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 2z5o_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPDEQGLQQI LQLLKESQSP DTTIQRTVQQ KLEQLNQYPD FNNYLIFVLT DATA SEQUENCE KLKSEDEPTR SLSGLILKNN VKAHFQNFPN GVTDFIKSEC LNNIGDSSPL DATA SEQUENCE IRATVGILIT TIASKGELQN WPDLLPKLCS LLDSEDYNTC EGAFGALQKI DATA SEQUENCE CEDSAEILDS DVLDRPLNIM IPKFLQFFKH SSPKIRSHAV ACVNQFIISR DATA SEQUENCE TQALMLHIDS FIENLFALAG DEEPEVRKNV CRALVMLLEV RMDRLLPHMH DATA SEQUENCE NIVEYMLQRT QDQDENVALE ACEFWLTLAE QPICKDVLVR HLPKLIPVLV DATA SEQUENCE NGMKYSDIDI ILLKXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXSDWNL RKCSAAALDV LANVYRDELL PHILPLLKEL DATA SEQUENCE LFHHEWVVKE SGILVLGAIA EGCMQGMIPY LPELIPHLIQ CLSDKKALVR DATA SEQUENCE SITCWTLSRY AHWVVSQPPD TYLKPLMTEL LKRILDSNKR VQEAACSAFA DATA SEQUENCE TLEEEACTEL VPYLAYILDT LVFAFSKYQH KNLLILYDAI GTLADSVGHH DATA SEQUENCE LNKPEYIQML MPPLIQKWNM LKDEDKDLFP LLECLSSVAT ALQSGFLPYC DATA SEQUENCE EPVYQRCVNL VQKTLAQAML NNAQPDQYEA PDKDFMIVAL DLLSGLAEGL DATA SEQUENCE GGNIEQLVAR SNILTLMYQC MQDKMPEVRQ SSFALLGDLT KACFQHVKPC DATA SEQUENCE IADFMPILGT NLNPEFISVC NNATWAIGEI SIQMGIEMQP YIPMVLHQLV DATA SEQUENCE EIINRPNTPK TLLENTAITI GRLGYVCPQE VAPMLQQFIR PWCTSLRNIR DATA SEQUENCE DNEEKDSAFR GICTMISVNP SGVIQDFIFF CDAVASWINP KDDLRDMFCK DATA SEQUENCE ILHGFKNQVG DENWRRFSDQ FPLPLKERLA AFYGV 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.369 176.600 -0.385 0.000 0.988 6 K CA 0.000 56.054 56.287 -0.388 0.000 0.838 6 K CB 0.000 32.311 32.500 -0.315 0.000 1.064 7 P HA 0.520 nan 4.420 nan 0.000 0.301 7 P C -1.287 175.736 177.300 -0.462 0.000 1.309 7 P CA -0.181 62.562 63.100 -0.595 0.000 0.782 7 P CB 0.803 31.771 31.700 -1.220 0.000 1.282 8 D N -2.443 117.832 120.400 -0.208 0.000 2.798 8 D HA 0.101 4.739 4.640 -0.002 0.000 0.265 8 D C -0.480 175.874 176.300 0.090 0.000 1.223 8 D CA -0.424 53.545 54.000 -0.052 0.000 0.743 8 D CB 1.328 42.085 40.800 -0.071 0.000 1.276 8 D HN 0.546 nan 8.370 nan 0.000 0.421 9 E N -0.417 119.823 120.200 0.066 0.000 2.624 9 E HA -0.002 4.347 4.350 -0.002 0.000 0.192 9 E C 1.272 177.894 176.600 0.036 0.000 0.961 9 E CA -0.075 56.351 56.400 0.044 0.000 1.632 9 E CB -0.112 29.597 29.700 0.015 0.000 2.082 9 E HN 0.293 nan 8.360 nan 0.000 1.040 10 Q N 0.804 120.614 119.800 0.017 0.000 2.212 10 Q HA 0.062 4.400 4.340 -0.002 0.000 0.199 10 Q C 1.812 177.793 176.000 -0.032 0.000 0.950 10 Q CA 1.495 57.295 55.803 -0.004 0.000 0.863 10 Q CB -0.106 28.625 28.738 -0.013 0.000 0.944 10 Q HN 0.420 nan 8.270 nan 0.000 0.465 11 G N 1.366 110.138 108.800 -0.046 0.000 2.402 11 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.216 11 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.216 11 G C 1.351 176.088 174.900 -0.272 0.000 1.162 11 G CA 0.707 45.697 45.100 -0.184 0.000 0.777 11 G HN 0.362 nan 8.290 nan 0.000 0.539 12 L N 0.160 121.366 121.223 -0.027 0.000 2.046 12 L HA -0.040 4.299 4.340 -0.002 0.000 0.208 12 L C 2.685 179.573 176.870 0.030 0.000 1.077 12 L CA 1.791 56.683 54.840 0.087 0.000 0.747 12 L CB -0.372 41.806 42.059 0.199 0.000 0.896 12 L HN 0.112 nan 8.230 nan 0.000 0.432 13 Q N -0.653 119.158 119.800 0.018 0.000 2.224 13 Q HA -0.202 4.136 4.340 -0.002 0.000 0.203 13 Q C 2.176 178.171 176.000 -0.008 0.000 0.970 13 Q CA 1.246 57.058 55.803 0.015 0.000 0.865 13 Q CB -0.164 28.582 28.738 0.014 0.000 0.922 13 Q HN 0.672 nan 8.270 nan 0.000 0.445 14 Q N -0.169 119.605 119.800 -0.043 0.000 2.245 14 Q HA 0.013 4.352 4.340 -0.002 0.000 0.201 14 Q C 1.950 177.927 176.000 -0.038 0.000 0.955 14 Q CA 0.402 56.175 55.803 -0.049 0.000 0.870 14 Q CB 0.240 28.931 28.738 -0.079 0.000 0.945 14 Q HN 0.377 nan 8.270 nan 0.000 0.461 15 I N 0.213 120.750 120.570 -0.055 0.000 2.406 15 I HA -0.233 3.936 4.170 -0.002 0.000 0.249 15 I C 2.015 178.153 176.117 0.035 0.000 1.122 15 I CA 0.461 61.759 61.300 -0.003 0.000 1.431 15 I CB 0.037 38.007 38.000 -0.051 0.000 1.087 15 I HN 0.185 nan 8.210 nan 0.000 0.424 16 L N 0.048 121.292 121.223 0.036 0.000 2.046 16 L HA -0.247 4.092 4.340 -0.002 0.000 0.208 16 L C 2.605 179.497 176.870 0.038 0.000 1.077 16 L CA 1.283 56.152 54.840 0.049 0.000 0.747 16 L CB -0.476 41.616 42.059 0.056 0.000 0.896 16 L HN 0.255 nan 8.230 nan 0.000 0.432 17 Q N 0.146 119.961 119.800 0.026 0.000 2.119 17 Q HA -0.207 4.131 4.340 -0.002 0.000 0.201 17 Q C 2.023 178.038 176.000 0.025 0.000 0.972 17 Q CA 1.465 57.280 55.803 0.020 0.000 0.847 17 Q CB -0.254 28.490 28.738 0.010 0.000 0.903 17 Q HN 0.331 nan 8.270 nan 0.000 0.433 18 L N -0.546 120.696 121.223 0.030 0.000 2.083 18 L HA -0.068 4.271 4.340 -0.002 0.000 0.209 18 L C 1.848 178.752 176.870 0.056 0.000 1.083 18 L CA 1.499 56.365 54.840 0.043 0.000 0.752 18 L CB -0.301 41.795 42.059 0.062 0.000 0.899 18 L HN 0.324 nan 8.230 nan 0.000 0.433 19 L N -1.113 120.145 121.223 0.058 0.000 2.156 19 L HA -0.180 4.158 4.340 -0.002 0.000 0.208 19 L C 2.495 179.391 176.870 0.044 0.000 1.095 19 L CA 1.110 55.984 54.840 0.057 0.000 0.770 19 L CB -0.376 41.718 42.059 0.057 0.000 0.914 19 L HN 0.184 nan 8.230 nan 0.000 0.439 20 K N 0.025 120.447 120.400 0.037 0.000 2.002 20 K HA -0.188 4.131 4.320 -0.002 0.000 0.209 20 K C 2.017 178.633 176.600 0.026 0.000 1.048 20 K CA 1.533 57.838 56.287 0.029 0.000 0.930 20 K CB -0.077 32.438 32.500 0.025 0.000 0.714 20 K HN 0.267 nan 8.250 nan 0.000 0.438 21 E N 0.361 120.576 120.200 0.026 0.000 2.153 21 E HA -0.141 4.207 4.350 -0.002 0.000 0.194 21 E C 1.667 178.281 176.600 0.024 0.000 0.988 21 E CA 1.467 57.880 56.400 0.022 0.000 0.811 21 E CB 0.017 29.728 29.700 0.019 0.000 0.746 21 E HN 0.301 nan 8.360 nan 0.000 0.466 22 S N 0.088 115.807 115.700 0.032 0.000 2.660 22 S HA -0.027 4.441 4.470 -0.002 0.000 0.223 22 S C 1.356 175.974 174.600 0.030 0.000 0.963 22 S CA 0.296 58.517 58.200 0.034 0.000 0.932 22 S CB 0.128 63.355 63.200 0.046 0.000 0.775 22 S HN 0.219 nan 8.310 nan 0.000 0.531 23 Q N 1.462 121.277 119.800 0.026 0.000 2.217 23 Q HA 0.202 4.540 4.340 -0.002 0.000 0.217 23 Q C 0.362 176.373 176.000 0.018 0.000 0.844 23 Q CA -0.075 55.742 55.803 0.023 0.000 0.957 23 Q CB 0.738 29.490 28.738 0.023 0.000 1.127 23 Q HN 0.692 nan 8.270 nan 0.000 0.503 24 S N 0.816 116.527 115.700 0.018 0.000 2.572 24 S HA 0.039 4.508 4.470 -0.002 0.000 0.267 24 S C -1.740 172.867 174.600 0.013 0.000 1.361 24 S CA -0.903 57.305 58.200 0.014 0.000 1.009 24 S CB 0.315 63.523 63.200 0.013 0.000 0.888 24 S HN -0.091 nan 8.310 nan 0.000 0.553 25 P HA -0.038 nan 4.420 nan 0.000 0.210 25 P C 0.124 177.430 177.300 0.009 0.000 1.189 25 P CA 1.279 64.385 63.100 0.009 0.000 0.920 25 P CB -0.413 31.292 31.700 0.008 0.000 0.782 26 D N -1.087 119.318 120.400 0.008 0.000 2.362 26 D HA -0.010 4.629 4.640 -0.002 0.000 0.242 26 D C 0.531 176.836 176.300 0.008 0.000 1.132 26 D CA 0.233 54.237 54.000 0.007 0.000 0.907 26 D CB 0.335 41.139 40.800 0.006 0.000 1.195 26 D HN 0.042 nan 8.370 nan 0.000 0.429 27 T N 0.751 115.309 114.554 0.008 0.000 3.023 27 T HA -0.079 4.270 4.350 -0.002 0.000 0.266 27 T C 1.783 176.488 174.700 0.008 0.000 1.093 27 T CA 1.146 63.251 62.100 0.008 0.000 1.129 27 T CB -0.309 68.564 68.868 0.007 0.000 0.899 27 T HN 0.525 nan 8.240 nan 0.000 0.491 28 T N 2.642 117.200 114.554 0.007 0.000 2.652 28 T HA -0.005 4.343 4.350 -0.002 0.000 0.267 28 T C 1.903 176.606 174.700 0.006 0.000 1.039 28 T CA 1.123 63.227 62.100 0.006 0.000 1.153 28 T CB -0.378 68.493 68.868 0.004 0.000 0.863 28 T HN 0.382 nan 8.240 nan 0.000 0.428 29 I N 0.577 121.152 120.570 0.007 0.000 2.716 29 I HA -0.050 4.119 4.170 -0.002 0.000 0.259 29 I C 2.777 178.901 176.117 0.011 0.000 1.172 29 I CA 0.729 62.034 61.300 0.008 0.000 1.478 29 I CB -0.362 37.642 38.000 0.008 0.000 1.104 29 I HN 0.262 nan 8.210 nan 0.000 0.439 30 Q N 1.441 121.249 119.800 0.012 0.000 2.046 30 Q HA -0.134 4.204 4.340 -0.002 0.000 0.200 30 Q C 1.916 177.926 176.000 0.017 0.000 0.975 30 Q CA 1.284 57.097 55.803 0.016 0.000 0.836 30 Q CB 0.181 28.928 28.738 0.016 0.000 0.896 30 Q HN 0.306 nan 8.270 nan 0.000 0.428 31 R N 0.272 120.780 120.500 0.014 0.000 2.893 31 R HA 0.063 4.402 4.340 -0.002 0.000 0.317 31 R C 0.151 176.458 176.300 0.011 0.000 1.239 31 R CA 0.611 56.719 56.100 0.014 0.000 1.128 31 R CB 0.204 30.511 30.300 0.012 0.000 1.377 31 R HN 0.321 nan 8.270 nan 0.000 0.583 32 T N -5.891 108.669 114.554 0.010 0.000 3.028 32 T HA 0.088 4.436 4.350 -0.002 0.000 0.262 32 T C 1.325 176.028 174.700 0.006 0.000 0.916 32 T CA -0.114 61.989 62.100 0.006 0.000 0.873 32 T CB 0.353 69.224 68.868 0.004 0.000 1.232 32 T HN -0.051 nan 8.240 nan 0.000 0.529 33 V N 1.931 121.851 119.914 0.011 0.000 2.446 33 V HA -0.028 4.090 4.120 -0.002 0.000 0.244 33 V C 2.622 178.727 176.094 0.018 0.000 1.039 33 V CA 1.533 63.840 62.300 0.013 0.000 1.045 33 V CB -0.578 31.256 31.823 0.018 0.000 0.681 33 V HN 0.433 nan 8.190 nan 0.000 0.459 34 Q N -0.456 119.359 119.800 0.026 0.000 2.449 34 Q HA -0.295 4.043 4.340 -0.002 0.000 0.214 34 Q C 2.190 178.204 176.000 0.024 0.000 0.986 34 Q CA 1.255 57.079 55.803 0.035 0.000 0.893 34 Q CB -0.128 28.633 28.738 0.037 0.000 0.940 34 Q HN 0.570 nan 8.270 nan 0.000 0.477 35 Q N 0.611 120.416 119.800 0.010 0.000 2.020 35 Q HA -0.079 4.260 4.340 -0.002 0.000 0.198 35 Q C 1.621 177.608 176.000 -0.022 0.000 0.974 35 Q CA 1.331 57.132 55.803 -0.002 0.000 0.829 35 Q CB 0.051 28.786 28.738 -0.005 0.000 0.894 35 Q HN 0.240 nan 8.270 nan 0.000 0.433 36 K N -0.088 120.296 120.400 -0.027 0.000 2.209 36 K HA -0.056 4.263 4.320 -0.002 0.000 0.204 36 K C 1.610 178.151 176.600 -0.099 0.000 1.048 36 K CA 0.512 56.764 56.287 -0.058 0.000 0.940 36 K CB -0.085 32.389 32.500 -0.043 0.000 0.729 36 K HN 0.138 nan 8.250 nan 0.000 0.451 37 L N 1.472 122.671 121.223 -0.040 0.000 2.265 37 L HA -0.163 4.176 4.340 -0.002 0.000 0.215 37 L C 1.992 178.797 176.870 -0.109 0.000 1.117 37 L CA 1.828 56.661 54.840 -0.012 0.000 0.782 37 L CB -0.705 41.420 42.059 0.109 0.000 0.914 37 L HN 0.397 nan 8.230 nan 0.000 0.441 38 E N -2.462 117.686 120.200 -0.086 0.000 2.562 38 E HA -0.016 4.333 4.350 -0.002 0.000 0.214 38 E C 1.529 178.067 176.600 -0.104 0.000 0.979 38 E CA -0.113 56.250 56.400 -0.061 0.000 1.002 38 E CB 0.088 29.807 29.700 0.032 0.000 1.048 38 E HN 0.381 nan 8.360 nan 0.000 0.488 39 Q N 0.381 120.106 119.800 -0.125 0.000 2.331 39 Q HA 0.159 4.497 4.340 -0.002 0.000 0.203 39 Q C 1.782 177.732 176.000 -0.082 0.000 0.944 39 Q CA 0.568 56.320 55.803 -0.086 0.000 0.892 39 Q CB 0.307 29.011 28.738 -0.058 0.000 0.983 39 Q HN 0.324 nan 8.270 nan 0.000 0.482 40 L N 0.082 121.136 121.223 -0.282 0.000 2.307 40 L HA -0.027 4.312 4.340 -0.002 0.000 0.211 40 L C 1.978 178.595 176.870 -0.422 0.000 1.099 40 L CA 0.419 55.019 54.840 -0.400 0.000 0.816 40 L CB -0.190 41.349 42.059 -0.867 0.000 0.952 40 L HN 0.289 nan 8.230 nan 0.000 0.455 41 N N -0.254 118.163 118.700 -0.473 0.000 2.184 41 N HA -0.280 4.458 4.740 -0.002 0.000 0.190 41 N C 1.837 177.331 175.510 -0.026 0.000 1.011 41 N CA 1.144 54.132 53.050 -0.104 0.000 0.867 41 N CB 0.131 38.647 38.487 0.049 0.000 0.993 41 N HN 0.446 nan 8.380 nan 0.000 0.433 42 Q N -0.597 119.127 119.800 -0.126 0.000 2.119 42 Q HA -0.119 4.220 4.340 -0.002 0.000 0.201 42 Q C -0.122 175.746 176.000 -0.220 0.000 0.972 42 Q CA 0.836 56.497 55.803 -0.237 0.000 0.847 42 Q CB 0.019 28.555 28.738 -0.336 0.000 0.903 42 Q HN 0.497 nan 8.270 nan 0.000 0.433 43 Y N 0.990 121.240 120.300 -0.083 0.000 2.587 43 Y HA 0.036 4.584 4.550 -0.002 0.000 0.344 43 Y C -1.532 174.378 175.900 0.016 0.000 1.061 43 Y CA -1.839 56.241 58.100 -0.033 0.000 1.370 43 Y CB 0.429 38.876 38.460 -0.022 0.000 1.163 43 Y HN 0.133 nan 8.280 nan 0.000 0.527 44 P HA -0.161 nan 4.420 nan 0.000 0.222 44 P C 1.082 178.394 177.300 0.019 0.000 1.147 44 P CA 1.266 64.335 63.100 -0.050 0.000 0.790 44 P CB 0.340 31.963 31.700 -0.128 0.000 0.780 45 D N -1.644 118.829 120.400 0.121 0.000 2.263 45 D HA -0.191 4.447 4.640 -0.002 0.000 0.208 45 D C 1.515 177.987 176.300 0.285 0.000 0.971 45 D CA 0.580 54.670 54.000 0.149 0.000 0.867 45 D CB -0.663 40.233 40.800 0.160 0.000 0.929 45 D HN -0.033 nan 8.370 nan 0.000 0.492 46 F N 1.654 121.694 119.950 0.151 0.000 2.043 46 F HA -0.228 4.298 4.527 -0.002 0.000 0.297 46 F C 1.793 177.716 175.800 0.205 0.000 1.121 46 F CA 1.995 60.101 58.000 0.177 0.000 1.199 46 F CB -0.927 38.139 39.000 0.110 0.000 0.968 46 F HN 0.007 nan 8.300 nan 0.000 0.478 47 N N 0.043 118.774 118.700 0.053 0.000 2.272 47 N HA -0.230 4.508 4.740 -0.002 0.000 0.185 47 N C 1.302 176.843 175.510 0.052 0.000 1.014 47 N CA 1.368 54.397 53.050 -0.034 0.000 0.870 47 N CB -0.462 38.004 38.487 -0.035 0.000 0.975 47 N HN 0.490 nan 8.380 nan 0.000 0.433 48 N N -0.417 118.342 118.700 0.097 0.000 2.166 48 N HA -0.135 4.604 4.740 -0.002 0.000 0.186 48 N C 1.061 176.635 175.510 0.107 0.000 1.019 48 N CA 0.882 54.025 53.050 0.154 0.000 0.856 48 N CB -0.088 38.395 38.487 -0.007 0.000 0.993 48 N HN 0.299 nan 8.380 nan 0.000 0.426 49 Y N 0.604 120.904 120.300 -0.001 0.000 2.163 49 Y HA -0.103 4.445 4.550 -0.002 0.000 0.288 49 Y C 1.932 177.838 175.900 0.011 0.000 1.136 49 Y CA 0.621 58.707 58.100 -0.022 0.000 1.147 49 Y CB -0.257 38.145 38.460 -0.097 0.000 0.987 49 Y HN 0.002 nan 8.280 nan 0.000 0.509 50 L N -0.690 120.540 121.223 0.012 0.000 2.012 50 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 50 L C 2.310 179.208 176.870 0.046 0.000 1.073 50 L CA 1.488 56.298 54.840 -0.050 0.000 0.748 50 L CB -1.018 40.926 42.059 -0.192 0.000 0.891 50 L HN 0.239 nan 8.230 nan 0.000 0.431 51 I N -1.502 119.107 120.570 0.065 0.000 2.315 51 I HA -0.287 3.882 4.170 -0.002 0.000 0.248 51 I C 2.314 178.454 176.117 0.039 0.000 1.117 51 I CA 1.105 62.411 61.300 0.009 0.000 1.404 51 I CB -0.331 37.614 38.000 -0.093 0.000 1.071 51 I HN 0.199 nan 8.210 nan 0.000 0.419 52 F N 0.259 120.222 119.950 0.023 0.000 2.075 52 F HA -0.222 4.304 4.527 -0.002 0.000 0.297 52 F C 2.330 178.152 175.800 0.036 0.000 1.113 52 F CA 2.222 60.260 58.000 0.063 0.000 1.218 52 F CB -0.599 38.458 39.000 0.095 0.000 0.984 52 F HN -0.070 nan 8.300 nan 0.000 0.472 53 V N 0.763 120.844 119.914 0.277 0.000 2.282 53 V HA -0.321 3.797 4.120 -0.002 0.000 0.249 53 V C 2.353 178.451 176.094 0.007 0.000 1.057 53 V CA 1.960 64.352 62.300 0.153 0.000 1.032 53 V CB -1.046 30.874 31.823 0.161 0.000 0.645 53 V HN 0.496 nan 8.190 nan 0.000 0.447 54 L N -0.278 120.944 121.223 -0.002 0.000 1.970 54 L HA -0.167 4.171 4.340 -0.002 0.000 0.212 54 L C 2.463 179.285 176.870 -0.080 0.000 1.071 54 L CA 2.881 57.701 54.840 -0.033 0.000 0.751 54 L CB -0.879 41.164 42.059 -0.026 0.000 0.889 54 L HN 0.341 nan 8.230 nan 0.000 0.432 55 T N -2.086 112.393 114.554 -0.124 0.000 3.031 55 T HA 0.004 4.352 4.350 -0.002 0.000 0.254 55 T C 1.833 176.410 174.700 -0.205 0.000 1.060 55 T CA 0.901 62.913 62.100 -0.147 0.000 1.135 55 T CB 0.120 68.897 68.868 -0.152 0.000 0.896 55 T HN 0.292 nan 8.240 nan 0.000 0.472 56 K N -0.039 120.146 120.400 -0.358 0.000 2.262 56 K HA 0.313 4.632 4.320 -0.002 0.000 0.200 56 K C 0.654 177.005 176.600 -0.415 0.000 1.058 56 K CA -0.016 55.984 56.287 -0.477 0.000 0.974 56 K CB 0.105 32.082 32.500 -0.873 0.000 0.910 56 K HN 0.163 nan 8.250 nan 0.000 0.484 57 L N 3.119 124.086 121.223 -0.427 0.000 2.388 57 L HA 0.023 4.361 4.340 -0.002 0.000 0.252 57 L C 0.476 177.299 176.870 -0.078 0.000 1.357 57 L CA 0.288 55.022 54.840 -0.175 0.000 1.214 57 L CB -0.088 41.970 42.059 -0.001 0.000 1.392 57 L HN 0.003 nan 8.230 nan 0.000 0.432 58 K N -0.275 120.079 120.400 -0.077 0.000 2.486 58 K HA -0.030 4.288 4.320 -0.002 0.000 0.194 58 K C 1.733 178.324 176.600 -0.014 0.000 1.033 58 K CA 0.864 57.125 56.287 -0.043 0.000 1.004 58 K CB 0.104 32.577 32.500 -0.045 0.000 0.798 58 K HN 0.690 nan 8.250 nan 0.000 0.495 59 S N 0.388 116.088 115.700 -0.001 0.000 2.720 59 S HA -0.005 4.463 4.470 -0.002 0.000 0.222 59 S C 0.222 174.835 174.600 0.021 0.000 0.958 59 S CA 0.020 58.230 58.200 0.016 0.000 0.943 59 S CB -0.101 63.117 63.200 0.030 0.000 0.779 59 S HN 0.167 nan 8.310 nan 0.000 0.526 60 E N 1.816 122.026 120.200 0.017 0.000 2.299 60 E HA 0.364 4.712 4.350 -0.002 0.000 0.265 60 E C -0.847 175.761 176.600 0.013 0.000 0.911 60 E CA -0.898 55.515 56.400 0.022 0.000 0.789 60 E CB 1.231 30.951 29.700 0.032 0.000 1.246 60 E HN 0.360 nan 8.360 nan 0.000 0.427 61 D N 1.560 121.969 120.400 0.015 0.000 2.360 61 D HA -0.032 4.607 4.640 -0.002 0.000 0.242 61 D C 0.383 176.689 176.300 0.010 0.000 1.184 61 D CA 0.156 54.163 54.000 0.012 0.000 0.930 61 D CB 0.793 41.601 40.800 0.013 0.000 1.161 61 D HN 0.564 nan 8.370 nan 0.000 0.447 62 E N 0.334 120.539 120.200 0.007 0.000 2.031 62 E HA -0.121 4.228 4.350 -0.002 0.000 0.193 62 E C -0.849 175.756 176.600 0.008 0.000 0.994 62 E CA 1.104 57.507 56.400 0.005 0.000 0.800 62 E CB -0.963 28.739 29.700 0.003 0.000 0.752 62 E HN 0.468 nan 8.360 nan 0.000 0.447 63 P HA -0.202 nan 4.420 nan 0.000 0.215 63 P C 1.317 178.628 177.300 0.018 0.000 1.163 63 P CA 1.741 64.849 63.100 0.014 0.000 0.894 63 P CB -0.129 31.580 31.700 0.014 0.000 0.791 64 T N -0.463 114.103 114.554 0.020 0.000 2.595 64 T HA -0.167 4.182 4.350 -0.002 0.000 0.264 64 T C 1.785 176.501 174.700 0.026 0.000 1.058 64 T CA 1.517 63.633 62.100 0.027 0.000 1.166 64 T CB -0.734 68.152 68.868 0.030 0.000 0.863 64 T HN 0.152 nan 8.240 nan 0.000 0.415 65 R N 0.912 121.424 120.500 0.020 0.000 2.103 65 R HA -0.102 4.237 4.340 -0.002 0.000 0.242 65 R C 2.922 179.228 176.300 0.010 0.000 1.142 65 R CA 1.622 57.730 56.100 0.014 0.000 0.960 65 R CB -0.640 29.660 30.300 -0.000 0.000 0.858 65 R HN 0.285 nan 8.270 nan 0.000 0.439 66 S N 0.739 116.445 115.700 0.009 0.000 2.368 66 S HA -0.109 4.360 4.470 -0.002 0.000 0.225 66 S C 1.904 176.513 174.600 0.015 0.000 1.030 66 S CA 0.918 59.123 58.200 0.007 0.000 0.999 66 S CB -0.153 63.051 63.200 0.006 0.000 0.844 66 S HN 0.232 nan 8.310 nan 0.000 0.459 67 L N 1.459 122.695 121.223 0.021 0.000 2.042 67 L HA -0.057 4.281 4.340 -0.002 0.000 0.210 67 L C 2.603 179.494 176.870 0.034 0.000 1.076 67 L CA 2.209 57.067 54.840 0.030 0.000 0.749 67 L CB -1.048 41.032 42.059 0.035 0.000 0.893 67 L HN 0.370 nan 8.230 nan 0.000 0.432 68 S N -0.767 114.952 115.700 0.031 0.000 2.365 68 S HA -0.199 4.269 4.470 -0.002 0.000 0.225 68 S C 1.996 176.608 174.600 0.020 0.000 1.039 68 S CA 1.535 59.750 58.200 0.026 0.000 1.033 68 S CB -0.833 62.383 63.200 0.027 0.000 0.887 68 S HN 0.676 nan 8.310 nan 0.000 0.447 69 G N 0.835 109.645 108.800 0.017 0.000 2.422 69 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.218 69 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.218 69 G C 1.229 176.143 174.900 0.024 0.000 1.140 69 G CA 0.588 45.697 45.100 0.015 0.000 0.775 69 G HN 0.452 nan 8.290 nan 0.000 0.545 70 L N 0.916 122.154 121.223 0.025 0.000 2.291 70 L HA 0.163 4.501 4.340 -0.002 0.000 0.214 70 L C 2.645 179.544 176.870 0.047 0.000 1.120 70 L CA 0.462 55.319 54.840 0.029 0.000 0.799 70 L CB -0.481 41.593 42.059 0.024 0.000 0.925 70 L HN 0.151 nan 8.230 nan 0.000 0.446 71 I N -1.153 119.454 120.570 0.062 0.000 2.286 71 I HA -0.211 3.958 4.170 -0.002 0.000 0.245 71 I C 2.388 178.577 176.117 0.120 0.000 1.104 71 I CA 0.855 62.215 61.300 0.099 0.000 1.397 71 I CB -0.804 37.266 38.000 0.117 0.000 1.072 71 I HN 0.225 nan 8.210 nan 0.000 0.417 72 L N 1.564 122.843 121.223 0.092 0.000 2.083 72 L HA -0.187 4.151 4.340 -0.002 0.000 0.209 72 L C 2.543 179.486 176.870 0.123 0.000 1.083 72 L CA 1.860 56.777 54.840 0.128 0.000 0.752 72 L CB -0.845 41.269 42.059 0.093 0.000 0.899 72 L HN 0.155 nan 8.230 nan 0.000 0.433 73 K N -0.541 119.895 120.400 0.060 0.000 2.044 73 K HA -0.235 4.084 4.320 -0.002 0.000 0.210 73 K C 1.724 178.330 176.600 0.010 0.000 1.049 73 K CA 1.972 58.267 56.287 0.014 0.000 0.927 73 K CB -0.156 32.345 32.500 0.002 0.000 0.713 73 K HN 0.410 nan 8.250 nan 0.000 0.443 74 N N 1.055 119.781 118.700 0.044 0.000 2.309 74 N HA -0.102 4.636 4.740 -0.002 0.000 0.182 74 N C 1.083 176.621 175.510 0.048 0.000 1.018 74 N CA 0.956 54.029 53.050 0.038 0.000 0.876 74 N CB -0.423 38.099 38.487 0.060 0.000 0.972 74 N HN 0.278 nan 8.380 nan 0.000 0.434 75 N N -0.070 118.714 118.700 0.140 0.000 2.512 75 N HA -0.011 4.728 4.740 -0.002 0.000 0.183 75 N C 1.453 177.099 175.510 0.227 0.000 1.073 75 N CA 0.195 53.391 53.050 0.242 0.000 0.911 75 N CB 0.121 38.878 38.487 0.451 0.000 0.964 75 N HN 0.067 nan 8.380 nan 0.000 0.447 76 V N 0.387 120.323 119.914 0.037 0.000 2.500 76 V HA -0.017 4.102 4.120 -0.002 0.000 0.243 76 V C 1.119 177.124 176.094 -0.148 0.000 1.039 76 V CA 0.927 63.124 62.300 -0.171 0.000 1.053 76 V CB -0.192 31.412 31.823 -0.365 0.000 0.695 76 V HN 0.164 nan 8.190 nan 0.000 0.463 77 K N 1.300 121.628 120.400 -0.121 0.000 3.319 77 K HA 0.424 4.743 4.320 -0.002 0.000 0.296 77 K C -0.058 176.478 176.600 -0.107 0.000 0.916 77 K CA 0.515 56.741 56.287 -0.100 0.000 1.103 77 K CB -0.291 32.167 32.500 -0.069 0.000 1.142 77 K HN 0.465 nan 8.250 nan 0.000 0.416 78 A N 1.188 123.910 122.820 -0.162 0.000 2.015 78 A HA 0.087 4.405 4.320 -0.002 0.000 0.261 78 A C -0.329 176.905 177.584 -0.582 0.000 0.944 78 A CA -1.058 50.811 52.037 -0.279 0.000 0.744 78 A CB -0.199 18.617 19.000 -0.307 0.000 0.796 78 A HN 0.676 nan 8.150 nan 0.000 0.335 79 H N 0.637 119.808 119.070 0.167 0.000 2.626 79 H HA -0.240 4.315 4.556 -0.002 0.000 0.317 79 H C 0.015 175.556 175.328 0.354 0.000 1.140 79 H CA 1.419 57.589 56.048 0.202 0.000 1.134 79 H CB -1.939 27.915 29.762 0.153 0.000 1.486 79 H HN 1.329 nan 8.280 nan 0.000 0.417 80 F N 1.739 121.755 119.950 0.110 0.000 2.416 80 F HA -0.005 4.520 4.527 -0.002 0.000 0.296 80 F C 2.129 178.014 175.800 0.141 0.000 1.099 80 F CA 1.101 59.110 58.000 0.015 0.000 1.427 80 F CB 0.257 39.085 39.000 -0.286 0.000 1.079 80 F HN 0.200 nan 8.300 nan 0.000 0.536 81 Q N -0.036 119.845 119.800 0.134 0.000 2.234 81 Q HA -0.240 4.099 4.340 -0.002 0.000 0.206 81 Q C 1.660 177.674 176.000 0.023 0.000 0.980 81 Q CA 1.901 57.732 55.803 0.048 0.000 0.869 81 Q CB -0.817 27.974 28.738 0.089 0.000 0.912 81 Q HN 0.477 nan 8.270 nan 0.000 0.436 82 N N -0.589 118.181 118.700 0.116 0.000 2.463 82 N HA 0.010 4.749 4.740 -0.002 0.000 0.181 82 N C -0.759 174.781 175.510 0.050 0.000 1.078 82 N CA -0.177 52.927 53.050 0.089 0.000 0.902 82 N CB 0.144 38.710 38.487 0.132 0.000 0.970 82 N HN 0.085 nan 8.380 nan 0.000 0.451 83 F N 1.729 121.544 119.950 -0.225 0.000 2.533 83 F HA 0.165 4.691 4.527 -0.002 0.000 0.378 83 F C -1.610 174.038 175.800 -0.253 0.000 1.070 83 F CA -1.846 55.982 58.000 -0.287 0.000 1.172 83 F CB 0.462 39.075 39.000 -0.644 0.000 1.085 83 F HN 0.076 nan 8.300 nan 0.000 0.552 84 P HA 0.092 nan 4.420 nan 0.000 0.274 84 P C 0.065 177.344 177.300 -0.036 0.000 1.237 84 P CA -0.318 62.746 63.100 -0.060 0.000 0.793 84 P CB 0.703 32.364 31.700 -0.065 0.000 0.977 85 N N 1.098 119.777 118.700 -0.035 0.000 2.104 85 N HA -0.120 4.618 4.740 -0.002 0.000 0.190 85 N C 1.965 177.472 175.510 -0.004 0.000 1.024 85 N CA 1.904 54.940 53.050 -0.024 0.000 0.853 85 N CB -1.055 37.418 38.487 -0.022 0.000 1.008 85 N HN 0.593 nan 8.380 nan 0.000 0.424 86 G N 0.776 109.573 108.800 -0.004 0.000 2.422 86 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.218 86 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.218 86 G C 1.709 176.639 174.900 0.050 0.000 1.140 86 G CA 0.654 45.759 45.100 0.007 0.000 0.775 86 G HN 0.204 nan 8.290 nan 0.000 0.545 87 V N 0.832 120.776 119.914 0.050 0.000 2.323 87 V HA -0.132 3.986 4.120 -0.002 0.000 0.244 87 V C 3.094 179.306 176.094 0.196 0.000 1.041 87 V CA 2.241 64.611 62.300 0.117 0.000 1.025 87 V CB -1.003 30.825 31.823 0.008 0.000 0.656 87 V HN 0.345 nan 8.190 nan 0.000 0.451 88 T N -0.047 114.604 114.554 0.162 0.000 2.652 88 T HA -0.217 4.132 4.350 -0.002 0.000 0.267 88 T C 1.653 176.353 174.700 0.001 0.000 1.039 88 T CA 1.820 63.995 62.100 0.125 0.000 1.153 88 T CB -0.462 68.433 68.868 0.045 0.000 0.863 88 T HN 0.431 nan 8.240 nan 0.000 0.428 89 D N 0.223 120.627 120.400 0.007 0.000 2.221 89 D HA -0.051 4.588 4.640 -0.002 0.000 0.204 89 D C 1.569 177.927 176.300 0.097 0.000 0.982 89 D CA 0.652 54.653 54.000 0.002 0.000 0.857 89 D CB -0.345 40.470 40.800 0.025 0.000 0.934 89 D HN 0.448 nan 8.370 nan 0.000 0.475 90 F N 0.589 120.529 119.950 -0.018 0.000 2.149 90 F HA -0.048 4.478 4.527 -0.002 0.000 0.294 90 F C 2.123 177.933 175.800 0.016 0.000 1.095 90 F CA 0.634 58.637 58.000 0.005 0.000 1.276 90 F CB 0.097 39.103 39.000 0.010 0.000 1.023 90 F HN -0.175 nan 8.300 nan 0.000 0.480 91 I N 0.828 121.329 120.570 -0.116 0.000 2.142 91 I HA -0.311 3.858 4.170 -0.002 0.000 0.240 91 I C 2.291 178.315 176.117 -0.154 0.000 1.078 91 I CA 1.473 62.655 61.300 -0.196 0.000 1.343 91 I CB -0.629 37.365 38.000 -0.010 0.000 1.046 91 I HN 0.043 nan 8.210 nan 0.000 0.405 92 K N 0.527 120.814 120.400 -0.188 0.000 2.000 92 K HA -0.274 4.045 4.320 -0.002 0.000 0.218 92 K C 2.350 178.993 176.600 0.071 0.000 1.053 92 K CA 2.233 58.391 56.287 -0.215 0.000 0.946 92 K CB -0.576 31.542 32.500 -0.637 0.000 0.723 92 K HN 0.247 nan 8.250 nan 0.000 0.446 93 S N 0.909 116.625 115.700 0.028 0.000 2.380 93 S HA -0.257 4.212 4.470 -0.002 0.000 0.229 93 S C 1.950 176.554 174.600 0.006 0.000 1.050 93 S CA 1.776 60.011 58.200 0.059 0.000 1.100 93 S CB -0.264 62.983 63.200 0.078 0.000 0.984 93 S HN 0.230 nan 8.310 nan 0.000 0.434 94 E N 0.270 120.398 120.200 -0.119 0.000 2.051 94 E HA -0.097 4.251 4.350 -0.002 0.000 0.192 94 E C 2.491 179.039 176.600 -0.086 0.000 0.991 94 E CA 1.264 57.562 56.400 -0.171 0.000 0.799 94 E CB -0.945 28.506 29.700 -0.415 0.000 0.748 94 E HN 0.661 nan 8.360 nan 0.000 0.449 95 C N 0.566 119.838 119.300 -0.045 0.000 2.432 95 C HA -0.112 4.347 4.460 -0.002 0.000 0.277 95 C C 2.720 177.735 174.990 0.043 0.000 1.249 95 C CA 0.241 59.268 59.018 0.015 0.000 1.725 95 C CB -1.035 26.756 27.740 0.086 0.000 2.028 95 C HN 0.305 nan 8.230 nan 0.000 0.477 96 L N 1.526 122.810 121.223 0.102 0.000 2.265 96 L HA -0.069 4.269 4.340 -0.002 0.000 0.215 96 L C 2.122 179.004 176.870 0.020 0.000 1.117 96 L CA 1.598 56.483 54.840 0.075 0.000 0.782 96 L CB -0.785 41.365 42.059 0.151 0.000 0.914 96 L HN 0.404 nan 8.230 nan 0.000 0.441 97 N N -0.633 118.075 118.700 0.014 0.000 2.182 97 N HA -0.074 4.665 4.740 -0.002 0.000 0.186 97 N C 1.195 176.693 175.510 -0.020 0.000 1.036 97 N CA 0.996 54.044 53.050 -0.004 0.000 0.850 97 N CB -0.317 38.169 38.487 -0.002 0.000 1.010 97 N HN 0.390 nan 8.380 nan 0.000 0.432 98 N N 1.622 120.304 118.700 -0.030 0.000 2.501 98 N HA 0.026 4.765 4.740 -0.002 0.000 0.195 98 N C 1.461 176.948 175.510 -0.039 0.000 1.213 98 N CA -0.157 52.870 53.050 -0.038 0.000 0.864 98 N CB 0.110 38.566 38.487 -0.051 0.000 0.999 98 N HN 0.264 nan 8.380 nan 0.000 0.454 99 I N 0.254 120.800 120.570 -0.040 0.000 2.300 99 I HA -0.192 3.977 4.170 -0.002 0.000 0.252 99 I C 1.261 177.338 176.117 -0.067 0.000 1.119 99 I CA 1.171 62.438 61.300 -0.054 0.000 1.384 99 I CB 0.096 38.056 38.000 -0.066 0.000 1.062 99 I HN 0.034 nan 8.210 nan 0.000 0.426 100 G N 0.121 108.885 108.800 -0.060 0.000 4.644 100 G HA2 0.104 4.062 3.960 -0.002 0.000 0.307 100 G HA3 0.104 4.062 3.960 -0.002 0.000 0.307 100 G C -0.599 174.277 174.900 -0.040 0.000 1.331 100 G CA -0.380 44.681 45.100 -0.064 0.000 1.059 100 G HN 0.216 nan 8.290 nan 0.000 0.590 101 D N 0.174 120.552 120.400 -0.037 0.000 2.488 101 D HA 0.156 4.795 4.640 -0.002 0.000 0.238 101 D C 1.758 178.050 176.300 -0.014 0.000 1.138 101 D CA 0.228 54.213 54.000 -0.025 0.000 0.873 101 D CB 1.050 41.833 40.800 -0.029 0.000 1.183 101 D HN 0.077 nan 8.370 nan 0.000 0.458 102 S N 1.076 116.774 115.700 -0.004 0.000 2.407 102 S HA -0.180 4.288 4.470 -0.002 0.000 0.235 102 S C 1.045 175.650 174.600 0.010 0.000 1.036 102 S CA 0.764 58.969 58.200 0.009 0.000 1.013 102 S CB -0.177 63.030 63.200 0.010 0.000 0.820 102 S HN 0.544 nan 8.310 nan 0.000 0.476 103 S N 1.504 117.204 115.700 0.000 0.000 2.549 103 S HA 0.190 4.658 4.470 -0.002 0.000 0.279 103 S C -1.708 172.892 174.600 0.000 0.000 1.321 103 S CA -1.659 56.542 58.200 0.001 0.000 1.054 103 S CB 0.981 64.179 63.200 -0.004 0.000 0.899 103 S HN -0.043 nan 8.310 nan 0.000 0.497 104 P HA -0.036 nan 4.420 nan 0.000 0.212 104 P C 1.666 178.965 177.300 -0.002 0.000 1.180 104 P CA 0.336 63.440 63.100 0.006 0.000 0.902 104 P CB -0.049 31.659 31.700 0.014 0.000 0.778 105 L N -0.733 120.490 121.223 0.000 0.000 2.042 105 L HA -0.157 4.181 4.340 -0.002 0.000 0.210 105 L C 2.099 178.965 176.870 -0.007 0.000 1.076 105 L CA 1.930 56.769 54.840 -0.002 0.000 0.749 105 L CB -1.275 40.785 42.059 0.002 0.000 0.893 105 L HN -0.157 nan 8.230 nan 0.000 0.432 106 I N -0.291 120.273 120.570 -0.009 0.000 2.142 106 I HA -0.292 3.876 4.170 -0.002 0.000 0.240 106 I C 2.705 178.809 176.117 -0.021 0.000 1.078 106 I CA 1.558 62.848 61.300 -0.016 0.000 1.343 106 I CB -1.354 36.634 38.000 -0.020 0.000 1.046 106 I HN 0.421 nan 8.210 nan 0.000 0.405 107 R N 0.952 121.438 120.500 -0.023 0.000 2.096 107 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 107 R C 2.337 178.618 176.300 -0.032 0.000 1.127 107 R CA 1.630 57.711 56.100 -0.032 0.000 0.968 107 R CB -0.129 30.148 30.300 -0.038 0.000 0.861 107 R HN 0.335 nan 8.270 nan 0.000 0.440 108 A N -0.111 122.696 122.820 -0.023 0.000 1.902 108 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 108 A C 2.111 179.685 177.584 -0.017 0.000 1.181 108 A CA 2.033 54.059 52.037 -0.019 0.000 0.623 108 A CB -0.766 18.227 19.000 -0.011 0.000 0.818 108 A HN 0.470 nan 8.150 nan 0.000 0.443 109 T N -0.505 114.040 114.554 -0.014 0.000 2.857 109 T HA -0.070 4.278 4.350 -0.002 0.000 0.266 109 T C 1.852 176.544 174.700 -0.013 0.000 1.048 109 T CA 1.354 63.448 62.100 -0.011 0.000 1.139 109 T CB -0.385 68.478 68.868 -0.008 0.000 0.874 109 T HN 0.149 nan 8.240 nan 0.000 0.455 110 V N 1.635 121.538 119.914 -0.020 0.000 2.343 110 V HA -0.105 4.013 4.120 -0.002 0.000 0.247 110 V C 2.846 178.930 176.094 -0.015 0.000 1.051 110 V CA 1.981 64.269 62.300 -0.020 0.000 1.036 110 V CB -1.426 30.380 31.823 -0.029 0.000 0.654 110 V HN 0.590 nan 8.190 nan 0.000 0.451 111 G N -0.218 108.566 108.800 -0.026 0.000 2.511 111 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.216 111 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.216 111 G C 1.666 176.552 174.900 -0.022 0.000 1.218 111 G CA 1.077 46.158 45.100 -0.032 0.000 0.788 111 G HN 0.489 nan 8.290 nan 0.000 0.560 112 I N -0.078 120.481 120.570 -0.019 0.000 2.530 112 I HA -0.132 4.037 4.170 -0.002 0.000 0.257 112 I C 2.409 178.515 176.117 -0.017 0.000 1.179 112 I CA 0.715 62.003 61.300 -0.019 0.000 1.440 112 I CB 0.064 38.054 38.000 -0.017 0.000 1.087 112 I HN 0.177 nan 8.210 nan 0.000 0.440 113 L N 0.765 121.984 121.223 -0.007 0.000 2.072 113 L HA -0.096 4.242 4.340 -0.002 0.000 0.205 113 L C 2.152 179.041 176.870 0.032 0.000 1.079 113 L CA 1.759 56.599 54.840 -0.000 0.000 0.752 113 L CB -0.445 41.618 42.059 0.007 0.000 0.906 113 L HN 0.194 nan 8.230 nan 0.000 0.436 114 I N -1.427 119.181 120.570 0.065 0.000 2.142 114 I HA -0.303 3.865 4.170 -0.002 0.000 0.240 114 I C 2.268 178.430 176.117 0.075 0.000 1.078 114 I CA 1.563 62.947 61.300 0.139 0.000 1.343 114 I CB -0.965 37.054 38.000 0.032 0.000 1.046 114 I HN 0.187 nan 8.210 nan 0.000 0.405 115 T N 0.585 115.137 114.554 -0.003 0.000 2.597 115 T HA -0.240 4.109 4.350 -0.002 0.000 0.267 115 T C 1.888 176.567 174.700 -0.035 0.000 1.053 115 T CA 2.578 64.662 62.100 -0.027 0.000 1.165 115 T CB -0.517 68.330 68.868 -0.034 0.000 0.863 115 T HN 0.433 nan 8.240 nan 0.000 0.427 116 T N 1.682 116.202 114.554 -0.057 0.000 2.833 116 T HA 0.060 4.409 4.350 -0.002 0.000 0.269 116 T C 1.970 176.550 174.700 -0.200 0.000 1.054 116 T CA 0.839 62.870 62.100 -0.115 0.000 1.135 116 T CB -0.356 68.439 68.868 -0.122 0.000 0.869 116 T HN 0.339 nan 8.240 nan 0.000 0.466 117 I N 1.139 121.613 120.570 -0.160 0.000 2.439 117 I HA -0.096 4.073 4.170 -0.002 0.000 0.251 117 I C 2.818 178.886 176.117 -0.081 0.000 1.139 117 I CA 0.745 61.885 61.300 -0.268 0.000 1.438 117 I CB -0.367 37.562 38.000 -0.118 0.000 1.085 117 I HN 0.216 nan 8.210 nan 0.000 0.427 118 A N 0.744 123.611 122.820 0.080 0.000 1.840 118 A HA -0.206 4.112 4.320 -0.002 0.000 0.214 118 A C 2.523 180.103 177.584 -0.007 0.000 1.198 118 A CA 1.920 54.013 52.037 0.092 0.000 0.608 118 A CB -1.016 18.003 19.000 0.031 0.000 0.839 118 A HN 0.462 nan 8.150 nan 0.000 0.443 119 S N -0.045 115.626 115.700 -0.048 0.000 2.365 119 S HA -0.251 4.218 4.470 -0.002 0.000 0.225 119 S C 1.942 176.494 174.600 -0.080 0.000 1.039 119 S CA 1.840 60.006 58.200 -0.057 0.000 1.033 119 S CB -0.431 62.731 63.200 -0.063 0.000 0.887 119 S HN 0.522 nan 8.310 nan 0.000 0.447 120 K N 0.771 121.073 120.400 -0.165 0.000 2.167 120 K HA 0.079 4.398 4.320 -0.002 0.000 0.203 120 K C 2.456 178.970 176.600 -0.144 0.000 1.052 120 K CA 0.764 56.935 56.287 -0.194 0.000 0.956 120 K CB -0.825 31.462 32.500 -0.354 0.000 0.735 120 K HN 0.554 nan 8.250 nan 0.000 0.451 121 G N 1.536 110.230 108.800 -0.176 0.000 2.469 121 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.220 121 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.220 121 G C 0.390 175.343 174.900 0.089 0.000 1.136 121 G CA 0.427 45.540 45.100 0.022 0.000 0.759 121 G HN 0.464 nan 8.290 nan 0.000 0.562 122 E N -0.706 119.525 120.200 0.052 0.000 2.197 122 E HA -0.181 4.168 4.350 -0.002 0.000 0.184 122 E C 0.349 176.990 176.600 0.069 0.000 1.439 122 E CA 0.657 57.088 56.400 0.052 0.000 0.688 122 E CB -1.189 28.534 29.700 0.038 0.000 1.090 122 E HN 0.477 nan 8.360 nan 0.000 0.341 123 L N 1.326 122.597 121.223 0.079 0.000 4.623 123 L HA -0.062 4.277 4.340 -0.002 0.000 0.468 123 L C 1.884 178.821 176.870 0.110 0.000 0.911 123 L CA 0.667 55.565 54.840 0.096 0.000 1.860 123 L CB -0.525 41.572 42.059 0.064 0.000 2.029 123 L HN 0.371 nan 8.230 nan 0.000 0.620 124 Q N -0.114 119.737 119.800 0.085 0.000 2.515 124 Q HA -0.164 4.175 4.340 -0.002 0.000 0.215 124 Q C 0.364 176.431 176.000 0.113 0.000 0.983 124 Q CA 1.813 57.666 55.803 0.083 0.000 0.905 124 Q CB -0.997 27.775 28.738 0.058 0.000 0.961 124 Q HN 0.639 nan 8.270 nan 0.000 0.503 125 N N -0.653 118.128 118.700 0.135 0.000 2.461 125 N HA -0.019 4.719 4.740 -0.002 0.000 0.188 125 N C -0.665 174.975 175.510 0.217 0.000 1.134 125 N CA 0.034 53.170 53.050 0.144 0.000 0.878 125 N CB 0.112 38.680 38.487 0.135 0.000 0.972 125 N HN 0.232 nan 8.380 nan 0.000 0.456 126 W N 1.862 123.183 121.300 0.034 0.000 2.237 126 W HA 0.354 5.013 4.660 -0.002 0.000 0.289 126 W C -2.428 174.098 176.519 0.011 0.000 0.988 126 W CA -2.518 54.842 57.345 0.026 0.000 1.671 126 W CB 0.717 30.187 29.460 0.016 0.000 1.746 126 W HN -0.045 nan 8.180 nan 0.000 0.380 127 P HA -0.159 nan 4.420 nan 0.000 0.217 127 P C 0.653 178.002 177.300 0.082 0.000 1.151 127 P CA 1.829 65.011 63.100 0.137 0.000 0.828 127 P CB 0.531 32.298 31.700 0.111 0.000 0.788 128 D N -0.203 120.288 120.400 0.151 0.000 2.269 128 D HA -0.099 4.539 4.640 -0.002 0.000 0.208 128 D C 1.993 178.224 176.300 -0.116 0.000 0.963 128 D CA 0.175 54.209 54.000 0.057 0.000 0.864 128 D CB -0.845 40.043 40.800 0.147 0.000 0.936 128 D HN -0.001 nan 8.370 nan 0.000 0.505 129 L N 0.816 121.823 121.223 -0.359 0.000 1.976 129 L HA -0.251 4.088 4.340 -0.002 0.000 0.223 129 L C 1.885 178.509 176.870 -0.411 0.000 1.081 129 L CA 1.810 56.199 54.840 -0.751 0.000 0.784 129 L CB -0.681 40.674 42.059 -1.172 0.000 0.896 129 L HN 0.122 nan 8.230 nan 0.000 0.438 130 L N -0.933 120.120 121.223 -0.283 0.000 1.961 130 L HA -0.165 4.173 4.340 -0.002 0.000 0.210 130 L C 0.021 176.784 176.870 -0.179 0.000 1.072 130 L CA 1.594 56.310 54.840 -0.206 0.000 0.749 130 L CB -2.188 39.780 42.059 -0.152 0.000 0.889 130 L HN 0.234 nan 8.230 nan 0.000 0.432 131 P HA -0.196 nan 4.420 nan 0.000 0.218 131 P C 1.296 178.527 177.300 -0.116 0.000 1.148 131 P CA 1.250 64.279 63.100 -0.119 0.000 0.822 131 P CB 0.063 31.713 31.700 -0.083 0.000 0.784 132 K N -0.126 120.201 120.400 -0.121 0.000 2.062 132 K HA -0.032 4.286 4.320 -0.002 0.000 0.205 132 K C 1.949 178.466 176.600 -0.138 0.000 1.051 132 K CA 1.193 57.416 56.287 -0.107 0.000 0.941 132 K CB -1.212 31.238 32.500 -0.084 0.000 0.719 132 K HN 0.042 nan 8.250 nan 0.000 0.440 133 L N 0.007 121.118 121.223 -0.186 0.000 1.994 133 L HA -0.280 4.058 4.340 -0.002 0.000 0.208 133 L C 2.433 179.174 176.870 -0.215 0.000 1.071 133 L CA 1.579 56.297 54.840 -0.204 0.000 0.745 133 L CB -0.560 41.364 42.059 -0.225 0.000 0.892 133 L HN 0.252 nan 8.230 nan 0.000 0.431 134 C N -1.312 117.859 119.300 -0.215 0.000 2.403 134 C HA -0.205 4.254 4.460 -0.002 0.000 0.279 134 C C 3.300 178.188 174.990 -0.170 0.000 1.269 134 C CA 1.295 60.173 59.018 -0.233 0.000 1.774 134 C CB -0.953 26.654 27.740 -0.221 0.000 1.993 134 C HN 0.596 nan 8.230 nan 0.000 0.496 135 S N 0.361 115.985 115.700 -0.126 0.000 2.355 135 S HA -0.082 4.387 4.470 -0.002 0.000 0.222 135 S C 1.552 176.108 174.600 -0.074 0.000 1.031 135 S CA 1.151 59.304 58.200 -0.078 0.000 0.993 135 S CB -0.196 62.967 63.200 -0.063 0.000 0.859 135 S HN 0.430 nan 8.310 nan 0.000 0.453 136 L N 1.452 122.612 121.223 -0.105 0.000 2.549 136 L HA 0.147 4.486 4.340 -0.002 0.000 0.229 136 L C 1.860 178.653 176.870 -0.129 0.000 1.158 136 L CA 0.711 55.491 54.840 -0.100 0.000 0.842 136 L CB -0.893 41.097 42.059 -0.115 0.000 0.952 136 L HN 0.316 nan 8.230 nan 0.000 0.452 137 L N -0.733 120.374 121.223 -0.193 0.000 2.156 137 L HA -0.122 4.216 4.340 -0.002 0.000 0.208 137 L C 1.791 178.666 176.870 0.007 0.000 1.095 137 L CA 1.555 56.213 54.840 -0.304 0.000 0.770 137 L CB -0.502 41.205 42.059 -0.586 0.000 0.914 137 L HN 0.283 nan 8.230 nan 0.000 0.439 138 D N -1.558 118.896 120.400 0.089 0.000 2.340 138 D HA -0.001 4.638 4.640 -0.002 0.000 0.220 138 D C 1.006 177.372 176.300 0.110 0.000 1.039 138 D CA 0.172 54.276 54.000 0.173 0.000 0.866 138 D CB 0.183 41.055 40.800 0.121 0.000 0.913 138 D HN 0.228 nan 8.370 nan 0.000 0.523 139 S N 0.981 116.717 115.700 0.060 0.000 2.558 139 S HA -0.074 4.395 4.470 -0.002 0.000 0.291 139 S C 1.320 175.972 174.600 0.088 0.000 1.306 139 S CA -0.024 58.205 58.200 0.049 0.000 1.056 139 S CB 1.065 64.272 63.200 0.012 0.000 0.836 139 S HN 0.059 nan 8.310 nan 0.000 0.504 140 E N 1.838 122.084 120.200 0.077 0.000 2.285 140 E HA -0.046 4.303 4.350 -0.002 0.000 0.194 140 E C -0.043 176.624 176.600 0.111 0.000 0.997 140 E CA 0.357 56.813 56.400 0.094 0.000 0.845 140 E CB -0.100 29.640 29.700 0.067 0.000 0.782 140 E HN 0.730 nan 8.360 nan 0.000 0.491 141 D N -0.327 120.128 120.400 0.092 0.000 2.308 141 D HA -0.023 4.616 4.640 -0.002 0.000 0.251 141 D C 0.571 176.954 176.300 0.139 0.000 1.127 141 D CA -0.198 53.865 54.000 0.105 0.000 0.876 141 D CB 0.689 41.525 40.800 0.060 0.000 1.176 141 D HN -0.051 nan 8.370 nan 0.000 0.446 142 Y N 4.536 124.874 120.300 0.062 0.000 2.114 142 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 142 Y C 1.653 177.572 175.900 0.032 0.000 1.143 142 Y CA 1.585 59.727 58.100 0.070 0.000 1.135 142 Y CB -0.013 38.496 38.460 0.081 0.000 0.980 142 Y HN 0.456 nan 8.280 nan 0.000 0.499 143 N N -0.189 118.454 118.700 -0.095 0.000 2.104 143 N HA -0.189 4.549 4.740 -0.002 0.000 0.190 143 N C 1.879 177.273 175.510 -0.193 0.000 1.024 143 N CA 2.384 55.313 53.050 -0.202 0.000 0.853 143 N CB -0.783 37.680 38.487 -0.039 0.000 1.008 143 N HN 0.624 nan 8.380 nan 0.000 0.424 144 T N -1.695 112.793 114.554 -0.110 0.000 2.857 144 T HA -0.090 4.259 4.350 -0.002 0.000 0.266 144 T C 2.461 177.078 174.700 -0.139 0.000 1.048 144 T CA 0.956 62.996 62.100 -0.100 0.000 1.139 144 T CB -0.859 67.977 68.868 -0.053 0.000 0.874 144 T HN 0.331 nan 8.240 nan 0.000 0.455 145 C N 1.501 120.718 119.300 -0.140 0.000 2.489 145 C HA 0.020 4.478 4.460 -0.002 0.000 0.279 145 C C 2.803 177.660 174.990 -0.223 0.000 1.266 145 C CA 1.255 60.183 59.018 -0.150 0.000 1.707 145 C CB -1.014 26.700 27.740 -0.043 0.000 2.059 145 C HN 0.615 nan 8.230 nan 0.000 0.481 146 E N 0.638 120.625 120.200 -0.356 0.000 2.058 146 E HA -0.107 4.241 4.350 -0.002 0.000 0.194 146 E C 2.280 178.670 176.600 -0.350 0.000 0.997 146 E CA 1.929 58.072 56.400 -0.428 0.000 0.801 146 E CB -0.828 28.430 29.700 -0.736 0.000 0.746 146 E HN 0.727 nan 8.360 nan 0.000 0.450 147 G N 0.723 109.354 108.800 -0.281 0.000 2.422 147 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.218 147 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.218 147 G C 1.733 176.523 174.900 -0.183 0.000 1.146 147 G CA 1.439 46.418 45.100 -0.200 0.000 0.769 147 G HN 0.439 nan 8.290 nan 0.000 0.547 148 A N 0.168 122.872 122.820 -0.193 0.000 1.898 148 A HA 0.138 4.456 4.320 -0.002 0.000 0.216 148 A C 2.222 179.686 177.584 -0.201 0.000 1.181 148 A CA 1.192 53.110 52.037 -0.200 0.000 0.620 148 A CB -0.561 18.303 19.000 -0.226 0.000 0.819 148 A HN 0.364 nan 8.150 nan 0.000 0.442 149 F N 0.384 120.109 119.950 -0.375 0.000 2.171 149 F HA -0.082 4.444 4.527 -0.003 0.000 0.300 149 F C 2.526 178.025 175.800 -0.502 0.000 1.090 149 F CA 0.714 58.440 58.000 -0.456 0.000 1.293 149 F CB -0.126 38.513 39.000 -0.600 0.000 1.013 149 F HN 0.349 nan 8.300 nan 0.000 0.486 150 G N -0.466 108.114 108.800 -0.366 0.000 2.418 150 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.217 150 G HA3 -0.268 3.690 3.960 -0.002 0.000 0.217 150 G C 1.766 176.636 174.900 -0.051 0.000 1.158 150 G CA 0.735 45.715 45.100 -0.201 0.000 0.771 150 G HN 0.473 nan 8.290 nan 0.000 0.545 151 A N 0.582 123.351 122.820 -0.086 0.000 1.877 151 A HA 0.056 4.374 4.320 -0.002 0.000 0.216 151 A C 2.452 180.006 177.584 -0.050 0.000 1.186 151 A CA 1.390 53.382 52.037 -0.075 0.000 0.620 151 A CB -0.502 18.429 19.000 -0.114 0.000 0.822 151 A HN 0.348 nan 8.150 nan 0.000 0.443 152 L N -0.851 120.352 121.223 -0.033 0.000 2.042 152 L HA -0.274 4.065 4.340 -0.002 0.000 0.210 152 L C 2.932 179.839 176.870 0.061 0.000 1.076 152 L CA 1.957 56.818 54.840 0.034 0.000 0.749 152 L CB -0.437 41.680 42.059 0.096 0.000 0.893 152 L HN 0.615 nan 8.230 nan 0.000 0.432 153 Q N 0.141 119.972 119.800 0.051 0.000 2.061 153 Q HA -0.299 4.039 4.340 -0.002 0.000 0.204 153 Q C 2.170 178.172 176.000 0.002 0.000 0.984 153 Q CA 1.892 57.706 55.803 0.020 0.000 0.846 153 Q CB 0.044 28.824 28.738 0.070 0.000 0.902 153 Q HN 0.110 nan 8.270 nan 0.000 0.421 154 K N 0.319 120.720 120.400 0.002 0.000 2.148 154 K HA -0.084 4.235 4.320 -0.002 0.000 0.204 154 K C 1.759 178.352 176.600 -0.013 0.000 1.050 154 K CA 0.921 57.198 56.287 -0.016 0.000 0.942 154 K CB -0.169 32.319 32.500 -0.020 0.000 0.724 154 K HN 0.267 nan 8.250 nan 0.000 0.446 155 I N 0.424 120.994 120.570 -0.000 0.000 2.315 155 I HA -0.265 3.904 4.170 -0.002 0.000 0.248 155 I C 2.187 178.335 176.117 0.052 0.000 1.117 155 I CA 0.745 62.052 61.300 0.012 0.000 1.404 155 I CB -1.423 36.578 38.000 0.000 0.000 1.071 155 I HN 0.174 nan 8.210 nan 0.000 0.419 156 C N 0.831 120.181 119.300 0.083 0.000 2.442 156 C HA -0.141 4.318 4.460 -0.002 0.000 0.279 156 C C 2.720 177.683 174.990 -0.044 0.000 1.237 156 C CA 0.549 59.630 59.018 0.106 0.000 1.722 156 C CB -0.965 26.847 27.740 0.121 0.000 2.056 156 C HN 0.508 nan 8.230 nan 0.000 0.469 157 E N 0.936 121.096 120.200 -0.067 0.000 2.086 157 E HA -0.248 4.100 4.350 -0.002 0.000 0.200 157 E C 1.564 178.125 176.600 -0.066 0.000 1.012 157 E CA 1.785 58.131 56.400 -0.090 0.000 0.812 157 E CB -0.221 29.436 29.700 -0.073 0.000 0.743 157 E HN 0.627 nan 8.360 nan 0.000 0.453 158 D N -0.336 120.041 120.400 -0.037 0.000 2.123 158 D HA -0.017 4.622 4.640 -0.002 0.000 0.200 158 D C 0.945 177.238 176.300 -0.012 0.000 0.976 158 D CA 0.952 54.936 54.000 -0.027 0.000 0.831 158 D CB 0.080 40.867 40.800 -0.022 0.000 0.974 158 D HN -0.071 nan 8.370 nan 0.000 0.469 159 S N -0.104 115.602 115.700 0.011 0.000 2.661 159 S HA 0.456 4.924 4.470 -0.002 0.000 0.245 159 S C 1.245 175.901 174.600 0.093 0.000 1.117 159 S CA -0.092 58.133 58.200 0.040 0.000 1.091 159 S CB 1.077 64.303 63.200 0.043 0.000 0.887 159 S HN 0.249 nan 8.310 nan 0.000 0.491 160 A N 2.990 125.847 122.820 0.061 0.000 1.851 160 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 160 A C 2.223 179.933 177.584 0.210 0.000 1.195 160 A CA 1.822 53.939 52.037 0.134 0.000 0.622 160 A CB -0.487 18.392 19.000 -0.203 0.000 0.831 160 A HN 0.576 nan 8.150 nan 0.000 0.444 161 E N 0.455 120.710 120.200 0.092 0.000 2.267 161 E HA -0.167 4.181 4.350 -0.002 0.000 0.197 161 E C 1.687 178.335 176.600 0.079 0.000 0.998 161 E CA 1.531 57.980 56.400 0.082 0.000 0.830 161 E CB -0.533 29.190 29.700 0.038 0.000 0.751 161 E HN 0.686 nan 8.360 nan 0.000 0.491 162 I N 0.112 120.730 120.570 0.079 0.000 2.731 162 I HA -0.066 4.102 4.170 -0.002 0.000 0.260 162 I C 2.386 178.539 176.117 0.060 0.000 1.138 162 I CA 0.163 61.498 61.300 0.058 0.000 1.461 162 I CB 0.045 38.072 38.000 0.045 0.000 1.128 162 I HN -0.009 nan 8.210 nan 0.000 0.438 163 L N 0.243 121.523 121.223 0.095 0.000 2.093 163 L HA -0.200 4.139 4.340 -0.002 0.000 0.208 163 L C 2.178 179.060 176.870 0.020 0.000 1.085 163 L CA 1.161 56.038 54.840 0.061 0.000 0.755 163 L CB -0.519 41.608 42.059 0.113 0.000 0.904 163 L HN 0.239 nan 8.230 nan 0.000 0.435 164 D N -0.234 120.220 120.400 0.089 0.000 2.144 164 D HA -0.111 4.528 4.640 -0.002 0.000 0.200 164 D C 1.378 177.695 176.300 0.028 0.000 0.978 164 D CA 0.480 54.515 54.000 0.058 0.000 0.833 164 D CB 0.115 41.008 40.800 0.156 0.000 0.961 164 D HN 0.096 nan 8.370 nan 0.000 0.470 165 S N -0.236 115.487 115.700 0.038 0.000 2.576 165 S HA -0.066 4.403 4.470 -0.002 0.000 0.272 165 S C 0.695 175.301 174.600 0.009 0.000 1.352 165 S CA -0.263 57.951 58.200 0.023 0.000 1.021 165 S CB 1.009 64.225 63.200 0.028 0.000 0.887 165 S HN 0.089 nan 8.310 nan 0.000 0.542 166 D N 1.464 121.867 120.400 0.005 0.000 2.378 166 D HA -0.053 4.585 4.640 -0.002 0.000 0.227 166 D C 1.652 177.954 176.300 0.003 0.000 1.012 166 D CA 0.893 54.893 54.000 -0.001 0.000 0.905 166 D CB -0.267 40.532 40.800 -0.001 0.000 0.895 166 D HN 0.392 nan 8.370 nan 0.000 0.532 167 V N -1.305 118.614 119.914 0.009 0.000 2.515 167 V HA -0.073 4.045 4.120 -0.002 0.000 0.250 167 V C 1.608 177.711 176.094 0.013 0.000 1.058 167 V CA 0.911 63.220 62.300 0.014 0.000 1.064 167 V CB -0.542 31.292 31.823 0.020 0.000 0.675 167 V HN 0.195 nan 8.190 nan 0.000 0.461 168 L N 1.033 122.261 121.223 0.009 0.000 3.017 168 L HA 0.428 4.766 4.340 -0.002 0.000 0.255 168 L C 0.139 177.004 176.870 -0.008 0.000 1.247 168 L CA 0.735 55.579 54.840 0.006 0.000 1.038 168 L CB -1.217 40.846 42.059 0.007 0.000 1.380 168 L HN 0.703 nan 8.230 nan 0.000 0.548 169 D N 0.585 120.980 120.400 -0.009 0.000 3.913 169 D HA -0.247 4.392 4.640 -0.002 0.000 0.172 169 D C -0.169 176.113 176.300 -0.030 0.000 1.096 169 D CA 1.399 55.388 54.000 -0.019 0.000 1.068 169 D CB -0.364 40.423 40.800 -0.022 0.000 0.590 169 D HN 0.314 nan 8.370 nan 0.000 0.664 170 R N -0.095 120.378 120.500 -0.045 0.000 2.607 170 R HA 0.346 4.684 4.340 -0.002 0.000 0.278 170 R C -1.803 174.442 176.300 -0.091 0.000 1.637 170 R CA -0.846 55.214 56.100 -0.066 0.000 1.325 170 R CB 1.781 32.043 30.300 -0.064 0.000 1.211 170 R HN 0.227 nan 8.270 nan 0.000 0.565 171 P HA -0.059 nan 4.420 nan 0.000 0.236 171 P C 0.798 177.988 177.300 -0.183 0.000 1.177 171 P CA 0.652 63.677 63.100 -0.126 0.000 0.773 171 P CB 0.478 32.113 31.700 -0.108 0.000 0.878 172 L N -0.312 120.780 121.223 -0.218 0.000 2.217 172 L HA -0.026 4.313 4.340 -0.002 0.000 0.211 172 L C 1.980 178.710 176.870 -0.234 0.000 1.107 172 L CA 1.005 55.660 54.840 -0.308 0.000 0.783 172 L CB -1.086 40.704 42.059 -0.448 0.000 0.919 172 L HN 0.000 nan 8.230 nan 0.000 0.442 173 N N -0.129 118.473 118.700 -0.164 0.000 2.585 173 N HA -0.161 4.578 4.740 -0.002 0.000 0.188 173 N C 1.370 176.813 175.510 -0.111 0.000 1.102 173 N CA 0.593 53.576 53.050 -0.111 0.000 0.920 173 N CB 0.276 38.714 38.487 -0.083 0.000 0.963 173 N HN 0.245 nan 8.380 nan 0.000 0.447 174 I N -0.785 119.689 120.570 -0.160 0.000 4.607 174 I HA 0.144 4.312 4.170 -0.002 0.000 0.324 174 I C 1.509 177.460 176.117 -0.277 0.000 1.279 174 I CA 0.273 61.468 61.300 -0.174 0.000 1.286 174 I CB 0.317 38.230 38.000 -0.144 0.000 1.265 174 I HN -0.038 nan 8.210 nan 0.000 0.446 175 M N -0.238 119.136 119.600 -0.376 0.000 2.099 175 M HA -0.137 4.341 4.480 -0.002 0.000 0.262 175 M C 1.933 177.769 176.300 -0.773 0.000 1.067 175 M CA 1.600 56.476 55.300 -0.706 0.000 1.124 175 M CB -0.210 32.001 32.600 -0.649 0.000 1.353 175 M HN 0.100 nan 8.290 nan 0.000 0.410 176 I N 0.813 121.164 120.570 -0.365 0.000 2.076 176 I HA -0.195 3.974 4.170 -0.002 0.000 0.237 176 I C -0.495 175.572 176.117 -0.083 0.000 1.059 176 I CA 1.954 63.186 61.300 -0.114 0.000 1.317 176 I CB -2.809 35.139 38.000 -0.087 0.000 1.037 176 I HN 0.151 nan 8.210 nan 0.000 0.398 177 P HA -0.153 nan 4.420 nan 0.000 0.225 177 P C 1.577 178.815 177.300 -0.103 0.000 1.148 177 P CA 1.302 64.290 63.100 -0.187 0.000 0.779 177 P CB -0.067 31.486 31.700 -0.246 0.000 0.780 178 K N -0.538 119.791 120.400 -0.118 0.000 2.031 178 K HA -0.036 4.283 4.320 -0.002 0.000 0.205 178 K C 1.978 178.737 176.600 0.264 0.000 1.049 178 K CA 1.007 57.281 56.287 -0.023 0.000 0.939 178 K CB -0.701 31.678 32.500 -0.202 0.000 0.717 178 K HN 0.026 nan 8.250 nan 0.000 0.438 179 F N 1.736 121.824 119.950 0.230 0.000 2.134 179 F HA -0.108 4.417 4.527 -0.003 0.000 0.299 179 F C 2.278 178.405 175.800 0.545 0.000 1.097 179 F CA 0.752 59.005 58.000 0.423 0.000 1.264 179 F CB -0.938 38.277 39.000 0.359 0.000 1.001 179 F HN -0.058 nan 8.300 nan 0.000 0.479 180 L N -0.653 120.816 121.223 0.410 0.000 2.131 180 L HA -0.242 4.096 4.340 -0.002 0.000 0.210 180 L C 2.391 179.341 176.870 0.133 0.000 1.092 180 L CA 1.190 56.031 54.840 0.001 0.000 0.759 180 L CB -0.704 41.220 42.059 -0.225 0.000 0.903 180 L HN 0.222 nan 8.230 nan 0.000 0.435 181 Q N -0.773 119.146 119.800 0.199 0.000 2.167 181 Q HA -0.150 4.188 4.340 -0.002 0.000 0.202 181 Q C 2.014 178.101 176.000 0.146 0.000 0.970 181 Q CA 1.337 57.192 55.803 0.087 0.000 0.855 181 Q CB -0.010 28.699 28.738 -0.049 0.000 0.911 181 Q HN 0.443 nan 8.270 nan 0.000 0.438 182 F N -1.000 119.193 119.950 0.404 0.000 2.661 182 F HA -0.024 4.502 4.527 -0.002 0.000 0.298 182 F C 1.372 177.432 175.800 0.434 0.000 1.137 182 F CA 0.428 58.698 58.000 0.451 0.000 1.454 182 F CB -0.113 39.242 39.000 0.590 0.000 1.103 182 F HN 0.041 nan 8.300 nan 0.000 0.577 183 F N 0.731 120.872 119.950 0.319 0.000 2.236 183 F HA -0.255 4.270 4.527 -0.003 0.000 0.302 183 F C 1.903 177.798 175.800 0.158 0.000 1.073 183 F CA 1.188 59.311 58.000 0.205 0.000 1.336 183 F CB -0.380 38.723 39.000 0.171 0.000 1.040 183 F HN -0.083 nan 8.300 nan 0.000 0.507 184 K N -1.220 119.376 120.400 0.326 0.000 2.404 184 K HA -0.012 4.307 4.320 -0.002 0.000 0.194 184 K C 0.238 176.933 176.600 0.158 0.000 1.023 184 K CA -0.127 56.270 56.287 0.182 0.000 1.094 184 K CB -0.217 32.343 32.500 0.100 0.000 0.841 184 K HN 0.178 nan 8.250 nan 0.000 0.523 185 H N 0.842 120.002 119.070 0.151 0.000 2.948 185 H HA -0.053 4.503 4.556 -0.001 0.000 0.351 185 H C 1.357 176.752 175.328 0.112 0.000 1.079 185 H CA 0.558 56.700 56.048 0.157 0.000 1.407 185 H CB 0.947 30.896 29.762 0.312 0.000 1.373 185 H HN 0.071 nan 8.280 nan 0.000 0.605 186 S N 1.637 117.095 115.700 -0.402 0.000 2.447 186 S HA -0.093 4.375 4.470 -0.002 0.000 0.233 186 S C 1.055 175.662 174.600 0.011 0.000 1.006 186 S CA 0.439 58.531 58.200 -0.180 0.000 0.957 186 S CB 0.042 63.094 63.200 -0.248 0.000 0.773 186 S HN 0.421 nan 8.310 nan 0.000 0.507 187 S N 2.577 118.442 115.700 0.274 0.000 2.499 187 S HA 0.415 4.884 4.470 -0.002 0.000 0.279 187 S C -1.461 173.257 174.600 0.197 0.000 1.219 187 S CA -1.894 56.461 58.200 0.259 0.000 1.062 187 S CB 1.229 64.661 63.200 0.386 0.000 0.978 187 S HN 0.117 nan 8.310 nan 0.000 0.489 188 P HA -0.156 nan 4.420 nan 0.000 0.216 188 P C 1.106 178.424 177.300 0.030 0.000 1.150 188 P CA 1.181 64.307 63.100 0.043 0.000 0.843 188 P CB 0.180 31.890 31.700 0.017 0.000 0.787 189 K N -0.618 119.832 120.400 0.083 0.000 2.057 189 K HA -0.081 4.238 4.320 -0.002 0.000 0.206 189 K C 2.169 178.815 176.600 0.077 0.000 1.050 189 K CA 1.027 57.362 56.287 0.079 0.000 0.935 189 K CB -0.304 32.314 32.500 0.197 0.000 0.715 189 K HN -0.077 nan 8.250 nan 0.000 0.439 190 I N 1.403 122.037 120.570 0.106 0.000 2.163 190 I HA -0.241 3.928 4.170 -0.002 0.000 0.240 190 I C 2.222 178.201 176.117 -0.231 0.000 1.081 190 I CA 1.433 62.690 61.300 -0.070 0.000 1.353 190 I CB -1.093 36.840 38.000 -0.112 0.000 1.054 190 I HN 0.239 nan 8.210 nan 0.000 0.407 191 R N 0.352 120.813 120.500 -0.065 0.000 2.103 191 R HA -0.190 4.148 4.340 -0.002 0.000 0.242 191 R C 2.531 178.637 176.300 -0.323 0.000 1.142 191 R CA 1.756 57.771 56.100 -0.140 0.000 0.960 191 R CB -0.556 29.715 30.300 -0.048 0.000 0.858 191 R HN 0.286 nan 8.270 nan 0.000 0.439 192 S N 0.013 115.546 115.700 -0.279 0.000 2.353 192 S HA -0.208 4.261 4.470 -0.002 0.000 0.222 192 S C 1.676 175.997 174.600 -0.464 0.000 1.035 192 S CA 1.574 59.568 58.200 -0.343 0.000 1.025 192 S CB -0.194 62.812 63.200 -0.323 0.000 0.902 192 S HN 0.457 nan 8.310 nan 0.000 0.440 193 H N 0.760 119.507 119.070 -0.538 0.000 2.319 193 H HA 0.018 4.573 4.556 -0.003 0.000 0.299 193 H C 2.383 177.227 175.328 -0.807 0.000 1.092 193 H CA 1.584 57.203 56.048 -0.714 0.000 1.302 193 H CB -0.438 28.689 29.762 -1.058 0.000 1.373 193 H HN 0.476 nan 8.280 nan 0.000 0.497 194 A N 0.248 122.586 122.820 -0.803 0.000 1.883 194 A HA -0.181 4.137 4.320 -0.002 0.000 0.217 194 A C 2.568 179.988 177.584 -0.274 0.000 1.186 194 A CA 1.936 53.744 52.037 -0.380 0.000 0.624 194 A CB -1.073 17.905 19.000 -0.037 0.000 0.822 194 A HN 0.353 nan 8.150 nan 0.000 0.444 195 V N -0.529 119.058 119.914 -0.545 0.000 2.379 195 V HA -0.002 4.117 4.120 -0.002 0.000 0.245 195 V C 2.665 178.691 176.094 -0.114 0.000 1.044 195 V CA 2.070 64.162 62.300 -0.346 0.000 1.036 195 V CB -0.743 30.797 31.823 -0.472 0.000 0.664 195 V HN 0.603 nan 8.190 nan 0.000 0.453 196 A N -0.777 121.916 122.820 -0.211 0.000 1.940 196 A HA -0.264 4.054 4.320 -0.002 0.000 0.219 196 A C 2.332 179.830 177.584 -0.143 0.000 1.176 196 A CA 2.355 54.291 52.037 -0.169 0.000 0.631 196 A CB -1.348 17.517 19.000 -0.225 0.000 0.814 196 A HN 0.692 nan 8.150 nan 0.000 0.446 197 C N -1.528 117.659 119.300 -0.188 0.000 2.453 197 C HA -0.039 4.420 4.460 -0.002 0.000 0.277 197 C C 2.743 177.775 174.990 0.070 0.000 1.262 197 C CA 1.006 59.925 59.018 -0.165 0.000 1.718 197 C CB -1.182 26.170 27.740 -0.646 0.000 2.031 197 C HN 0.470 nan 8.230 nan 0.000 0.480 198 V N 1.939 121.928 119.914 0.125 0.000 2.427 198 V HA -0.177 3.941 4.120 -0.002 0.000 0.248 198 V C 2.085 178.230 176.094 0.086 0.000 1.051 198 V CA 1.929 64.359 62.300 0.216 0.000 1.048 198 V CB -0.787 31.117 31.823 0.134 0.000 0.666 198 V HN 0.505 nan 8.190 nan 0.000 0.456 199 N N 0.264 118.989 118.700 0.041 0.000 2.258 199 N HA -0.190 4.549 4.740 -0.002 0.000 0.187 199 N C 1.820 177.261 175.510 -0.114 0.000 1.012 199 N CA 1.048 54.108 53.050 0.017 0.000 0.870 199 N CB -0.326 38.174 38.487 0.021 0.000 0.977 199 N HN 0.491 nan 8.380 nan 0.000 0.434 200 Q N -0.737 118.873 119.800 -0.316 0.000 2.291 200 Q HA 0.003 4.342 4.340 -0.002 0.000 0.205 200 Q C 0.471 176.047 176.000 -0.706 0.000 0.970 200 Q CA 0.817 56.237 55.803 -0.638 0.000 0.876 200 Q CB -0.106 27.999 28.738 -1.055 0.000 0.935 200 Q HN 0.483 nan 8.270 nan 0.000 0.455 201 F N -1.047 118.900 119.950 -0.005 0.000 2.708 201 F HA 0.283 4.809 4.527 -0.003 0.000 0.300 201 F C 1.524 177.313 175.800 -0.019 0.000 1.118 201 F CA -0.328 57.666 58.000 -0.010 0.000 1.307 201 F CB -0.045 38.951 39.000 -0.006 0.000 0.986 201 F HN -0.088 nan 8.300 nan 0.000 0.522 202 I N -0.233 120.381 120.570 0.074 0.000 2.296 202 I HA -0.157 4.011 4.170 -0.002 0.000 0.242 202 I C 2.179 178.338 176.117 0.069 0.000 1.087 202 I CA 0.697 62.047 61.300 0.083 0.000 1.393 202 I CB -0.110 37.958 38.000 0.112 0.000 1.093 202 I HN 0.029 nan 8.210 nan 0.000 0.421 203 I N 1.134 121.726 120.570 0.037 0.000 2.202 203 I HA -0.212 3.957 4.170 -0.002 0.000 0.242 203 I C 2.740 178.877 176.117 0.033 0.000 1.091 203 I CA 1.724 63.040 61.300 0.026 0.000 1.368 203 I CB -1.431 36.569 38.000 -0.000 0.000 1.058 203 I HN 0.299 nan 8.210 nan 0.000 0.410 204 S N 1.863 117.588 115.700 0.042 0.000 2.595 204 S HA -0.167 4.302 4.470 -0.002 0.000 0.235 204 S C 1.097 175.741 174.600 0.074 0.000 0.974 204 S CA 0.184 58.422 58.200 0.063 0.000 0.942 204 S CB -0.760 62.498 63.200 0.097 0.000 0.766 204 S HN 0.606 nan 8.310 nan 0.000 0.536 205 R N 1.002 121.547 120.500 0.074 0.000 3.184 205 R HA -0.172 4.167 4.340 -0.002 0.000 0.242 205 R C -0.118 176.214 176.300 0.053 0.000 0.907 205 R CA 0.908 57.046 56.100 0.062 0.000 0.618 205 R CB -3.134 27.193 30.300 0.044 0.000 1.016 205 R HN 0.557 nan 8.270 nan 0.000 0.469 206 T N -2.866 111.733 114.554 0.075 0.000 2.928 206 T HA 0.032 4.381 4.350 -0.002 0.000 0.305 206 T C 1.184 175.882 174.700 -0.003 0.000 1.035 206 T CA -0.061 62.060 62.100 0.035 0.000 1.145 206 T CB 1.646 70.528 68.868 0.024 0.000 0.963 206 T HN 0.538 nan 8.240 nan 0.000 0.545 207 Q N 2.111 121.897 119.800 -0.024 0.000 2.170 207 Q HA -0.079 4.260 4.340 -0.002 0.000 0.203 207 Q C 2.625 178.583 176.000 -0.070 0.000 0.976 207 Q CA 1.389 57.164 55.803 -0.046 0.000 0.858 207 Q CB -0.503 28.206 28.738 -0.049 0.000 0.907 207 Q HN 1.003 nan 8.270 nan 0.000 0.433 208 A N 0.327 123.107 122.820 -0.067 0.000 2.032 208 A HA -0.197 4.122 4.320 -0.002 0.000 0.221 208 A C 1.876 179.460 177.584 -0.001 0.000 1.165 208 A CA 1.329 53.332 52.037 -0.057 0.000 0.645 208 A CB -0.289 18.649 19.000 -0.103 0.000 0.807 208 A HN 0.386 nan 8.150 nan 0.000 0.453 209 L N -2.073 119.138 121.223 -0.021 0.000 2.362 209 L HA 0.177 4.516 4.340 -0.002 0.000 0.204 209 L C 2.125 178.999 176.870 0.006 0.000 1.060 209 L CA 1.075 55.913 54.840 -0.003 0.000 0.827 209 L CB -0.353 41.679 42.059 -0.045 0.000 1.027 209 L HN 0.199 nan 8.230 nan 0.000 0.474 210 M N -0.361 119.233 119.600 -0.010 0.000 2.213 210 M HA -0.102 4.377 4.480 -0.002 0.000 0.263 210 M C 1.969 178.245 176.300 -0.041 0.000 1.062 210 M CA 1.484 56.784 55.300 0.000 0.000 1.105 210 M CB -0.992 31.608 32.600 0.001 0.000 1.385 210 M HN 0.253 nan 8.290 nan 0.000 0.417 211 L N -1.485 119.659 121.223 -0.131 0.000 2.599 211 L HA -0.089 4.250 4.340 -0.002 0.000 0.230 211 L C 0.566 177.202 176.870 -0.389 0.000 1.141 211 L CA 0.440 55.132 54.840 -0.248 0.000 0.877 211 L CB -0.600 41.268 42.059 -0.320 0.000 1.009 211 L HN 0.406 nan 8.230 nan 0.000 0.447 212 H N -2.116 116.948 119.070 -0.011 0.000 2.665 212 H HA 0.099 4.654 4.556 -0.002 0.000 0.248 212 H C 1.484 176.830 175.328 0.031 0.000 1.175 212 H CA -0.332 55.710 56.048 -0.010 0.000 0.952 212 H CB 0.909 30.650 29.762 -0.034 0.000 1.883 212 H HN 0.053 nan 8.280 nan 0.000 0.623 213 I N 0.986 121.631 120.570 0.125 0.000 2.208 213 I HA -0.267 3.901 4.170 -0.002 0.000 0.245 213 I C 1.507 177.680 176.117 0.093 0.000 1.097 213 I CA 1.809 63.201 61.300 0.153 0.000 1.363 213 I CB 0.083 38.142 38.000 0.098 0.000 1.051 213 I HN 0.294 nan 8.210 nan 0.000 0.413 214 D N -0.567 119.853 120.400 0.035 0.000 2.117 214 D HA -0.172 4.466 4.640 -0.002 0.000 0.198 214 D C 2.329 178.590 176.300 -0.065 0.000 0.982 214 D CA 1.543 55.520 54.000 -0.037 0.000 0.828 214 D CB -0.428 40.361 40.800 -0.017 0.000 0.967 214 D HN 0.378 nan 8.370 nan 0.000 0.464 215 S N -0.227 115.473 115.700 0.000 0.000 2.370 215 S HA -0.192 4.276 4.470 -0.002 0.000 0.226 215 S C 1.885 176.454 174.600 -0.052 0.000 1.033 215 S CA 0.918 59.100 58.200 -0.030 0.000 1.011 215 S CB -0.523 62.671 63.200 -0.010 0.000 0.852 215 S HN 0.338 nan 8.310 nan 0.000 0.457 216 F N 1.261 121.109 119.950 -0.171 0.000 2.075 216 F HA -0.045 4.481 4.527 -0.002 0.000 0.297 216 F C 1.994 177.672 175.800 -0.203 0.000 1.113 216 F CA 1.689 59.560 58.000 -0.214 0.000 1.218 216 F CB -0.222 38.717 39.000 -0.101 0.000 0.984 216 F HN 0.208 nan 8.300 nan 0.000 0.472 217 I N 0.564 120.877 120.570 -0.428 0.000 2.208 217 I HA -0.308 3.860 4.170 -0.002 0.000 0.245 217 I C 2.469 178.105 176.117 -0.802 0.000 1.097 217 I CA 1.757 62.629 61.300 -0.713 0.000 1.363 217 I CB -0.693 36.921 38.000 -0.644 0.000 1.051 217 I HN 0.331 nan 8.210 nan 0.000 0.413 218 E N 1.288 121.162 120.200 -0.544 0.000 2.033 218 E HA -0.283 4.065 4.350 -0.002 0.000 0.199 218 E C 1.983 178.461 176.600 -0.203 0.000 1.011 218 E CA 1.661 57.834 56.400 -0.377 0.000 0.815 218 E CB -0.026 29.551 29.700 -0.205 0.000 0.755 218 E HN 0.432 nan 8.360 nan 0.000 0.451 219 N N 0.570 119.175 118.700 -0.158 0.000 2.094 219 N HA -0.182 4.556 4.740 -0.002 0.000 0.191 219 N C 1.863 177.424 175.510 0.086 0.000 1.023 219 N CA 0.799 53.838 53.050 -0.019 0.000 0.857 219 N CB -0.424 37.984 38.487 -0.131 0.000 1.013 219 N HN 0.161 nan 8.380 nan 0.000 0.426 220 L N 0.505 121.689 121.223 -0.066 0.000 2.017 220 L HA -0.066 4.272 4.340 -0.002 0.000 0.208 220 L C 1.958 178.863 176.870 0.059 0.000 1.073 220 L CA 1.308 56.125 54.840 -0.038 0.000 0.745 220 L CB -1.004 40.840 42.059 -0.357 0.000 0.894 220 L HN 0.005 nan 8.230 nan 0.000 0.432 221 F N 0.064 119.871 119.950 -0.237 0.000 2.065 221 F HA -0.244 4.282 4.527 -0.003 0.000 0.298 221 F C 2.599 178.288 175.800 -0.186 0.000 1.112 221 F CA 1.019 58.864 58.000 -0.260 0.000 1.212 221 F CB -1.671 37.178 39.000 -0.252 0.000 0.975 221 F HN 0.180 nan 8.300 nan 0.000 0.476 222 A N -0.248 122.634 122.820 0.103 0.000 2.032 222 A HA -0.157 4.161 4.320 -0.002 0.000 0.221 222 A C 2.200 179.804 177.584 0.033 0.000 1.165 222 A CA 1.483 53.553 52.037 0.054 0.000 0.645 222 A CB -0.990 18.048 19.000 0.063 0.000 0.807 222 A HN 0.437 nan 8.150 nan 0.000 0.453 223 L N -1.553 119.692 121.223 0.037 0.000 2.585 223 L HA 0.126 4.465 4.340 -0.002 0.000 0.226 223 L C 2.693 179.548 176.870 -0.024 0.000 1.113 223 L CA 0.418 55.270 54.840 0.020 0.000 0.876 223 L CB -0.329 41.755 42.059 0.041 0.000 1.072 223 L HN 0.388 nan 8.230 nan 0.000 0.468 224 A N 0.911 123.664 122.820 -0.110 0.000 1.917 224 A HA -0.158 4.160 4.320 -0.002 0.000 0.219 224 A C 2.155 179.746 177.584 0.011 0.000 1.182 224 A CA 1.921 53.817 52.037 -0.234 0.000 0.633 224 A CB -0.914 17.623 19.000 -0.771 0.000 0.819 224 A HN 0.421 nan 8.150 nan 0.000 0.448 225 G N -0.860 107.936 108.800 -0.006 0.000 3.026 225 G HA2 0.102 4.061 3.960 -0.002 0.000 0.208 225 G HA3 0.102 4.061 3.960 -0.002 0.000 0.208 225 G C 0.230 175.152 174.900 0.037 0.000 1.169 225 G CA 0.220 45.348 45.100 0.047 0.000 0.788 225 G HN 0.516 nan 8.290 nan 0.000 0.533 226 D N 1.041 121.459 120.400 0.030 0.000 2.455 226 D HA -0.022 4.616 4.640 -0.002 0.000 0.241 226 D C 1.432 177.741 176.300 0.015 0.000 1.138 226 D CA 0.104 54.114 54.000 0.017 0.000 0.877 226 D CB 0.966 41.770 40.800 0.007 0.000 1.187 226 D HN 0.548 nan 8.370 nan 0.000 0.451 227 E N 2.076 122.279 120.200 0.006 0.000 2.385 227 E HA -0.101 4.247 4.350 -0.002 0.000 0.194 227 E C 0.213 176.808 176.600 -0.007 0.000 1.013 227 E CA -0.076 56.325 56.400 0.001 0.000 0.866 227 E CB 0.153 29.852 29.700 -0.001 0.000 0.832 227 E HN 0.212 nan 8.360 nan 0.000 0.500 228 E N 2.369 122.562 120.200 -0.011 0.000 2.166 228 E HA 0.089 4.437 4.350 -0.002 0.000 0.279 228 E C -1.911 174.672 176.600 -0.027 0.000 1.095 228 E CA -2.722 53.667 56.400 -0.020 0.000 0.888 228 E CB 1.314 31.001 29.700 -0.022 0.000 1.041 228 E HN -0.166 nan 8.360 nan 0.000 0.414 229 P HA -0.233 nan 4.420 nan 0.000 0.217 229 P C 0.722 177.995 177.300 -0.046 0.000 1.158 229 P CA 1.284 64.364 63.100 -0.034 0.000 0.887 229 P CB 0.256 31.936 31.700 -0.034 0.000 0.792 230 E N -0.644 119.519 120.200 -0.060 0.000 2.130 230 E HA -0.136 4.213 4.350 -0.002 0.000 0.196 230 E C 2.005 178.546 176.600 -0.098 0.000 0.998 230 E CA 1.126 57.473 56.400 -0.088 0.000 0.806 230 E CB -0.795 28.835 29.700 -0.116 0.000 0.738 230 E HN 0.128 nan 8.360 nan 0.000 0.459 231 V N 1.121 120.984 119.914 -0.085 0.000 2.307 231 V HA -0.225 3.894 4.120 -0.002 0.000 0.245 231 V C 2.424 178.489 176.094 -0.049 0.000 1.045 231 V CA 1.700 63.948 62.300 -0.087 0.000 1.024 231 V CB -0.477 31.304 31.823 -0.070 0.000 0.651 231 V HN 0.182 nan 8.190 nan 0.000 0.449 232 R N 0.204 120.693 120.500 -0.018 0.000 2.081 232 R HA -0.195 4.143 4.340 -0.002 0.000 0.235 232 R C 2.448 178.750 176.300 0.003 0.000 1.131 232 R CA 1.664 57.778 56.100 0.023 0.000 0.960 232 R CB -0.440 29.874 30.300 0.024 0.000 0.856 232 R HN 0.490 nan 8.270 nan 0.000 0.436 233 K N 0.882 121.265 120.400 -0.027 0.000 2.001 233 K HA -0.200 4.119 4.320 -0.002 0.000 0.214 233 K C 1.718 178.302 176.600 -0.027 0.000 1.050 233 K CA 1.804 58.072 56.287 -0.032 0.000 0.934 233 K CB -0.088 32.385 32.500 -0.045 0.000 0.718 233 K HN 0.120 nan 8.250 nan 0.000 0.443 234 N N 0.516 119.188 118.700 -0.046 0.000 2.120 234 N HA -0.138 4.601 4.740 -0.002 0.000 0.188 234 N C 1.937 177.447 175.510 0.000 0.000 1.024 234 N CA 1.200 54.224 53.050 -0.043 0.000 0.852 234 N CB -0.408 38.020 38.487 -0.099 0.000 1.003 234 N HN 0.036 nan 8.380 nan 0.000 0.424 235 V N 1.214 121.128 119.914 0.000 0.000 2.287 235 V HA -0.297 3.821 4.120 -0.002 0.000 0.248 235 V C 2.578 178.693 176.094 0.035 0.000 1.053 235 V CA 1.376 63.689 62.300 0.022 0.000 1.027 235 V CB -0.655 31.179 31.823 0.019 0.000 0.646 235 V HN 0.356 nan 8.190 nan 0.000 0.447 236 C N -0.271 119.054 119.300 0.041 0.000 2.413 236 C HA -0.169 4.289 4.460 -0.002 0.000 0.277 236 C C 2.870 177.873 174.990 0.020 0.000 1.228 236 C CA 1.054 60.080 59.018 0.014 0.000 1.731 236 C CB -1.243 26.483 27.740 -0.022 0.000 2.042 236 C HN 0.503 nan 8.230 nan 0.000 0.468 237 R N 0.996 121.511 120.500 0.025 0.000 2.117 237 R HA -0.187 4.151 4.340 -0.002 0.000 0.243 237 R C 2.302 178.644 176.300 0.071 0.000 1.143 237 R CA 1.789 57.911 56.100 0.037 0.000 0.968 237 R CB -0.588 29.722 30.300 0.017 0.000 0.863 237 R HN 0.615 nan 8.270 nan 0.000 0.444 238 A N 1.084 123.962 122.820 0.097 0.000 1.897 238 A HA -0.080 4.239 4.320 -0.002 0.000 0.215 238 A C 2.217 179.878 177.584 0.129 0.000 1.181 238 A CA 0.936 53.075 52.037 0.171 0.000 0.620 238 A CB -0.400 18.753 19.000 0.254 0.000 0.821 238 A HN 0.153 nan 8.150 nan 0.000 0.443 239 L N -0.560 120.705 121.223 0.070 0.000 2.056 239 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 239 L C 2.540 179.509 176.870 0.165 0.000 1.078 239 L CA 0.962 55.848 54.840 0.076 0.000 0.749 239 L CB -0.588 41.468 42.059 -0.006 0.000 0.901 239 L HN 0.230 nan 8.230 nan 0.000 0.433 240 V N -0.220 119.796 119.914 0.169 0.000 2.282 240 V HA -0.374 3.745 4.120 -0.002 0.000 0.249 240 V C 2.508 178.671 176.094 0.115 0.000 1.057 240 V CA 2.158 64.576 62.300 0.197 0.000 1.032 240 V CB -0.420 31.480 31.823 0.128 0.000 0.645 240 V HN 0.401 nan 8.190 nan 0.000 0.447 241 M N -1.295 118.364 119.600 0.098 0.000 2.132 241 M HA -0.154 4.325 4.480 -0.002 0.000 0.263 241 M C 2.156 178.514 176.300 0.096 0.000 1.065 241 M CA 1.580 56.929 55.300 0.081 0.000 1.122 241 M CB -0.450 32.200 32.600 0.082 0.000 1.365 241 M HN 0.267 nan 8.290 nan 0.000 0.411 242 L N 0.519 121.820 121.223 0.131 0.000 2.189 242 L HA -0.201 4.138 4.340 -0.002 0.000 0.214 242 L C 2.140 179.070 176.870 0.100 0.000 1.097 242 L CA 1.597 56.516 54.840 0.132 0.000 0.764 242 L CB -1.018 41.121 42.059 0.132 0.000 0.900 242 L HN 0.322 nan 8.230 nan 0.000 0.436 243 L N -0.966 120.313 121.223 0.094 0.000 1.989 243 L HA -0.278 4.061 4.340 -0.002 0.000 0.211 243 L C 2.458 179.343 176.870 0.025 0.000 1.071 243 L CA 1.590 56.460 54.840 0.051 0.000 0.749 243 L CB -0.340 41.718 42.059 -0.001 0.000 0.890 243 L HN 0.338 nan 8.230 nan 0.000 0.431 244 E N -1.020 119.192 120.200 0.020 0.000 2.110 244 E HA -0.195 4.154 4.350 -0.002 0.000 0.193 244 E C 2.022 178.635 176.600 0.022 0.000 0.988 244 E CA 1.375 57.781 56.400 0.011 0.000 0.804 244 E CB 0.062 29.766 29.700 0.006 0.000 0.745 244 E HN 0.337 nan 8.360 nan 0.000 0.458 245 V N 0.226 120.164 119.914 0.040 0.000 2.484 245 V HA 0.013 4.131 4.120 -0.002 0.000 0.236 245 V C 1.090 177.213 176.094 0.047 0.000 1.062 245 V CA 0.756 63.082 62.300 0.044 0.000 1.081 245 V CB 0.060 31.917 31.823 0.058 0.000 0.751 245 V HN 0.056 nan 8.190 nan 0.000 0.484 246 R N 0.424 120.962 120.500 0.063 0.000 3.463 246 R HA 0.378 4.716 4.340 -0.002 0.000 0.303 246 R C 1.028 177.365 176.300 0.061 0.000 1.370 246 R CA -0.313 55.825 56.100 0.062 0.000 1.524 246 R CB 0.340 30.686 30.300 0.077 0.000 1.389 246 R HN 0.294 nan 8.270 nan 0.000 0.640 247 M N 1.370 120.999 119.600 0.049 0.000 2.202 247 M HA -0.177 4.302 4.480 -0.002 0.000 0.262 247 M C 1.227 177.558 176.300 0.051 0.000 1.063 247 M CA 1.752 57.081 55.300 0.048 0.000 1.097 247 M CB -0.357 32.261 32.600 0.029 0.000 1.382 247 M HN 0.330 nan 8.290 nan 0.000 0.413 248 D N -0.299 120.126 120.400 0.043 0.000 2.106 248 D HA -0.240 4.398 4.640 -0.002 0.000 0.191 248 D C 1.606 177.937 176.300 0.050 0.000 0.997 248 D CA 1.288 55.311 54.000 0.039 0.000 0.834 248 D CB -0.700 40.118 40.800 0.030 0.000 0.956 248 D HN 0.268 nan 8.370 nan 0.000 0.448 249 R N -0.435 120.101 120.500 0.060 0.000 2.240 249 R HA 0.141 4.479 4.340 -0.002 0.000 0.203 249 R C 2.047 178.426 176.300 0.131 0.000 1.011 249 R CA -0.028 56.116 56.100 0.074 0.000 1.007 249 R CB -0.534 29.796 30.300 0.050 0.000 0.911 249 R HN 0.262 nan 8.270 nan 0.000 0.468 250 L N 0.505 121.805 121.223 0.128 0.000 2.416 250 L HA 0.067 4.406 4.340 -0.002 0.000 0.216 250 L C 1.871 178.857 176.870 0.194 0.000 1.098 250 L CA 0.709 55.660 54.840 0.186 0.000 0.840 250 L CB -0.337 41.809 42.059 0.144 0.000 0.981 250 L HN 0.047 nan 8.230 nan 0.000 0.462 251 L N 1.268 122.559 121.223 0.112 0.000 1.971 251 L HA -0.089 4.250 4.340 -0.002 0.000 0.215 251 L C -0.774 176.111 176.870 0.025 0.000 1.072 251 L CA 1.985 56.860 54.840 0.058 0.000 0.758 251 L CB -1.953 40.126 42.059 0.034 0.000 0.889 251 L HN 0.243 nan 8.230 nan 0.000 0.433 252 P HA 0.050 nan 4.420 nan 0.000 0.254 252 P C 0.078 177.155 177.300 -0.372 0.000 1.631 252 P CA 0.740 63.750 63.100 -0.150 0.000 0.861 252 P CB -0.253 31.339 31.700 -0.179 0.000 1.663 253 H N -2.799 116.332 119.070 0.101 0.000 3.680 253 H HA 0.224 4.779 4.556 -0.002 0.000 0.260 253 H C 1.423 176.782 175.328 0.052 0.000 1.183 253 H CA -0.200 55.917 56.048 0.115 0.000 1.159 253 H CB 0.034 29.949 29.762 0.256 0.000 1.567 253 H HN -0.007 nan 8.280 nan 0.000 0.648 254 M N 1.181 120.837 119.600 0.093 0.000 2.147 254 M HA -0.225 4.254 4.480 -0.002 0.000 0.253 254 M C 1.973 178.267 176.300 -0.009 0.000 1.075 254 M CA 1.876 57.180 55.300 0.007 0.000 1.085 254 M CB -0.708 31.808 32.600 -0.140 0.000 1.305 254 M HN 0.314 nan 8.290 nan 0.000 0.409 255 H N -0.744 118.417 119.070 0.151 0.000 2.389 255 H HA -0.026 4.528 4.556 -0.003 0.000 0.299 255 H C 1.912 177.297 175.328 0.096 0.000 1.081 255 H CA 1.593 57.739 56.048 0.162 0.000 1.345 255 H CB -0.653 29.238 29.762 0.215 0.000 1.393 255 H HN 0.441 nan 8.280 nan 0.000 0.520 256 N N 0.961 119.763 118.700 0.170 0.000 2.120 256 N HA -0.111 4.627 4.740 -0.002 0.000 0.188 256 N C 2.128 177.624 175.510 -0.024 0.000 1.024 256 N CA 0.617 53.697 53.050 0.050 0.000 0.852 256 N CB -0.262 38.211 38.487 -0.023 0.000 1.003 256 N HN 0.281 nan 8.380 nan 0.000 0.424 257 I N 1.070 121.610 120.570 -0.050 0.000 2.127 257 I HA -0.196 3.972 4.170 -0.002 0.000 0.241 257 I C 2.425 178.477 176.117 -0.108 0.000 1.075 257 I CA 1.229 62.457 61.300 -0.119 0.000 1.334 257 I CB -1.312 36.655 38.000 -0.056 0.000 1.040 257 I HN 0.037 nan 8.210 nan 0.000 0.405 258 V N -0.789 119.131 119.914 0.010 0.000 2.759 258 V HA -0.176 3.943 4.120 -0.002 0.000 0.256 258 V C 2.271 178.440 176.094 0.124 0.000 1.080 258 V CA 1.871 64.252 62.300 0.135 0.000 1.101 258 V CB -0.744 31.218 31.823 0.231 0.000 0.698 258 V HN 0.310 nan 8.190 nan 0.000 0.477 259 E N -0.112 120.122 120.200 0.057 0.000 2.107 259 E HA -0.144 4.204 4.350 -0.002 0.000 0.191 259 E C 1.936 178.584 176.600 0.079 0.000 0.982 259 E CA 1.465 57.920 56.400 0.091 0.000 0.809 259 E CB -0.538 29.230 29.700 0.114 0.000 0.756 259 E HN 0.824 nan 8.360 nan 0.000 0.459 260 Y N -0.297 119.951 120.300 -0.087 0.000 2.163 260 Y HA -0.185 4.363 4.550 -0.004 0.000 0.288 260 Y C 1.867 177.685 175.900 -0.137 0.000 1.136 260 Y CA 1.561 59.581 58.100 -0.134 0.000 1.147 260 Y CB 0.039 38.366 38.460 -0.222 0.000 0.987 260 Y HN 0.058 nan 8.280 nan 0.000 0.509 261 M N -0.308 119.142 119.600 -0.250 0.000 2.254 261 M HA -0.146 4.333 4.480 -0.002 0.000 0.265 261 M C 2.257 178.562 176.300 0.008 0.000 1.066 261 M CA 1.253 56.308 55.300 -0.407 0.000 1.123 261 M CB -1.023 31.031 32.600 -0.910 0.000 1.388 261 M HN 0.451 nan 8.290 nan 0.000 0.425 262 L N -0.131 121.268 121.223 0.294 0.000 2.056 262 L HA -0.231 4.107 4.340 -0.002 0.000 0.207 262 L C 2.694 179.624 176.870 0.100 0.000 1.078 262 L CA 1.401 56.458 54.840 0.361 0.000 0.749 262 L CB -0.315 41.876 42.059 0.219 0.000 0.901 262 L HN 0.367 nan 8.230 nan 0.000 0.433 263 Q N -0.670 119.121 119.800 -0.015 0.000 2.084 263 Q HA -0.267 4.072 4.340 -0.002 0.000 0.202 263 Q C 2.226 178.139 176.000 -0.144 0.000 0.978 263 Q CA 1.428 57.183 55.803 -0.080 0.000 0.844 263 Q CB 0.074 28.749 28.738 -0.104 0.000 0.898 263 Q HN 0.175 nan 8.270 nan 0.000 0.426 264 R N -0.334 119.997 120.500 -0.282 0.000 2.189 264 R HA -0.010 4.328 4.340 -0.002 0.000 0.218 264 R C 1.942 178.151 176.300 -0.151 0.000 1.074 264 R CA 1.437 57.338 56.100 -0.332 0.000 0.991 264 R CB -0.526 29.382 30.300 -0.653 0.000 0.883 264 R HN 0.248 nan 8.270 nan 0.000 0.457 265 T N 0.389 114.923 114.554 -0.033 0.000 2.788 265 T HA -0.128 4.221 4.350 -0.002 0.000 0.268 265 T C 1.136 175.846 174.700 0.017 0.000 1.044 265 T CA 1.298 63.440 62.100 0.070 0.000 1.139 265 T CB -0.076 68.965 68.868 0.288 0.000 0.867 265 T HN 0.371 nan 8.240 nan 0.000 0.454 266 Q N 0.754 120.549 119.800 -0.009 0.000 2.280 266 Q HA 0.122 4.460 4.340 -0.002 0.000 0.202 266 Q C 0.222 176.197 176.000 -0.042 0.000 0.903 266 Q CA -0.306 55.482 55.803 -0.025 0.000 0.948 266 Q CB 0.219 28.942 28.738 -0.025 0.000 1.058 266 Q HN 0.425 nan 8.270 nan 0.000 0.493 267 D N 1.493 121.858 120.400 -0.058 0.000 2.478 267 D HA -0.118 4.521 4.640 -0.002 0.000 0.234 267 D C 1.172 177.444 176.300 -0.046 0.000 1.154 267 D CA 0.390 54.352 54.000 -0.063 0.000 0.874 267 D CB 0.968 41.718 40.800 -0.083 0.000 1.198 267 D HN 0.314 nan 8.370 nan 0.000 0.455 268 Q N 2.027 121.802 119.800 -0.040 0.000 2.170 268 Q HA -0.154 4.185 4.340 -0.002 0.000 0.203 268 Q C 0.270 176.252 176.000 -0.031 0.000 0.976 268 Q CA 0.833 56.616 55.803 -0.033 0.000 0.858 268 Q CB 0.062 28.783 28.738 -0.028 0.000 0.907 268 Q HN 0.396 nan 8.270 nan 0.000 0.433 269 D N 1.339 121.719 120.400 -0.034 0.000 2.325 269 D HA 0.030 4.668 4.640 -0.002 0.000 0.251 269 D C 0.232 176.513 176.300 -0.031 0.000 1.196 269 D CA 0.012 53.994 54.000 -0.031 0.000 0.866 269 D CB 1.015 41.796 40.800 -0.032 0.000 1.101 269 D HN 0.184 nan 8.370 nan 0.000 0.476 270 E N 2.670 122.854 120.200 -0.026 0.000 2.108 270 E HA -0.286 4.063 4.350 -0.002 0.000 0.203 270 E C 1.154 177.741 176.600 -0.021 0.000 1.022 270 E CA 1.451 57.836 56.400 -0.025 0.000 0.823 270 E CB 0.185 29.872 29.700 -0.020 0.000 0.744 270 E HN 0.453 nan 8.360 nan 0.000 0.456 271 N N -0.279 118.410 118.700 -0.019 0.000 2.142 271 N HA -0.108 4.630 4.740 -0.002 0.000 0.186 271 N C 1.815 177.315 175.510 -0.016 0.000 1.023 271 N CA 0.796 53.838 53.050 -0.013 0.000 0.852 271 N CB -0.227 38.249 38.487 -0.018 0.000 0.998 271 N HN -0.010 nan 8.380 nan 0.000 0.424 272 V N 1.268 121.164 119.914 -0.029 0.000 2.261 272 V HA -0.204 3.914 4.120 -0.002 0.000 0.246 272 V C 2.378 178.446 176.094 -0.043 0.000 1.047 272 V CA 1.813 64.088 62.300 -0.041 0.000 1.015 272 V CB -1.196 30.594 31.823 -0.056 0.000 0.642 272 V HN 0.295 nan 8.190 nan 0.000 0.446 273 A N 0.374 123.171 122.820 -0.039 0.000 1.869 273 A HA -0.286 4.032 4.320 -0.002 0.000 0.218 273 A C 2.210 179.790 177.584 -0.005 0.000 1.203 273 A CA 2.531 54.552 52.037 -0.026 0.000 0.638 273 A CB -0.858 18.126 19.000 -0.026 0.000 0.831 273 A HN 0.480 nan 8.150 nan 0.000 0.450 274 L N -0.566 120.656 121.223 -0.003 0.000 2.127 274 L HA -0.135 4.203 4.340 -0.002 0.000 0.211 274 L C 2.057 178.963 176.870 0.061 0.000 1.089 274 L CA 2.288 57.139 54.840 0.017 0.000 0.757 274 L CB -0.601 41.468 42.059 0.018 0.000 0.899 274 L HN 0.391 nan 8.230 nan 0.000 0.434 275 E N -0.198 120.024 120.200 0.036 0.000 2.112 275 E HA -0.034 4.315 4.350 -0.002 0.000 0.190 275 E C 2.219 178.821 176.600 0.003 0.000 0.979 275 E CA 1.140 57.562 56.400 0.036 0.000 0.814 275 E CB -0.334 29.372 29.700 0.011 0.000 0.762 275 E HN 0.601 nan 8.360 nan 0.000 0.460 276 A N 0.876 123.669 122.820 -0.045 0.000 1.898 276 A HA -0.188 4.130 4.320 -0.002 0.000 0.216 276 A C 2.530 180.037 177.584 -0.129 0.000 1.181 276 A CA 1.437 53.394 52.037 -0.132 0.000 0.620 276 A CB -1.093 17.816 19.000 -0.153 0.000 0.819 276 A HN 0.405 nan 8.150 nan 0.000 0.442 277 C N -0.137 119.181 119.300 0.030 0.000 2.422 277 C HA -0.089 4.370 4.460 -0.002 0.000 0.279 277 C C 2.532 177.606 174.990 0.141 0.000 1.305 277 C CA 1.322 60.449 59.018 0.182 0.000 1.757 277 C CB -1.310 26.526 27.740 0.159 0.000 1.962 277 C HN 0.615 nan 8.230 nan 0.000 0.499 278 E N -0.364 119.903 120.200 0.111 0.000 2.160 278 E HA -0.212 4.137 4.350 -0.002 0.000 0.195 278 E C 1.737 178.371 176.600 0.057 0.000 0.991 278 E CA 1.174 57.662 56.400 0.146 0.000 0.810 278 E CB -0.576 29.216 29.700 0.153 0.000 0.742 278 E HN 0.837 nan 8.360 nan 0.000 0.466 279 F N 0.164 119.956 119.950 -0.263 0.000 2.161 279 F HA -0.221 4.306 4.527 -0.001 0.000 0.300 279 F C 1.735 177.344 175.800 -0.318 0.000 1.089 279 F CA 1.582 59.334 58.000 -0.412 0.000 1.282 279 F CB -0.455 38.092 39.000 -0.755 0.000 1.010 279 F HN 0.023 nan 8.300 nan 0.000 0.485 280 W N -0.278 121.057 121.300 0.058 0.000 2.436 280 W HA -0.044 4.614 4.660 -0.003 0.000 0.284 280 W C 2.384 178.869 176.519 -0.056 0.000 1.225 280 W CA 0.327 57.651 57.345 -0.034 0.000 1.271 280 W CB -0.505 28.988 29.460 0.054 0.000 1.114 280 W HN 0.000 nan 8.180 nan 0.000 0.559 281 L N 0.140 121.470 121.223 0.179 0.000 2.056 281 L HA -0.160 4.178 4.340 -0.002 0.000 0.207 281 L C 2.164 179.053 176.870 0.031 0.000 1.078 281 L CA 1.596 56.511 54.840 0.125 0.000 0.749 281 L CB -0.694 41.472 42.059 0.179 0.000 0.901 281 L HN -0.033 nan 8.230 nan 0.000 0.433 282 T N 0.141 114.672 114.554 -0.038 0.000 2.857 282 T HA -0.177 4.171 4.350 -0.002 0.000 0.266 282 T C 1.868 176.483 174.700 -0.142 0.000 1.048 282 T CA 0.944 62.991 62.100 -0.087 0.000 1.139 282 T CB -0.107 68.698 68.868 -0.105 0.000 0.874 282 T HN 0.247 nan 8.240 nan 0.000 0.455 283 L N 0.698 121.774 121.223 -0.244 0.000 2.056 283 L HA -0.055 4.284 4.340 -0.002 0.000 0.207 283 L C 2.851 179.661 176.870 -0.099 0.000 1.078 283 L CA 1.228 55.920 54.840 -0.247 0.000 0.749 283 L CB -0.557 41.284 42.059 -0.364 0.000 0.901 283 L HN 0.269 nan 8.230 nan 0.000 0.433 284 A N -0.061 122.734 122.820 -0.041 0.000 1.948 284 A HA -0.237 4.081 4.320 -0.002 0.000 0.220 284 A C 1.971 179.526 177.584 -0.048 0.000 1.177 284 A CA 1.866 53.886 52.037 -0.028 0.000 0.636 284 A CB -0.460 18.547 19.000 0.012 0.000 0.815 284 A HN 0.578 nan 8.150 nan 0.000 0.449 285 E N 0.552 120.728 120.200 -0.041 0.000 2.268 285 E HA -0.090 4.259 4.350 -0.002 0.000 0.195 285 E C 0.120 176.695 176.600 -0.043 0.000 0.995 285 E CA 0.353 56.731 56.400 -0.037 0.000 0.836 285 E CB -0.273 29.411 29.700 -0.028 0.000 0.763 285 E HN 0.653 nan 8.360 nan 0.000 0.491 286 Q N 1.512 121.281 119.800 -0.052 0.000 2.293 286 Q HA 0.100 4.439 4.340 -0.002 0.000 0.251 286 Q C -1.456 174.518 176.000 -0.043 0.000 0.930 286 Q CA -1.691 54.086 55.803 -0.044 0.000 0.893 286 Q CB 0.621 29.330 28.738 -0.049 0.000 1.215 286 Q HN -0.025 nan 8.270 nan 0.000 0.425 287 P HA -0.077 nan 4.420 nan 0.000 0.217 287 P C 0.590 177.875 177.300 -0.025 0.000 1.150 287 P CA 1.072 64.154 63.100 -0.030 0.000 0.832 287 P CB 0.262 31.951 31.700 -0.019 0.000 0.787 288 I N 0.030 120.592 120.570 -0.014 0.000 2.571 288 I HA 0.050 4.219 4.170 -0.002 0.000 0.282 288 I C 1.663 177.783 176.117 0.005 0.000 1.085 288 I CA -0.012 61.288 61.300 0.001 0.000 1.677 288 I CB -1.553 36.452 38.000 0.008 0.000 1.460 288 I HN 0.117 nan 8.210 nan 0.000 0.693 289 C N 1.687 120.982 119.300 -0.008 0.000 2.508 289 C HA 0.086 4.545 4.460 -0.002 0.000 0.407 289 C C 2.617 177.624 174.990 0.028 0.000 1.494 289 C CA 0.244 59.262 59.018 0.000 0.000 2.531 289 C CB -0.047 27.663 27.740 -0.051 0.000 2.480 289 C HN 0.644 nan 8.230 nan 0.000 0.614 290 K N 0.490 120.843 120.400 -0.078 0.000 2.052 290 K HA -0.259 4.060 4.320 -0.002 0.000 0.215 290 K C 0.985 177.700 176.600 0.192 0.000 1.053 290 K CA 2.696 58.929 56.287 -0.089 0.000 0.934 290 K CB -0.285 32.139 32.500 -0.126 0.000 0.717 290 K HN 0.529 nan 8.250 nan 0.000 0.450 291 D N -0.568 119.907 120.400 0.125 0.000 2.349 291 D HA -0.014 4.624 4.640 -0.002 0.000 0.224 291 D C 1.364 177.767 176.300 0.172 0.000 1.029 291 D CA 0.261 54.346 54.000 0.142 0.000 0.879 291 D CB 0.578 41.434 40.800 0.094 0.000 0.906 291 D HN 0.035 nan 8.370 nan 0.000 0.528 292 V N -0.263 119.765 119.914 0.189 0.000 2.627 292 V HA 0.022 4.141 4.120 -0.002 0.000 0.239 292 V C 2.305 178.615 176.094 0.360 0.000 1.077 292 V CA 0.401 62.837 62.300 0.226 0.000 1.103 292 V CB -0.111 31.777 31.823 0.110 0.000 0.802 292 V HN 0.098 nan 8.190 nan 0.000 0.482 293 L N 0.517 121.945 121.223 0.341 0.000 2.005 293 L HA -0.129 4.210 4.340 -0.002 0.000 0.207 293 L C 2.505 179.533 176.870 0.263 0.000 1.072 293 L CA 1.858 56.934 54.840 0.394 0.000 0.744 293 L CB -0.775 41.488 42.059 0.339 0.000 0.895 293 L HN 0.391 nan 8.230 nan 0.000 0.433 294 V N 0.070 120.077 119.914 0.154 0.000 2.408 294 V HA -0.498 3.620 4.120 -0.002 0.000 0.234 294 V C 2.331 178.346 176.094 -0.132 0.000 1.047 294 V CA 2.894 65.141 62.300 -0.089 0.000 1.096 294 V CB -1.770 30.054 31.823 0.001 0.000 0.917 294 V HN 0.770 nan 8.190 nan 0.000 0.479 295 R N 0.926 121.357 120.500 -0.115 0.000 2.341 295 R HA -0.125 4.213 4.340 -0.002 0.000 0.213 295 R C 1.787 177.885 176.300 -0.336 0.000 1.082 295 R CA 2.199 58.155 56.100 -0.240 0.000 1.017 295 R CB -0.690 29.415 30.300 -0.326 0.000 0.860 295 R HN 0.816 nan 8.270 nan 0.000 0.473 296 H N -0.330 118.718 119.070 -0.038 0.000 2.750 296 H HA 0.230 4.785 4.556 -0.003 0.000 0.263 296 H C 1.731 176.962 175.328 -0.162 0.000 0.964 296 H CA 0.146 56.161 56.048 -0.055 0.000 1.205 296 H CB 0.377 30.150 29.762 0.018 0.000 1.454 296 H HN -0.020 nan 8.280 nan 0.000 0.503 297 L N 1.045 122.169 121.223 -0.165 0.000 2.051 297 L HA -0.166 4.172 4.340 -0.002 0.000 0.214 297 L C -0.626 176.078 176.870 -0.278 0.000 1.076 297 L CA 1.431 56.043 54.840 -0.380 0.000 0.758 297 L CB -1.186 40.387 42.059 -0.810 0.000 0.890 297 L HN 0.281 nan 8.230 nan 0.000 0.433 298 P HA -0.153 nan 4.420 nan 0.000 0.225 298 P C 1.288 178.589 177.300 0.003 0.000 1.148 298 P CA 1.360 64.518 63.100 0.098 0.000 0.779 298 P CB 0.073 31.834 31.700 0.102 0.000 0.780 299 K N -1.432 118.944 120.400 -0.040 0.000 2.399 299 K HA 0.165 4.484 4.320 -0.002 0.000 0.196 299 K C 1.784 178.315 176.600 -0.116 0.000 1.117 299 K CA -0.076 56.183 56.287 -0.047 0.000 0.965 299 K CB -0.143 32.355 32.500 -0.003 0.000 0.983 299 K HN 0.015 nan 8.250 nan 0.000 0.531 300 L N 1.282 122.387 121.223 -0.198 0.000 1.988 300 L HA -0.162 4.176 4.340 -0.002 0.000 0.207 300 L C 1.941 178.639 176.870 -0.286 0.000 1.071 300 L CA 0.989 55.605 54.840 -0.373 0.000 0.744 300 L CB -0.227 41.510 42.059 -0.537 0.000 0.893 300 L HN 0.186 nan 8.230 nan 0.000 0.433 301 I N 0.647 121.088 120.570 -0.214 0.000 2.113 301 I HA -0.249 3.920 4.170 -0.002 0.000 0.242 301 I C -0.125 175.926 176.117 -0.110 0.000 1.064 301 I CA 1.979 63.191 61.300 -0.146 0.000 1.320 301 I CB -2.875 35.069 38.000 -0.094 0.000 1.028 301 I HN 0.257 nan 8.210 nan 0.000 0.406 302 P HA -0.043 nan 4.420 nan 0.000 0.217 302 P C 2.265 179.515 177.300 -0.083 0.000 1.151 302 P CA 0.865 63.923 63.100 -0.071 0.000 0.828 302 P CB 0.002 31.670 31.700 -0.053 0.000 0.788 303 V N -0.541 119.313 119.914 -0.101 0.000 2.343 303 V HA -0.209 3.909 4.120 -0.002 0.000 0.247 303 V C 2.380 178.415 176.094 -0.097 0.000 1.051 303 V CA 1.516 63.760 62.300 -0.093 0.000 1.036 303 V CB -1.137 30.626 31.823 -0.100 0.000 0.654 303 V HN 0.040 nan 8.190 nan 0.000 0.451 304 L N -0.336 120.808 121.223 -0.132 0.000 2.056 304 L HA -0.079 4.259 4.340 -0.002 0.000 0.207 304 L C 2.329 179.142 176.870 -0.095 0.000 1.078 304 L CA 1.704 56.476 54.840 -0.113 0.000 0.749 304 L CB -0.539 41.434 42.059 -0.144 0.000 0.901 304 L HN 0.143 nan 8.230 nan 0.000 0.433 305 V N -0.475 119.383 119.914 -0.093 0.000 2.667 305 V HA -0.210 3.909 4.120 -0.002 0.000 0.252 305 V C 2.231 178.265 176.094 -0.100 0.000 1.065 305 V CA 1.487 63.734 62.300 -0.089 0.000 1.083 305 V CB -0.735 31.044 31.823 -0.073 0.000 0.692 305 V HN 0.509 nan 8.190 nan 0.000 0.468 306 N N 1.166 119.810 118.700 -0.094 0.000 2.216 306 N HA -0.070 4.668 4.740 -0.002 0.000 0.183 306 N C 1.831 177.279 175.510 -0.104 0.000 1.017 306 N CA 1.398 54.391 53.050 -0.096 0.000 0.861 306 N CB -0.340 38.100 38.487 -0.079 0.000 0.986 306 N HN 0.383 nan 8.380 nan 0.000 0.428 307 G N -0.388 108.353 108.800 -0.099 0.000 2.534 307 G HA2 -0.114 3.844 3.960 -0.002 0.000 0.217 307 G HA3 -0.114 3.844 3.960 -0.002 0.000 0.217 307 G C 1.314 176.126 174.900 -0.146 0.000 1.128 307 G CA 0.173 45.209 45.100 -0.106 0.000 0.784 307 G HN 0.303 nan 8.290 nan 0.000 0.542 308 M N 0.023 119.527 119.600 -0.159 0.000 2.619 308 M HA 0.142 4.621 4.480 -0.002 0.000 0.251 308 M C 0.611 176.749 176.300 -0.270 0.000 1.106 308 M CA 0.473 55.648 55.300 -0.208 0.000 1.086 308 M CB 0.154 32.647 32.600 -0.177 0.000 1.465 308 M HN -0.026 nan 8.290 nan 0.000 0.506 309 K N 0.050 120.314 120.400 -0.227 0.000 2.295 309 K HA 0.117 4.435 4.320 -0.002 0.000 0.270 309 K C -0.779 175.686 176.600 -0.225 0.000 1.011 309 K CA -0.344 55.799 56.287 -0.241 0.000 0.953 309 K CB 0.418 32.805 32.500 -0.189 0.000 0.956 309 K HN -0.108 nan 8.250 nan 0.000 0.477 310 Y N 1.080 121.281 120.300 -0.165 0.000 2.702 310 Y HA -0.094 4.454 4.550 -0.003 0.000 0.336 310 Y C 1.086 176.913 175.900 -0.121 0.000 1.235 310 Y CA 0.171 58.194 58.100 -0.128 0.000 1.492 310 Y CB 0.397 38.789 38.460 -0.112 0.000 1.308 310 Y HN 0.548 nan 8.280 nan 0.000 0.589 311 S N 1.641 117.405 115.700 0.107 0.000 2.565 311 S HA 0.085 4.554 4.470 -0.002 0.000 0.274 311 S C 0.774 175.397 174.600 0.037 0.000 1.309 311 S CA -0.822 57.399 58.200 0.034 0.000 1.043 311 S CB 0.941 64.148 63.200 0.012 0.000 0.939 311 S HN 0.724 nan 8.310 nan 0.000 0.504 312 D N 1.428 121.831 120.400 0.005 0.000 2.220 312 D HA -0.165 4.474 4.640 -0.002 0.000 0.198 312 D C 1.761 178.065 176.300 0.007 0.000 1.001 312 D CA 1.396 55.397 54.000 0.002 0.000 0.875 312 D CB -0.108 40.689 40.800 -0.005 0.000 0.921 312 D HN 0.575 nan 8.370 nan 0.000 0.454 313 I N 1.395 121.970 120.570 0.008 0.000 2.163 313 I HA -0.187 3.982 4.170 -0.002 0.000 0.240 313 I C 1.947 178.067 176.117 0.005 0.000 1.081 313 I CA 1.192 62.495 61.300 0.006 0.000 1.353 313 I CB -1.425 36.579 38.000 0.006 0.000 1.054 313 I HN -0.104 nan 8.210 nan 0.000 0.407 314 D N 1.393 121.805 120.400 0.020 0.000 2.117 314 D HA -0.131 4.507 4.640 -0.002 0.000 0.197 314 D C 2.447 178.702 176.300 -0.075 0.000 0.987 314 D CA 0.981 54.988 54.000 0.012 0.000 0.829 314 D CB -0.042 40.832 40.800 0.123 0.000 0.961 314 D HN 0.231 nan 8.370 nan 0.000 0.460 315 I N 0.734 121.257 120.570 -0.079 0.000 2.113 315 I HA -0.279 3.890 4.170 -0.002 0.000 0.242 315 I C 2.443 178.540 176.117 -0.033 0.000 1.064 315 I CA 1.103 62.360 61.300 -0.071 0.000 1.320 315 I CB -0.720 37.294 38.000 0.024 0.000 1.028 315 I HN 0.001 nan 8.210 nan 0.000 0.406 316 I N -0.002 120.560 120.570 -0.013 0.000 2.353 316 I HA -0.205 3.963 4.170 -0.002 0.000 0.248 316 I C 2.000 178.105 176.117 -0.020 0.000 1.119 316 I CA 0.836 62.131 61.300 -0.009 0.000 1.417 316 I CB -0.402 37.598 38.000 -0.000 0.000 1.078 316 I HN 0.121 nan 8.210 nan 0.000 0.421 317 L N -0.657 120.552 121.223 -0.024 0.000 2.675 317 L HA 0.051 4.389 4.340 -0.002 0.000 0.238 317 L C 1.086 177.934 176.870 -0.037 0.000 1.155 317 L CA 1.416 56.242 54.840 -0.023 0.000 0.881 317 L CB -0.522 41.530 42.059 -0.012 0.000 1.008 317 L HN 0.150 nan 8.230 nan 0.000 0.443 318 L N -2.599 118.589 121.223 -0.057 0.000 3.821 318 L HA 0.300 4.639 4.340 -0.002 0.000 0.188 318 L C 0.190 177.014 176.870 -0.077 0.000 1.156 318 L CA -0.524 54.270 54.840 -0.076 0.000 0.888 318 L CB 0.058 42.042 42.059 -0.124 0.000 1.614 318 L HN -0.222 nan 8.230 nan 0.000 0.671 372 D N 0.866 121.328 120.400 0.103 0.000 2.117 372 D HA 0.039 4.678 4.640 -0.002 0.000 0.198 372 D C -0.062 176.413 176.300 0.290 0.000 0.982 372 D CA 1.123 55.215 54.000 0.152 0.000 0.828 372 D CB 0.252 41.127 40.800 0.125 0.000 0.967 372 D HN 0.474 nan 8.370 nan 0.000 0.464 373 W N 1.907 123.200 121.300 -0.011 0.000 2.563 373 W HA 0.244 4.902 4.660 -0.003 0.000 0.301 373 W C -0.994 175.518 176.519 -0.011 0.000 1.006 373 W CA -0.797 56.540 57.345 -0.013 0.000 1.382 373 W CB 0.406 29.859 29.460 -0.012 0.000 1.262 373 W HN -0.263 nan 8.180 nan 0.000 0.403 374 N N 2.645 121.161 118.700 -0.308 0.000 2.447 374 N HA 0.136 4.875 4.740 -0.002 0.000 0.271 374 N C 0.935 176.167 175.510 -0.463 0.000 1.226 374 N CA -0.502 52.376 53.050 -0.287 0.000 0.980 374 N CB 0.859 39.220 38.487 -0.210 0.000 1.206 374 N HN 0.445 nan 8.380 nan 0.000 0.558 375 L N 1.135 122.193 121.223 -0.276 0.000 2.017 375 L HA -0.047 4.291 4.340 -0.002 0.000 0.208 375 L C 2.343 179.037 176.870 -0.293 0.000 1.073 375 L CA 1.725 56.418 54.840 -0.245 0.000 0.745 375 L CB -0.420 41.556 42.059 -0.137 0.000 0.894 375 L HN 0.594 nan 8.230 nan 0.000 0.432 376 R N -0.562 119.773 120.500 -0.274 0.000 2.081 376 R HA -0.166 4.173 4.340 -0.002 0.000 0.235 376 R C 2.141 178.234 176.300 -0.345 0.000 1.131 376 R CA 1.307 57.236 56.100 -0.284 0.000 0.960 376 R CB -0.121 30.005 30.300 -0.290 0.000 0.856 376 R HN 0.280 nan 8.270 nan 0.000 0.436 377 K N 0.819 120.955 120.400 -0.439 0.000 1.978 377 K HA -0.213 4.106 4.320 -0.002 0.000 0.214 377 K C 2.257 178.467 176.600 -0.650 0.000 1.049 377 K CA 1.543 57.512 56.287 -0.530 0.000 0.939 377 K CB -1.368 30.752 32.500 -0.634 0.000 0.721 377 K HN 0.328 nan 8.250 nan 0.000 0.441 378 C N 1.577 120.261 119.300 -1.028 0.000 2.401 378 C HA -0.129 4.329 4.460 -0.002 0.000 0.276 378 C C 2.969 177.830 174.990 -0.215 0.000 1.233 378 C CA 1.602 60.221 59.018 -0.666 0.000 1.753 378 C CB -0.997 26.423 27.740 -0.534 0.000 2.029 378 C HN 0.462 nan 8.230 nan 0.000 0.478 379 S N 0.337 115.911 115.700 -0.209 0.000 2.370 379 S HA -0.108 4.361 4.470 -0.002 0.000 0.226 379 S C 2.133 176.684 174.600 -0.083 0.000 1.033 379 S CA 1.608 59.749 58.200 -0.097 0.000 1.011 379 S CB -0.456 62.674 63.200 -0.117 0.000 0.852 379 S HN 0.863 nan 8.310 nan 0.000 0.457 380 A N 1.302 124.044 122.820 -0.129 0.000 1.874 380 A HA 0.331 4.650 4.320 -0.002 0.000 0.214 380 A C 2.362 179.930 177.584 -0.026 0.000 1.189 380 A CA 1.371 53.356 52.037 -0.086 0.000 0.615 380 A CB -1.175 17.744 19.000 -0.135 0.000 0.830 380 A HN 0.485 nan 8.150 nan 0.000 0.443 381 A N 0.325 123.127 122.820 -0.029 0.000 1.903 381 A HA -0.032 4.287 4.320 -0.002 0.000 0.219 381 A C 2.524 180.160 177.584 0.087 0.000 1.191 381 A CA 2.738 54.814 52.037 0.066 0.000 0.638 381 A CB -1.217 17.878 19.000 0.159 0.000 0.823 381 A HN 1.160 nan 8.150 nan 0.000 0.451 382 A N -0.851 122.021 122.820 0.087 0.000 1.883 382 A HA -0.076 4.243 4.320 -0.002 0.000 0.217 382 A C 2.174 179.801 177.584 0.072 0.000 1.186 382 A CA 1.870 53.972 52.037 0.109 0.000 0.624 382 A CB -0.708 18.389 19.000 0.161 0.000 0.822 382 A HN 0.734 nan 8.150 nan 0.000 0.444 383 L N 0.457 121.704 121.223 0.039 0.000 2.012 383 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 383 L C 2.171 179.070 176.870 0.048 0.000 1.073 383 L CA 2.701 57.558 54.840 0.028 0.000 0.748 383 L CB -0.630 41.432 42.059 0.004 0.000 0.891 383 L HN 0.584 nan 8.230 nan 0.000 0.431 384 D N -0.725 119.710 120.400 0.058 0.000 2.103 384 D HA -0.193 4.446 4.640 -0.002 0.000 0.190 384 D C 1.981 178.314 176.300 0.054 0.000 0.997 384 D CA 2.296 56.336 54.000 0.067 0.000 0.833 384 D CB 0.040 40.892 40.800 0.088 0.000 0.961 384 D HN 0.262 nan 8.370 nan 0.000 0.447 385 V N 1.272 121.219 119.914 0.055 0.000 2.490 385 V HA -0.209 3.909 4.120 -0.002 0.000 0.250 385 V C 2.768 178.876 176.094 0.023 0.000 1.061 385 V CA 0.955 63.277 62.300 0.037 0.000 1.064 385 V CB -0.461 31.387 31.823 0.043 0.000 0.670 385 V HN 0.265 nan 8.190 nan 0.000 0.461 386 L N 0.185 121.436 121.223 0.046 0.000 2.072 386 L HA -0.079 4.259 4.340 -0.002 0.000 0.205 386 L C 2.741 179.662 176.870 0.086 0.000 1.079 386 L CA 1.414 56.294 54.840 0.067 0.000 0.752 386 L CB -0.749 41.376 42.059 0.110 0.000 0.906 386 L HN 0.353 nan 8.230 nan 0.000 0.436 387 A N -0.060 122.807 122.820 0.078 0.000 2.076 387 A HA -0.207 4.111 4.320 -0.002 0.000 0.220 387 A C 1.984 179.601 177.584 0.055 0.000 1.160 387 A CA 1.682 53.767 52.037 0.080 0.000 0.653 387 A CB -0.498 18.540 19.000 0.064 0.000 0.801 387 A HN 0.471 nan 8.150 nan 0.000 0.455 388 N N -0.319 118.395 118.700 0.024 0.000 2.333 388 N HA -0.049 4.690 4.740 -0.002 0.000 0.178 388 N C 1.714 177.202 175.510 -0.037 0.000 1.018 388 N CA 1.275 54.325 53.050 -0.001 0.000 0.882 388 N CB -0.121 38.362 38.487 -0.007 0.000 0.984 388 N HN 0.283 nan 8.380 nan 0.000 0.434 389 V N 0.470 120.329 119.914 -0.092 0.000 2.270 389 V HA -0.186 3.932 4.120 -0.002 0.000 0.245 389 V C 1.466 177.407 176.094 -0.254 0.000 1.043 389 V CA 1.491 63.646 62.300 -0.242 0.000 1.014 389 V CB -0.485 31.078 31.823 -0.433 0.000 0.645 389 V HN 0.221 nan 8.190 nan 0.000 0.447 390 Y N -0.229 120.076 120.300 0.008 0.000 2.482 390 Y HA 0.199 4.747 4.550 -0.003 0.000 0.270 390 Y C 1.582 177.495 175.900 0.021 0.000 1.152 390 Y CA -0.651 57.455 58.100 0.011 0.000 1.292 390 Y CB -0.078 38.381 38.460 -0.002 0.000 1.070 390 Y HN 0.178 nan 8.280 nan 0.000 0.528 391 R N -0.097 120.484 120.500 0.134 0.000 3.835 391 R HA -0.302 4.037 4.340 -0.002 0.000 0.455 391 R C 0.745 177.111 176.300 0.110 0.000 0.241 391 R CA 1.562 57.720 56.100 0.096 0.000 1.439 391 R CB -1.585 28.758 30.300 0.072 0.000 0.987 391 R HN 0.260 nan 8.270 nan 0.000 0.570 392 D N 1.338 121.793 120.400 0.092 0.000 2.312 392 D HA -0.077 4.562 4.640 -0.002 0.000 0.211 392 D C 1.585 177.940 176.300 0.091 0.000 0.964 392 D CA 0.776 54.827 54.000 0.085 0.000 0.877 392 D CB -0.216 40.627 40.800 0.071 0.000 0.924 392 D HN 0.446 nan 8.370 nan 0.000 0.515 393 E N 0.393 120.658 120.200 0.109 0.000 2.409 393 E HA -0.133 4.215 4.350 -0.002 0.000 0.198 393 E C 1.864 178.529 176.600 0.108 0.000 1.024 393 E CA 0.077 56.540 56.400 0.105 0.000 0.861 393 E CB 0.098 29.875 29.700 0.129 0.000 0.788 393 E HN 0.151 nan 8.360 nan 0.000 0.521 394 L N 0.176 121.472 121.223 0.121 0.000 2.209 394 L HA -0.022 4.316 4.340 -0.002 0.000 0.207 394 L C 1.987 178.947 176.870 0.149 0.000 1.094 394 L CA 0.742 55.649 54.840 0.113 0.000 0.790 394 L CB -0.048 42.075 42.059 0.106 0.000 0.932 394 L HN 0.140 nan 8.230 nan 0.000 0.447 395 L N 0.117 121.394 121.223 0.090 0.000 2.010 395 L HA -0.249 4.090 4.340 -0.002 0.000 0.219 395 L C -0.281 176.587 176.870 -0.004 0.000 1.077 395 L CA 1.829 56.691 54.840 0.038 0.000 0.773 395 L CB -2.015 40.064 42.059 0.033 0.000 0.892 395 L HN 0.229 nan 8.230 nan 0.000 0.436 396 P HA -0.208 nan 4.420 nan 0.000 0.218 396 P C 0.930 178.069 177.300 -0.269 0.000 1.150 396 P CA 1.752 64.740 63.100 -0.187 0.000 0.841 396 P CB -0.113 31.405 31.700 -0.303 0.000 0.784 397 H N -3.143 115.883 119.070 -0.073 0.000 2.525 397 H HA 0.143 4.697 4.556 -0.003 0.000 0.275 397 H C 1.728 177.012 175.328 -0.073 0.000 0.984 397 H CA 0.482 56.482 56.048 -0.080 0.000 1.264 397 H CB -0.245 29.458 29.762 -0.099 0.000 1.432 397 H HN 0.091 nan 8.280 nan 0.000 0.549 398 I N -0.857 119.737 120.570 0.040 0.000 3.172 398 I HA -0.018 4.151 4.170 -0.002 0.000 0.278 398 I C 1.555 177.641 176.117 -0.051 0.000 1.174 398 I CA 0.325 61.622 61.300 -0.004 0.000 1.445 398 I CB 0.156 38.159 38.000 0.005 0.000 1.175 398 I HN 0.086 nan 8.210 nan 0.000 0.447 399 L N 1.948 123.120 121.223 -0.084 0.000 2.017 399 L HA -0.053 4.286 4.340 -0.002 0.000 0.208 399 L C -0.625 176.164 176.870 -0.136 0.000 1.073 399 L CA 2.438 57.184 54.840 -0.157 0.000 0.745 399 L CB -1.849 40.075 42.059 -0.225 0.000 0.894 399 L HN 0.155 nan 8.230 nan 0.000 0.432 400 P HA -0.096 nan 4.420 nan 0.000 0.226 400 P C 1.780 179.054 177.300 -0.044 0.000 1.153 400 P CA 0.869 63.925 63.100 -0.073 0.000 0.777 400 P CB 0.132 31.790 31.700 -0.069 0.000 0.794 401 L N -1.362 119.835 121.223 -0.043 0.000 2.044 401 L HA -0.075 4.263 4.340 -0.002 0.000 0.205 401 L C 2.402 179.261 176.870 -0.018 0.000 1.075 401 L CA 1.486 56.310 54.840 -0.027 0.000 0.747 401 L CB -1.369 40.670 42.059 -0.032 0.000 0.903 401 L HN -0.109 nan 8.230 nan 0.000 0.435 402 L N -0.799 120.401 121.223 -0.038 0.000 2.043 402 L HA -0.296 4.043 4.340 -0.002 0.000 0.212 402 L C 2.709 179.581 176.870 0.004 0.000 1.075 402 L CA 1.250 56.065 54.840 -0.040 0.000 0.752 402 L CB -0.642 41.372 42.059 -0.075 0.000 0.891 402 L HN 0.268 nan 8.230 nan 0.000 0.432 403 K N 0.034 120.453 120.400 0.031 0.000 2.034 403 K HA -0.295 4.024 4.320 -0.002 0.000 0.214 403 K C 2.012 178.741 176.600 0.215 0.000 1.051 403 K CA 2.158 58.526 56.287 0.135 0.000 0.931 403 K CB -0.285 32.242 32.500 0.045 0.000 0.715 403 K HN 0.415 nan 8.250 nan 0.000 0.446 404 E N 0.531 120.802 120.200 0.118 0.000 2.152 404 E HA -0.129 4.220 4.350 -0.002 0.000 0.192 404 E C 2.159 178.865 176.600 0.176 0.000 0.983 404 E CA 0.510 56.991 56.400 0.135 0.000 0.818 404 E CB 0.105 29.858 29.700 0.089 0.000 0.758 404 E HN 0.236 nan 8.360 nan 0.000 0.467 405 L N 0.307 121.589 121.223 0.099 0.000 2.068 405 L HA -0.078 4.260 4.340 -0.002 0.000 0.204 405 L C 2.496 179.372 176.870 0.010 0.000 1.076 405 L CA 0.548 55.420 54.840 0.053 0.000 0.753 405 L CB -0.250 41.796 42.059 -0.021 0.000 0.910 405 L HN 0.137 nan 8.230 nan 0.000 0.439 406 L N -1.093 120.048 121.223 -0.136 0.000 2.549 406 L HA -0.133 4.205 4.340 -0.002 0.000 0.229 406 L C 1.216 177.762 176.870 -0.541 0.000 1.158 406 L CA 0.998 55.613 54.840 -0.374 0.000 0.842 406 L CB -0.159 41.547 42.059 -0.588 0.000 0.952 406 L HN 0.210 nan 8.230 nan 0.000 0.452 407 F N -3.737 116.258 119.950 0.075 0.000 2.746 407 F HA 0.212 4.738 4.527 -0.003 0.000 0.320 407 F C 1.231 176.992 175.800 -0.066 0.000 1.097 407 F CA -0.756 57.239 58.000 -0.009 0.000 1.195 407 F CB -0.206 38.729 39.000 -0.108 0.000 1.056 407 F HN -0.051 nan 8.300 nan 0.000 0.562 408 H N 1.442 120.541 119.070 0.048 0.000 3.001 408 H HA -0.038 4.516 4.556 -0.002 0.000 0.334 408 H C 1.124 176.471 175.328 0.031 0.000 1.034 408 H CA 1.061 57.120 56.048 0.019 0.000 1.420 408 H CB 0.595 30.372 29.762 0.024 0.000 1.405 408 H HN 0.162 nan 8.280 nan 0.000 0.593 409 H N 3.308 122.415 119.070 0.061 0.000 2.502 409 H HA -0.005 4.549 4.556 -0.003 0.000 0.283 409 H C 0.085 175.553 175.328 0.234 0.000 1.015 409 H CA 0.549 56.673 56.048 0.126 0.000 1.298 409 H CB 0.519 30.294 29.762 0.021 0.000 1.411 409 H HN 0.631 nan 8.280 nan 0.000 0.556 410 E N 1.616 122.118 120.200 0.503 0.000 2.229 410 E HA -0.037 4.312 4.350 -0.002 0.000 0.283 410 E C 1.012 177.721 176.600 0.182 0.000 1.030 410 E CA -0.534 56.035 56.400 0.281 0.000 0.836 410 E CB 0.658 30.446 29.700 0.147 0.000 1.068 410 E HN 0.450 nan 8.360 nan 0.000 0.401 411 W N 4.218 125.590 121.300 0.121 0.000 2.374 411 W HA -0.164 4.495 4.660 -0.002 0.000 0.288 411 W C 0.661 177.219 176.519 0.064 0.000 1.218 411 W CA 0.608 58.005 57.345 0.088 0.000 1.245 411 W CB -0.706 28.797 29.460 0.071 0.000 1.126 411 W HN 0.283 nan 8.180 nan 0.000 0.545 412 V N 2.160 121.441 119.914 -1.056 0.000 2.392 412 V HA -0.328 3.791 4.120 -0.002 0.000 0.249 412 V C 2.616 178.458 176.094 -0.420 0.000 1.059 412 V CA 2.147 63.824 62.300 -1.038 0.000 1.051 412 V CB -1.254 29.996 31.823 -0.954 0.000 0.658 412 V HN 0.110 nan 8.190 nan 0.000 0.455 413 V N -0.236 119.474 119.914 -0.341 0.000 2.244 413 V HA -0.269 3.850 4.120 -0.002 0.000 0.244 413 V C 2.388 178.397 176.094 -0.142 0.000 1.042 413 V CA 2.269 64.388 62.300 -0.302 0.000 1.006 413 V CB -0.773 30.683 31.823 -0.611 0.000 0.641 413 V HN 0.475 nan 8.190 nan 0.000 0.446 414 K N -0.090 120.294 120.400 -0.026 0.000 2.059 414 K HA -0.297 4.022 4.320 -0.002 0.000 0.212 414 K C 2.379 179.004 176.600 0.041 0.000 1.050 414 K CA 2.074 58.388 56.287 0.045 0.000 0.927 414 K CB -0.283 32.295 32.500 0.129 0.000 0.714 414 K HN 0.432 nan 8.250 nan 0.000 0.447 415 E N 0.613 120.874 120.200 0.101 0.000 2.065 415 E HA -0.224 4.125 4.350 -0.002 0.000 0.201 415 E C 1.938 178.544 176.600 0.010 0.000 1.016 415 E CA 2.094 58.574 56.400 0.133 0.000 0.818 415 E CB -0.227 29.645 29.700 0.287 0.000 0.749 415 E HN 0.460 nan 8.360 nan 0.000 0.453 416 S N -0.572 115.084 115.700 -0.073 0.000 2.383 416 S HA -0.066 4.402 4.470 -0.002 0.000 0.227 416 S C 2.219 176.772 174.600 -0.078 0.000 1.026 416 S CA 1.327 59.451 58.200 -0.127 0.000 0.981 416 S CB -0.821 62.274 63.200 -0.175 0.000 0.818 416 S HN 0.333 nan 8.310 nan 0.000 0.472 417 G N 2.384 111.148 108.800 -0.061 0.000 2.459 417 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.217 417 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.217 417 G C 1.435 176.326 174.900 -0.014 0.000 1.183 417 G CA 1.086 46.159 45.100 -0.044 0.000 0.776 417 G HN 0.559 nan 8.290 nan 0.000 0.552 418 I N 0.334 120.905 120.570 0.002 0.000 2.151 418 I HA -0.193 3.975 4.170 -0.002 0.000 0.243 418 I C 2.622 178.805 176.117 0.111 0.000 1.080 418 I CA 0.951 62.279 61.300 0.047 0.000 1.339 418 I CB -0.341 37.693 38.000 0.057 0.000 1.039 418 I HN 0.196 nan 8.210 nan 0.000 0.409 419 L N 0.603 121.866 121.223 0.066 0.000 2.083 419 L HA -0.138 4.200 4.340 -0.002 0.000 0.209 419 L C 2.336 179.272 176.870 0.110 0.000 1.083 419 L CA 1.703 56.583 54.840 0.066 0.000 0.752 419 L CB -0.570 41.425 42.059 -0.107 0.000 0.899 419 L HN -0.031 nan 8.230 nan 0.000 0.433 420 V N -0.407 119.536 119.914 0.048 0.000 2.261 420 V HA -0.310 3.809 4.120 -0.002 0.000 0.246 420 V C 2.613 178.768 176.094 0.102 0.000 1.047 420 V CA 1.991 64.319 62.300 0.046 0.000 1.015 420 V CB -0.575 31.247 31.823 -0.000 0.000 0.642 420 V HN 0.503 nan 8.190 nan 0.000 0.446 421 L N 0.157 121.442 121.223 0.104 0.000 2.089 421 L HA -0.202 4.137 4.340 -0.002 0.000 0.213 421 L C 2.328 179.346 176.870 0.247 0.000 1.079 421 L CA 1.958 56.883 54.840 0.143 0.000 0.758 421 L CB -0.714 41.403 42.059 0.097 0.000 0.891 421 L HN 0.478 nan 8.230 nan 0.000 0.433 422 G N -1.598 107.367 108.800 0.274 0.000 2.394 422 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.214 422 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.214 422 G C 1.638 176.636 174.900 0.163 0.000 1.176 422 G CA 0.588 45.808 45.100 0.199 0.000 0.786 422 G HN 0.527 nan 8.290 nan 0.000 0.533 423 A N 1.443 124.455 122.820 0.321 0.000 1.902 423 A HA -0.006 4.312 4.320 -0.002 0.000 0.217 423 A C 2.357 180.004 177.584 0.104 0.000 1.181 423 A CA 1.498 53.680 52.037 0.241 0.000 0.623 423 A CB -0.499 18.597 19.000 0.160 0.000 0.818 423 A HN 0.740 nan 8.150 nan 0.000 0.443 424 I N -3.217 117.406 120.570 0.088 0.000 3.444 424 I HA 0.205 4.374 4.170 -0.002 0.000 0.287 424 I C 2.021 178.165 176.117 0.046 0.000 1.302 424 I CA 0.735 62.075 61.300 0.068 0.000 1.368 424 I CB -0.376 37.670 38.000 0.075 0.000 1.048 424 I HN 0.155 nan 8.210 nan 0.000 0.487 425 A N 1.586 124.385 122.820 -0.035 0.000 1.933 425 A HA -0.221 4.097 4.320 -0.002 0.000 0.218 425 A C 2.401 179.887 177.584 -0.164 0.000 1.175 425 A CA 1.960 53.866 52.037 -0.219 0.000 0.628 425 A CB -0.515 18.008 19.000 -0.795 0.000 0.814 425 A HN 0.635 nan 8.150 nan 0.000 0.444 426 E N -0.914 119.216 120.200 -0.116 0.000 2.016 426 E HA -0.064 4.284 4.350 -0.002 0.000 0.190 426 E C 2.107 178.695 176.600 -0.020 0.000 0.985 426 E CA 0.861 57.215 56.400 -0.077 0.000 0.802 426 E CB -0.331 29.334 29.700 -0.058 0.000 0.762 426 E HN 0.499 nan 8.360 nan 0.000 0.448 427 G N -0.383 108.419 108.800 0.004 0.000 2.464 427 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.217 427 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.217 427 G C 1.219 176.146 174.900 0.045 0.000 1.138 427 G CA 0.753 45.868 45.100 0.025 0.000 0.793 427 G HN 0.360 nan 8.290 nan 0.000 0.539 428 C N 0.498 119.831 119.300 0.055 0.000 2.668 428 C HA 0.389 4.847 4.460 -0.002 0.000 0.301 428 C C 2.112 177.156 174.990 0.090 0.000 1.351 428 C CA -0.573 58.490 59.018 0.075 0.000 1.757 428 C CB -0.652 27.137 27.740 0.081 0.000 2.179 428 C HN 0.417 nan 8.230 nan 0.000 0.586 429 M N 1.828 121.476 119.600 0.080 0.000 2.080 429 M HA -0.166 4.313 4.480 -0.002 0.000 0.260 429 M C 2.255 178.607 176.300 0.087 0.000 1.068 429 M CA 2.082 57.447 55.300 0.108 0.000 1.109 429 M CB -0.409 32.239 32.600 0.080 0.000 1.342 429 M HN 0.253 nan 8.290 nan 0.000 0.405 430 Q N -0.557 119.286 119.800 0.071 0.000 2.079 430 Q HA 0.058 4.397 4.340 -0.002 0.000 0.200 430 Q C 2.195 178.220 176.000 0.041 0.000 0.974 430 Q CA 1.843 57.681 55.803 0.058 0.000 0.840 430 Q CB -1.439 27.333 28.738 0.056 0.000 0.898 430 Q HN 0.679 nan 8.270 nan 0.000 0.430 431 G N -0.115 108.719 108.800 0.056 0.000 2.534 431 G HA2 -0.140 3.818 3.960 -0.002 0.000 0.217 431 G HA3 -0.140 3.818 3.960 -0.002 0.000 0.217 431 G C 1.299 176.263 174.900 0.107 0.000 1.128 431 G CA 0.258 45.402 45.100 0.073 0.000 0.784 431 G HN 0.143 nan 8.290 nan 0.000 0.542 432 M N 0.205 119.847 119.600 0.070 0.000 2.447 432 M HA 0.258 4.736 4.480 -0.002 0.000 0.264 432 M C 2.424 178.656 176.300 -0.112 0.000 1.095 432 M CA 0.221 55.554 55.300 0.056 0.000 1.125 432 M CB -0.554 32.047 32.600 0.001 0.000 1.389 432 M HN 0.225 nan 8.290 nan 0.000 0.459 433 I N 1.040 121.494 120.570 -0.194 0.000 2.185 433 I HA -0.285 3.883 4.170 -0.002 0.000 0.246 433 I C -0.656 175.242 176.117 -0.364 0.000 1.088 433 I CA 1.664 62.748 61.300 -0.360 0.000 1.347 433 I CB -1.926 36.004 38.000 -0.117 0.000 1.041 433 I HN 0.181 nan 8.210 nan 0.000 0.415 434 P HA -0.128 nan 4.420 nan 0.000 0.226 434 P C 0.909 177.865 177.300 -0.572 0.000 1.153 434 P CA 1.485 64.295 63.100 -0.483 0.000 0.777 434 P CB -0.097 31.191 31.700 -0.686 0.000 0.794 435 Y N -1.720 118.452 120.300 -0.212 0.000 2.458 435 Y HA 0.184 4.733 4.550 -0.002 0.000 0.254 435 Y C 2.131 177.853 175.900 -0.297 0.000 1.120 435 Y CA -0.135 57.848 58.100 -0.195 0.000 1.282 435 Y CB -0.746 37.618 38.460 -0.161 0.000 1.109 435 Y HN -0.214 nan 8.280 nan 0.000 0.526 436 L N 0.600 121.562 121.223 -0.434 0.000 2.079 436 L HA -0.144 4.195 4.340 -0.002 0.000 0.210 436 L C -0.631 175.939 176.870 -0.501 0.000 1.081 436 L CA 1.136 55.516 54.840 -0.766 0.000 0.752 436 L CB -1.643 39.400 42.059 -1.693 0.000 0.896 436 L HN 0.148 nan 8.230 nan 0.000 0.433 437 P HA -0.180 nan 4.420 nan 0.000 0.217 437 P C 1.035 178.442 177.300 0.179 0.000 1.148 437 P CA 1.333 64.533 63.100 0.167 0.000 0.828 437 P CB 0.108 31.935 31.700 0.213 0.000 0.783 438 E N -1.111 119.138 120.200 0.082 0.000 2.102 438 E HA 0.014 4.362 4.350 -0.002 0.000 0.190 438 E C 1.998 178.678 176.600 0.133 0.000 0.971 438 E CA 0.604 57.075 56.400 0.119 0.000 0.821 438 E CB -0.984 28.782 29.700 0.110 0.000 0.777 438 E HN 0.155 nan 8.360 nan 0.000 0.460 439 L N 0.703 121.953 121.223 0.044 0.000 2.027 439 L HA -0.133 4.205 4.340 -0.002 0.000 0.206 439 L C 2.166 179.053 176.870 0.028 0.000 1.074 439 L CA 0.626 55.481 54.840 0.026 0.000 0.745 439 L CB -0.360 41.620 42.059 -0.131 0.000 0.898 439 L HN 0.185 nan 8.230 nan 0.000 0.433 440 I N 0.220 120.767 120.570 -0.040 0.000 2.127 440 I HA -0.183 3.986 4.170 -0.002 0.000 0.241 440 I C -0.054 176.168 176.117 0.175 0.000 1.075 440 I CA 1.886 63.206 61.300 0.034 0.000 1.334 440 I CB -2.531 35.468 38.000 -0.002 0.000 1.040 440 I HN 0.184 nan 8.210 nan 0.000 0.405 441 P HA -0.154 nan 4.420 nan 0.000 0.220 441 P C 1.653 179.079 177.300 0.209 0.000 1.148 441 P CA 1.451 64.698 63.100 0.245 0.000 0.803 441 P CB -0.163 31.686 31.700 0.249 0.000 0.782 442 H N 0.085 119.220 119.070 0.108 0.000 2.321 442 H HA -0.057 4.498 4.556 -0.002 0.000 0.300 442 H C 1.713 177.074 175.328 0.055 0.000 1.087 442 H CA 1.505 57.607 56.048 0.090 0.000 1.319 442 H CB -1.119 28.695 29.762 0.087 0.000 1.379 442 H HN -0.020 nan 8.280 nan 0.000 0.501 443 L N -0.326 120.817 121.223 -0.134 0.000 2.056 443 L HA -0.119 4.220 4.340 -0.002 0.000 0.207 443 L C 2.599 179.437 176.870 -0.052 0.000 1.078 443 L CA 1.211 55.950 54.840 -0.169 0.000 0.749 443 L CB -0.419 41.602 42.059 -0.063 0.000 0.901 443 L HN 0.275 nan 8.230 nan 0.000 0.433 444 I N -0.273 120.316 120.570 0.032 0.000 2.335 444 I HA -0.312 3.856 4.170 -0.002 0.000 0.251 444 I C 2.655 178.803 176.117 0.052 0.000 1.129 444 I CA 1.097 62.437 61.300 0.066 0.000 1.402 444 I CB -0.152 37.914 38.000 0.110 0.000 1.069 444 I HN 0.342 nan 8.210 nan 0.000 0.424 445 Q N 0.258 120.084 119.800 0.044 0.000 2.123 445 Q HA -0.137 4.201 4.340 -0.002 0.000 0.199 445 Q C 2.307 178.315 176.000 0.013 0.000 0.966 445 Q CA 1.673 57.508 55.803 0.053 0.000 0.845 445 Q CB -0.251 28.555 28.738 0.114 0.000 0.907 445 Q HN 0.508 nan 8.270 nan 0.000 0.439 446 C N -0.010 119.250 119.300 -0.067 0.000 2.419 446 C HA -0.032 4.427 4.460 -0.002 0.000 0.281 446 C C 2.343 177.327 174.990 -0.011 0.000 1.336 446 C CA 0.293 59.268 59.018 -0.072 0.000 1.770 446 C CB -1.160 26.473 27.740 -0.178 0.000 1.929 446 C HN 0.527 nan 8.230 nan 0.000 0.509 447 L N 0.754 121.981 121.223 0.007 0.000 2.189 447 L HA -0.157 4.181 4.340 -0.002 0.000 0.214 447 L C 2.210 179.097 176.870 0.028 0.000 1.097 447 L CA 1.362 56.221 54.840 0.031 0.000 0.764 447 L CB -0.402 41.686 42.059 0.048 0.000 0.900 447 L HN 0.287 nan 8.230 nan 0.000 0.436 448 S N -1.720 113.997 115.700 0.028 0.000 2.605 448 S HA -0.009 4.460 4.470 -0.002 0.000 0.217 448 S C 0.562 175.175 174.600 0.021 0.000 0.958 448 S CA -0.299 57.917 58.200 0.027 0.000 0.919 448 S CB -0.411 62.810 63.200 0.035 0.000 0.780 448 S HN 0.368 nan 8.310 nan 0.000 0.507 449 D N 2.453 122.864 120.400 0.018 0.000 2.423 449 D HA -0.025 4.614 4.640 -0.002 0.000 0.238 449 D C 1.139 177.430 176.300 -0.014 0.000 1.142 449 D CA 0.234 54.244 54.000 0.016 0.000 0.884 449 D CB 0.845 41.660 40.800 0.026 0.000 1.199 449 D HN 0.309 nan 8.370 nan 0.000 0.438 450 K N 2.702 123.088 120.400 -0.024 0.000 2.148 450 K HA -0.043 4.275 4.320 -0.002 0.000 0.204 450 K C 0.506 177.031 176.600 -0.127 0.000 1.050 450 K CA 0.576 56.829 56.287 -0.058 0.000 0.942 450 K CB 0.125 32.598 32.500 -0.044 0.000 0.724 450 K HN 0.126 nan 8.250 nan 0.000 0.446 451 K N 1.338 121.622 120.400 -0.193 0.000 2.383 451 K HA 0.132 4.451 4.320 -0.002 0.000 0.286 451 K C 0.873 177.311 176.600 -0.270 0.000 1.051 451 K CA 0.379 56.439 56.287 -0.378 0.000 0.974 451 K CB 1.436 33.509 32.500 -0.711 0.000 0.968 451 K HN 0.261 nan 8.250 nan 0.000 0.475 452 A N 4.498 127.165 122.820 -0.254 0.000 1.908 452 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 452 A C 1.989 179.510 177.584 -0.105 0.000 1.181 452 A CA 1.366 53.316 52.037 -0.145 0.000 0.627 452 A CB -0.354 18.570 19.000 -0.126 0.000 0.818 452 A HN 0.719 nan 8.150 nan 0.000 0.445 453 L N -0.580 120.545 121.223 -0.164 0.000 2.201 453 L HA -0.117 4.221 4.340 -0.002 0.000 0.212 453 L C 2.401 179.347 176.870 0.126 0.000 1.105 453 L CA 0.588 55.429 54.840 0.002 0.000 0.775 453 L CB -0.370 41.716 42.059 0.045 0.000 0.913 453 L HN 0.248 nan 8.230 nan 0.000 0.440 454 V N -0.173 119.784 119.914 0.071 0.000 2.358 454 V HA -0.236 3.883 4.120 -0.002 0.000 0.246 454 V C 2.571 178.712 176.094 0.079 0.000 1.047 454 V CA 1.586 63.967 62.300 0.135 0.000 1.035 454 V CB -0.597 31.301 31.823 0.125 0.000 0.658 454 V HN 0.435 nan 8.190 nan 0.000 0.452 455 R N 0.888 121.409 120.500 0.035 0.000 2.096 455 R HA -0.143 4.196 4.340 -0.002 0.000 0.235 455 R C 2.626 178.969 176.300 0.071 0.000 1.127 455 R CA 1.755 57.879 56.100 0.041 0.000 0.968 455 R CB -0.632 29.679 30.300 0.018 0.000 0.861 455 R HN 0.704 nan 8.270 nan 0.000 0.440 456 S N 1.563 117.308 115.700 0.075 0.000 2.355 456 S HA -0.121 4.348 4.470 -0.002 0.000 0.222 456 S C 2.121 176.807 174.600 0.142 0.000 1.031 456 S CA 1.173 59.430 58.200 0.095 0.000 0.993 456 S CB -0.434 62.808 63.200 0.070 0.000 0.859 456 S HN 0.251 nan 8.310 nan 0.000 0.453 457 I N 2.229 122.888 120.570 0.148 0.000 2.394 457 I HA -0.046 4.123 4.170 -0.002 0.000 0.251 457 I C 2.461 178.735 176.117 0.262 0.000 1.136 457 I CA 1.362 62.785 61.300 0.204 0.000 1.425 457 I CB -1.913 36.175 38.000 0.148 0.000 1.079 457 I HN 0.183 nan 8.210 nan 0.000 0.425 458 T N 0.455 115.109 114.554 0.167 0.000 2.665 458 T HA -0.226 4.122 4.350 -0.002 0.000 0.268 458 T C 2.085 176.872 174.700 0.145 0.000 1.035 458 T CA 1.969 64.145 62.100 0.127 0.000 1.151 458 T CB -0.913 67.994 68.868 0.065 0.000 0.862 458 T HN 0.475 nan 8.240 nan 0.000 0.438 459 C N 0.004 119.399 119.300 0.157 0.000 2.393 459 C HA -0.124 4.334 4.460 -0.002 0.000 0.276 459 C C 2.428 177.532 174.990 0.189 0.000 1.215 459 C CA 0.288 59.402 59.018 0.161 0.000 1.743 459 C CB -1.416 26.421 27.740 0.162 0.000 2.044 459 C HN 0.816 nan 8.230 nan 0.000 0.464 460 W N 1.413 122.741 121.300 0.046 0.000 2.381 460 W HA -0.136 4.523 4.660 -0.002 0.000 0.301 460 W C 2.407 178.943 176.519 0.029 0.000 1.205 460 W CA 2.107 59.471 57.345 0.032 0.000 1.285 460 W CB -0.584 28.891 29.460 0.025 0.000 1.133 460 W HN 0.199 nan 8.180 nan 0.000 0.521 461 T N 1.639 116.310 114.554 0.194 0.000 2.708 461 T HA -0.226 4.122 4.350 -0.002 0.000 0.266 461 T C 1.901 176.583 174.700 -0.031 0.000 1.037 461 T CA 1.916 64.018 62.100 0.004 0.000 1.146 461 T CB -0.689 68.317 68.868 0.230 0.000 0.865 461 T HN 0.126 nan 8.240 nan 0.000 0.435 462 L N 1.601 122.857 121.223 0.056 0.000 2.079 462 L HA -0.148 4.190 4.340 -0.002 0.000 0.210 462 L C 2.867 179.736 176.870 -0.002 0.000 1.081 462 L CA 1.528 56.415 54.840 0.077 0.000 0.752 462 L CB -0.698 41.409 42.059 0.080 0.000 0.896 462 L HN 0.390 nan 8.230 nan 0.000 0.433 463 S N -0.503 115.138 115.700 -0.098 0.000 2.442 463 S HA -0.183 4.286 4.470 -0.002 0.000 0.236 463 S C 1.984 176.419 174.600 -0.276 0.000 1.007 463 S CA 0.787 58.891 58.200 -0.160 0.000 0.965 463 S CB -0.302 62.795 63.200 -0.171 0.000 0.773 463 S HN 0.399 nan 8.310 nan 0.000 0.504 464 R N -0.768 119.472 120.500 -0.434 0.000 2.317 464 R HA 0.209 4.548 4.340 -0.002 0.000 0.208 464 R C -0.045 175.830 176.300 -0.708 0.000 0.914 464 R CA 0.295 56.016 56.100 -0.632 0.000 1.060 464 R CB 0.095 29.824 30.300 -0.952 0.000 1.015 464 R HN 0.585 nan 8.270 nan 0.000 0.498 465 Y N -1.458 118.767 120.300 -0.125 0.000 2.716 465 Y HA 0.296 4.845 4.550 -0.003 0.000 0.260 465 Y C 1.388 177.311 175.900 0.038 0.000 1.141 465 Y CA -0.377 57.703 58.100 -0.034 0.000 1.168 465 Y CB 0.786 39.207 38.460 -0.066 0.000 1.189 465 Y HN -0.011 nan 8.280 nan 0.000 0.549 466 A N -0.680 122.178 122.820 0.063 0.000 2.067 466 A HA -0.221 4.097 4.320 -0.002 0.000 0.219 466 A C 1.804 179.444 177.584 0.093 0.000 1.158 466 A CA 1.916 53.982 52.037 0.047 0.000 0.661 466 A CB -0.511 18.469 19.000 -0.033 0.000 0.801 466 A HN 0.607 nan 8.150 nan 0.000 0.452 467 H N -2.281 116.804 119.070 0.025 0.000 2.343 467 H HA -0.124 4.430 4.556 -0.002 0.000 0.303 467 H C 1.703 177.073 175.328 0.070 0.000 1.068 467 H CA 1.787 57.848 56.048 0.023 0.000 1.359 467 H CB -0.528 29.243 29.762 0.014 0.000 1.402 467 H HN 0.618 nan 8.280 nan 0.000 0.515 468 W N 0.517 121.732 121.300 -0.141 0.000 2.363 468 W HA -0.169 4.490 4.660 -0.002 0.000 0.296 468 W C 2.070 178.472 176.519 -0.195 0.000 1.212 468 W CA 1.947 59.169 57.345 -0.205 0.000 1.260 468 W CB -0.444 28.957 29.460 -0.097 0.000 1.131 468 W HN 0.051 nan 8.180 nan 0.000 0.530 469 V N 0.874 120.811 119.914 0.037 0.000 2.343 469 V HA -0.315 3.804 4.120 -0.002 0.000 0.247 469 V C 2.324 178.303 176.094 -0.192 0.000 1.051 469 V CA 2.227 64.480 62.300 -0.078 0.000 1.036 469 V CB -1.207 30.665 31.823 0.082 0.000 0.654 469 V HN 0.281 nan 8.190 nan 0.000 0.451 470 V N -0.599 119.214 119.914 -0.168 0.000 2.809 470 V HA -0.076 4.042 4.120 -0.002 0.000 0.256 470 V C 2.239 178.186 176.094 -0.246 0.000 1.080 470 V CA 1.796 63.992 62.300 -0.173 0.000 1.102 470 V CB -0.792 30.966 31.823 -0.109 0.000 0.705 470 V HN 0.627 nan 8.190 nan 0.000 0.475 471 S N -0.471 114.997 115.700 -0.388 0.000 2.660 471 S HA 0.086 4.555 4.470 -0.002 0.000 0.228 471 S C 0.759 175.100 174.600 -0.431 0.000 0.966 471 S CA -0.086 57.860 58.200 -0.424 0.000 0.940 471 S CB -0.558 62.320 63.200 -0.537 0.000 0.773 471 S HN 0.773 nan 8.310 nan 0.000 0.535 472 Q N 1.366 120.928 119.800 -0.396 0.000 2.416 472 Q HA 0.481 4.819 4.340 -0.002 0.000 0.279 472 Q C -2.980 172.928 176.000 -0.154 0.000 1.101 472 Q CA -2.664 52.962 55.803 -0.295 0.000 0.830 472 Q CB 0.572 29.144 28.738 -0.277 0.000 1.402 472 Q HN 0.108 nan 8.270 nan 0.000 0.445 473 P HA -0.034 nan 4.420 nan 0.000 0.256 473 P C -1.889 175.367 177.300 -0.075 0.000 1.173 473 P CA -0.523 62.529 63.100 -0.082 0.000 0.768 473 P CB 0.101 31.757 31.700 -0.073 0.000 0.758 474 P HA -0.204 nan 4.420 nan 0.000 0.216 474 P C 0.869 178.140 177.300 -0.047 0.000 1.150 474 P CA 1.451 64.508 63.100 -0.070 0.000 0.843 474 P CB 0.114 31.770 31.700 -0.073 0.000 0.787 475 D N -0.855 119.525 120.400 -0.033 0.000 2.264 475 D HA -0.102 4.537 4.640 -0.002 0.000 0.208 475 D C 2.056 178.310 176.300 -0.076 0.000 0.966 475 D CA 1.784 55.770 54.000 -0.022 0.000 0.864 475 D CB -0.699 40.090 40.800 -0.018 0.000 0.933 475 D HN 0.336 nan 8.370 nan 0.000 0.499 476 T N -2.813 111.653 114.554 -0.146 0.000 2.894 476 T HA -0.064 4.284 4.350 -0.002 0.000 0.258 476 T C 1.797 176.217 174.700 -0.467 0.000 1.043 476 T CA 0.763 62.663 62.100 -0.333 0.000 1.141 476 T CB -0.301 68.299 68.868 -0.445 0.000 0.873 476 T HN 0.203 nan 8.240 nan 0.000 0.449 477 Y N -0.519 119.768 120.300 -0.021 0.000 2.769 477 Y HA 0.452 5.000 4.550 -0.002 0.000 0.266 477 Y C 2.058 177.954 175.900 -0.007 0.000 1.091 477 Y CA -0.496 57.611 58.100 0.011 0.000 1.272 477 Y CB -0.139 38.334 38.460 0.022 0.000 1.469 477 Y HN 0.089 nan 8.280 nan 0.000 0.475 478 L N 1.391 122.671 121.223 0.095 0.000 2.042 478 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 478 L C 2.274 179.117 176.870 -0.045 0.000 1.076 478 L CA 1.995 56.826 54.840 -0.014 0.000 0.749 478 L CB -0.433 41.563 42.059 -0.105 0.000 0.893 478 L HN 0.122 nan 8.230 nan 0.000 0.432 479 K N -0.753 119.629 120.400 -0.030 0.000 2.001 479 K HA -0.095 4.224 4.320 -0.002 0.000 0.208 479 K C -0.386 176.267 176.600 0.089 0.000 1.048 479 K CA 1.442 57.747 56.287 0.029 0.000 0.932 479 K CB -1.052 31.518 32.500 0.118 0.000 0.715 479 K HN 0.267 nan 8.250 nan 0.000 0.437 480 P HA -0.198 nan 4.420 nan 0.000 0.214 480 P C 1.451 178.814 177.300 0.104 0.000 1.163 480 P CA 0.991 64.143 63.100 0.087 0.000 0.889 480 P CB -0.092 31.652 31.700 0.073 0.000 0.790 481 L N -1.149 120.139 121.223 0.107 0.000 1.978 481 L HA -0.218 4.121 4.340 -0.002 0.000 0.218 481 L C 2.498 179.448 176.870 0.133 0.000 1.075 481 L CA 2.147 57.055 54.840 0.114 0.000 0.767 481 L CB -1.456 40.663 42.059 0.101 0.000 0.890 481 L HN -0.125 nan 8.230 nan 0.000 0.434 482 M N -1.188 118.482 119.600 0.117 0.000 2.073 482 M HA -0.271 4.208 4.480 -0.002 0.000 0.258 482 M C 2.072 178.521 176.300 0.249 0.000 1.070 482 M CA 2.765 58.188 55.300 0.206 0.000 1.103 482 M CB -0.518 32.133 32.600 0.085 0.000 1.321 482 M HN 0.424 nan 8.290 nan 0.000 0.405 483 T N 0.142 114.811 114.554 0.192 0.000 2.684 483 T HA -0.155 4.194 4.350 -0.002 0.000 0.267 483 T C 1.703 176.476 174.700 0.122 0.000 1.036 483 T CA 1.594 63.794 62.100 0.165 0.000 1.148 483 T CB -0.393 68.562 68.868 0.145 0.000 0.863 483 T HN 0.410 nan 8.240 nan 0.000 0.436 484 E N 0.719 120.989 120.200 0.117 0.000 2.072 484 E HA 0.010 4.358 4.350 -0.002 0.000 0.191 484 E C 2.216 178.874 176.600 0.097 0.000 0.985 484 E CA 0.541 56.997 56.400 0.094 0.000 0.801 484 E CB -0.504 29.251 29.700 0.091 0.000 0.750 484 E HN 0.260 nan 8.360 nan 0.000 0.452 485 L N 0.792 122.100 121.223 0.142 0.000 2.131 485 L HA -0.095 4.243 4.340 -0.002 0.000 0.210 485 L C 2.277 179.193 176.870 0.076 0.000 1.092 485 L CA 1.123 56.064 54.840 0.169 0.000 0.759 485 L CB -0.521 41.729 42.059 0.318 0.000 0.903 485 L HN 0.092 nan 8.230 nan 0.000 0.435 486 L N -1.233 120.005 121.223 0.025 0.000 2.093 486 L HA -0.223 4.115 4.340 -0.002 0.000 0.208 486 L C 2.453 179.284 176.870 -0.065 0.000 1.085 486 L CA 1.146 55.911 54.840 -0.125 0.000 0.755 486 L CB -0.408 41.596 42.059 -0.092 0.000 0.904 486 L HN 0.249 nan 8.230 nan 0.000 0.435 487 K N -0.453 119.944 120.400 -0.005 0.000 2.057 487 K HA -0.154 4.165 4.320 -0.002 0.000 0.206 487 K C 2.214 178.820 176.600 0.011 0.000 1.050 487 K CA 0.926 57.212 56.287 -0.001 0.000 0.935 487 K CB -0.105 32.404 32.500 0.016 0.000 0.715 487 K HN 0.014 nan 8.250 nan 0.000 0.439 488 R N 1.286 121.803 120.500 0.029 0.000 2.152 488 R HA 0.005 4.343 4.340 -0.002 0.000 0.232 488 R C 1.986 178.320 176.300 0.056 0.000 1.117 488 R CA 0.932 57.060 56.100 0.047 0.000 0.981 488 R CB -0.617 29.722 30.300 0.065 0.000 0.870 488 R HN 0.241 nan 8.270 nan 0.000 0.451 489 I N -0.119 120.468 120.570 0.029 0.000 2.194 489 I HA -0.257 3.912 4.170 -0.002 0.000 0.246 489 I C 0.735 176.886 176.117 0.057 0.000 1.093 489 I CA 0.949 62.277 61.300 0.046 0.000 1.355 489 I CB -0.130 37.822 38.000 -0.080 0.000 1.046 489 I HN 0.053 nan 8.210 nan 0.000 0.413 490 L N 0.602 121.832 121.223 0.011 0.000 2.688 490 L HA 0.146 4.485 4.340 -0.002 0.000 0.234 490 L C 0.638 177.545 176.870 0.061 0.000 1.192 490 L CA 0.351 55.212 54.840 0.036 0.000 0.984 490 L CB -1.984 40.114 42.059 0.064 0.000 1.232 490 L HN 0.177 nan 8.230 nan 0.000 0.465 491 D N 0.112 120.552 120.400 0.067 0.000 2.419 491 D HA -0.074 4.565 4.640 -0.002 0.000 0.236 491 D C 1.214 177.551 176.300 0.062 0.000 1.165 491 D CA 0.485 54.518 54.000 0.055 0.000 0.882 491 D CB 1.510 42.340 40.800 0.050 0.000 1.201 491 D HN 0.263 nan 8.370 nan 0.000 0.443 492 S N 2.139 117.863 115.700 0.040 0.000 2.527 492 S HA -0.072 4.396 4.470 -0.002 0.000 0.222 492 S C 0.806 175.422 174.600 0.026 0.000 0.985 492 S CA -0.318 57.904 58.200 0.037 0.000 0.921 492 S CB 0.079 63.293 63.200 0.023 0.000 0.772 492 S HN 0.475 nan 8.310 nan 0.000 0.529 493 N N 1.838 120.549 118.700 0.017 0.000 2.419 493 N HA 0.208 4.946 4.740 -0.002 0.000 0.264 493 N C 0.518 176.034 175.510 0.009 0.000 1.031 493 N CA -0.137 52.914 53.050 0.001 0.000 0.951 493 N CB 1.028 39.503 38.487 -0.020 0.000 1.101 493 N HN 0.237 nan 8.380 nan 0.000 0.488 494 K N 2.617 123.016 120.400 -0.002 0.000 2.074 494 K HA -0.220 4.098 4.320 -0.002 0.000 0.209 494 K C 1.621 178.201 176.600 -0.035 0.000 1.048 494 K CA 1.407 57.683 56.287 -0.020 0.000 0.926 494 K CB 0.082 32.564 32.500 -0.029 0.000 0.713 494 K HN 0.427 nan 8.250 nan 0.000 0.444 495 R N 1.025 121.510 120.500 -0.024 0.000 2.120 495 R HA -0.103 4.235 4.340 -0.002 0.000 0.234 495 R C 1.865 178.165 176.300 0.000 0.000 1.123 495 R CA 1.109 57.199 56.100 -0.017 0.000 0.975 495 R CB -0.177 30.113 30.300 -0.016 0.000 0.866 495 R HN -0.007 nan 8.270 nan 0.000 0.446 496 V N 0.470 120.389 119.914 0.009 0.000 2.591 496 V HA -0.145 3.973 4.120 -0.002 0.000 0.249 496 V C 2.097 178.220 176.094 0.048 0.000 1.053 496 V CA 1.596 63.916 62.300 0.033 0.000 1.068 496 V CB -0.450 31.391 31.823 0.030 0.000 0.689 496 V HN 0.385 nan 8.190 nan 0.000 0.462 497 Q N 0.280 120.105 119.800 0.042 0.000 2.020 497 Q HA -0.265 4.073 4.340 -0.002 0.000 0.202 497 Q C 2.330 178.318 176.000 -0.022 0.000 0.982 497 Q CA 1.968 57.812 55.803 0.068 0.000 0.838 497 Q CB -0.259 28.528 28.738 0.081 0.000 0.899 497 Q HN 0.722 nan 8.270 nan 0.000 0.423 498 E N 0.545 120.692 120.200 -0.089 0.000 2.070 498 E HA -0.272 4.076 4.350 -0.002 0.000 0.197 498 E C 1.878 178.482 176.600 0.006 0.000 1.004 498 E CA 1.269 57.618 56.400 -0.085 0.000 0.805 498 E CB -0.085 29.573 29.700 -0.069 0.000 0.744 498 E HN 0.365 nan 8.360 nan 0.000 0.451 499 A N 0.940 123.787 122.820 0.045 0.000 1.854 499 A HA -0.000 4.318 4.320 -0.002 0.000 0.214 499 A C 2.388 180.050 177.584 0.129 0.000 1.192 499 A CA 1.728 53.829 52.037 0.105 0.000 0.611 499 A CB -0.821 18.248 19.000 0.114 0.000 0.832 499 A HN 0.417 nan 8.150 nan 0.000 0.442 500 A N -1.206 121.685 122.820 0.117 0.000 1.873 500 A HA -0.186 4.133 4.320 -0.002 0.000 0.215 500 A C 2.392 180.077 177.584 0.168 0.000 1.186 500 A CA 1.630 53.751 52.037 0.140 0.000 0.616 500 A CB -1.423 17.647 19.000 0.116 0.000 0.823 500 A HN 0.708 nan 8.150 nan 0.000 0.442 501 C N -0.724 118.660 119.300 0.140 0.000 2.413 501 C HA -0.075 4.383 4.460 -0.002 0.000 0.276 501 C C 3.171 178.256 174.990 0.158 0.000 1.248 501 C CA 1.650 60.758 59.018 0.151 0.000 1.742 501 C CB -1.317 26.505 27.740 0.137 0.000 2.017 501 C HN 0.578 nan 8.230 nan 0.000 0.481 502 S N 0.359 116.129 115.700 0.117 0.000 2.353 502 S HA -0.139 4.329 4.470 -0.002 0.000 0.222 502 S C 2.180 176.854 174.600 0.123 0.000 1.035 502 S CA 1.601 59.869 58.200 0.113 0.000 1.025 502 S CB -0.606 62.664 63.200 0.117 0.000 0.902 502 S HN 0.816 nan 8.310 nan 0.000 0.440 503 A N 0.500 123.404 122.820 0.141 0.000 1.908 503 A HA -0.118 4.201 4.320 -0.002 0.000 0.218 503 A C 1.940 179.584 177.584 0.099 0.000 1.181 503 A CA 1.589 53.688 52.037 0.104 0.000 0.627 503 A CB -0.903 18.171 19.000 0.123 0.000 0.818 503 A HN 0.505 nan 8.150 nan 0.000 0.445 504 F N 0.648 120.616 119.950 0.030 0.000 2.134 504 F HA -0.052 4.473 4.527 -0.002 0.000 0.299 504 F C 2.614 178.420 175.800 0.010 0.000 1.097 504 F CA 1.100 59.111 58.000 0.019 0.000 1.264 504 F CB -0.381 38.636 39.000 0.027 0.000 1.001 504 F HN 0.268 nan 8.300 nan 0.000 0.479 505 A N -0.611 122.319 122.820 0.183 0.000 1.892 505 A HA -0.259 4.060 4.320 -0.002 0.000 0.218 505 A C 2.220 179.792 177.584 -0.020 0.000 1.188 505 A CA 2.551 54.640 52.037 0.086 0.000 0.631 505 A CB -1.516 17.541 19.000 0.095 0.000 0.822 505 A HN 0.412 nan 8.150 nan 0.000 0.447 506 T N -0.234 114.307 114.554 -0.023 0.000 2.684 506 T HA -0.162 4.186 4.350 -0.002 0.000 0.267 506 T C 1.825 176.455 174.700 -0.117 0.000 1.036 506 T CA 1.656 63.719 62.100 -0.062 0.000 1.148 506 T CB -0.382 68.449 68.868 -0.061 0.000 0.863 506 T HN 0.319 nan 8.240 nan 0.000 0.436 507 L N 1.206 122.318 121.223 -0.185 0.000 2.083 507 L HA -0.041 4.298 4.340 -0.002 0.000 0.209 507 L C 2.273 178.968 176.870 -0.291 0.000 1.083 507 L CA 1.785 56.469 54.840 -0.259 0.000 0.752 507 L CB -0.548 41.279 42.059 -0.388 0.000 0.899 507 L HN 0.297 nan 8.230 nan 0.000 0.433 508 E N -0.674 119.326 120.200 -0.333 0.000 2.110 508 E HA -0.220 4.129 4.350 -0.002 0.000 0.193 508 E C 1.978 178.501 176.600 -0.129 0.000 0.988 508 E CA 1.287 57.541 56.400 -0.243 0.000 0.804 508 E CB -0.123 29.477 29.700 -0.166 0.000 0.745 508 E HN 0.608 nan 8.360 nan 0.000 0.458 509 E N 0.631 120.772 120.200 -0.099 0.000 2.160 509 E HA -0.193 4.156 4.350 -0.002 0.000 0.195 509 E C 1.807 178.368 176.600 -0.065 0.000 0.991 509 E CA 0.795 57.155 56.400 -0.066 0.000 0.810 509 E CB 0.036 29.702 29.700 -0.056 0.000 0.742 509 E HN 0.267 nan 8.360 nan 0.000 0.466 510 E N -0.218 119.937 120.200 -0.075 0.000 2.340 510 E HA 0.032 4.380 4.350 -0.002 0.000 0.194 510 E C 1.719 178.289 176.600 -0.051 0.000 0.996 510 E CA 0.443 56.818 56.400 -0.041 0.000 0.869 510 E CB 0.372 30.063 29.700 -0.015 0.000 0.835 510 E HN 0.173 nan 8.360 nan 0.000 0.493 511 A N 1.486 124.247 122.820 -0.098 0.000 1.862 511 A HA -0.026 4.292 4.320 -0.002 0.000 0.211 511 A C 1.119 178.652 177.584 -0.084 0.000 1.220 511 A CA 0.649 52.617 52.037 -0.115 0.000 0.616 511 A CB -0.768 18.122 19.000 -0.183 0.000 0.878 511 A HN 0.441 nan 8.150 nan 0.000 0.453 512 C N 0.415 119.672 119.300 -0.073 0.000 1.553 512 C HA 0.056 4.515 4.460 -0.002 0.000 0.232 512 C C 1.448 176.421 174.990 -0.028 0.000 0.985 512 C CA 0.958 59.954 59.018 -0.036 0.000 3.265 512 C CB -2.925 24.805 27.740 -0.017 0.000 2.127 512 C HN 2.350 nan 8.230 nan 0.000 0.169 513 T N -2.544 111.991 114.554 -0.031 0.000 9.014 513 T HA -0.293 4.056 4.350 -0.002 0.000 0.325 513 T C 0.627 175.269 174.700 -0.098 0.000 1.996 513 T CA 1.257 63.319 62.100 -0.062 0.000 3.253 513 T CB -1.444 67.420 68.868 -0.005 0.000 1.918 513 T HN 0.997 nan 8.240 nan 0.000 0.863 514 E N 1.126 121.270 120.200 -0.093 0.000 2.482 514 E HA 0.251 4.599 4.350 -0.002 0.000 0.196 514 E C 1.982 178.484 176.600 -0.164 0.000 1.047 514 E CA 0.893 57.221 56.400 -0.120 0.000 0.869 514 E CB -0.080 29.538 29.700 -0.136 0.000 0.836 514 E HN 0.734 nan 8.360 nan 0.000 0.520 515 L N -0.502 120.644 121.223 -0.128 0.000 2.477 515 L HA -0.019 4.319 4.340 -0.002 0.000 0.220 515 L C 2.267 179.151 176.870 0.024 0.000 1.106 515 L CA 0.004 54.789 54.840 -0.091 0.000 0.851 515 L CB -0.109 41.913 42.059 -0.062 0.000 0.994 515 L HN -0.089 nan 8.230 nan 0.000 0.462 516 V N 1.192 121.080 119.914 -0.043 0.000 2.250 516 V HA -0.240 3.878 4.120 -0.002 0.000 0.253 516 V C -0.134 175.976 176.094 0.027 0.000 1.065 516 V CA 2.333 64.585 62.300 -0.081 0.000 1.039 516 V CB -1.555 30.073 31.823 -0.327 0.000 0.647 516 V HN 0.390 nan 8.190 nan 0.000 0.446 517 P HA -0.100 nan 4.420 nan 0.000 0.225 517 P C 0.813 178.087 177.300 -0.044 0.000 1.148 517 P CA 1.277 64.408 63.100 0.052 0.000 0.779 517 P CB -0.081 31.663 31.700 0.074 0.000 0.780 518 Y N -2.050 118.180 120.300 -0.117 0.000 2.458 518 Y HA 0.224 4.773 4.550 -0.002 0.000 0.256 518 Y C 2.027 177.917 175.900 -0.017 0.000 1.159 518 Y CA -0.589 57.430 58.100 -0.135 0.000 1.261 518 Y CB -1.006 37.404 38.460 -0.083 0.000 1.119 518 Y HN -0.167 nan 8.280 nan 0.000 0.524 519 L N 0.003 121.283 121.223 0.095 0.000 1.991 519 L HA -0.370 3.968 4.340 -0.002 0.000 0.221 519 L C 2.602 179.410 176.870 -0.103 0.000 1.079 519 L CA 1.779 56.573 54.840 -0.076 0.000 0.778 519 L CB -0.631 41.269 42.059 -0.265 0.000 0.893 519 L HN 0.324 nan 8.230 nan 0.000 0.437 520 A N -1.274 121.587 122.820 0.068 0.000 1.986 520 A HA -0.260 4.059 4.320 -0.002 0.000 0.220 520 A C 1.922 179.655 177.584 0.247 0.000 1.171 520 A CA 1.851 54.035 52.037 0.246 0.000 0.640 520 A CB -0.752 18.515 19.000 0.444 0.000 0.811 520 A HN 0.473 nan 8.150 nan 0.000 0.451 521 Y N -0.303 120.001 120.300 0.007 0.000 2.314 521 Y HA -0.001 4.547 4.550 -0.002 0.000 0.294 521 Y C 2.341 178.234 175.900 -0.012 0.000 1.119 521 Y CA -0.040 58.064 58.100 0.006 0.000 1.179 521 Y CB -0.419 38.059 38.460 0.030 0.000 1.025 521 Y HN 0.166 nan 8.280 nan 0.000 0.541 522 I N -0.169 120.508 120.570 0.178 0.000 2.099 522 I HA -0.296 3.873 4.170 -0.002 0.000 0.239 522 I C 2.279 178.379 176.117 -0.028 0.000 1.066 522 I CA 1.555 62.889 61.300 0.057 0.000 1.324 522 I CB -1.445 36.632 38.000 0.128 0.000 1.037 522 I HN 0.228 nan 8.210 nan 0.000 0.401 523 L N 0.421 121.627 121.223 -0.029 0.000 2.046 523 L HA -0.253 4.086 4.340 -0.002 0.000 0.208 523 L C 2.327 179.192 176.870 -0.008 0.000 1.077 523 L CA 1.599 56.418 54.840 -0.035 0.000 0.747 523 L CB -0.611 41.405 42.059 -0.071 0.000 0.896 523 L HN 0.214 nan 8.230 nan 0.000 0.432 524 D N -0.616 119.780 120.400 -0.007 0.000 2.116 524 D HA -0.221 4.418 4.640 -0.002 0.000 0.193 524 D C 2.189 178.473 176.300 -0.026 0.000 0.998 524 D CA 2.018 56.006 54.000 -0.020 0.000 0.836 524 D CB 0.067 40.818 40.800 -0.082 0.000 0.951 524 D HN 0.385 nan 8.370 nan 0.000 0.449 525 T N -2.094 112.421 114.554 -0.064 0.000 3.014 525 T HA 0.019 4.368 4.350 -0.002 0.000 0.263 525 T C 2.224 176.863 174.700 -0.102 0.000 1.078 525 T CA 0.258 62.312 62.100 -0.077 0.000 1.135 525 T CB -0.322 68.472 68.868 -0.125 0.000 0.895 525 T HN 0.121 nan 8.240 nan 0.000 0.480 526 L N 1.554 122.698 121.223 -0.132 0.000 2.072 526 L HA 0.015 4.354 4.340 -0.002 0.000 0.205 526 L C 2.985 179.713 176.870 -0.237 0.000 1.079 526 L CA 1.361 56.080 54.840 -0.201 0.000 0.752 526 L CB -0.482 41.485 42.059 -0.154 0.000 0.906 526 L HN 0.346 nan 8.230 nan 0.000 0.436 527 V N -4.184 115.701 119.914 -0.048 0.000 2.591 527 V HA -0.227 3.891 4.120 -0.002 0.000 0.249 527 V C 2.286 178.466 176.094 0.143 0.000 1.053 527 V CA 1.020 63.394 62.300 0.124 0.000 1.068 527 V CB -1.039 30.928 31.823 0.241 0.000 0.689 527 V HN 0.259 nan 8.190 nan 0.000 0.462 528 F N 2.502 122.411 119.950 -0.068 0.000 2.186 528 F HA 0.095 4.621 4.527 -0.002 0.000 0.299 528 F C 2.447 178.146 175.800 -0.168 0.000 1.090 528 F CA 1.227 59.180 58.000 -0.078 0.000 1.307 528 F CB -0.653 38.288 39.000 -0.098 0.000 1.019 528 F HN 0.199 nan 8.300 nan 0.000 0.489 529 A N 0.147 122.767 122.820 -0.333 0.000 1.997 529 A HA -0.238 4.081 4.320 -0.002 0.000 0.221 529 A C 2.068 179.275 177.584 -0.629 0.000 1.172 529 A CA 1.821 53.414 52.037 -0.740 0.000 0.645 529 A CB -1.525 16.878 19.000 -0.995 0.000 0.813 529 A HN 0.419 nan 8.150 nan 0.000 0.454 530 F N 1.362 121.117 119.950 -0.324 0.000 2.065 530 F HA -0.172 4.354 4.527 -0.002 0.000 0.298 530 F C 2.414 178.088 175.800 -0.211 0.000 1.112 530 F CA 1.685 59.571 58.000 -0.191 0.000 1.212 530 F CB -0.686 38.258 39.000 -0.094 0.000 0.975 530 F HN 0.291 nan 8.300 nan 0.000 0.476 531 S N -0.723 114.902 115.700 -0.126 0.000 2.994 531 S HA 0.228 4.696 4.470 -0.002 0.000 0.247 531 S C 0.789 175.193 174.600 -0.327 0.000 1.323 531 S CA -0.156 57.918 58.200 -0.210 0.000 1.246 531 S CB 0.043 63.097 63.200 -0.244 0.000 0.994 531 S HN 0.526 nan 8.310 nan 0.000 0.484 532 K N -0.576 119.690 120.400 -0.224 0.000 2.765 532 K HA 0.120 4.438 4.320 -0.002 0.000 0.168 532 K C -1.007 175.628 176.600 0.058 0.000 1.849 532 K CA -0.172 56.017 56.287 -0.163 0.000 1.350 532 K CB 0.335 32.646 32.500 -0.315 0.000 2.021 532 K HN 0.328 nan 8.250 nan 0.000 0.603 533 Y N 3.941 124.180 120.300 -0.102 0.000 2.377 533 Y HA 0.094 4.642 4.550 -0.002 0.000 0.330 533 Y C 1.592 177.466 175.900 -0.044 0.000 1.108 533 Y CA -0.373 57.675 58.100 -0.087 0.000 1.308 533 Y CB 1.040 39.413 38.460 -0.144 0.000 1.216 533 Y HN 0.160 nan 8.280 nan 0.000 0.518 534 Q N 1.919 121.774 119.800 0.091 0.000 1.732 534 Q HA -0.166 4.173 4.340 -0.002 0.000 0.350 534 Q C 1.320 177.384 176.000 0.106 0.000 0.976 534 Q CA 1.846 57.687 55.803 0.065 0.000 0.895 534 Q CB -0.022 28.730 28.738 0.024 0.000 0.934 534 Q HN 0.868 nan 8.270 nan 0.000 0.413 535 H N -1.287 117.752 119.070 -0.052 0.000 1.690 535 H HA 0.142 4.697 4.556 -0.002 0.000 0.139 535 H C 1.758 177.040 175.328 -0.077 0.000 1.095 535 H CA 0.327 56.350 56.048 -0.042 0.000 1.028 535 H CB 0.394 30.145 29.762 -0.018 0.000 0.687 535 H HN 0.115 nan 8.280 nan 0.000 0.294 536 K N 0.768 121.212 120.400 0.073 0.000 2.074 536 K HA -0.149 4.170 4.320 -0.002 0.000 0.209 536 K C 1.321 177.827 176.600 -0.157 0.000 1.048 536 K CA 2.097 58.376 56.287 -0.014 0.000 0.926 536 K CB 0.141 32.639 32.500 -0.004 0.000 0.713 536 K HN 0.204 nan 8.250 nan 0.000 0.444 537 N N 0.836 119.377 118.700 -0.264 0.000 2.250 537 N HA -0.123 4.615 4.740 -0.002 0.000 0.181 537 N C 1.607 176.802 175.510 -0.525 0.000 1.017 537 N CA 0.579 53.320 53.050 -0.515 0.000 0.866 537 N CB -0.340 37.606 38.487 -0.901 0.000 0.985 537 N HN 0.110 nan 8.380 nan 0.000 0.429 538 L N 0.646 121.647 121.223 -0.369 0.000 2.043 538 L HA -0.101 4.237 4.340 -0.002 0.000 0.212 538 L C 1.813 178.378 176.870 -0.508 0.000 1.075 538 L CA 1.391 56.034 54.840 -0.328 0.000 0.752 538 L CB -0.751 41.149 42.059 -0.266 0.000 0.891 538 L HN 0.050 nan 8.230 nan 0.000 0.432 539 L N -0.472 120.534 121.223 -0.362 0.000 2.042 539 L HA -0.212 4.126 4.340 -0.002 0.000 0.210 539 L C 2.359 179.195 176.870 -0.058 0.000 1.076 539 L CA 1.921 56.674 54.840 -0.145 0.000 0.749 539 L CB -0.537 41.452 42.059 -0.117 0.000 0.893 539 L HN 0.321 nan 8.230 nan 0.000 0.432 540 I N -1.717 118.784 120.570 -0.116 0.000 2.394 540 I HA -0.260 3.909 4.170 -0.002 0.000 0.251 540 I C 2.276 178.376 176.117 -0.028 0.000 1.136 540 I CA 0.629 61.897 61.300 -0.053 0.000 1.425 540 I CB -0.363 37.587 38.000 -0.084 0.000 1.079 540 I HN 0.244 nan 8.210 nan 0.000 0.425 541 L N 0.384 121.545 121.223 -0.103 0.000 2.093 541 L HA -0.196 4.143 4.340 -0.002 0.000 0.208 541 L C 2.403 179.247 176.870 -0.043 0.000 1.085 541 L CA 1.837 56.625 54.840 -0.086 0.000 0.755 541 L CB -0.787 41.183 42.059 -0.148 0.000 0.904 541 L HN 0.174 nan 8.230 nan 0.000 0.435 542 Y N -0.505 119.821 120.300 0.043 0.000 2.128 542 Y HA -0.325 4.223 4.550 -0.002 0.000 0.284 542 Y C 2.555 178.492 175.900 0.062 0.000 1.154 542 Y CA 1.066 59.215 58.100 0.082 0.000 1.149 542 Y CB -0.389 38.128 38.460 0.096 0.000 0.976 542 Y HN 0.304 nan 8.280 nan 0.000 0.505 543 D N 0.074 120.596 120.400 0.204 0.000 2.123 543 D HA -0.195 4.443 4.640 -0.002 0.000 0.196 543 D C 2.159 178.525 176.300 0.110 0.000 0.992 543 D CA 1.410 55.487 54.000 0.128 0.000 0.833 543 D CB -0.270 40.586 40.800 0.093 0.000 0.954 543 D HN 0.272 nan 8.370 nan 0.000 0.455 544 A N -0.014 122.868 122.820 0.105 0.000 1.877 544 A HA -0.121 4.198 4.320 -0.002 0.000 0.216 544 A C 2.483 180.137 177.584 0.117 0.000 1.186 544 A CA 1.395 53.506 52.037 0.122 0.000 0.620 544 A CB -0.767 18.301 19.000 0.112 0.000 0.822 544 A HN 0.365 nan 8.150 nan 0.000 0.443 545 I N -0.461 120.170 120.570 0.103 0.000 2.233 545 I HA -0.127 4.041 4.170 -0.002 0.000 0.243 545 I C 2.731 178.913 176.117 0.108 0.000 1.093 545 I CA 0.989 62.353 61.300 0.107 0.000 1.380 545 I CB -0.650 37.436 38.000 0.142 0.000 1.067 545 I HN 0.376 nan 8.210 nan 0.000 0.413 546 G N 0.256 109.127 108.800 0.117 0.000 2.514 546 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 546 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 546 G C 1.672 176.608 174.900 0.059 0.000 1.198 546 G CA 1.660 46.810 45.100 0.084 0.000 0.780 546 G HN 0.270 nan 8.290 nan 0.000 0.565 547 T N 0.977 115.568 114.554 0.061 0.000 2.720 547 T HA -0.087 4.262 4.350 -0.002 0.000 0.268 547 T C 2.239 176.964 174.700 0.041 0.000 1.037 547 T CA 1.014 63.139 62.100 0.041 0.000 1.144 547 T CB -0.248 68.642 68.868 0.038 0.000 0.864 547 T HN 0.171 nan 8.240 nan 0.000 0.444 548 L N 0.561 121.823 121.223 0.065 0.000 1.990 548 L HA -0.227 4.112 4.340 -0.002 0.000 0.213 548 L C 2.770 179.667 176.870 0.045 0.000 1.072 548 L CA 1.957 56.836 54.840 0.064 0.000 0.755 548 L CB -0.638 41.472 42.059 0.085 0.000 0.889 548 L HN 0.307 nan 8.230 nan 0.000 0.432 549 A N -0.859 121.990 122.820 0.048 0.000 1.933 549 A HA -0.244 4.074 4.320 -0.002 0.000 0.218 549 A C 1.824 179.430 177.584 0.035 0.000 1.175 549 A CA 1.833 53.897 52.037 0.044 0.000 0.628 549 A CB -0.618 18.406 19.000 0.041 0.000 0.814 549 A HN 0.503 nan 8.150 nan 0.000 0.444 550 D N -0.384 120.032 120.400 0.026 0.000 2.309 550 D HA -0.038 4.600 4.640 -0.002 0.000 0.212 550 D C 1.943 178.254 176.300 0.018 0.000 0.968 550 D CA 1.234 55.243 54.000 0.016 0.000 0.882 550 D CB 0.104 40.909 40.800 0.007 0.000 0.918 550 D HN 0.418 nan 8.370 nan 0.000 0.503 551 S N -0.636 115.077 115.700 0.022 0.000 2.438 551 S HA -0.046 4.423 4.470 -0.002 0.000 0.220 551 S C 2.277 176.904 174.600 0.046 0.000 1.045 551 S CA 0.638 58.848 58.200 0.016 0.000 0.940 551 S CB 0.030 63.225 63.200 -0.008 0.000 0.863 551 S HN 0.233 nan 8.310 nan 0.000 0.539 552 V N 0.400 120.349 119.914 0.059 0.000 2.427 552 V HA 0.251 4.370 4.120 -0.002 0.000 0.248 552 V C 1.499 177.697 176.094 0.173 0.000 1.051 552 V CA 0.966 63.334 62.300 0.114 0.000 1.048 552 V CB -2.022 29.854 31.823 0.088 0.000 0.666 552 V HN 0.594 nan 8.190 nan 0.000 0.456 553 G N 1.506 110.370 108.800 0.106 0.000 2.547 553 G HA2 -0.434 3.524 3.960 -0.002 0.000 0.271 553 G HA3 -0.434 3.524 3.960 -0.002 0.000 0.271 553 G C 0.875 175.825 174.900 0.083 0.000 1.209 553 G CA 1.202 46.361 45.100 0.097 0.000 0.959 553 G HN 1.337 nan 8.290 nan 0.000 0.563 554 H N 0.983 120.035 119.070 -0.029 0.000 2.539 554 H HA -0.102 4.453 4.556 -0.002 0.000 0.292 554 H C 1.939 177.249 175.328 -0.029 0.000 1.069 554 H CA 2.125 58.144 56.048 -0.047 0.000 1.244 554 H CB -0.523 29.180 29.762 -0.097 0.000 1.365 554 H HN 0.693 nan 8.280 nan 0.000 0.575 555 H N 0.270 119.100 119.070 -0.401 0.000 2.456 555 H HA -0.069 4.486 4.556 -0.002 0.000 0.296 555 H C 2.177 177.504 175.328 -0.002 0.000 1.079 555 H CA 1.053 56.933 56.048 -0.279 0.000 1.322 555 H CB 0.016 29.684 29.762 -0.156 0.000 1.388 555 H HN 0.353 nan 8.280 nan 0.000 0.538 556 L N 1.279 122.594 121.223 0.153 0.000 2.376 556 L HA -0.027 4.312 4.340 -0.002 0.000 0.219 556 L C 0.954 177.983 176.870 0.265 0.000 1.133 556 L CA 0.649 55.620 54.840 0.219 0.000 0.816 556 L CB -0.344 41.791 42.059 0.128 0.000 0.933 556 L HN -0.013 nan 8.230 nan 0.000 0.449 557 N N 1.590 120.388 118.700 0.162 0.000 3.103 557 N HA 0.018 4.757 4.740 -0.002 0.000 0.305 557 N C -0.987 174.588 175.510 0.109 0.000 1.232 557 N CA 0.347 53.481 53.050 0.141 0.000 1.190 557 N CB -0.367 38.197 38.487 0.129 0.000 1.461 557 N HN 0.325 nan 8.380 nan 0.000 0.538 558 K N 1.072 121.534 120.400 0.103 0.000 2.427 558 K HA 0.320 4.639 4.320 -0.002 0.000 0.252 558 K C -1.842 174.735 176.600 -0.039 0.000 0.931 558 K CA -1.898 54.367 56.287 -0.037 0.000 0.793 558 K CB 2.326 34.672 32.500 -0.256 0.000 1.211 558 K HN -0.080 nan 8.250 nan 0.000 0.426 559 P HA -0.316 nan 4.420 nan 0.000 0.216 559 P C 0.943 178.237 177.300 -0.009 0.000 1.157 559 P CA 1.561 64.663 63.100 0.002 0.000 0.880 559 P CB 0.198 31.894 31.700 -0.006 0.000 0.791 560 E N -1.490 118.651 120.200 -0.098 0.000 2.097 560 E HA -0.255 4.094 4.350 -0.002 0.000 0.196 560 E C 1.666 178.294 176.600 0.046 0.000 1.000 560 E CA 1.397 57.749 56.400 -0.080 0.000 0.804 560 E CB -1.256 28.334 29.700 -0.184 0.000 0.740 560 E HN 0.259 nan 8.360 nan 0.000 0.454 561 Y N 1.010 121.344 120.300 0.056 0.000 2.220 561 Y HA 0.029 4.578 4.550 -0.002 0.000 0.291 561 Y C 2.377 178.307 175.900 0.049 0.000 1.129 561 Y CA 0.097 58.232 58.100 0.058 0.000 1.161 561 Y CB -0.517 37.981 38.460 0.064 0.000 0.997 561 Y HN 0.010 nan 8.280 nan 0.000 0.522 562 I N -0.145 120.544 120.570 0.197 0.000 2.286 562 I HA -0.305 3.864 4.170 -0.002 0.000 0.248 562 I C 2.230 178.387 176.117 0.067 0.000 1.115 562 I CA 1.079 62.437 61.300 0.097 0.000 1.392 562 I CB -0.380 37.682 38.000 0.104 0.000 1.065 562 I HN 0.198 nan 8.210 nan 0.000 0.418 563 Q N 0.150 120.013 119.800 0.105 0.000 2.181 563 Q HA -0.188 4.151 4.340 -0.002 0.000 0.205 563 Q C 2.180 178.234 176.000 0.090 0.000 0.980 563 Q CA 1.698 57.562 55.803 0.101 0.000 0.862 563 Q CB -0.265 28.525 28.738 0.086 0.000 0.905 563 Q HN 0.613 nan 8.270 nan 0.000 0.429 564 M N -0.989 118.674 119.600 0.105 0.000 2.299 564 M HA -0.051 4.427 4.480 -0.002 0.000 0.264 564 M C 1.993 178.354 176.300 0.102 0.000 1.095 564 M CA 0.605 55.970 55.300 0.109 0.000 1.165 564 M CB -0.155 32.525 32.600 0.133 0.000 1.349 564 M HN 0.110 nan 8.290 nan 0.000 0.446 565 L N 0.510 121.787 121.223 0.091 0.000 2.068 565 L HA -0.012 4.327 4.340 -0.002 0.000 0.204 565 L C 2.277 179.156 176.870 0.016 0.000 1.076 565 L CA 1.724 56.625 54.840 0.102 0.000 0.753 565 L CB -0.441 41.678 42.059 0.100 0.000 0.910 565 L HN 0.201 nan 8.230 nan 0.000 0.439 566 M N -0.207 119.314 119.600 -0.132 0.000 2.099 566 M HA -0.047 4.432 4.480 -0.002 0.000 0.262 566 M C -0.015 176.175 176.300 -0.183 0.000 1.067 566 M CA 1.562 56.658 55.300 -0.340 0.000 1.124 566 M CB -2.372 29.590 32.600 -1.063 0.000 1.353 566 M HN 0.120 nan 8.290 nan 0.000 0.410 567 P HA -0.121 nan 4.420 nan 0.000 0.215 567 P C -1.291 175.981 177.300 -0.046 0.000 1.157 567 P CA 1.801 64.910 63.100 0.016 0.000 0.874 567 P CB -1.442 30.287 31.700 0.049 0.000 0.790 568 P HA -0.011 nan 4.420 nan 0.000 0.231 568 P C 1.670 178.711 177.300 -0.432 0.000 1.168 568 P CA 0.892 63.817 63.100 -0.293 0.000 0.779 568 P CB -0.194 31.268 31.700 -0.395 0.000 0.844 569 L N -0.918 120.151 121.223 -0.256 0.000 2.095 569 L HA -0.027 4.312 4.340 -0.002 0.000 0.204 569 L C 2.368 179.241 176.870 0.005 0.000 1.080 569 L CA 0.877 55.652 54.840 -0.108 0.000 0.759 569 L CB -0.368 41.700 42.059 0.016 0.000 0.914 569 L HN -0.141 nan 8.230 nan 0.000 0.439 570 I N -0.814 119.754 120.570 -0.004 0.000 2.761 570 I HA -0.202 3.967 4.170 -0.002 0.000 0.261 570 I C 2.425 178.641 176.117 0.166 0.000 1.198 570 I CA 0.781 62.136 61.300 0.092 0.000 1.482 570 I CB -0.174 37.862 38.000 0.061 0.000 1.100 570 I HN 0.285 nan 8.210 nan 0.000 0.445 571 Q N 0.777 120.613 119.800 0.060 0.000 2.046 571 Q HA -0.200 4.139 4.340 -0.002 0.000 0.200 571 Q C 1.991 178.030 176.000 0.066 0.000 0.975 571 Q CA 1.415 57.245 55.803 0.045 0.000 0.836 571 Q CB -0.000 28.721 28.738 -0.028 0.000 0.896 571 Q HN 0.352 nan 8.270 nan 0.000 0.428 572 K N -0.093 120.335 120.400 0.047 0.000 2.148 572 K HA -0.142 4.176 4.320 -0.002 0.000 0.204 572 K C 1.779 178.473 176.600 0.157 0.000 1.050 572 K CA 0.707 57.054 56.287 0.099 0.000 0.942 572 K CB -0.554 32.029 32.500 0.139 0.000 0.724 572 K HN 0.461 nan 8.250 nan 0.000 0.446 573 W N 2.727 124.032 121.300 0.008 0.000 2.358 573 W HA -0.183 4.476 4.660 -0.002 0.000 0.303 573 W C 1.353 177.893 176.519 0.035 0.000 1.208 573 W CA 1.315 58.674 57.345 0.023 0.000 1.274 573 W CB -0.322 29.156 29.460 0.030 0.000 1.138 573 W HN 0.200 nan 8.180 nan 0.000 0.515 574 N N 0.742 119.527 118.700 0.142 0.000 2.039 574 N HA -0.220 4.518 4.740 -0.002 0.000 0.193 574 N C 1.797 177.281 175.510 -0.044 0.000 1.044 574 N CA 2.064 55.137 53.050 0.038 0.000 0.847 574 N CB -0.601 37.947 38.487 0.101 0.000 1.030 574 N HN 0.156 nan 8.380 nan 0.000 0.422 575 M N 0.772 120.370 119.600 -0.004 0.000 2.704 575 M HA 0.217 4.696 4.480 -0.002 0.000 0.215 575 M C -0.619 175.665 176.300 -0.025 0.000 1.156 575 M CA 0.621 55.916 55.300 -0.008 0.000 1.002 575 M CB -0.191 32.421 32.600 0.019 0.000 1.781 575 M HN -0.042 nan 8.290 nan 0.000 0.486 576 L N 1.834 123.004 121.223 -0.089 0.000 2.265 576 L HA 0.492 4.831 4.340 -0.002 0.000 0.289 576 L C -0.071 176.717 176.870 -0.137 0.000 1.033 576 L CA -0.782 53.995 54.840 -0.104 0.000 0.814 576 L CB 1.163 43.129 42.059 -0.155 0.000 1.203 576 L HN 0.107 nan 8.230 nan 0.000 0.423 577 K N 1.600 121.958 120.400 -0.070 0.000 2.355 577 K HA -0.022 4.296 4.320 -0.002 0.000 0.270 577 K C 1.011 177.577 176.600 -0.057 0.000 1.003 577 K CA 0.069 56.320 56.287 -0.060 0.000 0.957 577 K CB 0.400 32.884 32.500 -0.025 0.000 0.939 577 K HN 0.411 nan 8.250 nan 0.000 0.482 578 D N 1.978 122.340 120.400 -0.062 0.000 2.271 578 D HA -0.183 4.455 4.640 -0.002 0.000 0.207 578 D C 0.124 176.433 176.300 0.015 0.000 0.983 578 D CA 1.322 55.298 54.000 -0.041 0.000 0.878 578 D CB 0.581 41.358 40.800 -0.039 0.000 0.920 578 D HN 0.472 nan 8.370 nan 0.000 0.479 579 E N 0.339 120.552 120.200 0.021 0.000 2.415 579 E HA 0.040 4.388 4.350 -0.002 0.000 0.197 579 E C 0.329 176.991 176.600 0.103 0.000 1.007 579 E CA -0.238 56.191 56.400 0.047 0.000 0.890 579 E CB 0.062 29.770 29.700 0.013 0.000 0.891 579 E HN 0.148 nan 8.360 nan 0.000 0.496 580 D N 1.483 121.928 120.400 0.075 0.000 2.506 580 D HA -0.079 4.560 4.640 -0.002 0.000 0.234 580 D C 0.193 176.553 176.300 0.100 0.000 1.143 580 D CA 0.455 54.491 54.000 0.060 0.000 0.871 580 D CB 0.722 41.538 40.800 0.028 0.000 1.190 580 D HN -0.041 nan 8.370 nan 0.000 0.459 581 K N 2.380 122.723 120.400 -0.096 0.000 2.520 581 K HA 0.037 4.355 4.320 -0.002 0.000 0.205 581 K C 0.239 176.428 176.600 -0.686 0.000 1.035 581 K CA -0.095 55.801 56.287 -0.652 0.000 1.188 581 K CB 0.649 32.809 32.500 -0.566 0.000 0.894 581 K HN 0.348 nan 8.250 nan 0.000 0.497 582 D N 0.485 120.791 120.400 -0.158 0.000 2.392 582 D HA 0.069 4.708 4.640 -0.002 0.000 0.206 582 D C 1.744 178.103 176.300 0.098 0.000 1.046 582 D CA 0.216 54.214 54.000 -0.003 0.000 0.865 582 D CB 0.501 41.370 40.800 0.116 0.000 0.969 582 D HN 0.144 nan 8.370 nan 0.000 0.509 583 L N 0.385 121.753 121.223 0.242 0.000 2.042 583 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 583 L C 2.289 179.365 176.870 0.343 0.000 1.076 583 L CA 1.064 56.073 54.840 0.281 0.000 0.749 583 L CB -0.617 41.625 42.059 0.305 0.000 0.893 583 L HN 0.057 nan 8.230 nan 0.000 0.432 584 F N 0.622 120.572 119.950 -0.000 0.000 2.037 584 F HA -0.271 4.255 4.527 -0.002 0.000 0.296 584 F C -0.036 175.707 175.800 -0.094 0.000 1.132 584 F CA 1.010 58.933 58.000 -0.127 0.000 1.211 584 F CB -2.198 36.750 39.000 -0.088 0.000 0.951 584 F HN 0.214 nan 8.300 nan 0.000 0.503 585 P HA -0.012 nan 4.420 nan 0.000 0.245 585 P C 1.392 178.679 177.300 -0.020 0.000 1.206 585 P CA 0.810 63.962 63.100 0.087 0.000 0.781 585 P CB 0.188 31.973 31.700 0.141 0.000 0.994 586 L N -0.523 120.645 121.223 -0.091 0.000 2.249 586 L HA 0.125 4.464 4.340 -0.002 0.000 0.207 586 L C 2.309 179.183 176.870 0.006 0.000 1.090 586 L CA 1.182 55.887 54.840 -0.224 0.000 0.802 586 L CB -1.268 40.630 42.059 -0.269 0.000 0.947 586 L HN -0.184 nan 8.230 nan 0.000 0.453 587 L N -0.692 120.586 121.223 0.091 0.000 2.046 587 L HA -0.176 4.162 4.340 -0.002 0.000 0.208 587 L C 2.446 179.331 176.870 0.025 0.000 1.077 587 L CA 1.159 56.063 54.840 0.107 0.000 0.747 587 L CB -0.600 41.519 42.059 0.100 0.000 0.896 587 L HN 0.300 nan 8.230 nan 0.000 0.432 588 E N -0.622 119.581 120.200 0.005 0.000 2.160 588 E HA -0.286 4.062 4.350 -0.002 0.000 0.195 588 E C 2.260 178.862 176.600 0.003 0.000 0.991 588 E CA 1.706 58.103 56.400 -0.005 0.000 0.810 588 E CB -0.367 29.335 29.700 0.004 0.000 0.742 588 E HN 0.585 nan 8.360 nan 0.000 0.466 589 C N 0.371 119.678 119.300 0.010 0.000 2.486 589 C HA 0.026 4.485 4.460 -0.002 0.000 0.279 589 C C 2.645 177.647 174.990 0.019 0.000 1.302 589 C CA 0.126 59.165 59.018 0.035 0.000 1.720 589 C CB -0.950 26.819 27.740 0.048 0.000 2.030 589 C HN 0.304 nan 8.230 nan 0.000 0.490 590 L N 0.770 121.993 121.223 -0.001 0.000 2.217 590 L HA -0.034 4.305 4.340 -0.002 0.000 0.211 590 L C 2.897 179.678 176.870 -0.150 0.000 1.107 590 L CA 1.456 56.276 54.840 -0.033 0.000 0.783 590 L CB -0.566 41.476 42.059 -0.028 0.000 0.919 590 L HN 0.435 nan 8.230 nan 0.000 0.442 591 S N -0.636 115.001 115.700 -0.106 0.000 2.359 591 S HA -0.220 4.249 4.470 -0.002 0.000 0.224 591 S C 2.253 176.771 174.600 -0.137 0.000 1.035 591 S CA 2.043 60.166 58.200 -0.129 0.000 1.018 591 S CB -0.113 63.045 63.200 -0.070 0.000 0.876 591 S HN 0.428 nan 8.310 nan 0.000 0.448 592 S N 0.555 116.207 115.700 -0.081 0.000 2.348 592 S HA -0.066 4.403 4.470 -0.002 0.000 0.221 592 S C 1.945 176.500 174.600 -0.075 0.000 1.033 592 S CA 1.427 59.592 58.200 -0.057 0.000 1.010 592 S CB -0.652 62.541 63.200 -0.013 0.000 0.891 592 S HN 0.418 nan 8.310 nan 0.000 0.442 593 V N 2.149 122.023 119.914 -0.067 0.000 2.332 593 V HA -0.247 3.871 4.120 -0.002 0.000 0.248 593 V C 2.627 178.627 176.094 -0.157 0.000 1.055 593 V CA 1.760 64.036 62.300 -0.039 0.000 1.038 593 V CB -1.254 30.598 31.823 0.049 0.000 0.651 593 V HN 0.540 nan 8.190 nan 0.000 0.450 594 A N -0.276 122.253 122.820 -0.486 0.000 1.865 594 A HA -0.265 4.053 4.320 -0.002 0.000 0.217 594 A C 2.411 179.787 177.584 -0.346 0.000 1.191 594 A CA 2.708 54.206 52.037 -0.899 0.000 0.623 594 A CB -1.150 17.088 19.000 -1.271 0.000 0.826 594 A HN 0.505 nan 8.150 nan 0.000 0.444 595 T N 0.351 114.771 114.554 -0.222 0.000 2.684 595 T HA -0.090 4.259 4.350 -0.002 0.000 0.267 595 T C 2.194 176.872 174.700 -0.037 0.000 1.036 595 T CA 1.901 63.939 62.100 -0.103 0.000 1.148 595 T CB -0.508 68.313 68.868 -0.079 0.000 0.863 595 T HN 0.626 nan 8.240 nan 0.000 0.436 596 A N 1.067 123.875 122.820 -0.019 0.000 1.898 596 A HA 0.110 4.428 4.320 -0.002 0.000 0.216 596 A C 2.211 179.839 177.584 0.073 0.000 1.181 596 A CA 1.008 53.068 52.037 0.039 0.000 0.620 596 A CB -0.694 18.333 19.000 0.046 0.000 0.819 596 A HN 0.491 nan 8.150 nan 0.000 0.442 597 L N -1.327 119.941 121.223 0.075 0.000 2.552 597 L HA -0.092 4.247 4.340 -0.002 0.000 0.227 597 L C 1.369 178.320 176.870 0.134 0.000 1.146 597 L CA 0.406 55.327 54.840 0.134 0.000 0.858 597 L CB -0.658 41.527 42.059 0.210 0.000 0.969 597 L HN 0.526 nan 8.230 nan 0.000 0.451 598 Q N -0.168 119.683 119.800 0.085 0.000 2.059 598 Q HA -0.409 3.929 4.340 -0.002 0.000 0.424 598 Q C 1.720 177.796 176.000 0.126 0.000 0.752 598 Q CA 2.613 58.464 55.803 0.080 0.000 0.867 598 Q CB -1.180 27.601 28.738 0.072 0.000 3.364 598 Q HN 0.501 nan 8.270 nan 0.000 0.848 599 S N -0.483 115.284 115.700 0.112 0.000 2.442 599 S HA -0.064 4.404 4.470 -0.002 0.000 0.236 599 S C 1.631 176.318 174.600 0.146 0.000 1.007 599 S CA 1.066 59.336 58.200 0.117 0.000 0.965 599 S CB -0.456 62.794 63.200 0.082 0.000 0.773 599 S HN 0.713 nan 8.310 nan 0.000 0.504 600 G N -0.163 108.736 108.800 0.165 0.000 2.679 600 G HA2 0.030 3.989 3.960 -0.002 0.000 0.212 600 G HA3 0.030 3.989 3.960 -0.002 0.000 0.212 600 G C 0.832 175.886 174.900 0.257 0.000 1.137 600 G CA 0.010 45.218 45.100 0.179 0.000 0.787 600 G HN 0.534 nan 8.290 nan 0.000 0.534 601 F N 0.579 120.600 119.950 0.119 0.000 2.615 601 F HA 0.294 4.820 4.527 -0.002 0.000 0.297 601 F C 2.134 178.040 175.800 0.177 0.000 1.124 601 F CA -0.074 58.018 58.000 0.153 0.000 1.451 601 F CB 0.056 39.102 39.000 0.077 0.000 1.103 601 F HN 0.067 nan 8.300 nan 0.000 0.569 602 L N 1.144 122.468 121.223 0.169 0.000 2.010 602 L HA -0.248 4.090 4.340 -0.002 0.000 0.219 602 L C -0.642 176.170 176.870 -0.096 0.000 1.077 602 L CA 1.952 56.822 54.840 0.051 0.000 0.773 602 L CB -1.440 40.643 42.059 0.041 0.000 0.892 602 L HN 0.057 nan 8.230 nan 0.000 0.436 603 P HA -0.122 nan 4.420 nan 0.000 0.230 603 P C 0.130 177.044 177.300 -0.643 0.000 1.158 603 P CA 1.361 64.196 63.100 -0.441 0.000 0.769 603 P CB -0.019 31.308 31.700 -0.621 0.000 0.807 604 Y N -2.488 117.578 120.300 -0.391 0.000 2.500 604 Y HA 0.128 4.677 4.550 -0.002 0.000 0.246 604 Y C 2.241 177.805 175.900 -0.560 0.000 1.146 604 Y CA -0.342 57.444 58.100 -0.523 0.000 1.230 604 Y CB -1.039 36.976 38.460 -0.741 0.000 1.214 604 Y HN 0.091 nan 8.280 nan 0.000 0.526 605 C N -0.298 118.837 119.300 -0.274 0.000 2.468 605 C HA -0.021 4.437 4.460 -0.002 0.000 0.277 605 C C 2.456 177.483 174.990 0.063 0.000 1.400 605 C CA 0.665 59.693 59.018 0.018 0.000 1.770 605 C CB -0.572 27.305 27.740 0.229 0.000 1.905 605 C HN 0.568 nan 8.230 nan 0.000 0.519 606 E N 3.547 123.743 120.200 -0.008 0.000 2.068 606 E HA -0.218 4.131 4.350 -0.002 0.000 0.207 606 E C -0.287 176.389 176.600 0.126 0.000 1.032 606 E CA 3.147 59.568 56.400 0.034 0.000 0.839 606 E CB -1.245 28.450 29.700 -0.009 0.000 0.758 606 E HN 0.536 nan 8.360 nan 0.000 0.457 607 P HA -0.009 nan 4.420 nan 0.000 0.222 607 P C 1.719 179.230 177.300 0.352 0.000 1.157 607 P CA 0.689 63.948 63.100 0.264 0.000 0.816 607 P CB -0.013 31.899 31.700 0.352 0.000 0.813 608 V N -0.956 118.996 119.914 0.065 0.000 2.515 608 V HA -0.236 3.883 4.120 -0.002 0.000 0.250 608 V C 2.318 178.549 176.094 0.228 0.000 1.058 608 V CA 1.543 63.833 62.300 -0.017 0.000 1.064 608 V CB -1.090 30.554 31.823 -0.298 0.000 0.675 608 V HN -0.040 nan 8.190 nan 0.000 0.461 609 Y N 1.618 121.993 120.300 0.124 0.000 2.070 609 Y HA -0.320 4.228 4.550 -0.002 0.000 0.279 609 Y C 2.745 178.726 175.900 0.136 0.000 1.134 609 Y CA 2.627 60.798 58.100 0.118 0.000 1.113 609 Y CB -0.528 37.986 38.460 0.091 0.000 0.981 609 Y HN 0.526 nan 8.280 nan 0.000 0.487 610 Q N -0.158 119.833 119.800 0.318 0.000 2.124 610 Q HA -0.252 4.087 4.340 -0.002 0.000 0.202 610 Q C 2.162 178.234 176.000 0.119 0.000 0.977 610 Q CA 1.736 57.658 55.803 0.198 0.000 0.850 610 Q CB -0.522 28.363 28.738 0.244 0.000 0.901 610 Q HN 0.309 nan 8.270 nan 0.000 0.429 611 R N 0.782 121.414 120.500 0.220 0.000 2.115 611 R HA -0.025 4.314 4.340 -0.002 0.000 0.230 611 R C 1.795 178.179 176.300 0.141 0.000 1.111 611 R CA 1.704 57.928 56.100 0.207 0.000 0.976 611 R CB -0.904 29.622 30.300 0.376 0.000 0.870 611 R HN 0.437 nan 8.270 nan 0.000 0.445 612 C N -0.843 118.527 119.300 0.117 0.000 2.489 612 C HA 0.005 4.464 4.460 -0.002 0.000 0.279 612 C C 2.564 177.523 174.990 -0.053 0.000 1.266 612 C CA 0.792 59.830 59.018 0.033 0.000 1.707 612 C CB -0.696 27.039 27.740 -0.007 0.000 2.059 612 C HN 0.400 nan 8.230 nan 0.000 0.481 613 V N 2.080 121.899 119.914 -0.159 0.000 2.324 613 V HA -0.273 3.846 4.120 -0.002 0.000 0.250 613 V C 2.170 178.234 176.094 -0.050 0.000 1.060 613 V CA 2.271 64.483 62.300 -0.145 0.000 1.042 613 V CB -1.034 30.671 31.823 -0.196 0.000 0.650 613 V HN 0.505 nan 8.190 nan 0.000 0.450 614 N N 0.322 119.011 118.700 -0.018 0.000 2.037 614 N HA -0.164 4.575 4.740 -0.002 0.000 0.196 614 N C 1.795 177.303 175.510 -0.002 0.000 1.034 614 N CA 1.529 54.580 53.050 0.002 0.000 0.861 614 N CB -0.578 37.920 38.487 0.019 0.000 1.039 614 N HN 0.298 nan 8.380 nan 0.000 0.427 615 L N 0.825 122.053 121.223 0.008 0.000 2.012 615 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 615 L C 2.251 179.122 176.870 0.001 0.000 1.073 615 L CA 1.200 56.048 54.840 0.013 0.000 0.748 615 L CB -1.018 41.075 42.059 0.057 0.000 0.891 615 L HN 0.026 nan 8.230 nan 0.000 0.431 616 V N -0.518 119.392 119.914 -0.006 0.000 2.332 616 V HA -0.333 3.786 4.120 -0.002 0.000 0.248 616 V C 2.533 178.616 176.094 -0.017 0.000 1.055 616 V CA 1.900 64.192 62.300 -0.015 0.000 1.038 616 V CB -0.556 31.251 31.823 -0.027 0.000 0.651 616 V HN 0.514 nan 8.190 nan 0.000 0.450 617 Q N -0.233 119.558 119.800 -0.016 0.000 2.049 617 Q HA -0.227 4.112 4.340 -0.002 0.000 0.198 617 Q C 2.297 178.284 176.000 -0.020 0.000 0.971 617 Q CA 1.588 57.383 55.803 -0.015 0.000 0.833 617 Q CB -0.031 28.702 28.738 -0.008 0.000 0.896 617 Q HN 0.485 nan 8.270 nan 0.000 0.434 618 K N -0.465 119.922 120.400 -0.021 0.000 2.034 618 K HA -0.163 4.156 4.320 -0.002 0.000 0.214 618 K C 1.975 178.554 176.600 -0.034 0.000 1.051 618 K CA 2.251 58.522 56.287 -0.027 0.000 0.931 618 K CB -0.393 32.085 32.500 -0.037 0.000 0.715 618 K HN 0.261 nan 8.250 nan 0.000 0.446 619 T N 0.665 115.196 114.554 -0.039 0.000 2.904 619 T HA -0.029 4.320 4.350 -0.002 0.000 0.267 619 T C 1.740 176.420 174.700 -0.033 0.000 1.059 619 T CA 0.945 63.020 62.100 -0.041 0.000 1.137 619 T CB -0.073 68.777 68.868 -0.031 0.000 0.879 619 T HN 0.063 nan 8.240 nan 0.000 0.467 620 L N 0.592 121.796 121.223 -0.032 0.000 2.068 620 L HA 0.083 4.421 4.340 -0.002 0.000 0.204 620 L C 3.053 179.898 176.870 -0.041 0.000 1.076 620 L CA 0.977 55.795 54.840 -0.036 0.000 0.753 620 L CB -0.606 41.433 42.059 -0.034 0.000 0.910 620 L HN 0.220 nan 8.230 nan 0.000 0.439 621 A N -0.754 122.041 122.820 -0.043 0.000 1.877 621 A HA -0.236 4.082 4.320 -0.002 0.000 0.216 621 A C 2.235 179.774 177.584 -0.075 0.000 1.186 621 A CA 1.358 53.358 52.037 -0.061 0.000 0.620 621 A CB -0.490 18.474 19.000 -0.059 0.000 0.822 621 A HN 0.395 nan 8.150 nan 0.000 0.443 622 Q N -0.608 119.169 119.800 -0.039 0.000 2.062 622 Q HA -0.266 4.072 4.340 -0.002 0.000 0.209 622 Q C 2.502 178.503 176.000 0.001 0.000 0.996 622 Q CA 2.000 57.809 55.803 0.010 0.000 0.859 622 Q CB -0.592 28.161 28.738 0.026 0.000 0.920 622 Q HN 0.673 nan 8.270 nan 0.000 0.415 623 A N 0.610 123.420 122.820 -0.017 0.000 1.877 623 A HA -0.180 4.139 4.320 -0.002 0.000 0.216 623 A C 2.152 179.719 177.584 -0.028 0.000 1.186 623 A CA 1.481 53.507 52.037 -0.018 0.000 0.620 623 A CB -0.582 18.402 19.000 -0.027 0.000 0.822 623 A HN 0.326 nan 8.150 nan 0.000 0.443 624 M N -0.768 118.805 119.600 -0.045 0.000 2.082 624 M HA -0.180 4.298 4.480 -0.002 0.000 0.258 624 M C 2.165 178.430 176.300 -0.059 0.000 1.069 624 M CA 1.656 56.924 55.300 -0.052 0.000 1.102 624 M CB -0.438 32.125 32.600 -0.062 0.000 1.336 624 M HN 0.450 nan 8.290 nan 0.000 0.404 625 L N -0.562 120.608 121.223 -0.089 0.000 2.046 625 L HA -0.261 4.077 4.340 -0.002 0.000 0.208 625 L C 2.228 179.079 176.870 -0.032 0.000 1.077 625 L CA 1.261 56.033 54.840 -0.114 0.000 0.747 625 L CB -0.858 41.031 42.059 -0.283 0.000 0.896 625 L HN 0.477 nan 8.230 nan 0.000 0.432 626 N N 0.421 119.125 118.700 0.007 0.000 2.348 626 N HA -0.237 4.502 4.740 -0.002 0.000 0.185 626 N C 1.395 176.913 175.510 0.014 0.000 1.019 626 N CA 0.962 54.033 53.050 0.036 0.000 0.880 626 N CB -0.026 38.485 38.487 0.040 0.000 0.965 626 N HN 0.357 nan 8.380 nan 0.000 0.437 627 N N -0.662 118.036 118.700 -0.004 0.000 2.515 627 N HA 0.030 4.768 4.740 -0.002 0.000 0.185 627 N C 0.594 176.101 175.510 -0.005 0.000 1.109 627 N CA 0.633 53.679 53.050 -0.007 0.000 0.903 627 N CB 0.186 38.663 38.487 -0.017 0.000 0.969 627 N HN 0.247 nan 8.380 nan 0.000 0.450 628 A N -1.268 121.550 122.820 -0.004 0.000 2.701 628 A HA 0.228 4.546 4.320 -0.002 0.000 0.241 628 A C 0.574 178.164 177.584 0.010 0.000 1.231 628 A CA -0.270 51.767 52.037 -0.001 0.000 1.003 628 A CB 0.495 19.488 19.000 -0.011 0.000 1.281 628 A HN 0.191 nan 8.150 nan 0.000 0.600 629 Q N 0.131 119.945 119.800 0.023 0.000 2.155 629 Q HA 0.152 4.491 4.340 -0.002 0.000 0.273 629 Q C -2.206 173.830 176.000 0.061 0.000 0.857 629 Q CA -1.411 54.423 55.803 0.052 0.000 1.116 629 Q CB 0.579 29.370 28.738 0.089 0.000 1.209 629 Q HN 0.286 nan 8.270 nan 0.000 0.460 630 P HA -0.077 nan 4.420 nan 0.000 0.277 630 P C -0.240 177.077 177.300 0.029 0.000 1.617 630 P CA 0.930 64.049 63.100 0.033 0.000 0.829 630 P CB -0.183 31.531 31.700 0.022 0.000 1.774 631 D N -3.305 117.117 120.400 0.037 0.000 2.116 631 D HA -0.022 4.617 4.640 -0.002 0.000 0.347 631 D C 1.152 177.473 176.300 0.034 0.000 1.045 631 D CA 0.181 54.198 54.000 0.029 0.000 0.885 631 D CB -0.131 40.685 40.800 0.026 0.000 1.654 631 D HN -0.064 nan 8.370 nan 0.000 0.533 632 Q N -0.574 119.263 119.800 0.062 0.000 2.514 632 Q HA 0.194 4.533 4.340 -0.002 0.000 0.208 632 Q C -0.244 175.813 176.000 0.094 0.000 0.938 632 Q CA 0.453 56.307 55.803 0.086 0.000 0.892 632 Q CB 0.804 29.621 28.738 0.131 0.000 1.050 632 Q HN 0.206 nan 8.270 nan 0.000 0.595 633 Y N 1.150 121.443 120.300 -0.012 0.000 2.361 633 Y HA 0.240 4.788 4.550 -0.002 0.000 0.332 633 Y C 0.026 175.915 175.900 -0.019 0.000 1.101 633 Y CA -0.601 57.489 58.100 -0.017 0.000 1.137 633 Y CB 1.345 39.793 38.460 -0.020 0.000 1.207 633 Y HN -0.027 nan 8.280 nan 0.000 0.463 634 E N 2.153 122.362 120.200 0.014 0.000 2.266 634 E HA 0.571 4.920 4.350 -0.002 0.000 0.277 634 E C -0.842 175.780 176.600 0.036 0.000 1.018 634 E CA -0.864 55.537 56.400 0.001 0.000 0.840 634 E CB 0.939 30.600 29.700 -0.064 0.000 1.082 634 E HN 0.795 nan 8.360 nan 0.000 0.395 635 A N 5.644 128.477 122.820 0.021 0.000 2.548 635 A HA 0.172 4.491 4.320 -0.002 0.000 0.247 635 A C -2.062 175.520 177.584 -0.004 0.000 1.067 635 A CA -0.877 51.169 52.037 0.015 0.000 0.757 635 A CB -0.329 18.677 19.000 0.009 0.000 0.996 635 A HN 0.446 nan 8.150 nan 0.000 0.504 636 P HA 0.196 nan 4.420 nan 0.000 0.279 636 P C -0.856 176.423 177.300 -0.036 0.000 1.252 636 P CA -0.504 62.569 63.100 -0.046 0.000 0.811 636 P CB 0.733 32.405 31.700 -0.047 0.000 1.035 637 D N 1.210 121.572 120.400 -0.065 0.000 2.352 637 D HA 0.042 4.681 4.640 -0.002 0.000 0.245 637 D C 0.789 177.155 176.300 0.110 0.000 1.224 637 D CA 0.005 54.033 54.000 0.046 0.000 0.879 637 D CB 0.385 41.263 40.800 0.130 0.000 1.057 637 D HN 0.175 nan 8.370 nan 0.000 0.491 638 K N 2.165 122.606 120.400 0.068 0.000 2.486 638 K HA -0.051 4.267 4.320 -0.002 0.000 0.194 638 K C 0.524 177.157 176.600 0.055 0.000 1.033 638 K CA 0.327 56.642 56.287 0.047 0.000 1.004 638 K CB 0.487 32.990 32.500 0.006 0.000 0.798 638 K HN 0.348 nan 8.250 nan 0.000 0.495 639 D N 0.192 120.636 120.400 0.073 0.000 2.269 639 D HA -0.096 4.543 4.640 -0.002 0.000 0.208 639 D C 1.236 177.489 176.300 -0.079 0.000 0.963 639 D CA 0.860 54.847 54.000 -0.021 0.000 0.864 639 D CB -0.077 40.675 40.800 -0.079 0.000 0.936 639 D HN 0.106 nan 8.370 nan 0.000 0.505 640 F N 0.281 120.150 119.950 -0.136 0.000 2.186 640 F HA 0.006 4.532 4.527 -0.002 0.000 0.299 640 F C 2.405 178.147 175.800 -0.097 0.000 1.090 640 F CA 0.603 58.511 58.000 -0.152 0.000 1.307 640 F CB -0.324 38.559 39.000 -0.195 0.000 1.019 640 F HN -0.102 nan 8.300 nan 0.000 0.489 641 M N -0.091 119.576 119.600 0.113 0.000 2.099 641 M HA -0.178 4.301 4.480 -0.002 0.000 0.262 641 M C 2.092 178.390 176.300 -0.003 0.000 1.067 641 M CA 1.855 57.176 55.300 0.035 0.000 1.124 641 M CB -0.343 32.263 32.600 0.010 0.000 1.353 641 M HN 0.105 nan 8.290 nan 0.000 0.410 642 I N -0.341 120.218 120.570 -0.018 0.000 2.286 642 I HA -0.254 3.914 4.170 -0.002 0.000 0.248 642 I C 2.258 178.347 176.117 -0.045 0.000 1.115 642 I CA 1.370 62.647 61.300 -0.038 0.000 1.392 642 I CB -0.562 37.412 38.000 -0.043 0.000 1.065 642 I HN 0.330 nan 8.210 nan 0.000 0.418 643 V N -0.907 118.970 119.914 -0.062 0.000 2.379 643 V HA -0.115 4.003 4.120 -0.002 0.000 0.245 643 V C 2.618 178.693 176.094 -0.032 0.000 1.044 643 V CA 1.460 63.721 62.300 -0.065 0.000 1.036 643 V CB -1.408 30.348 31.823 -0.111 0.000 0.664 643 V HN 0.305 nan 8.190 nan 0.000 0.453 644 A N 0.869 123.680 122.820 -0.014 0.000 1.908 644 A HA -0.074 4.245 4.320 -0.002 0.000 0.218 644 A C 2.274 179.848 177.584 -0.017 0.000 1.181 644 A CA 2.247 54.284 52.037 0.001 0.000 0.627 644 A CB -0.763 18.246 19.000 0.015 0.000 0.818 644 A HN 0.576 nan 8.150 nan 0.000 0.445 645 L N -0.528 120.681 121.223 -0.023 0.000 2.042 645 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 645 L C 2.109 178.969 176.870 -0.016 0.000 1.076 645 L CA 1.603 56.428 54.840 -0.025 0.000 0.749 645 L CB -0.618 41.421 42.059 -0.034 0.000 0.893 645 L HN 0.310 nan 8.230 nan 0.000 0.432 646 D N -0.370 120.016 120.400 -0.023 0.000 2.144 646 D HA -0.153 4.486 4.640 -0.002 0.000 0.200 646 D C 1.995 178.279 176.300 -0.025 0.000 0.978 646 D CA 0.832 54.816 54.000 -0.026 0.000 0.833 646 D CB -0.146 40.632 40.800 -0.037 0.000 0.961 646 D HN 0.095 nan 8.370 nan 0.000 0.470 647 L N 0.449 121.658 121.223 -0.024 0.000 2.093 647 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 647 L C 1.800 178.665 176.870 -0.007 0.000 1.085 647 L CA 1.297 56.120 54.840 -0.028 0.000 0.755 647 L CB -0.700 41.352 42.059 -0.012 0.000 0.904 647 L HN -0.044 nan 8.230 nan 0.000 0.435 648 L N -0.658 120.567 121.223 0.005 0.000 2.046 648 L HA -0.129 4.209 4.340 -0.002 0.000 0.208 648 L C 2.661 179.567 176.870 0.061 0.000 1.077 648 L CA 1.653 56.515 54.840 0.037 0.000 0.747 648 L CB -1.492 40.565 42.059 -0.004 0.000 0.896 648 L HN 0.248 nan 8.230 nan 0.000 0.432 649 S N -0.510 115.211 115.700 0.036 0.000 2.383 649 S HA -0.150 4.319 4.470 -0.002 0.000 0.229 649 S C 1.898 176.520 174.600 0.036 0.000 1.030 649 S CA 1.266 59.494 58.200 0.047 0.000 1.002 649 S CB -0.501 62.714 63.200 0.025 0.000 0.829 649 S HN 0.621 nan 8.310 nan 0.000 0.467 650 G N 0.432 109.233 108.800 0.002 0.000 2.494 650 G HA2 0.066 4.025 3.960 -0.002 0.000 0.216 650 G HA3 0.066 4.025 3.960 -0.002 0.000 0.216 650 G C 1.292 176.175 174.900 -0.028 0.000 1.140 650 G CA -0.006 45.076 45.100 -0.029 0.000 0.801 650 G HN 0.408 nan 8.290 nan 0.000 0.536 651 L N 0.582 121.807 121.223 0.003 0.000 2.109 651 L HA 0.040 4.378 4.340 -0.002 0.000 0.207 651 L C 3.254 180.178 176.870 0.091 0.000 1.086 651 L CA 0.993 55.864 54.840 0.051 0.000 0.760 651 L CB -0.144 41.999 42.059 0.141 0.000 0.910 651 L HN 0.292 nan 8.230 nan 0.000 0.437 652 A N -0.734 122.149 122.820 0.104 0.000 1.970 652 A HA -0.187 4.132 4.320 -0.002 0.000 0.216 652 A C 2.199 179.839 177.584 0.093 0.000 1.170 652 A CA 1.264 53.368 52.037 0.111 0.000 0.645 652 A CB -0.273 18.806 19.000 0.132 0.000 0.816 652 A HN 0.402 nan 8.150 nan 0.000 0.447 653 E N -0.828 119.417 120.200 0.075 0.000 2.216 653 E HA -0.023 4.325 4.350 -0.002 0.000 0.192 653 E C 1.787 178.416 176.600 0.048 0.000 0.988 653 E CA 0.745 57.184 56.400 0.067 0.000 0.834 653 E CB -0.128 29.600 29.700 0.046 0.000 0.772 653 E HN 0.541 nan 8.360 nan 0.000 0.479 654 G N -0.384 108.438 108.800 0.037 0.000 2.656 654 G HA2 -0.018 3.940 3.960 -0.002 0.000 0.211 654 G HA3 -0.018 3.940 3.960 -0.002 0.000 0.211 654 G C 1.067 176.005 174.900 0.063 0.000 1.137 654 G CA -0.091 45.030 45.100 0.035 0.000 0.802 654 G HN 0.089 nan 8.290 nan 0.000 0.527 655 L N 0.891 122.160 121.223 0.076 0.000 2.693 655 L HA 0.373 4.711 4.340 -0.002 0.000 0.235 655 L C 2.078 178.991 176.870 0.071 0.000 1.127 655 L CA 0.452 55.344 54.840 0.086 0.000 0.914 655 L CB -0.021 42.099 42.059 0.103 0.000 1.193 655 L HN 0.294 nan 8.230 nan 0.000 0.502 656 G N 0.680 109.522 108.800 0.070 0.000 2.693 656 G HA2 -0.455 3.504 3.960 -0.002 0.000 0.354 656 G HA3 -0.455 3.504 3.960 -0.002 0.000 0.354 656 G C 1.308 176.251 174.900 0.070 0.000 1.207 656 G CA 0.738 45.880 45.100 0.069 0.000 0.958 656 G HN 0.444 nan 8.290 nan 0.000 0.560 657 G N 0.213 109.050 108.800 0.062 0.000 2.440 657 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.218 657 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.218 657 G C 1.572 176.508 174.900 0.059 0.000 1.154 657 G CA 1.557 46.694 45.100 0.061 0.000 0.767 657 G HN 0.763 nan 8.290 nan 0.000 0.552 658 N N 0.014 118.742 118.700 0.046 0.000 2.348 658 N HA -0.078 4.661 4.740 -0.002 0.000 0.185 658 N C 1.837 177.350 175.510 0.006 0.000 1.019 658 N CA 0.532 53.599 53.050 0.028 0.000 0.880 658 N CB -0.114 38.389 38.487 0.027 0.000 0.965 658 N HN 0.312 nan 8.380 nan 0.000 0.437 659 I N 1.568 122.148 120.570 0.016 0.000 2.614 659 I HA -0.228 3.940 4.170 -0.002 0.000 0.258 659 I C 1.940 178.022 176.117 -0.059 0.000 1.189 659 I CA 0.868 62.148 61.300 -0.034 0.000 1.462 659 I CB -0.236 37.782 38.000 0.030 0.000 1.092 659 I HN 0.186 nan 8.210 nan 0.000 0.442 660 E N -0.197 120.027 120.200 0.040 0.000 2.086 660 E HA -0.325 4.023 4.350 -0.002 0.000 0.200 660 E C 1.975 178.527 176.600 -0.082 0.000 1.012 660 E CA 1.736 58.209 56.400 0.121 0.000 0.812 660 E CB -0.880 28.997 29.700 0.294 0.000 0.743 660 E HN 0.478 nan 8.360 nan 0.000 0.453 661 Q N 0.043 119.805 119.800 -0.063 0.000 2.135 661 Q HA -0.088 4.251 4.340 -0.002 0.000 0.204 661 Q C 2.379 178.259 176.000 -0.200 0.000 0.981 661 Q CA 1.542 57.281 55.803 -0.107 0.000 0.856 661 Q CB -0.113 28.583 28.738 -0.070 0.000 0.902 661 Q HN 0.458 nan 8.270 nan 0.000 0.425 662 L N -0.919 120.119 121.223 -0.308 0.000 2.162 662 L HA -0.083 4.255 4.340 -0.002 0.000 0.205 662 L C 2.379 179.007 176.870 -0.402 0.000 1.086 662 L CA 0.303 54.825 54.840 -0.531 0.000 0.778 662 L CB -0.284 41.108 42.059 -1.112 0.000 0.928 662 L HN -0.051 nan 8.230 nan 0.000 0.446 663 V N 0.133 119.876 119.914 -0.285 0.000 2.427 663 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 663 V C 2.724 178.693 176.094 -0.209 0.000 1.051 663 V CA 1.722 63.972 62.300 -0.084 0.000 1.048 663 V CB -0.775 31.029 31.823 -0.031 0.000 0.666 663 V HN 0.459 nan 8.190 nan 0.000 0.456 664 A N 1.699 124.221 122.820 -0.498 0.000 1.841 664 A HA -0.225 4.093 4.320 -0.002 0.000 0.216 664 A C 1.998 179.496 177.584 -0.143 0.000 1.199 664 A CA 1.917 53.682 52.037 -0.454 0.000 0.621 664 A CB -0.525 18.198 19.000 -0.462 0.000 0.835 664 A HN 0.701 nan 8.150 nan 0.000 0.445 665 R N 0.488 120.932 120.500 -0.094 0.000 3.907 665 R HA 0.249 4.587 4.340 -0.002 0.000 0.241 665 R C -0.384 175.940 176.300 0.040 0.000 1.784 665 R CA 0.586 56.675 56.100 -0.017 0.000 1.509 665 R CB -0.647 29.645 30.300 -0.013 0.000 1.275 665 R HN 0.424 nan 8.270 nan 0.000 0.642 666 S N 0.046 115.782 115.700 0.059 0.000 2.607 666 S HA 0.187 4.656 4.470 -0.002 0.000 0.273 666 S C -0.136 174.514 174.600 0.083 0.000 1.148 666 S CA -1.135 57.130 58.200 0.109 0.000 0.833 666 S CB 1.192 64.534 63.200 0.235 0.000 1.130 666 S HN 0.364 nan 8.310 nan 0.000 0.470 667 N N 0.552 119.296 118.700 0.073 0.000 2.362 667 N HA 0.028 4.767 4.740 -0.002 0.000 0.211 667 N C 1.069 176.627 175.510 0.079 0.000 1.170 667 N CA -0.264 52.826 53.050 0.066 0.000 0.828 667 N CB -0.505 38.013 38.487 0.050 0.000 1.034 667 N HN 0.613 nan 8.380 nan 0.000 0.475 668 I N 0.813 121.439 120.570 0.093 0.000 2.181 668 I HA -0.321 3.847 4.170 -0.002 0.000 0.247 668 I C 1.480 177.671 176.117 0.123 0.000 1.081 668 I CA 1.512 62.866 61.300 0.091 0.000 1.340 668 I CB -0.020 38.064 38.000 0.140 0.000 1.036 668 I HN 0.147 nan 8.210 nan 0.000 0.417 669 L N -0.831 120.489 121.223 0.162 0.000 2.179 669 L HA -0.044 4.294 4.340 -0.002 0.000 0.208 669 L C 2.323 179.358 176.870 0.275 0.000 1.096 669 L CA 1.484 56.481 54.840 0.261 0.000 0.779 669 L CB -1.484 40.744 42.059 0.281 0.000 0.922 669 L HN 0.115 nan 8.230 nan 0.000 0.443 670 T N 0.608 115.267 114.554 0.174 0.000 2.622 670 T HA -0.147 4.202 4.350 -0.002 0.000 0.266 670 T C 1.966 176.777 174.700 0.184 0.000 1.047 670 T CA 1.603 63.804 62.100 0.169 0.000 1.159 670 T CB -0.437 68.492 68.868 0.102 0.000 0.863 670 T HN 0.182 nan 8.240 nan 0.000 0.422 671 L N 0.370 121.663 121.223 0.118 0.000 2.017 671 L HA -0.085 4.253 4.340 -0.002 0.000 0.208 671 L C 2.754 179.673 176.870 0.082 0.000 1.073 671 L CA 1.362 56.245 54.840 0.071 0.000 0.745 671 L CB -0.667 41.412 42.059 0.033 0.000 0.894 671 L HN 0.255 nan 8.230 nan 0.000 0.432 672 M N -1.043 118.628 119.600 0.118 0.000 2.106 672 M HA -0.309 4.170 4.480 -0.002 0.000 0.259 672 M C 2.450 178.858 176.300 0.181 0.000 1.068 672 M CA 1.990 57.351 55.300 0.101 0.000 1.100 672 M CB -0.292 32.373 32.600 0.109 0.000 1.351 672 M HN 0.240 nan 8.290 nan 0.000 0.404 673 Y N 1.097 121.518 120.300 0.202 0.000 2.181 673 Y HA -0.255 4.293 4.550 -0.002 0.000 0.288 673 Y C 2.121 178.071 175.900 0.085 0.000 1.146 673 Y CA 2.011 60.256 58.100 0.242 0.000 1.164 673 Y CB -0.712 37.880 38.460 0.220 0.000 0.982 673 Y HN 0.400 nan 8.280 nan 0.000 0.515 674 Q N -1.541 118.237 119.800 -0.037 0.000 2.124 674 Q HA -0.197 4.141 4.340 -0.002 0.000 0.202 674 Q C 2.460 178.381 176.000 -0.131 0.000 0.977 674 Q CA 1.728 57.440 55.803 -0.152 0.000 0.850 674 Q CB -0.441 28.252 28.738 -0.074 0.000 0.901 674 Q HN 0.461 nan 8.270 nan 0.000 0.429 675 C N 0.423 119.668 119.300 -0.092 0.000 2.435 675 C HA -0.040 4.419 4.460 -0.002 0.000 0.279 675 C C 2.311 177.173 174.990 -0.214 0.000 1.321 675 C CA 0.513 59.453 59.018 -0.129 0.000 1.752 675 C CB -0.624 27.049 27.740 -0.111 0.000 1.959 675 C HN 0.544 nan 8.230 nan 0.000 0.500 676 M N 0.043 119.497 119.600 -0.242 0.000 2.686 676 M HA -0.092 4.387 4.480 -0.002 0.000 0.246 676 M C 1.594 177.770 176.300 -0.206 0.000 1.096 676 M CA 1.264 56.323 55.300 -0.402 0.000 1.076 676 M CB -0.424 32.001 32.600 -0.292 0.000 1.504 676 M HN 0.517 nan 8.290 nan 0.000 0.524 677 Q N -0.712 118.989 119.800 -0.165 0.000 2.185 677 Q HA 0.100 4.439 4.340 -0.002 0.000 0.234 677 Q C 0.118 176.053 176.000 -0.108 0.000 0.819 677 Q CA -0.295 55.438 55.803 -0.117 0.000 0.961 677 Q CB 0.880 29.526 28.738 -0.153 0.000 1.140 677 Q HN 0.304 nan 8.270 nan 0.000 0.492 678 D N 2.191 122.517 120.400 -0.124 0.000 2.525 678 D HA -0.105 4.534 4.640 -0.002 0.000 0.235 678 D C 0.904 177.144 176.300 -0.099 0.000 1.137 678 D CA 0.544 54.482 54.000 -0.103 0.000 0.868 678 D CB 0.964 41.702 40.800 -0.105 0.000 1.180 678 D HN 0.221 nan 8.370 nan 0.000 0.465 679 K N 3.583 123.936 120.400 -0.078 0.000 2.160 679 K HA -0.180 4.139 4.320 -0.002 0.000 0.206 679 K C 1.343 177.881 176.600 -0.103 0.000 1.047 679 K CA 0.695 56.937 56.287 -0.075 0.000 0.930 679 K CB -0.121 32.351 32.500 -0.045 0.000 0.720 679 K HN 0.454 nan 8.250 nan 0.000 0.450 680 M N 3.578 123.120 119.600 -0.096 0.000 2.194 680 M HA 0.083 4.562 4.480 -0.002 0.000 0.347 680 M C -1.910 174.300 176.300 -0.149 0.000 1.439 680 M CA -2.025 53.214 55.300 -0.102 0.000 1.131 680 M CB 0.990 33.550 32.600 -0.067 0.000 1.733 680 M HN -0.115 nan 8.290 nan 0.000 0.467 681 P HA -0.010 nan 4.420 nan 0.000 0.247 681 P C -0.153 177.071 177.300 -0.126 0.000 1.225 681 P CA 0.853 63.791 63.100 -0.271 0.000 0.768 681 P CB 0.162 31.555 31.700 -0.512 0.000 1.020 682 E N -0.860 119.288 120.200 -0.087 0.000 2.251 682 E HA -0.010 4.339 4.350 -0.002 0.000 0.194 682 E C 1.964 178.527 176.600 -0.062 0.000 0.964 682 E CA 0.380 56.749 56.400 -0.051 0.000 0.868 682 E CB -0.652 29.027 29.700 -0.036 0.000 0.828 682 E HN -0.021 nan 8.360 nan 0.000 0.481 683 V N 1.104 120.967 119.914 -0.086 0.000 2.283 683 V HA -0.195 3.923 4.120 -0.002 0.000 0.243 683 V C 2.087 178.086 176.094 -0.159 0.000 1.039 683 V CA 1.679 63.918 62.300 -0.102 0.000 1.016 683 V CB -0.428 31.336 31.823 -0.098 0.000 0.650 683 V HN 0.181 nan 8.190 nan 0.000 0.449 684 R N 0.054 120.435 120.500 -0.198 0.000 2.103 684 R HA -0.263 4.076 4.340 -0.002 0.000 0.242 684 R C 2.399 178.547 176.300 -0.254 0.000 1.142 684 R CA 1.967 57.856 56.100 -0.352 0.000 0.960 684 R CB -0.587 29.584 30.300 -0.214 0.000 0.858 684 R HN 0.595 nan 8.270 nan 0.000 0.439 685 Q N 0.749 120.537 119.800 -0.019 0.000 2.030 685 Q HA -0.165 4.173 4.340 -0.002 0.000 0.204 685 Q C 1.984 178.022 176.000 0.063 0.000 0.986 685 Q CA 2.123 57.986 55.803 0.101 0.000 0.843 685 Q CB -0.025 28.746 28.738 0.055 0.000 0.904 685 Q HN 0.234 nan 8.270 nan 0.000 0.420 686 S N 0.355 116.047 115.700 -0.013 0.000 2.423 686 S HA -0.101 4.368 4.470 -0.002 0.000 0.231 686 S C 1.974 176.562 174.600 -0.019 0.000 1.014 686 S CA 1.218 59.409 58.200 -0.015 0.000 0.965 686 S CB -0.128 63.051 63.200 -0.035 0.000 0.785 686 S HN 0.622 nan 8.310 nan 0.000 0.495 687 S N 0.242 115.886 115.700 -0.093 0.000 2.458 687 S HA 0.156 4.624 4.470 -0.002 0.000 0.223 687 S C 1.567 176.109 174.600 -0.098 0.000 1.019 687 S CA 0.062 58.184 58.200 -0.131 0.000 0.937 687 S CB -0.687 62.375 63.200 -0.231 0.000 0.788 687 S HN 0.503 nan 8.310 nan 0.000 0.511 688 F N 2.287 122.243 119.950 0.010 0.000 2.186 688 F HA 0.053 4.578 4.527 -0.002 0.000 0.299 688 F C 2.950 178.815 175.800 0.107 0.000 1.090 688 F CA 0.622 58.638 58.000 0.028 0.000 1.307 688 F CB -0.374 38.656 39.000 0.050 0.000 1.019 688 F HN 0.340 nan 8.300 nan 0.000 0.489 689 A N -0.010 122.989 122.820 0.298 0.000 1.940 689 A HA -0.212 4.106 4.320 -0.002 0.000 0.219 689 A C 2.002 179.752 177.584 0.277 0.000 1.176 689 A CA 1.520 53.723 52.037 0.277 0.000 0.631 689 A CB -0.910 18.143 19.000 0.089 0.000 0.814 689 A HN 0.365 nan 8.150 nan 0.000 0.446 690 L N -0.846 120.466 121.223 0.149 0.000 2.093 690 L HA -0.057 4.281 4.340 -0.002 0.000 0.208 690 L C 2.185 179.117 176.870 0.103 0.000 1.085 690 L CA 1.802 56.709 54.840 0.110 0.000 0.755 690 L CB -0.659 41.429 42.059 0.048 0.000 0.904 690 L HN 0.353 nan 8.230 nan 0.000 0.435 691 L N -0.075 121.183 121.223 0.058 0.000 1.989 691 L HA -0.064 4.274 4.340 -0.002 0.000 0.211 691 L C 2.356 179.218 176.870 -0.013 0.000 1.071 691 L CA 2.274 57.087 54.840 -0.046 0.000 0.749 691 L CB -1.521 40.459 42.059 -0.131 0.000 0.890 691 L HN 0.301 nan 8.230 nan 0.000 0.431 692 G N -1.203 107.615 108.800 0.030 0.000 2.459 692 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.217 692 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.217 692 G C 1.342 176.217 174.900 -0.042 0.000 1.183 692 G CA 0.884 45.816 45.100 -0.280 0.000 0.776 692 G HN 0.450 nan 8.290 nan 0.000 0.552 693 D N 0.192 120.759 120.400 0.278 0.000 2.182 693 D HA -0.057 4.582 4.640 -0.002 0.000 0.201 693 D C 2.560 178.948 176.300 0.147 0.000 0.986 693 D CA 0.499 54.649 54.000 0.251 0.000 0.847 693 D CB -0.066 40.871 40.800 0.228 0.000 0.942 693 D HN 0.291 nan 8.370 nan 0.000 0.467 694 L N 0.209 121.505 121.223 0.122 0.000 2.162 694 L HA -0.067 4.271 4.340 -0.002 0.000 0.205 694 L C 2.399 179.363 176.870 0.156 0.000 1.086 694 L CA 0.782 55.705 54.840 0.137 0.000 0.778 694 L CB -0.525 41.615 42.059 0.136 0.000 0.928 694 L HN -0.006 nan 8.230 nan 0.000 0.446 695 T N -0.062 114.560 114.554 0.114 0.000 2.635 695 T HA -0.289 4.060 4.350 -0.002 0.000 0.267 695 T C 1.904 176.622 174.700 0.029 0.000 1.040 695 T CA 1.749 63.920 62.100 0.118 0.000 1.156 695 T CB -0.127 68.669 68.868 -0.120 0.000 0.863 695 T HN 0.223 nan 8.240 nan 0.000 0.430 696 K N 0.763 121.148 120.400 -0.026 0.000 2.002 696 K HA -0.045 4.273 4.320 -0.002 0.000 0.209 696 K C 2.520 179.154 176.600 0.056 0.000 1.048 696 K CA 1.313 57.594 56.287 -0.011 0.000 0.930 696 K CB -0.307 32.205 32.500 0.019 0.000 0.714 696 K HN 0.291 nan 8.250 nan 0.000 0.438 697 A N 0.484 123.359 122.820 0.093 0.000 1.854 697 A HA -0.081 4.238 4.320 -0.002 0.000 0.214 697 A C 1.374 179.028 177.584 0.117 0.000 1.192 697 A CA 1.211 53.309 52.037 0.102 0.000 0.611 697 A CB -0.290 18.777 19.000 0.111 0.000 0.832 697 A HN 0.633 nan 8.150 nan 0.000 0.442 698 C N -3.856 115.537 119.300 0.155 0.000 3.493 698 C HA 0.624 5.082 4.460 -0.002 0.000 0.228 698 C C 0.749 175.850 174.990 0.184 0.000 1.227 698 C CA -0.997 58.120 59.018 0.164 0.000 1.291 698 C CB -1.475 26.402 27.740 0.228 0.000 1.820 698 C HN 0.383 nan 8.230 nan 0.000 0.547 699 F N 3.305 123.260 119.950 0.007 0.000 2.333 699 F HA -0.130 4.396 4.527 -0.002 0.000 0.300 699 F C 2.636 178.415 175.800 -0.034 0.000 1.083 699 F CA 2.236 60.235 58.000 -0.001 0.000 1.395 699 F CB 0.169 39.161 39.000 -0.013 0.000 1.056 699 F HN 0.717 nan 8.300 nan 0.000 0.529 700 Q N -0.369 119.325 119.800 -0.175 0.000 2.152 700 Q HA -0.266 4.072 4.340 -0.002 0.000 0.206 700 Q C 1.468 177.219 176.000 -0.416 0.000 0.985 700 Q CA 2.156 57.742 55.803 -0.362 0.000 0.863 700 Q CB -1.394 27.096 28.738 -0.414 0.000 0.904 700 Q HN 0.501 nan 8.270 nan 0.000 0.422 701 H N -0.134 118.885 119.070 -0.084 0.000 2.544 701 H HA 0.168 4.723 4.556 -0.002 0.000 0.269 701 H C 2.230 177.520 175.328 -0.063 0.000 0.970 701 H CA 0.827 56.843 56.048 -0.053 0.000 1.219 701 H CB 0.491 30.257 29.762 0.008 0.000 1.421 701 H HN 0.115 nan 8.280 nan 0.000 0.555 702 V N 1.048 120.944 119.914 -0.031 0.000 2.379 702 V HA -0.158 3.961 4.120 -0.002 0.000 0.243 702 V C 2.585 178.564 176.094 -0.191 0.000 1.035 702 V CA 1.276 63.580 62.300 0.008 0.000 1.035 702 V CB -0.288 31.631 31.823 0.159 0.000 0.673 702 V HN 0.211 nan 8.190 nan 0.000 0.457 703 K N 0.861 120.875 120.400 -0.643 0.000 2.097 703 K HA -0.236 4.083 4.320 -0.002 0.000 0.214 703 K C -0.829 175.621 176.600 -0.250 0.000 1.052 703 K CA 2.392 58.312 56.287 -0.611 0.000 0.932 703 K CB -1.166 30.916 32.500 -0.697 0.000 0.716 703 K HN 0.398 nan 8.250 nan 0.000 0.455 704 P HA -0.006 nan 4.420 nan 0.000 0.259 704 P C -0.298 176.894 177.300 -0.180 0.000 1.307 704 P CA 0.569 63.586 63.100 -0.139 0.000 0.768 704 P CB -0.007 31.631 31.700 -0.102 0.000 1.199 705 C N -2.494 116.670 119.300 -0.226 0.000 3.931 705 C HA 0.183 4.642 4.460 -0.002 0.000 0.378 705 C C 2.131 176.843 174.990 -0.463 0.000 1.554 705 C CA -0.198 58.540 59.018 -0.467 0.000 1.926 705 C CB -0.412 26.910 27.740 -0.696 0.000 2.837 705 C HN 0.165 nan 8.230 nan 0.000 0.701 706 I N 2.262 122.733 120.570 -0.165 0.000 2.399 706 I HA -0.197 3.971 4.170 -0.002 0.000 0.254 706 I C 2.670 178.635 176.117 -0.254 0.000 1.146 706 I CA 1.944 63.175 61.300 -0.115 0.000 1.412 706 I CB -1.558 36.384 38.000 -0.096 0.000 1.076 706 I HN 0.341 nan 8.210 nan 0.000 0.432 707 A N 1.064 123.800 122.820 -0.141 0.000 1.908 707 A HA -0.234 4.084 4.320 -0.002 0.000 0.218 707 A C 1.970 179.513 177.584 -0.067 0.000 1.181 707 A CA 2.303 54.346 52.037 0.010 0.000 0.627 707 A CB -0.750 18.263 19.000 0.023 0.000 0.818 707 A HN 0.442 nan 8.150 nan 0.000 0.445 708 D N -1.443 118.788 120.400 -0.282 0.000 2.162 708 D HA 0.030 4.669 4.640 -0.002 0.000 0.205 708 D C 1.488 177.687 176.300 -0.169 0.000 0.964 708 D CA 0.762 54.542 54.000 -0.366 0.000 0.847 708 D CB -0.239 40.034 40.800 -0.879 0.000 0.988 708 D HN 0.376 nan 8.370 nan 0.000 0.480 709 F N 0.804 120.688 119.950 -0.109 0.000 2.075 709 F HA -0.108 4.417 4.527 -0.002 0.000 0.297 709 F C 2.294 178.130 175.800 0.060 0.000 1.113 709 F CA 0.722 58.737 58.000 0.025 0.000 1.218 709 F CB -0.738 38.272 39.000 0.017 0.000 0.984 709 F HN -0.094 nan 8.300 nan 0.000 0.472 710 M N -0.161 119.531 119.600 0.154 0.000 2.088 710 M HA -0.196 4.282 4.480 -0.002 0.000 0.256 710 M C -0.241 176.142 176.300 0.138 0.000 1.071 710 M CA 2.137 57.477 55.300 0.067 0.000 1.097 710 M CB -2.692 29.842 32.600 -0.110 0.000 1.315 710 M HN -0.017 nan 8.290 nan 0.000 0.406 711 P HA -0.162 nan 4.420 nan 0.000 0.215 711 P C 1.859 179.272 177.300 0.188 0.000 1.163 711 P CA 1.237 64.440 63.100 0.172 0.000 0.894 711 P CB -0.190 31.613 31.700 0.171 0.000 0.791 712 I N -1.440 119.286 120.570 0.259 0.000 2.208 712 I HA -0.193 3.976 4.170 -0.002 0.000 0.245 712 I C 2.383 178.662 176.117 0.271 0.000 1.097 712 I CA 1.484 62.966 61.300 0.303 0.000 1.363 712 I CB -1.479 36.776 38.000 0.425 0.000 1.051 712 I HN -0.019 nan 8.210 nan 0.000 0.413 713 L N 0.320 121.671 121.223 0.213 0.000 2.079 713 L HA -0.176 4.163 4.340 -0.002 0.000 0.210 713 L C 2.602 179.459 176.870 -0.022 0.000 1.081 713 L CA 1.559 56.385 54.840 -0.023 0.000 0.752 713 L CB -0.957 41.071 42.059 -0.052 0.000 0.896 713 L HN 0.295 nan 8.230 nan 0.000 0.433 714 G N -0.543 108.292 108.800 0.059 0.000 2.433 714 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.216 714 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.216 714 G C 1.577 176.520 174.900 0.070 0.000 1.186 714 G CA 1.222 46.360 45.100 0.062 0.000 0.779 714 G HN 0.444 nan 8.290 nan 0.000 0.543 715 T N -1.643 112.971 114.554 0.100 0.000 3.072 715 T HA 0.025 4.373 4.350 -0.002 0.000 0.266 715 T C 1.641 176.410 174.700 0.116 0.000 1.127 715 T CA 0.838 63.002 62.100 0.106 0.000 1.107 715 T CB 0.001 68.938 68.868 0.116 0.000 0.910 715 T HN 0.164 nan 8.240 nan 0.000 0.513 716 N N 0.582 119.348 118.700 0.110 0.000 2.279 716 N HA 0.175 4.914 4.740 -0.002 0.000 0.226 716 N C -0.208 175.319 175.510 0.028 0.000 1.126 716 N CA -0.137 52.985 53.050 0.120 0.000 0.846 716 N CB 0.209 38.838 38.487 0.236 0.000 1.050 716 N HN 0.249 nan 8.380 nan 0.000 0.502 717 L N 1.177 122.416 121.223 0.026 0.000 3.035 717 L HA 0.292 4.631 4.340 -0.002 0.000 0.232 717 L C -0.156 176.742 176.870 0.047 0.000 1.341 717 L CA -0.131 54.712 54.840 0.005 0.000 1.177 717 L CB -0.699 41.357 42.059 -0.004 0.000 1.555 717 L HN -0.032 nan 8.230 nan 0.000 0.473 718 N N 0.970 119.727 118.700 0.095 0.000 2.437 718 N HA 0.299 5.037 4.740 -0.002 0.000 0.259 718 N C -1.899 173.658 175.510 0.080 0.000 0.983 718 N CA -1.566 51.547 53.050 0.104 0.000 0.937 718 N CB 2.059 40.657 38.487 0.185 0.000 1.122 718 N HN 0.079 nan 8.380 nan 0.000 0.499 719 P HA -0.112 nan 4.420 nan 0.000 0.223 719 P C 0.786 178.056 177.300 -0.051 0.000 1.151 719 P CA 0.980 64.078 63.100 -0.003 0.000 0.787 719 P CB 0.314 32.007 31.700 -0.012 0.000 0.788 720 E N 0.173 120.283 120.200 -0.150 0.000 2.204 720 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 720 E C 0.080 176.449 176.600 -0.386 0.000 0.989 720 E CA 0.511 56.721 56.400 -0.318 0.000 0.824 720 E CB -0.770 28.640 29.700 -0.483 0.000 0.756 720 E HN 0.224 nan 8.360 nan 0.000 0.477 721 F N 1.920 121.885 119.950 0.024 0.000 2.384 721 F HA 0.235 4.760 4.527 -0.002 0.000 0.359 721 F C 1.273 177.089 175.800 0.026 0.000 1.143 721 F CA -1.182 56.836 58.000 0.030 0.000 1.216 721 F CB 0.611 39.639 39.000 0.047 0.000 1.512 721 F HN -0.101 nan 8.300 nan 0.000 0.573 722 I N 0.125 120.781 120.570 0.142 0.000 2.039 722 I HA -0.296 3.873 4.170 -0.002 0.000 0.233 722 I C 2.178 178.347 176.117 0.087 0.000 1.040 722 I CA 1.378 62.725 61.300 0.080 0.000 1.308 722 I CB -1.446 36.579 38.000 0.041 0.000 1.035 722 I HN 0.377 nan 8.210 nan 0.000 0.392 723 S N 0.948 116.699 115.700 0.084 0.000 2.387 723 S HA -0.129 4.340 4.470 -0.002 0.000 0.230 723 S C 2.235 176.895 174.600 0.100 0.000 1.035 723 S CA 1.433 59.672 58.200 0.066 0.000 1.014 723 S CB -0.650 62.580 63.200 0.050 0.000 0.836 723 S HN 0.311 nan 8.310 nan 0.000 0.466 724 V N 0.667 120.669 119.914 0.147 0.000 2.261 724 V HA -0.233 3.886 4.120 -0.002 0.000 0.246 724 V C 2.578 178.762 176.094 0.150 0.000 1.047 724 V CA 1.743 64.160 62.300 0.195 0.000 1.015 724 V CB -0.989 30.952 31.823 0.197 0.000 0.642 724 V HN 0.702 nan 8.190 nan 0.000 0.446 725 C N 0.360 119.733 119.300 0.123 0.000 2.429 725 C HA -0.156 4.303 4.460 -0.002 0.000 0.277 725 C C 2.809 177.810 174.990 0.017 0.000 1.262 725 C CA 1.435 60.482 59.018 0.049 0.000 1.733 725 C CB -1.511 26.268 27.740 0.066 0.000 2.010 725 C HN 0.687 nan 8.230 nan 0.000 0.483 726 N N 1.423 120.148 118.700 0.042 0.000 2.021 726 N HA -0.149 4.589 4.740 -0.002 0.000 0.198 726 N C 1.288 176.845 175.510 0.079 0.000 1.041 726 N CA 2.061 55.135 53.050 0.040 0.000 0.862 726 N CB -0.700 37.797 38.487 0.018 0.000 1.048 726 N HN 0.552 nan 8.380 nan 0.000 0.427 727 N N 0.695 119.452 118.700 0.095 0.000 2.364 727 N HA -0.054 4.685 4.740 -0.002 0.000 0.183 727 N C 1.474 177.063 175.510 0.131 0.000 1.022 727 N CA 0.970 54.134 53.050 0.189 0.000 0.883 727 N CB -0.414 38.204 38.487 0.219 0.000 0.965 727 N HN 0.337 nan 8.380 nan 0.000 0.438 728 A N 0.292 123.034 122.820 -0.130 0.000 1.854 728 A HA -0.058 4.261 4.320 -0.002 0.000 0.214 728 A C 2.360 179.821 177.584 -0.205 0.000 1.192 728 A CA 1.683 53.433 52.037 -0.479 0.000 0.611 728 A CB -1.107 17.487 19.000 -0.678 0.000 0.832 728 A HN 0.225 nan 8.150 nan 0.000 0.442 729 T N -1.312 113.191 114.554 -0.085 0.000 2.665 729 T HA -0.245 4.103 4.350 -0.002 0.000 0.268 729 T C 1.496 176.209 174.700 0.022 0.000 1.035 729 T CA 1.900 63.984 62.100 -0.027 0.000 1.151 729 T CB -0.385 68.488 68.868 0.007 0.000 0.862 729 T HN 0.721 nan 8.240 nan 0.000 0.438 730 W N 1.839 123.087 121.300 -0.087 0.000 2.363 730 W HA -0.018 4.640 4.660 -0.002 0.000 0.296 730 W C 2.485 178.965 176.519 -0.065 0.000 1.212 730 W CA 1.020 58.326 57.345 -0.065 0.000 1.260 730 W CB -0.621 28.812 29.460 -0.046 0.000 1.131 730 W HN 0.265 nan 8.180 nan 0.000 0.530 731 A N 0.638 123.381 122.820 -0.129 0.000 1.851 731 A HA -0.219 4.099 4.320 -0.002 0.000 0.216 731 A C 2.018 179.407 177.584 -0.326 0.000 1.195 731 A CA 2.313 54.165 52.037 -0.308 0.000 0.622 731 A CB -1.192 17.751 19.000 -0.094 0.000 0.831 731 A HN 0.348 nan 8.150 nan 0.000 0.444 732 I N -0.153 120.290 120.570 -0.211 0.000 2.074 732 I HA -0.356 3.813 4.170 -0.002 0.000 0.238 732 I C 2.755 178.749 176.117 -0.205 0.000 1.037 732 I CA 1.669 62.868 61.300 -0.169 0.000 1.301 732 I CB -0.953 36.978 38.000 -0.115 0.000 1.016 732 I HN 0.414 nan 8.210 nan 0.000 0.400 733 G N 0.053 108.726 108.800 -0.212 0.000 2.505 733 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.220 733 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.220 733 G C 1.555 176.278 174.900 -0.294 0.000 1.145 733 G CA 0.881 45.858 45.100 -0.206 0.000 0.761 733 G HN 0.361 nan 8.290 nan 0.000 0.571 734 E N 0.220 120.127 120.200 -0.488 0.000 2.150 734 E HA -0.044 4.305 4.350 -0.002 0.000 0.193 734 E C 2.630 178.972 176.600 -0.429 0.000 0.985 734 E CA 0.512 56.596 56.400 -0.526 0.000 0.814 734 E CB -0.104 29.090 29.700 -0.844 0.000 0.752 734 E HN 0.574 nan 8.360 nan 0.000 0.466 735 I N 1.205 121.546 120.570 -0.381 0.000 2.233 735 I HA -0.241 3.928 4.170 -0.002 0.000 0.243 735 I C 2.588 178.506 176.117 -0.331 0.000 1.093 735 I CA 1.153 62.222 61.300 -0.384 0.000 1.380 735 I CB -0.414 37.462 38.000 -0.207 0.000 1.067 735 I HN 0.030 nan 8.210 nan 0.000 0.413 736 S N 1.538 117.121 115.700 -0.194 0.000 2.374 736 S HA -0.193 4.276 4.470 -0.002 0.000 0.227 736 S C 2.034 176.580 174.600 -0.090 0.000 1.037 736 S CA 1.086 59.228 58.200 -0.097 0.000 1.024 736 S CB -0.721 62.452 63.200 -0.045 0.000 0.861 736 S HN 0.256 nan 8.310 nan 0.000 0.456 737 I N 2.077 122.568 120.570 -0.130 0.000 2.361 737 I HA -0.101 4.068 4.170 -0.002 0.000 0.251 737 I C 2.703 178.739 176.117 -0.135 0.000 1.133 737 I CA 1.229 62.473 61.300 -0.094 0.000 1.413 737 I CB -1.434 36.488 38.000 -0.130 0.000 1.073 737 I HN 0.392 nan 8.210 nan 0.000 0.424 738 Q N -0.802 118.808 119.800 -0.317 0.000 2.212 738 Q HA 0.028 4.366 4.340 -0.002 0.000 0.199 738 Q C 2.195 178.071 176.000 -0.206 0.000 0.950 738 Q CA 0.812 56.356 55.803 -0.431 0.000 0.863 738 Q CB -0.052 27.994 28.738 -1.154 0.000 0.944 738 Q HN 0.420 nan 8.270 nan 0.000 0.465 739 M N -0.336 119.171 119.600 -0.154 0.000 2.419 739 M HA -0.000 4.478 4.480 -0.002 0.000 0.264 739 M C 1.139 177.496 176.300 0.094 0.000 1.082 739 M CA 1.115 56.477 55.300 0.103 0.000 1.119 739 M CB -0.780 31.891 32.600 0.118 0.000 1.398 739 M HN 0.264 nan 8.290 nan 0.000 0.453 740 G N 1.517 110.347 108.800 0.051 0.000 2.574 740 G HA2 -0.354 3.604 3.960 -0.002 0.000 0.286 740 G HA3 -0.354 3.604 3.960 -0.002 0.000 0.286 740 G C 0.603 175.536 174.900 0.055 0.000 1.212 740 G CA 0.335 45.470 45.100 0.058 0.000 0.979 740 G HN 0.387 nan 8.290 nan 0.000 0.557 741 I N 2.075 122.669 120.570 0.041 0.000 2.614 741 I HA 0.064 4.232 4.170 -0.002 0.000 0.258 741 I C 2.433 178.581 176.117 0.053 0.000 1.189 741 I CA 2.264 63.582 61.300 0.031 0.000 1.462 741 I CB -0.352 37.655 38.000 0.011 0.000 1.092 741 I HN 0.599 nan 8.210 nan 0.000 0.442 742 E N -0.510 119.738 120.200 0.079 0.000 2.409 742 E HA -0.166 4.183 4.350 -0.002 0.000 0.198 742 E C 1.731 178.437 176.600 0.176 0.000 1.024 742 E CA 0.434 56.901 56.400 0.110 0.000 0.861 742 E CB -0.164 29.612 29.700 0.127 0.000 0.788 742 E HN 0.388 nan 8.360 nan 0.000 0.521 743 M N 0.925 120.627 119.600 0.170 0.000 2.659 743 M HA -0.066 4.412 4.480 -0.002 0.000 0.243 743 M C 1.875 178.301 176.300 0.210 0.000 1.111 743 M CA 0.790 56.239 55.300 0.247 0.000 1.070 743 M CB -0.165 32.520 32.600 0.143 0.000 1.525 743 M HN 0.111 nan 8.290 nan 0.000 0.517 744 Q N 1.187 121.043 119.800 0.093 0.000 2.045 744 Q HA -0.154 4.185 4.340 -0.002 0.000 0.206 744 Q C -1.039 174.934 176.000 -0.046 0.000 0.991 744 Q CA 1.913 57.727 55.803 0.020 0.000 0.851 744 Q CB -1.244 27.492 28.738 -0.004 0.000 0.911 744 Q HN 0.273 nan 8.270 nan 0.000 0.418 745 P HA -0.114 nan 4.420 nan 0.000 0.220 745 P C 0.374 177.478 177.300 -0.327 0.000 1.148 745 P CA 1.232 64.126 63.100 -0.342 0.000 0.803 745 P CB -0.333 31.001 31.700 -0.610 0.000 0.782 746 Y N -1.631 118.682 120.300 0.021 0.000 2.511 746 Y HA 0.029 4.577 4.550 -0.002 0.000 0.279 746 Y C 2.216 178.123 175.900 0.010 0.000 1.157 746 Y CA -0.269 57.845 58.100 0.024 0.000 1.300 746 Y CB -0.646 37.834 38.460 0.033 0.000 1.052 746 Y HN -0.143 nan 8.280 nan 0.000 0.529 747 I N 1.659 122.291 120.570 0.104 0.000 2.099 747 I HA -0.208 3.960 4.170 -0.002 0.000 0.239 747 I C -0.260 175.861 176.117 0.006 0.000 1.066 747 I CA 1.434 62.759 61.300 0.042 0.000 1.324 747 I CB -2.499 35.507 38.000 0.009 0.000 1.037 747 I HN 0.125 nan 8.210 nan 0.000 0.401 748 P HA -0.180 nan 4.420 nan 0.000 0.219 748 P C 1.984 179.331 177.300 0.078 0.000 1.146 748 P CA 1.733 64.840 63.100 0.011 0.000 0.808 748 P CB -0.248 31.486 31.700 0.057 0.000 0.779 749 M N -0.614 119.038 119.600 0.086 0.000 2.132 749 M HA -0.063 4.416 4.480 -0.002 0.000 0.263 749 M C 1.909 178.264 176.300 0.091 0.000 1.065 749 M CA 2.211 57.575 55.300 0.106 0.000 1.122 749 M CB -1.415 31.252 32.600 0.113 0.000 1.365 749 M HN -0.155 nan 8.290 nan 0.000 0.411 750 V N -1.873 118.078 119.914 0.061 0.000 2.825 750 V HA 0.004 4.123 4.120 -0.002 0.000 0.246 750 V C 2.347 178.440 176.094 -0.001 0.000 1.068 750 V CA 0.362 62.681 62.300 0.032 0.000 1.088 750 V CB -0.956 30.876 31.823 0.016 0.000 0.733 750 V HN 0.470 nan 8.190 nan 0.000 0.468 751 L N 0.926 122.120 121.223 -0.049 0.000 2.017 751 L HA -0.108 4.230 4.340 -0.002 0.000 0.208 751 L C 2.699 179.498 176.870 -0.118 0.000 1.073 751 L CA 2.191 56.952 54.840 -0.132 0.000 0.745 751 L CB -1.292 40.635 42.059 -0.221 0.000 0.894 751 L HN 0.382 nan 8.230 nan 0.000 0.432 752 H N -0.498 118.582 119.070 0.017 0.000 2.456 752 H HA -0.110 4.445 4.556 -0.002 0.000 0.296 752 H C 2.117 177.459 175.328 0.023 0.000 1.079 752 H CA 1.732 57.795 56.048 0.026 0.000 1.322 752 H CB 0.051 29.831 29.762 0.030 0.000 1.388 752 H HN 0.607 nan 8.280 nan 0.000 0.538 753 Q N -0.019 119.853 119.800 0.121 0.000 2.123 753 Q HA 0.020 4.358 4.340 -0.002 0.000 0.196 753 Q C 2.550 178.574 176.000 0.039 0.000 0.958 753 Q CA 0.454 56.301 55.803 0.074 0.000 0.841 753 Q CB 0.153 28.927 28.738 0.059 0.000 0.915 753 Q HN 0.332 nan 8.270 nan 0.000 0.455 754 L N 0.315 121.543 121.223 0.010 0.000 2.083 754 L HA -0.159 4.179 4.340 -0.002 0.000 0.209 754 L C 2.244 179.106 176.870 -0.014 0.000 1.083 754 L CA 0.705 55.534 54.840 -0.019 0.000 0.752 754 L CB -0.369 41.654 42.059 -0.059 0.000 0.899 754 L HN 0.095 nan 8.230 nan 0.000 0.433 755 V N -0.549 119.364 119.914 -0.002 0.000 2.548 755 V HA -0.241 3.878 4.120 -0.002 0.000 0.249 755 V C 2.348 178.491 176.094 0.082 0.000 1.055 755 V CA 1.644 63.974 62.300 0.049 0.000 1.065 755 V CB -0.389 31.490 31.823 0.093 0.000 0.681 755 V HN 0.448 nan 8.190 nan 0.000 0.462 756 E N -0.000 120.243 120.200 0.073 0.000 2.152 756 E HA -0.124 4.224 4.350 -0.002 0.000 0.192 756 E C 2.136 178.764 176.600 0.047 0.000 0.983 756 E CA 0.949 57.388 56.400 0.065 0.000 0.818 756 E CB -0.047 29.691 29.700 0.063 0.000 0.758 756 E HN 0.603 nan 8.360 nan 0.000 0.467 757 I N 0.516 121.108 120.570 0.035 0.000 2.439 757 I HA -0.181 3.988 4.170 -0.002 0.000 0.251 757 I C 2.297 178.429 176.117 0.024 0.000 1.139 757 I CA 0.605 61.918 61.300 0.023 0.000 1.438 757 I CB 0.051 38.059 38.000 0.013 0.000 1.085 757 I HN 0.184 nan 8.210 nan 0.000 0.427 758 I N 0.649 121.241 120.570 0.037 0.000 2.617 758 I HA -0.177 3.991 4.170 -0.002 0.000 0.256 758 I C 0.983 177.140 176.117 0.066 0.000 1.167 758 I CA 1.206 62.537 61.300 0.051 0.000 1.469 758 I CB 0.046 38.093 38.000 0.078 0.000 1.098 758 I HN 0.196 nan 8.210 nan 0.000 0.436 759 N N 0.933 119.677 118.700 0.074 0.000 2.322 759 N HA 0.098 4.836 4.740 -0.002 0.000 0.216 759 N C -0.035 175.503 175.510 0.045 0.000 1.144 759 N CA -0.001 53.091 53.050 0.070 0.000 0.830 759 N CB 0.025 38.565 38.487 0.090 0.000 1.034 759 N HN 0.158 nan 8.380 nan 0.000 0.484 760 R N 1.177 121.696 120.500 0.032 0.000 2.368 760 R HA 0.358 4.696 4.340 -0.002 0.000 0.302 760 R C -2.438 173.867 176.300 0.009 0.000 1.002 760 R CA -1.546 54.565 56.100 0.019 0.000 0.929 760 R CB 0.724 31.032 30.300 0.013 0.000 1.073 760 R HN -0.024 nan 8.270 nan 0.000 0.464 761 P HA 0.169 nan 4.420 nan 0.000 0.276 761 P C -1.214 176.082 177.300 -0.007 0.000 1.252 761 P CA -0.451 62.649 63.100 -0.000 0.000 0.802 761 P CB 0.387 32.088 31.700 0.002 0.000 1.035 762 N N -1.158 117.535 118.700 -0.011 0.000 2.650 762 N HA -0.111 4.628 4.740 -0.002 0.000 0.272 762 N C -1.078 174.421 175.510 -0.017 0.000 1.058 762 N CA 0.736 53.777 53.050 -0.015 0.000 0.765 762 N CB -1.016 37.462 38.487 -0.015 0.000 0.902 762 N HN 0.382 nan 8.380 nan 0.000 0.551 763 T N 1.099 115.642 114.554 -0.019 0.000 2.841 763 T HA 0.384 4.732 4.350 -0.002 0.000 0.285 763 T C -2.406 172.279 174.700 -0.024 0.000 0.991 763 T CA -1.065 61.023 62.100 -0.019 0.000 0.966 763 T CB 1.836 70.695 68.868 -0.015 0.000 0.962 763 T HN -0.077 nan 8.240 nan 0.000 0.438 764 P HA 0.005 nan 4.420 nan 0.000 0.260 764 P C 1.004 178.283 177.300 -0.036 0.000 1.172 764 P CA -0.038 63.046 63.100 -0.028 0.000 0.760 764 P CB 0.604 32.290 31.700 -0.023 0.000 0.773 765 K N 2.177 122.551 120.400 -0.043 0.000 2.113 765 K HA -0.202 4.116 4.320 -0.002 0.000 0.208 765 K C 1.172 177.736 176.600 -0.061 0.000 1.047 765 K CA 2.167 58.421 56.287 -0.054 0.000 0.928 765 K CB -0.993 31.471 32.500 -0.060 0.000 0.716 765 K HN 0.443 nan 8.250 nan 0.000 0.446 766 T N 0.132 114.652 114.554 -0.056 0.000 2.867 766 T HA -0.096 4.253 4.350 -0.002 0.000 0.268 766 T C 1.847 176.518 174.700 -0.048 0.000 1.057 766 T CA 0.900 62.964 62.100 -0.060 0.000 1.136 766 T CB -0.250 68.579 68.868 -0.064 0.000 0.874 766 T HN 0.224 nan 8.240 nan 0.000 0.466 767 L N 0.253 121.454 121.223 -0.036 0.000 2.072 767 L HA 0.263 4.602 4.340 -0.002 0.000 0.205 767 L C 2.190 179.044 176.870 -0.027 0.000 1.079 767 L CA 1.276 56.103 54.840 -0.021 0.000 0.752 767 L CB -1.023 41.030 42.059 -0.011 0.000 0.906 767 L HN 0.154 nan 8.230 nan 0.000 0.436 768 L N -0.127 121.074 121.223 -0.038 0.000 2.046 768 L HA -0.183 4.156 4.340 -0.002 0.000 0.208 768 L C 2.491 179.315 176.870 -0.076 0.000 1.077 768 L CA 1.771 56.583 54.840 -0.047 0.000 0.747 768 L CB -0.656 41.374 42.059 -0.049 0.000 0.896 768 L HN 0.386 nan 8.230 nan 0.000 0.432 769 E N -0.926 119.220 120.200 -0.090 0.000 2.051 769 E HA -0.223 4.125 4.350 -0.002 0.000 0.192 769 E C 1.950 178.489 176.600 -0.102 0.000 0.991 769 E CA 1.183 57.508 56.400 -0.125 0.000 0.799 769 E CB -0.170 29.462 29.700 -0.113 0.000 0.748 769 E HN 0.478 nan 8.360 nan 0.000 0.449 770 N N 0.087 118.760 118.700 -0.046 0.000 2.166 770 N HA -0.101 4.637 4.740 -0.002 0.000 0.186 770 N C 1.805 177.316 175.510 0.001 0.000 1.019 770 N CA 1.401 54.458 53.050 0.010 0.000 0.856 770 N CB -0.150 38.369 38.487 0.054 0.000 0.993 770 N HN 0.149 nan 8.380 nan 0.000 0.426 771 T N 0.918 115.459 114.554 -0.022 0.000 2.737 771 T HA -0.044 4.305 4.350 -0.002 0.000 0.265 771 T C 2.036 176.719 174.700 -0.029 0.000 1.038 771 T CA 1.301 63.387 62.100 -0.023 0.000 1.144 771 T CB -0.329 68.527 68.868 -0.020 0.000 0.866 771 T HN 0.293 nan 8.240 nan 0.000 0.434 772 A N 1.213 123.984 122.820 -0.081 0.000 1.908 772 A HA -0.032 4.286 4.320 -0.002 0.000 0.218 772 A C 2.311 179.825 177.584 -0.117 0.000 1.181 772 A CA 1.257 53.186 52.037 -0.179 0.000 0.627 772 A CB -0.839 17.840 19.000 -0.535 0.000 0.818 772 A HN 0.528 nan 8.150 nan 0.000 0.445 773 I N -0.785 119.718 120.570 -0.111 0.000 2.252 773 I HA -0.208 3.961 4.170 -0.002 0.000 0.245 773 I C 2.606 178.751 176.117 0.047 0.000 1.102 773 I CA 1.714 63.007 61.300 -0.012 0.000 1.385 773 I CB -0.600 37.401 38.000 0.003 0.000 1.064 773 I HN 0.244 nan 8.210 nan 0.000 0.414 774 T N 1.133 115.697 114.554 0.017 0.000 2.737 774 T HA -0.095 4.254 4.350 -0.002 0.000 0.265 774 T C 1.958 176.652 174.700 -0.009 0.000 1.038 774 T CA 1.312 63.406 62.100 -0.011 0.000 1.144 774 T CB -0.260 68.590 68.868 -0.030 0.000 0.866 774 T HN 0.196 nan 8.240 nan 0.000 0.434 775 I N 1.203 121.761 120.570 -0.020 0.000 2.151 775 I HA -0.196 3.973 4.170 -0.002 0.000 0.243 775 I C 2.852 178.945 176.117 -0.040 0.000 1.080 775 I CA 1.504 62.735 61.300 -0.115 0.000 1.339 775 I CB -0.701 37.124 38.000 -0.291 0.000 1.039 775 I HN 0.335 nan 8.210 nan 0.000 0.409 776 G N 0.243 109.144 108.800 0.169 0.000 2.422 776 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.218 776 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.218 776 G C 1.795 176.786 174.900 0.151 0.000 1.146 776 G CA 0.441 45.677 45.100 0.226 0.000 0.769 776 G HN 0.315 nan 8.290 nan 0.000 0.547 777 R N -0.417 120.142 120.500 0.098 0.000 2.189 777 R HA 0.156 4.495 4.340 -0.002 0.000 0.218 777 R C 2.446 178.791 176.300 0.075 0.000 1.074 777 R CA 0.439 56.573 56.100 0.056 0.000 0.991 777 R CB -0.207 30.086 30.300 -0.012 0.000 0.883 777 R HN 0.367 nan 8.270 nan 0.000 0.457 778 L N -1.372 119.877 121.223 0.044 0.000 2.068 778 L HA 0.059 4.398 4.340 -0.002 0.000 0.204 778 L C 2.110 179.017 176.870 0.063 0.000 1.076 778 L CA 1.025 55.886 54.840 0.035 0.000 0.753 778 L CB -0.449 41.604 42.059 -0.010 0.000 0.910 778 L HN 0.214 nan 8.230 nan 0.000 0.439 779 G N -1.909 106.930 108.800 0.064 0.000 3.234 779 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.221 779 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.221 779 G C 0.941 175.917 174.900 0.126 0.000 1.229 779 G CA -0.029 45.115 45.100 0.074 0.000 0.909 779 G HN 0.358 nan 8.290 nan 0.000 0.510 780 Y N 0.025 120.336 120.300 0.017 0.000 2.607 780 Y HA 0.140 4.689 4.550 -0.002 0.000 0.276 780 Y C 2.242 178.149 175.900 0.012 0.000 1.117 780 Y CA 0.929 59.042 58.100 0.021 0.000 1.273 780 Y CB 0.515 38.996 38.460 0.035 0.000 1.282 780 Y HN 0.081 nan 8.280 nan 0.000 0.514 781 V N -3.169 116.808 119.914 0.106 0.000 2.825 781 V HA 0.146 4.265 4.120 -0.002 0.000 0.246 781 V C 0.593 176.682 176.094 -0.009 0.000 1.068 781 V CA 0.616 62.930 62.300 0.022 0.000 1.088 781 V CB -0.336 31.546 31.823 0.098 0.000 0.733 781 V HN 0.320 nan 8.190 nan 0.000 0.468 782 C N 2.554 121.862 119.300 0.014 0.000 3.401 782 C HA 0.508 4.966 4.460 -0.002 0.000 0.204 782 C C -0.956 174.036 174.990 0.003 0.000 1.522 782 C CA -0.497 58.524 59.018 0.005 0.000 1.409 782 C CB 0.357 28.109 27.740 0.019 0.000 1.967 782 C HN 0.440 nan 8.230 nan 0.000 0.496 783 P HA -0.169 nan 4.420 nan 0.000 0.220 783 P C 1.478 178.781 177.300 0.005 0.000 1.148 783 P CA 1.483 64.584 63.100 0.001 0.000 0.803 783 P CB 0.244 31.932 31.700 -0.019 0.000 0.782 784 Q N 0.080 119.878 119.800 -0.004 0.000 2.291 784 Q HA -0.160 4.179 4.340 -0.002 0.000 0.206 784 Q C 1.724 177.727 176.000 0.005 0.000 0.976 784 Q CA 1.436 57.239 55.803 -0.001 0.000 0.875 784 Q CB -0.279 28.455 28.738 -0.006 0.000 0.927 784 Q HN 0.400 nan 8.270 nan 0.000 0.450 785 E N -0.995 119.208 120.200 0.004 0.000 2.216 785 E HA -0.020 4.328 4.350 -0.002 0.000 0.192 785 E C 1.916 178.514 176.600 -0.002 0.000 0.973 785 E CA 0.350 56.749 56.400 -0.002 0.000 0.851 785 E CB 0.463 30.157 29.700 -0.010 0.000 0.804 785 E HN 0.059 nan 8.360 nan 0.000 0.477 786 V N 0.149 120.071 119.914 0.014 0.000 2.949 786 V HA 0.132 4.251 4.120 -0.002 0.000 0.245 786 V C 2.089 178.258 176.094 0.125 0.000 1.086 786 V CA 1.065 63.387 62.300 0.036 0.000 1.097 786 V CB -0.262 31.565 31.823 0.006 0.000 0.762 786 V HN 0.247 nan 8.190 nan 0.000 0.470 787 A N 1.232 124.102 122.820 0.083 0.000 1.933 787 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 787 A C 0.069 177.682 177.584 0.048 0.000 1.175 787 A CA 1.712 53.790 52.037 0.068 0.000 0.628 787 A CB -1.745 17.271 19.000 0.026 0.000 0.814 787 A HN 0.541 nan 8.150 nan 0.000 0.444 788 P HA 0.024 nan 4.420 nan 0.000 0.251 788 P C 0.755 178.089 177.300 0.055 0.000 1.251 788 P CA 0.794 63.915 63.100 0.036 0.000 0.763 788 P CB 0.058 31.780 31.700 0.036 0.000 1.067 789 M N -2.227 117.434 119.600 0.101 0.000 2.449 789 M HA 0.150 4.628 4.480 -0.002 0.000 0.262 789 M C 1.298 177.584 176.300 -0.024 0.000 1.152 789 M CA 0.363 55.757 55.300 0.157 0.000 1.104 789 M CB -0.536 32.267 32.600 0.339 0.000 1.416 789 M HN -0.246 nan 8.290 nan 0.000 0.519 790 L N 0.724 121.783 121.223 -0.273 0.000 2.119 790 L HA -0.382 3.957 4.340 -0.002 0.000 0.226 790 L C 2.080 178.598 176.870 -0.587 0.000 1.093 790 L CA 2.155 56.524 54.840 -0.785 0.000 0.806 790 L CB -1.157 40.635 42.059 -0.446 0.000 0.902 790 L HN 0.376 nan 8.230 nan 0.000 0.444 791 Q N -1.188 118.465 119.800 -0.245 0.000 2.014 791 Q HA -0.262 4.077 4.340 -0.002 0.000 0.207 791 Q C 2.252 178.206 176.000 -0.075 0.000 0.993 791 Q CA 2.122 57.855 55.803 -0.116 0.000 0.850 791 Q CB -0.428 28.288 28.738 -0.037 0.000 0.916 791 Q HN 0.592 nan 8.270 nan 0.000 0.417 792 Q N -0.827 118.960 119.800 -0.021 0.000 2.224 792 Q HA -0.082 4.257 4.340 -0.002 0.000 0.203 792 Q C 1.380 177.465 176.000 0.143 0.000 0.970 792 Q CA 1.194 57.042 55.803 0.076 0.000 0.865 792 Q CB 0.053 28.864 28.738 0.121 0.000 0.922 792 Q HN 0.595 nan 8.270 nan 0.000 0.445 793 F N -2.775 117.208 119.950 0.056 0.000 2.706 793 F HA 0.271 4.796 4.527 -0.002 0.000 0.308 793 F C 1.374 177.232 175.800 0.097 0.000 1.095 793 F CA -0.501 57.542 58.000 0.073 0.000 1.244 793 F CB -0.115 38.922 39.000 0.062 0.000 1.063 793 F HN -0.143 nan 8.300 nan 0.000 0.582 794 I N 1.709 122.146 120.570 -0.222 0.000 2.394 794 I HA -0.113 4.056 4.170 -0.002 0.000 0.251 794 I C 2.335 178.567 176.117 0.191 0.000 1.136 794 I CA 1.269 62.513 61.300 -0.093 0.000 1.425 794 I CB -0.441 37.443 38.000 -0.195 0.000 1.079 794 I HN 0.082 nan 8.210 nan 0.000 0.425 795 R N 1.133 121.749 120.500 0.192 0.000 2.075 795 R HA -0.072 4.266 4.340 -0.002 0.000 0.230 795 R C -0.387 175.881 176.300 -0.053 0.000 1.140 795 R CA 1.903 58.075 56.100 0.119 0.000 0.928 795 R CB -2.208 28.193 30.300 0.168 0.000 0.834 795 R HN 0.375 nan 8.270 nan 0.000 0.429 796 P HA -0.166 nan 4.420 nan 0.000 0.225 796 P C 0.814 178.170 177.300 0.094 0.000 1.156 796 P CA 0.837 63.951 63.100 0.023 0.000 0.787 796 P CB -0.134 31.601 31.700 0.059 0.000 0.802 797 W N 0.935 122.256 121.300 0.035 0.000 2.335 797 W HA -0.217 4.441 4.660 -0.002 0.000 0.311 797 W C 2.194 178.698 176.519 -0.025 0.000 1.213 797 W CA 1.692 59.064 57.345 0.045 0.000 1.274 797 W CB -0.769 28.803 29.460 0.188 0.000 1.148 797 W HN -0.061 nan 8.180 nan 0.000 0.498 798 C N -1.207 118.329 119.300 0.392 0.000 2.440 798 C HA -0.142 4.317 4.460 -0.002 0.000 0.278 798 C C 2.663 177.647 174.990 -0.011 0.000 1.295 798 C CA 1.622 60.782 59.018 0.237 0.000 1.738 798 C CB -1.536 26.370 27.740 0.277 0.000 1.987 798 C HN 0.411 nan 8.230 nan 0.000 0.492 799 T N -0.261 114.224 114.554 -0.114 0.000 2.962 799 T HA -0.128 4.221 4.350 -0.002 0.000 0.270 799 T C 2.034 176.652 174.700 -0.137 0.000 1.088 799 T CA 1.750 63.744 62.100 -0.177 0.000 1.127 799 T CB -0.203 68.513 68.868 -0.254 0.000 0.883 799 T HN 0.604 nan 8.240 nan 0.000 0.493 800 S N -0.140 115.472 115.700 -0.147 0.000 2.371 800 S HA 0.107 4.576 4.470 -0.002 0.000 0.219 800 S C 1.629 176.100 174.600 -0.214 0.000 1.040 800 S CA 0.301 58.395 58.200 -0.176 0.000 0.958 800 S CB -0.198 62.883 63.200 -0.199 0.000 0.860 800 S HN 0.295 nan 8.310 nan 0.000 0.487 801 L N 2.631 123.671 121.223 -0.306 0.000 2.552 801 L HA 0.248 4.587 4.340 -0.002 0.000 0.227 801 L C 2.203 179.000 176.870 -0.122 0.000 1.146 801 L CA 0.855 55.525 54.840 -0.284 0.000 0.858 801 L CB -0.649 41.069 42.059 -0.569 0.000 0.969 801 L HN 0.462 nan 8.230 nan 0.000 0.451 802 R N -1.431 119.013 120.500 -0.094 0.000 2.235 802 R HA -0.017 4.322 4.340 -0.002 0.000 0.213 802 R C 1.252 177.467 176.300 -0.143 0.000 1.059 802 R CA 1.194 57.237 56.100 -0.094 0.000 0.997 802 R CB -0.402 29.861 30.300 -0.062 0.000 0.884 802 R HN 0.267 nan 8.270 nan 0.000 0.462 803 N N 1.411 120.026 118.700 -0.141 0.000 2.356 803 N HA 0.087 4.825 4.740 -0.002 0.000 0.178 803 N C 0.797 176.217 175.510 -0.150 0.000 1.075 803 N CA 0.327 53.298 53.050 -0.132 0.000 0.889 803 N CB 0.319 38.740 38.487 -0.110 0.000 0.999 803 N HN 0.400 nan 8.380 nan 0.000 0.464 804 I N -0.025 120.440 120.570 -0.175 0.000 2.581 804 I HA 0.285 4.454 4.170 -0.002 0.000 0.288 804 I C 0.053 176.025 176.117 -0.242 0.000 1.047 804 I CA -0.860 60.331 61.300 -0.181 0.000 1.374 804 I CB 0.816 38.717 38.000 -0.164 0.000 1.423 804 I HN -0.255 nan 8.210 nan 0.000 0.549 805 R N 3.211 123.590 120.500 -0.202 0.000 2.774 805 R HA 0.135 4.474 4.340 -0.002 0.000 0.269 805 R C -0.324 175.791 176.300 -0.309 0.000 1.068 805 R CA -0.435 55.535 56.100 -0.218 0.000 1.180 805 R CB 0.024 30.245 30.300 -0.133 0.000 1.077 805 R HN 0.571 nan 8.270 nan 0.000 0.513 806 D N 1.677 121.887 120.400 -0.317 0.000 2.885 806 D HA 0.009 4.648 4.640 -0.002 0.000 0.234 806 D C -0.477 175.768 176.300 -0.092 0.000 1.129 806 D CA 0.192 53.953 54.000 -0.398 0.000 0.991 806 D CB -0.740 39.951 40.800 -0.181 0.000 1.137 806 D HN 0.430 nan 8.370 nan 0.000 0.459 807 N N -1.031 117.618 118.700 -0.085 0.000 2.502 807 N HA 0.106 4.844 4.740 -0.002 0.000 0.280 807 N C 1.034 176.599 175.510 0.091 0.000 1.223 807 N CA -0.716 52.343 53.050 0.016 0.000 0.966 807 N CB 0.897 39.377 38.487 -0.013 0.000 1.203 807 N HN -0.283 nan 8.380 nan 0.000 0.565 808 E N -0.399 119.852 120.200 0.085 0.000 2.171 808 E HA -0.256 4.092 4.350 -0.002 0.000 0.197 808 E C 1.000 177.664 176.600 0.108 0.000 0.997 808 E CA 1.574 58.032 56.400 0.097 0.000 0.810 808 E CB -0.122 29.615 29.700 0.062 0.000 0.738 808 E HN 0.596 nan 8.360 nan 0.000 0.467 809 E N 0.329 120.584 120.200 0.093 0.000 2.051 809 E HA -0.204 4.144 4.350 -0.002 0.000 0.192 809 E C 2.071 178.757 176.600 0.144 0.000 0.991 809 E CA 1.086 57.544 56.400 0.095 0.000 0.799 809 E CB -0.294 29.448 29.700 0.071 0.000 0.748 809 E HN 0.296 nan 8.360 nan 0.000 0.449 810 K N 1.028 121.522 120.400 0.158 0.000 2.002 810 K HA -0.182 4.137 4.320 -0.002 0.000 0.209 810 K C 2.100 179.103 176.600 0.672 0.000 1.048 810 K CA 1.648 58.114 56.287 0.298 0.000 0.930 810 K CB -0.126 32.339 32.500 -0.060 0.000 0.714 810 K HN 0.067 nan 8.250 nan 0.000 0.438 811 D N -0.190 120.588 120.400 0.630 0.000 2.103 811 D HA -0.202 4.437 4.640 -0.002 0.000 0.190 811 D C 1.872 178.344 176.300 0.287 0.000 0.997 811 D CA 1.673 55.956 54.000 0.472 0.000 0.833 811 D CB -0.114 40.844 40.800 0.263 0.000 0.961 811 D HN 0.153 nan 8.370 nan 0.000 0.447 812 S N -0.375 115.419 115.700 0.156 0.000 2.387 812 S HA -0.190 4.279 4.470 -0.002 0.000 0.230 812 S C 2.084 176.738 174.600 0.091 0.000 1.035 812 S CA 1.872 60.073 58.200 0.001 0.000 1.014 812 S CB -0.365 62.815 63.200 -0.032 0.000 0.836 812 S HN 0.456 nan 8.310 nan 0.000 0.466 813 A N -0.261 122.715 122.820 0.260 0.000 1.897 813 A HA 0.150 4.469 4.320 -0.002 0.000 0.215 813 A C 1.850 179.760 177.584 0.543 0.000 1.181 813 A CA 1.099 53.351 52.037 0.359 0.000 0.620 813 A CB -0.792 18.354 19.000 0.244 0.000 0.821 813 A HN 0.587 nan 8.150 nan 0.000 0.443 814 F N -0.303 119.975 119.950 0.546 0.000 2.234 814 F HA 0.029 4.554 4.527 -0.002 0.000 0.296 814 F C 2.475 178.486 175.800 0.351 0.000 1.089 814 F CA 1.075 59.442 58.000 0.613 0.000 1.343 814 F CB -0.237 39.198 39.000 0.724 0.000 1.040 814 F HN 0.060 nan 8.300 nan 0.000 0.498 815 R N -0.005 120.711 120.500 0.360 0.000 2.133 815 R HA -0.190 4.149 4.340 -0.002 0.000 0.247 815 R C 2.413 178.916 176.300 0.338 0.000 1.151 815 R CA 1.421 57.655 56.100 0.224 0.000 0.971 815 R CB -1.140 29.191 30.300 0.051 0.000 0.866 815 R HN 0.426 nan 8.270 nan 0.000 0.447 816 G N 0.354 109.339 108.800 0.308 0.000 2.408 816 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.215 816 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.215 816 G C 1.332 176.327 174.900 0.158 0.000 1.156 816 G CA 0.058 45.345 45.100 0.311 0.000 0.793 816 G HN 0.179 nan 8.290 nan 0.000 0.535 817 I N 0.588 121.204 120.570 0.076 0.000 2.252 817 I HA -0.109 4.060 4.170 -0.002 0.000 0.245 817 I C 2.712 178.833 176.117 0.007 0.000 1.102 817 I CA 0.813 62.033 61.300 -0.133 0.000 1.385 817 I CB -0.209 37.466 38.000 -0.542 0.000 1.064 817 I HN 0.202 nan 8.210 nan 0.000 0.414 818 C N -0.159 119.235 119.300 0.157 0.000 2.413 818 C HA -0.197 4.262 4.460 -0.002 0.000 0.276 818 C C 2.782 177.803 174.990 0.050 0.000 1.236 818 C CA 1.744 60.840 59.018 0.129 0.000 1.735 818 C CB -1.484 26.358 27.740 0.169 0.000 2.031 818 C HN 0.530 nan 8.230 nan 0.000 0.474 819 T N 0.924 115.525 114.554 0.079 0.000 2.684 819 T HA -0.216 4.132 4.350 -0.002 0.000 0.267 819 T C 1.777 176.483 174.700 0.010 0.000 1.036 819 T CA 1.670 63.790 62.100 0.033 0.000 1.148 819 T CB -0.299 68.585 68.868 0.026 0.000 0.863 819 T HN 0.496 nan 8.240 nan 0.000 0.436 820 M N 0.131 119.740 119.600 0.014 0.000 2.117 820 M HA -0.002 4.477 4.480 -0.002 0.000 0.262 820 M C 2.204 178.485 176.300 -0.032 0.000 1.065 820 M CA 1.569 56.867 55.300 -0.004 0.000 1.114 820 M CB -0.533 32.073 32.600 0.009 0.000 1.361 820 M HN 0.235 nan 8.290 nan 0.000 0.408 821 I N -0.251 120.280 120.570 -0.065 0.000 2.252 821 I HA -0.262 3.906 4.170 -0.002 0.000 0.245 821 I C 2.681 178.811 176.117 0.022 0.000 1.102 821 I CA 1.459 62.713 61.300 -0.077 0.000 1.385 821 I CB -0.571 37.287 38.000 -0.237 0.000 1.064 821 I HN 0.364 nan 8.210 nan 0.000 0.414 822 S N 0.483 116.194 115.700 0.018 0.000 2.400 822 S HA -0.125 4.344 4.470 -0.002 0.000 0.232 822 S C 1.899 176.527 174.600 0.047 0.000 1.025 822 S CA 1.377 59.612 58.200 0.058 0.000 0.993 822 S CB -0.705 62.513 63.200 0.029 0.000 0.808 822 S HN 0.265 nan 8.310 nan 0.000 0.478 823 V N 1.731 121.657 119.914 0.020 0.000 2.500 823 V HA 0.185 4.304 4.120 -0.002 0.000 0.243 823 V C 1.254 177.354 176.094 0.009 0.000 1.039 823 V CA 1.275 63.580 62.300 0.009 0.000 1.053 823 V CB -0.785 31.036 31.823 -0.002 0.000 0.695 823 V HN 0.679 nan 8.190 nan 0.000 0.463 824 N N 0.966 119.671 118.700 0.009 0.000 2.851 824 N HA 0.239 4.978 4.740 -0.002 0.000 0.248 824 N C -2.577 172.947 175.510 0.023 0.000 1.221 824 N CA -1.377 51.675 53.050 0.003 0.000 0.847 824 N CB 1.572 40.050 38.487 -0.015 0.000 1.150 824 N HN 0.156 nan 8.380 nan 0.000 0.507 825 P HA 0.203 nan 4.420 nan 0.000 0.253 825 P C -0.138 177.209 177.300 0.079 0.000 1.508 825 P CA 0.143 63.343 63.100 0.166 0.000 0.883 825 P CB 0.609 32.392 31.700 0.138 0.000 1.519 826 S N -0.855 114.860 115.700 0.025 0.000 2.641 826 S HA 0.114 4.583 4.470 -0.002 0.000 0.239 826 S C 2.138 176.741 174.600 0.005 0.000 1.081 826 S CA 0.598 58.798 58.200 0.000 0.000 0.904 826 S CB -0.832 62.357 63.200 -0.018 0.000 0.803 826 S HN 0.280 nan 8.310 nan 0.000 0.510 827 G N 1.693 110.479 108.800 -0.022 0.000 2.462 827 G HA2 -0.135 3.823 3.960 -0.002 0.000 0.220 827 G HA3 -0.135 3.823 3.960 -0.002 0.000 0.220 827 G C 1.257 176.127 174.900 -0.050 0.000 1.121 827 G CA 1.147 46.212 45.100 -0.057 0.000 0.758 827 G HN 0.405 nan 8.290 nan 0.000 0.559 828 V N 1.003 120.905 119.914 -0.019 0.000 2.649 828 V HA 0.040 4.158 4.120 -0.002 0.000 0.248 828 V C 2.608 178.816 176.094 0.190 0.000 1.054 828 V CA 0.329 62.640 62.300 0.019 0.000 1.073 828 V CB -0.133 31.636 31.823 -0.089 0.000 0.699 828 V HN 0.217 nan 8.190 nan 0.000 0.463 829 I N 0.378 121.063 120.570 0.192 0.000 2.423 829 I HA -0.196 3.973 4.170 -0.002 0.000 0.254 829 I C 2.588 178.787 176.117 0.136 0.000 1.151 829 I CA 1.468 62.872 61.300 0.174 0.000 1.421 829 I CB -0.845 37.188 38.000 0.056 0.000 1.079 829 I HN 0.382 nan 8.210 nan 0.000 0.431 830 Q N 0.447 120.305 119.800 0.097 0.000 2.079 830 Q HA -0.120 4.219 4.340 -0.002 0.000 0.200 830 Q C 0.364 176.418 176.000 0.089 0.000 0.974 830 Q CA 1.226 57.075 55.803 0.078 0.000 0.840 830 Q CB -0.087 28.680 28.738 0.048 0.000 0.898 830 Q HN 0.540 nan 8.270 nan 0.000 0.430 831 D N -0.551 119.909 120.400 0.099 0.000 3.010 831 D HA 0.087 4.725 4.640 -0.002 0.000 0.347 831 D C 0.283 176.658 176.300 0.126 0.000 1.340 831 D CA -0.236 53.781 54.000 0.028 0.000 0.858 831 D CB -0.304 40.550 40.800 0.089 0.000 1.111 831 D HN 0.047 nan 8.370 nan 0.000 0.482 832 F N 1.116 121.150 119.950 0.139 0.000 2.325 832 F HA -0.040 4.485 4.527 -0.002 0.000 0.299 832 F C 1.938 178.009 175.800 0.451 0.000 1.090 832 F CA 0.550 58.721 58.000 0.285 0.000 1.392 832 F CB 0.262 39.394 39.000 0.220 0.000 1.053 832 F HN 0.090 nan 8.300 nan 0.000 0.521 833 I N -0.080 120.789 120.570 0.498 0.000 2.423 833 I HA -0.348 3.821 4.170 -0.002 0.000 0.254 833 I C 1.810 177.980 176.117 0.088 0.000 1.151 833 I CA 1.829 63.242 61.300 0.188 0.000 1.421 833 I CB -0.634 37.240 38.000 -0.210 0.000 1.079 833 I HN 0.165 nan 8.210 nan 0.000 0.431 834 F N -0.707 119.324 119.950 0.134 0.000 2.234 834 F HA -0.220 4.306 4.527 -0.002 0.000 0.296 834 F C 2.316 178.144 175.800 0.047 0.000 1.089 834 F CA 0.477 58.519 58.000 0.069 0.000 1.343 834 F CB -0.560 38.496 39.000 0.093 0.000 1.040 834 F HN -0.008 nan 8.300 nan 0.000 0.498 835 F N 0.600 120.553 119.950 0.005 0.000 2.216 835 F HA -0.216 4.309 4.527 -0.002 0.000 0.300 835 F C 2.193 177.876 175.800 -0.195 0.000 1.085 835 F CA 0.827 58.698 58.000 -0.215 0.000 1.326 835 F CB -0.594 37.980 39.000 -0.710 0.000 1.027 835 F HN -0.034 nan 8.300 nan 0.000 0.497 836 C N -0.049 119.207 119.300 -0.072 0.000 2.462 836 C HA -0.165 4.294 4.460 -0.002 0.000 0.278 836 C C 2.517 177.419 174.990 -0.148 0.000 1.253 836 C CA 1.438 60.433 59.018 -0.039 0.000 1.713 836 C CB -1.216 26.651 27.740 0.212 0.000 2.049 836 C HN 0.547 nan 8.230 nan 0.000 0.477 837 D N 0.592 120.928 120.400 -0.106 0.000 2.218 837 D HA -0.074 4.565 4.640 -0.002 0.000 0.204 837 D C 2.055 178.321 176.300 -0.056 0.000 0.976 837 D CA 1.283 55.225 54.000 -0.096 0.000 0.853 837 D CB -0.037 40.741 40.800 -0.038 0.000 0.939 837 D HN 0.436 nan 8.370 nan 0.000 0.481 838 A N -0.515 122.291 122.820 -0.024 0.000 1.929 838 A HA -0.023 4.295 4.320 -0.002 0.000 0.216 838 A C 2.288 179.851 177.584 -0.035 0.000 1.176 838 A CA 0.952 53.045 52.037 0.094 0.000 0.628 838 A CB -0.321 18.868 19.000 0.316 0.000 0.816 838 A HN 0.212 nan 8.150 nan 0.000 0.444 839 V N -0.458 119.260 119.914 -0.325 0.000 2.788 839 V HA -0.064 4.054 4.120 -0.002 0.000 0.251 839 V C 2.880 178.876 176.094 -0.163 0.000 1.068 839 V CA 1.308 63.260 62.300 -0.580 0.000 1.090 839 V CB -0.647 30.452 31.823 -1.207 0.000 0.710 839 V HN 0.567 nan 8.190 nan 0.000 0.467 840 A N 0.929 123.706 122.820 -0.072 0.000 1.972 840 A HA -0.182 4.137 4.320 -0.002 0.000 0.219 840 A C 2.514 180.149 177.584 0.085 0.000 1.169 840 A CA 1.958 54.039 52.037 0.073 0.000 0.635 840 A CB -0.597 18.405 19.000 0.004 0.000 0.810 840 A HN 0.670 nan 8.150 nan 0.000 0.446 841 S N -1.804 113.887 115.700 -0.015 0.000 2.423 841 S HA -0.144 4.325 4.470 -0.002 0.000 0.231 841 S C 0.444 175.000 174.600 -0.073 0.000 1.014 841 S CA 0.086 58.238 58.200 -0.081 0.000 0.965 841 S CB -0.702 62.386 63.200 -0.186 0.000 0.785 841 S HN 0.524 nan 8.310 nan 0.000 0.495 842 W N 1.789 123.032 121.300 -0.096 0.000 2.397 842 W HA 0.262 4.921 4.660 -0.002 0.000 0.327 842 W C 1.156 177.754 176.519 0.131 0.000 1.421 842 W CA -0.700 56.620 57.345 -0.041 0.000 1.288 842 W CB 0.222 29.628 29.460 -0.089 0.000 1.312 842 W HN 0.146 nan 8.180 nan 0.000 0.559 843 I N 2.118 122.873 120.570 0.309 0.000 2.731 843 I HA -0.025 4.143 4.170 -0.002 0.000 0.260 843 I C 0.481 176.827 176.117 0.381 0.000 1.138 843 I CA 0.948 62.424 61.300 0.293 0.000 1.461 843 I CB -0.783 37.294 38.000 0.127 0.000 1.128 843 I HN 0.424 nan 8.210 nan 0.000 0.438 844 N N 2.061 120.989 118.700 0.380 0.000 2.791 844 N HA 0.263 5.001 4.740 -0.002 0.000 0.265 844 N C -2.621 173.099 175.510 0.350 0.000 1.580 844 N CA -1.073 52.173 53.050 0.327 0.000 0.809 844 N CB 1.282 39.898 38.487 0.215 0.000 1.178 844 N HN -0.003 nan 8.380 nan 0.000 0.499 845 P HA 0.161 nan 4.420 nan 0.000 0.277 845 P C -0.755 176.454 177.300 -0.153 0.000 1.240 845 P CA -0.266 62.732 63.100 -0.169 0.000 0.798 845 P CB 1.163 32.619 31.700 -0.406 0.000 0.979 846 K N 1.708 121.970 120.400 -0.229 0.000 2.326 846 K HA 0.026 4.344 4.320 -0.002 0.000 0.275 846 K C 0.933 177.436 176.600 -0.161 0.000 1.018 846 K CA -0.278 55.924 56.287 -0.141 0.000 0.962 846 K CB 0.316 32.740 32.500 -0.126 0.000 0.953 846 K HN 0.387 nan 8.250 nan 0.000 0.475 847 D N 2.477 122.824 120.400 -0.088 0.000 2.248 847 D HA -0.255 4.383 4.640 -0.002 0.000 0.189 847 D C 1.421 177.657 176.300 -0.107 0.000 1.011 847 D CA 2.114 56.071 54.000 -0.071 0.000 0.868 847 D CB 0.020 40.797 40.800 -0.037 0.000 0.931 847 D HN 0.694 nan 8.370 nan 0.000 0.449 848 D N -0.001 120.326 120.400 -0.121 0.000 2.162 848 D HA -0.117 4.521 4.640 -0.002 0.000 0.203 848 D C 2.352 178.512 176.300 -0.233 0.000 0.967 848 D CA 0.224 54.145 54.000 -0.131 0.000 0.840 848 D CB -0.859 39.887 40.800 -0.090 0.000 0.972 848 D HN 0.250 nan 8.370 nan 0.000 0.482 849 L N 0.558 121.573 121.223 -0.347 0.000 2.191 849 L HA -0.062 4.277 4.340 -0.002 0.000 0.212 849 L C 2.526 178.858 176.870 -0.897 0.000 1.103 849 L CA 1.070 55.514 54.840 -0.660 0.000 0.769 849 L CB -0.220 41.396 42.059 -0.739 0.000 0.908 849 L HN -0.150 nan 8.230 nan 0.000 0.438 850 R N -0.013 120.196 120.500 -0.485 0.000 2.103 850 R HA -0.182 4.157 4.340 -0.002 0.000 0.234 850 R C 1.864 178.110 176.300 -0.090 0.000 1.132 850 R CA 1.997 57.973 56.100 -0.208 0.000 0.925 850 R CB -1.011 29.217 30.300 -0.121 0.000 0.842 850 R HN 0.432 nan 8.270 nan 0.000 0.430 851 D N 0.377 120.719 120.400 -0.097 0.000 2.182 851 D HA -0.163 4.476 4.640 -0.002 0.000 0.201 851 D C 1.938 178.207 176.300 -0.051 0.000 0.986 851 D CA 1.170 55.150 54.000 -0.033 0.000 0.847 851 D CB -0.204 40.571 40.800 -0.042 0.000 0.942 851 D HN 0.250 nan 8.370 nan 0.000 0.467 852 M N -0.641 118.852 119.600 -0.177 0.000 2.175 852 M HA -0.110 4.369 4.480 -0.002 0.000 0.264 852 M C 1.595 177.886 176.300 -0.016 0.000 1.063 852 M CA 0.968 56.173 55.300 -0.157 0.000 1.119 852 M CB -0.112 32.312 32.600 -0.294 0.000 1.377 852 M HN -0.031 nan 8.290 nan 0.000 0.415 853 F N -0.345 119.569 119.950 -0.060 0.000 2.234 853 F HA -0.110 4.415 4.527 -0.002 0.000 0.296 853 F C 2.585 178.324 175.800 -0.102 0.000 1.089 853 F CA 0.252 58.165 58.000 -0.145 0.000 1.343 853 F CB -1.525 37.172 39.000 -0.505 0.000 1.040 853 F HN 0.200 nan 8.300 nan 0.000 0.498 854 C N 0.378 119.793 119.300 0.191 0.000 2.440 854 C HA -0.211 4.248 4.460 -0.002 0.000 0.282 854 C C 2.728 177.847 174.990 0.215 0.000 1.223 854 C CA 0.933 60.110 59.018 0.264 0.000 1.744 854 C CB -0.921 26.995 27.740 0.293 0.000 2.061 854 C HN 0.307 nan 8.230 nan 0.000 0.456 855 K N 0.577 121.056 120.400 0.133 0.000 2.137 855 K HA -0.227 4.092 4.320 -0.002 0.000 0.216 855 K C 1.394 178.052 176.600 0.097 0.000 1.052 855 K CA 1.911 58.259 56.287 0.101 0.000 0.939 855 K CB -0.589 31.945 32.500 0.056 0.000 0.724 855 K HN 0.571 nan 8.250 nan 0.000 0.465 856 I N -0.529 120.042 120.570 0.002 0.000 2.188 856 I HA -0.228 3.940 4.170 -0.002 0.000 0.237 856 I C 2.061 178.145 176.117 -0.056 0.000 1.073 856 I CA 0.881 61.999 61.300 -0.303 0.000 1.359 856 I CB -0.287 37.524 38.000 -0.315 0.000 1.083 856 I HN 0.030 nan 8.210 nan 0.000 0.412 857 L N -0.057 121.269 121.223 0.172 0.000 2.081 857 L HA -0.289 4.049 4.340 -0.002 0.000 0.212 857 L C 2.541 179.316 176.870 -0.159 0.000 1.080 857 L CA 1.668 56.591 54.840 0.137 0.000 0.754 857 L CB -0.813 41.316 42.059 0.117 0.000 0.893 857 L HN 0.332 nan 8.230 nan 0.000 0.433 858 H N -1.095 117.939 119.070 -0.059 0.000 2.276 858 H HA -0.037 4.518 4.556 -0.002 0.000 0.307 858 H C 2.211 177.511 175.328 -0.047 0.000 1.061 858 H CA 1.329 57.318 56.048 -0.100 0.000 1.336 858 H CB -0.300 29.446 29.762 -0.026 0.000 1.396 858 H HN 0.248 nan 8.280 nan 0.000 0.503 859 G N -0.810 108.141 108.800 0.252 0.000 2.498 859 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.219 859 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.219 859 G C 0.511 175.539 174.900 0.214 0.000 1.119 859 G CA 0.617 45.862 45.100 0.240 0.000 0.766 859 G HN 0.258 nan 8.290 nan 0.000 0.552 860 F N -0.410 119.428 119.950 -0.186 0.000 2.678 860 F HA 0.357 4.883 4.527 -0.002 0.000 0.305 860 F C 1.967 177.508 175.800 -0.432 0.000 1.090 860 F CA -0.586 57.224 58.000 -0.317 0.000 1.272 860 F CB 0.497 39.253 39.000 -0.407 0.000 1.060 860 F HN 0.135 nan 8.300 nan 0.000 0.576 861 K N 0.259 120.519 120.400 -0.233 0.000 2.244 861 K HA 0.001 4.320 4.320 -0.002 0.000 0.200 861 K C 1.272 177.762 176.600 -0.184 0.000 1.052 861 K CA 0.761 56.849 56.287 -0.331 0.000 0.980 861 K CB 0.065 32.114 32.500 -0.751 0.000 0.838 861 K HN -0.005 nan 8.250 nan 0.000 0.481 862 N N 1.169 119.791 118.700 -0.130 0.000 2.309 862 N HA -0.097 4.642 4.740 -0.002 0.000 0.182 862 N C 1.366 176.813 175.510 -0.105 0.000 1.018 862 N CA 0.870 53.869 53.050 -0.084 0.000 0.876 862 N CB 0.091 38.553 38.487 -0.043 0.000 0.972 862 N HN 0.217 nan 8.380 nan 0.000 0.434 863 Q N -0.406 119.302 119.800 -0.153 0.000 2.482 863 Q HA 0.079 4.418 4.340 -0.002 0.000 0.209 863 Q C 0.979 176.889 176.000 -0.151 0.000 0.961 863 Q CA 0.371 56.061 55.803 -0.189 0.000 0.945 863 Q CB 0.469 29.015 28.738 -0.319 0.000 1.012 863 Q HN 0.236 nan 8.270 nan 0.000 0.515 864 V N -1.693 118.147 119.914 -0.123 0.000 3.497 864 V HA 0.332 4.450 4.120 -0.002 0.000 0.272 864 V C 0.311 176.384 176.094 -0.035 0.000 1.474 864 V CA 0.883 63.132 62.300 -0.085 0.000 1.025 864 V CB 1.018 32.776 31.823 -0.108 0.000 0.820 864 V HN 0.417 nan 8.190 nan 0.000 0.437 865 G N 0.354 109.136 108.800 -0.030 0.000 2.619 865 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.686 865 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.686 865 G C -0.305 174.620 174.900 0.041 0.000 1.256 865 G CA -0.003 45.096 45.100 -0.001 0.000 0.826 865 G HN 0.124 nan 8.290 nan 0.000 0.619 866 D N 0.464 120.889 120.400 0.043 0.000 2.144 866 D HA 0.012 4.650 4.640 -0.002 0.000 0.200 866 D C 2.300 178.671 176.300 0.120 0.000 0.978 866 D CA 1.941 55.988 54.000 0.079 0.000 0.833 866 D CB 0.041 40.872 40.800 0.052 0.000 0.961 866 D HN 0.693 nan 8.370 nan 0.000 0.470 867 E N 0.208 120.456 120.200 0.080 0.000 2.299 867 E HA -0.019 4.329 4.350 -0.002 0.000 0.193 867 E C 1.441 178.084 176.600 0.071 0.000 0.998 867 E CA 0.495 56.936 56.400 0.067 0.000 0.851 867 E CB -0.459 29.265 29.700 0.039 0.000 0.795 867 E HN 0.123 nan 8.360 nan 0.000 0.492 868 N N 0.365 119.114 118.700 0.083 0.000 2.171 868 N HA -0.099 4.639 4.740 -0.002 0.000 0.184 868 N C 1.028 176.622 175.510 0.140 0.000 1.021 868 N CA 1.262 54.363 53.050 0.085 0.000 0.854 868 N CB -0.307 38.213 38.487 0.055 0.000 0.994 868 N HN 0.365 nan 8.380 nan 0.000 0.426 869 W N 2.300 123.590 121.300 -0.017 0.000 2.358 869 W HA -0.120 4.538 4.660 -0.002 0.000 0.303 869 W C 2.061 178.602 176.519 0.036 0.000 1.208 869 W CA 1.067 58.416 57.345 0.006 0.000 1.274 869 W CB -0.319 29.115 29.460 -0.044 0.000 1.138 869 W HN 0.050 nan 8.180 nan 0.000 0.515 870 R N 0.675 121.209 120.500 0.058 0.000 2.096 870 R HA -0.217 4.122 4.340 -0.002 0.000 0.240 870 R C 2.506 178.706 176.300 -0.167 0.000 1.139 870 R CA 2.479 58.539 56.100 -0.068 0.000 0.952 870 R CB -0.439 29.877 30.300 0.026 0.000 0.854 870 R HN 0.107 nan 8.270 nan 0.000 0.436 871 R N -1.030 119.421 120.500 -0.082 0.000 2.148 871 R HA -0.106 4.232 4.340 -0.002 0.000 0.223 871 R C 2.126 178.348 176.300 -0.130 0.000 1.088 871 R CA 1.276 57.325 56.100 -0.084 0.000 0.985 871 R CB -0.296 29.993 30.300 -0.018 0.000 0.880 871 R HN 0.277 nan 8.270 nan 0.000 0.451 872 F N 1.497 121.255 119.950 -0.321 0.000 2.206 872 F HA -0.100 4.425 4.527 -0.002 0.000 0.298 872 F C 1.619 177.023 175.800 -0.659 0.000 1.090 872 F CA 1.238 59.012 58.000 -0.377 0.000 1.323 872 F CB 0.149 38.946 39.000 -0.338 0.000 1.028 872 F HN -0.118 nan 8.300 nan 0.000 0.492 873 S N -0.996 114.106 115.700 -0.996 0.000 2.602 873 S HA 0.117 4.585 4.470 -0.002 0.000 0.246 873 S C 0.745 174.702 174.600 -1.071 0.000 1.009 873 S CA -0.268 56.846 58.200 -1.810 0.000 1.052 873 S CB -0.405 61.725 63.200 -1.783 0.000 0.778 873 S HN 0.297 nan 8.310 nan 0.000 0.455 874 D N 2.228 122.276 120.400 -0.586 0.000 2.216 874 D HA -0.019 4.620 4.640 -0.002 0.000 0.208 874 D C 1.208 177.441 176.300 -0.112 0.000 0.960 874 D CA 0.957 54.794 54.000 -0.272 0.000 0.861 874 D CB -0.173 40.520 40.800 -0.179 0.000 0.985 874 D HN 0.490 nan 8.370 nan 0.000 0.493 875 Q N -0.008 119.768 119.800 -0.040 0.000 2.387 875 Q HA 0.074 4.412 4.340 -0.002 0.000 0.211 875 Q C -0.575 175.599 176.000 0.289 0.000 0.952 875 Q CA 0.179 56.041 55.803 0.097 0.000 0.957 875 Q CB -0.352 28.407 28.738 0.035 0.000 1.002 875 Q HN 0.092 nan 8.270 nan 0.000 0.502 876 F N 1.575 121.460 119.950 -0.108 0.000 2.411 876 F HA 0.381 4.907 4.527 -0.002 0.000 0.350 876 F C -1.771 174.011 175.800 -0.030 0.000 1.114 876 F CA -3.874 54.087 58.000 -0.064 0.000 1.135 876 F CB 0.390 39.354 39.000 -0.060 0.000 1.120 876 F HN -0.051 nan 8.300 nan 0.000 0.495 877 P HA 0.009 nan 4.420 nan 0.000 0.270 877 P C 1.310 178.662 177.300 0.087 0.000 1.223 877 P CA -0.429 62.712 63.100 0.069 0.000 0.785 877 P CB 0.854 32.568 31.700 0.024 0.000 0.923 878 L N 2.906 124.166 121.223 0.061 0.000 2.013 878 L HA -0.124 4.215 4.340 -0.002 0.000 0.212 878 L C -0.792 176.115 176.870 0.060 0.000 1.073 878 L CA 2.851 57.726 54.840 0.059 0.000 0.753 878 L CB -2.398 39.684 42.059 0.038 0.000 0.890 878 L HN 0.351 nan 8.230 nan 0.000 0.432 879 P HA -0.179 nan 4.420 nan 0.000 0.216 879 P C 1.769 179.105 177.300 0.061 0.000 1.150 879 P CA 1.116 64.239 63.100 0.038 0.000 0.837 879 P CB -0.041 31.671 31.700 0.019 0.000 0.786 880 L N -0.102 121.159 121.223 0.064 0.000 2.034 880 L HA -0.000 4.339 4.340 -0.002 0.000 0.203 880 L C 2.218 179.204 176.870 0.193 0.000 1.074 880 L CA 2.106 56.988 54.840 0.069 0.000 0.748 880 L CB -1.479 40.544 42.059 -0.060 0.000 0.905 880 L HN -0.301 nan 8.230 nan 0.000 0.439 881 K N 0.191 120.757 120.400 0.277 0.000 2.032 881 K HA -0.226 4.093 4.320 -0.002 0.000 0.209 881 K C 2.133 178.888 176.600 0.258 0.000 1.048 881 K CA 1.865 58.381 56.287 0.382 0.000 0.927 881 K CB -0.443 32.226 32.500 0.282 0.000 0.712 881 K HN 0.401 nan 8.250 nan 0.000 0.441 882 E N -0.177 120.124 120.200 0.169 0.000 2.418 882 E HA -0.040 4.309 4.350 -0.002 0.000 0.197 882 E C 1.766 178.433 176.600 0.113 0.000 1.026 882 E CA 0.622 57.094 56.400 0.120 0.000 0.862 882 E CB 0.060 29.804 29.700 0.073 0.000 0.799 882 E HN 0.162 nan 8.360 nan 0.000 0.518 883 R N -0.543 120.045 120.500 0.147 0.000 2.075 883 R HA 0.035 4.374 4.340 -0.002 0.000 0.220 883 R C 1.935 178.389 176.300 0.256 0.000 1.118 883 R CA 0.516 56.699 56.100 0.139 0.000 0.986 883 R CB -0.304 30.087 30.300 0.152 0.000 0.884 883 R HN 0.237 nan 8.270 nan 0.000 0.439 884 L N 0.898 122.345 121.223 0.373 0.000 2.141 884 L HA -0.025 4.314 4.340 -0.002 0.000 0.209 884 L C 2.244 179.395 176.870 0.468 0.000 1.094 884 L CA 1.665 56.839 54.840 0.556 0.000 0.763 884 L CB -0.398 42.020 42.059 0.597 0.000 0.908 884 L HN 0.160 nan 8.230 nan 0.000 0.437 885 A N -1.190 121.832 122.820 0.337 0.000 1.929 885 A HA 0.031 4.350 4.320 -0.002 0.000 0.216 885 A C 2.362 180.047 177.584 0.169 0.000 1.176 885 A CA 1.272 53.459 52.037 0.251 0.000 0.628 885 A CB -0.724 18.402 19.000 0.209 0.000 0.816 885 A HN 0.406 nan 8.150 nan 0.000 0.444 886 A N -2.098 120.789 122.820 0.113 0.000 2.016 886 A HA 0.221 4.539 4.320 -0.002 0.000 0.217 886 A C 1.949 179.526 177.584 -0.011 0.000 1.162 886 A CA 0.885 52.931 52.037 0.016 0.000 0.662 886 A CB -0.437 18.522 19.000 -0.067 0.000 0.812 886 A HN 0.542 nan 8.150 nan 0.000 0.450 887 F N -2.456 117.400 119.950 -0.157 0.000 2.274 887 F HA 0.053 4.579 4.527 -0.002 0.000 0.288 887 F C 1.424 176.932 175.800 -0.486 0.000 1.069 887 F CA 0.645 58.357 58.000 -0.479 0.000 1.343 887 F CB 0.492 38.907 39.000 -0.975 0.000 1.089 887 F HN 0.284 nan 8.300 nan 0.000 0.517 888 Y N -0.359 120.147 120.300 0.343 0.000 2.500 888 Y HA 0.382 4.930 4.550 -0.002 0.000 0.246 888 Y C 0.991 177.018 175.900 0.212 0.000 1.146 888 Y CA 0.020 58.265 58.100 0.242 0.000 1.230 888 Y CB 0.473 39.058 38.460 0.208 0.000 1.214 888 Y HN 0.041 nan 8.280 nan 0.000 0.526 889 G N 1.463 110.429 108.800 0.277 0.000 2.417 889 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.291 889 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.291 889 G C 0.067 175.007 174.900 0.066 0.000 1.094 889 G CA -0.261 44.965 45.100 0.209 0.000 1.146 889 G HN 0.432 nan 8.290 nan 0.000 0.519 890 V N 0.000 120.013 119.914 0.164 0.000 2.409 890 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 890 V CA 0.000 62.433 62.300 0.222 0.000 1.235 890 V CB 0.000 31.984 31.823 0.268 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556