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 3k72_1_B DATA FIRST_RESID 1 DATA SEQUENCE QEcTKFKVSS cREcIESGPG cTWcQKLNFT GPGDPDSIRc DTRPQLLMRG DATA SEQUENCE cAADDIMDPT SLAETQEDHN GGQKQLSPQK VTLYLRPGQA AAFNVTFRRA DATA SEQUENCE KGYPIDLYYL MDLSYSMLDD LRNVKKLGGD LLRALNEITE SGRIGFGSFV DATA SEQUENCE DKTVLPFVNT HPDKLRNPcP NKEKEcQPPF AFRHVLKLTN NSNQFQTEVG DATA SEQUENCE KQLISGNLDA PEGGLDAMMQ VAAcPEEIGW RNVTRLLVFA TDDGFHFAGD DATA SEQUENCE GKLGAILTPN DGRcHLEDNL YKRSNEFDYP SVGQLAHKLA ENNIQPIFAV DATA SEQUENCE TSRMVKTYEK LTEIIPKSAV GELSEDSSNV VQLIKNAYNK LSSRVFLDHN DATA SEQUENCE ALPDTLKVTY DSFcSNGVTH RNQPRGDcDG VQINVPITFQ VKVTATEcIQ DATA SEQUENCE EQSFVIRALG FTDIVTVQVL PQcEcRcRDQ SRDRSLcHGK GFLEcGIcRc DATA SEQUENCE DTGYIGKNcE cQTQGRSSQE LEGScRKDNN SIIcSGLGDc VcGQcLcHTS DATA SEQUENCE DVPGKLIYGQ YcEcDTINcE RYNGQVcGGP GRGLcFcGKc RcHPGFEGSA DATA SEQUENCE cQcERTTEGc LNPRRVEcSG RGRcRcNVcE cHSGYQLPLc QECPGCPSPc DATA SEQUENCE GKYIScAEcL KFEKGPFGKN cSAAcPGLQL SNNPVKGRTc KERDSEGcWV DATA SEQUENCE AYTLEQQDGM DRYLIYVDES REc 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.006 176.000 0.010 0.000 1.003 1 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 1 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 2 E N 0.117 120.322 120.200 0.008 0.000 2.451 2 E HA 0.532 5.000 4.350 0.196 0.000 0.295 2 E C -1.658 174.943 176.600 0.002 0.000 0.966 2 E CA -0.682 55.721 56.400 0.005 0.000 0.808 2 E CB 1.697 31.396 29.700 -0.001 0.000 1.242 2 E HN 0.271 nan 8.360 nan 0.000 0.412 3 c N 2.963 121.567 118.600 0.006 0.000 3.096 3 c HA 0.359 5.047 4.570 0.196 0.000 0.391 3 c C -1.009 173.094 174.090 0.021 0.000 1.085 3 c CA 0.010 56.343 56.329 0.007 0.000 1.289 3 c CB 0.390 42.913 42.510 0.022 0.000 1.685 3 c HN 0.788 nan 8.230 nan 0.000 0.515 4 T N 5.101 119.656 114.554 0.001 0.000 2.799 4 T HA 0.339 4.806 4.350 0.196 0.000 0.286 4 T C -0.197 174.537 174.700 0.056 0.000 0.973 4 T CA -0.330 61.794 62.100 0.039 0.000 1.035 4 T CB 1.055 69.942 68.868 0.031 0.000 0.932 4 T HN 0.642 nan 8.240 nan 0.000 0.469 5 K N 2.720 123.194 120.400 0.123 0.000 2.349 5 K HA 0.263 4.701 4.320 0.196 0.000 0.289 5 K C -0.280 176.405 176.600 0.142 0.000 1.064 5 K CA -0.340 56.031 56.287 0.140 0.000 0.947 5 K CB 0.388 32.980 32.500 0.153 0.000 1.007 5 K HN 0.467 nan 8.250 nan 0.000 0.478 6 F N 2.463 122.365 119.950 -0.080 0.000 2.291 6 F HA 0.142 4.787 4.527 0.196 0.000 0.305 6 F C 0.721 176.445 175.800 -0.127 0.000 1.171 6 F CA -0.751 57.124 58.000 -0.208 0.000 1.090 6 F CB 0.589 39.493 39.000 -0.161 0.000 1.436 6 F HN 0.288 nan 8.300 nan 0.000 0.509 7 K N 2.041 121.735 120.400 -1.177 0.000 2.367 7 K HA 0.158 4.596 4.320 0.196 0.000 0.275 7 K C -1.459 175.096 176.600 -0.075 0.000 1.125 7 K CA 0.010 55.969 56.287 -0.547 0.000 1.133 7 K CB -0.360 31.743 32.500 -0.662 0.000 0.875 7 K HN 0.430 nan 8.250 nan 0.000 0.467 8 V N 4.547 124.465 119.914 0.007 0.000 2.304 8 V HA 0.048 4.285 4.120 0.196 0.000 0.269 8 V C 0.790 176.925 176.094 0.068 0.000 1.036 8 V CA -0.140 62.213 62.300 0.088 0.000 0.840 8 V CB 0.913 32.844 31.823 0.180 0.000 1.036 8 V HN 0.896 nan 8.190 nan 0.000 0.466 9 S N 3.326 119.039 115.700 0.023 0.000 2.527 9 S HA 0.182 4.770 4.470 0.196 0.000 0.227 9 S C 0.893 175.465 174.600 -0.048 0.000 1.059 9 S CA 0.582 58.786 58.200 0.006 0.000 0.919 9 S CB 0.346 63.547 63.200 0.001 0.000 0.805 9 S HN 0.868 nan 8.310 nan 0.000 0.500 10 S N -0.289 115.310 115.700 -0.168 0.000 2.851 10 S HA 0.326 4.913 4.470 0.196 0.000 0.313 10 S C 1.289 175.358 174.600 -0.885 0.000 1.163 10 S CA -0.135 57.840 58.200 -0.375 0.000 0.850 10 S CB 0.466 63.527 63.200 -0.232 0.000 1.245 10 S HN 0.609 nan 8.310 nan 0.000 0.558 11 c N 0.085 117.982 118.600 -1.173 0.000 2.432 11 c HA 0.189 4.876 4.570 0.196 0.000 0.280 11 c C 2.557 176.253 174.090 -0.657 0.000 1.353 11 c CA 1.019 56.412 56.329 -1.559 0.000 1.766 11 c CB -1.629 40.114 42.510 -1.279 0.000 1.924 11 c HN 0.970 nan 8.230 nan 0.000 0.509 12 R N 1.249 121.507 120.500 -0.402 0.000 2.090 12 R HA -0.032 4.426 4.340 0.196 0.000 0.228 12 R C 2.208 178.423 176.300 -0.141 0.000 1.110 12 R CA 1.498 57.473 56.100 -0.207 0.000 0.973 12 R CB -0.341 29.877 30.300 -0.137 0.000 0.869 12 R HN 0.649 nan 8.270 nan 0.000 0.440 13 E N -0.284 119.835 120.200 -0.136 0.000 2.418 13 E HA -0.162 4.305 4.350 0.196 0.000 0.197 13 E C 1.807 178.418 176.600 0.019 0.000 1.026 13 E CA 0.633 57.020 56.400 -0.020 0.000 0.862 13 E CB 0.010 29.727 29.700 0.028 0.000 0.799 13 E HN 0.393 nan 8.360 nan 0.000 0.518 14 c N 0.456 119.032 118.600 -0.040 0.000 2.504 14 c HA 0.039 4.726 4.570 0.196 0.000 0.279 14 c C 2.267 176.383 174.090 0.043 0.000 1.358 14 c CA -0.110 56.268 56.329 0.081 0.000 1.747 14 c CB -0.533 42.129 42.510 0.254 0.000 2.037 14 c HN 0.282 nan 8.230 nan 0.000 0.503 15 I N 1.338 121.896 120.570 -0.021 0.000 2.353 15 I HA -0.049 4.239 4.170 0.196 0.000 0.248 15 I C 2.144 178.235 176.117 -0.043 0.000 1.119 15 I CA 1.443 62.728 61.300 -0.025 0.000 1.417 15 I CB -1.455 36.515 38.000 -0.050 0.000 1.078 15 I HN 0.480 nan 8.210 nan 0.000 0.421 16 E N 0.177 120.341 120.200 -0.059 0.000 2.438 16 E HA 0.011 4.479 4.350 0.196 0.000 0.192 16 E C 1.667 178.176 176.600 -0.151 0.000 1.110 16 E CA 0.002 56.338 56.400 -0.107 0.000 0.893 16 E CB 0.122 29.748 29.700 -0.123 0.000 0.990 16 E HN 0.304 nan 8.360 nan 0.000 0.490 17 S N -0.285 115.361 115.700 -0.089 0.000 2.468 17 S HA 0.225 4.813 4.470 0.196 0.000 0.226 17 S C 0.713 175.222 174.600 -0.152 0.000 1.051 17 S CA 0.441 58.577 58.200 -0.107 0.000 0.943 17 S CB 0.968 64.166 63.200 -0.004 0.000 0.810 17 S HN 0.416 nan 8.310 nan 0.000 0.509 18 G N 0.519 109.260 108.800 -0.098 0.000 2.325 18 G HA2 0.343 4.421 3.960 0.196 0.000 0.297 18 G HA3 0.343 4.421 3.960 0.196 0.000 0.297 18 G C -2.902 171.969 174.900 -0.048 0.000 1.448 18 G CA -0.778 44.267 45.100 -0.092 0.000 0.838 18 G HN -0.158 nan 8.290 nan 0.000 0.579 19 P HA 0.028 nan 4.420 nan 0.000 0.215 19 P C 1.768 179.063 177.300 -0.008 0.000 1.157 19 P CA 1.835 64.923 63.100 -0.019 0.000 0.868 19 P CB 0.151 31.841 31.700 -0.017 0.000 0.788 20 G N -1.593 107.201 108.800 -0.009 0.000 3.332 20 G HA2 0.067 4.144 3.960 0.196 0.000 0.242 20 G HA3 0.067 4.144 3.960 0.196 0.000 0.242 20 G C -0.225 174.680 174.900 0.009 0.000 1.276 20 G CA -0.128 44.973 45.100 0.001 0.000 0.988 20 G HN 0.267 nan 8.290 nan 0.000 0.517 21 c N 1.477 120.085 118.600 0.013 0.000 2.273 21 c HA 0.718 5.406 4.570 0.196 0.000 0.328 21 c C 0.741 174.864 174.090 0.056 0.000 1.275 21 c CA -0.707 55.643 56.329 0.035 0.000 1.704 21 c CB 0.125 42.656 42.510 0.035 0.000 2.326 21 c HN 0.516 nan 8.230 nan 0.000 0.517 22 T N 0.503 115.097 114.554 0.068 0.000 2.942 22 T HA 0.703 5.170 4.350 0.196 0.000 0.289 22 T C -0.948 173.845 174.700 0.154 0.000 1.044 22 T CA -0.617 61.534 62.100 0.086 0.000 1.023 22 T CB 1.966 70.853 68.868 0.033 0.000 1.123 22 T HN 0.826 nan 8.240 nan 0.000 0.512 23 W N 0.761 122.026 121.300 -0.060 0.000 2.936 23 W HA 0.604 5.382 4.660 0.196 0.000 0.338 23 W C -1.645 174.800 176.519 -0.122 0.000 1.121 23 W CA -1.422 55.875 57.345 -0.081 0.000 1.209 23 W CB 2.006 31.433 29.460 -0.055 0.000 1.420 23 W HN 0.965 nan 8.180 nan 0.000 0.516 24 c N 6.085 124.118 118.600 -0.946 0.000 2.351 24 c HA 0.297 4.985 4.570 0.196 0.000 0.326 24 c C 1.196 174.869 174.090 -0.695 0.000 1.272 24 c CA -0.179 55.710 56.329 -0.733 0.000 1.650 24 c CB 0.848 42.800 42.510 -0.930 0.000 2.257 24 c HN 0.792 nan 8.230 nan 0.000 0.505 25 Q N 3.177 122.850 119.800 -0.212 0.000 2.378 25 Q HA 0.116 4.574 4.340 0.196 0.000 0.216 25 Q C 0.585 176.556 176.000 -0.049 0.000 0.892 25 Q CA -0.023 55.786 55.803 0.010 0.000 0.931 25 Q CB 0.065 28.877 28.738 0.124 0.000 1.086 25 Q HN 0.710 nan 8.270 nan 0.000 0.528 26 K N 1.999 122.328 120.400 -0.119 0.000 2.437 26 K HA 0.025 4.463 4.320 0.196 0.000 0.277 26 K C -0.415 176.189 176.600 0.007 0.000 1.073 26 K CA -0.108 56.151 56.287 -0.047 0.000 1.105 26 K CB 0.310 32.784 32.500 -0.044 0.000 0.881 26 K HN 0.191 nan 8.250 nan 0.000 0.475 27 L N 3.748 124.993 121.223 0.036 0.000 2.456 27 L HA -0.052 4.406 4.340 0.196 0.000 0.246 27 L C 0.881 177.799 176.870 0.080 0.000 1.238 27 L CA -0.092 54.780 54.840 0.053 0.000 0.826 27 L CB 0.101 42.182 42.059 0.036 0.000 1.150 27 L HN 0.921 nan 8.230 nan 0.000 0.514 28 N N -0.467 118.269 118.700 0.060 0.000 2.681 28 N HA -0.308 4.550 4.740 0.196 0.000 0.250 28 N C 0.266 175.811 175.510 0.059 0.000 1.133 28 N CA 1.227 54.301 53.050 0.041 0.000 0.732 28 N CB -1.474 37.027 38.487 0.024 0.000 1.107 28 N HN 0.559 nan 8.380 nan 0.000 0.559 29 F N 0.524 120.439 119.950 -0.059 0.000 2.569 29 F HA 0.130 4.775 4.527 0.196 0.000 0.295 29 F C 0.751 176.506 175.800 -0.075 0.000 1.115 29 F CA 0.622 58.577 58.000 -0.076 0.000 1.450 29 F CB 0.471 39.403 39.000 -0.113 0.000 1.107 29 F HN -0.149 nan 8.300 nan 0.000 0.563 30 T N 1.590 116.162 114.554 0.031 0.000 2.761 30 T HA 0.414 4.881 4.350 0.196 0.000 0.296 30 T C 0.733 175.380 174.700 -0.088 0.000 0.934 30 T CA -0.036 62.044 62.100 -0.034 0.000 1.091 30 T CB 0.722 69.599 68.868 0.014 0.000 0.896 30 T HN 0.321 nan 8.240 nan 0.000 0.515 31 G N 3.910 112.634 108.800 -0.125 0.000 2.647 31 G HA2 0.201 4.279 3.960 0.196 0.000 0.271 31 G HA3 0.201 4.279 3.960 0.196 0.000 0.271 31 G C -1.224 173.640 174.900 -0.060 0.000 1.300 31 G CA -1.190 43.848 45.100 -0.104 0.000 0.997 31 G HN 0.409 nan 8.290 nan 0.000 0.533 32 P HA -0.066 nan 4.420 nan 0.000 0.217 32 P C 0.991 178.277 177.300 -0.023 0.000 1.158 32 P CA 2.158 65.240 63.100 -0.030 0.000 0.887 32 P CB 0.133 31.818 31.700 -0.025 0.000 0.792 33 G N -1.214 107.571 108.800 -0.026 0.000 4.632 33 G HA2 0.175 4.253 3.960 0.196 0.000 0.244 33 G HA3 0.175 4.253 3.960 0.196 0.000 0.244 33 G C -1.187 173.695 174.900 -0.029 0.000 1.070 33 G CA -0.212 44.875 45.100 -0.021 0.000 0.791 33 G HN -0.043 nan 8.290 nan 0.000 0.544 34 D N 1.128 121.505 120.400 -0.038 0.000 2.217 34 D HA 0.484 5.242 4.640 0.196 0.000 0.248 34 D C -2.247 174.028 176.300 -0.041 0.000 1.008 34 D CA -1.424 52.550 54.000 -0.044 0.000 0.914 34 D CB 2.144 42.910 40.800 -0.057 0.000 1.182 34 D HN 0.029 nan 8.370 nan 0.000 0.451 35 P HA 0.092 nan 4.420 nan 0.000 0.270 35 P C 0.248 177.544 177.300 -0.005 0.000 1.223 35 P CA -0.139 62.931 63.100 -0.050 0.000 0.785 35 P CB 0.747 32.395 31.700 -0.087 0.000 0.923 36 D N -0.383 120.028 120.400 0.017 0.000 2.323 36 D HA -0.078 4.680 4.640 0.196 0.000 0.209 36 D C 1.533 177.879 176.300 0.077 0.000 0.973 36 D CA 0.955 54.989 54.000 0.057 0.000 0.874 36 D CB -0.207 40.650 40.800 0.095 0.000 0.930 36 D HN 0.363 nan 8.370 nan 0.000 0.521 37 S N 0.592 116.334 115.700 0.071 0.000 2.555 37 S HA -0.072 4.516 4.470 0.196 0.000 0.230 37 S C 2.134 176.766 174.600 0.053 0.000 0.978 37 S CA -0.001 58.260 58.200 0.102 0.000 0.934 37 S CB -0.728 62.519 63.200 0.079 0.000 0.766 37 S HN 0.500 nan 8.310 nan 0.000 0.533 38 I N -0.701 119.882 120.570 0.023 0.000 2.676 38 I HA 0.021 4.308 4.170 0.196 0.000 0.259 38 I C 2.244 178.349 176.117 -0.019 0.000 1.194 38 I CA 0.619 61.944 61.300 0.040 0.000 1.473 38 I CB -0.379 37.669 38.000 0.080 0.000 1.096 38 I HN 0.091 nan 8.210 nan 0.000 0.443 39 R N 0.527 120.898 120.500 -0.215 0.000 2.237 39 R HA -0.016 4.442 4.340 0.196 0.000 0.219 39 R C 0.726 176.648 176.300 -0.630 0.000 1.080 39 R CA 0.733 56.427 56.100 -0.677 0.000 0.995 39 R CB -0.376 29.152 30.300 -1.287 0.000 0.875 39 R HN 0.445 nan 8.270 nan 0.000 0.462 40 c N 1.719 120.194 118.600 -0.209 0.000 2.184 40 c HA 0.317 5.005 4.570 0.196 0.000 0.328 40 c C -0.510 173.604 174.090 0.039 0.000 1.081 40 c CA -0.792 55.570 56.329 0.055 0.000 1.533 40 c CB -0.781 41.916 42.510 0.312 0.000 1.905 40 c HN 0.289 nan 8.230 nan 0.000 0.439 41 D N 1.544 121.944 120.400 -0.000 0.000 2.898 41 D HA 0.530 5.288 4.640 0.196 0.000 0.266 41 D C -0.109 176.201 176.300 0.017 0.000 1.173 41 D CA 0.188 54.199 54.000 0.018 0.000 1.078 41 D CB 1.896 42.704 40.800 0.014 0.000 1.326 41 D HN 0.502 nan 8.370 nan 0.000 0.622 42 T N -1.711 112.852 114.554 0.015 0.000 2.922 42 T HA 0.319 4.787 4.350 0.196 0.000 0.285 42 T C 1.196 175.897 174.700 0.002 0.000 1.005 42 T CA -0.497 61.611 62.100 0.012 0.000 1.061 42 T CB 1.632 70.509 68.868 0.015 0.000 1.007 42 T HN 0.443 nan 8.240 nan 0.000 0.502 43 R N 1.332 121.833 120.500 0.002 0.000 2.103 43 R HA -0.087 4.371 4.340 0.196 0.000 0.242 43 R C -0.941 175.358 176.300 -0.003 0.000 1.142 43 R CA 1.702 57.799 56.100 -0.005 0.000 0.960 43 R CB -1.479 28.821 30.300 -0.000 0.000 0.858 43 R HN 0.534 nan 8.270 nan 0.000 0.439 44 P HA -0.139 nan 4.420 nan 0.000 0.215 44 P C 0.951 178.258 177.300 0.013 0.000 1.157 44 P CA 1.140 64.245 63.100 0.008 0.000 0.863 44 P CB -0.081 31.625 31.700 0.010 0.000 0.787 45 Q N -0.567 119.242 119.800 0.016 0.000 2.124 45 Q HA -0.104 4.354 4.340 0.196 0.000 0.202 45 Q C 2.302 178.324 176.000 0.036 0.000 0.977 45 Q CA 1.225 57.044 55.803 0.026 0.000 0.850 45 Q CB -1.052 27.703 28.738 0.029 0.000 0.901 45 Q HN 0.359 nan 8.270 nan 0.000 0.429 46 L N 0.063 121.294 121.223 0.013 0.000 2.046 46 L HA -0.190 4.268 4.340 0.196 0.000 0.208 46 L C 2.402 179.292 176.870 0.033 0.000 1.077 46 L CA 0.928 55.769 54.840 0.001 0.000 0.747 46 L CB -0.518 41.493 42.059 -0.081 0.000 0.896 46 L HN 0.189 nan 8.230 nan 0.000 0.432 47 L N -1.024 120.210 121.223 0.018 0.000 2.141 47 L HA -0.197 4.261 4.340 0.196 0.000 0.209 47 L C 2.567 179.458 176.870 0.036 0.000 1.094 47 L CA 1.036 55.891 54.840 0.024 0.000 0.763 47 L CB -0.336 41.730 42.059 0.012 0.000 0.908 47 L HN 0.352 nan 8.230 nan 0.000 0.437 48 M N -0.416 119.205 119.600 0.035 0.000 2.394 48 M HA -0.134 4.464 4.480 0.196 0.000 0.264 48 M C 2.168 178.491 176.300 0.039 0.000 1.073 48 M CA 1.485 56.803 55.300 0.030 0.000 1.111 48 M CB 0.046 32.661 32.600 0.025 0.000 1.401 48 M HN 0.104 nan 8.290 nan 0.000 0.448 49 R N -0.760 119.784 120.500 0.073 0.000 2.173 49 R HA 0.152 4.610 4.340 0.196 0.000 0.208 49 R C 1.406 177.762 176.300 0.094 0.000 1.035 49 R CA 0.876 57.027 56.100 0.086 0.000 1.004 49 R CB 0.313 30.727 30.300 0.190 0.000 0.917 49 R HN 0.636 nan 8.270 nan 0.000 0.462 50 G N 0.246 109.125 108.800 0.132 0.000 2.480 50 G HA2 -0.241 3.836 3.960 0.196 0.000 0.193 50 G HA3 -0.241 3.836 3.960 0.196 0.000 0.193 50 G C 0.119 175.117 174.900 0.163 0.000 1.004 50 G CA -0.254 44.918 45.100 0.120 0.000 0.696 50 G HN 0.335 nan 8.290 nan 0.000 0.478 51 c N 3.241 121.988 118.600 0.245 0.000 2.517 51 c HA 0.525 5.213 4.570 0.196 0.000 0.403 51 c C 1.749 175.835 174.090 -0.005 0.000 1.467 51 c CA 0.298 56.654 56.329 0.046 0.000 1.542 51 c CB -1.384 40.987 42.510 -0.232 0.000 2.482 51 c HN 1.508 nan 8.230 nan 0.000 0.610 52 A N 5.307 128.121 122.820 -0.009 0.000 2.536 52 A HA 0.441 4.878 4.320 0.196 0.000 0.234 52 A C 1.349 178.917 177.584 -0.026 0.000 1.076 52 A CA 0.591 52.623 52.037 -0.009 0.000 0.769 52 A CB 0.015 19.012 19.000 -0.005 0.000 1.020 52 A HN 1.762 nan 8.150 nan 0.000 0.508 53 A N 0.514 123.327 122.820 -0.013 0.000 1.897 53 A HA -0.036 4.401 4.320 0.196 0.000 0.215 53 A C 1.425 179.001 177.584 -0.013 0.000 1.181 53 A CA 1.721 53.750 52.037 -0.013 0.000 0.620 53 A CB -0.577 18.420 19.000 -0.005 0.000 0.821 53 A HN 0.906 nan 8.150 nan 0.000 0.443 54 D N -0.575 119.820 120.400 -0.009 0.000 2.363 54 D HA -0.041 4.717 4.640 0.196 0.000 0.226 54 D C 0.271 176.567 176.300 -0.007 0.000 1.020 54 D CA 0.623 54.620 54.000 -0.005 0.000 0.892 54 D CB -0.277 40.522 40.800 -0.001 0.000 0.900 54 D HN 0.284 nan 8.370 nan 0.000 0.531 55 D N -0.031 120.356 120.400 -0.022 0.000 2.349 55 D HA 0.163 4.920 4.640 0.196 0.000 0.214 55 D C 0.237 176.511 176.300 -0.043 0.000 1.063 55 D CA -0.133 53.846 54.000 -0.035 0.000 0.847 55 D CB 0.689 41.449 40.800 -0.067 0.000 0.933 55 D HN 0.346 nan 8.370 nan 0.000 0.513 56 I N 2.281 122.833 120.570 -0.029 0.000 2.287 56 I HA 0.097 4.384 4.170 0.196 0.000 0.290 56 I C 0.414 176.550 176.117 0.031 0.000 1.069 56 I CA -0.305 60.984 61.300 -0.019 0.000 1.237 56 I CB 0.572 38.555 38.000 -0.029 0.000 1.418 56 I HN -0.337 nan 8.210 nan 0.000 0.481 57 M N 5.044 124.697 119.600 0.088 0.000 2.241 57 M HA 0.208 4.806 4.480 0.196 0.000 0.335 57 M C -0.165 176.182 176.300 0.079 0.000 1.122 57 M CA 0.415 55.772 55.300 0.095 0.000 1.164 57 M CB 0.644 33.331 32.600 0.144 0.000 1.459 57 M HN 0.404 nan 8.290 nan 0.000 0.461 58 D N 2.207 122.635 120.400 0.046 0.000 3.443 58 D HA 0.284 5.042 4.640 0.196 0.000 0.243 58 D C -2.561 173.750 176.300 0.018 0.000 1.446 58 D CA -0.792 53.227 54.000 0.032 0.000 0.880 58 D CB 0.721 41.536 40.800 0.026 0.000 1.470 58 D HN 0.192 nan 8.370 nan 0.000 0.658 59 P HA 0.251 nan 4.420 nan 0.000 0.271 59 P C -0.552 176.754 177.300 0.011 0.000 1.233 59 P CA 0.188 63.292 63.100 0.007 0.000 0.764 59 P CB 0.980 32.681 31.700 0.001 0.000 0.825 60 T N 1.301 115.862 114.554 0.011 0.000 2.908 60 T HA 0.405 4.873 4.350 0.196 0.000 0.290 60 T C -0.127 174.589 174.700 0.026 0.000 1.034 60 T CA -0.647 61.462 62.100 0.016 0.000 1.010 60 T CB 1.143 70.017 68.868 0.010 0.000 1.068 60 T HN 0.092 nan 8.240 nan 0.000 0.481 61 S N 1.979 117.702 115.700 0.039 0.000 2.545 61 S HA 0.665 5.252 4.470 0.196 0.000 0.275 61 S C -0.189 174.446 174.600 0.057 0.000 1.299 61 S CA -0.743 57.495 58.200 0.063 0.000 1.048 61 S CB -0.080 63.161 63.200 0.069 0.000 0.938 61 S HN 0.594 nan 8.310 nan 0.000 0.496 62 L N -0.514 120.751 121.223 0.069 0.000 2.654 62 L HA 1.056 5.514 4.340 0.196 0.000 0.257 62 L C -0.930 175.990 176.870 0.084 0.000 1.093 62 L CA -1.339 53.533 54.840 0.052 0.000 0.903 62 L CB 1.162 43.214 42.059 -0.012 0.000 1.520 62 L HN 0.567 nan 8.230 nan 0.000 0.402 63 A N -0.281 122.578 122.820 0.065 0.000 2.386 63 A HA 0.739 5.177 4.320 0.196 0.000 0.311 63 A C -1.083 176.514 177.584 0.021 0.000 1.068 63 A CA -0.380 51.694 52.037 0.062 0.000 0.743 63 A CB 1.462 20.536 19.000 0.122 0.000 1.258 63 A HN 0.774 nan 8.150 nan 0.000 0.429 64 E N 1.696 121.903 120.200 0.012 0.000 2.092 64 E HA 0.381 4.849 4.350 0.196 0.000 0.271 64 E C -0.520 176.063 176.600 -0.027 0.000 0.919 64 E CA -0.375 56.028 56.400 0.004 0.000 0.760 64 E CB 0.676 30.416 29.700 0.068 0.000 1.106 64 E HN 0.612 nan 8.360 nan 0.000 0.408 65 T N 2.565 117.111 114.554 -0.014 0.000 3.281 65 T HA 0.208 4.675 4.350 0.196 0.000 0.359 65 T C 0.023 174.711 174.700 -0.021 0.000 1.459 65 T CA -0.922 61.171 62.100 -0.012 0.000 1.114 65 T CB 0.537 69.416 68.868 0.018 0.000 1.162 65 T HN 0.306 nan 8.240 nan 0.000 0.665 66 Q N 2.868 122.648 119.800 -0.034 0.000 2.513 66 Q HA 0.175 4.632 4.340 0.196 0.000 0.227 66 Q C 0.243 176.214 176.000 -0.049 0.000 1.257 66 Q CA 0.261 56.039 55.803 -0.042 0.000 0.915 66 Q CB 0.191 28.903 28.738 -0.043 0.000 1.507 66 Q HN 0.730 nan 8.270 nan 0.000 0.543 67 E N 1.346 121.517 120.200 -0.048 0.000 2.383 67 E HA 0.051 4.519 4.350 0.196 0.000 0.264 67 E C -0.428 176.115 176.600 -0.096 0.000 1.050 67 E CA -0.271 56.101 56.400 -0.047 0.000 0.896 67 E CB 0.771 30.453 29.700 -0.031 0.000 0.982 67 E HN 0.317 nan 8.360 nan 0.000 0.424 68 D N 0.582 120.937 120.400 -0.075 0.000 2.433 68 D HA 0.095 4.853 4.640 0.196 0.000 0.255 68 D C 0.786 177.003 176.300 -0.138 0.000 1.226 68 D CA -0.151 53.779 54.000 -0.116 0.000 1.015 68 D CB 0.426 41.232 40.800 0.009 0.000 1.091 68 D HN 0.419 nan 8.370 nan 0.000 0.527 69 H N -0.304 118.771 119.070 0.009 0.000 2.343 69 H HA 0.146 4.820 4.556 0.196 0.000 0.307 69 H C 0.482 175.816 175.328 0.010 0.000 1.045 69 H CA 0.664 56.717 56.048 0.009 0.000 1.281 69 H CB 0.044 29.811 29.762 0.008 0.000 1.425 69 H HN 0.195 nan 8.280 nan 0.000 0.540 70 N N -2.521 116.288 118.700 0.182 0.000 3.171 70 N HA 0.264 5.122 4.740 0.196 0.000 0.239 70 N C 0.217 175.774 175.510 0.078 0.000 1.275 70 N CA 0.563 53.671 53.050 0.095 0.000 0.920 70 N CB 1.345 39.873 38.487 0.068 0.000 1.554 70 N HN 0.612 nan 8.380 nan 0.000 0.504 71 G N 0.113 108.951 108.800 0.063 0.000 2.212 71 G HA2 -0.280 3.798 3.960 0.196 0.000 0.266 71 G HA3 -0.280 3.798 3.960 0.196 0.000 0.266 71 G C 1.076 176.012 174.900 0.060 0.000 0.978 71 G CA 1.329 46.464 45.100 0.058 0.000 0.632 71 G HN 1.065 nan 8.290 nan 0.000 0.537 72 G N -0.519 108.325 108.800 0.074 0.000 2.545 72 G HA2 0.186 4.264 3.960 0.196 0.000 0.217 72 G HA3 0.186 4.264 3.960 0.196 0.000 0.217 72 G C 0.729 175.665 174.900 0.059 0.000 1.218 72 G CA 1.704 46.848 45.100 0.073 0.000 0.787 72 G HN 0.684 nan 8.290 nan 0.000 0.571 73 Q N -2.060 117.776 119.800 0.060 0.000 2.544 73 Q HA 0.414 4.872 4.340 0.196 0.000 0.291 73 Q C 0.266 176.302 176.000 0.060 0.000 1.068 73 Q CA -0.847 54.992 55.803 0.060 0.000 0.785 73 Q CB 2.183 30.959 28.738 0.064 0.000 1.481 73 Q HN 0.094 nan 8.270 nan 0.000 0.430 74 K N 0.199 120.638 120.400 0.065 0.000 2.161 74 K HA 0.099 4.536 4.320 0.196 0.000 0.205 74 K C 0.730 177.333 176.600 0.005 0.000 1.035 74 K CA 0.679 57.001 56.287 0.059 0.000 0.970 74 K CB 0.483 33.053 32.500 0.116 0.000 0.866 74 K HN 0.345 nan 8.250 nan 0.000 0.461 75 Q N 0.067 119.851 119.800 -0.026 0.000 2.057 75 Q HA 0.298 4.756 4.340 0.196 0.000 0.216 75 Q C -0.649 175.346 176.000 -0.009 0.000 0.788 75 Q CA 0.070 55.765 55.803 -0.180 0.000 1.053 75 Q CB 1.327 29.742 28.738 -0.539 0.000 1.210 75 Q HN 0.169 nan 8.270 nan 0.000 0.455 76 L N 2.203 123.517 121.223 0.152 0.000 2.356 76 L HA 0.402 4.860 4.340 0.196 0.000 0.264 76 L C -0.370 176.595 176.870 0.159 0.000 1.029 76 L CA -0.356 54.637 54.840 0.254 0.000 0.897 76 L CB 1.069 43.270 42.059 0.236 0.000 1.256 76 L HN 0.008 nan 8.230 nan 0.000 0.444 77 S N 2.716 118.508 115.700 0.153 0.000 2.568 77 S HA 0.762 5.349 4.470 0.196 0.000 0.293 77 S C -2.787 171.898 174.600 0.143 0.000 1.089 77 S CA -1.589 56.680 58.200 0.114 0.000 0.945 77 S CB 2.216 65.460 63.200 0.074 0.000 1.077 77 S HN 0.152 nan 8.310 nan 0.000 0.485 78 P HA 0.300 nan 4.420 nan 0.000 0.274 78 P C -0.316 177.025 177.300 0.069 0.000 1.260 78 P CA -0.170 62.977 63.100 0.079 0.000 0.793 78 P CB 0.494 32.233 31.700 0.064 0.000 1.048 79 Q N -0.989 118.830 119.800 0.032 0.000 2.378 79 Q HA 0.161 4.619 4.340 0.196 0.000 0.216 79 Q C -0.066 175.926 176.000 -0.014 0.000 0.892 79 Q CA 1.035 56.852 55.803 0.023 0.000 0.931 79 Q CB 0.301 29.052 28.738 0.022 0.000 1.086 79 Q HN 0.419 nan 8.270 nan 0.000 0.528 80 K N 0.305 120.682 120.400 -0.039 0.000 2.687 80 K HA 0.423 4.861 4.320 0.196 0.000 0.249 80 K C -1.543 174.985 176.600 -0.121 0.000 0.994 80 K CA -0.339 55.899 56.287 -0.083 0.000 0.913 80 K CB 2.580 35.040 32.500 -0.066 0.000 1.202 80 K HN -0.237 nan 8.250 nan 0.000 0.460 81 V N 2.680 122.467 119.914 -0.212 0.000 2.294 81 V HA 0.175 4.413 4.120 0.196 0.000 0.272 81 V C -0.072 175.830 176.094 -0.320 0.000 1.027 81 V CA -0.505 61.600 62.300 -0.325 0.000 0.823 81 V CB 1.221 32.642 31.823 -0.669 0.000 1.030 81 V HN 0.683 nan 8.190 nan 0.000 0.457 82 T N 7.102 121.548 114.554 -0.179 0.000 3.162 82 T HA 0.419 4.887 4.350 0.196 0.000 0.316 82 T C -0.071 174.611 174.700 -0.029 0.000 1.182 82 T CA -0.322 61.704 62.100 -0.122 0.000 1.015 82 T CB -0.292 68.560 68.868 -0.027 0.000 1.089 82 T HN 0.499 nan 8.240 nan 0.000 0.646 83 L N 0.540 121.688 121.223 -0.124 0.000 2.395 83 L HA 0.597 5.054 4.340 0.196 0.000 0.269 83 L C -0.818 176.081 176.870 0.049 0.000 1.133 83 L CA -0.712 54.137 54.840 0.015 0.000 0.812 83 L CB -0.145 41.882 42.059 -0.054 0.000 1.125 83 L HN 0.251 nan 8.230 nan 0.000 0.452 84 Y N 3.653 123.935 120.300 -0.030 0.000 2.587 84 Y HA 0.553 5.221 4.550 0.196 0.000 0.328 84 Y C -0.444 175.456 175.900 -0.000 0.000 0.980 84 Y CA -0.907 57.183 58.100 -0.016 0.000 1.272 84 Y CB 1.274 39.724 38.460 -0.017 0.000 1.094 84 Y HN 0.561 nan 8.280 nan 0.000 0.503 85 L N 4.805 126.081 121.223 0.088 0.000 2.257 85 L HA 0.512 4.970 4.340 0.196 0.000 0.290 85 L C -0.028 176.870 176.870 0.046 0.000 1.044 85 L CA -0.734 54.147 54.840 0.069 0.000 0.810 85 L CB 0.722 42.813 42.059 0.053 0.000 1.193 85 L HN 0.570 nan 8.230 nan 0.000 0.425 86 R N 6.429 126.956 120.500 0.045 0.000 2.308 86 R HA 0.486 4.944 4.340 0.196 0.000 0.305 86 R C -2.366 173.939 176.300 0.008 0.000 1.053 86 R CA -1.670 54.443 56.100 0.022 0.000 0.957 86 R CB 0.861 31.173 30.300 0.019 0.000 1.022 86 R HN 0.452 nan 8.270 nan 0.000 0.461 87 P HA -0.007 nan 4.420 nan 0.000 0.264 87 P C 0.337 177.626 177.300 -0.019 0.000 1.183 87 P CA 1.208 64.299 63.100 -0.015 0.000 0.763 87 P CB 0.789 32.471 31.700 -0.030 0.000 0.807 88 G N 1.658 110.449 108.800 -0.014 0.000 2.320 88 G HA2 -0.295 3.782 3.960 0.196 0.000 0.242 88 G HA3 -0.295 3.782 3.960 0.196 0.000 0.242 88 G C 0.231 175.127 174.900 -0.007 0.000 1.033 88 G CA 0.012 45.101 45.100 -0.017 0.000 0.620 88 G HN 0.640 nan 8.290 nan 0.000 0.517 89 Q N 0.917 120.717 119.800 0.001 0.000 2.271 89 Q HA 0.689 5.147 4.340 0.196 0.000 0.258 89 Q C 0.164 176.176 176.000 0.021 0.000 0.936 89 Q CA 0.010 55.819 55.803 0.010 0.000 0.909 89 Q CB 1.291 30.037 28.738 0.013 0.000 1.253 89 Q HN 0.813 nan 8.270 nan 0.000 0.440 90 A N 2.447 125.280 122.820 0.022 0.000 2.331 90 A HA 0.693 5.131 4.320 0.196 0.000 0.283 90 A C -0.687 176.928 177.584 0.051 0.000 1.142 90 A CA -0.214 51.840 52.037 0.028 0.000 0.812 90 A CB 0.801 19.808 19.000 0.012 0.000 1.074 90 A HN 0.752 nan 8.150 nan 0.000 0.497 91 A N 1.710 124.581 122.820 0.084 0.000 2.276 91 A HA 0.713 5.150 4.320 0.196 0.000 0.316 91 A C 0.194 177.881 177.584 0.172 0.000 1.229 91 A CA 0.114 52.234 52.037 0.138 0.000 0.851 91 A CB 0.610 19.716 19.000 0.178 0.000 1.165 91 A HN 2.037 nan 8.150 nan 0.000 0.513 92 A N 2.351 125.262 122.820 0.151 0.000 2.318 92 A HA 0.821 5.258 4.320 0.196 0.000 0.317 92 A C -0.714 176.983 177.584 0.189 0.000 1.159 92 A CA -0.518 51.562 52.037 0.072 0.000 0.799 92 A CB 0.207 19.218 19.000 0.018 0.000 1.194 92 A HN 1.558 nan 8.150 nan 0.000 0.479 93 F N 0.908 120.881 119.950 0.038 0.000 2.561 93 F HA 0.640 5.284 4.527 0.196 0.000 0.313 93 F C -0.463 175.380 175.800 0.072 0.000 1.126 93 F CA -1.327 56.702 58.000 0.047 0.000 0.918 93 F CB 1.042 40.068 39.000 0.043 0.000 1.199 93 F HN 0.355 nan 8.300 nan 0.000 0.444 94 N N 1.191 119.977 118.700 0.144 0.000 2.445 94 N HA 0.593 5.451 4.740 0.196 0.000 0.264 94 N C -1.110 174.511 175.510 0.185 0.000 1.227 94 N CA -0.585 52.528 53.050 0.105 0.000 0.963 94 N CB 1.786 40.324 38.487 0.084 0.000 1.188 94 N HN 0.543 nan 8.380 nan 0.000 0.491 95 V N 0.686 120.720 119.914 0.199 0.000 2.445 95 V HA 0.226 4.463 4.120 0.196 0.000 0.283 95 V C -0.341 175.901 176.094 0.246 0.000 1.014 95 V CA -0.766 61.693 62.300 0.265 0.000 0.852 95 V CB 1.235 33.272 31.823 0.358 0.000 1.021 95 V HN 0.572 nan 8.190 nan 0.000 0.435 96 T N 5.777 120.443 114.554 0.187 0.000 2.761 96 T HA 0.474 4.942 4.350 0.196 0.000 0.296 96 T C -0.709 174.127 174.700 0.226 0.000 0.934 96 T CA 0.335 62.524 62.100 0.148 0.000 1.091 96 T CB 0.125 69.040 68.868 0.079 0.000 0.896 96 T HN 0.459 nan 8.240 nan 0.000 0.515 97 F N 4.281 124.265 119.950 0.057 0.000 2.553 97 F HA 0.475 5.120 4.527 0.196 0.000 0.335 97 F C 0.001 175.813 175.800 0.020 0.000 1.148 97 F CA -1.062 56.973 58.000 0.058 0.000 0.963 97 F CB 0.949 40.027 39.000 0.130 0.000 1.217 97 F HN 0.396 nan 8.300 nan 0.000 0.441 98 R N 6.833 127.060 120.500 -0.454 0.000 2.477 98 R HA 0.357 4.814 4.340 0.196 0.000 0.285 98 R C -0.133 175.877 176.300 -0.482 0.000 1.415 98 R CA -0.714 55.186 56.100 -0.334 0.000 1.446 98 R CB 0.455 30.658 30.300 -0.162 0.000 1.110 98 R HN 0.862 nan 8.270 nan 0.000 0.590 99 R N 1.583 121.719 120.500 -0.607 0.000 2.802 99 R HA -0.051 4.407 4.340 0.196 0.000 0.264 99 R C 0.044 176.245 176.300 -0.165 0.000 0.996 99 R CA 1.303 57.176 56.100 -0.379 0.000 1.123 99 R CB 0.692 30.962 30.300 -0.050 0.000 0.996 99 R HN 0.695 nan 8.270 nan 0.000 0.444 100 A N 2.406 125.170 122.820 -0.094 0.000 1.988 100 A HA 0.241 4.678 4.320 0.196 0.000 0.198 100 A C 0.399 177.929 177.584 -0.091 0.000 1.507 100 A CA 0.593 52.574 52.037 -0.094 0.000 0.901 100 A CB 0.391 19.330 19.000 -0.101 0.000 1.007 100 A HN 0.711 nan 8.150 nan 0.000 0.502 101 K N -3.491 116.849 120.400 -0.101 0.000 2.743 101 K HA 0.434 4.872 4.320 0.196 0.000 0.293 101 K C -1.295 175.210 176.600 -0.160 0.000 0.874 101 K CA -0.105 56.088 56.287 -0.157 0.000 0.675 101 K CB 0.292 32.645 32.500 -0.246 0.000 1.317 101 K HN 0.423 nan 8.250 nan 0.000 0.354 102 G N 0.635 109.299 108.800 -0.227 0.000 2.609 102 G HA2 0.598 4.676 3.960 0.196 0.000 0.308 102 G HA3 0.598 4.676 3.960 0.196 0.000 0.308 102 G C -1.601 173.186 174.900 -0.188 0.000 1.369 102 G CA -0.317 44.705 45.100 -0.130 0.000 0.958 102 G HN 0.290 nan 8.290 nan 0.000 0.499 103 Y N 1.505 121.868 120.300 0.106 0.000 2.418 103 Y HA 0.419 5.086 4.550 0.196 0.000 0.327 103 Y C -1.686 174.271 175.900 0.094 0.000 1.309 103 Y CA -2.110 56.047 58.100 0.094 0.000 1.423 103 Y CB 0.655 39.184 38.460 0.114 0.000 1.423 103 Y HN 0.297 nan 8.280 nan 0.000 0.532 104 P HA -0.007 nan 4.420 nan 0.000 0.258 104 P C -0.382 177.026 177.300 0.180 0.000 1.187 104 P CA 0.517 63.721 63.100 0.173 0.000 0.767 104 P CB 0.155 31.944 31.700 0.148 0.000 0.770 105 I N 2.758 123.424 120.570 0.160 0.000 2.886 105 I HA 0.268 4.556 4.170 0.196 0.000 0.299 105 I C 0.056 176.257 176.117 0.139 0.000 1.044 105 I CA 0.094 61.499 61.300 0.174 0.000 1.310 105 I CB 0.940 39.055 38.000 0.192 0.000 1.441 105 I HN 0.197 nan 8.210 nan 0.000 0.578 106 D N 5.650 126.145 120.400 0.159 0.000 2.445 106 D HA 0.288 5.046 4.640 0.196 0.000 0.236 106 D C -0.927 175.493 176.300 0.200 0.000 1.315 106 D CA -0.284 53.807 54.000 0.152 0.000 0.924 106 D CB 0.592 41.528 40.800 0.227 0.000 1.447 106 D HN 0.306 nan 8.370 nan 0.000 0.532 107 L N 1.683 122.983 121.223 0.128 0.000 2.456 107 L HA 0.462 4.920 4.340 0.196 0.000 0.257 107 L C -0.552 176.467 176.870 0.249 0.000 1.162 107 L CA -0.654 54.291 54.840 0.176 0.000 0.808 107 L CB 0.866 42.993 42.059 0.113 0.000 1.136 107 L HN 0.327 nan 8.230 nan 0.000 0.466 108 Y N 0.592 121.004 120.300 0.187 0.000 2.358 108 Y HA 0.226 4.891 4.550 0.192 0.000 0.324 108 Y C -1.314 174.735 175.900 0.248 0.000 1.123 108 Y CA -0.740 57.498 58.100 0.230 0.000 1.067 108 Y CB 1.210 39.856 38.460 0.310 0.000 1.230 108 Y HN 0.339 nan 8.280 nan 0.000 0.429 109 Y N 7.330 127.583 120.300 -0.078 0.000 2.594 109 Y HA 0.443 5.113 4.550 0.201 0.000 0.342 109 Y C -0.843 174.975 175.900 -0.137 0.000 1.010 109 Y CA -0.509 57.604 58.100 0.022 0.000 1.270 109 Y CB 0.398 38.984 38.460 0.210 0.000 1.125 109 Y HN 0.561 nan 8.280 nan 0.000 0.513 110 L N 7.928 129.128 121.223 -0.037 0.000 2.385 110 L HA 0.271 4.729 4.340 0.196 0.000 0.285 110 L C -0.072 176.780 176.870 -0.030 0.000 1.125 110 L CA 0.057 54.971 54.840 0.124 0.000 0.890 110 L CB 0.077 42.303 42.059 0.279 0.000 1.251 110 L HN 0.633 nan 8.230 nan 0.000 0.445 111 M N 2.911 122.418 119.600 -0.155 0.000 2.268 111 M HA 0.313 4.910 4.480 0.196 0.000 0.344 111 M C -0.627 175.226 176.300 -0.746 0.000 1.106 111 M CA -0.610 54.550 55.300 -0.235 0.000 1.010 111 M CB 1.721 34.482 32.600 0.268 0.000 1.649 111 M HN 0.276 nan 8.290 nan 0.000 0.443 112 D N 4.932 124.779 120.400 -0.920 0.000 2.339 112 D HA 0.211 4.968 4.640 0.196 0.000 0.256 112 D C -0.995 175.070 176.300 -0.392 0.000 1.214 112 D CA 0.065 53.441 54.000 -1.041 0.000 0.877 112 D CB 0.537 40.996 40.800 -0.568 0.000 1.111 112 D HN 0.657 nan 8.370 nan 0.000 0.478 113 L N 3.945 124.999 121.223 -0.281 0.000 2.352 113 L HA 0.277 4.735 4.340 0.196 0.000 0.272 113 L C 0.035 176.897 176.870 -0.013 0.000 1.109 113 L CA -0.329 54.495 54.840 -0.027 0.000 0.952 113 L CB 0.113 42.302 42.059 0.217 0.000 1.314 113 L HN 0.320 nan 8.230 nan 0.000 0.427 114 S N -0.084 115.616 115.700 0.000 0.000 2.806 114 S HA 0.264 4.852 4.470 0.196 0.000 0.315 114 S C 0.313 174.971 174.600 0.097 0.000 1.127 114 S CA -0.488 57.748 58.200 0.060 0.000 0.918 114 S CB 1.358 64.595 63.200 0.062 0.000 1.240 114 S HN 0.455 nan 8.310 nan 0.000 0.552 115 Y N 1.756 122.075 120.300 0.031 0.000 2.561 115 Y HA -0.027 4.636 4.550 0.189 0.000 0.291 115 Y C 2.347 178.265 175.900 0.030 0.000 1.141 115 Y CA 1.311 59.430 58.100 0.032 0.000 1.303 115 Y CB 0.021 38.500 38.460 0.033 0.000 1.015 115 Y HN 0.679 nan 8.280 nan 0.000 0.547 116 S N -1.279 114.510 115.700 0.148 0.000 2.496 116 S HA 0.007 4.595 4.470 0.196 0.000 0.224 116 S C 1.115 175.734 174.600 0.033 0.000 0.996 116 S CA 0.262 58.520 58.200 0.096 0.000 0.927 116 S CB -0.089 63.174 63.200 0.106 0.000 0.774 116 S HN 0.239 nan 8.310 nan 0.000 0.524 117 M N 1.582 121.186 119.600 0.008 0.000 3.007 117 M HA 0.419 5.017 4.480 0.196 0.000 0.288 117 M C 0.487 176.759 176.300 -0.046 0.000 1.246 117 M CA -0.104 55.192 55.300 -0.008 0.000 1.040 117 M CB -0.496 32.100 32.600 -0.007 0.000 1.254 117 M HN 0.323 nan 8.290 nan 0.000 0.517 118 L N 0.699 121.861 121.223 -0.100 0.000 2.062 118 L HA -0.142 4.316 4.340 0.196 0.000 0.202 118 L C 1.999 178.813 176.870 -0.093 0.000 1.079 118 L CA 1.305 56.053 54.840 -0.155 0.000 0.755 118 L CB -0.395 41.484 42.059 -0.300 0.000 0.913 118 L HN 0.372 nan 8.230 nan 0.000 0.445 119 D N -1.104 119.254 120.400 -0.070 0.000 2.351 119 D HA -0.189 4.569 4.640 0.196 0.000 0.216 119 D C 1.260 177.548 176.300 -0.020 0.000 0.968 119 D CA 0.874 54.850 54.000 -0.040 0.000 0.899 119 D CB -0.419 40.367 40.800 -0.023 0.000 0.907 119 D HN 0.254 nan 8.370 nan 0.000 0.514 120 D N 0.178 120.571 120.400 -0.011 0.000 2.137 120 D HA -0.014 4.744 4.640 0.196 0.000 0.202 120 D C 1.996 178.298 176.300 0.004 0.000 0.970 120 D CA 0.305 54.314 54.000 0.015 0.000 0.837 120 D CB -0.273 40.550 40.800 0.037 0.000 0.981 120 D HN 0.207 nan 8.370 nan 0.000 0.475 121 L N 0.392 121.604 121.223 -0.018 0.000 2.201 121 L HA -0.068 4.390 4.340 0.196 0.000 0.212 121 L C 2.326 179.157 176.870 -0.065 0.000 1.105 121 L CA 0.917 55.732 54.840 -0.042 0.000 0.775 121 L CB 0.112 42.141 42.059 -0.050 0.000 0.913 121 L HN -0.071 nan 8.230 nan 0.000 0.440 122 R N -0.061 120.405 120.500 -0.056 0.000 2.062 122 R HA -0.093 4.365 4.340 0.196 0.000 0.226 122 R C 1.339 177.609 176.300 -0.049 0.000 1.125 122 R CA 1.714 57.780 56.100 -0.057 0.000 0.966 122 R CB -0.163 30.106 30.300 -0.051 0.000 0.861 122 R HN 0.411 nan 8.270 nan 0.000 0.433 123 N N -0.607 118.073 118.700 -0.033 0.000 2.434 123 N HA 0.025 4.882 4.740 0.196 0.000 0.196 123 N C -0.035 175.458 175.510 -0.029 0.000 1.183 123 N CA -0.114 52.922 53.050 -0.023 0.000 0.849 123 N CB 1.087 39.570 38.487 -0.006 0.000 0.992 123 N HN 0.032 nan 8.380 nan 0.000 0.460 124 V N -0.247 119.636 119.914 -0.052 0.000 3.309 124 V HA -0.069 4.169 4.120 0.196 0.000 0.268 124 V C 1.678 177.686 176.094 -0.142 0.000 1.631 124 V CA -0.091 62.159 62.300 -0.083 0.000 1.018 124 V CB 0.336 32.124 31.823 -0.057 0.000 0.841 124 V HN 0.243 nan 8.190 nan 0.000 0.418 125 K N 1.850 122.168 120.400 -0.137 0.000 2.228 125 K HA -0.165 4.273 4.320 0.196 0.000 0.205 125 K C 0.654 177.133 176.600 -0.200 0.000 1.045 125 K CA 1.561 57.735 56.287 -0.188 0.000 0.931 125 K CB -0.084 32.324 32.500 -0.154 0.000 0.727 125 K HN 0.369 nan 8.250 nan 0.000 0.458 126 K N 0.549 120.864 120.400 -0.142 0.000 3.306 126 K HA 0.185 4.623 4.320 0.196 0.000 0.169 126 K C -1.512 175.042 176.600 -0.077 0.000 1.110 126 K CA -0.296 55.922 56.287 -0.114 0.000 0.783 126 K CB 1.009 33.448 32.500 -0.102 0.000 0.958 126 K HN -0.031 nan 8.250 nan 0.000 0.581 127 L N 0.549 121.726 121.223 -0.077 0.000 2.679 127 L HA 0.432 4.889 4.340 0.196 0.000 0.238 127 L C 0.479 177.325 176.870 -0.041 0.000 1.330 127 L CA 0.178 54.987 54.840 -0.050 0.000 0.935 127 L CB 0.718 42.751 42.059 -0.043 0.000 1.243 127 L HN 0.401 nan 8.230 nan 0.000 0.484 128 G N -0.335 108.449 108.800 -0.026 0.000 3.079 128 G HA2 0.138 4.216 3.960 0.196 0.000 0.233 128 G HA3 0.138 4.216 3.960 0.196 0.000 0.233 128 G C 1.014 175.899 174.900 -0.024 0.000 1.062 128 G CA 0.394 45.483 45.100 -0.019 0.000 0.809 128 G HN 0.600 nan 8.290 nan 0.000 0.535 129 G N 1.433 110.222 108.800 -0.019 0.000 2.511 129 G HA2 -0.035 4.043 3.960 0.196 0.000 0.217 129 G HA3 -0.035 4.043 3.960 0.196 0.000 0.217 129 G C 1.265 176.156 174.900 -0.015 0.000 1.133 129 G CA 1.257 46.346 45.100 -0.018 0.000 0.792 129 G HN 0.455 nan 8.290 nan 0.000 0.539 130 D N 0.102 120.495 120.400 -0.012 0.000 2.349 130 D HA 0.062 4.819 4.640 0.196 0.000 0.214 130 D C 2.097 178.398 176.300 0.002 0.000 1.063 130 D CA -0.158 53.840 54.000 -0.003 0.000 0.847 130 D CB -0.204 40.597 40.800 0.001 0.000 0.933 130 D HN 0.353 nan 8.370 nan 0.000 0.513 131 L N -0.446 120.774 121.223 -0.006 0.000 2.102 131 L HA 0.008 4.466 4.340 0.196 0.000 0.202 131 L C 2.090 178.957 176.870 -0.004 0.000 1.076 131 L CA 0.392 55.232 54.840 -0.000 0.000 0.761 131 L CB -0.264 41.782 42.059 -0.021 0.000 0.921 131 L HN -0.016 nan 8.230 nan 0.000 0.444 132 L N -0.177 121.031 121.223 -0.024 0.000 2.201 132 L HA -0.137 4.320 4.340 0.196 0.000 0.212 132 L C 2.629 179.493 176.870 -0.010 0.000 1.105 132 L CA 1.422 56.249 54.840 -0.023 0.000 0.775 132 L CB -0.695 41.343 42.059 -0.035 0.000 0.913 132 L HN 0.162 nan 8.230 nan 0.000 0.440 133 R N -0.288 120.207 120.500 -0.007 0.000 2.090 133 R HA -0.075 4.383 4.340 0.196 0.000 0.228 133 R C 2.056 178.358 176.300 0.002 0.000 1.110 133 R CA 1.173 57.270 56.100 -0.004 0.000 0.973 133 R CB -0.118 30.180 30.300 -0.003 0.000 0.869 133 R HN 0.322 nan 8.270 nan 0.000 0.440 134 A N 0.440 123.267 122.820 0.012 0.000 2.169 134 A HA -0.019 4.419 4.320 0.196 0.000 0.212 134 A C 1.701 179.301 177.584 0.026 0.000 1.153 134 A CA 0.424 52.476 52.037 0.025 0.000 0.756 134 A CB -0.051 18.976 19.000 0.044 0.000 0.813 134 A HN 0.372 nan 8.150 nan 0.000 0.471 135 L N -0.853 120.381 121.223 0.019 0.000 2.513 135 L HA 0.206 4.663 4.340 0.196 0.000 0.222 135 L C 1.549 178.414 176.870 -0.007 0.000 1.096 135 L CA 1.291 56.143 54.840 0.019 0.000 0.857 135 L CB -0.488 41.586 42.059 0.026 0.000 1.026 135 L HN 0.312 nan 8.230 nan 0.000 0.469 136 N N 0.393 119.086 118.700 -0.011 0.000 2.120 136 N HA -0.211 4.647 4.740 0.196 0.000 0.188 136 N C 1.530 177.022 175.510 -0.030 0.000 1.024 136 N CA 1.779 54.818 53.050 -0.018 0.000 0.852 136 N CB 0.146 38.625 38.487 -0.014 0.000 1.003 136 N HN 0.460 nan 8.380 nan 0.000 0.424 137 E N 0.331 120.509 120.200 -0.036 0.000 2.005 137 E HA -0.134 4.334 4.350 0.196 0.000 0.198 137 E C 1.990 178.548 176.600 -0.070 0.000 1.010 137 E CA 1.456 57.827 56.400 -0.048 0.000 0.825 137 E CB -0.287 29.384 29.700 -0.048 0.000 0.769 137 E HN 0.311 nan 8.360 nan 0.000 0.456 138 I N 0.458 120.964 120.570 -0.107 0.000 2.185 138 I HA -0.049 4.239 4.170 0.196 0.000 0.235 138 I C 1.123 177.172 176.117 -0.114 0.000 1.069 138 I CA 0.991 62.203 61.300 -0.148 0.000 1.354 138 I CB -1.702 36.130 38.000 -0.281 0.000 1.093 138 I HN 0.049 nan 8.210 nan 0.000 0.411 139 T N 2.081 116.576 114.554 -0.098 0.000 2.874 139 T HA 0.276 4.743 4.350 0.196 0.000 0.281 139 T C 0.680 175.368 174.700 -0.020 0.000 0.994 139 T CA -0.612 61.464 62.100 -0.040 0.000 1.015 139 T CB 1.771 70.648 68.868 0.015 0.000 1.028 139 T HN 0.369 nan 8.240 nan 0.000 0.523 140 E N 0.315 120.514 120.200 -0.002 0.000 3.432 140 E HA 0.283 4.751 4.350 0.196 0.000 0.385 140 E C 0.030 176.635 176.600 0.009 0.000 0.439 140 E CA -0.750 55.650 56.400 -0.000 0.000 2.317 140 E CB -0.163 29.537 29.700 0.000 0.000 2.175 140 E HN 0.496 nan 8.360 nan 0.000 0.450 141 S N 0.648 116.356 115.700 0.012 0.000 2.671 141 S HA 0.276 4.863 4.470 0.196 0.000 0.331 141 S C 0.422 175.034 174.600 0.021 0.000 1.182 141 S CA -0.451 57.755 58.200 0.010 0.000 1.276 141 S CB -0.270 62.937 63.200 0.011 0.000 1.360 141 S HN 0.589 nan 8.310 nan 0.000 0.563 142 G N 2.638 111.448 108.800 0.016 0.000 2.574 142 G HA2 0.657 4.735 3.960 0.196 0.000 0.248 142 G HA3 0.657 4.735 3.960 0.196 0.000 0.248 142 G C -0.221 174.677 174.900 -0.003 0.000 1.422 142 G CA -1.007 44.109 45.100 0.027 0.000 1.051 142 G HN 0.599 nan 8.290 nan 0.000 0.560 143 R N -1.516 118.975 120.500 -0.015 0.000 2.808 143 R HA 0.607 5.064 4.340 0.196 0.000 0.272 143 R C -1.661 174.563 176.300 -0.126 0.000 0.995 143 R CA -0.712 55.349 56.100 -0.064 0.000 0.917 143 R CB 1.772 32.043 30.300 -0.047 0.000 1.217 143 R HN 0.344 nan 8.270 nan 0.000 0.471 144 I N 0.020 120.448 120.570 -0.237 0.000 2.534 144 I HA 0.550 4.838 4.170 0.196 0.000 0.288 144 I C 0.192 176.034 176.117 -0.459 0.000 1.077 144 I CA -0.282 60.746 61.300 -0.453 0.000 1.051 144 I CB 2.386 39.905 38.000 -0.803 0.000 1.234 144 I HN 0.706 nan 8.210 nan 0.000 0.425 145 G N 4.094 112.763 108.800 -0.217 0.000 2.642 145 G HA2 0.772 4.850 3.960 0.196 0.000 0.293 145 G HA3 0.772 4.850 3.960 0.196 0.000 0.293 145 G C -2.092 172.847 174.900 0.066 0.000 1.341 145 G CA -0.590 44.569 45.100 0.098 0.000 0.916 145 G HN 0.327 nan 8.290 nan 0.000 0.474 146 F N 0.099 119.858 119.950 -0.319 0.000 2.588 146 F HA 0.763 5.409 4.527 0.199 0.000 0.310 146 F C -0.033 175.366 175.800 -0.668 0.000 1.082 146 F CA -0.519 57.174 58.000 -0.512 0.000 0.929 146 F CB 2.589 41.382 39.000 -0.345 0.000 1.254 146 F HN 0.801 nan 8.300 nan 0.000 0.455 147 G N 2.766 110.828 108.800 -1.229 0.000 2.741 147 G HA2 0.464 4.542 3.960 0.196 0.000 0.293 147 G HA3 0.464 4.542 3.960 0.196 0.000 0.293 147 G C -1.846 172.749 174.900 -0.507 0.000 1.457 147 G CA -0.647 44.237 45.100 -0.361 0.000 1.098 147 G HN 0.766 nan 8.290 nan 0.000 0.536 148 S N 0.678 116.240 115.700 -0.230 0.000 2.687 148 S HA 0.932 5.520 4.470 0.196 0.000 0.283 148 S C -0.669 174.192 174.600 0.434 0.000 1.170 148 S CA -0.573 57.673 58.200 0.078 0.000 1.008 148 S CB 0.668 64.062 63.200 0.324 0.000 1.026 148 S HN 1.410 nan 8.310 nan 0.000 0.541 149 F N 0.528 120.628 119.950 0.251 0.000 2.725 149 F HA 0.651 5.272 4.527 0.157 0.000 0.309 149 F C -0.838 174.849 175.800 -0.187 0.000 1.132 149 F CA -0.957 57.095 58.000 0.085 0.000 0.957 149 F CB 0.284 39.379 39.000 0.158 0.000 1.286 149 F HN 0.316 nan 8.300 nan 0.000 0.440 150 V N -0.385 119.416 119.914 -0.189 0.000 4.197 150 V HA 0.501 4.739 4.120 0.196 0.000 0.176 150 V C -1.047 175.070 176.094 0.039 0.000 1.208 150 V CA 0.669 62.829 62.300 -0.234 0.000 1.306 150 V CB 0.675 32.143 31.823 -0.593 0.000 1.585 150 V HN 0.896 nan 8.190 nan 0.000 0.552 151 D N -1.019 119.346 120.400 -0.058 0.000 2.798 151 D HA 0.196 4.954 4.640 0.196 0.000 0.265 151 D C -1.142 175.103 176.300 -0.091 0.000 1.223 151 D CA -0.600 53.406 54.000 0.010 0.000 0.743 151 D CB 1.683 42.552 40.800 0.115 0.000 1.276 151 D HN 0.157 nan 8.370 nan 0.000 0.421 152 K N 0.230 120.508 120.400 -0.204 0.000 2.591 152 K HA 0.002 4.440 4.320 0.196 0.000 0.280 152 K C 0.738 177.327 176.600 -0.019 0.000 0.964 152 K CA 0.745 56.895 56.287 -0.228 0.000 1.014 152 K CB 0.434 32.627 32.500 -0.512 0.000 0.877 152 K HN 0.401 nan 8.250 nan 0.000 0.502 153 T N 1.754 116.366 114.554 0.097 0.000 2.701 153 T HA -0.106 4.362 4.350 0.196 0.000 0.263 153 T C 0.887 175.644 174.700 0.096 0.000 1.040 153 T CA 0.747 62.933 62.100 0.142 0.000 1.147 153 T CB -0.007 68.970 68.868 0.182 0.000 0.865 153 T HN 0.453 nan 8.240 nan 0.000 0.426 154 V N 3.245 123.212 119.914 0.088 0.000 2.953 154 V HA 0.422 4.659 4.120 0.196 0.000 0.304 154 V C 0.222 176.422 176.094 0.177 0.000 1.073 154 V CA -1.186 61.175 62.300 0.100 0.000 1.064 154 V CB 0.403 32.282 31.823 0.093 0.000 1.047 154 V HN 0.392 nan 8.190 nan 0.000 0.478 155 L N 4.226 125.545 121.223 0.159 0.000 2.456 155 L HA 0.462 4.920 4.340 0.196 0.000 0.246 155 L C -1.925 175.096 176.870 0.251 0.000 1.238 155 L CA -0.673 54.274 54.840 0.179 0.000 0.826 155 L CB -1.323 40.792 42.059 0.093 0.000 1.150 155 L HN 0.376 nan 8.230 nan 0.000 0.514 156 P HA 0.087 nan 4.420 nan 0.000 0.253 156 P C 0.562 177.801 177.300 -0.103 0.000 1.281 156 P CA 0.728 63.807 63.100 -0.035 0.000 0.792 156 P CB -0.176 31.434 31.700 -0.151 0.000 1.193 157 F N -0.954 118.974 119.950 -0.037 0.000 2.456 157 F HA 0.093 4.709 4.527 0.148 0.000 0.298 157 F C 1.294 177.082 175.800 -0.020 0.000 1.104 157 F CA 0.631 58.594 58.000 -0.061 0.000 1.435 157 F CB 0.102 39.054 39.000 -0.081 0.000 1.078 157 F HN -0.191 nan 8.300 nan 0.000 0.546 158 V N 0.491 120.511 119.914 0.176 0.000 2.966 158 V HA 0.260 4.498 4.120 0.196 0.000 0.288 158 V C -1.571 174.570 176.094 0.077 0.000 1.380 158 V CA -1.461 60.900 62.300 0.103 0.000 0.966 158 V CB 1.332 33.216 31.823 0.101 0.000 1.115 158 V HN 0.282 nan 8.190 nan 0.000 0.436 159 N N 3.425 122.157 118.700 0.053 0.000 2.301 159 N HA 0.003 4.861 4.740 0.196 0.000 0.267 159 N C 0.948 176.476 175.510 0.029 0.000 1.304 159 N CA 0.791 53.868 53.050 0.045 0.000 0.851 159 N CB 0.942 39.453 38.487 0.041 0.000 1.070 159 N HN 0.902 nan 8.380 nan 0.000 0.483 160 T N -1.252 113.312 114.554 0.016 0.000 3.014 160 T HA 0.012 4.480 4.350 0.196 0.000 0.263 160 T C 0.042 174.592 174.700 -0.250 0.000 1.078 160 T CA 0.768 62.817 62.100 -0.084 0.000 1.135 160 T CB -0.400 68.435 68.868 -0.056 0.000 0.895 160 T HN 0.695 nan 8.240 nan 0.000 0.480 161 H N 0.582 119.678 119.070 0.043 0.000 2.928 161 H HA 0.518 5.193 4.556 0.198 0.000 0.371 161 H C -1.871 173.475 175.328 0.029 0.000 1.186 161 H CA -1.647 54.422 56.048 0.035 0.000 1.134 161 H CB 2.431 32.211 29.762 0.030 0.000 1.824 161 H HN 0.021 nan 8.280 nan 0.000 0.554 162 P HA 0.052 nan 4.420 nan 0.000 0.219 162 P C 0.336 177.710 177.300 0.124 0.000 1.149 162 P CA 0.220 63.452 63.100 0.220 0.000 0.755 162 P CB 0.537 32.326 31.700 0.149 0.000 1.201 163 D N -0.375 120.080 120.400 0.090 0.000 2.340 163 D HA -0.057 4.701 4.640 0.196 0.000 0.220 163 D C 1.515 177.845 176.300 0.050 0.000 1.039 163 D CA 0.311 54.350 54.000 0.066 0.000 0.866 163 D CB -0.241 40.592 40.800 0.056 0.000 0.913 163 D HN 0.245 nan 8.370 nan 0.000 0.523 164 K N 0.079 120.508 120.400 0.048 0.000 2.362 164 K HA -0.074 4.364 4.320 0.196 0.000 0.200 164 K C 1.832 178.458 176.600 0.043 0.000 1.046 164 K CA 0.319 56.630 56.287 0.040 0.000 0.952 164 K CB -0.142 32.378 32.500 0.034 0.000 0.753 164 K HN 0.110 nan 8.250 nan 0.000 0.466 165 L N 1.240 122.489 121.223 0.043 0.000 2.056 165 L HA -0.059 4.399 4.340 0.196 0.000 0.207 165 L C 1.893 178.790 176.870 0.046 0.000 1.078 165 L CA 1.550 56.411 54.840 0.035 0.000 0.749 165 L CB -0.197 41.862 42.059 -0.001 0.000 0.901 165 L HN 0.079 nan 8.230 nan 0.000 0.433 166 R N -0.593 119.934 120.500 0.045 0.000 2.235 166 R HA -0.007 4.450 4.340 0.196 0.000 0.213 166 R C 0.232 176.560 176.300 0.047 0.000 1.059 166 R CA 0.829 56.955 56.100 0.045 0.000 0.997 166 R CB -0.220 30.104 30.300 0.041 0.000 0.884 166 R HN 0.300 nan 8.270 nan 0.000 0.462 167 N N -0.452 118.277 118.700 0.048 0.000 2.716 167 N HA 0.140 4.998 4.740 0.196 0.000 0.245 167 N C -2.472 173.067 175.510 0.048 0.000 1.495 167 N CA -1.658 51.421 53.050 0.048 0.000 0.759 167 N CB 1.244 39.754 38.487 0.039 0.000 1.261 167 N HN -0.216 nan 8.380 nan 0.000 0.515 168 P HA 0.083 nan 4.420 nan 0.000 0.221 168 P C 0.130 177.455 177.300 0.042 0.000 1.150 168 P CA 0.344 63.476 63.100 0.055 0.000 0.800 168 P CB 0.134 31.882 31.700 0.080 0.000 0.787 169 c N 2.436 121.078 118.600 0.071 0.000 2.409 169 c HA 0.015 4.702 4.570 0.196 0.000 0.398 169 c C -1.907 172.161 174.090 -0.036 0.000 1.507 169 c CA -0.473 55.906 56.329 0.083 0.000 1.460 169 c CB -1.152 41.444 42.510 0.143 0.000 2.472 169 c HN 0.231 nan 8.230 nan 0.000 0.614 170 P HA 0.176 nan 4.420 nan 0.000 0.274 170 P C 0.500 177.659 177.300 -0.235 0.000 1.291 170 P CA 0.877 63.802 63.100 -0.291 0.000 0.815 170 P CB 0.451 31.848 31.700 -0.505 0.000 0.897 171 N N 3.502 122.144 118.700 -0.096 0.000 2.366 171 N HA -0.228 4.630 4.740 0.196 0.000 0.211 171 N C 0.847 176.363 175.510 0.010 0.000 1.174 171 N CA 2.311 55.336 53.050 -0.043 0.000 2.731 171 N CB -1.276 37.178 38.487 -0.055 0.000 0.831 171 N HN 0.274 nan 8.380 nan 0.000 0.452 172 K N 0.632 121.062 120.400 0.050 0.000 2.128 172 K HA 0.127 4.565 4.320 0.196 0.000 0.202 172 K C -0.254 176.396 176.600 0.083 0.000 1.050 172 K CA 0.786 57.133 56.287 0.099 0.000 0.966 172 K CB 0.001 32.617 32.500 0.192 0.000 0.759 172 K HN 0.409 nan 8.250 nan 0.000 0.454 173 E N 1.221 121.478 120.200 0.095 0.000 2.210 173 E HA -0.201 4.267 4.350 0.196 0.000 0.201 173 E C -0.524 176.116 176.600 0.067 0.000 1.339 173 E CA 0.510 56.955 56.400 0.075 0.000 0.699 173 E CB -1.204 28.523 29.700 0.045 0.000 1.126 173 E HN 0.429 nan 8.360 nan 0.000 0.355 174 K N 0.764 121.212 120.400 0.082 0.000 3.100 174 K HA 0.192 4.630 4.320 0.196 0.000 0.256 174 K C 0.095 176.717 176.600 0.037 0.000 1.146 174 K CA -0.087 56.230 56.287 0.050 0.000 1.233 174 K CB 0.469 32.994 32.500 0.043 0.000 1.226 174 K HN 0.141 nan 8.250 nan 0.000 0.442 175 E N 0.209 120.433 120.200 0.039 0.000 2.340 175 E HA -0.210 4.258 4.350 0.196 0.000 0.240 175 E C -0.376 176.243 176.600 0.031 0.000 1.154 175 E CA 0.557 56.974 56.400 0.028 0.000 0.717 175 E CB -2.329 27.378 29.700 0.012 0.000 1.250 175 E HN 0.746 nan 8.360 nan 0.000 0.386 176 c N 0.332 118.965 118.600 0.056 0.000 2.657 176 c HA 0.511 5.199 4.570 0.196 0.000 0.404 176 c C 1.218 175.346 174.090 0.065 0.000 1.291 176 c CA -0.083 56.287 56.329 0.068 0.000 2.218 176 c CB 0.521 43.100 42.510 0.116 0.000 2.687 176 c HN 0.577 nan 8.230 nan 0.000 0.634 177 Q N 2.286 122.122 119.800 0.060 0.000 2.454 177 Q HA 0.451 4.908 4.340 0.196 0.000 0.247 177 Q C -2.491 173.576 176.000 0.112 0.000 1.028 177 Q CA -1.043 54.785 55.803 0.042 0.000 0.910 177 Q CB -0.347 28.366 28.738 -0.041 0.000 1.276 177 Q HN 0.562 nan 8.270 nan 0.000 0.489 178 P HA 0.092 nan 4.420 nan 0.000 0.267 178 P C -2.443 175.020 177.300 0.272 0.000 1.200 178 P CA -0.936 62.246 63.100 0.137 0.000 0.772 178 P CB -0.365 31.388 31.700 0.088 0.000 0.855 179 P HA 0.006 nan 4.420 nan 0.000 0.261 179 P C -0.684 176.844 177.300 0.380 0.000 1.183 179 P CA 0.819 64.074 63.100 0.259 0.000 0.761 179 P CB -0.180 31.607 31.700 0.144 0.000 0.785 180 F N 1.354 121.418 119.950 0.191 0.000 3.117 180 F HA 0.896 5.554 4.527 0.218 0.000 0.345 180 F C 0.560 176.520 175.800 0.267 0.000 1.278 180 F CA -0.813 57.392 58.000 0.341 0.000 1.035 180 F CB 0.394 39.584 39.000 0.316 0.000 1.531 180 F HN 0.185 nan 8.300 nan 0.000 0.515 181 A N -0.769 122.132 122.820 0.134 0.000 1.792 181 A HA 0.445 4.883 4.320 0.196 0.000 0.189 181 A C -0.953 176.653 177.584 0.037 0.000 1.926 181 A CA 0.267 52.097 52.037 -0.345 0.000 1.493 181 A CB 0.218 18.652 19.000 -0.944 0.000 1.554 181 A HN 0.898 nan 8.150 nan 0.000 0.340 182 F N 0.561 120.592 119.950 0.134 0.000 2.839 182 F HA 0.609 5.251 4.527 0.191 0.000 0.344 182 F C -0.944 175.155 175.800 0.498 0.000 1.242 182 F CA -0.421 57.778 58.000 0.332 0.000 1.091 182 F CB 1.178 40.246 39.000 0.113 0.000 1.374 182 F HN 0.075 nan 8.300 nan 0.000 0.553 183 R N 4.243 124.679 120.500 -0.107 0.000 2.412 183 R HA 0.254 4.712 4.340 0.196 0.000 0.304 183 R C -1.290 174.794 176.300 -0.361 0.000 1.066 183 R CA -0.863 55.115 56.100 -0.203 0.000 0.923 183 R CB 0.482 30.672 30.300 -0.182 0.000 1.156 183 R HN 0.795 nan 8.270 nan 0.000 0.513 184 H N 4.108 122.874 119.070 -0.506 0.000 3.362 184 H HA 0.047 4.719 4.556 0.194 0.000 0.248 184 H C 0.676 175.964 175.328 -0.067 0.000 1.276 184 H CA 0.111 56.016 56.048 -0.238 0.000 1.520 184 H CB 0.353 30.076 29.762 -0.066 0.000 1.624 184 H HN 0.412 nan 8.280 nan 0.000 0.502 185 V N 4.650 124.427 119.914 -0.227 0.000 2.407 185 V HA -0.067 4.171 4.120 0.196 0.000 0.245 185 V C 0.925 176.854 176.094 -0.276 0.000 1.041 185 V CA 1.019 63.213 62.300 -0.176 0.000 1.040 185 V CB -0.200 31.581 31.823 -0.069 0.000 0.671 185 V HN 0.539 nan 8.190 nan 0.000 0.455 186 L N 0.154 121.142 121.223 -0.392 0.000 2.385 186 L HA 0.451 4.909 4.340 0.196 0.000 0.273 186 L C -0.263 176.453 176.870 -0.256 0.000 0.990 186 L CA -0.285 54.389 54.840 -0.276 0.000 0.821 186 L CB 2.258 44.133 42.059 -0.308 0.000 1.279 186 L HN 0.025 nan 8.230 nan 0.000 0.412 187 K N 2.463 122.877 120.400 0.023 0.000 2.090 187 K HA 0.517 4.955 4.320 0.196 0.000 0.250 187 K C -0.572 176.109 176.600 0.135 0.000 1.004 187 K CA -0.703 55.724 56.287 0.234 0.000 0.919 187 K CB 0.893 33.542 32.500 0.249 0.000 1.045 187 K HN 0.495 nan 8.250 nan 0.000 0.471 188 L N 3.514 124.766 121.223 0.048 0.000 2.597 188 L HA 0.076 4.534 4.340 0.196 0.000 0.271 188 L C 0.258 177.117 176.870 -0.018 0.000 1.157 188 L CA 0.021 54.832 54.840 -0.049 0.000 0.928 188 L CB -0.381 41.569 42.059 -0.182 0.000 1.216 188 L HN 0.775 nan 8.230 nan 0.000 0.481 189 T N -1.659 112.883 114.554 -0.020 0.000 2.901 189 T HA 0.370 4.838 4.350 0.196 0.000 0.293 189 T C 0.639 175.314 174.700 -0.041 0.000 1.084 189 T CA -0.970 61.126 62.100 -0.005 0.000 1.008 189 T CB 1.881 70.775 68.868 0.043 0.000 1.170 189 T HN 0.293 nan 8.240 nan 0.000 0.509 190 N N 1.390 120.077 118.700 -0.022 0.000 2.173 190 N HA -0.009 4.849 4.740 0.196 0.000 0.184 190 N C 0.642 176.131 175.510 -0.035 0.000 1.025 190 N CA 0.835 53.868 53.050 -0.029 0.000 0.852 190 N CB -0.839 37.641 38.487 -0.012 0.000 0.998 190 N HN 0.844 nan 8.380 nan 0.000 0.427 191 N N 0.653 119.345 118.700 -0.013 0.000 2.305 191 N HA -0.061 4.796 4.740 0.196 0.000 0.232 191 N C 0.778 176.281 175.510 -0.012 0.000 1.274 191 N CA 0.596 53.643 53.050 -0.004 0.000 0.870 191 N CB 0.365 38.861 38.487 0.015 0.000 1.105 191 N HN 0.169 nan 8.380 nan 0.000 0.436 192 S N -0.936 114.762 115.700 -0.003 0.000 2.830 192 S HA -0.023 4.565 4.470 0.196 0.000 0.249 192 S C 1.248 175.878 174.600 0.051 0.000 1.084 192 S CA 0.014 58.212 58.200 -0.002 0.000 0.852 192 S CB -0.479 62.701 63.200 -0.033 0.000 0.802 192 S HN 0.692 nan 8.310 nan 0.000 0.481 193 N N 2.223 120.937 118.700 0.023 0.000 2.270 193 N HA -0.132 4.726 4.740 0.196 0.000 0.181 193 N C 1.716 177.231 175.510 0.009 0.000 1.016 193 N CA 1.618 54.674 53.050 0.010 0.000 0.870 193 N CB -0.731 37.752 38.487 -0.008 0.000 0.979 193 N HN 0.499 nan 8.380 nan 0.000 0.431 194 Q N 0.066 119.879 119.800 0.022 0.000 2.224 194 Q HA -0.001 4.457 4.340 0.196 0.000 0.203 194 Q C 1.672 177.675 176.000 0.004 0.000 0.970 194 Q CA 0.904 56.709 55.803 0.004 0.000 0.865 194 Q CB -0.586 28.160 28.738 0.014 0.000 0.922 194 Q HN 0.422 nan 8.270 nan 0.000 0.445 195 F N 0.465 120.354 119.950 -0.102 0.000 2.128 195 F HA -0.110 4.534 4.527 0.195 0.000 0.295 195 F C 1.981 177.673 175.800 -0.181 0.000 1.100 195 F CA 1.654 59.574 58.000 -0.134 0.000 1.260 195 F CB -0.052 38.879 39.000 -0.115 0.000 1.009 195 F HN 0.145 nan 8.300 nan 0.000 0.476 196 Q N -0.561 119.235 119.800 -0.007 0.000 2.050 196 Q HA -0.194 4.263 4.340 0.196 0.000 0.202 196 Q C 2.217 178.087 176.000 -0.218 0.000 0.980 196 Q CA 2.461 58.190 55.803 -0.123 0.000 0.840 196 Q CB -0.687 28.020 28.738 -0.052 0.000 0.898 196 Q HN 0.546 nan 8.270 nan 0.000 0.424 197 T N -1.033 113.424 114.554 -0.163 0.000 2.915 197 T HA -0.079 4.389 4.350 0.196 0.000 0.269 197 T C 1.562 176.134 174.700 -0.213 0.000 1.071 197 T CA 0.803 62.806 62.100 -0.161 0.000 1.132 197 T CB 0.017 68.820 68.868 -0.109 0.000 0.878 197 T HN 0.073 nan 8.240 nan 0.000 0.479 198 E N 0.553 120.588 120.200 -0.274 0.000 2.427 198 E HA 0.091 4.559 4.350 0.196 0.000 0.196 198 E C 2.064 178.413 176.600 -0.418 0.000 1.028 198 E CA 0.203 56.417 56.400 -0.310 0.000 0.864 198 E CB 0.142 29.652 29.700 -0.317 0.000 0.813 198 E HN 0.463 nan 8.360 nan 0.000 0.514 199 V N -0.147 119.459 119.914 -0.514 0.000 2.403 199 V HA -0.027 4.211 4.120 0.196 0.000 0.239 199 V C 2.354 178.196 176.094 -0.419 0.000 1.041 199 V CA 1.582 63.497 62.300 -0.642 0.000 1.051 199 V CB -0.818 30.509 31.823 -0.826 0.000 0.704 199 V HN 0.273 nan 8.190 nan 0.000 0.472 200 G N 0.394 109.003 108.800 -0.319 0.000 2.507 200 G HA2 -0.392 3.686 3.960 0.196 0.000 0.221 200 G HA3 -0.392 3.686 3.960 0.196 0.000 0.221 200 G C 1.538 176.327 174.900 -0.185 0.000 1.119 200 G CA 1.563 46.531 45.100 -0.220 0.000 0.751 200 G HN 0.523 nan 8.290 nan 0.000 0.574 201 K N 0.369 120.652 120.400 -0.196 0.000 2.001 201 K HA -0.194 4.244 4.320 0.196 0.000 0.223 201 K C 1.082 177.596 176.600 -0.144 0.000 1.055 201 K CA 1.232 57.424 56.287 -0.158 0.000 0.965 201 K CB -0.334 32.065 32.500 -0.168 0.000 0.730 201 K HN 0.422 nan 8.250 nan 0.000 0.449 202 Q N 1.064 120.763 119.800 -0.168 0.000 2.364 202 Q HA 0.167 4.624 4.340 0.196 0.000 0.267 202 Q C -0.229 175.709 176.000 -0.104 0.000 0.999 202 Q CA -0.155 55.563 55.803 -0.141 0.000 0.886 202 Q CB 0.946 29.584 28.738 -0.166 0.000 1.243 202 Q HN 0.288 nan 8.270 nan 0.000 0.415 203 L N 2.158 123.342 121.223 -0.066 0.000 2.347 203 L HA 0.506 4.964 4.340 0.196 0.000 0.268 203 L C 0.633 177.518 176.870 0.026 0.000 1.019 203 L CA -1.052 53.769 54.840 -0.031 0.000 0.806 203 L CB 0.706 42.752 42.059 -0.021 0.000 1.339 203 L HN 0.629 nan 8.230 nan 0.000 0.463 204 I N -2.585 118.010 120.570 0.043 0.000 3.363 204 I HA 0.267 4.554 4.170 0.196 0.000 0.234 204 I C 0.561 176.788 176.117 0.182 0.000 1.263 204 I CA 0.079 61.443 61.300 0.107 0.000 0.921 204 I CB 0.660 38.689 38.000 0.048 0.000 1.614 204 I HN 0.573 nan 8.210 nan 0.000 0.879 205 S N -0.973 114.857 115.700 0.217 0.000 4.297 205 S HA 0.856 5.444 4.470 0.196 0.000 0.226 205 S C -0.424 174.283 174.600 0.178 0.000 1.134 205 S CA -0.176 58.160 58.200 0.227 0.000 1.591 205 S CB 0.772 64.169 63.200 0.329 0.000 1.393 205 S HN 1.412 nan 8.310 nan 0.000 0.727 206 G N 1.325 110.201 108.800 0.126 0.000 2.361 206 G HA2 0.436 4.514 3.960 0.196 0.000 0.299 206 G HA3 0.436 4.514 3.960 0.196 0.000 0.299 206 G C -2.020 172.923 174.900 0.071 0.000 1.544 206 G CA -0.137 45.025 45.100 0.103 0.000 0.860 206 G HN 1.083 nan 8.290 nan 0.000 0.610 207 N N -1.014 117.727 118.700 0.067 0.000 2.972 207 N HA 0.624 5.481 4.740 0.196 0.000 0.262 207 N C 0.386 175.933 175.510 0.061 0.000 1.478 207 N CA -0.956 52.136 53.050 0.070 0.000 0.841 207 N CB 0.859 39.397 38.487 0.085 0.000 1.512 207 N HN 0.385 nan 8.380 nan 0.000 0.548 208 L N -0.751 120.508 121.223 0.060 0.000 2.121 208 L HA 0.148 4.606 4.340 0.196 0.000 0.200 208 L C 0.098 176.984 176.870 0.027 0.000 1.132 208 L CA 0.421 55.280 54.840 0.033 0.000 0.782 208 L CB -0.658 41.411 42.059 0.018 0.000 0.940 208 L HN 0.757 nan 8.230 nan 0.000 0.458 209 D N 0.959 121.363 120.400 0.006 0.000 2.548 209 D HA -0.080 4.677 4.640 0.196 0.000 0.231 209 D C 0.739 177.082 176.300 0.072 0.000 1.142 209 D CA 0.690 54.687 54.000 -0.005 0.000 0.866 209 D CB 1.230 41.968 40.800 -0.103 0.000 1.190 209 D HN 0.279 nan 8.370 nan 0.000 0.469 210 A N 3.112 125.970 122.820 0.064 0.000 1.832 210 A HA 0.067 4.504 4.320 0.196 0.000 0.214 210 A C -1.325 176.344 177.584 0.142 0.000 1.200 210 A CA 0.659 52.746 52.037 0.082 0.000 0.610 210 A CB -1.581 17.444 19.000 0.042 0.000 0.842 210 A HN 0.578 nan 8.150 nan 0.000 0.444 211 P HA 0.182 nan 4.420 nan 0.000 0.270 211 P C -0.103 177.442 177.300 0.407 0.000 1.223 211 P CA 0.021 63.241 63.100 0.200 0.000 0.785 211 P CB 0.397 32.042 31.700 -0.092 0.000 0.923 212 E N 0.086 120.555 120.200 0.448 0.000 2.267 212 E HA 0.407 4.875 4.350 0.196 0.000 0.258 212 E C 0.777 177.735 176.600 0.596 0.000 1.074 212 E CA -0.575 56.115 56.400 0.483 0.000 0.915 212 E CB 0.550 30.556 29.700 0.509 0.000 1.186 212 E HN 0.520 nan 8.360 nan 0.000 0.439 213 G N -0.372 108.707 108.800 0.465 0.000 4.486 213 G HA2 0.267 4.344 3.960 0.196 0.000 0.306 213 G HA3 0.267 4.344 3.960 0.196 0.000 0.306 213 G C 0.842 175.957 174.900 0.357 0.000 1.331 213 G CA 0.050 45.448 45.100 0.497 0.000 1.113 213 G HN 0.461 nan 8.290 nan 0.000 0.594 214 G N 0.495 109.519 108.800 0.374 0.000 2.509 214 G HA2 -0.117 3.961 3.960 0.196 0.000 0.218 214 G HA3 -0.117 3.961 3.960 0.196 0.000 0.218 214 G C 1.576 176.461 174.900 -0.024 0.000 1.124 214 G CA 0.289 45.385 45.100 -0.006 0.000 0.776 214 G HN 0.472 nan 8.290 nan 0.000 0.547 215 L N 0.241 121.562 121.223 0.163 0.000 2.093 215 L HA -0.066 4.392 4.340 0.196 0.000 0.208 215 L C 2.523 179.414 176.870 0.035 0.000 1.085 215 L CA 1.207 56.115 54.840 0.114 0.000 0.755 215 L CB -0.297 41.932 42.059 0.285 0.000 0.904 215 L HN 0.147 nan 8.230 nan 0.000 0.435 216 D N 0.361 120.768 120.400 0.013 0.000 2.144 216 D HA -0.166 4.592 4.640 0.196 0.000 0.199 216 D C 2.107 178.276 176.300 -0.218 0.000 0.984 216 D CA 1.366 55.303 54.000 -0.105 0.000 0.834 216 D CB 0.303 40.927 40.800 -0.294 0.000 0.955 216 D HN 0.263 nan 8.370 nan 0.000 0.465 217 A N 0.487 123.160 122.820 -0.245 0.000 1.930 217 A HA -0.145 4.293 4.320 0.196 0.000 0.217 217 A C 2.207 179.531 177.584 -0.434 0.000 1.175 217 A CA 1.376 53.178 52.037 -0.393 0.000 0.627 217 A CB -0.411 18.498 19.000 -0.151 0.000 0.815 217 A HN 0.175 nan 8.150 nan 0.000 0.443 218 M N -0.795 118.654 119.600 -0.252 0.000 2.082 218 M HA -0.190 4.408 4.480 0.196 0.000 0.258 218 M C 2.305 178.455 176.300 -0.249 0.000 1.071 218 M CA 1.624 56.801 55.300 -0.204 0.000 1.103 218 M CB -1.372 31.141 32.600 -0.146 0.000 1.307 218 M HN 0.340 nan 8.290 nan 0.000 0.409 219 M N 0.100 119.573 119.600 -0.213 0.000 2.065 219 M HA -0.218 4.380 4.480 0.196 0.000 0.259 219 M C 2.171 178.295 176.300 -0.295 0.000 1.071 219 M CA 1.790 56.969 55.300 -0.201 0.000 1.109 219 M CB -1.534 31.004 32.600 -0.102 0.000 1.313 219 M HN 0.393 nan 8.290 nan 0.000 0.408 220 Q N -0.484 119.071 119.800 -0.408 0.000 2.217 220 Q HA -0.170 4.288 4.340 0.196 0.000 0.209 220 Q C 2.154 177.875 176.000 -0.465 0.000 0.988 220 Q CA 1.453 56.959 55.803 -0.495 0.000 0.878 220 Q CB -0.382 27.945 28.738 -0.684 0.000 0.909 220 Q HN 0.352 nan 8.270 nan 0.000 0.424 221 V N 0.715 120.322 119.914 -0.511 0.000 2.221 221 V HA -0.176 4.061 4.120 0.196 0.000 0.242 221 V C 1.316 177.320 176.094 -0.149 0.000 1.041 221 V CA 1.662 63.821 62.300 -0.235 0.000 0.995 221 V CB -0.562 31.128 31.823 -0.222 0.000 0.635 221 V HN 0.344 nan 8.190 nan 0.000 0.448 222 A N -1.008 121.656 122.820 -0.260 0.000 3.135 222 A HA 0.671 5.108 4.320 0.196 0.000 0.253 222 A C 1.003 178.428 177.584 -0.265 0.000 1.638 222 A CA 0.681 52.510 52.037 -0.346 0.000 1.295 222 A CB -0.317 18.416 19.000 -0.445 0.000 1.106 222 A HN 0.537 nan 8.150 nan 0.000 0.648 223 A N -0.602 122.093 122.820 -0.208 0.000 1.933 223 A HA 0.342 4.779 4.320 0.196 0.000 0.198 223 A C 0.920 178.409 177.584 -0.158 0.000 1.617 223 A CA 1.039 52.961 52.037 -0.191 0.000 1.039 223 A CB -0.042 18.823 19.000 -0.225 0.000 1.066 223 A HN 1.454 nan 8.150 nan 0.000 0.484 224 c N -2.562 115.964 118.600 -0.124 0.000 3.452 224 c HA 0.587 5.275 4.570 0.196 0.000 0.251 224 c C -2.622 171.462 174.090 -0.011 0.000 1.160 224 c CA -1.589 54.692 56.329 -0.081 0.000 1.328 224 c CB 0.135 42.574 42.510 -0.117 0.000 1.819 224 c HN 0.192 nan 8.230 nan 0.000 0.543 225 P HA -0.013 nan 4.420 nan 0.000 0.244 225 P C 1.250 178.597 177.300 0.079 0.000 1.211 225 P CA 1.179 64.371 63.100 0.153 0.000 0.760 225 P CB 0.016 31.883 31.700 0.280 0.000 0.961 226 E N -0.085 120.134 120.200 0.033 0.000 2.472 226 E HA -0.131 4.337 4.350 0.196 0.000 0.200 226 E C 0.955 177.566 176.600 0.018 0.000 1.046 226 E CA 0.790 57.204 56.400 0.023 0.000 0.871 226 E CB -0.015 29.691 29.700 0.010 0.000 0.806 226 E HN 0.506 nan 8.360 nan 0.000 0.533 227 E N -1.047 119.158 120.200 0.009 0.000 2.603 227 E HA 0.160 4.628 4.350 0.196 0.000 0.224 227 E C 1.402 177.975 176.600 -0.045 0.000 0.896 227 E CA -0.026 56.371 56.400 -0.005 0.000 1.224 227 E CB 0.744 30.440 29.700 -0.006 0.000 1.206 227 E HN 0.110 nan 8.360 nan 0.000 0.576 228 I N 0.292 120.833 120.570 -0.048 0.000 3.883 228 I HA 0.222 4.510 4.170 0.196 0.000 0.305 228 I C 0.808 176.890 176.117 -0.057 0.000 1.247 228 I CA 0.380 61.587 61.300 -0.156 0.000 1.350 228 I CB 0.845 38.764 38.000 -0.135 0.000 1.194 228 I HN 0.098 nan 8.210 nan 0.000 0.441 229 G N 1.132 109.962 108.800 0.050 0.000 2.850 229 G HA2 -0.231 3.846 3.960 0.196 0.000 0.686 229 G HA3 -0.231 3.846 3.960 0.196 0.000 0.686 229 G C -1.364 173.515 174.900 -0.036 0.000 1.164 229 G CA -0.723 44.405 45.100 0.047 0.000 0.826 229 G HN 0.220 nan 8.290 nan 0.000 0.586 230 W N 1.300 122.617 121.300 0.028 0.000 3.372 230 W HA 0.645 5.421 4.660 0.193 0.000 0.315 230 W C 0.167 176.701 176.519 0.025 0.000 1.223 230 W CA -1.127 56.235 57.345 0.029 0.000 1.202 230 W CB 1.630 31.087 29.460 -0.005 0.000 1.367 230 W HN 0.829 nan 8.180 nan 0.000 0.531 231 R N 1.653 122.327 120.500 0.290 0.000 2.694 231 R HA 0.084 4.541 4.340 0.196 0.000 0.268 231 R C 0.762 177.170 176.300 0.180 0.000 1.061 231 R CA 0.435 56.648 56.100 0.188 0.000 1.133 231 R CB 0.359 30.754 30.300 0.158 0.000 1.020 231 R HN 0.420 nan 8.270 nan 0.000 0.475 232 N N 1.598 120.364 118.700 0.111 0.000 2.313 232 N HA 0.069 4.926 4.740 0.196 0.000 0.207 232 N C -0.247 175.291 175.510 0.047 0.000 1.141 232 N CA 0.112 53.205 53.050 0.070 0.000 0.830 232 N CB 0.395 38.913 38.487 0.050 0.000 1.008 232 N HN 0.365 nan 8.380 nan 0.000 0.481 233 V N -1.865 118.091 119.914 0.070 0.000 3.949 233 V HA 0.308 4.546 4.120 0.196 0.000 0.195 233 V C 0.556 176.679 176.094 0.048 0.000 1.114 233 V CA 0.264 62.590 62.300 0.043 0.000 1.384 233 V CB 0.107 31.980 31.823 0.084 0.000 1.685 233 V HN 0.067 nan 8.190 nan 0.000 0.492 234 T N 1.696 116.315 114.554 0.108 0.000 2.925 234 T HA 0.675 5.143 4.350 0.196 0.000 0.285 234 T C -0.610 174.188 174.700 0.163 0.000 1.021 234 T CA -0.408 61.757 62.100 0.108 0.000 1.042 234 T CB 1.259 70.222 68.868 0.157 0.000 1.037 234 T HN 0.310 nan 8.240 nan 0.000 0.481 235 R N 1.782 122.349 120.500 0.112 0.000 2.810 235 R HA 0.346 4.804 4.340 0.196 0.000 0.280 235 R C -1.794 174.561 176.300 0.092 0.000 1.517 235 R CA -0.710 55.517 56.100 0.210 0.000 1.063 235 R CB 0.679 30.948 30.300 -0.052 0.000 1.275 235 R HN 0.260 nan 8.270 nan 0.000 0.464 236 L N 3.308 124.627 121.223 0.160 0.000 2.307 236 L HA 0.509 4.967 4.340 0.196 0.000 0.284 236 L C -0.490 176.473 176.870 0.154 0.000 1.023 236 L CA -0.562 54.318 54.840 0.066 0.000 0.810 236 L CB 1.334 43.394 42.059 0.001 0.000 1.231 236 L HN 0.344 nan 8.230 nan 0.000 0.423 237 L N 2.929 124.195 121.223 0.072 0.000 2.304 237 L HA 0.779 5.237 4.340 0.196 0.000 0.268 237 L C -0.677 176.204 176.870 0.018 0.000 1.010 237 L CA -0.684 54.231 54.840 0.125 0.000 0.813 237 L CB 2.139 44.253 42.059 0.092 0.000 1.315 237 L HN 0.292 nan 8.230 nan 0.000 0.445 238 V N 1.287 121.217 119.914 0.028 0.000 2.577 238 V HA 0.434 4.671 4.120 0.196 0.000 0.294 238 V C -1.344 174.703 176.094 -0.078 0.000 1.052 238 V CA -0.474 61.785 62.300 -0.069 0.000 0.891 238 V CB 1.227 32.998 31.823 -0.087 0.000 1.017 238 V HN 0.494 nan 8.190 nan 0.000 0.436 239 F N 5.897 125.716 119.950 -0.218 0.000 2.412 239 F HA 0.780 5.395 4.527 0.147 0.000 0.348 239 F C 0.502 176.235 175.800 -0.110 0.000 1.102 239 F CA 0.519 58.438 58.000 -0.137 0.000 1.196 239 F CB 1.478 40.370 39.000 -0.180 0.000 1.144 239 F HN 0.771 nan 8.300 nan 0.000 0.541 240 A N 3.933 126.497 122.820 -0.427 0.000 2.414 240 A HA 0.622 5.060 4.320 0.196 0.000 0.286 240 A C -0.810 176.637 177.584 -0.229 0.000 1.073 240 A CA -0.354 51.535 52.037 -0.246 0.000 0.727 240 A CB 1.356 20.188 19.000 -0.280 0.000 1.215 240 A HN 0.728 nan 8.150 nan 0.000 0.430 241 T N 1.200 115.740 114.554 -0.024 0.000 3.289 241 T HA 0.400 4.868 4.350 0.196 0.000 0.370 241 T C -1.691 173.121 174.700 0.187 0.000 1.546 241 T CA -0.050 62.094 62.100 0.074 0.000 1.144 241 T CB 0.934 69.915 68.868 0.189 0.000 1.379 241 T HN 0.771 nan 8.240 nan 0.000 0.478 242 D N 2.831 123.320 120.400 0.148 0.000 2.881 242 D HA 0.376 5.134 4.640 0.196 0.000 0.240 242 D C -0.111 176.298 176.300 0.181 0.000 1.249 242 D CA -0.173 53.922 54.000 0.159 0.000 0.839 242 D CB 0.130 40.997 40.800 0.112 0.000 1.042 242 D HN 0.414 nan 8.370 nan 0.000 0.475 243 D N -1.345 119.208 120.400 0.254 0.000 2.665 243 D HA 0.405 5.163 4.640 0.196 0.000 0.287 243 D C 0.646 177.161 176.300 0.357 0.000 1.266 243 D CA -0.824 53.330 54.000 0.256 0.000 0.830 243 D CB 1.293 42.236 40.800 0.239 0.000 1.356 243 D HN 0.141 nan 8.370 nan 0.000 0.437 244 G N -0.538 108.437 108.800 0.291 0.000 2.481 244 G HA2 0.492 4.569 3.960 0.196 0.000 0.251 244 G HA3 0.492 4.569 3.960 0.196 0.000 0.251 244 G C -0.683 174.562 174.900 0.575 0.000 1.492 244 G CA 0.003 45.305 45.100 0.336 0.000 1.060 244 G HN 0.422 nan 8.290 nan 0.000 0.553 245 F N -2.993 117.008 119.950 0.083 0.000 2.639 245 F HA 0.542 5.161 4.527 0.153 0.000 0.326 245 F C -1.295 174.470 175.800 -0.059 0.000 1.150 245 F CA -1.633 56.467 58.000 0.167 0.000 1.057 245 F CB 0.306 39.438 39.000 0.220 0.000 1.300 245 F HN 0.422 nan 8.300 nan 0.000 0.486 246 H N 3.481 122.515 119.070 -0.059 0.000 2.473 246 H HA 0.703 5.345 4.556 0.144 0.000 0.327 246 H C -0.561 174.574 175.328 -0.322 0.000 1.105 246 H CA -0.256 55.498 56.048 -0.489 0.000 1.280 246 H CB 1.226 30.659 29.762 -0.548 0.000 1.450 246 H HN 0.590 nan 8.280 nan 0.000 0.492 247 F N -0.090 119.782 119.950 -0.129 0.000 2.661 247 F HA 0.789 5.450 4.527 0.223 0.000 0.347 247 F C 0.359 176.148 175.800 -0.018 0.000 1.086 247 F CA -1.892 56.111 58.000 0.004 0.000 1.016 247 F CB 0.092 39.091 39.000 -0.000 0.000 1.368 247 F HN 0.538 nan 8.300 nan 0.000 0.505 248 A N 0.099 123.121 122.820 0.336 0.000 2.583 248 A HA 0.389 4.827 4.320 0.196 0.000 0.231 248 A C 1.430 179.105 177.584 0.153 0.000 1.065 248 A CA 1.099 53.254 52.037 0.198 0.000 0.760 248 A CB -1.224 17.854 19.000 0.129 0.000 1.001 248 A HN 2.230 nan 8.150 nan 0.000 0.509 249 G N 0.704 109.553 108.800 0.082 0.000 2.317 249 G HA2 -0.264 3.814 3.960 0.196 0.000 0.227 249 G HA3 -0.264 3.814 3.960 0.196 0.000 0.227 249 G C 0.585 175.495 174.900 0.017 0.000 1.042 249 G CA 0.856 45.986 45.100 0.051 0.000 0.623 249 G HN 0.692 nan 8.290 nan 0.000 0.509 250 D N 1.118 121.499 120.400 -0.032 0.000 2.269 250 D HA 0.135 4.893 4.640 0.196 0.000 0.208 250 D C 2.378 178.758 176.300 0.134 0.000 0.963 250 D CA 1.434 55.415 54.000 -0.032 0.000 0.864 250 D CB -0.812 39.903 40.800 -0.141 0.000 0.936 250 D HN 0.580 nan 8.370 nan 0.000 0.505 251 G N 0.788 109.690 108.800 0.171 0.000 2.443 251 G HA2 -0.286 3.792 3.960 0.196 0.000 0.219 251 G HA3 -0.286 3.792 3.960 0.196 0.000 0.219 251 G C 1.488 176.476 174.900 0.147 0.000 1.131 251 G CA 0.459 45.698 45.100 0.232 0.000 0.775 251 G HN 0.267 nan 8.290 nan 0.000 0.547 252 K N -0.002 120.451 120.400 0.088 0.000 2.281 252 K HA 0.040 4.478 4.320 0.196 0.000 0.203 252 K C 2.260 178.896 176.600 0.060 0.000 1.046 252 K CA 0.518 56.839 56.287 0.056 0.000 0.938 252 K CB -0.193 32.324 32.500 0.030 0.000 0.737 252 K HN 0.361 nan 8.250 nan 0.000 0.458 253 L N -0.659 120.610 121.223 0.077 0.000 2.056 253 L HA -0.056 4.402 4.340 0.196 0.000 0.207 253 L C 2.078 179.005 176.870 0.095 0.000 1.078 253 L CA 1.212 56.084 54.840 0.052 0.000 0.749 253 L CB -0.297 41.757 42.059 -0.009 0.000 0.901 253 L HN 0.258 nan 8.230 nan 0.000 0.433 254 G N -1.201 107.703 108.800 0.174 0.000 3.379 254 G HA2 0.321 4.399 3.960 0.196 0.000 0.253 254 G HA3 0.321 4.399 3.960 0.196 0.000 0.253 254 G C 0.944 175.909 174.900 0.108 0.000 1.262 254 G CA 0.308 45.509 45.100 0.169 0.000 0.959 254 G HN 0.411 nan 8.290 nan 0.000 0.524 255 A N -0.265 122.603 122.820 0.080 0.000 2.822 255 A HA -0.198 4.240 4.320 0.196 0.000 0.287 255 A C 0.509 178.126 177.584 0.054 0.000 1.479 255 A CA 1.190 53.262 52.037 0.058 0.000 0.779 255 A CB -2.480 16.552 19.000 0.053 0.000 1.022 255 A HN 1.404 nan 8.150 nan 0.000 0.532 256 I N -4.036 116.569 120.570 0.058 0.000 2.439 256 I HA 0.678 4.966 4.170 0.196 0.000 0.283 256 I C 0.052 176.182 176.117 0.022 0.000 1.023 256 I CA -1.059 60.266 61.300 0.042 0.000 1.100 256 I CB 1.452 39.479 38.000 0.045 0.000 1.238 256 I HN -0.083 nan 8.210 nan 0.000 0.445 257 L N 5.134 126.364 121.223 0.012 0.000 3.017 257 L HA 0.239 4.697 4.340 0.196 0.000 0.255 257 L C 0.729 177.590 176.870 -0.015 0.000 1.247 257 L CA 0.200 55.039 54.840 -0.000 0.000 1.038 257 L CB 0.367 42.429 42.059 0.006 0.000 1.380 257 L HN 0.747 nan 8.230 nan 0.000 0.548 258 T N -1.417 113.121 114.554 -0.025 0.000 2.762 258 T HA 0.488 4.956 4.350 0.196 0.000 0.303 258 T C -2.374 172.262 174.700 -0.105 0.000 0.977 258 T CA -1.862 60.219 62.100 -0.031 0.000 0.961 258 T CB 0.804 69.678 68.868 0.009 0.000 0.944 258 T HN -0.128 nan 8.240 nan 0.000 0.481 259 P HA 0.077 nan 4.420 nan 0.000 0.274 259 P C -0.098 177.069 177.300 -0.221 0.000 1.264 259 P CA -0.589 62.424 63.100 -0.146 0.000 0.795 259 P CB 0.563 32.225 31.700 -0.064 0.000 1.064 260 N N 1.062 119.623 118.700 -0.231 0.000 2.470 260 N HA -0.028 4.830 4.740 0.196 0.000 0.268 260 N C 0.790 176.396 175.510 0.161 0.000 1.136 260 N CA -0.002 52.994 53.050 -0.091 0.000 0.961 260 N CB 0.327 38.796 38.487 -0.030 0.000 1.067 260 N HN 0.343 nan 8.380 nan 0.000 0.468 261 D N 3.097 123.706 120.400 0.348 0.000 2.149 261 D HA 0.028 4.786 4.640 0.196 0.000 0.206 261 D C 1.117 177.506 176.300 0.148 0.000 0.967 261 D CA 1.424 55.549 54.000 0.208 0.000 0.848 261 D CB -0.141 40.793 40.800 0.224 0.000 0.998 261 D HN 0.729 nan 8.370 nan 0.000 0.474 262 G N 0.106 108.996 108.800 0.150 0.000 2.336 262 G HA2 -0.178 3.900 3.960 0.196 0.000 0.194 262 G HA3 -0.178 3.900 3.960 0.196 0.000 0.194 262 G C 0.280 175.155 174.900 -0.043 0.000 0.999 262 G CA -0.220 44.910 45.100 0.052 0.000 0.669 262 G HN 0.400 nan 8.290 nan 0.000 0.482 263 R N 0.573 121.036 120.500 -0.061 0.000 2.532 263 R HA 0.594 5.051 4.340 0.196 0.000 0.295 263 R C 0.678 176.679 176.300 -0.499 0.000 0.968 263 R CA -0.047 55.911 56.100 -0.237 0.000 0.916 263 R CB 1.591 31.775 30.300 -0.192 0.000 1.124 263 R HN 0.577 nan 8.270 nan 0.000 0.463 264 c N 1.519 119.803 118.600 -0.527 0.000 2.466 264 c HA 0.473 5.161 4.570 0.196 0.000 0.379 264 c C -0.058 173.623 174.090 -0.682 0.000 1.251 264 c CA -0.702 55.335 56.329 -0.487 0.000 2.263 264 c CB 0.296 42.637 42.510 -0.281 0.000 2.511 264 c HN 0.777 nan 8.230 nan 0.000 0.573 265 H N 4.172 123.194 119.070 -0.079 0.000 2.607 265 H HA 0.409 5.082 4.556 0.195 0.000 0.248 265 H C -0.600 174.724 175.328 -0.007 0.000 1.355 265 H CA -0.158 55.867 56.048 -0.038 0.000 1.524 265 H CB 0.682 30.416 29.762 -0.047 0.000 1.563 265 H HN 0.779 nan 8.280 nan 0.000 0.509 266 L N -1.240 120.032 121.223 0.082 0.000 2.334 266 L HA 0.541 4.998 4.340 0.196 0.000 0.270 266 L C 1.048 177.957 176.870 0.065 0.000 1.018 266 L CA -0.373 54.520 54.840 0.089 0.000 0.811 266 L CB 1.683 43.817 42.059 0.126 0.000 1.271 266 L HN 0.165 nan 8.230 nan 0.000 0.443 267 E N 0.370 120.599 120.200 0.049 0.000 2.508 267 E HA 0.033 4.501 4.350 0.196 0.000 0.217 267 E C -0.676 175.940 176.600 0.028 0.000 0.896 267 E CA 0.563 56.983 56.400 0.034 0.000 1.118 267 E CB 0.635 30.348 29.700 0.021 0.000 1.133 267 E HN 0.965 nan 8.360 nan 0.000 0.526 268 D N 0.121 120.540 120.400 0.031 0.000 2.997 268 D HA 0.110 4.868 4.640 0.196 0.000 0.362 268 D C -0.330 175.994 176.300 0.041 0.000 1.298 268 D CA -0.591 53.424 54.000 0.025 0.000 0.756 268 D CB -0.809 39.993 40.800 0.004 0.000 1.216 268 D HN -0.166 nan 8.370 nan 0.000 0.496 269 N N 0.334 119.075 118.700 0.068 0.000 2.696 269 N HA -0.223 4.635 4.740 0.196 0.000 0.249 269 N C -0.614 174.955 175.510 0.097 0.000 1.090 269 N CA 0.723 53.834 53.050 0.103 0.000 0.716 269 N CB -0.937 37.625 38.487 0.126 0.000 1.020 269 N HN 0.696 nan 8.380 nan 0.000 0.548 270 L N 0.199 121.491 121.223 0.115 0.000 2.543 270 L HA 0.328 4.786 4.340 0.196 0.000 0.265 270 L C -0.254 176.717 176.870 0.168 0.000 0.945 270 L CA -1.177 53.752 54.840 0.149 0.000 0.869 270 L CB 1.053 43.135 42.059 0.039 0.000 1.294 270 L HN 0.160 nan 8.230 nan 0.000 0.405 271 Y N 3.338 123.765 120.300 0.212 0.000 2.712 271 Y HA 0.247 4.922 4.550 0.208 0.000 0.333 271 Y C -0.145 175.812 175.900 0.095 0.000 1.225 271 Y CA 0.036 58.229 58.100 0.155 0.000 1.499 271 Y CB 0.460 39.026 38.460 0.176 0.000 1.288 271 Y HN 0.551 nan 8.280 nan 0.000 0.575 272 K N 4.074 124.425 120.400 -0.082 0.000 2.895 272 K HA 0.240 4.677 4.320 0.196 0.000 0.200 272 K C 0.241 176.842 176.600 0.003 0.000 1.133 272 K CA -0.271 55.922 56.287 -0.156 0.000 1.060 272 K CB 0.573 32.996 32.500 -0.129 0.000 0.735 272 K HN 0.664 nan 8.250 nan 0.000 0.451 273 R N -0.511 120.043 120.500 0.091 0.000 2.412 273 R HA 0.043 4.501 4.340 0.196 0.000 0.212 273 R C 1.944 178.308 176.300 0.107 0.000 0.878 273 R CA 0.697 56.834 56.100 0.061 0.000 1.022 273 R CB 0.045 30.337 30.300 -0.012 0.000 1.265 273 R HN 0.165 nan 8.270 nan 0.000 0.620 274 S N 1.543 117.349 115.700 0.177 0.000 2.440 274 S HA -0.135 4.453 4.470 0.196 0.000 0.240 274 S C 1.355 176.069 174.600 0.190 0.000 1.014 274 S CA 1.308 59.613 58.200 0.175 0.000 0.980 274 S CB -0.190 63.037 63.200 0.046 0.000 0.775 274 S HN 0.170 nan 8.310 nan 0.000 0.499 275 N N 2.032 120.842 118.700 0.183 0.000 2.207 275 N HA 0.012 4.870 4.740 0.196 0.000 0.182 275 N C 0.527 176.107 175.510 0.117 0.000 1.020 275 N CA 1.207 54.331 53.050 0.123 0.000 0.858 275 N CB -0.431 38.120 38.487 0.107 0.000 0.991 275 N HN 0.591 nan 8.380 nan 0.000 0.427 276 E N -0.154 120.127 120.200 0.135 0.000 2.320 276 E HA 0.236 4.704 4.350 0.196 0.000 0.234 276 E C -0.969 175.756 176.600 0.208 0.000 1.290 276 E CA -0.196 56.280 56.400 0.127 0.000 1.545 276 E CB -0.471 29.284 29.700 0.092 0.000 1.379 276 E HN 0.232 nan 8.360 nan 0.000 0.437 277 F N -0.185 119.762 119.950 -0.005 0.000 2.669 277 F HA 0.309 4.950 4.527 0.190 0.000 0.315 277 F C -1.669 174.100 175.800 -0.051 0.000 1.109 277 F CA -1.207 56.782 58.000 -0.020 0.000 1.028 277 F CB 1.448 40.436 39.000 -0.020 0.000 1.287 277 F HN -0.169 nan 8.300 nan 0.000 0.452 278 D N 2.685 122.564 120.400 -0.868 0.000 2.340 278 D HA 0.290 5.048 4.640 0.196 0.000 0.251 278 D C -1.006 174.794 176.300 -0.832 0.000 1.080 278 D CA 0.104 53.756 54.000 -0.580 0.000 0.971 278 D CB 0.852 41.472 40.800 -0.299 0.000 1.137 278 D HN 0.466 nan 8.370 nan 0.000 0.475 279 Y N 0.773 120.865 120.300 -0.347 0.000 2.497 279 Y HA 0.193 4.866 4.550 0.204 0.000 0.334 279 Y C -1.462 174.365 175.900 -0.122 0.000 1.199 279 Y CA -1.375 56.631 58.100 -0.157 0.000 1.425 279 Y CB 0.400 38.848 38.460 -0.021 0.000 1.291 279 Y HN 0.256 nan 8.280 nan 0.000 0.562 280 P HA -0.015 nan 4.420 nan 0.000 0.267 280 P C -0.566 176.824 177.300 0.149 0.000 1.209 280 P CA -0.195 62.975 63.100 0.117 0.000 0.763 280 P CB 0.502 32.278 31.700 0.127 0.000 0.816 281 S N 2.275 118.028 115.700 0.089 0.000 2.572 281 S HA -0.028 4.560 4.470 0.196 0.000 0.267 281 S C 1.413 176.049 174.600 0.059 0.000 1.361 281 S CA -0.297 57.950 58.200 0.079 0.000 1.009 281 S CB 0.319 63.530 63.200 0.018 0.000 0.888 281 S HN 0.303 nan 8.310 nan 0.000 0.553 282 V N 2.386 122.297 119.914 -0.006 0.000 2.332 282 V HA 0.025 4.263 4.120 0.196 0.000 0.248 282 V C 2.032 178.103 176.094 -0.039 0.000 1.055 282 V CA 2.539 64.809 62.300 -0.051 0.000 1.038 282 V CB -1.333 30.355 31.823 -0.226 0.000 0.651 282 V HN 1.075 nan 8.190 nan 0.000 0.450 283 G N -1.469 107.300 108.800 -0.052 0.000 2.985 283 G HA2 -0.075 4.003 3.960 0.196 0.000 0.209 283 G HA3 -0.075 4.003 3.960 0.196 0.000 0.209 283 G C 1.233 176.118 174.900 -0.025 0.000 1.165 283 G CA 0.494 45.565 45.100 -0.048 0.000 0.776 283 G HN 0.603 nan 8.290 nan 0.000 0.541 284 Q N -0.299 119.497 119.800 -0.007 0.000 2.444 284 Q HA 0.277 4.735 4.340 0.196 0.000 0.206 284 Q C 1.654 177.666 176.000 0.020 0.000 0.948 284 Q CA 0.154 55.966 55.803 0.014 0.000 0.946 284 Q CB -0.017 28.735 28.738 0.023 0.000 1.027 284 Q HN 0.495 nan 8.270 nan 0.000 0.513 285 L N -1.372 119.848 121.223 -0.006 0.000 2.435 285 L HA 0.284 4.742 4.340 0.196 0.000 0.195 285 L C 2.248 179.081 176.870 -0.060 0.000 1.072 285 L CA 0.609 55.423 54.840 -0.044 0.000 0.833 285 L CB -0.568 41.456 42.059 -0.058 0.000 1.081 285 L HN 0.149 nan 8.230 nan 0.000 0.485 286 A N -0.614 122.174 122.820 -0.053 0.000 2.148 286 A HA -0.278 4.160 4.320 0.196 0.000 0.222 286 A C 2.088 179.634 177.584 -0.064 0.000 1.161 286 A CA 1.900 53.889 52.037 -0.080 0.000 0.662 286 A CB -0.945 18.008 19.000 -0.079 0.000 0.799 286 A HN 0.565 nan 8.150 nan 0.000 0.466 287 H N -1.055 117.942 119.070 -0.121 0.000 2.283 287 H HA 0.022 4.695 4.556 0.195 0.000 0.320 287 H C 2.164 177.420 175.328 -0.119 0.000 1.074 287 H CA 1.498 57.477 56.048 -0.116 0.000 1.476 287 H CB -0.023 29.683 29.762 -0.094 0.000 1.465 287 H HN 0.335 nan 8.280 nan 0.000 0.573 288 K N 1.093 121.416 120.400 -0.128 0.000 2.009 288 K HA -0.137 4.301 4.320 0.196 0.000 0.210 288 K C 2.439 178.896 176.600 -0.237 0.000 1.049 288 K CA 1.562 57.730 56.287 -0.198 0.000 0.929 288 K CB -0.949 31.511 32.500 -0.066 0.000 0.714 288 K HN 0.242 nan 8.250 nan 0.000 0.440 289 L N 0.582 121.688 121.223 -0.196 0.000 1.971 289 L HA -0.122 4.336 4.340 0.196 0.000 0.215 289 L C 2.106 178.825 176.870 -0.251 0.000 1.072 289 L CA 2.558 57.261 54.840 -0.227 0.000 0.758 289 L CB -1.184 40.760 42.059 -0.193 0.000 0.889 289 L HN 0.270 nan 8.230 nan 0.000 0.433 290 A N -1.513 121.166 122.820 -0.235 0.000 2.172 290 A HA -0.188 4.250 4.320 0.196 0.000 0.216 290 A C 2.247 179.681 177.584 -0.249 0.000 1.154 290 A CA 1.376 53.270 52.037 -0.238 0.000 0.701 290 A CB -0.702 18.162 19.000 -0.228 0.000 0.789 290 A HN 0.684 nan 8.150 nan 0.000 0.465 291 E N 0.105 120.131 120.200 -0.290 0.000 2.170 291 E HA -0.108 4.359 4.350 0.196 0.000 0.191 291 E C 0.499 176.958 176.600 -0.235 0.000 0.981 291 E CA 0.803 57.033 56.400 -0.283 0.000 0.830 291 E CB -0.025 29.454 29.700 -0.370 0.000 0.775 291 E HN 0.509 nan 8.360 nan 0.000 0.470 292 N N 1.275 119.817 118.700 -0.263 0.000 2.313 292 N HA 0.042 4.900 4.740 0.196 0.000 0.207 292 N C -0.857 174.480 175.510 -0.288 0.000 1.141 292 N CA 0.225 53.108 53.050 -0.277 0.000 0.830 292 N CB 0.019 38.296 38.487 -0.351 0.000 1.008 292 N HN 0.221 nan 8.380 nan 0.000 0.481 293 N N 0.083 118.632 118.700 -0.251 0.000 2.740 293 N HA -0.182 4.676 4.740 0.196 0.000 0.248 293 N C -1.088 174.260 175.510 -0.270 0.000 1.062 293 N CA 0.310 53.214 53.050 -0.243 0.000 0.704 293 N CB -1.144 37.224 38.487 -0.198 0.000 0.968 293 N HN 0.347 nan 8.380 nan 0.000 0.547 294 I N 0.490 120.881 120.570 -0.299 0.000 2.530 294 I HA 0.332 4.620 4.170 0.196 0.000 0.297 294 I C -0.274 175.699 176.117 -0.239 0.000 1.011 294 I CA -0.631 60.489 61.300 -0.301 0.000 1.107 294 I CB 1.734 39.485 38.000 -0.416 0.000 1.285 294 I HN -0.004 nan 8.210 nan 0.000 0.436 295 Q N 5.862 125.543 119.800 -0.199 0.000 2.350 295 Q HA 0.390 4.848 4.340 0.196 0.000 0.255 295 Q C -2.578 173.298 176.000 -0.206 0.000 0.951 295 Q CA -1.821 53.863 55.803 -0.198 0.000 0.751 295 Q CB 2.073 30.706 28.738 -0.174 0.000 1.296 295 Q HN 0.240 nan 8.270 nan 0.000 0.453 296 P HA 0.200 nan 4.420 nan 0.000 0.270 296 P C -0.226 176.803 177.300 -0.450 0.000 1.223 296 P CA 0.016 62.913 63.100 -0.338 0.000 0.785 296 P CB 0.770 32.188 31.700 -0.470 0.000 0.923 297 I N 1.737 122.077 120.570 -0.382 0.000 2.495 297 I HA 0.236 4.524 4.170 0.196 0.000 0.277 297 I C -0.331 175.623 176.117 -0.271 0.000 1.045 297 I CA -0.757 60.355 61.300 -0.313 0.000 1.135 297 I CB 0.370 38.285 38.000 -0.143 0.000 1.241 297 I HN 0.145 nan 8.210 nan 0.000 0.469 298 F N 4.832 124.721 119.950 -0.102 0.000 2.602 298 F HA 0.272 4.914 4.527 0.192 0.000 0.385 298 F C 0.956 176.699 175.800 -0.095 0.000 1.063 298 F CA -0.044 57.849 58.000 -0.179 0.000 1.233 298 F CB 0.355 39.208 39.000 -0.246 0.000 1.067 298 F HN 0.491 nan 8.300 nan 0.000 0.564 299 A N 4.120 126.992 122.820 0.087 0.000 2.684 299 A HA 0.662 5.100 4.320 0.196 0.000 0.289 299 A C -0.816 176.818 177.584 0.083 0.000 1.139 299 A CA -0.373 51.711 52.037 0.078 0.000 0.793 299 A CB 0.341 19.369 19.000 0.047 0.000 1.334 299 A HN 0.825 nan 8.150 nan 0.000 0.408 300 V N -0.611 119.380 119.914 0.129 0.000 3.087 300 V HA 0.894 5.132 4.120 0.196 0.000 0.311 300 V C 0.391 176.582 176.094 0.161 0.000 1.333 300 V CA -0.235 62.168 62.300 0.171 0.000 1.054 300 V CB 0.796 32.802 31.823 0.304 0.000 1.123 300 V HN 1.239 nan 8.190 nan 0.000 0.473 301 T N -0.565 114.088 114.554 0.166 0.000 2.795 301 T HA 0.200 4.667 4.350 0.196 0.000 0.314 301 T C 1.305 176.079 174.700 0.122 0.000 1.069 301 T CA 0.481 62.658 62.100 0.127 0.000 1.071 301 T CB 0.636 69.574 68.868 0.116 0.000 0.988 301 T HN 1.819 nan 8.240 nan 0.000 0.543 302 S N -0.095 115.660 115.700 0.092 0.000 2.481 302 S HA -0.091 4.497 4.470 0.196 0.000 0.231 302 S C 1.895 176.536 174.600 0.069 0.000 0.996 302 S CA 0.270 58.516 58.200 0.077 0.000 0.942 302 S CB -0.521 62.714 63.200 0.060 0.000 0.768 302 S HN 0.772 nan 8.310 nan 0.000 0.520 303 R N 0.205 120.749 120.500 0.073 0.000 2.148 303 R HA 0.183 4.640 4.340 0.196 0.000 0.223 303 R C 0.817 177.152 176.300 0.058 0.000 1.088 303 R CA 0.883 57.019 56.100 0.059 0.000 0.985 303 R CB -0.048 30.289 30.300 0.062 0.000 0.880 303 R HN 0.379 nan 8.270 nan 0.000 0.451 304 M N 0.336 119.993 119.600 0.095 0.000 2.589 304 M HA 0.057 4.655 4.480 0.196 0.000 0.344 304 M C 1.082 177.459 176.300 0.128 0.000 1.168 304 M CA 0.052 55.401 55.300 0.081 0.000 0.956 304 M CB 1.033 33.743 32.600 0.184 0.000 1.370 304 M HN -0.022 nan 8.290 nan 0.000 0.518 305 V N 1.041 121.019 119.914 0.105 0.000 2.446 305 V HA -0.064 4.174 4.120 0.196 0.000 0.244 305 V C 1.829 177.956 176.094 0.055 0.000 1.039 305 V CA 1.787 64.156 62.300 0.116 0.000 1.045 305 V CB 0.098 31.975 31.823 0.090 0.000 0.681 305 V HN 0.419 nan 8.190 nan 0.000 0.459 306 K N -0.674 119.733 120.400 0.012 0.000 2.444 306 K HA 0.040 4.478 4.320 0.196 0.000 0.193 306 K C 1.851 178.416 176.600 -0.059 0.000 1.024 306 K CA 0.883 57.161 56.287 -0.014 0.000 1.077 306 K CB 0.189 32.686 32.500 -0.006 0.000 0.833 306 K HN 0.488 nan 8.250 nan 0.000 0.517 307 T N -0.697 113.791 114.554 -0.110 0.000 2.976 307 T HA -0.042 4.426 4.350 0.196 0.000 0.257 307 T C 1.254 175.764 174.700 -0.317 0.000 1.051 307 T CA 0.782 62.772 62.100 -0.185 0.000 1.141 307 T CB -0.012 68.729 68.868 -0.211 0.000 0.881 307 T HN 0.121 nan 8.240 nan 0.000 0.461 308 Y N 1.311 121.449 120.300 -0.271 0.000 2.561 308 Y HA 0.248 4.908 4.550 0.184 0.000 0.291 308 Y C 2.301 177.904 175.900 -0.495 0.000 1.141 308 Y CA 0.441 58.173 58.100 -0.614 0.000 1.303 308 Y CB -0.268 37.738 38.460 -0.757 0.000 1.015 308 Y HN 0.298 nan 8.280 nan 0.000 0.547 309 E N 0.839 120.967 120.200 -0.120 0.000 2.072 309 E HA -0.143 4.325 4.350 0.196 0.000 0.191 309 E C 1.856 178.412 176.600 -0.073 0.000 0.985 309 E CA 1.356 57.717 56.400 -0.066 0.000 0.801 309 E CB 0.029 29.715 29.700 -0.022 0.000 0.750 309 E HN -0.030 nan 8.360 nan 0.000 0.452 310 K N 0.056 120.405 120.400 -0.086 0.000 2.211 310 K HA -0.080 4.357 4.320 0.196 0.000 0.203 310 K C 1.951 178.500 176.600 -0.085 0.000 1.050 310 K CA 0.589 56.835 56.287 -0.069 0.000 0.945 310 K CB -0.344 32.119 32.500 -0.062 0.000 0.732 310 K HN 0.236 nan 8.250 nan 0.000 0.451 311 L N 1.159 122.290 121.223 -0.152 0.000 2.313 311 L HA -0.028 4.430 4.340 0.196 0.000 0.214 311 L C 1.725 178.552 176.870 -0.071 0.000 1.119 311 L CA 1.651 56.392 54.840 -0.164 0.000 0.809 311 L CB -0.595 41.252 42.059 -0.352 0.000 0.933 311 L HN 0.013 nan 8.230 nan 0.000 0.449 312 T N -0.490 114.031 114.554 -0.055 0.000 2.867 312 T HA -0.093 4.375 4.350 0.196 0.000 0.268 312 T C 1.652 176.393 174.700 0.068 0.000 1.057 312 T CA 1.175 63.328 62.100 0.088 0.000 1.136 312 T CB -0.090 68.834 68.868 0.093 0.000 0.874 312 T HN 0.359 nan 8.240 nan 0.000 0.466 313 E N 1.021 121.235 120.200 0.023 0.000 2.038 313 E HA -0.097 4.370 4.350 0.196 0.000 0.195 313 E C 2.213 178.822 176.600 0.014 0.000 1.000 313 E CA 0.893 57.305 56.400 0.020 0.000 0.803 313 E CB -0.334 29.364 29.700 -0.003 0.000 0.750 313 E HN 0.367 nan 8.360 nan 0.000 0.448 314 I N 1.230 121.795 120.570 -0.007 0.000 2.102 314 I HA -0.128 4.160 4.170 0.196 0.000 0.228 314 I C 1.860 177.960 176.117 -0.029 0.000 1.057 314 I CA 0.365 61.649 61.300 -0.027 0.000 1.334 314 I CB -1.000 36.975 38.000 -0.042 0.000 1.096 314 I HN 0.077 nan 8.210 nan 0.000 0.396 315 I N 2.430 122.993 120.570 -0.012 0.000 2.752 315 I HA 0.019 4.306 4.170 0.196 0.000 0.287 315 I C -2.030 174.073 176.117 -0.023 0.000 1.188 315 I CA -1.202 60.078 61.300 -0.033 0.000 1.427 315 I CB 1.041 39.041 38.000 0.000 0.000 1.365 315 I HN 0.031 nan 8.210 nan 0.000 0.585 316 P HA 0.148 nan 4.420 nan 0.000 0.276 316 P C -1.427 175.908 177.300 0.058 0.000 1.261 316 P CA -0.500 62.534 63.100 -0.110 0.000 0.800 316 P CB 0.293 31.598 31.700 -0.659 0.000 1.066 317 K N -0.545 120.035 120.400 0.301 0.000 4.814 317 K HA -0.061 4.377 4.320 0.196 0.000 0.295 317 K C -0.703 175.910 176.600 0.021 0.000 0.828 317 K CA 0.686 57.071 56.287 0.163 0.000 0.895 317 K CB -2.162 30.393 32.500 0.092 0.000 1.810 317 K HN 0.674 nan 8.250 nan 0.000 0.418 318 S N -0.779 114.953 115.700 0.053 0.000 2.592 318 S HA 0.731 5.319 4.470 0.196 0.000 0.275 318 S C -0.742 173.927 174.600 0.115 0.000 1.169 318 S CA -0.618 57.583 58.200 0.002 0.000 0.958 318 S CB 2.254 65.495 63.200 0.069 0.000 1.095 318 S HN 0.540 nan 8.310 nan 0.000 0.471 319 A N 2.049 124.914 122.820 0.076 0.000 2.330 319 A HA 0.929 5.366 4.320 0.196 0.000 0.329 319 A C 0.030 177.749 177.584 0.225 0.000 1.135 319 A CA -0.703 51.410 52.037 0.127 0.000 0.817 319 A CB 1.264 20.298 19.000 0.058 0.000 1.269 319 A HN 1.979 nan 8.150 nan 0.000 0.469 320 V N -0.840 119.183 119.914 0.183 0.000 2.435 320 V HA 0.878 5.116 4.120 0.196 0.000 0.290 320 V C 0.167 176.338 176.094 0.127 0.000 1.030 320 V CA 0.065 62.473 62.300 0.180 0.000 0.881 320 V CB 1.138 33.036 31.823 0.126 0.000 0.983 320 V HN 1.400 nan 8.190 nan 0.000 0.445 321 G N 2.983 111.860 108.800 0.128 0.000 2.866 321 G HA2 0.422 4.500 3.960 0.196 0.000 0.291 321 G HA3 0.422 4.500 3.960 0.196 0.000 0.291 321 G C -0.613 174.348 174.900 0.101 0.000 1.476 321 G CA -0.331 44.830 45.100 0.100 0.000 1.048 321 G HN 0.809 nan 8.290 nan 0.000 0.542 322 E N 2.626 122.881 120.200 0.091 0.000 2.257 322 E HA 0.383 4.851 4.350 0.196 0.000 0.278 322 E C -0.580 176.067 176.600 0.078 0.000 1.049 322 E CA -0.200 56.253 56.400 0.088 0.000 0.876 322 E CB 1.029 30.774 29.700 0.076 0.000 1.035 322 E HN 0.432 nan 8.360 nan 0.000 0.419 323 L N 1.052 122.324 121.223 0.081 0.000 2.341 323 L HA 0.593 5.051 4.340 0.196 0.000 0.254 323 L C -0.028 176.883 176.870 0.069 0.000 1.040 323 L CA -1.033 53.850 54.840 0.073 0.000 0.837 323 L CB 1.043 43.148 42.059 0.078 0.000 1.425 323 L HN 0.117 nan 8.230 nan 0.000 0.414 324 S N -0.411 115.325 115.700 0.061 0.000 2.600 324 S HA 0.160 4.747 4.470 0.196 0.000 0.265 324 S C 0.749 175.384 174.600 0.058 0.000 1.325 324 S CA -0.079 58.154 58.200 0.055 0.000 1.002 324 S CB 0.829 64.056 63.200 0.046 0.000 0.921 324 S HN 0.790 nan 8.310 nan 0.000 0.554 325 E N 1.099 121.331 120.200 0.054 0.000 2.526 325 E HA -0.085 4.383 4.350 0.196 0.000 0.198 325 E C 0.613 177.241 176.600 0.046 0.000 1.091 325 E CA 0.604 57.037 56.400 0.054 0.000 0.880 325 E CB -0.208 29.522 29.700 0.051 0.000 0.873 325 E HN 0.613 nan 8.360 nan 0.000 0.527 326 D N -1.941 118.485 120.400 0.044 0.000 2.407 326 D HA 0.046 4.803 4.640 0.196 0.000 0.208 326 D C 0.056 176.382 176.300 0.044 0.000 1.083 326 D CA 0.315 54.336 54.000 0.035 0.000 0.844 326 D CB -0.235 40.581 40.800 0.027 0.000 0.967 326 D HN -0.045 nan 8.370 nan 0.000 0.506 327 S N -0.775 114.961 115.700 0.060 0.000 3.641 327 S HA -0.224 4.364 4.470 0.196 0.000 0.346 327 S C 1.300 175.941 174.600 0.068 0.000 1.074 327 S CA 0.808 59.056 58.200 0.080 0.000 1.026 327 S CB -2.187 61.074 63.200 0.103 0.000 0.908 327 S HN 0.659 nan 8.310 nan 0.000 0.479 328 S N 1.281 117.012 115.700 0.052 0.000 2.421 328 S HA -0.047 4.540 4.470 0.196 0.000 0.224 328 S C 0.955 175.584 174.600 0.048 0.000 1.035 328 S CA 0.570 58.795 58.200 0.041 0.000 0.953 328 S CB -0.318 62.900 63.200 0.031 0.000 0.810 328 S HN 0.764 nan 8.310 nan 0.000 0.497 329 N N 1.953 120.685 118.700 0.055 0.000 2.597 329 N HA 0.163 5.021 4.740 0.196 0.000 0.269 329 N C 0.625 176.180 175.510 0.074 0.000 1.204 329 N CA -0.174 52.911 53.050 0.058 0.000 0.947 329 N CB 0.380 38.899 38.487 0.053 0.000 1.258 329 N HN 0.302 nan 8.380 nan 0.000 0.508 330 V N -0.417 119.549 119.914 0.087 0.000 2.788 330 V HA -0.023 4.215 4.120 0.196 0.000 0.251 330 V C 1.498 177.662 176.094 0.118 0.000 1.068 330 V CA 0.840 63.212 62.300 0.120 0.000 1.090 330 V CB 0.039 31.964 31.823 0.171 0.000 0.710 330 V HN 0.257 nan 8.190 nan 0.000 0.467 331 V N 0.051 120.021 119.914 0.093 0.000 2.871 331 V HA -0.162 4.076 4.120 0.196 0.000 0.256 331 V C 2.249 178.391 176.094 0.082 0.000 1.082 331 V CA 1.859 64.211 62.300 0.086 0.000 1.105 331 V CB -0.580 31.281 31.823 0.063 0.000 0.713 331 V HN 0.649 nan 8.190 nan 0.000 0.473 332 Q N -0.193 119.652 119.800 0.074 0.000 2.472 332 Q HA -0.018 4.439 4.340 0.196 0.000 0.208 332 Q C 2.018 178.064 176.000 0.076 0.000 0.958 332 Q CA 0.634 56.479 55.803 0.070 0.000 0.932 332 Q CB -0.051 28.723 28.738 0.060 0.000 1.007 332 Q HN 0.621 nan 8.270 nan 0.000 0.508 333 L N 0.018 121.289 121.223 0.081 0.000 2.046 333 L HA -0.196 4.262 4.340 0.196 0.000 0.208 333 L C 2.013 178.926 176.870 0.072 0.000 1.077 333 L CA 1.102 55.987 54.840 0.075 0.000 0.747 333 L CB -0.254 41.851 42.059 0.077 0.000 0.896 333 L HN 0.342 nan 8.230 nan 0.000 0.432 334 I N -0.625 119.997 120.570 0.088 0.000 3.059 334 I HA -0.150 4.138 4.170 0.196 0.000 0.270 334 I C 2.362 178.574 176.117 0.158 0.000 1.238 334 I CA 0.352 61.713 61.300 0.102 0.000 1.478 334 I CB -0.146 37.931 38.000 0.128 0.000 1.097 334 I HN 0.132 nan 8.210 nan 0.000 0.455 335 K N 1.760 122.237 120.400 0.129 0.000 2.283 335 K HA -0.096 4.342 4.320 0.196 0.000 0.202 335 K C 1.304 177.973 176.600 0.114 0.000 1.048 335 K CA 1.444 57.805 56.287 0.124 0.000 0.948 335 K CB -0.104 32.448 32.500 0.086 0.000 0.742 335 K HN 0.211 nan 8.250 nan 0.000 0.458 336 N N -0.227 118.530 118.700 0.095 0.000 2.299 336 N HA 0.145 5.002 4.740 0.196 0.000 0.187 336 N C 0.915 176.466 175.510 0.069 0.000 1.099 336 N CA 0.717 53.815 53.050 0.080 0.000 0.867 336 N CB 0.446 38.974 38.487 0.068 0.000 0.974 336 N HN 0.246 nan 8.380 nan 0.000 0.477 337 A N 0.449 123.304 122.820 0.059 0.000 1.832 337 A HA -0.032 4.406 4.320 0.196 0.000 0.214 337 A C 1.617 179.191 177.584 -0.016 0.000 1.242 337 A CA 0.819 52.843 52.037 -0.022 0.000 0.603 337 A CB -1.173 17.761 19.000 -0.110 0.000 0.902 337 A HN 0.219 nan 8.150 nan 0.000 0.455 338 Y N 0.759 121.091 120.300 0.054 0.000 2.365 338 Y HA -0.261 4.408 4.550 0.199 0.000 0.287 338 Y C 2.522 178.458 175.900 0.059 0.000 1.162 338 Y CA 1.291 59.427 58.100 0.061 0.000 1.260 338 Y CB -0.343 38.152 38.460 0.058 0.000 0.976 338 Y HN 0.467 nan 8.280 nan 0.000 0.548 339 N N 0.786 119.598 118.700 0.187 0.000 2.036 339 N HA -0.195 4.662 4.740 0.196 0.000 0.195 339 N C 0.841 176.412 175.510 0.102 0.000 1.037 339 N CA 1.706 54.831 53.050 0.126 0.000 0.855 339 N CB -0.028 38.516 38.487 0.095 0.000 1.033 339 N HN 0.110 nan 8.380 nan 0.000 0.423 340 K N -0.478 119.972 120.400 0.083 0.000 2.619 340 K HA 0.157 4.595 4.320 0.196 0.000 0.201 340 K C 0.461 177.093 176.600 0.054 0.000 1.090 340 K CA -0.183 56.143 56.287 0.065 0.000 1.063 340 K CB 0.582 33.114 32.500 0.054 0.000 0.810 340 K HN 0.156 nan 8.250 nan 0.000 0.506 341 L N -0.010 121.246 121.223 0.055 0.000 2.470 341 L HA 0.239 4.697 4.340 0.196 0.000 0.219 341 L C 1.084 178.011 176.870 0.095 0.000 1.071 341 L CA 1.307 56.164 54.840 0.029 0.000 0.850 341 L CB 0.410 42.427 42.059 -0.070 0.000 1.040 341 L HN -0.140 nan 8.230 nan 0.000 0.475 342 S N -1.146 114.651 115.700 0.161 0.000 2.634 342 S HA 0.138 4.726 4.470 0.196 0.000 0.221 342 S C 1.549 176.268 174.600 0.198 0.000 0.952 342 S CA 0.532 58.879 58.200 0.245 0.000 0.930 342 S CB 0.018 63.404 63.200 0.309 0.000 0.780 342 S HN 0.416 nan 8.310 nan 0.000 0.498 343 S N 1.097 116.874 115.700 0.129 0.000 2.545 343 S HA 0.190 4.777 4.470 0.196 0.000 0.232 343 S C 0.757 175.368 174.600 0.017 0.000 1.070 343 S CA -0.200 58.050 58.200 0.084 0.000 0.923 343 S CB 0.239 63.476 63.200 0.062 0.000 0.806 343 S HN 0.351 nan 8.310 nan 0.000 0.506 344 R N 2.681 123.157 120.500 -0.040 0.000 2.878 344 R HA 0.198 4.656 4.340 0.196 0.000 0.239 344 R C -1.052 175.039 176.300 -0.348 0.000 1.515 344 R CA -0.056 55.880 56.100 -0.272 0.000 1.210 344 R CB -0.167 29.948 30.300 -0.309 0.000 1.209 344 R HN 0.096 nan 8.270 nan 0.000 0.610 345 V N 5.039 124.799 119.914 -0.256 0.000 2.439 345 V HA 0.119 4.357 4.120 0.196 0.000 0.271 345 V C 0.255 176.102 176.094 -0.412 0.000 1.040 345 V CA 0.343 62.506 62.300 -0.227 0.000 1.002 345 V CB -0.129 31.649 31.823 -0.074 0.000 1.000 345 V HN 0.422 nan 8.190 nan 0.000 0.477 346 F N 4.530 124.393 119.950 -0.146 0.000 2.483 346 F HA 0.666 5.311 4.527 0.196 0.000 0.329 346 F C 0.166 175.729 175.800 -0.395 0.000 1.064 346 F CA -0.719 57.144 58.000 -0.228 0.000 0.986 346 F CB 1.903 40.845 39.000 -0.098 0.000 1.218 346 F HN 0.276 nan 8.300 nan 0.000 0.484 347 L N 2.450 123.523 121.223 -0.250 0.000 2.685 347 L HA 0.306 4.764 4.340 0.196 0.000 0.297 347 L C -0.883 175.757 176.870 -0.384 0.000 1.367 347 L CA -0.023 54.560 54.840 -0.427 0.000 0.703 347 L CB -0.485 41.043 42.059 -0.883 0.000 1.039 347 L HN 0.441 nan 8.230 nan 0.000 0.529 348 D N 0.092 120.398 120.400 -0.157 0.000 2.469 348 D HA 0.519 5.277 4.640 0.196 0.000 0.278 348 D C -0.085 176.337 176.300 0.203 0.000 1.231 348 D CA 0.134 54.114 54.000 -0.035 0.000 1.075 348 D CB 0.555 41.263 40.800 -0.154 0.000 1.121 348 D HN 0.432 nan 8.370 nan 0.000 0.571 349 H N -2.029 117.091 119.070 0.084 0.000 3.017 349 H HA 0.358 5.032 4.556 0.197 0.000 0.346 349 H C -0.825 174.560 175.328 0.095 0.000 1.286 349 H CA -0.870 55.270 56.048 0.153 0.000 1.120 349 H CB 0.099 30.008 29.762 0.245 0.000 1.860 349 H HN 0.057 nan 8.280 nan 0.000 0.542 350 N N 0.082 118.895 118.700 0.189 0.000 2.407 350 N HA 0.179 5.037 4.740 0.196 0.000 0.250 350 N C 0.153 175.688 175.510 0.042 0.000 1.236 350 N CA 0.448 53.553 53.050 0.092 0.000 0.879 350 N CB 0.369 38.948 38.487 0.153 0.000 1.088 350 N HN 0.713 nan 8.380 nan 0.000 0.450 351 A N 2.315 125.122 122.820 -0.020 0.000 2.512 351 A HA 0.110 4.548 4.320 0.196 0.000 0.278 351 A C 0.254 177.845 177.584 0.012 0.000 1.128 351 A CA -0.186 51.829 52.037 -0.036 0.000 0.818 351 A CB -1.232 17.746 19.000 -0.036 0.000 1.044 351 A HN 0.588 nan 8.150 nan 0.000 0.526 352 L N 2.819 124.058 121.223 0.026 0.000 2.453 352 L HA 0.639 5.096 4.340 0.196 0.000 0.261 352 L C -1.819 175.032 176.870 -0.031 0.000 1.179 352 L CA -1.787 53.036 54.840 -0.028 0.000 0.813 352 L CB -0.880 41.095 42.059 -0.140 0.000 1.110 352 L HN 0.420 nan 8.230 nan 0.000 0.466 353 P HA 0.047 nan 4.420 nan 0.000 0.269 353 P C -0.287 176.989 177.300 -0.040 0.000 1.215 353 P CA -0.137 62.946 63.100 -0.029 0.000 0.780 353 P CB 0.478 32.165 31.700 -0.021 0.000 0.898 354 D N -0.298 120.080 120.400 -0.036 0.000 2.263 354 D HA -0.154 4.603 4.640 0.196 0.000 0.208 354 D C 1.143 177.414 176.300 -0.049 0.000 0.971 354 D CA 1.507 55.481 54.000 -0.043 0.000 0.867 354 D CB -1.385 39.389 40.800 -0.044 0.000 0.929 354 D HN 0.449 nan 8.370 nan 0.000 0.492 355 T N -2.171 112.357 114.554 -0.044 0.000 3.215 355 T HA 0.227 4.694 4.350 0.196 0.000 0.254 355 T C 0.686 175.359 174.700 -0.045 0.000 1.149 355 T CA -0.150 61.926 62.100 -0.041 0.000 1.042 355 T CB -0.463 68.387 68.868 -0.030 0.000 0.966 355 T HN 0.135 nan 8.240 nan 0.000 0.534 356 L N -0.149 121.038 121.223 -0.060 0.000 2.415 356 L HA 0.667 5.125 4.340 0.196 0.000 0.256 356 L C -0.857 175.963 176.870 -0.083 0.000 1.010 356 L CA -1.261 53.531 54.840 -0.080 0.000 0.826 356 L CB 2.291 44.275 42.059 -0.125 0.000 1.405 356 L HN -0.181 nan 8.230 nan 0.000 0.410 357 K N 2.001 122.348 120.400 -0.089 0.000 2.535 357 K HA 0.631 5.069 4.320 0.196 0.000 0.250 357 K C -1.465 175.062 176.600 -0.121 0.000 0.948 357 K CA -0.532 55.710 56.287 -0.075 0.000 0.796 357 K CB 2.712 35.191 32.500 -0.035 0.000 1.216 357 K HN 0.243 nan 8.250 nan 0.000 0.432 358 V N 1.719 121.541 119.914 -0.155 0.000 2.715 358 V HA 0.641 4.879 4.120 0.196 0.000 0.310 358 V C 0.266 176.246 176.094 -0.191 0.000 1.054 358 V CA -0.594 61.542 62.300 -0.273 0.000 0.928 358 V CB 1.998 33.487 31.823 -0.555 0.000 1.007 358 V HN 1.013 nan 8.190 nan 0.000 0.437 359 T N 0.556 114.927 114.554 -0.306 0.000 2.804 359 T HA 0.832 5.299 4.350 0.196 0.000 0.290 359 T C -1.385 173.065 174.700 -0.418 0.000 1.099 359 T CA -0.652 61.351 62.100 -0.162 0.000 1.011 359 T CB 1.987 70.819 68.868 -0.061 0.000 1.291 359 T HN 0.364 nan 8.240 nan 0.000 0.523 360 Y N -1.093 119.191 120.300 -0.026 0.000 2.677 360 Y HA 0.721 5.389 4.550 0.197 0.000 0.334 360 Y C -0.796 175.126 175.900 0.037 0.000 1.154 360 Y CA -0.972 57.126 58.100 -0.005 0.000 1.070 360 Y CB 1.602 40.062 38.460 -0.000 0.000 1.294 360 Y HN 0.713 nan 8.280 nan 0.000 0.475 361 D N -0.829 119.738 120.400 0.279 0.000 2.533 361 D HA 0.743 5.501 4.640 0.196 0.000 0.247 361 D C -1.388 175.080 176.300 0.280 0.000 1.056 361 D CA -0.708 53.413 54.000 0.202 0.000 1.054 361 D CB 2.105 43.000 40.800 0.159 0.000 1.400 361 D HN 0.348 nan 8.370 nan 0.000 0.533 362 S N -0.107 115.670 115.700 0.128 0.000 2.614 362 S HA 0.500 5.088 4.470 0.196 0.000 0.275 362 S C -1.343 173.178 174.600 -0.131 0.000 1.161 362 S CA -0.557 57.706 58.200 0.106 0.000 0.969 362 S CB 0.689 64.001 63.200 0.188 0.000 1.059 362 S HN 0.297 nan 8.310 nan 0.000 0.482 363 F N 1.659 121.567 119.950 -0.071 0.000 2.622 363 F HA 0.310 4.955 4.527 0.196 0.000 0.338 363 F C 0.458 176.197 175.800 -0.102 0.000 1.334 363 F CA -0.649 57.307 58.000 -0.074 0.000 1.179 363 F CB 0.340 39.290 39.000 -0.084 0.000 1.471 363 F HN 0.492 nan 8.300 nan 0.000 0.576 364 c N 0.641 119.269 118.600 0.047 0.000 2.775 364 c HA 0.024 4.712 4.570 0.196 0.000 0.391 364 c C 2.273 176.390 174.090 0.044 0.000 1.295 364 c CA 0.643 56.989 56.329 0.029 0.000 2.119 364 c CB 0.802 43.332 42.510 0.033 0.000 2.705 364 c HN 0.872 nan 8.230 nan 0.000 0.710 365 S N 1.476 117.193 115.700 0.028 0.000 2.371 365 S HA -0.127 4.461 4.470 0.196 0.000 0.224 365 S C 0.635 175.249 174.600 0.023 0.000 1.029 365 S CA 1.201 59.417 58.200 0.025 0.000 0.978 365 S CB -0.558 62.654 63.200 0.020 0.000 0.833 365 S HN 0.896 nan 8.310 nan 0.000 0.466 366 N N 1.683 120.394 118.700 0.018 0.000 3.188 366 N HA 0.463 5.320 4.740 0.196 0.000 0.279 366 N C 0.942 176.452 175.510 0.001 0.000 1.213 366 N CA 0.111 53.168 53.050 0.011 0.000 1.138 366 N CB -0.118 38.376 38.487 0.012 0.000 1.417 366 N HN 0.539 nan 8.380 nan 0.000 0.526 367 G N -0.707 108.096 108.800 0.005 0.000 2.383 367 G HA2 -0.311 3.766 3.960 0.196 0.000 0.229 367 G HA3 -0.311 3.766 3.960 0.196 0.000 0.229 367 G C -0.108 174.769 174.900 -0.038 0.000 1.089 367 G CA 0.140 45.235 45.100 -0.009 0.000 0.640 367 G HN 0.508 nan 8.290 nan 0.000 0.510 368 V N 2.142 122.012 119.914 -0.074 0.000 2.540 368 V HA 0.416 4.654 4.120 0.196 0.000 0.297 368 V C 0.790 176.745 176.094 -0.231 0.000 1.024 368 V CA 1.418 63.597 62.300 -0.200 0.000 1.105 368 V CB 1.211 32.904 31.823 -0.215 0.000 0.938 368 V HN 0.386 nan 8.190 nan 0.000 0.482 369 T N 4.576 118.919 114.554 -0.352 0.000 3.427 369 T HA 0.312 4.780 4.350 0.196 0.000 0.306 369 T C -0.066 174.322 174.700 -0.519 0.000 1.733 369 T CA -0.293 61.517 62.100 -0.483 0.000 1.599 369 T CB -0.469 68.269 68.868 -0.217 0.000 0.964 369 T HN 0.761 nan 8.240 nan 0.000 0.701 370 H N 1.625 120.434 119.070 -0.435 0.000 2.603 370 H HA 0.616 5.290 4.556 0.196 0.000 0.370 370 H C 0.563 175.709 175.328 -0.303 0.000 1.225 370 H CA -0.349 55.536 56.048 -0.272 0.000 1.410 370 H CB 0.778 30.447 29.762 -0.155 0.000 1.495 370 H HN 0.214 nan 8.280 nan 0.000 0.602 371 R N 1.547 122.059 120.500 0.019 0.000 2.522 371 R HA 0.163 4.621 4.340 0.196 0.000 0.273 371 R C -1.297 175.016 176.300 0.023 0.000 1.133 371 R CA -1.089 55.006 56.100 -0.008 0.000 0.969 371 R CB 1.433 31.720 30.300 -0.021 0.000 1.235 371 R HN 0.806 nan 8.270 nan 0.000 0.433 372 N N 2.997 121.719 118.700 0.037 0.000 2.422 372 N HA -0.168 4.690 4.740 0.196 0.000 0.289 372 N C -1.331 174.198 175.510 0.031 0.000 1.385 372 N CA 1.040 54.111 53.050 0.035 0.000 0.639 372 N CB -0.427 38.072 38.487 0.020 0.000 0.914 372 N HN 0.727 nan 8.380 nan 0.000 0.516 373 Q N -0.608 119.230 119.800 0.063 0.000 2.805 373 Q HA 0.219 4.677 4.340 0.196 0.000 0.257 373 Q C -2.648 173.430 176.000 0.130 0.000 0.977 373 Q CA -1.012 54.823 55.803 0.053 0.000 0.901 373 Q CB 2.674 31.398 28.738 -0.024 0.000 1.778 373 Q HN 0.146 nan 8.270 nan 0.000 0.441 374 P HA 0.060 nan 4.420 nan 0.000 0.280 374 P C -0.294 176.954 177.300 -0.088 0.000 1.278 374 P CA 0.177 63.379 63.100 0.170 0.000 0.787 374 P CB 0.568 32.342 31.700 0.122 0.000 1.163 375 R N -2.859 117.456 120.500 -0.309 0.000 3.868 375 R HA -0.127 4.330 4.340 0.196 0.000 0.476 375 R C 0.623 176.651 176.300 -0.453 0.000 0.241 375 R CA 1.192 57.113 56.100 -0.298 0.000 1.496 375 R CB -1.937 28.337 30.300 -0.044 0.000 1.052 375 R HN 0.858 nan 8.270 nan 0.000 0.541 376 G N 0.231 108.845 108.800 -0.311 0.000 5.302 376 G HA2 0.095 4.173 3.960 0.196 0.000 0.223 376 G HA3 0.095 4.173 3.960 0.196 0.000 0.223 376 G C -1.160 173.715 174.900 -0.040 0.000 0.832 376 G CA 0.007 44.916 45.100 -0.317 0.000 0.714 376 G HN 0.516 nan 8.290 nan 0.000 0.444 377 D N 0.890 121.242 120.400 -0.079 0.000 2.383 377 D HA 0.124 4.882 4.640 0.196 0.000 0.275 377 D C -0.148 176.141 176.300 -0.018 0.000 1.344 377 D CA 0.226 54.150 54.000 -0.127 0.000 0.984 377 D CB -0.015 40.743 40.800 -0.070 0.000 1.104 377 D HN 0.053 nan 8.370 nan 0.000 0.524 378 c N 4.418 123.008 118.600 -0.017 0.000 2.647 378 c HA 0.175 4.863 4.570 0.196 0.000 0.273 378 c C 0.476 174.569 174.090 0.005 0.000 1.088 378 c CA -1.027 55.328 56.329 0.043 0.000 1.529 378 c CB 0.332 42.896 42.510 0.090 0.000 1.810 378 c HN 0.497 nan 8.230 nan 0.000 0.422 379 D N 1.590 121.991 120.400 0.002 0.000 3.008 379 D HA 0.255 5.013 4.640 0.196 0.000 0.242 379 D C 1.128 177.445 176.300 0.027 0.000 1.222 379 D CA 0.349 54.351 54.000 0.004 0.000 0.883 379 D CB -0.174 40.629 40.800 0.005 0.000 1.110 379 D HN 0.797 nan 8.370 nan 0.000 0.455 380 G N -0.138 108.683 108.800 0.035 0.000 5.084 380 G HA2 0.365 4.443 3.960 0.196 0.000 0.241 380 G HA3 0.365 4.443 3.960 0.196 0.000 0.241 380 G C -0.554 174.373 174.900 0.044 0.000 0.918 380 G CA -0.093 45.029 45.100 0.038 0.000 0.754 380 G HN 0.223 nan 8.290 nan 0.000 0.478 381 V N -1.995 117.954 119.914 0.058 0.000 2.851 381 V HA 0.782 5.019 4.120 0.196 0.000 0.307 381 V C -0.085 176.066 176.094 0.095 0.000 1.129 381 V CA -0.669 61.674 62.300 0.073 0.000 0.932 381 V CB 1.429 33.304 31.823 0.087 0.000 1.024 381 V HN 0.346 nan 8.190 nan 0.000 0.426 382 Q N 4.384 124.237 119.800 0.088 0.000 2.013 382 Q HA 0.484 4.941 4.340 0.196 0.000 0.158 382 Q C 1.026 177.081 176.000 0.092 0.000 0.517 382 Q CA -0.141 55.721 55.803 0.098 0.000 0.753 382 Q CB 0.799 29.582 28.738 0.075 0.000 1.005 382 Q HN 0.583 nan 8.270 nan 0.000 0.393 383 I N 0.478 121.078 120.570 0.051 0.000 3.700 383 I HA 0.090 4.377 4.170 0.196 0.000 0.232 383 I C 0.542 176.657 176.117 -0.004 0.000 1.033 383 I CA 0.258 61.572 61.300 0.023 0.000 1.525 383 I CB 0.233 38.235 38.000 0.003 0.000 1.411 383 I HN 0.236 nan 8.210 nan 0.000 0.458 384 N N 0.880 119.572 118.700 -0.013 0.000 2.818 384 N HA 0.266 5.124 4.740 0.196 0.000 0.301 384 N C -1.533 173.963 175.510 -0.024 0.000 1.821 384 N CA 0.081 53.111 53.050 -0.033 0.000 0.930 384 N CB 0.730 39.195 38.487 -0.037 0.000 1.263 384 N HN -0.085 nan 8.380 nan 0.000 0.487 385 V N 2.566 122.472 119.914 -0.014 0.000 2.445 385 V HA 0.422 4.660 4.120 0.196 0.000 0.283 385 V C -2.047 174.046 176.094 -0.001 0.000 1.014 385 V CA -1.447 60.849 62.300 -0.007 0.000 0.852 385 V CB 1.748 33.575 31.823 0.007 0.000 1.021 385 V HN 0.261 nan 8.190 nan 0.000 0.435 386 P HA 0.265 nan 4.420 nan 0.000 0.271 386 P C -0.246 177.056 177.300 0.003 0.000 1.233 386 P CA 0.215 63.309 63.100 -0.009 0.000 0.795 386 P CB 0.591 32.277 31.700 -0.024 0.000 0.936 387 I N -4.246 116.326 120.570 0.003 0.000 3.466 387 I HA 0.699 4.987 4.170 0.196 0.000 0.311 387 I C -1.116 174.886 176.117 -0.191 0.000 1.155 387 I CA -0.865 60.369 61.300 -0.111 0.000 0.959 387 I CB 2.299 40.191 38.000 -0.181 0.000 1.332 387 I HN 0.045 nan 8.210 nan 0.000 0.483 388 T N 1.967 116.298 114.554 -0.372 0.000 3.031 388 T HA 0.568 5.036 4.350 0.196 0.000 0.305 388 T C -1.222 173.267 174.700 -0.351 0.000 0.985 388 T CA -0.150 61.807 62.100 -0.239 0.000 1.008 388 T CB 0.708 69.535 68.868 -0.068 0.000 1.005 388 T HN 0.378 nan 8.240 nan 0.000 0.444 389 F N 2.147 122.184 119.950 0.144 0.000 2.449 389 F HA 0.463 5.108 4.527 0.196 0.000 0.342 389 F C 0.612 176.467 175.800 0.093 0.000 1.127 389 F CA -0.999 57.086 58.000 0.141 0.000 0.975 389 F CB 1.858 40.944 39.000 0.144 0.000 1.146 389 F HN 0.348 nan 8.300 nan 0.000 0.444 390 Q N 3.872 123.815 119.800 0.238 0.000 2.456 390 Q HA 0.393 4.851 4.340 0.196 0.000 0.234 390 Q C -1.213 174.734 176.000 -0.090 0.000 1.061 390 Q CA -0.493 55.345 55.803 0.059 0.000 0.896 390 Q CB 1.049 29.836 28.738 0.081 0.000 1.233 390 Q HN 0.567 nan 8.270 nan 0.000 0.506 391 V N 5.118 124.816 119.914 -0.359 0.000 2.455 391 V HA 0.174 4.411 4.120 0.196 0.000 0.273 391 V C -0.106 175.571 176.094 -0.695 0.000 1.045 391 V CA -0.019 61.861 62.300 -0.700 0.000 0.976 391 V CB 0.802 31.992 31.823 -1.055 0.000 0.993 391 V HN 0.637 nan 8.190 nan 0.000 0.475 392 K N 4.462 124.600 120.400 -0.436 0.000 2.449 392 K HA 0.555 4.993 4.320 0.196 0.000 0.257 392 K C -1.129 175.372 176.600 -0.165 0.000 0.989 392 K CA -0.523 55.628 56.287 -0.226 0.000 0.916 392 K CB 1.969 34.391 32.500 -0.130 0.000 1.136 392 K HN 0.455 nan 8.250 nan 0.000 0.439 393 V N 2.951 122.847 119.914 -0.030 0.000 2.394 393 V HA 0.307 4.545 4.120 0.196 0.000 0.282 393 V C -0.008 176.098 176.094 0.019 0.000 1.031 393 V CA -0.359 61.946 62.300 0.008 0.000 0.881 393 V CB 1.487 33.410 31.823 0.166 0.000 0.982 393 V HN 0.725 nan 8.190 nan 0.000 0.451 394 T N 3.659 118.202 114.554 -0.019 0.000 2.907 394 T HA 0.817 5.284 4.350 0.196 0.000 0.292 394 T C -0.133 174.558 174.700 -0.015 0.000 1.043 394 T CA -0.354 61.743 62.100 -0.006 0.000 1.003 394 T CB 2.034 70.897 68.868 -0.008 0.000 1.084 394 T HN 0.896 nan 8.240 nan 0.000 0.483 395 A N 0.764 123.581 122.820 -0.006 0.000 2.346 395 A HA 0.783 5.221 4.320 0.196 0.000 0.313 395 A C 1.162 178.742 177.584 -0.008 0.000 1.140 395 A CA -0.302 51.728 52.037 -0.012 0.000 0.826 395 A CB 1.003 19.998 19.000 -0.008 0.000 1.332 395 A HN 0.904 nan 8.150 nan 0.000 0.457 396 T N -2.224 112.324 114.554 -0.009 0.000 3.042 396 T HA 0.260 4.728 4.350 0.196 0.000 0.245 396 T C 0.475 175.168 174.700 -0.011 0.000 1.029 396 T CA 0.872 62.973 62.100 0.003 0.000 1.120 396 T CB -0.339 68.537 68.868 0.013 0.000 0.917 396 T HN 0.858 nan 8.240 nan 0.000 0.467 397 E N -0.579 119.610 120.200 -0.019 0.000 2.431 397 E HA 0.501 4.969 4.350 0.196 0.000 0.268 397 E C -1.240 175.344 176.600 -0.026 0.000 0.953 397 E CA -1.275 55.108 56.400 -0.028 0.000 0.810 397 E CB 0.906 30.590 29.700 -0.026 0.000 1.369 397 E HN 0.001 nan 8.360 nan 0.000 0.440 398 c N 2.913 121.495 118.600 -0.029 0.000 2.551 398 c HA 0.213 4.901 4.570 0.196 0.000 0.378 398 c C 1.069 175.147 174.090 -0.021 0.000 1.101 398 c CA -0.665 55.650 56.329 -0.024 0.000 1.360 398 c CB -2.771 39.724 42.510 -0.026 0.000 1.895 398 c HN 0.474 nan 8.230 nan 0.000 0.540 399 I N 1.166 121.725 120.570 -0.018 0.000 3.332 399 I HA 0.126 4.414 4.170 0.196 0.000 0.280 399 I C 0.268 176.374 176.117 -0.018 0.000 1.285 399 I CA 0.074 61.365 61.300 -0.016 0.000 1.347 399 I CB 0.470 38.463 38.000 -0.012 0.000 1.353 399 I HN 0.342 nan 8.210 nan 0.000 0.611 400 Q N 2.245 122.036 119.800 -0.015 0.000 2.222 400 Q HA 0.205 4.662 4.340 0.196 0.000 0.252 400 Q C -0.553 175.436 176.000 -0.019 0.000 0.926 400 Q CA -0.439 55.354 55.803 -0.017 0.000 0.899 400 Q CB 1.187 29.917 28.738 -0.013 0.000 1.250 400 Q HN 0.646 nan 8.270 nan 0.000 0.441 401 E N 2.526 122.708 120.200 -0.030 0.000 2.585 401 E HA -0.081 4.387 4.350 0.196 0.000 0.252 401 E C -0.748 175.837 176.600 -0.023 0.000 0.981 401 E CA 0.698 57.073 56.400 -0.041 0.000 0.943 401 E CB 0.374 30.040 29.700 -0.056 0.000 0.923 401 E HN 0.588 nan 8.360 nan 0.000 0.486 402 Q N 1.838 121.631 119.800 -0.012 0.000 2.893 402 Q HA 0.489 4.947 4.340 0.196 0.000 0.331 402 Q C -1.500 174.513 176.000 0.022 0.000 0.893 402 Q CA -0.985 54.827 55.803 0.014 0.000 0.783 402 Q CB 2.125 30.887 28.738 0.040 0.000 1.440 402 Q HN 0.608 nan 8.270 nan 0.000 0.508 403 S N -0.138 115.594 115.700 0.054 0.000 2.543 403 S HA 0.792 5.379 4.470 0.196 0.000 0.271 403 S C -1.178 173.493 174.600 0.118 0.000 1.148 403 S CA -0.824 57.389 58.200 0.021 0.000 0.914 403 S CB 0.862 64.029 63.200 -0.055 0.000 1.096 403 S HN 0.616 nan 8.310 nan 0.000 0.471 404 F N 0.554 120.505 119.950 0.001 0.000 2.814 404 F HA 0.948 5.592 4.527 0.196 0.000 0.353 404 F C -0.938 174.886 175.800 0.041 0.000 1.177 404 F CA -1.212 56.807 58.000 0.031 0.000 1.036 404 F CB 0.869 39.902 39.000 0.055 0.000 1.455 404 F HN 0.706 nan 8.300 nan 0.000 0.520 405 V N -0.567 119.496 119.914 0.247 0.000 2.925 405 V HA 0.656 4.894 4.120 0.196 0.000 0.311 405 V C -1.178 175.119 176.094 0.338 0.000 1.104 405 V CA -1.021 61.344 62.300 0.109 0.000 0.954 405 V CB 1.751 33.628 31.823 0.089 0.000 1.022 405 V HN 0.867 nan 8.190 nan 0.000 0.427 406 I N 3.556 124.267 120.570 0.235 0.000 2.428 406 I HA 0.540 4.828 4.170 0.196 0.000 0.279 406 I C 0.308 176.536 176.117 0.185 0.000 1.040 406 I CA -0.356 61.130 61.300 0.311 0.000 1.171 406 I CB 1.090 39.312 38.000 0.370 0.000 1.312 406 I HN 0.656 nan 8.210 nan 0.000 0.470 407 R N 3.608 124.199 120.500 0.152 0.000 2.596 407 R HA 0.775 5.232 4.340 0.196 0.000 0.267 407 R C -0.146 176.199 176.300 0.074 0.000 1.026 407 R CA -0.782 55.380 56.100 0.103 0.000 1.087 407 R CB 1.538 31.890 30.300 0.086 0.000 1.132 407 R HN 0.608 nan 8.270 nan 0.000 0.531 408 A N 2.681 125.560 122.820 0.098 0.000 2.252 408 A HA 0.302 4.739 4.320 0.196 0.000 0.309 408 A C 0.140 177.933 177.584 0.348 0.000 1.285 408 A CA -0.636 51.484 52.037 0.139 0.000 0.900 408 A CB 0.143 19.099 19.000 -0.073 0.000 1.157 408 A HN 0.607 nan 8.150 nan 0.000 0.536 409 L N 2.352 123.699 121.223 0.207 0.000 2.667 409 L HA 0.177 4.634 4.340 0.196 0.000 0.278 409 L C 1.410 178.311 176.870 0.052 0.000 1.217 409 L CA 1.357 56.227 54.840 0.050 0.000 0.935 409 L CB -0.257 41.679 42.059 -0.205 0.000 1.193 409 L HN 1.206 nan 8.230 nan 0.000 0.493 410 G N 3.042 111.750 108.800 -0.152 0.000 2.142 410 G HA2 -0.258 3.820 3.960 0.196 0.000 0.225 410 G HA3 -0.258 3.820 3.960 0.196 0.000 0.225 410 G C -0.409 173.992 174.900 -0.832 0.000 1.015 410 G CA -0.539 44.285 45.100 -0.460 0.000 0.716 410 G HN 0.473 nan 8.290 nan 0.000 0.508 411 F N -1.040 118.908 119.950 -0.004 0.000 2.608 411 F HA 0.510 5.156 4.527 0.198 0.000 0.309 411 F C 1.173 176.967 175.800 -0.010 0.000 1.103 411 F CA -0.277 57.730 58.000 0.011 0.000 0.954 411 F CB 1.673 40.709 39.000 0.061 0.000 1.267 411 F HN 0.104 nan 8.300 nan 0.000 0.444 412 T N -3.477 111.167 114.554 0.150 0.000 3.113 412 T HA 0.034 4.502 4.350 0.196 0.000 0.256 412 T C 0.056 174.804 174.700 0.080 0.000 1.131 412 T CA 0.090 62.230 62.100 0.066 0.000 1.074 412 T CB -0.503 68.375 68.868 0.016 0.000 0.944 412 T HN 0.300 nan 8.240 nan 0.000 0.516 413 D N 2.132 122.608 120.400 0.127 0.000 2.348 413 D HA 0.290 5.048 4.640 0.196 0.000 0.259 413 D C -0.154 176.199 176.300 0.089 0.000 1.296 413 D CA -0.051 54.010 54.000 0.101 0.000 0.931 413 D CB 0.205 41.077 40.800 0.120 0.000 1.067 413 D HN 0.497 nan 8.370 nan 0.000 0.503 414 I N 1.997 122.605 120.570 0.062 0.000 2.371 414 I HA 0.102 4.390 4.170 0.196 0.000 0.290 414 I C 0.061 176.202 176.117 0.041 0.000 1.028 414 I CA -0.718 60.612 61.300 0.050 0.000 1.345 414 I CB 1.259 39.278 38.000 0.032 0.000 1.407 414 I HN -0.044 nan 8.210 nan 0.000 0.501 415 V N 5.560 125.499 119.914 0.042 0.000 2.294 415 V HA 0.126 4.364 4.120 0.196 0.000 0.272 415 V C 0.317 176.381 176.094 -0.049 0.000 1.027 415 V CA -0.519 61.791 62.300 0.017 0.000 0.823 415 V CB 0.928 32.784 31.823 0.055 0.000 1.030 415 V HN 0.726 nan 8.190 nan 0.000 0.457 416 T N 4.906 119.416 114.554 -0.073 0.000 2.961 416 T HA 0.152 4.620 4.350 0.196 0.000 0.270 416 T C 0.244 174.808 174.700 -0.228 0.000 0.926 416 T CA 0.035 62.056 62.100 -0.131 0.000 1.112 416 T CB 0.046 68.861 68.868 -0.088 0.000 0.926 416 T HN 0.342 nan 8.240 nan 0.000 0.612 417 V N 5.175 124.847 119.914 -0.405 0.000 2.372 417 V HA 0.177 4.415 4.120 0.196 0.000 0.261 417 V C 0.646 176.403 176.094 -0.562 0.000 1.055 417 V CA -0.583 61.374 62.300 -0.573 0.000 0.930 417 V CB 0.638 31.924 31.823 -0.894 0.000 1.031 417 V HN 0.762 nan 8.190 nan 0.000 0.479 418 Q N 3.920 123.513 119.800 -0.346 0.000 2.340 418 Q HA 0.526 4.984 4.340 0.196 0.000 0.249 418 Q C -1.194 174.673 176.000 -0.221 0.000 0.957 418 Q CA -0.284 55.372 55.803 -0.244 0.000 0.882 418 Q CB 1.624 30.250 28.738 -0.186 0.000 1.235 418 Q HN 0.564 nan 8.270 nan 0.000 0.439 419 V N 5.147 124.978 119.914 -0.139 0.000 2.577 419 V HA 0.396 4.634 4.120 0.196 0.000 0.303 419 V C -0.789 175.224 176.094 -0.135 0.000 1.042 419 V CA -0.673 61.576 62.300 -0.086 0.000 0.872 419 V CB 1.708 33.570 31.823 0.065 0.000 0.998 419 V HN 0.704 nan 8.190 nan 0.000 0.423 420 L N 6.329 127.424 121.223 -0.213 0.000 2.343 420 L HA 0.486 4.944 4.340 0.196 0.000 0.278 420 L C -2.568 174.206 176.870 -0.160 0.000 0.996 420 L CA -1.848 52.833 54.840 -0.265 0.000 0.831 420 L CB 2.336 44.045 42.059 -0.583 0.000 1.232 420 L HN 0.391 nan 8.230 nan 0.000 0.413 421 P HA -0.050 nan 4.420 nan 0.000 0.257 421 P C -0.712 176.570 177.300 -0.030 0.000 1.227 421 P CA 0.231 63.303 63.100 -0.047 0.000 0.981 421 P CB 0.113 31.790 31.700 -0.038 0.000 1.044 422 Q N 3.088 122.887 119.800 -0.000 0.000 2.406 422 Q HA 0.293 4.751 4.340 0.196 0.000 0.242 422 Q C -1.124 174.890 176.000 0.023 0.000 1.036 422 Q CA -0.235 55.594 55.803 0.043 0.000 0.904 422 Q CB 0.176 28.984 28.738 0.116 0.000 1.244 422 Q HN 0.382 nan 8.270 nan 0.000 0.478 423 c N 4.948 123.553 118.600 0.009 0.000 3.392 423 c HA 0.475 5.163 4.570 0.196 0.000 0.217 423 c C -0.955 173.124 174.090 -0.017 0.000 1.222 423 c CA -0.612 55.712 56.329 -0.009 0.000 1.200 423 c CB -0.038 42.461 42.510 -0.019 0.000 1.818 423 c HN 0.771 nan 8.230 nan 0.000 0.586 424 E N 0.318 120.509 120.200 -0.015 0.000 2.422 424 E HA 0.557 5.025 4.350 0.196 0.000 0.280 424 E C -1.262 175.322 176.600 -0.027 0.000 1.091 424 E CA -0.265 56.119 56.400 -0.026 0.000 0.849 424 E CB 1.791 31.483 29.700 -0.014 0.000 1.353 424 E HN 0.596 nan 8.360 nan 0.000 0.449 425 c N -0.082 118.494 118.600 -0.041 0.000 2.811 425 c HA 0.779 5.466 4.570 0.196 0.000 0.352 425 c C -0.546 173.529 174.090 -0.025 0.000 1.098 425 c CA -0.992 55.317 56.329 -0.033 0.000 1.295 425 c CB 1.649 44.129 42.510 -0.051 0.000 1.758 425 c HN 0.631 nan 8.230 nan 0.000 0.488 426 R N 2.298 122.795 120.500 -0.006 0.000 2.476 426 R HA 0.686 5.144 4.340 0.196 0.000 0.305 426 R C -0.476 175.832 176.300 0.014 0.000 0.965 426 R CA -0.165 55.937 56.100 0.003 0.000 0.867 426 R CB 1.624 31.925 30.300 0.002 0.000 1.176 426 R HN 1.060 nan 8.270 nan 0.000 0.447 427 c N 2.568 121.182 118.600 0.022 0.000 3.120 427 c HA 0.505 5.193 4.570 0.196 0.000 0.222 427 c C 0.668 174.778 174.090 0.032 0.000 2.428 427 c CA -0.113 56.235 56.329 0.032 0.000 1.422 427 c CB 0.457 42.995 42.510 0.047 0.000 1.236 427 c HN 0.769 nan 8.230 nan 0.000 0.746 428 R N 0.422 120.947 120.500 0.043 0.000 3.041 428 R HA 0.469 4.927 4.340 0.196 0.000 0.254 428 R C -1.947 174.384 176.300 0.051 0.000 1.244 428 R CA -0.242 55.884 56.100 0.044 0.000 1.023 428 R CB 1.618 31.948 30.300 0.050 0.000 1.332 428 R HN 0.639 nan 8.270 nan 0.000 0.463 429 D N -1.458 118.973 120.400 0.051 0.000 2.744 429 D HA 0.002 4.760 4.640 0.196 0.000 0.304 429 D C -0.606 175.734 176.300 0.067 0.000 1.179 429 D CA -0.612 53.415 54.000 0.046 0.000 1.024 429 D CB 0.440 41.247 40.800 0.013 0.000 1.453 429 D HN 0.510 nan 8.370 nan 0.000 0.529 430 Q N -0.450 119.382 119.800 0.053 0.000 2.212 430 Q HA 0.191 4.649 4.340 0.196 0.000 0.213 430 Q C 0.370 176.396 176.000 0.044 0.000 0.874 430 Q CA 0.051 55.900 55.803 0.076 0.000 0.965 430 Q CB -0.008 28.778 28.738 0.080 0.000 1.074 430 Q HN 0.378 nan 8.270 nan 0.000 0.473 431 S N 0.085 115.803 115.700 0.030 0.000 2.470 431 S HA 0.053 4.640 4.470 0.196 0.000 0.222 431 S C 0.967 175.581 174.600 0.024 0.000 1.024 431 S CA -0.137 58.076 58.200 0.022 0.000 0.931 431 S CB 0.026 63.234 63.200 0.014 0.000 0.791 431 S HN 0.296 nan 8.310 nan 0.000 0.513 432 R N 2.627 123.145 120.500 0.030 0.000 2.196 432 R HA 0.312 4.769 4.340 0.196 0.000 0.340 432 R C -1.263 175.055 176.300 0.030 0.000 1.043 432 R CA 0.061 56.178 56.100 0.027 0.000 0.883 432 R CB -1.357 28.960 30.300 0.028 0.000 1.078 432 R HN 0.133 nan 8.270 nan 0.000 0.462 433 D N 3.572 123.986 120.400 0.023 0.000 3.061 433 D HA -0.135 4.622 4.640 0.196 0.000 0.252 433 D C -0.154 176.157 176.300 0.020 0.000 1.080 433 D CA 0.518 54.528 54.000 0.017 0.000 0.871 433 D CB -0.466 40.341 40.800 0.012 0.000 1.018 433 D HN 0.756 nan 8.370 nan 0.000 0.425 434 R N -0.020 120.493 120.500 0.021 0.000 2.313 434 R HA 0.024 4.482 4.340 0.196 0.000 0.199 434 R C 2.050 178.357 176.300 0.011 0.000 0.958 434 R CA 0.914 57.026 56.100 0.020 0.000 1.047 434 R CB 0.217 30.530 30.300 0.022 0.000 0.955 434 R HN 0.450 nan 8.270 nan 0.000 0.481 435 S N 0.779 116.485 115.700 0.009 0.000 2.311 435 S HA -0.003 4.584 4.470 0.196 0.000 0.209 435 S C 1.143 175.740 174.600 -0.005 0.000 1.029 435 S CA 0.023 58.232 58.200 0.015 0.000 0.968 435 S CB -0.491 62.719 63.200 0.017 0.000 0.946 435 S HN 0.072 nan 8.310 nan 0.000 0.450 436 L N 1.182 122.383 121.223 -0.036 0.000 2.489 436 L HA 0.019 4.477 4.340 0.196 0.000 0.285 436 L C 0.913 177.697 176.870 -0.144 0.000 1.259 436 L CA 0.014 54.788 54.840 -0.110 0.000 0.828 436 L CB -0.437 41.571 42.059 -0.085 0.000 1.094 436 L HN 0.789 nan 8.230 nan 0.000 0.524 437 c N 0.112 118.559 118.600 -0.255 0.000 4.392 437 c HA -0.190 4.498 4.570 0.196 0.000 0.280 437 c C 1.009 174.998 174.090 -0.168 0.000 1.381 437 c CA 0.457 56.650 56.329 -0.226 0.000 1.871 437 c CB -3.340 39.083 42.510 -0.146 0.000 1.323 437 c HN 1.094 nan 8.230 nan 0.000 0.772 438 H N -1.403 117.625 119.070 -0.069 0.000 2.529 438 H HA -0.117 4.557 4.556 0.196 0.000 0.319 438 H C 1.485 176.740 175.328 -0.121 0.000 1.072 438 H CA 1.084 57.083 56.048 -0.081 0.000 1.126 438 H CB -1.118 28.597 29.762 -0.078 0.000 1.474 438 H HN 1.505 nan 8.280 nan 0.000 0.406 439 G N -0.268 108.527 108.800 -0.008 0.000 2.377 439 G HA2 -0.397 3.681 3.960 0.196 0.000 0.250 439 G HA3 -0.397 3.681 3.960 0.196 0.000 0.250 439 G C 0.744 175.588 174.900 -0.093 0.000 1.039 439 G CA 0.647 45.726 45.100 -0.036 0.000 0.625 439 G HN 0.351 nan 8.290 nan 0.000 0.526 440 K N 1.714 121.986 120.400 -0.214 0.000 2.997 440 K HA 0.574 5.012 4.320 0.196 0.000 0.249 440 K C 0.631 177.116 176.600 -0.191 0.000 1.284 440 K CA 0.600 56.674 56.287 -0.355 0.000 1.245 440 K CB 0.199 32.024 32.500 -1.125 0.000 1.670 440 K HN 1.277 nan 8.250 nan 0.000 0.385 441 G N 0.780 109.551 108.800 -0.049 0.000 2.340 441 G HA2 0.303 4.380 3.960 0.196 0.000 0.298 441 G HA3 0.303 4.380 3.960 0.196 0.000 0.298 441 G C -1.238 173.698 174.900 0.060 0.000 1.498 441 G CA -1.073 44.025 45.100 -0.002 0.000 0.847 441 G HN 0.131 nan 8.290 nan 0.000 0.594 442 F N -0.767 119.175 119.950 -0.014 0.000 2.518 442 F HA 0.926 5.571 4.527 0.196 0.000 0.338 442 F C -0.344 175.452 175.800 -0.006 0.000 1.065 442 F CA -1.599 56.395 58.000 -0.010 0.000 1.012 442 F CB 1.726 40.723 39.000 -0.004 0.000 1.297 442 F HN 0.523 nan 8.300 nan 0.000 0.489 443 L N 1.296 122.603 121.223 0.140 0.000 2.362 443 L HA 0.616 5.073 4.340 0.196 0.000 0.271 443 L C -1.498 175.454 176.870 0.136 0.000 1.002 443 L CA -0.556 54.305 54.840 0.035 0.000 0.818 443 L CB 1.872 43.950 42.059 0.032 0.000 1.298 443 L HN 0.859 nan 8.230 nan 0.000 0.420 444 E N 3.909 124.154 120.200 0.076 0.000 2.343 444 E HA 0.295 4.763 4.350 0.196 0.000 0.260 444 E C -0.729 175.923 176.600 0.087 0.000 0.908 444 E CA -0.403 56.061 56.400 0.106 0.000 0.814 444 E CB 0.965 30.748 29.700 0.140 0.000 1.302 444 E HN 0.736 nan 8.360 nan 0.000 0.408 445 c N 4.261 122.916 118.600 0.093 0.000 4.056 445 c HA 0.066 4.754 4.570 0.196 0.000 0.302 445 c C 1.483 175.662 174.090 0.149 0.000 1.356 445 c CA 1.216 57.619 56.329 0.124 0.000 2.074 445 c CB -2.280 40.332 42.510 0.169 0.000 1.328 445 c HN 1.283 nan 8.230 nan 0.000 0.684 446 G N 0.406 109.262 108.800 0.095 0.000 4.794 446 G HA2 -0.239 3.838 3.960 0.196 0.000 0.275 446 G HA3 -0.239 3.838 3.960 0.196 0.000 0.275 446 G C 0.217 175.155 174.900 0.063 0.000 1.648 446 G CA 0.373 45.520 45.100 0.079 0.000 1.154 446 G HN 1.892 nan 8.290 nan 0.000 0.680 447 I N 0.470 121.102 120.570 0.104 0.000 3.205 447 I HA 0.416 4.703 4.170 0.196 0.000 0.287 447 I C 0.338 176.439 176.117 -0.026 0.000 1.266 447 I CA -0.155 61.182 61.300 0.062 0.000 1.378 447 I CB 0.172 38.256 38.000 0.139 0.000 1.347 447 I HN 0.463 nan 8.210 nan 0.000 0.603 448 c N 3.642 122.188 118.600 -0.090 0.000 2.369 448 c HA 0.508 5.195 4.570 0.196 0.000 0.322 448 c C 0.147 174.052 174.090 -0.308 0.000 1.258 448 c CA -0.698 55.502 56.329 -0.214 0.000 1.487 448 c CB 0.639 43.043 42.510 -0.177 0.000 2.165 448 c HN 0.724 nan 8.230 nan 0.000 0.483 449 R N 1.972 122.098 120.500 -0.623 0.000 2.205 449 R HA 0.433 4.891 4.340 0.196 0.000 0.342 449 R C -0.246 175.701 176.300 -0.589 0.000 1.058 449 R CA -0.260 55.471 56.100 -0.616 0.000 0.904 449 R CB 0.346 30.214 30.300 -0.721 0.000 1.089 449 R HN 0.743 nan 8.270 nan 0.000 0.471 450 c N 1.735 120.208 118.600 -0.211 0.000 2.560 450 c HA 0.170 4.858 4.570 0.196 0.000 0.334 450 c C 1.004 175.145 174.090 0.085 0.000 1.404 450 c CA -0.751 55.550 56.329 -0.046 0.000 2.410 450 c CB 0.233 42.772 42.510 0.049 0.000 2.268 450 c HN 0.693 nan 8.230 nan 0.000 0.673 451 D N 0.395 120.910 120.400 0.191 0.000 2.376 451 D HA 0.163 4.920 4.640 0.196 0.000 0.268 451 D C 1.474 177.873 176.300 0.165 0.000 1.252 451 D CA 0.263 54.396 54.000 0.223 0.000 1.041 451 D CB -0.217 40.765 40.800 0.303 0.000 1.109 451 D HN 0.738 nan 8.370 nan 0.000 0.552 452 T N -3.067 111.563 114.554 0.127 0.000 2.788 452 T HA -0.036 4.432 4.350 0.196 0.000 0.268 452 T C 1.681 176.395 174.700 0.024 0.000 1.044 452 T CA 1.102 63.242 62.100 0.068 0.000 1.139 452 T CB -0.498 68.400 68.868 0.049 0.000 0.867 452 T HN 0.442 nan 8.240 nan 0.000 0.454 453 G N -0.896 107.896 108.800 -0.013 0.000 2.921 453 G HA2 0.333 4.411 3.960 0.196 0.000 0.213 453 G HA3 0.333 4.411 3.960 0.196 0.000 0.213 453 G C -0.193 174.531 174.900 -0.293 0.000 1.143 453 G CA -0.483 44.508 45.100 -0.181 0.000 0.764 453 G HN 0.513 nan 8.290 nan 0.000 0.542 454 Y N 0.125 120.442 120.300 0.027 0.000 2.387 454 Y HA 0.658 5.326 4.550 0.196 0.000 0.336 454 Y C 0.059 175.967 175.900 0.012 0.000 1.067 454 Y CA -1.030 57.085 58.100 0.024 0.000 1.114 454 Y CB 1.825 40.303 38.460 0.030 0.000 1.208 454 Y HN -0.170 nan 8.280 nan 0.000 0.458 455 I N 1.246 121.913 120.570 0.162 0.000 3.006 455 I HA 0.751 5.039 4.170 0.196 0.000 0.306 455 I C 0.055 176.215 176.117 0.071 0.000 1.250 455 I CA -0.719 60.632 61.300 0.084 0.000 0.996 455 I CB 1.837 39.864 38.000 0.046 0.000 1.261 455 I HN 0.720 nan 8.210 nan 0.000 0.442 456 G N 3.515 112.335 108.800 0.034 0.000 2.362 456 G HA2 -0.046 4.032 3.960 0.196 0.000 0.656 456 G HA3 -0.046 4.032 3.960 0.196 0.000 0.656 456 G C -0.040 174.856 174.900 -0.006 0.000 1.376 456 G CA -0.209 44.903 45.100 0.020 0.000 0.971 456 G HN 0.873 nan 8.290 nan 0.000 0.636 457 K N -0.979 119.414 120.400 -0.012 0.000 2.555 457 K HA 0.106 4.543 4.320 0.196 0.000 0.193 457 K C 0.561 177.128 176.600 -0.056 0.000 1.032 457 K CA 1.161 57.434 56.287 -0.023 0.000 1.004 457 K CB 0.151 32.644 32.500 -0.011 0.000 0.804 457 K HN 0.245 nan 8.250 nan 0.000 0.496 458 N N 0.327 118.982 118.700 -0.076 0.000 2.471 458 N HA 0.085 4.942 4.740 0.196 0.000 0.270 458 N C -0.850 174.557 175.510 -0.171 0.000 1.490 458 N CA -0.122 52.832 53.050 -0.160 0.000 0.850 458 N CB 0.578 38.929 38.487 -0.225 0.000 1.411 458 N HN 0.174 nan 8.380 nan 0.000 0.488 459 c N 2.134 120.695 118.600 -0.065 0.000 4.185 459 c HA -0.149 4.538 4.570 0.196 0.000 0.297 459 c C 2.072 176.224 174.090 0.103 0.000 1.463 459 c CA 1.282 57.614 56.329 0.006 0.000 2.032 459 c CB -1.708 40.758 42.510 -0.074 0.000 1.282 459 c HN 0.591 nan 8.230 nan 0.000 0.770 460 E N -0.515 119.769 120.200 0.139 0.000 2.075 460 E HA -0.029 4.439 4.350 0.196 0.000 0.190 460 E C 1.108 177.840 176.600 0.221 0.000 0.969 460 E CA 1.083 57.677 56.400 0.324 0.000 0.815 460 E CB -0.367 29.508 29.700 0.291 0.000 0.776 460 E HN 0.696 nan 8.360 nan 0.000 0.457 461 c N 1.055 119.748 118.600 0.154 0.000 2.470 461 c HA 0.493 5.181 4.570 0.196 0.000 0.350 461 c C 0.376 174.549 174.090 0.138 0.000 1.341 461 c CA -0.428 55.973 56.329 0.119 0.000 2.440 461 c CB 0.722 43.277 42.510 0.074 0.000 2.295 461 c HN 0.510 nan 8.230 nan 0.000 0.645 462 Q N -0.574 119.272 119.800 0.077 0.000 2.413 462 Q HA 0.340 4.798 4.340 0.196 0.000 0.276 462 Q C 0.234 176.236 176.000 0.004 0.000 1.099 462 Q CA -0.210 55.607 55.803 0.022 0.000 0.814 462 Q CB 1.620 30.352 28.738 -0.011 0.000 1.379 462 Q HN 0.847 nan 8.270 nan 0.000 0.436 463 T N 0.077 114.619 114.554 -0.020 0.000 3.584 463 T HA 0.108 4.576 4.350 0.196 0.000 0.252 463 T C -0.021 174.672 174.700 -0.013 0.000 1.103 463 T CA 0.274 62.367 62.100 -0.011 0.000 0.977 463 T CB -0.151 68.708 68.868 -0.016 0.000 1.044 463 T HN 0.504 nan 8.240 nan 0.000 0.589 464 Q N 0.834 120.626 119.800 -0.013 0.000 3.605 464 Q HA 0.499 4.957 4.340 0.196 0.000 0.222 464 Q C -0.217 175.783 176.000 -0.000 0.000 0.915 464 Q CA -0.743 55.055 55.803 -0.009 0.000 0.731 464 Q CB 1.219 29.944 28.738 -0.021 0.000 1.423 464 Q HN 0.607 nan 8.270 nan 0.000 0.446 465 G N 2.310 111.114 108.800 0.007 0.000 2.768 465 G HA2 -0.100 3.978 3.960 0.196 0.000 0.666 465 G HA3 -0.100 3.978 3.960 0.196 0.000 0.666 465 G C -0.932 173.977 174.900 0.014 0.000 1.162 465 G CA -0.922 44.184 45.100 0.010 0.000 1.226 465 G HN 0.253 nan 8.290 nan 0.000 0.535 466 R N 0.081 120.591 120.500 0.016 0.000 2.634 466 R HA 0.792 5.250 4.340 0.196 0.000 0.263 466 R C -0.791 175.520 176.300 0.018 0.000 1.060 466 R CA -0.441 55.670 56.100 0.018 0.000 0.898 466 R CB 2.241 32.554 30.300 0.022 0.000 1.253 466 R HN 0.991 nan 8.270 nan 0.000 0.461 467 S N 0.090 115.800 115.700 0.016 0.000 2.686 467 S HA 0.452 5.040 4.470 0.196 0.000 0.273 467 S C -1.290 173.319 174.600 0.014 0.000 1.060 467 S CA -0.934 57.276 58.200 0.016 0.000 0.845 467 S CB 1.819 65.028 63.200 0.016 0.000 1.086 467 S HN 0.551 nan 8.310 nan 0.000 0.461 468 S N 0.120 115.828 115.700 0.013 0.000 2.851 468 S HA 0.513 5.100 4.470 0.196 0.000 0.313 468 S C 0.641 175.248 174.600 0.012 0.000 1.163 468 S CA -0.761 57.446 58.200 0.012 0.000 0.850 468 S CB 1.764 64.971 63.200 0.012 0.000 1.245 468 S HN 0.829 nan 8.310 nan 0.000 0.558 469 Q N 0.788 120.594 119.800 0.010 0.000 1.940 469 Q HA 0.166 4.623 4.340 0.196 0.000 0.200 469 Q C 0.726 176.732 176.000 0.011 0.000 0.977 469 Q CA 1.102 56.911 55.803 0.010 0.000 0.841 469 Q CB -0.207 28.535 28.738 0.008 0.000 0.901 469 Q HN 0.677 nan 8.270 nan 0.000 0.446 470 E N 0.449 120.655 120.200 0.010 0.000 2.445 470 E HA 0.050 4.518 4.350 0.196 0.000 0.189 470 E C 1.618 178.225 176.600 0.012 0.000 1.069 470 E CA -0.222 56.184 56.400 0.010 0.000 0.871 470 E CB 0.246 29.951 29.700 0.007 0.000 0.991 470 E HN 0.458 nan 8.360 nan 0.000 0.481 471 L N 0.463 121.693 121.223 0.012 0.000 2.362 471 L HA -0.121 4.336 4.340 0.196 0.000 0.219 471 L C 1.365 178.245 176.870 0.015 0.000 1.134 471 L CA 1.015 55.861 54.840 0.011 0.000 0.807 471 L CB -0.167 41.898 42.059 0.010 0.000 0.927 471 L HN 0.108 nan 8.230 nan 0.000 0.447 472 E N 0.006 120.218 120.200 0.020 0.000 2.438 472 E HA -0.023 4.445 4.350 0.196 0.000 0.192 472 E C 1.828 178.452 176.600 0.041 0.000 1.110 472 E CA 0.242 56.660 56.400 0.030 0.000 0.893 472 E CB 0.073 29.789 29.700 0.026 0.000 0.990 472 E HN 0.464 nan 8.360 nan 0.000 0.490 473 G N 1.123 109.944 108.800 0.035 0.000 2.496 473 G HA2 -0.246 3.832 3.960 0.196 0.000 0.214 473 G HA3 -0.246 3.832 3.960 0.196 0.000 0.214 473 G C 1.481 176.426 174.900 0.074 0.000 1.234 473 G CA 0.442 45.566 45.100 0.040 0.000 0.807 473 G HN 0.294 nan 8.290 nan 0.000 0.543 474 S N -1.100 114.644 115.700 0.074 0.000 2.650 474 S HA -0.003 4.585 4.470 0.196 0.000 0.219 474 S C 1.768 176.458 174.600 0.150 0.000 0.960 474 S CA 0.451 58.726 58.200 0.125 0.000 0.925 474 S CB -0.638 62.587 63.200 0.043 0.000 0.775 474 S HN 0.392 nan 8.310 nan 0.000 0.525 475 c N 2.285 120.959 118.600 0.123 0.000 2.618 475 c HA 0.355 5.043 4.570 0.196 0.000 0.264 475 c C 0.928 175.188 174.090 0.283 0.000 1.334 475 c CA -0.367 56.028 56.329 0.111 0.000 1.731 475 c CB -1.349 41.191 42.510 0.051 0.000 1.852 475 c HN 0.674 nan 8.230 nan 0.000 0.566 476 R N -0.054 120.627 120.500 0.302 0.000 2.575 476 R HA 0.400 4.858 4.340 0.196 0.000 0.293 476 R C 0.829 177.065 176.300 -0.106 0.000 0.983 476 R CA -0.574 55.622 56.100 0.161 0.000 0.887 476 R CB 0.736 31.060 30.300 0.040 0.000 1.184 476 R HN 0.258 nan 8.270 nan 0.000 0.445 477 K N 0.874 120.833 120.400 -0.735 0.000 2.074 477 K HA -0.175 4.262 4.320 0.196 0.000 0.209 477 K C -0.357 176.035 176.600 -0.347 0.000 1.048 477 K CA 1.787 57.481 56.287 -0.988 0.000 0.926 477 K CB -0.315 31.621 32.500 -0.941 0.000 0.713 477 K HN 0.796 nan 8.250 nan 0.000 0.444 478 D N -1.328 118.941 120.400 -0.218 0.000 2.652 478 D HA 0.120 4.878 4.640 0.196 0.000 0.285 478 D C -0.256 176.002 176.300 -0.070 0.000 1.173 478 D CA -0.920 53.012 54.000 -0.114 0.000 0.981 478 D CB 0.396 41.134 40.800 -0.103 0.000 1.440 478 D HN -0.029 nan 8.370 nan 0.000 0.485 479 N N -0.433 118.240 118.700 -0.045 0.000 2.396 479 N HA -0.031 4.827 4.740 0.196 0.000 0.180 479 N C 0.040 175.533 175.510 -0.028 0.000 1.028 479 N CA 0.489 53.522 53.050 -0.028 0.000 0.893 479 N CB -0.439 38.036 38.487 -0.020 0.000 0.967 479 N HN 0.292 nan 8.380 nan 0.000 0.440 480 N N -0.461 118.217 118.700 -0.036 0.000 2.376 480 N HA 0.086 4.943 4.740 0.196 0.000 0.249 480 N C -0.881 174.605 175.510 -0.040 0.000 1.140 480 N CA -0.037 52.993 53.050 -0.032 0.000 0.870 480 N CB 0.475 38.945 38.487 -0.029 0.000 1.124 480 N HN 0.063 nan 8.380 nan 0.000 0.505 481 S N 0.043 115.714 115.700 -0.048 0.000 2.513 481 S HA 0.493 5.080 4.470 0.196 0.000 0.299 481 S C -0.172 174.409 174.600 -0.033 0.000 1.087 481 S CA -0.854 57.312 58.200 -0.056 0.000 1.012 481 S CB 1.008 64.145 63.200 -0.104 0.000 1.044 481 S HN 0.246 nan 8.310 nan 0.000 0.485 482 I N 4.780 125.337 120.570 -0.022 0.000 2.754 482 I HA 0.285 4.573 4.170 0.196 0.000 0.285 482 I C -0.087 176.035 176.117 0.009 0.000 1.166 482 I CA -0.598 60.700 61.300 -0.004 0.000 1.417 482 I CB 0.437 38.437 38.000 0.001 0.000 1.382 482 I HN 0.664 nan 8.210 nan 0.000 0.588 483 I N 7.070 127.653 120.570 0.020 0.000 2.683 483 I HA -0.107 4.181 4.170 0.196 0.000 0.286 483 I C 1.032 177.172 176.117 0.039 0.000 1.175 483 I CA -0.004 61.318 61.300 0.037 0.000 1.429 483 I CB -0.002 38.017 38.000 0.032 0.000 1.371 483 I HN 0.864 nan 8.210 nan 0.000 0.569 484 c N 4.384 123.026 118.600 0.069 0.000 4.297 484 c HA -0.227 4.461 4.570 0.196 0.000 0.290 484 c C 1.431 175.539 174.090 0.030 0.000 1.444 484 c CA 0.650 57.007 56.329 0.047 0.000 1.982 484 c CB -3.291 39.199 42.510 -0.033 0.000 1.276 484 c HN 1.076 nan 8.230 nan 0.000 0.797 485 S N -1.562 114.162 115.700 0.039 0.000 3.477 485 S HA -0.027 4.561 4.470 0.196 0.000 0.357 485 S C 1.110 175.712 174.600 0.002 0.000 1.083 485 S CA 1.366 59.572 58.200 0.010 0.000 1.042 485 S CB -1.538 61.667 63.200 0.009 0.000 0.911 485 S HN 2.622 nan 8.310 nan 0.000 0.490 486 G N 0.268 109.074 108.800 0.010 0.000 2.907 486 G HA2 -0.136 3.942 3.960 0.196 0.000 0.242 486 G HA3 -0.136 3.942 3.960 0.196 0.000 0.242 486 G C 0.095 175.004 174.900 0.015 0.000 1.448 486 G CA -0.345 44.773 45.100 0.029 0.000 0.911 486 G HN 1.517 nan 8.290 nan 0.000 0.553 487 L N -2.157 119.129 121.223 0.104 0.000 3.839 487 L HA -0.081 4.377 4.340 0.196 0.000 0.416 487 L C 1.006 177.707 176.870 -0.281 0.000 1.195 487 L CA 1.114 56.046 54.840 0.153 0.000 0.946 487 L CB -1.896 40.200 42.059 0.063 0.000 1.891 487 L HN 2.258 nan 8.230 nan 0.000 0.963 488 G N 0.121 108.548 108.800 -0.623 0.000 2.617 488 G HA2 0.502 4.579 3.960 0.196 0.000 0.305 488 G HA3 0.502 4.579 3.960 0.196 0.000 0.305 488 G C -1.400 173.250 174.900 -0.416 0.000 1.436 488 G CA -0.359 44.272 45.100 -0.782 0.000 1.036 488 G HN 0.186 nan 8.290 nan 0.000 0.589 489 D N 0.198 120.409 120.400 -0.316 0.000 2.280 489 D HA 0.436 5.194 4.640 0.196 0.000 0.236 489 D C 0.380 176.662 176.300 -0.031 0.000 1.082 489 D CA -0.680 53.309 54.000 -0.019 0.000 0.834 489 D CB 1.483 42.373 40.800 0.150 0.000 1.100 489 D HN 0.423 nan 8.370 nan 0.000 0.486 490 c N 3.121 121.713 118.600 -0.013 0.000 2.632 490 c HA 0.543 5.230 4.570 0.196 0.000 0.415 490 c C -0.261 173.829 174.090 -0.000 0.000 1.332 490 c CA -0.072 56.249 56.329 -0.013 0.000 1.874 490 c CB -0.874 41.637 42.510 0.000 0.000 2.596 490 c HN 0.505 nan 8.230 nan 0.000 0.590 491 V N 6.321 126.232 119.914 -0.005 0.000 2.612 491 V HA 0.364 4.601 4.120 0.196 0.000 0.301 491 V C 0.256 176.352 176.094 0.003 0.000 1.059 491 V CA -0.608 61.695 62.300 0.005 0.000 0.886 491 V CB 1.216 33.045 31.823 0.010 0.000 1.007 491 V HN 1.149 nan 8.190 nan 0.000 0.426 492 c N 4.948 123.554 118.600 0.009 0.000 4.209 492 c HA -0.074 4.614 4.570 0.196 0.000 0.305 492 c C 1.819 175.908 174.090 -0.002 0.000 1.339 492 c CA 1.513 57.848 56.329 0.010 0.000 2.062 492 c CB -1.908 40.612 42.510 0.017 0.000 1.307 492 c HN 2.048 nan 8.230 nan 0.000 0.706 493 G N -0.387 108.411 108.800 -0.004 0.000 2.640 493 G HA2 -0.312 3.765 3.960 0.196 0.000 0.226 493 G HA3 -0.312 3.765 3.960 0.196 0.000 0.226 493 G C 0.098 174.980 174.900 -0.031 0.000 1.222 493 G CA 1.226 46.319 45.100 -0.011 0.000 0.729 493 G HN 1.253 nan 8.290 nan 0.000 0.516 494 Q N 0.282 120.055 119.800 -0.045 0.000 2.222 494 Q HA 0.685 5.142 4.340 0.196 0.000 0.211 494 Q C -0.175 175.781 176.000 -0.074 0.000 1.013 494 Q CA -0.371 55.383 55.803 -0.082 0.000 0.993 494 Q CB 1.179 29.873 28.738 -0.073 0.000 1.151 494 Q HN 0.414 nan 8.270 nan 0.000 0.544 495 c N 0.642 119.180 118.600 -0.103 0.000 2.435 495 c HA 0.581 5.269 4.570 0.196 0.000 0.333 495 c C -0.754 173.285 174.090 -0.085 0.000 1.202 495 c CA -0.719 55.556 56.329 -0.091 0.000 1.830 495 c CB 1.054 43.502 42.510 -0.105 0.000 2.326 495 c HN 0.765 nan 8.230 nan 0.000 0.507 496 L N 3.551 124.721 121.223 -0.088 0.000 2.356 496 L HA 0.466 4.924 4.340 0.196 0.000 0.264 496 L C -0.078 176.712 176.870 -0.133 0.000 1.029 496 L CA -0.052 54.743 54.840 -0.074 0.000 0.897 496 L CB -0.269 41.772 42.059 -0.030 0.000 1.256 496 L HN 0.854 nan 8.230 nan 0.000 0.444 497 c N 2.954 121.478 118.600 -0.127 0.000 2.502 497 c HA 0.031 4.718 4.570 0.196 0.000 0.404 497 c C 1.078 175.105 174.090 -0.106 0.000 1.409 497 c CA -0.078 56.153 56.329 -0.163 0.000 1.648 497 c CB -1.297 41.167 42.510 -0.077 0.000 2.571 497 c HN 0.729 nan 8.230 nan 0.000 0.601 498 H N 0.594 119.664 119.070 0.000 0.000 2.745 498 H HA 0.395 5.069 4.556 0.196 0.000 0.373 498 H C 0.826 176.158 175.328 0.005 0.000 1.226 498 H CA 0.360 56.409 56.048 0.002 0.000 1.435 498 H CB 0.486 30.248 29.762 0.000 0.000 1.461 498 H HN 0.768 nan 8.280 nan 0.000 0.616 499 T N -1.363 113.281 114.554 0.150 0.000 2.855 499 T HA 0.425 4.893 4.350 0.196 0.000 0.281 499 T C -0.169 174.566 174.700 0.060 0.000 1.007 499 T CA -1.083 61.065 62.100 0.080 0.000 1.009 499 T CB 1.663 70.565 68.868 0.057 0.000 0.983 499 T HN 0.432 nan 8.240 nan 0.000 0.455 500 S N 1.577 117.305 115.700 0.047 0.000 2.552 500 S HA 0.379 4.967 4.470 0.196 0.000 0.314 500 S C -0.410 174.205 174.600 0.026 0.000 1.099 500 S CA -0.828 57.392 58.200 0.032 0.000 1.070 500 S CB 0.497 63.716 63.200 0.032 0.000 0.998 500 S HN 0.825 nan 8.310 nan 0.000 0.474 501 D N 3.672 124.083 120.400 0.019 0.000 3.032 501 D HA 0.189 4.947 4.640 0.196 0.000 0.241 501 D C -0.207 176.101 176.300 0.014 0.000 1.196 501 D CA -0.214 53.796 54.000 0.016 0.000 0.927 501 D CB -0.225 40.582 40.800 0.012 0.000 1.129 501 D HN 0.154 nan 8.370 nan 0.000 0.458 502 V N 0.687 120.611 119.914 0.016 0.000 2.487 502 V HA 0.343 4.581 4.120 0.196 0.000 0.298 502 V C -2.178 173.924 176.094 0.014 0.000 1.028 502 V CA -2.130 60.178 62.300 0.013 0.000 0.860 502 V CB 1.904 33.735 31.823 0.012 0.000 0.991 502 V HN 0.061 nan 8.190 nan 0.000 0.427 503 P HA 0.121 nan 4.420 nan 0.000 0.257 503 P C 1.064 178.370 177.300 0.010 0.000 1.162 503 P CA 1.889 64.995 63.100 0.011 0.000 0.762 503 P CB 0.206 31.911 31.700 0.008 0.000 0.753 504 G N 2.541 111.348 108.800 0.012 0.000 2.579 504 G HA2 -0.303 3.774 3.960 0.196 0.000 0.222 504 G HA3 -0.303 3.774 3.960 0.196 0.000 0.222 504 G C 0.391 175.300 174.900 0.015 0.000 1.201 504 G CA 0.273 45.376 45.100 0.006 0.000 0.710 504 G HN 0.723 nan 8.290 nan 0.000 0.516 505 K N 0.732 121.143 120.400 0.018 0.000 2.543 505 K HA 0.381 4.819 4.320 0.196 0.000 0.279 505 K C -0.510 176.117 176.600 0.045 0.000 1.001 505 K CA 0.789 57.092 56.287 0.027 0.000 1.088 505 K CB 0.194 32.708 32.500 0.024 0.000 0.863 505 K HN 1.332 nan 8.250 nan 0.000 0.488 506 L N 6.107 127.369 121.223 0.065 0.000 2.751 506 L HA 0.393 4.851 4.340 0.196 0.000 0.261 506 L C -1.689 175.267 176.870 0.144 0.000 0.927 506 L CA -0.462 54.436 54.840 0.098 0.000 0.968 506 L CB 1.066 43.188 42.059 0.106 0.000 1.432 506 L HN 0.534 nan 8.230 nan 0.000 0.439 507 I N 5.066 125.691 120.570 0.091 0.000 2.577 507 I HA 0.578 4.866 4.170 0.196 0.000 0.300 507 I C -0.331 175.844 176.117 0.097 0.000 0.990 507 I CA -0.271 61.038 61.300 0.014 0.000 1.283 507 I CB 1.305 39.288 38.000 -0.029 0.000 1.411 507 I HN 0.830 nan 8.210 nan 0.000 0.515 508 Y N 1.018 121.281 120.300 -0.063 0.000 2.732 508 Y HA 0.704 5.371 4.550 0.196 0.000 0.342 508 Y C -0.462 175.408 175.900 -0.049 0.000 1.203 508 Y CA -1.004 57.040 58.100 -0.092 0.000 1.092 508 Y CB 0.991 39.346 38.460 -0.175 0.000 1.345 508 Y HN 0.964 nan 8.280 nan 0.000 0.458 509 G N 0.868 109.723 108.800 0.092 0.000 2.406 509 G HA2 -0.009 4.069 3.960 0.196 0.000 0.680 509 G HA3 -0.009 4.069 3.960 0.196 0.000 0.680 509 G C -0.427 174.442 174.900 -0.052 0.000 1.338 509 G CA -0.288 44.835 45.100 0.037 0.000 0.941 509 G HN 0.895 nan 8.290 nan 0.000 0.633 510 Q N -0.629 119.093 119.800 -0.129 0.000 2.096 510 Q HA -0.118 4.340 4.340 0.196 0.000 0.204 510 Q C 1.285 176.978 176.000 -0.512 0.000 0.982 510 Q CA 2.283 57.843 55.803 -0.405 0.000 0.850 510 Q CB -0.030 28.285 28.738 -0.705 0.000 0.901 510 Q HN 0.701 nan 8.270 nan 0.000 0.422 511 Y N -2.108 118.170 120.300 -0.036 0.000 2.636 511 Y HA 0.272 4.940 4.550 0.196 0.000 0.260 511 Y C 0.188 176.041 175.900 -0.079 0.000 1.177 511 Y CA -0.931 57.138 58.100 -0.051 0.000 1.209 511 Y CB 0.028 38.464 38.460 -0.041 0.000 1.166 511 Y HN 0.026 nan 8.280 nan 0.000 0.531 512 c N 2.874 121.470 118.600 -0.006 0.000 4.056 512 c HA -0.208 4.480 4.570 0.196 0.000 0.302 512 c C 1.878 175.919 174.090 -0.082 0.000 1.356 512 c CA 1.059 57.342 56.329 -0.076 0.000 2.074 512 c CB -1.674 40.778 42.510 -0.097 0.000 1.328 512 c HN 0.749 nan 8.230 nan 0.000 0.684 513 E N -1.564 118.586 120.200 -0.084 0.000 2.251 513 E HA 0.040 4.508 4.350 0.196 0.000 0.194 513 E C 0.666 177.159 176.600 -0.178 0.000 0.964 513 E CA 0.474 56.824 56.400 -0.084 0.000 0.868 513 E CB -0.077 29.611 29.700 -0.020 0.000 0.828 513 E HN 0.682 nan 8.360 nan 0.000 0.481 514 c N 3.311 121.695 118.600 -0.360 0.000 2.401 514 c HA 0.454 5.142 4.570 0.196 0.000 0.365 514 c C -0.163 173.497 174.090 -0.717 0.000 1.250 514 c CA -0.566 55.448 56.329 -0.526 0.000 2.131 514 c CB 0.342 42.458 42.510 -0.657 0.000 2.445 514 c HN 0.520 nan 8.230 nan 0.000 0.550 515 D N 0.097 120.317 120.400 -0.300 0.000 2.493 515 D HA 0.447 5.204 4.640 0.196 0.000 0.239 515 D C -0.279 176.086 176.300 0.108 0.000 1.049 515 D CA -0.509 53.440 54.000 -0.085 0.000 1.008 515 D CB 0.784 41.556 40.800 -0.047 0.000 1.398 515 D HN 0.459 nan 8.370 nan 0.000 0.513 516 T N -2.216 112.414 114.554 0.127 0.000 3.255 516 T HA 0.474 4.942 4.350 0.196 0.000 0.243 516 T C 0.717 175.391 174.700 -0.044 0.000 1.057 516 T CA -0.422 61.673 62.100 -0.009 0.000 1.121 516 T CB -1.134 67.681 68.868 -0.088 0.000 1.104 516 T HN 0.537 nan 8.240 nan 0.000 0.571 517 I N -3.645 116.915 120.570 -0.016 0.000 5.285 517 I HA 0.504 4.791 4.170 0.196 0.000 0.351 517 I C 0.054 176.170 176.117 -0.003 0.000 1.206 517 I CA -0.194 61.099 61.300 -0.012 0.000 1.527 517 I CB 0.089 38.089 38.000 -0.001 0.000 1.694 517 I HN 0.115 nan 8.210 nan 0.000 0.585 518 N N 1.838 120.539 118.700 0.002 0.000 3.322 518 N HA 0.411 5.269 4.740 0.196 0.000 0.290 518 N C -0.814 174.706 175.510 0.017 0.000 1.297 518 N CA -0.099 52.956 53.050 0.008 0.000 1.167 518 N CB -0.007 38.482 38.487 0.003 0.000 1.434 518 N HN 0.475 nan 8.380 nan 0.000 0.526 519 c N -0.523 118.090 118.600 0.021 0.000 3.188 519 c HA 0.469 5.157 4.570 0.196 0.000 0.379 519 c C 0.478 174.591 174.090 0.039 0.000 2.263 519 c CA -0.896 55.453 56.329 0.034 0.000 1.616 519 c CB 0.890 43.421 42.510 0.036 0.000 2.632 519 c HN 0.501 nan 8.230 nan 0.000 0.488 520 E N 0.734 120.964 120.200 0.050 0.000 2.283 520 E HA 0.334 4.802 4.350 0.196 0.000 0.278 520 E C -0.132 176.515 176.600 0.078 0.000 1.027 520 E CA -0.135 56.301 56.400 0.061 0.000 0.843 520 E CB 0.617 30.358 29.700 0.068 0.000 1.062 520 E HN 0.361 nan 8.360 nan 0.000 0.401 521 R N 2.204 122.753 120.500 0.082 0.000 2.517 521 R HA 0.376 4.833 4.340 0.196 0.000 0.250 521 R C -1.018 175.397 176.300 0.192 0.000 1.213 521 R CA -0.482 55.680 56.100 0.104 0.000 1.146 521 R CB 0.659 30.998 30.300 0.064 0.000 1.279 521 R HN 0.591 nan 8.270 nan 0.000 0.597 522 Y N 0.176 120.490 120.300 0.023 0.000 2.243 522 Y HA 0.024 4.692 4.550 0.196 0.000 0.315 522 Y C -1.016 174.900 175.900 0.026 0.000 1.286 522 Y CA -0.675 57.442 58.100 0.029 0.000 1.230 522 Y CB 0.694 39.178 38.460 0.041 0.000 1.295 522 Y HN 0.832 nan 8.280 nan 0.000 0.401 523 N N 4.261 122.761 118.700 -0.334 0.000 2.725 523 N HA -0.162 4.695 4.740 0.196 0.000 0.251 523 N C 0.548 176.045 175.510 -0.021 0.000 1.031 523 N CA 2.321 55.257 53.050 -0.190 0.000 0.720 523 N CB -1.123 37.300 38.487 -0.106 0.000 0.930 523 N HN 1.891 nan 8.380 nan 0.000 0.543 524 G N -0.521 108.268 108.800 -0.018 0.000 2.305 524 G HA2 -0.306 3.772 3.960 0.196 0.000 0.287 524 G HA3 -0.306 3.772 3.960 0.196 0.000 0.287 524 G C -0.292 174.630 174.900 0.036 0.000 1.036 524 G CA 0.913 46.018 45.100 0.008 0.000 0.887 524 G HN 0.747 nan 8.290 nan 0.000 0.505 525 Q N -1.552 118.291 119.800 0.070 0.000 2.379 525 Q HA 0.507 4.965 4.340 0.196 0.000 0.278 525 Q C 0.149 176.198 176.000 0.082 0.000 1.068 525 Q CA -0.861 54.987 55.803 0.075 0.000 0.816 525 Q CB 2.923 31.718 28.738 0.094 0.000 1.387 525 Q HN 0.706 nan 8.270 nan 0.000 0.413 526 V N -1.333 118.610 119.914 0.048 0.000 2.446 526 V HA 0.065 4.303 4.120 0.196 0.000 0.276 526 V C 0.575 176.689 176.094 0.033 0.000 1.030 526 V CA -0.486 61.834 62.300 0.035 0.000 1.033 526 V CB -0.070 31.757 31.823 0.007 0.000 0.993 526 V HN 1.069 nan 8.190 nan 0.000 0.477 527 c N 3.317 121.946 118.600 0.047 0.000 4.233 527 c HA -0.089 4.598 4.570 0.196 0.000 0.292 527 c C 1.664 175.758 174.090 0.005 0.000 1.469 527 c CA 1.167 57.514 56.329 0.031 0.000 2.013 527 c CB -2.303 40.210 42.510 0.006 0.000 1.282 527 c HN 2.685 nan 8.230 nan 0.000 0.796 528 G N -1.484 107.350 108.800 0.057 0.000 2.203 528 G HA2 0.403 4.480 3.960 0.196 0.000 0.231 528 G HA3 0.403 4.480 3.960 0.196 0.000 0.231 528 G C 0.964 175.877 174.900 0.021 0.000 1.058 528 G CA 0.542 45.659 45.100 0.028 0.000 0.781 528 G HN 2.799 nan 8.290 nan 0.000 0.496 529 G N -0.431 108.394 108.800 0.043 0.000 2.894 529 G HA2 0.069 4.147 3.960 0.196 0.000 0.247 529 G HA3 0.069 4.147 3.960 0.196 0.000 0.247 529 G C -0.533 174.368 174.900 0.002 0.000 1.442 529 G CA 0.312 45.426 45.100 0.022 0.000 0.897 529 G HN 0.844 nan 8.290 nan 0.000 0.550 530 P HA 0.004 nan 4.420 nan 0.000 0.223 530 P C 1.832 179.129 177.300 -0.005 0.000 1.151 530 P CA 1.941 65.051 63.100 0.017 0.000 0.787 530 P CB -0.229 31.472 31.700 0.002 0.000 0.788 531 G N 0.821 109.577 108.800 -0.073 0.000 2.454 531 G HA2 -0.169 3.909 3.960 0.196 0.000 0.214 531 G HA3 -0.169 3.909 3.960 0.196 0.000 0.214 531 G C 1.795 176.515 174.900 -0.300 0.000 1.217 531 G CA 0.398 45.388 45.100 -0.184 0.000 0.799 531 G HN 0.160 nan 8.290 nan 0.000 0.538 532 R N 0.137 120.465 120.500 -0.287 0.000 2.092 532 R HA 0.169 4.626 4.340 0.196 0.000 0.226 532 R C 1.559 177.715 176.300 -0.239 0.000 1.140 532 R CA 1.163 56.927 56.100 -0.561 0.000 0.910 532 R CB -0.508 29.577 30.300 -0.359 0.000 0.822 532 R HN 0.413 nan 8.270 nan 0.000 0.433 533 G N -1.072 107.679 108.800 -0.081 0.000 3.086 533 G HA2 0.631 4.709 3.960 0.196 0.000 0.282 533 G HA3 0.631 4.709 3.960 0.196 0.000 0.282 533 G C -1.447 173.411 174.900 -0.070 0.000 1.343 533 G CA -0.692 44.358 45.100 -0.084 0.000 0.895 533 G HN 0.028 nan 8.290 nan 0.000 0.557 534 L N -1.360 119.818 121.223 -0.076 0.000 2.277 534 L HA 0.632 5.089 4.340 0.196 0.000 0.254 534 L C -0.888 175.971 176.870 -0.018 0.000 1.044 534 L CA -0.941 53.876 54.840 -0.038 0.000 0.842 534 L CB 2.521 44.606 42.059 0.042 0.000 1.422 534 L HN 0.673 nan 8.230 nan 0.000 0.422 535 c N 0.770 119.233 118.600 -0.228 0.000 2.382 535 c HA 0.729 5.417 4.570 0.196 0.000 0.327 535 c C -1.112 172.655 174.090 -0.539 0.000 1.250 535 c CA -0.543 55.665 56.329 -0.201 0.000 1.707 535 c CB -0.064 42.360 42.510 -0.143 0.000 2.272 535 c HN 0.531 nan 8.230 nan 0.000 0.506 536 F N 4.695 124.711 119.950 0.111 0.000 3.164 536 F HA 0.328 4.973 4.527 0.196 0.000 0.375 536 F C 0.542 176.453 175.800 0.186 0.000 1.257 536 F CA -0.471 57.644 58.000 0.192 0.000 1.171 536 F CB 0.877 39.965 39.000 0.147 0.000 1.588 536 F HN 0.935 nan 8.300 nan 0.000 0.604 537 c N 2.988 121.767 118.600 0.298 0.000 4.067 537 c HA 0.044 4.732 4.570 0.196 0.000 0.305 537 c C 1.523 175.682 174.090 0.115 0.000 1.305 537 c CA 1.382 57.807 56.329 0.160 0.000 2.111 537 c CB -1.748 40.872 42.510 0.182 0.000 1.339 537 c HN 1.865 nan 8.230 nan 0.000 0.668 538 G N 0.607 109.461 108.800 0.089 0.000 3.206 538 G HA2 -0.251 3.827 3.960 0.196 0.000 0.217 538 G HA3 -0.251 3.827 3.960 0.196 0.000 0.217 538 G C 0.200 175.148 174.900 0.081 0.000 1.350 538 G CA 0.577 45.718 45.100 0.068 0.000 0.836 538 G HN 0.863 nan 8.290 nan 0.000 0.548 539 K N 0.627 121.090 120.400 0.105 0.000 2.270 539 K HA 0.502 4.940 4.320 0.196 0.000 0.276 539 K C -0.269 176.410 176.600 0.131 0.000 1.023 539 K CA -0.113 56.236 56.287 0.104 0.000 0.955 539 K CB 1.162 33.721 32.500 0.099 0.000 0.975 539 K HN 0.307 nan 8.250 nan 0.000 0.471 540 c N 2.640 121.300 118.600 0.101 0.000 2.285 540 c HA 0.286 4.974 4.570 0.196 0.000 0.335 540 c C 0.457 174.603 174.090 0.092 0.000 1.267 540 c CA -0.829 55.559 56.329 0.099 0.000 1.762 540 c CB -0.419 42.125 42.510 0.056 0.000 2.365 540 c HN 0.705 nan 8.230 nan 0.000 0.527 541 R N 2.281 122.860 120.500 0.132 0.000 2.608 541 R HA 0.240 4.698 4.340 0.196 0.000 0.277 541 R C -0.375 175.903 176.300 -0.037 0.000 1.341 541 R CA -0.260 55.867 56.100 0.045 0.000 1.199 541 R CB 0.061 30.366 30.300 0.010 0.000 1.156 541 R HN 0.747 nan 8.270 nan 0.000 0.558 542 c N 2.211 120.798 118.600 -0.021 0.000 2.662 542 c HA 0.053 4.740 4.570 0.196 0.000 0.420 542 c C 1.157 175.215 174.090 -0.052 0.000 1.314 542 c CA -0.471 55.838 56.329 -0.034 0.000 1.963 542 c CB -0.685 41.865 42.510 0.066 0.000 2.686 542 c HN 0.684 nan 8.230 nan 0.000 0.609 543 H N 2.344 121.371 119.070 -0.072 0.000 2.871 543 H HA 0.134 4.808 4.556 0.197 0.000 0.377 543 H C -1.948 173.436 175.328 0.093 0.000 1.307 543 H CA 0.244 56.260 56.048 -0.054 0.000 1.449 543 H CB -0.165 29.480 29.762 -0.195 0.000 1.452 543 H HN 0.465 nan 8.280 nan 0.000 0.619 544 P HA 0.017 nan 4.420 nan 0.000 0.264 544 P C 0.584 178.094 177.300 0.349 0.000 1.193 544 P CA 1.317 64.547 63.100 0.217 0.000 0.763 544 P CB 0.558 32.343 31.700 0.141 0.000 0.810 545 G N 1.041 109.971 108.800 0.217 0.000 2.157 545 G HA2 -0.214 3.863 3.960 0.196 0.000 0.239 545 G HA3 -0.214 3.863 3.960 0.196 0.000 0.239 545 G C -0.329 174.472 174.900 -0.164 0.000 0.982 545 G CA -0.523 44.605 45.100 0.047 0.000 0.650 545 G HN 0.389 nan 8.290 nan 0.000 0.527 546 F N 1.184 121.138 119.950 0.007 0.000 2.539 546 F HA 0.632 5.276 4.527 0.196 0.000 0.318 546 F C 0.177 175.968 175.800 -0.014 0.000 1.135 546 F CA -0.885 57.108 58.000 -0.011 0.000 0.915 546 F CB 1.789 40.781 39.000 -0.014 0.000 1.176 546 F HN 0.375 nan 8.300 nan 0.000 0.440 547 E N 1.206 121.470 120.200 0.107 0.000 2.431 547 E HA 0.918 5.386 4.350 0.196 0.000 0.268 547 E C -0.348 176.283 176.600 0.052 0.000 0.953 547 E CA -1.446 54.994 56.400 0.067 0.000 0.810 547 E CB 2.623 32.343 29.700 0.034 0.000 1.369 547 E HN 0.902 nan 8.360 nan 0.000 0.440 548 G N -0.261 108.565 108.800 0.044 0.000 2.440 548 G HA2 -0.144 3.933 3.960 0.196 0.000 0.684 548 G HA3 -0.144 3.933 3.960 0.196 0.000 0.684 548 G C 0.254 175.182 174.900 0.048 0.000 1.309 548 G CA -0.192 44.935 45.100 0.045 0.000 0.931 548 G HN 0.405 nan 8.290 nan 0.000 0.612 549 S N -0.256 115.478 115.700 0.055 0.000 2.370 549 S HA 0.122 4.710 4.470 0.196 0.000 0.226 549 S C 1.908 176.544 174.600 0.060 0.000 1.033 549 S CA 2.449 60.684 58.200 0.058 0.000 1.011 549 S CB -0.065 63.172 63.200 0.062 0.000 0.852 549 S HN 1.997 nan 8.310 nan 0.000 0.457 550 A N -0.794 122.066 122.820 0.067 0.000 2.674 550 A HA 0.524 4.961 4.320 0.196 0.000 0.286 550 A C 0.629 178.202 177.584 -0.018 0.000 0.980 550 A CA -0.315 51.756 52.037 0.057 0.000 1.028 550 A CB -0.766 18.301 19.000 0.111 0.000 1.199 550 A HN 0.566 nan 8.150 nan 0.000 0.499 551 c N -0.277 118.307 118.600 -0.027 0.000 4.432 551 c HA -0.278 4.409 4.570 0.196 0.000 0.294 551 c C 2.200 176.146 174.090 -0.241 0.000 1.398 551 c CA 1.249 57.530 56.329 -0.081 0.000 1.988 551 c CB -3.183 39.257 42.510 -0.116 0.000 1.251 551 c HN 0.882 nan 8.230 nan 0.000 0.791 552 Q N -0.625 119.144 119.800 -0.051 0.000 2.084 552 Q HA -0.155 4.302 4.340 0.196 0.000 0.202 552 Q C 1.417 177.508 176.000 0.152 0.000 0.978 552 Q CA 1.823 57.723 55.803 0.162 0.000 0.844 552 Q CB -0.230 28.659 28.738 0.252 0.000 0.898 552 Q HN 0.777 nan 8.270 nan 0.000 0.426 553 c N 2.675 121.314 118.600 0.066 0.000 2.400 553 c HA 0.151 4.838 4.570 0.196 0.000 0.457 553 c C 1.572 175.658 174.090 -0.007 0.000 1.020 553 c CA -0.596 55.759 56.329 0.043 0.000 1.258 553 c CB -1.440 41.086 42.510 0.025 0.000 1.532 553 c HN 0.623 nan 8.230 nan 0.000 0.537 554 E N 2.271 122.469 120.200 -0.004 0.000 2.065 554 E HA -0.166 4.302 4.350 0.196 0.000 0.201 554 E C 0.663 177.083 176.600 -0.301 0.000 1.016 554 E CA 1.323 57.733 56.400 0.017 0.000 0.818 554 E CB 0.222 29.973 29.700 0.084 0.000 0.749 554 E HN 0.696 nan 8.360 nan 0.000 0.453 555 R N -0.420 119.879 120.500 -0.336 0.000 2.514 555 R HA 0.158 4.616 4.340 0.196 0.000 0.301 555 R C 0.403 176.523 176.300 -0.301 0.000 0.962 555 R CA -0.078 55.706 56.100 -0.526 0.000 0.882 555 R CB 1.579 31.668 30.300 -0.352 0.000 1.143 555 R HN -0.053 nan 8.270 nan 0.000 0.452 556 T N 1.032 115.404 114.554 -0.303 0.000 3.148 556 T HA -0.033 4.435 4.350 0.196 0.000 0.253 556 T C 1.007 175.635 174.700 -0.121 0.000 1.134 556 T CA 0.610 62.617 62.100 -0.155 0.000 1.051 556 T CB -0.068 68.733 68.868 -0.112 0.000 0.959 556 T HN 0.790 nan 8.240 nan 0.000 0.525 557 T N -0.234 114.232 114.554 -0.146 0.000 2.773 557 T HA 0.283 4.751 4.350 0.196 0.000 0.337 557 T C 0.006 174.664 174.700 -0.070 0.000 1.086 557 T CA -0.404 61.637 62.100 -0.099 0.000 0.998 557 T CB 0.473 69.279 68.868 -0.103 0.000 1.281 557 T HN 0.273 nan 8.240 nan 0.000 0.525 558 E N -0.589 119.580 120.200 -0.052 0.000 3.117 558 E HA 0.323 4.790 4.350 0.196 0.000 0.262 558 E C 0.706 177.287 176.600 -0.031 0.000 1.202 558 E CA -0.538 55.839 56.400 -0.038 0.000 0.853 558 E CB 0.520 30.202 29.700 -0.030 0.000 1.426 558 E HN 0.885 nan 8.360 nan 0.000 0.387 559 G N 0.118 108.899 108.800 -0.031 0.000 2.776 559 G HA2 -0.160 3.918 3.960 0.196 0.000 0.209 559 G HA3 -0.160 3.918 3.960 0.196 0.000 0.209 559 G C 1.175 176.065 174.900 -0.016 0.000 1.145 559 G CA 0.214 45.301 45.100 -0.023 0.000 0.791 559 G HN 0.498 nan 8.290 nan 0.000 0.530 560 c N 0.358 118.948 118.600 -0.016 0.000 2.466 560 c HA 0.256 4.944 4.570 0.196 0.000 0.283 560 c C 1.289 175.371 174.090 -0.013 0.000 1.472 560 c CA -0.760 55.562 56.329 -0.012 0.000 1.765 560 c CB -1.431 41.072 42.510 -0.012 0.000 1.724 560 c HN 0.277 nan 8.230 nan 0.000 0.560 561 L N 2.947 124.160 121.223 -0.016 0.000 2.349 561 L HA 0.251 4.709 4.340 0.196 0.000 0.275 561 L C 0.364 177.226 176.870 -0.014 0.000 1.115 561 L CA -0.125 54.706 54.840 -0.016 0.000 0.820 561 L CB 0.502 42.551 42.059 -0.017 0.000 1.135 561 L HN 0.396 nan 8.230 nan 0.000 0.445 562 N N 3.380 122.072 118.700 -0.013 0.000 2.566 562 N HA 0.392 5.250 4.740 0.196 0.000 0.299 562 N C -2.255 173.248 175.510 -0.012 0.000 1.277 562 N CA -2.000 51.043 53.050 -0.011 0.000 0.965 562 N CB -0.507 37.975 38.487 -0.010 0.000 1.142 562 N HN 0.109 nan 8.380 nan 0.000 0.596 563 P HA -0.017 nan 4.420 nan 0.000 0.220 563 P C 0.975 178.269 177.300 -0.009 0.000 1.148 563 P CA 1.155 64.249 63.100 -0.011 0.000 0.803 563 P CB 0.178 31.872 31.700 -0.010 0.000 0.782 564 R N -0.667 119.827 120.500 -0.010 0.000 2.193 564 R HA 0.011 4.469 4.340 0.196 0.000 0.229 564 R C 0.511 176.805 176.300 -0.010 0.000 1.110 564 R CA 0.519 56.613 56.100 -0.010 0.000 0.988 564 R CB -0.716 29.576 30.300 -0.013 0.000 0.871 564 R HN 0.109 nan 8.270 nan 0.000 0.458 565 R N -0.538 119.955 120.500 -0.011 0.000 3.531 565 R HA -0.123 4.335 4.340 0.196 0.000 0.280 565 R C -0.530 175.762 176.300 -0.013 0.000 1.130 565 R CA 0.586 56.679 56.100 -0.011 0.000 0.757 565 R CB -2.717 27.579 30.300 -0.007 0.000 1.218 565 R HN 0.209 nan 8.270 nan 0.000 0.454 566 V N 0.414 120.318 119.914 -0.017 0.000 2.487 566 V HA 0.283 4.520 4.120 0.196 0.000 0.298 566 V C 0.324 176.403 176.094 -0.024 0.000 1.028 566 V CA -0.800 61.487 62.300 -0.021 0.000 0.860 566 V CB 1.749 33.556 31.823 -0.026 0.000 0.991 566 V HN 0.274 nan 8.190 nan 0.000 0.427 567 E N 4.453 124.639 120.200 -0.024 0.000 2.417 567 E HA 0.131 4.598 4.350 0.196 0.000 0.261 567 E C 0.619 177.202 176.600 -0.029 0.000 1.000 567 E CA 0.424 56.810 56.400 -0.023 0.000 0.919 567 E CB 0.197 29.884 29.700 -0.021 0.000 0.955 567 E HN 0.977 nan 8.360 nan 0.000 0.455 568 c N 3.460 122.045 118.600 -0.025 0.000 4.356 568 c HA -0.270 4.418 4.570 0.196 0.000 0.296 568 c C 1.583 175.642 174.090 -0.051 0.000 1.424 568 c CA 0.518 56.831 56.329 -0.028 0.000 2.000 568 c CB -3.238 39.257 42.510 -0.024 0.000 1.262 568 c HN 1.066 nan 8.230 nan 0.000 0.789 569 S N -0.777 114.894 115.700 -0.049 0.000 4.155 569 S HA -0.392 4.196 4.470 0.196 0.000 0.538 569 S C 1.698 176.232 174.600 -0.110 0.000 1.768 569 S CA 2.350 60.508 58.200 -0.069 0.000 4.139 569 S CB -1.518 61.645 63.200 -0.060 0.000 0.908 569 S HN 1.546 nan 8.310 nan 0.000 0.461 570 G N 1.722 110.413 108.800 -0.182 0.000 2.456 570 G HA2 0.204 4.282 3.960 0.196 0.000 0.213 570 G HA3 0.204 4.282 3.960 0.196 0.000 0.213 570 G C 0.407 175.175 174.900 -0.220 0.000 1.215 570 G CA 0.810 45.758 45.100 -0.253 0.000 0.805 570 G HN 0.483 nan 8.290 nan 0.000 0.537 571 R N -0.981 119.376 120.500 -0.238 0.000 2.725 571 R HA 0.595 5.052 4.340 0.196 0.000 0.277 571 R C -0.801 175.464 176.300 -0.059 0.000 0.987 571 R CA 0.067 56.090 56.100 -0.128 0.000 0.901 571 R CB 1.616 31.854 30.300 -0.103 0.000 1.207 571 R HN 0.790 nan 8.270 nan 0.000 0.463 572 G N 2.124 110.914 108.800 -0.018 0.000 2.897 572 G HA2 -0.100 3.978 3.960 0.196 0.000 0.392 572 G HA3 -0.100 3.978 3.960 0.196 0.000 0.392 572 G C -0.703 174.197 174.900 -0.001 0.000 1.263 572 G CA -0.909 44.196 45.100 0.007 0.000 1.185 572 G HN 0.565 nan 8.290 nan 0.000 0.573 573 R N 0.816 121.321 120.500 0.008 0.000 2.756 573 R HA 0.334 4.791 4.340 0.196 0.000 0.264 573 R C 0.477 176.778 176.300 0.003 0.000 1.026 573 R CA 0.349 56.451 56.100 0.004 0.000 1.121 573 R CB 0.482 30.787 30.300 0.010 0.000 0.999 573 R HN 0.787 nan 8.270 nan 0.000 0.449 574 c N 5.938 124.537 118.600 -0.002 0.000 2.136 574 c HA 0.392 5.079 4.570 0.196 0.000 0.381 574 c C -0.244 173.844 174.090 -0.002 0.000 1.039 574 c CA -0.600 55.727 56.329 -0.004 0.000 1.491 574 c CB -1.265 41.239 42.510 -0.011 0.000 1.663 574 c HN 0.713 nan 8.230 nan 0.000 0.470 575 R N 3.669 124.172 120.500 0.005 0.000 2.215 575 R HA 0.384 4.841 4.340 0.196 0.000 0.336 575 R C 0.457 176.764 176.300 0.011 0.000 0.996 575 R CA -0.249 55.856 56.100 0.009 0.000 0.847 575 R CB 0.479 30.790 30.300 0.017 0.000 1.127 575 R HN 0.841 nan 8.270 nan 0.000 0.465 576 c N 3.247 121.849 118.600 0.003 0.000 4.209 576 c HA -0.131 4.557 4.570 0.196 0.000 0.305 576 c C 0.181 174.273 174.090 0.005 0.000 1.339 576 c CA 0.077 56.410 56.329 0.006 0.000 2.062 576 c CB -2.468 40.066 42.510 0.039 0.000 1.307 576 c HN 1.091 nan 8.230 nan 0.000 0.706 577 N N -2.309 116.385 118.700 -0.011 0.000 2.725 577 N HA -0.173 4.685 4.740 0.196 0.000 0.249 577 N C -0.492 175.020 175.510 0.003 0.000 1.103 577 N CA 1.404 54.448 53.050 -0.010 0.000 0.707 577 N CB -0.739 37.740 38.487 -0.014 0.000 1.043 577 N HN 0.838 nan 8.380 nan 0.000 0.553 578 V N -0.888 119.030 119.914 0.007 0.000 3.007 578 V HA 0.537 4.775 4.120 0.196 0.000 0.311 578 V C 0.254 176.355 176.094 0.011 0.000 1.120 578 V CA -0.857 61.450 62.300 0.012 0.000 0.980 578 V CB 2.672 34.507 31.823 0.020 0.000 1.033 578 V HN 0.204 nan 8.190 nan 0.000 0.429 579 c N 1.582 120.190 118.600 0.014 0.000 2.391 579 c HA 0.528 5.216 4.570 0.196 0.000 0.339 579 c C 0.556 174.660 174.090 0.022 0.000 1.205 579 c CA -0.558 55.779 56.329 0.014 0.000 1.937 579 c CB 1.020 43.536 42.510 0.011 0.000 2.341 579 c HN 0.995 nan 8.230 nan 0.000 0.516 580 E N 1.139 121.353 120.200 0.025 0.000 2.597 580 E HA 0.240 4.708 4.350 0.196 0.000 0.235 580 E C -0.554 176.075 176.600 0.048 0.000 1.155 580 E CA -0.336 56.084 56.400 0.033 0.000 1.199 580 E CB 0.069 29.788 29.700 0.033 0.000 1.409 580 E HN 0.803 nan 8.360 nan 0.000 0.453 581 c N 3.250 121.883 118.600 0.055 0.000 2.523 581 c HA -0.027 4.661 4.570 0.196 0.000 0.406 581 c C 1.022 175.185 174.090 0.120 0.000 1.449 581 c CA -0.433 55.946 56.329 0.083 0.000 1.588 581 c CB -1.037 41.553 42.510 0.132 0.000 2.514 581 c HN 0.614 nan 8.230 nan 0.000 0.606 582 H N 2.366 121.458 119.070 0.037 0.000 2.745 582 H HA 0.154 4.828 4.556 0.196 0.000 0.373 582 H C 1.111 176.551 175.328 0.186 0.000 1.226 582 H CA 1.780 57.871 56.048 0.071 0.000 1.435 582 H CB 0.790 30.568 29.762 0.026 0.000 1.461 582 H HN 0.952 nan 8.280 nan 0.000 0.616 583 S N 0.844 116.332 115.700 -0.354 0.000 3.144 583 S HA -0.281 4.307 4.470 0.196 0.000 0.629 583 S C 1.406 176.028 174.600 0.036 0.000 2.962 583 S CA 1.329 59.498 58.200 -0.053 0.000 3.700 583 S CB -1.484 61.880 63.200 0.273 0.000 0.286 583 S HN 1.030 nan 8.310 nan 0.000 1.464 584 G N -0.444 108.373 108.800 0.027 0.000 3.088 584 G HA2 0.309 4.386 3.960 0.196 0.000 0.212 584 G HA3 0.309 4.386 3.960 0.196 0.000 0.212 584 G C 0.036 174.918 174.900 -0.032 0.000 1.173 584 G CA 0.099 45.182 45.100 -0.029 0.000 0.779 584 G HN 0.563 nan 8.290 nan 0.000 0.540 585 Y N 1.373 121.684 120.300 0.019 0.000 2.712 585 Y HA 0.098 4.765 4.550 0.196 0.000 0.333 585 Y C 1.149 177.057 175.900 0.013 0.000 1.225 585 Y CA 0.307 58.421 58.100 0.024 0.000 1.499 585 Y CB 0.578 39.061 38.460 0.038 0.000 1.288 585 Y HN 0.094 nan 8.280 nan 0.000 0.575 586 Q N 1.863 121.745 119.800 0.137 0.000 2.252 586 Q HA 0.435 4.893 4.340 0.196 0.000 0.256 586 Q C -0.758 175.288 176.000 0.076 0.000 1.020 586 Q CA -1.123 54.726 55.803 0.076 0.000 0.913 586 Q CB 1.850 30.608 28.738 0.033 0.000 1.286 586 Q HN 0.480 nan 8.270 nan 0.000 0.480 587 L N 1.298 122.549 121.223 0.048 0.000 2.475 587 L HA 0.194 4.652 4.340 0.196 0.000 0.253 587 L C -1.243 175.646 176.870 0.032 0.000 1.198 587 L CA -0.752 54.110 54.840 0.038 0.000 0.814 587 L CB -0.538 41.536 42.059 0.026 0.000 1.134 587 L HN 0.544 nan 8.230 nan 0.000 0.478 588 P HA 0.119 nan 4.420 nan 0.000 0.220 588 P C 0.951 178.264 177.300 0.021 0.000 1.154 588 P CA 0.801 63.913 63.100 0.020 0.000 0.837 588 P CB 0.370 32.077 31.700 0.012 0.000 0.815 589 L N -1.071 120.166 121.223 0.023 0.000 2.769 589 L HA 0.238 4.696 4.340 0.196 0.000 0.240 589 L C -0.343 176.540 176.870 0.021 0.000 1.163 589 L CA -0.329 54.520 54.840 0.015 0.000 0.962 589 L CB -0.550 41.513 42.059 0.007 0.000 1.258 589 L HN -0.089 nan 8.230 nan 0.000 0.513 590 c N 1.710 120.341 118.600 0.052 0.000 3.234 590 c HA -0.120 4.568 4.570 0.196 0.000 0.291 590 c C 1.536 175.691 174.090 0.108 0.000 1.089 590 c CA 0.720 57.103 56.329 0.090 0.000 2.493 590 c CB -1.933 40.586 42.510 0.014 0.000 1.512 590 c HN 0.801 nan 8.230 nan 0.000 0.495 591 Q N -0.225 119.688 119.800 0.189 0.000 2.519 591 Q HA 0.179 4.636 4.340 0.196 0.000 0.248 591 Q C 0.187 176.354 176.000 0.279 0.000 0.804 591 Q CA 0.579 56.503 55.803 0.201 0.000 0.979 591 Q CB 0.326 29.118 28.738 0.091 0.000 1.282 591 Q HN 0.837 nan 8.270 nan 0.000 0.558 592 E N 1.125 121.420 120.200 0.160 0.000 2.081 592 E HA 0.300 4.768 4.350 0.196 0.000 0.281 592 E C -1.131 175.427 176.600 -0.069 0.000 0.986 592 E CA -0.385 56.041 56.400 0.045 0.000 0.796 592 E CB 1.461 31.174 29.700 0.022 0.000 1.085 592 E HN 0.255 nan 8.360 nan 0.000 0.398 593 C N 6.990 126.105 119.300 -0.308 0.000 2.116 593 C HA 0.299 4.877 4.460 0.196 0.000 0.367 593 C C -1.332 173.528 174.990 -0.216 0.000 1.039 593 C CA -2.105 56.643 59.018 -0.450 0.000 1.465 593 C CB -0.830 26.323 27.740 -0.979 0.000 1.783 593 C HN 0.654 nan 8.230 nan 0.000 0.470 594 P HA -0.004 nan 4.420 nan 0.000 0.221 594 P C 1.402 178.663 177.300 -0.064 0.000 1.145 594 P CA 1.500 64.558 63.100 -0.071 0.000 0.795 594 P CB 0.118 31.790 31.700 -0.046 0.000 0.775 595 G N -2.071 106.681 108.800 -0.079 0.000 2.887 595 G HA2 -0.031 4.047 3.960 0.196 0.000 0.211 595 G HA3 -0.031 4.047 3.960 0.196 0.000 0.211 595 G C 0.185 175.055 174.900 -0.050 0.000 1.152 595 G CA -0.102 44.965 45.100 -0.054 0.000 0.769 595 G HN 0.243 nan 8.290 nan 0.000 0.541 596 C N 2.262 121.515 119.300 -0.079 0.000 2.596 596 C HA 0.169 4.747 4.460 0.196 0.000 0.414 596 C C 0.134 175.117 174.990 -0.013 0.000 1.396 596 C CA -0.834 58.154 59.018 -0.050 0.000 1.698 596 C CB 1.400 29.087 27.740 -0.088 0.000 2.572 596 C HN 0.364 nan 8.230 nan 0.000 0.604 597 P HA -0.071 nan 4.420 nan 0.000 0.214 597 P C 0.545 177.859 177.300 0.024 0.000 1.163 597 P CA 1.509 64.622 63.100 0.022 0.000 0.883 597 P CB 0.115 31.838 31.700 0.039 0.000 0.788 598 S N -2.758 112.964 115.700 0.037 0.000 3.906 598 S HA 0.006 4.594 4.470 0.196 0.000 0.201 598 S C -2.573 172.050 174.600 0.038 0.000 1.133 598 S CA -0.462 57.753 58.200 0.026 0.000 0.788 598 S CB -1.902 61.305 63.200 0.012 0.000 0.740 598 S HN 0.088 nan 8.310 nan 0.000 0.763 599 P HA 0.250 nan 4.420 nan 0.000 0.258 599 P C 0.739 178.143 177.300 0.174 0.000 1.214 599 P CA -0.129 63.082 63.100 0.185 0.000 0.872 599 P CB 0.073 31.983 31.700 0.350 0.000 0.890 600 c N 2.779 121.483 118.600 0.173 0.000 2.590 600 c HA 0.171 4.858 4.570 0.196 0.000 0.272 600 c C 1.779 176.079 174.090 0.349 0.000 1.338 600 c CA 0.618 57.086 56.329 0.232 0.000 1.746 600 c CB -0.612 41.993 42.510 0.158 0.000 2.020 600 c HN 0.644 nan 8.230 nan 0.000 0.531 601 G N 0.025 108.970 108.800 0.241 0.000 2.559 601 G HA2 0.297 4.375 3.960 0.196 0.000 0.235 601 G HA3 0.297 4.375 3.960 0.196 0.000 0.235 601 G C 0.490 175.448 174.900 0.097 0.000 1.266 601 G CA 0.268 45.457 45.100 0.149 0.000 0.847 601 G HN 0.633 nan 8.290 nan 0.000 0.583 602 K N -0.170 120.219 120.400 -0.017 0.000 3.572 602 K HA -0.267 4.171 4.320 0.196 0.000 0.306 602 K C 0.915 177.333 176.600 -0.304 0.000 1.286 602 K CA 1.972 58.152 56.287 -0.179 0.000 1.010 602 K CB -1.128 31.196 32.500 -0.293 0.000 1.268 602 K HN 0.598 nan 8.250 nan 0.000 0.438 603 Y N -0.473 119.818 120.300 -0.016 0.000 2.498 603 Y HA 0.185 4.853 4.550 0.197 0.000 0.259 603 Y C 2.095 177.940 175.900 -0.092 0.000 1.086 603 Y CA -0.119 57.938 58.100 -0.071 0.000 1.287 603 Y CB 0.361 38.762 38.460 -0.099 0.000 1.146 603 Y HN -0.014 nan 8.280 nan 0.000 0.523 604 I N -0.588 120.050 120.570 0.113 0.000 2.226 604 I HA -0.299 3.989 4.170 0.196 0.000 0.245 604 I C 2.525 178.664 176.117 0.036 0.000 1.100 604 I CA 1.503 62.843 61.300 0.066 0.000 1.374 604 I CB -1.246 36.819 38.000 0.108 0.000 1.057 604 I HN 0.176 nan 8.210 nan 0.000 0.413 605 S N -0.097 115.649 115.700 0.078 0.000 2.400 605 S HA -0.186 4.402 4.470 0.196 0.000 0.232 605 S C 2.129 176.691 174.600 -0.063 0.000 1.025 605 S CA 1.719 59.995 58.200 0.127 0.000 0.993 605 S CB -0.165 63.161 63.200 0.210 0.000 0.808 605 S HN 0.538 nan 8.310 nan 0.000 0.478 606 c N 0.919 119.483 118.600 -0.061 0.000 2.634 606 c HA 0.527 5.215 4.570 0.196 0.000 0.268 606 c C 2.899 176.926 174.090 -0.106 0.000 1.322 606 c CA -0.152 56.125 56.329 -0.087 0.000 1.737 606 c CB -1.173 41.308 42.510 -0.048 0.000 1.976 606 c HN 0.715 nan 8.230 nan 0.000 0.547 607 A N 1.852 124.588 122.820 -0.140 0.000 1.929 607 A HA -0.157 4.281 4.320 0.196 0.000 0.216 607 A C 2.028 179.545 177.584 -0.111 0.000 1.176 607 A CA 1.574 53.480 52.037 -0.217 0.000 0.628 607 A CB -0.505 18.214 19.000 -0.468 0.000 0.816 607 A HN 0.801 nan 8.150 nan 0.000 0.444 608 E N -1.490 118.649 120.200 -0.103 0.000 2.476 608 E HA 0.021 4.489 4.350 0.196 0.000 0.191 608 E C 1.246 177.795 176.600 -0.086 0.000 1.064 608 E CA 0.605 56.968 56.400 -0.063 0.000 0.866 608 E CB -0.403 29.234 29.700 -0.105 0.000 0.952 608 E HN 0.443 nan 8.360 nan 0.000 0.492 609 c N 0.054 118.578 118.600 -0.126 0.000 2.926 609 c HA 0.371 5.058 4.570 0.196 0.000 0.272 609 c C 1.611 175.656 174.090 -0.075 0.000 1.249 609 c CA -0.190 56.053 56.329 -0.143 0.000 1.691 609 c CB -0.761 41.636 42.510 -0.188 0.000 1.983 609 c HN 0.545 nan 8.230 nan 0.000 0.615 610 L N 0.048 121.244 121.223 -0.045 0.000 2.670 610 L HA 0.271 4.729 4.340 0.196 0.000 0.177 610 L C 2.363 179.220 176.870 -0.023 0.000 1.181 610 L CA 0.346 55.167 54.840 -0.033 0.000 0.856 610 L CB -0.960 41.079 42.059 -0.034 0.000 1.205 610 L HN -0.038 nan 8.230 nan 0.000 0.506 611 K N 1.016 121.415 120.400 -0.001 0.000 1.967 611 K HA -0.028 4.409 4.320 0.196 0.000 0.212 611 K C 0.448 177.001 176.600 -0.077 0.000 1.044 611 K CA 1.378 57.642 56.287 -0.038 0.000 0.942 611 K CB -0.573 31.933 32.500 0.009 0.000 0.726 611 K HN -0.132 nan 8.250 nan 0.000 0.440 612 F N 1.590 121.493 119.950 -0.077 0.000 2.403 612 F HA 0.235 4.879 4.527 0.196 0.000 0.320 612 F C 0.758 176.513 175.800 -0.075 0.000 1.176 612 F CA -0.217 57.746 58.000 -0.061 0.000 1.206 612 F CB 0.541 39.512 39.000 -0.047 0.000 1.235 612 F HN 0.038 nan 8.300 nan 0.000 0.565 613 E N 1.430 121.696 120.200 0.109 0.000 3.170 613 E HA 0.082 4.549 4.350 0.196 0.000 0.212 613 E C -0.313 176.296 176.600 0.015 0.000 1.143 613 E CA -0.096 56.317 56.400 0.021 0.000 1.139 613 E CB 0.757 30.454 29.700 -0.005 0.000 1.346 613 E HN 0.498 nan 8.360 nan 0.000 0.432 614 K N 0.574 120.965 120.400 -0.015 0.000 2.965 614 K HA 0.252 4.690 4.320 0.196 0.000 0.216 614 K C 0.042 176.542 176.600 -0.166 0.000 1.164 614 K CA 0.014 56.287 56.287 -0.024 0.000 1.153 614 K CB 0.094 32.607 32.500 0.023 0.000 1.045 614 K HN 0.491 nan 8.250 nan 0.000 0.460 615 G N 3.101 111.783 108.800 -0.197 0.000 3.316 615 G HA2 -0.135 3.943 3.960 0.196 0.000 0.445 615 G HA3 -0.135 3.943 3.960 0.196 0.000 0.445 615 G C -2.710 171.823 174.900 -0.612 0.000 1.002 615 G CA -0.950 43.997 45.100 -0.254 0.000 0.818 615 G HN 0.203 nan 8.290 nan 0.000 0.404 616 P HA 0.107 nan 4.420 nan 0.000 0.256 616 P C 0.885 178.062 177.300 -0.205 0.000 1.189 616 P CA 0.276 63.179 63.100 -0.328 0.000 0.808 616 P CB 0.017 31.628 31.700 -0.150 0.000 0.793 617 F N 2.417 122.354 119.950 -0.022 0.000 2.012 617 F HA -0.054 4.590 4.527 0.196 0.000 0.289 617 F C 2.833 178.619 175.800 -0.022 0.000 1.185 617 F CA 1.048 59.034 58.000 -0.024 0.000 1.149 617 F CB -1.363 37.619 39.000 -0.030 0.000 0.994 617 F HN 0.271 nan 8.300 nan 0.000 0.481 618 G N -0.146 108.769 108.800 0.192 0.000 2.606 618 G HA2 -0.237 3.841 3.960 0.196 0.000 0.221 618 G HA3 -0.237 3.841 3.960 0.196 0.000 0.221 618 G C 1.066 175.999 174.900 0.054 0.000 1.152 618 G CA 1.865 47.018 45.100 0.089 0.000 0.765 618 G HN 0.341 nan 8.290 nan 0.000 0.595 619 K N -2.163 118.259 120.400 0.037 0.000 2.359 619 K HA 0.273 4.711 4.320 0.196 0.000 0.315 619 K C 0.116 176.717 176.600 0.001 0.000 1.027 619 K CA -0.554 55.743 56.287 0.017 0.000 0.806 619 K CB 0.107 32.612 32.500 0.007 0.000 3.499 619 K HN 0.117 nan 8.250 nan 0.000 1.216 620 N N -0.596 118.097 118.700 -0.012 0.000 2.992 620 N HA 0.479 5.337 4.740 0.196 0.000 0.338 620 N C -1.091 174.394 175.510 -0.042 0.000 1.376 620 N CA -0.540 52.492 53.050 -0.029 0.000 0.778 620 N CB 1.196 39.669 38.487 -0.022 0.000 1.232 620 N HN 0.408 nan 8.380 nan 0.000 0.581 621 c N -1.763 116.809 118.600 -0.045 0.000 3.119 621 c HA 0.567 5.254 4.570 0.196 0.000 0.359 621 c C 0.284 174.358 174.090 -0.026 0.000 1.486 621 c CA -0.146 56.157 56.329 -0.044 0.000 1.556 621 c CB 0.943 43.414 42.510 -0.066 0.000 2.063 621 c HN 0.835 nan 8.230 nan 0.000 0.454 622 S N -0.996 114.693 115.700 -0.018 0.000 3.261 622 S HA -0.222 4.365 4.470 0.196 0.000 0.287 622 S C 0.312 174.911 174.600 -0.002 0.000 1.281 622 S CA 1.324 59.520 58.200 -0.005 0.000 1.053 622 S CB -1.643 61.553 63.200 -0.007 0.000 1.251 622 S HN 1.292 nan 8.310 nan 0.000 0.659 623 A N -0.382 122.435 122.820 -0.005 0.000 1.780 623 A HA 0.786 5.224 4.320 0.196 0.000 0.208 623 A C 1.398 178.981 177.584 -0.002 0.000 1.761 623 A CA 0.785 52.821 52.037 -0.002 0.000 1.183 623 A CB -0.429 18.568 19.000 -0.005 0.000 1.162 623 A HN 1.233 nan 8.150 nan 0.000 0.472 624 A N -1.063 121.751 122.820 -0.009 0.000 2.415 624 A HA 0.445 4.883 4.320 0.196 0.000 0.248 624 A C 0.310 177.885 177.584 -0.016 0.000 1.299 624 A CA 0.574 52.604 52.037 -0.013 0.000 0.899 624 A CB -0.898 18.092 19.000 -0.016 0.000 0.997 624 A HN 0.652 nan 8.150 nan 0.000 0.506 625 c N 0.300 118.899 118.600 -0.002 0.000 3.421 625 c HA 0.278 4.966 4.570 0.196 0.000 0.194 625 c C -1.896 172.219 174.090 0.043 0.000 1.418 625 c CA -0.802 55.535 56.329 0.013 0.000 1.226 625 c CB 0.418 42.924 42.510 -0.007 0.000 1.875 625 c HN 0.453 nan 8.230 nan 0.000 0.561 626 P HA 0.022 nan 4.420 nan 0.000 0.251 626 P C 1.004 178.373 177.300 0.116 0.000 1.251 626 P CA 0.857 64.000 63.100 0.073 0.000 0.763 626 P CB -0.096 31.645 31.700 0.068 0.000 1.067 627 G N 0.870 109.759 108.800 0.147 0.000 3.197 627 G HA2 0.051 4.129 3.960 0.196 0.000 0.257 627 G HA3 0.051 4.129 3.960 0.196 0.000 0.257 627 G C 0.923 175.890 174.900 0.110 0.000 0.835 627 G CA -0.329 44.883 45.100 0.187 0.000 2.001 627 G HN 0.127 nan 8.290 nan 0.000 0.625 628 L N 0.118 121.391 121.223 0.084 0.000 2.127 628 L HA -0.015 4.442 4.340 0.196 0.000 0.211 628 L C 1.634 178.533 176.870 0.048 0.000 1.089 628 L CA 1.478 56.349 54.840 0.053 0.000 0.757 628 L CB -0.268 41.815 42.059 0.041 0.000 0.899 628 L HN 0.428 nan 8.230 nan 0.000 0.434 629 Q N -0.563 119.274 119.800 0.062 0.000 2.235 629 Q HA 0.384 4.842 4.340 0.196 0.000 0.250 629 Q C -0.833 175.206 176.000 0.065 0.000 0.909 629 Q CA -0.250 55.588 55.803 0.058 0.000 0.910 629 Q CB 1.799 30.573 28.738 0.060 0.000 1.223 629 Q HN 0.131 nan 8.270 nan 0.000 0.432 630 L N 2.182 123.441 121.223 0.059 0.000 2.669 630 L HA 0.163 4.621 4.340 0.196 0.000 0.273 630 L C -0.578 176.349 176.870 0.094 0.000 1.441 630 L CA -0.082 54.799 54.840 0.067 0.000 0.745 630 L CB 0.919 42.997 42.059 0.032 0.000 1.044 630 L HN 0.659 nan 8.230 nan 0.000 0.523 631 S N -0.402 115.363 115.700 0.107 0.000 2.599 631 S HA 0.001 4.589 4.470 0.196 0.000 0.303 631 S C 0.571 175.277 174.600 0.177 0.000 1.267 631 S CA -0.012 58.254 58.200 0.111 0.000 1.055 631 S CB 0.178 63.432 63.200 0.091 0.000 0.790 631 S HN 0.529 nan 8.310 nan 0.000 0.500 632 N N 3.481 122.265 118.700 0.139 0.000 3.091 632 N HA 0.256 5.114 4.740 0.196 0.000 0.301 632 N C -0.767 174.799 175.510 0.093 0.000 1.325 632 N CA -0.050 53.110 53.050 0.183 0.000 1.143 632 N CB -0.666 37.889 38.487 0.114 0.000 1.450 632 N HN 0.511 nan 8.380 nan 0.000 0.542 633 N N -0.323 118.392 118.700 0.025 0.000 2.525 633 N HA 0.355 5.213 4.740 0.196 0.000 0.270 633 N C -2.735 172.566 175.510 -0.348 0.000 1.321 633 N CA -1.301 51.666 53.050 -0.139 0.000 0.797 633 N CB 1.902 40.358 38.487 -0.051 0.000 1.529 633 N HN -0.153 nan 8.380 nan 0.000 0.491 634 P HA 0.052 nan 4.420 nan 0.000 0.231 634 P C 0.181 177.401 177.300 -0.134 0.000 1.756 634 P CA -0.179 62.730 63.100 -0.319 0.000 0.990 634 P CB -0.269 31.301 31.700 -0.216 0.000 1.973 635 V N -1.281 118.591 119.914 -0.071 0.000 3.237 635 V HA 0.345 4.583 4.120 0.196 0.000 0.305 635 V C 0.383 176.497 176.094 0.032 0.000 1.096 635 V CA -0.032 62.274 62.300 0.009 0.000 1.130 635 V CB 0.689 32.548 31.823 0.061 0.000 1.048 635 V HN 0.175 nan 8.190 nan 0.000 0.484 636 K N 0.510 120.934 120.400 0.041 0.000 2.499 636 K HA 0.721 5.159 4.320 0.196 0.000 0.284 636 K C 0.393 177.021 176.600 0.046 0.000 1.039 636 K CA -0.439 55.874 56.287 0.043 0.000 0.873 636 K CB 1.673 34.185 32.500 0.020 0.000 1.545 636 K HN 1.104 nan 8.250 nan 0.000 0.402 637 G N 0.308 109.131 108.800 0.038 0.000 3.131 637 G HA2 -0.142 3.936 3.960 0.196 0.000 0.198 637 G HA3 -0.142 3.936 3.960 0.196 0.000 0.198 637 G C -0.547 174.373 174.900 0.033 0.000 1.435 637 G CA -0.579 44.542 45.100 0.035 0.000 1.016 637 G HN 0.267 nan 8.290 nan 0.000 0.499 638 R N 2.151 122.679 120.500 0.046 0.000 3.256 638 R HA 0.378 4.836 4.340 0.196 0.000 0.263 638 R C 0.131 176.442 176.300 0.018 0.000 1.388 638 R CA 0.194 56.315 56.100 0.034 0.000 1.580 638 R CB 0.210 30.540 30.300 0.050 0.000 1.255 638 R HN 0.353 nan 8.270 nan 0.000 0.640 639 T N 1.183 115.739 114.554 0.003 0.000 2.761 639 T HA -0.037 4.431 4.350 0.196 0.000 0.262 639 T C 0.349 175.006 174.700 -0.073 0.000 0.968 639 T CA 0.212 62.300 62.100 -0.020 0.000 1.235 639 T CB -0.691 68.166 68.868 -0.018 0.000 0.925 639 T HN 0.456 nan 8.240 nan 0.000 0.545 640 c N 5.469 123.982 118.600 -0.144 0.000 2.358 640 c HA 0.808 5.496 4.570 0.196 0.000 0.354 640 c C -0.142 173.665 174.090 -0.472 0.000 1.183 640 c CA -0.761 55.395 56.329 -0.287 0.000 2.150 640 c CB 0.733 43.052 42.510 -0.318 0.000 2.361 640 c HN 1.042 nan 8.230 nan 0.000 0.535 641 K N 3.694 123.864 120.400 -0.384 0.000 2.865 641 K HA 0.274 4.712 4.320 0.196 0.000 0.259 641 K C -0.753 175.801 176.600 -0.077 0.000 1.236 641 K CA -0.122 56.000 56.287 -0.276 0.000 1.024 641 K CB 0.259 32.681 32.500 -0.131 0.000 1.344 641 K HN 0.807 nan 8.250 nan 0.000 0.558 642 E N 1.431 121.592 120.200 -0.064 0.000 2.518 642 E HA 0.486 4.954 4.350 0.196 0.000 0.241 642 E C -0.052 176.625 176.600 0.130 0.000 0.899 642 E CA -0.748 55.715 56.400 0.105 0.000 0.888 642 E CB 1.004 30.765 29.700 0.102 0.000 1.426 642 E HN 0.433 nan 8.360 nan 0.000 0.401 643 R N 0.486 120.990 120.500 0.007 0.000 2.602 643 R HA 0.253 4.710 4.340 0.196 0.000 0.237 643 R C 0.226 176.480 176.300 -0.076 0.000 1.219 643 R CA -0.581 55.418 56.100 -0.168 0.000 1.121 643 R CB 0.305 30.356 30.300 -0.414 0.000 1.408 643 R HN 0.569 nan 8.270 nan 0.000 0.559 644 D N -1.097 119.220 120.400 -0.138 0.000 2.570 644 D HA 0.020 4.777 4.640 0.196 0.000 0.266 644 D C 0.786 177.053 176.300 -0.056 0.000 1.182 644 D CA -0.364 53.586 54.000 -0.083 0.000 1.088 644 D CB -0.188 40.529 40.800 -0.138 0.000 1.186 644 D HN 0.395 nan 8.370 nan 0.000 0.618 645 S N -1.617 114.090 115.700 0.011 0.000 2.436 645 S HA -0.031 4.556 4.470 0.196 0.000 0.228 645 S C 0.441 174.993 174.600 -0.080 0.000 1.014 645 S CA 0.423 58.625 58.200 0.004 0.000 0.950 645 S CB -0.421 62.900 63.200 0.201 0.000 0.784 645 S HN 0.561 nan 8.310 nan 0.000 0.504 646 E N 0.311 120.464 120.200 -0.078 0.000 3.117 646 E HA 0.464 4.932 4.350 0.196 0.000 0.262 646 E C 0.394 176.915 176.600 -0.131 0.000 1.202 646 E CA -0.126 56.215 56.400 -0.098 0.000 0.853 646 E CB 0.865 30.530 29.700 -0.058 0.000 1.426 646 E HN 0.371 nan 8.360 nan 0.000 0.387 647 G N 1.198 109.877 108.800 -0.202 0.000 4.165 647 G HA2 -0.328 3.750 3.960 0.196 0.000 0.211 647 G HA3 -0.328 3.750 3.960 0.196 0.000 0.211 647 G C 0.577 175.234 174.900 -0.404 0.000 1.469 647 G CA -0.179 44.754 45.100 -0.279 0.000 0.964 647 G HN 0.539 nan 8.290 nan 0.000 0.613 648 c N 2.656 121.115 118.600 -0.236 0.000 2.596 648 c HA 0.290 4.978 4.570 0.196 0.000 0.414 648 c C 0.968 174.952 174.090 -0.177 0.000 1.396 648 c CA -0.379 55.862 56.329 -0.147 0.000 1.698 648 c CB -0.930 41.539 42.510 -0.068 0.000 2.572 648 c HN 0.323 nan 8.230 nan 0.000 0.604 649 W N 4.193 125.473 121.300 -0.034 0.000 2.605 649 W HA 0.321 5.099 4.660 0.196 0.000 0.327 649 W C -0.456 176.040 176.519 -0.038 0.000 1.332 649 W CA -0.058 57.269 57.345 -0.031 0.000 1.403 649 W CB 0.250 29.696 29.460 -0.024 0.000 1.452 649 W HN 0.389 nan 8.180 nan 0.000 0.503 650 V N 4.723 124.706 119.914 0.115 0.000 2.385 650 V HA 0.329 4.567 4.120 0.196 0.000 0.269 650 V C 0.718 176.914 176.094 0.171 0.000 1.043 650 V CA -0.678 61.674 62.300 0.087 0.000 0.906 650 V CB 0.380 32.194 31.823 -0.014 0.000 0.995 650 V HN 0.505 nan 8.190 nan 0.000 0.467 651 A N 5.955 128.857 122.820 0.137 0.000 2.302 651 A HA 0.900 5.338 4.320 0.196 0.000 0.285 651 A C -0.687 176.990 177.584 0.154 0.000 1.105 651 A CA -0.294 51.763 52.037 0.032 0.000 0.816 651 A CB 0.532 19.563 19.000 0.052 0.000 1.067 651 A HN 1.402 nan 8.150 nan 0.000 0.489 652 Y N -1.527 118.815 120.300 0.071 0.000 2.365 652 Y HA 0.448 5.116 4.550 0.196 0.000 0.324 652 Y C -0.096 175.850 175.900 0.076 0.000 1.330 652 Y CA -0.588 57.558 58.100 0.076 0.000 1.271 652 Y CB -0.280 38.203 38.460 0.038 0.000 1.306 652 Y HN 0.920 nan 8.280 nan 0.000 0.451 653 T N 0.702 115.407 114.554 0.252 0.000 2.729 653 T HA 0.648 5.116 4.350 0.196 0.000 0.298 653 T C -0.893 173.952 174.700 0.241 0.000 1.013 653 T CA -0.426 61.779 62.100 0.174 0.000 0.957 653 T CB 1.554 70.512 68.868 0.150 0.000 1.130 653 T HN 1.103 nan 8.240 nan 0.000 0.526 654 L N 0.743 122.062 121.223 0.160 0.000 2.564 654 L HA 0.388 4.845 4.340 0.196 0.000 0.259 654 L C -0.625 176.341 176.870 0.159 0.000 1.101 654 L CA -0.262 54.667 54.840 0.149 0.000 0.900 654 L CB 1.128 43.233 42.059 0.077 0.000 1.110 654 L HN 0.968 nan 8.230 nan 0.000 0.468 655 E N 3.434 123.733 120.200 0.163 0.000 2.001 655 E HA 0.186 4.654 4.350 0.196 0.000 0.279 655 E C -0.286 176.409 176.600 0.159 0.000 1.045 655 E CA -0.249 56.233 56.400 0.137 0.000 0.833 655 E CB 0.698 30.455 29.700 0.094 0.000 1.077 655 E HN 0.678 nan 8.360 nan 0.000 0.397 656 Q N 3.210 123.106 119.800 0.159 0.000 2.454 656 Q HA 0.016 4.474 4.340 0.196 0.000 0.247 656 Q C -0.817 175.137 176.000 -0.077 0.000 1.028 656 Q CA 0.176 55.951 55.803 -0.047 0.000 0.910 656 Q CB 0.745 29.415 28.738 -0.113 0.000 1.276 656 Q HN 0.444 nan 8.270 nan 0.000 0.489 657 Q N 2.247 121.945 119.800 -0.170 0.000 2.296 657 Q HA 0.210 4.667 4.340 0.196 0.000 0.254 657 Q C -1.059 174.870 176.000 -0.118 0.000 0.936 657 Q CA -0.254 55.492 55.803 -0.095 0.000 0.834 657 Q CB 1.717 30.426 28.738 -0.049 0.000 1.340 657 Q HN 0.876 nan 8.270 nan 0.000 0.428 658 D N 1.030 121.376 120.400 -0.090 0.000 4.352 658 D HA -0.217 4.541 4.640 0.196 0.000 0.135 658 D C 0.391 176.607 176.300 -0.140 0.000 0.758 658 D CA 2.088 56.031 54.000 -0.096 0.000 1.133 658 D CB -0.976 39.779 40.800 -0.074 0.000 0.571 658 D HN 0.706 nan 8.370 nan 0.000 0.555 659 G N -0.394 108.328 108.800 -0.130 0.000 2.332 659 G HA2 0.537 4.615 3.960 0.196 0.000 0.310 659 G HA3 0.537 4.615 3.960 0.196 0.000 0.310 659 G C 0.844 175.664 174.900 -0.132 0.000 1.123 659 G CA 0.418 45.435 45.100 -0.137 0.000 0.873 659 G HN 0.403 nan 8.290 nan 0.000 0.460 660 M N 1.038 120.556 119.600 -0.137 0.000 7.319 660 M HA -0.207 4.390 4.480 0.196 0.000 0.313 660 M C -0.033 176.241 176.300 -0.043 0.000 0.480 660 M CA 1.462 56.720 55.300 -0.070 0.000 1.311 660 M CB -1.256 31.316 32.600 -0.046 0.000 0.421 660 M HN 0.523 nan 8.290 nan 0.000 0.852 661 D N 2.550 122.974 120.400 0.041 0.000 3.134 661 D HA 0.242 5.000 4.640 0.196 0.000 0.248 661 D C -0.025 176.342 176.300 0.111 0.000 1.273 661 D CA 0.196 54.305 54.000 0.181 0.000 0.904 661 D CB -0.060 40.917 40.800 0.296 0.000 1.089 661 D HN 0.152 nan 8.370 nan 0.000 0.478 662 R N 1.028 121.417 120.500 -0.186 0.000 2.346 662 R HA 0.528 4.985 4.340 0.196 0.000 0.311 662 R C -0.512 175.549 176.300 -0.399 0.000 0.983 662 R CA -0.466 55.548 56.100 -0.142 0.000 0.880 662 R CB 1.102 31.332 30.300 -0.118 0.000 1.100 662 R HN 0.123 nan 8.270 nan 0.000 0.453 663 Y N 0.677 121.004 120.300 0.045 0.000 2.715 663 Y HA 0.560 5.227 4.550 0.196 0.000 0.331 663 Y C -0.717 175.203 175.900 0.034 0.000 1.197 663 Y CA -1.158 56.963 58.100 0.035 0.000 1.079 663 Y CB 1.655 40.129 38.460 0.024 0.000 1.298 663 Y HN 0.386 nan 8.280 nan 0.000 0.477 664 L N 2.021 123.388 121.223 0.240 0.000 2.596 664 L HA 0.678 5.135 4.340 0.196 0.000 0.265 664 L C -2.233 174.728 176.870 0.152 0.000 0.962 664 L CA -0.175 54.755 54.840 0.149 0.000 0.891 664 L CB 0.839 42.962 42.059 0.106 0.000 1.248 664 L HN 0.449 nan 8.230 nan 0.000 0.410 665 I N 4.384 125.032 120.570 0.130 0.000 2.693 665 I HA 0.495 4.783 4.170 0.196 0.000 0.303 665 I C -1.271 174.960 176.117 0.190 0.000 1.025 665 I CA -0.593 60.788 61.300 0.135 0.000 1.086 665 I CB 1.968 39.993 38.000 0.040 0.000 1.268 665 I HN 0.582 nan 8.210 nan 0.000 0.440 666 Y N 4.807 125.166 120.300 0.097 0.000 2.402 666 Y HA 0.644 5.313 4.550 0.198 0.000 0.325 666 Y C -1.187 174.803 175.900 0.150 0.000 1.009 666 Y CA -0.981 57.177 58.100 0.097 0.000 1.278 666 Y CB 1.132 39.642 38.460 0.082 0.000 1.105 666 Y HN 0.313 nan 8.280 nan 0.000 0.476 667 V N 5.820 125.562 119.914 -0.286 0.000 2.405 667 V HA 0.036 4.274 4.120 0.196 0.000 0.264 667 V C 0.283 176.177 176.094 -0.332 0.000 1.048 667 V CA -0.392 61.836 62.300 -0.121 0.000 0.966 667 V CB 0.359 32.195 31.823 0.023 0.000 1.015 667 V HN 0.756 nan 8.190 nan 0.000 0.477 668 D N 4.708 125.046 120.400 -0.102 0.000 2.571 668 D HA -0.102 4.655 4.640 0.196 0.000 0.231 668 D C 0.945 177.291 176.300 0.076 0.000 1.133 668 D CA 0.136 54.131 54.000 -0.009 0.000 0.862 668 D CB 0.732 41.628 40.800 0.159 0.000 1.179 668 D HN 0.814 nan 8.370 nan 0.000 0.474 669 E N 1.608 121.824 120.200 0.026 0.000 1.999 669 E HA 0.237 4.705 4.350 0.196 0.000 0.296 669 E C -0.532 176.159 176.600 0.153 0.000 1.187 669 E CA -0.568 55.850 56.400 0.029 0.000 1.229 669 E CB -0.201 29.485 29.700 -0.022 0.000 1.131 669 E HN 0.156 nan 8.360 nan 0.000 0.478 670 S N 1.729 117.618 115.700 0.314 0.000 2.597 670 S HA 0.491 5.078 4.470 0.196 0.000 0.274 670 S C -1.422 173.330 174.600 0.254 0.000 1.132 670 S CA -0.859 57.491 58.200 0.250 0.000 0.835 670 S CB 1.368 64.664 63.200 0.160 0.000 1.092 670 S HN 0.492 nan 8.310 nan 0.000 0.457 671 R N 0.639 121.245 120.500 0.177 0.000 2.810 671 R HA 0.621 5.079 4.340 0.196 0.000 0.266 671 R C -1.456 174.926 176.300 0.136 0.000 1.061 671 R CA -0.936 55.231 56.100 0.111 0.000 0.943 671 R CB 1.787 32.120 30.300 0.055 0.000 1.237 671 R HN 0.689 nan 8.270 nan 0.000 0.459 672 E N 0.598 120.898 120.200 0.167 0.000 2.759 672 E HA 0.234 4.702 4.350 0.196 0.000 0.318 672 E C -1.226 175.528 176.600 0.257 0.000 1.093 672 E CA -0.346 56.195 56.400 0.235 0.000 0.762 672 E CB 1.237 31.134 29.700 0.328 0.000 1.543 672 E HN 0.350 nan 8.360 nan 0.000 0.381 673 c N 0.000 118.686 118.600 0.143 0.000 2.653 673 c HA 0.000 4.688 4.570 0.196 0.000 0.325 673 c CA 0.000 56.381 56.329 0.087 0.000 1.963 673 c CB 0.000 42.533 42.510 0.039 0.000 2.134 673 c HN 0.000 nan 8.230 nan 0.000 0.568