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 3hvr_1_B DATA FIRST_RESID 4 DATA SEQUENCE LGKTEVFLNR FALRPLNPEE LRPWRLEVVL DPPPGREEVY PLLAQVARRA DATA SEQUENCE GGVTVRMGDG LASWSPPEVL VLEGTLARMG QTYAYRLYPK GRRPLDPKDP DATA SEQUENCE GERSVLSALA RRLLQERLRR LEGVWVEGLA VYRREHARGP GWRVLGGAVL DATA SEQUENCE DLWVSDSGAF LLEVDPAYRI LCEMSLEAWL AQGHPLPKRV RNAYDRRTWE DATA SEQUENCE LLRLGEEDPK ELPLPXXXSL LDYHASKGRL QGREGGRVAW VADXXXXRKP DATA SEQUENCE IPHLTGLLVP VLTLEXXXXX XXXXXLSLPW EERRRRTREI ASWIGRRLGL DATA SEQUENCE GTPEAVRAQA YRLSIPKLMG RRAVSKPADA LRVGFYRAQE TALALLRLDG DATA SEQUENCE AQGWPEFLRR ALLRAFGASG ASLRLHTLHA HPSQGLAFRE ALRKAKEEGV DATA SEQUENCE QAVLVLTPPM AWEDRNRLKA LLLREGLPSQ ILNVPLREEE RHRWENALLG DATA SEQUENCE LLAKAGLQVV ALSGAYPAEL AVGFDAGXXE SFRFGGAACA VGGDXXHLLW DATA SEQUENCE TLPEAQAGER IPQEVVWDLL EETLWAFRRK AGRLPSRVLL LRDGRVPQDE DATA SEQUENCE FALALEALAR EGIAYDLVSV RKSGGGRVYP VQGRLADGLY VPLEDKTFLL DATA SEQUENCE LTVHXXXXGT PRPLKLVHEA GDTPLEALAH QIFHLTRLYP ASGFAFPRLP DATA SEQUENCE APLHLADRLV KEVGRLGIRH LKEVDREKLF FV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.937 176.870 0.112 0.000 1.165 4 L CA 0.000 54.910 54.840 0.116 0.000 0.813 4 L CB 0.000 42.173 42.059 0.190 0.000 0.961 5 G N 0.850 109.740 108.800 0.150 0.000 3.532 5 G HA2 0.187 4.155 3.960 0.014 0.000 0.272 5 G HA3 0.187 4.155 3.960 0.014 0.000 0.272 5 G C -0.694 174.214 174.900 0.013 0.000 3.843 5 G CA -0.684 44.457 45.100 0.068 0.000 0.482 5 G HN 0.634 nan 8.290 nan 0.000 0.274 6 K N 0.797 121.183 120.400 -0.024 0.000 2.440 6 K HA 0.452 4.780 4.320 0.014 0.000 0.270 6 K C -0.159 176.323 176.600 -0.197 0.000 0.980 6 K CA 0.721 56.876 56.287 -0.221 0.000 0.953 6 K CB 0.537 32.922 32.500 -0.191 0.000 0.925 6 K HN 0.335 nan 8.250 nan 0.000 0.497 7 T N 1.757 116.142 114.554 -0.281 0.000 3.097 7 T HA 0.106 4.464 4.350 0.014 0.000 0.332 7 T C -1.423 173.143 174.700 -0.224 0.000 1.269 7 T CA -0.764 61.217 62.100 -0.198 0.000 1.076 7 T CB 1.647 70.423 68.868 -0.155 0.000 1.209 7 T HN 0.574 nan 8.240 nan 0.000 0.474 8 E N 1.472 121.564 120.200 -0.179 0.000 2.231 8 E HA 0.775 5.133 4.350 0.014 0.000 0.277 8 E C -0.917 175.549 176.600 -0.224 0.000 0.999 8 E CA -0.642 55.650 56.400 -0.180 0.000 0.827 8 E CB 1.139 30.758 29.700 -0.135 0.000 1.101 8 E HN 0.724 nan 8.360 nan 0.000 0.393 9 V N 2.625 122.398 119.914 -0.235 0.000 3.178 9 V HA 0.608 4.736 4.120 0.014 0.000 0.302 9 V C -1.344 174.607 176.094 -0.237 0.000 1.262 9 V CA -1.142 60.954 62.300 -0.339 0.000 1.030 9 V CB 1.502 33.202 31.823 -0.205 0.000 1.074 9 V HN 0.593 nan 8.190 nan 0.000 0.438 10 F N 2.559 122.532 119.950 0.040 0.000 2.508 10 F HA 0.929 5.464 4.527 0.012 0.000 0.325 10 F C -0.485 175.341 175.800 0.042 0.000 1.090 10 F CA -2.486 55.525 58.000 0.018 0.000 0.945 10 F CB 0.612 39.613 39.000 0.003 0.000 1.156 10 F HN 0.475 nan 8.300 nan 0.000 0.463 11 L N 0.759 122.112 121.223 0.217 0.000 2.416 11 L HA 0.542 4.891 4.340 0.014 0.000 0.263 11 L C 0.431 177.331 176.870 0.050 0.000 1.065 11 L CA -0.962 53.942 54.840 0.108 0.000 0.798 11 L CB 0.326 42.408 42.059 0.038 0.000 1.267 11 L HN 0.619 nan 8.230 nan 0.000 0.467 12 N N -0.594 118.148 118.700 0.069 0.000 3.111 12 N HA 0.156 4.904 4.740 0.014 0.000 0.302 12 N C -0.543 174.912 175.510 -0.091 0.000 1.317 12 N CA -0.274 52.810 53.050 0.057 0.000 1.151 12 N CB -0.408 38.238 38.487 0.264 0.000 1.456 12 N HN 0.605 nan 8.380 nan 0.000 0.547 13 R N -0.120 120.180 120.500 -0.333 0.000 2.854 13 R HA 0.597 4.945 4.340 0.014 0.000 0.271 13 R C -1.071 174.815 176.300 -0.691 0.000 0.996 13 R CA -0.736 55.197 56.100 -0.279 0.000 0.961 13 R CB 1.274 31.540 30.300 -0.056 0.000 1.182 13 R HN 0.091 nan 8.270 nan 0.000 0.479 14 F N 0.261 120.167 119.950 -0.073 0.000 2.585 14 F HA 0.415 4.949 4.527 0.012 0.000 0.319 14 F C -0.105 175.644 175.800 -0.085 0.000 1.165 14 F CA -0.889 57.070 58.000 -0.069 0.000 0.949 14 F CB 1.999 40.956 39.000 -0.072 0.000 1.218 14 F HN 0.574 nan 8.300 nan 0.000 0.453 15 A N 4.827 127.697 122.820 0.085 0.000 2.409 15 A HA 0.744 5.072 4.320 0.014 0.000 0.262 15 A C -0.429 177.202 177.584 0.077 0.000 1.113 15 A CA -0.092 51.976 52.037 0.051 0.000 0.790 15 A CB 0.351 19.373 19.000 0.037 0.000 1.046 15 A HN 0.833 nan 8.150 nan 0.000 0.496 16 L N 1.362 122.640 121.223 0.091 0.000 2.343 16 L HA 0.566 4.915 4.340 0.014 0.000 0.264 16 L C 0.966 177.918 176.870 0.137 0.000 1.050 16 L CA -1.324 53.580 54.840 0.106 0.000 0.956 16 L CB 0.708 42.827 42.059 0.099 0.000 1.576 16 L HN 0.971 nan 8.230 nan 0.000 0.521 17 R N 0.405 121.001 120.500 0.161 0.000 2.784 17 R HA 0.209 4.558 4.340 0.014 0.000 0.266 17 R C -2.602 173.774 176.300 0.126 0.000 1.044 17 R CA -1.118 55.060 56.100 0.131 0.000 1.151 17 R CB -0.721 29.646 30.300 0.112 0.000 1.037 17 R HN 0.142 nan 8.270 nan 0.000 0.478 18 P HA 0.036 nan 4.420 nan 0.000 0.271 18 P C -0.756 176.486 177.300 -0.096 0.000 1.218 18 P CA -0.423 62.645 63.100 -0.052 0.000 0.780 18 P CB 0.439 32.117 31.700 -0.036 0.000 0.901 19 L N 3.174 124.257 121.223 -0.233 0.000 2.499 19 L HA 0.053 4.401 4.340 0.014 0.000 0.273 19 L C 1.167 177.957 176.870 -0.134 0.000 1.195 19 L CA 0.571 55.263 54.840 -0.247 0.000 0.882 19 L CB -0.765 41.119 42.059 -0.292 0.000 1.133 19 L HN 0.453 nan 8.230 nan 0.000 0.483 20 N N 4.225 122.851 118.700 -0.123 0.000 2.467 20 N HA 0.225 4.973 4.740 0.014 0.000 0.262 20 N C -2.122 173.325 175.510 -0.105 0.000 1.234 20 N CA -1.435 51.557 53.050 -0.097 0.000 0.952 20 N CB 0.060 38.493 38.487 -0.091 0.000 1.158 20 N HN 0.227 nan 8.380 nan 0.000 0.463 21 P HA -0.212 nan 4.420 nan 0.000 0.218 21 P C 0.741 177.995 177.300 -0.077 0.000 1.152 21 P CA 1.551 64.612 63.100 -0.065 0.000 0.857 21 P CB 0.164 31.833 31.700 -0.051 0.000 0.787 22 E N -0.457 119.690 120.200 -0.089 0.000 2.152 22 E HA -0.132 4.227 4.350 0.014 0.000 0.192 22 E C 1.850 178.380 176.600 -0.117 0.000 0.983 22 E CA 0.907 57.256 56.400 -0.085 0.000 0.818 22 E CB -0.477 29.198 29.700 -0.041 0.000 0.758 22 E HN 0.489 nan 8.360 nan 0.000 0.467 23 E N 0.429 120.486 120.200 -0.238 0.000 2.274 23 E HA -0.026 4.332 4.350 0.014 0.000 0.194 23 E C 1.679 178.331 176.600 0.086 0.000 0.996 23 E CA 0.314 56.479 56.400 -0.392 0.000 0.840 23 E CB 0.073 29.372 29.700 -0.669 0.000 0.772 23 E HN 0.185 nan 8.360 nan 0.000 0.491 24 L N 0.248 121.480 121.223 0.014 0.000 2.592 24 L HA 0.126 4.474 4.340 0.014 0.000 0.227 24 L C 0.766 177.657 176.870 0.034 0.000 1.127 24 L CA 0.235 55.105 54.840 0.050 0.000 0.884 24 L CB 0.153 42.210 42.059 -0.005 0.000 1.065 24 L HN -0.098 nan 8.230 nan 0.000 0.457 25 R N 0.285 120.792 120.500 0.011 0.000 2.738 25 R HA 0.266 4.614 4.340 0.014 0.000 0.280 25 R C -2.481 173.775 176.300 -0.074 0.000 1.456 25 R CA -1.674 54.386 56.100 -0.067 0.000 1.612 25 R CB 0.667 30.864 30.300 -0.172 0.000 1.286 25 R HN -0.072 nan 8.270 nan 0.000 0.660 26 P HA -0.135 nan 4.420 nan 0.000 0.265 26 P C -0.665 176.692 177.300 0.095 0.000 1.187 26 P CA 0.222 63.462 63.100 0.233 0.000 0.766 26 P CB 0.441 32.256 31.700 0.192 0.000 0.820 27 W N 1.366 122.753 121.300 0.144 0.000 2.253 27 W HA 0.443 5.111 4.660 0.013 0.000 0.322 27 W C 1.241 177.801 176.519 0.070 0.000 1.342 27 W CA 0.103 57.505 57.345 0.095 0.000 1.218 27 W CB -0.227 29.289 29.460 0.094 0.000 1.205 27 W HN 0.222 nan 8.180 nan 0.000 0.551 28 R N 2.105 122.755 120.500 0.250 0.000 2.265 28 R HA 0.873 5.222 4.340 0.014 0.000 0.319 28 R C -0.782 175.624 176.300 0.177 0.000 1.006 28 R CA -0.184 56.014 56.100 0.164 0.000 0.880 28 R CB -0.084 30.276 30.300 0.100 0.000 1.077 28 R HN 0.963 nan 8.270 nan 0.000 0.454 29 L N -0.202 121.107 121.223 0.143 0.000 2.341 29 L HA 1.072 5.420 4.340 0.014 0.000 0.267 29 L C 0.406 177.348 176.870 0.120 0.000 1.009 29 L CA -0.615 54.308 54.840 0.138 0.000 0.819 29 L CB 0.974 43.106 42.059 0.122 0.000 1.323 29 L HN 1.296 nan 8.230 nan 0.000 0.425 30 E N 0.289 120.581 120.200 0.152 0.000 2.222 30 E HA 0.802 5.160 4.350 0.014 0.000 0.267 30 E C -0.785 175.923 176.600 0.179 0.000 0.963 30 E CA -0.369 56.115 56.400 0.139 0.000 0.837 30 E CB 1.824 31.598 29.700 0.122 0.000 1.183 30 E HN 1.563 nan 8.360 nan 0.000 0.403 31 V N 0.462 120.459 119.914 0.138 0.000 2.628 31 V HA 0.643 4.772 4.120 0.014 0.000 0.306 31 V C -0.515 175.671 176.094 0.153 0.000 1.045 31 V CA -0.722 61.669 62.300 0.151 0.000 0.905 31 V CB 1.859 33.731 31.823 0.082 0.000 0.997 31 V HN 0.682 nan 8.190 nan 0.000 0.436 32 V N 4.521 124.556 119.914 0.201 0.000 2.558 32 V HA 0.401 4.530 4.120 0.014 0.000 0.261 32 V C 0.169 176.355 176.094 0.154 0.000 0.958 32 V CA -0.322 62.077 62.300 0.165 0.000 0.852 32 V CB 1.149 33.105 31.823 0.222 0.000 1.067 32 V HN 0.840 nan 8.190 nan 0.000 0.468 33 L N 0.433 121.721 121.223 0.109 0.000 2.349 33 L HA 0.920 5.269 4.340 0.014 0.000 0.275 33 L C 0.248 177.179 176.870 0.100 0.000 1.115 33 L CA 0.664 55.571 54.840 0.111 0.000 0.820 33 L CB 0.227 42.301 42.059 0.025 0.000 1.135 33 L HN 0.827 nan 8.230 nan 0.000 0.445 34 D N 2.828 123.313 120.400 0.142 0.000 2.966 34 D HA 0.635 5.283 4.640 0.014 0.000 0.222 34 D C -3.045 173.356 176.300 0.168 0.000 1.292 34 D CA -1.188 52.892 54.000 0.134 0.000 0.907 34 D CB 1.446 42.303 40.800 0.094 0.000 1.621 34 D HN 0.710 nan 8.370 nan 0.000 0.557 35 P HA 0.330 nan 4.420 nan 0.000 0.268 35 P C -2.537 174.887 177.300 0.205 0.000 1.204 35 P CA -0.821 62.389 63.100 0.183 0.000 0.768 35 P CB 0.281 32.088 31.700 0.179 0.000 0.842 36 P HA 0.157 nan 4.420 nan 0.000 0.268 36 P C -2.260 175.043 177.300 0.004 0.000 1.204 36 P CA -0.770 62.347 63.100 0.029 0.000 0.768 36 P CB -0.749 30.965 31.700 0.024 0.000 0.842 37 P HA 0.185 nan 4.420 nan 0.000 0.275 37 P C 0.483 177.753 177.300 -0.050 0.000 1.228 37 P CA -0.104 62.898 63.100 -0.164 0.000 0.786 37 P CB 0.501 32.008 31.700 -0.322 0.000 0.927 38 G N 1.386 110.182 108.800 -0.007 0.000 2.630 38 G HA2 -0.052 3.916 3.960 0.014 0.000 0.236 38 G HA3 -0.052 3.916 3.960 0.014 0.000 0.236 38 G C 0.582 175.473 174.900 -0.014 0.000 1.248 38 G CA -0.595 44.508 45.100 0.004 0.000 0.844 38 G HN 0.445 nan 8.290 nan 0.000 0.588 39 R N 0.539 121.034 120.500 -0.008 0.000 2.421 39 R HA 0.070 4.418 4.340 0.014 0.000 0.208 39 R C 2.020 178.312 176.300 -0.014 0.000 1.103 39 R CA 1.182 57.274 56.100 -0.013 0.000 1.065 39 R CB -0.209 30.087 30.300 -0.008 0.000 0.839 39 R HN 0.720 nan 8.270 nan 0.000 0.480 40 E N 0.958 121.151 120.200 -0.012 0.000 2.256 40 E HA 0.040 4.398 4.350 0.014 0.000 0.198 40 E C 1.114 177.703 176.600 -0.018 0.000 0.908 40 E CA 0.640 57.034 56.400 -0.010 0.000 0.915 40 E CB 0.067 29.767 29.700 -0.000 0.000 0.890 40 E HN 0.491 nan 8.360 nan 0.000 0.484 41 E N 0.631 120.816 120.200 -0.026 0.000 2.280 41 E HA 0.551 4.909 4.350 0.014 0.000 0.279 41 E C 0.922 177.470 176.600 -0.086 0.000 1.325 41 E CA 0.238 56.613 56.400 -0.042 0.000 1.486 41 E CB -0.120 29.566 29.700 -0.023 0.000 1.466 41 E HN 0.287 nan 8.360 nan 0.000 0.473 42 V N -0.500 119.374 119.914 -0.067 0.000 2.721 42 V HA 0.065 4.193 4.120 0.014 0.000 0.236 42 V C 2.690 178.746 176.094 -0.064 0.000 1.116 42 V CA 1.638 63.892 62.300 -0.075 0.000 1.148 42 V CB -0.692 31.098 31.823 -0.056 0.000 0.886 42 V HN 0.857 nan 8.190 nan 0.000 0.490 43 Y N 0.673 120.945 120.300 -0.046 0.000 2.097 43 Y HA -0.157 4.401 4.550 0.014 0.000 0.282 43 Y C 0.571 176.446 175.900 -0.041 0.000 1.152 43 Y CA 2.529 60.605 58.100 -0.040 0.000 1.136 43 Y CB -2.803 35.639 38.460 -0.030 0.000 0.975 43 Y HN 0.461 nan 8.280 nan 0.000 0.498 44 P HA 0.011 nan 4.420 nan 0.000 0.233 44 P C 1.509 178.788 177.300 -0.035 0.000 1.167 44 P CA 1.117 64.200 63.100 -0.029 0.000 0.770 44 P CB 0.080 31.771 31.700 -0.016 0.000 0.837 45 L N -1.249 119.938 121.223 -0.060 0.000 2.356 45 L HA 0.192 4.540 4.340 0.014 0.000 0.193 45 L C 2.027 178.840 176.870 -0.095 0.000 1.087 45 L CA 0.356 55.146 54.840 -0.082 0.000 0.817 45 L CB -0.594 41.370 42.059 -0.159 0.000 1.035 45 L HN -0.196 nan 8.230 nan 0.000 0.482 46 L N 0.222 121.388 121.223 -0.096 0.000 2.351 46 L HA -0.160 4.188 4.340 0.014 0.000 0.220 46 L C 2.111 178.935 176.870 -0.075 0.000 1.127 46 L CA 1.469 56.258 54.840 -0.084 0.000 0.786 46 L CB -0.167 41.854 42.059 -0.064 0.000 0.914 46 L HN 0.328 nan 8.230 nan 0.000 0.443 47 A N -0.489 122.292 122.820 -0.065 0.000 2.081 47 A HA -0.105 4.223 4.320 0.014 0.000 0.214 47 A C 2.169 179.717 177.584 -0.061 0.000 1.158 47 A CA 0.716 52.719 52.037 -0.056 0.000 0.724 47 A CB -0.289 18.686 19.000 -0.042 0.000 0.826 47 A HN 0.714 nan 8.150 nan 0.000 0.463 48 Q N -0.403 119.357 119.800 -0.067 0.000 2.398 48 Q HA 0.063 4.412 4.340 0.014 0.000 0.204 48 Q C 1.058 176.985 176.000 -0.122 0.000 0.932 48 Q CA 1.214 56.975 55.803 -0.070 0.000 0.916 48 Q CB -0.135 28.576 28.738 -0.045 0.000 1.024 48 Q HN 0.238 nan 8.270 nan 0.000 0.504 49 V N 1.160 120.975 119.914 -0.164 0.000 2.719 49 V HA -0.116 4.012 4.120 0.014 0.000 0.252 49 V C 2.444 178.407 176.094 -0.219 0.000 1.065 49 V CA 1.470 63.595 62.300 -0.291 0.000 1.086 49 V CB -0.546 31.095 31.823 -0.303 0.000 0.700 49 V HN 0.543 nan 8.190 nan 0.000 0.467 50 A N 0.648 123.393 122.820 -0.124 0.000 1.898 50 A HA -0.187 4.141 4.320 0.014 0.000 0.216 50 A C 2.542 180.086 177.584 -0.066 0.000 1.181 50 A CA 2.215 54.205 52.037 -0.078 0.000 0.620 50 A CB -0.597 18.369 19.000 -0.057 0.000 0.819 50 A HN 0.496 nan 8.150 nan 0.000 0.442 51 R N -0.103 120.357 120.500 -0.067 0.000 2.092 51 R HA -0.050 4.298 4.340 0.014 0.000 0.231 51 R C 2.219 178.493 176.300 -0.044 0.000 1.119 51 R CA 1.962 58.036 56.100 -0.043 0.000 0.970 51 R CB -0.928 29.352 30.300 -0.034 0.000 0.864 51 R HN 0.555 nan 8.270 nan 0.000 0.440 52 R N 0.437 120.886 120.500 -0.084 0.000 2.115 52 R HA 0.146 4.495 4.340 0.014 0.000 0.230 52 R C 2.391 178.672 176.300 -0.031 0.000 1.111 52 R CA 1.537 57.592 56.100 -0.074 0.000 0.976 52 R CB -0.746 29.457 30.300 -0.162 0.000 0.870 52 R HN 0.461 nan 8.270 nan 0.000 0.445 53 A N -0.156 122.628 122.820 -0.059 0.000 2.076 53 A HA 0.179 4.507 4.320 0.014 0.000 0.220 53 A C 1.212 178.814 177.584 0.030 0.000 1.160 53 A CA 1.241 53.290 52.037 0.019 0.000 0.653 53 A CB -1.039 17.963 19.000 0.003 0.000 0.801 53 A HN 0.688 nan 8.150 nan 0.000 0.455 54 G N -2.786 106.022 108.800 0.014 0.000 2.782 54 G HA2 0.370 4.338 3.960 0.014 0.000 0.228 54 G HA3 0.370 4.338 3.960 0.014 0.000 0.228 54 G C 1.012 175.924 174.900 0.020 0.000 1.372 54 G CA 0.154 45.265 45.100 0.018 0.000 0.862 54 G HN 2.458 nan 8.290 nan 0.000 0.547 55 G N -2.612 106.203 108.800 0.026 0.000 2.740 55 G HA2 0.165 4.133 3.960 0.014 0.000 0.250 55 G HA3 0.165 4.133 3.960 0.014 0.000 0.250 55 G C 0.253 175.188 174.900 0.058 0.000 1.358 55 G CA 0.466 45.592 45.100 0.042 0.000 0.897 55 G HN 2.063 nan 8.290 nan 0.000 0.567 56 V N 2.253 122.228 119.914 0.103 0.000 2.222 56 V HA 0.524 4.652 4.120 0.014 0.000 0.253 56 V C 1.018 177.148 176.094 0.061 0.000 1.210 56 V CA 0.686 63.052 62.300 0.110 0.000 1.079 56 V CB -0.399 31.567 31.823 0.239 0.000 1.265 56 V HN 1.261 nan 8.190 nan 0.000 0.494 57 T N 1.306 115.867 114.554 0.012 0.000 2.908 57 T HA 0.884 5.242 4.350 0.014 0.000 0.290 57 T C -0.690 173.981 174.700 -0.049 0.000 1.034 57 T CA -0.643 61.448 62.100 -0.015 0.000 1.010 57 T CB 2.344 71.218 68.868 0.009 0.000 1.068 57 T HN 0.139 nan 8.240 nan 0.000 0.481 58 V N -0.390 119.483 119.914 -0.067 0.000 3.182 58 V HA 0.911 5.039 4.120 0.014 0.000 0.308 58 V C 0.550 176.613 176.094 -0.052 0.000 1.240 58 V CA -1.402 60.856 62.300 -0.070 0.000 1.063 58 V CB 1.513 33.274 31.823 -0.103 0.000 1.076 58 V HN 1.344 nan 8.190 nan 0.000 0.446 59 R N 0.664 121.136 120.500 -0.047 0.000 2.491 59 R HA 0.731 5.079 4.340 0.014 0.000 0.283 59 R C -0.436 175.845 176.300 -0.033 0.000 1.072 59 R CA 0.176 56.255 56.100 -0.036 0.000 1.048 59 R CB 0.080 30.358 30.300 -0.036 0.000 0.983 59 R HN 0.877 nan 8.270 nan 0.000 0.450 60 M N 2.994 122.582 119.600 -0.019 0.000 2.236 60 M HA 0.444 4.932 4.480 0.014 0.000 0.228 60 M C 0.756 177.052 176.300 -0.008 0.000 0.906 60 M CA 0.902 56.193 55.300 -0.014 0.000 0.761 60 M CB 0.709 33.307 32.600 -0.002 0.000 1.439 60 M HN 1.452 nan 8.290 nan 0.000 0.394 61 G N 2.277 111.070 108.800 -0.013 0.000 2.561 61 G HA2 -0.315 3.653 3.960 0.014 0.000 0.289 61 G HA3 -0.315 3.653 3.960 0.014 0.000 0.289 61 G C 0.130 175.023 174.900 -0.011 0.000 1.169 61 G CA 0.474 45.568 45.100 -0.011 0.000 0.980 61 G HN 0.575 nan 8.290 nan 0.000 0.550 62 D N 2.339 122.735 120.400 -0.007 0.000 2.325 62 D HA 0.468 5.116 4.640 0.014 0.000 0.225 62 D C 1.048 177.349 176.300 0.002 0.000 1.096 62 D CA 1.379 55.375 54.000 -0.007 0.000 0.844 62 D CB 0.199 40.995 40.800 -0.007 0.000 0.925 62 D HN 0.736 nan 8.370 nan 0.000 0.513 63 G N -0.868 107.936 108.800 0.007 0.000 3.166 63 G HA2 0.719 4.687 3.960 0.014 0.000 0.267 63 G HA3 0.719 4.687 3.960 0.014 0.000 0.267 63 G C -1.294 173.616 174.900 0.017 0.000 1.256 63 G CA -0.599 44.514 45.100 0.022 0.000 0.859 63 G HN 0.076 nan 8.290 nan 0.000 0.590 64 L N -0.034 121.209 121.223 0.034 0.000 2.401 64 L HA 0.737 5.086 4.340 0.014 0.000 0.266 64 L C -0.264 176.632 176.870 0.043 0.000 0.991 64 L CA -1.066 53.790 54.840 0.027 0.000 0.818 64 L CB 2.389 44.467 42.059 0.032 0.000 1.321 64 L HN 0.674 nan 8.230 nan 0.000 0.413 65 A N 1.678 124.509 122.820 0.019 0.000 2.318 65 A HA 0.760 5.089 4.320 0.014 0.000 0.317 65 A C -0.698 176.901 177.584 0.024 0.000 1.159 65 A CA -0.415 51.641 52.037 0.031 0.000 0.799 65 A CB 1.802 20.791 19.000 -0.019 0.000 1.194 65 A HN 0.536 nan 8.150 nan 0.000 0.479 66 S N 1.182 116.963 115.700 0.135 0.000 2.536 66 S HA 0.608 5.087 4.470 0.014 0.000 0.298 66 S C -0.813 174.023 174.600 0.394 0.000 1.083 66 S CA -0.331 57.976 58.200 0.178 0.000 0.995 66 S CB 0.649 63.953 63.200 0.173 0.000 1.058 66 S HN 0.685 nan 8.310 nan 0.000 0.488 67 W N 2.471 123.883 121.300 0.187 0.000 3.223 67 W HA 0.451 5.119 4.660 0.014 0.000 0.389 67 W C -0.053 176.580 176.519 0.191 0.000 1.118 67 W CA -0.791 56.687 57.345 0.222 0.000 1.902 67 W CB -0.654 28.899 29.460 0.156 0.000 1.094 67 W HN 0.494 nan 8.180 nan 0.000 0.666 68 S N 1.447 117.318 115.700 0.285 0.000 2.538 68 S HA 0.409 4.888 4.470 0.014 0.000 0.288 68 S C -2.548 171.799 174.600 -0.422 0.000 1.108 68 S CA -1.218 56.988 58.200 0.010 0.000 0.971 68 S CB 2.458 65.665 63.200 0.011 0.000 1.041 68 S HN -0.227 nan 8.310 nan 0.000 0.483 69 P HA 0.089 nan 4.420 nan 0.000 0.262 69 P C -2.174 174.739 177.300 -0.644 0.000 1.182 69 P CA -0.815 61.598 63.100 -1.145 0.000 0.761 69 P CB -0.163 31.149 31.700 -0.647 0.000 0.795 70 P HA -0.204 nan 4.420 nan 0.000 0.217 70 P C 1.165 178.350 177.300 -0.192 0.000 1.148 70 P CA 1.649 64.585 63.100 -0.273 0.000 0.834 70 P CB 0.002 31.589 31.700 -0.189 0.000 0.783 71 E N -1.042 119.030 120.200 -0.214 0.000 2.208 71 E HA -0.076 4.282 4.350 0.014 0.000 0.193 71 E C 1.438 177.974 176.600 -0.107 0.000 0.988 71 E CA 0.773 57.093 56.400 -0.134 0.000 0.828 71 E CB -0.612 29.016 29.700 -0.119 0.000 0.763 71 E HN 0.225 nan 8.360 nan 0.000 0.478 72 V N -1.286 118.553 119.914 -0.125 0.000 3.331 72 V HA 0.299 4.427 4.120 0.014 0.000 0.332 72 V C 0.236 176.293 176.094 -0.062 0.000 1.341 72 V CA -0.177 62.073 62.300 -0.082 0.000 1.218 72 V CB -0.784 30.992 31.823 -0.078 0.000 1.152 72 V HN -0.020 nan 8.190 nan 0.000 0.445 73 L N -0.132 121.052 121.223 -0.066 0.000 2.322 73 L HA 0.560 4.908 4.340 0.014 0.000 0.269 73 L C -0.100 176.763 176.870 -0.012 0.000 1.012 73 L CA -1.101 53.721 54.840 -0.031 0.000 0.815 73 L CB 2.382 44.422 42.059 -0.032 0.000 1.295 73 L HN -0.074 nan 8.230 nan 0.000 0.438 74 V N 3.738 123.668 119.914 0.026 0.000 2.229 74 V HA 0.041 4.170 4.120 0.014 0.000 0.245 74 V C 1.296 177.436 176.094 0.078 0.000 1.243 74 V CA 0.029 62.357 62.300 0.047 0.000 1.176 74 V CB -0.136 31.743 31.823 0.093 0.000 1.323 74 V HN 0.629 nan 8.190 nan 0.000 0.499 75 L N 1.971 123.192 121.223 -0.004 0.000 2.465 75 L HA 0.106 4.455 4.340 0.014 0.000 0.224 75 L C 0.929 177.713 176.870 -0.145 0.000 1.145 75 L CA 1.129 55.949 54.840 -0.032 0.000 0.834 75 L CB -0.062 41.937 42.059 -0.099 0.000 0.944 75 L HN 0.615 nan 8.230 nan 0.000 0.451 76 E N -1.362 118.697 120.200 -0.235 0.000 2.343 76 E HA 0.660 5.018 4.350 0.014 0.000 0.270 76 E C -0.241 175.991 176.600 -0.614 0.000 0.895 76 E CA -0.286 55.816 56.400 -0.497 0.000 0.767 76 E CB 2.463 31.978 29.700 -0.308 0.000 1.248 76 E HN 0.038 nan 8.360 nan 0.000 0.440 77 G N 0.165 108.363 108.800 -1.003 0.000 2.435 77 G HA2 0.400 4.368 3.960 0.014 0.000 0.228 77 G HA3 0.400 4.368 3.960 0.014 0.000 0.228 77 G C -1.336 173.416 174.900 -0.247 0.000 1.198 77 G CA -0.038 44.783 45.100 -0.465 0.000 0.948 77 G HN 0.461 nan 8.290 nan 0.000 0.487 78 T N -1.692 113.014 114.554 0.255 0.000 3.705 78 T HA 0.685 5.044 4.350 0.014 0.000 0.342 78 T C -0.569 174.294 174.700 0.272 0.000 1.043 78 T CA 0.664 62.924 62.100 0.266 0.000 1.071 78 T CB -0.001 68.927 68.868 0.101 0.000 1.124 78 T HN 2.040 nan 8.240 nan 0.000 0.467 79 L N 2.597 123.986 121.223 0.277 0.000 2.387 79 L HA 1.084 5.433 4.340 0.014 0.000 0.266 79 L C 0.509 177.463 176.870 0.140 0.000 1.059 79 L CA -0.700 54.240 54.840 0.166 0.000 0.801 79 L CB 0.563 42.693 42.059 0.119 0.000 1.223 79 L HN 1.320 nan 8.230 nan 0.000 0.456 80 A N 0.961 123.838 122.820 0.096 0.000 2.385 80 A HA 0.871 5.200 4.320 0.014 0.000 0.290 80 A C -0.031 177.592 177.584 0.065 0.000 1.094 80 A CA 0.038 52.101 52.037 0.043 0.000 0.729 80 A CB 0.819 19.824 19.000 0.008 0.000 1.194 80 A HN 2.336 nan 8.150 nan 0.000 0.442 81 R N 1.734 122.291 120.500 0.094 0.000 2.358 81 R HA 0.827 5.176 4.340 0.014 0.000 0.309 81 R C 0.452 176.796 176.300 0.073 0.000 1.026 81 R CA 0.450 56.621 56.100 0.118 0.000 0.909 81 R CB 0.097 30.524 30.300 0.211 0.000 1.153 81 R HN 2.735 nan 8.270 nan 0.000 0.515 82 M N 0.367 119.988 119.600 0.035 0.000 2.347 82 M HA 0.107 4.596 4.480 0.014 0.000 0.198 82 M C 1.553 177.850 176.300 -0.005 0.000 0.549 82 M CA 1.926 57.238 55.300 0.020 0.000 0.481 82 M CB -2.565 30.056 32.600 0.035 0.000 1.393 82 M HN 2.933 nan 8.290 nan 0.000 0.905 83 G N -3.304 105.481 108.800 -0.025 0.000 3.586 83 G HA2 0.445 4.414 3.960 0.014 0.000 0.212 83 G HA3 0.445 4.414 3.960 0.014 0.000 0.212 83 G C 1.018 175.857 174.900 -0.102 0.000 1.411 83 G CA 1.403 46.475 45.100 -0.046 0.000 0.898 83 G HN 3.042 nan 8.290 nan 0.000 0.575 84 Q N 1.169 120.874 119.800 -0.159 0.000 2.289 84 Q HA 0.555 4.903 4.340 0.014 0.000 0.273 84 Q C 0.681 176.380 176.000 -0.501 0.000 1.029 84 Q CA 1.276 56.876 55.803 -0.337 0.000 0.896 84 Q CB -0.080 28.403 28.738 -0.425 0.000 1.182 84 Q HN 2.117 nan 8.270 nan 0.000 0.385 85 T N 0.536 114.848 114.554 -0.402 0.000 2.853 85 T HA 0.582 4.940 4.350 0.014 0.000 0.317 85 T C -0.582 173.964 174.700 -0.257 0.000 1.059 85 T CA -0.570 61.365 62.100 -0.276 0.000 0.954 85 T CB -0.465 68.343 68.868 -0.100 0.000 0.994 85 T HN 0.460 nan 8.240 nan 0.000 0.479 86 Y N 2.198 122.530 120.300 0.053 0.000 2.309 86 Y HA 0.562 5.121 4.550 0.013 0.000 0.327 86 Y C 0.798 176.760 175.900 0.104 0.000 1.172 86 Y CA -1.141 56.999 58.100 0.068 0.000 1.280 86 Y CB 0.812 39.312 38.460 0.067 0.000 1.234 86 Y HN 0.877 nan 8.280 nan 0.000 0.512 87 A N 3.671 126.634 122.820 0.238 0.000 2.276 87 A HA 0.618 4.946 4.320 0.014 0.000 0.316 87 A C -1.164 176.537 177.584 0.195 0.000 1.229 87 A CA -0.627 51.512 52.037 0.171 0.000 0.851 87 A CB -0.171 18.870 19.000 0.069 0.000 1.165 87 A HN 0.740 nan 8.150 nan 0.000 0.513 88 Y N 0.726 121.065 120.300 0.066 0.000 2.602 88 Y HA 0.898 5.456 4.550 0.014 0.000 0.330 88 Y C -0.210 175.706 175.900 0.026 0.000 1.114 88 Y CA -1.747 56.384 58.100 0.052 0.000 1.182 88 Y CB 1.297 39.782 38.460 0.042 0.000 1.305 88 Y HN 0.614 nan 8.280 nan 0.000 0.502 89 R N 2.340 122.901 120.500 0.101 0.000 3.009 89 R HA 0.348 4.696 4.340 0.014 0.000 0.278 89 R C -2.498 173.813 176.300 0.019 0.000 1.515 89 R CA -0.350 55.708 56.100 -0.072 0.000 1.055 89 R CB -0.011 30.240 30.300 -0.082 0.000 1.345 89 R HN 0.719 nan 8.270 nan 0.000 0.421 90 L N 4.056 125.294 121.223 0.026 0.000 2.439 90 L HA 0.326 4.674 4.340 0.014 0.000 0.269 90 L C -0.232 176.548 176.870 -0.150 0.000 1.179 90 L CA 0.142 55.015 54.840 0.055 0.000 0.828 90 L CB -0.110 42.004 42.059 0.092 0.000 1.106 90 L HN 0.590 nan 8.230 nan 0.000 0.467 91 Y N 1.279 121.614 120.300 0.060 0.000 2.331 91 Y HA 0.459 5.017 4.550 0.014 0.000 0.334 91 Y C -1.610 174.326 175.900 0.060 0.000 0.960 91 Y CA -1.328 56.801 58.100 0.049 0.000 1.130 91 Y CB 1.260 39.746 38.460 0.042 0.000 1.164 91 Y HN 0.559 nan 8.280 nan 0.000 0.458 92 P HA 0.393 nan 4.420 nan 0.000 0.267 92 P C -0.438 176.973 177.300 0.185 0.000 1.205 92 P CA 0.167 63.363 63.100 0.160 0.000 0.765 92 P CB 0.232 32.005 31.700 0.122 0.000 0.828 93 K N 2.508 123.015 120.400 0.178 0.000 3.394 93 K HA 0.640 4.969 4.320 0.014 0.000 0.175 93 K C 0.655 177.332 176.600 0.128 0.000 1.047 93 K CA 0.623 56.993 56.287 0.139 0.000 0.814 93 K CB 0.036 32.605 32.500 0.115 0.000 0.803 93 K HN 1.638 nan 8.250 nan 0.000 0.522 94 G N 0.861 109.753 108.800 0.154 0.000 2.681 94 G HA2 -0.128 3.841 3.960 0.014 0.000 0.220 94 G HA3 -0.128 3.841 3.960 0.014 0.000 0.220 94 G C -0.583 174.366 174.900 0.082 0.000 1.353 94 G CA -0.302 44.861 45.100 0.105 0.000 0.872 94 G HN 0.900 nan 8.290 nan 0.000 0.557 95 R N -0.753 119.720 120.500 -0.045 0.000 2.604 95 R HA 0.799 5.147 4.340 0.014 0.000 0.281 95 R C -0.053 176.190 176.300 -0.094 0.000 1.020 95 R CA -0.220 55.797 56.100 -0.138 0.000 0.899 95 R CB 1.835 31.868 30.300 -0.446 0.000 1.205 95 R HN 1.158 nan 8.270 nan 0.000 0.450 96 R N 2.329 122.796 120.500 -0.055 0.000 2.393 96 R HA 0.477 4.825 4.340 0.014 0.000 0.315 96 R C -2.832 173.451 176.300 -0.028 0.000 0.952 96 R CA -2.075 54.005 56.100 -0.033 0.000 0.842 96 R CB 0.377 30.674 30.300 -0.005 0.000 1.163 96 R HN 0.369 nan 8.270 nan 0.000 0.450 97 P HA 0.205 nan 4.420 nan 0.000 0.266 97 P C -0.843 176.457 177.300 0.000 0.000 1.215 97 P CA -0.291 62.796 63.100 -0.021 0.000 0.763 97 P CB 0.686 32.369 31.700 -0.029 0.000 0.806 98 L N 3.832 125.067 121.223 0.020 0.000 2.344 98 L HA 0.491 4.840 4.340 0.014 0.000 0.272 98 L C 0.343 177.226 176.870 0.022 0.000 1.035 98 L CA -0.021 54.835 54.840 0.026 0.000 0.807 98 L CB 1.128 43.214 42.059 0.046 0.000 1.237 98 L HN 0.252 nan 8.230 nan 0.000 0.442 99 D N 2.213 122.623 120.400 0.017 0.000 2.471 99 D HA 0.409 5.057 4.640 0.014 0.000 0.245 99 D C -2.054 174.255 176.300 0.016 0.000 1.116 99 D CA -1.972 52.035 54.000 0.012 0.000 0.853 99 D CB 2.143 42.946 40.800 0.006 0.000 1.123 99 D HN 0.131 nan 8.370 nan 0.000 0.540 100 P HA -0.188 nan 4.420 nan 0.000 0.217 100 P C 1.075 178.388 177.300 0.022 0.000 1.148 100 P CA 1.115 64.228 63.100 0.022 0.000 0.828 100 P CB 0.298 32.006 31.700 0.014 0.000 0.783 101 K N -0.127 120.282 120.400 0.015 0.000 1.978 101 K HA -0.121 4.207 4.320 0.014 0.000 0.214 101 K C 0.962 177.570 176.600 0.013 0.000 1.049 101 K CA 0.939 57.234 56.287 0.014 0.000 0.939 101 K CB -1.656 30.849 32.500 0.009 0.000 0.721 101 K HN 0.242 nan 8.250 nan 0.000 0.441 102 D N 2.525 122.930 120.400 0.010 0.000 2.402 102 D HA -0.023 4.626 4.640 0.014 0.000 0.268 102 D C -1.811 174.494 176.300 0.008 0.000 1.294 102 D CA -1.271 52.733 54.000 0.007 0.000 0.945 102 D CB 1.040 41.843 40.800 0.005 0.000 1.112 102 D HN -0.096 nan 8.370 nan 0.000 0.517 103 P HA -0.053 nan 4.420 nan 0.000 0.223 103 P C 1.130 178.429 177.300 -0.001 0.000 1.144 103 P CA 0.705 63.807 63.100 0.003 0.000 0.783 103 P CB 0.254 31.953 31.700 -0.002 0.000 0.771 104 G N -0.534 108.265 108.800 -0.002 0.000 2.492 104 G HA2 -0.118 3.850 3.960 0.014 0.000 0.214 104 G HA3 -0.118 3.850 3.960 0.014 0.000 0.214 104 G C 1.406 176.305 174.900 -0.003 0.000 1.147 104 G CA 0.188 45.285 45.100 -0.005 0.000 0.809 104 G HN 0.248 nan 8.290 nan 0.000 0.533 105 E N -0.112 120.089 120.200 0.003 0.000 2.122 105 E HA 0.027 4.385 4.350 0.014 0.000 0.190 105 E C 2.416 179.023 176.600 0.013 0.000 0.977 105 E CA 0.090 56.493 56.400 0.006 0.000 0.820 105 E CB -0.017 29.689 29.700 0.009 0.000 0.770 105 E HN 0.344 nan 8.360 nan 0.000 0.462 106 R N 1.383 121.894 120.500 0.018 0.000 2.127 106 R HA -0.151 4.197 4.340 0.014 0.000 0.238 106 R C 2.221 178.540 176.300 0.030 0.000 1.134 106 R CA 1.863 57.983 56.100 0.033 0.000 0.975 106 R CB -0.191 30.133 30.300 0.040 0.000 0.865 106 R HN 0.137 nan 8.270 nan 0.000 0.447 107 S N 0.250 115.956 115.700 0.010 0.000 2.368 107 S HA -0.156 4.323 4.470 0.014 0.000 0.225 107 S C 2.067 176.661 174.600 -0.010 0.000 1.030 107 S CA 1.249 59.447 58.200 -0.002 0.000 0.999 107 S CB -0.871 62.319 63.200 -0.017 0.000 0.844 107 S HN 0.286 nan 8.310 nan 0.000 0.459 108 V N 1.802 121.704 119.914 -0.020 0.000 2.626 108 V HA 0.032 4.160 4.120 0.014 0.000 0.252 108 V C 2.045 178.087 176.094 -0.086 0.000 1.067 108 V CA 1.215 63.485 62.300 -0.050 0.000 1.081 108 V CB -0.673 31.125 31.823 -0.043 0.000 0.686 108 V HN 0.577 nan 8.190 nan 0.000 0.468 109 L N -0.110 121.093 121.223 -0.033 0.000 2.027 109 L HA -0.113 4.236 4.340 0.014 0.000 0.206 109 L C 2.780 179.639 176.870 -0.019 0.000 1.074 109 L CA 1.952 56.781 54.840 -0.018 0.000 0.745 109 L CB -0.889 41.225 42.059 0.092 0.000 0.898 109 L HN 0.334 nan 8.230 nan 0.000 0.433 110 S N 0.089 115.826 115.700 0.061 0.000 2.374 110 S HA -0.244 4.234 4.470 0.014 0.000 0.227 110 S C 2.177 176.816 174.600 0.065 0.000 1.037 110 S CA 1.367 59.650 58.200 0.139 0.000 1.024 110 S CB -0.363 62.934 63.200 0.161 0.000 0.861 110 S HN 0.514 nan 8.310 nan 0.000 0.456 111 A N 1.586 124.392 122.820 -0.023 0.000 1.865 111 A HA -0.096 4.232 4.320 0.014 0.000 0.217 111 A C 2.128 179.635 177.584 -0.127 0.000 1.191 111 A CA 1.486 53.489 52.037 -0.057 0.000 0.623 111 A CB -0.904 18.049 19.000 -0.079 0.000 0.826 111 A HN 0.472 nan 8.150 nan 0.000 0.444 112 L N -0.839 120.197 121.223 -0.313 0.000 2.079 112 L HA -0.240 4.108 4.340 0.014 0.000 0.210 112 L C 3.051 179.727 176.870 -0.323 0.000 1.081 112 L CA 1.115 55.604 54.840 -0.585 0.000 0.752 112 L CB -0.582 40.567 42.059 -1.516 0.000 0.896 112 L HN 0.464 nan 8.230 nan 0.000 0.433 113 A N 0.407 123.181 122.820 -0.076 0.000 1.898 113 A HA -0.182 4.146 4.320 0.014 0.000 0.216 113 A C 2.714 180.414 177.584 0.194 0.000 1.181 113 A CA 1.907 54.127 52.037 0.305 0.000 0.620 113 A CB -0.722 18.575 19.000 0.495 0.000 0.819 113 A HN 0.389 nan 8.150 nan 0.000 0.442 114 R N -0.356 120.222 120.500 0.129 0.000 2.148 114 R HA -0.008 4.341 4.340 0.014 0.000 0.227 114 R C 2.147 178.487 176.300 0.066 0.000 1.103 114 R CA 1.477 57.640 56.100 0.105 0.000 0.983 114 R CB -0.872 29.486 30.300 0.096 0.000 0.874 114 R HN 0.510 nan 8.270 nan 0.000 0.451 115 R N 0.093 120.618 120.500 0.043 0.000 2.057 115 R HA 0.086 4.435 4.340 0.014 0.000 0.229 115 R C 2.378 178.724 176.300 0.075 0.000 1.136 115 R CA 1.279 57.402 56.100 0.037 0.000 0.952 115 R CB -0.989 29.311 30.300 -0.001 0.000 0.848 115 R HN 0.517 nan 8.270 nan 0.000 0.430 116 L N 1.220 122.525 121.223 0.137 0.000 2.021 116 L HA -0.242 4.106 4.340 0.014 0.000 0.215 116 L C 2.304 179.216 176.870 0.069 0.000 1.074 116 L CA 1.488 56.426 54.840 0.163 0.000 0.760 116 L CB -0.391 41.850 42.059 0.303 0.000 0.889 116 L HN 0.122 nan 8.230 nan 0.000 0.433 117 L N -0.116 121.138 121.223 0.052 0.000 2.042 117 L HA -0.270 4.079 4.340 0.014 0.000 0.210 117 L C 2.484 179.370 176.870 0.026 0.000 1.076 117 L CA 1.881 56.730 54.840 0.016 0.000 0.749 117 L CB -0.592 41.480 42.059 0.023 0.000 0.893 117 L HN 0.400 nan 8.230 nan 0.000 0.432 118 Q N -0.996 118.827 119.800 0.038 0.000 2.020 118 Q HA -0.166 4.183 4.340 0.014 0.000 0.198 118 Q C 2.127 178.148 176.000 0.035 0.000 0.974 118 Q CA 1.519 57.342 55.803 0.034 0.000 0.829 118 Q CB -0.163 28.595 28.738 0.033 0.000 0.894 118 Q HN 0.464 nan 8.270 nan 0.000 0.433 119 E N 0.715 120.939 120.200 0.039 0.000 2.085 119 E HA -0.166 4.193 4.350 0.014 0.000 0.194 119 E C 1.918 178.536 176.600 0.031 0.000 0.994 119 E CA 1.112 57.535 56.400 0.038 0.000 0.801 119 E CB -0.097 29.633 29.700 0.050 0.000 0.743 119 E HN 0.273 nan 8.360 nan 0.000 0.453 120 R N 0.054 120.569 120.500 0.025 0.000 2.189 120 R HA 0.061 4.409 4.340 0.014 0.000 0.218 120 R C 2.490 178.796 176.300 0.011 0.000 1.074 120 R CA 0.366 56.469 56.100 0.006 0.000 0.991 120 R CB -0.061 30.229 30.300 -0.017 0.000 0.883 120 R HN 0.163 nan 8.270 nan 0.000 0.457 121 L N -0.233 121.006 121.223 0.028 0.000 2.131 121 L HA -0.089 4.259 4.340 0.014 0.000 0.206 121 L C 3.123 180.026 176.870 0.055 0.000 1.087 121 L CA 1.163 56.034 54.840 0.052 0.000 0.767 121 L CB -0.558 41.533 42.059 0.055 0.000 0.917 121 L HN 0.168 nan 8.230 nan 0.000 0.441 122 R N 1.611 122.137 120.500 0.043 0.000 2.159 122 R HA -0.163 4.186 4.340 0.014 0.000 0.237 122 R C 2.012 178.336 176.300 0.040 0.000 1.131 122 R CA 1.778 57.903 56.100 0.042 0.000 0.982 122 R CB -1.302 29.018 30.300 0.035 0.000 0.868 122 R HN 0.656 nan 8.270 nan 0.000 0.453 123 R N 0.097 120.617 120.500 0.033 0.000 2.515 123 R HA 0.363 4.712 4.340 0.014 0.000 0.294 123 R C -0.280 176.035 176.300 0.025 0.000 1.021 123 R CA -0.381 55.735 56.100 0.026 0.000 1.081 123 R CB -0.328 29.981 30.300 0.016 0.000 1.263 123 R HN 0.326 nan 8.270 nan 0.000 0.557 124 L N 1.223 122.473 121.223 0.045 0.000 2.421 124 L HA 0.211 4.559 4.340 0.014 0.000 0.263 124 L C 0.415 177.326 176.870 0.068 0.000 1.122 124 L CA -0.510 54.364 54.840 0.057 0.000 0.804 124 L CB 1.349 43.478 42.059 0.117 0.000 1.150 124 L HN 0.167 nan 8.230 nan 0.000 0.457 125 E N 0.733 120.972 120.200 0.066 0.000 2.445 125 E HA 0.091 4.449 4.350 0.014 0.000 0.189 125 E C 1.021 177.678 176.600 0.095 0.000 1.069 125 E CA 0.086 56.525 56.400 0.064 0.000 0.871 125 E CB 0.269 29.995 29.700 0.044 0.000 0.991 125 E HN 0.760 nan 8.360 nan 0.000 0.481 126 G N 0.467 109.352 108.800 0.142 0.000 3.107 126 G HA2 0.342 4.310 3.960 0.014 0.000 0.155 126 G HA3 0.342 4.310 3.960 0.014 0.000 0.155 126 G C 0.774 175.737 174.900 0.105 0.000 1.875 126 G CA 0.517 45.716 45.100 0.165 0.000 1.004 126 G HN 0.255 nan 8.290 nan 0.000 0.480 127 V N -2.488 117.482 119.914 0.092 0.000 5.502 127 V HA 0.687 4.815 4.120 0.014 0.000 0.283 127 V C 0.773 176.924 176.094 0.094 0.000 1.523 127 V CA -0.247 62.102 62.300 0.081 0.000 0.749 127 V CB -0.330 31.538 31.823 0.076 0.000 1.393 127 V HN 1.150 nan 8.190 nan 0.000 0.425 128 W N -0.778 120.596 121.300 0.124 0.000 2.190 128 W HA 0.524 5.193 4.660 0.014 0.000 0.330 128 W C -0.303 176.311 176.519 0.158 0.000 1.299 128 W CA 0.145 57.576 57.345 0.145 0.000 1.215 128 W CB 0.110 29.666 29.460 0.160 0.000 1.147 128 W HN 0.776 nan 8.180 nan 0.000 0.563 129 V N 3.498 123.480 119.914 0.114 0.000 2.326 129 V HA 0.360 4.488 4.120 0.014 0.000 0.254 129 V C 0.609 176.754 176.094 0.084 0.000 1.022 129 V CA -0.454 61.892 62.300 0.077 0.000 1.074 129 V CB -0.109 31.747 31.823 0.056 0.000 1.305 129 V HN 0.985 nan 8.190 nan 0.000 0.506 130 E N 2.253 122.535 120.200 0.137 0.000 2.127 130 E HA 0.463 4.822 4.350 0.014 0.000 0.295 130 E C 1.397 178.041 176.600 0.074 0.000 1.155 130 E CA 0.845 57.320 56.400 0.125 0.000 1.201 130 E CB -0.474 29.353 29.700 0.212 0.000 1.083 130 E HN 1.374 nan 8.360 nan 0.000 0.472 131 G N 0.628 109.457 108.800 0.048 0.000 2.557 131 G HA2 -0.341 3.627 3.960 0.014 0.000 0.292 131 G HA3 -0.341 3.627 3.960 0.014 0.000 0.292 131 G C 1.123 176.035 174.900 0.020 0.000 1.162 131 G CA 0.432 45.551 45.100 0.032 0.000 0.964 131 G HN 0.927 nan 8.290 nan 0.000 0.541 132 L N 2.511 123.744 121.223 0.015 0.000 2.156 132 L HA 0.493 4.842 4.340 0.014 0.000 0.208 132 L C 2.561 179.404 176.870 -0.045 0.000 1.095 132 L CA 1.851 56.694 54.840 0.004 0.000 0.770 132 L CB -1.120 40.953 42.059 0.022 0.000 0.914 132 L HN 1.022 nan 8.230 nan 0.000 0.439 133 A N -0.443 122.336 122.820 -0.068 0.000 2.466 133 A HA 0.442 4.770 4.320 0.014 0.000 0.238 133 A C -0.266 177.127 177.584 -0.318 0.000 1.074 133 A CA 0.088 51.989 52.037 -0.226 0.000 0.774 133 A CB 0.339 19.243 19.000 -0.160 0.000 1.015 133 A HN -0.027 nan 8.150 nan 0.000 0.498 134 V N 1.994 121.537 119.914 -0.618 0.000 2.752 134 V HA 0.330 4.459 4.120 0.014 0.000 0.302 134 V C -1.812 173.868 176.094 -0.691 0.000 1.133 134 V CA -0.283 61.741 62.300 -0.460 0.000 0.919 134 V CB 1.674 33.353 31.823 -0.240 0.000 1.026 134 V HN 0.781 nan 8.190 nan 0.000 0.429 135 Y N 4.243 124.481 120.300 -0.104 0.000 2.464 135 Y HA 0.602 5.159 4.550 0.012 0.000 0.326 135 Y C 1.175 176.980 175.900 -0.158 0.000 0.969 135 Y CA -0.261 57.766 58.100 -0.122 0.000 1.270 135 Y CB 1.357 39.783 38.460 -0.057 0.000 1.103 135 Y HN 0.706 nan 8.280 nan 0.000 0.491 136 R N 3.403 123.795 120.500 -0.180 0.000 2.056 136 R HA 0.037 4.385 4.340 0.014 0.000 0.227 136 R C 1.144 177.381 176.300 -0.104 0.000 1.149 136 R CA 1.689 57.623 56.100 -0.277 0.000 0.937 136 R CB -0.548 29.395 30.300 -0.595 0.000 0.835 136 R HN 0.759 nan 8.270 nan 0.000 0.430 137 R N 0.211 120.673 120.500 -0.063 0.000 2.606 137 R HA 0.489 4.837 4.340 0.014 0.000 0.249 137 R C -0.966 175.380 176.300 0.076 0.000 1.127 137 R CA -0.576 55.528 56.100 0.007 0.000 1.133 137 R CB 0.982 31.287 30.300 0.007 0.000 1.243 137 R HN 0.401 nan 8.270 nan 0.000 0.558 138 E N -0.124 120.129 120.200 0.089 0.000 2.187 138 E HA 0.142 4.500 4.350 0.014 0.000 0.268 138 E C -0.318 176.384 176.600 0.170 0.000 0.896 138 E CA -0.615 55.861 56.400 0.126 0.000 0.766 138 E CB 1.780 31.530 29.700 0.084 0.000 1.142 138 E HN 0.597 nan 8.360 nan 0.000 0.408 139 H N 1.739 120.890 119.070 0.135 0.000 2.582 139 H HA 0.352 4.917 4.556 0.016 0.000 0.269 139 H C -0.616 174.787 175.328 0.126 0.000 0.962 139 H CA 0.535 56.669 56.048 0.144 0.000 1.230 139 H CB 0.803 30.688 29.762 0.205 0.000 1.445 139 H HN 0.528 nan 8.280 nan 0.000 0.528 140 A N -0.283 122.678 122.820 0.235 0.000 2.532 140 A HA 0.609 4.938 4.320 0.014 0.000 0.296 140 A C -0.574 177.226 177.584 0.360 0.000 1.058 140 A CA -0.126 52.105 52.037 0.323 0.000 0.729 140 A CB 0.751 20.030 19.000 0.464 0.000 1.285 140 A HN 0.370 nan 8.150 nan 0.000 0.396 141 R N 1.360 121.945 120.500 0.141 0.000 2.681 141 R HA 0.648 4.996 4.340 0.014 0.000 0.277 141 R C 0.353 176.348 176.300 -0.508 0.000 1.563 141 R CA 0.158 56.186 56.100 -0.121 0.000 1.673 141 R CB 0.602 30.863 30.300 -0.065 0.000 1.258 141 R HN 2.152 nan 8.270 nan 0.000 0.650 142 G N 0.540 108.446 108.800 -1.490 0.000 2.507 142 G HA2 0.611 4.580 3.960 0.014 0.000 0.271 142 G HA3 0.611 4.580 3.960 0.014 0.000 0.271 142 G C -1.735 172.435 174.900 -1.217 0.000 1.189 142 G CA -0.642 43.448 45.100 -1.684 0.000 0.859 142 G HN 0.594 nan 8.290 nan 0.000 0.542 143 P HA 0.456 nan 4.420 nan 0.000 0.264 143 P C 1.059 178.143 177.300 -0.359 0.000 1.236 143 P CA 1.334 64.198 63.100 -0.393 0.000 0.811 143 P CB -0.300 31.267 31.700 -0.222 0.000 0.840 144 G N 1.942 110.607 108.800 -0.225 0.000 2.376 144 G HA2 -0.130 3.838 3.960 0.014 0.000 0.208 144 G HA3 -0.130 3.838 3.960 0.014 0.000 0.208 144 G C 0.294 175.296 174.900 0.170 0.000 1.032 144 G CA 0.210 45.343 45.100 0.056 0.000 0.641 144 G HN 0.836 nan 8.290 nan 0.000 0.503 145 W N 0.283 121.675 121.300 0.154 0.000 2.799 145 W HA 0.878 5.559 4.660 0.035 0.000 0.349 145 W C -0.111 176.442 176.519 0.057 0.000 1.100 145 W CA -0.840 56.568 57.345 0.105 0.000 1.174 145 W CB 1.036 30.572 29.460 0.127 0.000 1.427 145 W HN 0.911 nan 8.180 nan 0.000 0.547 146 R N 0.501 121.267 120.500 0.443 0.000 2.564 146 R HA 0.612 4.960 4.340 0.014 0.000 0.284 146 R C -2.034 174.434 176.300 0.279 0.000 1.031 146 R CA -0.798 55.501 56.100 0.331 0.000 0.904 146 R CB 1.403 31.782 30.300 0.131 0.000 1.199 146 R HN 0.565 nan 8.270 nan 0.000 0.443 147 V N 3.334 123.420 119.914 0.286 0.000 2.266 147 V HA 0.676 4.805 4.120 0.014 0.000 0.271 147 V C 0.855 177.054 176.094 0.174 0.000 1.032 147 V CA -0.528 61.871 62.300 0.166 0.000 0.806 147 V CB 0.624 32.526 31.823 0.132 0.000 1.052 147 V HN 1.020 nan 8.190 nan 0.000 0.449 148 L N 2.518 123.779 121.223 0.063 0.000 2.453 148 L HA 1.032 5.380 4.340 0.014 0.000 0.261 148 L C 0.797 177.748 176.870 0.136 0.000 1.179 148 L CA 0.160 55.040 54.840 0.067 0.000 0.813 148 L CB 0.690 42.718 42.059 -0.052 0.000 1.110 148 L HN 0.800 nan 8.230 nan 0.000 0.466 149 G N -0.811 108.124 108.800 0.226 0.000 2.662 149 G HA2 0.802 4.770 3.960 0.014 0.000 0.302 149 G HA3 0.802 4.770 3.960 0.014 0.000 0.302 149 G C -0.029 174.956 174.900 0.142 0.000 1.389 149 G CA 0.366 45.581 45.100 0.192 0.000 0.998 149 G HN 1.654 nan 8.290 nan 0.000 0.502 150 G N -0.252 108.575 108.800 0.044 0.000 3.206 150 G HA2 0.875 4.843 3.960 0.014 0.000 0.146 150 G HA3 0.875 4.843 3.960 0.014 0.000 0.146 150 G C -0.830 173.876 174.900 -0.323 0.000 1.214 150 G CA 0.505 45.465 45.100 -0.234 0.000 1.297 150 G HN 1.977 nan 8.290 nan 0.000 0.659 151 A N -1.316 121.249 122.820 -0.424 0.000 2.594 151 A HA 0.633 4.961 4.320 0.014 0.000 0.296 151 A C -1.424 175.989 177.584 -0.285 0.000 1.056 151 A CA -0.322 51.546 52.037 -0.282 0.000 0.693 151 A CB 1.209 20.095 19.000 -0.189 0.000 1.278 151 A HN 1.360 nan 8.150 nan 0.000 0.408 152 V N 2.366 122.186 119.914 -0.158 0.000 2.498 152 V HA 0.481 4.609 4.120 0.014 0.000 0.279 152 V C 0.120 176.193 176.094 -0.034 0.000 1.048 152 V CA 0.009 62.250 62.300 -0.098 0.000 0.967 152 V CB 0.699 32.503 31.823 -0.032 0.000 0.988 152 V HN 0.694 nan 8.190 nan 0.000 0.473 153 L N 3.609 124.819 121.223 -0.021 0.000 2.304 153 L HA 0.828 5.176 4.340 0.014 0.000 0.268 153 L C -0.723 176.193 176.870 0.077 0.000 1.010 153 L CA -0.643 54.210 54.840 0.023 0.000 0.813 153 L CB 1.911 43.968 42.059 -0.004 0.000 1.315 153 L HN 0.556 nan 8.230 nan 0.000 0.445 154 D N 0.602 121.071 120.400 0.114 0.000 2.717 154 D HA 0.449 5.097 4.640 0.014 0.000 0.223 154 D C -1.940 174.451 176.300 0.151 0.000 1.240 154 D CA -0.336 53.779 54.000 0.191 0.000 0.801 154 D CB 2.280 43.283 40.800 0.338 0.000 1.556 154 D HN 0.270 nan 8.370 nan 0.000 0.462 155 L N 4.256 125.595 121.223 0.193 0.000 2.446 155 L HA 0.625 4.974 4.340 0.014 0.000 0.268 155 L C -1.592 175.462 176.870 0.306 0.000 0.975 155 L CA -0.470 54.439 54.840 0.116 0.000 0.848 155 L CB 0.936 43.031 42.059 0.059 0.000 1.225 155 L HN 0.685 nan 8.230 nan 0.000 0.410 156 W N 5.060 126.482 121.300 0.203 0.000 3.055 156 W HA 0.794 5.461 4.660 0.012 0.000 0.340 156 W C -1.690 174.958 176.519 0.214 0.000 1.180 156 W CA -0.945 56.510 57.345 0.183 0.000 1.077 156 W CB 0.498 30.020 29.460 0.104 0.000 1.479 156 W HN 0.092 nan 8.180 nan 0.000 0.593 157 V N 2.395 122.578 119.914 0.448 0.000 2.732 157 V HA 0.633 4.762 4.120 0.014 0.000 0.310 157 V C 0.289 176.576 176.094 0.321 0.000 1.053 157 V CA -0.590 61.839 62.300 0.214 0.000 0.957 157 V CB 1.071 32.961 31.823 0.111 0.000 1.018 157 V HN 0.730 nan 8.190 nan 0.000 0.452 158 S N 0.776 116.568 115.700 0.154 0.000 2.747 158 S HA 0.553 5.031 4.470 0.014 0.000 0.300 158 S C 0.962 175.620 174.600 0.096 0.000 1.121 158 S CA 0.103 58.407 58.200 0.173 0.000 0.995 158 S CB 1.322 64.598 63.200 0.127 0.000 1.113 158 S HN 0.862 nan 8.310 nan 0.000 0.547 159 D N 0.838 121.291 120.400 0.089 0.000 2.149 159 D HA -0.095 4.553 4.640 0.014 0.000 0.198 159 D C 2.032 178.352 176.300 0.033 0.000 0.990 159 D CA 1.813 55.846 54.000 0.055 0.000 0.839 159 D CB -1.049 39.782 40.800 0.051 0.000 0.948 159 D HN 0.754 nan 8.370 nan 0.000 0.460 160 S N -1.730 113.988 115.700 0.030 0.000 2.515 160 S HA 0.368 4.847 4.470 0.014 0.000 0.231 160 S C 2.067 176.663 174.600 -0.007 0.000 0.987 160 S CA 0.953 59.161 58.200 0.012 0.000 0.936 160 S CB 0.090 63.299 63.200 0.015 0.000 0.766 160 S HN 1.723 nan 8.310 nan 0.000 0.528 161 G N 0.344 109.135 108.800 -0.015 0.000 2.164 161 G HA2 0.131 4.099 3.960 0.014 0.000 0.212 161 G HA3 0.131 4.099 3.960 0.014 0.000 0.212 161 G C -0.006 174.824 174.900 -0.117 0.000 1.031 161 G CA -0.143 44.925 45.100 -0.054 0.000 0.730 161 G HN 1.138 nan 8.290 nan 0.000 0.501 162 A N -0.817 121.939 122.820 -0.107 0.000 2.387 162 A HA 0.931 5.259 4.320 0.014 0.000 0.298 162 A C -0.296 177.176 177.584 -0.187 0.000 1.165 162 A CA -0.920 51.032 52.037 -0.141 0.000 0.814 162 A CB 1.050 20.031 19.000 -0.033 0.000 1.357 162 A HN 0.606 nan 8.150 nan 0.000 0.443 163 F N -0.173 119.767 119.950 -0.017 0.000 2.389 163 F HA 0.513 5.049 4.527 0.014 0.000 0.337 163 F C 0.201 175.898 175.800 -0.170 0.000 1.112 163 F CA 0.156 58.118 58.000 -0.063 0.000 1.192 163 F CB 1.025 39.999 39.000 -0.043 0.000 1.185 163 F HN 0.244 nan 8.300 nan 0.000 0.552 164 L N 4.627 125.749 121.223 -0.168 0.000 2.381 164 L HA 0.428 4.777 4.340 0.014 0.000 0.274 164 L C -1.230 175.235 176.870 -0.675 0.000 0.988 164 L CA -0.683 53.835 54.840 -0.537 0.000 0.824 164 L CB 1.891 43.356 42.059 -0.990 0.000 1.263 164 L HN 0.461 nan 8.230 nan 0.000 0.410 165 L N 4.986 126.001 121.223 -0.347 0.000 2.324 165 L HA 0.449 4.798 4.340 0.014 0.000 0.274 165 L C -0.387 176.465 176.870 -0.030 0.000 1.012 165 L CA -0.170 54.563 54.840 -0.178 0.000 0.859 165 L CB 1.611 43.641 42.059 -0.050 0.000 1.224 165 L HN 0.724 nan 8.230 nan 0.000 0.429 166 E N 3.561 123.717 120.200 -0.074 0.000 2.331 166 E HA 0.480 4.838 4.350 0.014 0.000 0.272 166 E C -1.565 175.142 176.600 0.178 0.000 1.036 166 E CA -0.473 56.013 56.400 0.143 0.000 0.864 166 E CB 1.738 31.633 29.700 0.325 0.000 1.035 166 E HN 0.487 nan 8.360 nan 0.000 0.408 167 V N 4.018 124.072 119.914 0.233 0.000 2.686 167 V HA 0.257 4.385 4.120 0.014 0.000 0.306 167 V C -1.191 174.999 176.094 0.160 0.000 1.065 167 V CA -0.783 61.618 62.300 0.169 0.000 0.894 167 V CB 2.108 34.029 31.823 0.164 0.000 1.004 167 V HN 0.714 nan 8.190 nan 0.000 0.424 168 D N 5.317 125.767 120.400 0.083 0.000 2.479 168 D HA 0.462 5.110 4.640 0.014 0.000 0.246 168 D C -2.875 173.426 176.300 0.001 0.000 1.336 168 D CA -1.566 52.480 54.000 0.077 0.000 0.967 168 D CB 2.828 43.679 40.800 0.085 0.000 1.275 168 D HN 0.191 nan 8.370 nan 0.000 0.577 169 P HA 0.339 nan 4.420 nan 0.000 0.264 169 P C -1.187 176.034 177.300 -0.132 0.000 1.183 169 P CA 0.022 63.052 63.100 -0.117 0.000 0.763 169 P CB 0.832 32.466 31.700 -0.111 0.000 0.807 170 A N 2.701 125.392 122.820 -0.216 0.000 2.612 170 A HA 0.669 4.998 4.320 0.014 0.000 0.293 170 A C -1.796 175.693 177.584 -0.159 0.000 1.075 170 A CA -0.468 51.495 52.037 -0.125 0.000 0.680 170 A CB 0.845 19.854 19.000 0.015 0.000 1.279 170 A HN 0.363 nan 8.150 nan 0.000 0.411 171 Y N -0.061 120.299 120.300 0.101 0.000 2.534 171 Y HA 0.839 5.399 4.550 0.016 0.000 0.329 171 Y C 0.506 176.411 175.900 0.009 0.000 1.154 171 Y CA -0.450 57.682 58.100 0.053 0.000 1.192 171 Y CB 1.761 40.170 38.460 -0.086 0.000 1.275 171 Y HN 0.818 nan 8.280 nan 0.000 0.491 172 R N 0.918 121.420 120.500 0.004 0.000 2.725 172 R HA 0.630 4.978 4.340 0.014 0.000 0.277 172 R C -2.147 174.080 176.300 -0.122 0.000 0.987 172 R CA -0.526 55.461 56.100 -0.188 0.000 0.901 172 R CB 1.149 31.040 30.300 -0.682 0.000 1.207 172 R HN 0.706 nan 8.270 nan 0.000 0.463 173 I N 4.236 124.750 120.570 -0.094 0.000 2.359 173 I HA 0.511 4.689 4.170 0.014 0.000 0.284 173 I C -0.477 175.610 176.117 -0.050 0.000 1.018 173 I CA -0.600 60.666 61.300 -0.057 0.000 1.173 173 I CB 1.417 39.378 38.000 -0.066 0.000 1.326 173 I HN 0.423 nan 8.210 nan 0.000 0.462 174 L N 6.134 127.349 121.223 -0.013 0.000 2.343 174 L HA 0.761 5.109 4.340 0.014 0.000 0.278 174 L C -0.026 176.876 176.870 0.053 0.000 0.996 174 L CA -0.767 54.067 54.840 -0.009 0.000 0.831 174 L CB 1.045 43.082 42.059 -0.037 0.000 1.232 174 L HN 0.932 nan 8.230 nan 0.000 0.413 175 C N 0.421 119.740 119.300 0.033 0.000 2.470 175 C HA 0.923 5.391 4.460 0.014 0.000 0.341 175 C C 1.039 176.050 174.990 0.036 0.000 1.190 175 C CA -0.193 58.865 59.018 0.068 0.000 1.904 175 C CB 1.507 29.269 27.740 0.037 0.000 2.354 175 C HN 0.974 nan 8.230 nan 0.000 0.509 176 E N 0.589 120.825 120.200 0.060 0.000 2.192 176 E HA 0.228 4.587 4.350 0.014 0.000 0.196 176 E C 0.216 176.852 176.600 0.060 0.000 0.922 176 E CA 0.263 56.690 56.400 0.046 0.000 0.924 176 E CB -0.257 29.465 29.700 0.038 0.000 0.911 176 E HN 0.701 nan 8.360 nan 0.000 0.478 177 M N 1.427 121.089 119.600 0.103 0.000 2.245 177 M HA -0.017 4.471 4.480 0.014 0.000 0.335 177 M C 0.645 177.021 176.300 0.126 0.000 1.155 177 M CA 0.347 55.727 55.300 0.132 0.000 1.055 177 M CB 0.579 33.301 32.600 0.204 0.000 1.670 177 M HN -0.028 nan 8.290 nan 0.000 0.447 178 S N 1.793 117.557 115.700 0.107 0.000 2.658 178 S HA 0.292 4.770 4.470 0.014 0.000 0.249 178 S C 1.353 176.033 174.600 0.133 0.000 1.363 178 S CA 0.127 58.381 58.200 0.089 0.000 0.964 178 S CB 0.312 63.556 63.200 0.073 0.000 0.973 178 S HN 0.683 nan 8.310 nan 0.000 0.588 179 L N 0.462 121.742 121.223 0.095 0.000 2.291 179 L HA 0.219 4.567 4.340 0.014 0.000 0.214 179 L C 2.268 179.243 176.870 0.175 0.000 1.120 179 L CA 2.345 57.262 54.840 0.128 0.000 0.799 179 L CB -1.868 40.223 42.059 0.053 0.000 0.925 179 L HN 0.902 nan 8.230 nan 0.000 0.446 180 E N -0.512 119.760 120.200 0.121 0.000 2.127 180 E HA 0.162 4.520 4.350 0.014 0.000 0.191 180 E C 2.258 178.917 176.600 0.099 0.000 0.964 180 E CA 1.343 57.798 56.400 0.092 0.000 0.832 180 E CB -0.137 29.593 29.700 0.049 0.000 0.790 180 E HN 0.539 nan 8.360 nan 0.000 0.465 181 A N -0.426 122.460 122.820 0.111 0.000 2.066 181 A HA -0.075 4.253 4.320 0.014 0.000 0.218 181 A C 1.904 179.572 177.584 0.139 0.000 1.157 181 A CA 1.054 53.148 52.037 0.096 0.000 0.670 181 A CB -0.902 18.149 19.000 0.085 0.000 0.804 181 A HN 0.574 nan 8.150 nan 0.000 0.453 182 W N -0.202 121.108 121.300 0.017 0.000 2.737 182 W HA 0.175 4.840 4.660 0.008 0.000 0.262 182 W C 1.974 178.511 176.519 0.031 0.000 1.282 182 W CA 1.490 58.852 57.345 0.030 0.000 1.386 182 W CB 0.377 29.862 29.460 0.042 0.000 1.099 182 W HN 0.210 nan 8.180 nan 0.000 0.621 183 L N -0.084 121.228 121.223 0.148 0.000 2.446 183 L HA 0.439 4.788 4.340 0.014 0.000 0.219 183 L C 2.018 178.841 176.870 -0.079 0.000 1.116 183 L CA 1.744 56.586 54.840 0.002 0.000 0.844 183 L CB -1.687 40.447 42.059 0.125 0.000 0.970 183 L HN 0.178 nan 8.230 nan 0.000 0.457 184 A N -1.112 121.679 122.820 -0.048 0.000 1.984 184 A HA 0.211 4.539 4.320 0.014 0.000 0.214 184 A C 2.335 179.864 177.584 -0.091 0.000 1.173 184 A CA 1.394 53.399 52.037 -0.052 0.000 0.673 184 A CB -0.505 18.485 19.000 -0.017 0.000 0.830 184 A HN 1.055 nan 8.150 nan 0.000 0.453 185 Q N -0.417 119.305 119.800 -0.129 0.000 2.561 185 Q HA 0.338 4.687 4.340 0.014 0.000 0.217 185 Q C 1.286 177.174 176.000 -0.187 0.000 0.980 185 Q CA 1.447 57.160 55.803 -0.149 0.000 0.927 185 Q CB -1.502 27.136 28.738 -0.166 0.000 0.980 185 Q HN 2.236 nan 8.270 nan 0.000 0.525 186 G N -2.057 106.615 108.800 -0.214 0.000 2.884 186 G HA2 0.453 4.421 3.960 0.014 0.000 0.261 186 G HA3 0.453 4.421 3.960 0.014 0.000 0.261 186 G C -0.288 174.436 174.900 -0.292 0.000 1.025 186 G CA 0.464 45.446 45.100 -0.197 0.000 1.228 186 G HN 2.119 nan 8.290 nan 0.000 0.558 187 H N 0.383 119.219 119.070 -0.389 0.000 3.085 187 H HA 0.849 5.413 4.556 0.014 0.000 0.356 187 H C -2.446 172.697 175.328 -0.309 0.000 1.178 187 H CA -0.638 55.116 56.048 -0.489 0.000 1.214 187 H CB 0.829 29.909 29.762 -1.136 0.000 1.881 187 H HN 0.573 nan 8.280 nan 0.000 0.538 188 P HA 0.454 nan 4.420 nan 0.000 0.270 188 P C 0.459 177.858 177.300 0.166 0.000 1.227 188 P CA 0.247 63.366 63.100 0.031 0.000 0.788 188 P CB 0.222 31.963 31.700 0.068 0.000 0.926 189 L N 1.767 123.092 121.223 0.170 0.000 2.361 189 L HA 0.351 4.699 4.340 0.014 0.000 0.278 189 L C -1.571 175.437 176.870 0.230 0.000 1.113 189 L CA -1.478 53.497 54.840 0.225 0.000 0.849 189 L CB -1.642 40.502 42.059 0.143 0.000 1.155 189 L HN 0.388 nan 8.230 nan 0.000 0.452 190 P HA 0.417 nan 4.420 nan 0.000 0.269 190 P C 0.988 178.329 177.300 0.068 0.000 1.217 190 P CA 0.504 63.666 63.100 0.102 0.000 0.783 190 P CB 0.456 32.112 31.700 -0.073 0.000 0.898 191 K N -0.569 119.855 120.400 0.040 0.000 2.400 191 K HA 0.360 4.688 4.320 0.014 0.000 0.194 191 K C 1.139 177.756 176.600 0.029 0.000 1.033 191 K CA 1.357 57.669 56.287 0.041 0.000 1.021 191 K CB -0.378 32.144 32.500 0.035 0.000 0.808 191 K HN 0.744 nan 8.250 nan 0.000 0.505 192 R N -1.052 119.448 120.500 0.001 0.000 2.651 192 R HA 0.834 5.182 4.340 0.014 0.000 0.278 192 R C -0.684 175.599 176.300 -0.027 0.000 1.010 192 R CA -0.022 56.077 56.100 -0.002 0.000 0.896 192 R CB 0.272 30.556 30.300 -0.026 0.000 1.211 192 R HN 0.968 nan 8.270 nan 0.000 0.456 193 V N -1.033 118.889 119.914 0.013 0.000 3.040 193 V HA 1.026 5.154 4.120 0.014 0.000 0.312 193 V C 0.103 176.208 176.094 0.019 0.000 1.115 193 V CA -0.739 61.557 62.300 -0.006 0.000 0.998 193 V CB 1.825 33.651 31.823 0.005 0.000 1.042 193 V HN 1.620 nan 8.190 nan 0.000 0.433 194 R N 2.394 122.881 120.500 -0.021 0.000 2.502 194 R HA 0.677 5.025 4.340 0.014 0.000 0.300 194 R C -0.203 176.073 176.300 -0.041 0.000 0.984 194 R CA -0.757 55.318 56.100 -0.041 0.000 0.882 194 R CB 0.499 30.752 30.300 -0.079 0.000 1.180 194 R HN 0.984 nan 8.270 nan 0.000 0.444 195 N N 1.138 119.811 118.700 -0.045 0.000 2.294 195 N HA 0.058 4.806 4.740 0.014 0.000 0.248 195 N C 1.250 176.665 175.510 -0.157 0.000 1.242 195 N CA 0.805 53.758 53.050 -0.162 0.000 0.848 195 N CB 1.390 39.593 38.487 -0.473 0.000 1.084 195 N HN 0.852 nan 8.380 nan 0.000 0.457 196 A N 1.952 124.766 122.820 -0.011 0.000 2.123 196 A HA -0.068 4.260 4.320 0.014 0.000 0.214 196 A C 1.028 178.691 177.584 0.131 0.000 1.152 196 A CA 0.653 52.742 52.037 0.086 0.000 0.728 196 A CB -0.517 18.582 19.000 0.165 0.000 0.814 196 A HN 0.802 nan 8.150 nan 0.000 0.464 197 Y N -3.114 117.255 120.300 0.115 0.000 2.458 197 Y HA 0.582 5.142 4.550 0.015 0.000 0.256 197 Y C 0.502 176.456 175.900 0.090 0.000 1.159 197 Y CA 0.034 58.194 58.100 0.101 0.000 1.261 197 Y CB -0.528 38.007 38.460 0.125 0.000 1.119 197 Y HN 0.240 nan 8.280 nan 0.000 0.524 198 D N 0.116 120.374 120.400 -0.236 0.000 2.759 198 D HA 0.685 5.333 4.640 0.014 0.000 0.321 198 D C 0.493 176.696 176.300 -0.161 0.000 1.267 198 D CA -0.251 53.636 54.000 -0.188 0.000 0.933 198 D CB 0.559 41.204 40.800 -0.258 0.000 1.431 198 D HN 0.134 nan 8.370 nan 0.000 0.504 199 R N -1.577 118.845 120.500 -0.131 0.000 2.476 199 R HA 0.698 5.046 4.340 0.014 0.000 0.276 199 R C 1.434 177.630 176.300 -0.173 0.000 0.941 199 R CA 1.414 57.440 56.100 -0.123 0.000 1.088 199 R CB -0.898 29.352 30.300 -0.084 0.000 1.216 199 R HN 1.298 nan 8.270 nan 0.000 0.533 200 R N 0.897 121.268 120.500 -0.214 0.000 2.594 200 R HA 0.561 4.909 4.340 0.014 0.000 0.272 200 R C 0.608 176.614 176.300 -0.489 0.000 1.074 200 R CA 0.532 56.416 56.100 -0.359 0.000 1.105 200 R CB -0.235 29.820 30.300 -0.407 0.000 1.008 200 R HN 0.790 nan 8.270 nan 0.000 0.472 201 T N -2.147 112.027 114.554 -0.634 0.000 2.924 201 T HA 0.811 5.170 4.350 0.014 0.000 0.291 201 T C -0.804 173.474 174.700 -0.703 0.000 1.045 201 T CA -0.783 61.010 62.100 -0.511 0.000 1.015 201 T CB 1.262 69.988 68.868 -0.237 0.000 1.103 201 T HN 0.726 nan 8.240 nan 0.000 0.496 202 W N -1.432 119.835 121.300 -0.056 0.000 3.040 202 W HA 0.632 5.299 4.660 0.012 0.000 0.344 202 W C -0.154 176.352 176.519 -0.021 0.000 1.201 202 W CA -0.775 56.555 57.345 -0.025 0.000 1.119 202 W CB 0.664 30.114 29.460 -0.017 0.000 1.478 202 W HN 0.930 nan 8.180 nan 0.000 0.586 203 E N 0.428 120.790 120.200 0.271 0.000 2.055 203 E HA 0.578 4.936 4.350 0.014 0.000 0.274 203 E C -0.349 176.343 176.600 0.154 0.000 0.949 203 E CA -0.623 55.870 56.400 0.155 0.000 0.775 203 E CB 0.141 29.910 29.700 0.114 0.000 1.097 203 E HN 0.973 nan 8.360 nan 0.000 0.404 204 L N 3.384 124.678 121.223 0.118 0.000 2.617 204 L HA 0.370 4.719 4.340 0.014 0.000 0.282 204 L C 1.460 178.398 176.870 0.113 0.000 1.174 204 L CA -0.001 54.902 54.840 0.105 0.000 1.016 204 L CB -1.188 40.918 42.059 0.077 0.000 1.337 204 L HN 0.782 nan 8.230 nan 0.000 0.460 205 L N 2.033 123.340 121.223 0.139 0.000 2.005 205 L HA 0.154 4.502 4.340 0.014 0.000 0.207 205 L C 1.720 178.674 176.870 0.139 0.000 1.072 205 L CA 1.770 56.690 54.840 0.133 0.000 0.744 205 L CB -0.520 41.625 42.059 0.144 0.000 0.895 205 L HN 0.965 nan 8.230 nan 0.000 0.433 206 R N -2.709 117.902 120.500 0.187 0.000 2.764 206 R HA 0.507 4.856 4.340 0.014 0.000 0.276 206 R C -1.523 174.888 176.300 0.185 0.000 1.021 206 R CA -0.955 55.255 56.100 0.184 0.000 0.870 206 R CB 0.799 31.222 30.300 0.205 0.000 1.293 206 R HN -0.183 nan 8.270 nan 0.000 0.469 207 L N 0.917 122.229 121.223 0.150 0.000 2.307 207 L HA 0.579 4.927 4.340 0.014 0.000 0.284 207 L C 0.313 177.253 176.870 0.115 0.000 1.023 207 L CA -0.851 54.036 54.840 0.077 0.000 0.810 207 L CB 1.973 44.060 42.059 0.047 0.000 1.231 207 L HN 0.894 nan 8.230 nan 0.000 0.423 208 G N 0.849 109.632 108.800 -0.027 0.000 2.339 208 G HA2 0.420 4.388 3.960 0.014 0.000 0.287 208 G HA3 0.420 4.388 3.960 0.014 0.000 0.287 208 G C 0.244 175.158 174.900 0.024 0.000 1.163 208 G CA -0.183 44.945 45.100 0.047 0.000 0.872 208 G HN 0.759 nan 8.290 nan 0.000 0.464 209 E N 0.650 120.904 120.200 0.090 0.000 2.392 209 E HA 0.534 4.892 4.350 0.014 0.000 0.307 209 E C 0.380 177.006 176.600 0.043 0.000 1.505 209 E CA 0.241 56.672 56.400 0.050 0.000 1.716 209 E CB -0.484 29.251 29.700 0.058 0.000 1.450 209 E HN 1.079 nan 8.360 nan 0.000 0.484 210 E N -0.514 119.694 120.200 0.012 0.000 2.292 210 E HA 0.570 4.929 4.350 0.014 0.000 0.272 210 E C -0.161 176.422 176.600 -0.030 0.000 0.881 210 E CA -0.346 56.059 56.400 0.007 0.000 0.754 210 E CB 0.435 30.155 29.700 0.035 0.000 1.201 210 E HN 0.822 nan 8.360 nan 0.000 0.425 211 D N 1.326 121.715 120.400 -0.018 0.000 2.493 211 D HA 0.483 5.131 4.640 0.014 0.000 0.240 211 D C -0.131 176.142 176.300 -0.045 0.000 1.142 211 D CA -0.099 53.884 54.000 -0.028 0.000 0.872 211 D CB 0.396 41.187 40.800 -0.016 0.000 1.173 211 D HN 0.605 nan 8.370 nan 0.000 0.467 212 P HA 0.012 nan 4.420 nan 0.000 0.219 212 P C 1.812 179.079 177.300 -0.054 0.000 1.150 212 P CA 2.464 65.519 63.100 -0.075 0.000 0.814 212 P CB -0.233 31.416 31.700 -0.084 0.000 0.787 213 K N -1.086 119.291 120.400 -0.038 0.000 2.116 213 K HA 0.229 4.558 4.320 0.014 0.000 0.203 213 K C 1.836 178.425 176.600 -0.020 0.000 1.052 213 K CA 1.904 58.175 56.287 -0.028 0.000 0.952 213 K CB -1.166 31.321 32.500 -0.022 0.000 0.729 213 K HN 0.515 nan 8.250 nan 0.000 0.446 214 E N -0.065 120.126 120.200 -0.016 0.000 2.370 214 E HA 0.586 4.944 4.350 0.014 0.000 0.194 214 E C 0.350 176.949 176.600 -0.002 0.000 1.057 214 E CA 0.316 56.712 56.400 -0.007 0.000 1.011 214 E CB -1.069 28.630 29.700 -0.002 0.000 1.132 214 E HN 0.884 nan 8.360 nan 0.000 0.450 215 L N -0.455 120.763 121.223 -0.010 0.000 2.282 215 L HA 0.953 5.301 4.340 0.014 0.000 0.288 215 L C -1.425 175.448 176.870 0.006 0.000 1.033 215 L CA -1.602 53.237 54.840 -0.002 0.000 0.807 215 L CB 0.956 42.996 42.059 -0.030 0.000 1.209 215 L HN 0.231 nan 8.230 nan 0.000 0.423 216 P HA 0.699 nan 4.420 nan 0.000 0.282 216 P C -0.436 176.883 177.300 0.032 0.000 1.262 216 P CA 0.700 63.816 63.100 0.026 0.000 0.773 216 P CB 0.748 32.468 31.700 0.033 0.000 0.879 217 L N 3.459 124.691 121.223 0.016 0.000 2.313 217 L HA 0.844 5.193 4.340 0.014 0.000 0.273 217 L C -0.180 176.700 176.870 0.017 0.000 1.028 217 L CA -0.845 54.004 54.840 0.015 0.000 0.871 217 L CB -0.452 41.602 42.059 -0.009 0.000 1.242 217 L HN 0.846 nan 8.230 nan 0.000 0.434 223 L N 1.129 122.337 121.223 -0.025 0.000 1.990 223 L HA 0.226 4.575 4.340 0.014 0.000 0.213 223 L C 3.238 180.116 176.870 0.013 0.000 1.072 223 L CA 3.221 58.051 54.840 -0.016 0.000 0.755 223 L CB -1.868 40.155 42.059 -0.060 0.000 0.889 223 L HN 1.810 nan 8.230 nan 0.000 0.432 224 L N -0.492 120.717 121.223 -0.024 0.000 2.447 224 L HA 0.077 4.425 4.340 0.014 0.000 0.225 224 L C 2.258 179.121 176.870 -0.011 0.000 1.148 224 L CA 3.277 58.100 54.840 -0.029 0.000 0.808 224 L CB -2.519 39.515 42.059 -0.041 0.000 0.928 224 L HN 0.819 nan 8.230 nan 0.000 0.448 225 D N -3.130 117.263 120.400 -0.011 0.000 2.338 225 D HA 0.105 4.753 4.640 0.014 0.000 0.224 225 D C 2.126 178.406 176.300 -0.034 0.000 0.967 225 D CA 1.556 55.544 54.000 -0.020 0.000 0.896 225 D CB -0.604 40.182 40.800 -0.023 0.000 1.028 225 D HN 1.024 nan 8.370 nan 0.000 0.493 226 Y N 0.501 120.771 120.300 -0.050 0.000 2.081 226 Y HA -0.245 4.313 4.550 0.014 0.000 0.280 226 Y C 2.573 178.359 175.900 -0.190 0.000 1.163 226 Y CA 2.391 60.415 58.100 -0.127 0.000 1.135 226 Y CB -1.613 36.740 38.460 -0.178 0.000 0.970 226 Y HN 0.621 nan 8.280 nan 0.000 0.498 227 H N -0.619 118.348 119.070 -0.172 0.000 2.423 227 H HA -0.030 4.534 4.556 0.014 0.000 0.297 227 H C 2.671 177.900 175.328 -0.165 0.000 1.075 227 H CA 1.061 56.974 56.048 -0.225 0.000 1.342 227 H CB -0.483 29.123 29.762 -0.261 0.000 1.395 227 H HN 0.662 nan 8.280 nan 0.000 0.530 228 A N 1.219 124.038 122.820 -0.002 0.000 1.841 228 A HA -0.140 4.189 4.320 0.014 0.000 0.214 228 A C 2.812 180.374 177.584 -0.037 0.000 1.195 228 A CA 1.995 54.019 52.037 -0.022 0.000 0.611 228 A CB -1.072 17.916 19.000 -0.018 0.000 0.835 228 A HN 0.509 nan 8.150 nan 0.000 0.443 229 S N -0.350 115.323 115.700 -0.045 0.000 2.419 229 S HA -0.004 4.475 4.470 0.014 0.000 0.233 229 S C 2.032 176.601 174.600 -0.053 0.000 1.016 229 S CA 2.323 60.497 58.200 -0.044 0.000 0.974 229 S CB -0.647 62.526 63.200 -0.044 0.000 0.786 229 S HN 0.806 nan 8.310 nan 0.000 0.492 230 K N 0.293 120.645 120.400 -0.080 0.000 2.432 230 K HA 0.432 4.761 4.320 0.014 0.000 0.196 230 K C 1.704 178.264 176.600 -0.066 0.000 1.038 230 K CA 1.071 57.305 56.287 -0.087 0.000 0.986 230 K CB -1.232 31.177 32.500 -0.152 0.000 0.782 230 K HN 1.674 nan 8.250 nan 0.000 0.485 231 G N -2.700 106.067 108.800 -0.055 0.000 2.159 231 G HA2 -0.049 3.920 3.960 0.014 0.000 0.227 231 G HA3 -0.049 3.920 3.960 0.014 0.000 0.227 231 G C 1.137 176.016 174.900 -0.035 0.000 0.986 231 G CA 0.953 46.033 45.100 -0.033 0.000 0.651 231 G HN 1.159 nan 8.290 nan 0.000 0.523 232 R N -0.721 119.737 120.500 -0.069 0.000 2.275 232 R HA 0.727 5.076 4.340 0.014 0.000 0.199 232 R C 2.891 179.171 176.300 -0.034 0.000 0.989 232 R CA 1.899 57.954 56.100 -0.075 0.000 1.016 232 R CB -1.104 29.071 30.300 -0.208 0.000 0.918 232 R HN 1.769 nan 8.270 nan 0.000 0.473 233 L N -0.712 120.495 121.223 -0.027 0.000 2.313 233 L HA 0.431 4.780 4.340 0.014 0.000 0.214 233 L C 1.986 178.849 176.870 -0.011 0.000 1.119 233 L CA 1.409 56.237 54.840 -0.020 0.000 0.809 233 L CB -1.813 40.234 42.059 -0.020 0.000 0.933 233 L HN 0.794 nan 8.230 nan 0.000 0.449 234 Q N -0.487 119.309 119.800 -0.007 0.000 2.327 234 Q HA 0.473 4.821 4.340 0.014 0.000 0.254 234 Q C 1.561 177.566 176.000 0.008 0.000 0.952 234 Q CA 0.431 56.234 55.803 -0.000 0.000 0.884 234 Q CB 0.000 28.739 28.738 0.001 0.000 1.224 234 Q HN 2.157 nan 8.270 nan 0.000 0.422 235 G N -1.105 107.700 108.800 0.008 0.000 2.189 235 G HA2 0.120 4.088 3.960 0.014 0.000 0.267 235 G HA3 0.120 4.088 3.960 0.014 0.000 0.267 235 G C 0.493 175.403 174.900 0.016 0.000 0.975 235 G CA 1.343 46.452 45.100 0.014 0.000 0.644 235 G HN 1.934 nan 8.290 nan 0.000 0.537 236 R N -1.484 119.023 120.500 0.012 0.000 2.869 236 R HA 1.018 5.367 4.340 0.014 0.000 0.263 236 R C -0.329 175.972 176.300 0.002 0.000 1.066 236 R CA 1.071 57.179 56.100 0.013 0.000 0.960 236 R CB 0.517 30.831 30.300 0.023 0.000 1.221 236 R HN 1.857 nan 8.270 nan 0.000 0.474 237 E N 0.070 120.271 120.200 0.001 0.000 2.518 237 E HA 0.545 4.903 4.350 0.014 0.000 0.240 237 E C 0.419 177.010 176.600 -0.016 0.000 0.996 237 E CA -0.574 55.821 56.400 -0.008 0.000 0.768 237 E CB 1.030 30.727 29.700 -0.004 0.000 1.329 237 E HN 1.684 nan 8.360 nan 0.000 0.408 238 G N 1.291 110.071 108.800 -0.034 0.000 2.254 238 G HA2 0.420 4.388 3.960 0.014 0.000 0.253 238 G HA3 0.420 4.388 3.960 0.014 0.000 0.253 238 G C 0.874 175.745 174.900 -0.048 0.000 1.246 238 G CA 0.523 45.589 45.100 -0.056 0.000 0.946 238 G HN 0.821 nan 8.290 nan 0.000 0.474 239 G N 1.441 110.217 108.800 -0.040 0.000 2.873 239 G HA2 0.596 4.564 3.960 0.014 0.000 0.170 239 G HA3 0.596 4.564 3.960 0.014 0.000 0.170 239 G C 0.925 175.795 174.900 -0.051 0.000 1.608 239 G CA 0.339 45.419 45.100 -0.033 0.000 1.084 239 G HN 0.974 nan 8.290 nan 0.000 0.563 240 R N -1.696 118.776 120.500 -0.046 0.000 2.828 240 R HA 0.670 5.018 4.340 0.014 0.000 0.270 240 R C 0.778 177.016 176.300 -0.104 0.000 1.244 240 R CA 0.249 56.310 56.100 -0.064 0.000 1.143 240 R CB -1.189 29.085 30.300 -0.045 0.000 1.128 240 R HN 1.615 nan 8.270 nan 0.000 0.587 241 V N -1.896 117.933 119.914 -0.142 0.000 3.036 241 V HA 0.776 4.904 4.120 0.014 0.000 0.308 241 V C 0.676 176.612 176.094 -0.264 0.000 1.070 241 V CA -0.350 61.801 62.300 -0.248 0.000 1.056 241 V CB 1.111 32.732 31.823 -0.337 0.000 1.084 241 V HN 1.722 nan 8.190 nan 0.000 0.471 242 A N 1.699 124.289 122.820 -0.384 0.000 2.540 242 A HA 0.645 4.973 4.320 0.014 0.000 0.297 242 A C -1.633 175.732 177.584 -0.365 0.000 1.056 242 A CA -0.361 51.507 52.037 -0.281 0.000 0.700 242 A CB 0.800 19.722 19.000 -0.130 0.000 1.280 242 A HN 0.941 nan 8.150 nan 0.000 0.398 243 W N 2.621 123.914 121.300 -0.013 0.000 2.288 243 W HA 0.526 5.193 4.660 0.012 0.000 0.325 243 W C 0.572 177.075 176.519 -0.027 0.000 1.019 243 W CA -0.135 57.198 57.345 -0.021 0.000 1.403 243 W CB 1.345 30.804 29.460 -0.002 0.000 1.226 243 W HN 0.895 nan 8.180 nan 0.000 0.391 244 V N 2.728 122.733 119.914 0.150 0.000 3.653 244 V HA 0.859 4.987 4.120 0.014 0.000 0.282 244 V C 0.303 176.512 176.094 0.192 0.000 0.993 244 V CA -0.732 61.619 62.300 0.085 0.000 0.986 244 V CB 0.944 32.604 31.823 -0.271 0.000 1.249 244 V HN 0.539 nan 8.190 nan 0.000 0.423 245 A N -0.251 122.753 122.820 0.306 0.000 2.547 245 A HA 0.646 4.975 4.320 0.014 0.000 0.300 245 A C -0.389 177.425 177.584 0.382 0.000 1.061 245 A CA 0.329 52.541 52.037 0.292 0.000 0.808 245 A CB -0.075 19.031 19.000 0.178 0.000 1.304 245 A HN 2.161 nan 8.150 nan 0.000 0.393 252 K N 1.993 122.412 120.400 0.031 0.000 2.265 252 K HA 0.766 5.094 4.320 0.014 0.000 0.267 252 K C -2.524 174.104 176.600 0.047 0.000 0.994 252 K CA -1.575 54.727 56.287 0.025 0.000 0.860 252 K CB 0.984 33.511 32.500 0.046 0.000 1.099 252 K HN 0.271 nan 8.250 nan 0.000 0.448 253 P HA 0.729 nan 4.420 nan 0.000 0.286 253 P C -0.150 177.253 177.300 0.172 0.000 1.293 253 P CA -0.149 62.975 63.100 0.040 0.000 0.770 253 P CB 0.549 32.086 31.700 -0.272 0.000 1.206 254 I N -2.942 117.849 120.570 0.369 0.000 2.947 254 I HA 0.527 4.705 4.170 0.014 0.000 0.301 254 I C -2.953 173.363 176.117 0.331 0.000 1.453 254 I CA -2.292 59.192 61.300 0.307 0.000 0.984 254 I CB 1.531 39.552 38.000 0.035 0.000 1.333 254 I HN 0.202 nan 8.210 nan 0.000 0.475 255 P HA 0.641 nan 4.420 nan 0.000 0.293 255 P C -1.269 175.907 177.300 -0.206 0.000 1.300 255 P CA 0.248 63.174 63.100 -0.290 0.000 0.792 255 P CB 0.329 31.917 31.700 -0.186 0.000 0.925 256 H N 0.567 119.423 119.070 -0.357 0.000 3.029 256 H HA 0.596 5.161 4.556 0.016 0.000 0.358 256 H C -0.572 174.576 175.328 -0.300 0.000 1.129 256 H CA -0.821 55.068 56.048 -0.265 0.000 1.230 256 H CB 0.988 30.569 29.762 -0.302 0.000 1.827 256 H HN 0.227 nan 8.280 nan 0.000 0.530 257 L N 1.946 123.114 121.223 -0.092 0.000 2.397 257 L HA 0.285 4.633 4.340 0.014 0.000 0.271 257 L C 1.501 178.366 176.870 -0.009 0.000 1.148 257 L CA 0.223 54.992 54.840 -0.118 0.000 0.825 257 L CB 0.114 42.031 42.059 -0.237 0.000 1.117 257 L HN 0.988 nan 8.230 nan 0.000 0.456 258 T N -1.449 113.077 114.554 -0.048 0.000 3.194 258 T HA 0.176 4.534 4.350 0.014 0.000 0.251 258 T C 1.409 176.109 174.700 0.000 0.000 1.132 258 T CA 1.080 63.165 62.100 -0.024 0.000 1.028 258 T CB -0.367 68.492 68.868 -0.016 0.000 0.976 258 T HN 1.248 nan 8.240 nan 0.000 0.535 259 G N 0.349 109.144 108.800 -0.007 0.000 2.719 259 G HA2 0.359 4.328 3.960 0.014 0.000 0.211 259 G HA3 0.359 4.328 3.960 0.014 0.000 0.211 259 G C 1.448 176.374 174.900 0.042 0.000 1.140 259 G CA 0.471 45.576 45.100 0.009 0.000 0.790 259 G HN 0.708 nan 8.290 nan 0.000 0.529 260 L N -0.297 120.969 121.223 0.072 0.000 2.640 260 L HA 0.818 5.166 4.340 0.014 0.000 0.230 260 L C 1.254 178.245 176.870 0.202 0.000 1.123 260 L CA 0.717 55.678 54.840 0.202 0.000 0.900 260 L CB -1.334 40.906 42.059 0.301 0.000 1.146 260 L HN 0.426 nan 8.230 nan 0.000 0.484 261 L N -1.029 120.227 121.223 0.054 0.000 2.360 261 L HA 0.974 5.322 4.340 0.014 0.000 0.271 261 L C 0.111 176.976 176.870 -0.008 0.000 1.057 261 L CA -0.316 54.503 54.840 -0.036 0.000 0.803 261 L CB 0.526 42.501 42.059 -0.140 0.000 1.207 261 L HN 1.130 nan 8.230 nan 0.000 0.445 262 V N 1.371 121.266 119.914 -0.033 0.000 2.638 262 V HA 0.883 5.011 4.120 0.014 0.000 0.306 262 V C -1.708 174.315 176.094 -0.119 0.000 1.052 262 V CA -1.488 60.778 62.300 -0.056 0.000 0.885 262 V CB 1.848 33.645 31.823 -0.044 0.000 0.999 262 V HN 1.163 nan 8.190 nan 0.000 0.424 263 P HA 0.638 nan 4.420 nan 0.000 0.269 263 P C -0.291 176.828 177.300 -0.303 0.000 1.215 263 P CA 1.062 63.956 63.100 -0.345 0.000 0.780 263 P CB 1.130 32.363 31.700 -0.780 0.000 0.898 264 V N 1.898 121.663 119.914 -0.248 0.000 2.259 264 V HA 0.608 4.737 4.120 0.014 0.000 0.267 264 V C 0.706 176.680 176.094 -0.199 0.000 1.051 264 V CA -0.586 61.603 62.300 -0.185 0.000 0.830 264 V CB 0.155 31.907 31.823 -0.118 0.000 1.080 264 V HN 0.864 nan 8.190 nan 0.000 0.467 265 L N 3.248 124.335 121.223 -0.227 0.000 2.490 265 L HA 0.852 5.200 4.340 0.014 0.000 0.274 265 L C 0.710 177.512 176.870 -0.114 0.000 1.201 265 L CA 0.631 55.359 54.840 -0.188 0.000 0.869 265 L CB -0.102 41.862 42.059 -0.158 0.000 1.123 265 L HN 1.574 nan 8.230 nan 0.000 0.484 266 T N 1.341 115.844 114.554 -0.086 0.000 3.318 266 T HA 0.675 5.034 4.350 0.014 0.000 0.304 266 T C 0.720 175.385 174.700 -0.057 0.000 1.051 266 T CA 0.254 62.315 62.100 -0.066 0.000 1.546 266 T CB -0.293 68.545 68.868 -0.049 0.000 0.875 266 T HN 2.618 nan 8.240 nan 0.000 0.578 267 L N -1.451 119.719 121.223 -0.088 0.000 4.813 267 L HA 0.215 4.563 4.340 0.014 0.000 0.434 267 L C 0.792 177.624 176.870 -0.064 0.000 1.106 267 L CA 3.051 57.834 54.840 -0.094 0.000 0.991 267 L CB -2.551 39.468 42.059 -0.066 0.000 2.005 267 L HN 1.910 nan 8.230 nan 0.000 0.817 280 S N -0.237 115.476 115.700 0.022 0.000 2.478 280 S HA 1.032 5.510 4.470 0.014 0.000 0.312 280 S C 0.011 174.682 174.600 0.119 0.000 1.094 280 S CA -0.008 58.247 58.200 0.092 0.000 1.081 280 S CB 0.782 64.030 63.200 0.080 0.000 1.007 280 S HN 2.576 nan 8.310 nan 0.000 0.475 281 L N 2.378 123.698 121.223 0.161 0.000 2.410 281 L HA 0.845 5.193 4.340 0.014 0.000 0.273 281 L C -0.920 176.031 176.870 0.134 0.000 1.144 281 L CA -0.961 53.964 54.840 0.142 0.000 0.863 281 L CB -0.583 41.553 42.059 0.129 0.000 1.140 281 L HN 0.798 nan 8.230 nan 0.000 0.463 282 P HA 0.093 nan 4.420 nan 0.000 0.266 282 P C 0.841 178.229 177.300 0.145 0.000 1.195 282 P CA 0.953 64.139 63.100 0.144 0.000 0.768 282 P CB 0.032 31.786 31.700 0.089 0.000 0.838 283 W N 2.992 124.354 121.300 0.104 0.000 2.321 283 W HA -0.186 4.480 4.660 0.009 0.000 0.306 283 W C 1.924 178.514 176.519 0.118 0.000 1.217 283 W CA 3.275 60.711 57.345 0.151 0.000 1.257 283 W CB -0.889 28.668 29.460 0.162 0.000 1.145 283 W HN 0.496 nan 8.180 nan 0.000 0.509 284 E N 1.078 120.498 120.200 -1.301 0.000 2.072 284 E HA -0.222 4.136 4.350 0.014 0.000 0.191 284 E C 1.933 178.209 176.600 -0.540 0.000 0.985 284 E CA 1.632 57.264 56.400 -1.280 0.000 0.801 284 E CB -1.087 27.797 29.700 -1.360 0.000 0.750 284 E HN 0.553 nan 8.360 nan 0.000 0.452 285 E N 0.284 120.285 120.200 -0.332 0.000 2.072 285 E HA -0.188 4.170 4.350 0.014 0.000 0.191 285 E C 2.326 178.845 176.600 -0.134 0.000 0.985 285 E CA 1.431 57.729 56.400 -0.170 0.000 0.801 285 E CB -0.177 29.481 29.700 -0.071 0.000 0.750 285 E HN 0.531 nan 8.360 nan 0.000 0.452 286 R N 0.900 121.346 120.500 -0.089 0.000 2.092 286 R HA -0.118 4.230 4.340 0.014 0.000 0.231 286 R C 2.649 178.860 176.300 -0.149 0.000 1.119 286 R CA 1.622 57.702 56.100 -0.034 0.000 0.970 286 R CB -0.338 30.026 30.300 0.106 0.000 0.864 286 R HN 0.072 nan 8.270 nan 0.000 0.440 287 R N 0.309 120.597 120.500 -0.352 0.000 2.152 287 R HA -0.144 4.205 4.340 0.014 0.000 0.232 287 R C 2.180 178.260 176.300 -0.368 0.000 1.117 287 R CA 1.462 57.126 56.100 -0.727 0.000 0.981 287 R CB -0.537 29.256 30.300 -0.844 0.000 0.870 287 R HN 0.198 nan 8.270 nan 0.000 0.451 288 R N 0.578 120.929 120.500 -0.248 0.000 2.055 288 R HA -0.001 4.348 4.340 0.014 0.000 0.228 288 R C 2.178 178.403 176.300 -0.125 0.000 1.143 288 R CA 0.859 56.861 56.100 -0.163 0.000 0.945 288 R CB -0.102 30.114 30.300 -0.140 0.000 0.841 288 R HN 0.160 nan 8.270 nan 0.000 0.429 289 R N 0.187 120.620 120.500 -0.112 0.000 2.139 289 R HA -0.105 4.244 4.340 0.014 0.000 0.243 289 R C 2.141 178.384 176.300 -0.096 0.000 1.145 289 R CA 1.804 57.844 56.100 -0.099 0.000 0.976 289 R CB -1.020 29.224 30.300 -0.094 0.000 0.866 289 R HN 0.353 nan 8.270 nan 0.000 0.449 290 T N 1.087 115.599 114.554 -0.070 0.000 2.674 290 T HA -0.126 4.232 4.350 0.014 0.000 0.265 290 T C 1.941 176.620 174.700 -0.035 0.000 1.039 290 T CA 1.477 63.582 62.100 0.009 0.000 1.150 290 T CB -0.094 68.837 68.868 0.105 0.000 0.864 290 T HN 0.365 nan 8.240 nan 0.000 0.427 291 R N 1.040 121.518 120.500 -0.038 0.000 2.073 291 R HA -0.077 4.272 4.340 0.014 0.000 0.234 291 R C 2.534 178.723 176.300 -0.186 0.000 1.134 291 R CA 1.456 57.493 56.100 -0.104 0.000 0.952 291 R CB -0.329 29.934 30.300 -0.062 0.000 0.850 291 R HN 0.555 nan 8.270 nan 0.000 0.433 292 E N 0.787 120.912 120.200 -0.126 0.000 2.033 292 E HA -0.215 4.143 4.350 0.014 0.000 0.199 292 E C 2.113 178.655 176.600 -0.097 0.000 1.011 292 E CA 1.322 57.664 56.400 -0.097 0.000 0.815 292 E CB -0.161 29.489 29.700 -0.084 0.000 0.755 292 E HN 0.214 nan 8.360 nan 0.000 0.451 293 I N 1.292 121.779 120.570 -0.138 0.000 2.151 293 I HA -0.324 3.854 4.170 0.014 0.000 0.243 293 I C 2.599 178.650 176.117 -0.111 0.000 1.080 293 I CA 1.426 62.647 61.300 -0.131 0.000 1.339 293 I CB -1.543 36.358 38.000 -0.166 0.000 1.039 293 I HN 0.080 nan 8.210 nan 0.000 0.409 294 A N 0.851 123.474 122.820 -0.329 0.000 1.859 294 A HA -0.269 4.060 4.320 0.014 0.000 0.218 294 A C 2.603 180.026 177.584 -0.268 0.000 1.209 294 A CA 2.843 54.570 52.037 -0.517 0.000 0.639 294 A CB -1.149 17.071 19.000 -1.300 0.000 0.835 294 A HN 0.459 nan 8.150 nan 0.000 0.450 295 S N -1.872 113.699 115.700 -0.214 0.000 2.374 295 S HA -0.253 4.225 4.470 0.014 0.000 0.227 295 S C 1.513 176.090 174.600 -0.038 0.000 1.037 295 S CA 1.651 59.784 58.200 -0.112 0.000 1.024 295 S CB -0.569 62.584 63.200 -0.078 0.000 0.861 295 S HN 0.738 nan 8.310 nan 0.000 0.456 296 W N 2.134 123.339 121.300 -0.159 0.000 2.354 296 W HA -0.205 4.465 4.660 0.017 0.000 0.315 296 W C 2.642 179.086 176.519 -0.124 0.000 1.206 296 W CA 2.184 59.455 57.345 -0.123 0.000 1.290 296 W CB -0.683 28.709 29.460 -0.113 0.000 1.152 296 W HN 0.218 nan 8.180 nan 0.000 0.489 297 I N 0.546 121.285 120.570 0.282 0.000 2.439 297 I HA 0.068 4.246 4.170 0.014 0.000 0.251 297 I C 2.167 178.225 176.117 -0.099 0.000 1.139 297 I CA 2.332 63.708 61.300 0.128 0.000 1.438 297 I CB -1.953 36.138 38.000 0.151 0.000 1.085 297 I HN 0.256 nan 8.210 nan 0.000 0.427 298 G N -0.364 108.365 108.800 -0.119 0.000 2.422 298 G HA2 -0.192 3.776 3.960 0.014 0.000 0.218 298 G HA3 -0.192 3.776 3.960 0.014 0.000 0.218 298 G C 1.928 176.729 174.900 -0.164 0.000 1.140 298 G CA 0.876 45.890 45.100 -0.144 0.000 0.775 298 G HN 0.679 nan 8.290 nan 0.000 0.545 299 R N 0.243 120.625 120.500 -0.197 0.000 2.080 299 R HA 0.116 4.464 4.340 0.014 0.000 0.222 299 R C 2.505 178.640 176.300 -0.274 0.000 1.107 299 R CA 0.405 56.375 56.100 -0.216 0.000 0.980 299 R CB -0.258 29.910 30.300 -0.221 0.000 0.879 299 R HN 0.191 nan 8.270 nan 0.000 0.439 300 R N 0.143 120.398 120.500 -0.408 0.000 2.153 300 R HA -0.011 4.338 4.340 0.014 0.000 0.218 300 R C 1.944 178.073 176.300 -0.285 0.000 1.072 300 R CA 0.671 56.504 56.100 -0.445 0.000 0.990 300 R CB -0.077 29.743 30.300 -0.800 0.000 0.889 300 R HN 0.182 nan 8.270 nan 0.000 0.452 301 L N -0.302 120.779 121.223 -0.237 0.000 2.492 301 L HA 0.163 4.512 4.340 0.014 0.000 0.223 301 L C 0.860 177.636 176.870 -0.157 0.000 1.132 301 L CA 0.865 55.602 54.840 -0.172 0.000 0.850 301 L CB -0.090 41.872 42.059 -0.161 0.000 0.966 301 L HN 0.378 nan 8.230 nan 0.000 0.454 302 G N -0.003 108.702 108.800 -0.158 0.000 2.368 302 G HA2 -0.255 3.714 3.960 0.014 0.000 0.290 302 G HA3 -0.255 3.714 3.960 0.014 0.000 0.290 302 G C 0.443 175.270 174.900 -0.121 0.000 1.098 302 G CA 0.397 45.421 45.100 -0.126 0.000 1.073 302 G HN 0.335 nan 8.290 nan 0.000 0.511 303 L N -0.539 120.607 121.223 -0.129 0.000 3.039 303 L HA 0.553 4.901 4.340 0.014 0.000 0.269 303 L C 1.490 178.325 176.870 -0.057 0.000 1.169 303 L CA 0.455 55.222 54.840 -0.121 0.000 0.986 303 L CB 0.441 42.367 42.059 -0.221 0.000 1.377 303 L HN 1.431 nan 8.230 nan 0.000 0.575 304 G N 0.100 108.860 108.800 -0.066 0.000 2.483 304 G HA2 -0.179 3.789 3.960 0.014 0.000 0.521 304 G HA3 -0.179 3.789 3.960 0.014 0.000 0.521 304 G C -0.472 174.398 174.900 -0.050 0.000 1.278 304 G CA -0.644 44.430 45.100 -0.043 0.000 0.965 304 G HN -0.149 nan 8.290 nan 0.000 0.504 305 T N 3.320 117.854 114.554 -0.032 0.000 2.761 305 T HA 0.522 4.880 4.350 0.014 0.000 0.296 305 T C -2.127 172.564 174.700 -0.014 0.000 0.934 305 T CA -0.241 61.840 62.100 -0.033 0.000 1.091 305 T CB 1.158 70.013 68.868 -0.021 0.000 0.896 305 T HN 0.504 nan 8.240 nan 0.000 0.515 306 P HA 0.296 nan 4.420 nan 0.000 0.261 306 P C -0.227 177.136 177.300 0.104 0.000 1.203 306 P CA 0.239 63.342 63.100 0.005 0.000 0.767 306 P CB 0.101 31.695 31.700 -0.177 0.000 0.785 307 E N 2.836 123.125 120.200 0.148 0.000 2.073 307 E HA 0.562 4.921 4.350 0.014 0.000 0.269 307 E C 0.316 176.989 176.600 0.121 0.000 0.917 307 E CA -0.827 55.641 56.400 0.113 0.000 0.757 307 E CB 0.778 30.515 29.700 0.063 0.000 1.111 307 E HN 0.632 nan 8.360 nan 0.000 0.410 308 A N 1.582 124.451 122.820 0.080 0.000 2.586 308 A HA 0.402 4.731 4.320 0.014 0.000 0.231 308 A C 0.435 177.941 177.584 -0.130 0.000 1.055 308 A CA 0.076 52.005 52.037 -0.179 0.000 0.756 308 A CB 0.331 19.122 19.000 -0.349 0.000 0.988 308 A HN 0.981 nan 8.150 nan 0.000 0.509 309 V N 2.934 122.732 119.914 -0.193 0.000 2.333 309 V HA 0.589 4.717 4.120 0.014 0.000 0.274 309 V C 0.972 177.115 176.094 0.080 0.000 1.028 309 V CA 0.184 62.459 62.300 -0.041 0.000 0.851 309 V CB 0.439 32.227 31.823 -0.059 0.000 1.000 309 V HN 1.211 nan 8.190 nan 0.000 0.456 310 R N 3.150 123.719 120.500 0.115 0.000 2.500 310 R HA 0.930 5.279 4.340 0.014 0.000 0.277 310 R C -0.039 176.296 176.300 0.059 0.000 1.026 310 R CA 0.104 56.288 56.100 0.141 0.000 1.058 310 R CB 1.290 31.671 30.300 0.135 0.000 1.078 310 R HN 1.446 nan 8.270 nan 0.000 0.509 311 A N 1.234 124.064 122.820 0.016 0.000 2.612 311 A HA 0.617 4.945 4.320 0.014 0.000 0.293 311 A C -1.417 176.117 177.584 -0.084 0.000 1.075 311 A CA -0.651 51.374 52.037 -0.020 0.000 0.680 311 A CB 1.817 20.814 19.000 -0.005 0.000 1.279 311 A HN 0.991 nan 8.150 nan 0.000 0.411 312 Q N 1.106 120.836 119.800 -0.115 0.000 2.256 312 Q HA 0.778 5.126 4.340 0.014 0.000 0.257 312 Q C -0.290 175.515 176.000 -0.325 0.000 0.936 312 Q CA -0.010 55.650 55.803 -0.238 0.000 0.903 312 Q CB 1.554 30.134 28.738 -0.263 0.000 1.263 312 Q HN 1.328 nan 8.270 nan 0.000 0.440 313 A N 2.784 125.359 122.820 -0.407 0.000 2.373 313 A HA 0.865 5.193 4.320 0.014 0.000 0.291 313 A C -1.444 175.786 177.584 -0.591 0.000 1.171 313 A CA -0.698 51.142 52.037 -0.329 0.000 0.922 313 A CB 1.128 20.033 19.000 -0.158 0.000 1.400 313 A HN 0.695 nan 8.150 nan 0.000 0.474 314 Y N -1.040 119.235 120.300 -0.041 0.000 2.401 314 Y HA 0.525 5.083 4.550 0.013 0.000 0.330 314 Y C -0.010 175.890 175.900 0.001 0.000 1.071 314 Y CA -0.757 57.352 58.100 0.015 0.000 1.049 314 Y CB 1.526 40.056 38.460 0.116 0.000 1.239 314 Y HN 0.726 nan 8.280 nan 0.000 0.437 315 R N 2.903 123.461 120.500 0.097 0.000 2.421 315 R HA 0.340 4.688 4.340 0.014 0.000 0.305 315 R C -1.287 175.031 176.300 0.030 0.000 1.039 315 R CA 0.270 56.382 56.100 0.020 0.000 1.003 315 R CB -0.198 30.104 30.300 0.004 0.000 0.959 315 R HN 0.783 nan 8.270 nan 0.000 0.427 316 L N 2.985 124.164 121.223 -0.073 0.000 2.360 316 L HA 0.362 4.710 4.340 0.014 0.000 0.271 316 L C 0.223 177.091 176.870 -0.002 0.000 1.057 316 L CA -0.788 54.014 54.840 -0.064 0.000 0.803 316 L CB 1.762 43.674 42.059 -0.245 0.000 1.207 316 L HN 0.715 nan 8.230 nan 0.000 0.445 317 S N 2.236 118.043 115.700 0.178 0.000 2.552 317 S HA 0.169 4.648 4.470 0.014 0.000 0.289 317 S C 0.022 174.770 174.600 0.247 0.000 1.304 317 S CA -0.325 58.026 58.200 0.251 0.000 1.063 317 S CB -0.021 63.418 63.200 0.398 0.000 0.848 317 S HN 0.255 nan 8.310 nan 0.000 0.499 318 I N 4.537 125.216 120.570 0.182 0.000 2.556 318 I HA 0.168 4.346 4.170 0.014 0.000 0.284 318 I C -1.885 174.331 176.117 0.166 0.000 1.114 318 I CA -1.941 59.444 61.300 0.141 0.000 1.418 318 I CB 0.004 38.065 38.000 0.101 0.000 1.394 318 I HN 0.367 nan 8.210 nan 0.000 0.552 319 P HA 0.139 nan 4.420 nan 0.000 0.271 319 P C -0.423 176.943 177.300 0.109 0.000 1.233 319 P CA -0.303 62.871 63.100 0.123 0.000 0.789 319 P CB 0.410 31.978 31.700 -0.220 0.000 0.951 320 K N 1.681 122.160 120.400 0.132 0.000 2.724 320 K HA 0.262 4.591 4.320 0.014 0.000 0.198 320 K C 0.204 176.826 176.600 0.037 0.000 1.099 320 K CA -0.417 55.913 56.287 0.072 0.000 1.025 320 K CB -0.936 31.606 32.500 0.071 0.000 1.509 320 K HN 0.395 nan 8.250 nan 0.000 0.564 321 L N 0.770 121.994 121.223 0.002 0.000 2.506 321 L HA 0.351 4.699 4.340 0.014 0.000 0.281 321 L C 0.493 177.372 176.870 0.014 0.000 1.228 321 L CA 0.377 55.206 54.840 -0.018 0.000 0.850 321 L CB 0.812 42.861 42.059 -0.017 0.000 1.110 321 L HN 0.752 nan 8.230 nan 0.000 0.496 322 M N 1.585 121.192 119.600 0.012 0.000 2.296 322 M HA 0.300 4.788 4.480 0.014 0.000 0.268 322 M C -0.097 176.294 176.300 0.152 0.000 1.048 322 M CA -0.271 55.074 55.300 0.075 0.000 0.966 322 M CB 1.600 34.261 32.600 0.102 0.000 1.912 322 M HN 0.628 nan 8.290 nan 0.000 0.484 323 G N 2.353 111.238 108.800 0.141 0.000 3.287 323 G HA2 0.154 4.122 3.960 0.014 0.000 0.172 323 G HA3 0.154 4.122 3.960 0.014 0.000 0.172 323 G C 0.574 175.572 174.900 0.162 0.000 1.922 323 G CA 0.016 45.226 45.100 0.185 0.000 0.952 323 G HN 0.779 nan 8.290 nan 0.000 0.520 324 R N -0.379 120.145 120.500 0.040 0.000 2.193 324 R HA 0.151 4.499 4.340 0.014 0.000 0.213 324 R C 0.690 176.988 176.300 -0.003 0.000 1.055 324 R CA 0.495 56.583 56.100 -0.020 0.000 0.995 324 R CB 0.067 30.326 30.300 -0.068 0.000 0.893 324 R HN 0.260 nan 8.270 nan 0.000 0.459 325 R N -1.151 119.357 120.500 0.013 0.000 2.855 325 R HA 0.426 4.774 4.340 0.014 0.000 0.266 325 R C -1.106 175.215 176.300 0.034 0.000 1.034 325 R CA -0.671 55.439 56.100 0.017 0.000 0.944 325 R CB 1.573 31.871 30.300 -0.003 0.000 1.219 325 R HN 0.084 nan 8.270 nan 0.000 0.474 326 A N 0.901 123.741 122.820 0.033 0.000 2.547 326 A HA 0.334 4.662 4.320 0.014 0.000 0.233 326 A C -0.203 177.399 177.584 0.031 0.000 1.067 326 A CA 0.183 52.242 52.037 0.037 0.000 0.763 326 A CB 0.420 19.439 19.000 0.033 0.000 1.007 326 A HN 0.428 nan 8.150 nan 0.000 0.506 327 V N 1.350 121.286 119.914 0.036 0.000 3.098 327 V HA 0.460 4.588 4.120 0.014 0.000 0.294 327 V C 0.765 176.891 176.094 0.052 0.000 1.351 327 V CA 0.265 62.586 62.300 0.036 0.000 0.999 327 V CB 1.977 33.816 31.823 0.027 0.000 1.104 327 V HN 1.602 nan 8.190 nan 0.000 0.438 328 S N 3.724 119.462 115.700 0.062 0.000 2.404 328 S HA 0.221 4.699 4.470 0.014 0.000 0.223 328 S C 0.483 175.191 174.600 0.181 0.000 1.040 328 S CA 0.738 58.999 58.200 0.102 0.000 0.957 328 S CB -0.094 63.158 63.200 0.087 0.000 0.826 328 S HN 1.006 nan 8.310 nan 0.000 0.491 329 K N 0.281 120.742 120.400 0.103 0.000 2.469 329 K HA 0.486 4.815 4.320 0.014 0.000 0.254 329 K C -3.108 173.476 176.600 -0.026 0.000 0.939 329 K CA -2.124 54.205 56.287 0.069 0.000 0.812 329 K CB 1.691 34.115 32.500 -0.126 0.000 1.301 329 K HN -0.240 nan 8.250 nan 0.000 0.433 330 P HA -0.232 nan 4.420 nan 0.000 0.216 330 P C 1.197 178.409 177.300 -0.146 0.000 1.150 330 P CA 2.068 65.137 63.100 -0.053 0.000 0.843 330 P CB 0.032 31.703 31.700 -0.048 0.000 0.787 331 A N -0.345 122.260 122.820 -0.359 0.000 2.070 331 A HA -0.182 4.146 4.320 0.014 0.000 0.220 331 A C 1.715 179.156 177.584 -0.239 0.000 1.159 331 A CA 1.643 53.389 52.037 -0.485 0.000 0.656 331 A CB -1.122 17.051 19.000 -1.378 0.000 0.800 331 A HN 0.121 nan 8.150 nan 0.000 0.453 332 D N -0.257 120.049 120.400 -0.157 0.000 2.349 332 D HA 0.185 4.833 4.640 0.014 0.000 0.224 332 D C 1.495 177.763 176.300 -0.053 0.000 1.029 332 D CA 0.879 54.838 54.000 -0.067 0.000 0.879 332 D CB 0.101 40.882 40.800 -0.031 0.000 0.906 332 D HN 0.459 nan 8.370 nan 0.000 0.528 333 A N 0.058 122.849 122.820 -0.048 0.000 2.251 333 A HA 0.137 4.466 4.320 0.014 0.000 0.209 333 A C 1.879 179.377 177.584 -0.143 0.000 1.187 333 A CA -0.032 51.978 52.037 -0.044 0.000 0.823 333 A CB -0.218 18.817 19.000 0.058 0.000 0.846 333 A HN 0.168 nan 8.150 nan 0.000 0.486 334 L N -0.570 120.596 121.223 -0.096 0.000 2.529 334 L HA 0.042 4.390 4.340 0.014 0.000 0.223 334 L C 2.550 179.343 176.870 -0.128 0.000 1.113 334 L CA 0.329 55.098 54.840 -0.118 0.000 0.861 334 L CB -0.091 41.985 42.059 0.028 0.000 1.012 334 L HN 0.470 nan 8.230 nan 0.000 0.461 335 R N -1.029 119.412 120.500 -0.099 0.000 2.250 335 R HA 0.124 4.473 4.340 0.014 0.000 0.194 335 R C 1.635 177.875 176.300 -0.100 0.000 0.927 335 R CA 0.527 56.583 56.100 -0.073 0.000 1.052 335 R CB -0.444 29.840 30.300 -0.027 0.000 1.055 335 R HN 0.122 nan 8.270 nan 0.000 0.537 336 V N 0.872 120.717 119.914 -0.114 0.000 2.599 336 V HA 0.233 4.361 4.120 0.014 0.000 0.245 336 V C 1.138 177.134 176.094 -0.162 0.000 1.046 336 V CA 1.312 63.550 62.300 -0.104 0.000 1.065 336 V CB -0.471 31.314 31.823 -0.063 0.000 0.703 336 V HN 0.733 nan 8.190 nan 0.000 0.464 337 G N -0.835 107.798 108.800 -0.279 0.000 2.406 337 G HA2 0.055 4.023 3.960 0.014 0.000 0.680 337 G HA3 0.055 4.023 3.960 0.014 0.000 0.680 337 G C -0.881 173.807 174.900 -0.354 0.000 1.338 337 G CA -0.955 43.894 45.100 -0.418 0.000 0.941 337 G HN -0.013 nan 8.290 nan 0.000 0.633 338 F N -0.644 119.235 119.950 -0.118 0.000 2.352 338 F HA 0.581 5.116 4.527 0.013 0.000 0.304 338 F C 1.593 177.381 175.800 -0.020 0.000 1.215 338 F CA -0.206 57.745 58.000 -0.082 0.000 1.121 338 F CB 0.295 39.201 39.000 -0.157 0.000 1.329 338 F HN 0.577 nan 8.300 nan 0.000 0.528 339 Y N 0.509 120.892 120.300 0.139 0.000 2.347 339 Y HA 0.285 4.844 4.550 0.014 0.000 0.294 339 Y C 1.238 177.152 175.900 0.023 0.000 1.117 339 Y CA 1.371 59.496 58.100 0.043 0.000 1.184 339 Y CB 0.180 38.649 38.460 0.015 0.000 1.047 339 Y HN 0.375 nan 8.280 nan 0.000 0.546 340 R N 0.079 120.608 120.500 0.049 0.000 3.033 340 R HA 0.724 5.072 4.340 0.014 0.000 0.236 340 R C -1.058 175.245 176.300 0.005 0.000 1.774 340 R CA -0.001 56.075 56.100 -0.040 0.000 1.401 340 R CB -0.808 29.476 30.300 -0.027 0.000 1.539 340 R HN 0.446 nan 8.270 nan 0.000 0.618 341 A N 0.558 123.381 122.820 0.004 0.000 2.327 341 A HA 0.850 5.179 4.320 0.014 0.000 0.283 341 A C 0.510 178.099 177.584 0.008 0.000 1.127 341 A CA 0.402 52.423 52.037 -0.026 0.000 0.810 341 A CB 0.711 19.681 19.000 -0.050 0.000 1.066 341 A HN 1.717 nan 8.150 nan 0.000 0.492 342 Q N 0.398 120.228 119.800 0.050 0.000 2.495 342 Q HA 0.585 4.933 4.340 0.014 0.000 0.283 342 Q C -0.189 175.903 176.000 0.152 0.000 1.097 342 Q CA -0.370 55.478 55.803 0.075 0.000 0.836 342 Q CB 0.303 29.068 28.738 0.046 0.000 1.426 342 Q HN 0.913 nan 8.270 nan 0.000 0.459 343 E N 0.980 121.249 120.200 0.115 0.000 2.271 343 E HA 0.212 4.571 4.350 0.014 0.000 0.255 343 E C -0.724 175.943 176.600 0.111 0.000 1.177 343 E CA 0.359 56.831 56.400 0.120 0.000 0.946 343 E CB 0.063 29.805 29.700 0.069 0.000 1.009 343 E HN 0.559 nan 8.360 nan 0.000 0.451 344 T N 2.476 117.116 114.554 0.142 0.000 2.876 344 T HA 0.653 5.011 4.350 0.014 0.000 0.289 344 T C -1.271 173.433 174.700 0.005 0.000 1.014 344 T CA -0.440 61.714 62.100 0.091 0.000 0.986 344 T CB 1.327 70.292 68.868 0.162 0.000 1.021 344 T HN 0.431 nan 8.240 nan 0.000 0.458 345 A N 4.131 126.964 122.820 0.021 0.000 2.318 345 A HA 0.804 5.132 4.320 0.014 0.000 0.324 345 A C -1.380 176.231 177.584 0.045 0.000 1.170 345 A CA -0.563 51.503 52.037 0.048 0.000 0.810 345 A CB 0.628 19.695 19.000 0.112 0.000 1.198 345 A HN 0.639 nan 8.150 nan 0.000 0.484 346 L N 1.123 122.396 121.223 0.083 0.000 2.333 346 L HA 0.863 5.211 4.340 0.014 0.000 0.269 346 L C 0.500 177.527 176.870 0.261 0.000 1.010 346 L CA -0.146 54.773 54.840 0.131 0.000 0.818 346 L CB 1.744 43.877 42.059 0.123 0.000 1.306 346 L HN 0.871 nan 8.230 nan 0.000 0.430 347 A N 1.576 124.528 122.820 0.221 0.000 2.384 347 A HA 0.883 5.212 4.320 0.014 0.000 0.312 347 A C -1.646 175.999 177.584 0.101 0.000 1.113 347 A CA -0.491 51.666 52.037 0.200 0.000 0.779 347 A CB 1.571 20.587 19.000 0.026 0.000 1.307 347 A HN 0.568 nan 8.150 nan 0.000 0.436 348 L N 1.328 122.499 121.223 -0.086 0.000 2.356 348 L HA 0.776 5.124 4.340 0.014 0.000 0.277 348 L C -1.450 175.227 176.870 -0.321 0.000 0.996 348 L CA -0.588 53.968 54.840 -0.473 0.000 0.822 348 L CB 1.599 42.921 42.059 -1.227 0.000 1.256 348 L HN 0.680 nan 8.230 nan 0.000 0.413 349 L N 5.168 126.235 121.223 -0.260 0.000 2.349 349 L HA 0.623 4.972 4.340 0.014 0.000 0.278 349 L C -0.940 175.829 176.870 -0.168 0.000 0.996 349 L CA -0.210 54.532 54.840 -0.162 0.000 0.825 349 L CB 1.365 43.382 42.059 -0.069 0.000 1.243 349 L HN 0.631 nan 8.230 nan 0.000 0.412 350 R N 5.421 125.838 120.500 -0.139 0.000 2.265 350 R HA 0.449 4.797 4.340 0.014 0.000 0.328 350 R C 0.112 176.383 176.300 -0.049 0.000 0.969 350 R CA -0.392 55.643 56.100 -0.108 0.000 0.832 350 R CB 1.096 31.332 30.300 -0.106 0.000 1.139 350 R HN 0.760 nan 8.270 nan 0.000 0.457 351 L N 2.202 123.387 121.223 -0.063 0.000 2.628 351 L HA 0.085 4.434 4.340 0.014 0.000 0.229 351 L C 0.492 177.390 176.870 0.046 0.000 1.137 351 L CA -0.058 54.766 54.840 -0.027 0.000 0.909 351 L CB -0.513 41.479 42.059 -0.111 0.000 1.137 351 L HN 0.630 nan 8.230 nan 0.000 0.470 352 D N -0.541 119.868 120.400 0.015 0.000 2.350 352 D HA 0.150 4.798 4.640 0.014 0.000 0.272 352 D C 1.349 177.663 176.300 0.023 0.000 1.204 352 D CA 0.261 54.270 54.000 0.015 0.000 1.124 352 D CB -0.255 40.542 40.800 -0.005 0.000 1.189 352 D HN -0.124 nan 8.370 nan 0.000 0.556 353 G N -0.389 108.417 108.800 0.010 0.000 2.615 353 G HA2 0.357 4.325 3.960 0.014 0.000 0.213 353 G HA3 0.357 4.325 3.960 0.014 0.000 0.213 353 G C 0.851 175.757 174.900 0.011 0.000 1.215 353 G CA 0.816 45.922 45.100 0.010 0.000 0.843 353 G HN 0.709 nan 8.290 nan 0.000 0.571 354 A N -0.692 122.130 122.820 0.003 0.000 2.339 354 A HA 0.500 4.828 4.320 0.014 0.000 0.272 354 A C 0.314 177.898 177.584 -0.001 0.000 1.182 354 A CA 0.581 52.619 52.037 0.003 0.000 0.819 354 A CB 0.046 19.045 19.000 -0.001 0.000 1.115 354 A HN 0.520 nan 8.150 nan 0.000 0.512 355 Q N -1.460 118.342 119.800 0.003 0.000 2.345 355 Q HA 0.510 4.858 4.340 0.014 0.000 0.275 355 Q C -0.366 175.633 176.000 -0.002 0.000 1.063 355 Q CA -0.046 55.763 55.803 0.010 0.000 0.819 355 Q CB 1.814 30.593 28.738 0.069 0.000 1.356 355 Q HN 2.520 nan 8.270 nan 0.000 0.418 356 G N 1.558 110.330 108.800 -0.046 0.000 2.746 356 G HA2 -0.237 3.731 3.960 0.014 0.000 0.685 356 G HA3 -0.237 3.731 3.960 0.014 0.000 0.685 356 G C -1.414 173.443 174.900 -0.071 0.000 1.350 356 G CA -0.468 44.622 45.100 -0.017 0.000 0.837 356 G HN 0.588 nan 8.290 nan 0.000 0.564 357 W N 0.860 122.112 121.300 -0.081 0.000 2.216 357 W HA 0.502 5.170 4.660 0.014 0.000 0.326 357 W C -1.340 175.089 176.519 -0.151 0.000 1.319 357 W CA -0.753 56.515 57.345 -0.128 0.000 1.213 357 W CB 0.097 29.474 29.460 -0.138 0.000 1.171 357 W HN 0.519 nan 8.180 nan 0.000 0.557 358 P HA 0.097 nan 4.420 nan 0.000 0.269 358 P C 0.978 178.183 177.300 -0.158 0.000 1.209 358 P CA 0.498 63.522 63.100 -0.127 0.000 0.776 358 P CB 0.545 32.006 31.700 -0.398 0.000 0.876 359 E N 2.636 122.845 120.200 0.014 0.000 2.055 359 E HA -0.280 4.078 4.350 0.014 0.000 0.209 359 E C 1.548 178.139 176.600 -0.014 0.000 1.036 359 E CA 2.545 58.974 56.400 0.049 0.000 0.849 359 E CB -1.863 27.913 29.700 0.127 0.000 0.767 359 E HN 0.653 nan 8.360 nan 0.000 0.461 360 F N 0.771 120.618 119.950 -0.172 0.000 2.102 360 F HA 0.131 4.666 4.527 0.012 0.000 0.298 360 F C 2.942 178.577 175.800 -0.276 0.000 1.105 360 F CA 1.922 59.764 58.000 -0.264 0.000 1.239 360 F CB -1.355 37.357 39.000 -0.481 0.000 0.991 360 F HN 0.303 nan 8.300 nan 0.000 0.474 361 L N 0.855 121.407 121.223 -1.120 0.000 2.129 361 L HA -0.118 4.230 4.340 0.014 0.000 0.212 361 L C 2.663 179.407 176.870 -0.210 0.000 1.087 361 L CA 2.733 57.221 54.840 -0.586 0.000 0.757 361 L CB -1.855 39.876 42.059 -0.547 0.000 0.896 361 L HN 0.508 nan 8.230 nan 0.000 0.434 362 R N -0.750 119.619 120.500 -0.219 0.000 2.055 362 R HA -0.089 4.259 4.340 0.014 0.000 0.228 362 R C 2.865 179.067 176.300 -0.164 0.000 1.143 362 R CA 2.160 58.105 56.100 -0.257 0.000 0.945 362 R CB -0.405 29.753 30.300 -0.238 0.000 0.841 362 R HN 0.551 nan 8.270 nan 0.000 0.429 363 R N 0.563 121.011 120.500 -0.086 0.000 2.096 363 R HA -0.112 4.236 4.340 0.014 0.000 0.240 363 R C 2.369 178.686 176.300 0.028 0.000 1.139 363 R CA 2.047 58.134 56.100 -0.022 0.000 0.952 363 R CB -1.844 28.468 30.300 0.019 0.000 0.854 363 R HN 0.568 nan 8.270 nan 0.000 0.436 364 A N 0.557 123.427 122.820 0.083 0.000 1.948 364 A HA -0.039 4.289 4.320 0.014 0.000 0.220 364 A C 2.531 180.210 177.584 0.158 0.000 1.177 364 A CA 1.650 53.804 52.037 0.195 0.000 0.636 364 A CB -0.357 18.891 19.000 0.414 0.000 0.815 364 A HN 0.504 nan 8.150 nan 0.000 0.449 365 L N -1.021 120.254 121.223 0.088 0.000 2.095 365 L HA -0.070 4.278 4.340 0.014 0.000 0.204 365 L C 2.484 179.415 176.870 0.102 0.000 1.080 365 L CA 0.704 55.607 54.840 0.104 0.000 0.759 365 L CB -0.341 41.675 42.059 -0.071 0.000 0.914 365 L HN 0.370 nan 8.230 nan 0.000 0.439 366 L N -0.531 120.686 121.223 -0.010 0.000 2.131 366 L HA -0.210 4.139 4.340 0.014 0.000 0.210 366 L C 2.815 179.718 176.870 0.055 0.000 1.092 366 L CA 0.990 55.827 54.840 -0.005 0.000 0.759 366 L CB -0.565 41.458 42.059 -0.061 0.000 0.903 366 L HN 0.304 nan 8.230 nan 0.000 0.435 367 R N 0.866 121.397 120.500 0.052 0.000 2.075 367 R HA -0.196 4.152 4.340 0.014 0.000 0.230 367 R C 2.349 178.656 176.300 0.013 0.000 1.140 367 R CA 1.727 57.847 56.100 0.034 0.000 0.928 367 R CB -0.420 29.905 30.300 0.041 0.000 0.834 367 R HN 0.273 nan 8.270 nan 0.000 0.429 368 A N 0.532 123.364 122.820 0.020 0.000 1.892 368 A HA -0.192 4.136 4.320 0.014 0.000 0.218 368 A C 2.028 179.482 177.584 -0.216 0.000 1.188 368 A CA 1.636 53.580 52.037 -0.156 0.000 0.631 368 A CB -0.848 18.097 19.000 -0.091 0.000 0.822 368 A HN 0.467 nan 8.150 nan 0.000 0.447 369 F N 0.039 119.936 119.950 -0.089 0.000 2.661 369 F HA 0.124 4.659 4.527 0.013 0.000 0.298 369 F C 2.343 178.115 175.800 -0.047 0.000 1.137 369 F CA 0.536 58.525 58.000 -0.019 0.000 1.454 369 F CB -0.305 38.719 39.000 0.042 0.000 1.103 369 F HN 0.277 nan 8.300 nan 0.000 0.577 370 G N -0.623 108.222 108.800 0.076 0.000 2.408 370 G HA2 -0.067 3.901 3.960 0.014 0.000 0.213 370 G HA3 -0.067 3.901 3.960 0.014 0.000 0.213 370 G C 1.922 176.799 174.900 -0.038 0.000 1.177 370 G CA 0.637 45.750 45.100 0.021 0.000 0.802 370 G HN 0.354 nan 8.290 nan 0.000 0.533 371 A N 1.091 123.859 122.820 -0.087 0.000 1.902 371 A HA 0.169 4.498 4.320 0.014 0.000 0.217 371 A C 2.810 180.305 177.584 -0.149 0.000 1.181 371 A CA 2.590 54.556 52.037 -0.118 0.000 0.623 371 A CB -1.011 17.898 19.000 -0.151 0.000 0.818 371 A HN 0.684 nan 8.150 nan 0.000 0.443 372 S N -1.724 113.840 115.700 -0.228 0.000 2.447 372 S HA 0.292 4.770 4.470 0.014 0.000 0.233 372 S C 1.922 176.456 174.600 -0.111 0.000 1.006 372 S CA 1.607 59.675 58.200 -0.219 0.000 0.957 372 S CB -0.566 62.425 63.200 -0.348 0.000 0.773 372 S HN 2.048 nan 8.310 nan 0.000 0.507 373 G N -0.993 107.767 108.800 -0.067 0.000 2.157 373 G HA2 0.196 4.165 3.960 0.014 0.000 0.239 373 G HA3 0.196 4.165 3.960 0.014 0.000 0.239 373 G C 0.231 175.142 174.900 0.019 0.000 0.982 373 G CA 0.410 45.496 45.100 -0.022 0.000 0.650 373 G HN 1.583 nan 8.290 nan 0.000 0.527 374 A N -0.510 122.345 122.820 0.058 0.000 2.299 374 A HA 0.889 5.218 4.320 0.014 0.000 0.332 374 A C 0.423 178.154 177.584 0.244 0.000 1.131 374 A CA 0.538 52.661 52.037 0.143 0.000 0.844 374 A CB 1.562 20.655 19.000 0.155 0.000 1.251 374 A HN 1.371 nan 8.150 nan 0.000 0.486 375 S N -0.244 115.572 115.700 0.193 0.000 2.429 375 S HA 0.576 5.054 4.470 0.014 0.000 0.302 375 S C -0.711 173.940 174.600 0.084 0.000 1.115 375 S CA -0.514 57.756 58.200 0.118 0.000 1.095 375 S CB -0.115 63.118 63.200 0.054 0.000 0.987 375 S HN 1.268 nan 8.310 nan 0.000 0.474 376 L N 4.171 125.354 121.223 -0.067 0.000 2.370 376 L HA 0.804 5.152 4.340 0.014 0.000 0.266 376 L C -0.833 175.897 176.870 -0.234 0.000 1.002 376 L CA -0.563 54.110 54.840 -0.278 0.000 0.818 376 L CB 1.784 43.302 42.059 -0.900 0.000 1.325 376 L HN 0.561 nan 8.230 nan 0.000 0.418 377 R N 3.737 124.124 120.500 -0.187 0.000 2.534 377 R HA 0.631 4.979 4.340 0.014 0.000 0.301 377 R C -1.370 174.815 176.300 -0.192 0.000 0.961 377 R CA -0.984 55.004 56.100 -0.187 0.000 0.871 377 R CB 1.751 31.974 30.300 -0.128 0.000 1.170 377 R HN 0.492 nan 8.270 nan 0.000 0.446 378 L N 3.849 124.890 121.223 -0.302 0.000 2.350 378 L HA 0.373 4.722 4.340 0.014 0.000 0.275 378 L C 0.625 177.406 176.870 -0.148 0.000 1.099 378 L CA 0.249 54.932 54.840 -0.261 0.000 0.808 378 L CB 0.572 42.253 42.059 -0.629 0.000 1.149 378 L HN 0.572 nan 8.230 nan 0.000 0.442 379 H N 1.071 120.246 119.070 0.175 0.000 2.812 379 H HA 0.614 5.178 4.556 0.014 0.000 0.355 379 H C -0.751 174.705 175.328 0.213 0.000 1.207 379 H CA -0.545 55.590 56.048 0.145 0.000 1.217 379 H CB 2.535 32.336 29.762 0.063 0.000 1.874 379 H HN 0.433 nan 8.280 nan 0.000 0.581 380 T N 1.734 116.379 114.554 0.151 0.000 2.916 380 T HA 0.309 4.667 4.350 0.014 0.000 0.298 380 T C -0.227 174.328 174.700 -0.240 0.000 1.031 380 T CA -0.730 61.306 62.100 -0.107 0.000 0.993 380 T CB 1.405 70.129 68.868 -0.239 0.000 1.045 380 T HN 0.221 nan 8.240 nan 0.000 0.454 381 L N 3.760 124.831 121.223 -0.253 0.000 2.259 381 L HA 0.333 4.681 4.340 0.014 0.000 0.288 381 L C 0.357 177.108 176.870 -0.199 0.000 1.051 381 L CA -0.685 54.043 54.840 -0.188 0.000 0.824 381 L CB 0.326 42.317 42.059 -0.113 0.000 1.206 381 L HN 0.683 nan 8.230 nan 0.000 0.429 382 H N 3.779 122.864 119.070 0.025 0.000 2.768 382 H HA 0.482 5.046 4.556 0.014 0.000 0.228 382 H C 0.063 175.436 175.328 0.076 0.000 1.812 382 H CA 0.002 56.077 56.048 0.044 0.000 1.273 382 H CB 0.184 29.966 29.762 0.033 0.000 1.631 382 H HN 0.677 nan 8.280 nan 0.000 0.526 383 A N 0.560 123.498 122.820 0.197 0.000 2.552 383 A HA 0.566 4.895 4.320 0.014 0.000 0.288 383 A C -1.268 176.567 177.584 0.419 0.000 1.193 383 A CA -0.638 51.576 52.037 0.296 0.000 0.713 383 A CB 2.689 21.837 19.000 0.246 0.000 1.305 383 A HN 0.499 nan 8.150 nan 0.000 0.424 384 H N -0.785 118.499 119.070 0.358 0.000 3.038 384 H HA 0.343 4.907 4.556 0.014 0.000 0.362 384 H C -2.505 172.582 175.328 -0.402 0.000 1.167 384 H CA -1.280 54.769 56.048 0.003 0.000 1.197 384 H CB 2.590 32.340 29.762 -0.020 0.000 1.840 384 H HN 0.244 nan 8.280 nan 0.000 0.540 385 P HA -0.186 nan 4.420 nan 0.000 0.217 385 P C 1.342 178.522 177.300 -0.201 0.000 1.148 385 P CA 2.160 64.721 63.100 -0.897 0.000 0.834 385 P CB 0.149 31.436 31.700 -0.689 0.000 0.783 386 S N -1.360 114.428 115.700 0.147 0.000 2.515 386 S HA -0.142 4.337 4.470 0.014 0.000 0.231 386 S C 1.816 176.438 174.600 0.035 0.000 0.987 386 S CA 0.632 58.868 58.200 0.059 0.000 0.936 386 S CB -0.983 62.203 63.200 -0.024 0.000 0.766 386 S HN 0.256 nan 8.310 nan 0.000 0.528 387 Q N 0.975 120.821 119.800 0.077 0.000 2.230 387 Q HA 0.280 4.628 4.340 0.014 0.000 0.202 387 Q C 1.518 177.574 176.000 0.093 0.000 0.963 387 Q CA 0.501 56.365 55.803 0.101 0.000 0.866 387 Q CB -0.349 28.497 28.738 0.181 0.000 0.931 387 Q HN 0.770 nan 8.270 nan 0.000 0.452 388 G N 0.292 109.146 108.800 0.090 0.000 2.513 388 G HA2 -0.314 3.654 3.960 0.014 0.000 0.227 388 G HA3 -0.314 3.654 3.960 0.014 0.000 0.227 388 G C 0.290 175.268 174.900 0.131 0.000 1.176 388 G CA -0.132 45.018 45.100 0.082 0.000 0.967 388 G HN 0.188 nan 8.290 nan 0.000 0.587 389 L N 1.420 122.701 121.223 0.097 0.000 2.275 389 L HA 0.120 4.468 4.340 0.014 0.000 0.215 389 L C 3.371 180.300 176.870 0.098 0.000 1.119 389 L CA 1.778 56.675 54.840 0.094 0.000 0.790 389 L CB -0.590 41.504 42.059 0.059 0.000 0.919 389 L HN 0.819 nan 8.230 nan 0.000 0.443 390 A N -0.216 122.666 122.820 0.103 0.000 2.019 390 A HA -0.260 4.068 4.320 0.014 0.000 0.219 390 A C 2.111 179.763 177.584 0.112 0.000 1.164 390 A CA 1.327 53.418 52.037 0.089 0.000 0.644 390 A CB -0.681 18.370 19.000 0.086 0.000 0.805 390 A HN 0.466 nan 8.150 nan 0.000 0.449 391 F N 0.273 120.235 119.950 0.020 0.000 2.206 391 F HA -0.013 4.522 4.527 0.014 0.000 0.298 391 F C 2.139 177.940 175.800 0.001 0.000 1.090 391 F CA 1.526 59.535 58.000 0.015 0.000 1.323 391 F CB -0.107 38.903 39.000 0.016 0.000 1.028 391 F HN 0.184 nan 8.300 nan 0.000 0.492 392 R N 0.101 120.611 120.500 0.017 0.000 2.280 392 R HA -0.130 4.218 4.340 0.014 0.000 0.207 392 R C 2.000 178.224 176.300 -0.126 0.000 1.043 392 R CA 1.062 57.109 56.100 -0.089 0.000 1.006 392 R CB -0.200 30.123 30.300 0.039 0.000 0.885 392 R HN 0.295 nan 8.270 nan 0.000 0.467 393 E N 0.487 120.634 120.200 -0.089 0.000 2.072 393 E HA -0.073 4.285 4.350 0.014 0.000 0.190 393 E C 1.642 178.171 176.600 -0.118 0.000 0.982 393 E CA 1.515 57.872 56.400 -0.072 0.000 0.803 393 E CB -0.139 29.545 29.700 -0.027 0.000 0.755 393 E HN 0.365 nan 8.360 nan 0.000 0.453 394 A N 0.840 123.549 122.820 -0.185 0.000 1.865 394 A HA -0.190 4.138 4.320 0.014 0.000 0.217 394 A C 2.329 179.771 177.584 -0.237 0.000 1.191 394 A CA 1.788 53.699 52.037 -0.210 0.000 0.623 394 A CB -0.981 17.842 19.000 -0.294 0.000 0.826 394 A HN 0.350 nan 8.150 nan 0.000 0.444 395 L N -1.269 119.750 121.223 -0.341 0.000 2.042 395 L HA -0.211 4.138 4.340 0.014 0.000 0.210 395 L C 2.825 179.598 176.870 -0.161 0.000 1.076 395 L CA 1.748 56.428 54.840 -0.267 0.000 0.749 395 L CB -0.589 41.299 42.059 -0.285 0.000 0.893 395 L HN 0.429 nan 8.230 nan 0.000 0.432 396 R N 0.860 121.282 120.500 -0.130 0.000 2.096 396 R HA -0.207 4.141 4.340 0.014 0.000 0.240 396 R C 2.274 178.527 176.300 -0.078 0.000 1.139 396 R CA 1.806 57.855 56.100 -0.085 0.000 0.952 396 R CB -0.061 30.202 30.300 -0.062 0.000 0.854 396 R HN 0.344 nan 8.270 nan 0.000 0.436 397 K N -0.546 119.806 120.400 -0.080 0.000 2.217 397 K HA -0.012 4.316 4.320 0.014 0.000 0.202 397 K C 2.011 178.561 176.600 -0.083 0.000 1.051 397 K CA 0.949 57.198 56.287 -0.063 0.000 0.952 397 K CB -0.004 32.470 32.500 -0.044 0.000 0.736 397 K HN 0.184 nan 8.250 nan 0.000 0.453 398 A N 1.820 124.570 122.820 -0.116 0.000 1.877 398 A HA -0.214 4.114 4.320 0.014 0.000 0.216 398 A C 2.072 179.551 177.584 -0.174 0.000 1.186 398 A CA 1.760 53.699 52.037 -0.163 0.000 0.620 398 A CB -0.310 18.588 19.000 -0.170 0.000 0.822 398 A HN 0.067 nan 8.150 nan 0.000 0.443 399 K N 0.193 120.517 120.400 -0.126 0.000 2.148 399 K HA -0.073 4.255 4.320 0.014 0.000 0.204 399 K C 1.813 178.365 176.600 -0.080 0.000 1.050 399 K CA 1.779 58.007 56.287 -0.099 0.000 0.942 399 K CB -0.299 32.157 32.500 -0.073 0.000 0.724 399 K HN 0.595 nan 8.250 nan 0.000 0.446 400 E N 0.091 120.249 120.200 -0.069 0.000 2.347 400 E HA -0.114 4.244 4.350 0.014 0.000 0.196 400 E C 0.932 177.507 176.600 -0.042 0.000 1.008 400 E CA 0.668 57.040 56.400 -0.047 0.000 0.852 400 E CB 0.173 29.851 29.700 -0.037 0.000 0.783 400 E HN 0.385 nan 8.360 nan 0.000 0.505 401 E N -1.441 118.720 120.200 -0.065 0.000 2.478 401 E HA 0.041 4.399 4.350 0.014 0.000 0.194 401 E C 0.916 177.484 176.600 -0.053 0.000 1.045 401 E CA 0.414 56.788 56.400 -0.043 0.000 0.868 401 E CB 0.790 30.469 29.700 -0.034 0.000 0.885 401 E HN 0.402 nan 8.360 nan 0.000 0.505 402 G N 0.753 109.500 108.800 -0.088 0.000 2.255 402 G HA2 -0.225 3.744 3.960 0.014 0.000 0.196 402 G HA3 -0.225 3.744 3.960 0.014 0.000 0.196 402 G C 0.426 175.267 174.900 -0.097 0.000 0.998 402 G CA -0.070 44.993 45.100 -0.062 0.000 0.656 402 G HN 0.110 nan 8.290 nan 0.000 0.490 403 V N 1.456 121.243 119.914 -0.211 0.000 2.814 403 V HA 0.144 4.272 4.120 0.014 0.000 0.307 403 V C 1.420 177.461 176.094 -0.087 0.000 1.089 403 V CA 1.646 63.827 62.300 -0.198 0.000 1.212 403 V CB 1.364 33.015 31.823 -0.287 0.000 0.912 403 V HN 0.565 nan 8.190 nan 0.000 0.497 404 Q N 2.493 122.269 119.800 -0.040 0.000 2.477 404 Q HA 0.507 4.855 4.340 0.014 0.000 0.252 404 Q C 0.306 176.308 176.000 0.003 0.000 0.869 404 Q CA 0.676 56.474 55.803 -0.009 0.000 0.969 404 Q CB 1.222 29.967 28.738 0.012 0.000 1.144 404 Q HN 0.870 nan 8.270 nan 0.000 0.577 405 A N 0.739 123.566 122.820 0.011 0.000 2.594 405 A HA 0.629 4.957 4.320 0.014 0.000 0.295 405 A C -1.613 175.990 177.584 0.032 0.000 1.071 405 A CA -0.600 51.450 52.037 0.022 0.000 0.685 405 A CB 2.003 21.024 19.000 0.035 0.000 1.285 405 A HN 0.049 nan 8.150 nan 0.000 0.405 406 V N 1.612 121.538 119.914 0.019 0.000 2.604 406 V HA 0.804 4.932 4.120 0.014 0.000 0.305 406 V C -1.186 174.910 176.094 0.002 0.000 1.043 406 V CA -0.773 61.534 62.300 0.012 0.000 0.888 406 V CB 1.391 33.199 31.823 -0.025 0.000 0.995 406 V HN 1.271 nan 8.190 nan 0.000 0.429 407 L N 6.851 128.063 121.223 -0.019 0.000 2.265 407 L HA 0.616 4.964 4.340 0.014 0.000 0.288 407 L C -0.394 176.393 176.870 -0.137 0.000 1.058 407 L CA 0.288 55.092 54.840 -0.059 0.000 0.809 407 L CB 1.446 43.468 42.059 -0.061 0.000 1.179 407 L HN 0.616 nan 8.230 nan 0.000 0.429 408 V N 7.291 127.150 119.914 -0.092 0.000 2.333 408 V HA 0.330 4.459 4.120 0.014 0.000 0.274 408 V C 0.097 176.131 176.094 -0.101 0.000 1.028 408 V CA -0.433 61.805 62.300 -0.102 0.000 0.851 408 V CB 1.195 32.973 31.823 -0.074 0.000 1.000 408 V HN 0.585 nan 8.190 nan 0.000 0.456 409 L N 5.185 126.331 121.223 -0.130 0.000 2.262 409 L HA 0.682 5.031 4.340 0.014 0.000 0.288 409 L C 0.096 176.920 176.870 -0.077 0.000 1.035 409 L CA 0.323 55.102 54.840 -0.102 0.000 0.820 409 L CB 1.597 43.574 42.059 -0.136 0.000 1.204 409 L HN 0.735 nan 8.230 nan 0.000 0.424 410 T N 4.056 118.577 114.554 -0.054 0.000 2.957 410 T HA 0.418 4.777 4.350 0.014 0.000 0.336 410 T C -2.784 171.896 174.700 -0.032 0.000 1.462 410 T CA -1.234 60.838 62.100 -0.046 0.000 1.073 410 T CB 1.988 70.818 68.868 -0.063 0.000 1.319 410 T HN 0.074 nan 8.240 nan 0.000 0.485 411 P HA 0.206 nan 4.420 nan 0.000 0.269 411 P C -2.628 174.653 177.300 -0.032 0.000 1.211 411 P CA -0.783 62.306 63.100 -0.018 0.000 0.781 411 P CB -0.441 31.252 31.700 -0.011 0.000 0.877 412 P HA 0.006 nan 4.420 nan 0.000 0.258 412 P C -0.138 177.125 177.300 -0.061 0.000 1.172 412 P CA 1.131 64.201 63.100 -0.051 0.000 0.762 412 P CB -0.061 31.616 31.700 -0.039 0.000 0.764 413 M N 2.300 121.846 119.600 -0.090 0.000 2.267 413 M HA 0.518 5.006 4.480 0.014 0.000 0.303 413 M C 0.643 176.881 176.300 -0.104 0.000 1.164 413 M CA -0.683 54.564 55.300 -0.089 0.000 1.060 413 M CB 0.946 33.484 32.600 -0.102 0.000 1.455 413 M HN 0.223 nan 8.290 nan 0.000 0.483 414 A N -0.153 122.632 122.820 -0.059 0.000 2.303 414 A HA 0.270 4.599 4.320 0.014 0.000 0.317 414 A C 0.069 177.660 177.584 0.011 0.000 1.149 414 A CA -0.567 51.461 52.037 -0.015 0.000 0.822 414 A CB 0.106 19.129 19.000 0.039 0.000 1.131 414 A HN 1.054 nan 8.150 nan 0.000 0.493 415 W N 0.443 121.743 121.300 0.001 0.000 2.290 415 W HA -0.294 4.362 4.660 -0.006 0.000 0.328 415 W C 2.670 179.187 176.519 -0.004 0.000 1.272 415 W CA 3.231 60.576 57.345 -0.000 0.000 1.262 415 W CB -0.317 29.145 29.460 0.004 0.000 1.151 415 W HN 0.938 nan 8.180 nan 0.000 0.473 416 E N 0.227 120.586 120.200 0.266 0.000 2.058 416 E HA -0.254 4.104 4.350 0.014 0.000 0.194 416 E C 1.357 178.012 176.600 0.092 0.000 0.997 416 E CA 2.004 58.496 56.400 0.153 0.000 0.801 416 E CB -1.120 28.642 29.700 0.104 0.000 0.746 416 E HN 0.400 nan 8.360 nan 0.000 0.450 417 D N -0.334 120.101 120.400 0.058 0.000 2.117 417 D HA -0.136 4.512 4.640 0.014 0.000 0.198 417 D C 2.076 178.369 176.300 -0.012 0.000 0.982 417 D CA 1.075 55.081 54.000 0.010 0.000 0.828 417 D CB -0.336 40.459 40.800 -0.008 0.000 0.967 417 D HN 0.255 nan 8.370 nan 0.000 0.464 418 R N 1.341 121.831 120.500 -0.017 0.000 2.103 418 R HA -0.150 4.198 4.340 0.014 0.000 0.234 418 R C 1.619 177.910 176.300 -0.015 0.000 1.132 418 R CA 1.390 57.459 56.100 -0.052 0.000 0.925 418 R CB -0.649 29.572 30.300 -0.131 0.000 0.842 418 R HN 0.090 nan 8.270 nan 0.000 0.430 419 N N 0.827 119.560 118.700 0.056 0.000 2.258 419 N HA -0.154 4.594 4.740 0.014 0.000 0.187 419 N C 1.895 177.394 175.510 -0.019 0.000 1.012 419 N CA 1.060 54.142 53.050 0.054 0.000 0.870 419 N CB -0.342 38.224 38.487 0.131 0.000 0.977 419 N HN 0.311 nan 8.380 nan 0.000 0.434 420 R N -0.001 120.493 120.500 -0.010 0.000 2.062 420 R HA -0.036 4.312 4.340 0.014 0.000 0.231 420 R C 1.984 178.248 176.300 -0.060 0.000 1.136 420 R CA 0.692 56.774 56.100 -0.030 0.000 0.948 420 R CB -0.632 29.661 30.300 -0.012 0.000 0.845 420 R HN 0.128 nan 8.270 nan 0.000 0.430 421 L N 1.826 123.013 121.223 -0.060 0.000 1.989 421 L HA -0.216 4.132 4.340 0.014 0.000 0.211 421 L C 2.087 178.922 176.870 -0.058 0.000 1.071 421 L CA 1.901 56.704 54.840 -0.062 0.000 0.749 421 L CB -0.474 41.537 42.059 -0.080 0.000 0.890 421 L HN -0.029 nan 8.230 nan 0.000 0.431 422 K N -0.160 120.198 120.400 -0.070 0.000 2.015 422 K HA -0.194 4.134 4.320 0.014 0.000 0.216 422 K C 2.070 178.575 176.600 -0.158 0.000 1.052 422 K CA 1.888 58.125 56.287 -0.083 0.000 0.937 422 K CB -1.228 31.237 32.500 -0.060 0.000 0.719 422 K HN 0.468 nan 8.250 nan 0.000 0.446 423 A N 1.047 123.707 122.820 -0.266 0.000 2.019 423 A HA -0.135 4.193 4.320 0.014 0.000 0.219 423 A C 2.179 179.550 177.584 -0.356 0.000 1.164 423 A CA 1.229 52.902 52.037 -0.607 0.000 0.644 423 A CB -0.404 18.008 19.000 -0.979 0.000 0.805 423 A HN 0.254 nan 8.150 nan 0.000 0.449 424 L N -0.340 120.801 121.223 -0.137 0.000 2.044 424 L HA -0.002 4.346 4.340 0.014 0.000 0.205 424 L C 2.222 179.094 176.870 0.004 0.000 1.075 424 L CA 1.572 56.409 54.840 -0.006 0.000 0.747 424 L CB -0.514 41.575 42.059 0.050 0.000 0.903 424 L HN 0.375 nan 8.230 nan 0.000 0.435 425 L N -1.083 120.134 121.223 -0.010 0.000 2.083 425 L HA -0.224 4.124 4.340 0.014 0.000 0.209 425 L C 2.450 179.293 176.870 -0.045 0.000 1.083 425 L CA 0.732 55.563 54.840 -0.016 0.000 0.752 425 L CB -0.736 41.316 42.059 -0.012 0.000 0.899 425 L HN 0.299 nan 8.230 nan 0.000 0.433 426 L N -0.400 120.771 121.223 -0.086 0.000 2.131 426 L HA -0.144 4.204 4.340 0.014 0.000 0.210 426 L C 2.617 179.459 176.870 -0.046 0.000 1.092 426 L CA 1.524 56.294 54.840 -0.117 0.000 0.759 426 L CB -0.824 41.102 42.059 -0.222 0.000 0.903 426 L HN 0.119 nan 8.230 nan 0.000 0.435 427 R N -0.653 119.850 120.500 0.006 0.000 2.148 427 R HA -0.088 4.260 4.340 0.014 0.000 0.227 427 R C 1.453 177.760 176.300 0.013 0.000 1.103 427 R CA 0.683 56.810 56.100 0.046 0.000 0.983 427 R CB 0.059 30.416 30.300 0.095 0.000 0.874 427 R HN 0.295 nan 8.270 nan 0.000 0.451 428 E N -0.890 119.306 120.200 -0.006 0.000 2.479 428 E HA 0.072 4.431 4.350 0.014 0.000 0.193 428 E C 0.653 177.238 176.600 -0.025 0.000 1.049 428 E CA 0.495 56.882 56.400 -0.021 0.000 0.870 428 E CB 1.055 30.730 29.700 -0.041 0.000 0.944 428 E HN 0.466 nan 8.360 nan 0.000 0.492 429 G N 1.437 110.224 108.800 -0.022 0.000 2.142 429 G HA2 -0.250 3.718 3.960 0.014 0.000 0.225 429 G HA3 -0.250 3.718 3.960 0.014 0.000 0.225 429 G C 0.042 174.935 174.900 -0.012 0.000 1.015 429 G CA 0.033 45.126 45.100 -0.012 0.000 0.716 429 G HN 0.199 nan 8.290 nan 0.000 0.508 430 L N 0.656 121.864 121.223 -0.026 0.000 2.384 430 L HA 0.348 4.696 4.340 0.014 0.000 0.261 430 L C -2.158 174.706 176.870 -0.012 0.000 1.024 430 L CA -2.145 52.684 54.840 -0.019 0.000 0.899 430 L CB 1.868 43.906 42.059 -0.035 0.000 1.243 430 L HN -0.121 nan 8.230 nan 0.000 0.449 431 P HA 0.047 nan 4.420 nan 0.000 0.267 431 P C -0.674 176.640 177.300 0.023 0.000 1.201 431 P CA 0.034 63.160 63.100 0.043 0.000 0.775 431 P CB 0.763 32.516 31.700 0.088 0.000 0.854 432 S N 0.090 115.803 115.700 0.023 0.000 2.575 432 S HA 0.540 5.019 4.470 0.014 0.000 0.278 432 S C -1.121 173.484 174.600 0.009 0.000 1.139 432 S CA -0.836 57.369 58.200 0.009 0.000 0.954 432 S CB 1.629 64.825 63.200 -0.007 0.000 1.054 432 S HN 0.324 nan 8.310 nan 0.000 0.483 433 Q N 2.040 121.846 119.800 0.010 0.000 2.256 433 Q HA 0.679 5.027 4.340 0.014 0.000 0.257 433 Q C -1.284 174.717 176.000 0.001 0.000 0.936 433 Q CA -0.515 55.296 55.803 0.014 0.000 0.903 433 Q CB 1.023 29.782 28.738 0.034 0.000 1.263 433 Q HN 0.811 nan 8.270 nan 0.000 0.440 434 I N 3.751 124.319 120.570 -0.003 0.000 2.460 434 I HA 0.399 4.578 4.170 0.014 0.000 0.298 434 I C -1.039 175.081 176.117 0.004 0.000 0.989 434 I CA -1.160 60.129 61.300 -0.018 0.000 1.173 434 I CB 1.530 39.504 38.000 -0.044 0.000 1.338 434 I HN 0.498 nan 8.210 nan 0.000 0.456 435 L N 6.476 127.699 121.223 0.001 0.000 2.438 435 L HA 0.476 4.825 4.340 0.014 0.000 0.270 435 L C -0.767 176.113 176.870 0.016 0.000 0.972 435 L CA -0.547 54.313 54.840 0.033 0.000 0.831 435 L CB 1.477 43.573 42.059 0.061 0.000 1.273 435 L HN 0.422 nan 8.230 nan 0.000 0.405 436 N N 3.331 122.047 118.700 0.027 0.000 2.497 436 N HA 0.132 4.880 4.740 0.014 0.000 0.268 436 N C 1.234 176.761 175.510 0.028 0.000 1.171 436 N CA -0.143 52.916 53.050 0.014 0.000 0.948 436 N CB 1.856 40.349 38.487 0.011 0.000 1.069 436 N HN 0.506 nan 8.380 nan 0.000 0.460 437 V N 3.657 123.578 119.914 0.011 0.000 2.332 437 V HA -0.157 3.972 4.120 0.014 0.000 0.248 437 V C -1.193 174.921 176.094 0.033 0.000 1.055 437 V CA 1.423 63.732 62.300 0.014 0.000 1.038 437 V CB -1.094 30.729 31.823 -0.000 0.000 0.651 437 V HN 0.688 nan 8.190 nan 0.000 0.450 438 P HA 0.170 nan 4.420 nan 0.000 0.238 438 P C -0.464 176.871 177.300 0.059 0.000 1.649 438 P CA 0.739 63.861 63.100 0.037 0.000 0.960 438 P CB -0.684 31.033 31.700 0.028 0.000 1.911 439 L N -0.073 121.199 121.223 0.082 0.000 2.322 439 L HA 0.924 5.273 4.340 0.014 0.000 0.279 439 L C 0.621 177.540 176.870 0.082 0.000 1.036 439 L CA -0.983 53.935 54.840 0.129 0.000 0.807 439 L CB 0.530 42.709 42.059 0.200 0.000 1.226 439 L HN 0.208 nan 8.230 nan 0.000 0.433 440 R N 0.640 121.157 120.500 0.027 0.000 2.771 440 R HA 0.581 4.929 4.340 0.014 0.000 0.274 440 R C 0.617 176.714 176.300 -0.338 0.000 0.987 440 R CA 0.135 56.141 56.100 -0.155 0.000 0.908 440 R CB 0.203 30.453 30.300 -0.083 0.000 1.213 440 R HN 0.934 nan 8.270 nan 0.000 0.468 441 E N 1.052 120.799 120.200 -0.756 0.000 2.171 441 E HA -0.218 4.140 4.350 0.014 0.000 0.197 441 E C 1.123 177.718 176.600 -0.008 0.000 0.997 441 E CA 1.739 57.668 56.400 -0.786 0.000 0.810 441 E CB 0.399 29.680 29.700 -0.698 0.000 0.738 441 E HN 0.773 nan 8.360 nan 0.000 0.467 442 E N 0.843 121.025 120.200 -0.030 0.000 2.511 442 E HA -0.108 4.250 4.350 0.014 0.000 0.196 442 E C 0.114 176.750 176.600 0.061 0.000 1.066 442 E CA 0.488 56.903 56.400 0.025 0.000 0.871 442 E CB -0.108 29.583 29.700 -0.015 0.000 0.863 442 E HN 0.272 nan 8.360 nan 0.000 0.520 443 E N 0.514 120.819 120.200 0.176 0.000 2.364 443 E HA 0.170 4.529 4.350 0.014 0.000 0.270 443 E C 1.496 178.127 176.600 0.053 0.000 1.398 443 E CA -0.032 56.463 56.400 0.159 0.000 1.721 443 E CB 0.290 30.122 29.700 0.221 0.000 1.525 443 E HN 0.332 nan 8.360 nan 0.000 0.446 444 R N 0.113 120.476 120.500 -0.227 0.000 2.081 444 R HA -0.187 4.162 4.340 0.014 0.000 0.235 444 R C 1.516 177.280 176.300 -0.892 0.000 1.131 444 R CA 2.038 57.633 56.100 -0.842 0.000 0.960 444 R CB -1.354 28.599 30.300 -0.577 0.000 0.856 444 R HN 0.451 nan 8.270 nan 0.000 0.436 445 H N -0.067 118.711 119.070 -0.487 0.000 2.265 445 H HA -0.101 4.465 4.556 0.017 0.000 0.293 445 H C 2.525 177.743 175.328 -0.183 0.000 1.089 445 H CA 1.802 57.573 56.048 -0.461 0.000 1.244 445 H CB 0.038 29.498 29.762 -0.503 0.000 1.355 445 H HN 0.271 nan 8.280 nan 0.000 0.485 446 R N 0.742 121.251 120.500 0.015 0.000 2.196 446 R HA -0.199 4.149 4.340 0.014 0.000 0.227 446 R C 2.413 178.798 176.300 0.142 0.000 1.108 446 R CA 2.114 58.276 56.100 0.104 0.000 0.884 446 R CB -1.058 29.347 30.300 0.174 0.000 0.839 446 R HN 0.668 nan 8.270 nan 0.000 0.431 447 W N 1.017 122.421 121.300 0.173 0.000 2.525 447 W HA -0.039 4.629 4.660 0.013 0.000 0.259 447 W C 1.259 177.896 176.519 0.197 0.000 1.253 447 W CA 0.344 57.804 57.345 0.191 0.000 1.262 447 W CB -0.628 28.992 29.460 0.267 0.000 1.122 447 W HN 0.308 nan 8.180 nan 0.000 0.607 448 E N 1.199 121.252 120.200 -0.245 0.000 2.046 448 E HA -0.194 4.164 4.350 0.014 0.000 0.190 448 E C 2.109 178.766 176.600 0.094 0.000 0.982 448 E CA 1.296 57.621 56.400 -0.124 0.000 0.800 448 E CB -0.163 29.428 29.700 -0.181 0.000 0.756 448 E HN -0.003 nan 8.360 nan 0.000 0.449 449 N N 0.525 119.317 118.700 0.152 0.000 2.043 449 N HA -0.198 4.551 4.740 0.014 0.000 0.193 449 N C 1.723 177.306 175.510 0.121 0.000 1.037 449 N CA 1.497 54.631 53.050 0.141 0.000 0.851 449 N CB -0.562 38.030 38.487 0.176 0.000 1.027 449 N HN 0.210 nan 8.380 nan 0.000 0.422 450 A N 0.795 123.708 122.820 0.155 0.000 1.997 450 A HA -0.153 4.175 4.320 0.014 0.000 0.221 450 A C 2.144 179.819 177.584 0.152 0.000 1.172 450 A CA 1.188 53.316 52.037 0.151 0.000 0.645 450 A CB -0.555 18.558 19.000 0.189 0.000 0.813 450 A HN 0.169 nan 8.150 nan 0.000 0.454 451 L N -0.641 120.697 121.223 0.193 0.000 2.027 451 L HA -0.087 4.261 4.340 0.014 0.000 0.206 451 L C 2.535 179.481 176.870 0.127 0.000 1.074 451 L CA 1.383 56.342 54.840 0.198 0.000 0.745 451 L CB -1.024 41.196 42.059 0.267 0.000 0.898 451 L HN 0.381 nan 8.230 nan 0.000 0.433 452 L N -0.998 120.276 121.223 0.086 0.000 1.989 452 L HA -0.194 4.154 4.340 0.014 0.000 0.211 452 L C 2.565 179.412 176.870 -0.039 0.000 1.071 452 L CA 1.580 56.424 54.840 0.007 0.000 0.749 452 L CB -1.415 40.628 42.059 -0.027 0.000 0.890 452 L HN 0.416 nan 8.230 nan 0.000 0.431 453 G N -0.040 108.752 108.800 -0.013 0.000 2.476 453 G HA2 -0.280 3.688 3.960 0.014 0.000 0.218 453 G HA3 -0.280 3.688 3.960 0.014 0.000 0.218 453 G C 1.642 176.530 174.900 -0.021 0.000 1.164 453 G CA 0.794 45.876 45.100 -0.030 0.000 0.768 453 G HN 0.241 nan 8.290 nan 0.000 0.560 454 L N -0.158 121.083 121.223 0.030 0.000 1.989 454 L HA -0.079 4.269 4.340 0.014 0.000 0.211 454 L C 3.013 179.893 176.870 0.017 0.000 1.071 454 L CA 1.343 56.211 54.840 0.046 0.000 0.749 454 L CB -0.292 41.831 42.059 0.106 0.000 0.890 454 L HN 0.254 nan 8.230 nan 0.000 0.431 455 L N -0.639 120.586 121.223 0.004 0.000 2.046 455 L HA -0.221 4.127 4.340 0.014 0.000 0.208 455 L C 2.833 179.631 176.870 -0.119 0.000 1.077 455 L CA 1.246 56.051 54.840 -0.059 0.000 0.747 455 L CB -0.757 41.203 42.059 -0.165 0.000 0.896 455 L HN 0.323 nan 8.230 nan 0.000 0.432 456 A N 0.357 123.093 122.820 -0.140 0.000 1.873 456 A HA -0.256 4.073 4.320 0.014 0.000 0.218 456 A C 2.260 179.771 177.584 -0.121 0.000 1.193 456 A CA 1.973 53.915 52.037 -0.159 0.000 0.629 456 A CB -0.455 18.423 19.000 -0.204 0.000 0.826 456 A HN 0.369 nan 8.150 nan 0.000 0.447 457 K N -0.294 120.047 120.400 -0.098 0.000 2.442 457 K HA 0.085 4.414 4.320 0.014 0.000 0.198 457 K C 1.715 178.314 176.600 -0.002 0.000 1.042 457 K CA 0.706 56.960 56.287 -0.055 0.000 0.958 457 K CB -0.196 32.283 32.500 -0.034 0.000 0.766 457 K HN 0.455 nan 8.250 nan 0.000 0.474 458 A N 0.620 123.434 122.820 -0.010 0.000 2.218 458 A HA 0.207 4.535 4.320 0.014 0.000 0.209 458 A C 1.295 178.884 177.584 0.008 0.000 1.168 458 A CA 0.676 52.721 52.037 0.014 0.000 0.804 458 A CB -0.135 18.884 19.000 0.032 0.000 0.834 458 A HN 0.358 nan 8.150 nan 0.000 0.482 459 G N -1.552 107.239 108.800 -0.014 0.000 2.140 459 G HA2 -0.123 3.846 3.960 0.014 0.000 0.211 459 G HA3 -0.123 3.846 3.960 0.014 0.000 0.211 459 G C -0.357 174.521 174.900 -0.037 0.000 1.013 459 G CA 0.100 45.192 45.100 -0.013 0.000 0.705 459 G HN 0.328 nan 8.290 nan 0.000 0.508 460 L N 0.423 121.593 121.223 -0.088 0.000 2.309 460 L HA 0.516 4.865 4.340 0.014 0.000 0.282 460 L C 0.717 177.501 176.870 -0.144 0.000 1.036 460 L CA -0.491 54.260 54.840 -0.148 0.000 0.806 460 L CB 1.636 43.505 42.059 -0.318 0.000 1.220 460 L HN 0.311 nan 8.230 nan 0.000 0.429 461 Q N 2.413 122.174 119.800 -0.065 0.000 2.361 461 Q HA 0.181 4.529 4.340 0.014 0.000 0.250 461 Q C 0.729 176.715 176.000 -0.023 0.000 1.023 461 Q CA -0.357 55.444 55.803 -0.004 0.000 0.915 461 Q CB 1.274 30.096 28.738 0.140 0.000 1.238 461 Q HN 0.519 nan 8.270 nan 0.000 0.451 462 V N 2.431 122.288 119.914 -0.094 0.000 2.323 462 V HA -0.097 4.031 4.120 0.014 0.000 0.244 462 V C 0.945 177.110 176.094 0.119 0.000 1.041 462 V CA 1.247 63.533 62.300 -0.024 0.000 1.025 462 V CB -0.150 31.630 31.823 -0.072 0.000 0.656 462 V HN 0.680 nan 8.190 nan 0.000 0.451 463 V N -3.791 116.132 119.914 0.015 0.000 3.181 463 V HA 1.023 5.151 4.120 0.014 0.000 0.308 463 V C -0.732 175.215 176.094 -0.246 0.000 1.214 463 V CA -0.390 61.891 62.300 -0.031 0.000 1.053 463 V CB 1.668 33.478 31.823 -0.021 0.000 1.069 463 V HN 0.346 nan 8.190 nan 0.000 0.441 464 A N 1.315 123.880 122.820 -0.425 0.000 2.583 464 A HA 0.904 5.232 4.320 0.014 0.000 0.289 464 A C -1.446 175.933 177.584 -0.341 0.000 1.151 464 A CA -0.882 50.786 52.037 -0.614 0.000 0.695 464 A CB 1.730 19.814 19.000 -1.527 0.000 1.290 464 A HN 1.073 nan 8.150 nan 0.000 0.419 465 L N 1.395 122.466 121.223 -0.254 0.000 2.272 465 L HA 0.628 4.976 4.340 0.014 0.000 0.289 465 L C 0.673 177.549 176.870 0.011 0.000 1.032 465 L CA -0.158 54.639 54.840 -0.072 0.000 0.810 465 L CB 1.490 43.525 42.059 -0.040 0.000 1.205 465 L HN 0.933 nan 8.230 nan 0.000 0.422 466 S N 2.398 118.127 115.700 0.048 0.000 2.429 466 S HA 0.844 5.323 4.470 0.014 0.000 0.302 466 S C 0.267 174.899 174.600 0.052 0.000 1.115 466 S CA 0.019 58.257 58.200 0.062 0.000 1.095 466 S CB 1.236 64.470 63.200 0.058 0.000 0.987 466 S HN 0.823 nan 8.310 nan 0.000 0.474 467 G N 0.071 108.874 108.800 0.006 0.000 2.343 467 G HA2 0.658 4.627 3.960 0.014 0.000 0.289 467 G HA3 0.658 4.627 3.960 0.014 0.000 0.289 467 G C -1.160 173.579 174.900 -0.268 0.000 1.295 467 G CA 0.073 45.074 45.100 -0.166 0.000 0.869 467 G HN 1.671 nan 8.290 nan 0.000 0.522 468 A N -0.342 122.193 122.820 -0.475 0.000 2.271 468 A HA 0.867 5.196 4.320 0.014 0.000 0.317 468 A C -1.282 175.935 177.584 -0.612 0.000 1.245 468 A CA -0.382 51.428 52.037 -0.378 0.000 0.857 468 A CB 0.412 19.262 19.000 -0.251 0.000 1.175 468 A HN 0.938 nan 8.150 nan 0.000 0.512 469 Y N 2.123 122.408 120.300 -0.026 0.000 2.492 469 Y HA 0.434 4.993 4.550 0.014 0.000 0.346 469 Y C -1.560 174.331 175.900 -0.014 0.000 0.997 469 Y CA -1.618 56.474 58.100 -0.013 0.000 1.025 469 Y CB 1.928 40.385 38.460 -0.005 0.000 1.263 469 Y HN 0.578 nan 8.280 nan 0.000 0.454 470 P HA -0.067 nan 4.420 nan 0.000 0.215 470 P C -0.347 176.991 177.300 0.063 0.000 1.157 470 P CA 1.094 64.234 63.100 0.067 0.000 0.863 470 P CB 0.263 31.992 31.700 0.050 0.000 0.787 471 A N -0.123 122.743 122.820 0.077 0.000 2.288 471 A HA 0.261 4.590 4.320 0.014 0.000 0.320 471 A C 0.636 178.250 177.584 0.049 0.000 1.217 471 A CA -0.451 51.610 52.037 0.041 0.000 0.840 471 A CB 0.681 19.699 19.000 0.030 0.000 1.179 471 A HN 0.004 nan 8.150 nan 0.000 0.504 472 E N 0.662 120.876 120.200 0.023 0.000 2.481 472 E HA 0.053 4.411 4.350 0.014 0.000 0.195 472 E C -0.432 176.229 176.600 0.100 0.000 1.047 472 E CA 0.349 56.806 56.400 0.095 0.000 0.867 472 E CB 0.195 29.975 29.700 0.133 0.000 0.858 472 E HN 0.456 nan 8.360 nan 0.000 0.513 473 L N 0.083 121.296 121.223 -0.017 0.000 2.436 473 L HA 0.594 4.942 4.340 0.014 0.000 0.268 473 L C -1.691 175.198 176.870 0.032 0.000 0.974 473 L CA -0.862 53.987 54.840 0.015 0.000 0.826 473 L CB 1.851 43.843 42.059 -0.112 0.000 1.291 473 L HN -0.176 nan 8.230 nan 0.000 0.406 474 A N 4.852 127.701 122.820 0.048 0.000 2.343 474 A HA 0.794 5.122 4.320 0.014 0.000 0.308 474 A C -1.162 176.454 177.584 0.053 0.000 1.092 474 A CA -0.246 51.818 52.037 0.045 0.000 0.751 474 A CB 1.466 20.471 19.000 0.008 0.000 1.203 474 A HN 1.221 nan 8.150 nan 0.000 0.452 475 V N 0.123 120.084 119.914 0.078 0.000 2.769 475 V HA 1.008 5.137 4.120 0.014 0.000 0.312 475 V C 0.074 176.177 176.094 0.014 0.000 1.061 475 V CA -0.101 62.205 62.300 0.010 0.000 0.931 475 V CB 1.575 33.407 31.823 0.016 0.000 1.010 475 V HN 1.440 nan 8.190 nan 0.000 0.433 476 G N 2.833 111.538 108.800 -0.159 0.000 2.566 476 G HA2 0.737 4.706 3.960 0.014 0.000 0.311 476 G HA3 0.737 4.706 3.960 0.014 0.000 0.311 476 G C -1.653 173.118 174.900 -0.214 0.000 1.322 476 G CA -0.552 44.525 45.100 -0.039 0.000 0.969 476 G HN 0.590 nan 8.290 nan 0.000 0.490 477 F N 1.218 121.233 119.950 0.107 0.000 2.467 477 F HA 0.547 5.082 4.527 0.013 0.000 0.336 477 F C -0.028 175.815 175.800 0.073 0.000 1.123 477 F CA -0.875 57.191 58.000 0.110 0.000 0.964 477 F CB 2.640 41.760 39.000 0.200 0.000 1.136 477 F HN 0.346 nan 8.300 nan 0.000 0.447 478 D N 0.951 121.459 120.400 0.181 0.000 2.614 478 D HA 0.813 5.462 4.640 0.014 0.000 0.264 478 D C -1.405 174.958 176.300 0.106 0.000 1.092 478 D CA -0.629 53.438 54.000 0.112 0.000 1.071 478 D CB 2.343 43.162 40.800 0.031 0.000 1.443 478 D HN 0.616 nan 8.370 nan 0.000 0.528 479 A N -0.168 122.696 122.820 0.073 0.000 2.365 479 A HA 0.737 5.065 4.320 0.014 0.000 0.318 479 A C 0.510 178.127 177.584 0.054 0.000 1.091 479 A CA -0.162 51.919 52.037 0.073 0.000 0.763 479 A CB 1.187 20.222 19.000 0.058 0.000 1.248 479 A HN 0.506 nan 8.150 nan 0.000 0.442 484 S N -0.705 114.931 115.700 -0.106 0.000 2.374 484 S HA 0.292 4.770 4.470 0.014 0.000 0.227 484 S C 0.935 175.567 174.600 0.053 0.000 1.037 484 S CA 2.206 60.420 58.200 0.022 0.000 1.024 484 S CB -0.944 62.339 63.200 0.137 0.000 0.861 484 S HN 1.451 nan 8.310 nan 0.000 0.456 485 F N -0.619 119.281 119.950 -0.083 0.000 2.507 485 F HA 0.841 5.378 4.527 0.017 0.000 0.327 485 F C 0.083 175.783 175.800 -0.166 0.000 1.068 485 F CA -1.569 56.344 58.000 -0.144 0.000 0.965 485 F CB 1.411 40.289 39.000 -0.203 0.000 1.192 485 F HN -0.135 nan 8.300 nan 0.000 0.476 486 R N 0.699 121.136 120.500 -0.105 0.000 2.960 486 R HA 0.627 4.975 4.340 0.014 0.000 0.249 486 R C -1.912 174.249 176.300 -0.232 0.000 1.192 486 R CA -1.094 54.927 56.100 -0.133 0.000 1.035 486 R CB 1.754 32.031 30.300 -0.040 0.000 1.234 486 R HN 0.627 nan 8.270 nan 0.000 0.493 487 F N -0.302 119.684 119.950 0.061 0.000 2.477 487 F HA 0.399 4.933 4.527 0.012 0.000 0.335 487 F C 0.638 176.470 175.800 0.053 0.000 1.130 487 F CA -0.560 57.486 58.000 0.077 0.000 0.948 487 F CB 2.192 41.234 39.000 0.071 0.000 1.154 487 F HN 0.533 nan 8.300 nan 0.000 0.439 488 G N 1.418 110.345 108.800 0.212 0.000 2.325 488 G HA2 0.572 4.540 3.960 0.014 0.000 0.298 488 G HA3 0.572 4.540 3.960 0.014 0.000 0.298 488 G C -0.413 174.593 174.900 0.177 0.000 1.134 488 G CA -0.521 44.678 45.100 0.164 0.000 0.876 488 G HN 0.943 nan 8.290 nan 0.000 0.452 489 G N -0.490 108.397 108.800 0.146 0.000 2.692 489 G HA2 0.860 4.828 3.960 0.014 0.000 0.291 489 G HA3 0.860 4.828 3.960 0.014 0.000 0.291 489 G C -1.029 173.871 174.900 -0.000 0.000 1.423 489 G CA 0.039 45.192 45.100 0.088 0.000 0.843 489 G HN 1.224 nan 8.290 nan 0.000 0.486 490 A N -0.794 121.971 122.820 -0.091 0.000 2.430 490 A HA 1.063 5.391 4.320 0.014 0.000 0.300 490 A C -0.410 177.070 177.584 -0.173 0.000 1.124 490 A CA -0.245 51.599 52.037 -0.322 0.000 0.766 490 A CB 1.896 20.573 19.000 -0.537 0.000 1.328 490 A HN 2.417 nan 8.150 nan 0.000 0.424 491 A N -0.987 121.712 122.820 -0.202 0.000 2.491 491 A HA 0.630 4.958 4.320 0.014 0.000 0.293 491 A C -0.121 177.441 177.584 -0.037 0.000 1.047 491 A CA 0.070 52.082 52.037 -0.041 0.000 0.735 491 A CB -0.021 18.995 19.000 0.027 0.000 1.281 491 A HN 2.394 nan 8.150 nan 0.000 0.398 492 C N 0.970 120.277 119.300 0.011 0.000 2.396 492 C HA 0.914 5.383 4.460 0.014 0.000 0.359 492 C C 0.931 175.963 174.990 0.070 0.000 1.307 492 C CA 0.228 59.267 59.018 0.034 0.000 2.392 492 C CB 0.368 28.141 27.740 0.055 0.000 2.245 492 C HN 2.048 nan 8.230 nan 0.000 0.615 493 A N 1.188 124.057 122.820 0.082 0.000 2.984 493 A HA 0.681 5.009 4.320 0.014 0.000 0.320 493 A C -0.165 177.493 177.584 0.124 0.000 1.142 493 A CA 0.535 52.621 52.037 0.083 0.000 0.772 493 A CB -0.274 18.746 19.000 0.034 0.000 1.195 493 A HN 2.600 nan 8.150 nan 0.000 0.459 494 V N 1.355 121.382 119.914 0.188 0.000 2.475 494 V HA 0.454 4.582 4.120 0.014 0.000 0.292 494 V C 1.079 177.253 176.094 0.134 0.000 1.003 494 V CA 1.360 63.815 62.300 0.259 0.000 1.120 494 V CB -0.477 31.514 31.823 0.280 0.000 0.937 494 V HN 2.455 nan 8.190 nan 0.000 0.476 495 G N 3.405 112.375 108.800 0.283 0.000 2.722 495 G HA2 0.321 4.289 3.960 0.014 0.000 0.686 495 G HA3 0.321 4.289 3.960 0.014 0.000 0.686 495 G C 0.251 175.211 174.900 0.101 0.000 1.282 495 G CA -0.172 45.035 45.100 0.178 0.000 0.817 495 G HN 2.490 nan 8.290 nan 0.000 0.605 496 G N 1.023 109.895 108.800 0.119 0.000 2.428 496 G HA2 0.677 4.645 3.960 0.014 0.000 0.290 496 G HA3 0.677 4.645 3.960 0.014 0.000 0.290 496 G C 0.789 175.699 174.900 0.016 0.000 0.996 496 G CA 2.067 47.214 45.100 0.078 0.000 1.406 496 G HN 2.563 nan 8.290 nan 0.000 0.445 501 L N 2.565 123.877 121.223 0.148 0.000 2.375 501 L HA 0.729 5.077 4.340 0.014 0.000 0.268 501 L C -0.335 176.602 176.870 0.110 0.000 1.058 501 L CA -1.020 53.891 54.840 0.117 0.000 0.803 501 L CB 1.187 43.305 42.059 0.097 0.000 1.212 501 L HN 0.561 nan 8.230 nan 0.000 0.451 502 L N -1.486 119.811 121.223 0.123 0.000 2.838 502 L HA 0.614 4.962 4.340 0.014 0.000 0.266 502 L C -1.369 175.610 176.870 0.182 0.000 1.040 502 L CA -0.823 54.078 54.840 0.102 0.000 0.906 502 L CB 1.357 43.380 42.059 -0.060 0.000 1.501 502 L HN 0.732 nan 8.230 nan 0.000 0.407 503 W N -0.431 120.943 121.300 0.123 0.000 2.762 503 W HA 0.912 5.582 4.660 0.017 0.000 0.355 503 W C -1.262 175.298 176.519 0.069 0.000 1.124 503 W CA -0.338 57.065 57.345 0.097 0.000 1.141 503 W CB 1.006 30.576 29.460 0.184 0.000 1.432 503 W HN 0.789 nan 8.180 nan 0.000 0.586 504 T N 0.382 115.144 114.554 0.346 0.000 2.908 504 T HA 0.371 4.729 4.350 0.014 0.000 0.290 504 T C -0.399 174.585 174.700 0.474 0.000 1.034 504 T CA -0.949 61.263 62.100 0.187 0.000 1.010 504 T CB 2.141 71.043 68.868 0.056 0.000 1.068 504 T HN 0.519 nan 8.240 nan 0.000 0.481 505 L N 3.131 124.556 121.223 0.337 0.000 2.562 505 L HA 0.253 4.601 4.340 0.014 0.000 0.271 505 L C -2.098 174.915 176.870 0.238 0.000 1.167 505 L CA -1.117 53.947 54.840 0.373 0.000 0.917 505 L CB 0.050 42.250 42.059 0.236 0.000 1.187 505 L HN 0.554 nan 8.230 nan 0.000 0.482 506 P HA 0.210 nan 4.420 nan 0.000 0.275 506 P C -1.173 176.285 177.300 0.263 0.000 1.266 506 P CA -0.298 62.929 63.100 0.211 0.000 0.793 506 P CB 0.640 32.447 31.700 0.179 0.000 1.074 507 E N -0.089 120.285 120.200 0.290 0.000 2.244 507 E HA 0.556 4.914 4.350 0.014 0.000 0.260 507 E C -1.241 175.469 176.600 0.183 0.000 0.884 507 E CA -0.835 55.700 56.400 0.225 0.000 0.777 507 E CB 0.790 30.562 29.700 0.121 0.000 1.197 507 E HN 0.462 nan 8.360 nan 0.000 0.416 508 A N 4.817 127.689 122.820 0.087 0.000 2.540 508 A HA 0.411 4.740 4.320 0.014 0.000 0.239 508 A C -0.079 177.416 177.584 -0.149 0.000 1.061 508 A CA 0.381 52.242 52.037 -0.294 0.000 0.758 508 A CB 0.068 18.837 19.000 -0.386 0.000 0.991 508 A HN 0.709 nan 8.150 nan 0.000 0.502 509 Q N 0.555 120.265 119.800 -0.149 0.000 2.626 509 Q HA 0.712 5.060 4.340 0.014 0.000 0.300 509 Q C 0.210 176.190 176.000 -0.033 0.000 0.988 509 Q CA -0.424 55.342 55.803 -0.063 0.000 0.761 509 Q CB 1.545 30.268 28.738 -0.025 0.000 1.494 509 Q HN 0.679 nan 8.270 nan 0.000 0.439 510 A N 0.636 123.446 122.820 -0.017 0.000 1.874 510 A HA 0.343 4.672 4.320 0.014 0.000 0.214 510 A C 0.930 178.516 177.584 0.004 0.000 1.189 510 A CA 1.718 53.757 52.037 0.002 0.000 0.615 510 A CB -0.663 18.333 19.000 -0.006 0.000 0.830 510 A HN 0.795 nan 8.150 nan 0.000 0.443 511 G N -1.669 107.128 108.800 -0.005 0.000 3.259 511 G HA2 0.403 4.371 3.960 0.014 0.000 0.178 511 G HA3 0.403 4.371 3.960 0.014 0.000 0.178 511 G C 0.426 175.324 174.900 -0.003 0.000 1.129 511 G CA 0.667 45.763 45.100 -0.006 0.000 0.816 511 G HN 0.147 nan 8.290 nan 0.000 0.634 512 E N -0.049 120.151 120.200 0.000 0.000 2.086 512 E HA 0.020 4.378 4.350 0.014 0.000 0.190 512 E C 1.447 178.058 176.600 0.018 0.000 0.975 512 E CA 0.010 56.416 56.400 0.011 0.000 0.813 512 E CB -0.058 29.647 29.700 0.008 0.000 0.768 512 E HN 0.357 nan 8.360 nan 0.000 0.457 513 R N 1.190 121.696 120.500 0.010 0.000 2.502 513 R HA 0.030 4.378 4.340 0.014 0.000 0.292 513 R C -0.520 175.781 176.300 0.002 0.000 0.998 513 R CA 0.102 56.206 56.100 0.007 0.000 1.056 513 R CB 0.082 30.381 30.300 -0.001 0.000 0.939 513 R HN 0.217 nan 8.270 nan 0.000 0.411 514 I N 8.101 128.667 120.570 -0.006 0.000 2.315 514 I HA 0.230 4.409 4.170 0.014 0.000 0.291 514 I C -1.822 174.264 176.117 -0.052 0.000 1.006 514 I CA -2.605 58.685 61.300 -0.018 0.000 1.265 514 I CB 1.552 39.542 38.000 -0.017 0.000 1.387 514 I HN 0.517 nan 8.210 nan 0.000 0.475 515 P HA -0.126 nan 4.420 nan 0.000 0.265 515 P C 0.377 177.641 177.300 -0.060 0.000 1.167 515 P CA 0.375 63.455 63.100 -0.034 0.000 0.760 515 P CB 0.525 32.216 31.700 -0.015 0.000 0.783 516 Q N 2.231 121.997 119.800 -0.057 0.000 2.170 516 Q HA -0.211 4.137 4.340 0.014 0.000 0.203 516 Q C 1.694 177.669 176.000 -0.040 0.000 0.976 516 Q CA 1.310 57.067 55.803 -0.077 0.000 0.858 516 Q CB 0.081 28.785 28.738 -0.057 0.000 0.907 516 Q HN 0.548 nan 8.270 nan 0.000 0.433 517 E N -0.726 119.475 120.200 0.002 0.000 2.385 517 E HA -0.062 4.296 4.350 0.014 0.000 0.194 517 E C 1.740 178.385 176.600 0.074 0.000 1.013 517 E CA 0.547 56.986 56.400 0.065 0.000 0.866 517 E CB 0.012 29.745 29.700 0.055 0.000 0.832 517 E HN 0.181 nan 8.360 nan 0.000 0.500 518 V N 1.365 121.293 119.914 0.023 0.000 2.407 518 V HA -0.175 3.953 4.120 0.014 0.000 0.245 518 V C 2.626 178.733 176.094 0.023 0.000 1.041 518 V CA 1.135 63.449 62.300 0.022 0.000 1.040 518 V CB -0.158 31.677 31.823 0.020 0.000 0.671 518 V HN 0.086 nan 8.190 nan 0.000 0.455 519 V N -0.113 119.773 119.914 -0.048 0.000 2.252 519 V HA -0.356 3.773 4.120 0.014 0.000 0.249 519 V C 2.139 178.262 176.094 0.047 0.000 1.056 519 V CA 2.782 65.002 62.300 -0.133 0.000 1.022 519 V CB -0.772 30.682 31.823 -0.614 0.000 0.641 519 V HN 0.828 nan 8.190 nan 0.000 0.445 520 W N 1.007 122.239 121.300 -0.114 0.000 2.338 520 W HA -0.212 4.456 4.660 0.014 0.000 0.304 520 W C 2.092 178.622 176.519 0.018 0.000 1.212 520 W CA 1.840 59.161 57.345 -0.040 0.000 1.264 520 W CB -0.189 29.238 29.460 -0.055 0.000 1.142 520 W HN 0.358 nan 8.180 nan 0.000 0.512 521 D N 1.051 121.313 120.400 -0.230 0.000 2.084 521 D HA -0.192 4.456 4.640 0.014 0.000 0.194 521 D C 2.309 178.466 176.300 -0.239 0.000 0.990 521 D CA 1.777 55.579 54.000 -0.330 0.000 0.826 521 D CB -0.933 39.791 40.800 -0.127 0.000 0.971 521 D HN 0.226 nan 8.370 nan 0.000 0.453 522 L N 0.116 121.299 121.223 -0.068 0.000 2.129 522 L HA -0.182 4.167 4.340 0.014 0.000 0.212 522 L C 2.280 179.133 176.870 -0.028 0.000 1.087 522 L CA 0.514 55.352 54.840 -0.004 0.000 0.757 522 L CB -0.231 41.901 42.059 0.121 0.000 0.896 522 L HN 0.097 nan 8.230 nan 0.000 0.434 523 L N -0.425 120.787 121.223 -0.020 0.000 2.209 523 L HA -0.094 4.255 4.340 0.014 0.000 0.207 523 L C 2.347 179.082 176.870 -0.226 0.000 1.094 523 L CA 1.459 56.309 54.840 0.017 0.000 0.790 523 L CB -0.422 41.783 42.059 0.243 0.000 0.932 523 L HN 0.214 nan 8.230 nan 0.000 0.447 524 E N -0.717 119.102 120.200 -0.636 0.000 2.153 524 E HA -0.222 4.137 4.350 0.014 0.000 0.194 524 E C 1.739 178.216 176.600 -0.205 0.000 0.988 524 E CA 1.002 57.014 56.400 -0.647 0.000 0.811 524 E CB 0.117 29.243 29.700 -0.957 0.000 0.746 524 E HN 0.458 nan 8.360 nan 0.000 0.466 525 E N 0.073 120.174 120.200 -0.165 0.000 2.051 525 E HA -0.179 4.180 4.350 0.014 0.000 0.192 525 E C 2.367 179.000 176.600 0.054 0.000 0.991 525 E CA 1.950 58.330 56.400 -0.033 0.000 0.799 525 E CB -0.739 28.925 29.700 -0.060 0.000 0.748 525 E HN 0.526 nan 8.360 nan 0.000 0.449 526 T N -0.331 114.236 114.554 0.022 0.000 2.821 526 T HA -0.064 4.294 4.350 0.014 0.000 0.267 526 T C 2.234 177.016 174.700 0.136 0.000 1.046 526 T CA 0.765 62.905 62.100 0.067 0.000 1.139 526 T CB -0.478 68.415 68.868 0.042 0.000 0.871 526 T HN 0.034 nan 8.240 nan 0.000 0.454 527 L N -0.961 120.339 121.223 0.129 0.000 2.012 527 L HA -0.055 4.293 4.340 0.014 0.000 0.210 527 L C 2.774 179.807 176.870 0.272 0.000 1.073 527 L CA 1.942 56.894 54.840 0.186 0.000 0.748 527 L CB -0.688 41.478 42.059 0.177 0.000 0.891 527 L HN 0.475 nan 8.230 nan 0.000 0.431 528 W N 0.670 121.986 121.300 0.027 0.000 2.363 528 W HA -0.252 4.416 4.660 0.013 0.000 0.296 528 W C 2.484 179.028 176.519 0.042 0.000 1.212 528 W CA 1.356 58.717 57.345 0.027 0.000 1.260 528 W CB 0.078 29.523 29.460 -0.026 0.000 1.131 528 W HN 0.216 nan 8.180 nan 0.000 0.530 529 A N 0.015 122.910 122.820 0.125 0.000 1.883 529 A HA -0.278 4.050 4.320 0.014 0.000 0.217 529 A C 1.775 179.358 177.584 -0.002 0.000 1.186 529 A CA 1.717 53.764 52.037 0.016 0.000 0.624 529 A CB -1.567 17.457 19.000 0.040 0.000 0.822 529 A HN 0.399 nan 8.150 nan 0.000 0.444 530 F N 0.456 120.383 119.950 -0.039 0.000 2.171 530 F HA -0.152 4.383 4.527 0.013 0.000 0.300 530 F C 2.424 178.164 175.800 -0.099 0.000 1.090 530 F CA 1.860 59.844 58.000 -0.025 0.000 1.293 530 F CB -0.048 38.962 39.000 0.015 0.000 1.013 530 F HN 0.173 nan 8.300 nan 0.000 0.486 531 R N 1.243 121.751 120.500 0.013 0.000 2.120 531 R HA -0.123 4.225 4.340 0.014 0.000 0.234 531 R C 2.125 178.195 176.300 -0.384 0.000 1.123 531 R CA 1.469 57.434 56.100 -0.225 0.000 0.975 531 R CB -0.487 29.491 30.300 -0.535 0.000 0.866 531 R HN 0.319 nan 8.270 nan 0.000 0.446 532 R N 0.056 120.308 120.500 -0.413 0.000 2.090 532 R HA -0.024 4.325 4.340 0.014 0.000 0.228 532 R C 2.194 178.353 176.300 -0.236 0.000 1.110 532 R CA 1.030 56.928 56.100 -0.336 0.000 0.973 532 R CB -0.016 30.109 30.300 -0.291 0.000 0.869 532 R HN 0.074 nan 8.270 nan 0.000 0.440 533 K N 0.740 120.999 120.400 -0.236 0.000 2.005 533 K HA 0.116 4.444 4.320 0.014 0.000 0.206 533 K C 1.264 177.728 176.600 -0.226 0.000 1.044 533 K CA 0.928 57.113 56.287 -0.170 0.000 0.942 533 K CB -0.498 31.987 32.500 -0.024 0.000 0.727 533 K HN 0.069 nan 8.250 nan 0.000 0.439 534 A N 0.420 122.996 122.820 -0.406 0.000 2.259 534 A HA 0.518 4.847 4.320 0.014 0.000 0.278 534 A C 0.899 178.359 177.584 -0.206 0.000 1.107 534 A CA 0.192 52.037 52.037 -0.320 0.000 0.828 534 A CB 0.189 18.916 19.000 -0.455 0.000 1.111 534 A HN 0.338 nan 8.150 nan 0.000 0.498 535 G N -0.461 108.272 108.800 -0.111 0.000 3.959 535 G HA2 0.497 4.465 3.960 0.014 0.000 0.298 535 G HA3 0.497 4.465 3.960 0.014 0.000 0.298 535 G C 0.120 175.001 174.900 -0.031 0.000 1.211 535 G CA -0.120 44.931 45.100 -0.082 0.000 1.001 535 G HN 0.945 nan 8.290 nan 0.000 0.561 536 R N -2.871 117.639 120.500 0.016 0.000 2.687 536 R HA 0.621 4.969 4.340 0.014 0.000 0.265 536 R C -0.818 175.618 176.300 0.227 0.000 1.048 536 R CA -1.041 55.118 56.100 0.098 0.000 0.884 536 R CB 0.193 30.560 30.300 0.111 0.000 1.258 536 R HN 0.192 nan 8.270 nan 0.000 0.469 537 L N 0.781 122.108 121.223 0.173 0.000 2.483 537 L HA 0.486 4.835 4.340 0.014 0.000 0.275 537 L C -1.879 175.036 176.870 0.075 0.000 1.220 537 L CA -1.278 53.658 54.840 0.160 0.000 0.833 537 L CB -1.105 41.028 42.059 0.123 0.000 1.102 537 L HN 0.614 nan 8.230 nan 0.000 0.490 538 P HA 0.306 nan 4.420 nan 0.000 0.274 538 P C 0.760 177.961 177.300 -0.166 0.000 1.237 538 P CA 0.338 63.131 63.100 -0.512 0.000 0.793 538 P CB 0.860 31.952 31.700 -1.014 0.000 0.977 539 S N 1.283 116.924 115.700 -0.098 0.000 2.406 539 S HA 0.032 4.510 4.470 0.014 0.000 0.224 539 S C 0.722 175.305 174.600 -0.029 0.000 1.030 539 S CA 0.430 58.613 58.200 -0.030 0.000 0.958 539 S CB -0.028 63.172 63.200 -0.001 0.000 0.811 539 S HN 0.467 nan 8.310 nan 0.000 0.489 540 R N 0.629 121.099 120.500 -0.049 0.000 2.604 540 R HA 0.549 4.898 4.340 0.014 0.000 0.281 540 R C -1.832 174.455 176.300 -0.022 0.000 1.020 540 R CA -0.625 55.466 56.100 -0.015 0.000 0.899 540 R CB 2.204 32.502 30.300 -0.003 0.000 1.205 540 R HN 0.236 nan 8.270 nan 0.000 0.450 541 V N 1.834 121.771 119.914 0.038 0.000 2.628 541 V HA 0.641 4.769 4.120 0.014 0.000 0.306 541 V C -0.912 175.241 176.094 0.098 0.000 1.045 541 V CA -1.125 61.208 62.300 0.055 0.000 0.905 541 V CB 1.611 33.492 31.823 0.097 0.000 0.997 541 V HN 0.643 nan 8.190 nan 0.000 0.436 542 L N 4.676 125.946 121.223 0.079 0.000 2.282 542 L HA 0.745 5.093 4.340 0.014 0.000 0.288 542 L C -0.911 176.030 176.870 0.118 0.000 1.033 542 L CA -0.228 54.659 54.840 0.078 0.000 0.807 542 L CB 1.113 43.197 42.059 0.041 0.000 1.209 542 L HN 0.702 nan 8.230 nan 0.000 0.423 543 L N 6.331 127.622 121.223 0.113 0.000 2.333 543 L HA 0.560 4.909 4.340 0.014 0.000 0.280 543 L C -0.852 176.057 176.870 0.065 0.000 1.004 543 L CA -0.080 54.858 54.840 0.163 0.000 0.820 543 L CB 1.682 43.821 42.059 0.132 0.000 1.247 543 L HN 0.484 nan 8.230 nan 0.000 0.416 544 L N 4.017 125.345 121.223 0.176 0.000 2.349 544 L HA 0.617 4.965 4.340 0.014 0.000 0.278 544 L C -0.145 176.841 176.870 0.194 0.000 0.996 544 L CA -0.654 54.251 54.840 0.108 0.000 0.825 544 L CB 1.627 43.744 42.059 0.097 0.000 1.243 544 L HN 0.474 nan 8.230 nan 0.000 0.412 545 R N 2.209 122.742 120.500 0.055 0.000 2.338 545 R HA 0.206 4.554 4.340 0.014 0.000 0.317 545 R C -1.025 175.319 176.300 0.075 0.000 0.968 545 R CA -0.701 55.462 56.100 0.106 0.000 0.849 545 R CB 1.617 31.907 30.300 -0.017 0.000 1.128 545 R HN 0.564 nan 8.270 nan 0.000 0.448 546 D N 2.591 123.055 120.400 0.107 0.000 2.382 546 D HA 0.332 4.980 4.640 0.014 0.000 0.259 546 D C 0.618 176.941 176.300 0.038 0.000 1.224 546 D CA 1.649 55.684 54.000 0.058 0.000 0.894 546 D CB 0.496 41.329 40.800 0.055 0.000 1.127 546 D HN 0.769 nan 8.370 nan 0.000 0.487 547 G N 2.152 110.958 108.800 0.011 0.000 2.568 547 G HA2 0.173 4.142 3.960 0.014 0.000 0.222 547 G HA3 0.173 4.142 3.960 0.014 0.000 0.222 547 G C 0.051 174.945 174.900 -0.011 0.000 1.321 547 G CA -0.091 45.008 45.100 -0.001 0.000 0.893 547 G HN 0.839 nan 8.290 nan 0.000 0.569 548 R N -1.026 119.467 120.500 -0.011 0.000 2.641 548 R HA 0.868 5.216 4.340 0.014 0.000 0.269 548 R C 0.787 177.087 176.300 -0.001 0.000 1.074 548 R CA 0.891 56.980 56.100 -0.017 0.000 1.133 548 R CB -0.033 30.256 30.300 -0.019 0.000 1.029 548 R HN 2.443 nan 8.270 nan 0.000 0.488 549 V N 2.695 122.602 119.914 -0.010 0.000 2.288 549 V HA 0.486 4.614 4.120 0.014 0.000 0.266 549 V C -1.999 174.115 176.094 0.034 0.000 1.048 549 V CA -2.290 60.020 62.300 0.017 0.000 0.842 549 V CB 0.718 32.511 31.823 -0.050 0.000 1.064 549 V HN 0.828 nan 8.190 nan 0.000 0.472 550 P HA 0.328 nan 4.420 nan 0.000 0.263 550 P C 0.414 177.733 177.300 0.032 0.000 1.175 550 P CA 0.946 64.063 63.100 0.028 0.000 0.761 550 P CB 0.235 31.951 31.700 0.026 0.000 0.794 551 Q N 2.518 122.327 119.800 0.015 0.000 2.520 551 Q HA -0.066 4.282 4.340 0.014 0.000 0.320 551 Q C 0.793 176.803 176.000 0.017 0.000 1.104 551 Q CA 1.115 56.925 55.803 0.012 0.000 1.062 551 Q CB -1.301 27.438 28.738 0.001 0.000 1.005 551 Q HN 0.652 nan 8.270 nan 0.000 0.390 552 D N 0.392 120.809 120.400 0.028 0.000 2.911 552 D HA -0.216 4.432 4.640 0.014 0.000 0.199 552 D C 1.146 177.459 176.300 0.021 0.000 1.041 552 D CA 1.498 55.511 54.000 0.022 0.000 1.013 552 D CB -1.227 39.573 40.800 0.000 0.000 1.093 552 D HN 1.043 nan 8.370 nan 0.000 0.431 553 E N -0.379 119.848 120.200 0.045 0.000 2.338 553 E HA -0.117 4.242 4.350 0.014 0.000 0.197 553 E C 1.393 177.906 176.600 -0.146 0.000 1.007 553 E CA 0.850 57.233 56.400 -0.030 0.000 0.849 553 E CB -0.257 29.432 29.700 -0.018 0.000 0.774 553 E HN 0.362 nan 8.360 nan 0.000 0.506 554 F N 0.034 119.916 119.950 -0.114 0.000 2.678 554 F HA 0.468 5.003 4.527 0.013 0.000 0.305 554 F C 2.073 177.791 175.800 -0.136 0.000 1.090 554 F CA 0.090 58.003 58.000 -0.144 0.000 1.272 554 F CB 0.550 39.443 39.000 -0.178 0.000 1.060 554 F HN 0.120 nan 8.300 nan 0.000 0.576 555 A N 0.161 122.994 122.820 0.021 0.000 1.940 555 A HA -0.186 4.142 4.320 0.014 0.000 0.219 555 A C 2.202 179.735 177.584 -0.084 0.000 1.176 555 A CA 1.624 53.645 52.037 -0.028 0.000 0.631 555 A CB -0.711 18.275 19.000 -0.025 0.000 0.814 555 A HN 0.448 nan 8.150 nan 0.000 0.446 556 L N -1.336 119.826 121.223 -0.101 0.000 2.162 556 L HA 0.007 4.356 4.340 0.014 0.000 0.205 556 L C 2.852 179.577 176.870 -0.242 0.000 1.086 556 L CA 1.046 55.794 54.840 -0.153 0.000 0.778 556 L CB -0.325 41.668 42.059 -0.111 0.000 0.928 556 L HN 0.398 nan 8.230 nan 0.000 0.446 557 A N 0.024 122.759 122.820 -0.141 0.000 1.898 557 A HA -0.172 4.157 4.320 0.014 0.000 0.216 557 A C 2.132 179.601 177.584 -0.192 0.000 1.181 557 A CA 1.334 53.335 52.037 -0.060 0.000 0.620 557 A CB -0.664 18.414 19.000 0.130 0.000 0.819 557 A HN 0.445 nan 8.150 nan 0.000 0.442 558 L N -0.780 120.318 121.223 -0.209 0.000 2.046 558 L HA -0.178 4.171 4.340 0.014 0.000 0.208 558 L C 2.705 179.398 176.870 -0.295 0.000 1.077 558 L CA 1.278 55.872 54.840 -0.410 0.000 0.747 558 L CB -0.664 41.100 42.059 -0.491 0.000 0.896 558 L HN 0.388 nan 8.230 nan 0.000 0.432 559 E N 0.452 120.509 120.200 -0.238 0.000 2.048 559 E HA -0.298 4.060 4.350 0.014 0.000 0.202 559 E C 2.238 178.682 176.600 -0.261 0.000 1.021 559 E CA 1.795 58.075 56.400 -0.200 0.000 0.825 559 E CB -0.206 29.370 29.700 -0.207 0.000 0.756 559 E HN 0.487 nan 8.360 nan 0.000 0.454 560 A N 1.062 123.586 122.820 -0.494 0.000 1.908 560 A HA -0.174 4.154 4.320 0.014 0.000 0.218 560 A C 2.452 179.824 177.584 -0.353 0.000 1.181 560 A CA 1.331 52.961 52.037 -0.677 0.000 0.627 560 A CB -0.785 17.142 19.000 -1.789 0.000 0.818 560 A HN 0.205 nan 8.150 nan 0.000 0.445 561 L N -0.815 120.275 121.223 -0.222 0.000 2.012 561 L HA -0.258 4.091 4.340 0.014 0.000 0.210 561 L C 3.144 180.073 176.870 0.099 0.000 1.073 561 L CA 1.243 56.114 54.840 0.051 0.000 0.748 561 L CB -0.591 41.550 42.059 0.136 0.000 0.891 561 L HN 0.460 nan 8.230 nan 0.000 0.431 562 A N 0.189 123.066 122.820 0.096 0.000 1.883 562 A HA -0.237 4.092 4.320 0.014 0.000 0.217 562 A C 2.347 179.959 177.584 0.046 0.000 1.186 562 A CA 1.784 53.886 52.037 0.109 0.000 0.624 562 A CB -0.540 18.526 19.000 0.110 0.000 0.822 562 A HN 0.359 nan 8.150 nan 0.000 0.444 563 R N -0.761 119.738 120.500 -0.001 0.000 2.096 563 R HA -0.079 4.269 4.340 0.014 0.000 0.235 563 R C 2.350 178.667 176.300 0.030 0.000 1.127 563 R CA 1.617 57.715 56.100 -0.004 0.000 0.968 563 R CB -0.537 29.736 30.300 -0.045 0.000 0.861 563 R HN 0.686 nan 8.270 nan 0.000 0.440 564 E N 0.195 120.426 120.200 0.051 0.000 2.347 564 E HA 0.029 4.387 4.350 0.014 0.000 0.196 564 E C 1.444 178.097 176.600 0.088 0.000 1.008 564 E CA 0.932 57.390 56.400 0.097 0.000 0.852 564 E CB -0.549 29.247 29.700 0.160 0.000 0.783 564 E HN 0.537 nan 8.360 nan 0.000 0.505 565 G N -0.609 108.236 108.800 0.076 0.000 2.176 565 G HA2 -0.154 3.815 3.960 0.014 0.000 0.232 565 G HA3 -0.154 3.815 3.960 0.014 0.000 0.232 565 G C 0.448 175.388 174.900 0.067 0.000 0.986 565 G CA 0.250 45.388 45.100 0.063 0.000 0.643 565 G HN 1.122 nan 8.290 nan 0.000 0.522 566 I N 1.477 122.104 120.570 0.095 0.000 2.428 566 I HA 0.793 4.971 4.170 0.014 0.000 0.289 566 I C 0.524 176.714 176.117 0.121 0.000 1.019 566 I CA -0.286 61.070 61.300 0.093 0.000 1.351 566 I CB 1.193 39.255 38.000 0.103 0.000 1.412 566 I HN 0.674 nan 8.210 nan 0.000 0.513 567 A N 6.833 129.689 122.820 0.060 0.000 2.286 567 A HA 0.683 5.011 4.320 0.014 0.000 0.286 567 A C -1.100 176.532 177.584 0.080 0.000 1.097 567 A CA -0.183 51.849 52.037 -0.009 0.000 0.821 567 A CB 0.295 19.257 19.000 -0.064 0.000 1.076 567 A HN 0.973 nan 8.150 nan 0.000 0.490 568 Y N -1.566 118.761 120.300 0.045 0.000 2.571 568 Y HA 0.723 5.281 4.550 0.014 0.000 0.341 568 Y C -1.588 174.352 175.900 0.067 0.000 1.076 568 Y CA -1.356 56.778 58.100 0.058 0.000 1.029 568 Y CB 1.359 39.864 38.460 0.075 0.000 1.308 568 Y HN 0.513 nan 8.280 nan 0.000 0.461 569 D N 2.539 123.113 120.400 0.289 0.000 2.863 569 D HA 0.433 5.082 4.640 0.014 0.000 0.245 569 D C -1.647 174.725 176.300 0.121 0.000 1.211 569 D CA -0.323 53.800 54.000 0.205 0.000 0.888 569 D CB 2.542 43.372 40.800 0.050 0.000 1.483 569 D HN 0.769 nan 8.370 nan 0.000 0.533 570 L N 2.942 124.227 121.223 0.104 0.000 2.307 570 L HA 0.727 5.075 4.340 0.014 0.000 0.284 570 L C -1.389 175.433 176.870 -0.080 0.000 1.023 570 L CA -0.743 54.057 54.840 -0.067 0.000 0.810 570 L CB 1.234 43.197 42.059 -0.161 0.000 1.231 570 L HN 0.184 nan 8.230 nan 0.000 0.423 571 V N 2.902 122.741 119.914 -0.125 0.000 2.577 571 V HA 0.318 4.446 4.120 0.014 0.000 0.303 571 V C -0.154 175.875 176.094 -0.108 0.000 1.042 571 V CA -0.605 61.635 62.300 -0.100 0.000 0.872 571 V CB 1.989 33.762 31.823 -0.084 0.000 0.998 571 V HN 0.767 nan 8.190 nan 0.000 0.423 572 S N 3.511 119.150 115.700 -0.101 0.000 2.400 572 S HA 0.365 4.844 4.470 0.014 0.000 0.295 572 S C -0.081 174.463 174.600 -0.092 0.000 1.113 572 S CA -0.349 57.797 58.200 -0.090 0.000 1.064 572 S CB 0.829 63.982 63.200 -0.079 0.000 0.990 572 S HN 0.493 nan 8.310 nan 0.000 0.502 573 V N 6.161 126.037 119.914 -0.063 0.000 2.334 573 V HA 0.338 4.466 4.120 0.014 0.000 0.267 573 V C 0.319 176.386 176.094 -0.045 0.000 1.040 573 V CA -0.487 61.776 62.300 -0.062 0.000 0.866 573 V CB 0.192 31.999 31.823 -0.026 0.000 1.019 573 V HN 0.669 nan 8.190 nan 0.000 0.468 574 R N 3.697 124.159 120.500 -0.062 0.000 2.343 574 R HA 0.430 4.778 4.340 0.014 0.000 0.320 574 R C 0.571 176.851 176.300 -0.033 0.000 0.956 574 R CA -0.627 55.447 56.100 -0.044 0.000 0.836 574 R CB 1.849 32.117 30.300 -0.054 0.000 1.151 574 R HN 0.619 nan 8.270 nan 0.000 0.450 575 K N 1.196 121.587 120.400 -0.016 0.000 2.098 575 K HA 0.057 4.385 4.320 0.014 0.000 0.203 575 K C 0.998 177.596 176.600 -0.003 0.000 1.051 575 K CA 0.976 57.261 56.287 -0.005 0.000 0.957 575 K CB 0.202 32.704 32.500 0.004 0.000 0.738 575 K HN 0.603 nan 8.250 nan 0.000 0.447 576 S N 0.727 116.424 115.700 -0.006 0.000 2.489 576 S HA 0.506 4.984 4.470 0.014 0.000 0.277 576 S C 0.891 175.484 174.600 -0.012 0.000 1.230 576 S CA -0.095 58.104 58.200 -0.003 0.000 1.053 576 S CB 0.409 63.608 63.200 -0.002 0.000 0.955 576 S HN 0.414 nan 8.310 nan 0.000 0.488 577 G N 1.503 110.300 108.800 -0.005 0.000 2.192 577 G HA2 -0.053 3.915 3.960 0.014 0.000 0.193 577 G HA3 -0.053 3.915 3.960 0.014 0.000 0.193 577 G C 1.003 175.894 174.900 -0.015 0.000 0.999 577 G CA 0.315 45.407 45.100 -0.013 0.000 0.659 577 G HN 1.599 nan 8.290 nan 0.000 0.503 578 G N 0.362 109.155 108.800 -0.012 0.000 2.848 578 G HA2 0.502 4.470 3.960 0.014 0.000 0.208 578 G HA3 0.502 4.470 3.960 0.014 0.000 0.208 578 G C 1.627 176.528 174.900 0.002 0.000 1.152 578 G CA 1.617 46.709 45.100 -0.013 0.000 0.789 578 G HN 2.010 nan 8.290 nan 0.000 0.531 579 G N -0.180 108.631 108.800 0.019 0.000 2.601 579 G HA2 -0.210 3.758 3.960 0.014 0.000 0.261 579 G HA3 -0.210 3.758 3.960 0.014 0.000 0.261 579 G C -0.257 174.641 174.900 -0.003 0.000 1.289 579 G CA 0.051 45.172 45.100 0.035 0.000 0.920 579 G HN 0.672 nan 8.290 nan 0.000 0.571 580 R N -1.927 118.552 120.500 -0.036 0.000 2.854 580 R HA 0.780 5.128 4.340 0.014 0.000 0.271 580 R C -0.669 175.438 176.300 -0.322 0.000 0.996 580 R CA -0.555 55.426 56.100 -0.198 0.000 0.961 580 R CB 2.180 32.343 30.300 -0.229 0.000 1.182 580 R HN 0.754 nan 8.270 nan 0.000 0.479 581 V N 3.416 123.040 119.914 -0.484 0.000 2.525 581 V HA 0.481 4.609 4.120 0.014 0.000 0.299 581 V C -1.427 174.404 176.094 -0.439 0.000 1.034 581 V CA -0.715 61.377 62.300 -0.347 0.000 0.863 581 V CB 1.372 33.104 31.823 -0.151 0.000 0.999 581 V HN 0.612 nan 8.190 nan 0.000 0.423 582 Y N 5.058 125.457 120.300 0.164 0.000 2.509 582 Y HA 0.646 5.203 4.550 0.012 0.000 0.341 582 Y C -2.450 173.443 175.900 -0.012 0.000 1.038 582 Y CA -3.331 54.890 58.100 0.201 0.000 1.089 582 Y CB 1.628 40.313 38.460 0.375 0.000 1.241 582 Y HN 0.410 nan 8.280 nan 0.000 0.468 583 P HA 0.104 nan 4.420 nan 0.000 0.281 583 P C 0.672 177.783 177.300 -0.315 0.000 1.252 583 P CA -0.149 62.894 63.100 -0.096 0.000 0.778 583 P CB 1.322 33.038 31.700 0.027 0.000 0.895 584 V N 2.105 121.668 119.914 -0.585 0.000 2.317 584 V HA -0.210 3.918 4.120 0.014 0.000 0.251 584 V C 1.131 177.141 176.094 -0.139 0.000 1.065 584 V CA 1.950 63.884 62.300 -0.611 0.000 1.049 584 V CB -0.767 30.837 31.823 -0.366 0.000 0.651 584 V HN 0.695 nan 8.190 nan 0.000 0.450 585 Q N -3.216 116.542 119.800 -0.069 0.000 2.578 585 Q HA 0.480 4.828 4.340 0.014 0.000 0.284 585 Q C -0.246 175.775 176.000 0.035 0.000 0.960 585 Q CA 0.170 55.991 55.803 0.029 0.000 0.809 585 Q CB 1.872 30.628 28.738 0.030 0.000 1.462 585 Q HN 0.458 nan 8.270 nan 0.000 0.392 586 G N -0.211 108.637 108.800 0.080 0.000 2.527 586 G HA2 0.121 4.090 3.960 0.014 0.000 0.227 586 G HA3 0.121 4.090 3.960 0.014 0.000 0.227 586 G C -0.859 174.094 174.900 0.088 0.000 1.291 586 G CA 0.039 45.181 45.100 0.069 0.000 0.904 586 G HN 0.977 nan 8.290 nan 0.000 0.577 587 R N -1.581 118.925 120.500 0.010 0.000 2.787 587 R HA 1.050 5.398 4.340 0.014 0.000 0.271 587 R C 0.510 176.741 176.300 -0.115 0.000 0.993 587 R CA 0.550 56.600 56.100 -0.082 0.000 0.993 587 R CB 0.453 30.679 30.300 -0.124 0.000 1.155 587 R HN 2.488 nan 8.270 nan 0.000 0.486 588 L N 1.330 122.432 121.223 -0.201 0.000 2.283 588 L HA 0.810 5.158 4.340 0.014 0.000 0.287 588 L C 1.062 177.849 176.870 -0.138 0.000 1.073 588 L CA -0.607 54.139 54.840 -0.157 0.000 0.822 588 L CB -0.273 41.680 42.059 -0.176 0.000 1.186 588 L HN 1.513 nan 8.230 nan 0.000 0.436 589 A N 2.521 125.283 122.820 -0.097 0.000 2.364 589 A HA 0.442 4.770 4.320 0.014 0.000 0.258 589 A C 0.399 177.942 177.584 -0.068 0.000 1.131 589 A CA 0.357 52.349 52.037 -0.075 0.000 0.800 589 A CB 0.016 18.980 19.000 -0.060 0.000 1.086 589 A HN 1.028 nan 8.150 nan 0.000 0.508 590 D N -1.279 119.094 120.400 -0.045 0.000 2.232 590 D HA 0.466 5.115 4.640 0.014 0.000 0.242 590 D C 0.381 176.613 176.300 -0.114 0.000 1.093 590 D CA 1.147 55.136 54.000 -0.018 0.000 0.845 590 D CB 0.556 41.392 40.800 0.061 0.000 1.124 590 D HN 1.405 nan 8.370 nan 0.000 0.467 591 G N 2.853 111.544 108.800 -0.181 0.000 2.689 591 G HA2 -0.116 3.852 3.960 0.014 0.000 0.273 591 G HA3 -0.116 3.852 3.960 0.014 0.000 0.273 591 G C -0.964 173.694 174.900 -0.403 0.000 1.062 591 G CA -0.371 44.361 45.100 -0.613 0.000 1.279 591 G HN 0.397 nan 8.290 nan 0.000 0.547 592 L N 1.415 122.532 121.223 -0.176 0.000 2.330 592 L HA 0.831 5.179 4.340 0.014 0.000 0.271 592 L C 0.003 176.929 176.870 0.093 0.000 1.013 592 L CA -1.601 53.213 54.840 -0.043 0.000 0.816 592 L CB 1.732 43.770 42.059 -0.036 0.000 1.287 592 L HN 0.521 nan 8.230 nan 0.000 0.435 593 Y N 2.405 122.728 120.300 0.040 0.000 2.326 593 Y HA 0.742 5.299 4.550 0.013 0.000 0.329 593 Y C -1.487 174.519 175.900 0.177 0.000 0.973 593 Y CA -1.312 56.837 58.100 0.081 0.000 1.162 593 Y CB 1.480 39.939 38.460 -0.002 0.000 1.147 593 Y HN 0.231 nan 8.280 nan 0.000 0.456 594 V N 9.097 128.943 119.914 -0.112 0.000 2.444 594 V HA 0.487 4.616 4.120 0.014 0.000 0.294 594 V C -2.525 173.473 176.094 -0.159 0.000 1.022 594 V CA -1.988 60.191 62.300 -0.201 0.000 0.850 594 V CB 1.846 33.652 31.823 -0.028 0.000 0.992 594 V HN 0.686 nan 8.190 nan 0.000 0.426 595 P HA 0.512 nan 4.420 nan 0.000 0.293 595 P C -0.574 176.746 177.300 0.033 0.000 1.300 595 P CA -0.021 63.053 63.100 -0.043 0.000 0.792 595 P CB 1.117 32.768 31.700 -0.081 0.000 0.925 596 L N 0.934 122.211 121.223 0.091 0.000 2.535 596 L HA 0.471 4.819 4.340 0.014 0.000 0.259 596 L C 0.908 177.825 176.870 0.078 0.000 1.263 596 L CA -1.110 53.776 54.840 0.076 0.000 1.282 596 L CB 0.140 42.243 42.059 0.073 0.000 1.901 596 L HN 0.289 nan 8.230 nan 0.000 0.572 597 E N 1.411 121.649 120.200 0.062 0.000 2.502 597 E HA -0.114 4.244 4.350 0.014 0.000 0.261 597 E C -0.763 175.878 176.600 0.067 0.000 0.974 597 E CA -0.361 56.071 56.400 0.052 0.000 0.936 597 E CB 0.662 30.380 29.700 0.029 0.000 0.926 597 E HN 0.448 nan 8.360 nan 0.000 0.459 598 D N 3.336 123.773 120.400 0.062 0.000 2.474 598 D HA -0.127 4.521 4.640 0.014 0.000 0.232 598 D C 0.038 176.388 176.300 0.084 0.000 1.177 598 D CA 0.553 54.598 54.000 0.076 0.000 0.876 598 D CB 0.492 41.321 40.800 0.048 0.000 1.208 598 D HN 0.556 nan 8.370 nan 0.000 0.464 599 K N -0.948 119.526 120.400 0.124 0.000 3.583 599 K HA -0.154 4.174 4.320 0.014 0.000 0.287 599 K C -0.054 176.664 176.600 0.197 0.000 1.269 599 K CA 1.510 57.885 56.287 0.146 0.000 0.998 599 K CB -2.550 29.992 32.500 0.070 0.000 1.284 599 K HN 0.731 nan 8.250 nan 0.000 0.472 600 T N -0.447 114.224 114.554 0.195 0.000 2.952 600 T HA 0.716 5.074 4.350 0.014 0.000 0.305 600 T C -0.878 173.964 174.700 0.236 0.000 1.064 600 T CA -0.466 61.713 62.100 0.131 0.000 1.008 600 T CB 1.214 70.090 68.868 0.014 0.000 1.078 600 T HN 0.243 nan 8.240 nan 0.000 0.459 601 F N 2.221 122.223 119.950 0.086 0.000 2.664 601 F HA 0.857 5.392 4.527 0.014 0.000 0.317 601 F C -1.788 174.059 175.800 0.079 0.000 1.108 601 F CA -1.525 56.530 58.000 0.092 0.000 0.957 601 F CB 0.888 40.011 39.000 0.205 0.000 1.365 601 F HN 0.549 nan 8.300 nan 0.000 0.475 602 L N 1.173 122.569 121.223 0.288 0.000 2.397 602 L HA 0.781 5.129 4.340 0.014 0.000 0.266 602 L C -1.335 175.750 176.870 0.359 0.000 1.040 602 L CA -1.390 53.545 54.840 0.159 0.000 0.800 602 L CB 1.827 43.938 42.059 0.087 0.000 1.324 602 L HN 0.714 nan 8.230 nan 0.000 0.469 603 L N 0.459 121.804 121.223 0.204 0.000 2.565 603 L HA 0.537 4.885 4.340 0.014 0.000 0.261 603 L C -0.907 176.033 176.870 0.118 0.000 0.932 603 L CA -0.107 54.866 54.840 0.223 0.000 0.878 603 L CB 1.679 43.912 42.059 0.290 0.000 1.333 603 L HN 0.352 nan 8.230 nan 0.000 0.409 604 L N 3.204 124.474 121.223 0.078 0.000 2.407 604 L HA 0.774 5.123 4.340 0.014 0.000 0.261 604 L C 1.170 178.091 176.870 0.085 0.000 1.108 604 L CA 0.263 55.133 54.840 0.050 0.000 0.995 604 L CB -0.271 41.790 42.059 0.002 0.000 1.349 604 L HN 0.986 nan 8.230 nan 0.000 0.423 605 T N -0.619 114.031 114.554 0.159 0.000 3.215 605 T HA 0.622 4.981 4.350 0.014 0.000 0.254 605 T C 0.717 175.568 174.700 0.252 0.000 1.149 605 T CA 1.564 63.845 62.100 0.302 0.000 1.042 605 T CB -0.846 68.172 68.868 0.249 0.000 0.966 605 T HN 2.192 nan 8.240 nan 0.000 0.534 606 V N -2.541 117.469 119.914 0.159 0.000 3.279 606 V HA 0.854 4.982 4.120 0.014 0.000 0.296 606 V C -0.680 175.456 176.094 0.069 0.000 1.470 606 V CA -0.278 62.100 62.300 0.129 0.000 1.065 606 V CB 1.170 33.053 31.823 0.100 0.000 1.124 606 V HN 1.226 nan 8.190 nan 0.000 0.461 613 T N 2.564 117.222 114.554 0.172 0.000 2.841 613 T HA 0.648 5.006 4.350 0.014 0.000 0.285 613 T C -2.668 172.104 174.700 0.120 0.000 0.991 613 T CA -0.491 61.729 62.100 0.199 0.000 0.966 613 T CB 1.829 70.845 68.868 0.247 0.000 0.962 613 T HN 0.399 nan 8.240 nan 0.000 0.438 614 P HA 0.286 nan 4.420 nan 0.000 0.269 614 P C -0.492 176.825 177.300 0.028 0.000 1.209 614 P CA -0.475 62.650 63.100 0.042 0.000 0.776 614 P CB 0.542 32.249 31.700 0.012 0.000 0.876 615 R N 2.749 123.265 120.500 0.027 0.000 2.335 615 R HA 0.337 4.686 4.340 0.014 0.000 0.302 615 R C -2.354 173.954 176.300 0.014 0.000 1.147 615 R CA -1.720 54.392 56.100 0.020 0.000 1.111 615 R CB 0.622 30.939 30.300 0.029 0.000 1.122 615 R HN 0.390 nan 8.270 nan 0.000 0.557 616 P HA -0.058 nan 4.420 nan 0.000 0.265 616 P C -0.312 176.993 177.300 0.009 0.000 1.187 616 P CA 0.138 63.244 63.100 0.010 0.000 0.766 616 P CB 0.664 32.361 31.700 -0.004 0.000 0.820 617 L N 2.819 124.053 121.223 0.017 0.000 2.331 617 L HA 0.259 4.607 4.340 0.014 0.000 0.278 617 L C 1.032 177.869 176.870 -0.056 0.000 1.106 617 L CA -0.293 54.541 54.840 -0.009 0.000 0.824 617 L CB 0.402 42.465 42.059 0.007 0.000 1.142 617 L HN 0.329 nan 8.230 nan 0.000 0.443 618 K N 4.354 124.701 120.400 -0.088 0.000 2.264 618 K HA 0.473 4.801 4.320 0.014 0.000 0.277 618 K C -1.223 175.234 176.600 -0.239 0.000 1.067 618 K CA -0.658 55.541 56.287 -0.147 0.000 0.900 618 K CB 0.634 33.075 32.500 -0.098 0.000 1.124 618 K HN 0.354 nan 8.250 nan 0.000 0.469 619 L N 3.647 124.585 121.223 -0.476 0.000 2.344 619 L HA 0.479 4.827 4.340 0.014 0.000 0.272 619 L C -0.689 175.885 176.870 -0.494 0.000 1.035 619 L CA -0.842 53.655 54.840 -0.572 0.000 0.807 619 L CB 1.948 43.459 42.059 -0.914 0.000 1.237 619 L HN 0.250 nan 8.230 nan 0.000 0.442 620 V N 0.442 120.206 119.914 -0.250 0.000 2.445 620 V HA 0.184 4.313 4.120 0.014 0.000 0.283 620 V C -0.342 175.773 176.094 0.035 0.000 1.014 620 V CA -0.667 61.583 62.300 -0.084 0.000 0.852 620 V CB 0.897 32.681 31.823 -0.065 0.000 1.021 620 V HN 0.716 nan 8.190 nan 0.000 0.435 621 H N 2.646 121.740 119.070 0.040 0.000 3.226 621 H HA -0.007 4.558 4.556 0.014 0.000 0.260 621 H C 1.054 176.395 175.328 0.022 0.000 0.967 621 H CA 0.273 56.361 56.048 0.067 0.000 1.435 621 H CB 0.647 30.483 29.762 0.122 0.000 1.533 621 H HN 0.744 nan 8.280 nan 0.000 0.525 622 E N 3.252 123.582 120.200 0.217 0.000 2.340 622 E HA 0.273 4.632 4.350 0.014 0.000 0.194 622 E C -0.784 175.885 176.600 0.115 0.000 0.996 622 E CA 0.535 56.991 56.400 0.093 0.000 0.869 622 E CB 0.665 30.358 29.700 -0.012 0.000 0.835 622 E HN 0.661 nan 8.360 nan 0.000 0.493 623 A N -0.855 122.117 122.820 0.253 0.000 2.573 623 A HA 0.664 4.992 4.320 0.014 0.000 0.299 623 A C -0.186 177.605 177.584 0.344 0.000 1.060 623 A CA -0.274 51.896 52.037 0.222 0.000 0.736 623 A CB 0.770 19.906 19.000 0.226 0.000 1.280 623 A HN 0.281 nan 8.150 nan 0.000 0.401 624 G N 1.048 109.936 108.800 0.146 0.000 2.353 624 G HA2 0.443 4.412 3.960 0.014 0.000 0.424 624 G HA3 0.443 4.412 3.960 0.014 0.000 0.424 624 G C -0.489 174.374 174.900 -0.063 0.000 1.320 624 G CA 0.496 45.673 45.100 0.128 0.000 0.995 624 G HN 1.383 nan 8.290 nan 0.000 0.580 625 D N -1.442 118.951 120.400 -0.012 0.000 2.498 625 D HA 0.123 4.772 4.640 0.014 0.000 0.223 625 D C 0.866 177.185 176.300 0.031 0.000 1.125 625 D CA 0.517 54.487 54.000 -0.050 0.000 0.835 625 D CB 0.108 40.865 40.800 -0.071 0.000 1.086 625 D HN 0.467 nan 8.370 nan 0.000 0.510 626 T N 3.476 118.107 114.554 0.129 0.000 2.933 626 T HA 0.135 4.493 4.350 0.014 0.000 0.306 626 T C -2.416 172.367 174.700 0.138 0.000 1.045 626 T CA -0.277 61.890 62.100 0.112 0.000 1.143 626 T CB 0.901 69.824 68.868 0.092 0.000 1.003 626 T HN 0.037 nan 8.240 nan 0.000 0.540 627 P HA 0.096 nan 4.420 nan 0.000 0.268 627 P C 0.694 177.983 177.300 -0.019 0.000 1.204 627 P CA -0.391 62.711 63.100 0.003 0.000 0.768 627 P CB 0.426 32.094 31.700 -0.053 0.000 0.842 628 L N 2.806 124.029 121.223 -0.001 0.000 2.189 628 L HA -0.215 4.134 4.340 0.014 0.000 0.214 628 L C 1.917 178.511 176.870 -0.460 0.000 1.097 628 L CA 1.908 56.684 54.840 -0.107 0.000 0.764 628 L CB -1.223 40.843 42.059 0.012 0.000 0.900 628 L HN 0.403 nan 8.230 nan 0.000 0.436 629 E N -0.577 119.379 120.200 -0.407 0.000 2.031 629 E HA -0.181 4.177 4.350 0.014 0.000 0.193 629 E C 2.354 178.696 176.600 -0.430 0.000 0.994 629 E CA 1.425 57.455 56.400 -0.618 0.000 0.800 629 E CB -0.595 28.878 29.700 -0.377 0.000 0.752 629 E HN 0.447 nan 8.360 nan 0.000 0.447 630 A N 0.925 123.601 122.820 -0.240 0.000 1.940 630 A HA -0.170 4.158 4.320 0.014 0.000 0.219 630 A C 2.218 179.775 177.584 -0.044 0.000 1.176 630 A CA 1.187 53.151 52.037 -0.122 0.000 0.631 630 A CB -0.731 18.215 19.000 -0.089 0.000 0.814 630 A HN 0.163 nan 8.150 nan 0.000 0.446 631 L N -0.899 120.260 121.223 -0.107 0.000 1.961 631 L HA -0.237 4.111 4.340 0.014 0.000 0.210 631 L C 3.181 180.040 176.870 -0.020 0.000 1.072 631 L CA 1.386 56.197 54.840 -0.049 0.000 0.749 631 L CB -0.832 41.198 42.059 -0.048 0.000 0.889 631 L HN 0.452 nan 8.230 nan 0.000 0.432 632 A N -0.962 121.699 122.820 -0.265 0.000 1.958 632 A HA -0.318 4.011 4.320 0.014 0.000 0.221 632 A C 2.264 179.858 177.584 0.017 0.000 1.178 632 A CA 2.105 54.011 52.037 -0.218 0.000 0.642 632 A CB -1.096 17.393 19.000 -0.853 0.000 0.816 632 A HN 0.602 nan 8.150 nan 0.000 0.453 633 H N -0.562 118.453 119.070 -0.092 0.000 2.293 633 H HA -0.172 4.393 4.556 0.015 0.000 0.300 633 H C 2.218 177.749 175.328 0.338 0.000 1.082 633 H CA 2.195 58.323 56.048 0.134 0.000 1.308 633 H CB -0.302 29.471 29.762 0.018 0.000 1.375 633 H HN 0.679 nan 8.280 nan 0.000 0.495 634 Q N 0.139 120.106 119.800 0.278 0.000 2.050 634 Q HA -0.114 4.235 4.340 0.014 0.000 0.202 634 Q C 2.553 178.565 176.000 0.019 0.000 0.980 634 Q CA 1.584 57.469 55.803 0.137 0.000 0.840 634 Q CB 0.083 28.898 28.738 0.129 0.000 0.898 634 Q HN 0.399 nan 8.270 nan 0.000 0.424 635 I N 0.734 121.351 120.570 0.078 0.000 2.068 635 I HA -0.316 3.862 4.170 0.014 0.000 0.238 635 I C 2.342 178.495 176.117 0.060 0.000 1.046 635 I CA 1.675 63.020 61.300 0.075 0.000 1.306 635 I CB -1.486 36.610 38.000 0.159 0.000 1.023 635 I HN 0.361 nan 8.210 nan 0.000 0.399 636 F N 1.596 121.540 119.950 -0.010 0.000 2.192 636 F HA -0.255 4.279 4.527 0.012 0.000 0.301 636 F C 2.737 178.417 175.800 -0.201 0.000 1.079 636 F CA 1.816 59.765 58.000 -0.086 0.000 1.303 636 F CB -0.557 38.385 39.000 -0.096 0.000 1.024 636 F HN 0.199 nan 8.300 nan 0.000 0.494 637 H N -0.155 118.694 119.070 -0.368 0.000 2.403 637 H HA -0.003 4.562 4.556 0.015 0.000 0.298 637 H C 2.405 177.453 175.328 -0.466 0.000 1.059 637 H CA 1.475 57.231 56.048 -0.487 0.000 1.363 637 H CB -0.286 29.312 29.762 -0.274 0.000 1.410 637 H HN 0.323 nan 8.280 nan 0.000 0.528 638 L N 0.472 121.543 121.223 -0.253 0.000 2.261 638 L HA -0.149 4.199 4.340 0.014 0.000 0.216 638 L C 2.366 179.103 176.870 -0.222 0.000 1.114 638 L CA 0.803 55.508 54.840 -0.224 0.000 0.777 638 L CB -0.356 41.613 42.059 -0.150 0.000 0.910 638 L HN 0.225 nan 8.230 nan 0.000 0.440 639 T N -0.783 113.582 114.554 -0.314 0.000 2.788 639 T HA -0.185 4.173 4.350 0.014 0.000 0.268 639 T C 1.732 176.216 174.700 -0.359 0.000 1.044 639 T CA 1.197 63.107 62.100 -0.316 0.000 1.139 639 T CB -0.112 68.506 68.868 -0.416 0.000 0.867 639 T HN 0.188 nan 8.240 nan 0.000 0.454 640 R N 0.496 120.657 120.500 -0.564 0.000 2.320 640 R HA 0.342 4.690 4.340 0.014 0.000 0.211 640 R C 1.664 177.801 176.300 -0.271 0.000 0.931 640 R CA 0.054 55.730 56.100 -0.707 0.000 1.071 640 R CB -0.329 29.353 30.300 -1.031 0.000 1.025 640 R HN 0.321 nan 8.270 nan 0.000 0.495 641 L N -0.444 120.682 121.223 -0.162 0.000 2.567 641 L HA 0.172 4.520 4.340 0.014 0.000 0.225 641 L C -0.185 176.687 176.870 0.004 0.000 1.119 641 L CA -0.080 54.706 54.840 -0.091 0.000 0.871 641 L CB 0.115 42.108 42.059 -0.110 0.000 1.036 641 L HN 0.200 nan 8.230 nan 0.000 0.459 642 Y N 2.153 122.417 120.300 -0.060 0.000 2.537 642 Y HA 0.092 4.651 4.550 0.015 0.000 0.339 642 Y C -1.712 174.185 175.900 -0.005 0.000 1.066 642 Y CA -1.938 56.146 58.100 -0.028 0.000 1.357 642 Y CB 0.728 39.142 38.460 -0.075 0.000 1.175 642 Y HN 0.017 nan 8.280 nan 0.000 0.525 643 P HA -0.093 nan 4.420 nan 0.000 0.213 643 P C 0.500 177.585 177.300 -0.358 0.000 1.170 643 P CA 2.007 64.895 63.100 -0.353 0.000 0.889 643 P CB 0.113 31.610 31.700 -0.339 0.000 0.782 644 A N -0.170 122.311 122.820 -0.565 0.000 2.268 644 A HA 0.058 4.386 4.320 0.014 0.000 0.221 644 A C 1.932 179.517 177.584 0.002 0.000 1.287 644 A CA 0.860 52.753 52.037 -0.240 0.000 0.902 644 A CB -1.414 17.483 19.000 -0.172 0.000 0.877 644 A HN 0.291 nan 8.150 nan 0.000 0.487 645 S N -1.547 114.190 115.700 0.062 0.000 2.425 645 S HA 0.311 4.789 4.470 0.014 0.000 0.225 645 S C 1.767 176.383 174.600 0.028 0.000 1.024 645 S CA 1.269 59.612 58.200 0.238 0.000 0.951 645 S CB -0.519 62.900 63.200 0.365 0.000 0.796 645 S HN 1.768 nan 8.310 nan 0.000 0.498 646 G N 2.059 110.798 108.800 -0.102 0.000 3.099 646 G HA2 -0.351 3.617 3.960 0.014 0.000 0.331 646 G HA3 -0.351 3.617 3.960 0.014 0.000 0.331 646 G C 0.352 174.927 174.900 -0.542 0.000 1.216 646 G CA 0.757 45.650 45.100 -0.344 0.000 0.977 646 G HN 0.708 nan 8.290 nan 0.000 0.600 647 F N 3.128 122.996 119.950 -0.136 0.000 2.684 647 F HA 0.744 5.279 4.527 0.013 0.000 0.298 647 F C 0.938 176.553 175.800 -0.309 0.000 1.120 647 F CA 0.491 58.373 58.000 -0.198 0.000 1.332 647 F CB 0.818 39.751 39.000 -0.112 0.000 0.986 647 F HN 0.768 nan 8.300 nan 0.000 0.524 648 A N -0.268 122.382 122.820 -0.283 0.000 2.605 648 A HA 0.692 5.021 4.320 0.014 0.000 0.294 648 A C -1.504 175.811 177.584 -0.448 0.000 1.062 648 A CA -0.634 51.168 52.037 -0.392 0.000 0.682 648 A CB 0.708 19.621 19.000 -0.144 0.000 1.278 648 A HN 0.082 nan 8.150 nan 0.000 0.410 649 F N 1.206 121.136 119.950 -0.033 0.000 2.422 649 F HA 0.571 5.107 4.527 0.015 0.000 0.333 649 F C -1.799 173.921 175.800 -0.133 0.000 1.095 649 F CA -1.854 56.096 58.000 -0.084 0.000 1.038 649 F CB 1.068 40.001 39.000 -0.112 0.000 1.156 649 F HN 0.311 nan 8.300 nan 0.000 0.483 650 P HA 0.073 nan 4.420 nan 0.000 0.269 650 P C 0.509 177.759 177.300 -0.084 0.000 1.217 650 P CA -0.312 62.635 63.100 -0.255 0.000 0.783 650 P CB 0.706 31.971 31.700 -0.725 0.000 0.898 651 R N 0.841 121.319 120.500 -0.036 0.000 2.148 651 R HA -0.041 4.307 4.340 0.014 0.000 0.223 651 R C 0.268 176.581 176.300 0.022 0.000 1.088 651 R CA 1.068 57.181 56.100 0.021 0.000 0.985 651 R CB -0.372 29.952 30.300 0.039 0.000 0.880 651 R HN 0.392 nan 8.270 nan 0.000 0.451 652 L N -2.768 118.458 121.223 0.006 0.000 2.309 652 L HA 0.715 5.063 4.340 0.014 0.000 0.261 652 L C -2.695 174.166 176.870 -0.014 0.000 1.021 652 L CA -3.453 51.399 54.840 0.020 0.000 0.823 652 L CB 0.231 42.322 42.059 0.052 0.000 1.366 652 L HN -0.251 nan 8.230 nan 0.000 0.423 653 P HA -0.075 nan 4.420 nan 0.000 0.267 653 P C 0.459 177.767 177.300 0.014 0.000 1.175 653 P CA 0.971 64.060 63.100 -0.017 0.000 0.763 653 P CB 0.431 32.136 31.700 0.009 0.000 0.795 654 A N 5.804 128.630 122.820 0.010 0.000 1.865 654 A HA -0.146 4.183 4.320 0.014 0.000 0.217 654 A C -0.464 177.205 177.584 0.142 0.000 1.191 654 A CA 1.961 54.057 52.037 0.100 0.000 0.623 654 A CB -2.402 16.646 19.000 0.081 0.000 0.826 654 A HN 0.479 nan 8.150 nan 0.000 0.444 655 P HA -0.166 nan 4.420 nan 0.000 0.213 655 P C 1.608 178.947 177.300 0.066 0.000 1.170 655 P CA 0.943 64.085 63.100 0.071 0.000 0.902 655 P CB -0.207 31.515 31.700 0.037 0.000 0.789 656 L N -2.048 119.213 121.223 0.063 0.000 2.079 656 L HA -0.249 4.100 4.340 0.014 0.000 0.210 656 L C 2.610 179.507 176.870 0.044 0.000 1.081 656 L CA 1.661 56.532 54.840 0.052 0.000 0.752 656 L CB -0.858 41.235 42.059 0.057 0.000 0.896 656 L HN 0.100 nan 8.230 nan 0.000 0.433 657 H N -0.148 118.908 119.070 -0.023 0.000 2.357 657 H HA -0.123 4.439 4.556 0.011 0.000 0.301 657 H C 2.206 177.534 175.328 0.000 0.000 1.082 657 H CA 1.535 57.546 56.048 -0.062 0.000 1.342 657 H CB 0.122 29.780 29.762 -0.174 0.000 1.389 657 H HN 0.154 nan 8.280 nan 0.000 0.511 658 L N -0.680 120.656 121.223 0.189 0.000 2.056 658 L HA -0.098 4.250 4.340 0.014 0.000 0.207 658 L C 2.731 179.485 176.870 -0.195 0.000 1.078 658 L CA 0.954 55.891 54.840 0.162 0.000 0.749 658 L CB -0.642 41.598 42.059 0.302 0.000 0.901 658 L HN 0.373 nan 8.230 nan 0.000 0.433 659 A N -0.106 122.635 122.820 -0.133 0.000 1.969 659 A HA -0.262 4.066 4.320 0.014 0.000 0.218 659 A C 1.915 179.373 177.584 -0.209 0.000 1.169 659 A CA 1.962 53.884 52.037 -0.191 0.000 0.635 659 A CB -0.527 18.413 19.000 -0.101 0.000 0.810 659 A HN 0.434 nan 8.150 nan 0.000 0.445 660 D N -0.579 119.718 120.400 -0.172 0.000 2.078 660 D HA -0.167 4.481 4.640 0.014 0.000 0.193 660 D C 2.081 178.251 176.300 -0.217 0.000 0.990 660 D CA 1.416 55.313 54.000 -0.172 0.000 0.827 660 D CB -0.071 40.611 40.800 -0.198 0.000 0.975 660 D HN 0.193 nan 8.370 nan 0.000 0.451 661 R N -0.066 120.278 120.500 -0.259 0.000 2.091 661 R HA -0.030 4.319 4.340 0.014 0.000 0.238 661 R C 2.195 178.275 176.300 -0.366 0.000 1.136 661 R CA 0.843 56.818 56.100 -0.209 0.000 0.959 661 R CB -1.252 29.039 30.300 -0.015 0.000 0.856 661 R HN 0.328 nan 8.270 nan 0.000 0.437 662 L N 0.126 120.870 121.223 -0.798 0.000 1.971 662 L HA -0.159 4.190 4.340 0.014 0.000 0.215 662 L C 1.967 178.582 176.870 -0.426 0.000 1.072 662 L CA 1.773 56.014 54.840 -0.999 0.000 0.758 662 L CB -0.947 40.440 42.059 -1.120 0.000 0.889 662 L HN 0.018 nan 8.230 nan 0.000 0.433 663 V N -0.123 119.621 119.914 -0.283 0.000 2.380 663 V HA -0.348 3.780 4.120 0.014 0.000 0.251 663 V C 2.756 178.800 176.094 -0.084 0.000 1.063 663 V CA 2.264 64.494 62.300 -0.117 0.000 1.055 663 V CB -0.608 31.184 31.823 -0.053 0.000 0.657 663 V HN 0.527 nan 8.190 nan 0.000 0.455 664 K N -0.789 119.548 120.400 -0.105 0.000 2.001 664 K HA -0.129 4.199 4.320 0.014 0.000 0.208 664 K C 2.195 178.778 176.600 -0.028 0.000 1.048 664 K CA 1.309 57.565 56.287 -0.053 0.000 0.932 664 K CB -0.180 32.292 32.500 -0.046 0.000 0.715 664 K HN 0.397 nan 8.250 nan 0.000 0.437 665 E N 0.618 120.803 120.200 -0.024 0.000 2.150 665 E HA -0.113 4.245 4.350 0.014 0.000 0.193 665 E C 2.095 178.701 176.600 0.010 0.000 0.985 665 E CA 0.716 57.142 56.400 0.044 0.000 0.814 665 E CB -0.005 29.769 29.700 0.122 0.000 0.752 665 E HN 0.057 nan 8.360 nan 0.000 0.466 666 V N 0.708 120.573 119.914 -0.081 0.000 2.358 666 V HA -0.150 3.978 4.120 0.014 0.000 0.246 666 V C 2.374 178.287 176.094 -0.301 0.000 1.047 666 V CA 1.940 64.109 62.300 -0.219 0.000 1.035 666 V CB -0.813 30.777 31.823 -0.388 0.000 0.658 666 V HN 0.309 nan 8.190 nan 0.000 0.452 667 G N -0.233 108.466 108.800 -0.170 0.000 2.422 667 G HA2 -0.263 3.705 3.960 0.014 0.000 0.218 667 G HA3 -0.263 3.705 3.960 0.014 0.000 0.218 667 G C 1.693 176.612 174.900 0.032 0.000 1.140 667 G CA 0.794 45.916 45.100 0.035 0.000 0.775 667 G HN 0.481 nan 8.290 nan 0.000 0.545 668 R N 0.165 120.668 120.500 0.006 0.000 2.153 668 R HA 0.083 4.431 4.340 0.014 0.000 0.218 668 R C 1.414 177.746 176.300 0.052 0.000 1.072 668 R CA 1.251 57.360 56.100 0.015 0.000 0.990 668 R CB -0.113 30.207 30.300 0.034 0.000 0.889 668 R HN 0.437 nan 8.270 nan 0.000 0.452 669 L N -3.214 118.047 121.223 0.062 0.000 3.429 669 L HA 0.605 4.954 4.340 0.014 0.000 0.311 669 L C -0.108 176.879 176.870 0.195 0.000 1.274 669 L CA 0.105 55.003 54.840 0.098 0.000 1.037 669 L CB 0.914 42.997 42.059 0.040 0.000 1.433 669 L HN 0.126 nan 8.230 nan 0.000 0.614 670 G N 0.387 109.261 108.800 0.124 0.000 2.907 670 G HA2 -0.177 3.791 3.960 0.014 0.000 0.686 670 G HA3 -0.177 3.791 3.960 0.014 0.000 0.686 670 G C 0.076 174.980 174.900 0.006 0.000 1.115 670 G CA -0.173 44.991 45.100 0.107 0.000 0.760 670 G HN 0.261 nan 8.290 nan 0.000 0.620 671 I N 1.861 122.370 120.570 -0.101 0.000 3.111 671 I HA -0.032 4.147 4.170 0.014 0.000 0.272 671 I C 2.707 178.771 176.117 -0.087 0.000 1.268 671 I CA 1.072 62.291 61.300 -0.135 0.000 1.467 671 I CB -0.192 37.749 38.000 -0.098 0.000 1.087 671 I HN 0.718 nan 8.210 nan 0.000 0.467 672 R N -0.297 120.092 120.500 -0.184 0.000 2.148 672 R HA -0.158 4.190 4.340 0.014 0.000 0.227 672 R C 1.696 177.828 176.300 -0.280 0.000 1.103 672 R CA 1.156 57.105 56.100 -0.252 0.000 0.983 672 R CB -0.809 29.305 30.300 -0.310 0.000 0.874 672 R HN 0.497 nan 8.270 nan 0.000 0.451 673 H N 1.810 120.848 119.070 -0.052 0.000 2.372 673 H HA 0.059 4.624 4.556 0.014 0.000 0.301 673 H C 2.314 177.580 175.328 -0.103 0.000 1.065 673 H CA 1.198 57.200 56.048 -0.077 0.000 1.364 673 H CB -0.139 29.560 29.762 -0.106 0.000 1.406 673 H HN 0.179 nan 8.280 nan 0.000 0.521 674 L N 1.424 122.635 121.223 -0.021 0.000 2.450 674 L HA -0.191 4.157 4.340 0.014 0.000 0.225 674 L C 2.499 179.414 176.870 0.074 0.000 1.145 674 L CA 0.966 55.763 54.840 -0.072 0.000 0.801 674 L CB -0.626 41.394 42.059 -0.065 0.000 0.924 674 L HN 0.138 nan 8.230 nan 0.000 0.447 675 K N 2.266 122.697 120.400 0.052 0.000 2.077 675 K HA -0.246 4.082 4.320 0.014 0.000 0.213 675 K C 1.444 178.083 176.600 0.065 0.000 1.051 675 K CA 2.263 58.586 56.287 0.060 0.000 0.929 675 K CB -0.278 32.237 32.500 0.025 0.000 0.715 675 K HN 0.407 nan 8.250 nan 0.000 0.451 676 E N 0.098 120.326 120.200 0.047 0.000 2.598 676 E HA 0.375 4.733 4.350 0.014 0.000 0.233 676 E C -0.995 175.638 176.600 0.055 0.000 1.173 676 E CA -0.229 56.195 56.400 0.040 0.000 1.473 676 E CB 0.273 29.984 29.700 0.019 0.000 1.398 676 E HN 0.143 nan 8.360 nan 0.000 0.431 677 V N 1.792 121.776 119.914 0.118 0.000 2.483 677 V HA 0.270 4.398 4.120 0.014 0.000 0.297 677 V C -0.892 175.351 176.094 0.249 0.000 1.027 677 V CA -1.346 61.065 62.300 0.186 0.000 0.855 677 V CB 1.797 33.733 31.823 0.189 0.000 0.995 677 V HN 0.484 nan 8.190 nan 0.000 0.424 678 D N 4.114 124.612 120.400 0.163 0.000 2.458 678 D HA 0.104 4.752 4.640 0.014 0.000 0.243 678 D C 1.271 177.617 176.300 0.075 0.000 1.146 678 D CA 0.017 54.057 54.000 0.068 0.000 0.877 678 D CB 0.939 41.765 40.800 0.042 0.000 1.176 678 D HN 0.394 nan 8.370 nan 0.000 0.461 679 R N 2.037 122.376 120.500 -0.269 0.000 2.189 679 R HA -0.130 4.218 4.340 0.014 0.000 0.223 679 R C 1.542 177.644 176.300 -0.329 0.000 1.092 679 R CA 0.563 56.180 56.100 -0.806 0.000 0.989 679 R CB 0.099 29.836 30.300 -0.938 0.000 0.876 679 R HN 0.577 nan 8.270 nan 0.000 0.457 680 E N 1.592 121.729 120.200 -0.104 0.000 2.274 680 E HA -0.070 4.288 4.350 0.014 0.000 0.194 680 E C -0.201 176.451 176.600 0.087 0.000 0.996 680 E CA 0.561 56.946 56.400 -0.024 0.000 0.840 680 E CB 0.274 29.935 29.700 -0.065 0.000 0.772 680 E HN 0.191 nan 8.360 nan 0.000 0.491 681 K N 1.375 121.889 120.400 0.189 0.000 2.349 681 K HA 0.156 4.485 4.320 0.014 0.000 0.289 681 K C -0.257 176.482 176.600 0.231 0.000 1.064 681 K CA -0.118 56.286 56.287 0.196 0.000 0.947 681 K CB 0.824 33.459 32.500 0.225 0.000 1.007 681 K HN 0.114 nan 8.250 nan 0.000 0.478 682 L N 6.071 127.214 121.223 -0.133 0.000 2.423 682 L HA 0.124 4.472 4.340 0.014 0.000 0.249 682 L C 0.881 177.169 176.870 -0.970 0.000 1.276 682 L CA -0.424 53.941 54.840 -0.792 0.000 1.199 682 L CB -0.833 40.763 42.059 -0.771 0.000 1.407 682 L HN 0.708 nan 8.230 nan 0.000 0.410 683 F N -0.483 119.137 119.950 -0.551 0.000 2.449 683 F HA -0.167 4.368 4.527 0.014 0.000 0.299 683 F C 1.593 177.231 175.800 -0.270 0.000 1.092 683 F CA 0.497 58.311 58.000 -0.310 0.000 1.446 683 F CB -0.974 37.926 39.000 -0.167 0.000 1.084 683 F HN 0.263 nan 8.300 nan 0.000 0.567 684 F N 0.571 120.180 119.950 -0.569 0.000 2.619 684 F HA 0.336 4.870 4.527 0.011 0.000 0.293 684 F C 1.186 176.911 175.800 -0.125 0.000 1.119 684 F CA -0.891 56.899 58.000 -0.349 0.000 1.445 684 F CB -1.622 37.050 39.000 -0.547 0.000 1.119 684 F HN -0.048 nan 8.300 nan 0.000 0.573 685 V N 0.000 119.762 119.914 -0.254 0.000 2.409 685 V HA 0.000 4.128 4.120 0.014 0.000 0.244 685 V CA 0.000 62.306 62.300 0.010 0.000 1.235 685 V CB 0.000 31.731 31.823 -0.153 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556