717 H CB 0.605 30.414 29.762 0.078 0.000 1.858 717 H HN 0.006 nan 8.280 nan 0.000 0.519 718 P HA -0.133 nan 4.420 nan 0.000 0.271 718 P C -0.060 177.288 177.300 0.080 0.000 1.228 718 P CA 0.096 63.275 63.100 0.132 0.000 0.797 718 P CB 0.602 32.334 31.700 0.054 0.000 0.914 719 N N 0.870 119.581 118.700 0.018 0.000 2.402 719 N HA -0.015 4.725 4.740 0.001 0.000 0.252 719 N C 1.116 176.638 175.510 0.019 0.000 1.118 719 N CA 0.303 53.338 53.050 -0.025 0.000 0.945 719 N CB 0.397 38.853 38.487 -0.052 0.000 1.147 719 N HN 0.408 nan 8.380 nan 0.000 0.495 720 T N 0.797 115.401 114.554 0.083 0.000 2.737 720 T HA -0.211 4.139 4.350 0.001 0.000 0.269 720 T C 1.298 176.082 174.700 0.140 0.000 1.040 720 T CA 1.255 63.471 62.100 0.193 0.000 1.142 720 T CB -0.079 68.925 68.868 0.227 0.000 0.861 720 T HN 0.455 nan 8.240 nan 0.000 0.456 721 D N 1.000 121.440 120.400 0.067 0.000 2.077 721 D HA -0.064 4.576 4.640 0.001 0.000 0.193 721 D C 2.159 178.470 176.300 0.018 0.000 0.989 721 D CA 1.023 55.049 54.000 0.044 0.000 0.831 721 D CB -0.252 40.558 40.800 0.017 0.000 0.979 721 D HN 0.265 nan 8.370 nan 0.000 0.449 722 L N 0.920 122.138 121.223 -0.007 0.000 2.089 722 L HA -0.190 4.151 4.340 0.001 0.000 0.213 722 L C 2.671 179.516 176.870 -0.041 0.000 1.079 722 L CA 1.579 56.405 54.840 -0.022 0.000 0.758 722 L CB -1.056 40.985 42.059 -0.029 0.000 0.891 722 L HN 0.094 nan 8.230 nan 0.000 0.433 723 T N -1.965 112.530 114.554 -0.099 0.000 2.737 723 T HA -0.143 4.208 4.350 0.001 0.000 0.265 723 T C 2.098 176.671 174.700 -0.211 0.000 1.038 723 T CA 1.505 63.450 62.100 -0.259 0.000 1.144 723 T CB -0.247 68.219 68.868 -0.670 0.000 0.866 723 T HN 0.273 nan 8.240 nan 0.000 0.434 724 S N 1.178 116.850 115.700 -0.046 0.000 2.370 724 S HA -0.087 4.384 4.470 0.001 0.000 0.226 724 S C 2.072 176.711 174.600 0.065 0.000 1.033 724 S CA 1.071 59.340 58.200 0.116 0.000 1.011 724 S CB -0.194 63.115 63.200 0.181 0.000 0.852 724 S HN 0.503 nan 8.310 nan 0.000 0.457 725 K N 1.115 121.538 120.400 0.038 0.000 2.148 725 K HA 0.048 4.369 4.320 0.001 0.000 0.204 725 K C 2.291 178.918 176.600 0.046 0.000 1.050 725 K CA 1.055 57.363 56.287 0.035 0.000 0.942 725 K CB -0.226 32.285 32.500 0.018 0.000 0.724 725 K HN 0.339 nan 8.250 nan 0.000 0.446 726 A N 0.845 123.695 122.820 0.050 0.000 1.930 726 A HA -0.054 4.267 4.320 0.001 0.000 0.215 726 A C 1.985 179.687 177.584 0.197 0.000 1.176 726 A CA 1.023 53.120 52.037 0.101 0.000 0.632 726 A CB -0.102 18.960 19.000 0.103 0.000 0.819 726 A HN 0.094 nan 8.150 nan 0.000 0.445 727 M N -0.550 119.139 119.600 0.147 0.000 2.514 727 M HA 0.129 4.609 4.480 0.001 0.000 0.258 727 M C 0.355 176.731 176.300 0.127 0.000 1.119 727 M CA 0.733 56.111 55.300 0.130 0.000 1.111 727 M CB -0.330 32.306 32.600 0.059 0.000 1.390 727 M HN 0.188 nan 8.290 nan 0.000 0.475 728 R N -0.234 120.329 120.500 0.105 0.000 2.835 728 R HA 0.247 4.587 4.340 0.001 0.000 0.290 728 R C -2.111 174.235 176.300 0.075 0.000 1.410 728 R CA -1.126 55.025 56.100 0.086 0.000 1.590 728 R CB 0.332 30.663 30.300 0.053 0.000 1.288 728 R HN 0.062 nan 8.270 nan 0.000 0.637 729 P HA -0.132 nan 4.420 nan 0.000 0.213 729 P C 0.710 178.048 177.300 0.064 0.000 1.170 729 P CA 1.007 64.148 63.100 0.069 0.000 0.893 729 P CB 0.189 31.933 31.700 0.073 0.000 0.784 730 S N -0.326 115.427 115.700 0.088 0.000 2.643 730 S HA 0.122 4.592 4.470 0.001 0.000 0.329 730 S C 1.314 175.970 174.600 0.092 0.000 1.193 730 S CA 0.067 58.322 58.200 0.091 0.000 1.293 730 S CB -0.793 62.490 63.200 0.140 0.000 1.205 730 S HN 0.145 nan 8.310 nan 0.000 0.550 731 A N 4.237 127.090 122.820 0.055 0.000 2.168 731 A HA 0.016 4.336 4.320 0.001 0.000 0.215 731 A C 2.178 179.792 177.584 0.050 0.000 1.152 731 A CA 1.391 53.452 52.037 0.040 0.000 0.716 731 A CB -0.725 18.289 19.000 0.023 0.000 0.794 731 A HN 0.916 nan 8.150 nan 0.000 0.465 732 T N -4.096 110.498 114.554 0.068 0.000 3.009 732 T HA 0.044 4.395 4.350 0.001 0.000 0.258 732 T C 1.727 176.523 174.700 0.159 0.000 1.063 732 T CA 0.844 62.988 62.100 0.074 0.000 1.139 732 T CB -0.499 68.391 68.868 0.036 0.000 0.890 732 T HN 0.435 nan 8.240 nan 0.000 0.471 733 F N 2.353 122.295 119.950 -0.012 0.000 2.259 733 F HA -0.032 4.496 4.527 0.001 0.000 0.298 733 F C 2.153 177.973 175.800 0.034 0.000 1.088 733 F CA 0.262 58.275 58.000 0.021 0.000 1.358 733 F CB -0.021 38.997 39.000 0.030 0.000 1.040 733 F HN 0.060 nan 8.300 nan 0.000 0.505 734 N N 1.325 120.047 118.700 0.035 0.000 2.080 734 N HA -0.155 4.586 4.740 0.001 0.000 0.189 734 N C 1.900 177.384 175.510 -0.043 0.000 1.036 734 N CA 1.433 54.429 53.050 -0.091 0.000 0.846 734 N CB -0.680 37.776 38.487 -0.052 0.000 1.015 734 N HN 0.327 nan 8.380 nan 0.000 0.423 735 A N 0.555 123.378 122.820 0.006 0.000 2.172 735 A HA 0.173 4.494 4.320 0.001 0.000 0.216 735 A C 1.699 179.289 177.584 0.010 0.000 1.154 735 A CA 1.207 53.245 52.037 0.000 0.000 0.701 735 A CB -0.230 18.775 19.000 0.008 0.000 0.789 735 A HN 0.300 nan 8.150 nan 0.000 0.465 736 A N -1.650 121.202 122.820 0.055 0.000 2.577 736 A HA 0.572 4.892 4.320 0.001 0.000 0.280 736 A C 0.988 178.606 177.584 0.056 0.000 1.331 736 A CA 0.107 52.190 52.037 0.077 0.000 0.935 736 A CB -0.147 18.951 19.000 0.162 0.000 1.082 736 A HN 0.379 nan 8.150 nan 0.000 0.525 737 L N -2.659 118.548 121.223 -0.026 0.000 2.753 737 L HA 0.390 4.731 4.340 0.001 0.000 0.238 737 L C 2.326 179.124 176.870 -0.119 0.000 1.028 737 L CA 1.448 56.237 54.840 -0.085 0.000 0.966 737 L CB -0.672 41.295 42.059 -0.153 0.000 1.681 737 L HN 0.213 nan 8.230 nan 0.000 0.511 738 A N 0.688 123.450 122.820 -0.097 0.000 1.908 738 A HA -0.015 4.306 4.320 0.001 0.000 0.218 738 A C -1.092 176.431 177.584 -0.102 0.000 1.181 738 A CA 1.601 53.582 52.037 -0.093 0.000 0.627 738 A CB -1.949 17.010 19.000 -0.069 0.000 0.818 738 A HN 0.396 nan 8.150 nan 0.000 0.445 739 P HA 0.406 nan 4.420 nan 0.000 0.225 739 P C -0.457 176.759 177.300 -0.140 0.000 1.813 739 P CA -0.361 62.680 63.100 -0.098 0.000 1.013 739 P CB -0.069 31.588 31.700 -0.070 0.000 1.961 740 L N 0.000 121.109 121.223 -0.190 0.000 2.949 740 L HA 0.000 4.340 4.340 0.001 0.000 0.249 740 L CA 0.000 54.663 54.840 -0.295 0.000 0.813 740 L CB 0.000 41.833 42.059 -0.377 0.000 0.961 740 L HN 0.000 nan 8.230 nan 0.000 0.502