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 1dgb_1_C DATA FIRST_RESID 4 DATA SEQUENCE SRDPASDQMQ HWKEQRAAQK ADVLTTGAGN PVGDKLNVIT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITK YSKAKVFEHI DATA SEQUENCE GKKTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDPILFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMN GYGSHTFKLV NANGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE SQEDPDYGIR DLFNAIATGK YPSWTFYIQV MTFNQAETFP FNPFDLTKVW DATA SEQUENCE PHKDYPLIPV GKLVLNRNPV NYFAEVEQIA FDPSNMPPGI EASPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLHI PVNCPYRARV ANYQRDGPMC MQDNQGGAPN DATA SEQUENCE YYPNSFGAPE QQPSALEHSI QYSGEVRRFN TANDDNVTQV RAFYVNVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQIF IQKKAVKNFT EVHPDYGSHI QALLDKYN 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.615 174.600 0.024 0.000 1.055 4 S CA 0.000 58.212 58.200 0.020 0.000 1.107 4 S CB 0.000 63.220 63.200 0.033 0.000 0.593 5 R N 1.510 122.019 120.500 0.016 0.000 2.542 5 R HA 0.478 4.817 4.340 -0.000 0.000 0.227 5 R C -0.119 176.206 176.300 0.041 0.000 1.257 5 R CA -0.874 55.239 56.100 0.023 0.000 1.053 5 R CB -0.238 30.069 30.300 0.011 0.000 1.463 5 R HN 0.705 nan 8.270 nan 0.000 0.550 6 D N 0.133 120.560 120.400 0.045 0.000 2.400 6 D HA -0.019 4.621 4.640 -0.000 0.000 0.238 6 D C -1.772 174.590 176.300 0.104 0.000 1.157 6 D CA -1.381 52.662 54.000 0.072 0.000 0.889 6 D CB 0.097 40.936 40.800 0.064 0.000 1.199 6 D HN 0.127 nan 8.370 nan 0.000 0.436 7 P HA -0.172 nan 4.420 nan 0.000 0.217 7 P C 1.273 178.744 177.300 0.285 0.000 1.148 7 P CA 2.527 65.793 63.100 0.276 0.000 0.828 7 P CB 0.020 31.898 31.700 0.297 0.000 0.783 8 A N 0.045 123.003 122.820 0.230 0.000 1.902 8 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 8 A C 2.319 179.868 177.584 -0.059 0.000 1.181 8 A CA 2.382 54.434 52.037 0.025 0.000 0.623 8 A CB -1.582 17.404 19.000 -0.023 0.000 0.818 8 A HN 0.355 nan 8.150 nan 0.000 0.443 9 S N -0.786 114.902 115.700 -0.020 0.000 2.522 9 S HA -0.045 4.425 4.470 -0.000 0.000 0.227 9 S C 0.649 175.212 174.600 -0.062 0.000 0.986 9 S CA 1.020 59.193 58.200 -0.045 0.000 0.929 9 S CB -0.178 63.006 63.200 -0.027 0.000 0.769 9 S HN 0.455 nan 8.310 nan 0.000 0.529 10 D N 1.044 121.397 120.400 -0.078 0.000 2.340 10 D HA 0.085 4.725 4.640 -0.000 0.000 0.217 10 D C 1.782 177.956 176.300 -0.211 0.000 1.081 10 D CA 0.002 53.865 54.000 -0.228 0.000 0.842 10 D CB -0.147 40.375 40.800 -0.465 0.000 0.934 10 D HN 0.335 nan 8.370 nan 0.000 0.511 11 Q N 0.730 120.515 119.800 -0.024 0.000 2.012 11 Q HA -0.224 4.116 4.340 -0.000 0.000 0.211 11 Q C 1.909 177.981 176.000 0.120 0.000 1.009 11 Q CA 1.510 57.368 55.803 0.091 0.000 0.866 11 Q CB -0.185 28.559 28.738 0.009 0.000 0.945 11 Q HN 0.330 nan 8.270 nan 0.000 0.414 12 M N -0.016 119.609 119.600 0.041 0.000 2.080 12 M HA -0.240 4.240 4.480 -0.000 0.000 0.260 12 M C 2.310 178.708 176.300 0.164 0.000 1.068 12 M CA 2.025 57.373 55.300 0.081 0.000 1.109 12 M CB -0.499 32.100 32.600 -0.002 0.000 1.342 12 M HN 0.194 nan 8.290 nan 0.000 0.405 13 Q N 0.343 120.172 119.800 0.048 0.000 2.045 13 Q HA -0.221 4.118 4.340 -0.000 0.000 0.206 13 Q C 1.847 177.926 176.000 0.130 0.000 0.991 13 Q CA 2.031 57.856 55.803 0.037 0.000 0.851 13 Q CB -0.489 28.197 28.738 -0.086 0.000 0.911 13 Q HN 0.511 nan 8.270 nan 0.000 0.418 14 H N -1.572 117.588 119.070 0.150 0.000 2.319 14 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 14 H C 1.609 177.036 175.328 0.165 0.000 1.092 14 H CA 1.500 57.632 56.048 0.140 0.000 1.302 14 H CB -0.997 28.857 29.762 0.152 0.000 1.373 14 H HN 0.489 nan 8.280 nan 0.000 0.497 15 W N 2.271 123.674 121.300 0.171 0.000 2.335 15 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 15 W C 2.756 179.317 176.519 0.071 0.000 1.213 15 W CA 2.278 59.686 57.345 0.104 0.000 1.274 15 W CB -0.056 29.452 29.460 0.081 0.000 1.148 15 W HN 0.094 nan 8.180 nan 0.000 0.498 16 K N 0.447 121.076 120.400 0.382 0.000 2.032 16 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 16 K C 1.838 178.451 176.600 0.023 0.000 1.048 16 K CA 2.148 58.559 56.287 0.206 0.000 0.927 16 K CB -0.462 32.167 32.500 0.216 0.000 0.712 16 K HN 0.210 nan 8.250 nan 0.000 0.441 17 E N 0.361 120.601 120.200 0.067 0.000 2.153 17 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 17 E C 2.149 178.728 176.600 -0.035 0.000 0.988 17 E CA 1.112 57.533 56.400 0.035 0.000 0.811 17 E CB 0.044 29.801 29.700 0.096 0.000 0.746 17 E HN 0.423 nan 8.360 nan 0.000 0.466 18 Q N 0.081 119.830 119.800 -0.084 0.000 2.364 18 Q HA -0.051 4.289 4.340 -0.000 0.000 0.207 18 Q C 0.938 176.807 176.000 -0.219 0.000 0.970 18 Q CA 0.679 56.391 55.803 -0.152 0.000 0.888 18 Q CB 0.197 28.820 28.738 -0.191 0.000 0.951 18 Q HN 0.060 nan 8.270 nan 0.000 0.469 19 R N -0.519 119.815 120.500 -0.276 0.000 2.935 19 R HA 0.285 4.625 4.340 -0.000 0.000 0.354 19 R C 0.901 177.116 176.300 -0.142 0.000 1.206 19 R CA -0.077 55.865 56.100 -0.263 0.000 1.082 19 R CB 0.496 30.542 30.300 -0.424 0.000 1.431 19 R HN 0.111 nan 8.270 nan 0.000 0.582 20 A N 1.349 124.112 122.820 -0.095 0.000 1.848 20 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 20 A C 1.827 179.385 177.584 -0.043 0.000 1.220 20 A CA 1.968 53.975 52.037 -0.051 0.000 0.645 20 A CB -0.545 18.434 19.000 -0.035 0.000 0.842 20 A HN 0.427 nan 8.150 nan 0.000 0.451 21 A N -1.309 121.484 122.820 -0.044 0.000 2.324 21 A HA 0.307 4.627 4.320 -0.000 0.000 0.240 21 A C 0.600 178.160 177.584 -0.041 0.000 1.347 21 A CA 0.103 52.119 52.037 -0.035 0.000 1.036 21 A CB -0.315 18.667 19.000 -0.031 0.000 0.917 21 A HN 0.435 nan 8.150 nan 0.000 0.519 22 Q N 0.341 120.110 119.800 -0.052 0.000 2.312 22 Q HA 0.369 4.709 4.340 -0.000 0.000 0.263 22 Q C -0.610 175.369 176.000 -0.034 0.000 0.995 22 Q CA -0.523 55.248 55.803 -0.053 0.000 0.853 22 Q CB 1.859 30.545 28.738 -0.087 0.000 1.300 22 Q HN 0.395 nan 8.270 nan 0.000 0.448 23 K N 0.664 121.051 120.400 -0.022 0.000 2.270 23 K HA 0.450 4.770 4.320 -0.000 0.000 0.276 23 K C -0.598 176.003 176.600 0.001 0.000 1.023 23 K CA -0.037 56.246 56.287 -0.007 0.000 0.955 23 K CB 0.770 33.267 32.500 -0.005 0.000 0.975 23 K HN 0.659 nan 8.250 nan 0.000 0.471 24 A N 3.701 126.533 122.820 0.019 0.000 2.407 24 A HA 0.132 4.452 4.320 -0.000 0.000 0.248 24 A C -0.501 177.106 177.584 0.038 0.000 1.082 24 A CA -0.387 51.676 52.037 0.042 0.000 0.785 24 A CB 0.096 19.132 19.000 0.059 0.000 1.020 24 A HN 0.845 nan 8.150 nan 0.000 0.489 25 D N 0.585 121.017 120.400 0.053 0.000 2.382 25 D HA 0.224 4.864 4.640 -0.000 0.000 0.240 25 D C 0.075 176.396 176.300 0.034 0.000 1.146 25 D CA 0.142 54.167 54.000 0.042 0.000 0.897 25 D CB 0.921 41.754 40.800 0.055 0.000 1.197 25 D HN 0.206 nan 8.370 nan 0.000 0.432 26 V N 2.305 122.233 119.914 0.023 0.000 2.572 26 V HA -0.037 4.082 4.120 -0.000 0.000 0.291 26 V C 0.509 176.612 176.094 0.015 0.000 1.039 26 V CA -0.558 61.752 62.300 0.017 0.000 1.055 26 V CB 0.978 32.808 31.823 0.011 0.000 0.969 26 V HN 0.309 nan 8.190 nan 0.000 0.482 27 L N 6.845 128.076 121.223 0.013 0.000 2.410 27 L HA 0.513 4.853 4.340 -0.000 0.000 0.273 27 L C 0.464 177.335 176.870 0.002 0.000 1.144 27 L CA 0.871 55.715 54.840 0.007 0.000 0.863 27 L CB 0.679 42.741 42.059 0.005 0.000 1.140 27 L HN 0.997 nan 8.230 nan 0.000 0.463 28 T N 0.564 115.116 114.554 -0.004 0.000 2.864 28 T HA 0.728 5.078 4.350 -0.000 0.000 0.289 28 T C 0.135 174.828 174.700 -0.013 0.000 1.082 28 T CA -0.161 61.936 62.100 -0.005 0.000 1.009 28 T CB 1.161 70.027 68.868 -0.003 0.000 1.234 28 T HN 0.771 nan 8.240 nan 0.000 0.526 29 T N -1.790 112.759 114.554 -0.009 0.000 2.788 29 T HA 0.492 4.842 4.350 -0.000 0.000 0.280 29 T C 1.800 176.489 174.700 -0.018 0.000 0.984 29 T CA -0.130 61.963 62.100 -0.012 0.000 0.972 29 T CB 0.214 69.082 68.868 -0.001 0.000 1.039 29 T HN 1.004 nan 8.240 nan 0.000 0.530 30 G N -0.492 108.296 108.800 -0.020 0.000 2.501 30 G HA2 0.099 4.058 3.960 -0.000 0.000 0.220 30 G HA3 0.099 4.058 3.960 -0.000 0.000 0.220 30 G C 1.250 176.146 174.900 -0.006 0.000 1.114 30 G CA 0.412 45.499 45.100 -0.021 0.000 0.757 30 G HN 1.098 nan 8.290 nan 0.000 0.559 31 A N -0.566 122.254 122.820 -0.001 0.000 2.345 31 A HA 0.522 4.842 4.320 -0.000 0.000 0.225 31 A C 1.887 179.472 177.584 0.001 0.000 1.243 31 A CA 1.036 53.075 52.037 0.003 0.000 0.875 31 A CB -0.303 18.701 19.000 0.007 0.000 0.929 31 A HN 1.461 nan 8.150 nan 0.000 0.502 32 G N -0.143 108.655 108.800 -0.002 0.000 2.162 32 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.260 32 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.260 32 G C -0.090 174.810 174.900 0.001 0.000 0.976 32 G CA 0.214 45.313 45.100 -0.001 0.000 0.655 32 G HN 0.666 nan 8.290 nan 0.000 0.533 33 N N 1.832 120.534 118.700 0.002 0.000 2.497 33 N HA 0.473 5.213 4.740 -0.000 0.000 0.271 33 N C -2.626 172.887 175.510 0.004 0.000 1.142 33 N CA -1.308 51.744 53.050 0.005 0.000 0.965 33 N CB 1.070 39.562 38.487 0.007 0.000 1.077 33 N HN 0.104 nan 8.380 nan 0.000 0.462 34 P HA 0.022 nan 4.420 nan 0.000 0.268 34 P C -0.792 176.512 177.300 0.007 0.000 1.205 34 P CA -0.087 63.017 63.100 0.006 0.000 0.771 34 P CB 0.752 32.455 31.700 0.006 0.000 0.858 35 V N 3.085 123.004 119.914 0.008 0.000 2.435 35 V HA 0.373 4.493 4.120 -0.000 0.000 0.290 35 V C 1.487 177.587 176.094 0.010 0.000 1.030 35 V CA 0.254 62.560 62.300 0.010 0.000 0.881 35 V CB 1.118 32.947 31.823 0.010 0.000 0.983 35 V HN 0.783 nan 8.190 nan 0.000 0.445 36 G N 2.585 111.391 108.800 0.011 0.000 2.426 36 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.214 36 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.214 36 G C 0.181 175.086 174.900 0.009 0.000 1.156 36 G CA 0.678 45.784 45.100 0.009 0.000 0.802 36 G HN 0.687 nan 8.290 nan 0.000 0.534 37 D N -1.252 119.154 120.400 0.011 0.000 2.365 37 D HA 0.168 4.808 4.640 -0.000 0.000 0.235 37 D C 0.031 176.341 176.300 0.016 0.000 1.368 37 D CA -0.531 53.475 54.000 0.010 0.000 1.001 37 D CB 0.928 41.732 40.800 0.007 0.000 1.364 37 D HN -0.020 nan 8.370 nan 0.000 0.577 38 K N 3.305 123.713 120.400 0.014 0.000 2.520 38 K HA 0.250 4.570 4.320 -0.000 0.000 0.205 38 K C 0.717 177.327 176.600 0.017 0.000 1.035 38 K CA 0.004 56.303 56.287 0.020 0.000 1.188 38 K CB 0.297 32.803 32.500 0.009 0.000 0.894 38 K HN 0.502 nan 8.250 nan 0.000 0.497 39 L N -0.186 121.044 121.223 0.011 0.000 2.664 39 L HA 0.197 4.537 4.340 -0.000 0.000 0.233 39 L C -0.648 176.224 176.870 0.003 0.000 1.113 39 L CA 0.010 54.853 54.840 0.005 0.000 0.896 39 L CB 0.305 42.364 42.059 -0.001 0.000 1.163 39 L HN 0.067 nan 8.230 nan 0.000 0.497 40 N N -1.550 117.153 118.700 0.005 0.000 2.308 40 N HA 0.362 5.102 4.740 -0.000 0.000 0.283 40 N C -1.138 174.364 175.510 -0.012 0.000 1.105 40 N CA -0.374 52.670 53.050 -0.010 0.000 0.840 40 N CB 3.147 41.626 38.487 -0.015 0.000 1.633 40 N HN -0.295 nan 8.380 nan 0.000 0.476 41 V N 1.825 121.709 119.914 -0.050 0.000 3.036 41 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 41 V C -0.175 175.870 176.094 -0.082 0.000 1.070 41 V CA -0.605 61.638 62.300 -0.095 0.000 1.056 41 V CB 1.063 32.736 31.823 -0.249 0.000 1.084 41 V HN 0.544 nan 8.190 nan 0.000 0.471 42 I N 4.245 124.768 120.570 -0.078 0.000 2.322 42 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 42 I C 0.396 176.471 176.117 -0.070 0.000 1.060 42 I CA 0.122 61.389 61.300 -0.054 0.000 1.309 42 I CB 0.847 38.830 38.000 -0.028 0.000 1.415 42 I HN 0.746 nan 8.210 nan 0.000 0.492 43 T N 2.532 117.051 114.554 -0.058 0.000 2.924 43 T HA 0.383 4.732 4.350 -0.000 0.000 0.291 43 T C -0.313 174.365 174.700 -0.037 0.000 1.045 43 T CA -0.800 61.267 62.100 -0.055 0.000 1.015 43 T CB 2.221 71.054 68.868 -0.058 0.000 1.103 43 T HN 0.214 nan 8.240 nan 0.000 0.496 44 V N 2.440 122.335 119.914 -0.033 0.000 2.313 44 V HA 0.585 4.705 4.120 -0.000 0.000 0.252 44 V C 0.676 176.756 176.094 -0.022 0.000 1.112 44 V CA 1.247 63.533 62.300 -0.023 0.000 0.984 44 V CB -1.028 30.783 31.823 -0.020 0.000 1.157 44 V HN 1.711 nan 8.190 nan 0.000 0.493 45 G N 6.741 115.528 108.800 -0.021 0.000 2.712 45 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 45 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 45 G C -1.763 173.123 174.900 -0.023 0.000 1.321 45 G CA -0.350 44.738 45.100 -0.019 0.000 0.813 45 G HN 0.542 nan 8.290 nan 0.000 0.599 46 P HA -0.122 nan 4.420 nan 0.000 0.216 46 P C 1.362 178.647 177.300 -0.025 0.000 1.157 46 P CA 1.686 64.773 63.100 -0.022 0.000 0.880 46 P CB 0.013 31.703 31.700 -0.017 0.000 0.791 47 R N -0.860 119.626 120.500 -0.023 0.000 2.791 47 R HA 0.387 4.726 4.340 -0.000 0.000 0.357 47 R C 0.702 176.987 176.300 -0.025 0.000 1.173 47 R CA -0.274 55.811 56.100 -0.024 0.000 1.060 47 R CB 0.633 30.922 30.300 -0.019 0.000 1.406 47 R HN 0.140 nan 8.270 nan 0.000 0.580 48 G N 1.401 110.184 108.800 -0.029 0.000 2.491 48 G HA2 0.485 4.444 3.960 -0.000 0.000 0.327 48 G HA3 0.485 4.444 3.960 -0.000 0.000 0.327 48 G C -2.618 172.259 174.900 -0.039 0.000 1.189 48 G CA -1.393 43.690 45.100 -0.029 0.000 0.956 48 G HN -0.117 nan 8.290 nan 0.000 0.491 49 P HA 0.201 nan 4.420 nan 0.000 0.272 49 P C -0.178 177.086 177.300 -0.060 0.000 1.240 49 P CA -0.598 62.475 63.100 -0.046 0.000 0.791 49 P CB 0.641 32.321 31.700 -0.033 0.000 0.978 50 L N 1.867 123.041 121.223 -0.081 0.000 2.417 50 L HA 0.274 4.614 4.340 -0.000 0.000 0.268 50 L C -0.946 175.880 176.870 -0.074 0.000 1.158 50 L CA 0.103 54.876 54.840 -0.112 0.000 0.819 50 L CB -0.311 41.640 42.059 -0.179 0.000 1.112 50 L HN 0.111 nan 8.230 nan 0.000 0.458 51 L N 4.335 125.517 121.223 -0.068 0.000 2.325 51 L HA 0.363 4.703 4.340 -0.000 0.000 0.278 51 L C 1.035 177.901 176.870 -0.006 0.000 1.023 51 L CA -0.196 54.627 54.840 -0.030 0.000 0.811 51 L CB 1.733 43.780 42.059 -0.021 0.000 1.249 51 L HN 0.507 nan 8.230 nan 0.000 0.431 52 V N 1.318 121.240 119.914 0.014 0.000 2.490 52 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 52 V C 2.074 178.197 176.094 0.047 0.000 1.061 52 V CA 1.698 64.022 62.300 0.040 0.000 1.064 52 V CB -0.537 31.306 31.823 0.033 0.000 0.670 52 V HN 0.884 nan 8.190 nan 0.000 0.461 53 Q N -0.550 119.268 119.800 0.030 0.000 2.308 53 Q HA -0.211 4.129 4.340 -0.000 0.000 0.209 53 Q C 1.059 177.086 176.000 0.045 0.000 0.985 53 Q CA 1.102 56.924 55.803 0.031 0.000 0.881 53 Q CB -0.223 28.525 28.738 0.018 0.000 0.917 53 Q HN 0.519 nan 8.270 nan 0.000 0.443 54 D N 0.601 121.035 120.400 0.056 0.000 2.541 54 D HA -0.015 4.625 4.640 -0.000 0.000 0.231 54 D C 1.020 177.407 176.300 0.146 0.000 1.163 54 D CA -0.109 53.944 54.000 0.088 0.000 1.077 54 D CB 0.577 41.418 40.800 0.068 0.000 1.110 54 D HN 0.073 nan 8.370 nan 0.000 0.499 55 V N 1.033 121.006 119.914 0.097 0.000 2.809 55 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 55 V C 2.086 178.225 176.094 0.075 0.000 1.080 55 V CA 0.608 62.958 62.300 0.083 0.000 1.102 55 V CB -0.490 31.363 31.823 0.051 0.000 0.705 55 V HN 0.235 nan 8.190 nan 0.000 0.475 56 V N 0.361 120.327 119.914 0.086 0.000 2.295 56 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 56 V C 2.312 178.452 176.094 0.076 0.000 1.049 56 V CA 2.734 65.074 62.300 0.067 0.000 1.024 56 V CB -0.923 30.943 31.823 0.071 0.000 0.648 56 V HN 0.639 nan 8.190 nan 0.000 0.447 57 F N 1.439 121.389 119.950 0.000 0.000 2.051 57 F HA -0.214 4.313 4.527 -0.000 0.000 0.296 57 F C 2.483 178.290 175.800 0.012 0.000 1.122 57 F CA 2.467 60.466 58.000 -0.002 0.000 1.201 57 F CB -0.885 38.111 39.000 -0.005 0.000 0.978 57 F HN 0.109 nan 8.300 nan 0.000 0.472 58 T N -0.044 114.465 114.554 -0.076 0.000 2.635 58 T HA -0.303 4.047 4.350 -0.000 0.000 0.267 58 T C 1.514 176.118 174.700 -0.159 0.000 1.040 58 T CA 1.978 63.986 62.100 -0.153 0.000 1.156 58 T CB -0.753 68.150 68.868 0.059 0.000 0.863 58 T HN 0.495 nan 8.240 nan 0.000 0.430 59 D N 0.594 120.955 120.400 -0.065 0.000 2.133 59 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 59 D C 2.148 178.420 176.300 -0.047 0.000 0.997 59 D CA 1.680 55.660 54.000 -0.033 0.000 0.840 59 D CB -0.100 40.695 40.800 -0.007 0.000 0.947 59 D HN 0.594 nan 8.370 nan 0.000 0.452 60 E N -1.204 118.933 120.200 -0.107 0.000 2.046 60 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 60 E C 2.009 178.548 176.600 -0.100 0.000 0.982 60 E CA 0.736 57.080 56.400 -0.094 0.000 0.800 60 E CB -0.152 29.477 29.700 -0.119 0.000 0.756 60 E HN 0.238 nan 8.360 nan 0.000 0.449 61 M N 1.094 120.508 119.600 -0.310 0.000 2.086 61 M HA -0.076 4.404 4.480 -0.000 0.000 0.261 61 M C 2.078 178.352 176.300 -0.042 0.000 1.067 61 M CA 1.981 57.123 55.300 -0.262 0.000 1.116 61 M CB -0.541 31.660 32.600 -0.665 0.000 1.348 61 M HN 0.200 nan 8.290 nan 0.000 0.407 62 A N -1.202 121.570 122.820 -0.080 0.000 1.940 62 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 62 A C 2.328 179.901 177.584 -0.017 0.000 1.176 62 A CA 2.078 54.095 52.037 -0.033 0.000 0.631 62 A CB -1.289 17.693 19.000 -0.030 0.000 0.814 62 A HN 0.756 nan 8.150 nan 0.000 0.446 63 H N -1.907 117.147 119.070 -0.028 0.000 2.363 63 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 63 H C 1.908 177.231 175.328 -0.008 0.000 1.074 63 H CA 1.803 57.837 56.048 -0.024 0.000 1.354 63 H CB -0.366 29.381 29.762 -0.025 0.000 1.397 63 H HN 0.494 nan 8.280 nan 0.000 0.516 64 F N 2.297 122.258 119.950 0.018 0.000 2.126 64 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 64 F C 1.682 177.437 175.800 -0.074 0.000 1.096 64 F CA 1.690 59.676 58.000 -0.022 0.000 1.255 64 F CB -0.337 38.635 39.000 -0.047 0.000 0.997 64 F HN 0.068 nan 8.300 nan 0.000 0.479 65 D N 0.188 120.526 120.400 -0.104 0.000 2.384 65 D HA -0.081 4.558 4.640 -0.000 0.000 0.222 65 D C 1.345 177.501 176.300 -0.240 0.000 0.976 65 D CA 0.878 54.761 54.000 -0.195 0.000 0.915 65 D CB -0.221 40.546 40.800 -0.054 0.000 0.896 65 D HN 0.432 nan 8.370 nan 0.000 0.523 66 R N -0.041 120.290 120.500 -0.282 0.000 2.629 66 R HA 0.124 4.464 4.340 -0.000 0.000 0.408 66 R C 0.852 176.960 176.300 -0.321 0.000 1.057 66 R CA -0.024 55.906 56.100 -0.284 0.000 1.119 66 R CB 0.525 30.650 30.300 -0.292 0.000 1.403 66 R HN 0.229 nan 8.270 nan 0.000 0.576 67 E N 0.458 120.463 120.200 -0.325 0.000 2.435 67 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 67 E C 0.184 176.672 176.600 -0.186 0.000 1.029 67 E CA 0.274 56.504 56.400 -0.283 0.000 0.865 67 E CB 0.267 29.818 29.700 -0.248 0.000 0.833 67 E HN -0.024 nan 8.360 nan 0.000 0.510 68 R N 1.882 122.302 120.500 -0.133 0.000 2.368 68 R HA 0.467 4.807 4.340 -0.000 0.000 0.302 68 R C 0.370 176.680 176.300 0.017 0.000 1.002 68 R CA -0.496 55.591 56.100 -0.022 0.000 0.929 68 R CB 1.181 31.448 30.300 -0.056 0.000 1.073 68 R HN 0.214 nan 8.270 nan 0.000 0.464 69 I N -0.906 119.718 120.570 0.089 0.000 2.957 69 I HA 0.618 4.788 4.170 -0.000 0.000 0.310 69 I C -2.244 173.879 176.117 0.010 0.000 1.063 69 I CA -3.005 58.318 61.300 0.038 0.000 1.033 69 I CB 1.723 39.764 38.000 0.068 0.000 1.230 69 I HN 0.232 nan 8.210 nan 0.000 0.447 70 P HA 0.112 nan 4.420 nan 0.000 0.268 70 P C -0.962 176.341 177.300 0.005 0.000 1.204 70 P CA -0.099 62.989 63.100 -0.020 0.000 0.768 70 P CB 0.434 32.094 31.700 -0.067 0.000 0.842 71 E N 2.520 122.740 120.200 0.033 0.000 2.371 71 E HA 0.205 4.555 4.350 -0.000 0.000 0.257 71 E C -0.504 176.124 176.600 0.046 0.000 1.134 71 E CA -0.900 55.527 56.400 0.045 0.000 0.919 71 E CB 0.607 30.342 29.700 0.059 0.000 1.025 71 E HN 0.245 nan 8.360 nan 0.000 0.438 72 R N 0.924 121.456 120.500 0.054 0.000 2.504 72 R HA -0.062 4.278 4.340 -0.000 0.000 0.291 72 R C 1.085 177.423 176.300 0.063 0.000 0.974 72 R CA 0.133 56.268 56.100 0.059 0.000 1.077 72 R CB 0.519 30.874 30.300 0.092 0.000 0.926 72 R HN 0.562 nan 8.270 nan 0.000 0.407 73 V N 4.423 124.364 119.914 0.045 0.000 2.546 73 V HA -0.149 3.970 4.120 -0.000 0.000 0.254 73 V C 0.586 176.718 176.094 0.063 0.000 1.076 73 V CA 1.963 64.291 62.300 0.046 0.000 1.087 73 V CB 0.049 31.890 31.823 0.030 0.000 0.674 73 V HN 0.546 nan 8.190 nan 0.000 0.470 74 V N -4.641 115.343 119.914 0.118 0.000 3.147 74 V HA 0.569 4.689 4.120 -0.000 0.000 0.306 74 V C 0.094 176.375 176.094 0.311 0.000 1.209 74 V CA -0.582 61.827 62.300 0.182 0.000 1.023 74 V CB 1.518 33.523 31.823 0.304 0.000 1.059 74 V HN 0.454 nan 8.190 nan 0.000 0.435 75 H N 0.507 119.627 119.070 0.084 0.000 2.839 75 H HA -0.227 4.329 4.556 -0.000 0.000 0.298 75 H C 1.518 176.895 175.328 0.080 0.000 1.224 75 H CA 0.710 56.815 56.048 0.095 0.000 1.144 75 H CB -1.129 28.698 29.762 0.109 0.000 1.372 75 H HN 1.261 nan 8.280 nan 0.000 0.408 76 A N 0.799 123.706 122.820 0.145 0.000 1.851 76 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 76 A C 1.542 179.204 177.584 0.130 0.000 1.195 76 A CA 1.658 53.765 52.037 0.116 0.000 0.622 76 A CB -0.087 18.959 19.000 0.075 0.000 0.831 76 A HN 0.245 nan 8.150 nan 0.000 0.444 77 K N 0.317 120.787 120.400 0.117 0.000 2.349 77 K HA 0.468 4.787 4.320 -0.000 0.000 0.288 77 K C 0.034 176.737 176.600 0.172 0.000 1.058 77 K CA 0.855 57.222 56.287 0.134 0.000 0.953 77 K CB 0.183 32.744 32.500 0.102 0.000 0.997 77 K HN 0.474 nan 8.250 nan 0.000 0.477 78 G N 1.261 110.189 108.800 0.214 0.000 2.606 78 G HA2 0.749 4.709 3.960 -0.000 0.000 0.300 78 G HA3 0.749 4.709 3.960 -0.000 0.000 0.300 78 G C -1.749 173.332 174.900 0.301 0.000 1.360 78 G CA -0.362 44.870 45.100 0.220 0.000 0.783 78 G HN 0.737 nan 8.290 nan 0.000 0.484 79 A N -1.691 121.269 122.820 0.235 0.000 2.527 79 A HA 1.020 5.339 4.320 -0.000 0.000 0.293 79 A C -0.097 177.577 177.584 0.151 0.000 1.117 79 A CA -0.070 52.156 52.037 0.314 0.000 0.723 79 A CB 1.853 21.067 19.000 0.358 0.000 1.313 79 A HN 2.165 nan 8.150 nan 0.000 0.411 80 G N -1.335 107.557 108.800 0.153 0.000 2.660 80 G HA2 0.884 4.844 3.960 -0.000 0.000 0.294 80 G HA3 0.884 4.844 3.960 -0.000 0.000 0.294 80 G C -0.820 174.050 174.900 -0.051 0.000 1.369 80 G CA 0.118 45.175 45.100 -0.070 0.000 0.912 80 G HN 2.030 nan 8.290 nan 0.000 0.479 81 A N -0.356 122.277 122.820 -0.311 0.000 2.599 81 A HA 0.890 5.210 4.320 -0.000 0.000 0.290 81 A C -1.936 175.300 177.584 -0.582 0.000 1.101 81 A CA -0.717 51.195 52.037 -0.208 0.000 0.674 81 A CB 1.070 20.108 19.000 0.065 0.000 1.277 81 A HN 0.803 nan 8.150 nan 0.000 0.419 82 F N -0.650 119.332 119.950 0.053 0.000 2.611 82 F HA 0.883 5.410 4.527 -0.000 0.000 0.324 82 F C 0.973 176.799 175.800 0.042 0.000 1.061 82 F CA 0.460 58.486 58.000 0.043 0.000 0.954 82 F CB 2.491 41.519 39.000 0.048 0.000 1.301 82 F HN 1.197 nan 8.300 nan 0.000 0.482 83 G N 0.025 108.974 108.800 0.249 0.000 2.586 83 G HA2 0.422 4.382 3.960 -0.000 0.000 0.105 83 G HA3 0.422 4.382 3.960 -0.000 0.000 0.105 83 G C -2.067 172.997 174.900 0.273 0.000 1.129 83 G CA -0.173 45.044 45.100 0.194 0.000 1.127 83 G HN 0.901 nan 8.290 nan 0.000 0.532 84 Y N -1.646 118.693 120.300 0.066 0.000 2.670 84 Y HA 0.817 5.367 4.550 -0.000 0.000 0.334 84 Y C -1.707 174.264 175.900 0.118 0.000 1.185 84 Y CA -1.937 56.213 58.100 0.083 0.000 1.053 84 Y CB 1.611 40.109 38.460 0.064 0.000 1.298 84 Y HN 0.827 nan 8.280 nan 0.000 0.459 85 F N 1.910 121.947 119.950 0.146 0.000 2.469 85 F HA 0.654 5.181 4.527 -0.000 0.000 0.332 85 F C -0.819 175.132 175.800 0.251 0.000 1.103 85 F CA -0.779 57.270 58.000 0.082 0.000 0.979 85 F CB 1.791 40.881 39.000 0.150 0.000 1.137 85 F HN 0.756 nan 8.300 nan 0.000 0.463 86 E N 5.055 124.826 120.200 -0.716 0.000 2.256 86 E HA 0.479 4.829 4.350 -0.000 0.000 0.268 86 E C -1.660 174.488 176.600 -0.753 0.000 0.877 86 E CA -0.919 55.197 56.400 -0.474 0.000 0.757 86 E CB 2.070 31.778 29.700 0.012 0.000 1.183 86 E HN 0.547 nan 8.360 nan 0.000 0.418 87 V N 4.055 123.698 119.914 -0.453 0.000 2.508 87 V HA 0.067 4.187 4.120 -0.000 0.000 0.281 87 V C 1.254 177.326 176.094 -0.038 0.000 1.041 87 V CA 0.713 62.917 62.300 -0.159 0.000 1.016 87 V CB 0.876 32.747 31.823 0.080 0.000 0.984 87 V HN 0.949 nan 8.190 nan 0.000 0.478 88 T N 0.544 115.133 114.554 0.057 0.000 2.969 88 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 88 T C 0.406 175.038 174.700 -0.112 0.000 1.021 88 T CA 0.157 62.279 62.100 0.037 0.000 1.003 88 T CB 0.113 69.082 68.868 0.169 0.000 1.040 88 T HN 0.651 nan 8.240 nan 0.000 0.492 89 H N 0.453 119.570 119.070 0.079 0.000 2.821 89 H HA 0.617 5.173 4.556 -0.000 0.000 0.373 89 H C -1.423 173.961 175.328 0.093 0.000 1.165 89 H CA -1.037 55.063 56.048 0.086 0.000 1.154 89 H CB 1.387 31.206 29.762 0.095 0.000 1.765 89 H HN 0.009 nan 8.280 nan 0.000 0.549 90 D N 2.243 122.750 120.400 0.180 0.000 2.316 90 D HA 0.099 4.738 4.640 -0.000 0.000 0.245 90 D C 0.439 176.801 176.300 0.103 0.000 1.171 90 D CA -0.152 53.916 54.000 0.114 0.000 0.856 90 D CB 0.496 41.337 40.800 0.069 0.000 1.090 90 D HN 0.663 nan 8.370 nan 0.000 0.476 91 I N 0.938 121.549 120.570 0.067 0.000 3.817 91 I HA 0.133 4.303 4.170 -0.000 0.000 0.325 91 I C 1.294 177.410 176.117 -0.001 0.000 1.550 91 I CA -0.484 60.855 61.300 0.066 0.000 1.100 91 I CB 0.240 38.272 38.000 0.053 0.000 1.216 91 I HN 0.140 nan 8.210 nan 0.000 0.481 92 T N -0.799 113.740 114.554 -0.024 0.000 2.977 92 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 92 T C 1.572 176.213 174.700 -0.098 0.000 1.105 92 T CA 1.509 63.589 62.100 -0.034 0.000 1.116 92 T CB -0.455 68.390 68.868 -0.039 0.000 0.878 92 T HN 0.718 nan 8.240 nan 0.000 0.509 93 K N -0.327 119.939 120.400 -0.225 0.000 2.486 93 K HA 0.048 4.368 4.320 -0.000 0.000 0.194 93 K C 1.143 177.488 176.600 -0.425 0.000 1.033 93 K CA 0.654 56.724 56.287 -0.363 0.000 1.004 93 K CB -0.289 31.902 32.500 -0.516 0.000 0.798 93 K HN 0.517 nan 8.250 nan 0.000 0.495 94 Y N 0.005 120.273 120.300 -0.053 0.000 2.664 94 Y HA 0.191 4.741 4.550 -0.000 0.000 0.278 94 Y C 0.909 176.770 175.900 -0.064 0.000 1.130 94 Y CA -0.650 57.409 58.100 -0.068 0.000 1.260 94 Y CB 1.176 39.597 38.460 -0.065 0.000 1.369 94 Y HN 0.000 nan 8.280 nan 0.000 0.499 95 S N 0.565 116.331 115.700 0.110 0.000 2.538 95 S HA 0.272 4.741 4.470 -0.000 0.000 0.288 95 S C 0.030 174.684 174.600 0.090 0.000 1.108 95 S CA -0.857 57.399 58.200 0.094 0.000 0.971 95 S CB 1.199 64.491 63.200 0.153 0.000 1.041 95 S HN 0.380 nan 8.310 nan 0.000 0.483 96 K N 2.725 123.155 120.400 0.049 0.000 2.404 96 K HA 0.455 4.775 4.320 -0.000 0.000 0.194 96 K C 0.584 177.188 176.600 0.007 0.000 1.023 96 K CA -0.011 56.287 56.287 0.018 0.000 1.094 96 K CB 0.060 32.554 32.500 -0.010 0.000 0.841 96 K HN 0.523 nan 8.250 nan 0.000 0.523 97 A N 2.380 125.217 122.820 0.028 0.000 2.561 97 A HA -0.011 4.308 4.320 -0.000 0.000 0.251 97 A C 0.720 178.211 177.584 -0.154 0.000 1.062 97 A CA -0.009 51.948 52.037 -0.132 0.000 0.761 97 A CB 0.174 18.982 19.000 -0.320 0.000 0.986 97 A HN 0.396 nan 8.150 nan 0.000 0.510 98 K N 2.107 122.403 120.400 -0.174 0.000 2.160 98 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 98 K C 1.640 178.150 176.600 -0.149 0.000 1.047 98 K CA 1.476 57.688 56.287 -0.126 0.000 0.930 98 K CB -0.234 32.206 32.500 -0.100 0.000 0.720 98 K HN 0.603 nan 8.250 nan 0.000 0.450 99 V N 0.660 120.371 119.914 -0.337 0.000 3.026 99 V HA -0.182 3.938 4.120 -0.000 0.000 0.265 99 V C 0.884 176.847 176.094 -0.219 0.000 1.121 99 V CA 1.577 63.662 62.300 -0.358 0.000 1.142 99 V CB -0.328 31.085 31.823 -0.683 0.000 0.730 99 V HN 0.175 nan 8.190 nan 0.000 0.503 100 F N 0.221 120.186 119.950 0.025 0.000 2.727 100 F HA 0.208 4.735 4.527 -0.000 0.000 0.302 100 F C 2.121 177.926 175.800 0.009 0.000 1.107 100 F CA 0.087 58.131 58.000 0.074 0.000 1.277 100 F CB -0.580 38.446 39.000 0.044 0.000 1.079 100 F HN 0.328 nan 8.300 nan 0.000 0.594 101 E N 0.574 120.827 120.200 0.087 0.000 2.197 101 E HA -0.259 4.090 4.350 -0.000 0.000 0.205 101 E C -0.270 176.130 176.600 -0.333 0.000 1.029 101 E CA 1.890 58.206 56.400 -0.140 0.000 0.828 101 E CB -0.625 28.949 29.700 -0.210 0.000 0.737 101 E HN 0.483 nan 8.360 nan 0.000 0.464 102 H N -1.116 118.010 119.070 0.094 0.000 2.894 102 H HA 0.421 4.977 4.556 -0.000 0.000 0.367 102 H C -0.820 174.543 175.328 0.058 0.000 1.144 102 H CA -0.981 55.104 56.048 0.062 0.000 1.180 102 H CB 1.717 31.499 29.762 0.034 0.000 1.758 102 H HN -0.044 nan 8.280 nan 0.000 0.541 103 I N 2.365 123.047 120.570 0.186 0.000 2.598 103 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 103 I C 1.172 177.322 176.117 0.055 0.000 1.140 103 I CA 1.346 62.697 61.300 0.086 0.000 1.420 103 I CB 0.508 38.528 38.000 0.033 0.000 1.387 103 I HN 1.111 nan 8.210 nan 0.000 0.553 104 G N 4.863 113.676 108.800 0.022 0.000 2.213 104 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 104 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 104 G C 0.385 175.290 174.900 0.007 0.000 0.992 104 G CA -0.159 44.943 45.100 0.002 0.000 0.632 104 G HN 0.622 nan 8.290 nan 0.000 0.511 105 K N 1.495 121.920 120.400 0.042 0.000 2.416 105 K HA 0.442 4.762 4.320 -0.000 0.000 0.283 105 K C 0.118 176.738 176.600 0.033 0.000 1.037 105 K CA 0.076 56.397 56.287 0.057 0.000 0.995 105 K CB 0.190 32.759 32.500 0.116 0.000 0.938 105 K HN 0.247 nan 8.250 nan 0.000 0.475 106 K N 2.719 123.141 120.400 0.037 0.000 2.182 106 K HA 0.287 4.606 4.320 -0.000 0.000 0.262 106 K C -1.025 175.662 176.600 0.146 0.000 0.957 106 K CA -0.736 55.596 56.287 0.075 0.000 0.842 106 K CB 2.129 34.596 32.500 -0.054 0.000 1.099 106 K HN 0.503 nan 8.250 nan 0.000 0.438 107 T N 3.776 118.497 114.554 0.278 0.000 2.848 107 T HA 0.323 4.673 4.350 -0.000 0.000 0.285 107 T C -2.686 172.206 174.700 0.320 0.000 0.995 107 T CA -1.768 60.505 62.100 0.289 0.000 0.970 107 T CB 1.810 70.901 68.868 0.371 0.000 0.976 107 T HN 0.247 nan 8.240 nan 0.000 0.441 108 P HA 0.325 nan 4.420 nan 0.000 0.268 108 P C -0.620 176.883 177.300 0.339 0.000 1.205 108 P CA -0.309 62.971 63.100 0.299 0.000 0.771 108 P CB 0.297 32.151 31.700 0.257 0.000 0.858 109 I N -1.137 119.587 120.570 0.256 0.000 2.969 109 I HA 0.908 5.077 4.170 -0.000 0.000 0.307 109 I C -1.419 174.790 176.117 0.153 0.000 1.149 109 I CA -1.537 59.781 61.300 0.029 0.000 1.008 109 I CB 2.665 40.465 38.000 -0.332 0.000 1.232 109 I HN 0.238 nan 8.210 nan 0.000 0.435 110 A N 4.217 127.031 122.820 -0.009 0.000 2.356 110 A HA 0.860 5.180 4.320 -0.000 0.000 0.310 110 A C -1.110 176.331 177.584 -0.237 0.000 1.075 110 A CA -0.594 51.388 52.037 -0.093 0.000 0.746 110 A CB 1.781 20.857 19.000 0.127 0.000 1.221 110 A HN 0.584 nan 8.150 nan 0.000 0.443 111 V N 1.670 121.338 119.914 -0.409 0.000 2.876 111 V HA 0.725 4.844 4.120 -0.000 0.000 0.312 111 V C -0.149 175.636 176.094 -0.514 0.000 1.085 111 V CA -0.724 61.295 62.300 -0.469 0.000 0.945 111 V CB 2.169 33.604 31.823 -0.646 0.000 1.017 111 V HN 0.963 nan 8.190 nan 0.000 0.428 112 R N 2.279 122.426 120.500 -0.588 0.000 2.510 112 R HA 0.577 4.917 4.340 -0.000 0.000 0.294 112 R C -1.870 174.063 176.300 -0.610 0.000 1.056 112 R CA -0.396 55.432 56.100 -0.453 0.000 0.918 112 R CB 1.231 31.462 30.300 -0.116 0.000 1.187 112 R HN 0.569 nan 8.270 nan 0.000 0.437 113 F N 1.910 121.619 119.950 -0.402 0.000 2.377 113 F HA 0.566 5.093 4.527 -0.000 0.000 0.328 113 F C 0.614 176.222 175.800 -0.320 0.000 1.094 113 F CA -0.029 57.634 58.000 -0.561 0.000 1.093 113 F CB 2.042 40.300 39.000 -1.237 0.000 1.214 113 F HN 0.615 nan 8.300 nan 0.000 0.518 114 S N -0.988 114.757 115.700 0.076 0.000 2.597 114 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 114 S C -0.672 174.052 174.600 0.207 0.000 1.132 114 S CA -0.881 57.428 58.200 0.182 0.000 0.835 114 S CB 0.995 64.332 63.200 0.230 0.000 1.092 114 S HN 0.761 nan 8.310 nan 0.000 0.457 115 T N -0.853 113.788 114.554 0.144 0.000 2.865 115 T HA 0.704 5.054 4.350 -0.000 0.000 0.302 115 T C 0.903 175.523 174.700 -0.134 0.000 1.078 115 T CA 0.047 62.179 62.100 0.054 0.000 0.942 115 T CB 0.298 69.197 68.868 0.052 0.000 1.387 115 T HN 0.797 nan 8.240 nan 0.000 0.557 116 V N -0.390 119.410 119.914 -0.190 0.000 3.029 116 V HA 0.316 4.436 4.120 -0.000 0.000 0.230 116 V C 2.765 178.746 176.094 -0.189 0.000 1.254 116 V CA 0.717 62.802 62.300 -0.359 0.000 1.276 116 V CB -0.871 30.777 31.823 -0.292 0.000 1.080 116 V HN 1.012 nan 8.190 nan 0.000 0.495 117 A N 0.775 123.499 122.820 -0.160 0.000 1.840 117 A HA 0.237 4.557 4.320 -0.000 0.000 0.214 117 A C 1.676 179.191 177.584 -0.116 0.000 1.198 117 A CA 1.264 53.198 52.037 -0.171 0.000 0.608 117 A CB -1.285 17.586 19.000 -0.214 0.000 0.839 117 A HN 0.599 nan 8.150 nan 0.000 0.443 118 G N 0.054 108.805 108.800 -0.081 0.000 2.562 118 G HA2 0.350 4.310 3.960 -0.000 0.000 0.233 118 G HA3 0.350 4.310 3.960 -0.000 0.000 0.233 118 G C -0.093 174.796 174.900 -0.018 0.000 1.266 118 G CA -0.044 45.028 45.100 -0.048 0.000 0.852 118 G HN 0.514 nan 8.290 nan 0.000 0.581 119 E N -0.259 119.936 120.200 -0.008 0.000 3.218 119 E HA 0.372 4.722 4.350 -0.000 0.000 0.265 119 E C 0.522 177.144 176.600 0.038 0.000 1.393 119 E CA -0.252 56.158 56.400 0.018 0.000 1.160 119 E CB 0.292 30.006 29.700 0.023 0.000 1.272 119 E HN 0.333 nan 8.360 nan 0.000 0.720 120 S N -0.350 115.380 115.700 0.050 0.000 2.499 120 S HA 0.479 4.949 4.470 -0.000 0.000 0.275 120 S C 0.762 175.388 174.600 0.043 0.000 1.257 120 S CA 0.190 58.426 58.200 0.061 0.000 1.050 120 S CB 0.733 63.977 63.200 0.074 0.000 0.937 120 S HN 0.742 nan 8.310 nan 0.000 0.490 121 G N 2.425 111.247 108.800 0.036 0.000 2.481 121 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.200 121 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.200 121 G C 0.323 175.237 174.900 0.024 0.000 1.012 121 G CA -0.136 44.980 45.100 0.026 0.000 0.676 121 G HN 1.015 nan 8.290 nan 0.000 0.488 122 S N 1.005 116.720 115.700 0.025 0.000 2.589 122 S HA 0.726 5.196 4.470 -0.000 0.000 0.265 122 S C 0.751 175.369 174.600 0.029 0.000 1.342 122 S CA 0.613 58.824 58.200 0.019 0.000 1.005 122 S CB 1.572 64.778 63.200 0.009 0.000 0.909 122 S HN 1.917 nan 8.310 nan 0.000 0.555 123 A N 0.549 123.383 122.820 0.025 0.000 2.287 123 A HA 0.431 4.751 4.320 -0.000 0.000 0.273 123 A C 0.625 178.239 177.584 0.050 0.000 1.091 123 A CA -0.552 51.506 52.037 0.034 0.000 0.817 123 A CB -0.043 18.968 19.000 0.019 0.000 1.069 123 A HN 0.874 nan 8.150 nan 0.000 0.492 124 D N -0.062 120.380 120.400 0.070 0.000 2.201 124 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 124 D C 1.282 177.618 176.300 0.059 0.000 0.961 124 D CA 2.005 56.061 54.000 0.093 0.000 0.861 124 D CB -0.344 40.533 40.800 0.127 0.000 0.997 124 D HN 0.651 nan 8.370 nan 0.000 0.486 125 T N 0.308 114.875 114.554 0.021 0.000 4.099 125 T HA 0.337 4.687 4.350 -0.000 0.000 0.223 125 T C 0.388 175.073 174.700 -0.025 0.000 0.968 125 T CA -0.547 61.533 62.100 -0.033 0.000 0.966 125 T CB -1.044 67.740 68.868 -0.140 0.000 1.328 125 T HN -0.057 nan 8.240 nan 0.000 0.783 126 V N -1.475 118.438 119.914 -0.002 0.000 3.001 126 V HA 0.643 4.763 4.120 -0.000 0.000 0.314 126 V C 0.089 176.178 176.094 -0.010 0.000 1.099 126 V CA -1.907 60.387 62.300 -0.010 0.000 0.989 126 V CB 1.860 33.676 31.823 -0.012 0.000 1.040 126 V HN 0.490 nan 8.190 nan 0.000 0.434 127 R N 1.749 122.231 120.500 -0.030 0.000 2.449 127 R HA 0.476 4.816 4.340 -0.000 0.000 0.296 127 R C -1.092 175.173 176.300 -0.059 0.000 1.047 127 R CA 0.506 56.574 56.100 -0.054 0.000 1.018 127 R CB 0.003 30.235 30.300 -0.114 0.000 0.962 127 R HN 1.020 nan 8.270 nan 0.000 0.428 128 D N 3.781 124.173 120.400 -0.013 0.000 2.898 128 D HA 0.148 4.788 4.640 -0.000 0.000 0.254 128 D C -2.778 173.577 176.300 0.093 0.000 1.107 128 D CA -0.708 53.305 54.000 0.022 0.000 0.729 128 D CB 1.602 42.400 40.800 -0.003 0.000 1.734 128 D HN 0.228 nan 8.370 nan 0.000 0.452 129 P HA 0.315 nan 4.420 nan 0.000 0.274 129 P C -0.668 176.748 177.300 0.194 0.000 1.260 129 P CA -0.491 62.734 63.100 0.208 0.000 0.793 129 P CB 0.651 32.536 31.700 0.308 0.000 1.048 130 R N -0.367 120.280 120.500 0.243 0.000 2.599 130 R HA 0.535 4.875 4.340 -0.000 0.000 0.295 130 R C 0.299 176.799 176.300 0.334 0.000 0.963 130 R CA -0.644 55.615 56.100 0.265 0.000 0.883 130 R CB 1.789 32.257 30.300 0.280 0.000 1.171 130 R HN 0.627 nan 8.270 nan 0.000 0.450 131 G N 1.135 110.157 108.800 0.369 0.000 2.444 131 G HA2 0.413 4.373 3.960 -0.000 0.000 0.268 131 G HA3 0.413 4.373 3.960 -0.000 0.000 0.268 131 G C -1.052 173.974 174.900 0.210 0.000 1.203 131 G CA -0.012 45.303 45.100 0.359 0.000 0.835 131 G HN 0.385 nan 8.290 nan 0.000 0.543 132 F N 2.276 122.179 119.950 -0.079 0.000 2.971 132 F HA 0.581 5.107 4.527 -0.000 0.000 0.373 132 F C 0.221 175.784 175.800 -0.395 0.000 1.288 132 F CA -1.733 56.135 58.000 -0.220 0.000 1.204 132 F CB 0.575 39.554 39.000 -0.035 0.000 1.852 132 F HN 0.660 nan 8.300 nan 0.000 0.624 133 A N 2.883 125.463 122.820 -0.401 0.000 2.331 133 A HA 0.760 5.080 4.320 -0.000 0.000 0.283 133 A C -1.033 176.056 177.584 -0.825 0.000 1.142 133 A CA -0.368 51.135 52.037 -0.889 0.000 0.812 133 A CB 0.801 18.666 19.000 -1.891 0.000 1.074 133 A HN 0.326 nan 8.150 nan 0.000 0.497 134 V N 2.656 122.176 119.914 -0.657 0.000 2.588 134 V HA 0.456 4.576 4.120 -0.000 0.000 0.304 134 V C -0.063 175.779 176.094 -0.420 0.000 1.042 134 V CA -0.727 61.223 62.300 -0.584 0.000 0.877 134 V CB 1.691 32.984 31.823 -0.883 0.000 0.996 134 V HN 0.918 nan 8.190 nan 0.000 0.425 135 K N 4.139 124.329 120.400 -0.351 0.000 2.425 135 K HA 0.582 4.901 4.320 -0.000 0.000 0.259 135 K C -1.675 174.539 176.600 -0.644 0.000 0.978 135 K CA -0.480 55.556 56.287 -0.418 0.000 0.883 135 K CB 0.844 33.044 32.500 -0.498 0.000 1.110 135 K HN 0.488 nan 8.250 nan 0.000 0.436 136 F N 4.152 123.803 119.950 -0.498 0.000 2.391 136 F HA 0.261 4.788 4.527 -0.000 0.000 0.359 136 F C -0.386 175.232 175.800 -0.303 0.000 1.122 136 F CA -0.614 57.191 58.000 -0.325 0.000 1.120 136 F CB 0.637 39.489 39.000 -0.246 0.000 1.142 136 F HN 0.413 nan 8.300 nan 0.000 0.483 137 Y N 1.823 122.123 120.300 -0.001 0.000 2.636 137 Y HA 0.252 4.802 4.550 -0.000 0.000 0.341 137 Y C 1.015 176.832 175.900 -0.138 0.000 1.169 137 Y CA -0.801 57.204 58.100 -0.159 0.000 1.498 137 Y CB -0.105 38.103 38.460 -0.420 0.000 1.362 137 Y HN 0.571 nan 8.280 nan 0.000 0.494 138 T N -2.275 112.296 114.554 0.027 0.000 2.881 138 T HA 0.223 4.573 4.350 -0.000 0.000 0.278 138 T C 0.968 175.640 174.700 -0.046 0.000 0.982 138 T CA -0.728 61.365 62.100 -0.012 0.000 0.989 138 T CB 1.200 70.036 68.868 -0.054 0.000 1.058 138 T HN 0.499 nan 8.240 nan 0.000 0.529 139 E N -0.009 120.163 120.200 -0.046 0.000 2.268 139 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 139 E C 0.606 177.176 176.600 -0.050 0.000 0.995 139 E CA 0.689 57.062 56.400 -0.045 0.000 0.836 139 E CB -0.050 29.630 29.700 -0.032 0.000 0.763 139 E HN 0.580 nan 8.360 nan 0.000 0.491 140 D N 0.052 120.413 120.400 -0.065 0.000 2.460 140 D HA 0.284 4.924 4.640 -0.000 0.000 0.229 140 D C 0.331 176.594 176.300 -0.062 0.000 1.170 140 D CA 0.602 54.561 54.000 -0.068 0.000 0.827 140 D CB 0.253 40.997 40.800 -0.093 0.000 0.973 140 D HN 0.185 nan 8.370 nan 0.000 0.496 141 G N 0.413 109.183 108.800 -0.050 0.000 2.631 141 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.504 141 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.504 141 G C -0.543 174.338 174.900 -0.031 0.000 1.306 141 G CA -1.063 44.014 45.100 -0.038 0.000 0.897 141 G HN 0.282 nan 8.290 nan 0.000 0.520 142 N N -0.471 118.211 118.700 -0.031 0.000 2.499 142 N HA 0.463 5.202 4.740 -0.000 0.000 0.281 142 N C -0.847 174.688 175.510 0.042 0.000 1.098 142 N CA -0.184 52.834 53.050 -0.053 0.000 0.979 142 N CB 1.184 39.585 38.487 -0.144 0.000 1.121 142 N HN 0.632 nan 8.380 nan 0.000 0.466 143 W N 3.273 124.478 121.300 -0.157 0.000 2.411 143 W HA 0.340 4.999 4.660 -0.000 0.000 0.317 143 W C -1.450 175.038 176.519 -0.052 0.000 1.030 143 W CA -1.010 56.230 57.345 -0.176 0.000 1.239 143 W CB 0.524 29.749 29.460 -0.392 0.000 1.304 143 W HN 0.389 nan 8.180 nan 0.000 0.437 144 D N 5.901 126.217 120.400 -0.140 0.000 2.392 144 D HA 0.175 4.815 4.640 -0.000 0.000 0.228 144 D C -0.895 175.133 176.300 -0.454 0.000 1.074 144 D CA -0.348 53.511 54.000 -0.235 0.000 0.838 144 D CB 1.766 42.561 40.800 -0.008 0.000 1.067 144 D HN 0.328 nan 8.370 nan 0.000 0.511 145 L N 4.435 125.265 121.223 -0.655 0.000 2.360 145 L HA 0.221 4.561 4.340 -0.000 0.000 0.265 145 L C -0.784 175.859 176.870 -0.378 0.000 1.066 145 L CA -0.631 53.837 54.840 -0.619 0.000 0.929 145 L CB 0.898 42.426 42.059 -0.885 0.000 1.306 145 L HN 0.076 nan 8.230 nan 0.000 0.434 146 V N 5.359 125.119 119.914 -0.257 0.000 2.223 146 V HA 0.471 4.591 4.120 -0.000 0.000 0.249 146 V C 1.155 177.168 176.094 -0.135 0.000 1.233 146 V CA 0.051 62.185 62.300 -0.276 0.000 1.131 146 V CB -0.440 31.206 31.823 -0.294 0.000 1.298 146 V HN 0.775 nan 8.190 nan 0.000 0.498 147 G N 2.978 111.723 108.800 -0.092 0.000 2.557 147 G HA2 0.553 4.513 3.960 -0.000 0.000 0.302 147 G HA3 0.553 4.513 3.960 -0.000 0.000 0.302 147 G C -0.567 174.364 174.900 0.051 0.000 1.311 147 G CA -0.576 44.526 45.100 0.005 0.000 1.030 147 G HN 0.496 nan 8.290 nan 0.000 0.509 148 N N -1.043 117.708 118.700 0.086 0.000 2.577 148 N HA 0.208 4.947 4.740 -0.000 0.000 0.285 148 N C 0.574 176.215 175.510 0.218 0.000 1.309 148 N CA -0.758 52.413 53.050 0.202 0.000 0.798 148 N CB 1.424 40.054 38.487 0.239 0.000 1.463 148 N HN 0.503 nan 8.380 nan 0.000 0.518 149 N N -1.234 117.645 118.700 0.299 0.000 2.449 149 N HA -0.036 4.704 4.740 -0.000 0.000 0.191 149 N C -0.242 175.528 175.510 0.433 0.000 1.161 149 N CA 0.187 53.436 53.050 0.331 0.000 0.863 149 N CB 0.024 38.702 38.487 0.318 0.000 0.980 149 N HN 0.404 nan 8.380 nan 0.000 0.458 150 T N 0.097 114.853 114.554 0.336 0.000 2.893 150 T HA 0.364 4.713 4.350 -0.000 0.000 0.293 150 T C -2.413 172.143 174.700 -0.239 0.000 1.027 150 T CA -1.868 60.278 62.100 0.076 0.000 0.988 150 T CB 2.376 71.262 68.868 0.031 0.000 1.043 150 T HN -0.181 nan 8.240 nan 0.000 0.461 151 P HA 0.182 nan 4.420 nan 0.000 0.241 151 P C 0.493 177.487 177.300 -0.510 0.000 1.191 151 P CA 0.282 62.915 63.100 -0.779 0.000 0.771 151 P CB -0.084 31.033 31.700 -0.971 0.000 0.929 152 I N -5.739 114.532 120.570 -0.498 0.000 3.457 152 I HA 0.688 4.858 4.170 -0.000 0.000 0.307 152 I C -1.061 174.877 176.117 -0.300 0.000 1.138 152 I CA -1.666 59.352 61.300 -0.469 0.000 0.974 152 I CB 1.888 39.444 38.000 -0.740 0.000 1.324 152 I HN -0.293 nan 8.210 nan 0.000 0.485 153 F N -0.483 119.186 119.950 -0.469 0.000 2.664 153 F HA 0.483 5.010 4.527 -0.000 0.000 0.317 153 F C -0.098 175.443 175.800 -0.432 0.000 1.108 153 F CA -0.741 57.019 58.000 -0.401 0.000 0.957 153 F CB 1.921 40.840 39.000 -0.134 0.000 1.365 153 F HN 0.427 nan 8.300 nan 0.000 0.475 154 F N 2.349 121.791 119.950 -0.848 0.000 2.216 154 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 154 F C 0.788 176.416 175.800 -0.288 0.000 1.085 154 F CA 1.040 58.649 58.000 -0.652 0.000 1.326 154 F CB -0.372 37.984 39.000 -1.075 0.000 1.027 154 F HN 0.130 nan 8.300 nan 0.000 0.497 155 I N -2.017 118.640 120.570 0.145 0.000 3.145 155 I HA 0.486 4.656 4.170 -0.000 0.000 0.313 155 I C 0.509 176.751 176.117 0.207 0.000 1.122 155 I CA -1.164 60.251 61.300 0.192 0.000 0.987 155 I CB 2.352 40.514 38.000 0.270 0.000 1.236 155 I HN -0.069 nan 8.210 nan 0.000 0.453 156 R N 0.199 120.789 120.500 0.149 0.000 2.543 156 R HA 0.410 4.750 4.340 -0.000 0.000 0.323 156 R C -0.770 175.604 176.300 0.124 0.000 1.002 156 R CA -0.303 55.870 56.100 0.120 0.000 1.106 156 R CB 0.373 30.722 30.300 0.081 0.000 1.280 156 R HN 0.720 nan 8.270 nan 0.000 0.549 157 D N 1.302 121.793 120.400 0.152 0.000 2.855 157 D HA 0.160 4.800 4.640 -0.000 0.000 0.241 157 D C -1.970 174.431 176.300 0.168 0.000 1.277 157 D CA -1.998 52.082 54.000 0.134 0.000 0.918 157 D CB 2.624 43.496 40.800 0.121 0.000 1.462 157 D HN -0.189 nan 8.370 nan 0.000 0.559 158 P HA -0.151 nan 4.420 nan 0.000 0.216 158 P C 1.802 179.210 177.300 0.180 0.000 1.150 158 P CA 0.594 63.774 63.100 0.133 0.000 0.843 158 P CB 0.613 32.350 31.700 0.061 0.000 0.787 159 I N -1.391 119.264 120.570 0.141 0.000 2.800 159 I HA -0.189 3.981 4.170 -0.000 0.000 0.266 159 I C 1.463 177.680 176.117 0.167 0.000 1.249 159 I CA 0.866 62.245 61.300 0.132 0.000 1.458 159 I CB -0.087 37.968 38.000 0.092 0.000 1.093 159 I HN -0.137 nan 8.210 nan 0.000 0.466 160 L N -1.368 119.995 121.223 0.233 0.000 2.616 160 L HA 0.070 4.410 4.340 -0.000 0.000 0.229 160 L C 1.631 178.683 176.870 0.302 0.000 1.110 160 L CA 0.446 55.454 54.840 0.280 0.000 0.884 160 L CB -0.554 41.722 42.059 0.363 0.000 1.115 160 L HN 0.105 nan 8.230 nan 0.000 0.481 161 F N 2.176 122.229 119.950 0.171 0.000 2.095 161 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 161 F C -0.439 175.390 175.800 0.049 0.000 1.104 161 F CA 1.881 60.000 58.000 0.198 0.000 1.232 161 F CB -0.938 38.161 39.000 0.164 0.000 0.987 161 F HN 0.124 nan 8.300 nan 0.000 0.475 162 P HA -0.164 nan 4.420 nan 0.000 0.215 162 P C 1.812 178.738 177.300 -0.623 0.000 1.157 162 P CA 2.384 65.298 63.100 -0.311 0.000 0.868 162 P CB -0.077 31.485 31.700 -0.231 0.000 0.788 163 S N -1.245 114.238 115.700 -0.361 0.000 2.356 163 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 163 S C 1.665 175.927 174.600 -0.563 0.000 1.032 163 S CA 1.091 59.099 58.200 -0.321 0.000 1.005 163 S CB -1.301 61.883 63.200 -0.026 0.000 0.867 163 S HN 0.172 nan 8.310 nan 0.000 0.449 164 F N 2.444 121.912 119.950 -0.803 0.000 2.069 164 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 164 F C 1.900 177.199 175.800 -0.834 0.000 1.113 164 F CA 1.343 58.643 58.000 -1.166 0.000 1.214 164 F CB -0.173 38.441 39.000 -0.643 0.000 0.978 164 F HN 0.081 nan 8.300 nan 0.000 0.474 165 I N 0.554 120.546 120.570 -0.964 0.000 2.208 165 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 165 I C 2.406 178.186 176.117 -0.563 0.000 1.097 165 I CA 1.720 62.491 61.300 -0.883 0.000 1.363 165 I CB -1.910 35.688 38.000 -0.670 0.000 1.051 165 I HN 0.370 nan 8.210 nan 0.000 0.413 166 H N 0.596 119.349 119.070 -0.527 0.000 2.352 166 H HA -0.146 4.409 4.556 -0.000 0.000 0.299 166 H C 2.490 177.547 175.328 -0.451 0.000 1.097 166 H CA 1.623 57.439 56.048 -0.388 0.000 1.311 166 H CB 0.182 29.786 29.762 -0.264 0.000 1.377 166 H HN 0.397 nan 8.280 nan 0.000 0.504 167 S N 0.566 115.987 115.700 -0.465 0.000 2.399 167 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 167 S C 1.881 176.111 174.600 -0.617 0.000 1.022 167 S CA 0.839 58.730 58.200 -0.515 0.000 0.983 167 S CB -0.000 62.825 63.200 -0.625 0.000 0.803 167 S HN 0.370 nan 8.310 nan 0.000 0.480 168 Q N 1.052 120.363 119.800 -0.814 0.000 2.311 168 Q HA 0.237 4.577 4.340 -0.000 0.000 0.203 168 Q C 1.036 176.739 176.000 -0.494 0.000 0.954 168 Q CA 0.715 56.057 55.803 -0.769 0.000 0.885 168 Q CB 0.021 28.156 28.738 -1.004 0.000 0.963 168 Q HN 0.666 nan 8.270 nan 0.000 0.471 169 K N 0.303 120.455 120.400 -0.415 0.000 2.711 169 K HA 0.298 4.618 4.320 -0.000 0.000 0.305 169 K C 0.319 176.753 176.600 -0.277 0.000 0.974 169 K CA -0.571 55.531 56.287 -0.310 0.000 1.394 169 K CB 0.417 32.757 32.500 -0.266 0.000 1.670 169 K HN -0.119 nan 8.250 nan 0.000 0.748 170 R N 1.630 121.960 120.500 -0.283 0.000 2.500 170 R HA 0.135 4.475 4.340 -0.000 0.000 0.277 170 R C -0.018 176.151 176.300 -0.219 0.000 1.026 170 R CA -0.692 55.234 56.100 -0.290 0.000 1.058 170 R CB 0.548 30.553 30.300 -0.492 0.000 1.078 170 R HN 0.470 nan 8.270 nan 0.000 0.509 171 N N 3.838 122.442 118.700 -0.160 0.000 2.468 171 N HA -0.017 4.723 4.740 -0.000 0.000 0.265 171 N C -1.543 173.921 175.510 -0.077 0.000 1.199 171 N CA -1.142 51.846 53.050 -0.104 0.000 0.928 171 N CB 0.982 39.431 38.487 -0.063 0.000 1.059 171 N HN 0.373 nan 8.380 nan 0.000 0.467 172 P HA -0.205 nan 4.420 nan 0.000 0.219 172 P C 0.768 178.060 177.300 -0.013 0.000 1.144 172 P CA 1.463 64.526 63.100 -0.061 0.000 0.806 172 P CB 0.457 32.106 31.700 -0.084 0.000 0.771 173 Q N -0.257 119.539 119.800 -0.007 0.000 2.499 173 Q HA -0.019 4.320 4.340 -0.000 0.000 0.213 173 Q C 2.123 178.138 176.000 0.025 0.000 0.929 173 Q CA 1.262 57.068 55.803 0.005 0.000 0.904 173 Q CB -0.099 28.638 28.738 -0.002 0.000 1.052 173 Q HN 0.194 nan 8.270 nan 0.000 0.589 174 T N -2.972 111.596 114.554 0.024 0.000 3.043 174 T HA -0.066 4.284 4.350 -0.000 0.000 0.263 174 T C 0.388 175.149 174.700 0.102 0.000 1.094 174 T CA 1.075 63.198 62.100 0.039 0.000 1.127 174 T CB -0.214 68.663 68.868 0.014 0.000 0.905 174 T HN 0.627 nan 8.240 nan 0.000 0.490 175 H N 0.018 119.060 119.070 -0.046 0.000 2.936 175 H HA -0.101 4.455 4.556 -0.000 0.000 0.276 175 H C -0.799 174.500 175.328 -0.048 0.000 1.216 175 H CA 0.482 56.499 56.048 -0.052 0.000 1.132 175 H CB -2.206 27.531 29.762 -0.042 0.000 1.303 175 H HN 0.552 nan 8.280 nan 0.000 0.370 176 L N 0.253 121.432 121.223 -0.074 0.000 2.333 176 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 176 L C 0.594 177.396 176.870 -0.113 0.000 1.010 176 L CA -1.417 53.374 54.840 -0.082 0.000 0.818 176 L CB 1.299 43.340 42.059 -0.030 0.000 1.306 176 L HN -0.085 nan 8.230 nan 0.000 0.430 177 K N 1.548 121.888 120.400 -0.100 0.000 2.436 177 K HA 0.062 4.381 4.320 -0.000 0.000 0.275 177 K C -0.677 175.888 176.600 -0.057 0.000 0.999 177 K CA 0.210 56.441 56.287 -0.093 0.000 0.980 177 K CB 0.433 32.903 32.500 -0.050 0.000 0.919 177 K HN 0.460 nan 8.250 nan 0.000 0.484 178 D N 4.043 124.403 120.400 -0.067 0.000 2.375 178 D HA 0.176 4.816 4.640 -0.000 0.000 0.259 178 D C -1.789 174.500 176.300 -0.019 0.000 1.235 178 D CA -2.041 51.933 54.000 -0.044 0.000 0.924 178 D CB 1.263 42.027 40.800 -0.060 0.000 1.143 178 D HN 0.053 nan 8.370 nan 0.000 0.529 179 P HA -0.159 nan 4.420 nan 0.000 0.218 179 P C 0.747 178.121 177.300 0.122 0.000 1.146 179 P CA 0.897 64.045 63.100 0.080 0.000 0.820 179 P CB 0.725 32.368 31.700 -0.095 0.000 0.778 180 D N -1.042 119.381 120.400 0.039 0.000 2.097 180 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 180 D C 2.161 178.482 176.300 0.036 0.000 0.984 180 D CA 1.109 55.127 54.000 0.029 0.000 0.826 180 D CB -0.626 40.178 40.800 0.006 0.000 0.973 180 D HN 0.133 nan 8.370 nan 0.000 0.460 181 M N -0.340 119.254 119.600 -0.011 0.000 2.067 181 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 181 M C 2.267 178.494 176.300 -0.121 0.000 1.069 181 M CA 0.902 56.171 55.300 -0.053 0.000 1.117 181 M CB -0.247 32.288 32.600 -0.110 0.000 1.334 181 M HN -0.091 nan 8.290 nan 0.000 0.407 182 V N -0.903 118.881 119.914 -0.217 0.000 2.252 182 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 182 V C 1.748 177.540 176.094 -0.504 0.000 1.056 182 V CA 2.171 64.151 62.300 -0.534 0.000 1.022 182 V CB -0.756 30.768 31.823 -0.499 0.000 0.641 182 V HN 0.591 nan 8.190 nan 0.000 0.445 183 W N -0.341 120.963 121.300 0.007 0.000 2.658 183 W HA 0.030 4.690 4.660 -0.000 0.000 0.263 183 W C 2.217 178.801 176.519 0.109 0.000 1.274 183 W CA 0.710 58.147 57.345 0.154 0.000 1.343 183 W CB -0.221 29.326 29.460 0.146 0.000 1.106 183 W HN 0.296 nan 8.180 nan 0.000 0.615 184 D N 0.049 120.582 120.400 0.222 0.000 2.084 184 D HA -0.250 4.389 4.640 -0.000 0.000 0.196 184 D C 1.857 178.270 176.300 0.189 0.000 0.985 184 D CA 1.322 55.420 54.000 0.163 0.000 0.826 184 D CB -0.506 40.373 40.800 0.131 0.000 0.978 184 D HN 0.098 nan 8.370 nan 0.000 0.456 185 F N -0.237 119.736 119.950 0.038 0.000 2.075 185 F HA -0.151 4.375 4.527 -0.000 0.000 0.297 185 F C 1.935 177.839 175.800 0.173 0.000 1.113 185 F CA 1.520 59.549 58.000 0.047 0.000 1.218 185 F CB -0.296 38.661 39.000 -0.071 0.000 0.984 185 F HN 0.041 nan 8.300 nan 0.000 0.472 186 W N 1.023 122.420 121.300 0.162 0.000 2.358 186 W HA -0.172 4.487 4.660 -0.000 0.000 0.303 186 W C 3.086 179.616 176.519 0.018 0.000 1.208 186 W CA 1.873 59.248 57.345 0.050 0.000 1.274 186 W CB -1.639 27.784 29.460 -0.061 0.000 1.138 186 W HN 0.262 nan 8.180 nan 0.000 0.515 187 S N -0.347 115.554 115.700 0.335 0.000 2.387 187 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 187 S C 1.989 176.624 174.600 0.058 0.000 1.026 187 S CA 1.078 59.391 58.200 0.188 0.000 0.972 187 S CB -0.970 62.352 63.200 0.204 0.000 0.814 187 S HN 0.230 nan 8.310 nan 0.000 0.477 188 L N 0.225 121.459 121.223 0.020 0.000 2.201 188 L HA 0.116 4.456 4.340 -0.000 0.000 0.212 188 L C 0.843 177.631 176.870 -0.137 0.000 1.105 188 L CA 0.657 55.467 54.840 -0.050 0.000 0.775 188 L CB -0.155 41.868 42.059 -0.060 0.000 0.913 188 L HN 0.147 nan 8.230 nan 0.000 0.440 189 R N 0.354 120.719 120.500 -0.225 0.000 2.477 189 R HA 0.224 4.564 4.340 -0.000 0.000 0.285 189 R C -1.958 174.270 176.300 -0.120 0.000 1.415 189 R CA -2.129 53.829 56.100 -0.238 0.000 1.446 189 R CB 0.220 30.215 30.300 -0.507 0.000 1.110 189 R HN -0.029 nan 8.270 nan 0.000 0.590 190 P HA -0.075 nan 4.420 nan 0.000 0.239 190 P C -0.062 177.174 177.300 -0.107 0.000 1.184 190 P CA 0.663 63.697 63.100 -0.110 0.000 0.760 190 P CB 0.555 32.193 31.700 -0.103 0.000 0.884 191 E N 0.650 120.804 120.200 -0.077 0.000 2.204 191 E HA -0.125 4.224 4.350 -0.000 0.000 0.194 191 E C 2.196 178.737 176.600 -0.098 0.000 0.989 191 E CA 1.436 57.797 56.400 -0.066 0.000 0.824 191 E CB -1.086 28.598 29.700 -0.026 0.000 0.756 191 E HN 0.382 nan 8.360 nan 0.000 0.477 192 S N 1.188 116.829 115.700 -0.099 0.000 2.419 192 S HA -0.169 4.301 4.470 -0.000 0.000 0.235 192 S C 1.960 176.409 174.600 -0.252 0.000 1.019 192 S CA 0.735 58.842 58.200 -0.154 0.000 0.982 192 S CB -0.651 62.481 63.200 -0.114 0.000 0.789 192 S HN 0.203 nan 8.310 nan 0.000 0.490 193 L N 0.853 121.946 121.223 -0.217 0.000 2.085 193 L HA -0.312 4.028 4.340 -0.000 0.000 0.218 193 L C 2.828 179.663 176.870 -0.057 0.000 1.080 193 L CA 2.355 57.087 54.840 -0.180 0.000 0.776 193 L CB -0.849 41.103 42.059 -0.178 0.000 0.891 193 L HN 0.550 nan 8.230 nan 0.000 0.437 194 H N -1.094 117.817 119.070 -0.264 0.000 2.276 194 H HA -0.226 4.330 4.556 -0.000 0.000 0.301 194 H C 2.415 177.388 175.328 -0.592 0.000 1.073 194 H CA 1.413 57.229 56.048 -0.387 0.000 1.311 194 H CB 0.314 29.792 29.762 -0.474 0.000 1.379 194 H HN 0.192 nan 8.280 nan 0.000 0.494 195 Q N 0.662 120.073 119.800 -0.648 0.000 2.170 195 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 195 Q C 2.278 177.970 176.000 -0.514 0.000 0.976 195 Q CA 1.411 56.668 55.803 -0.911 0.000 0.858 195 Q CB -0.329 27.525 28.738 -1.474 0.000 0.907 195 Q HN 0.340 nan 8.270 nan 0.000 0.433 196 V N 0.055 119.780 119.914 -0.315 0.000 2.343 196 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 196 V C 2.216 178.509 176.094 0.332 0.000 1.051 196 V CA 1.939 64.213 62.300 -0.043 0.000 1.036 196 V CB -0.764 30.916 31.823 -0.238 0.000 0.654 196 V HN 0.344 nan 8.190 nan 0.000 0.451 197 S N -0.485 115.429 115.700 0.357 0.000 2.368 197 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 197 S C 1.805 176.773 174.600 0.613 0.000 1.030 197 S CA 1.610 60.183 58.200 0.621 0.000 0.999 197 S CB -0.469 63.165 63.200 0.723 0.000 0.844 197 S HN 0.572 nan 8.310 nan 0.000 0.459 198 F N 0.898 120.838 119.950 -0.017 0.000 2.102 198 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 198 F C 2.298 178.123 175.800 0.041 0.000 1.105 198 F CA 0.469 58.417 58.000 -0.087 0.000 1.239 198 F CB -0.295 38.501 39.000 -0.341 0.000 0.991 198 F HN 0.179 nan 8.300 nan 0.000 0.474 199 L N 0.009 121.360 121.223 0.213 0.000 1.990 199 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 199 L C 1.690 178.566 176.870 0.011 0.000 1.072 199 L CA 1.995 56.881 54.840 0.077 0.000 0.755 199 L CB -1.106 40.976 42.059 0.038 0.000 0.889 199 L HN 0.021 nan 8.230 nan 0.000 0.432 200 F N -0.341 119.751 119.950 0.235 0.000 2.802 200 F HA 0.070 4.597 4.527 -0.000 0.000 0.300 200 F C 1.824 177.745 175.800 0.201 0.000 1.168 200 F CA 0.341 58.478 58.000 0.229 0.000 1.433 200 F CB -0.710 38.453 39.000 0.272 0.000 1.115 200 F HN 0.226 nan 8.300 nan 0.000 0.582 201 S N -0.727 115.168 115.700 0.324 0.000 2.546 201 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 201 S C 1.306 175.994 174.600 0.146 0.000 1.190 201 S CA -0.407 57.935 58.200 0.236 0.000 1.014 201 S CB 0.323 63.675 63.200 0.253 0.000 1.087 201 S HN 0.100 nan 8.310 nan 0.000 0.525 202 D N 0.409 120.865 120.400 0.093 0.000 2.178 202 D HA -0.003 4.637 4.640 -0.000 0.000 0.202 202 D C 1.819 178.153 176.300 0.058 0.000 0.974 202 D CA 0.929 54.965 54.000 0.061 0.000 0.841 202 D CB -0.279 40.539 40.800 0.031 0.000 0.953 202 D HN 0.493 nan 8.370 nan 0.000 0.478 203 R N 0.469 121.005 120.500 0.061 0.000 2.328 203 R HA 0.092 4.432 4.340 -0.000 0.000 0.200 203 R C 1.946 178.292 176.300 0.077 0.000 0.983 203 R CA 0.273 56.412 56.100 0.065 0.000 1.062 203 R CB -0.133 30.196 30.300 0.049 0.000 0.956 203 R HN 0.080 nan 8.270 nan 0.000 0.479 204 G N 1.091 109.932 108.800 0.069 0.000 2.471 204 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.219 204 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.219 204 G C 0.784 175.708 174.900 0.041 0.000 1.125 204 G CA 0.369 45.497 45.100 0.046 0.000 0.775 204 G HN 0.194 nan 8.290 nan 0.000 0.548 205 I N 1.198 121.794 120.570 0.043 0.000 2.641 205 I HA 0.246 4.416 4.170 -0.000 0.000 0.275 205 I C -2.730 173.412 176.117 0.042 0.000 1.129 205 I CA -1.960 59.360 61.300 0.034 0.000 1.094 205 I CB 2.559 40.564 38.000 0.008 0.000 1.232 205 I HN -0.171 nan 8.210 nan 0.000 0.503 206 P HA 0.013 nan 4.420 nan 0.000 0.272 206 P C -0.411 176.935 177.300 0.077 0.000 1.223 206 P CA -0.156 62.997 63.100 0.089 0.000 0.784 206 P CB 0.679 32.454 31.700 0.126 0.000 0.923 207 D N 2.176 122.637 120.400 0.102 0.000 2.517 207 D HA 0.346 4.986 4.640 -0.000 0.000 0.220 207 D C 0.763 177.206 176.300 0.240 0.000 1.158 207 D CA 0.763 54.852 54.000 0.149 0.000 0.992 207 D CB -1.124 39.714 40.800 0.063 0.000 1.058 207 D HN 0.577 nan 8.370 nan 0.000 0.516 208 G N 3.063 111.952 108.800 0.149 0.000 2.760 208 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 208 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 208 G C 0.649 175.410 174.900 -0.232 0.000 1.359 208 G CA -0.486 44.551 45.100 -0.104 0.000 0.861 208 G HN 0.538 nan 8.290 nan 0.000 0.541 209 H N 0.383 119.320 119.070 -0.222 0.000 2.525 209 H HA 0.081 4.636 4.556 -0.000 0.000 0.275 209 H C 2.705 177.822 175.328 -0.352 0.000 0.984 209 H CA 1.205 56.938 56.048 -0.526 0.000 1.264 209 H CB 0.196 29.134 29.762 -1.373 0.000 1.432 209 H HN 0.520 nan 8.280 nan 0.000 0.549 210 R N 0.412 120.812 120.500 -0.167 0.000 2.280 210 R HA -0.024 4.316 4.340 -0.000 0.000 0.207 210 R C 0.319 176.416 176.300 -0.337 0.000 1.043 210 R CA 0.525 56.495 56.100 -0.217 0.000 1.006 210 R CB 0.136 30.186 30.300 -0.416 0.000 0.885 210 R HN 0.356 nan 8.270 nan 0.000 0.467 211 H N 0.398 119.490 119.070 0.037 0.000 2.524 211 H HA 0.234 4.790 4.556 -0.000 0.000 0.297 211 H C 0.146 175.549 175.328 0.125 0.000 1.115 211 H CA 0.051 56.126 56.048 0.045 0.000 1.027 211 H CB 0.043 29.818 29.762 0.022 0.000 1.591 211 H HN 0.196 nan 8.280 nan 0.000 0.543 212 M N -1.343 118.451 119.600 0.323 0.000 2.575 212 M HA 0.474 4.954 4.480 -0.000 0.000 0.284 212 M C -1.200 175.411 176.300 0.518 0.000 1.253 212 M CA -1.086 54.425 55.300 0.352 0.000 0.861 212 M CB 2.202 34.990 32.600 0.312 0.000 1.733 212 M HN -0.283 nan 8.290 nan 0.000 0.462 213 N N 0.107 119.016 118.700 0.349 0.000 2.413 213 N HA 0.788 5.528 4.740 -0.000 0.000 0.266 213 N C -0.603 174.861 175.510 -0.078 0.000 1.238 213 N CA -0.113 53.044 53.050 0.180 0.000 0.972 213 N CB 1.558 39.994 38.487 -0.085 0.000 1.210 213 N HN 0.894 nan 8.380 nan 0.000 0.547 214 G N -0.594 107.717 108.800 -0.816 0.000 2.571 214 G HA2 0.669 4.629 3.960 -0.000 0.000 0.304 214 G HA3 0.669 4.629 3.960 -0.000 0.000 0.304 214 G C -1.826 171.798 174.900 -2.126 0.000 1.314 214 G CA -0.268 43.883 45.100 -1.582 0.000 0.975 214 G HN 0.383 nan 8.290 nan 0.000 0.485 215 Y N -0.610 119.087 120.300 -1.004 0.000 2.562 215 Y HA 0.510 5.059 4.550 -0.000 0.000 0.345 215 Y C 1.127 176.868 175.900 -0.266 0.000 1.045 215 Y CA -0.343 57.401 58.100 -0.593 0.000 1.028 215 Y CB 2.432 40.638 38.460 -0.423 0.000 1.297 215 Y HN 0.640 nan 8.280 nan 0.000 0.463 216 G N -0.162 108.724 108.800 0.144 0.000 2.551 216 G HA2 0.163 4.123 3.960 -0.000 0.000 0.216 216 G HA3 0.163 4.123 3.960 -0.000 0.000 0.216 216 G C 0.809 175.842 174.900 0.221 0.000 1.137 216 G CA 0.894 46.191 45.100 0.329 0.000 0.798 216 G HN 0.709 nan 8.290 nan 0.000 0.536 217 S N -0.850 114.849 115.700 -0.001 0.000 2.260 217 S HA -0.242 4.228 4.470 -0.000 0.000 0.243 217 S C 0.897 175.332 174.600 -0.275 0.000 1.065 217 S CA 1.230 59.288 58.200 -0.238 0.000 2.199 217 S CB -1.354 61.644 63.200 -0.337 0.000 1.307 217 S HN 0.673 nan 8.310 nan 0.000 0.497 218 H N 2.201 121.189 119.070 -0.135 0.000 2.822 218 H HA 0.255 4.811 4.556 0.000 0.000 0.373 218 H C 0.563 175.655 175.328 -0.392 0.000 1.223 218 H CA 1.104 56.952 56.048 -0.333 0.000 1.436 218 H CB -0.011 29.393 29.762 -0.596 0.000 1.439 218 H HN 0.412 nan 8.280 nan 0.000 0.618 219 T N 2.498 116.910 114.554 -0.237 0.000 2.856 219 T HA 0.353 4.703 4.350 -0.000 0.000 0.292 219 T C -0.051 174.514 174.700 -0.225 0.000 0.980 219 T CA -0.189 61.811 62.100 -0.167 0.000 1.091 219 T CB 0.147 69.077 68.868 0.104 0.000 0.936 219 T HN 0.220 nan 8.240 nan 0.000 0.503 220 F N 1.073 121.087 119.950 0.106 0.000 2.639 220 F HA 0.608 5.135 4.527 -0.000 0.000 0.339 220 F C 0.394 176.374 175.800 0.299 0.000 1.071 220 F CA -1.203 56.916 58.000 0.199 0.000 0.994 220 F CB 1.711 40.873 39.000 0.269 0.000 1.341 220 F HN 0.236 nan 8.300 nan 0.000 0.498 221 K N 1.692 122.391 120.400 0.497 0.000 2.292 221 K HA 0.672 4.992 4.320 -0.000 0.000 0.257 221 K C -1.813 174.897 176.600 0.184 0.000 0.940 221 K CA -0.427 56.067 56.287 0.346 0.000 0.811 221 K CB 1.120 33.801 32.500 0.303 0.000 1.120 221 K HN 0.596 nan 8.250 nan 0.000 0.428 222 L N 4.279 125.545 121.223 0.072 0.000 2.322 222 L HA 0.533 4.873 4.340 -0.000 0.000 0.281 222 L C -0.854 175.987 176.870 -0.047 0.000 1.014 222 L CA -1.259 53.604 54.840 0.038 0.000 0.815 222 L CB 1.931 44.019 42.059 0.047 0.000 1.247 222 L HN 0.358 nan 8.230 nan 0.000 0.421 223 V N 2.081 121.972 119.914 -0.038 0.000 2.604 223 V HA 0.409 4.529 4.120 -0.000 0.000 0.305 223 V C -0.332 175.744 176.094 -0.029 0.000 1.043 223 V CA -0.839 61.413 62.300 -0.080 0.000 0.888 223 V CB 1.959 33.747 31.823 -0.058 0.000 0.995 223 V HN 0.897 nan 8.190 nan 0.000 0.429 224 N N 3.578 122.253 118.700 -0.041 0.000 2.478 224 N HA 0.522 5.262 4.740 -0.000 0.000 0.275 224 N C 1.007 176.502 175.510 -0.025 0.000 1.221 224 N CA -0.184 52.849 53.050 -0.028 0.000 0.979 224 N CB 1.098 39.555 38.487 -0.049 0.000 1.202 224 N HN 0.566 nan 8.380 nan 0.000 0.564 225 A N 0.367 123.172 122.820 -0.026 0.000 1.948 225 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 225 A C 1.464 179.038 177.584 -0.016 0.000 1.177 225 A CA 1.832 53.856 52.037 -0.020 0.000 0.636 225 A CB -1.389 17.596 19.000 -0.025 0.000 0.815 225 A HN 0.855 nan 8.150 nan 0.000 0.449 226 N N -1.244 117.441 118.700 -0.024 0.000 2.521 226 N HA 0.267 5.007 4.740 -0.000 0.000 0.188 226 N C 1.068 176.573 175.510 -0.009 0.000 1.146 226 N CA 0.531 53.569 53.050 -0.019 0.000 0.893 226 N CB 0.082 38.551 38.487 -0.030 0.000 0.975 226 N HN 0.669 nan 8.380 nan 0.000 0.451 227 G N 0.775 109.572 108.800 -0.004 0.000 2.199 227 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 227 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 227 G C -0.106 174.805 174.900 0.018 0.000 0.982 227 G CA -0.168 44.950 45.100 0.029 0.000 0.632 227 G HN 0.393 nan 8.290 nan 0.000 0.529 228 E N 0.477 120.647 120.200 -0.049 0.000 2.418 228 E HA 0.527 4.877 4.350 -0.000 0.000 0.261 228 E C 0.457 176.908 176.600 -0.248 0.000 1.070 228 E CA 0.512 56.836 56.400 -0.127 0.000 0.931 228 E CB 0.883 30.508 29.700 -0.124 0.000 0.954 228 E HN 0.948 nan 8.360 nan 0.000 0.439 229 A N 1.361 123.887 122.820 -0.490 0.000 2.475 229 A HA 0.645 4.965 4.320 -0.000 0.000 0.301 229 A C -0.897 176.218 177.584 -0.781 0.000 1.059 229 A CA -0.714 50.922 52.037 -0.667 0.000 0.710 229 A CB 1.365 19.683 19.000 -1.136 0.000 1.288 229 A HN 0.411 nan 8.150 nan 0.000 0.408 230 V N -1.359 118.293 119.914 -0.436 0.000 3.078 230 V HA 0.809 4.929 4.120 -0.000 0.000 0.311 230 V C -1.234 174.806 176.094 -0.090 0.000 1.138 230 V CA -1.095 61.037 62.300 -0.280 0.000 1.007 230 V CB 1.253 33.017 31.823 -0.097 0.000 1.045 230 V HN 0.764 nan 8.190 nan 0.000 0.432 231 Y N 1.328 121.766 120.300 0.231 0.000 2.335 231 Y HA 0.808 5.358 4.550 -0.000 0.000 0.323 231 Y C 0.726 176.790 175.900 0.273 0.000 1.224 231 Y CA -0.280 58.005 58.100 0.309 0.000 1.241 231 Y CB 1.537 40.252 38.460 0.426 0.000 1.235 231 Y HN 1.253 nan 8.280 nan 0.000 0.492 232 C N 0.829 120.371 119.300 0.403 0.000 3.291 232 C HA 0.826 5.285 4.460 -0.000 0.000 0.316 232 C C -1.469 173.372 174.990 -0.248 0.000 1.391 232 C CA -1.239 57.822 59.018 0.071 0.000 1.394 232 C CB 2.137 29.760 27.740 -0.195 0.000 1.744 232 C HN 0.719 nan 8.230 nan 0.000 0.461 233 K N 0.563 120.696 120.400 -0.445 0.000 2.426 233 K HA 0.678 4.998 4.320 -0.000 0.000 0.251 233 K C -1.838 174.581 176.600 -0.303 0.000 0.941 233 K CA -0.126 55.895 56.287 -0.443 0.000 0.808 233 K CB 1.918 34.077 32.500 -0.569 0.000 1.265 233 K HN 0.734 nan 8.250 nan 0.000 0.432 234 F N 1.735 121.735 119.950 0.083 0.000 2.458 234 F HA 0.403 4.929 4.527 -0.000 0.000 0.336 234 F C 0.623 176.407 175.800 -0.026 0.000 1.114 234 F CA -0.386 57.632 58.000 0.030 0.000 0.987 234 F CB 1.283 40.290 39.000 0.011 0.000 1.130 234 F HN 0.271 nan 8.300 nan 0.000 0.458 235 H N 2.880 121.965 119.070 0.025 0.000 2.771 235 H HA 0.330 4.886 4.556 -0.000 0.000 0.361 235 H C -1.571 173.772 175.328 0.024 0.000 1.108 235 H CA -0.885 55.162 56.048 -0.002 0.000 1.201 235 H CB 2.334 32.168 29.762 0.120 0.000 1.681 235 H HN 0.692 nan 8.280 nan 0.000 0.534 236 Y N 0.609 120.826 120.300 -0.139 0.000 2.488 236 Y HA 0.365 4.915 4.550 -0.000 0.000 0.330 236 Y C -0.551 175.484 175.900 0.225 0.000 1.013 236 Y CA -1.331 56.795 58.100 0.042 0.000 1.304 236 Y CB 0.586 39.012 38.460 -0.056 0.000 1.098 236 Y HN 0.140 nan 8.280 nan 0.000 0.498 237 K N 2.058 122.742 120.400 0.474 0.000 2.298 237 K HA 0.137 4.457 4.320 -0.000 0.000 0.280 237 K C 0.298 177.154 176.600 0.427 0.000 1.032 237 K CA -0.235 56.294 56.287 0.403 0.000 0.958 237 K CB 1.629 34.344 32.500 0.358 0.000 0.978 237 K HN 0.820 nan 8.250 nan 0.000 0.472 238 T N 1.360 116.067 114.554 0.254 0.000 2.888 238 T HA 0.011 4.361 4.350 -0.000 0.000 0.301 238 T C 0.478 175.054 174.700 -0.207 0.000 1.001 238 T CA -0.269 61.640 62.100 -0.319 0.000 1.147 238 T CB 0.185 68.957 68.868 -0.160 0.000 0.931 238 T HN 0.308 nan 8.240 nan 0.000 0.541 239 D N 3.495 123.683 120.400 -0.354 0.000 2.349 239 D HA 0.035 4.675 4.640 -0.000 0.000 0.215 239 D C 1.613 177.824 176.300 -0.149 0.000 1.016 239 D CA 0.563 54.469 54.000 -0.156 0.000 0.870 239 D CB 0.362 41.089 40.800 -0.121 0.000 0.917 239 D HN 0.609 nan 8.370 nan 0.000 0.524 240 Q N 0.087 119.743 119.800 -0.240 0.000 2.425 240 Q HA 0.323 4.663 4.340 -0.000 0.000 0.204 240 Q C 0.795 176.836 176.000 0.068 0.000 0.933 240 Q CA 0.285 56.010 55.803 -0.130 0.000 0.939 240 Q CB 0.657 29.185 28.738 -0.351 0.000 1.044 240 Q HN 0.188 nan 8.270 nan 0.000 0.513 241 G N 0.398 109.224 108.800 0.045 0.000 2.716 241 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 241 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 241 G C -0.847 174.158 174.900 0.175 0.000 1.337 241 G CA -0.936 44.224 45.100 0.099 0.000 0.829 241 G HN 0.096 nan 8.290 nan 0.000 0.599 242 I N 1.319 121.960 120.570 0.118 0.000 2.556 242 I HA 0.477 4.647 4.170 -0.000 0.000 0.284 242 I C 0.717 176.859 176.117 0.041 0.000 1.114 242 I CA 0.692 62.062 61.300 0.117 0.000 1.418 242 I CB 1.329 39.387 38.000 0.097 0.000 1.394 242 I HN 0.620 nan 8.210 nan 0.000 0.552 243 K N 5.424 125.834 120.400 0.016 0.000 2.513 243 K HA 0.496 4.815 4.320 -0.000 0.000 0.251 243 K C -1.413 175.167 176.600 -0.035 0.000 0.939 243 K CA -0.730 55.486 56.287 -0.118 0.000 0.793 243 K CB 1.092 33.296 32.500 -0.494 0.000 1.241 243 K HN 0.529 nan 8.250 nan 0.000 0.431 244 N N 3.013 121.696 118.700 -0.028 0.000 2.381 244 N HA 0.476 5.216 4.740 -0.000 0.000 0.294 244 N C -1.026 174.472 175.510 -0.019 0.000 1.216 244 N CA -0.597 52.453 53.050 0.000 0.000 0.803 244 N CB 1.436 39.934 38.487 0.017 0.000 1.372 244 N HN 0.404 nan 8.380 nan 0.000 0.500 245 L N 0.985 122.198 121.223 -0.017 0.000 2.289 245 L HA 0.334 4.674 4.340 -0.000 0.000 0.285 245 L C 0.845 177.700 176.870 -0.025 0.000 1.049 245 L CA -0.705 54.110 54.840 -0.042 0.000 0.804 245 L CB 1.239 43.250 42.059 -0.081 0.000 1.195 245 L HN 0.611 nan 8.230 nan 0.000 0.428 246 S N 1.739 117.423 115.700 -0.026 0.000 2.572 246 S HA 0.095 4.565 4.470 -0.000 0.000 0.279 246 S C 1.272 175.867 174.600 -0.009 0.000 1.341 246 S CA -0.908 57.286 58.200 -0.009 0.000 1.043 246 S CB 1.396 64.590 63.200 -0.010 0.000 0.887 246 S HN 0.360 nan 8.310 nan 0.000 0.516 247 V N 2.671 122.594 119.914 0.014 0.000 2.317 247 V HA -0.236 3.883 4.120 -0.000 0.000 0.251 247 V C 2.636 178.732 176.094 0.003 0.000 1.065 247 V CA 2.481 64.793 62.300 0.020 0.000 1.049 247 V CB -1.282 30.570 31.823 0.048 0.000 0.651 247 V HN 0.944 nan 8.190 nan 0.000 0.450 248 E N -0.155 120.046 120.200 0.001 0.000 2.051 248 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 248 E C 2.010 178.594 176.600 -0.027 0.000 0.991 248 E CA 1.526 57.922 56.400 -0.007 0.000 0.799 248 E CB -0.246 29.453 29.700 -0.002 0.000 0.748 248 E HN 0.608 nan 8.360 nan 0.000 0.449 249 D N 0.549 120.924 120.400 -0.041 0.000 2.117 249 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 249 D C 1.899 178.135 176.300 -0.107 0.000 0.982 249 D CA 1.259 55.215 54.000 -0.073 0.000 0.828 249 D CB -0.373 40.377 40.800 -0.083 0.000 0.967 249 D HN 0.163 nan 8.370 nan 0.000 0.464 250 A N 1.195 123.958 122.820 -0.095 0.000 1.883 250 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 250 A C 2.331 179.868 177.584 -0.078 0.000 1.186 250 A CA 2.565 54.539 52.037 -0.106 0.000 0.624 250 A CB -0.900 18.063 19.000 -0.062 0.000 0.822 250 A HN 0.245 nan 8.150 nan 0.000 0.444 251 A N -0.629 122.164 122.820 -0.045 0.000 1.883 251 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 251 A C 2.291 179.854 177.584 -0.035 0.000 1.186 251 A CA 1.829 53.849 52.037 -0.028 0.000 0.624 251 A CB -0.539 18.455 19.000 -0.010 0.000 0.822 251 A HN 0.549 nan 8.150 nan 0.000 0.444 252 R N -0.515 119.959 120.500 -0.043 0.000 2.073 252 R HA -0.070 4.269 4.340 -0.000 0.000 0.234 252 R C 2.076 178.345 176.300 -0.051 0.000 1.134 252 R CA 1.620 57.696 56.100 -0.039 0.000 0.952 252 R CB -0.413 29.864 30.300 -0.039 0.000 0.850 252 R HN 0.539 nan 8.270 nan 0.000 0.433 253 L N 0.676 121.843 121.223 -0.094 0.000 2.083 253 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 253 L C 2.509 179.341 176.870 -0.062 0.000 1.083 253 L CA 1.523 56.294 54.840 -0.116 0.000 0.752 253 L CB -0.455 41.424 42.059 -0.300 0.000 0.899 253 L HN 0.344 nan 8.230 nan 0.000 0.433 254 S N -1.261 114.405 115.700 -0.057 0.000 2.465 254 S HA -0.230 4.240 4.470 -0.000 0.000 0.241 254 S C 1.863 176.459 174.600 -0.007 0.000 1.000 254 S CA 1.061 59.248 58.200 -0.023 0.000 0.964 254 S CB -0.141 63.046 63.200 -0.021 0.000 0.763 254 S HN 0.469 nan 8.310 nan 0.000 0.512 255 Q N 1.105 120.899 119.800 -0.011 0.000 2.387 255 Q HA 0.120 4.460 4.340 -0.000 0.000 0.208 255 Q C 1.776 177.779 176.000 0.004 0.000 0.935 255 Q CA 1.002 56.803 55.803 -0.002 0.000 0.891 255 Q CB -0.114 28.621 28.738 -0.005 0.000 1.007 255 Q HN 0.771 nan 8.270 nan 0.000 0.548 256 E N 0.411 120.613 120.200 0.003 0.000 2.208 256 E HA -0.078 4.271 4.350 -0.000 0.000 0.193 256 E C -0.178 176.442 176.600 0.033 0.000 0.988 256 E CA 0.743 57.153 56.400 0.015 0.000 0.828 256 E CB 0.352 30.059 29.700 0.013 0.000 0.763 256 E HN 0.073 nan 8.360 nan 0.000 0.478 257 D N -1.181 119.246 120.400 0.045 0.000 2.351 257 D HA 0.114 4.754 4.640 -0.000 0.000 0.235 257 D C -2.391 173.960 176.300 0.085 0.000 1.331 257 D CA -1.815 52.231 54.000 0.077 0.000 0.959 257 D CB 1.151 42.034 40.800 0.138 0.000 1.432 257 D HN -0.269 nan 8.370 nan 0.000 0.544 258 P HA 0.003 nan 4.420 nan 0.000 0.222 258 P C 0.185 177.530 177.300 0.074 0.000 1.147 258 P CA 0.817 63.947 63.100 0.051 0.000 0.790 258 P CB 0.366 32.084 31.700 0.031 0.000 0.780 259 D N -2.762 117.684 120.400 0.077 0.000 2.388 259 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 259 D C 1.275 177.635 176.300 0.100 0.000 1.133 259 D CA -0.357 53.687 54.000 0.074 0.000 0.831 259 D CB -0.626 40.186 40.800 0.020 0.000 0.962 259 D HN 0.182 nan 8.370 nan 0.000 0.502 260 Y N 2.143 122.442 120.300 -0.003 0.000 2.133 260 Y HA -0.341 4.209 4.550 -0.000 0.000 0.279 260 Y C 2.270 178.153 175.900 -0.028 0.000 1.209 260 Y CA 2.355 60.447 58.100 -0.013 0.000 1.152 260 Y CB -0.224 38.221 38.460 -0.024 0.000 0.961 260 Y HN 0.086 nan 8.280 nan 0.000 0.512 261 G N -0.019 108.801 108.800 0.034 0.000 2.402 261 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 261 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 261 G C 1.653 176.545 174.900 -0.015 0.000 1.162 261 G CA 1.223 46.227 45.100 -0.160 0.000 0.777 261 G HN 0.520 nan 8.290 nan 0.000 0.539 262 I N 0.046 120.675 120.570 0.099 0.000 2.163 262 I HA -0.136 4.034 4.170 -0.000 0.000 0.240 262 I C 2.820 178.999 176.117 0.103 0.000 1.081 262 I CA 1.288 62.679 61.300 0.152 0.000 1.353 262 I CB -0.313 37.746 38.000 0.099 0.000 1.054 262 I HN 0.116 nan 8.210 nan 0.000 0.407 263 R N 1.146 121.652 120.500 0.010 0.000 2.083 263 R HA -0.276 4.064 4.340 -0.000 0.000 0.237 263 R C 2.012 178.303 176.300 -0.016 0.000 1.137 263 R CA 2.570 58.666 56.100 -0.006 0.000 0.951 263 R CB -0.406 29.860 30.300 -0.056 0.000 0.851 263 R HN 0.358 nan 8.270 nan 0.000 0.434 264 D N -0.173 120.115 120.400 -0.186 0.000 2.106 264 D HA -0.227 4.413 4.640 -0.000 0.000 0.191 264 D C 1.936 178.207 176.300 -0.048 0.000 0.997 264 D CA 1.509 55.379 54.000 -0.216 0.000 0.834 264 D CB -0.108 40.434 40.800 -0.430 0.000 0.956 264 D HN 0.213 nan 8.370 nan 0.000 0.448 265 L N -0.496 120.737 121.223 0.018 0.000 1.989 265 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 265 L C 2.091 179.058 176.870 0.161 0.000 1.071 265 L CA 1.735 56.637 54.840 0.104 0.000 0.749 265 L CB -1.142 41.035 42.059 0.197 0.000 0.890 265 L HN 0.209 nan 8.230 nan 0.000 0.431 266 F N 0.529 120.529 119.950 0.084 0.000 2.126 266 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 266 F C 2.314 178.165 175.800 0.086 0.000 1.096 266 F CA 2.057 60.121 58.000 0.108 0.000 1.255 266 F CB -0.346 38.717 39.000 0.104 0.000 0.997 266 F HN 0.279 nan 8.300 nan 0.000 0.479 267 N N 0.437 119.293 118.700 0.259 0.000 2.270 267 N HA -0.084 4.655 4.740 -0.000 0.000 0.181 267 N C 1.966 177.493 175.510 0.029 0.000 1.016 267 N CA 1.134 54.274 53.050 0.150 0.000 0.870 267 N CB -0.648 37.913 38.487 0.123 0.000 0.979 267 N HN 0.406 nan 8.380 nan 0.000 0.431 268 A N 1.300 124.126 122.820 0.011 0.000 1.877 268 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 268 A C 2.286 179.836 177.584 -0.056 0.000 1.186 268 A CA 0.920 52.938 52.037 -0.031 0.000 0.620 268 A CB -0.562 18.424 19.000 -0.023 0.000 0.822 268 A HN 0.182 nan 8.150 nan 0.000 0.443 269 I N -0.439 120.128 120.570 -0.005 0.000 2.286 269 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 269 I C 2.929 179.040 176.117 -0.009 0.000 1.104 269 I CA 0.881 62.227 61.300 0.076 0.000 1.397 269 I CB -0.372 37.685 38.000 0.095 0.000 1.072 269 I HN 0.337 nan 8.210 nan 0.000 0.417 270 A N 0.752 123.490 122.820 -0.137 0.000 2.024 270 A HA -0.217 4.102 4.320 -0.000 0.000 0.220 270 A C 2.221 179.782 177.584 -0.038 0.000 1.164 270 A CA 2.365 54.334 52.037 -0.114 0.000 0.643 270 A CB -1.022 17.925 19.000 -0.089 0.000 0.806 270 A HN 0.543 nan 8.150 nan 0.000 0.451 271 T N -5.234 109.281 114.554 -0.065 0.000 3.069 271 T HA 0.443 4.793 4.350 -0.000 0.000 0.252 271 T C 1.298 175.883 174.700 -0.192 0.000 1.053 271 T CA 0.967 63.018 62.100 -0.081 0.000 0.964 271 T CB 0.323 69.160 68.868 -0.053 0.000 1.005 271 T HN 1.657 nan 8.240 nan 0.000 0.532 272 G N 1.915 110.501 108.800 -0.357 0.000 2.175 272 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 272 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 272 G C 0.165 174.435 174.900 -1.050 0.000 0.982 272 G CA -0.077 44.500 45.100 -0.871 0.000 0.641 272 G HN 0.582 nan 8.290 nan 0.000 0.527 273 K N 1.290 121.375 120.400 -0.526 0.000 2.480 273 K HA 0.347 4.667 4.320 -0.000 0.000 0.241 273 K C -0.204 176.257 176.600 -0.231 0.000 1.261 273 K CA -0.336 55.759 56.287 -0.320 0.000 1.193 273 K CB -0.318 32.084 32.500 -0.163 0.000 1.598 273 K HN 0.522 nan 8.250 nan 0.000 0.278 274 Y N 2.817 123.117 120.300 -0.000 0.000 2.569 274 Y HA 0.027 4.577 4.550 -0.000 0.000 0.332 274 Y C -1.400 174.493 175.900 -0.010 0.000 1.120 274 Y CA -2.163 55.947 58.100 0.016 0.000 1.416 274 Y CB -0.188 38.298 38.460 0.043 0.000 1.210 274 Y HN 0.364 nan 8.280 nan 0.000 0.528 275 P HA 0.194 nan 4.420 nan 0.000 0.277 275 P C -0.829 176.485 177.300 0.024 0.000 1.240 275 P CA -0.382 62.688 63.100 -0.050 0.000 0.798 275 P CB 1.748 33.412 31.700 -0.061 0.000 0.979 276 S N 0.262 115.824 115.700 -0.230 0.000 2.579 276 S HA 0.676 5.146 4.470 -0.000 0.000 0.272 276 S C -1.608 172.936 174.600 -0.093 0.000 1.141 276 S CA -0.821 57.415 58.200 0.061 0.000 0.843 276 S CB 1.539 64.770 63.200 0.052 0.000 1.122 276 S HN 0.549 nan 8.310 nan 0.000 0.468 277 W N 0.620 122.023 121.300 0.172 0.000 2.936 277 W HA 0.433 5.093 4.660 0.000 0.000 0.338 277 W C -0.916 175.723 176.519 0.201 0.000 1.121 277 W CA -0.748 56.735 57.345 0.229 0.000 1.209 277 W CB 2.571 32.237 29.460 0.344 0.000 1.420 277 W HN 0.639 nan 8.180 nan 0.000 0.516 278 T N 2.727 117.510 114.554 0.381 0.000 2.771 278 T HA 0.237 4.587 4.350 -0.000 0.000 0.291 278 T C -0.747 174.069 174.700 0.193 0.000 0.954 278 T CA -0.152 62.047 62.100 0.164 0.000 1.045 278 T CB 0.581 69.425 68.868 -0.039 0.000 0.917 278 T HN 0.140 nan 8.240 nan 0.000 0.484 279 F N 4.516 124.491 119.950 0.041 0.000 2.411 279 F HA 0.501 5.028 4.527 -0.000 0.000 0.355 279 F C -0.735 175.110 175.800 0.075 0.000 1.117 279 F CA -0.576 57.546 58.000 0.205 0.000 1.139 279 F CB 0.255 39.485 39.000 0.383 0.000 1.120 279 F HN 0.545 nan 8.300 nan 0.000 0.493 280 Y N 5.498 125.825 120.300 0.044 0.000 2.662 280 Y HA 0.699 5.248 4.550 -0.000 0.000 0.335 280 Y C -0.157 175.742 175.900 -0.002 0.000 1.066 280 Y CA -1.397 56.736 58.100 0.055 0.000 1.116 280 Y CB 1.595 40.052 38.460 -0.005 0.000 1.308 280 Y HN 0.436 nan 8.280 nan 0.000 0.502 281 I N -1.420 119.269 120.570 0.199 0.000 2.994 281 I HA 0.637 4.807 4.170 -0.000 0.000 0.306 281 I C -1.643 174.484 176.117 0.016 0.000 1.195 281 I CA -1.187 60.151 61.300 0.062 0.000 1.001 281 I CB 2.613 40.601 38.000 -0.020 0.000 1.244 281 I HN 0.511 nan 8.210 nan 0.000 0.437 282 Q N 2.420 122.223 119.800 0.005 0.000 2.337 282 Q HA 0.704 5.044 4.340 -0.000 0.000 0.266 282 Q C -1.413 174.695 176.000 0.181 0.000 1.023 282 Q CA -0.970 54.913 55.803 0.133 0.000 0.829 282 Q CB 3.241 32.128 28.738 0.248 0.000 1.306 282 Q HN 0.588 nan 8.270 nan 0.000 0.449 283 V N 3.056 123.070 119.914 0.166 0.000 2.628 283 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 283 V C -0.443 175.748 176.094 0.161 0.000 1.045 283 V CA -0.698 61.630 62.300 0.048 0.000 0.905 283 V CB 1.791 33.412 31.823 -0.335 0.000 0.997 283 V HN 0.789 nan 8.190 nan 0.000 0.436 284 M N 4.661 124.305 119.600 0.074 0.000 2.149 284 M HA 0.403 4.883 4.480 -0.000 0.000 0.273 284 M C -0.034 176.309 176.300 0.073 0.000 0.972 284 M CA -0.321 54.947 55.300 -0.055 0.000 0.984 284 M CB 1.908 34.075 32.600 -0.721 0.000 1.699 284 M HN 0.919 nan 8.290 nan 0.000 0.462 285 T N 1.055 115.663 114.554 0.090 0.000 2.802 285 T HA 0.214 4.564 4.350 -0.000 0.000 0.305 285 T C 0.936 175.784 174.700 0.247 0.000 1.053 285 T CA -0.371 61.788 62.100 0.097 0.000 1.058 285 T CB 0.457 69.364 68.868 0.065 0.000 0.988 285 T HN 0.514 nan 8.240 nan 0.000 0.539 286 F N 1.558 121.493 119.950 -0.026 0.000 2.161 286 F HA -0.051 4.476 4.527 -0.001 0.000 0.300 286 F C 2.245 178.068 175.800 0.039 0.000 1.089 286 F CA 1.028 59.038 58.000 0.016 0.000 1.282 286 F CB -1.743 37.245 39.000 -0.021 0.000 1.010 286 F HN 0.638 nan 8.300 nan 0.000 0.485 287 N N -0.294 118.536 118.700 0.217 0.000 2.106 287 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 287 N C 1.771 177.339 175.510 0.096 0.000 1.029 287 N CA 1.151 54.276 53.050 0.124 0.000 0.848 287 N CB -0.298 38.241 38.487 0.086 0.000 1.007 287 N HN 0.338 nan 8.380 nan 0.000 0.423 288 Q N 0.396 120.256 119.800 0.099 0.000 2.061 288 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 288 Q C 2.271 178.306 176.000 0.058 0.000 0.984 288 Q CA 1.480 57.338 55.803 0.092 0.000 0.846 288 Q CB -0.231 28.582 28.738 0.125 0.000 0.902 288 Q HN 0.447 nan 8.270 nan 0.000 0.421 289 A N 1.181 124.008 122.820 0.011 0.000 1.917 289 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 289 A C 1.915 179.485 177.584 -0.023 0.000 1.182 289 A CA 1.876 53.858 52.037 -0.092 0.000 0.633 289 A CB -0.637 18.368 19.000 0.010 0.000 0.819 289 A HN 0.399 nan 8.150 nan 0.000 0.448 290 E N -0.201 120.015 120.200 0.028 0.000 2.130 290 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 290 E C 1.680 178.291 176.600 0.019 0.000 0.998 290 E CA 2.028 58.441 56.400 0.020 0.000 0.806 290 E CB -0.211 29.510 29.700 0.035 0.000 0.738 290 E HN 0.705 nan 8.360 nan 0.000 0.459 291 T N -2.352 112.226 114.554 0.041 0.000 3.134 291 T HA 0.156 4.506 4.350 -0.000 0.000 0.260 291 T C 0.297 175.032 174.700 0.058 0.000 1.027 291 T CA -0.598 61.520 62.100 0.030 0.000 0.913 291 T CB -0.543 68.339 68.868 0.025 0.000 1.046 291 T HN 0.147 nan 8.240 nan 0.000 0.553 292 F N 3.220 123.110 119.950 -0.100 0.000 2.538 292 F HA 0.272 4.799 4.527 -0.000 0.000 0.371 292 F C -1.409 174.313 175.800 -0.131 0.000 1.087 292 F CA -2.306 55.631 58.000 -0.105 0.000 1.250 292 F CB 1.143 40.019 39.000 -0.207 0.000 1.110 292 F HN -0.013 nan 8.300 nan 0.000 0.570 293 P HA -0.135 nan 4.420 nan 0.000 0.222 293 P C -0.764 175.839 177.300 -1.162 0.000 1.142 293 P CA 1.580 64.143 63.100 -0.895 0.000 0.788 293 P CB 0.008 31.109 31.700 -0.998 0.000 0.767 294 F N -3.118 116.417 119.950 -0.691 0.000 2.814 294 F HA 0.370 4.896 4.527 -0.000 0.000 0.353 294 F C 0.607 176.418 175.800 0.019 0.000 1.177 294 F CA -1.406 56.432 58.000 -0.269 0.000 1.036 294 F CB -0.036 38.836 39.000 -0.214 0.000 1.455 294 F HN -0.490 nan 8.300 nan 0.000 0.520 295 N N 3.317 122.179 118.700 0.270 0.000 2.402 295 N HA 0.190 4.930 4.740 -0.000 0.000 0.252 295 N C -1.781 173.770 175.510 0.068 0.000 1.118 295 N CA -2.382 50.727 53.050 0.099 0.000 0.945 295 N CB 0.710 39.244 38.487 0.078 0.000 1.147 295 N HN 0.166 nan 8.380 nan 0.000 0.495 296 P HA -0.102 nan 4.420 nan 0.000 0.229 296 P C -0.058 176.994 177.300 -0.413 0.000 1.150 296 P CA 1.016 63.809 63.100 -0.512 0.000 0.765 296 P CB -0.059 31.005 31.700 -1.060 0.000 0.783 297 F N -1.050 118.909 119.950 0.015 0.000 2.682 297 F HA 0.262 4.789 4.527 0.000 0.000 0.308 297 F C 0.763 176.555 175.800 -0.012 0.000 1.093 297 F CA -1.477 56.492 58.000 -0.051 0.000 1.244 297 F CB -0.591 38.336 39.000 -0.122 0.000 1.052 297 F HN -0.172 nan 8.300 nan 0.000 0.573 298 D N 1.602 122.079 120.400 0.128 0.000 2.339 298 D HA 0.024 4.664 4.640 -0.000 0.000 0.256 298 D C 1.200 177.521 176.300 0.035 0.000 1.214 298 D CA 0.065 54.118 54.000 0.089 0.000 0.877 298 D CB 1.031 41.881 40.800 0.084 0.000 1.111 298 D HN 0.097 nan 8.370 nan 0.000 0.478 299 L N 3.984 125.219 121.223 0.020 0.000 2.450 299 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 299 L C 1.938 178.744 176.870 -0.107 0.000 1.149 299 L CA 1.677 56.484 54.840 -0.056 0.000 0.816 299 L CB -0.725 41.317 42.059 -0.027 0.000 0.932 299 L HN 0.648 nan 8.230 nan 0.000 0.449 300 T N -4.209 110.302 114.554 -0.072 0.000 3.144 300 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 300 T C 0.670 175.331 174.700 -0.066 0.000 1.089 300 T CA -0.273 61.763 62.100 -0.106 0.000 0.989 300 T CB -0.019 68.808 68.868 -0.067 0.000 0.992 300 T HN -0.002 nan 8.240 nan 0.000 0.540 301 K N 1.681 122.024 120.400 -0.095 0.000 2.340 301 K HA 0.698 5.018 4.320 -0.000 0.000 0.244 301 K C -0.342 176.200 176.600 -0.097 0.000 0.973 301 K CA -0.792 55.430 56.287 -0.109 0.000 0.828 301 K CB 2.564 34.992 32.500 -0.121 0.000 1.226 301 K HN 0.175 nan 8.250 nan 0.000 0.437 302 V N -2.384 117.500 119.914 -0.049 0.000 3.113 302 V HA 0.632 4.752 4.120 -0.000 0.000 0.316 302 V C -1.265 174.989 176.094 0.268 0.000 1.125 302 V CA -1.032 61.244 62.300 -0.040 0.000 1.026 302 V CB 1.805 33.570 31.823 -0.096 0.000 1.080 302 V HN 0.573 nan 8.190 nan 0.000 0.444 303 W N 1.102 122.362 121.300 -0.067 0.000 2.291 303 W HA 0.595 5.255 4.660 -0.001 0.000 0.312 303 W C -2.563 173.995 176.519 0.065 0.000 1.061 303 W CA -2.862 54.475 57.345 -0.013 0.000 1.296 303 W CB 0.008 29.278 29.460 -0.317 0.000 1.223 303 W HN 0.411 nan 8.180 nan 0.000 0.421 304 P HA -0.065 nan 4.420 nan 0.000 0.260 304 P C 0.807 178.250 177.300 0.238 0.000 1.185 304 P CA 0.791 64.021 63.100 0.217 0.000 0.763 304 P CB 0.443 32.305 31.700 0.270 0.000 0.776 305 H N 2.021 121.224 119.070 0.222 0.000 2.353 305 H HA -0.251 4.305 4.556 -0.000 0.000 0.298 305 H C 1.987 177.379 175.328 0.107 0.000 1.103 305 H CA 1.695 57.830 56.048 0.145 0.000 1.293 305 H CB 0.050 29.856 29.762 0.074 0.000 1.372 305 H HN 0.307 nan 8.280 nan 0.000 0.501 306 K N 0.867 121.398 120.400 0.218 0.000 2.074 306 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 306 K C 1.275 177.906 176.600 0.052 0.000 1.048 306 K CA 2.110 58.468 56.287 0.118 0.000 0.926 306 K CB -0.059 32.503 32.500 0.103 0.000 0.713 306 K HN 0.377 nan 8.250 nan 0.000 0.444 307 D N -1.675 118.757 120.400 0.053 0.000 2.240 307 D HA -0.048 4.592 4.640 -0.000 0.000 0.206 307 D C -0.143 175.843 176.300 -0.523 0.000 0.963 307 D CA 0.786 54.673 54.000 -0.187 0.000 0.863 307 D CB 0.289 41.027 40.800 -0.103 0.000 0.973 307 D HN 0.216 nan 8.370 nan 0.000 0.501 308 Y N 0.465 120.840 120.300 0.126 0.000 2.681 308 Y HA 0.323 4.873 4.550 -0.000 0.000 0.347 308 Y C -2.438 173.548 175.900 0.143 0.000 1.029 308 Y CA -2.301 55.876 58.100 0.128 0.000 1.279 308 Y CB 1.549 40.125 38.460 0.194 0.000 1.096 308 Y HN -0.222 nan 8.280 nan 0.000 0.580 309 P HA 0.015 nan 4.420 nan 0.000 0.269 309 P C -0.204 177.136 177.300 0.067 0.000 1.209 309 P CA -0.003 63.157 63.100 0.099 0.000 0.776 309 P CB 0.910 32.641 31.700 0.052 0.000 0.876 310 L N 3.577 124.776 121.223 -0.040 0.000 2.410 310 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 310 L C 0.399 177.282 176.870 0.022 0.000 1.144 310 L CA 0.094 54.856 54.840 -0.130 0.000 0.863 310 L CB -0.087 41.683 42.059 -0.482 0.000 1.140 310 L HN 0.255 nan 8.230 nan 0.000 0.463 311 I N 6.243 126.877 120.570 0.108 0.000 2.359 311 I HA 0.255 4.425 4.170 -0.000 0.000 0.284 311 I C -1.940 174.301 176.117 0.207 0.000 1.018 311 I CA -2.085 59.301 61.300 0.143 0.000 1.173 311 I CB 1.430 39.492 38.000 0.103 0.000 1.326 311 I HN 0.352 nan 8.210 nan 0.000 0.462 312 P HA -0.024 nan 4.420 nan 0.000 0.264 312 P C 0.266 177.493 177.300 -0.122 0.000 1.183 312 P CA 0.256 63.247 63.100 -0.182 0.000 0.763 312 P CB 1.959 33.305 31.700 -0.589 0.000 0.807 313 V N 1.878 121.843 119.914 0.086 0.000 3.058 313 V HA 0.420 4.540 4.120 -0.000 0.000 0.233 313 V C 1.106 177.431 176.094 0.385 0.000 1.255 313 V CA 1.377 63.873 62.300 0.327 0.000 1.267 313 V CB 0.232 32.392 31.823 0.561 0.000 1.049 313 V HN 0.874 nan 8.190 nan 0.000 0.486 314 G N -0.304 108.715 108.800 0.366 0.000 2.435 314 G HA2 0.455 4.415 3.960 -0.000 0.000 0.296 314 G HA3 0.455 4.415 3.960 -0.000 0.000 0.296 314 G C -1.995 173.000 174.900 0.159 0.000 1.240 314 G CA -0.473 44.726 45.100 0.166 0.000 0.872 314 G HN -0.062 nan 8.290 nan 0.000 0.480 315 K N 0.037 120.429 120.400 -0.013 0.000 2.371 315 K HA 0.614 4.934 4.320 -0.000 0.000 0.251 315 K C -1.223 175.425 176.600 0.080 0.000 0.934 315 K CA -0.573 55.761 56.287 0.078 0.000 0.798 315 K CB 2.401 34.912 32.500 0.018 0.000 1.204 315 K HN 0.364 nan 8.250 nan 0.000 0.427 316 L N 2.425 123.765 121.223 0.196 0.000 2.305 316 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 316 L C -0.695 176.229 176.870 0.090 0.000 1.013 316 L CA -1.094 53.828 54.840 0.137 0.000 0.819 316 L CB 1.784 43.948 42.059 0.174 0.000 1.227 316 L HN 0.150 nan 8.230 nan 0.000 0.417 317 V N 5.122 124.914 119.914 -0.203 0.000 2.577 317 V HA 0.423 4.543 4.120 -0.000 0.000 0.303 317 V C -0.250 175.777 176.094 -0.112 0.000 1.042 317 V CA -0.464 61.711 62.300 -0.208 0.000 0.872 317 V CB 2.305 33.768 31.823 -0.601 0.000 0.998 317 V HN 0.522 nan 8.190 nan 0.000 0.423 318 L N 5.299 126.586 121.223 0.107 0.000 2.277 318 L HA 0.504 4.844 4.340 -0.000 0.000 0.284 318 L C 0.371 177.309 176.870 0.113 0.000 1.028 318 L CA -0.337 54.584 54.840 0.135 0.000 0.835 318 L CB 1.262 43.470 42.059 0.249 0.000 1.215 318 L HN 0.877 nan 8.230 nan 0.000 0.425 319 N N 2.088 120.777 118.700 -0.019 0.000 2.159 319 N HA 0.092 4.832 4.740 -0.000 0.000 0.217 319 N C 0.074 175.523 175.510 -0.101 0.000 1.223 319 N CA -0.404 52.455 53.050 -0.319 0.000 0.896 319 N CB 0.628 38.679 38.487 -0.726 0.000 1.064 319 N HN 0.423 nan 8.380 nan 0.000 0.518 320 R N 0.420 120.968 120.500 0.079 0.000 2.514 320 R HA 0.359 4.699 4.340 -0.000 0.000 0.296 320 R C -1.238 175.205 176.300 0.239 0.000 1.012 320 R CA -0.558 55.621 56.100 0.132 0.000 0.897 320 R CB 0.861 31.242 30.300 0.135 0.000 1.184 320 R HN 0.006 nan 8.270 nan 0.000 0.440 321 N N 3.387 122.163 118.700 0.126 0.000 2.483 321 N HA 0.304 5.043 4.740 -0.000 0.000 0.269 321 N C -2.394 173.326 175.510 0.350 0.000 1.209 321 N CA -1.468 51.676 53.050 0.157 0.000 0.969 321 N CB 0.894 39.231 38.487 -0.250 0.000 1.173 321 N HN 0.367 nan 8.380 nan 0.000 0.475 322 P HA 0.117 nan 4.420 nan 0.000 0.274 322 P C 0.512 178.022 177.300 0.350 0.000 1.246 322 P CA -0.342 63.050 63.100 0.486 0.000 0.795 322 P CB 0.868 32.856 31.700 0.479 0.000 1.006 323 V N -0.611 119.440 119.914 0.228 0.000 3.085 323 V HA 0.116 4.235 4.120 -0.000 0.000 0.245 323 V C 0.724 176.941 176.094 0.206 0.000 1.114 323 V CA 0.993 63.417 62.300 0.206 0.000 1.108 323 V CB -0.461 31.435 31.823 0.121 0.000 0.798 323 V HN 0.622 nan 8.190 nan 0.000 0.471 324 N N -0.907 117.912 118.700 0.198 0.000 2.549 324 N HA 0.132 4.872 4.740 -0.000 0.000 0.281 324 N C 0.211 175.876 175.510 0.258 0.000 1.084 324 N CA -0.367 52.806 53.050 0.207 0.000 0.862 324 N CB 1.781 40.365 38.487 0.161 0.000 1.333 324 N HN 0.208 nan 8.380 nan 0.000 0.523 325 Y N 4.373 124.780 120.300 0.179 0.000 2.114 325 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 325 Y C 1.737 177.744 175.900 0.178 0.000 1.165 325 Y CA 2.001 60.209 58.100 0.179 0.000 1.148 325 Y CB -0.181 38.368 38.460 0.148 0.000 0.972 325 Y HN 0.648 nan 8.280 nan 0.000 0.504 326 F N 0.312 120.395 119.950 0.223 0.000 2.095 326 F HA -0.226 4.300 4.527 -0.000 0.000 0.298 326 F C 2.339 178.153 175.800 0.023 0.000 1.104 326 F CA 1.942 60.015 58.000 0.122 0.000 1.232 326 F CB -0.814 38.267 39.000 0.135 0.000 0.987 326 F HN 0.087 nan 8.300 nan 0.000 0.475 327 A N -0.450 122.517 122.820 0.245 0.000 1.930 327 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 327 A C 2.039 179.628 177.584 0.009 0.000 1.175 327 A CA 1.868 53.981 52.037 0.127 0.000 0.627 327 A CB -0.618 18.487 19.000 0.174 0.000 0.815 327 A HN 0.586 nan 8.150 nan 0.000 0.443 328 E N -1.332 118.886 120.200 0.029 0.000 2.340 328 E HA 0.099 4.449 4.350 -0.000 0.000 0.198 328 E C 1.485 178.084 176.600 -0.000 0.000 0.961 328 E CA 0.626 57.090 56.400 0.108 0.000 0.905 328 E CB 0.437 30.309 29.700 0.286 0.000 0.884 328 E HN 0.404 nan 8.360 nan 0.000 0.491 329 V N 0.244 120.000 119.914 -0.263 0.000 2.840 329 V HA -0.054 4.066 4.120 -0.000 0.000 0.234 329 V C 2.035 177.863 176.094 -0.443 0.000 1.159 329 V CA 0.800 62.828 62.300 -0.454 0.000 1.194 329 V CB -0.023 31.254 31.823 -0.909 0.000 0.971 329 V HN 0.017 nan 8.190 nan 0.000 0.494 330 E N 1.165 121.033 120.200 -0.554 0.000 2.038 330 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 330 E C 2.141 178.522 176.600 -0.366 0.000 1.000 330 E CA 1.864 58.045 56.400 -0.365 0.000 0.803 330 E CB -0.296 29.191 29.700 -0.356 0.000 0.750 330 E HN 0.602 nan 8.360 nan 0.000 0.448 331 Q N -0.254 119.263 119.800 -0.472 0.000 2.488 331 Q HA 0.029 4.368 4.340 -0.000 0.000 0.211 331 Q C 0.554 176.405 176.000 -0.249 0.000 0.967 331 Q CA -0.041 55.546 55.803 -0.360 0.000 0.926 331 Q CB -0.078 28.456 28.738 -0.339 0.000 0.992 331 Q HN 0.395 nan 8.270 nan 0.000 0.506 332 I N 0.863 121.288 120.570 -0.242 0.000 2.754 332 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 332 I C -0.551 175.348 176.117 -0.362 0.000 1.166 332 I CA -0.121 61.001 61.300 -0.297 0.000 1.417 332 I CB 0.572 38.387 38.000 -0.309 0.000 1.382 332 I HN -0.038 nan 8.210 nan 0.000 0.588 333 A N 7.455 129.936 122.820 -0.564 0.000 2.381 333 A HA 0.692 5.012 4.320 -0.000 0.000 0.299 333 A C -1.374 175.818 177.584 -0.654 0.000 1.049 333 A CA -0.408 51.211 52.037 -0.696 0.000 0.715 333 A CB 0.685 19.030 19.000 -1.092 0.000 1.222 333 A HN 0.566 nan 8.150 nan 0.000 0.428 334 F N 1.344 121.263 119.950 -0.052 0.000 2.495 334 F HA 0.508 5.035 4.527 -0.000 0.000 0.327 334 F C -0.237 175.687 175.800 0.207 0.000 1.103 334 F CA -0.381 57.627 58.000 0.014 0.000 0.949 334 F CB 2.365 41.325 39.000 -0.067 0.000 1.142 334 F HN 0.428 nan 8.300 nan 0.000 0.457 335 D N 4.434 124.977 120.400 0.238 0.000 2.505 335 D HA 0.224 4.864 4.640 -0.000 0.000 0.250 335 D C -2.112 174.184 176.300 -0.006 0.000 1.164 335 D CA -1.428 52.666 54.000 0.157 0.000 0.870 335 D CB 2.174 43.114 40.800 0.233 0.000 1.160 335 D HN 0.142 nan 8.370 nan 0.000 0.549 336 P HA -0.169 nan 4.420 nan 0.000 0.218 336 P C 1.434 178.750 177.300 0.026 0.000 1.146 336 P CA 1.107 64.134 63.100 -0.122 0.000 0.813 336 P CB 0.255 31.785 31.700 -0.284 0.000 0.778 337 S N -2.137 113.575 115.700 0.020 0.000 2.547 337 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 337 S C 0.771 175.425 174.600 0.090 0.000 0.980 337 S CA 0.302 58.543 58.200 0.068 0.000 0.941 337 S CB -1.381 61.862 63.200 0.072 0.000 0.763 337 S HN 0.220 nan 8.310 nan 0.000 0.532 338 N N 1.519 120.277 118.700 0.097 0.000 2.508 338 N HA 0.386 5.126 4.740 -0.000 0.000 0.253 338 N C -1.057 174.553 175.510 0.168 0.000 1.145 338 N CA 0.096 53.207 53.050 0.102 0.000 0.973 338 N CB 0.249 38.782 38.487 0.076 0.000 1.305 338 N HN 0.362 nan 8.380 nan 0.000 0.506 339 M N 3.029 122.690 119.600 0.101 0.000 2.263 339 M HA 0.420 4.900 4.480 -0.000 0.000 0.295 339 M C -2.391 173.870 176.300 -0.065 0.000 1.028 339 M CA -1.758 53.559 55.300 0.029 0.000 0.921 339 M CB 2.622 35.250 32.600 0.047 0.000 1.601 339 M HN 0.246 nan 8.290 nan 0.000 0.440 340 P HA 0.460 nan 4.420 nan 0.000 0.278 340 P C -2.877 174.327 177.300 -0.161 0.000 1.258 340 P CA -1.630 61.368 63.100 -0.169 0.000 0.811 340 P CB -0.259 31.291 31.700 -0.249 0.000 1.063 341 P HA 0.100 nan 4.420 nan 0.000 0.264 341 P C 0.956 178.195 177.300 -0.102 0.000 1.183 341 P CA 1.465 64.522 63.100 -0.073 0.000 0.763 341 P CB -0.140 31.530 31.700 -0.051 0.000 0.807 342 G N 2.396 111.157 108.800 -0.065 0.000 2.307 342 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.210 342 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.210 342 G C -0.040 174.828 174.900 -0.053 0.000 1.005 342 G CA -0.384 44.684 45.100 -0.052 0.000 0.634 342 G HN 0.482 nan 8.290 nan 0.000 0.496 343 I N 1.338 121.834 120.570 -0.123 0.000 2.436 343 I HA 0.641 4.811 4.170 -0.000 0.000 0.289 343 I C -0.190 175.933 176.117 0.010 0.000 1.010 343 I CA -0.654 60.586 61.300 -0.101 0.000 1.098 343 I CB 1.961 39.705 38.000 -0.427 0.000 1.266 343 I HN 0.156 nan 8.210 nan 0.000 0.434 344 E N 3.121 123.406 120.200 0.142 0.000 2.459 344 E HA 0.735 5.085 4.350 -0.000 0.000 0.275 344 E C -1.014 175.759 176.600 0.288 0.000 0.987 344 E CA -1.069 55.439 56.400 0.181 0.000 0.828 344 E CB 2.221 32.013 29.700 0.153 0.000 1.428 344 E HN 0.623 nan 8.360 nan 0.000 0.457 345 A N 0.741 123.685 122.820 0.207 0.000 2.304 345 A HA 0.549 4.869 4.320 -0.000 0.000 0.271 345 A C -0.105 177.534 177.584 0.092 0.000 1.091 345 A CA -0.220 51.897 52.037 0.132 0.000 0.812 345 A CB 0.619 19.645 19.000 0.044 0.000 1.056 345 A HN 0.477 nan 8.150 nan 0.000 0.489 346 S N 0.599 116.256 115.700 -0.072 0.000 2.607 346 S HA 0.662 5.132 4.470 -0.000 0.000 0.303 346 S C -2.245 172.118 174.600 -0.394 0.000 1.086 346 S CA -1.248 56.829 58.200 -0.205 0.000 0.995 346 S CB 1.672 64.676 63.200 -0.327 0.000 1.084 346 S HN 0.479 nan 8.310 nan 0.000 0.507 347 P HA -0.007 nan 4.420 nan 0.000 0.242 347 P C -0.154 176.900 177.300 -0.410 0.000 1.198 347 P CA 0.243 63.028 63.100 -0.526 0.000 0.756 347 P CB -0.551 30.820 31.700 -0.549 0.000 0.911 348 D N 1.311 121.484 120.400 -0.378 0.000 2.426 348 D HA -0.055 4.585 4.640 -0.000 0.000 0.261 348 D C 1.141 177.366 176.300 -0.124 0.000 1.245 348 D CA 0.335 54.255 54.000 -0.133 0.000 0.917 348 D CB 0.722 41.466 40.800 -0.093 0.000 1.123 348 D HN 0.020 nan 8.370 nan 0.000 0.508 349 K N 3.456 123.827 120.400 -0.049 0.000 2.074 349 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 349 K C 2.022 178.602 176.600 -0.034 0.000 1.048 349 K CA 1.133 57.399 56.287 -0.035 0.000 0.926 349 K CB -0.057 32.453 32.500 0.017 0.000 0.713 349 K HN 0.515 nan 8.250 nan 0.000 0.444 350 M N 0.485 120.090 119.600 0.008 0.000 2.080 350 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 350 M C 2.340 178.571 176.300 -0.116 0.000 1.068 350 M CA 1.260 56.579 55.300 0.031 0.000 1.109 350 M CB -0.973 31.727 32.600 0.168 0.000 1.342 350 M HN 0.166 nan 8.290 nan 0.000 0.405 351 L N 1.119 122.121 121.223 -0.369 0.000 1.970 351 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 351 L C 2.467 179.143 176.870 -0.323 0.000 1.071 351 L CA 1.973 56.375 54.840 -0.730 0.000 0.751 351 L CB -1.153 40.396 42.059 -0.850 0.000 0.889 351 L HN 0.333 nan 8.230 nan 0.000 0.432 352 Q N -0.162 119.507 119.800 -0.218 0.000 2.197 352 Q HA -0.219 4.121 4.340 -0.000 0.000 0.211 352 Q C 2.063 178.033 176.000 -0.050 0.000 0.993 352 Q CA 1.848 57.579 55.803 -0.119 0.000 0.883 352 Q CB -0.987 27.685 28.738 -0.109 0.000 0.916 352 Q HN 0.737 nan 8.270 nan 0.000 0.418 353 G N 0.872 109.645 108.800 -0.045 0.000 2.414 353 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 353 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 353 G C 1.470 176.408 174.900 0.064 0.000 1.188 353 G CA 0.584 45.698 45.100 0.023 0.000 0.783 353 G HN 0.306 nan 8.290 nan 0.000 0.537 354 R N 0.046 120.543 120.500 -0.006 0.000 2.159 354 R HA 0.042 4.382 4.340 -0.000 0.000 0.237 354 R C 2.531 178.879 176.300 0.081 0.000 1.131 354 R CA 0.584 56.734 56.100 0.082 0.000 0.982 354 R CB -0.481 29.782 30.300 -0.062 0.000 0.868 354 R HN 0.332 nan 8.270 nan 0.000 0.453 355 L N -0.281 120.957 121.223 0.025 0.000 2.081 355 L HA -0.230 4.109 4.340 -0.000 0.000 0.212 355 L C 2.276 179.229 176.870 0.138 0.000 1.080 355 L CA 1.445 56.318 54.840 0.054 0.000 0.754 355 L CB -0.370 41.714 42.059 0.043 0.000 0.893 355 L HN 0.203 nan 8.230 nan 0.000 0.433 356 F N 0.179 120.145 119.950 0.026 0.000 2.188 356 F HA 0.095 4.622 4.527 0.000 0.000 0.289 356 F C 2.446 178.267 175.800 0.035 0.000 1.082 356 F CA 0.746 58.764 58.000 0.029 0.000 1.282 356 F CB -0.516 38.487 39.000 0.005 0.000 1.060 356 F HN -0.076 nan 8.300 nan 0.000 0.493 357 A N 0.462 123.084 122.820 -0.331 0.000 1.903 357 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 357 A C 2.150 179.437 177.584 -0.495 0.000 1.191 357 A CA 2.318 54.045 52.037 -0.516 0.000 0.638 357 A CB -1.846 17.020 19.000 -0.224 0.000 0.823 357 A HN 0.639 nan 8.150 nan 0.000 0.451 358 Y N -0.129 119.938 120.300 -0.388 0.000 2.114 358 Y HA -0.137 4.413 4.550 -0.000 0.000 0.284 358 Y C -0.032 175.534 175.900 -0.557 0.000 1.143 358 Y CA 1.956 59.776 58.100 -0.466 0.000 1.135 358 Y CB -1.458 36.862 38.460 -0.233 0.000 0.980 358 Y HN 0.309 nan 8.280 nan 0.000 0.499 359 P HA -0.129 nan 4.420 nan 0.000 0.218 359 P C 0.840 178.067 177.300 -0.121 0.000 1.149 359 P CA 1.969 65.114 63.100 0.076 0.000 0.817 359 P CB 0.022 31.819 31.700 0.161 0.000 0.785 360 D N -1.335 118.871 120.400 -0.323 0.000 2.088 360 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 360 D C 2.070 178.198 176.300 -0.287 0.000 0.992 360 D CA 1.836 55.614 54.000 -0.370 0.000 0.831 360 D CB -0.956 39.351 40.800 -0.823 0.000 0.973 360 D HN -0.047 nan 8.370 nan 0.000 0.447 361 T N -1.751 112.561 114.554 -0.402 0.000 2.759 361 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 361 T C 1.673 176.230 174.700 -0.239 0.000 1.042 361 T CA 1.861 63.779 62.100 -0.303 0.000 1.140 361 T CB -0.508 68.123 68.868 -0.395 0.000 0.864 361 T HN 0.345 nan 8.240 nan 0.000 0.455 362 H N 0.041 118.903 119.070 -0.348 0.000 2.353 362 H HA 0.061 4.617 4.556 -0.000 0.000 0.300 362 H C 2.697 177.753 175.328 -0.452 0.000 1.090 362 H CA 1.217 56.903 56.048 -0.603 0.000 1.327 362 H CB 0.037 28.993 29.762 -1.343 0.000 1.383 362 H HN 0.267 nan 8.280 nan 0.000 0.508 363 R N -0.508 119.916 120.500 -0.127 0.000 2.159 363 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 363 R C 1.978 178.314 176.300 0.059 0.000 1.131 363 R CA 1.618 57.756 56.100 0.064 0.000 0.982 363 R CB -0.149 30.215 30.300 0.106 0.000 0.868 363 R HN 0.499 nan 8.270 nan 0.000 0.453 364 H N 0.220 119.250 119.070 -0.066 0.000 2.300 364 H HA 0.079 4.635 4.556 -0.000 0.000 0.312 364 H C 2.164 177.467 175.328 -0.042 0.000 1.057 364 H CA 1.289 57.309 56.048 -0.046 0.000 1.380 364 H CB 0.047 29.773 29.762 -0.061 0.000 1.424 364 H HN -0.091 nan 8.280 nan 0.000 0.534 365 R N -0.093 120.294 120.500 -0.189 0.000 2.094 365 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 365 R C 1.971 178.166 176.300 -0.176 0.000 1.137 365 R CA 2.244 58.205 56.100 -0.231 0.000 0.943 365 R CB -0.228 30.029 30.300 -0.072 0.000 0.850 365 R HN 0.424 nan 8.270 nan 0.000 0.433 366 L N -1.806 119.345 121.223 -0.119 0.000 2.185 366 L HA 0.325 4.665 4.340 -0.000 0.000 0.198 366 L C 0.968 177.830 176.870 -0.012 0.000 1.079 366 L CA 0.437 55.239 54.840 -0.064 0.000 0.780 366 L CB 0.123 42.149 42.059 -0.054 0.000 0.955 366 L HN 0.519 nan 8.230 nan 0.000 0.462 367 G N -2.059 106.759 108.800 0.029 0.000 2.345 367 G HA2 0.033 3.993 3.960 -0.000 0.000 0.310 367 G HA3 0.033 3.993 3.960 -0.000 0.000 0.310 367 G C -2.671 172.309 174.900 0.134 0.000 1.476 367 G CA -0.761 44.374 45.100 0.057 0.000 0.978 367 G HN -0.232 nan 8.290 nan 0.000 0.656 368 P HA -0.135 nan 4.420 nan 0.000 0.218 368 P C 0.981 178.284 177.300 0.005 0.000 1.154 368 P CA 1.718 64.859 63.100 0.069 0.000 0.872 368 P CB -0.003 31.710 31.700 0.020 0.000 0.790 369 N N -1.921 116.723 118.700 -0.093 0.000 2.451 369 N HA 0.066 4.806 4.740 -0.000 0.000 0.264 369 N C 0.853 176.221 175.510 -0.236 0.000 1.167 369 N CA -0.369 52.471 53.050 -0.350 0.000 0.898 369 N CB -0.390 37.732 38.487 -0.608 0.000 1.176 369 N HN 0.304 nan 8.380 nan 0.000 0.507 370 Y N -0.927 119.300 120.300 -0.123 0.000 2.241 370 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 370 Y C 1.347 177.203 175.900 -0.073 0.000 1.166 370 Y CA 0.883 58.930 58.100 -0.088 0.000 1.203 370 Y CB -0.379 38.030 38.460 -0.086 0.000 0.977 370 Y HN 0.121 nan 8.280 nan 0.000 0.529 371 L N 0.164 121.020 121.223 -0.611 0.000 2.456 371 L HA -0.165 4.175 4.340 -0.000 0.000 0.224 371 L C 2.158 179.009 176.870 -0.031 0.000 1.148 371 L CA 1.160 55.772 54.840 -0.380 0.000 0.825 371 L CB -0.704 41.079 42.059 -0.460 0.000 0.937 371 L HN 0.497 nan 8.230 nan 0.000 0.450 372 H N -0.349 118.649 119.070 -0.120 0.000 2.470 372 H HA 0.094 4.649 4.556 -0.000 0.000 0.289 372 H C 0.917 176.228 175.328 -0.028 0.000 1.033 372 H CA -0.466 55.547 56.048 -0.058 0.000 1.331 372 H CB 0.317 30.056 29.762 -0.039 0.000 1.414 372 H HN 0.201 nan 8.280 nan 0.000 0.545 373 I N 2.776 123.411 120.570 0.109 0.000 2.821 373 I HA -0.118 4.052 4.170 -0.000 0.000 0.294 373 I C -1.397 174.748 176.117 0.047 0.000 1.210 373 I CA -1.163 60.177 61.300 0.066 0.000 1.430 373 I CB 0.553 38.579 38.000 0.044 0.000 1.356 373 I HN -0.004 nan 8.210 nan 0.000 0.563 374 P HA -0.275 nan 4.420 nan 0.000 0.221 374 P C 1.691 179.014 177.300 0.039 0.000 1.160 374 P CA 1.259 64.363 63.100 0.007 0.000 0.933 374 P CB 0.144 31.829 31.700 -0.025 0.000 0.793 375 V N -0.944 118.998 119.914 0.046 0.000 2.913 375 V HA -0.166 3.954 4.120 -0.000 0.000 0.260 375 V C 1.524 177.719 176.094 0.169 0.000 1.098 375 V CA 1.942 64.314 62.300 0.120 0.000 1.121 375 V CB -0.969 30.918 31.823 0.107 0.000 0.714 375 V HN 0.122 nan 8.190 nan 0.000 0.487 376 N N -1.213 117.534 118.700 0.078 0.000 2.388 376 N HA 0.055 4.795 4.740 -0.000 0.000 0.176 376 N C 0.747 176.304 175.510 0.078 0.000 1.062 376 N CA 0.565 53.628 53.050 0.023 0.000 0.895 376 N CB -0.349 38.123 38.487 -0.025 0.000 1.018 376 N HN 0.484 nan 8.380 nan 0.000 0.456 377 C N 4.312 123.684 119.300 0.121 0.000 2.642 377 C HA 0.116 4.576 4.460 -0.000 0.000 0.420 377 C C -1.767 173.351 174.990 0.212 0.000 1.349 377 C CA -1.018 58.072 59.018 0.121 0.000 1.821 377 C CB 0.145 27.943 27.740 0.096 0.000 2.637 377 C HN 0.270 nan 8.230 nan 0.000 0.605 378 P HA 0.124 nan 4.420 nan 0.000 0.219 378 P C 0.050 177.377 177.300 0.044 0.000 1.832 378 P CA -0.040 63.119 63.100 0.099 0.000 1.014 378 P CB -0.630 31.082 31.700 0.020 0.000 1.939 379 Y N 0.665 120.991 120.300 0.043 0.000 2.556 379 Y HA -0.041 4.509 4.550 -0.000 0.000 0.290 379 Y C 1.390 177.276 175.900 -0.023 0.000 1.149 379 Y CA 0.579 58.658 58.100 -0.035 0.000 1.329 379 Y CB -0.699 37.693 38.460 -0.114 0.000 0.975 379 Y HN -0.032 nan 8.280 nan 0.000 0.561 380 R N 0.918 121.227 120.500 -0.320 0.000 2.515 380 R HA 0.569 4.908 4.340 -0.000 0.000 0.294 380 R C -0.357 175.895 176.300 -0.080 0.000 1.021 380 R CA 0.332 56.317 56.100 -0.193 0.000 1.081 380 R CB 0.390 30.514 30.300 -0.293 0.000 1.263 380 R HN 0.379 nan 8.270 nan 0.000 0.557 381 A N 0.409 123.201 122.820 -0.048 0.000 2.566 381 A HA 0.522 4.842 4.320 -0.000 0.000 0.292 381 A C -1.187 176.383 177.584 -0.023 0.000 1.112 381 A CA -0.817 51.199 52.037 -0.034 0.000 0.707 381 A CB 1.303 20.280 19.000 -0.039 0.000 1.302 381 A HN 0.246 nan 8.150 nan 0.000 0.409 382 R N 1.405 121.887 120.500 -0.030 0.000 2.522 382 R HA 0.485 4.825 4.340 -0.000 0.000 0.290 382 R C -1.210 175.062 176.300 -0.048 0.000 1.216 382 R CA -0.224 55.855 56.100 -0.035 0.000 1.250 382 R CB 0.096 30.375 30.300 -0.035 0.000 1.143 382 R HN 0.504 nan 8.270 nan 0.000 0.553 383 V N 3.462 123.347 119.914 -0.047 0.000 2.450 383 V HA 0.325 4.445 4.120 -0.000 0.000 0.281 383 V C 0.271 176.316 176.094 -0.083 0.000 1.019 383 V CA 0.211 62.475 62.300 -0.059 0.000 1.062 383 V CB 0.757 32.553 31.823 -0.046 0.000 0.979 383 V HN 0.816 nan 8.190 nan 0.000 0.477 384 A N 6.138 128.892 122.820 -0.110 0.000 2.465 384 A HA 0.817 5.137 4.320 -0.000 0.000 0.292 384 A C -0.372 177.070 177.584 -0.236 0.000 1.041 384 A CA -0.660 51.278 52.037 -0.166 0.000 0.718 384 A CB 1.313 20.219 19.000 -0.156 0.000 1.266 384 A HN 0.911 nan 8.150 nan 0.000 0.403 385 N N -0.069 118.433 118.700 -0.330 0.000 3.517 385 N HA 0.237 4.977 4.740 -0.000 0.000 0.329 385 N C -1.091 174.021 175.510 -0.664 0.000 1.569 385 N CA -0.560 52.222 53.050 -0.447 0.000 0.852 385 N CB 0.591 38.977 38.487 -0.168 0.000 1.955 385 N HN 0.349 nan 8.380 nan 0.000 0.555 386 Y N 0.179 120.450 120.300 -0.049 0.000 2.658 386 Y HA 0.316 4.867 4.550 0.001 0.000 0.276 386 Y C 0.114 176.027 175.900 0.022 0.000 1.167 386 Y CA -0.404 57.694 58.100 -0.003 0.000 1.230 386 Y CB 0.447 38.920 38.460 0.023 0.000 1.144 386 Y HN 0.146 nan 8.280 nan 0.000 0.529 387 Q N 1.296 121.133 119.800 0.060 0.000 2.235 387 Q HA 0.580 4.920 4.340 -0.000 0.000 0.250 387 Q C -0.194 175.833 176.000 0.045 0.000 0.909 387 Q CA -0.633 55.206 55.803 0.059 0.000 0.910 387 Q CB 1.537 30.294 28.738 0.032 0.000 1.223 387 Q HN 0.161 nan 8.270 nan 0.000 0.432 388 R N 1.538 122.071 120.500 0.055 0.000 2.764 388 R HA 0.337 4.676 4.340 -0.000 0.000 0.270 388 R C -0.786 175.543 176.300 0.048 0.000 1.014 388 R CA -0.629 55.502 56.100 0.052 0.000 0.904 388 R CB 1.175 31.510 30.300 0.058 0.000 1.236 388 R HN 0.732 nan 8.270 nan 0.000 0.466 389 D N -0.147 120.284 120.400 0.051 0.000 3.369 389 D HA -0.179 4.461 4.640 -0.000 0.000 0.217 389 D C 0.385 176.702 176.300 0.030 0.000 1.532 389 D CA 2.087 56.114 54.000 0.044 0.000 1.126 389 D CB -1.051 39.772 40.800 0.038 0.000 0.683 389 D HN 0.932 nan 8.370 nan 0.000 0.827 390 G N -1.297 107.516 108.800 0.021 0.000 2.663 390 G HA2 0.176 4.135 3.960 -0.000 0.000 0.686 390 G HA3 0.176 4.135 3.960 -0.000 0.000 0.686 390 G C -3.003 171.901 174.900 0.006 0.000 1.246 390 G CA -0.425 44.676 45.100 0.003 0.000 0.795 390 G HN 0.483 nan 8.290 nan 0.000 0.627 391 P HA 0.359 nan 4.420 nan 0.000 0.265 391 P C 0.713 178.020 177.300 0.012 0.000 1.193 391 P CA 0.256 63.363 63.100 0.013 0.000 0.765 391 P CB 0.339 32.047 31.700 0.014 0.000 0.823 392 M N -0.158 119.461 119.600 0.031 0.000 2.632 392 M HA -0.178 4.302 4.480 -0.000 0.000 0.184 392 M C -0.392 175.962 176.300 0.090 0.000 0.976 392 M CA 0.294 55.625 55.300 0.052 0.000 0.612 392 M CB -2.303 30.325 32.600 0.047 0.000 1.181 392 M HN 0.410 nan 8.290 nan 0.000 0.840 393 C N 3.721 123.085 119.300 0.107 0.000 2.252 393 C HA 0.298 4.758 4.460 -0.000 0.000 0.342 393 C C 1.766 176.864 174.990 0.180 0.000 1.110 393 C CA -0.569 58.572 59.018 0.205 0.000 1.581 393 C CB -0.312 27.510 27.740 0.138 0.000 2.087 393 C HN 0.646 nan 8.230 nan 0.000 0.500 394 M N 3.259 123.013 119.600 0.258 0.000 2.618 394 M HA 0.113 4.593 4.480 -0.000 0.000 0.240 394 M C 0.983 177.230 176.300 -0.088 0.000 1.123 394 M CA 0.893 56.228 55.300 0.058 0.000 1.060 394 M CB -1.080 31.566 32.600 0.078 0.000 1.535 394 M HN 0.732 nan 8.290 nan 0.000 0.507 395 Q N 0.085 119.770 119.800 -0.192 0.000 2.934 395 Q HA 0.137 4.477 4.340 -0.000 0.000 0.219 395 Q C 0.718 176.658 176.000 -0.099 0.000 1.024 395 Q CA -0.535 55.152 55.803 -0.193 0.000 0.928 395 Q CB 0.582 29.122 28.738 -0.330 0.000 1.594 395 Q HN 0.176 nan 8.270 nan 0.000 0.485 396 D N -0.293 120.054 120.400 -0.087 0.000 2.378 396 D HA -0.161 4.479 4.640 -0.000 0.000 0.227 396 D C -0.210 176.068 176.300 -0.036 0.000 1.012 396 D CA 0.377 54.347 54.000 -0.050 0.000 0.905 396 D CB -0.429 40.343 40.800 -0.048 0.000 0.895 396 D HN 0.762 nan 8.370 nan 0.000 0.532 397 N N 0.660 119.335 118.700 -0.042 0.000 2.754 397 N HA -0.298 4.442 4.740 -0.000 0.000 0.248 397 N C -0.778 174.720 175.510 -0.019 0.000 1.093 397 N CA 0.607 53.653 53.050 -0.006 0.000 0.699 397 N CB -0.859 37.640 38.487 0.021 0.000 1.016 397 N HN 0.319 nan 8.380 nan 0.000 0.552 398 Q N -2.891 116.883 119.800 -0.044 0.000 2.494 398 Q HA -0.264 4.076 4.340 -0.000 0.000 0.272 398 Q C 1.121 177.098 176.000 -0.039 0.000 1.145 398 Q CA 0.999 56.770 55.803 -0.053 0.000 0.943 398 Q CB -1.834 26.861 28.738 -0.071 0.000 1.338 398 Q HN 0.875 nan 8.270 nan 0.000 0.492 399 G N -0.452 108.331 108.800 -0.028 0.000 2.652 399 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.318 399 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.318 399 G C 0.497 175.392 174.900 -0.009 0.000 1.295 399 G CA 0.344 45.433 45.100 -0.018 0.000 0.999 399 G HN 0.954 nan 8.290 nan 0.000 0.548 400 G N 0.237 109.032 108.800 -0.007 0.000 3.707 400 G HA2 0.686 4.646 3.960 -0.000 0.000 0.286 400 G HA3 0.686 4.646 3.960 -0.000 0.000 0.286 400 G C 0.495 175.395 174.900 0.000 0.000 1.112 400 G CA 1.151 46.251 45.100 -0.001 0.000 0.861 400 G HN 1.681 nan 8.290 nan 0.000 0.534 401 A N 1.080 123.896 122.820 -0.007 0.000 2.462 401 A HA 0.556 4.876 4.320 -0.000 0.000 0.243 401 A C -2.004 175.591 177.584 0.019 0.000 1.076 401 A CA -0.839 51.194 52.037 -0.007 0.000 0.773 401 A CB 0.105 19.076 19.000 -0.048 0.000 1.010 401 A HN 0.197 nan 8.150 nan 0.000 0.493 402 P HA -0.015 nan 4.420 nan 0.000 0.261 402 P C 0.122 177.516 177.300 0.158 0.000 1.183 402 P CA 0.498 63.628 63.100 0.050 0.000 0.761 402 P CB 0.143 31.819 31.700 -0.040 0.000 0.785 403 N N 2.705 121.563 118.700 0.263 0.000 2.327 403 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 403 N C -0.710 175.094 175.510 0.489 0.000 1.130 403 N CA -0.640 52.633 53.050 0.373 0.000 0.845 403 N CB -0.223 38.410 38.487 0.244 0.000 1.073 403 N HN 0.412 nan 8.380 nan 0.000 0.496 404 Y N -3.136 117.312 120.300 0.247 0.000 2.504 404 Y HA 0.562 5.112 4.550 -0.000 0.000 0.344 404 Y C -1.935 173.744 175.900 -0.369 0.000 1.023 404 Y CA -1.755 56.315 58.100 -0.049 0.000 1.020 404 Y CB 0.800 39.263 38.460 0.004 0.000 1.282 404 Y HN -0.091 nan 8.280 nan 0.000 0.454 405 Y N 4.557 124.452 120.300 -0.675 0.000 2.341 405 Y HA 0.764 5.315 4.550 0.001 0.000 0.338 405 Y C -2.563 173.209 175.900 -0.213 0.000 0.965 405 Y CA -3.186 54.494 58.100 -0.699 0.000 1.108 405 Y CB 1.681 39.600 38.460 -0.902 0.000 1.180 405 Y HN 0.678 nan 8.280 nan 0.000 0.458 406 P HA 0.453 nan 4.420 nan 0.000 0.278 406 P C -1.718 175.490 177.300 -0.153 0.000 1.266 406 P CA -0.570 62.229 63.100 -0.502 0.000 0.807 406 P CB 0.891 32.329 31.700 -0.437 0.000 1.094 407 N N -3.081 115.550 118.700 -0.116 0.000 2.598 407 N HA 0.283 5.022 4.740 -0.000 0.000 0.263 407 N C -0.922 174.616 175.510 0.047 0.000 1.254 407 N CA -0.810 52.217 53.050 -0.039 0.000 0.863 407 N CB 0.680 38.885 38.487 -0.469 0.000 1.586 407 N HN -0.004 nan 8.380 nan 0.000 0.491 408 S N 0.207 115.960 115.700 0.088 0.000 2.679 408 S HA 0.246 4.716 4.470 -0.000 0.000 0.233 408 S C -0.505 173.811 174.600 -0.473 0.000 0.951 408 S CA -0.321 57.767 58.200 -0.187 0.000 0.973 408 S CB -0.883 62.144 63.200 -0.289 0.000 0.778 408 S HN 0.534 nan 8.310 nan 0.000 0.477 409 F N 0.855 120.809 119.950 0.006 0.000 2.698 409 F HA 0.377 4.903 4.527 -0.001 0.000 0.304 409 F C 1.518 177.327 175.800 0.015 0.000 1.108 409 F CA -0.504 57.506 58.000 0.015 0.000 1.263 409 F CB 0.252 39.266 39.000 0.023 0.000 1.013 409 F HN 0.270 nan 8.300 nan 0.000 0.532 410 G N 0.852 109.716 108.800 0.107 0.000 2.147 410 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.244 410 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.244 410 G C 0.437 175.394 174.900 0.095 0.000 1.005 410 G CA -0.021 45.130 45.100 0.086 0.000 0.713 410 G HN 0.673 nan 8.290 nan 0.000 0.515 411 A N 0.019 122.921 122.820 0.137 0.000 2.296 411 A HA 0.754 5.074 4.320 -0.000 0.000 0.264 411 A C -1.049 176.599 177.584 0.108 0.000 1.097 411 A CA -0.744 51.360 52.037 0.111 0.000 0.811 411 A CB 0.027 19.163 19.000 0.227 0.000 1.072 411 A HN 0.236 nan 8.150 nan 0.000 0.495 412 P HA 0.022 nan 4.420 nan 0.000 0.265 412 P C -0.496 176.809 177.300 0.009 0.000 1.167 412 P CA 0.772 63.826 63.100 -0.076 0.000 0.760 412 P CB 0.310 31.851 31.700 -0.264 0.000 0.783 413 E N 1.719 121.926 120.200 0.012 0.000 2.256 413 E HA 0.151 4.501 4.350 -0.000 0.000 0.267 413 E C -0.137 176.478 176.600 0.024 0.000 0.892 413 E CA -0.713 55.736 56.400 0.083 0.000 0.775 413 E CB 1.502 31.279 29.700 0.129 0.000 1.207 413 E HN 0.462 nan 8.360 nan 0.000 0.420 414 Q N 0.978 120.826 119.800 0.080 0.000 2.327 414 Q HA 0.160 4.500 4.340 -0.000 0.000 0.254 414 Q C -0.356 175.684 176.000 0.066 0.000 0.952 414 Q CA -0.404 55.435 55.803 0.061 0.000 0.884 414 Q CB 0.543 29.363 28.738 0.137 0.000 1.224 414 Q HN 0.365 nan 8.270 nan 0.000 0.422 415 Q N 1.708 121.530 119.800 0.037 0.000 2.372 415 Q HA 0.321 4.661 4.340 -0.000 0.000 0.259 415 Q C -2.335 173.684 176.000 0.031 0.000 0.993 415 Q CA -2.150 53.672 55.803 0.031 0.000 0.854 415 Q CB 1.482 30.229 28.738 0.015 0.000 1.231 415 Q HN 0.386 nan 8.270 nan 0.000 0.462 416 P HA -0.316 nan 4.420 nan 0.000 0.218 416 P C 1.282 178.596 177.300 0.024 0.000 1.154 416 P CA 2.247 65.366 63.100 0.032 0.000 0.872 416 P CB 0.119 31.836 31.700 0.028 0.000 0.790 417 S N -1.214 114.496 115.700 0.018 0.000 2.500 417 S HA -0.057 4.413 4.470 -0.000 0.000 0.239 417 S C 1.755 176.362 174.600 0.012 0.000 0.989 417 S CA 0.976 59.184 58.200 0.013 0.000 0.951 417 S CB -1.003 62.201 63.200 0.006 0.000 0.759 417 S HN 0.177 nan 8.310 nan 0.000 0.523 418 A N 0.486 123.314 122.820 0.014 0.000 2.308 418 A HA 0.510 4.830 4.320 -0.000 0.000 0.217 418 A C 0.698 178.296 177.584 0.024 0.000 1.216 418 A CA -0.476 51.568 52.037 0.011 0.000 0.864 418 A CB -0.285 18.718 19.000 0.005 0.000 0.902 418 A HN 0.528 nan 8.150 nan 0.000 0.499 419 L N 1.245 122.487 121.223 0.031 0.000 2.514 419 L HA 0.045 4.384 4.340 -0.000 0.000 0.280 419 L C 0.091 176.992 176.870 0.053 0.000 1.223 419 L CA -0.250 54.614 54.840 0.040 0.000 0.864 419 L CB 0.481 42.562 42.059 0.036 0.000 1.118 419 L HN 0.370 nan 8.230 nan 0.000 0.494 420 E N 1.768 122.005 120.200 0.063 0.000 2.366 420 E HA 0.097 4.447 4.350 -0.000 0.000 0.266 420 E C -0.138 176.533 176.600 0.118 0.000 1.051 420 E CA -0.302 56.154 56.400 0.094 0.000 0.884 420 E CB 0.359 30.114 29.700 0.093 0.000 1.006 420 E HN 0.325 nan 8.360 nan 0.000 0.417 421 H N 1.357 120.460 119.070 0.055 0.000 2.848 421 H HA 0.095 4.652 4.556 0.000 0.000 0.341 421 H C -0.711 174.669 175.328 0.086 0.000 1.060 421 H CA 0.054 56.138 56.048 0.060 0.000 1.444 421 H CB 0.633 30.432 29.762 0.063 0.000 1.446 421 H HN 0.497 nan 8.280 nan 0.000 0.583 422 S N 6.063 121.496 115.700 -0.445 0.000 2.473 422 S HA 0.615 5.085 4.470 -0.000 0.000 0.307 422 S C -0.333 174.075 174.600 -0.320 0.000 1.094 422 S CA -0.911 57.143 58.200 -0.242 0.000 1.070 422 S CB 1.311 64.446 63.200 -0.107 0.000 1.019 422 S HN 0.554 nan 8.310 nan 0.000 0.480 423 I N 1.661 122.182 120.570 -0.082 0.000 2.892 423 I HA 0.489 4.659 4.170 -0.000 0.000 0.306 423 I C -0.232 175.801 176.117 -0.139 0.000 1.078 423 I CA -0.924 60.307 61.300 -0.116 0.000 1.032 423 I CB 2.140 40.031 38.000 -0.182 0.000 1.229 423 I HN 0.667 nan 8.210 nan 0.000 0.435 424 Q N 2.842 122.520 119.800 -0.204 0.000 2.256 424 Q HA 0.475 4.815 4.340 -0.000 0.000 0.257 424 Q C -1.977 173.873 176.000 -0.250 0.000 0.936 424 Q CA -0.440 55.298 55.803 -0.108 0.000 0.903 424 Q CB 1.376 30.085 28.738 -0.048 0.000 1.263 424 Q HN 0.533 nan 8.270 nan 0.000 0.440 425 Y N 0.481 120.780 120.300 -0.003 0.000 2.524 425 Y HA 0.537 5.087 4.550 -0.001 0.000 0.344 425 Y C -0.192 175.707 175.900 -0.001 0.000 1.012 425 Y CA -0.709 57.385 58.100 -0.010 0.000 1.068 425 Y CB 2.682 41.128 38.460 -0.022 0.000 1.249 425 Y HN 0.545 nan 8.280 nan 0.000 0.468 426 S N 0.230 116.023 115.700 0.156 0.000 2.599 426 S HA 0.882 5.352 4.470 -0.000 0.000 0.287 426 S C -0.360 174.294 174.600 0.090 0.000 1.105 426 S CA -0.412 57.847 58.200 0.098 0.000 0.899 426 S CB 1.970 65.206 63.200 0.060 0.000 1.100 426 S HN 1.200 nan 8.310 nan 0.000 0.482 427 G N 1.088 109.947 108.800 0.097 0.000 2.423 427 G HA2 0.029 3.989 3.960 -0.000 0.000 0.684 427 G HA3 0.029 3.989 3.960 -0.000 0.000 0.684 427 G C -1.290 173.717 174.900 0.179 0.000 1.309 427 G CA -1.041 44.142 45.100 0.138 0.000 0.950 427 G HN 0.650 nan 8.290 nan 0.000 0.587 428 E N -1.477 118.873 120.200 0.250 0.000 2.409 428 E HA 0.373 4.723 4.350 -0.000 0.000 0.257 428 E C -0.032 176.710 176.600 0.238 0.000 1.150 428 E CA -0.255 56.255 56.400 0.184 0.000 0.942 428 E CB 1.396 31.151 29.700 0.093 0.000 0.979 428 E HN 0.353 nan 8.360 nan 0.000 0.447 429 V N 3.419 123.399 119.914 0.111 0.000 2.294 429 V HA 0.309 4.429 4.120 -0.000 0.000 0.272 429 V C 0.082 176.181 176.094 0.007 0.000 1.027 429 V CA 0.066 62.425 62.300 0.098 0.000 0.823 429 V CB -0.170 31.683 31.823 0.051 0.000 1.030 429 V HN 0.650 nan 8.190 nan 0.000 0.457 430 R N 3.587 124.068 120.500 -0.031 0.000 3.034 430 R HA 0.592 4.932 4.340 -0.000 0.000 0.264 430 R C -1.026 175.172 176.300 -0.170 0.000 1.030 430 R CA -1.252 54.742 56.100 -0.176 0.000 0.903 430 R CB 1.442 31.543 30.300 -0.331 0.000 1.414 430 R HN 0.241 nan 8.270 nan 0.000 0.429 431 R N 0.851 121.230 120.500 -0.202 0.000 2.287 431 R HA 0.291 4.631 4.340 -0.000 0.000 0.327 431 R C -1.049 175.170 176.300 -0.135 0.000 1.109 431 R CA -0.270 55.779 56.100 -0.084 0.000 1.013 431 R CB 0.119 30.392 30.300 -0.045 0.000 1.126 431 R HN 0.239 nan 8.270 nan 0.000 0.503 432 F N 1.997 121.953 119.950 0.010 0.000 2.471 432 F HA 0.058 4.585 4.527 -0.001 0.000 0.365 432 F C 1.170 176.983 175.800 0.021 0.000 1.095 432 F CA -0.458 57.552 58.000 0.017 0.000 1.174 432 F CB 0.222 39.235 39.000 0.021 0.000 1.105 432 F HN 0.387 nan 8.300 nan 0.000 0.535 433 N N 1.688 120.475 118.700 0.145 0.000 2.518 433 N HA 0.081 4.821 4.740 -0.000 0.000 0.266 433 N C 0.409 175.990 175.510 0.118 0.000 1.196 433 N CA 0.195 53.307 53.050 0.103 0.000 0.947 433 N CB 0.751 39.273 38.487 0.059 0.000 1.098 433 N HN 0.665 nan 8.380 nan 0.000 0.450 434 T N -0.370 114.241 114.554 0.095 0.000 3.337 434 T HA 0.401 4.751 4.350 -0.000 0.000 0.299 434 T C 1.020 175.755 174.700 0.058 0.000 0.998 434 T CA -0.030 62.120 62.100 0.082 0.000 0.948 434 T CB -0.134 68.787 68.868 0.089 0.000 1.170 434 T HN 0.392 nan 8.240 nan 0.000 0.508 435 A N 2.339 125.187 122.820 0.046 0.000 2.067 435 A HA 0.080 4.399 4.320 -0.000 0.000 0.219 435 A C 1.608 179.201 177.584 0.014 0.000 1.158 435 A CA 0.622 52.674 52.037 0.025 0.000 0.661 435 A CB -0.277 18.732 19.000 0.015 0.000 0.801 435 A HN 0.571 nan 8.150 nan 0.000 0.452 436 N N 0.502 119.216 118.700 0.022 0.000 2.401 436 N HA 0.092 4.832 4.740 -0.000 0.000 0.264 436 N C -1.181 174.343 175.510 0.024 0.000 1.238 436 N CA -0.078 52.981 53.050 0.015 0.000 0.889 436 N CB 0.445 38.940 38.487 0.014 0.000 1.196 436 N HN 0.214 nan 8.380 nan 0.000 0.511 437 D N 1.960 122.380 120.400 0.032 0.000 2.767 437 D HA 0.003 4.643 4.640 -0.000 0.000 0.231 437 D C -0.237 176.096 176.300 0.054 0.000 1.105 437 D CA 0.300 54.328 54.000 0.047 0.000 1.024 437 D CB -0.385 40.450 40.800 0.058 0.000 1.123 437 D HN 0.079 nan 8.370 nan 0.000 0.470 438 D N 1.406 121.833 120.400 0.045 0.000 3.508 438 D HA -0.201 4.439 4.640 -0.000 0.000 0.232 438 D C -0.165 176.143 176.300 0.014 0.000 1.131 438 D CA 0.254 54.287 54.000 0.054 0.000 1.040 438 D CB -0.500 40.385 40.800 0.142 0.000 0.879 438 D HN 0.323 nan 8.370 nan 0.000 0.407 439 N N 1.398 120.088 118.700 -0.016 0.000 2.383 439 N HA 0.004 4.744 4.740 -0.000 0.000 0.192 439 N C 1.603 177.066 175.510 -0.079 0.000 1.141 439 N CA 0.959 53.976 53.050 -0.055 0.000 0.851 439 N CB 0.724 39.176 38.487 -0.058 0.000 0.976 439 N HN 0.500 nan 8.380 nan 0.000 0.465 440 V N -4.048 115.835 119.914 -0.052 0.000 3.058 440 V HA 0.118 4.237 4.120 -0.000 0.000 0.233 440 V C 2.013 178.080 176.094 -0.045 0.000 1.255 440 V CA 0.347 62.621 62.300 -0.043 0.000 1.267 440 V CB -0.606 31.218 31.823 0.001 0.000 1.049 440 V HN -0.092 nan 8.190 nan 0.000 0.486 441 T N 1.386 115.941 114.554 0.002 0.000 2.522 441 T HA -0.410 3.939 4.350 -0.000 0.000 0.253 441 T C 1.907 176.592 174.700 -0.024 0.000 1.218 441 T CA 3.172 65.299 62.100 0.045 0.000 1.155 441 T CB -0.739 68.240 68.868 0.183 0.000 0.855 441 T HN 0.655 nan 8.240 nan 0.000 0.435 442 Q N 0.179 119.865 119.800 -0.190 0.000 2.226 442 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 442 Q C 2.594 178.422 176.000 -0.287 0.000 0.975 442 Q CA 1.169 56.798 55.803 -0.291 0.000 0.866 442 Q CB -0.393 28.031 28.738 -0.524 0.000 0.915 442 Q HN 0.470 nan 8.270 nan 0.000 0.440 443 V N 0.518 120.226 119.914 -0.343 0.000 2.427 443 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 443 V C 2.264 178.478 176.094 0.200 0.000 1.051 443 V CA 1.871 64.142 62.300 -0.047 0.000 1.048 443 V CB -0.598 31.227 31.823 0.003 0.000 0.666 443 V HN 0.271 nan 8.190 nan 0.000 0.456 444 R N 0.885 121.466 120.500 0.135 0.000 2.073 444 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 444 R C 2.292 178.710 176.300 0.196 0.000 1.134 444 R CA 1.760 57.978 56.100 0.195 0.000 0.952 444 R CB -0.602 29.800 30.300 0.170 0.000 0.850 444 R HN 0.453 nan 8.270 nan 0.000 0.433 445 A N 0.058 122.976 122.820 0.163 0.000 1.978 445 A HA -0.181 4.138 4.320 -0.000 0.000 0.220 445 A C 1.979 179.690 177.584 0.212 0.000 1.170 445 A CA 1.344 53.477 52.037 0.159 0.000 0.636 445 A CB -0.767 18.317 19.000 0.141 0.000 0.810 445 A HN 0.550 nan 8.150 nan 0.000 0.448 446 F N -1.035 118.992 119.950 0.128 0.000 2.098 446 F HA -0.123 4.404 4.527 -0.000 0.000 0.294 446 F C 2.125 177.986 175.800 0.101 0.000 1.107 446 F CA 1.596 59.696 58.000 0.166 0.000 1.234 446 F CB -0.843 38.353 39.000 0.327 0.000 1.002 446 F HN 0.346 nan 8.300 nan 0.000 0.472 447 Y N 0.139 120.354 120.300 -0.141 0.000 2.181 447 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 447 Y C 2.180 177.894 175.900 -0.310 0.000 1.146 447 Y CA 2.340 60.218 58.100 -0.370 0.000 1.164 447 Y CB -0.380 37.878 38.460 -0.337 0.000 0.982 447 Y HN -0.042 nan 8.280 nan 0.000 0.515 448 V N 0.145 119.992 119.914 -0.112 0.000 2.379 448 V HA -0.219 3.901 4.120 -0.000 0.000 0.243 448 V C 1.293 177.297 176.094 -0.150 0.000 1.035 448 V CA 2.299 64.497 62.300 -0.170 0.000 1.035 448 V CB -0.510 31.297 31.823 -0.028 0.000 0.673 448 V HN 0.418 nan 8.190 nan 0.000 0.457 449 N N -0.557 118.100 118.700 -0.071 0.000 2.432 449 N HA 0.010 4.750 4.740 -0.000 0.000 0.174 449 N C 1.544 177.016 175.510 -0.063 0.000 1.037 449 N CA 0.523 53.546 53.050 -0.045 0.000 0.892 449 N CB 0.407 38.908 38.487 0.022 0.000 1.049 449 N HN 0.233 nan 8.380 nan 0.000 0.442 450 V N 1.480 121.340 119.914 -0.091 0.000 2.331 450 V HA 0.046 4.166 4.120 -0.000 0.000 0.242 450 V C 1.013 176.966 176.094 -0.234 0.000 1.034 450 V CA 0.923 63.160 62.300 -0.105 0.000 1.027 450 V CB -0.285 31.539 31.823 0.002 0.000 0.667 450 V HN 0.154 nan 8.190 nan 0.000 0.457 451 L N 1.364 122.336 121.223 -0.420 0.000 2.439 451 L HA 0.355 4.695 4.340 -0.000 0.000 0.259 451 L C 0.060 176.739 176.870 -0.318 0.000 1.129 451 L CA -0.360 54.235 54.840 -0.408 0.000 0.803 451 L CB 0.458 42.171 42.059 -0.576 0.000 1.161 451 L HN 0.446 nan 8.230 nan 0.000 0.462 452 N N -1.308 117.240 118.700 -0.254 0.000 2.525 452 N HA 0.172 4.912 4.740 -0.000 0.000 0.288 452 N C 0.327 175.711 175.510 -0.210 0.000 1.242 452 N CA -0.749 52.180 53.050 -0.202 0.000 0.905 452 N CB 0.637 39.045 38.487 -0.131 0.000 1.258 452 N HN 0.366 nan 8.380 nan 0.000 0.551 453 E N 0.036 120.137 120.200 -0.165 0.000 2.086 453 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 453 E C 1.013 177.560 176.600 -0.088 0.000 1.012 453 E CA 1.532 57.854 56.400 -0.131 0.000 0.812 453 E CB -0.171 29.476 29.700 -0.088 0.000 0.743 453 E HN 0.696 nan 8.360 nan 0.000 0.453 454 E N 0.802 120.959 120.200 -0.072 0.000 2.058 454 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 454 E C 2.122 178.695 176.600 -0.046 0.000 0.997 454 E CA 1.445 57.820 56.400 -0.043 0.000 0.801 454 E CB -0.163 29.514 29.700 -0.039 0.000 0.746 454 E HN 0.325 nan 8.360 nan 0.000 0.450 455 Q N -0.532 119.218 119.800 -0.083 0.000 2.119 455 Q HA -0.043 4.297 4.340 -0.000 0.000 0.201 455 Q C 2.286 178.228 176.000 -0.097 0.000 0.972 455 Q CA 1.124 56.875 55.803 -0.087 0.000 0.847 455 Q CB -0.092 28.568 28.738 -0.129 0.000 0.903 455 Q HN 0.161 nan 8.270 nan 0.000 0.433 456 R N 0.843 121.243 120.500 -0.167 0.000 2.081 456 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 456 R C 2.267 178.559 176.300 -0.013 0.000 1.131 456 R CA 1.242 57.243 56.100 -0.165 0.000 0.960 456 R CB -0.236 29.844 30.300 -0.367 0.000 0.856 456 R HN 0.143 nan 8.270 nan 0.000 0.436 457 K N 1.265 121.677 120.400 0.020 0.000 1.991 457 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 457 K C 2.167 178.765 176.600 -0.003 0.000 1.049 457 K CA 1.559 57.895 56.287 0.080 0.000 0.932 457 K CB -0.023 32.545 32.500 0.115 0.000 0.717 457 K HN 0.075 nan 8.250 nan 0.000 0.441 458 R N 0.462 120.975 120.500 0.021 0.000 2.094 458 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 458 R C 2.484 178.824 176.300 0.067 0.000 1.137 458 R CA 1.647 57.773 56.100 0.044 0.000 0.943 458 R CB -0.713 29.616 30.300 0.048 0.000 0.850 458 R HN 0.250 nan 8.270 nan 0.000 0.433 459 L N 0.993 122.264 121.223 0.079 0.000 1.997 459 L HA -0.279 4.061 4.340 -0.000 0.000 0.216 459 L C 2.184 179.113 176.870 0.099 0.000 1.074 459 L CA 1.799 56.735 54.840 0.160 0.000 0.763 459 L CB -0.736 41.433 42.059 0.183 0.000 0.890 459 L HN 0.238 nan 8.230 nan 0.000 0.434 460 C N -0.056 119.228 119.300 -0.026 0.000 2.436 460 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 460 C C 2.526 177.422 174.990 -0.157 0.000 1.241 460 C CA 1.038 59.937 59.018 -0.200 0.000 1.721 460 C CB -1.162 26.238 27.740 -0.566 0.000 2.043 460 C HN 0.626 nan 8.230 nan 0.000 0.472 461 E N 1.085 121.226 120.200 -0.099 0.000 2.147 461 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 461 E C 1.744 178.414 176.600 0.117 0.000 1.005 461 E CA 1.345 57.766 56.400 0.035 0.000 0.810 461 E CB -0.291 29.450 29.700 0.069 0.000 0.736 461 E HN 0.621 nan 8.360 nan 0.000 0.460 462 N N 0.658 119.441 118.700 0.139 0.000 2.171 462 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 462 N C 1.921 177.563 175.510 0.220 0.000 1.021 462 N CA 0.854 54.072 53.050 0.279 0.000 0.854 462 N CB -0.167 38.574 38.487 0.423 0.000 0.994 462 N HN 0.189 nan 8.380 nan 0.000 0.426 463 I N 0.990 121.489 120.570 -0.119 0.000 2.179 463 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 463 I C 2.277 178.234 176.117 -0.267 0.000 1.088 463 I CA 1.031 61.987 61.300 -0.574 0.000 1.357 463 I CB -0.321 37.287 38.000 -0.653 0.000 1.051 463 I HN 0.056 nan 8.210 nan 0.000 0.409 464 A N 0.998 123.734 122.820 -0.140 0.000 1.902 464 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 464 A C 2.447 180.121 177.584 0.150 0.000 1.181 464 A CA 1.778 53.819 52.037 0.007 0.000 0.623 464 A CB -1.457 17.602 19.000 0.098 0.000 0.818 464 A HN 0.462 nan 8.150 nan 0.000 0.443 465 G N -1.639 107.260 108.800 0.165 0.000 2.475 465 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 465 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 465 G C 1.614 176.517 174.900 0.004 0.000 1.125 465 G CA 1.360 46.434 45.100 -0.043 0.000 0.755 465 G HN 0.747 nan 8.290 nan 0.000 0.565 466 H N -0.582 118.544 119.070 0.094 0.000 2.439 466 H HA 0.129 4.684 4.556 -0.000 0.000 0.299 466 H C 2.414 177.823 175.328 0.134 0.000 1.033 466 H CA 0.640 56.810 56.048 0.203 0.000 1.348 466 H CB 0.092 30.153 29.762 0.499 0.000 1.449 466 H HN 0.204 nan 8.280 nan 0.000 0.544 467 L N 2.815 124.006 121.223 -0.052 0.000 2.127 467 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 467 L C 2.459 179.128 176.870 -0.334 0.000 1.089 467 L CA 2.060 56.590 54.840 -0.517 0.000 0.757 467 L CB -0.612 40.901 42.059 -0.910 0.000 0.899 467 L HN 0.331 nan 8.230 nan 0.000 0.434 468 K N -1.566 118.727 120.400 -0.179 0.000 2.160 468 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 468 K C 1.328 177.855 176.600 -0.122 0.000 1.047 468 K CA 1.921 58.151 56.287 -0.095 0.000 0.930 468 K CB -0.667 31.819 32.500 -0.024 0.000 0.720 468 K HN 0.327 nan 8.250 nan 0.000 0.450 469 D N 0.943 121.243 120.400 -0.167 0.000 2.349 469 D HA 0.085 4.724 4.640 -0.000 0.000 0.224 469 D C 0.276 176.506 176.300 -0.116 0.000 1.029 469 D CA 0.559 54.477 54.000 -0.136 0.000 0.879 469 D CB 0.244 40.952 40.800 -0.154 0.000 0.906 469 D HN 0.450 nan 8.370 nan 0.000 0.528 470 A N 0.488 123.225 122.820 -0.137 0.000 2.286 470 A HA 0.263 4.583 4.320 -0.000 0.000 0.286 470 A C 0.536 178.042 177.584 -0.129 0.000 1.097 470 A CA -0.468 51.502 52.037 -0.111 0.000 0.821 470 A CB 0.813 19.752 19.000 -0.103 0.000 1.076 470 A HN -0.022 nan 8.150 nan 0.000 0.490 471 Q N 0.187 119.898 119.800 -0.150 0.000 2.428 471 Q HA 0.009 4.348 4.340 -0.000 0.000 0.276 471 Q C 0.901 176.804 176.000 -0.161 0.000 1.059 471 Q CA -0.448 55.279 55.803 -0.127 0.000 0.923 471 Q CB 0.352 29.023 28.738 -0.112 0.000 1.283 471 Q HN 0.656 nan 8.270 nan 0.000 0.447 472 I N 1.916 122.465 120.570 -0.034 0.000 2.118 472 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 472 I C 2.129 178.252 176.117 0.010 0.000 1.070 472 I CA 1.649 62.946 61.300 -0.005 0.000 1.327 472 I CB -1.309 36.722 38.000 0.051 0.000 1.034 472 I HN 0.770 nan 8.210 nan 0.000 0.405 473 F N 1.148 121.102 119.950 0.007 0.000 2.202 473 F HA -0.143 4.384 4.527 -0.000 0.000 0.301 473 F C 2.299 178.114 175.800 0.025 0.000 1.082 473 F CA 1.289 59.298 58.000 0.014 0.000 1.313 473 F CB -1.172 37.839 39.000 0.018 0.000 1.024 473 F HN -0.036 nan 8.300 nan 0.000 0.495 474 I N 0.548 120.672 120.570 -0.744 0.000 2.286 474 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 474 I C 2.553 178.562 176.117 -0.181 0.000 1.104 474 I CA 1.205 62.212 61.300 -0.489 0.000 1.397 474 I CB -0.749 36.955 38.000 -0.493 0.000 1.072 474 I HN 0.253 nan 8.210 nan 0.000 0.417 475 Q N 0.849 120.534 119.800 -0.191 0.000 2.112 475 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 475 Q C 2.231 178.180 176.000 -0.086 0.000 0.987 475 Q CA 1.352 57.056 55.803 -0.166 0.000 0.858 475 Q CB -0.115 28.533 28.738 -0.151 0.000 0.905 475 Q HN 0.392 nan 8.270 nan 0.000 0.420 476 K N 0.880 121.260 120.400 -0.033 0.000 2.025 476 K HA -0.133 4.186 4.320 -0.000 0.000 0.207 476 K C 1.983 178.598 176.600 0.025 0.000 1.049 476 K CA 1.027 57.318 56.287 0.007 0.000 0.933 476 K CB -0.249 32.276 32.500 0.043 0.000 0.714 476 K HN -0.022 nan 8.250 nan 0.000 0.438 477 K N 1.420 121.848 120.400 0.047 0.000 2.009 477 K HA -0.094 4.226 4.320 -0.000 0.000 0.210 477 K C 1.997 178.622 176.600 0.042 0.000 1.049 477 K CA 1.708 58.032 56.287 0.062 0.000 0.929 477 K CB -0.597 31.965 32.500 0.104 0.000 0.714 477 K HN 0.103 nan 8.250 nan 0.000 0.440 478 A N 0.042 122.893 122.820 0.052 0.000 1.883 478 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 478 A C 2.381 180.026 177.584 0.101 0.000 1.186 478 A CA 2.087 54.175 52.037 0.085 0.000 0.624 478 A CB -0.967 18.082 19.000 0.081 0.000 0.822 478 A HN 0.147 nan 8.150 nan 0.000 0.444 479 V N 0.185 120.149 119.914 0.082 0.000 2.407 479 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 479 V C 2.534 178.664 176.094 0.059 0.000 1.055 479 V CA 2.379 64.733 62.300 0.091 0.000 1.049 479 V CB -0.636 31.184 31.823 -0.006 0.000 0.662 479 V HN 0.660 nan 8.190 nan 0.000 0.455 480 K N 0.145 120.559 120.400 0.022 0.000 2.057 480 K HA -0.220 4.099 4.320 -0.000 0.000 0.207 480 K C 2.039 178.627 176.600 -0.020 0.000 1.049 480 K CA 1.830 58.120 56.287 0.005 0.000 0.931 480 K CB -0.140 32.364 32.500 0.007 0.000 0.714 480 K HN 0.457 nan 8.250 nan 0.000 0.440 481 N N 0.369 119.028 118.700 -0.067 0.000 2.084 481 N HA -0.144 4.595 4.740 -0.000 0.000 0.190 481 N C 1.652 177.055 175.510 -0.180 0.000 1.030 481 N CA 1.196 54.156 53.050 -0.149 0.000 0.849 481 N CB -0.514 37.826 38.487 -0.244 0.000 1.012 481 N HN 0.111 nan 8.380 nan 0.000 0.423 482 F N 1.542 121.401 119.950 -0.151 0.000 2.161 482 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 482 F C 2.439 178.130 175.800 -0.182 0.000 1.089 482 F CA 1.008 58.826 58.000 -0.303 0.000 1.282 482 F CB -0.979 37.699 39.000 -0.538 0.000 1.010 482 F HN 0.025 nan 8.300 nan 0.000 0.485 483 T N -0.880 113.713 114.554 0.064 0.000 2.821 483 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 483 T C 1.764 176.481 174.700 0.029 0.000 1.046 483 T CA 1.341 63.466 62.100 0.043 0.000 1.139 483 T CB -0.269 68.610 68.868 0.020 0.000 0.871 483 T HN 0.334 nan 8.240 nan 0.000 0.454 484 E N 0.438 120.645 120.200 0.011 0.000 2.204 484 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 484 E C 2.211 178.832 176.600 0.035 0.000 0.989 484 E CA 0.603 57.005 56.400 0.004 0.000 0.824 484 E CB -0.092 29.597 29.700 -0.018 0.000 0.756 484 E HN 0.309 nan 8.360 nan 0.000 0.477 485 V N -0.347 119.617 119.914 0.083 0.000 2.323 485 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 485 V C 0.641 176.862 176.094 0.212 0.000 1.041 485 V CA 1.496 63.891 62.300 0.158 0.000 1.025 485 V CB -0.255 31.746 31.823 0.296 0.000 0.656 485 V HN 0.285 nan 8.190 nan 0.000 0.451 486 H N -2.317 116.818 119.070 0.109 0.000 3.151 486 H HA 0.261 4.817 4.556 -0.000 0.000 0.333 486 H C -2.515 172.867 175.328 0.090 0.000 1.093 486 H CA -0.968 55.136 56.048 0.093 0.000 1.342 486 H CB 2.104 31.925 29.762 0.098 0.000 1.983 486 H HN -0.180 nan 8.280 nan 0.000 0.503 487 P HA -0.207 nan 4.420 nan 0.000 0.216 487 P C 0.731 178.142 177.300 0.186 0.000 1.157 487 P CA 1.741 64.825 63.100 -0.025 0.000 0.880 487 P CB 0.319 31.932 31.700 -0.146 0.000 0.791 488 D N -2.179 118.509 120.400 0.480 0.000 2.144 488 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 488 D C 1.960 178.486 176.300 0.376 0.000 0.978 488 D CA 0.993 55.242 54.000 0.415 0.000 0.833 488 D CB -0.994 40.081 40.800 0.458 0.000 0.961 488 D HN 0.324 nan 8.370 nan 0.000 0.470 489 Y N 1.471 121.818 120.300 0.079 0.000 2.128 489 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 489 Y C 2.441 178.276 175.900 -0.108 0.000 1.154 489 Y CA 1.366 59.307 58.100 -0.265 0.000 1.149 489 Y CB -0.036 38.011 38.460 -0.687 0.000 0.976 489 Y HN -0.017 nan 8.280 nan 0.000 0.505 490 G N -0.591 108.236 108.800 0.045 0.000 2.394 490 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.214 490 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.214 490 G C 1.763 176.659 174.900 -0.007 0.000 1.176 490 G CA 1.053 46.129 45.100 -0.040 0.000 0.786 490 G HN 0.526 nan 8.290 nan 0.000 0.533 491 S N 0.282 116.020 115.700 0.062 0.000 2.353 491 S HA -0.279 4.191 4.470 -0.000 0.000 0.222 491 S C 2.169 176.821 174.600 0.088 0.000 1.035 491 S CA 1.807 60.041 58.200 0.058 0.000 1.025 491 S CB -0.913 62.328 63.200 0.068 0.000 0.902 491 S HN 0.433 nan 8.310 nan 0.000 0.440 492 H N 2.254 121.335 119.070 0.018 0.000 2.319 492 H HA 0.006 4.562 4.556 -0.000 0.000 0.297 492 H C 1.951 177.243 175.328 -0.060 0.000 1.097 492 H CA 1.993 58.045 56.048 0.007 0.000 1.285 492 H CB -0.769 29.041 29.762 0.080 0.000 1.368 492 H HN 0.508 nan 8.280 nan 0.000 0.495 493 I N 0.139 120.706 120.570 -0.006 0.000 2.142 493 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 493 I C 2.701 178.740 176.117 -0.130 0.000 1.078 493 I CA 1.667 62.854 61.300 -0.188 0.000 1.343 493 I CB -0.347 37.410 38.000 -0.405 0.000 1.046 493 I HN 0.267 nan 8.210 nan 0.000 0.405 494 Q N 1.316 121.061 119.800 -0.092 0.000 2.077 494 Q HA -0.244 4.095 4.340 -0.000 0.000 0.206 494 Q C 2.148 178.106 176.000 -0.069 0.000 0.989 494 Q CA 2.647 58.405 55.803 -0.076 0.000 0.853 494 Q CB -0.507 28.204 28.738 -0.045 0.000 0.907 494 Q HN 0.505 nan 8.270 nan 0.000 0.418 495 A N 0.169 122.966 122.820 -0.038 0.000 1.892 495 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 495 A C 2.210 179.726 177.584 -0.114 0.000 1.188 495 A CA 1.799 53.805 52.037 -0.051 0.000 0.631 495 A CB -1.003 17.985 19.000 -0.019 0.000 0.822 495 A HN 0.478 nan 8.150 nan 0.000 0.447 496 L N -0.772 120.372 121.223 -0.132 0.000 2.042 496 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 496 L C 2.640 179.223 176.870 -0.478 0.000 1.076 496 L CA 1.186 55.822 54.840 -0.340 0.000 0.749 496 L CB -0.592 41.300 42.059 -0.278 0.000 0.893 496 L HN 0.400 nan 8.230 nan 0.000 0.432 497 L N -0.456 120.629 121.223 -0.229 0.000 2.042 497 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 497 L C 2.338 179.152 176.870 -0.093 0.000 1.076 497 L CA 1.236 56.012 54.840 -0.106 0.000 0.749 497 L CB -0.736 41.273 42.059 -0.083 0.000 0.893 497 L HN 0.323 nan 8.230 nan 0.000 0.432 498 D N 0.276 120.613 120.400 -0.106 0.000 2.133 498 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 498 D C 2.162 178.418 176.300 -0.074 0.000 0.997 498 D CA 1.346 55.303 54.000 -0.071 0.000 0.840 498 D CB -0.090 40.671 40.800 -0.065 0.000 0.947 498 D HN 0.327 nan 8.370 nan 0.000 0.452 499 K N -0.256 120.053 120.400 -0.150 0.000 1.985 499 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 499 K C 2.323 178.913 176.600 -0.017 0.000 1.047 499 K CA 0.942 57.152 56.287 -0.128 0.000 0.932 499 K CB -0.339 32.021 32.500 -0.233 0.000 0.716 499 K HN 0.135 nan 8.250 nan 0.000 0.439 500 Y N 1.471 121.759 120.300 -0.021 0.000 2.151 500 Y HA -0.184 4.365 4.550 -0.000 0.000 0.284 500 Y C 1.098 176.983 175.900 -0.026 0.000 1.166 500 Y CA 0.562 58.648 58.100 -0.024 0.000 1.163 500 Y CB -1.237 37.201 38.460 -0.037 0.000 0.974 500 Y HN 0.173 nan 8.280 nan 0.000 0.511 501 N N 0.000 118.775 118.700 0.125 0.000 1.763 501 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 501 N CA 0.000 53.085 53.050 0.059 0.000 0.885 501 N CB 0.000 38.504 38.487 0.028 0.000 1.341 501 N HN 0.000 nan 8.380 nan 0.000 0.667