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 2vbi_1_H DATA FIRST_RESID 2 DATA SEQUENCE TYTVGMYLAE RLVQIGLKHH FAVAGDYNLV LLDQLLLNKD MKQIYCCNEL DATA SEQUENCE NCGFSAEGYA RSNGAAAAVV TFSVGAISAM NALGGAYAEN LPVILISGAP DATA SEQUENCE NSNDQGTGHI LHHTIGKTDY SYQLEMARQV TCAAESITDA HSAPAKIDHV DATA SEQUENCE IRTALRERKP AYLDIACNIA SEPCVRPGPV SSLLSEPEID HTSLKAAVDA DATA SEQUENCE TVALLEKSAS PVMLLGSKLR AANALAATET LADKLQCAVT IMAAAKGFFP DATA SEQUENCE EDHAGFRGLY WGEVSNPGVQ ELVETSDALL CIAPVFNDYS TVGWSAWPKG DATA SEQUENCE PNVILAEPDR VTVDGRAYDG FTLRAFLQAL AEKAPARPAS AQKSSVPTCS DATA SEQUENCE LTATSDEAGL TNDEIVRHIN ALLTSNTTLV AETGDSWFNA MRMTLPRGAR DATA SEQUENCE VELEMQWGHI GWSVPSAFGN AMGSQDRQHV VMVGDGSFQL TAQEVAQMVR DATA SEQUENCE YELPVIIFLI NNRGYVIEIA IHDGPYNYIK NWDYAGLMEV FNAGEGHGLG DATA SEQUENCE LKATTPKELT EAIARAKANT RGPTLIECQI DRTDCTDMLV QWGRKVASTN DATA SEQUENCE ARKT 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.774 174.700 0.123 0.000 1.109 2 T CA 0.000 62.156 62.100 0.094 0.000 1.349 2 T CB 0.000 68.901 68.868 0.054 0.000 0.612 3 Y N 5.011 125.325 120.300 0.023 0.000 2.341 3 Y HA 0.591 5.141 4.550 0.000 0.000 0.340 3 Y C 0.790 176.713 175.900 0.038 0.000 0.997 3 Y CA 0.053 58.172 58.100 0.032 0.000 1.149 3 Y CB 1.231 39.714 38.460 0.038 0.000 1.171 3 Y HN 0.789 nan 8.280 nan 0.000 0.494 4 T N 0.902 115.292 114.554 -0.274 0.000 2.948 4 T HA 0.305 4.655 4.350 0.000 0.000 0.285 4 T C 0.938 175.551 174.700 -0.145 0.000 1.019 4 T CA -0.668 61.348 62.100 -0.140 0.000 1.013 4 T CB 1.223 70.022 68.868 -0.115 0.000 1.117 4 T HN 0.411 nan 8.240 nan 0.000 0.533 5 V N 1.811 121.694 119.914 -0.052 0.000 2.282 5 V HA -0.085 4.035 4.120 0.000 0.000 0.249 5 V C 2.911 178.993 176.094 -0.019 0.000 1.057 5 V CA 2.579 64.861 62.300 -0.029 0.000 1.032 5 V CB -1.507 30.291 31.823 -0.043 0.000 0.645 5 V HN 1.116 nan 8.190 nan 0.000 0.447 6 G N -0.961 107.802 108.800 -0.062 0.000 2.422 6 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 6 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 6 G C 1.588 176.423 174.900 -0.108 0.000 1.146 6 G CA 1.042 46.101 45.100 -0.067 0.000 0.769 6 G HN 0.461 nan 8.290 nan 0.000 0.547 7 M N -1.034 118.433 119.600 -0.222 0.000 2.175 7 M HA 0.038 4.518 4.480 0.000 0.000 0.264 7 M C 2.345 178.516 176.300 -0.214 0.000 1.063 7 M CA 0.985 56.074 55.300 -0.352 0.000 1.119 7 M CB -0.332 31.799 32.600 -0.782 0.000 1.377 7 M HN 0.299 nan 8.290 nan 0.000 0.415 8 Y N 1.376 121.544 120.300 -0.221 0.000 2.128 8 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 8 Y C 2.182 178.087 175.900 0.008 0.000 1.154 8 Y CA 1.734 59.875 58.100 0.067 0.000 1.149 8 Y CB -0.356 38.175 38.460 0.119 0.000 0.976 8 Y HN 0.100 nan 8.280 nan 0.000 0.505 9 L N 0.631 121.974 121.223 0.201 0.000 2.042 9 L HA -0.142 4.198 4.340 0.000 0.000 0.210 9 L C 2.417 179.257 176.870 -0.049 0.000 1.076 9 L CA 2.217 57.105 54.840 0.080 0.000 0.749 9 L CB -1.315 40.760 42.059 0.026 0.000 0.893 9 L HN 0.273 nan 8.230 nan 0.000 0.432 10 A N -0.879 121.890 122.820 -0.086 0.000 1.877 10 A HA -0.274 4.046 4.320 0.000 0.000 0.216 10 A C 2.341 179.867 177.584 -0.098 0.000 1.186 10 A CA 1.838 53.800 52.037 -0.126 0.000 0.620 10 A CB -0.770 18.155 19.000 -0.124 0.000 0.822 10 A HN 0.610 nan 8.150 nan 0.000 0.443 11 E N -0.902 119.250 120.200 -0.081 0.000 2.150 11 E HA -0.181 4.169 4.350 0.000 0.000 0.193 11 E C 2.242 178.769 176.600 -0.121 0.000 0.985 11 E CA 0.674 57.026 56.400 -0.079 0.000 0.814 11 E CB 0.016 29.694 29.700 -0.036 0.000 0.752 11 E HN 0.315 nan 8.360 nan 0.000 0.466 12 R N 0.214 120.616 120.500 -0.164 0.000 2.075 12 R HA -0.072 4.268 4.340 0.000 0.000 0.232 12 R C 2.460 178.715 176.300 -0.075 0.000 1.126 12 R CA 0.741 56.758 56.100 -0.138 0.000 0.963 12 R CB -0.702 29.521 30.300 -0.129 0.000 0.858 12 R HN 0.320 nan 8.270 nan 0.000 0.435 13 L N 0.257 121.437 121.223 -0.071 0.000 2.046 13 L HA -0.156 4.184 4.340 0.000 0.000 0.208 13 L C 2.447 179.295 176.870 -0.037 0.000 1.077 13 L CA 0.985 55.793 54.840 -0.054 0.000 0.747 13 L CB -0.559 41.448 42.059 -0.087 0.000 0.896 13 L HN -0.062 nan 8.230 nan 0.000 0.432 14 V N -0.494 119.390 119.914 -0.051 0.000 2.407 14 V HA -0.303 3.818 4.120 0.000 0.000 0.248 14 V C 2.403 178.480 176.094 -0.028 0.000 1.055 14 V CA 1.657 63.935 62.300 -0.037 0.000 1.049 14 V CB -0.506 31.290 31.823 -0.044 0.000 0.662 14 V HN 0.506 nan 8.190 nan 0.000 0.455 15 Q N -0.727 119.049 119.800 -0.041 0.000 2.224 15 Q HA -0.073 4.268 4.340 0.000 0.000 0.203 15 Q C 2.197 178.184 176.000 -0.021 0.000 0.970 15 Q CA 1.232 57.014 55.803 -0.036 0.000 0.865 15 Q CB -0.151 28.555 28.738 -0.054 0.000 0.922 15 Q HN 0.610 nan 8.270 nan 0.000 0.445 16 I N -0.646 119.916 120.570 -0.013 0.000 2.454 16 I HA -0.155 4.015 4.170 0.000 0.000 0.254 16 I C 1.318 177.445 176.117 0.017 0.000 1.156 16 I CA 1.123 62.426 61.300 0.004 0.000 1.433 16 I CB -0.114 37.895 38.000 0.016 0.000 1.082 16 I HN 0.420 nan 8.210 nan 0.000 0.432 17 G N 0.547 109.360 108.800 0.021 0.000 2.154 17 G HA2 -0.168 3.792 3.960 0.000 0.000 0.186 17 G HA3 -0.168 3.792 3.960 0.000 0.000 0.186 17 G C -0.120 174.827 174.900 0.078 0.000 1.000 17 G CA -0.672 44.448 45.100 0.033 0.000 0.664 17 G HN 0.068 nan 8.290 nan 0.000 0.513 18 L N 0.624 121.903 121.223 0.092 0.000 2.416 18 L HA 0.487 4.827 4.340 0.000 0.000 0.272 18 L C 1.443 178.366 176.870 0.088 0.000 1.161 18 L CA 0.404 55.340 54.840 0.160 0.000 0.845 18 L CB 1.015 43.133 42.059 0.097 0.000 1.119 18 L HN 0.075 nan 8.230 nan 0.000 0.464 19 K N 1.934 122.423 120.400 0.148 0.000 2.402 19 K HA 0.262 4.582 4.320 0.000 0.000 0.204 19 K C -0.500 175.779 176.600 -0.535 0.000 1.056 19 K CA -0.027 56.187 56.287 -0.122 0.000 1.069 19 K CB 0.622 33.075 32.500 -0.080 0.000 0.888 19 K HN 0.614 nan 8.250 nan 0.000 0.546 20 H N -0.136 118.820 119.070 -0.190 0.000 3.012 20 H HA 0.322 4.878 4.556 0.000 0.000 0.367 20 H C -0.570 174.387 175.328 -0.618 0.000 1.211 20 H CA -0.929 54.790 56.048 -0.548 0.000 1.139 20 H CB 1.326 30.586 29.762 -0.838 0.000 1.838 20 H HN 0.058 nan 8.280 nan 0.000 0.550 21 H N 0.467 119.185 119.070 -0.588 0.000 2.895 21 H HA 0.476 5.032 4.556 0.000 0.000 0.373 21 H C -1.601 173.349 175.328 -0.629 0.000 1.174 21 H CA -0.999 54.756 56.048 -0.489 0.000 1.144 21 H CB 1.163 30.794 29.762 -0.218 0.000 1.793 21 H HN 0.362 nan 8.280 nan 0.000 0.551 22 F N 0.688 120.547 119.950 -0.151 0.000 2.450 22 F HA 0.716 5.243 4.527 0.000 0.000 0.332 22 F C 0.275 176.076 175.800 0.002 0.000 1.093 22 F CA -0.422 57.498 58.000 -0.132 0.000 1.003 22 F CB 2.149 41.105 39.000 -0.073 0.000 1.151 22 F HN 0.874 nan 8.300 nan 0.000 0.474 23 A N 1.504 124.445 122.820 0.202 0.000 2.572 23 A HA 0.850 5.170 4.320 0.000 0.000 0.295 23 A C -1.892 175.872 177.584 0.301 0.000 1.072 23 A CA -0.744 51.445 52.037 0.254 0.000 0.691 23 A CB 1.593 20.762 19.000 0.281 0.000 1.291 23 A HN 0.498 nan 8.150 nan 0.000 0.404 24 V N 1.273 121.317 119.914 0.218 0.000 2.487 24 V HA 0.669 4.789 4.120 0.000 0.000 0.298 24 V C 0.681 176.853 176.094 0.130 0.000 1.028 24 V CA -0.345 62.055 62.300 0.168 0.000 0.860 24 V CB 1.352 33.246 31.823 0.117 0.000 0.991 24 V HN 1.458 nan 8.190 nan 0.000 0.427 25 A N 3.385 126.253 122.820 0.080 0.000 2.445 25 A HA 0.795 5.115 4.320 0.000 0.000 0.242 25 A C 0.572 178.200 177.584 0.073 0.000 1.075 25 A CA 0.586 52.658 52.037 0.058 0.000 0.777 25 A CB 0.408 19.397 19.000 -0.018 0.000 1.013 25 A HN 1.416 nan 8.150 nan 0.000 0.493 26 G N 0.438 109.297 108.800 0.098 0.000 2.698 26 G HA2 0.459 4.419 3.960 0.000 0.000 0.293 26 G HA3 0.459 4.419 3.960 0.000 0.000 0.293 26 G C 0.047 175.015 174.900 0.113 0.000 1.437 26 G CA 0.228 45.405 45.100 0.128 0.000 0.852 26 G HN 0.676 nan 8.290 nan 0.000 0.499 27 D N -0.275 120.165 120.400 0.067 0.000 2.190 27 D HA -0.218 4.422 4.640 0.000 0.000 0.200 27 D C 1.280 177.580 176.300 0.000 0.000 0.992 27 D CA 1.399 55.384 54.000 -0.025 0.000 0.854 27 D CB -0.218 40.499 40.800 -0.138 0.000 0.936 27 D HN 0.371 nan 8.370 nan 0.000 0.462 28 Y N 1.071 121.461 120.300 0.150 0.000 2.574 28 Y HA -0.030 4.520 4.550 0.000 0.000 0.294 28 Y C 1.570 177.509 175.900 0.064 0.000 1.142 28 Y CA 1.273 59.427 58.100 0.090 0.000 1.314 28 Y CB -0.418 38.104 38.460 0.103 0.000 0.991 28 Y HN 0.266 nan 8.280 nan 0.000 0.555 29 N N -1.568 117.257 118.700 0.209 0.000 2.143 29 N HA 0.034 4.774 4.740 0.000 0.000 0.222 29 N C 0.886 176.455 175.510 0.098 0.000 1.264 29 N CA 0.162 53.297 53.050 0.141 0.000 0.897 29 N CB -0.870 37.703 38.487 0.143 0.000 1.092 29 N HN 0.245 nan 8.380 nan 0.000 0.516 30 L N 0.026 121.297 121.223 0.080 0.000 2.012 30 L HA -0.087 4.253 4.340 0.000 0.000 0.210 30 L C 1.955 178.853 176.870 0.046 0.000 1.073 30 L CA 1.225 56.097 54.840 0.054 0.000 0.748 30 L CB -0.554 41.522 42.059 0.029 0.000 0.891 30 L HN 0.014 nan 8.230 nan 0.000 0.431 31 V N -0.011 119.927 119.914 0.039 0.000 2.343 31 V HA -0.280 3.840 4.120 0.000 0.000 0.247 31 V C 2.418 178.526 176.094 0.023 0.000 1.051 31 V CA 1.633 63.949 62.300 0.026 0.000 1.036 31 V CB -0.442 31.393 31.823 0.021 0.000 0.654 31 V HN 0.327 nan 8.190 nan 0.000 0.451 32 L N -0.143 121.099 121.223 0.032 0.000 2.012 32 L HA -0.163 4.177 4.340 0.000 0.000 0.210 32 L C 2.214 179.101 176.870 0.027 0.000 1.073 32 L CA 1.918 56.770 54.840 0.019 0.000 0.748 32 L CB -0.599 41.475 42.059 0.025 0.000 0.891 32 L HN 0.210 nan 8.230 nan 0.000 0.431 33 L N -0.617 120.644 121.223 0.063 0.000 2.079 33 L HA -0.241 4.099 4.340 0.000 0.000 0.210 33 L C 2.299 179.220 176.870 0.084 0.000 1.081 33 L CA 1.407 56.309 54.840 0.104 0.000 0.752 33 L CB -0.989 41.154 42.059 0.139 0.000 0.896 33 L HN 0.319 nan 8.230 nan 0.000 0.433 34 D N -0.470 119.962 120.400 0.052 0.000 2.104 34 D HA -0.180 4.460 4.640 0.000 0.000 0.194 34 D C 2.377 178.684 176.300 0.013 0.000 0.994 34 D CA 1.012 55.033 54.000 0.034 0.000 0.830 34 D CB -0.171 40.641 40.800 0.020 0.000 0.959 34 D HN 0.282 nan 8.370 nan 0.000 0.452 35 Q N 0.240 120.036 119.800 -0.008 0.000 2.084 35 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 35 Q C 2.662 178.632 176.000 -0.051 0.000 0.978 35 Q CA 0.579 56.355 55.803 -0.045 0.000 0.844 35 Q CB -0.608 28.090 28.738 -0.067 0.000 0.898 35 Q HN 0.384 nan 8.270 nan 0.000 0.426 36 L N -0.014 121.188 121.223 -0.035 0.000 2.141 36 L HA -0.136 4.204 4.340 0.000 0.000 0.209 36 L C 2.318 179.203 176.870 0.024 0.000 1.094 36 L CA 0.601 55.408 54.840 -0.055 0.000 0.763 36 L CB -0.419 41.572 42.059 -0.113 0.000 0.908 36 L HN 0.149 nan 8.230 nan 0.000 0.437 37 L N -0.570 120.688 121.223 0.059 0.000 2.265 37 L HA -0.196 4.144 4.340 0.000 0.000 0.215 37 L C 2.254 179.138 176.870 0.024 0.000 1.117 37 L CA 0.829 55.705 54.840 0.061 0.000 0.782 37 L CB -0.275 41.827 42.059 0.071 0.000 0.914 37 L HN 0.292 nan 8.230 nan 0.000 0.441 38 L N -0.767 120.457 121.223 0.003 0.000 2.465 38 L HA -0.088 4.252 4.340 0.000 0.000 0.224 38 L C 1.049 177.913 176.870 -0.010 0.000 1.145 38 L CA 0.209 55.045 54.840 -0.007 0.000 0.834 38 L CB -0.410 41.635 42.059 -0.023 0.000 0.944 38 L HN 0.261 nan 8.230 nan 0.000 0.451 39 N N 0.956 119.647 118.700 -0.015 0.000 2.415 39 N HA 0.012 4.752 4.740 0.000 0.000 0.246 39 N C 0.567 176.067 175.510 -0.017 0.000 1.078 39 N CA -0.015 53.025 53.050 -0.018 0.000 0.942 39 N CB 0.980 39.446 38.487 -0.034 0.000 1.140 39 N HN -0.049 nan 8.380 nan 0.000 0.501 40 K N 1.700 122.090 120.400 -0.017 0.000 2.525 40 K HA 0.009 4.329 4.320 0.000 0.000 0.192 40 K C 0.220 176.794 176.600 -0.043 0.000 1.029 40 K CA 0.384 56.656 56.287 -0.025 0.000 1.029 40 K CB 0.352 32.842 32.500 -0.016 0.000 0.814 40 K HN 0.511 nan 8.250 nan 0.000 0.503 41 D N 0.757 121.131 120.400 -0.043 0.000 2.363 41 D HA 0.001 4.641 4.640 0.000 0.000 0.220 41 D C 0.958 177.204 176.300 -0.091 0.000 0.994 41 D CA 0.498 54.465 54.000 -0.056 0.000 0.890 41 D CB 0.189 40.964 40.800 -0.042 0.000 0.906 41 D HN 0.346 nan 8.370 nan 0.000 0.530 42 M N -1.863 117.678 119.600 -0.099 0.000 2.575 42 M HA 0.455 4.935 4.480 0.000 0.000 0.284 42 M C -1.405 174.783 176.300 -0.186 0.000 1.253 42 M CA -0.976 54.224 55.300 -0.167 0.000 0.861 42 M CB 2.876 35.416 32.600 -0.099 0.000 1.733 42 M HN -0.480 nan 8.290 nan 0.000 0.462 43 K N 1.644 121.833 120.400 -0.352 0.000 2.164 43 K HA 0.374 4.694 4.320 0.000 0.000 0.258 43 K C -1.268 175.008 176.600 -0.540 0.000 0.951 43 K CA -0.613 55.468 56.287 -0.343 0.000 0.844 43 K CB 2.380 34.692 32.500 -0.313 0.000 1.099 43 K HN 0.740 nan 8.250 nan 0.000 0.435 44 Q N 3.785 123.244 119.800 -0.568 0.000 2.331 44 Q HA 0.329 4.669 4.340 0.000 0.000 0.257 44 Q C -0.855 174.574 176.000 -0.952 0.000 0.957 44 Q CA -0.587 54.645 55.803 -0.952 0.000 0.923 44 Q CB 0.558 28.991 28.738 -0.509 0.000 1.212 44 Q HN 0.629 nan 8.270 nan 0.000 0.443 45 I N 0.866 120.822 120.570 -1.023 0.000 2.693 45 I HA 0.551 4.721 4.170 0.000 0.000 0.303 45 I C -1.606 174.125 176.117 -0.643 0.000 1.025 45 I CA -0.904 59.860 61.300 -0.893 0.000 1.086 45 I CB 1.357 38.824 38.000 -0.889 0.000 1.268 45 I HN 0.420 nan 8.210 nan 0.000 0.440 46 Y N 3.320 123.752 120.300 0.220 0.000 2.446 46 Y HA 0.715 5.265 4.550 0.000 0.000 0.338 46 Y C 0.048 176.094 175.900 0.244 0.000 1.055 46 Y CA -0.935 57.289 58.100 0.206 0.000 1.101 46 Y CB 1.607 40.157 38.460 0.151 0.000 1.221 46 Y HN 0.683 nan 8.280 nan 0.000 0.460 47 C N -0.069 119.427 119.300 0.326 0.000 2.595 47 C HA 0.385 4.845 4.460 0.000 0.000 0.338 47 C C 1.493 176.543 174.990 0.099 0.000 1.219 47 C CA -0.621 58.504 59.018 0.179 0.000 1.811 47 C CB 1.520 29.361 27.740 0.170 0.000 2.313 47 C HN 1.118 nan 8.230 nan 0.000 0.499 48 C N 1.386 120.695 119.300 0.016 0.000 2.489 48 C HA 0.017 4.477 4.460 0.000 0.000 0.279 48 C C 0.968 175.971 174.990 0.022 0.000 1.266 48 C CA 0.934 59.949 59.018 -0.004 0.000 1.707 48 C CB -1.453 26.254 27.740 -0.055 0.000 2.059 48 C HN 1.007 nan 8.230 nan 0.000 0.481 49 N N -0.507 118.210 118.700 0.028 0.000 2.571 49 N HA 0.306 5.046 4.740 0.000 0.000 0.273 49 N C -0.375 175.160 175.510 0.042 0.000 1.340 49 N CA -0.591 52.482 53.050 0.038 0.000 0.789 49 N CB 0.467 38.977 38.487 0.038 0.000 1.514 49 N HN -0.075 nan 8.380 nan 0.000 0.499 50 E N -0.428 119.793 120.200 0.035 0.000 2.208 50 E HA 0.025 4.375 4.350 0.000 0.000 0.193 50 E C 1.363 177.954 176.600 -0.015 0.000 0.988 50 E CA 0.413 56.826 56.400 0.022 0.000 0.828 50 E CB -0.159 29.552 29.700 0.018 0.000 0.763 50 E HN 0.532 nan 8.360 nan 0.000 0.478 51 L N 1.125 122.344 121.223 -0.006 0.000 1.994 51 L HA -0.187 4.153 4.340 0.000 0.000 0.208 51 L C 1.393 178.252 176.870 -0.019 0.000 1.071 51 L CA 1.810 56.623 54.840 -0.045 0.000 0.745 51 L CB -0.494 41.597 42.059 0.054 0.000 0.892 51 L HN 0.036 nan 8.230 nan 0.000 0.431 52 N N -1.064 117.678 118.700 0.070 0.000 2.166 52 N HA -0.213 4.527 4.740 0.000 0.000 0.186 52 N C 2.025 177.565 175.510 0.050 0.000 1.019 52 N CA 1.459 54.569 53.050 0.100 0.000 0.856 52 N CB -1.112 37.401 38.487 0.043 0.000 0.993 52 N HN 0.542 nan 8.380 nan 0.000 0.426 53 C N 0.431 119.746 119.300 0.026 0.000 2.413 53 C HA -0.031 4.429 4.460 0.000 0.000 0.276 53 C C 2.756 177.707 174.990 -0.065 0.000 1.236 53 C CA 1.389 60.422 59.018 0.025 0.000 1.735 53 C CB -1.300 26.485 27.740 0.074 0.000 2.031 53 C HN 0.535 nan 8.230 nan 0.000 0.474 54 G N -0.932 107.808 108.800 -0.101 0.000 2.418 54 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 54 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 54 G C 1.333 176.138 174.900 -0.159 0.000 1.158 54 G CA 0.817 45.812 45.100 -0.175 0.000 0.771 54 G HN 0.484 nan 8.290 nan 0.000 0.545 55 F N 1.692 121.607 119.950 -0.058 0.000 2.325 55 F HA 0.061 4.588 4.527 0.000 0.000 0.299 55 F C 2.960 178.670 175.800 -0.151 0.000 1.090 55 F CA 0.796 58.770 58.000 -0.042 0.000 1.392 55 F CB -0.331 38.662 39.000 -0.012 0.000 1.053 55 F HN 0.082 nan 8.300 nan 0.000 0.521 56 S N -0.044 115.606 115.700 -0.084 0.000 2.368 56 S HA -0.148 4.323 4.470 0.000 0.000 0.224 56 S C 2.428 176.612 174.600 -0.694 0.000 1.029 56 S CA 1.038 58.990 58.200 -0.413 0.000 0.988 56 S CB -0.627 62.224 63.200 -0.581 0.000 0.838 56 S HN 0.348 nan 8.310 nan 0.000 0.462 57 A N 1.612 124.085 122.820 -0.578 0.000 1.902 57 A HA -0.148 4.172 4.320 0.000 0.000 0.217 57 A C 2.087 179.657 177.584 -0.023 0.000 1.181 57 A CA 1.486 53.348 52.037 -0.291 0.000 0.623 57 A CB -0.590 18.359 19.000 -0.085 0.000 0.818 57 A HN 0.459 nan 8.150 nan 0.000 0.443 58 E N -0.113 120.106 120.200 0.032 0.000 2.070 58 E HA -0.190 4.160 4.350 0.000 0.000 0.197 58 E C 2.160 178.860 176.600 0.167 0.000 1.004 58 E CA 1.527 58.022 56.400 0.157 0.000 0.805 58 E CB -0.530 29.370 29.700 0.334 0.000 0.744 58 E HN 0.503 nan 8.360 nan 0.000 0.451 59 G N -0.294 108.563 108.800 0.095 0.000 2.418 59 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 59 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 59 G C 1.544 176.478 174.900 0.057 0.000 1.158 59 G CA 0.920 46.046 45.100 0.043 0.000 0.771 59 G HN 0.384 nan 8.290 nan 0.000 0.545 60 Y N 1.872 122.126 120.300 -0.077 0.000 2.181 60 Y HA -0.019 4.531 4.550 0.000 0.000 0.288 60 Y C 2.980 178.904 175.900 0.041 0.000 1.146 60 Y CA 1.437 59.536 58.100 -0.001 0.000 1.164 60 Y CB -0.215 38.317 38.460 0.121 0.000 0.982 60 Y HN 0.258 nan 8.280 nan 0.000 0.515 61 A N 0.415 123.365 122.820 0.217 0.000 1.940 61 A HA -0.250 4.071 4.320 0.000 0.000 0.219 61 A C 2.237 179.853 177.584 0.053 0.000 1.176 61 A CA 1.954 54.071 52.037 0.133 0.000 0.631 61 A CB -0.648 18.425 19.000 0.123 0.000 0.814 61 A HN 0.543 nan 8.150 nan 0.000 0.446 62 R N -0.067 120.473 120.500 0.067 0.000 2.091 62 R HA -0.131 4.209 4.340 0.000 0.000 0.238 62 R C 2.565 178.870 176.300 0.009 0.000 1.136 62 R CA 1.883 58.022 56.100 0.065 0.000 0.959 62 R CB -0.264 30.112 30.300 0.128 0.000 0.856 62 R HN 0.743 nan 8.270 nan 0.000 0.437 63 S N -0.972 114.696 115.700 -0.053 0.000 2.475 63 S HA -0.009 4.461 4.470 0.000 0.000 0.224 63 S C 1.568 176.075 174.600 -0.156 0.000 1.042 63 S CA 0.712 58.856 58.200 -0.094 0.000 0.935 63 S CB -0.002 63.137 63.200 -0.101 0.000 0.801 63 S HN 0.303 nan 8.310 nan 0.000 0.509 64 N N 0.642 119.200 118.700 -0.237 0.000 2.402 64 N HA 0.300 5.040 4.740 0.000 0.000 0.174 64 N C 1.264 176.736 175.510 -0.064 0.000 1.027 64 N CA 1.116 54.040 53.050 -0.209 0.000 0.891 64 N CB 0.337 38.588 38.487 -0.394 0.000 1.016 64 N HN 0.538 nan 8.380 nan 0.000 0.439 65 G N -1.081 107.704 108.800 -0.026 0.000 2.481 65 G HA2 0.094 4.054 3.960 0.000 0.000 0.200 65 G HA3 0.094 4.054 3.960 0.000 0.000 0.200 65 G C 0.020 174.940 174.900 0.032 0.000 1.012 65 G CA -0.017 45.082 45.100 -0.002 0.000 0.676 65 G HN 0.742 nan 8.290 nan 0.000 0.488 66 A N -0.901 121.970 122.820 0.085 0.000 2.581 66 A HA 1.135 5.455 4.320 0.000 0.000 0.290 66 A C -0.383 177.339 177.584 0.232 0.000 1.119 66 A CA 0.519 52.624 52.037 0.113 0.000 0.670 66 A CB 0.851 19.895 19.000 0.074 0.000 1.280 66 A HN 2.227 nan 8.150 nan 0.000 0.425 67 A N -1.094 121.841 122.820 0.190 0.000 2.581 67 A HA 1.037 5.357 4.320 0.000 0.000 0.290 67 A C -0.719 176.936 177.584 0.118 0.000 1.119 67 A CA -0.023 52.145 52.037 0.218 0.000 0.670 67 A CB 0.801 19.967 19.000 0.276 0.000 1.280 67 A HN 2.657 nan 8.150 nan 0.000 0.425 68 A N -0.620 122.269 122.820 0.115 0.000 2.455 68 A HA 0.934 5.254 4.320 0.000 0.000 0.300 68 A C -0.480 177.204 177.584 0.166 0.000 1.040 68 A CA 0.141 52.234 52.037 0.095 0.000 0.697 68 A CB 1.292 20.316 19.000 0.040 0.000 1.265 68 A HN 2.538 nan 8.150 nan 0.000 0.407 69 A N 1.129 124.023 122.820 0.122 0.000 2.414 69 A HA 0.755 5.075 4.320 0.000 0.000 0.306 69 A C -1.115 176.533 177.584 0.107 0.000 1.054 69 A CA -0.514 51.613 52.037 0.151 0.000 0.724 69 A CB 1.533 20.593 19.000 0.101 0.000 1.267 69 A HN 1.406 nan 8.150 nan 0.000 0.418 70 V N 2.902 122.901 119.914 0.141 0.000 2.409 70 V HA 0.631 4.751 4.120 0.000 0.000 0.291 70 V C 0.090 176.255 176.094 0.119 0.000 1.020 70 V CA -0.365 62.003 62.300 0.112 0.000 0.848 70 V CB 0.988 32.892 31.823 0.135 0.000 0.990 70 V HN 1.170 nan 8.190 nan 0.000 0.430 71 V N 1.619 121.589 119.914 0.093 0.000 3.158 71 V HA 0.791 4.911 4.120 0.000 0.000 0.311 71 V C -0.198 175.969 176.094 0.122 0.000 1.181 71 V CA -0.623 61.737 62.300 0.100 0.000 1.054 71 V CB 2.029 33.896 31.823 0.073 0.000 1.085 71 V HN 0.686 nan 8.190 nan 0.000 0.446 72 T N 0.395 115.032 114.554 0.138 0.000 2.934 72 T HA 0.550 4.900 4.350 0.000 0.000 0.283 72 T C -0.604 174.225 174.700 0.215 0.000 1.005 72 T CA -0.334 61.901 62.100 0.225 0.000 1.041 72 T CB 0.680 69.704 68.868 0.261 0.000 1.042 72 T HN 0.690 nan 8.240 nan 0.000 0.505 73 F N 3.085 123.107 119.950 0.120 0.000 2.607 73 F HA 0.217 4.744 4.527 0.000 0.000 0.374 73 F C 1.713 177.534 175.800 0.036 0.000 1.104 73 F CA 1.342 59.328 58.000 -0.023 0.000 1.296 73 F CB -0.287 38.493 39.000 -0.367 0.000 1.085 73 F HN 0.912 nan 8.300 nan 0.000 0.584 74 S N 1.180 116.518 115.700 -0.603 0.000 4.024 74 S HA -0.358 4.112 4.470 0.000 0.000 0.420 74 S C 1.572 176.105 174.600 -0.111 0.000 1.771 74 S CA 2.394 60.399 58.200 -0.325 0.000 4.062 74 S CB -1.836 61.291 63.200 -0.122 0.000 0.800 74 S HN 1.135 nan 8.310 nan 0.000 0.459 75 V N 0.676 120.536 119.914 -0.091 0.000 2.490 75 V HA 0.090 4.210 4.120 0.000 0.000 0.250 75 V C 2.167 178.219 176.094 -0.069 0.000 1.061 75 V CA 2.561 64.799 62.300 -0.103 0.000 1.064 75 V CB -1.548 30.128 31.823 -0.246 0.000 0.670 75 V HN 0.704 nan 8.190 nan 0.000 0.461 76 G N -0.346 108.421 108.800 -0.055 0.000 2.471 76 G HA2 0.122 4.082 3.960 0.000 0.000 0.211 76 G HA3 0.122 4.082 3.960 0.000 0.000 0.211 76 G C 1.721 176.615 174.900 -0.010 0.000 1.194 76 G CA 0.813 45.907 45.100 -0.010 0.000 0.816 76 G HN 0.779 nan 8.290 nan 0.000 0.545 77 A N 0.865 123.670 122.820 -0.024 0.000 1.908 77 A HA 0.005 4.326 4.320 0.000 0.000 0.218 77 A C 2.395 179.965 177.584 -0.024 0.000 1.181 77 A CA 1.377 53.408 52.037 -0.010 0.000 0.627 77 A CB -0.438 18.551 19.000 -0.019 0.000 0.818 77 A HN 0.376 nan 8.150 nan 0.000 0.445 78 I N 0.705 121.249 120.570 -0.044 0.000 2.163 78 I HA -0.284 3.887 4.170 0.000 0.000 0.243 78 I C 2.850 178.964 176.117 -0.004 0.000 1.085 78 I CA 1.780 63.067 61.300 -0.022 0.000 1.347 78 I CB -0.328 37.669 38.000 -0.006 0.000 1.044 78 I HN 0.489 nan 8.210 nan 0.000 0.408 79 S N 1.146 116.845 115.700 -0.001 0.000 2.423 79 S HA -0.043 4.427 4.470 0.000 0.000 0.231 79 S C 2.173 176.750 174.600 -0.038 0.000 1.014 79 S CA 0.692 58.896 58.200 0.006 0.000 0.965 79 S CB -0.520 62.693 63.200 0.023 0.000 0.785 79 S HN 0.418 nan 8.310 nan 0.000 0.495 80 A N 1.882 124.674 122.820 -0.047 0.000 2.019 80 A HA 0.129 4.449 4.320 0.000 0.000 0.219 80 A C 2.211 179.734 177.584 -0.101 0.000 1.164 80 A CA 1.329 53.312 52.037 -0.088 0.000 0.644 80 A CB -0.800 18.177 19.000 -0.038 0.000 0.805 80 A HN 0.549 nan 8.150 nan 0.000 0.449 81 M N -0.417 119.153 119.600 -0.050 0.000 2.358 81 M HA -0.142 4.338 4.480 0.000 0.000 0.264 81 M C 2.043 178.321 176.300 -0.037 0.000 1.064 81 M CA 1.078 56.352 55.300 -0.043 0.000 1.093 81 M CB -0.354 32.231 32.600 -0.025 0.000 1.401 81 M HN 0.505 nan 8.290 nan 0.000 0.440 82 N N 0.946 119.643 118.700 -0.006 0.000 2.084 82 N HA -0.109 4.631 4.740 0.000 0.000 0.190 82 N C 1.599 177.055 175.510 -0.089 0.000 1.030 82 N CA 1.919 55.043 53.050 0.123 0.000 0.849 82 N CB -0.067 38.513 38.487 0.155 0.000 1.012 82 N HN 0.339 nan 8.380 nan 0.000 0.423 83 A N 1.316 123.869 122.820 -0.445 0.000 1.930 83 A HA -0.030 4.290 4.320 0.000 0.000 0.217 83 A C 2.555 179.904 177.584 -0.393 0.000 1.175 83 A CA 0.716 52.309 52.037 -0.741 0.000 0.627 83 A CB -0.683 17.790 19.000 -0.878 0.000 0.815 83 A HN 0.348 nan 8.150 nan 0.000 0.443 84 L N -0.745 120.323 121.223 -0.259 0.000 2.012 84 L HA -0.181 4.159 4.340 0.000 0.000 0.210 84 L C 2.837 179.552 176.870 -0.260 0.000 1.073 84 L CA 1.413 56.150 54.840 -0.172 0.000 0.748 84 L CB -0.899 41.114 42.059 -0.076 0.000 0.891 84 L HN 0.518 nan 8.230 nan 0.000 0.431 85 G N -0.671 107.896 108.800 -0.388 0.000 2.440 85 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 85 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 85 G C 1.524 175.610 174.900 -1.357 0.000 1.154 85 G CA 0.773 45.448 45.100 -0.708 0.000 0.767 85 G HN 0.518 nan 8.290 nan 0.000 0.552 86 G N 1.184 109.006 108.800 -1.630 0.000 2.446 86 G HA2 -0.012 3.949 3.960 0.000 0.000 0.217 86 G HA3 -0.012 3.949 3.960 0.000 0.000 0.217 86 G C 2.073 176.692 174.900 -0.468 0.000 1.168 86 G CA 1.630 45.904 45.100 -1.377 0.000 0.771 86 G HN 0.672 nan 8.290 nan 0.000 0.551 87 A N -0.279 122.378 122.820 -0.272 0.000 1.902 87 A HA -0.048 4.272 4.320 0.000 0.000 0.217 87 A C 2.236 179.764 177.584 -0.093 0.000 1.181 87 A CA 1.741 53.715 52.037 -0.105 0.000 0.623 87 A CB -0.664 18.298 19.000 -0.063 0.000 0.818 87 A HN 0.439 nan 8.150 nan 0.000 0.443 88 Y N 0.441 120.603 120.300 -0.231 0.000 2.145 88 Y HA -0.106 4.444 4.550 0.000 0.000 0.286 88 Y C 2.747 178.568 175.900 -0.133 0.000 1.145 88 Y CA 1.216 59.217 58.100 -0.164 0.000 1.148 88 Y CB -0.534 37.824 38.460 -0.170 0.000 0.981 88 Y HN 0.314 nan 8.280 nan 0.000 0.507 89 A N -0.237 122.612 122.820 0.048 0.000 1.933 89 A HA -0.145 4.175 4.320 0.000 0.000 0.218 89 A C 1.738 179.342 177.584 0.033 0.000 1.175 89 A CA 1.894 53.984 52.037 0.089 0.000 0.628 89 A CB -0.377 18.716 19.000 0.156 0.000 0.814 89 A HN 0.475 nan 8.150 nan 0.000 0.444 90 E N 0.216 120.403 120.200 -0.022 0.000 2.465 90 E HA 0.055 4.405 4.350 0.000 0.000 0.195 90 E C -0.560 176.024 176.600 -0.027 0.000 1.028 90 E CA -0.271 56.118 56.400 -0.017 0.000 0.899 90 E CB -0.242 29.452 29.700 -0.011 0.000 1.032 90 E HN 0.580 nan 8.360 nan 0.000 0.468 91 N N 0.784 119.441 118.700 -0.071 0.000 2.725 91 N HA -0.208 4.532 4.740 0.000 0.000 0.251 91 N C -0.750 174.711 175.510 -0.081 0.000 1.031 91 N CA 0.657 53.642 53.050 -0.109 0.000 0.720 91 N CB -1.474 36.962 38.487 -0.085 0.000 0.930 91 N HN 0.225 nan 8.380 nan 0.000 0.543 92 L N 0.686 121.867 121.223 -0.070 0.000 2.356 92 L HA 0.421 4.762 4.340 0.000 0.000 0.277 92 L C -1.993 174.854 176.870 -0.038 0.000 0.996 92 L CA -1.690 53.133 54.840 -0.028 0.000 0.822 92 L CB 2.253 44.327 42.059 0.024 0.000 1.256 92 L HN -0.185 nan 8.230 nan 0.000 0.413 93 P HA 0.092 nan 4.420 nan 0.000 0.244 93 P C -0.397 176.911 177.300 0.014 0.000 1.769 93 P CA -0.082 63.004 63.100 -0.024 0.000 1.102 93 P CB 0.314 31.998 31.700 -0.027 0.000 1.937 94 V N 4.812 124.735 119.914 0.015 0.000 2.546 94 V HA 0.219 4.339 4.120 0.000 0.000 0.284 94 V C 0.915 177.025 176.094 0.026 0.000 1.050 94 V CA -0.382 61.938 62.300 0.034 0.000 0.981 94 V CB 1.130 32.967 31.823 0.023 0.000 0.990 94 V HN 0.271 nan 8.190 nan 0.000 0.474 95 I N 5.521 126.110 120.570 0.031 0.000 2.330 95 I HA 0.322 4.492 4.170 0.000 0.000 0.289 95 I C -0.429 175.699 176.117 0.018 0.000 1.001 95 I CA -0.370 60.942 61.300 0.020 0.000 1.193 95 I CB 1.471 39.475 38.000 0.007 0.000 1.345 95 I HN 0.428 nan 8.210 nan 0.000 0.461 96 L N 8.870 130.106 121.223 0.022 0.000 2.265 96 L HA 0.540 4.880 4.340 0.000 0.000 0.288 96 L C -0.747 176.075 176.870 -0.080 0.000 1.058 96 L CA 0.110 54.958 54.840 0.013 0.000 0.809 96 L CB 0.594 42.697 42.059 0.074 0.000 1.179 96 L HN 0.388 nan 8.230 nan 0.000 0.429 97 I N 4.361 124.887 120.570 -0.074 0.000 2.362 97 I HA 0.381 4.551 4.170 0.000 0.000 0.289 97 I C 0.152 176.214 176.117 -0.093 0.000 0.994 97 I CA 0.077 61.295 61.300 -0.137 0.000 1.158 97 I CB 1.686 39.636 38.000 -0.084 0.000 1.315 97 I HN 0.592 nan 8.210 nan 0.000 0.451 98 S N 3.991 119.595 115.700 -0.161 0.000 2.525 98 S HA 0.737 5.207 4.470 0.000 0.000 0.290 98 S C 0.264 174.879 174.600 0.025 0.000 1.152 98 S CA -0.650 57.541 58.200 -0.015 0.000 1.072 98 S CB 0.991 64.226 63.200 0.057 0.000 1.027 98 S HN 0.789 nan 8.310 nan 0.000 0.500 99 G N 2.076 110.937 108.800 0.101 0.000 2.544 99 G HA2 0.552 4.513 3.960 0.000 0.000 0.242 99 G HA3 0.552 4.513 3.960 0.000 0.000 0.242 99 G C -0.265 174.670 174.900 0.059 0.000 1.247 99 G CA 0.096 45.266 45.100 0.116 0.000 0.840 99 G HN 1.068 nan 8.290 nan 0.000 0.578 100 A N 2.703 125.450 122.820 -0.122 0.000 2.566 100 A HA 0.897 5.217 4.320 0.000 0.000 0.292 100 A C -2.826 174.356 177.584 -0.671 0.000 1.112 100 A CA -1.483 50.244 52.037 -0.517 0.000 0.707 100 A CB 1.522 20.357 19.000 -0.275 0.000 1.302 100 A HN 0.517 nan 8.150 nan 0.000 0.409 101 P HA -0.018 nan 4.420 nan 0.000 0.267 101 P C -0.298 176.882 177.300 -0.199 0.000 1.201 101 P CA -0.245 62.470 63.100 -0.642 0.000 0.775 101 P CB 0.352 31.461 31.700 -0.985 0.000 0.854 102 N N 1.274 119.962 118.700 -0.019 0.000 2.357 102 N HA -0.088 4.652 4.740 0.000 0.000 0.257 102 N C 1.194 176.720 175.510 0.026 0.000 1.250 102 N CA 0.682 53.747 53.050 0.025 0.000 0.862 102 N CB 0.514 39.037 38.487 0.060 0.000 1.066 102 N HN 0.359 nan 8.380 nan 0.000 0.468 103 S N 3.056 118.770 115.700 0.023 0.000 2.442 103 S HA -0.096 4.375 4.470 0.000 0.000 0.236 103 S C 1.137 175.759 174.600 0.038 0.000 1.007 103 S CA 0.660 58.878 58.200 0.029 0.000 0.965 103 S CB -0.051 63.158 63.200 0.015 0.000 0.773 103 S HN 0.632 nan 8.310 nan 0.000 0.504 104 N N 1.605 120.331 118.700 0.043 0.000 2.512 104 N HA -0.004 4.737 4.740 0.000 0.000 0.183 104 N C 0.497 176.043 175.510 0.059 0.000 1.073 104 N CA 0.859 53.935 53.050 0.043 0.000 0.911 104 N CB -0.201 38.315 38.487 0.048 0.000 0.964 104 N HN 0.497 nan 8.380 nan 0.000 0.447 105 D N 0.708 121.168 120.400 0.100 0.000 2.333 105 D HA -0.047 4.593 4.640 0.000 0.000 0.208 105 D C 0.668 177.033 176.300 0.108 0.000 0.984 105 D CA 0.344 54.434 54.000 0.151 0.000 0.873 105 D CB 0.167 41.096 40.800 0.215 0.000 0.935 105 D HN 0.245 nan 8.370 nan 0.000 0.521 106 Q N -0.126 119.727 119.800 0.089 0.000 2.274 106 Q HA 0.270 4.610 4.340 0.000 0.000 0.280 106 Q C 0.951 176.916 176.000 -0.058 0.000 1.047 106 Q CA 0.887 56.693 55.803 0.004 0.000 0.907 106 Q CB 0.378 29.110 28.738 -0.010 0.000 1.171 106 Q HN 0.302 nan 8.270 nan 0.000 0.381 107 G N 2.498 111.239 108.800 -0.099 0.000 2.168 107 G HA2 -0.325 3.635 3.960 0.000 0.000 0.257 107 G HA3 -0.325 3.635 3.960 0.000 0.000 0.257 107 G C 0.555 175.394 174.900 -0.103 0.000 0.997 107 G CA 0.819 45.863 45.100 -0.093 0.000 0.708 107 G HN 0.799 nan 8.290 nan 0.000 0.520 108 T N -3.503 110.963 114.554 -0.146 0.000 3.014 108 T HA 0.445 4.795 4.350 0.000 0.000 0.250 108 T C 2.333 176.900 174.700 -0.221 0.000 1.060 108 T CA 1.500 63.441 62.100 -0.266 0.000 1.040 108 T CB 0.495 69.008 68.868 -0.591 0.000 0.971 108 T HN 2.105 nan 8.240 nan 0.000 0.497 109 G N 1.235 109.977 108.800 -0.097 0.000 2.159 109 G HA2 -0.243 3.717 3.960 0.000 0.000 0.256 109 G HA3 -0.243 3.717 3.960 0.000 0.000 0.256 109 G C -0.097 174.872 174.900 0.114 0.000 0.977 109 G CA 0.086 45.190 45.100 0.005 0.000 0.652 109 G HN 0.794 nan 8.290 nan 0.000 0.531 110 H N -0.285 118.835 119.070 0.083 0.000 2.848 110 H HA 0.399 4.955 4.556 0.000 0.000 0.341 110 H C 0.852 176.256 175.328 0.126 0.000 1.060 110 H CA -0.244 55.859 56.048 0.093 0.000 1.444 110 H CB 0.750 30.566 29.762 0.090 0.000 1.446 110 H HN 0.260 nan 8.280 nan 0.000 0.583 111 I N 4.944 125.650 120.570 0.227 0.000 2.365 111 I HA 0.113 4.283 4.170 0.000 0.000 0.291 111 I C -0.231 175.972 176.117 0.144 0.000 1.004 111 I CA -0.066 61.342 61.300 0.180 0.000 1.311 111 I CB 0.726 38.806 38.000 0.134 0.000 1.401 111 I HN 0.276 nan 8.210 nan 0.000 0.491 112 L N 5.504 126.806 121.223 0.132 0.000 2.333 112 L HA 0.445 4.785 4.340 0.000 0.000 0.269 112 L C 0.230 177.149 176.870 0.083 0.000 1.010 112 L CA -1.077 53.802 54.840 0.066 0.000 0.818 112 L CB 1.387 43.394 42.059 -0.087 0.000 1.306 112 L HN 0.596 nan 8.230 nan 0.000 0.430 113 H N 0.742 119.839 119.070 0.046 0.000 2.771 113 H HA 0.044 4.600 4.556 0.000 0.000 0.364 113 H C -0.273 175.141 175.328 0.142 0.000 1.133 113 H CA -0.051 55.990 56.048 -0.011 0.000 1.423 113 H CB 0.419 30.037 29.762 -0.240 0.000 1.425 113 H HN 0.706 nan 8.280 nan 0.000 0.606 114 H N -1.152 118.079 119.070 0.267 0.000 2.958 114 H HA -0.181 4.375 4.556 0.000 0.000 0.274 114 H C 0.226 175.734 175.328 0.301 0.000 1.184 114 H CA 1.145 57.360 56.048 0.277 0.000 1.143 114 H CB -2.334 27.654 29.762 0.376 0.000 1.297 114 H HN 0.970 nan 8.280 nan 0.000 0.356 115 T N -2.688 112.088 114.554 0.370 0.000 2.926 115 T HA 0.610 4.960 4.350 0.000 0.000 0.289 115 T C 1.732 176.583 174.700 0.251 0.000 1.054 115 T CA -0.531 61.824 62.100 0.424 0.000 1.015 115 T CB 1.724 70.858 68.868 0.442 0.000 1.167 115 T HN 0.231 nan 8.240 nan 0.000 0.526 116 I N -1.512 119.142 120.570 0.139 0.000 3.334 116 I HA 0.427 4.597 4.170 0.000 0.000 0.282 116 I C 1.500 177.646 176.117 0.047 0.000 1.313 116 I CA 0.398 61.688 61.300 -0.016 0.000 1.396 116 I CB -0.904 36.942 38.000 -0.257 0.000 1.054 116 I HN 1.049 nan 8.210 nan 0.000 0.495 117 G N 1.131 110.004 108.800 0.122 0.000 2.179 117 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 117 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 117 G C 0.179 175.148 174.900 0.114 0.000 0.990 117 G CA -0.144 45.024 45.100 0.113 0.000 0.646 117 G HN 0.477 nan 8.290 nan 0.000 0.517 118 K N -0.068 120.412 120.400 0.133 0.000 2.109 118 K HA 0.549 4.869 4.320 0.000 0.000 0.243 118 K C 2.033 178.734 176.600 0.168 0.000 1.006 118 K CA 0.116 56.478 56.287 0.125 0.000 0.917 118 K CB 0.640 33.204 32.500 0.106 0.000 1.081 118 K HN 0.188 nan 8.250 nan 0.000 0.468 119 T N -2.516 112.113 114.554 0.124 0.000 2.995 119 T HA -0.108 4.242 4.350 0.000 0.000 0.269 119 T C 0.535 175.298 174.700 0.103 0.000 1.091 119 T CA 0.758 62.930 62.100 0.120 0.000 1.128 119 T CB -0.179 68.728 68.868 0.065 0.000 0.891 119 T HN 0.669 nan 8.240 nan 0.000 0.492 120 D N 0.414 120.859 120.400 0.074 0.000 2.392 120 D HA 0.227 4.867 4.640 0.000 0.000 0.246 120 D C -0.664 175.693 176.300 0.096 0.000 1.013 120 D CA -1.253 52.694 54.000 -0.088 0.000 0.993 120 D CB 1.412 42.147 40.800 -0.108 0.000 1.219 120 D HN 0.522 nan 8.370 nan 0.000 0.538 121 Y N -1.621 118.759 120.300 0.133 0.000 2.909 121 Y HA 0.283 4.833 4.550 0.000 0.000 0.239 121 Y C 0.621 176.507 175.900 -0.022 0.000 1.023 121 Y CA -0.476 57.720 58.100 0.160 0.000 1.124 121 Y CB -0.308 38.245 38.460 0.155 0.000 1.226 121 Y HN 0.216 nan 8.280 nan 0.000 0.652 122 S N -1.127 114.568 115.700 -0.009 0.000 2.603 122 S HA -0.115 4.355 4.470 0.000 0.000 0.220 122 S C 1.368 175.968 174.600 -0.001 0.000 0.967 122 S CA 0.541 58.734 58.200 -0.011 0.000 0.920 122 S CB -1.105 62.074 63.200 -0.035 0.000 0.773 122 S HN 0.717 nan 8.310 nan 0.000 0.529 123 Y N 1.176 121.536 120.300 0.101 0.000 2.293 123 Y HA -0.026 4.524 4.550 0.000 0.000 0.291 123 Y C 2.411 178.302 175.900 -0.015 0.000 1.137 123 Y CA 1.062 59.184 58.100 0.037 0.000 1.202 123 Y CB -0.778 37.706 38.460 0.040 0.000 0.990 123 Y HN 0.346 nan 8.280 nan 0.000 0.537 124 Q N 0.643 120.139 119.800 -0.506 0.000 2.050 124 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 124 Q C 2.230 178.056 176.000 -0.290 0.000 0.980 124 Q CA 1.851 57.428 55.803 -0.378 0.000 0.840 124 Q CB -0.245 28.119 28.738 -0.624 0.000 0.898 124 Q HN 0.579 nan 8.270 nan 0.000 0.424 125 L N 1.160 122.262 121.223 -0.202 0.000 2.083 125 L HA -0.165 4.175 4.340 0.000 0.000 0.209 125 L C 2.004 178.747 176.870 -0.211 0.000 1.083 125 L CA 1.851 56.540 54.840 -0.251 0.000 0.752 125 L CB -0.449 41.599 42.059 -0.019 0.000 0.899 125 L HN 0.204 nan 8.230 nan 0.000 0.433 126 E N -0.565 119.573 120.200 -0.103 0.000 2.110 126 E HA -0.212 4.138 4.350 0.000 0.000 0.193 126 E C 2.182 178.734 176.600 -0.080 0.000 0.988 126 E CA 1.676 58.039 56.400 -0.061 0.000 0.804 126 E CB -0.284 29.414 29.700 -0.003 0.000 0.745 126 E HN 0.596 nan 8.360 nan 0.000 0.458 127 M N -0.026 119.519 119.600 -0.091 0.000 2.132 127 M HA -0.077 4.403 4.480 0.000 0.000 0.263 127 M C 2.359 178.565 176.300 -0.156 0.000 1.065 127 M CA 1.420 56.667 55.300 -0.088 0.000 1.122 127 M CB -0.218 32.353 32.600 -0.049 0.000 1.365 127 M HN 0.032 nan 8.290 nan 0.000 0.411 128 A N 0.469 123.110 122.820 -0.298 0.000 1.933 128 A HA -0.143 4.177 4.320 0.000 0.000 0.218 128 A C 2.141 179.592 177.584 -0.221 0.000 1.175 128 A CA 1.418 53.226 52.037 -0.381 0.000 0.628 128 A CB -0.603 17.800 19.000 -0.995 0.000 0.814 128 A HN 0.418 nan 8.150 nan 0.000 0.444 129 R N -1.142 119.251 120.500 -0.178 0.000 2.105 129 R HA -0.170 4.170 4.340 0.000 0.000 0.239 129 R C 2.265 178.520 176.300 -0.075 0.000 1.135 129 R CA 1.509 57.559 56.100 -0.083 0.000 0.967 129 R CB -0.268 29.999 30.300 -0.056 0.000 0.861 129 R HN 0.451 nan 8.270 nan 0.000 0.442 130 Q N 0.012 119.757 119.800 -0.091 0.000 2.181 130 Q HA -0.109 4.231 4.340 0.000 0.000 0.205 130 Q C 1.578 177.479 176.000 -0.164 0.000 0.980 130 Q CA 1.385 57.127 55.803 -0.101 0.000 0.862 130 Q CB 0.170 28.864 28.738 -0.074 0.000 0.905 130 Q HN 0.393 nan 8.270 nan 0.000 0.429 131 V N -3.312 116.512 119.914 -0.151 0.000 3.070 131 V HA 0.451 4.571 4.120 0.000 0.000 0.345 131 V C -0.007 176.056 176.094 -0.052 0.000 1.403 131 V CA 0.151 62.329 62.300 -0.203 0.000 1.155 131 V CB 0.022 31.762 31.823 -0.138 0.000 1.140 131 V HN 0.140 nan 8.190 nan 0.000 0.505 132 T N -2.974 111.597 114.554 0.030 0.000 2.883 132 T HA 0.386 4.736 4.350 0.000 0.000 0.296 132 T C 0.766 175.622 174.700 0.260 0.000 1.117 132 T CA 0.110 62.328 62.100 0.197 0.000 1.006 132 T CB 1.355 70.293 68.868 0.116 0.000 1.191 132 T HN 0.525 nan 8.240 nan 0.000 0.508 133 C N -0.138 119.294 119.300 0.220 0.000 2.673 133 C HA 0.769 5.229 4.460 0.000 0.000 0.264 133 C C 0.943 175.984 174.990 0.086 0.000 1.304 133 C CA 0.080 59.187 59.018 0.147 0.000 1.727 133 C CB -1.621 26.142 27.740 0.037 0.000 1.932 133 C HN 1.185 nan 8.230 nan 0.000 0.563 134 A N 0.075 122.945 122.820 0.083 0.000 2.566 134 A HA 0.828 5.148 4.320 0.000 0.000 0.297 134 A C -0.986 176.686 177.584 0.147 0.000 1.059 134 A CA 0.448 52.542 52.037 0.095 0.000 0.691 134 A CB 0.678 19.643 19.000 -0.057 0.000 1.282 134 A HN 1.666 nan 8.150 nan 0.000 0.401 135 A N 1.954 124.891 122.820 0.195 0.000 2.466 135 A HA 0.745 5.065 4.320 0.000 0.000 0.284 135 A C -1.200 176.540 177.584 0.260 0.000 1.049 135 A CA -0.379 51.820 52.037 0.270 0.000 0.760 135 A CB 1.155 20.253 19.000 0.163 0.000 1.274 135 A HN 0.642 nan 8.150 nan 0.000 0.412 136 E N 0.557 120.922 120.200 0.276 0.000 2.343 136 E HA 0.584 4.934 4.350 0.000 0.000 0.270 136 E C -1.130 175.564 176.600 0.157 0.000 0.895 136 E CA -0.563 55.944 56.400 0.179 0.000 0.767 136 E CB 2.259 32.040 29.700 0.134 0.000 1.248 136 E HN 0.434 nan 8.360 nan 0.000 0.440 137 S N 1.970 117.741 115.700 0.119 0.000 2.530 137 S HA 0.513 4.983 4.470 0.000 0.000 0.322 137 S C -0.400 174.224 174.600 0.040 0.000 1.085 137 S CA -0.585 57.672 58.200 0.095 0.000 1.096 137 S CB 0.060 63.332 63.200 0.119 0.000 0.988 137 S HN 0.347 nan 8.310 nan 0.000 0.466 138 I N 4.216 124.793 120.570 0.011 0.000 2.325 138 I HA 0.268 4.438 4.170 0.000 0.000 0.291 138 I C 1.067 177.182 176.117 -0.003 0.000 1.019 138 I CA -0.075 61.222 61.300 -0.005 0.000 1.302 138 I CB 1.594 39.580 38.000 -0.024 0.000 1.401 138 I HN 0.593 nan 8.210 nan 0.000 0.485 139 T N 3.756 118.311 114.554 0.001 0.000 3.087 139 T HA 0.097 4.447 4.350 0.000 0.000 0.283 139 T C -0.458 174.244 174.700 0.004 0.000 0.956 139 T CA -0.194 61.907 62.100 0.003 0.000 0.894 139 T CB -0.104 68.768 68.868 0.007 0.000 1.160 139 T HN 0.835 nan 8.240 nan 0.000 0.532 140 D N -0.666 119.737 120.400 0.005 0.000 2.655 140 D HA 0.418 5.059 4.640 0.000 0.000 0.229 140 D C 0.735 177.041 176.300 0.010 0.000 1.229 140 D CA -0.459 53.549 54.000 0.013 0.000 0.807 140 D CB 1.482 42.297 40.800 0.025 0.000 1.514 140 D HN -0.045 nan 8.370 nan 0.000 0.444 141 A N 0.717 123.547 122.820 0.017 0.000 1.968 141 A HA -0.204 4.116 4.320 0.000 0.000 0.217 141 A C 1.956 179.536 177.584 -0.007 0.000 1.169 141 A CA 1.341 53.377 52.037 -0.003 0.000 0.638 141 A CB -1.022 17.983 19.000 0.009 0.000 0.812 141 A HN 0.794 nan 8.150 nan 0.000 0.446 142 H N 0.942 119.983 119.070 -0.049 0.000 2.326 142 H HA -0.106 4.450 4.556 0.000 0.000 0.301 142 H C 2.141 177.430 175.328 -0.065 0.000 1.081 142 H CA 2.043 58.061 56.048 -0.050 0.000 1.334 142 H CB 0.052 29.794 29.762 -0.032 0.000 1.385 142 H HN 0.569 nan 8.280 nan 0.000 0.504 143 S N -0.068 115.639 115.700 0.012 0.000 2.593 143 S HA 0.211 4.681 4.470 0.000 0.000 0.217 143 S C 2.179 176.719 174.600 -0.101 0.000 0.966 143 S CA 0.337 58.511 58.200 -0.044 0.000 0.914 143 S CB 0.067 63.286 63.200 0.032 0.000 0.776 143 S HN 0.510 nan 8.310 nan 0.000 0.523 144 A N 3.328 126.068 122.820 -0.132 0.000 1.858 144 A HA 0.095 4.415 4.320 0.000 0.000 0.216 144 A C 0.073 177.501 177.584 -0.260 0.000 1.190 144 A CA 1.428 53.367 52.037 -0.163 0.000 0.617 144 A CB -1.841 17.059 19.000 -0.167 0.000 0.827 144 A HN 0.519 nan 8.150 nan 0.000 0.443 145 P HA -0.178 nan 4.420 nan 0.000 0.215 145 P C 1.782 178.999 177.300 -0.139 0.000 1.157 145 P CA 2.165 64.926 63.100 -0.564 0.000 0.874 145 P CB -0.171 31.204 31.700 -0.542 0.000 0.790 146 A N -0.192 122.565 122.820 -0.105 0.000 1.908 146 A HA -0.239 4.081 4.320 0.000 0.000 0.218 146 A C 2.121 179.729 177.584 0.039 0.000 1.181 146 A CA 1.842 53.868 52.037 -0.018 0.000 0.627 146 A CB -1.061 17.914 19.000 -0.043 0.000 0.818 146 A HN 0.145 nan 8.150 nan 0.000 0.445 147 K N -0.592 119.817 120.400 0.014 0.000 2.025 147 K HA -0.030 4.290 4.320 0.000 0.000 0.207 147 K C 1.880 178.542 176.600 0.103 0.000 1.049 147 K CA 1.449 57.776 56.287 0.066 0.000 0.933 147 K CB -0.378 32.139 32.500 0.028 0.000 0.714 147 K HN 0.521 nan 8.250 nan 0.000 0.438 148 I N 1.684 122.295 120.570 0.068 0.000 2.163 148 I HA -0.302 3.868 4.170 0.000 0.000 0.243 148 I C 1.686 177.881 176.117 0.131 0.000 1.085 148 I CA 1.377 62.741 61.300 0.107 0.000 1.347 148 I CB -0.307 37.798 38.000 0.176 0.000 1.044 148 I HN 0.125 nan 8.210 nan 0.000 0.408 149 D N -0.555 119.943 120.400 0.164 0.000 2.144 149 D HA -0.232 4.409 4.640 0.000 0.000 0.199 149 D C 1.980 178.346 176.300 0.109 0.000 0.984 149 D CA 1.352 55.435 54.000 0.138 0.000 0.834 149 D CB -0.411 40.479 40.800 0.151 0.000 0.955 149 D HN 0.424 nan 8.370 nan 0.000 0.465 150 H N 0.582 119.677 119.070 0.042 0.000 2.319 150 H HA -0.112 4.444 4.556 0.000 0.000 0.299 150 H C 2.012 177.360 175.328 0.033 0.000 1.092 150 H CA 2.509 58.576 56.048 0.032 0.000 1.302 150 H CB -0.291 29.487 29.762 0.027 0.000 1.373 150 H HN 0.064 nan 8.280 nan 0.000 0.497 151 V N -0.828 119.039 119.914 -0.078 0.000 2.307 151 V HA -0.155 3.965 4.120 0.000 0.000 0.245 151 V C 2.409 178.440 176.094 -0.105 0.000 1.045 151 V CA 1.980 64.203 62.300 -0.128 0.000 1.024 151 V CB -0.859 30.965 31.823 0.002 0.000 0.651 151 V HN 0.466 nan 8.190 nan 0.000 0.449 152 I N -0.025 120.519 120.570 -0.043 0.000 2.179 152 I HA -0.178 3.992 4.170 0.000 0.000 0.242 152 I C 3.146 179.234 176.117 -0.048 0.000 1.088 152 I CA 2.036 63.318 61.300 -0.030 0.000 1.357 152 I CB -0.442 37.557 38.000 -0.002 0.000 1.051 152 I HN 0.212 nan 8.210 nan 0.000 0.409 153 R N 0.006 120.474 120.500 -0.052 0.000 2.096 153 R HA -0.115 4.225 4.340 0.000 0.000 0.235 153 R C 2.317 178.569 176.300 -0.080 0.000 1.127 153 R CA 1.886 57.958 56.100 -0.047 0.000 0.968 153 R CB -0.510 29.780 30.300 -0.016 0.000 0.861 153 R HN 0.384 nan 8.270 nan 0.000 0.440 154 T N 0.874 115.335 114.554 -0.154 0.000 2.737 154 T HA -0.094 4.256 4.350 0.000 0.000 0.265 154 T C 1.960 176.593 174.700 -0.111 0.000 1.038 154 T CA 1.287 63.289 62.100 -0.163 0.000 1.144 154 T CB -0.234 68.452 68.868 -0.303 0.000 0.866 154 T HN 0.340 nan 8.240 nan 0.000 0.434 155 A N 1.542 124.301 122.820 -0.102 0.000 1.873 155 A HA -0.058 4.262 4.320 0.000 0.000 0.218 155 A C 2.328 179.871 177.584 -0.068 0.000 1.193 155 A CA 1.429 53.420 52.037 -0.075 0.000 0.629 155 A CB -0.976 17.994 19.000 -0.051 0.000 0.826 155 A HN 0.473 nan 8.150 nan 0.000 0.447 156 L N -1.344 119.847 121.223 -0.053 0.000 2.056 156 L HA -0.150 4.190 4.340 0.000 0.000 0.207 156 L C 2.818 179.660 176.870 -0.047 0.000 1.078 156 L CA 1.713 56.528 54.840 -0.042 0.000 0.749 156 L CB -0.490 41.552 42.059 -0.028 0.000 0.901 156 L HN 0.505 nan 8.230 nan 0.000 0.433 157 R N 0.556 121.027 120.500 -0.049 0.000 2.075 157 R HA -0.157 4.183 4.340 0.000 0.000 0.232 157 R C 1.892 178.158 176.300 -0.057 0.000 1.126 157 R CA 1.515 57.589 56.100 -0.045 0.000 0.963 157 R CB 0.001 30.279 30.300 -0.037 0.000 0.858 157 R HN 0.370 nan 8.270 nan 0.000 0.435 158 E N -0.101 120.054 120.200 -0.075 0.000 2.442 158 E HA 0.006 4.356 4.350 0.000 0.000 0.195 158 E C -0.385 176.139 176.600 -0.127 0.000 1.030 158 E CA -0.122 56.220 56.400 -0.097 0.000 0.869 158 E CB 0.461 30.098 29.700 -0.106 0.000 0.857 158 E HN 0.135 nan 8.360 nan 0.000 0.505 159 R N 1.252 121.685 120.500 -0.111 0.000 3.264 159 R HA -0.143 4.197 4.340 0.000 0.000 0.251 159 R C -0.932 175.256 176.300 -0.186 0.000 0.971 159 R CA 0.682 56.711 56.100 -0.119 0.000 0.658 159 R CB -1.297 28.941 30.300 -0.102 0.000 1.095 159 R HN -0.036 nan 8.270 nan 0.000 0.443 160 K N -0.408 119.871 120.400 -0.202 0.000 2.482 160 K HA 0.540 4.860 4.320 0.000 0.000 0.257 160 K C -2.613 173.901 176.600 -0.143 0.000 0.969 160 K CA -2.195 53.912 56.287 -0.300 0.000 0.842 160 K CB 2.118 34.335 32.500 -0.471 0.000 1.359 160 K HN -0.147 nan 8.250 nan 0.000 0.441 161 P HA 0.333 nan 4.420 nan 0.000 0.276 161 P C -1.143 176.180 177.300 0.038 0.000 1.252 161 P CA -0.370 62.727 63.100 -0.004 0.000 0.802 161 P CB 1.043 32.754 31.700 0.018 0.000 1.035 162 A N 1.141 123.989 122.820 0.048 0.000 2.532 162 A HA 0.680 5.000 4.320 0.000 0.000 0.290 162 A C -1.929 175.736 177.584 0.136 0.000 1.143 162 A CA -0.622 51.464 52.037 0.081 0.000 0.728 162 A CB 1.329 20.345 19.000 0.027 0.000 1.317 162 A HN 0.592 nan 8.150 nan 0.000 0.414 163 Y N 0.157 120.466 120.300 0.016 0.000 2.462 163 Y HA 0.766 5.316 4.550 0.000 0.000 0.346 163 Y C -1.543 174.375 175.900 0.029 0.000 0.976 163 Y CA -0.951 57.160 58.100 0.018 0.000 1.044 163 Y CB 1.553 40.021 38.460 0.014 0.000 1.230 163 Y HN 0.675 nan 8.280 nan 0.000 0.455 164 L N 5.469 126.286 121.223 -0.677 0.000 2.410 164 L HA 0.386 4.726 4.340 0.000 0.000 0.270 164 L C -1.503 174.923 176.870 -0.740 0.000 0.983 164 L CA -0.856 53.662 54.840 -0.536 0.000 0.822 164 L CB 2.010 43.934 42.059 -0.225 0.000 1.285 164 L HN 0.715 nan 8.230 nan 0.000 0.409 165 D N 3.964 124.117 120.400 -0.413 0.000 2.168 165 D HA 0.563 5.203 4.640 0.000 0.000 0.246 165 D C -0.588 175.658 176.300 -0.090 0.000 1.050 165 D CA 0.049 53.945 54.000 -0.174 0.000 0.857 165 D CB 2.262 43.079 40.800 0.029 0.000 1.169 165 D HN 0.232 nan 8.370 nan 0.000 0.453 166 I N 1.705 122.237 120.570 -0.063 0.000 2.439 166 I HA 0.347 4.517 4.170 0.000 0.000 0.285 166 I C 0.257 176.355 176.117 -0.032 0.000 1.021 166 I CA -1.048 60.229 61.300 -0.039 0.000 1.091 166 I CB 1.881 39.861 38.000 -0.034 0.000 1.242 166 I HN 0.290 nan 8.210 nan 0.000 0.439 167 A N 4.502 127.302 122.820 -0.033 0.000 2.546 167 A HA 0.028 4.348 4.320 0.000 0.000 0.243 167 A C 1.511 179.093 177.584 -0.004 0.000 1.063 167 A CA 0.030 52.043 52.037 -0.040 0.000 0.757 167 A CB 0.006 18.991 19.000 -0.024 0.000 0.991 167 A HN 1.141 nan 8.150 nan 0.000 0.503 168 C N 2.395 121.709 119.300 0.024 0.000 2.413 168 C HA -0.153 4.307 4.460 0.000 0.000 0.277 168 C C 2.090 177.105 174.990 0.041 0.000 1.265 168 C CA 1.117 60.175 59.018 0.067 0.000 1.752 168 C CB -1.391 26.436 27.740 0.146 0.000 1.998 168 C HN 0.916 nan 8.230 nan 0.000 0.489 169 N N 1.669 120.388 118.700 0.033 0.000 2.512 169 N HA -0.023 4.717 4.740 0.000 0.000 0.183 169 N C 1.319 176.837 175.510 0.013 0.000 1.073 169 N CA 1.054 54.118 53.050 0.023 0.000 0.911 169 N CB -0.565 37.936 38.487 0.024 0.000 0.964 169 N HN 0.620 nan 8.380 nan 0.000 0.447 170 I N 0.381 120.955 120.570 0.008 0.000 3.645 170 I HA 0.133 4.303 4.170 0.000 0.000 0.300 170 I C 2.290 178.402 176.117 -0.008 0.000 1.260 170 I CA 0.134 61.433 61.300 -0.000 0.000 1.365 170 I CB 0.075 38.072 38.000 -0.004 0.000 1.077 170 I HN 0.080 nan 8.210 nan 0.000 0.439 171 A N -0.135 122.682 122.820 -0.005 0.000 1.986 171 A HA -0.211 4.109 4.320 0.000 0.000 0.220 171 A C 2.372 179.943 177.584 -0.021 0.000 1.171 171 A CA 2.223 54.252 52.037 -0.013 0.000 0.640 171 A CB -0.592 18.406 19.000 -0.003 0.000 0.811 171 A HN 0.364 nan 8.150 nan 0.000 0.451 172 S N -0.256 115.437 115.700 -0.012 0.000 2.527 172 S HA 0.033 4.503 4.470 0.000 0.000 0.222 172 S C 0.590 175.185 174.600 -0.009 0.000 0.985 172 S CA -0.038 58.155 58.200 -0.013 0.000 0.921 172 S CB -0.088 63.111 63.200 -0.002 0.000 0.772 172 S HN 0.541 nan 8.310 nan 0.000 0.529 173 E N 2.318 122.515 120.200 -0.005 0.000 2.383 173 E HA 0.184 4.534 4.350 0.000 0.000 0.264 173 E C -2.546 174.062 176.600 0.012 0.000 1.050 173 E CA -2.291 54.112 56.400 0.005 0.000 0.896 173 E CB 0.066 29.769 29.700 0.006 0.000 0.982 173 E HN 0.097 nan 8.360 nan 0.000 0.424 174 P HA -0.027 nan 4.420 nan 0.000 0.267 174 P C -0.433 176.906 177.300 0.065 0.000 1.200 174 P CA 0.033 63.167 63.100 0.057 0.000 0.772 174 P CB 0.548 32.282 31.700 0.055 0.000 0.855 175 C N 3.016 122.390 119.300 0.123 0.000 3.082 175 C HA 0.502 4.962 4.460 0.000 0.000 0.324 175 C C -0.086 175.026 174.990 0.203 0.000 1.210 175 C CA -0.591 58.499 59.018 0.119 0.000 1.366 175 C CB 0.900 28.701 27.740 0.102 0.000 1.756 175 C HN 0.608 nan 8.230 nan 0.000 0.485 176 V N 3.535 123.511 119.914 0.104 0.000 3.237 176 V HA 0.484 4.605 4.120 0.000 0.000 0.305 176 V C 0.243 176.460 176.094 0.206 0.000 1.096 176 V CA -0.074 62.283 62.300 0.095 0.000 1.130 176 V CB 0.143 31.987 31.823 0.034 0.000 1.048 176 V HN 0.949 nan 8.190 nan 0.000 0.484 177 R N 2.590 123.074 120.500 -0.026 0.000 2.457 177 R HA 0.516 4.856 4.340 0.000 0.000 0.284 177 R C -2.380 173.922 176.300 0.003 0.000 1.024 177 R CA -1.641 54.325 56.100 -0.222 0.000 1.025 177 R CB 0.848 30.803 30.300 -0.575 0.000 1.063 177 R HN 0.703 nan 8.270 nan 0.000 0.493 178 P HA 0.109 nan 4.420 nan 0.000 0.279 178 P C -0.295 176.931 177.300 -0.123 0.000 1.239 178 P CA -0.348 62.633 63.100 -0.198 0.000 0.789 178 P CB 1.087 32.450 31.700 -0.560 0.000 0.933 179 G N 3.242 112.004 108.800 -0.064 0.000 2.599 179 G HA2 0.426 4.386 3.960 0.000 0.000 0.264 179 G HA3 0.426 4.386 3.960 0.000 0.000 0.264 179 G C -2.291 172.575 174.900 -0.058 0.000 1.200 179 G CA -1.119 43.950 45.100 -0.052 0.000 0.896 179 G HN 0.417 nan 8.290 nan 0.000 0.536 180 P HA 0.295 nan 4.420 nan 0.000 0.271 180 P C -0.288 176.994 177.300 -0.031 0.000 1.218 180 P CA -0.088 62.988 63.100 -0.040 0.000 0.780 180 P CB 1.345 33.026 31.700 -0.032 0.000 0.901 181 V N -1.746 118.150 119.914 -0.030 0.000 2.962 181 V HA 0.428 4.548 4.120 0.000 0.000 0.313 181 V C 1.235 177.319 176.094 -0.017 0.000 1.099 181 V CA -0.547 61.740 62.300 -0.021 0.000 0.971 181 V CB 1.238 33.048 31.823 -0.023 0.000 1.028 181 V HN 0.489 nan 8.190 nan 0.000 0.430 182 S N 1.223 116.917 115.700 -0.011 0.000 2.345 182 S HA 0.067 4.537 4.470 0.000 0.000 0.220 182 S C 0.922 175.516 174.600 -0.010 0.000 1.031 182 S CA 1.655 59.849 58.200 -0.009 0.000 0.996 182 S CB -0.132 63.065 63.200 -0.005 0.000 0.882 182 S HN 1.523 nan 8.310 nan 0.000 0.445 183 S N -1.204 114.490 115.700 -0.009 0.000 2.552 183 S HA 0.432 4.902 4.470 0.000 0.000 0.272 183 S C -0.604 173.990 174.600 -0.009 0.000 1.150 183 S CA -0.686 57.508 58.200 -0.010 0.000 0.849 183 S CB 0.731 63.927 63.200 -0.008 0.000 1.113 183 S HN 0.066 nan 8.310 nan 0.000 0.458 184 L N 2.331 123.547 121.223 -0.011 0.000 2.554 184 L HA 0.467 4.807 4.340 0.000 0.000 0.226 184 L C 0.327 177.192 176.870 -0.009 0.000 1.137 184 L CA 0.722 55.556 54.840 -0.010 0.000 0.863 184 L CB -0.579 41.472 42.059 -0.013 0.000 0.985 184 L HN 0.689 nan 8.230 nan 0.000 0.451 185 L N 0.449 121.666 121.223 -0.010 0.000 2.264 185 L HA 0.462 4.802 4.340 0.000 0.000 0.289 185 L C -0.017 176.849 176.870 -0.006 0.000 1.044 185 L CA -0.010 54.823 54.840 -0.011 0.000 0.807 185 L CB 0.971 43.022 42.059 -0.013 0.000 1.192 185 L HN 0.180 nan 8.230 nan 0.000 0.425 186 S N 3.749 119.446 115.700 -0.005 0.000 2.775 186 S HA 0.549 5.019 4.470 0.000 0.000 0.277 186 S C -0.695 173.904 174.600 -0.000 0.000 1.156 186 S CA -0.949 57.252 58.200 0.001 0.000 1.081 186 S CB 0.844 64.047 63.200 0.006 0.000 1.054 186 S HN 0.678 nan 8.310 nan 0.000 0.482 187 E N 3.194 123.395 120.200 0.001 0.000 2.371 187 E HA 0.345 4.695 4.350 0.000 0.000 0.257 187 E C -2.200 174.405 176.600 0.007 0.000 1.134 187 E CA -1.779 54.622 56.400 0.001 0.000 0.919 187 E CB -0.192 29.511 29.700 0.004 0.000 1.025 187 E HN 0.493 nan 8.360 nan 0.000 0.438 188 P HA -0.006 nan 4.420 nan 0.000 0.271 188 P C -0.418 176.893 177.300 0.019 0.000 1.218 188 P CA -0.082 63.024 63.100 0.011 0.000 0.780 188 P CB 0.380 32.082 31.700 0.004 0.000 0.901 189 E N 2.736 122.951 120.200 0.026 0.000 2.452 189 E HA 0.054 4.404 4.350 0.000 0.000 0.261 189 E C 0.187 176.803 176.600 0.027 0.000 0.987 189 E CA -0.619 55.802 56.400 0.035 0.000 0.926 189 E CB 0.412 30.141 29.700 0.049 0.000 0.934 189 E HN 0.337 nan 8.360 nan 0.000 0.452 190 I N 2.756 123.328 120.570 0.003 0.000 2.529 190 I HA 0.009 4.179 4.170 0.000 0.000 0.284 190 I C -0.280 175.772 176.117 -0.108 0.000 1.082 190 I CA 0.032 61.298 61.300 -0.058 0.000 1.406 190 I CB 0.919 38.842 38.000 -0.127 0.000 1.405 190 I HN 0.730 nan 8.210 nan 0.000 0.548 191 D N 6.698 127.092 120.400 -0.010 0.000 2.365 191 D HA 0.066 4.706 4.640 0.000 0.000 0.237 191 D C 0.771 177.077 176.300 0.010 0.000 1.190 191 D CA -0.000 54.027 54.000 0.046 0.000 0.867 191 D CB 0.401 41.268 40.800 0.112 0.000 1.050 191 D HN 0.581 nan 8.370 nan 0.000 0.491 192 H N 1.318 120.438 119.070 0.084 0.000 2.462 192 H HA -0.038 4.518 4.556 0.000 0.000 0.292 192 H C 1.752 177.107 175.328 0.046 0.000 1.049 192 H CA 1.384 57.460 56.048 0.048 0.000 1.334 192 H CB 0.551 30.329 29.762 0.027 0.000 1.404 192 H HN 0.341 nan 8.280 nan 0.000 0.544 193 T N -0.987 113.666 114.554 0.166 0.000 2.708 193 T HA -0.207 4.143 4.350 0.000 0.000 0.266 193 T C 2.264 177.048 174.700 0.140 0.000 1.037 193 T CA 1.546 63.723 62.100 0.129 0.000 1.146 193 T CB -0.343 68.593 68.868 0.114 0.000 0.865 193 T HN 0.274 nan 8.240 nan 0.000 0.435 194 S N 0.489 116.299 115.700 0.184 0.000 2.368 194 S HA 0.065 4.535 4.470 0.000 0.000 0.224 194 S C 1.975 176.698 174.600 0.205 0.000 1.029 194 S CA 0.527 58.903 58.200 0.293 0.000 0.988 194 S CB -0.506 62.922 63.200 0.380 0.000 0.838 194 S HN 0.379 nan 8.310 nan 0.000 0.462 195 L N 1.362 122.586 121.223 0.002 0.000 2.012 195 L HA -0.153 4.187 4.340 0.000 0.000 0.210 195 L C 2.651 179.376 176.870 -0.242 0.000 1.073 195 L CA 1.949 56.520 54.840 -0.448 0.000 0.748 195 L CB -0.555 41.264 42.059 -0.401 0.000 0.891 195 L HN 0.383 nan 8.230 nan 0.000 0.431 196 K N -0.339 120.010 120.400 -0.084 0.000 2.063 196 K HA -0.212 4.108 4.320 0.000 0.000 0.208 196 K C 1.935 178.492 176.600 -0.073 0.000 1.048 196 K CA 1.502 57.756 56.287 -0.055 0.000 0.928 196 K CB -0.071 32.433 32.500 0.006 0.000 0.713 196 K HN 0.414 nan 8.250 nan 0.000 0.442 197 A N 0.886 123.682 122.820 -0.041 0.000 1.930 197 A HA -0.053 4.268 4.320 0.000 0.000 0.217 197 A C 2.278 179.622 177.584 -0.400 0.000 1.175 197 A CA 1.708 53.711 52.037 -0.058 0.000 0.627 197 A CB -0.601 18.504 19.000 0.174 0.000 0.815 197 A HN 0.472 nan 8.150 nan 0.000 0.443 198 A N -0.527 121.938 122.820 -0.593 0.000 1.898 198 A HA 0.026 4.346 4.320 0.000 0.000 0.216 198 A C 2.225 179.695 177.584 -0.189 0.000 1.181 198 A CA 1.753 53.323 52.037 -0.779 0.000 0.620 198 A CB -0.869 17.926 19.000 -0.342 0.000 0.819 198 A HN 0.359 nan 8.150 nan 0.000 0.442 199 V N 0.608 120.464 119.914 -0.096 0.000 2.307 199 V HA -0.228 3.892 4.120 0.000 0.000 0.245 199 V C 2.194 178.229 176.094 -0.099 0.000 1.045 199 V CA 2.269 64.509 62.300 -0.100 0.000 1.024 199 V CB -0.879 30.826 31.823 -0.196 0.000 0.651 199 V HN 0.474 nan 8.190 nan 0.000 0.449 200 D N 0.602 120.942 120.400 -0.101 0.000 2.123 200 D HA -0.158 4.482 4.640 0.000 0.000 0.196 200 D C 2.196 178.469 176.300 -0.046 0.000 0.992 200 D CA 1.778 55.740 54.000 -0.063 0.000 0.833 200 D CB -0.383 40.392 40.800 -0.042 0.000 0.954 200 D HN 0.442 nan 8.370 nan 0.000 0.455 201 A N 0.053 122.829 122.820 -0.073 0.000 1.930 201 A HA -0.133 4.187 4.320 0.000 0.000 0.217 201 A C 2.342 179.933 177.584 0.012 0.000 1.175 201 A CA 1.984 54.010 52.037 -0.018 0.000 0.627 201 A CB -0.768 18.224 19.000 -0.014 0.000 0.815 201 A HN 0.232 nan 8.150 nan 0.000 0.443 202 T N -0.467 114.095 114.554 0.013 0.000 2.777 202 T HA -0.084 4.266 4.350 0.000 0.000 0.266 202 T C 1.868 176.579 174.700 0.018 0.000 1.040 202 T CA 1.421 63.558 62.100 0.061 0.000 1.141 202 T CB -0.373 68.588 68.868 0.156 0.000 0.868 202 T HN 0.133 nan 8.240 nan 0.000 0.444 203 V N 1.790 121.694 119.914 -0.017 0.000 2.343 203 V HA -0.177 3.943 4.120 0.000 0.000 0.247 203 V C 2.914 179.003 176.094 -0.009 0.000 1.051 203 V CA 1.709 63.993 62.300 -0.027 0.000 1.036 203 V CB -1.221 30.574 31.823 -0.047 0.000 0.654 203 V HN 0.532 nan 8.190 nan 0.000 0.451 204 A N -0.176 122.643 122.820 -0.002 0.000 1.883 204 A HA -0.237 4.083 4.320 0.000 0.000 0.217 204 A C 2.178 179.770 177.584 0.013 0.000 1.186 204 A CA 2.298 54.339 52.037 0.007 0.000 0.624 204 A CB -0.647 18.361 19.000 0.014 0.000 0.822 204 A HN 0.459 nan 8.150 nan 0.000 0.444 205 L N -0.364 120.873 121.223 0.022 0.000 2.046 205 L HA -0.085 4.255 4.340 0.000 0.000 0.208 205 L C 2.300 179.181 176.870 0.018 0.000 1.077 205 L CA 1.663 56.519 54.840 0.026 0.000 0.747 205 L CB -0.495 41.588 42.059 0.040 0.000 0.896 205 L HN 0.404 nan 8.230 nan 0.000 0.432 206 L N -0.766 120.466 121.223 0.015 0.000 2.046 206 L HA -0.216 4.124 4.340 0.000 0.000 0.208 206 L C 2.526 179.398 176.870 0.003 0.000 1.077 206 L CA 1.440 56.285 54.840 0.008 0.000 0.747 206 L CB -0.519 41.541 42.059 0.002 0.000 0.896 206 L HN 0.345 nan 8.230 nan 0.000 0.432 207 E N 0.456 120.656 120.200 0.001 0.000 2.118 207 E HA -0.260 4.090 4.350 0.000 0.000 0.195 207 E C 1.788 178.389 176.600 0.002 0.000 0.992 207 E CA 1.562 57.962 56.400 -0.000 0.000 0.804 207 E CB 0.085 29.784 29.700 -0.002 0.000 0.741 207 E HN 0.442 nan 8.360 nan 0.000 0.458 208 K N -0.109 120.294 120.400 0.005 0.000 2.444 208 K HA 0.165 4.485 4.320 0.000 0.000 0.193 208 K C 0.067 176.670 176.600 0.005 0.000 1.024 208 K CA 0.004 56.294 56.287 0.006 0.000 1.077 208 K CB 0.753 33.258 32.500 0.007 0.000 0.833 208 K HN -0.208 nan 8.250 nan 0.000 0.517 209 S N 0.348 116.051 115.700 0.005 0.000 2.584 209 S HA 0.459 4.929 4.470 0.000 0.000 0.273 209 S C 0.862 175.464 174.600 0.002 0.000 1.311 209 S CA -0.395 57.807 58.200 0.004 0.000 1.034 209 S CB 1.608 64.811 63.200 0.005 0.000 0.939 209 S HN 0.408 nan 8.310 nan 0.000 0.513 210 A N 1.939 124.760 122.820 0.001 0.000 1.887 210 A HA 0.242 4.562 4.320 0.000 0.000 0.212 210 A C 1.009 178.593 177.584 0.000 0.000 1.198 210 A CA 0.682 52.720 52.037 0.001 0.000 0.628 210 A CB -0.159 18.841 19.000 0.001 0.000 0.847 210 A HN 0.985 nan 8.150 nan 0.000 0.449 211 S N -0.196 115.503 115.700 -0.002 0.000 2.383 211 S HA 0.562 5.032 4.470 0.000 0.000 0.196 211 S C -3.368 171.226 174.600 -0.009 0.000 1.364 211 S CA -1.394 56.803 58.200 -0.005 0.000 1.212 211 S CB 1.267 64.463 63.200 -0.006 0.000 1.171 211 S HN 0.042 nan 8.310 nan 0.000 0.456 212 P HA 0.458 nan 4.420 nan 0.000 0.275 212 P C -0.712 176.576 177.300 -0.020 0.000 1.227 212 P CA -0.459 62.635 63.100 -0.009 0.000 0.781 212 P CB 1.120 32.819 31.700 -0.002 0.000 0.906 213 V N 3.513 123.408 119.914 -0.030 0.000 2.769 213 V HA 0.452 4.572 4.120 0.000 0.000 0.312 213 V C 0.125 176.188 176.094 -0.051 0.000 1.061 213 V CA -0.700 61.569 62.300 -0.051 0.000 0.931 213 V CB 1.954 33.733 31.823 -0.073 0.000 1.010 213 V HN 0.481 nan 8.190 nan 0.000 0.433 214 M N 4.112 123.667 119.600 -0.075 0.000 2.238 214 M HA 0.553 5.033 4.480 0.000 0.000 0.350 214 M C -1.237 175.007 176.300 -0.094 0.000 1.138 214 M CA -0.564 54.689 55.300 -0.079 0.000 1.040 214 M CB 1.610 34.139 32.600 -0.117 0.000 1.639 214 M HN 0.486 nan 8.290 nan 0.000 0.451 215 L N 5.577 126.772 121.223 -0.046 0.000 2.349 215 L HA 0.611 4.951 4.340 0.000 0.000 0.278 215 L C -1.636 175.236 176.870 0.002 0.000 0.996 215 L CA -0.229 54.597 54.840 -0.022 0.000 0.825 215 L CB 1.141 43.206 42.059 0.010 0.000 1.243 215 L HN 0.625 nan 8.230 nan 0.000 0.412 216 L N 5.037 126.256 121.223 -0.007 0.000 2.309 216 L HA 0.794 5.134 4.340 0.000 0.000 0.282 216 L C 0.676 177.554 176.870 0.014 0.000 1.036 216 L CA -0.532 54.319 54.840 0.018 0.000 0.806 216 L CB 1.456 43.538 42.059 0.039 0.000 1.220 216 L HN 0.766 nan 8.230 nan 0.000 0.429 217 G N -0.053 108.755 108.800 0.013 0.000 2.667 217 G HA2 0.358 4.318 3.960 0.000 0.000 0.310 217 G HA3 0.358 4.318 3.960 0.000 0.000 0.310 217 G C 0.571 175.510 174.900 0.064 0.000 1.259 217 G CA -0.117 44.955 45.100 -0.048 0.000 1.019 217 G HN 0.634 nan 8.290 nan 0.000 0.496 218 S N -1.300 114.395 115.700 -0.009 0.000 2.607 218 S HA 0.048 4.518 4.470 0.000 0.000 0.224 218 S C 1.309 176.031 174.600 0.203 0.000 0.969 218 S CA 0.422 58.697 58.200 0.126 0.000 0.927 218 S CB 0.016 63.168 63.200 -0.080 0.000 0.772 218 S HN 0.501 nan 8.310 nan 0.000 0.533 219 K N 0.145 120.588 120.400 0.072 0.000 2.374 219 K HA 0.297 4.617 4.320 0.000 0.000 0.196 219 K C 1.228 177.806 176.600 -0.037 0.000 1.023 219 K CA -0.157 56.135 56.287 0.009 0.000 1.103 219 K CB -0.060 32.423 32.500 -0.029 0.000 0.848 219 K HN 0.217 nan 8.250 nan 0.000 0.528 220 L N 1.530 122.739 121.223 -0.024 0.000 2.083 220 L HA -0.151 4.190 4.340 0.000 0.000 0.209 220 L C 2.333 179.018 176.870 -0.308 0.000 1.083 220 L CA 1.739 56.505 54.840 -0.123 0.000 0.752 220 L CB -0.247 41.792 42.059 -0.032 0.000 0.899 220 L HN 0.079 nan 8.230 nan 0.000 0.433 221 R N -1.052 119.088 120.500 -0.601 0.000 2.073 221 R HA -0.073 4.267 4.340 0.000 0.000 0.229 221 R C 2.208 178.351 176.300 -0.261 0.000 1.120 221 R CA 1.161 56.926 56.100 -0.558 0.000 0.967 221 R CB -0.335 29.476 30.300 -0.815 0.000 0.862 221 R HN 0.412 nan 8.270 nan 0.000 0.436 222 A N 0.759 123.469 122.820 -0.182 0.000 1.940 222 A HA -0.096 4.224 4.320 0.000 0.000 0.219 222 A C 2.195 179.723 177.584 -0.093 0.000 1.176 222 A CA 1.675 53.647 52.037 -0.108 0.000 0.631 222 A CB -0.684 18.267 19.000 -0.081 0.000 0.814 222 A HN 0.512 nan 8.150 nan 0.000 0.446 223 A N -0.970 121.796 122.820 -0.091 0.000 2.235 223 A HA 0.152 4.472 4.320 0.000 0.000 0.208 223 A C 0.979 178.530 177.584 -0.055 0.000 1.172 223 A CA 0.902 52.904 52.037 -0.058 0.000 0.786 223 A CB -0.700 18.279 19.000 -0.036 0.000 0.804 223 A HN 0.820 nan 8.150 nan 0.000 0.479 224 N N -2.289 116.358 118.700 -0.088 0.000 2.714 224 N HA -0.217 4.523 4.740 0.000 0.000 0.253 224 N C 0.216 175.689 175.510 -0.060 0.000 1.024 224 N CA 1.037 54.038 53.050 -0.081 0.000 0.726 224 N CB -1.321 37.134 38.487 -0.055 0.000 0.908 224 N HN 0.633 nan 8.380 nan 0.000 0.542 225 A N -0.296 122.479 122.820 -0.075 0.000 2.589 225 A HA 0.377 4.697 4.320 0.000 0.000 0.283 225 A C 1.675 179.243 177.584 -0.027 0.000 1.187 225 A CA -0.304 51.715 52.037 -0.030 0.000 0.957 225 A CB 0.167 19.167 19.000 0.000 0.000 1.175 225 A HN 0.299 nan 8.150 nan 0.000 0.532 226 L N -0.641 120.542 121.223 -0.066 0.000 1.988 226 L HA -0.162 4.179 4.340 0.000 0.000 0.207 226 L C 3.036 179.902 176.870 -0.006 0.000 1.071 226 L CA 1.629 56.443 54.840 -0.043 0.000 0.744 226 L CB -0.685 41.317 42.059 -0.094 0.000 0.893 226 L HN 0.441 nan 8.230 nan 0.000 0.433 227 A N 0.126 122.931 122.820 -0.024 0.000 1.902 227 A HA -0.157 4.163 4.320 0.000 0.000 0.217 227 A C 2.520 180.108 177.584 0.007 0.000 1.181 227 A CA 1.761 53.789 52.037 -0.016 0.000 0.623 227 A CB -0.732 18.254 19.000 -0.023 0.000 0.818 227 A HN 0.419 nan 8.150 nan 0.000 0.443 228 A N -1.179 121.646 122.820 0.009 0.000 1.933 228 A HA -0.088 4.232 4.320 0.000 0.000 0.218 228 A C 2.288 179.894 177.584 0.038 0.000 1.175 228 A CA 2.286 54.332 52.037 0.015 0.000 0.628 228 A CB -1.192 17.816 19.000 0.014 0.000 0.814 228 A HN 0.426 nan 8.150 nan 0.000 0.444 229 T N 0.126 114.719 114.554 0.064 0.000 2.746 229 T HA -0.144 4.206 4.350 0.000 0.000 0.267 229 T C 1.841 176.644 174.700 0.172 0.000 1.039 229 T CA 1.703 63.869 62.100 0.110 0.000 1.142 229 T CB -0.252 68.702 68.868 0.144 0.000 0.866 229 T HN 0.906 nan 8.240 nan 0.000 0.444 230 E N 0.402 120.704 120.200 0.171 0.000 2.358 230 E HA -0.058 4.292 4.350 0.000 0.000 0.195 230 E C 1.796 178.475 176.600 0.132 0.000 1.010 230 E CA 1.024 57.529 56.400 0.175 0.000 0.856 230 E CB -0.315 29.344 29.700 -0.070 0.000 0.795 230 E HN 0.271 nan 8.360 nan 0.000 0.504 231 T N 1.370 115.972 114.554 0.080 0.000 2.777 231 T HA -0.108 4.242 4.350 0.000 0.000 0.266 231 T C 1.670 176.405 174.700 0.058 0.000 1.040 231 T CA 1.114 63.249 62.100 0.058 0.000 1.141 231 T CB -0.231 68.651 68.868 0.023 0.000 0.868 231 T HN 0.133 nan 8.240 nan 0.000 0.444 232 L N 1.530 122.781 121.223 0.046 0.000 2.046 232 L HA 0.095 4.435 4.340 0.000 0.000 0.208 232 L C 2.563 179.465 176.870 0.053 0.000 1.077 232 L CA 1.779 56.633 54.840 0.023 0.000 0.747 232 L CB -0.933 41.126 42.059 -0.001 0.000 0.896 232 L HN 0.218 nan 8.230 nan 0.000 0.432 233 A N -0.950 121.927 122.820 0.096 0.000 1.972 233 A HA -0.197 4.124 4.320 0.000 0.000 0.219 233 A C 1.962 179.667 177.584 0.201 0.000 1.169 233 A CA 1.773 53.882 52.037 0.120 0.000 0.635 233 A CB -0.722 18.353 19.000 0.126 0.000 0.810 233 A HN 0.533 nan 8.150 nan 0.000 0.446 234 D N -0.518 120.010 120.400 0.214 0.000 2.144 234 D HA -0.110 4.530 4.640 0.000 0.000 0.200 234 D C 1.927 178.288 176.300 0.102 0.000 0.978 234 D CA 1.550 55.663 54.000 0.188 0.000 0.833 234 D CB -0.097 40.789 40.800 0.144 0.000 0.961 234 D HN 0.440 nan 8.370 nan 0.000 0.470 235 K N 0.593 121.035 120.400 0.069 0.000 2.031 235 K HA 0.052 4.372 4.320 0.000 0.000 0.205 235 K C 2.117 178.736 176.600 0.031 0.000 1.049 235 K CA 0.580 56.887 56.287 0.034 0.000 0.939 235 K CB -0.342 32.163 32.500 0.008 0.000 0.717 235 K HN 0.051 nan 8.250 nan 0.000 0.438 236 L N 0.355 121.600 121.223 0.036 0.000 2.217 236 L HA -0.099 4.241 4.340 0.000 0.000 0.211 236 L C 0.701 177.596 176.870 0.041 0.000 1.107 236 L CA 0.897 55.754 54.840 0.027 0.000 0.783 236 L CB -0.111 41.958 42.059 0.018 0.000 0.919 236 L HN 0.381 nan 8.230 nan 0.000 0.442 237 Q N -1.639 118.204 119.800 0.072 0.000 2.305 237 Q HA -0.253 4.088 4.340 0.000 0.000 0.203 237 Q C 0.628 176.673 176.000 0.076 0.000 0.663 237 Q CA 1.265 57.117 55.803 0.082 0.000 1.389 237 Q CB -2.711 26.058 28.738 0.052 0.000 1.566 237 Q HN 0.715 nan 8.270 nan 0.000 0.755 238 C N -1.039 118.294 119.300 0.055 0.000 2.470 238 C HA 0.831 5.292 4.460 0.000 0.000 0.350 238 C C 1.265 176.267 174.990 0.021 0.000 1.341 238 C CA -0.280 58.754 59.018 0.027 0.000 2.440 238 C CB 0.479 28.221 27.740 0.003 0.000 2.295 238 C HN 0.503 nan 8.230 nan 0.000 0.645 239 A N 0.846 123.661 122.820 -0.009 0.000 2.477 239 A HA 0.530 4.850 4.320 0.000 0.000 0.246 239 A C -0.146 177.378 177.584 -0.100 0.000 1.078 239 A CA -0.135 51.879 52.037 -0.039 0.000 0.770 239 A CB -0.278 18.691 19.000 -0.052 0.000 1.011 239 A HN 1.184 nan 8.150 nan 0.000 0.494 240 V N 3.315 123.137 119.914 -0.154 0.000 2.409 240 V HA 0.606 4.726 4.120 0.000 0.000 0.291 240 V C 0.428 176.350 176.094 -0.286 0.000 1.020 240 V CA 0.010 62.126 62.300 -0.307 0.000 0.848 240 V CB 1.427 32.838 31.823 -0.686 0.000 0.990 240 V HN 1.125 nan 8.190 nan 0.000 0.430 241 T N 2.647 117.066 114.554 -0.226 0.000 2.924 241 T HA 0.868 5.218 4.350 0.000 0.000 0.291 241 T C -0.591 174.076 174.700 -0.055 0.000 1.045 241 T CA -0.744 61.256 62.100 -0.167 0.000 1.015 241 T CB 2.092 70.899 68.868 -0.102 0.000 1.103 241 T HN 0.609 nan 8.240 nan 0.000 0.496 242 I N -0.856 119.729 120.570 0.025 0.000 2.603 242 I HA 0.601 4.771 4.170 0.000 0.000 0.300 242 I C -0.056 176.070 176.117 0.015 0.000 1.017 242 I CA -1.519 59.808 61.300 0.046 0.000 1.098 242 I CB 1.778 39.840 38.000 0.104 0.000 1.279 242 I HN 0.535 nan 8.210 nan 0.000 0.437 243 M N 3.131 122.701 119.600 -0.050 0.000 2.228 243 M HA 0.333 4.813 4.480 0.000 0.000 0.326 243 M C 1.509 177.578 176.300 -0.385 0.000 1.122 243 M CA -0.197 55.001 55.300 -0.171 0.000 1.161 243 M CB 1.372 33.866 32.600 -0.178 0.000 1.437 243 M HN 0.963 nan 8.290 nan 0.000 0.465 244 A N 1.850 124.244 122.820 -0.711 0.000 1.896 244 A HA -0.201 4.119 4.320 0.000 0.000 0.220 244 A C 2.027 179.158 177.584 -0.755 0.000 1.206 244 A CA 2.607 54.073 52.037 -0.951 0.000 0.647 244 A CB -1.108 16.695 19.000 -1.996 0.000 0.828 244 A HN 0.958 nan 8.150 nan 0.000 0.455 245 A N -1.365 121.026 122.820 -0.715 0.000 2.235 245 A HA 0.460 4.780 4.320 0.000 0.000 0.208 245 A C 1.763 178.975 177.584 -0.620 0.000 1.172 245 A CA 1.250 52.917 52.037 -0.617 0.000 0.786 245 A CB -0.550 18.144 19.000 -0.511 0.000 0.804 245 A HN 1.169 nan 8.150 nan 0.000 0.479 246 A N -0.544 121.927 122.820 -0.581 0.000 2.500 246 A HA 0.333 4.653 4.320 0.000 0.000 0.267 246 A C 0.769 177.942 177.584 -0.685 0.000 1.290 246 A CA -0.228 51.371 52.037 -0.730 0.000 0.928 246 A CB -0.347 18.520 19.000 -0.221 0.000 1.066 246 A HN 0.352 nan 8.150 nan 0.000 0.516 247 K N 0.363 120.432 120.400 -0.551 0.000 2.447 247 K HA 0.318 4.638 4.320 0.000 0.000 0.281 247 K C 1.196 177.601 176.600 -0.325 0.000 1.031 247 K CA 1.243 57.335 56.287 -0.325 0.000 1.019 247 K CB -0.171 32.179 32.500 -0.250 0.000 0.918 247 K HN 0.773 nan 8.250 nan 0.000 0.476 248 G N 3.920 112.641 108.800 -0.132 0.000 2.176 248 G HA2 -0.216 3.744 3.960 0.000 0.000 0.232 248 G HA3 -0.216 3.744 3.960 0.000 0.000 0.232 248 G C 0.276 175.300 174.900 0.207 0.000 0.986 248 G CA 0.001 45.092 45.100 -0.015 0.000 0.643 248 G HN 0.570 nan 8.290 nan 0.000 0.522 249 F N -0.248 119.705 119.950 0.004 0.000 2.811 249 F HA 0.575 5.102 4.527 0.000 0.000 0.301 249 F C 0.741 176.612 175.800 0.119 0.000 1.151 249 F CA -0.795 57.225 58.000 0.034 0.000 1.412 249 F CB -0.298 38.719 39.000 0.028 0.000 1.113 249 F HN 0.166 nan 8.300 nan 0.000 0.579 250 F N 1.546 121.543 119.950 0.078 0.000 2.596 250 F HA 0.480 5.007 4.527 0.000 0.000 0.311 250 F C -2.617 173.090 175.800 -0.155 0.000 1.116 250 F CA -2.813 55.173 58.000 -0.023 0.000 0.957 250 F CB 1.661 40.672 39.000 0.019 0.000 1.250 250 F HN -0.321 nan 8.300 nan 0.000 0.444 251 P HA 0.117 nan 4.420 nan 0.000 0.271 251 P C -0.319 176.743 177.300 -0.395 0.000 1.233 251 P CA 0.245 63.088 63.100 -0.428 0.000 0.764 251 P CB 0.781 32.246 31.700 -0.392 0.000 0.825 252 E N 1.550 121.473 120.200 -0.462 0.000 2.478 252 E HA -0.144 4.207 4.350 0.000 0.000 0.198 252 E C 0.727 177.251 176.600 -0.126 0.000 1.046 252 E CA 0.584 56.595 56.400 -0.647 0.000 0.870 252 E CB -0.099 29.226 29.700 -0.625 0.000 0.818 252 E HN 0.525 nan 8.360 nan 0.000 0.527 253 D N 0.245 120.595 120.400 -0.084 0.000 2.218 253 D HA -0.104 4.536 4.640 0.000 0.000 0.204 253 D C 0.595 176.934 176.300 0.065 0.000 0.976 253 D CA 0.720 54.715 54.000 -0.009 0.000 0.853 253 D CB 0.003 40.772 40.800 -0.052 0.000 0.939 253 D HN 0.159 nan 8.370 nan 0.000 0.481 254 H N -1.077 117.996 119.070 0.005 0.000 2.897 254 H HA 0.213 4.769 4.556 0.000 0.000 0.347 254 H C 1.202 176.642 175.328 0.185 0.000 1.068 254 H CA 0.208 56.306 56.048 0.083 0.000 1.426 254 H CB 1.172 31.006 29.762 0.120 0.000 1.410 254 H HN 0.019 nan 8.280 nan 0.000 0.597 255 A N 3.370 126.169 122.820 -0.035 0.000 2.024 255 A HA -0.117 4.203 4.320 0.000 0.000 0.220 255 A C 2.261 180.006 177.584 0.268 0.000 1.164 255 A CA 1.571 53.657 52.037 0.082 0.000 0.643 255 A CB -0.747 18.228 19.000 -0.042 0.000 0.806 255 A HN 0.850 nan 8.150 nan 0.000 0.451 256 G N -2.220 106.930 108.800 0.583 0.000 2.939 256 G HA2 0.255 4.216 3.960 0.000 0.000 0.210 256 G HA3 0.255 4.216 3.960 0.000 0.000 0.210 256 G C 0.307 175.405 174.900 0.328 0.000 1.160 256 G CA -0.325 45.028 45.100 0.421 0.000 0.770 256 G HN 0.401 nan 8.290 nan 0.000 0.543 257 F N 1.634 121.772 119.950 0.312 0.000 2.543 257 F HA 0.369 4.896 4.527 0.000 0.000 0.375 257 F C 1.205 177.073 175.800 0.113 0.000 1.075 257 F CA -0.402 57.721 58.000 0.206 0.000 1.225 257 F CB 0.893 40.082 39.000 0.316 0.000 1.099 257 F HN -0.146 nan 8.300 nan 0.000 0.561 258 R N 4.022 124.128 120.500 -0.658 0.000 2.509 258 R HA 0.348 4.688 4.340 0.000 0.000 0.297 258 R C 0.611 176.544 176.300 -0.612 0.000 0.951 258 R CA 0.359 56.179 56.100 -0.467 0.000 1.103 258 R CB 0.279 30.446 30.300 -0.221 0.000 1.283 258 R HN 1.002 nan 8.270 nan 0.000 0.534 259 G N 1.144 109.212 108.800 -1.220 0.000 2.428 259 G HA2 -0.214 3.747 3.960 0.000 0.000 0.202 259 G HA3 -0.214 3.747 3.960 0.000 0.000 0.202 259 G C -1.503 173.244 174.900 -0.254 0.000 1.247 259 G CA -0.468 44.225 45.100 -0.679 0.000 1.020 259 G HN 0.120 nan 8.290 nan 0.000 0.529 260 L N 0.610 121.815 121.223 -0.031 0.000 2.275 260 L HA 0.778 5.119 4.340 0.000 0.000 0.288 260 L C -0.300 176.659 176.870 0.148 0.000 1.046 260 L CA -1.025 53.856 54.840 0.069 0.000 0.805 260 L CB 0.938 43.060 42.059 0.104 0.000 1.193 260 L HN 0.821 nan 8.230 nan 0.000 0.426 261 Y N 5.912 126.237 120.300 0.041 0.000 2.353 261 Y HA 0.442 4.992 4.550 0.000 0.000 0.340 261 Y C -1.151 174.878 175.900 0.215 0.000 0.972 261 Y CA -0.269 57.895 58.100 0.107 0.000 1.157 261 Y CB 0.835 39.341 38.460 0.077 0.000 1.157 261 Y HN 0.780 nan 8.280 nan 0.000 0.495 262 W N 7.886 128.890 121.300 -0.494 0.000 1.169 262 W HA 0.399 5.059 4.660 0.000 0.000 0.318 262 W C 0.227 176.551 176.519 -0.324 0.000 0.906 262 W CA -0.574 56.533 57.345 -0.397 0.000 1.379 262 W CB 0.508 29.870 29.460 -0.163 0.000 1.491 262 W HN 0.978 nan 8.180 nan 0.000 0.459 263 G N 2.608 111.197 108.800 -0.351 0.000 2.651 263 G HA2 -0.439 3.521 3.960 0.000 0.000 0.315 263 G HA3 -0.439 3.521 3.960 0.000 0.000 0.315 263 G C 1.109 175.983 174.900 -0.043 0.000 1.258 263 G CA 1.368 46.386 45.100 -0.136 0.000 1.002 263 G HN 0.594 nan 8.290 nan 0.000 0.551 264 E N 0.463 120.639 120.200 -0.039 0.000 2.482 264 E HA 0.154 4.504 4.350 0.000 0.000 0.196 264 E C 1.994 178.575 176.600 -0.030 0.000 1.047 264 E CA 1.372 57.759 56.400 -0.021 0.000 0.869 264 E CB -0.063 29.620 29.700 -0.029 0.000 0.836 264 E HN 1.194 nan 8.360 nan 0.000 0.520 265 V N -1.492 118.385 119.914 -0.062 0.000 3.342 265 V HA 0.235 4.355 4.120 0.000 0.000 0.322 265 V C 0.404 176.533 176.094 0.059 0.000 1.370 265 V CA -0.726 61.550 62.300 -0.040 0.000 1.170 265 V CB -0.021 31.718 31.823 -0.141 0.000 1.101 265 V HN 0.006 nan 8.190 nan 0.000 0.442 266 S N 2.386 118.130 115.700 0.074 0.000 2.580 266 S HA 0.198 4.668 4.470 0.000 0.000 0.266 266 S C 0.378 175.036 174.600 0.095 0.000 1.354 266 S CA -0.167 58.104 58.200 0.118 0.000 1.008 266 S CB 0.028 63.313 63.200 0.142 0.000 0.898 266 S HN 0.694 nan 8.310 nan 0.000 0.555 267 N N 2.727 121.482 118.700 0.091 0.000 2.441 267 N HA 0.160 4.900 4.740 0.000 0.000 0.251 267 N C -2.532 173.010 175.510 0.053 0.000 1.242 267 N CA -1.211 51.876 53.050 0.061 0.000 0.898 267 N CB -0.372 38.136 38.487 0.036 0.000 1.100 267 N HN 0.316 nan 8.380 nan 0.000 0.443 268 P HA -0.031 nan 4.420 nan 0.000 0.261 268 P C 0.945 178.265 177.300 0.033 0.000 1.173 268 P CA 0.692 63.813 63.100 0.036 0.000 0.760 268 P CB 0.242 31.959 31.700 0.028 0.000 0.783 269 G N 1.773 110.596 108.800 0.038 0.000 2.347 269 G HA2 -0.348 3.612 3.960 0.000 0.000 0.247 269 G HA3 -0.348 3.612 3.960 0.000 0.000 0.247 269 G C 1.003 175.928 174.900 0.042 0.000 1.037 269 G CA 0.274 45.393 45.100 0.033 0.000 0.622 269 G HN 0.399 nan 8.290 nan 0.000 0.521 270 V N 1.151 121.098 119.914 0.056 0.000 2.358 270 V HA -0.205 3.915 4.120 0.000 0.000 0.246 270 V C 2.672 178.852 176.094 0.142 0.000 1.047 270 V CA 3.000 65.344 62.300 0.074 0.000 1.035 270 V CB -0.488 31.386 31.823 0.085 0.000 0.658 270 V HN 0.643 nan 8.190 nan 0.000 0.452 271 Q N 0.017 119.941 119.800 0.206 0.000 2.045 271 Q HA -0.285 4.055 4.340 0.000 0.000 0.206 271 Q C 2.420 178.508 176.000 0.148 0.000 0.991 271 Q CA 2.294 58.268 55.803 0.285 0.000 0.851 271 Q CB -0.233 28.641 28.738 0.227 0.000 0.911 271 Q HN 0.661 nan 8.270 nan 0.000 0.418 272 E N 0.129 120.382 120.200 0.089 0.000 2.085 272 E HA -0.212 4.138 4.350 0.000 0.000 0.194 272 E C 2.144 178.752 176.600 0.014 0.000 0.994 272 E CA 1.045 57.473 56.400 0.047 0.000 0.801 272 E CB -0.188 29.533 29.700 0.036 0.000 0.743 272 E HN 0.456 nan 8.360 nan 0.000 0.453 273 L N 0.426 121.652 121.223 0.005 0.000 1.990 273 L HA -0.233 4.107 4.340 0.000 0.000 0.213 273 L C 2.768 179.597 176.870 -0.067 0.000 1.072 273 L CA 2.018 56.841 54.840 -0.028 0.000 0.755 273 L CB -0.489 41.550 42.059 -0.033 0.000 0.889 273 L HN 0.202 nan 8.230 nan 0.000 0.432 274 V N -2.887 116.951 119.914 -0.126 0.000 2.500 274 V HA -0.141 3.979 4.120 0.000 0.000 0.243 274 V C 2.090 178.078 176.094 -0.176 0.000 1.039 274 V CA 1.393 63.555 62.300 -0.229 0.000 1.053 274 V CB -0.202 31.310 31.823 -0.518 0.000 0.695 274 V HN 0.368 nan 8.190 nan 0.000 0.463 275 E N 0.210 120.339 120.200 -0.118 0.000 2.209 275 E HA -0.163 4.187 4.350 0.000 0.000 0.196 275 E C 1.964 178.551 176.600 -0.021 0.000 0.993 275 E CA 1.766 58.148 56.400 -0.030 0.000 0.819 275 E CB -0.133 29.602 29.700 0.058 0.000 0.745 275 E HN 0.671 nan 8.360 nan 0.000 0.477 276 T N -1.124 113.416 114.554 -0.025 0.000 3.054 276 T HA 0.134 4.484 4.350 0.000 0.000 0.255 276 T C 0.247 174.934 174.700 -0.021 0.000 1.035 276 T CA -0.010 62.082 62.100 -0.014 0.000 0.941 276 T CB 0.154 69.019 68.868 -0.004 0.000 1.026 276 T HN 0.020 nan 8.240 nan 0.000 0.533 277 S N 1.392 117.071 115.700 -0.035 0.000 2.552 277 S HA -0.017 4.454 4.470 0.000 0.000 0.289 277 S C 1.264 175.852 174.600 -0.020 0.000 1.304 277 S CA -0.285 57.896 58.200 -0.031 0.000 1.063 277 S CB 0.484 63.657 63.200 -0.044 0.000 0.848 277 S HN 0.321 nan 8.310 nan 0.000 0.499 278 D N 3.088 123.480 120.400 -0.013 0.000 2.149 278 D HA -0.006 4.634 4.640 0.000 0.000 0.198 278 D C 0.342 176.641 176.300 -0.002 0.000 0.990 278 D CA 1.513 55.510 54.000 -0.006 0.000 0.839 278 D CB 0.014 40.812 40.800 -0.003 0.000 0.948 278 D HN 0.675 nan 8.370 nan 0.000 0.460 279 A N 0.155 122.974 122.820 -0.002 0.000 2.684 279 A HA 0.388 4.709 4.320 0.000 0.000 0.289 279 A C -1.303 176.285 177.584 0.006 0.000 1.139 279 A CA -0.620 51.422 52.037 0.007 0.000 0.793 279 A CB 0.363 19.372 19.000 0.014 0.000 1.334 279 A HN 0.095 nan 8.150 nan 0.000 0.408 280 L N 2.998 124.224 121.223 0.005 0.000 2.342 280 L HA 0.401 4.741 4.340 0.000 0.000 0.285 280 L C -0.243 176.647 176.870 0.035 0.000 1.095 280 L CA -0.148 54.693 54.840 0.002 0.000 0.843 280 L CB 0.530 42.582 42.059 -0.012 0.000 1.201 280 L HN 0.650 nan 8.230 nan 0.000 0.445 281 L N 6.123 127.365 121.223 0.033 0.000 2.385 281 L HA 0.173 4.513 4.340 0.000 0.000 0.285 281 L C -0.441 176.468 176.870 0.065 0.000 1.125 281 L CA -0.187 54.690 54.840 0.062 0.000 0.890 281 L CB 0.257 42.349 42.059 0.054 0.000 1.251 281 L HN 0.750 nan 8.230 nan 0.000 0.445 282 C N 6.804 126.163 119.300 0.098 0.000 2.223 282 C HA 0.489 4.949 4.460 0.000 0.000 0.324 282 C C 0.182 175.232 174.990 0.101 0.000 1.196 282 C CA -0.756 58.333 59.018 0.119 0.000 1.628 282 C CB -0.875 26.989 27.740 0.208 0.000 2.229 282 C HN 0.627 nan 8.230 nan 0.000 0.486 283 I N 6.306 126.916 120.570 0.066 0.000 2.355 283 I HA 0.441 4.611 4.170 0.000 0.000 0.288 283 I C 0.999 177.130 176.117 0.024 0.000 0.999 283 I CA -0.055 61.282 61.300 0.062 0.000 1.163 283 I CB 1.330 39.374 38.000 0.075 0.000 1.316 283 I HN 0.861 nan 8.210 nan 0.000 0.454 284 A N 5.747 128.574 122.820 0.010 0.000 2.791 284 A HA -0.118 4.203 4.320 0.000 0.000 0.292 284 A C -2.396 175.137 177.584 -0.084 0.000 1.487 284 A CA -0.192 51.832 52.037 -0.021 0.000 0.760 284 A CB -1.990 17.010 19.000 -0.001 0.000 1.031 284 A HN 0.485 nan 8.150 nan 0.000 0.503 285 P HA 0.484 nan 4.420 nan 0.000 0.276 285 P C -0.343 176.707 177.300 -0.417 0.000 1.244 285 P CA -0.186 62.663 63.100 -0.418 0.000 0.801 285 P CB 1.529 32.739 31.700 -0.815 0.000 1.006 286 V N 2.904 122.546 119.914 -0.454 0.000 2.325 286 V HA 0.246 4.366 4.120 0.000 0.000 0.280 286 V C -0.406 175.492 176.094 -0.326 0.000 1.016 286 V CA -0.321 61.803 62.300 -0.293 0.000 0.818 286 V CB 0.129 31.857 31.823 -0.159 0.000 1.019 286 V HN 0.303 nan 8.190 nan 0.000 0.434 287 F N 5.396 125.324 119.950 -0.036 0.000 2.368 287 F HA 0.488 5.016 4.527 0.000 0.000 0.362 287 F C 0.671 176.357 175.800 -0.189 0.000 1.137 287 F CA -0.763 57.139 58.000 -0.164 0.000 1.161 287 F CB 0.448 39.268 39.000 -0.299 0.000 1.265 287 F HN 0.695 nan 8.300 nan 0.000 0.530 288 N N 0.182 118.860 118.700 -0.036 0.000 3.091 288 N HA 0.243 4.983 4.740 0.000 0.000 0.329 288 N C 0.480 175.637 175.510 -0.589 0.000 1.430 288 N CA -0.742 52.231 53.050 -0.129 0.000 0.755 288 N CB 0.303 38.750 38.487 -0.066 0.000 1.626 288 N HN 0.232 nan 8.380 nan 0.000 0.614 289 D N -1.493 118.469 120.400 -0.730 0.000 2.219 289 D HA -0.187 4.453 4.640 0.000 0.000 0.205 289 D C 0.853 176.988 176.300 -0.274 0.000 0.970 289 D CA 1.348 54.738 54.000 -1.016 0.000 0.851 289 D CB -0.325 40.131 40.800 -0.574 0.000 0.943 289 D HN 0.433 nan 8.370 nan 0.000 0.488 290 Y N 1.771 121.993 120.300 -0.130 0.000 2.231 290 Y HA -0.037 4.513 4.550 0.000 0.000 0.294 290 Y C 3.003 179.158 175.900 0.425 0.000 1.120 290 Y CA 0.723 58.989 58.100 0.275 0.000 1.141 290 Y CB -0.824 37.854 38.460 0.362 0.000 1.022 290 Y HN 0.125 nan 8.280 nan 0.000 0.523 291 S N -1.026 114.851 115.700 0.295 0.000 2.406 291 S HA -0.117 4.353 4.470 0.000 0.000 0.228 291 S C 1.754 176.521 174.600 0.280 0.000 1.020 291 S CA 1.372 59.681 58.200 0.182 0.000 0.965 291 S CB -1.152 62.015 63.200 -0.055 0.000 0.798 291 S HN 0.500 nan 8.310 nan 0.000 0.488 292 T N -0.688 113.931 114.554 0.109 0.000 3.129 292 T HA 0.311 4.661 4.350 0.000 0.000 0.251 292 T C 0.493 175.219 174.700 0.044 0.000 1.117 292 T CA 0.127 62.278 62.100 0.084 0.000 1.034 292 T CB -0.768 68.066 68.868 -0.056 0.000 0.968 292 T HN 0.601 nan 8.240 nan 0.000 0.526 293 V N 1.182 121.142 119.914 0.077 0.000 5.981 293 V HA -0.096 4.024 4.120 0.000 0.000 0.233 293 V C 1.406 177.379 176.094 -0.202 0.000 0.653 293 V CA 0.521 62.783 62.300 -0.064 0.000 0.677 293 V CB -2.739 29.051 31.823 -0.056 0.000 0.632 293 V HN 1.228 nan 8.190 nan 0.000 0.464 294 G N 1.662 110.244 108.800 -0.365 0.000 2.305 294 G HA2 -0.285 3.675 3.960 0.000 0.000 0.287 294 G HA3 -0.285 3.675 3.960 0.000 0.000 0.287 294 G C 0.300 175.079 174.900 -0.203 0.000 1.036 294 G CA 0.830 45.690 45.100 -0.399 0.000 0.887 294 G HN 2.143 nan 8.290 nan 0.000 0.505 295 W N -2.661 118.681 121.300 0.069 0.000 2.869 295 W HA -0.331 4.329 4.660 0.000 0.000 0.285 295 W C 1.857 178.481 176.519 0.175 0.000 1.098 295 W CA 1.017 58.446 57.345 0.141 0.000 0.571 295 W CB -2.105 27.447 29.460 0.154 0.000 2.131 295 W HN 1.105 nan 8.180 nan 0.000 1.367 296 S N -0.772 115.065 115.700 0.229 0.000 2.478 296 S HA 0.515 4.985 4.470 0.000 0.000 0.222 296 S C 0.921 175.639 174.600 0.197 0.000 1.008 296 S CA 0.368 58.676 58.200 0.181 0.000 0.928 296 S CB 0.547 63.800 63.200 0.088 0.000 0.781 296 S HN 0.710 nan 8.310 nan 0.000 0.518 297 A N 0.936 123.891 122.820 0.226 0.000 2.978 297 A HA 0.554 4.874 4.320 0.000 0.000 0.341 297 A C -1.210 176.604 177.584 0.385 0.000 1.105 297 A CA -0.452 51.748 52.037 0.271 0.000 0.819 297 A CB -0.173 18.908 19.000 0.135 0.000 1.080 297 A HN 0.513 nan 8.150 nan 0.000 0.476 298 W N 4.364 125.717 121.300 0.089 0.000 2.481 298 W HA 0.540 5.200 4.660 0.000 0.000 0.285 298 W C -3.147 173.255 176.519 -0.196 0.000 1.017 298 W CA -3.062 54.206 57.345 -0.129 0.000 1.499 298 W CB 1.138 30.575 29.460 -0.039 0.000 1.381 298 W HN 0.335 nan 8.180 nan 0.000 0.390 299 P HA 0.307 nan 4.420 nan 0.000 0.276 299 P C -0.790 176.373 177.300 -0.229 0.000 1.243 299 P CA 0.338 63.388 63.100 -0.084 0.000 0.768 299 P CB 0.952 32.660 31.700 0.014 0.000 0.856 300 K N 1.079 121.323 120.400 -0.259 0.000 2.507 300 K HA 0.807 5.127 4.320 0.000 0.000 0.284 300 K C -0.295 176.202 176.600 -0.171 0.000 1.038 300 K CA -0.945 55.187 56.287 -0.259 0.000 0.903 300 K CB 0.991 33.188 32.500 -0.504 0.000 1.531 300 K HN 0.585 nan 8.250 nan 0.000 0.430 301 G N -0.091 108.630 108.800 -0.132 0.000 2.526 301 G HA2 -0.120 3.840 3.960 0.000 0.000 0.250 301 G HA3 -0.120 3.840 3.960 0.000 0.000 0.250 301 G C -2.078 172.795 174.900 -0.046 0.000 1.289 301 G CA -0.358 44.686 45.100 -0.093 0.000 0.947 301 G HN 0.484 nan 8.290 nan 0.000 0.517 302 P HA -0.066 nan 4.420 nan 0.000 0.218 302 P C 1.159 178.459 177.300 0.000 0.000 1.148 302 P CA 1.431 64.524 63.100 -0.012 0.000 0.822 302 P CB -0.101 31.592 31.700 -0.013 0.000 0.784 303 N N -0.405 118.290 118.700 -0.008 0.000 2.461 303 N HA 0.033 4.773 4.740 0.000 0.000 0.188 303 N C 0.104 175.619 175.510 0.009 0.000 1.134 303 N CA 0.296 53.346 53.050 -0.000 0.000 0.878 303 N CB 0.224 38.705 38.487 -0.010 0.000 0.972 303 N HN 0.104 nan 8.380 nan 0.000 0.456 304 V N 1.843 121.765 119.914 0.014 0.000 2.398 304 V HA 0.358 4.478 4.120 0.000 0.000 0.286 304 V C 0.247 176.378 176.094 0.060 0.000 1.026 304 V CA -0.710 61.611 62.300 0.035 0.000 0.868 304 V CB 1.874 33.717 31.823 0.032 0.000 0.982 304 V HN -0.048 nan 8.190 nan 0.000 0.443 305 I N 5.915 126.532 120.570 0.078 0.000 2.287 305 I HA 0.245 4.415 4.170 0.000 0.000 0.290 305 I C -0.352 175.829 176.117 0.107 0.000 1.069 305 I CA -0.326 61.033 61.300 0.099 0.000 1.237 305 I CB 1.052 39.125 38.000 0.121 0.000 1.418 305 I HN 0.379 nan 8.210 nan 0.000 0.481 306 L N 7.549 128.831 121.223 0.099 0.000 2.295 306 L HA 0.557 4.897 4.340 0.000 0.000 0.288 306 L C 0.250 177.150 176.870 0.051 0.000 1.079 306 L CA -0.081 54.825 54.840 0.111 0.000 0.830 306 L CB 0.506 42.644 42.059 0.131 0.000 1.200 306 L HN 0.634 nan 8.230 nan 0.000 0.438 307 A N 5.627 128.476 122.820 0.048 0.000 2.316 307 A HA 0.613 4.933 4.320 0.000 0.000 0.324 307 A C -0.074 177.508 177.584 -0.002 0.000 1.375 307 A CA -0.607 51.419 52.037 -0.019 0.000 0.882 307 A CB 0.112 19.147 19.000 0.058 0.000 1.152 307 A HN 0.765 nan 8.150 nan 0.000 0.512 308 E N 2.644 122.821 120.200 -0.039 0.000 2.267 308 E HA 0.282 4.632 4.350 0.000 0.000 0.258 308 E C -1.779 174.794 176.600 -0.046 0.000 1.074 308 E CA -1.994 54.387 56.400 -0.032 0.000 0.915 308 E CB 0.754 30.437 29.700 -0.029 0.000 1.186 308 E HN 0.292 nan 8.360 nan 0.000 0.439 309 P HA -0.133 nan 4.420 nan 0.000 0.226 309 P C 0.143 177.402 177.300 -0.067 0.000 1.146 309 P CA 1.403 64.480 63.100 -0.039 0.000 0.773 309 P CB 0.263 31.936 31.700 -0.046 0.000 0.772 310 D N -2.362 117.962 120.400 -0.128 0.000 2.449 310 D HA 0.101 4.742 4.640 0.000 0.000 0.255 310 D C 0.492 176.563 176.300 -0.381 0.000 1.121 310 D CA 0.170 54.051 54.000 -0.198 0.000 0.830 310 D CB 0.973 41.690 40.800 -0.139 0.000 1.280 310 D HN 0.125 nan 8.370 nan 0.000 0.522 311 R N -1.245 119.040 120.500 -0.359 0.000 2.690 311 R HA 0.607 4.948 4.340 0.000 0.000 0.269 311 R C -2.035 174.109 176.300 -0.260 0.000 1.037 311 R CA -0.793 55.070 56.100 -0.396 0.000 0.877 311 R CB 1.010 31.175 30.300 -0.225 0.000 1.255 311 R HN -0.206 nan 8.270 nan 0.000 0.467 312 V N 1.121 120.935 119.914 -0.166 0.000 2.638 312 V HA 0.503 4.623 4.120 0.000 0.000 0.306 312 V C -0.739 175.406 176.094 0.084 0.000 1.052 312 V CA -0.615 61.620 62.300 -0.108 0.000 0.885 312 V CB 2.356 33.963 31.823 -0.359 0.000 0.999 312 V HN 0.888 nan 8.190 nan 0.000 0.424 313 T N 3.992 118.586 114.554 0.066 0.000 2.786 313 T HA 0.662 5.012 4.350 0.000 0.000 0.283 313 T C -0.821 173.955 174.700 0.126 0.000 0.992 313 T CA -0.490 61.672 62.100 0.102 0.000 0.954 313 T CB 1.509 70.407 68.868 0.051 0.000 0.934 313 T HN 0.597 nan 8.240 nan 0.000 0.440 314 V N 3.381 123.409 119.914 0.190 0.000 2.752 314 V HA 0.482 4.602 4.120 0.000 0.000 0.302 314 V C -0.890 175.304 176.094 0.167 0.000 1.133 314 V CA -0.564 61.837 62.300 0.168 0.000 0.919 314 V CB 1.715 33.641 31.823 0.172 0.000 1.026 314 V HN 0.936 nan 8.190 nan 0.000 0.429 315 D N 4.769 125.229 120.400 0.100 0.000 2.772 315 D HA -0.103 4.537 4.640 0.000 0.000 0.233 315 D C 0.975 177.311 176.300 0.061 0.000 1.143 315 D CA 2.216 56.262 54.000 0.077 0.000 0.700 315 D CB -1.189 39.665 40.800 0.090 0.000 1.076 315 D HN 2.268 nan 8.370 nan 0.000 0.430 316 G N -0.417 108.406 108.800 0.038 0.000 2.136 316 G HA2 -0.325 3.636 3.960 0.000 0.000 0.242 316 G HA3 -0.325 3.636 3.960 0.000 0.000 0.242 316 G C 0.302 175.188 174.900 -0.024 0.000 0.989 316 G CA 0.412 45.515 45.100 0.004 0.000 0.682 316 G HN 0.633 nan 8.290 nan 0.000 0.522 317 R N -0.492 119.991 120.500 -0.028 0.000 2.673 317 R HA 0.705 5.045 4.340 0.000 0.000 0.281 317 R C -0.285 175.868 176.300 -0.245 0.000 0.991 317 R CA -0.120 55.865 56.100 -0.191 0.000 0.896 317 R CB 1.974 32.086 30.300 -0.314 0.000 1.201 317 R HN 0.583 nan 8.270 nan 0.000 0.457 318 A N 2.675 125.297 122.820 -0.330 0.000 2.304 318 A HA 0.619 4.939 4.320 0.000 0.000 0.323 318 A C -1.423 175.936 177.584 -0.374 0.000 1.195 318 A CA -0.402 51.500 52.037 -0.224 0.000 0.826 318 A CB 0.474 19.400 19.000 -0.123 0.000 1.184 318 A HN 0.631 nan 8.150 nan 0.000 0.496 319 Y N 2.128 122.424 120.300 -0.007 0.000 2.331 319 Y HA 0.461 5.011 4.550 0.000 0.000 0.334 319 Y C 0.142 175.962 175.900 -0.133 0.000 0.960 319 Y CA -0.882 57.245 58.100 0.045 0.000 1.130 319 Y CB 1.733 40.321 38.460 0.212 0.000 1.164 319 Y HN 0.812 nan 8.280 nan 0.000 0.458 320 D N 0.639 121.010 120.400 -0.049 0.000 2.497 320 D HA 0.552 5.192 4.640 0.000 0.000 0.243 320 D C 0.707 176.841 176.300 -0.276 0.000 1.039 320 D CA -0.541 53.283 54.000 -0.294 0.000 1.052 320 D CB 2.031 42.725 40.800 -0.176 0.000 1.344 320 D HN 0.721 nan 8.370 nan 0.000 0.553 321 G N -0.275 108.328 108.800 -0.329 0.000 2.130 321 G HA2 -0.018 3.942 3.960 0.000 0.000 0.216 321 G HA3 -0.018 3.942 3.960 0.000 0.000 0.216 321 G C -0.274 174.612 174.900 -0.023 0.000 0.999 321 G CA 0.296 45.322 45.100 -0.123 0.000 0.686 321 G HN 0.778 nan 8.290 nan 0.000 0.515 322 F N -1.174 118.764 119.950 -0.021 0.000 2.662 322 F HA 0.827 5.354 4.527 0.000 0.000 0.312 322 F C 0.125 175.917 175.800 -0.013 0.000 1.113 322 F CA -1.049 56.934 58.000 -0.028 0.000 0.951 322 F CB 0.502 39.488 39.000 -0.023 0.000 1.344 322 F HN 0.396 nan 8.300 nan 0.000 0.462 323 T N -0.104 114.605 114.554 0.258 0.000 2.904 323 T HA 0.292 4.643 4.350 0.000 0.000 0.290 323 T C 0.811 175.687 174.700 0.293 0.000 1.018 323 T CA -0.516 61.682 62.100 0.164 0.000 1.075 323 T CB 1.457 70.385 68.868 0.100 0.000 0.986 323 T HN 0.904 nan 8.240 nan 0.000 0.523 324 L N 1.193 122.524 121.223 0.181 0.000 2.042 324 L HA -0.050 4.290 4.340 0.000 0.000 0.210 324 L C 2.816 179.831 176.870 0.241 0.000 1.076 324 L CA 1.725 56.702 54.840 0.228 0.000 0.749 324 L CB -0.759 41.369 42.059 0.117 0.000 0.893 324 L HN 0.808 nan 8.230 nan 0.000 0.432 325 R N -0.341 120.243 120.500 0.141 0.000 2.083 325 R HA -0.186 4.154 4.340 0.000 0.000 0.237 325 R C 2.066 178.420 176.300 0.091 0.000 1.137 325 R CA 1.661 57.817 56.100 0.092 0.000 0.951 325 R CB -0.542 29.787 30.300 0.047 0.000 0.851 325 R HN 0.536 nan 8.270 nan 0.000 0.434 326 A N 0.203 123.091 122.820 0.114 0.000 1.930 326 A HA -0.176 4.144 4.320 0.000 0.000 0.217 326 A C 1.988 179.595 177.584 0.038 0.000 1.175 326 A CA 1.168 53.245 52.037 0.067 0.000 0.627 326 A CB -0.708 18.333 19.000 0.068 0.000 0.815 326 A HN 0.495 nan 8.150 nan 0.000 0.443 327 F N 0.624 120.553 119.950 -0.034 0.000 2.113 327 F HA -0.104 4.424 4.527 0.000 0.000 0.297 327 F C 1.851 177.614 175.800 -0.063 0.000 1.103 327 F CA 1.682 59.611 58.000 -0.119 0.000 1.248 327 F CB -0.284 38.739 39.000 0.038 0.000 0.999 327 F HN 0.132 nan 8.300 nan 0.000 0.475 328 L N -0.240 120.957 121.223 -0.042 0.000 2.093 328 L HA -0.208 4.132 4.340 0.000 0.000 0.208 328 L C 2.525 179.301 176.870 -0.155 0.000 1.085 328 L CA 1.351 56.109 54.840 -0.136 0.000 0.755 328 L CB -0.831 41.249 42.059 0.036 0.000 0.904 328 L HN 0.221 nan 8.230 nan 0.000 0.435 329 Q N -0.236 119.508 119.800 -0.094 0.000 2.020 329 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 329 Q C 2.434 178.358 176.000 -0.126 0.000 0.982 329 Q CA 1.964 57.718 55.803 -0.082 0.000 0.838 329 Q CB -0.249 28.464 28.738 -0.042 0.000 0.899 329 Q HN 0.543 nan 8.270 nan 0.000 0.423 330 A N 0.289 123.007 122.820 -0.170 0.000 1.933 330 A HA -0.170 4.150 4.320 0.000 0.000 0.218 330 A C 1.979 179.413 177.584 -0.249 0.000 1.175 330 A CA 1.155 53.079 52.037 -0.189 0.000 0.628 330 A CB -0.608 18.273 19.000 -0.199 0.000 0.814 330 A HN 0.388 nan 8.150 nan 0.000 0.444 331 L N -0.305 120.680 121.223 -0.396 0.000 2.093 331 L HA -0.007 4.333 4.340 0.000 0.000 0.208 331 L C 2.618 179.354 176.870 -0.224 0.000 1.085 331 L CA 1.977 56.578 54.840 -0.399 0.000 0.755 331 L CB -0.659 41.004 42.059 -0.659 0.000 0.904 331 L HN 0.328 nan 8.230 nan 0.000 0.435 332 A N -0.770 121.945 122.820 -0.176 0.000 2.019 332 A HA -0.169 4.151 4.320 0.000 0.000 0.219 332 A C 2.075 179.614 177.584 -0.076 0.000 1.164 332 A CA 1.580 53.558 52.037 -0.098 0.000 0.644 332 A CB -0.491 18.469 19.000 -0.067 0.000 0.805 332 A HN 0.594 nan 8.150 nan 0.000 0.449 333 E N 0.035 120.183 120.200 -0.087 0.000 2.106 333 E HA -0.143 4.207 4.350 0.000 0.000 0.192 333 E C 1.323 177.886 176.600 -0.063 0.000 0.984 333 E CA 0.996 57.357 56.400 -0.066 0.000 0.806 333 E CB -0.160 29.500 29.700 -0.066 0.000 0.750 333 E HN 0.485 nan 8.360 nan 0.000 0.458 334 K N 0.122 120.473 120.400 -0.082 0.000 2.348 334 K HA 0.242 4.562 4.320 0.000 0.000 0.194 334 K C 0.784 177.346 176.600 -0.063 0.000 1.052 334 K CA 0.099 56.344 56.287 -0.071 0.000 1.004 334 K CB 0.572 33.022 32.500 -0.084 0.000 0.873 334 K HN -0.031 nan 8.250 nan 0.000 0.523 335 A N 4.470 127.247 122.820 -0.072 0.000 2.498 335 A HA 0.193 4.513 4.320 0.000 0.000 0.239 335 A C -2.067 175.497 177.584 -0.033 0.000 1.068 335 A CA -0.646 51.358 52.037 -0.055 0.000 0.766 335 A CB -0.350 18.614 19.000 -0.061 0.000 1.003 335 A HN -0.011 nan 8.150 nan 0.000 0.497 336 P HA 0.435 nan 4.420 nan 0.000 0.278 336 P C -0.619 176.678 177.300 -0.005 0.000 1.266 336 P CA -0.348 62.745 63.100 -0.013 0.000 0.807 336 P CB 1.015 32.709 31.700 -0.010 0.000 1.094 337 A N 1.645 124.465 122.820 -0.000 0.000 2.309 337 A HA 0.471 4.791 4.320 0.000 0.000 0.290 337 A C 0.093 177.682 177.584 0.007 0.000 1.206 337 A CA -0.217 51.825 52.037 0.007 0.000 0.850 337 A CB -0.426 18.579 19.000 0.009 0.000 1.118 337 A HN 0.365 nan 8.150 nan 0.000 0.523 338 R N 3.214 123.720 120.500 0.011 0.000 2.629 338 R HA 0.360 4.700 4.340 0.000 0.000 0.275 338 R C -2.434 173.874 176.300 0.013 0.000 1.719 338 R CA -1.526 54.579 56.100 0.009 0.000 1.472 338 R CB 1.299 31.602 30.300 0.005 0.000 1.237 338 R HN 0.490 nan 8.270 nan 0.000 0.589 339 P HA 0.069 nan 4.420 nan 0.000 0.251 339 P C 0.854 178.163 177.300 0.016 0.000 1.223 339 P CA 0.294 63.406 63.100 0.021 0.000 0.796 339 P CB 0.535 32.248 31.700 0.022 0.000 1.068 340 A N 1.140 123.966 122.820 0.010 0.000 1.915 340 A HA -0.267 4.053 4.320 0.000 0.000 0.220 340 A C 2.321 179.908 177.584 0.004 0.000 1.198 340 A CA 2.790 54.831 52.037 0.006 0.000 0.647 340 A CB -1.714 17.288 19.000 0.003 0.000 0.825 340 A HN 0.314 nan 8.150 nan 0.000 0.456 341 S N 0.285 115.985 115.700 0.001 0.000 2.382 341 S HA -0.018 4.452 4.470 0.000 0.000 0.228 341 S C 2.184 176.782 174.600 -0.003 0.000 1.027 341 S CA 1.326 59.522 58.200 -0.007 0.000 0.991 341 S CB -0.616 62.574 63.200 -0.017 0.000 0.823 341 S HN 0.893 nan 8.310 nan 0.000 0.469 342 A N 2.461 125.287 122.820 0.010 0.000 1.897 342 A HA -0.124 4.196 4.320 0.000 0.000 0.215 342 A C 2.283 179.880 177.584 0.021 0.000 1.181 342 A CA 1.219 53.269 52.037 0.022 0.000 0.620 342 A CB -0.652 18.375 19.000 0.046 0.000 0.821 342 A HN 0.698 nan 8.150 nan 0.000 0.443 343 Q N -1.265 118.547 119.800 0.019 0.000 2.435 343 Q HA 0.026 4.366 4.340 0.000 0.000 0.207 343 Q C 0.719 176.726 176.000 0.012 0.000 0.956 343 Q CA 1.142 56.955 55.803 0.017 0.000 0.917 343 Q CB -0.165 28.582 28.738 0.016 0.000 0.997 343 Q HN 0.324 nan 8.270 nan 0.000 0.497 344 K N 1.205 121.610 120.400 0.008 0.000 2.410 344 K HA 0.138 4.458 4.320 0.000 0.000 0.200 344 K C -0.539 176.064 176.600 0.004 0.000 1.023 344 K CA 0.050 56.340 56.287 0.006 0.000 1.149 344 K CB 1.070 33.572 32.500 0.003 0.000 0.859 344 K HN 0.364 nan 8.250 nan 0.000 0.514 345 S N -2.413 113.290 115.700 0.005 0.000 2.570 345 S HA 0.570 5.040 4.470 0.000 0.000 0.270 345 S C -0.569 174.034 174.600 0.006 0.000 1.149 345 S CA -1.010 57.190 58.200 0.001 0.000 0.837 345 S CB 1.771 64.965 63.200 -0.011 0.000 1.124 345 S HN -0.116 nan 8.310 nan 0.000 0.465 346 S N 0.806 116.509 115.700 0.005 0.000 2.617 346 S HA 0.560 5.030 4.470 0.000 0.000 0.283 346 S C 0.089 174.696 174.600 0.012 0.000 1.189 346 S CA -0.657 57.552 58.200 0.014 0.000 1.036 346 S CB 1.517 64.727 63.200 0.017 0.000 1.014 346 S HN 1.038 nan 8.310 nan 0.000 0.522 347 V N 4.931 124.866 119.914 0.035 0.000 2.599 347 V HA 0.184 4.304 4.120 0.000 0.000 0.300 347 V C -2.036 174.086 176.094 0.047 0.000 1.034 347 V CA -1.489 60.845 62.300 0.057 0.000 1.115 347 V CB 0.239 32.120 31.823 0.096 0.000 0.934 347 V HN 0.694 nan 8.190 nan 0.000 0.485 348 P HA 0.203 nan 4.420 nan 0.000 0.271 348 P C -0.515 176.833 177.300 0.081 0.000 1.216 348 P CA 0.188 63.309 63.100 0.035 0.000 0.771 348 P CB 1.010 32.711 31.700 0.002 0.000 0.864 349 T N 1.597 116.188 114.554 0.062 0.000 2.916 349 T HA 0.485 4.836 4.350 0.000 0.000 0.292 349 T C -1.402 173.332 174.700 0.058 0.000 1.055 349 T CA -0.514 61.623 62.100 0.062 0.000 1.009 349 T CB 0.952 69.848 68.868 0.047 0.000 1.118 349 T HN 0.540 nan 8.240 nan 0.000 0.497 350 C N 2.871 122.203 119.300 0.054 0.000 2.432 350 C HA 0.709 5.169 4.460 0.000 0.000 0.334 350 C C 0.174 175.187 174.990 0.038 0.000 1.155 350 C CA -0.558 58.490 59.018 0.050 0.000 1.335 350 C CB 0.197 27.972 27.740 0.059 0.000 1.964 350 C HN 0.899 nan 8.230 nan 0.000 0.444 351 S N 5.123 120.843 115.700 0.033 0.000 2.455 351 S HA 0.575 5.045 4.470 0.000 0.000 0.278 351 S C -0.556 174.059 174.600 0.025 0.000 1.216 351 S CA -0.072 58.144 58.200 0.026 0.000 1.055 351 S CB -0.079 63.135 63.200 0.022 0.000 0.939 351 S HN 0.665 nan 8.310 nan 0.000 0.494 352 L N 4.226 125.463 121.223 0.023 0.000 2.343 352 L HA 0.357 4.697 4.340 0.000 0.000 0.278 352 L C 0.546 177.428 176.870 0.020 0.000 0.996 352 L CA -0.647 54.206 54.840 0.022 0.000 0.831 352 L CB 1.915 43.988 42.059 0.023 0.000 1.232 352 L HN 0.490 nan 8.230 nan 0.000 0.413 353 T N 2.753 117.318 114.554 0.019 0.000 2.834 353 T HA 0.482 4.832 4.350 0.000 0.000 0.298 353 T C 0.191 174.905 174.700 0.023 0.000 0.966 353 T CA -0.376 61.734 62.100 0.018 0.000 1.141 353 T CB 0.509 69.385 68.868 0.013 0.000 0.905 353 T HN 0.641 nan 8.240 nan 0.000 0.535 354 A N 4.524 127.357 122.820 0.023 0.000 2.310 354 A HA 0.656 4.976 4.320 0.000 0.000 0.299 354 A C 0.592 178.193 177.584 0.028 0.000 1.147 354 A CA -0.582 51.472 52.037 0.029 0.000 0.818 354 A CB 1.241 20.256 19.000 0.024 0.000 1.096 354 A HN 0.875 nan 8.150 nan 0.000 0.495 355 T N -0.111 114.465 114.554 0.036 0.000 2.841 355 T HA 0.637 4.987 4.350 0.000 0.000 0.276 355 T C 0.610 175.329 174.700 0.033 0.000 1.003 355 T CA 0.205 62.323 62.100 0.030 0.000 0.995 355 T CB 0.890 69.774 68.868 0.027 0.000 1.260 355 T HN 1.325 nan 8.240 nan 0.000 0.581 356 S N 0.476 116.192 115.700 0.027 0.000 2.693 356 S HA 0.304 4.774 4.470 0.000 0.000 0.276 356 S C 0.769 175.390 174.600 0.034 0.000 1.192 356 S CA -0.389 57.828 58.200 0.028 0.000 0.994 356 S CB 0.742 63.954 63.200 0.021 0.000 1.012 356 S HN 0.677 nan 8.310 nan 0.000 0.550 357 D N 0.680 121.101 120.400 0.036 0.000 2.133 357 D HA -0.099 4.541 4.640 0.000 0.000 0.195 357 D C 1.449 177.766 176.300 0.029 0.000 0.997 357 D CA 1.511 55.535 54.000 0.040 0.000 0.840 357 D CB 0.003 40.825 40.800 0.036 0.000 0.947 357 D HN 0.697 nan 8.370 nan 0.000 0.452 358 E N -0.260 119.953 120.200 0.021 0.000 2.481 358 E HA 0.237 4.587 4.350 0.000 0.000 0.198 358 E C 0.529 177.136 176.600 0.012 0.000 1.027 358 E CA -0.125 56.284 56.400 0.016 0.000 0.900 358 E CB 0.492 30.201 29.700 0.014 0.000 0.993 358 E HN 0.108 nan 8.360 nan 0.000 0.482 359 A N 1.319 124.146 122.820 0.012 0.000 2.406 359 A HA 0.413 4.733 4.320 0.000 0.000 0.243 359 A C 0.912 178.499 177.584 0.005 0.000 1.082 359 A CA 0.381 52.424 52.037 0.009 0.000 0.786 359 A CB 0.108 19.114 19.000 0.011 0.000 1.029 359 A HN 0.122 nan 8.150 nan 0.000 0.495 360 G N -0.279 108.523 108.800 0.003 0.000 2.414 360 G HA2 0.393 4.353 3.960 0.000 0.000 0.236 360 G HA3 0.393 4.353 3.960 0.000 0.000 0.236 360 G C 0.025 174.922 174.900 -0.005 0.000 1.293 360 G CA -0.325 44.775 45.100 0.000 0.000 0.869 360 G HN 0.847 nan 8.290 nan 0.000 0.556 361 L N 1.444 122.660 121.223 -0.011 0.000 2.485 361 L HA 0.388 4.728 4.340 0.000 0.000 0.275 361 L C 0.729 177.589 176.870 -0.016 0.000 1.207 361 L CA 0.716 55.542 54.840 -0.023 0.000 0.855 361 L CB 0.871 42.909 42.059 -0.034 0.000 1.114 361 L HN 0.471 nan 8.230 nan 0.000 0.485 362 T N 3.976 118.519 114.554 -0.018 0.000 2.893 362 T HA 0.208 4.558 4.350 0.000 0.000 0.291 362 T C 0.847 175.540 174.700 -0.012 0.000 1.028 362 T CA -0.233 61.862 62.100 -0.009 0.000 0.995 362 T CB 1.618 70.486 68.868 0.001 0.000 1.051 362 T HN 0.727 nan 8.240 nan 0.000 0.470 363 N N 1.814 120.509 118.700 -0.008 0.000 2.037 363 N HA -0.178 4.562 4.740 0.000 0.000 0.196 363 N C 1.230 176.739 175.510 -0.002 0.000 1.034 363 N CA 2.096 55.142 53.050 -0.008 0.000 0.861 363 N CB -0.057 38.428 38.487 -0.004 0.000 1.039 363 N HN 0.527 nan 8.380 nan 0.000 0.427 364 D N -0.411 119.993 120.400 0.007 0.000 2.149 364 D HA -0.139 4.501 4.640 0.000 0.000 0.198 364 D C 1.710 178.027 176.300 0.029 0.000 0.990 364 D CA 0.883 54.893 54.000 0.017 0.000 0.839 364 D CB -0.298 40.513 40.800 0.018 0.000 0.948 364 D HN 0.410 nan 8.370 nan 0.000 0.460 365 E N -0.006 120.214 120.200 0.033 0.000 2.152 365 E HA -0.024 4.326 4.350 0.000 0.000 0.192 365 E C 2.038 178.685 176.600 0.078 0.000 0.983 365 E CA 0.400 56.846 56.400 0.076 0.000 0.818 365 E CB -0.137 29.591 29.700 0.046 0.000 0.758 365 E HN 0.302 nan 8.360 nan 0.000 0.467 366 I N -0.551 120.008 120.570 -0.017 0.000 2.179 366 I HA -0.256 3.914 4.170 0.000 0.000 0.242 366 I C 2.070 178.142 176.117 -0.075 0.000 1.088 366 I CA 0.738 61.992 61.300 -0.076 0.000 1.357 366 I CB -0.225 37.722 38.000 -0.089 0.000 1.051 366 I HN 0.027 nan 8.210 nan 0.000 0.409 367 V N 0.629 120.519 119.914 -0.041 0.000 2.343 367 V HA -0.298 3.822 4.120 0.000 0.000 0.247 367 V C 2.588 178.673 176.094 -0.015 0.000 1.051 367 V CA 1.852 64.127 62.300 -0.041 0.000 1.036 367 V CB -0.784 31.035 31.823 -0.008 0.000 0.654 367 V HN 0.363 nan 8.190 nan 0.000 0.451 368 R N -1.079 119.442 120.500 0.035 0.000 2.091 368 R HA -0.183 4.157 4.340 0.000 0.000 0.238 368 R C 2.351 178.650 176.300 -0.002 0.000 1.136 368 R CA 1.894 58.011 56.100 0.029 0.000 0.959 368 R CB -0.271 30.063 30.300 0.057 0.000 0.856 368 R HN 0.621 nan 8.270 nan 0.000 0.437 369 H N -0.402 118.630 119.070 -0.063 0.000 2.363 369 H HA -0.011 4.545 4.556 0.000 0.000 0.301 369 H C 1.890 177.160 175.328 -0.097 0.000 1.074 369 H CA 1.724 57.740 56.048 -0.055 0.000 1.354 369 H CB -0.014 29.729 29.762 -0.032 0.000 1.397 369 H HN 0.146 nan 8.280 nan 0.000 0.516 370 I N 0.052 120.562 120.570 -0.100 0.000 2.252 370 I HA -0.262 3.908 4.170 0.000 0.000 0.245 370 I C 2.152 178.220 176.117 -0.081 0.000 1.102 370 I CA 1.232 62.407 61.300 -0.208 0.000 1.385 370 I CB -0.343 37.405 38.000 -0.420 0.000 1.064 370 I HN 0.340 nan 8.210 nan 0.000 0.414 371 N N 0.717 119.381 118.700 -0.060 0.000 2.094 371 N HA -0.207 4.533 4.740 0.000 0.000 0.191 371 N C 1.885 177.379 175.510 -0.027 0.000 1.023 371 N CA 1.209 54.238 53.050 -0.035 0.000 0.857 371 N CB -0.025 38.448 38.487 -0.024 0.000 1.013 371 N HN 0.348 nan 8.380 nan 0.000 0.426 372 A N 0.472 123.271 122.820 -0.035 0.000 2.015 372 A HA -0.048 4.272 4.320 0.000 0.000 0.219 372 A C 2.062 179.643 177.584 -0.006 0.000 1.163 372 A CA 0.646 52.663 52.037 -0.033 0.000 0.646 372 A CB -0.400 18.558 19.000 -0.070 0.000 0.806 372 A HN 0.337 nan 8.150 nan 0.000 0.448 373 L N -0.275 120.957 121.223 0.015 0.000 2.156 373 L HA 0.053 4.393 4.340 0.000 0.000 0.208 373 L C 0.307 177.194 176.870 0.029 0.000 1.095 373 L CA 0.207 55.074 54.840 0.046 0.000 0.770 373 L CB -0.272 41.848 42.059 0.101 0.000 0.914 373 L HN 0.319 nan 8.230 nan 0.000 0.439 374 L N 0.764 121.993 121.223 0.010 0.000 2.513 374 L HA 0.021 4.361 4.340 0.000 0.000 0.272 374 L C 0.558 177.423 176.870 -0.008 0.000 1.187 374 L CA 0.092 54.931 54.840 -0.001 0.000 0.895 374 L CB 0.151 42.203 42.059 -0.012 0.000 1.147 374 L HN 0.229 nan 8.230 nan 0.000 0.483 375 T N -2.130 112.416 114.554 -0.013 0.000 2.910 375 T HA 0.253 4.603 4.350 0.000 0.000 0.287 375 T C 0.998 175.679 174.700 -0.030 0.000 1.050 375 T CA -0.173 61.916 62.100 -0.019 0.000 1.011 375 T CB 1.605 70.465 68.868 -0.013 0.000 1.195 375 T HN 0.553 nan 8.240 nan 0.000 0.540 376 S N 0.014 115.695 115.700 -0.032 0.000 2.469 376 S HA -0.121 4.349 4.470 0.000 0.000 0.238 376 S C 1.324 175.897 174.600 -0.044 0.000 0.998 376 S CA 1.220 59.396 58.200 -0.040 0.000 0.957 376 S CB -0.787 62.390 63.200 -0.038 0.000 0.764 376 S HN 0.761 nan 8.310 nan 0.000 0.514 377 N N 1.098 119.773 118.700 -0.042 0.000 2.235 377 N HA 0.167 4.907 4.740 0.000 0.000 0.209 377 N C -0.739 174.724 175.510 -0.078 0.000 1.122 377 N CA 0.058 53.077 53.050 -0.051 0.000 0.845 377 N CB 0.254 38.720 38.487 -0.035 0.000 1.004 377 N HN 0.308 nan 8.380 nan 0.000 0.499 378 T N -0.379 114.130 114.554 -0.075 0.000 2.875 378 T HA 0.341 4.691 4.350 0.000 0.000 0.284 378 T C -0.342 174.279 174.700 -0.131 0.000 0.995 378 T CA -0.210 61.832 62.100 -0.096 0.000 1.060 378 T CB 1.556 70.398 68.868 -0.044 0.000 0.967 378 T HN -0.080 nan 8.240 nan 0.000 0.476 379 T N 3.626 118.051 114.554 -0.215 0.000 2.791 379 T HA 0.443 4.793 4.350 0.000 0.000 0.288 379 T C -0.594 174.074 174.700 -0.054 0.000 0.999 379 T CA -0.565 61.436 62.100 -0.165 0.000 0.952 379 T CB 0.528 69.222 68.868 -0.290 0.000 0.938 379 T HN 0.356 nan 8.240 nan 0.000 0.444 380 L N 4.888 126.116 121.223 0.009 0.000 2.272 380 L HA 0.598 4.938 4.340 0.000 0.000 0.289 380 L C -0.829 176.097 176.870 0.094 0.000 1.032 380 L CA -0.703 54.170 54.840 0.055 0.000 0.810 380 L CB 1.008 43.090 42.059 0.037 0.000 1.205 380 L HN 0.379 nan 8.230 nan 0.000 0.422 381 V N 4.616 124.601 119.914 0.119 0.000 2.370 381 V HA 0.533 4.653 4.120 0.000 0.000 0.283 381 V C 0.296 176.503 176.094 0.189 0.000 1.023 381 V CA -0.542 61.846 62.300 0.147 0.000 0.857 381 V CB 1.345 33.184 31.823 0.028 0.000 0.985 381 V HN 0.846 nan 8.190 nan 0.000 0.443 382 A N 3.772 126.766 122.820 0.291 0.000 2.291 382 A HA 0.729 5.049 4.320 0.000 0.000 0.311 382 A C -0.266 177.573 177.584 0.426 0.000 1.224 382 A CA -0.551 51.657 52.037 0.284 0.000 0.821 382 A CB 1.003 20.133 19.000 0.216 0.000 1.172 382 A HN 0.810 nan 8.150 nan 0.000 0.494 383 E N 1.669 122.049 120.200 0.301 0.000 2.392 383 E HA 0.354 4.704 4.350 0.000 0.000 0.259 383 E C 0.132 176.695 176.600 -0.063 0.000 1.108 383 E CA 0.167 56.720 56.400 0.256 0.000 0.916 383 E CB 0.509 30.298 29.700 0.148 0.000 0.989 383 E HN 0.558 nan 8.360 nan 0.000 0.432 384 T N 2.449 116.840 114.554 -0.271 0.000 2.934 384 T HA 0.494 4.844 4.350 0.000 0.000 0.306 384 T C 0.311 174.566 174.700 -0.742 0.000 1.042 384 T CA 0.699 62.157 62.100 -1.070 0.000 1.145 384 T CB 0.124 68.587 68.868 -0.675 0.000 0.982 384 T HN 0.755 nan 8.240 nan 0.000 0.544 385 G N 2.813 111.086 108.800 -0.878 0.000 2.298 385 G HA2 -0.084 3.876 3.960 0.000 0.000 0.309 385 G HA3 -0.084 3.876 3.960 0.000 0.000 0.309 385 G C 0.213 175.037 174.900 -0.128 0.000 1.279 385 G CA -0.092 44.796 45.100 -0.354 0.000 1.042 385 G HN 0.542 nan 8.290 nan 0.000 0.480 386 D N -0.078 120.334 120.400 0.021 0.000 2.309 386 D HA 0.022 4.662 4.640 0.000 0.000 0.212 386 D C 2.451 178.866 176.300 0.190 0.000 0.968 386 D CA 1.821 55.922 54.000 0.169 0.000 0.882 386 D CB -0.071 40.767 40.800 0.063 0.000 0.918 386 D HN 0.289 nan 8.370 nan 0.000 0.503 387 S N -0.503 115.246 115.700 0.081 0.000 2.399 387 S HA -0.134 4.336 4.470 0.000 0.000 0.231 387 S C 1.482 176.185 174.600 0.172 0.000 1.022 387 S CA 0.415 58.674 58.200 0.099 0.000 0.983 387 S CB -0.279 62.964 63.200 0.071 0.000 0.803 387 S HN 0.450 nan 8.310 nan 0.000 0.480 388 W N 1.317 122.569 121.300 -0.080 0.000 2.321 388 W HA -0.055 4.605 4.660 0.000 0.000 0.306 388 W C 1.764 178.087 176.519 -0.326 0.000 1.217 388 W CA 0.400 57.568 57.345 -0.295 0.000 1.257 388 W CB -1.302 27.801 29.460 -0.595 0.000 1.145 388 W HN 0.333 nan 8.180 nan 0.000 0.509 389 F N 0.549 120.614 119.950 0.191 0.000 2.234 389 F HA -0.107 4.420 4.527 0.000 0.000 0.296 389 F C 2.126 177.968 175.800 0.070 0.000 1.089 389 F CA 1.615 59.678 58.000 0.105 0.000 1.343 389 F CB -1.041 37.972 39.000 0.021 0.000 1.040 389 F HN -0.007 nan 8.300 nan 0.000 0.498 390 N N 0.452 119.277 118.700 0.209 0.000 2.467 390 N HA 0.065 4.805 4.740 0.000 0.000 0.184 390 N C 1.792 177.342 175.510 0.067 0.000 1.106 390 N CA 0.715 53.834 53.050 0.115 0.000 0.892 390 N CB -0.126 38.405 38.487 0.074 0.000 0.969 390 N HN 0.234 nan 8.380 nan 0.000 0.454 391 A N 2.032 124.890 122.820 0.063 0.000 1.902 391 A HA -0.081 4.240 4.320 0.000 0.000 0.217 391 A C 2.305 179.893 177.584 0.006 0.000 1.181 391 A CA 1.116 53.167 52.037 0.023 0.000 0.623 391 A CB -0.296 18.712 19.000 0.014 0.000 0.818 391 A HN 0.102 nan 8.150 nan 0.000 0.443 392 M N -0.367 119.240 119.600 0.013 0.000 2.279 392 M HA -0.072 4.408 4.480 0.000 0.000 0.264 392 M C 1.763 178.107 176.300 0.073 0.000 1.062 392 M CA 1.214 56.533 55.300 0.032 0.000 1.099 392 M CB -1.206 31.448 32.600 0.091 0.000 1.394 392 M HN 0.366 nan 8.290 nan 0.000 0.426 393 R N -1.070 119.476 120.500 0.078 0.000 2.310 393 R HA 0.249 4.589 4.340 0.000 0.000 0.202 393 R C 0.152 176.484 176.300 0.054 0.000 0.933 393 R CA -0.047 56.098 56.100 0.075 0.000 1.054 393 R CB -0.009 30.337 30.300 0.076 0.000 0.985 393 R HN 0.296 nan 8.270 nan 0.000 0.489 394 M N 0.296 119.920 119.600 0.041 0.000 2.318 394 M HA 0.160 4.640 4.480 0.000 0.000 0.347 394 M C -0.282 176.038 176.300 0.035 0.000 1.175 394 M CA -0.035 55.280 55.300 0.025 0.000 1.075 394 M CB 2.109 34.710 32.600 0.003 0.000 1.614 394 M HN -0.142 nan 8.290 nan 0.000 0.456 395 T N 4.989 119.561 114.554 0.030 0.000 2.723 395 T HA 0.484 4.834 4.350 0.000 0.000 0.297 395 T C -0.548 174.149 174.700 -0.005 0.000 0.925 395 T CA -0.713 61.405 62.100 0.030 0.000 1.030 395 T CB -0.423 68.469 68.868 0.039 0.000 0.905 395 T HN 0.441 nan 8.240 nan 0.000 0.502 396 L N 3.326 124.529 121.223 -0.033 0.000 2.295 396 L HA 0.695 5.035 4.340 0.000 0.000 0.285 396 L C -2.444 174.386 176.870 -0.067 0.000 1.035 396 L CA -2.435 52.375 54.840 -0.050 0.000 0.806 396 L CB -0.129 41.895 42.059 -0.057 0.000 1.214 396 L HN 0.207 nan 8.230 nan 0.000 0.426 397 P HA 0.056 nan 4.420 nan 0.000 0.269 397 P C -0.529 176.728 177.300 -0.072 0.000 1.215 397 P CA -0.429 62.639 63.100 -0.054 0.000 0.780 397 P CB 0.574 32.250 31.700 -0.039 0.000 0.898 398 R N 0.929 121.383 120.500 -0.077 0.000 2.538 398 R HA 0.205 4.545 4.340 0.000 0.000 0.282 398 R C 1.264 177.520 176.300 -0.074 0.000 1.009 398 R CA 1.465 57.510 56.100 -0.091 0.000 1.063 398 R CB -0.790 29.457 30.300 -0.088 0.000 0.945 398 R HN 0.861 nan 8.270 nan 0.000 0.414 399 G N 2.155 110.910 108.800 -0.076 0.000 2.279 399 G HA2 -0.289 3.671 3.960 0.000 0.000 0.223 399 G HA3 -0.289 3.671 3.960 0.000 0.000 0.223 399 G C 0.079 174.948 174.900 -0.051 0.000 1.015 399 G CA -0.051 45.014 45.100 -0.059 0.000 0.621 399 G HN 0.939 nan 8.290 nan 0.000 0.506 400 A N 0.307 123.096 122.820 -0.052 0.000 2.445 400 A HA 0.718 5.039 4.320 0.000 0.000 0.242 400 A C 0.557 178.122 177.584 -0.031 0.000 1.075 400 A CA 0.756 52.766 52.037 -0.046 0.000 0.777 400 A CB 0.252 19.224 19.000 -0.046 0.000 1.013 400 A HN 0.593 nan 8.150 nan 0.000 0.493 401 R N 0.480 120.965 120.500 -0.025 0.000 2.562 401 R HA 0.602 4.942 4.340 0.000 0.000 0.298 401 R C -1.308 174.999 176.300 0.011 0.000 0.961 401 R CA -0.354 55.752 56.100 0.009 0.000 0.881 401 R CB 2.113 32.419 30.300 0.009 0.000 1.159 401 R HN 0.490 nan 8.270 nan 0.000 0.450 402 V N 2.893 122.820 119.914 0.022 0.000 2.555 402 V HA 0.390 4.511 4.120 0.000 0.000 0.302 402 V C -0.660 175.463 176.094 0.048 0.000 1.038 402 V CA -0.799 61.508 62.300 0.011 0.000 0.887 402 V CB 2.012 33.803 31.823 -0.054 0.000 0.991 402 V HN 0.650 nan 8.190 nan 0.000 0.434 403 E N 4.948 125.219 120.200 0.117 0.000 2.155 403 E HA 0.629 4.979 4.350 0.000 0.000 0.264 403 E C -1.164 175.602 176.600 0.276 0.000 0.886 403 E CA -0.290 56.244 56.400 0.224 0.000 0.752 403 E CB 2.411 32.306 29.700 0.324 0.000 1.133 403 E HN 0.477 nan 8.360 nan 0.000 0.414 404 L N 1.113 122.380 121.223 0.074 0.000 2.323 404 L HA 0.415 4.755 4.340 0.000 0.000 0.265 404 L C 0.536 177.193 176.870 -0.356 0.000 1.012 404 L CA -0.553 54.222 54.840 -0.108 0.000 0.820 404 L CB 2.119 43.992 42.059 -0.309 0.000 1.334 404 L HN 0.397 nan 8.230 nan 0.000 0.427 405 E N 2.113 121.973 120.200 -0.567 0.000 3.896 405 E HA 0.219 4.569 4.350 0.000 0.000 0.217 405 E C 0.263 176.730 176.600 -0.221 0.000 1.150 405 E CA -0.078 55.933 56.400 -0.648 0.000 1.338 405 E CB 0.569 29.342 29.700 -1.546 0.000 1.242 405 E HN 0.668 nan 8.360 nan 0.000 0.435 406 M N 0.350 119.775 119.600 -0.292 0.000 2.558 406 M HA -0.042 4.438 4.480 0.000 0.000 0.255 406 M C 1.822 178.069 176.300 -0.089 0.000 1.113 406 M CA 0.726 55.810 55.300 -0.360 0.000 1.097 406 M CB 0.185 32.303 32.600 -0.803 0.000 1.426 406 M HN 0.156 nan 8.290 nan 0.000 0.488 407 Q N 0.225 120.006 119.800 -0.032 0.000 2.200 407 Q HA -0.056 4.284 4.340 0.000 0.000 0.197 407 Q C 1.819 177.934 176.000 0.191 0.000 0.953 407 Q CA 1.327 57.161 55.803 0.052 0.000 0.851 407 Q CB -0.194 28.573 28.738 0.048 0.000 0.938 407 Q HN 0.606 nan 8.270 nan 0.000 0.488 408 W N 0.488 121.774 121.300 -0.024 0.000 2.444 408 W HA 0.097 4.757 4.660 0.000 0.000 0.308 408 W C 0.555 177.119 176.519 0.075 0.000 1.183 408 W CA 1.400 58.764 57.345 0.032 0.000 1.340 408 W CB 0.028 29.518 29.460 0.050 0.000 1.138 408 W HN 0.370 nan 8.180 nan 0.000 0.510 409 G N 1.262 110.175 108.800 0.188 0.000 2.295 409 G HA2 -0.325 3.635 3.960 0.000 0.000 0.287 409 G HA3 -0.325 3.635 3.960 0.000 0.000 0.287 409 G C -0.195 174.708 174.900 0.006 0.000 1.055 409 G CA 0.355 45.552 45.100 0.161 0.000 0.922 409 G HN 0.571 nan 8.290 nan 0.000 0.503 410 H N 0.894 119.938 119.070 -0.043 0.000 2.846 410 H HA 0.376 4.932 4.556 0.000 0.000 0.278 410 H C 1.455 176.790 175.328 0.011 0.000 1.117 410 H CA -0.209 55.829 56.048 -0.017 0.000 1.406 410 H CB -0.016 29.895 29.762 0.247 0.000 1.445 410 H HN 0.643 nan 8.280 nan 0.000 0.469 411 I N 1.378 121.902 120.570 -0.076 0.000 2.815 411 I HA 0.173 4.343 4.170 0.000 0.000 0.291 411 I C 1.193 177.405 176.117 0.158 0.000 1.209 411 I CA 0.995 62.288 61.300 -0.011 0.000 1.431 411 I CB 0.469 38.376 38.000 -0.155 0.000 1.351 411 I HN 0.751 nan 8.210 nan 0.000 0.585 412 G N 4.697 113.588 108.800 0.151 0.000 2.284 412 G HA2 -0.346 3.614 3.960 0.000 0.000 0.230 412 G HA3 -0.346 3.614 3.960 0.000 0.000 0.230 412 G C 0.444 175.381 174.900 0.062 0.000 1.021 412 G CA 0.474 45.656 45.100 0.136 0.000 0.619 412 G HN 1.100 nan 8.290 nan 0.000 0.510 413 W N 2.033 123.215 121.300 -0.198 0.000 2.305 413 W HA -0.083 4.577 4.660 0.000 0.000 0.308 413 W C 2.409 178.781 176.519 -0.245 0.000 1.226 413 W CA 2.918 59.919 57.345 -0.574 0.000 1.253 413 W CB -0.677 28.456 29.460 -0.546 0.000 1.146 413 W HN 0.387 nan 8.180 nan 0.000 0.507 414 S N 0.053 115.660 115.700 -0.155 0.000 2.390 414 S HA -0.313 4.157 4.470 0.000 0.000 0.234 414 S C 1.708 176.076 174.600 -0.387 0.000 1.063 414 S CA 2.713 60.700 58.200 -0.356 0.000 1.108 414 S CB -0.908 62.305 63.200 0.022 0.000 0.975 414 S HN 0.201 nan 8.310 nan 0.000 0.442 415 V N 3.222 123.026 119.914 -0.182 0.000 2.239 415 V HA -0.055 4.065 4.120 0.000 0.000 0.242 415 V C -0.608 175.420 176.094 -0.110 0.000 1.038 415 V CA 1.797 64.045 62.300 -0.087 0.000 1.002 415 V CB -1.816 29.985 31.823 -0.036 0.000 0.641 415 V HN 0.448 nan 8.190 nan 0.000 0.449 416 P HA -0.134 nan 4.420 nan 0.000 0.218 416 P C 2.004 179.256 177.300 -0.080 0.000 1.149 416 P CA 1.891 64.975 63.100 -0.027 0.000 0.817 416 P CB -0.052 31.669 31.700 0.036 0.000 0.785 417 S N -0.075 115.414 115.700 -0.351 0.000 2.359 417 S HA -0.154 4.317 4.470 0.000 0.000 0.224 417 S C 2.096 176.510 174.600 -0.310 0.000 1.035 417 S CA 1.479 59.396 58.200 -0.471 0.000 1.018 417 S CB -0.995 61.437 63.200 -1.280 0.000 0.876 417 S HN 0.138 nan 8.310 nan 0.000 0.448 418 A N 0.519 123.164 122.820 -0.293 0.000 1.933 418 A HA -0.008 4.312 4.320 0.000 0.000 0.218 418 A C 1.951 179.483 177.584 -0.087 0.000 1.175 418 A CA 1.622 53.576 52.037 -0.138 0.000 0.628 418 A CB -1.001 17.956 19.000 -0.072 0.000 0.814 418 A HN 0.688 nan 8.150 nan 0.000 0.444 419 F N 1.219 121.070 119.950 -0.165 0.000 2.075 419 F HA -0.026 4.501 4.527 0.000 0.000 0.297 419 F C 2.282 178.024 175.800 -0.097 0.000 1.113 419 F CA 1.643 59.574 58.000 -0.115 0.000 1.218 419 F CB -0.907 38.049 39.000 -0.074 0.000 0.984 419 F HN 0.176 nan 8.300 nan 0.000 0.472 420 G N 0.387 108.989 108.800 -0.330 0.000 2.421 420 G HA2 -0.357 3.603 3.960 0.000 0.000 0.216 420 G HA3 -0.357 3.603 3.960 0.000 0.000 0.216 420 G C 1.700 176.518 174.900 -0.136 0.000 1.171 420 G CA 0.880 45.789 45.100 -0.319 0.000 0.775 420 G HN 0.433 nan 8.290 nan 0.000 0.543 421 N N 1.441 120.046 118.700 -0.158 0.000 2.104 421 N HA -0.132 4.608 4.740 0.000 0.000 0.190 421 N C 2.523 177.860 175.510 -0.287 0.000 1.024 421 N CA 1.582 54.553 53.050 -0.133 0.000 0.853 421 N CB -0.362 38.112 38.487 -0.023 0.000 1.008 421 N HN 0.254 nan 8.380 nan 0.000 0.424 422 A N 1.356 123.824 122.820 -0.587 0.000 1.877 422 A HA -0.110 4.210 4.320 0.000 0.000 0.216 422 A C 2.344 179.678 177.584 -0.416 0.000 1.186 422 A CA 1.274 52.800 52.037 -0.853 0.000 0.620 422 A CB -0.503 18.081 19.000 -0.694 0.000 0.822 422 A HN 0.266 nan 8.150 nan 0.000 0.443 423 M N -0.540 118.817 119.600 -0.406 0.000 2.144 423 M HA -0.171 4.309 4.480 0.000 0.000 0.260 423 M C 2.061 178.165 176.300 -0.327 0.000 1.067 423 M CA 1.712 56.762 55.300 -0.416 0.000 1.095 423 M CB -1.415 30.894 32.600 -0.484 0.000 1.365 423 M HN 0.506 nan 8.290 nan 0.000 0.406 424 G N -0.927 107.692 108.800 -0.301 0.000 2.985 424 G HA2 0.055 4.015 3.960 0.000 0.000 0.209 424 G HA3 0.055 4.015 3.960 0.000 0.000 0.209 424 G C 0.362 175.104 174.900 -0.263 0.000 1.165 424 G CA 0.609 45.388 45.100 -0.534 0.000 0.776 424 G HN 0.547 nan 8.290 nan 0.000 0.541 425 S N -0.791 114.835 115.700 -0.124 0.000 2.605 425 S HA 0.233 4.703 4.470 0.000 0.000 0.142 425 S C 0.474 175.128 174.600 0.091 0.000 1.452 425 S CA -0.592 57.612 58.200 0.007 0.000 1.240 425 S CB 0.432 63.671 63.200 0.065 0.000 1.538 425 S HN 0.240 nan 8.310 nan 0.000 0.394 426 Q N 1.630 121.443 119.800 0.022 0.000 2.437 426 Q HA -0.093 4.247 4.340 0.000 0.000 0.210 426 Q C 1.359 177.398 176.000 0.065 0.000 0.972 426 Q CA 1.397 57.220 55.803 0.033 0.000 0.903 426 Q CB -0.134 28.608 28.738 0.007 0.000 0.967 426 Q HN 0.879 nan 8.270 nan 0.000 0.486 427 D N 0.171 120.603 120.400 0.054 0.000 2.323 427 D HA -0.073 4.567 4.640 0.000 0.000 0.209 427 D C 0.455 176.775 176.300 0.033 0.000 0.973 427 D CA 0.287 54.308 54.000 0.036 0.000 0.874 427 D CB 0.169 40.980 40.800 0.017 0.000 0.930 427 D HN 0.094 nan 8.370 nan 0.000 0.521 428 R N 0.114 120.644 120.500 0.050 0.000 2.549 428 R HA 0.381 4.721 4.340 0.000 0.000 0.267 428 R C -0.312 175.982 176.300 -0.010 0.000 1.045 428 R CA -0.689 55.392 56.100 -0.031 0.000 1.115 428 R CB 0.750 30.958 30.300 -0.155 0.000 1.121 428 R HN -0.063 nan 8.270 nan 0.000 0.543 429 Q N 1.185 120.938 119.800 -0.078 0.000 2.279 429 Q HA 0.184 4.524 4.340 0.000 0.000 0.256 429 Q C -1.186 174.731 176.000 -0.138 0.000 0.937 429 Q CA 0.199 55.988 55.803 -0.024 0.000 0.933 429 Q CB 0.979 29.717 28.738 -0.001 0.000 1.189 429 Q HN 0.375 nan 8.270 nan 0.000 0.417 430 H N 0.379 119.471 119.070 0.037 0.000 2.504 430 H HA 0.562 5.118 4.556 0.000 0.000 0.322 430 H C -0.949 174.420 175.328 0.068 0.000 1.055 430 H CA -0.510 55.563 56.048 0.042 0.000 1.231 430 H CB 0.978 30.757 29.762 0.028 0.000 1.417 430 H HN 0.285 nan 8.280 nan 0.000 0.472 431 V N 4.823 124.832 119.914 0.158 0.000 2.540 431 V HA 0.366 4.486 4.120 0.000 0.000 0.302 431 V C -0.526 175.683 176.094 0.191 0.000 1.035 431 V CA -0.789 61.628 62.300 0.194 0.000 0.873 431 V CB 2.020 33.970 31.823 0.212 0.000 0.992 431 V HN 0.475 nan 8.190 nan 0.000 0.428 432 V N 5.574 125.618 119.914 0.216 0.000 2.495 432 V HA 0.531 4.651 4.120 0.000 0.000 0.298 432 V C -0.200 176.035 176.094 0.236 0.000 1.031 432 V CA -0.511 61.895 62.300 0.178 0.000 0.871 432 V CB 1.907 33.805 31.823 0.125 0.000 0.988 432 V HN 0.830 nan 8.190 nan 0.000 0.432 433 M N 5.130 124.840 119.600 0.183 0.000 2.114 433 M HA 0.633 5.113 4.480 0.000 0.000 0.332 433 M C -1.090 175.286 176.300 0.126 0.000 1.014 433 M CA -0.557 54.840 55.300 0.161 0.000 0.956 433 M CB 1.853 34.519 32.600 0.111 0.000 1.551 433 M HN 0.460 nan 8.290 nan 0.000 0.427 434 V N 2.970 122.943 119.914 0.098 0.000 2.808 434 V HA 0.824 4.944 4.120 0.000 0.000 0.308 434 V C -0.099 175.999 176.094 0.007 0.000 1.099 434 V CA -0.300 62.047 62.300 0.078 0.000 0.920 434 V CB 2.206 34.115 31.823 0.144 0.000 1.014 434 V HN 0.925 nan 8.190 nan 0.000 0.425 435 G N 3.470 112.268 108.800 -0.002 0.000 2.572 435 G HA2 0.293 4.253 3.960 0.000 0.000 0.261 435 G HA3 0.293 4.253 3.960 0.000 0.000 0.261 435 G C 0.678 175.526 174.900 -0.086 0.000 1.197 435 G CA 0.420 45.491 45.100 -0.049 0.000 0.870 435 G HN 0.936 nan 8.290 nan 0.000 0.548 436 D N 0.203 120.499 120.400 -0.173 0.000 2.117 436 D HA -0.103 4.537 4.640 0.000 0.000 0.198 436 D C 2.210 178.467 176.300 -0.073 0.000 0.982 436 D CA 1.389 55.212 54.000 -0.295 0.000 0.828 436 D CB -0.961 39.637 40.800 -0.336 0.000 0.967 436 D HN 0.474 nan 8.370 nan 0.000 0.464 437 G N 0.375 109.199 108.800 0.040 0.000 2.421 437 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 437 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 437 G C 1.864 176.858 174.900 0.156 0.000 1.171 437 G CA 1.231 46.463 45.100 0.220 0.000 0.775 437 G HN 0.371 nan 8.290 nan 0.000 0.543 438 S N 0.281 116.032 115.700 0.086 0.000 2.383 438 S HA -0.073 4.398 4.470 0.000 0.000 0.227 438 S C 1.885 176.550 174.600 0.109 0.000 1.026 438 S CA 0.903 59.142 58.200 0.064 0.000 0.981 438 S CB -0.363 62.864 63.200 0.046 0.000 0.818 438 S HN 0.378 nan 8.310 nan 0.000 0.472 439 F N 2.553 122.484 119.950 -0.031 0.000 2.216 439 F HA -0.131 4.396 4.527 0.000 0.000 0.300 439 F C 2.337 178.164 175.800 0.046 0.000 1.085 439 F CA 1.339 59.343 58.000 0.006 0.000 1.326 439 F CB -0.366 38.609 39.000 -0.042 0.000 1.027 439 F HN 0.194 nan 8.300 nan 0.000 0.497 440 Q N -0.304 119.494 119.800 -0.004 0.000 2.291 440 Q HA -0.172 4.168 4.340 0.000 0.000 0.205 440 Q C 2.090 178.136 176.000 0.077 0.000 0.970 440 Q CA 1.239 56.972 55.803 -0.117 0.000 0.876 440 Q CB -0.229 28.325 28.738 -0.306 0.000 0.935 440 Q HN 0.410 nan 8.270 nan 0.000 0.455 441 L N -0.179 121.081 121.223 0.061 0.000 2.109 441 L HA -0.105 4.235 4.340 0.000 0.000 0.207 441 L C 2.059 178.984 176.870 0.092 0.000 1.086 441 L CA 1.787 56.691 54.840 0.108 0.000 0.760 441 L CB -0.062 42.077 42.059 0.133 0.000 0.910 441 L HN 0.288 nan 8.230 nan 0.000 0.437 442 T N -5.835 108.716 114.554 -0.005 0.000 3.209 442 T HA 0.366 4.716 4.350 0.000 0.000 0.295 442 T C 1.552 176.137 174.700 -0.192 0.000 0.977 442 T CA 0.226 62.302 62.100 -0.040 0.000 0.922 442 T CB 0.134 68.997 68.868 -0.008 0.000 1.152 442 T HN 0.062 nan 8.240 nan 0.000 0.527 443 A N 3.082 125.709 122.820 -0.322 0.000 1.940 443 A HA -0.274 4.046 4.320 0.000 0.000 0.221 443 A C 2.464 179.938 177.584 -0.185 0.000 1.190 443 A CA 2.178 53.875 52.037 -0.566 0.000 0.647 443 A CB -0.796 18.077 19.000 -0.212 0.000 0.821 443 A HN 0.737 nan 8.150 nan 0.000 0.457 444 Q N -0.729 119.024 119.800 -0.079 0.000 2.368 444 Q HA -0.213 4.127 4.340 0.000 0.000 0.210 444 Q C 1.238 176.981 176.000 -0.427 0.000 0.982 444 Q CA 1.851 57.528 55.803 -0.210 0.000 0.884 444 Q CB -0.422 28.267 28.738 -0.083 0.000 0.933 444 Q HN 0.640 nan 8.270 nan 0.000 0.460 445 E N 0.709 120.721 120.200 -0.313 0.000 2.482 445 E HA 0.005 4.355 4.350 0.000 0.000 0.196 445 E C 1.739 178.096 176.600 -0.405 0.000 1.047 445 E CA 0.213 56.393 56.400 -0.367 0.000 0.869 445 E CB 0.068 29.605 29.700 -0.271 0.000 0.836 445 E HN 0.219 nan 8.360 nan 0.000 0.520 446 V N 0.224 119.950 119.914 -0.313 0.000 2.626 446 V HA -0.231 3.889 4.120 0.000 0.000 0.252 446 V C 2.171 178.080 176.094 -0.309 0.000 1.067 446 V CA 1.545 63.756 62.300 -0.148 0.000 1.081 446 V CB -0.660 31.282 31.823 0.198 0.000 0.686 446 V HN 0.374 nan 8.190 nan 0.000 0.468 447 A N -0.624 121.743 122.820 -0.754 0.000 1.969 447 A HA -0.198 4.123 4.320 0.000 0.000 0.218 447 A C 2.201 179.586 177.584 -0.333 0.000 1.169 447 A CA 1.290 52.934 52.037 -0.654 0.000 0.635 447 A CB -0.312 18.135 19.000 -0.921 0.000 0.810 447 A HN 0.509 nan 8.150 nan 0.000 0.445 448 Q N -0.449 119.115 119.800 -0.394 0.000 2.079 448 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 448 Q C 2.117 178.082 176.000 -0.060 0.000 0.974 448 Q CA 1.560 57.168 55.803 -0.325 0.000 0.840 448 Q CB -0.590 27.657 28.738 -0.818 0.000 0.898 448 Q HN 0.784 nan 8.270 nan 0.000 0.430 449 M N -0.170 119.373 119.600 -0.095 0.000 2.108 449 M HA -0.167 4.313 4.480 0.000 0.000 0.261 449 M C 2.228 178.622 176.300 0.156 0.000 1.066 449 M CA 1.173 56.590 55.300 0.194 0.000 1.107 449 M CB -0.394 32.298 32.600 0.153 0.000 1.356 449 M HN -0.024 nan 8.290 nan 0.000 0.406 450 V N 0.110 120.061 119.914 0.063 0.000 2.261 450 V HA -0.282 3.838 4.120 0.000 0.000 0.246 450 V C 2.409 178.522 176.094 0.031 0.000 1.047 450 V CA 2.120 64.460 62.300 0.066 0.000 1.015 450 V CB -0.830 31.029 31.823 0.060 0.000 0.642 450 V HN 0.478 nan 8.190 nan 0.000 0.446 451 R N -0.663 119.802 120.500 -0.059 0.000 2.096 451 R HA -0.216 4.124 4.340 0.000 0.000 0.240 451 R C 1.980 178.130 176.300 -0.250 0.000 1.139 451 R CA 2.215 58.188 56.100 -0.211 0.000 0.952 451 R CB -0.286 29.780 30.300 -0.389 0.000 0.854 451 R HN 0.562 nan 8.270 nan 0.000 0.436 452 Y N 0.920 121.294 120.300 0.124 0.000 2.461 452 Y HA 0.193 4.743 4.550 0.000 0.000 0.277 452 Y C -0.180 175.786 175.900 0.110 0.000 1.182 452 Y CA 0.091 58.270 58.100 0.132 0.000 1.276 452 Y CB 0.213 38.788 38.460 0.192 0.000 1.087 452 Y HN 0.174 nan 8.280 nan 0.000 0.519 453 E N 0.297 120.617 120.200 0.199 0.000 2.271 453 E HA -0.232 4.118 4.350 0.000 0.000 0.223 453 E C -0.943 175.745 176.600 0.146 0.000 1.223 453 E CA 0.175 56.670 56.400 0.158 0.000 0.704 453 E CB -1.864 27.915 29.700 0.130 0.000 1.194 453 E HN 0.431 nan 8.360 nan 0.000 0.375 454 L N 1.510 122.833 121.223 0.167 0.000 2.257 454 L HA 0.299 4.639 4.340 0.000 0.000 0.290 454 L C -1.562 175.375 176.870 0.110 0.000 1.044 454 L CA -2.005 52.912 54.840 0.128 0.000 0.810 454 L CB 0.659 42.803 42.059 0.142 0.000 1.193 454 L HN -0.105 nan 8.230 nan 0.000 0.425 455 P HA 0.068 nan 4.420 nan 0.000 0.225 455 P C -0.219 177.136 177.300 0.093 0.000 1.768 455 P CA -0.071 63.079 63.100 0.084 0.000 0.943 455 P CB 0.043 31.785 31.700 0.070 0.000 1.936 456 V N 2.818 122.791 119.914 0.098 0.000 2.530 456 V HA 0.139 4.259 4.120 0.000 0.000 0.282 456 V C 1.061 177.195 176.094 0.068 0.000 1.048 456 V CA -0.304 62.061 62.300 0.108 0.000 0.997 456 V CB 0.885 32.773 31.823 0.107 0.000 0.987 456 V HN 0.206 nan 8.190 nan 0.000 0.477 457 I N 6.156 126.760 120.570 0.056 0.000 2.304 457 I HA 0.377 4.548 4.170 0.000 0.000 0.291 457 I C -0.231 175.843 176.117 -0.072 0.000 1.018 457 I CA 0.039 61.308 61.300 -0.052 0.000 1.260 457 I CB 0.827 38.786 38.000 -0.069 0.000 1.390 457 I HN 0.433 nan 8.210 nan 0.000 0.475 458 I N 6.697 127.182 120.570 -0.143 0.000 2.330 458 I HA 0.258 4.428 4.170 0.000 0.000 0.289 458 I C -0.656 175.317 176.117 -0.240 0.000 1.001 458 I CA -0.366 60.888 61.300 -0.077 0.000 1.193 458 I CB 0.723 38.729 38.000 0.009 0.000 1.345 458 I HN 0.352 nan 8.210 nan 0.000 0.461 459 F N 6.899 126.846 119.950 -0.004 0.000 2.368 459 F HA 0.234 4.761 4.527 0.000 0.000 0.362 459 F C 0.160 175.909 175.800 -0.085 0.000 1.137 459 F CA -0.418 57.561 58.000 -0.035 0.000 1.161 459 F CB 0.683 39.677 39.000 -0.011 0.000 1.265 459 F HN 0.295 nan 8.300 nan 0.000 0.530 460 L N 6.289 127.481 121.223 -0.052 0.000 2.261 460 L HA 0.344 4.684 4.340 0.000 0.000 0.289 460 L C -0.480 176.294 176.870 -0.159 0.000 1.059 460 L CA -0.338 54.374 54.840 -0.213 0.000 0.816 460 L CB 0.338 42.112 42.059 -0.474 0.000 1.191 460 L HN 0.363 nan 8.230 nan 0.000 0.431 461 I N 5.211 125.707 120.570 -0.123 0.000 2.260 461 I HA 0.098 4.268 4.170 0.000 0.000 0.297 461 I C 0.508 176.537 176.117 -0.148 0.000 1.143 461 I CA -0.183 61.064 61.300 -0.087 0.000 1.271 461 I CB -0.381 37.597 38.000 -0.037 0.000 1.461 461 I HN 0.526 nan 8.210 nan 0.000 0.530 462 N N 5.960 124.569 118.700 -0.153 0.000 2.555 462 N HA 0.048 4.788 4.740 0.000 0.000 0.244 462 N C 0.552 176.034 175.510 -0.047 0.000 1.114 462 N CA -0.123 52.845 53.050 -0.137 0.000 0.963 462 N CB 0.190 38.625 38.487 -0.086 0.000 1.276 462 N HN 0.448 nan 8.380 nan 0.000 0.510 463 N N 2.235 120.909 118.700 -0.043 0.000 2.204 463 N HA 0.110 4.850 4.740 0.000 0.000 0.219 463 N C -0.514 174.995 175.510 -0.002 0.000 1.151 463 N CA -0.267 52.773 53.050 -0.016 0.000 0.867 463 N CB 0.269 38.744 38.487 -0.019 0.000 1.043 463 N HN 0.222 nan 8.380 nan 0.000 0.516 464 R N -0.494 120.007 120.500 0.003 0.000 3.418 464 R HA -0.056 4.284 4.340 0.000 0.000 0.274 464 R C 0.273 176.560 176.300 -0.022 0.000 1.108 464 R CA 0.839 56.952 56.100 0.022 0.000 0.741 464 R CB -2.261 28.073 30.300 0.058 0.000 1.223 464 R HN 0.736 nan 8.270 nan 0.000 0.434 465 G N -1.148 107.597 108.800 -0.092 0.000 2.369 465 G HA2 0.103 4.063 3.960 0.000 0.000 0.293 465 G HA3 0.103 4.063 3.960 0.000 0.000 0.293 465 G C -1.443 173.387 174.900 -0.116 0.000 1.301 465 G CA -0.892 44.067 45.100 -0.235 0.000 0.913 465 G HN 0.014 nan 8.290 nan 0.000 0.540 466 Y N 1.413 121.602 120.300 -0.186 0.000 2.570 466 Y HA 0.357 4.907 4.550 0.000 0.000 0.336 466 Y C 1.983 177.796 175.900 -0.145 0.000 1.284 466 Y CA -0.720 57.296 58.100 -0.141 0.000 1.761 466 Y CB -0.037 38.358 38.460 -0.109 0.000 1.724 466 Y HN 0.306 nan 8.280 nan 0.000 0.455 467 V N 2.264 122.190 119.914 0.021 0.000 2.358 467 V HA -0.314 3.806 4.120 0.000 0.000 0.246 467 V C 2.327 178.417 176.094 -0.007 0.000 1.047 467 V CA 1.766 64.053 62.300 -0.021 0.000 1.035 467 V CB -0.474 31.335 31.823 -0.024 0.000 0.658 467 V HN 0.745 nan 8.190 nan 0.000 0.452 468 I N -0.226 120.344 120.570 0.000 0.000 2.502 468 I HA -0.288 3.882 4.170 0.000 0.000 0.258 468 I C 2.274 178.413 176.117 0.037 0.000 1.172 468 I CA 1.746 63.052 61.300 0.010 0.000 1.430 468 I CB 0.165 38.164 38.000 -0.001 0.000 1.086 468 I HN 0.330 nan 8.210 nan 0.000 0.440 469 E N 0.402 120.629 120.200 0.046 0.000 2.201 469 E HA 0.063 4.413 4.350 0.000 0.000 0.193 469 E C 1.949 178.597 176.600 0.079 0.000 0.957 469 E CA 0.567 57.018 56.400 0.086 0.000 0.858 469 E CB -0.058 29.720 29.700 0.130 0.000 0.816 469 E HN 0.486 nan 8.360 nan 0.000 0.475 470 I N 0.582 121.159 120.570 0.012 0.000 2.264 470 I HA -0.274 3.897 4.170 0.000 0.000 0.248 470 I C 2.163 178.281 176.117 0.001 0.000 1.111 470 I CA 1.243 62.526 61.300 -0.028 0.000 1.382 470 I CB -0.232 37.709 38.000 -0.098 0.000 1.060 470 I HN 0.111 nan 8.210 nan 0.000 0.418 471 A N 0.074 122.892 122.820 -0.003 0.000 2.015 471 A HA -0.094 4.226 4.320 0.000 0.000 0.219 471 A C 2.050 179.632 177.584 -0.004 0.000 1.163 471 A CA 1.489 53.519 52.037 -0.013 0.000 0.646 471 A CB -0.288 18.691 19.000 -0.035 0.000 0.806 471 A HN 0.324 nan 8.150 nan 0.000 0.448 472 I N -2.736 117.849 120.570 0.026 0.000 3.194 472 I HA 0.171 4.341 4.170 0.000 0.000 0.271 472 I C 0.573 176.754 176.117 0.107 0.000 1.150 472 I CA 0.670 61.995 61.300 0.041 0.000 1.440 472 I CB -0.064 37.957 38.000 0.035 0.000 1.276 472 I HN 0.457 nan 8.210 nan 0.000 0.457 473 H N -0.025 119.066 119.070 0.035 0.000 3.059 473 H HA 0.301 4.857 4.556 0.000 0.000 0.302 473 H C -1.282 174.119 175.328 0.121 0.000 1.264 473 H CA -0.586 55.505 56.048 0.072 0.000 1.615 473 H CB 0.302 30.112 29.762 0.079 0.000 1.795 473 H HN -0.081 nan 8.280 nan 0.000 0.556 474 D N 2.380 122.745 120.400 -0.059 0.000 2.255 474 D HA 0.587 5.227 4.640 0.000 0.000 0.249 474 D C 0.250 176.472 176.300 -0.129 0.000 1.078 474 D CA 0.659 54.642 54.000 -0.028 0.000 0.896 474 D CB 1.323 42.115 40.800 -0.013 0.000 1.194 474 D HN 0.747 nan 8.370 nan 0.000 0.429 475 G N 1.836 110.439 108.800 -0.328 0.000 2.576 475 G HA2 0.297 4.257 3.960 0.000 0.000 0.290 475 G HA3 0.297 4.257 3.960 0.000 0.000 0.290 475 G C -2.304 172.183 174.900 -0.687 0.000 1.442 475 G CA -0.911 43.755 45.100 -0.724 0.000 0.792 475 G HN 0.262 nan 8.290 nan 0.000 0.491 476 P HA -0.129 nan 4.420 nan 0.000 0.221 476 P C 1.127 178.417 177.300 -0.018 0.000 1.145 476 P CA 1.221 64.257 63.100 -0.105 0.000 0.795 476 P CB -0.169 31.489 31.700 -0.071 0.000 0.775 477 Y N -1.332 119.057 120.300 0.149 0.000 2.616 477 Y HA 0.117 4.667 4.550 0.000 0.000 0.296 477 Y C 1.575 177.509 175.900 0.056 0.000 1.154 477 Y CA -0.012 58.154 58.100 0.111 0.000 1.325 477 Y CB -2.000 36.532 38.460 0.120 0.000 1.007 477 Y HN -0.101 nan 8.280 nan 0.000 0.542 478 N N -0.532 118.165 118.700 -0.004 0.000 2.336 478 N HA 0.007 4.748 4.740 0.000 0.000 0.189 478 N C -1.113 173.951 175.510 -0.745 0.000 1.113 478 N CA 0.206 53.092 53.050 -0.272 0.000 0.858 478 N CB -0.073 38.183 38.487 -0.385 0.000 0.970 478 N HN 0.388 nan 8.380 nan 0.000 0.471 479 Y N 0.927 121.092 120.300 -0.225 0.000 2.328 479 Y HA 0.457 5.007 4.550 0.000 0.000 0.337 479 Y C 0.607 176.377 175.900 -0.217 0.000 0.966 479 Y CA -1.148 56.824 58.100 -0.212 0.000 1.136 479 Y CB 0.923 39.305 38.460 -0.130 0.000 1.170 479 Y HN -0.130 nan 8.280 nan 0.000 0.470 480 I N -0.500 119.991 120.570 -0.131 0.000 2.910 480 I HA 0.678 4.848 4.170 0.000 0.000 0.310 480 I C -0.546 175.562 176.117 -0.016 0.000 1.043 480 I CA -1.706 59.522 61.300 -0.119 0.000 1.053 480 I CB 1.645 39.499 38.000 -0.243 0.000 1.242 480 I HN 0.241 nan 8.210 nan 0.000 0.452 481 K N 3.121 123.541 120.400 0.033 0.000 2.412 481 K HA 0.087 4.407 4.320 0.000 0.000 0.284 481 K C -0.272 176.381 176.600 0.089 0.000 1.046 481 K CA 0.320 56.666 56.287 0.100 0.000 0.999 481 K CB 0.069 32.682 32.500 0.189 0.000 0.941 481 K HN 0.690 nan 8.250 nan 0.000 0.474 482 N N 3.515 122.276 118.700 0.101 0.000 2.479 482 N HA 0.139 4.879 4.740 0.000 0.000 0.257 482 N C -1.157 174.462 175.510 0.181 0.000 1.232 482 N CA -0.003 53.106 53.050 0.099 0.000 0.920 482 N CB 0.338 38.885 38.487 0.100 0.000 1.105 482 N HN 0.343 nan 8.380 nan 0.000 0.444 483 W N 0.373 121.423 121.300 -0.415 0.000 2.736 483 W HA 0.260 4.920 4.660 0.000 0.000 0.355 483 W C -0.164 175.993 176.519 -0.602 0.000 1.102 483 W CA -0.835 56.135 57.345 -0.625 0.000 1.164 483 W CB 0.183 29.079 29.460 -0.940 0.000 1.422 483 W HN 0.425 nan 8.180 nan 0.000 0.572 484 D N 0.774 121.089 120.400 -0.142 0.000 2.517 484 D HA 0.073 4.713 4.640 0.000 0.000 0.220 484 D C 0.628 176.890 176.300 -0.062 0.000 1.158 484 D CA -0.054 53.896 54.000 -0.083 0.000 0.992 484 D CB -0.172 40.592 40.800 -0.060 0.000 1.058 484 D HN 0.178 nan 8.370 nan 0.000 0.516 485 Y N 2.041 122.416 120.300 0.125 0.000 2.224 485 Y HA -0.124 4.426 4.550 0.000 0.000 0.289 485 Y C 2.487 178.391 175.900 0.007 0.000 1.146 485 Y CA 1.164 59.317 58.100 0.088 0.000 1.182 485 Y CB -0.453 37.971 38.460 -0.061 0.000 0.983 485 Y HN 0.480 nan 8.280 nan 0.000 0.524 486 A N 0.317 123.215 122.820 0.130 0.000 1.902 486 A HA -0.122 4.198 4.320 0.000 0.000 0.217 486 A C 2.548 180.143 177.584 0.018 0.000 1.181 486 A CA 1.748 53.817 52.037 0.053 0.000 0.623 486 A CB -1.485 17.537 19.000 0.036 0.000 0.818 486 A HN 0.471 nan 8.150 nan 0.000 0.443 487 G N -0.739 108.058 108.800 -0.005 0.000 2.509 487 G HA2 -0.037 3.923 3.960 0.000 0.000 0.218 487 G HA3 -0.037 3.923 3.960 0.000 0.000 0.218 487 G C 1.330 176.168 174.900 -0.104 0.000 1.124 487 G CA 0.952 46.021 45.100 -0.051 0.000 0.776 487 G HN 0.444 nan 8.290 nan 0.000 0.547 488 L N 0.194 121.355 121.223 -0.103 0.000 2.275 488 L HA 0.117 4.457 4.340 0.000 0.000 0.215 488 L C 2.575 179.242 176.870 -0.339 0.000 1.119 488 L CA 1.123 55.810 54.840 -0.255 0.000 0.790 488 L CB -0.234 41.763 42.059 -0.103 0.000 0.919 488 L HN 0.081 nan 8.230 nan 0.000 0.443 489 M N -1.018 118.526 119.600 -0.093 0.000 2.086 489 M HA -0.155 4.325 4.480 0.000 0.000 0.261 489 M C 2.110 178.397 176.300 -0.022 0.000 1.067 489 M CA 1.383 56.690 55.300 0.011 0.000 1.116 489 M CB -1.037 31.602 32.600 0.065 0.000 1.348 489 M HN 0.219 nan 8.290 nan 0.000 0.407 490 E N 0.072 120.237 120.200 -0.058 0.000 2.160 490 E HA -0.116 4.235 4.350 0.000 0.000 0.195 490 E C 2.256 178.807 176.600 -0.083 0.000 0.991 490 E CA 0.920 57.287 56.400 -0.054 0.000 0.810 490 E CB -0.463 29.205 29.700 -0.055 0.000 0.742 490 E HN 0.302 nan 8.360 nan 0.000 0.466 491 V N 0.758 120.562 119.914 -0.183 0.000 2.295 491 V HA -0.242 3.878 4.120 0.000 0.000 0.246 491 V C 2.063 178.100 176.094 -0.096 0.000 1.049 491 V CA 1.647 63.816 62.300 -0.219 0.000 1.024 491 V CB -0.568 31.020 31.823 -0.393 0.000 0.648 491 V HN 0.135 nan 8.190 nan 0.000 0.447 492 F N 0.532 120.477 119.950 -0.007 0.000 2.325 492 F HA -0.015 4.512 4.527 0.000 0.000 0.299 492 F C 2.258 178.044 175.800 -0.023 0.000 1.090 492 F CA 0.495 58.489 58.000 -0.010 0.000 1.392 492 F CB -1.137 37.869 39.000 0.011 0.000 1.053 492 F HN 0.207 nan 8.300 nan 0.000 0.521 493 N N 0.743 119.520 118.700 0.128 0.000 2.106 493 N HA -0.082 4.658 4.740 0.000 0.000 0.188 493 N C 1.463 176.977 175.510 0.007 0.000 1.029 493 N CA 1.415 54.489 53.050 0.040 0.000 0.848 493 N CB -0.672 37.814 38.487 -0.003 0.000 1.007 493 N HN 0.101 nan 8.380 nan 0.000 0.423 494 A N -0.482 122.340 122.820 0.002 0.000 2.748 494 A HA -0.096 4.224 4.320 0.000 0.000 0.297 494 A C 1.354 178.922 177.584 -0.027 0.000 1.508 494 A CA 1.818 53.848 52.037 -0.011 0.000 0.799 494 A CB -1.960 17.043 19.000 0.004 0.000 1.011 494 A HN 0.899 nan 8.150 nan 0.000 0.500 495 G N -2.271 106.505 108.800 -0.040 0.000 2.184 495 G HA2 -0.353 3.607 3.960 0.000 0.000 0.264 495 G HA3 -0.353 3.607 3.960 0.000 0.000 0.264 495 G C 0.588 175.442 174.900 -0.075 0.000 0.975 495 G CA 1.468 46.537 45.100 -0.052 0.000 0.642 495 G HN 0.883 nan 8.290 nan 0.000 0.536 496 E N -0.057 120.094 120.200 -0.082 0.000 2.110 496 E HA 0.304 4.654 4.350 0.000 0.000 0.194 496 E C 2.008 178.484 176.600 -0.207 0.000 0.944 496 E CA 0.178 56.515 56.400 -0.104 0.000 0.899 496 E CB -0.032 29.632 29.700 -0.059 0.000 0.907 496 E HN 0.433 nan 8.360 nan 0.000 0.473 497 G N -0.269 108.437 108.800 -0.156 0.000 2.653 497 G HA2 0.006 3.966 3.960 0.000 0.000 0.265 497 G HA3 0.006 3.966 3.960 0.000 0.000 0.265 497 G C -0.503 174.203 174.900 -0.323 0.000 1.237 497 G CA -0.153 44.848 45.100 -0.164 0.000 0.946 497 G HN 0.309 nan 8.290 nan 0.000 0.522 498 H N -1.196 117.899 119.070 0.042 0.000 2.467 498 H HA 0.360 4.916 4.556 0.000 0.000 0.275 498 H C 1.272 176.629 175.328 0.049 0.000 1.131 498 H CA 0.058 56.130 56.048 0.040 0.000 0.989 498 H CB 0.472 30.256 29.762 0.036 0.000 1.696 498 H HN 0.600 nan 8.280 nan 0.000 0.574 499 G N 0.638 109.510 108.800 0.119 0.000 2.483 499 G HA2 0.369 4.329 3.960 0.000 0.000 0.248 499 G HA3 0.369 4.329 3.960 0.000 0.000 0.248 499 G C -0.548 174.402 174.900 0.084 0.000 1.248 499 G CA -0.419 44.749 45.100 0.112 0.000 0.838 499 G HN 0.265 nan 8.290 nan 0.000 0.566 500 L N 1.184 122.449 121.223 0.071 0.000 2.365 500 L HA 0.658 4.999 4.340 0.000 0.000 0.273 500 L C 0.453 177.342 176.870 0.032 0.000 1.000 500 L CA -0.875 53.992 54.840 0.044 0.000 0.819 500 L CB 2.246 44.325 42.059 0.033 0.000 1.284 500 L HN 0.658 nan 8.230 nan 0.000 0.418 501 G N 4.822 113.635 108.800 0.021 0.000 2.487 501 G HA2 0.680 4.640 3.960 0.000 0.000 0.314 501 G HA3 0.680 4.640 3.960 0.000 0.000 0.314 501 G C -1.245 173.656 174.900 0.002 0.000 1.267 501 G CA -0.306 44.802 45.100 0.013 0.000 0.937 501 G HN 0.385 nan 8.290 nan 0.000 0.481 502 L N 1.389 122.607 121.223 -0.009 0.000 2.388 502 L HA 0.563 4.903 4.340 0.000 0.000 0.264 502 L C -0.059 176.807 176.870 -0.006 0.000 0.998 502 L CA -1.010 53.825 54.840 -0.008 0.000 0.817 502 L CB 2.879 44.928 42.059 -0.016 0.000 1.338 502 L HN 0.295 nan 8.230 nan 0.000 0.414 503 K N 1.557 121.960 120.400 0.005 0.000 2.185 503 K HA 0.748 5.068 4.320 0.000 0.000 0.269 503 K C -0.775 175.829 176.600 0.007 0.000 0.987 503 K CA -0.519 55.775 56.287 0.011 0.000 0.865 503 K CB 2.031 34.543 32.500 0.019 0.000 1.090 503 K HN 0.662 nan 8.250 nan 0.000 0.450 504 A N 2.091 124.915 122.820 0.007 0.000 2.304 504 A HA 0.365 4.685 4.320 0.000 0.000 0.314 504 A C 0.303 177.886 177.584 -0.001 0.000 1.187 504 A CA -0.393 51.645 52.037 0.003 0.000 0.810 504 A CB 1.348 20.353 19.000 0.008 0.000 1.183 504 A HN 0.715 nan 8.150 nan 0.000 0.487 505 T N 0.690 115.242 114.554 -0.004 0.000 2.958 505 T HA 0.239 4.589 4.350 0.000 0.000 0.256 505 T C 0.622 175.317 174.700 -0.009 0.000 0.983 505 T CA 1.296 63.394 62.100 -0.002 0.000 0.924 505 T CB 0.053 68.924 68.868 0.006 0.000 1.136 505 T HN 1.018 nan 8.240 nan 0.000 0.506 506 T N -1.254 113.291 114.554 -0.015 0.000 2.883 506 T HA 0.518 4.869 4.350 0.000 0.000 0.296 506 T C -2.545 172.129 174.700 -0.043 0.000 1.117 506 T CA -1.605 60.485 62.100 -0.017 0.000 1.006 506 T CB 1.717 70.584 68.868 -0.001 0.000 1.191 506 T HN -0.355 nan 8.240 nan 0.000 0.508 507 P HA -0.043 nan 4.420 nan 0.000 0.218 507 P C 1.485 178.788 177.300 0.005 0.000 1.148 507 P CA 0.878 63.931 63.100 -0.079 0.000 0.822 507 P CB 0.152 31.875 31.700 0.038 0.000 0.784 508 K N 0.381 120.805 120.400 0.039 0.000 2.057 508 K HA -0.203 4.117 4.320 0.000 0.000 0.207 508 K C 2.071 178.696 176.600 0.041 0.000 1.049 508 K CA 1.518 57.840 56.287 0.058 0.000 0.931 508 K CB -0.280 32.246 32.500 0.043 0.000 0.714 508 K HN 0.068 nan 8.250 nan 0.000 0.440 509 E N 0.306 120.515 120.200 0.015 0.000 2.150 509 E HA -0.174 4.176 4.350 0.000 0.000 0.193 509 E C 1.959 178.565 176.600 0.010 0.000 0.985 509 E CA 0.574 56.981 56.400 0.012 0.000 0.814 509 E CB 0.067 29.769 29.700 0.004 0.000 0.752 509 E HN 0.168 nan 8.360 nan 0.000 0.466 510 L N 0.115 121.323 121.223 -0.025 0.000 2.109 510 L HA -0.079 4.261 4.340 0.000 0.000 0.207 510 L C 2.341 179.251 176.870 0.066 0.000 1.086 510 L CA 1.744 56.566 54.840 -0.031 0.000 0.760 510 L CB -0.683 41.250 42.059 -0.209 0.000 0.910 510 L HN 0.010 nan 8.230 nan 0.000 0.437 511 T N -0.911 113.715 114.554 0.119 0.000 2.746 511 T HA -0.190 4.160 4.350 0.000 0.000 0.267 511 T C 1.737 176.517 174.700 0.132 0.000 1.039 511 T CA 1.817 64.055 62.100 0.229 0.000 1.142 511 T CB -0.061 68.962 68.868 0.258 0.000 0.866 511 T HN 0.467 nan 8.240 nan 0.000 0.444 512 E N 0.312 120.564 120.200 0.087 0.000 2.106 512 E HA 0.008 4.359 4.350 0.000 0.000 0.192 512 E C 2.425 179.056 176.600 0.053 0.000 0.984 512 E CA 0.960 57.396 56.400 0.060 0.000 0.806 512 E CB -0.193 29.533 29.700 0.043 0.000 0.750 512 E HN 0.508 nan 8.360 nan 0.000 0.458 513 A N 0.793 123.644 122.820 0.051 0.000 1.933 513 A HA -0.158 4.162 4.320 0.000 0.000 0.218 513 A C 2.127 179.731 177.584 0.033 0.000 1.175 513 A CA 1.029 53.084 52.037 0.029 0.000 0.628 513 A CB -0.495 18.514 19.000 0.015 0.000 0.814 513 A HN 0.160 nan 8.150 nan 0.000 0.444 514 I N -0.351 120.272 120.570 0.088 0.000 2.315 514 I HA -0.227 3.943 4.170 0.000 0.000 0.248 514 I C 2.923 179.088 176.117 0.079 0.000 1.117 514 I CA 0.844 62.211 61.300 0.112 0.000 1.404 514 I CB -0.276 37.859 38.000 0.225 0.000 1.071 514 I HN 0.348 nan 8.210 nan 0.000 0.419 515 A N 0.955 123.819 122.820 0.073 0.000 1.908 515 A HA -0.193 4.127 4.320 0.000 0.000 0.218 515 A C 2.408 180.015 177.584 0.038 0.000 1.181 515 A CA 1.384 53.453 52.037 0.054 0.000 0.627 515 A CB -0.457 18.573 19.000 0.050 0.000 0.818 515 A HN 0.258 nan 8.150 nan 0.000 0.445 516 R N -0.524 119.995 120.500 0.032 0.000 2.081 516 R HA -0.077 4.263 4.340 0.000 0.000 0.235 516 R C 2.470 178.781 176.300 0.018 0.000 1.131 516 R CA 1.325 57.439 56.100 0.023 0.000 0.960 516 R CB -0.862 29.449 30.300 0.018 0.000 0.856 516 R HN 0.536 nan 8.270 nan 0.000 0.436 517 A N 1.768 124.593 122.820 0.009 0.000 1.877 517 A HA -0.181 4.139 4.320 0.000 0.000 0.216 517 A C 2.068 179.662 177.584 0.018 0.000 1.186 517 A CA 1.474 53.509 52.037 -0.004 0.000 0.620 517 A CB -0.310 18.663 19.000 -0.045 0.000 0.822 517 A HN 0.236 nan 8.150 nan 0.000 0.443 518 K N -0.289 120.129 120.400 0.031 0.000 2.147 518 K HA -0.045 4.275 4.320 0.000 0.000 0.205 518 K C 2.026 178.643 176.600 0.029 0.000 1.049 518 K CA 1.096 57.404 56.287 0.036 0.000 0.936 518 K CB -0.269 32.256 32.500 0.042 0.000 0.722 518 K HN 0.450 nan 8.250 nan 0.000 0.446 519 A N 1.261 124.096 122.820 0.025 0.000 2.119 519 A HA -0.056 4.265 4.320 0.000 0.000 0.216 519 A C 0.820 178.415 177.584 0.019 0.000 1.152 519 A CA 0.384 52.434 52.037 0.021 0.000 0.708 519 A CB -0.219 18.793 19.000 0.021 0.000 0.805 519 A HN 0.171 nan 8.150 nan 0.000 0.460 520 N N 0.896 119.610 118.700 0.023 0.000 2.555 520 N HA 0.134 4.874 4.740 0.000 0.000 0.244 520 N C 0.995 176.521 175.510 0.027 0.000 1.114 520 N CA 0.736 53.803 53.050 0.028 0.000 0.963 520 N CB 0.513 39.023 38.487 0.039 0.000 1.276 520 N HN 0.274 nan 8.380 nan 0.000 0.510 521 T N -0.169 114.390 114.554 0.008 0.000 3.065 521 T HA 0.154 4.504 4.350 0.000 0.000 0.252 521 T C 1.139 175.842 174.700 0.006 0.000 1.099 521 T CA 0.451 62.556 62.100 0.008 0.000 1.063 521 T CB 0.110 68.975 68.868 -0.005 0.000 0.948 521 T HN 0.344 nan 8.240 nan 0.000 0.506 522 R N 0.470 120.966 120.500 -0.008 0.000 2.577 522 R HA 0.522 4.862 4.340 0.000 0.000 0.344 522 R C 0.423 176.782 176.300 0.098 0.000 1.037 522 R CA -0.229 55.868 56.100 -0.005 0.000 1.102 522 R CB 1.254 31.447 30.300 -0.178 0.000 1.313 522 R HN 0.473 nan 8.270 nan 0.000 0.561 523 G N 1.097 109.961 108.800 0.107 0.000 2.547 523 G HA2 0.247 4.207 3.960 0.000 0.000 0.291 523 G HA3 0.247 4.207 3.960 0.000 0.000 0.291 523 G C -3.196 171.769 174.900 0.107 0.000 1.471 523 G CA -0.955 44.225 45.100 0.133 0.000 0.798 523 G HN -0.269 nan 8.290 nan 0.000 0.504 524 P HA 0.346 nan 4.420 nan 0.000 0.274 524 P C -0.499 176.844 177.300 0.071 0.000 1.231 524 P CA 0.122 63.279 63.100 0.095 0.000 0.790 524 P CB 1.194 32.964 31.700 0.118 0.000 0.951 525 T N 2.767 117.338 114.554 0.028 0.000 2.815 525 T HA 0.392 4.742 4.350 0.000 0.000 0.289 525 T C -0.142 174.516 174.700 -0.069 0.000 1.000 525 T CA -0.433 61.658 62.100 -0.015 0.000 0.958 525 T CB 0.532 69.373 68.868 -0.044 0.000 0.944 525 T HN 0.287 nan 8.240 nan 0.000 0.442 526 L N 4.970 126.168 121.223 -0.041 0.000 2.264 526 L HA 0.599 4.939 4.340 0.000 0.000 0.289 526 L C -0.915 175.879 176.870 -0.126 0.000 1.044 526 L CA -0.717 54.072 54.840 -0.086 0.000 0.807 526 L CB 0.302 42.347 42.059 -0.023 0.000 1.192 526 L HN 0.641 nan 8.230 nan 0.000 0.425 527 I N 5.136 125.577 120.570 -0.215 0.000 2.330 527 I HA 0.208 4.378 4.170 0.000 0.000 0.286 527 I C 0.147 176.201 176.117 -0.104 0.000 1.025 527 I CA -0.288 60.912 61.300 -0.167 0.000 1.197 527 I CB 1.334 39.182 38.000 -0.253 0.000 1.358 527 I HN 0.602 nan 8.210 nan 0.000 0.467 528 E N 6.354 126.518 120.200 -0.060 0.000 2.029 528 E HA 0.147 4.497 4.350 0.000 0.000 0.276 528 E C -1.003 175.589 176.600 -0.014 0.000 1.163 528 E CA -0.497 55.875 56.400 -0.046 0.000 0.909 528 E CB 0.444 30.163 29.700 0.032 0.000 1.046 528 E HN 0.621 nan 8.360 nan 0.000 0.406 529 C N 5.061 124.354 119.300 -0.012 0.000 2.373 529 C HA 0.214 4.674 4.460 0.000 0.000 0.354 529 C C 0.285 175.270 174.990 -0.009 0.000 1.249 529 C CA -0.654 58.371 59.018 0.011 0.000 1.784 529 C CB -0.088 27.680 27.740 0.048 0.000 2.408 529 C HN 0.684 nan 8.230 nan 0.000 0.542 530 Q N 3.203 123.003 119.800 0.001 0.000 2.360 530 Q HA 0.650 4.990 4.340 0.000 0.000 0.254 530 Q C -0.168 175.831 176.000 -0.001 0.000 0.975 530 Q CA 0.138 55.943 55.803 0.004 0.000 0.912 530 Q CB 0.892 29.641 28.738 0.019 0.000 1.212 530 Q HN 0.834 nan 8.270 nan 0.000 0.452 531 I N -1.999 118.569 120.570 -0.005 0.000 3.002 531 I HA 0.585 4.755 4.170 0.000 0.000 0.310 531 I C -0.522 175.595 176.117 -0.000 0.000 1.087 531 I CA -1.353 59.944 61.300 -0.005 0.000 1.017 531 I CB 1.940 39.934 38.000 -0.010 0.000 1.226 531 I HN 0.260 nan 8.210 nan 0.000 0.443 532 D N 1.566 121.966 120.400 0.001 0.000 2.372 532 D HA 0.110 4.750 4.640 0.000 0.000 0.243 532 D C 1.231 177.533 176.300 0.004 0.000 1.121 532 D CA -0.052 53.951 54.000 0.005 0.000 0.898 532 D CB 1.257 42.059 40.800 0.004 0.000 1.202 532 D HN 0.664 nan 8.370 nan 0.000 0.428 533 R N 1.667 122.175 120.500 0.013 0.000 2.200 533 R HA -0.129 4.211 4.340 0.000 0.000 0.234 533 R C 1.354 177.657 176.300 0.005 0.000 1.127 533 R CA 1.465 57.573 56.100 0.013 0.000 0.989 533 R CB -0.140 30.184 30.300 0.040 0.000 0.869 533 R HN 0.431 nan 8.270 nan 0.000 0.459 534 T N -0.262 114.295 114.554 0.004 0.000 3.088 534 T HA -0.061 4.289 4.350 0.000 0.000 0.259 534 T C -0.073 174.620 174.700 -0.012 0.000 1.122 534 T CA 0.688 62.786 62.100 -0.003 0.000 1.095 534 T CB -0.056 68.812 68.868 -0.001 0.000 0.930 534 T HN 0.213 nan 8.240 nan 0.000 0.508 535 D N 1.924 122.317 120.400 -0.011 0.000 2.943 535 D HA 0.178 4.818 4.640 0.000 0.000 0.249 535 D C 0.197 176.486 176.300 -0.019 0.000 1.231 535 D CA -0.540 53.452 54.000 -0.014 0.000 0.979 535 D CB -0.851 39.944 40.800 -0.009 0.000 1.053 535 D HN 0.424 nan 8.370 nan 0.000 0.504 536 C N -0.093 119.189 119.300 -0.030 0.000 2.423 536 C HA 0.870 5.330 4.460 0.000 0.000 0.378 536 C C 0.904 175.860 174.990 -0.056 0.000 1.244 536 C CA -0.768 58.225 59.018 -0.042 0.000 1.978 536 C CB 0.505 28.209 27.740 -0.060 0.000 2.252 536 C HN 0.470 nan 8.230 nan 0.000 0.526 537 T N -0.631 113.879 114.554 -0.073 0.000 2.930 537 T HA 0.148 4.498 4.350 0.000 0.000 0.306 537 T C 0.557 175.177 174.700 -0.133 0.000 1.045 537 T CA 0.196 62.248 62.100 -0.081 0.000 1.134 537 T CB 0.406 69.241 68.868 -0.055 0.000 0.961 537 T HN 0.708 nan 8.240 nan 0.000 0.545 538 D N 1.353 121.698 120.400 -0.093 0.000 2.149 538 D HA -0.123 4.517 4.640 0.000 0.000 0.198 538 D C 1.876 178.086 176.300 -0.149 0.000 0.990 538 D CA 1.087 55.028 54.000 -0.099 0.000 0.839 538 D CB -0.262 40.504 40.800 -0.057 0.000 0.948 538 D HN 0.671 nan 8.370 nan 0.000 0.460 539 M N 0.168 119.673 119.600 -0.158 0.000 2.082 539 M HA -0.201 4.279 4.480 0.000 0.000 0.258 539 M C 2.193 178.182 176.300 -0.519 0.000 1.069 539 M CA 1.271 56.448 55.300 -0.205 0.000 1.102 539 M CB -0.083 32.498 32.600 -0.032 0.000 1.336 539 M HN 0.071 nan 8.290 nan 0.000 0.404 540 L N -0.272 120.423 121.223 -0.881 0.000 2.012 540 L HA -0.210 4.131 4.340 0.000 0.000 0.210 540 L C 2.078 178.705 176.870 -0.405 0.000 1.073 540 L CA 1.350 55.500 54.840 -1.150 0.000 0.748 540 L CB -0.310 41.217 42.059 -0.886 0.000 0.891 540 L HN 0.148 nan 8.230 nan 0.000 0.431 541 V N -0.172 119.584 119.914 -0.264 0.000 2.255 541 V HA -0.339 3.781 4.120 0.000 0.000 0.247 541 V C 2.525 178.545 176.094 -0.122 0.000 1.051 541 V CA 2.193 64.406 62.300 -0.146 0.000 1.018 541 V CB -0.757 30.999 31.823 -0.111 0.000 0.641 541 V HN 0.545 nan 8.190 nan 0.000 0.445 542 Q N -1.478 118.247 119.800 -0.125 0.000 2.014 542 Q HA -0.308 4.032 4.340 0.000 0.000 0.207 542 Q C 2.092 178.029 176.000 -0.105 0.000 0.993 542 Q CA 2.633 58.374 55.803 -0.103 0.000 0.850 542 Q CB -0.336 28.348 28.738 -0.091 0.000 0.916 542 Q HN 0.804 nan 8.270 nan 0.000 0.417 543 W N 0.593 121.699 121.300 -0.323 0.000 2.335 543 W HA -0.184 4.476 4.660 0.000 0.000 0.311 543 W C 2.052 178.425 176.519 -0.244 0.000 1.213 543 W CA 2.086 59.225 57.345 -0.345 0.000 1.274 543 W CB -0.788 28.410 29.460 -0.436 0.000 1.148 543 W HN 0.154 nan 8.180 nan 0.000 0.498 544 G N 0.286 109.008 108.800 -0.130 0.000 2.421 544 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 544 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 544 G C 1.583 176.292 174.900 -0.319 0.000 1.171 544 G CA 1.109 46.025 45.100 -0.307 0.000 0.775 544 G HN 0.289 nan 8.290 nan 0.000 0.543 545 R N -0.138 120.242 120.500 -0.201 0.000 2.091 545 R HA -0.047 4.293 4.340 0.000 0.000 0.238 545 R C 2.580 178.769 176.300 -0.185 0.000 1.136 545 R CA 1.273 57.283 56.100 -0.151 0.000 0.959 545 R CB -0.173 30.065 30.300 -0.104 0.000 0.856 545 R HN 0.122 nan 8.270 nan 0.000 0.437 546 K N 0.610 120.862 120.400 -0.246 0.000 2.031 546 K HA -0.057 4.263 4.320 0.000 0.000 0.205 546 K C 2.039 178.466 176.600 -0.289 0.000 1.049 546 K CA 1.025 57.174 56.287 -0.231 0.000 0.939 546 K CB -0.253 32.110 32.500 -0.229 0.000 0.717 546 K HN 0.023 nan 8.250 nan 0.000 0.438 547 V N 1.431 121.047 119.914 -0.496 0.000 2.295 547 V HA -0.242 3.879 4.120 0.000 0.000 0.246 547 V C 2.500 178.421 176.094 -0.287 0.000 1.049 547 V CA 1.991 63.989 62.300 -0.502 0.000 1.024 547 V CB -0.746 30.500 31.823 -0.961 0.000 0.648 547 V HN 0.342 nan 8.190 nan 0.000 0.447 548 A N 0.618 123.279 122.820 -0.265 0.000 1.902 548 A HA -0.209 4.111 4.320 0.000 0.000 0.217 548 A C 2.536 180.069 177.584 -0.086 0.000 1.181 548 A CA 2.297 54.250 52.037 -0.140 0.000 0.623 548 A CB -0.743 18.198 19.000 -0.099 0.000 0.818 548 A HN 0.690 nan 8.150 nan 0.000 0.443 549 S N -1.330 114.319 115.700 -0.084 0.000 2.428 549 S HA -0.098 4.372 4.470 0.000 0.000 0.230 549 S C 1.759 176.345 174.600 -0.024 0.000 1.014 549 S CA 1.730 59.905 58.200 -0.041 0.000 0.957 549 S CB -0.852 62.325 63.200 -0.037 0.000 0.784 549 S HN 0.458 nan 8.310 nan 0.000 0.499 550 T N 2.831 117.362 114.554 -0.038 0.000 2.812 550 T HA 0.056 4.407 4.350 0.000 0.000 0.264 550 T C 1.630 176.355 174.700 0.040 0.000 1.042 550 T CA 1.240 63.351 62.100 0.018 0.000 1.140 550 T CB -0.477 68.396 68.868 0.010 0.000 0.870 550 T HN 0.415 nan 8.240 nan 0.000 0.445 551 N N 1.558 120.258 118.700 -0.000 0.000 2.381 551 N HA 0.057 4.798 4.740 0.000 0.000 0.182 551 N C 1.512 177.021 175.510 -0.002 0.000 1.025 551 N CA 0.740 53.796 53.050 0.010 0.000 0.888 551 N CB -0.208 38.270 38.487 -0.016 0.000 0.965 551 N HN 0.418 nan 8.380 nan 0.000 0.438 552 A N 0.546 123.360 122.820 -0.010 0.000 2.308 552 A HA 0.040 4.360 4.320 0.000 0.000 0.217 552 A C 0.931 178.520 177.584 0.007 0.000 1.216 552 A CA -0.412 51.618 52.037 -0.011 0.000 0.864 552 A CB -0.133 18.856 19.000 -0.017 0.000 0.902 552 A HN 0.218 nan 8.150 nan 0.000 0.499 553 R N -0.019 120.493 120.500 0.020 0.000 2.583 553 R HA -0.013 4.328 4.340 0.000 0.000 0.274 553 R C 0.127 176.440 176.300 0.022 0.000 0.998 553 R CA 0.650 56.767 56.100 0.028 0.000 1.081 553 R CB 0.344 30.674 30.300 0.050 0.000 0.940 553 R HN 0.010 nan 8.270 nan 0.000 0.413 554 K N 1.397 121.808 120.400 0.018 0.000 2.323 554 K HA 0.137 4.457 4.320 0.000 0.000 0.197 554 K C -0.055 176.552 176.600 0.012 0.000 1.043 554 K CA 0.892 57.187 56.287 0.013 0.000 0.997 554 K CB 0.675 33.182 32.500 0.011 0.000 0.807 554 K HN 0.658 nan 8.250 nan 0.000 0.497 555 T N 0.000 114.563 114.554 0.015 0.000 3.816 555 T HA 0.000 4.350 4.350 0.000 0.000 0.228 555 T CA 0.000 62.106 62.100 0.011 0.000 1.349 555 T CB 0.000 68.873 68.868 0.009 0.000 0.612 555 T HN 0.000 nan 8.240 nan 0.000 0.658