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 2o36_1_A DATA FIRST_RESID 24 DATA SEQUENCE LRWDLSAQQI EERTRELIEQ TKRVYDQVGT QEFEDVSYES TLKALADVEV DATA SEQUENCE TYTVQRNILD FPQHVSPSKD IRTASTEADK KLSEFDVEMS MREDVYQRIV DATA SEQUENCE WLQEKVQKDS LRPEAARYLE RLIKLGRRNG LHLPRETQEN IKRIKKKLSL DATA SEQUENCE LCIDFNKNLN EDTTFLPFTL QELGGLPEDF LNSLEKMEDG KLKVTLKYPH DATA SEQUENCE YFPLLKKCHV PETRRKVEEA FNSRCKEENS AILKELVTLR AQKSRLLGFH DATA SEQUENCE THADYVLEMN MAKTSQTVAT FLDELAQKLK PLGEQERAVI LELKRAECER DATA SEQUENCE RGLPFDGRIR AWDMRYYMNQ VEETRYCVDQ NLLKEYFPVQ VVTHGLLGIY DATA SEQUENCE QELLGLAFHH EEGASAWHED VRLYTARDAA SGEVVGKFYL DLYPREGKYG DATA SEQUENCE HAACFGLQPG CLRQDGSRQI AIAAMVANFT KPTADAPSLL QHDEVRTYFH DATA SEQUENCE EFGHVMHQLC SQAEFAMFSG THVETDFVEA PSQMLENWVW EQEPLLRMSR DATA SEQUENCE HYRTGSAVPR ELLEKLIESR QANTGLFNLR QIVLAKVDQA LHTQTDADPA DATA SEQUENCE EEYARLCQEI LGVPATPGTN MPATFGHLAG GYDAQYYGYL WSEVYSMDMF DATA SEQUENCE HTRFKQEGVL NSKVGMDYRS CILRPGGSED ASAMLRRFLG RDPKQDAFLL DATA SEQUENCE SKGL 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.519 176.870 -0.585 0.000 1.165 24 L CA 0.000 54.631 54.840 -0.348 0.000 0.813 24 L CB 0.000 41.791 42.059 -0.447 0.000 0.961 25 R N 0.245 120.315 120.500 -0.716 0.000 2.297 25 R HA 0.284 4.624 4.340 0.001 0.000 0.308 25 R C -0.681 175.189 176.300 -0.716 0.000 1.029 25 R CA 0.001 55.780 56.100 -0.535 0.000 0.929 25 R CB 0.766 30.890 30.300 -0.293 0.000 1.046 25 R HN 0.745 nan 8.270 nan 0.000 0.461 26 W N -0.106 121.247 121.300 0.088 0.000 2.324 26 W HA 0.040 4.701 4.660 0.001 0.000 0.316 26 W C 0.294 176.862 176.519 0.082 0.000 0.927 26 W CA -0.361 57.054 57.345 0.117 0.000 1.438 26 W CB 0.796 30.381 29.460 0.208 0.000 1.085 26 W HN 0.560 nan 8.180 nan 0.000 0.532 27 D N 0.867 121.400 120.400 0.220 0.000 2.587 27 D HA 0.142 4.782 4.640 0.001 0.000 0.233 27 D C 0.004 176.354 176.300 0.083 0.000 1.213 27 D CA 0.157 54.242 54.000 0.142 0.000 0.827 27 D CB -0.410 40.450 40.800 0.099 0.000 1.006 27 D HN 0.016 nan 8.370 nan 0.000 0.490 28 L N 1.300 122.573 121.223 0.084 0.000 2.331 28 L HA 0.290 4.630 4.340 0.001 0.000 0.278 28 L C 0.959 177.849 176.870 0.035 0.000 1.106 28 L CA -0.674 54.189 54.840 0.038 0.000 0.824 28 L CB 1.239 43.308 42.059 0.018 0.000 1.142 28 L HN 0.194 nan 8.230 nan 0.000 0.443 29 S N 2.033 117.742 115.700 0.015 0.000 2.681 29 S HA 0.395 4.865 4.470 0.001 0.000 0.270 29 S C 1.084 175.681 174.600 -0.005 0.000 1.209 29 S CA -0.165 58.039 58.200 0.008 0.000 0.988 29 S CB 1.551 64.754 63.200 0.003 0.000 1.006 29 S HN 0.670 nan 8.310 nan 0.000 0.558 30 A N 0.002 122.816 122.820 -0.011 0.000 1.972 30 A HA -0.124 4.197 4.320 0.001 0.000 0.219 30 A C 2.283 179.854 177.584 -0.020 0.000 1.169 30 A CA 1.728 53.753 52.037 -0.020 0.000 0.635 30 A CB -1.138 17.848 19.000 -0.022 0.000 0.810 30 A HN 0.935 nan 8.150 nan 0.000 0.446 31 Q N -0.588 119.202 119.800 -0.016 0.000 2.079 31 Q HA -0.222 4.118 4.340 0.001 0.000 0.200 31 Q C 2.164 178.153 176.000 -0.020 0.000 0.974 31 Q CA 1.658 57.451 55.803 -0.017 0.000 0.840 31 Q CB -0.162 28.568 28.738 -0.013 0.000 0.898 31 Q HN 0.798 nan 8.270 nan 0.000 0.430 32 Q N 0.039 119.828 119.800 -0.018 0.000 2.119 32 Q HA -0.128 4.212 4.340 0.001 0.000 0.201 32 Q C 2.116 178.099 176.000 -0.028 0.000 0.972 32 Q CA 1.225 57.015 55.803 -0.021 0.000 0.847 32 Q CB -0.009 28.718 28.738 -0.017 0.000 0.903 32 Q HN 0.473 nan 8.270 nan 0.000 0.433 33 I N 0.793 121.346 120.570 -0.027 0.000 2.179 33 I HA -0.281 3.890 4.170 0.001 0.000 0.242 33 I C 2.543 178.637 176.117 -0.039 0.000 1.088 33 I CA 1.228 62.507 61.300 -0.035 0.000 1.357 33 I CB -0.300 37.679 38.000 -0.035 0.000 1.051 33 I HN 0.313 nan 8.210 nan 0.000 0.409 34 E N 1.233 121.412 120.200 -0.034 0.000 2.038 34 E HA -0.274 4.077 4.350 0.001 0.000 0.195 34 E C 2.015 178.593 176.600 -0.036 0.000 1.000 34 E CA 1.690 58.069 56.400 -0.034 0.000 0.803 34 E CB 0.025 29.708 29.700 -0.028 0.000 0.750 34 E HN 0.507 nan 8.360 nan 0.000 0.448 35 E N 0.029 120.209 120.200 -0.033 0.000 2.051 35 E HA -0.178 4.173 4.350 0.001 0.000 0.192 35 E C 2.342 178.918 176.600 -0.041 0.000 0.991 35 E CA 0.916 57.295 56.400 -0.034 0.000 0.799 35 E CB -0.092 29.591 29.700 -0.029 0.000 0.748 35 E HN 0.183 nan 8.360 nan 0.000 0.449 36 R N 0.260 120.734 120.500 -0.044 0.000 2.120 36 R HA -0.092 4.249 4.340 0.001 0.000 0.234 36 R C 2.408 178.672 176.300 -0.060 0.000 1.123 36 R CA 1.599 57.669 56.100 -0.051 0.000 0.975 36 R CB -0.279 29.988 30.300 -0.056 0.000 0.866 36 R HN 0.133 nan 8.270 nan 0.000 0.446 37 T N 0.333 114.850 114.554 -0.061 0.000 2.737 37 T HA -0.098 4.252 4.350 0.001 0.000 0.265 37 T C 1.763 176.412 174.700 -0.086 0.000 1.038 37 T CA 1.068 63.126 62.100 -0.070 0.000 1.144 37 T CB -0.088 68.745 68.868 -0.057 0.000 0.866 37 T HN 0.266 nan 8.240 nan 0.000 0.434 38 R N 0.855 121.311 120.500 -0.074 0.000 2.081 38 R HA -0.072 4.269 4.340 0.001 0.000 0.235 38 R C 2.558 178.805 176.300 -0.088 0.000 1.131 38 R CA 1.425 57.475 56.100 -0.082 0.000 0.960 38 R CB -0.201 30.064 30.300 -0.057 0.000 0.856 38 R HN 0.552 nan 8.270 nan 0.000 0.436 39 E N 0.541 120.701 120.200 -0.066 0.000 2.077 39 E HA -0.209 4.142 4.350 0.001 0.000 0.193 39 E C 1.961 178.527 176.600 -0.057 0.000 0.989 39 E CA 0.952 57.320 56.400 -0.054 0.000 0.800 39 E CB -0.130 29.547 29.700 -0.040 0.000 0.746 39 E HN 0.084 nan 8.360 nan 0.000 0.452 40 L N 1.284 122.470 121.223 -0.061 0.000 2.012 40 L HA -0.187 4.154 4.340 0.001 0.000 0.210 40 L C 2.073 178.897 176.870 -0.077 0.000 1.073 40 L CA 1.625 56.447 54.840 -0.030 0.000 0.748 40 L CB -0.318 41.720 42.059 -0.034 0.000 0.891 40 L HN 0.132 nan 8.230 nan 0.000 0.431 41 I N -0.593 119.835 120.570 -0.237 0.000 2.226 41 I HA -0.298 3.873 4.170 0.001 0.000 0.245 41 I C 2.548 178.433 176.117 -0.387 0.000 1.100 41 I CA 1.706 62.637 61.300 -0.615 0.000 1.374 41 I CB -0.444 37.161 38.000 -0.659 0.000 1.057 41 I HN 0.473 nan 8.210 nan 0.000 0.413 42 E N 0.988 121.077 120.200 -0.186 0.000 2.051 42 E HA -0.277 4.073 4.350 0.001 0.000 0.192 42 E C 2.200 178.786 176.600 -0.023 0.000 0.991 42 E CA 1.403 57.753 56.400 -0.083 0.000 0.799 42 E CB -0.003 29.665 29.700 -0.054 0.000 0.748 42 E HN 0.532 nan 8.360 nan 0.000 0.449 43 Q N -0.354 119.439 119.800 -0.011 0.000 2.084 43 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 43 Q C 2.243 178.294 176.000 0.085 0.000 0.978 43 Q CA 2.013 57.836 55.803 0.033 0.000 0.844 43 Q CB -0.018 28.738 28.738 0.031 0.000 0.898 43 Q HN 0.289 nan 8.270 nan 0.000 0.426 44 T N 1.024 115.646 114.554 0.114 0.000 2.777 44 T HA -0.138 4.212 4.350 0.001 0.000 0.266 44 T C 1.689 176.607 174.700 0.363 0.000 1.040 44 T CA 1.208 63.455 62.100 0.245 0.000 1.141 44 T CB -0.118 68.930 68.868 0.300 0.000 0.868 44 T HN 0.216 nan 8.240 nan 0.000 0.444 45 K N 1.141 121.723 120.400 0.302 0.000 2.147 45 K HA -0.096 4.225 4.320 0.001 0.000 0.205 45 K C 2.482 179.225 176.600 0.238 0.000 1.049 45 K CA 0.964 57.455 56.287 0.340 0.000 0.936 45 K CB -0.068 32.575 32.500 0.238 0.000 0.722 45 K HN 0.166 nan 8.250 nan 0.000 0.446 46 R N 0.322 120.915 120.500 0.154 0.000 2.091 46 R HA -0.126 4.215 4.340 0.001 0.000 0.238 46 R C 1.902 178.262 176.300 0.100 0.000 1.136 46 R CA 1.613 57.775 56.100 0.103 0.000 0.959 46 R CB -0.142 30.198 30.300 0.066 0.000 0.856 46 R HN 0.077 nan 8.270 nan 0.000 0.437 47 V N 0.134 120.116 119.914 0.113 0.000 2.307 47 V HA -0.223 3.897 4.120 0.001 0.000 0.245 47 V C 1.880 177.965 176.094 -0.015 0.000 1.045 47 V CA 1.633 63.949 62.300 0.026 0.000 1.024 47 V CB -0.667 31.142 31.823 -0.023 0.000 0.651 47 V HN 0.319 nan 8.190 nan 0.000 0.449 48 Y N 0.725 121.040 120.300 0.026 0.000 2.181 48 Y HA -0.210 4.341 4.550 0.001 0.000 0.288 48 Y C 2.520 178.428 175.900 0.012 0.000 1.146 48 Y CA 1.745 59.848 58.100 0.005 0.000 1.164 48 Y CB -0.456 37.995 38.460 -0.015 0.000 0.982 48 Y HN 0.301 nan 8.280 nan 0.000 0.515 49 D N -0.235 120.270 120.400 0.174 0.000 2.117 49 D HA -0.184 4.456 4.640 0.001 0.000 0.197 49 D C 2.031 178.371 176.300 0.066 0.000 0.987 49 D CA 1.368 55.432 54.000 0.106 0.000 0.829 49 D CB -0.397 40.458 40.800 0.091 0.000 0.961 49 D HN 0.459 nan 8.370 nan 0.000 0.460 50 Q N 0.137 119.966 119.800 0.048 0.000 2.061 50 Q HA -0.109 4.232 4.340 0.001 0.000 0.204 50 Q C 2.421 178.431 176.000 0.016 0.000 0.984 50 Q CA 0.991 56.809 55.803 0.025 0.000 0.846 50 Q CB -0.038 28.705 28.738 0.009 0.000 0.902 50 Q HN 0.142 nan 8.270 nan 0.000 0.421 51 V N 0.292 120.199 119.914 -0.012 0.000 2.295 51 V HA -0.189 3.932 4.120 0.001 0.000 0.246 51 V C 2.183 178.287 176.094 0.016 0.000 1.049 51 V CA 1.940 64.225 62.300 -0.024 0.000 1.024 51 V CB -1.081 30.682 31.823 -0.101 0.000 0.648 51 V HN 0.557 nan 8.190 nan 0.000 0.447 52 G N -0.159 108.661 108.800 0.034 0.000 2.535 52 G HA2 -0.183 3.777 3.960 0.001 0.000 0.218 52 G HA3 -0.183 3.777 3.960 0.001 0.000 0.218 52 G C 1.361 176.294 174.900 0.055 0.000 1.122 52 G CA 1.449 46.575 45.100 0.043 0.000 0.769 52 G HN 0.617 nan 8.290 nan 0.000 0.549 53 T N -2.279 112.314 114.554 0.065 0.000 3.085 53 T HA 0.320 4.670 4.350 0.001 0.000 0.264 53 T C 0.683 175.445 174.700 0.104 0.000 1.019 53 T CA -0.403 61.745 62.100 0.081 0.000 0.910 53 T CB 0.177 69.083 68.868 0.063 0.000 1.059 53 T HN 0.314 nan 8.240 nan 0.000 0.542 54 Q N 1.578 121.446 119.800 0.114 0.000 2.421 54 Q HA 0.232 4.573 4.340 0.001 0.000 0.255 54 Q C -0.178 175.943 176.000 0.202 0.000 1.013 54 Q CA 0.235 56.111 55.803 0.122 0.000 0.895 54 Q CB 0.802 29.603 28.738 0.104 0.000 1.271 54 Q HN 0.539 nan 8.270 nan 0.000 0.460 55 E N 0.916 121.191 120.200 0.125 0.000 2.313 55 E HA 0.014 4.365 4.350 0.001 0.000 0.272 55 E C 0.175 176.774 176.600 -0.001 0.000 1.038 55 E CA -0.308 56.157 56.400 0.109 0.000 0.863 55 E CB 0.589 30.318 29.700 0.049 0.000 1.060 55 E HN 0.536 nan 8.360 nan 0.000 0.402 56 F N 2.687 122.391 119.950 -0.410 0.000 2.085 56 F HA -0.324 4.203 4.527 0.001 0.000 0.299 56 F C 2.156 177.745 175.800 -0.351 0.000 1.096 56 F CA 2.382 59.915 58.000 -0.778 0.000 1.227 56 F CB 0.036 38.321 39.000 -1.192 0.000 0.983 56 F HN 0.639 nan 8.300 nan 0.000 0.482 57 E N -0.342 119.726 120.200 -0.220 0.000 2.160 57 E HA -0.240 4.111 4.350 0.001 0.000 0.195 57 E C 1.350 177.817 176.600 -0.222 0.000 0.991 57 E CA 1.615 57.892 56.400 -0.206 0.000 0.810 57 E CB -0.205 29.470 29.700 -0.042 0.000 0.742 57 E HN 0.492 nan 8.360 nan 0.000 0.466 58 D N -0.040 120.267 120.400 -0.156 0.000 2.340 58 D HA 0.011 4.652 4.640 0.001 0.000 0.220 58 D C -0.168 176.067 176.300 -0.107 0.000 1.039 58 D CA 0.096 54.036 54.000 -0.101 0.000 0.866 58 D CB 0.523 41.299 40.800 -0.041 0.000 0.913 58 D HN 0.006 nan 8.370 nan 0.000 0.523 59 V N 1.807 121.615 119.914 -0.178 0.000 2.479 59 V HA 0.178 4.299 4.120 0.001 0.000 0.281 59 V C 0.665 176.683 176.094 -0.127 0.000 1.031 59 V CA 0.144 62.370 62.300 -0.123 0.000 1.038 59 V CB 0.807 32.559 31.823 -0.118 0.000 0.981 59 V HN 0.189 nan 8.190 nan 0.000 0.478 60 S N 4.034 119.704 115.700 -0.050 0.000 2.671 60 S HA 0.437 4.908 4.470 0.001 0.000 0.277 60 S C 0.234 174.869 174.600 0.057 0.000 1.165 60 S CA -0.576 57.624 58.200 -0.000 0.000 0.822 60 S CB 1.109 64.314 63.200 0.009 0.000 1.150 60 S HN 0.538 nan 8.310 nan 0.000 0.479 61 Y N 1.435 121.730 120.300 -0.009 0.000 2.097 61 Y HA -0.099 4.452 4.550 0.001 0.000 0.282 61 Y C 2.065 177.981 175.900 0.027 0.000 1.152 61 Y CA 2.578 60.692 58.100 0.022 0.000 1.136 61 Y CB -0.506 37.973 38.460 0.031 0.000 0.975 61 Y HN 0.835 nan 8.280 nan 0.000 0.498 62 E N -0.083 120.236 120.200 0.199 0.000 2.051 62 E HA -0.180 4.171 4.350 0.001 0.000 0.192 62 E C 2.460 179.049 176.600 -0.020 0.000 0.991 62 E CA 1.851 58.305 56.400 0.089 0.000 0.799 62 E CB -0.454 29.317 29.700 0.118 0.000 0.748 62 E HN 0.534 nan 8.360 nan 0.000 0.449 63 S N -1.254 114.438 115.700 -0.013 0.000 2.489 63 S HA 0.019 4.490 4.470 0.001 0.000 0.228 63 S C 1.658 176.225 174.600 -0.055 0.000 0.995 63 S CA 1.140 59.321 58.200 -0.032 0.000 0.934 63 S CB 0.079 63.267 63.200 -0.019 0.000 0.771 63 S HN 0.145 nan 8.310 nan 0.000 0.522 64 T N 1.404 115.916 114.554 -0.071 0.000 3.238 64 T HA 0.345 4.695 4.350 0.001 0.000 0.242 64 T C 1.558 176.193 174.700 -0.108 0.000 0.980 64 T CA 0.328 62.379 62.100 -0.080 0.000 1.235 64 T CB -0.552 68.286 68.868 -0.050 0.000 1.069 64 T HN 0.236 nan 8.240 nan 0.000 0.407 65 L N 1.162 122.291 121.223 -0.156 0.000 2.005 65 L HA 0.080 4.420 4.340 0.001 0.000 0.207 65 L C 2.568 179.361 176.870 -0.129 0.000 1.072 65 L CA 1.669 56.430 54.840 -0.132 0.000 0.744 65 L CB -0.221 41.672 42.059 -0.277 0.000 0.895 65 L HN 0.129 nan 8.230 nan 0.000 0.433 66 K N -0.329 119.871 120.400 -0.334 0.000 2.097 66 K HA -0.179 4.141 4.320 0.001 0.000 0.206 66 K C 1.979 178.498 176.600 -0.136 0.000 1.049 66 K CA 1.181 57.328 56.287 -0.233 0.000 0.933 66 K CB -0.129 32.253 32.500 -0.196 0.000 0.717 66 K HN 0.491 nan 8.250 nan 0.000 0.442 67 A N 1.305 124.053 122.820 -0.120 0.000 1.883 67 A HA -0.164 4.157 4.320 0.001 0.000 0.217 67 A C 2.085 179.593 177.584 -0.127 0.000 1.186 67 A CA 1.390 53.362 52.037 -0.109 0.000 0.624 67 A CB -0.635 18.300 19.000 -0.107 0.000 0.822 67 A HN 0.299 nan 8.150 nan 0.000 0.444 68 L N -1.023 120.126 121.223 -0.124 0.000 2.093 68 L HA -0.144 4.197 4.340 0.001 0.000 0.208 68 L C 3.094 179.960 176.870 -0.006 0.000 1.085 68 L CA 0.918 55.680 54.840 -0.129 0.000 0.755 68 L CB -0.532 41.473 42.059 -0.089 0.000 0.904 68 L HN 0.450 nan 8.230 nan 0.000 0.435 69 A N -0.054 122.771 122.820 0.007 0.000 1.902 69 A HA -0.218 4.103 4.320 0.001 0.000 0.217 69 A C 1.921 179.411 177.584 -0.156 0.000 1.181 69 A CA 1.903 53.849 52.037 -0.152 0.000 0.623 69 A CB -0.470 18.329 19.000 -0.335 0.000 0.818 69 A HN 0.332 nan 8.150 nan 0.000 0.443 70 D N -0.594 119.723 120.400 -0.138 0.000 2.117 70 D HA -0.110 4.530 4.640 0.001 0.000 0.197 70 D C 1.948 178.221 176.300 -0.045 0.000 0.987 70 D CA 1.389 55.325 54.000 -0.107 0.000 0.829 70 D CB -0.605 40.139 40.800 -0.093 0.000 0.961 70 D HN 0.186 nan 8.370 nan 0.000 0.460 71 V N 0.943 120.840 119.914 -0.029 0.000 2.626 71 V HA -0.186 3.934 4.120 0.001 0.000 0.252 71 V C 2.146 178.306 176.094 0.109 0.000 1.067 71 V CA 1.731 64.052 62.300 0.035 0.000 1.081 71 V CB -0.139 31.688 31.823 0.006 0.000 0.686 71 V HN 0.140 nan 8.190 nan 0.000 0.468 72 E N -0.597 119.650 120.200 0.079 0.000 2.106 72 E HA -0.161 4.190 4.350 0.001 0.000 0.192 72 E C 2.139 178.819 176.600 0.133 0.000 0.984 72 E CA 1.580 58.064 56.400 0.139 0.000 0.806 72 E CB 0.069 29.823 29.700 0.091 0.000 0.750 72 E HN 0.555 nan 8.360 nan 0.000 0.458 73 V N 1.038 120.980 119.914 0.045 0.000 2.261 73 V HA -0.291 3.829 4.120 0.001 0.000 0.246 73 V C 2.749 178.873 176.094 0.049 0.000 1.047 73 V CA 2.288 64.601 62.300 0.022 0.000 1.015 73 V CB -1.166 30.635 31.823 -0.038 0.000 0.642 73 V HN 0.541 nan 8.190 nan 0.000 0.446 74 T N -1.752 112.837 114.554 0.059 0.000 2.788 74 T HA -0.301 4.049 4.350 0.001 0.000 0.268 74 T C 1.873 176.634 174.700 0.102 0.000 1.044 74 T CA 2.054 64.190 62.100 0.060 0.000 1.139 74 T CB -0.656 68.248 68.868 0.059 0.000 0.867 74 T HN 0.494 nan 8.240 nan 0.000 0.454 75 Y N 2.425 122.752 120.300 0.045 0.000 2.163 75 Y HA -0.077 4.473 4.550 0.001 0.000 0.288 75 Y C 2.694 178.628 175.900 0.056 0.000 1.136 75 Y CA 1.941 60.083 58.100 0.070 0.000 1.147 75 Y CB -0.823 37.718 38.460 0.135 0.000 0.987 75 Y HN 0.211 nan 8.280 nan 0.000 0.509 76 T N -0.015 114.601 114.554 0.103 0.000 2.684 76 T HA -0.215 4.135 4.350 0.001 0.000 0.267 76 T C 2.059 176.712 174.700 -0.078 0.000 1.036 76 T CA 1.836 63.938 62.100 0.004 0.000 1.148 76 T CB -0.859 68.071 68.868 0.103 0.000 0.863 76 T HN 0.217 nan 8.240 nan 0.000 0.436 77 V N 1.609 121.493 119.914 -0.049 0.000 2.255 77 V HA -0.213 3.907 4.120 0.001 0.000 0.247 77 V C 2.831 178.855 176.094 -0.116 0.000 1.051 77 V CA 1.660 63.920 62.300 -0.066 0.000 1.018 77 V CB -0.610 31.183 31.823 -0.049 0.000 0.641 77 V HN 0.422 nan 8.190 nan 0.000 0.445 78 Q N -0.405 119.310 119.800 -0.142 0.000 2.079 78 Q HA -0.184 4.156 4.340 0.001 0.000 0.200 78 Q C 2.392 178.263 176.000 -0.214 0.000 0.974 78 Q CA 1.516 57.219 55.803 -0.167 0.000 0.840 78 Q CB -0.528 28.122 28.738 -0.146 0.000 0.898 78 Q HN 0.561 nan 8.270 nan 0.000 0.430 79 R N 0.713 121.002 120.500 -0.351 0.000 2.091 79 R HA -0.130 4.210 4.340 0.001 0.000 0.238 79 R C 1.611 177.823 176.300 -0.146 0.000 1.136 79 R CA 1.321 57.215 56.100 -0.344 0.000 0.959 79 R CB 0.025 29.981 30.300 -0.574 0.000 0.856 79 R HN 0.251 nan 8.270 nan 0.000 0.437 80 N N 0.770 119.408 118.700 -0.104 0.000 2.166 80 N HA -0.142 4.599 4.740 0.001 0.000 0.186 80 N C 1.869 177.393 175.510 0.024 0.000 1.019 80 N CA 1.263 54.301 53.050 -0.020 0.000 0.856 80 N CB -0.214 38.257 38.487 -0.028 0.000 0.993 80 N HN 0.326 nan 8.380 nan 0.000 0.426 81 I N 0.700 121.248 120.570 -0.038 0.000 2.286 81 I HA -0.202 3.969 4.170 0.001 0.000 0.248 81 I C 1.869 178.005 176.117 0.032 0.000 1.115 81 I CA 0.823 62.102 61.300 -0.034 0.000 1.392 81 I CB -0.122 37.765 38.000 -0.188 0.000 1.065 81 I HN 0.056 nan 8.210 nan 0.000 0.418 82 L N 0.538 121.746 121.223 -0.025 0.000 2.179 82 L HA -0.143 4.197 4.340 0.001 0.000 0.208 82 L C 1.768 178.623 176.870 -0.024 0.000 1.096 82 L CA 1.071 55.892 54.840 -0.031 0.000 0.779 82 L CB -0.551 41.469 42.059 -0.066 0.000 0.922 82 L HN 0.366 nan 8.230 nan 0.000 0.443 83 D N -1.676 118.724 120.400 -0.000 0.000 2.339 83 D HA -0.147 4.493 4.640 0.001 0.000 0.217 83 D C 1.800 178.092 176.300 -0.014 0.000 1.050 83 D CA -0.014 53.976 54.000 -0.017 0.000 0.856 83 D CB -0.155 40.660 40.800 0.025 0.000 0.922 83 D HN 0.140 nan 8.370 nan 0.000 0.518 84 F N 1.734 121.603 119.950 -0.134 0.000 2.187 84 F HA 0.209 4.737 4.527 0.001 0.000 0.295 84 F C -1.004 174.557 175.800 -0.399 0.000 1.091 84 F CA -0.268 57.593 58.000 -0.231 0.000 1.308 84 F CB -1.041 37.836 39.000 -0.206 0.000 1.030 84 F HN -0.113 nan 8.300 nan 0.000 0.487 85 P HA -0.269 nan 4.420 nan 0.000 0.217 85 P C 1.306 178.281 177.300 -0.543 0.000 1.148 85 P CA 2.354 65.152 63.100 -0.504 0.000 0.834 85 P CB -0.495 31.084 31.700 -0.201 0.000 0.783 86 Q N -1.010 118.474 119.800 -0.527 0.000 2.297 86 Q HA -0.225 4.116 4.340 0.001 0.000 0.208 86 Q C 1.119 176.769 176.000 -0.583 0.000 0.981 86 Q CA 1.705 57.198 55.803 -0.516 0.000 0.876 86 Q CB -1.050 27.371 28.738 -0.528 0.000 0.921 86 Q HN 0.432 nan 8.270 nan 0.000 0.446 87 H N -0.398 118.337 119.070 -0.557 0.000 2.562 87 H HA 0.109 4.665 4.556 0.001 0.000 0.267 87 H C 1.612 176.566 175.328 -0.623 0.000 0.959 87 H CA 0.796 56.501 56.048 -0.571 0.000 1.204 87 H CB 1.073 30.302 29.762 -0.889 0.000 1.430 87 H HN 0.308 nan 8.280 nan 0.000 0.545 88 V N -4.241 115.223 119.914 -0.749 0.000 3.408 88 V HA 0.173 4.293 4.120 0.001 0.000 0.263 88 V C 0.791 176.646 176.094 -0.398 0.000 1.503 88 V CA -0.262 61.652 62.300 -0.643 0.000 1.046 88 V CB 0.517 31.644 31.823 -1.159 0.000 0.851 88 V HN 0.116 nan 8.190 nan 0.000 0.435 89 S N 3.707 119.159 115.700 -0.413 0.000 2.546 89 S HA 0.201 4.672 4.470 0.001 0.000 0.290 89 S C -0.627 173.916 174.600 -0.094 0.000 1.290 89 S CA 0.066 58.155 58.200 -0.185 0.000 1.069 89 S CB 0.992 64.089 63.200 -0.171 0.000 0.846 89 S HN 0.541 nan 8.310 nan 0.000 0.495 90 P HA 0.054 nan 4.420 nan 0.000 0.241 90 P C 0.102 177.399 177.300 -0.005 0.000 1.191 90 P CA 0.154 63.259 63.100 0.007 0.000 0.771 90 P CB 0.076 31.834 31.700 0.097 0.000 0.929 91 S N 0.374 116.066 115.700 -0.015 0.000 2.452 91 S HA 0.212 4.682 4.470 0.001 0.000 0.284 91 S C 1.219 175.794 174.600 -0.042 0.000 1.171 91 S CA -0.661 57.528 58.200 -0.018 0.000 1.064 91 S CB 0.870 64.066 63.200 -0.007 0.000 0.967 91 S HN -0.092 nan 8.310 nan 0.000 0.484 92 K N 3.466 123.844 120.400 -0.037 0.000 2.097 92 K HA -0.110 4.211 4.320 0.001 0.000 0.205 92 K C 0.830 177.402 176.600 -0.047 0.000 1.050 92 K CA 1.642 57.901 56.287 -0.047 0.000 0.938 92 K CB -0.079 32.398 32.500 -0.037 0.000 0.718 92 K HN 0.660 nan 8.250 nan 0.000 0.442 93 D N 0.847 121.226 120.400 -0.036 0.000 2.117 93 D HA -0.164 4.477 4.640 0.001 0.000 0.197 93 D C 1.934 178.208 176.300 -0.043 0.000 0.987 93 D CA 1.192 55.172 54.000 -0.034 0.000 0.829 93 D CB -0.091 40.695 40.800 -0.023 0.000 0.961 93 D HN 0.303 nan 8.370 nan 0.000 0.460 94 I N 0.473 121.016 120.570 -0.044 0.000 2.252 94 I HA -0.216 3.954 4.170 0.001 0.000 0.245 94 I C 2.605 178.668 176.117 -0.089 0.000 1.102 94 I CA 0.811 62.079 61.300 -0.054 0.000 1.385 94 I CB -0.092 37.883 38.000 -0.041 0.000 1.064 94 I HN -0.118 nan 8.210 nan 0.000 0.414 95 R N 0.465 120.901 120.500 -0.107 0.000 2.073 95 R HA -0.171 4.170 4.340 0.001 0.000 0.234 95 R C 2.507 178.732 176.300 -0.126 0.000 1.134 95 R CA 2.308 58.320 56.100 -0.147 0.000 0.952 95 R CB -0.507 29.708 30.300 -0.143 0.000 0.850 95 R HN 0.520 nan 8.270 nan 0.000 0.433 96 T N -1.891 112.610 114.554 -0.089 0.000 2.788 96 T HA -0.047 4.304 4.350 0.001 0.000 0.268 96 T C 1.990 176.650 174.700 -0.067 0.000 1.044 96 T CA 1.085 63.142 62.100 -0.072 0.000 1.139 96 T CB -0.246 68.591 68.868 -0.052 0.000 0.867 96 T HN 0.251 nan 8.240 nan 0.000 0.454 97 A N 1.261 124.043 122.820 -0.064 0.000 1.929 97 A HA 0.070 4.390 4.320 0.001 0.000 0.216 97 A C 2.685 180.229 177.584 -0.067 0.000 1.176 97 A CA 1.801 53.805 52.037 -0.055 0.000 0.628 97 A CB -1.147 17.825 19.000 -0.046 0.000 0.816 97 A HN 0.544 nan 8.150 nan 0.000 0.444 98 S N -0.868 114.777 115.700 -0.092 0.000 2.383 98 S HA -0.132 4.338 4.470 0.001 0.000 0.227 98 S C 2.041 176.572 174.600 -0.116 0.000 1.026 98 S CA 2.165 60.297 58.200 -0.112 0.000 0.981 98 S CB -0.559 62.540 63.200 -0.168 0.000 0.818 98 S HN 0.583 nan 8.310 nan 0.000 0.472 99 T N 2.019 116.500 114.554 -0.122 0.000 2.746 99 T HA -0.026 4.324 4.350 0.001 0.000 0.267 99 T C 1.768 176.433 174.700 -0.057 0.000 1.039 99 T CA 1.287 63.326 62.100 -0.101 0.000 1.142 99 T CB -0.314 68.499 68.868 -0.091 0.000 0.866 99 T HN 0.376 nan 8.240 nan 0.000 0.444 100 E N 1.156 121.326 120.200 -0.050 0.000 2.106 100 E HA 0.021 4.372 4.350 0.001 0.000 0.192 100 E C 2.514 179.099 176.600 -0.025 0.000 0.984 100 E CA 1.000 57.382 56.400 -0.031 0.000 0.806 100 E CB -0.497 29.185 29.700 -0.030 0.000 0.750 100 E HN 0.497 nan 8.360 nan 0.000 0.458 101 A N 1.619 124.418 122.820 -0.035 0.000 1.902 101 A HA -0.212 4.108 4.320 0.001 0.000 0.217 101 A C 2.047 179.624 177.584 -0.011 0.000 1.181 101 A CA 1.857 53.876 52.037 -0.029 0.000 0.623 101 A CB -0.487 18.487 19.000 -0.042 0.000 0.818 101 A HN 0.161 nan 8.150 nan 0.000 0.443 102 D N -0.179 120.210 120.400 -0.017 0.000 2.123 102 D HA -0.155 4.486 4.640 0.001 0.000 0.196 102 D C 1.885 178.202 176.300 0.029 0.000 0.992 102 D CA 1.556 55.560 54.000 0.007 0.000 0.833 102 D CB -0.172 40.623 40.800 -0.008 0.000 0.954 102 D HN 0.499 nan 8.370 nan 0.000 0.455 103 K N 0.064 120.474 120.400 0.016 0.000 2.026 103 K HA -0.106 4.215 4.320 0.001 0.000 0.208 103 K C 2.327 178.952 176.600 0.042 0.000 1.048 103 K CA 1.038 57.341 56.287 0.026 0.000 0.929 103 K CB 0.025 32.532 32.500 0.012 0.000 0.713 103 K HN 0.125 nan 8.250 nan 0.000 0.439 104 K N 0.813 121.235 120.400 0.036 0.000 2.057 104 K HA -0.081 4.239 4.320 0.001 0.000 0.206 104 K C 2.143 178.808 176.600 0.109 0.000 1.050 104 K CA 1.084 57.401 56.287 0.050 0.000 0.935 104 K CB -0.114 32.396 32.500 0.016 0.000 0.715 104 K HN 0.089 nan 8.250 nan 0.000 0.439 105 L N 0.529 121.821 121.223 0.116 0.000 2.109 105 L HA -0.128 4.213 4.340 0.001 0.000 0.207 105 L C 2.372 179.393 176.870 0.251 0.000 1.086 105 L CA 0.852 55.828 54.840 0.227 0.000 0.760 105 L CB -0.278 41.879 42.059 0.162 0.000 0.910 105 L HN 0.073 nan 8.230 nan 0.000 0.437 106 S N -0.327 115.459 115.700 0.144 0.000 2.368 106 S HA -0.167 4.303 4.470 0.001 0.000 0.224 106 S C 1.833 176.479 174.600 0.075 0.000 1.029 106 S CA 1.157 59.418 58.200 0.101 0.000 0.988 106 S CB -0.130 63.109 63.200 0.065 0.000 0.838 106 S HN 0.436 nan 8.310 nan 0.000 0.462 107 E N 0.262 120.512 120.200 0.083 0.000 2.077 107 E HA -0.154 4.197 4.350 0.001 0.000 0.193 107 E C 1.797 178.438 176.600 0.068 0.000 0.989 107 E CA 1.129 57.564 56.400 0.058 0.000 0.800 107 E CB -0.240 29.497 29.700 0.062 0.000 0.746 107 E HN 0.509 nan 8.360 nan 0.000 0.452 108 F N 2.528 122.463 119.950 -0.025 0.000 2.126 108 F HA -0.212 4.315 4.527 0.000 0.000 0.299 108 F C 1.613 177.337 175.800 -0.127 0.000 1.096 108 F CA 1.578 59.538 58.000 -0.065 0.000 1.255 108 F CB -0.137 38.847 39.000 -0.026 0.000 0.997 108 F HN -0.104 nan 8.300 nan 0.000 0.479 109 D N 0.130 120.420 120.400 -0.183 0.000 2.104 109 D HA -0.168 4.473 4.640 0.001 0.000 0.194 109 D C 2.555 178.662 176.300 -0.321 0.000 0.994 109 D CA 1.791 55.603 54.000 -0.313 0.000 0.830 109 D CB -0.658 40.106 40.800 -0.060 0.000 0.959 109 D HN 0.262 nan 8.370 nan 0.000 0.452 110 V N 0.930 120.731 119.914 -0.189 0.000 2.358 110 V HA -0.202 3.918 4.120 0.001 0.000 0.246 110 V C 2.444 178.414 176.094 -0.207 0.000 1.047 110 V CA 1.624 63.829 62.300 -0.159 0.000 1.035 110 V CB -0.442 31.328 31.823 -0.088 0.000 0.658 110 V HN 0.218 nan 8.190 nan 0.000 0.452 111 E N -0.262 119.798 120.200 -0.235 0.000 2.058 111 E HA -0.252 4.098 4.350 0.001 0.000 0.194 111 E C 2.289 178.684 176.600 -0.343 0.000 0.997 111 E CA 1.542 57.802 56.400 -0.233 0.000 0.801 111 E CB -0.061 29.533 29.700 -0.176 0.000 0.746 111 E HN 0.361 nan 8.360 nan 0.000 0.450 112 M N 0.612 119.848 119.600 -0.607 0.000 2.229 112 M HA -0.113 4.367 4.480 0.001 0.000 0.264 112 M C 2.592 178.649 176.300 -0.404 0.000 1.063 112 M CA 1.512 56.381 55.300 -0.718 0.000 1.114 112 M CB -1.109 30.664 32.600 -1.378 0.000 1.387 112 M HN 0.152 nan 8.290 nan 0.000 0.420 113 S N -0.178 115.329 115.700 -0.321 0.000 2.423 113 S HA -0.070 4.400 4.470 0.001 0.000 0.231 113 S C 1.689 176.201 174.600 -0.145 0.000 1.014 113 S CA 0.865 58.953 58.200 -0.185 0.000 0.965 113 S CB -0.203 62.901 63.200 -0.160 0.000 0.785 113 S HN 0.378 nan 8.310 nan 0.000 0.495 114 M N 1.076 120.584 119.600 -0.152 0.000 2.495 114 M HA 0.299 4.779 4.480 0.001 0.000 0.237 114 M C 0.032 176.274 176.300 -0.096 0.000 1.131 114 M CA 0.151 55.377 55.300 -0.123 0.000 1.032 114 M CB -0.599 31.936 32.600 -0.109 0.000 1.513 114 M HN 0.144 nan 8.290 nan 0.000 0.488 115 R N 1.998 122.447 120.500 -0.084 0.000 2.446 115 R HA 0.011 4.351 4.340 0.001 0.000 0.325 115 R C 0.841 177.145 176.300 0.007 0.000 0.997 115 R CA 0.254 56.333 56.100 -0.035 0.000 1.010 115 R CB 0.003 30.298 30.300 -0.008 0.000 0.946 115 R HN 0.441 nan 8.270 nan 0.000 0.422 116 E N 1.441 121.639 120.200 -0.003 0.000 2.208 116 E HA -0.171 4.180 4.350 0.001 0.000 0.193 116 E C 1.049 177.660 176.600 0.019 0.000 0.988 116 E CA 1.177 57.590 56.400 0.021 0.000 0.828 116 E CB 0.219 29.915 29.700 -0.007 0.000 0.763 116 E HN 0.596 nan 8.360 nan 0.000 0.478 117 D N 0.919 121.319 120.400 0.000 0.000 2.117 117 D HA -0.135 4.505 4.640 0.001 0.000 0.198 117 D C 2.020 178.301 176.300 -0.032 0.000 0.982 117 D CA 0.834 54.819 54.000 -0.025 0.000 0.828 117 D CB -0.594 40.208 40.800 0.003 0.000 0.967 117 D HN 0.070 nan 8.370 nan 0.000 0.464 118 V N 0.024 119.953 119.914 0.025 0.000 2.358 118 V HA -0.242 3.879 4.120 0.001 0.000 0.246 118 V C 2.393 178.490 176.094 0.005 0.000 1.047 118 V CA 1.358 63.677 62.300 0.032 0.000 1.035 118 V CB -0.947 30.947 31.823 0.118 0.000 0.658 118 V HN 0.098 nan 8.190 nan 0.000 0.452 119 Y N 1.265 121.513 120.300 -0.088 0.000 2.207 119 Y HA -0.303 4.247 4.550 0.001 0.000 0.287 119 Y C 2.685 178.477 175.900 -0.180 0.000 1.156 119 Y CA 2.169 60.204 58.100 -0.109 0.000 1.182 119 Y CB -0.378 38.030 38.460 -0.087 0.000 0.979 119 Y HN 0.322 nan 8.280 nan 0.000 0.521 120 Q N 0.485 120.128 119.800 -0.262 0.000 2.096 120 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 120 Q C 2.038 177.609 176.000 -0.714 0.000 0.982 120 Q CA 1.981 57.432 55.803 -0.586 0.000 0.850 120 Q CB -0.182 28.150 28.738 -0.676 0.000 0.901 120 Q HN 0.260 nan 8.270 nan 0.000 0.422 121 R N -0.363 119.910 120.500 -0.378 0.000 2.115 121 R HA 0.111 4.452 4.340 0.001 0.000 0.226 121 R C 2.133 178.390 176.300 -0.073 0.000 1.100 121 R CA 1.195 57.248 56.100 -0.077 0.000 0.980 121 R CB -0.357 29.961 30.300 0.029 0.000 0.875 121 R HN 0.392 nan 8.270 nan 0.000 0.445 122 I N -0.514 119.927 120.570 -0.215 0.000 2.252 122 I HA -0.220 3.951 4.170 0.001 0.000 0.245 122 I C 1.781 177.744 176.117 -0.257 0.000 1.102 122 I CA 0.950 62.111 61.300 -0.232 0.000 1.385 122 I CB -0.201 37.617 38.000 -0.302 0.000 1.064 122 I HN -0.065 nan 8.210 nan 0.000 0.414 123 V N -0.018 119.643 119.914 -0.423 0.000 2.407 123 V HA -0.249 3.871 4.120 0.001 0.000 0.248 123 V C 2.225 178.317 176.094 -0.003 0.000 1.055 123 V CA 1.623 63.736 62.300 -0.310 0.000 1.049 123 V CB -0.579 30.990 31.823 -0.423 0.000 0.662 123 V HN 0.492 nan 8.190 nan 0.000 0.455 124 W N -0.552 120.718 121.300 -0.049 0.000 2.358 124 W HA -0.095 4.565 4.660 0.000 0.000 0.303 124 W C 2.276 178.796 176.519 0.001 0.000 1.208 124 W CA 1.067 58.455 57.345 0.071 0.000 1.274 124 W CB -1.162 28.380 29.460 0.136 0.000 1.138 124 W HN 0.259 nan 8.180 nan 0.000 0.515 125 L N 0.988 122.312 121.223 0.168 0.000 2.046 125 L HA -0.215 4.126 4.340 0.001 0.000 0.208 125 L C 2.533 179.439 176.870 0.060 0.000 1.077 125 L CA 2.294 57.173 54.840 0.065 0.000 0.747 125 L CB -1.306 40.764 42.059 0.019 0.000 0.896 125 L HN 0.081 nan 8.230 nan 0.000 0.432 126 Q N -0.741 119.081 119.800 0.037 0.000 2.135 126 Q HA -0.276 4.064 4.340 0.001 0.000 0.204 126 Q C 2.197 178.234 176.000 0.061 0.000 0.981 126 Q CA 2.037 57.856 55.803 0.027 0.000 0.856 126 Q CB -0.191 28.537 28.738 -0.018 0.000 0.902 126 Q HN 0.731 nan 8.270 nan 0.000 0.425 127 E N 0.301 120.567 120.200 0.111 0.000 2.047 127 E HA -0.194 4.157 4.350 0.001 0.000 0.191 127 E C 1.720 178.390 176.600 0.116 0.000 0.987 127 E CA 1.119 57.600 56.400 0.134 0.000 0.799 127 E CB 0.105 29.943 29.700 0.229 0.000 0.752 127 E HN 0.305 nan 8.360 nan 0.000 0.449 128 K N 0.219 120.686 120.400 0.112 0.000 2.211 128 K HA 0.001 4.322 4.320 0.001 0.000 0.203 128 K C 0.647 177.269 176.600 0.037 0.000 1.050 128 K CA 0.301 56.620 56.287 0.054 0.000 0.945 128 K CB 0.149 32.618 32.500 -0.050 0.000 0.732 128 K HN 0.002 nan 8.250 nan 0.000 0.451 129 V N 3.160 123.103 119.914 0.048 0.000 2.485 129 V HA -0.054 4.067 4.120 0.001 0.000 0.287 129 V C 0.409 176.526 176.094 0.037 0.000 1.022 129 V CA 0.022 62.351 62.300 0.048 0.000 1.067 129 V CB 0.702 32.566 31.823 0.069 0.000 0.967 129 V HN 0.296 nan 8.190 nan 0.000 0.479 130 Q N 4.717 124.532 119.800 0.025 0.000 2.330 130 Q HA 0.068 4.409 4.340 0.001 0.000 0.279 130 Q C 0.379 176.390 176.000 0.018 0.000 1.024 130 Q CA -0.079 55.735 55.803 0.018 0.000 0.900 130 Q CB 0.447 29.189 28.738 0.007 0.000 1.221 130 Q HN 0.677 nan 8.270 nan 0.000 0.396 131 K N 3.627 124.037 120.400 0.017 0.000 2.484 131 K HA -0.142 4.179 4.320 0.001 0.000 0.280 131 K C -0.614 175.993 176.600 0.011 0.000 1.013 131 K CA 0.547 56.843 56.287 0.015 0.000 1.029 131 K CB 0.328 32.836 32.500 0.012 0.000 0.902 131 K HN 0.783 nan 8.250 nan 0.000 0.481 132 D N 1.800 122.208 120.400 0.012 0.000 3.041 132 D HA -0.162 4.478 4.640 0.001 0.000 0.220 132 D C 0.491 176.794 176.300 0.005 0.000 1.157 132 D CA 1.511 55.517 54.000 0.009 0.000 0.876 132 D CB -1.335 39.469 40.800 0.006 0.000 1.107 132 D HN 0.658 nan 8.370 nan 0.000 0.422 133 S N -1.211 114.491 115.700 0.003 0.000 2.524 133 S HA 0.195 4.665 4.470 0.001 0.000 0.216 133 S C 0.999 175.583 174.600 -0.026 0.000 0.987 133 S CA -0.332 57.861 58.200 -0.013 0.000 0.909 133 S CB 0.568 63.757 63.200 -0.017 0.000 0.781 133 S HN 0.320 nan 8.310 nan 0.000 0.521 134 L N 1.723 122.947 121.223 0.001 0.000 2.360 134 L HA 0.527 4.867 4.340 0.001 0.000 0.271 134 L C 0.611 177.502 176.870 0.035 0.000 1.057 134 L CA -1.075 53.773 54.840 0.013 0.000 0.803 134 L CB 0.848 42.963 42.059 0.092 0.000 1.207 134 L HN 0.135 nan 8.230 nan 0.000 0.445 135 R N 2.046 122.579 120.500 0.055 0.000 2.679 135 R HA 0.068 4.409 4.340 0.001 0.000 0.268 135 R C -1.728 174.629 176.300 0.095 0.000 1.044 135 R CA -0.739 55.408 56.100 0.078 0.000 1.105 135 R CB 0.729 31.099 30.300 0.116 0.000 0.989 135 R HN 0.274 nan 8.270 nan 0.000 0.447 136 P HA -0.264 nan 4.420 nan 0.000 0.217 136 P C 0.392 177.730 177.300 0.064 0.000 1.162 136 P CA 1.601 64.733 63.100 0.053 0.000 0.901 136 P CB 0.094 31.816 31.700 0.037 0.000 0.793 137 E N -1.021 119.247 120.200 0.114 0.000 2.150 137 E HA -0.153 4.197 4.350 0.001 0.000 0.193 137 E C 1.921 178.522 176.600 0.001 0.000 0.985 137 E CA 0.958 57.440 56.400 0.136 0.000 0.814 137 E CB -0.411 29.469 29.700 0.300 0.000 0.752 137 E HN 0.087 nan 8.360 nan 0.000 0.466 138 A N 0.973 123.852 122.820 0.098 0.000 1.930 138 A HA -0.035 4.285 4.320 0.001 0.000 0.217 138 A C 2.329 179.957 177.584 0.074 0.000 1.175 138 A CA 1.467 53.541 52.037 0.062 0.000 0.627 138 A CB -0.532 18.747 19.000 0.466 0.000 0.815 138 A HN 0.371 nan 8.150 nan 0.000 0.443 139 A N -0.292 122.582 122.820 0.091 0.000 1.930 139 A HA -0.135 4.185 4.320 0.001 0.000 0.217 139 A C 2.243 179.849 177.584 0.036 0.000 1.175 139 A CA 1.619 53.695 52.037 0.065 0.000 0.627 139 A CB -0.469 18.561 19.000 0.049 0.000 0.815 139 A HN 0.538 nan 8.150 nan 0.000 0.443 140 R N -2.002 118.522 120.500 0.041 0.000 2.081 140 R HA -0.185 4.156 4.340 0.001 0.000 0.235 140 R C 2.074 178.487 176.300 0.189 0.000 1.131 140 R CA 1.860 57.994 56.100 0.058 0.000 0.960 140 R CB -0.495 29.780 30.300 -0.041 0.000 0.856 140 R HN 0.593 nan 8.270 nan 0.000 0.436 141 Y N 1.125 121.428 120.300 0.005 0.000 2.145 141 Y HA -0.251 4.300 4.550 0.001 0.000 0.286 141 Y C 1.926 177.753 175.900 -0.122 0.000 1.145 141 Y CA 1.673 59.655 58.100 -0.196 0.000 1.148 141 Y CB -0.513 37.437 38.460 -0.849 0.000 0.981 141 Y HN 0.154 nan 8.280 nan 0.000 0.507 142 L N 0.911 122.031 121.223 -0.172 0.000 2.017 142 L HA -0.188 4.153 4.340 0.001 0.000 0.208 142 L C 2.072 178.847 176.870 -0.158 0.000 1.073 142 L CA 2.158 56.877 54.840 -0.202 0.000 0.745 142 L CB -1.005 41.026 42.059 -0.047 0.000 0.894 142 L HN 0.345 nan 8.230 nan 0.000 0.432 143 E N -0.851 119.304 120.200 -0.074 0.000 2.110 143 E HA -0.282 4.068 4.350 0.001 0.000 0.193 143 E C 2.269 178.838 176.600 -0.052 0.000 0.988 143 E CA 1.138 57.509 56.400 -0.049 0.000 0.804 143 E CB -0.144 29.543 29.700 -0.021 0.000 0.745 143 E HN 0.320 nan 8.360 nan 0.000 0.458 144 R N 1.239 121.711 120.500 -0.046 0.000 2.075 144 R HA -0.078 4.263 4.340 0.001 0.000 0.232 144 R C 2.150 178.390 176.300 -0.100 0.000 1.126 144 R CA 1.072 57.154 56.100 -0.030 0.000 0.963 144 R CB -0.499 29.850 30.300 0.081 0.000 0.858 144 R HN 0.137 nan 8.270 nan 0.000 0.435 145 L N -0.046 121.040 121.223 -0.228 0.000 2.042 145 L HA -0.195 4.145 4.340 0.001 0.000 0.210 145 L C 2.196 179.066 176.870 -0.001 0.000 1.076 145 L CA 0.981 55.705 54.840 -0.193 0.000 0.749 145 L CB -0.476 41.369 42.059 -0.357 0.000 0.893 145 L HN 0.233 nan 8.230 nan 0.000 0.432 146 I N 0.169 120.728 120.570 -0.017 0.000 2.226 146 I HA -0.275 3.895 4.170 0.001 0.000 0.245 146 I C 2.594 178.780 176.117 0.115 0.000 1.100 146 I CA 1.426 62.781 61.300 0.092 0.000 1.374 146 I CB -0.788 37.198 38.000 -0.023 0.000 1.057 146 I HN 0.243 nan 8.210 nan 0.000 0.413 147 K N 1.516 121.926 120.400 0.016 0.000 2.057 147 K HA -0.106 4.214 4.320 0.001 0.000 0.207 147 K C 2.092 178.680 176.600 -0.020 0.000 1.049 147 K CA 1.354 57.635 56.287 -0.010 0.000 0.931 147 K CB -0.534 31.953 32.500 -0.021 0.000 0.714 147 K HN 0.229 nan 8.250 nan 0.000 0.440 148 L N -0.364 120.844 121.223 -0.026 0.000 2.079 148 L HA -0.107 4.234 4.340 0.001 0.000 0.210 148 L C 2.437 179.253 176.870 -0.090 0.000 1.081 148 L CA 1.519 56.329 54.840 -0.050 0.000 0.752 148 L CB -0.908 41.117 42.059 -0.055 0.000 0.896 148 L HN 0.464 nan 8.230 nan 0.000 0.433 149 G N -0.300 108.422 108.800 -0.129 0.000 2.402 149 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 149 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 149 G C 1.747 176.413 174.900 -0.389 0.000 1.162 149 G CA 0.358 45.151 45.100 -0.511 0.000 0.777 149 G HN 0.282 nan 8.290 nan 0.000 0.539 150 R N -0.064 120.319 120.500 -0.195 0.000 2.092 150 R HA 0.052 4.392 4.340 0.001 0.000 0.231 150 R C 2.671 179.040 176.300 0.114 0.000 1.119 150 R CA 0.857 56.888 56.100 -0.116 0.000 0.970 150 R CB -0.206 29.901 30.300 -0.322 0.000 0.864 150 R HN 0.249 nan 8.270 nan 0.000 0.440 151 R N 0.180 120.729 120.500 0.083 0.000 2.235 151 R HA 0.019 4.359 4.340 0.001 0.000 0.213 151 R C 1.126 177.528 176.300 0.170 0.000 1.059 151 R CA 0.583 56.807 56.100 0.207 0.000 0.997 151 R CB -0.006 30.344 30.300 0.084 0.000 0.884 151 R HN 0.190 nan 8.270 nan 0.000 0.462 152 N N -0.275 118.446 118.700 0.036 0.000 2.280 152 N HA 0.023 4.764 4.740 0.001 0.000 0.192 152 N C 0.748 176.238 175.510 -0.033 0.000 1.109 152 N CA 0.816 53.855 53.050 -0.019 0.000 0.855 152 N CB 1.219 39.647 38.487 -0.097 0.000 0.974 152 N HN 0.342 nan 8.380 nan 0.000 0.482 153 G N 1.112 109.931 108.800 0.031 0.000 2.153 153 G HA2 -0.270 3.690 3.960 0.001 0.000 0.252 153 G HA3 -0.270 3.690 3.960 0.001 0.000 0.252 153 G C 0.945 175.794 174.900 -0.086 0.000 0.994 153 G CA 0.367 45.463 45.100 -0.006 0.000 0.698 153 G HN 0.368 nan 8.290 nan 0.000 0.521 154 L N 0.563 121.720 121.223 -0.109 0.000 2.265 154 L HA -0.049 4.291 4.340 0.001 0.000 0.215 154 L C 2.651 179.495 176.870 -0.044 0.000 1.117 154 L CA 1.572 56.302 54.840 -0.183 0.000 0.782 154 L CB -0.566 41.200 42.059 -0.489 0.000 0.914 154 L HN 0.676 nan 8.230 nan 0.000 0.441 155 H N -0.789 118.226 119.070 -0.092 0.000 2.548 155 H HA 0.227 4.784 4.556 0.001 0.000 0.265 155 H C 0.835 176.166 175.328 0.005 0.000 0.969 155 H CA -0.341 55.726 56.048 0.032 0.000 1.155 155 H CB -0.401 29.414 29.762 0.088 0.000 1.394 155 H HN 0.244 nan 8.280 nan 0.000 0.570 156 L N 1.605 122.525 121.223 -0.506 0.000 2.454 156 L HA 0.331 4.671 4.340 0.001 0.000 0.256 156 L C -1.938 174.828 176.870 -0.174 0.000 1.136 156 L CA -2.130 52.477 54.840 -0.388 0.000 0.804 156 L CB 0.354 42.164 42.059 -0.414 0.000 1.181 156 L HN -0.012 nan 8.230 nan 0.000 0.469 157 P HA 0.030 nan 4.420 nan 0.000 0.268 157 P C -0.043 177.215 177.300 -0.070 0.000 1.208 157 P CA -0.308 62.747 63.100 -0.076 0.000 0.777 157 P CB 0.550 32.214 31.700 -0.061 0.000 0.875 158 R N 2.620 123.090 120.500 -0.050 0.000 2.091 158 R HA -0.212 4.129 4.340 0.001 0.000 0.238 158 R C 1.905 178.178 176.300 -0.044 0.000 1.136 158 R CA 2.098 58.172 56.100 -0.044 0.000 0.959 158 R CB -1.133 29.148 30.300 -0.032 0.000 0.856 158 R HN 0.566 nan 8.270 nan 0.000 0.437 159 E N -1.267 118.909 120.200 -0.040 0.000 2.110 159 E HA -0.154 4.196 4.350 0.001 0.000 0.193 159 E C 1.256 177.830 176.600 -0.044 0.000 0.988 159 E CA 1.738 58.116 56.400 -0.036 0.000 0.804 159 E CB 0.004 29.686 29.700 -0.030 0.000 0.745 159 E HN 0.426 nan 8.360 nan 0.000 0.458 160 T N 0.802 115.323 114.554 -0.055 0.000 2.737 160 T HA -0.140 4.210 4.350 0.001 0.000 0.265 160 T C 1.802 176.461 174.700 -0.068 0.000 1.038 160 T CA 1.230 63.292 62.100 -0.064 0.000 1.144 160 T CB -0.159 68.658 68.868 -0.085 0.000 0.866 160 T HN 0.257 nan 8.240 nan 0.000 0.434 161 Q N 0.712 120.466 119.800 -0.076 0.000 2.124 161 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 161 Q C 2.348 178.314 176.000 -0.057 0.000 0.977 161 Q CA 1.262 57.021 55.803 -0.073 0.000 0.850 161 Q CB -0.185 28.507 28.738 -0.076 0.000 0.901 161 Q HN 0.629 nan 8.270 nan 0.000 0.429 162 E N 0.498 120.669 120.200 -0.048 0.000 2.077 162 E HA -0.147 4.203 4.350 0.001 0.000 0.193 162 E C 1.877 178.454 176.600 -0.038 0.000 0.989 162 E CA 0.677 57.053 56.400 -0.039 0.000 0.800 162 E CB 0.031 29.711 29.700 -0.033 0.000 0.746 162 E HN 0.326 nan 8.360 nan 0.000 0.452 163 N N 0.592 119.269 118.700 -0.040 0.000 2.188 163 N HA -0.115 4.626 4.740 0.001 0.000 0.184 163 N C 1.939 177.423 175.510 -0.043 0.000 1.018 163 N CA 0.867 53.895 53.050 -0.038 0.000 0.858 163 N CB -0.022 38.443 38.487 -0.036 0.000 0.989 163 N HN 0.186 nan 8.380 nan 0.000 0.426 164 I N 1.399 121.938 120.570 -0.052 0.000 2.202 164 I HA -0.239 3.931 4.170 0.001 0.000 0.242 164 I C 2.565 178.650 176.117 -0.054 0.000 1.091 164 I CA 0.966 62.230 61.300 -0.060 0.000 1.368 164 I CB -0.186 37.773 38.000 -0.069 0.000 1.058 164 I HN 0.102 nan 8.210 nan 0.000 0.410 165 K N 1.307 121.678 120.400 -0.049 0.000 2.032 165 K HA -0.263 4.058 4.320 0.001 0.000 0.209 165 K C 2.388 178.965 176.600 -0.037 0.000 1.048 165 K CA 1.665 57.926 56.287 -0.043 0.000 0.927 165 K CB -0.145 32.331 32.500 -0.041 0.000 0.712 165 K HN 0.131 nan 8.250 nan 0.000 0.441 166 R N 0.661 121.140 120.500 -0.035 0.000 2.081 166 R HA -0.103 4.238 4.340 0.001 0.000 0.235 166 R C 2.280 178.562 176.300 -0.031 0.000 1.131 166 R CA 1.693 57.775 56.100 -0.029 0.000 0.960 166 R CB -0.245 30.039 30.300 -0.027 0.000 0.856 166 R HN 0.272 nan 8.270 nan 0.000 0.436 167 I N 0.676 121.223 120.570 -0.037 0.000 2.315 167 I HA -0.238 3.933 4.170 0.001 0.000 0.248 167 I C 2.231 178.322 176.117 -0.044 0.000 1.117 167 I CA 1.291 62.566 61.300 -0.041 0.000 1.404 167 I CB -0.197 37.773 38.000 -0.050 0.000 1.071 167 I HN 0.173 nan 8.210 nan 0.000 0.419 168 K N 0.889 121.262 120.400 -0.045 0.000 2.097 168 K HA -0.233 4.088 4.320 0.001 0.000 0.206 168 K C 2.176 178.757 176.600 -0.031 0.000 1.049 168 K CA 1.376 57.638 56.287 -0.041 0.000 0.933 168 K CB -0.117 32.359 32.500 -0.040 0.000 0.717 168 K HN 0.179 nan 8.250 nan 0.000 0.442 169 K N 1.522 121.906 120.400 -0.028 0.000 2.026 169 K HA -0.181 4.140 4.320 0.001 0.000 0.208 169 K C 1.796 178.386 176.600 -0.017 0.000 1.048 169 K CA 1.602 57.877 56.287 -0.020 0.000 0.929 169 K CB 0.112 32.600 32.500 -0.019 0.000 0.713 169 K HN -0.002 nan 8.250 nan 0.000 0.439 170 K N 0.563 120.952 120.400 -0.019 0.000 2.026 170 K HA -0.123 4.198 4.320 0.001 0.000 0.208 170 K C 2.195 178.786 176.600 -0.016 0.000 1.048 170 K CA 1.502 57.780 56.287 -0.015 0.000 0.929 170 K CB -0.201 32.288 32.500 -0.018 0.000 0.713 170 K HN 0.142 nan 8.250 nan 0.000 0.439 171 L N 0.716 121.922 121.223 -0.027 0.000 2.042 171 L HA -0.242 4.098 4.340 0.001 0.000 0.210 171 L C 2.718 179.575 176.870 -0.021 0.000 1.076 171 L CA 1.122 55.942 54.840 -0.034 0.000 0.749 171 L CB -0.519 41.508 42.059 -0.053 0.000 0.893 171 L HN 0.240 nan 8.230 nan 0.000 0.432 172 S N 0.044 115.734 115.700 -0.016 0.000 2.359 172 S HA -0.161 4.310 4.470 0.001 0.000 0.224 172 S C 1.983 176.587 174.600 0.006 0.000 1.035 172 S CA 1.264 59.461 58.200 -0.006 0.000 1.018 172 S CB -0.191 63.006 63.200 -0.006 0.000 0.876 172 S HN 0.301 nan 8.310 nan 0.000 0.448 173 L N 0.810 122.037 121.223 0.006 0.000 2.056 173 L HA -0.065 4.276 4.340 0.001 0.000 0.207 173 L C 2.465 179.353 176.870 0.029 0.000 1.078 173 L CA 1.022 55.871 54.840 0.016 0.000 0.749 173 L CB -0.550 41.515 42.059 0.010 0.000 0.901 173 L HN 0.337 nan 8.230 nan 0.000 0.433 174 L N -1.097 120.142 121.223 0.026 0.000 2.046 174 L HA -0.255 4.085 4.340 0.001 0.000 0.208 174 L C 2.707 179.623 176.870 0.078 0.000 1.077 174 L CA 1.100 55.968 54.840 0.047 0.000 0.747 174 L CB -0.575 41.499 42.059 0.025 0.000 0.896 174 L HN 0.404 nan 8.230 nan 0.000 0.432 175 C N -0.230 119.095 119.300 0.042 0.000 2.440 175 C HA -0.113 4.348 4.460 0.001 0.000 0.278 175 C C 2.719 177.771 174.990 0.103 0.000 1.295 175 C CA 0.314 59.363 59.018 0.051 0.000 1.738 175 C CB -0.570 27.172 27.740 0.002 0.000 1.987 175 C HN 0.422 nan 8.230 nan 0.000 0.492 176 I N 1.066 121.679 120.570 0.072 0.000 2.226 176 I HA -0.200 3.970 4.170 0.001 0.000 0.245 176 I C 2.081 178.249 176.117 0.085 0.000 1.100 176 I CA 1.562 62.903 61.300 0.069 0.000 1.374 176 I CB -0.505 37.521 38.000 0.043 0.000 1.057 176 I HN 0.334 nan 8.210 nan 0.000 0.413 177 D N 0.438 120.891 120.400 0.089 0.000 2.117 177 D HA -0.179 4.461 4.640 0.001 0.000 0.198 177 D C 1.928 178.290 176.300 0.103 0.000 0.982 177 D CA 1.093 55.139 54.000 0.076 0.000 0.828 177 D CB -0.366 40.471 40.800 0.061 0.000 0.967 177 D HN 0.225 nan 8.370 nan 0.000 0.464 178 F N 1.779 121.733 119.950 0.007 0.000 2.065 178 F HA -0.247 4.281 4.527 0.001 0.000 0.298 178 F C 1.873 177.682 175.800 0.014 0.000 1.112 178 F CA 1.723 59.729 58.000 0.009 0.000 1.212 178 F CB -0.214 38.794 39.000 0.014 0.000 0.975 178 F HN -0.070 nan 8.300 nan 0.000 0.476 179 N N -0.263 118.608 118.700 0.285 0.000 2.106 179 N HA -0.179 4.562 4.740 0.001 0.000 0.188 179 N C 1.805 177.353 175.510 0.064 0.000 1.029 179 N CA 1.159 54.316 53.050 0.178 0.000 0.848 179 N CB -0.258 38.328 38.487 0.165 0.000 1.007 179 N HN 0.202 nan 8.380 nan 0.000 0.423 180 K N 0.989 121.421 120.400 0.052 0.000 2.057 180 K HA -0.112 4.208 4.320 0.001 0.000 0.207 180 K C 1.413 178.006 176.600 -0.010 0.000 1.049 180 K CA 1.185 57.485 56.287 0.022 0.000 0.931 180 K CB 0.091 32.606 32.500 0.024 0.000 0.714 180 K HN 0.121 nan 8.250 nan 0.000 0.440 181 N N 0.952 119.629 118.700 -0.039 0.000 2.069 181 N HA -0.184 4.557 4.740 0.001 0.000 0.191 181 N C 1.817 177.267 175.510 -0.099 0.000 1.031 181 N CA 1.293 54.295 53.050 -0.081 0.000 0.852 181 N CB -0.293 38.114 38.487 -0.133 0.000 1.018 181 N HN 0.199 nan 8.380 nan 0.000 0.423 182 L N 0.749 121.896 121.223 -0.127 0.000 2.027 182 L HA -0.091 4.250 4.340 0.001 0.000 0.206 182 L C 1.764 178.615 176.870 -0.032 0.000 1.074 182 L CA 0.872 55.645 54.840 -0.111 0.000 0.745 182 L CB -0.423 41.563 42.059 -0.121 0.000 0.898 182 L HN 0.137 nan 8.230 nan 0.000 0.433 183 N N 0.208 118.907 118.700 -0.001 0.000 2.244 183 N HA -0.166 4.574 4.740 0.001 0.000 0.183 183 N C 1.557 177.077 175.510 0.017 0.000 1.016 183 N CA 1.160 54.224 53.050 0.024 0.000 0.866 183 N CB -0.117 38.387 38.487 0.028 0.000 0.980 183 N HN 0.470 nan 8.380 nan 0.000 0.430 184 E N 0.453 120.654 120.200 0.003 0.000 2.481 184 E HA -0.029 4.322 4.350 0.001 0.000 0.195 184 E C 0.124 176.727 176.600 0.005 0.000 1.047 184 E CA -0.153 56.250 56.400 0.005 0.000 0.867 184 E CB 0.161 29.860 29.700 -0.001 0.000 0.858 184 E HN 0.326 nan 8.360 nan 0.000 0.513 185 D N 1.725 122.123 120.400 -0.005 0.000 2.458 185 D HA -0.052 4.588 4.640 0.001 0.000 0.243 185 D C 0.253 176.573 176.300 0.032 0.000 1.146 185 D CA 0.753 54.751 54.000 -0.004 0.000 0.877 185 D CB 0.913 41.691 40.800 -0.035 0.000 1.176 185 D HN 0.016 nan 8.370 nan 0.000 0.461 186 T N -0.178 114.406 114.554 0.050 0.000 3.380 186 T HA 0.155 4.506 4.350 0.001 0.000 0.289 186 T C 0.280 175.074 174.700 0.156 0.000 1.012 186 T CA -0.638 61.523 62.100 0.102 0.000 0.944 186 T CB 0.031 68.959 68.868 0.100 0.000 1.172 186 T HN 0.187 nan 8.240 nan 0.000 0.502 187 T N 3.585 118.196 114.554 0.095 0.000 2.930 187 T HA 0.506 4.857 4.350 0.001 0.000 0.306 187 T C -0.463 174.341 174.700 0.173 0.000 1.045 187 T CA -0.088 62.042 62.100 0.051 0.000 1.134 187 T CB -0.067 68.794 68.868 -0.012 0.000 0.961 187 T HN 0.589 nan 8.240 nan 0.000 0.545 188 F N 1.062 121.036 119.950 0.041 0.000 2.645 188 F HA 0.793 5.321 4.527 0.001 0.000 0.310 188 F C -2.330 173.473 175.800 0.005 0.000 1.102 188 F CA -1.832 56.205 58.000 0.062 0.000 0.952 188 F CB 0.908 39.944 39.000 0.060 0.000 1.326 188 F HN 0.228 nan 8.300 nan 0.000 0.456 189 L N 3.447 124.789 121.223 0.197 0.000 2.385 189 L HA 0.656 4.996 4.340 0.001 0.000 0.273 189 L C -2.628 174.149 176.870 -0.155 0.000 0.990 189 L CA -1.841 52.927 54.840 -0.121 0.000 0.821 189 L CB 2.318 44.270 42.059 -0.178 0.000 1.279 189 L HN 0.459 nan 8.230 nan 0.000 0.412 190 P HA 0.410 nan 4.420 nan 0.000 0.292 190 P C -1.276 175.705 177.300 -0.533 0.000 1.287 190 P CA -0.219 62.759 63.100 -0.204 0.000 0.800 190 P CB 0.723 32.403 31.700 -0.033 0.000 0.945 191 F N 0.302 120.287 119.950 0.060 0.000 2.588 191 F HA 0.337 4.864 4.527 0.001 0.000 0.310 191 F C 1.168 176.979 175.800 0.018 0.000 1.082 191 F CA -0.511 57.506 58.000 0.029 0.000 0.929 191 F CB 2.132 41.145 39.000 0.021 0.000 1.254 191 F HN 0.200 nan 8.300 nan 0.000 0.455 192 T N -0.507 114.180 114.554 0.222 0.000 2.849 192 T HA 0.326 4.677 4.350 0.001 0.000 0.284 192 T C 1.132 175.894 174.700 0.103 0.000 1.004 192 T CA -0.714 61.459 62.100 0.121 0.000 1.021 192 T CB 0.883 69.805 68.868 0.089 0.000 1.013 192 T HN 0.616 nan 8.240 nan 0.000 0.527 193 L N 0.618 121.882 121.223 0.067 0.000 2.187 193 L HA -0.177 4.163 4.340 0.001 0.000 0.213 193 L C 2.908 179.799 176.870 0.035 0.000 1.100 193 L CA 1.312 56.181 54.840 0.049 0.000 0.765 193 L CB -0.618 41.465 42.059 0.041 0.000 0.904 193 L HN 0.705 nan 8.230 nan 0.000 0.437 194 Q N -0.114 119.712 119.800 0.043 0.000 2.083 194 Q HA -0.156 4.184 4.340 0.001 0.000 0.198 194 Q C 1.979 177.987 176.000 0.014 0.000 0.969 194 Q CA 1.186 57.012 55.803 0.039 0.000 0.838 194 Q CB -0.129 28.637 28.738 0.048 0.000 0.900 194 Q HN 0.459 nan 8.270 nan 0.000 0.436 195 E N 0.130 120.344 120.200 0.023 0.000 2.347 195 E HA -0.055 4.295 4.350 0.001 0.000 0.196 195 E C 0.800 177.299 176.600 -0.168 0.000 1.008 195 E CA 0.495 56.876 56.400 -0.031 0.000 0.852 195 E CB 0.080 29.839 29.700 0.099 0.000 0.783 195 E HN 0.309 nan 8.360 nan 0.000 0.505 196 L N 0.800 121.956 121.223 -0.112 0.000 2.685 196 L HA 0.189 4.530 4.340 0.001 0.000 0.233 196 L C 1.024 177.770 176.870 -0.207 0.000 1.173 196 L CA -0.701 54.043 54.840 -0.159 0.000 0.961 196 L CB 0.067 42.109 42.059 -0.029 0.000 1.217 196 L HN -0.011 nan 8.230 nan 0.000 0.478 197 G N -0.210 108.430 108.800 -0.267 0.000 2.225 197 G HA2 0.301 4.262 3.960 0.001 0.000 0.245 197 G HA3 0.301 4.262 3.960 0.001 0.000 0.245 197 G C 1.017 175.412 174.900 -0.842 0.000 1.249 197 G CA 0.671 45.533 45.100 -0.397 0.000 0.919 197 G HN 0.469 nan 8.290 nan 0.000 0.486 198 G N 1.506 110.106 108.800 -0.334 0.000 2.352 198 G HA2 -0.213 3.748 3.960 0.001 0.000 0.204 198 G HA3 -0.213 3.748 3.960 0.001 0.000 0.204 198 G C 0.457 175.297 174.900 -0.100 0.000 1.004 198 G CA -0.086 44.918 45.100 -0.160 0.000 0.648 198 G HN 0.777 nan 8.290 nan 0.000 0.491 199 L N 2.475 123.615 121.223 -0.139 0.000 2.397 199 L HA 0.435 4.775 4.340 0.001 0.000 0.271 199 L C -1.670 175.185 176.870 -0.025 0.000 1.148 199 L CA -1.857 52.896 54.840 -0.144 0.000 0.825 199 L CB 0.596 42.570 42.059 -0.143 0.000 1.117 199 L HN -0.033 nan 8.230 nan 0.000 0.456 200 P HA -0.034 nan 4.420 nan 0.000 0.267 200 P C 0.315 177.691 177.300 0.126 0.000 1.201 200 P CA -0.145 62.991 63.100 0.061 0.000 0.775 200 P CB 0.566 32.304 31.700 0.064 0.000 0.854 201 E N 1.818 122.073 120.200 0.092 0.000 2.051 201 E HA -0.195 4.156 4.350 0.001 0.000 0.192 201 E C 1.383 178.040 176.600 0.095 0.000 0.991 201 E CA 1.532 57.982 56.400 0.084 0.000 0.799 201 E CB -0.560 29.174 29.700 0.058 0.000 0.748 201 E HN 0.636 nan 8.360 nan 0.000 0.449 202 D N -0.169 120.292 120.400 0.102 0.000 2.263 202 D HA -0.189 4.452 4.640 0.001 0.000 0.208 202 D C 1.931 178.303 176.300 0.119 0.000 0.971 202 D CA 0.562 54.618 54.000 0.093 0.000 0.867 202 D CB -0.629 40.225 40.800 0.090 0.000 0.929 202 D HN 0.164 nan 8.370 nan 0.000 0.492 203 F N 1.287 121.246 119.950 0.014 0.000 2.149 203 F HA 0.083 4.610 4.527 0.001 0.000 0.294 203 F C 2.328 178.121 175.800 -0.012 0.000 1.095 203 F CA 0.658 58.663 58.000 0.010 0.000 1.276 203 F CB -0.190 38.812 39.000 0.003 0.000 1.023 203 F HN -0.191 nan 8.300 nan 0.000 0.480 204 L N 0.293 121.598 121.223 0.136 0.000 2.042 204 L HA -0.274 4.067 4.340 0.001 0.000 0.210 204 L C 1.914 178.753 176.870 -0.050 0.000 1.076 204 L CA 1.412 56.272 54.840 0.034 0.000 0.749 204 L CB -0.888 41.219 42.059 0.080 0.000 0.893 204 L HN 0.185 nan 8.230 nan 0.000 0.432 205 N N -0.627 118.057 118.700 -0.027 0.000 2.515 205 N HA -0.067 4.673 4.740 0.001 0.000 0.185 205 N C 1.738 177.209 175.510 -0.065 0.000 1.109 205 N CA 0.740 53.770 53.050 -0.034 0.000 0.903 205 N CB 0.152 38.635 38.487 -0.007 0.000 0.969 205 N HN 0.239 nan 8.380 nan 0.000 0.450 206 S N 0.481 116.110 115.700 -0.119 0.000 2.496 206 S HA 0.148 4.618 4.470 0.001 0.000 0.224 206 S C 1.018 175.532 174.600 -0.144 0.000 0.996 206 S CA 0.025 58.148 58.200 -0.129 0.000 0.927 206 S CB 0.279 63.376 63.200 -0.172 0.000 0.774 206 S HN 0.214 nan 8.310 nan 0.000 0.524 207 L N 1.886 122.994 121.223 -0.192 0.000 2.436 207 L HA 0.251 4.592 4.340 0.001 0.000 0.265 207 L C 0.798 177.612 176.870 -0.094 0.000 1.168 207 L CA -0.333 54.407 54.840 -0.167 0.000 0.815 207 L CB 0.311 42.252 42.059 -0.197 0.000 1.109 207 L HN 0.156 nan 8.230 nan 0.000 0.462 208 E N 3.123 123.271 120.200 -0.087 0.000 1.944 208 E HA -0.013 4.337 4.350 0.001 0.000 0.272 208 E C -0.290 176.257 176.600 -0.089 0.000 1.195 208 E CA -0.325 56.020 56.400 -0.093 0.000 0.926 208 E CB 0.409 30.029 29.700 -0.133 0.000 1.051 208 E HN 0.300 nan 8.360 nan 0.000 0.404 209 K N 5.798 126.161 120.400 -0.062 0.000 2.382 209 K HA 0.042 4.362 4.320 0.001 0.000 0.286 209 K C -0.024 176.548 176.600 -0.046 0.000 1.062 209 K CA -0.036 56.224 56.287 -0.044 0.000 1.000 209 K CB 0.403 32.886 32.500 -0.029 0.000 0.954 209 K HN 0.553 nan 8.250 nan 0.000 0.470 210 M N 3.362 122.936 119.600 -0.043 0.000 2.228 210 M HA 0.037 4.517 4.480 0.001 0.000 0.326 210 M C 1.124 177.414 176.300 -0.018 0.000 1.122 210 M CA 0.157 55.435 55.300 -0.037 0.000 1.161 210 M CB 0.867 33.452 32.600 -0.025 0.000 1.437 210 M HN 0.615 nan 8.290 nan 0.000 0.465 211 E N 0.530 120.722 120.200 -0.014 0.000 2.204 211 E HA -0.224 4.127 4.350 0.001 0.000 0.195 211 E C 0.946 177.545 176.600 -0.001 0.000 0.990 211 E CA 1.211 57.607 56.400 -0.007 0.000 0.821 211 E CB -0.086 29.611 29.700 -0.005 0.000 0.750 211 E HN 0.684 nan 8.360 nan 0.000 0.477 212 D N -0.952 119.449 120.400 0.002 0.000 2.310 212 D HA -0.098 4.543 4.640 0.001 0.000 0.212 212 D C 1.375 177.680 176.300 0.008 0.000 0.965 212 D CA 1.469 55.473 54.000 0.006 0.000 0.879 212 D CB 0.055 40.862 40.800 0.011 0.000 0.921 212 D HN 0.273 nan 8.370 nan 0.000 0.510 213 G N -0.396 108.408 108.800 0.006 0.000 2.254 213 G HA2 -0.268 3.693 3.960 0.001 0.000 0.225 213 G HA3 -0.268 3.693 3.960 0.001 0.000 0.225 213 G C 0.310 175.219 174.900 0.015 0.000 1.003 213 G CA 0.118 45.224 45.100 0.009 0.000 0.622 213 G HN 0.400 nan 8.290 nan 0.000 0.507 214 K N 0.550 120.961 120.400 0.017 0.000 2.202 214 K HA 0.603 4.923 4.320 0.001 0.000 0.264 214 K C 0.375 176.988 176.600 0.022 0.000 1.010 214 K CA -0.284 56.021 56.287 0.030 0.000 0.940 214 K CB 0.959 33.472 32.500 0.021 0.000 0.983 214 K HN 0.230 nan 8.250 nan 0.000 0.475 215 L N 2.209 123.459 121.223 0.046 0.000 2.334 215 L HA 0.283 4.624 4.340 0.001 0.000 0.277 215 L C 0.275 177.167 176.870 0.038 0.000 1.075 215 L CA -0.614 54.240 54.840 0.024 0.000 0.804 215 L CB 1.040 43.116 42.059 0.029 0.000 1.174 215 L HN 0.513 nan 8.230 nan 0.000 0.438 216 K N 2.639 123.022 120.400 -0.028 0.000 2.285 216 K HA 0.374 4.695 4.320 0.001 0.000 0.286 216 K C -1.213 175.420 176.600 0.055 0.000 1.072 216 K CA -0.412 55.856 56.287 -0.031 0.000 0.913 216 K CB 0.929 33.258 32.500 -0.284 0.000 1.067 216 K HN 0.351 nan 8.250 nan 0.000 0.479 217 V N 5.013 125.057 119.914 0.216 0.000 2.357 217 V HA 0.164 4.285 4.120 0.001 0.000 0.284 217 V C 0.367 176.722 176.094 0.434 0.000 1.018 217 V CA -0.725 61.737 62.300 0.270 0.000 0.841 217 V CB 1.280 33.336 31.823 0.388 0.000 0.991 217 V HN 0.992 nan 8.190 nan 0.000 0.437 218 T N 2.848 117.757 114.554 0.592 0.000 2.881 218 T HA 0.511 4.862 4.350 0.001 0.000 0.278 218 T C 0.697 175.658 174.700 0.435 0.000 0.982 218 T CA -0.650 61.727 62.100 0.463 0.000 0.989 218 T CB 1.045 70.101 68.868 0.312 0.000 1.058 218 T HN 0.343 nan 8.240 nan 0.000 0.529 219 L N 0.018 121.438 121.223 0.328 0.000 2.627 219 L HA 0.213 4.553 4.340 0.001 0.000 0.232 219 L C 0.823 177.913 176.870 0.367 0.000 1.150 219 L CA -0.245 54.801 54.840 0.344 0.000 0.917 219 L CB -0.387 41.805 42.059 0.222 0.000 1.104 219 L HN 0.438 nan 8.230 nan 0.000 0.445 220 K N -0.377 120.211 120.400 0.314 0.000 2.202 220 K HA 0.056 4.377 4.320 0.001 0.000 0.264 220 K C 0.776 177.648 176.600 0.454 0.000 1.010 220 K CA -0.250 56.245 56.287 0.346 0.000 0.940 220 K CB 0.511 33.105 32.500 0.156 0.000 0.983 220 K HN -0.155 nan 8.250 nan 0.000 0.475 221 Y N 2.125 122.613 120.300 0.313 0.000 2.069 221 Y HA -0.207 4.344 4.550 0.001 0.000 0.278 221 Y C -0.389 175.680 175.900 0.282 0.000 1.175 221 Y CA 1.768 60.065 58.100 0.328 0.000 1.134 221 Y CB -1.917 36.578 38.460 0.059 0.000 0.965 221 Y HN 0.610 nan 8.280 nan 0.000 0.498 222 P HA -0.189 nan 4.420 nan 0.000 0.222 222 P C 0.630 178.262 177.300 0.554 0.000 1.142 222 P CA 2.089 65.377 63.100 0.313 0.000 0.788 222 P CB -0.081 31.717 31.700 0.164 0.000 0.767 223 H N -3.315 116.005 119.070 0.417 0.000 2.430 223 H HA 0.015 4.571 4.556 0.001 0.000 0.297 223 H C 2.119 177.691 175.328 0.407 0.000 1.016 223 H CA 0.023 56.371 56.048 0.499 0.000 1.294 223 H CB -0.206 29.779 29.762 0.372 0.000 1.465 223 H HN -0.042 nan 8.280 nan 0.000 0.547 224 Y N 1.406 121.921 120.300 0.358 0.000 2.049 224 Y HA -0.313 4.238 4.550 0.001 0.000 0.277 224 Y C 1.947 177.864 175.900 0.028 0.000 1.143 224 Y CA 1.636 59.797 58.100 0.102 0.000 1.115 224 Y CB -0.725 37.651 38.460 -0.141 0.000 0.975 224 Y HN 0.006 nan 8.280 nan 0.000 0.487 225 F N 0.735 120.594 119.950 -0.152 0.000 2.095 225 F HA -0.188 4.339 4.527 0.001 0.000 0.298 225 F C -0.176 175.495 175.800 -0.216 0.000 1.104 225 F CA 1.987 59.849 58.000 -0.231 0.000 1.232 225 F CB -2.229 36.755 39.000 -0.026 0.000 0.987 225 F HN 0.165 nan 8.300 nan 0.000 0.475 226 P HA -0.180 nan 4.420 nan 0.000 0.217 226 P C 2.249 179.375 177.300 -0.290 0.000 1.150 226 P CA 1.421 64.412 63.100 -0.181 0.000 0.832 226 P CB -0.116 31.372 31.700 -0.354 0.000 0.787 227 L N -0.626 120.441 121.223 -0.260 0.000 2.017 227 L HA -0.102 4.239 4.340 0.001 0.000 0.208 227 L C 2.664 179.380 176.870 -0.257 0.000 1.073 227 L CA 1.409 56.098 54.840 -0.251 0.000 0.745 227 L CB -0.737 41.238 42.059 -0.139 0.000 0.894 227 L HN -0.167 nan 8.230 nan 0.000 0.432 228 L N -0.479 120.534 121.223 -0.350 0.000 2.275 228 L HA -0.190 4.150 4.340 0.001 0.000 0.215 228 L C 2.326 179.105 176.870 -0.152 0.000 1.119 228 L CA 1.209 55.851 54.840 -0.330 0.000 0.790 228 L CB -0.286 41.411 42.059 -0.604 0.000 0.919 228 L HN 0.313 nan 8.230 nan 0.000 0.443 229 K N -0.528 119.784 120.400 -0.146 0.000 2.284 229 K HA 0.007 4.327 4.320 0.001 0.000 0.198 229 K C 1.636 178.221 176.600 -0.025 0.000 1.048 229 K CA 0.497 56.737 56.287 -0.079 0.000 0.987 229 K CB 0.373 32.811 32.500 -0.102 0.000 0.800 229 K HN 0.219 nan 8.250 nan 0.000 0.486 230 K N -0.315 120.067 120.400 -0.029 0.000 2.436 230 K HA 0.132 4.452 4.320 0.001 0.000 0.198 230 K C 0.323 176.954 176.600 0.051 0.000 1.174 230 K CA -0.131 56.153 56.287 -0.005 0.000 0.951 230 K CB 0.728 33.150 32.500 -0.131 0.000 1.040 230 K HN -0.022 nan 8.250 nan 0.000 0.536 231 C N 3.988 123.229 119.300 -0.098 0.000 2.657 231 C HA 0.079 4.539 4.460 0.001 0.000 0.404 231 C C 1.421 176.200 174.990 -0.351 0.000 1.369 231 C CA -0.376 58.480 59.018 -0.271 0.000 1.665 231 C CB -1.003 26.543 27.740 -0.323 0.000 2.453 231 C HN 0.555 nan 8.230 nan 0.000 0.599 232 H N 2.655 121.618 119.070 -0.180 0.000 2.533 232 H HA 0.300 4.857 4.556 0.001 0.000 0.271 232 H C 0.068 175.233 175.328 -0.270 0.000 1.000 232 H CA -0.316 55.550 56.048 -0.303 0.000 1.149 232 H CB -0.632 29.115 29.762 -0.025 0.000 1.375 232 H HN 0.335 nan 8.280 nan 0.000 0.582 233 V N 4.522 124.310 119.914 -0.211 0.000 2.339 233 V HA 0.087 4.208 4.120 0.001 0.000 0.261 233 V C -1.086 174.909 176.094 -0.164 0.000 1.058 233 V CA -1.352 60.880 62.300 -0.113 0.000 0.897 233 V CB 1.528 33.255 31.823 -0.161 0.000 1.052 233 V HN 0.318 nan 8.190 nan 0.000 0.480 234 P HA -0.197 nan 4.420 nan 0.000 0.216 234 P C 1.290 178.529 177.300 -0.102 0.000 1.153 234 P CA 1.282 64.373 63.100 -0.014 0.000 0.858 234 P CB 0.586 32.354 31.700 0.114 0.000 0.789 235 E N -0.567 119.568 120.200 -0.109 0.000 2.153 235 E HA -0.097 4.254 4.350 0.001 0.000 0.194 235 E C 2.069 178.549 176.600 -0.200 0.000 0.988 235 E CA 1.316 57.620 56.400 -0.160 0.000 0.811 235 E CB -0.885 28.774 29.700 -0.068 0.000 0.746 235 E HN 0.284 nan 8.360 nan 0.000 0.466 236 T N 0.807 115.214 114.554 -0.246 0.000 2.812 236 T HA -0.069 4.282 4.350 0.001 0.000 0.264 236 T C 1.915 176.399 174.700 -0.361 0.000 1.042 236 T CA 0.815 62.645 62.100 -0.450 0.000 1.140 236 T CB -0.028 68.424 68.868 -0.693 0.000 0.870 236 T HN 0.153 nan 8.240 nan 0.000 0.445 237 R N 0.828 121.156 120.500 -0.287 0.000 2.073 237 R HA -0.026 4.314 4.340 0.001 0.000 0.234 237 R C 2.701 178.889 176.300 -0.186 0.000 1.134 237 R CA 1.188 57.180 56.100 -0.181 0.000 0.952 237 R CB -0.332 29.926 30.300 -0.070 0.000 0.850 237 R HN 0.306 nan 8.270 nan 0.000 0.433 238 R N 1.728 121.915 120.500 -0.522 0.000 2.080 238 R HA -0.173 4.168 4.340 0.001 0.000 0.236 238 R C 1.927 177.960 176.300 -0.446 0.000 1.137 238 R CA 1.818 57.302 56.100 -1.027 0.000 0.943 238 R CB -0.058 29.311 30.300 -1.552 0.000 0.846 238 R HN 0.136 nan 8.270 nan 0.000 0.431 239 K N -0.173 120.086 120.400 -0.235 0.000 2.026 239 K HA -0.092 4.228 4.320 0.001 0.000 0.208 239 K C 2.068 178.724 176.600 0.093 0.000 1.048 239 K CA 1.637 57.910 56.287 -0.024 0.000 0.929 239 K CB -0.066 32.531 32.500 0.162 0.000 0.713 239 K HN 0.067 nan 8.250 nan 0.000 0.439 240 V N 1.795 121.795 119.914 0.143 0.000 2.427 240 V HA -0.208 3.912 4.120 0.001 0.000 0.248 240 V C 2.414 178.697 176.094 0.316 0.000 1.051 240 V CA 1.625 64.077 62.300 0.252 0.000 1.048 240 V CB -0.386 31.570 31.823 0.222 0.000 0.666 240 V HN 0.378 nan 8.190 nan 0.000 0.456 241 E N 0.564 120.914 120.200 0.250 0.000 2.051 241 E HA -0.269 4.081 4.350 0.001 0.000 0.192 241 E C 2.266 179.023 176.600 0.260 0.000 0.991 241 E CA 1.756 58.360 56.400 0.340 0.000 0.799 241 E CB -0.048 29.848 29.700 0.326 0.000 0.748 241 E HN 0.761 nan 8.360 nan 0.000 0.449 242 E N 0.001 120.288 120.200 0.145 0.000 2.085 242 E HA -0.196 4.154 4.350 0.001 0.000 0.194 242 E C 1.955 178.605 176.600 0.085 0.000 0.994 242 E CA 1.214 57.672 56.400 0.097 0.000 0.801 242 E CB -0.127 29.582 29.700 0.016 0.000 0.743 242 E HN 0.255 nan 8.360 nan 0.000 0.453 243 A N 0.729 123.606 122.820 0.095 0.000 1.855 243 A HA -0.161 4.159 4.320 0.001 0.000 0.215 243 A C 2.050 179.662 177.584 0.048 0.000 1.191 243 A CA 1.323 53.398 52.037 0.063 0.000 0.613 243 A CB -1.040 18.010 19.000 0.084 0.000 0.829 243 A HN 0.518 nan 8.150 nan 0.000 0.442 244 F N 1.311 121.209 119.950 -0.086 0.000 2.126 244 F HA -0.182 4.345 4.527 0.001 0.000 0.299 244 F C 1.581 177.252 175.800 -0.214 0.000 1.096 244 F CA 1.997 59.835 58.000 -0.271 0.000 1.255 244 F CB -0.061 38.497 39.000 -0.738 0.000 0.997 244 F HN 0.199 nan 8.300 nan 0.000 0.479 245 N N -0.261 118.463 118.700 0.041 0.000 2.383 245 N HA 0.018 4.758 4.740 0.001 0.000 0.192 245 N C 0.753 176.217 175.510 -0.077 0.000 1.141 245 N CA 0.672 53.703 53.050 -0.032 0.000 0.851 245 N CB 0.329 38.882 38.487 0.110 0.000 0.976 245 N HN 0.189 nan 8.380 nan 0.000 0.465 246 S N -0.345 115.302 115.700 -0.089 0.000 2.666 246 S HA 0.218 4.689 4.470 0.001 0.000 0.239 246 S C 0.506 175.035 174.600 -0.119 0.000 1.031 246 S CA -0.447 57.706 58.200 -0.077 0.000 1.015 246 S CB 1.231 64.410 63.200 -0.035 0.000 0.981 246 S HN 0.196 nan 8.310 nan 0.000 0.547 247 R N 0.678 121.068 120.500 -0.184 0.000 2.537 247 R HA 0.053 4.394 4.340 0.001 0.000 0.281 247 R C 0.470 176.656 176.300 -0.189 0.000 0.988 247 R CA 0.329 56.312 56.100 -0.195 0.000 1.077 247 R CB -0.292 29.840 30.300 -0.280 0.000 0.932 247 R HN 0.356 nan 8.270 nan 0.000 0.409 248 C N 1.580 120.786 119.300 -0.156 0.000 4.185 248 C HA -0.207 4.253 4.460 0.001 0.000 0.297 248 C C 2.104 177.009 174.990 -0.142 0.000 1.463 248 C CA 0.950 59.874 59.018 -0.157 0.000 2.032 248 C CB -2.232 25.373 27.740 -0.224 0.000 1.282 248 C HN 1.013 nan 8.230 nan 0.000 0.770 249 K N 1.337 121.672 120.400 -0.109 0.000 2.015 249 K HA -0.252 4.069 4.320 0.001 0.000 0.216 249 K C 1.955 178.525 176.600 -0.051 0.000 1.052 249 K CA 2.332 58.574 56.287 -0.075 0.000 0.937 249 K CB -0.135 32.332 32.500 -0.055 0.000 0.719 249 K HN 0.771 nan 8.250 nan 0.000 0.446 250 E N -0.096 120.077 120.200 -0.045 0.000 2.047 250 E HA -0.190 4.160 4.350 0.001 0.000 0.191 250 E C 2.042 178.627 176.600 -0.025 0.000 0.987 250 E CA 1.650 58.034 56.400 -0.028 0.000 0.799 250 E CB -0.007 29.678 29.700 -0.025 0.000 0.752 250 E HN 0.422 nan 8.360 nan 0.000 0.449 251 E N 0.987 121.162 120.200 -0.042 0.000 2.047 251 E HA -0.140 4.210 4.350 0.001 0.000 0.191 251 E C 1.751 178.335 176.600 -0.025 0.000 0.987 251 E CA 0.992 57.371 56.400 -0.035 0.000 0.799 251 E CB -0.184 29.485 29.700 -0.051 0.000 0.752 251 E HN 0.092 nan 8.360 nan 0.000 0.449 252 N N -0.005 118.648 118.700 -0.079 0.000 2.331 252 N HA -0.082 4.659 4.740 0.001 0.000 0.180 252 N C 1.579 177.147 175.510 0.098 0.000 1.019 252 N CA 1.211 54.218 53.050 -0.072 0.000 0.881 252 N CB -0.164 38.068 38.487 -0.425 0.000 0.972 252 N HN 0.234 nan 8.380 nan 0.000 0.435 253 S N -0.443 115.285 115.700 0.047 0.000 2.406 253 S HA 0.087 4.557 4.470 0.001 0.000 0.228 253 S C 2.032 176.673 174.600 0.069 0.000 1.020 253 S CA 0.752 58.995 58.200 0.072 0.000 0.965 253 S CB -0.235 62.986 63.200 0.035 0.000 0.798 253 S HN 0.264 nan 8.310 nan 0.000 0.488 254 A N 1.950 124.800 122.820 0.050 0.000 1.897 254 A HA 0.210 4.530 4.320 0.001 0.000 0.215 254 A C 2.192 179.812 177.584 0.059 0.000 1.181 254 A CA 1.160 53.221 52.037 0.041 0.000 0.620 254 A CB -0.743 18.272 19.000 0.025 0.000 0.821 254 A HN 0.560 nan 8.150 nan 0.000 0.443 255 I N -0.845 119.783 120.570 0.095 0.000 2.226 255 I HA -0.213 3.957 4.170 0.001 0.000 0.245 255 I C 2.386 178.572 176.117 0.115 0.000 1.100 255 I CA 0.963 62.339 61.300 0.126 0.000 1.374 255 I CB -0.226 37.908 38.000 0.225 0.000 1.057 255 I HN 0.331 nan 8.210 nan 0.000 0.413 256 L N 1.243 122.561 121.223 0.158 0.000 2.083 256 L HA -0.223 4.118 4.340 0.001 0.000 0.209 256 L C 2.450 179.330 176.870 0.017 0.000 1.083 256 L CA 1.861 56.748 54.840 0.078 0.000 0.752 256 L CB -0.748 41.396 42.059 0.142 0.000 0.899 256 L HN 0.127 nan 8.230 nan 0.000 0.433 257 K N -0.656 119.761 120.400 0.030 0.000 2.097 257 K HA -0.248 4.073 4.320 0.001 0.000 0.206 257 K C 2.098 178.694 176.600 -0.006 0.000 1.049 257 K CA 1.774 58.065 56.287 0.007 0.000 0.933 257 K CB -0.088 32.421 32.500 0.014 0.000 0.717 257 K HN 0.500 nan 8.250 nan 0.000 0.442 258 E N 0.459 120.660 120.200 0.003 0.000 2.072 258 E HA -0.119 4.232 4.350 0.001 0.000 0.190 258 E C 2.107 178.691 176.600 -0.026 0.000 0.982 258 E CA 0.582 56.978 56.400 -0.007 0.000 0.803 258 E CB 0.044 29.747 29.700 0.004 0.000 0.755 258 E HN 0.289 nan 8.360 nan 0.000 0.453 259 L N 0.222 121.425 121.223 -0.032 0.000 2.012 259 L HA -0.207 4.134 4.340 0.001 0.000 0.210 259 L C 2.502 179.326 176.870 -0.078 0.000 1.073 259 L CA 0.836 55.639 54.840 -0.062 0.000 0.748 259 L CB -0.438 41.573 42.059 -0.080 0.000 0.891 259 L HN 0.114 nan 8.230 nan 0.000 0.431 260 V N -0.412 119.455 119.914 -0.078 0.000 2.287 260 V HA -0.315 3.805 4.120 0.001 0.000 0.248 260 V C 2.564 178.624 176.094 -0.057 0.000 1.053 260 V CA 2.496 64.740 62.300 -0.094 0.000 1.027 260 V CB -0.738 31.023 31.823 -0.104 0.000 0.646 260 V HN 0.510 nan 8.190 nan 0.000 0.447 261 T N 0.281 114.810 114.554 -0.041 0.000 2.708 261 T HA -0.112 4.239 4.350 0.001 0.000 0.266 261 T C 1.888 176.568 174.700 -0.033 0.000 1.037 261 T CA 1.522 63.607 62.100 -0.026 0.000 1.146 261 T CB -0.293 68.564 68.868 -0.018 0.000 0.865 261 T HN 0.283 nan 8.240 nan 0.000 0.435 262 L N 0.275 121.470 121.223 -0.047 0.000 2.056 262 L HA -0.056 4.284 4.340 0.001 0.000 0.207 262 L C 2.924 179.743 176.870 -0.086 0.000 1.078 262 L CA 1.339 56.145 54.840 -0.057 0.000 0.749 262 L CB -0.457 41.567 42.059 -0.058 0.000 0.901 262 L HN 0.148 nan 8.230 nan 0.000 0.433 263 R N -0.134 120.283 120.500 -0.138 0.000 2.096 263 R HA -0.144 4.196 4.340 0.001 0.000 0.235 263 R C 2.444 178.694 176.300 -0.083 0.000 1.127 263 R CA 1.326 57.271 56.100 -0.257 0.000 0.968 263 R CB -0.478 29.483 30.300 -0.565 0.000 0.861 263 R HN 0.363 nan 8.270 nan 0.000 0.440 264 A N 0.824 123.636 122.820 -0.013 0.000 1.877 264 A HA -0.249 4.072 4.320 0.001 0.000 0.216 264 A C 2.100 179.710 177.584 0.042 0.000 1.186 264 A CA 1.404 53.476 52.037 0.058 0.000 0.620 264 A CB -0.528 18.500 19.000 0.047 0.000 0.822 264 A HN 0.373 nan 8.150 nan 0.000 0.443 265 Q N -0.344 119.459 119.800 0.006 0.000 2.046 265 Q HA -0.222 4.119 4.340 0.001 0.000 0.200 265 Q C 2.189 178.182 176.000 -0.013 0.000 0.975 265 Q CA 1.975 57.779 55.803 0.001 0.000 0.836 265 Q CB -0.170 28.560 28.738 -0.013 0.000 0.896 265 Q HN 0.688 nan 8.270 nan 0.000 0.428 266 K N 0.118 120.492 120.400 -0.043 0.000 2.063 266 K HA -0.173 4.148 4.320 0.001 0.000 0.208 266 K C 2.194 178.733 176.600 -0.102 0.000 1.048 266 K CA 1.752 57.989 56.287 -0.083 0.000 0.928 266 K CB -0.211 32.217 32.500 -0.120 0.000 0.713 266 K HN 0.302 nan 8.250 nan 0.000 0.442 267 S N 0.512 116.180 115.700 -0.054 0.000 2.382 267 S HA -0.158 4.313 4.470 0.001 0.000 0.228 267 S C 1.981 176.654 174.600 0.121 0.000 1.027 267 S CA 0.897 59.087 58.200 -0.016 0.000 0.991 267 S CB -0.377 62.908 63.200 0.141 0.000 0.823 267 S HN 0.362 nan 8.310 nan 0.000 0.469 268 R N 0.849 121.408 120.500 0.100 0.000 2.075 268 R HA 0.165 4.506 4.340 0.001 0.000 0.232 268 R C 2.411 178.745 176.300 0.056 0.000 1.126 268 R CA 1.398 57.561 56.100 0.104 0.000 0.963 268 R CB -0.706 29.646 30.300 0.087 0.000 0.858 268 R HN 0.408 nan 8.270 nan 0.000 0.435 269 L N 0.706 121.940 121.223 0.018 0.000 2.191 269 L HA -0.157 4.183 4.340 0.001 0.000 0.212 269 L C 1.917 178.785 176.870 -0.004 0.000 1.103 269 L CA 1.010 55.844 54.840 -0.010 0.000 0.769 269 L CB -0.183 41.855 42.059 -0.034 0.000 0.908 269 L HN 0.195 nan 8.230 nan 0.000 0.438 270 L N -0.648 120.594 121.223 0.033 0.000 2.612 270 L HA 0.176 4.517 4.340 0.001 0.000 0.230 270 L C 1.256 178.248 176.870 0.202 0.000 1.140 270 L CA 0.446 55.357 54.840 0.118 0.000 0.896 270 L CB -0.121 41.980 42.059 0.071 0.000 1.065 270 L HN 0.433 nan 8.230 nan 0.000 0.447 271 G N -0.545 108.300 108.800 0.074 0.000 2.131 271 G HA2 -0.268 3.692 3.960 0.001 0.000 0.223 271 G HA3 -0.268 3.692 3.960 0.001 0.000 0.223 271 G C -0.132 174.535 174.900 -0.387 0.000 0.990 271 G CA -0.486 44.529 45.100 -0.141 0.000 0.671 271 G HN 0.165 nan 8.290 nan 0.000 0.521 272 F N -0.955 119.009 119.950 0.024 0.000 2.546 272 F HA 0.594 5.122 4.527 0.001 0.000 0.320 272 F C 1.344 177.194 175.800 0.084 0.000 1.076 272 F CA -0.831 57.181 58.000 0.021 0.000 0.928 272 F CB 1.156 40.220 39.000 0.107 0.000 1.189 272 F HN 0.027 nan 8.300 nan 0.000 0.465 273 H N -0.681 118.521 119.070 0.218 0.000 2.462 273 H HA 0.037 4.593 4.556 0.001 0.000 0.292 273 H C 0.427 175.845 175.328 0.151 0.000 1.049 273 H CA 1.062 57.194 56.048 0.140 0.000 1.334 273 H CB 0.408 30.230 29.762 0.100 0.000 1.404 273 H HN 0.578 nan 8.280 nan 0.000 0.544 274 T N -3.932 110.811 114.554 0.314 0.000 2.883 274 T HA 0.056 4.407 4.350 0.001 0.000 0.301 274 T C 0.432 175.274 174.700 0.236 0.000 1.158 274 T CA -0.887 61.356 62.100 0.238 0.000 1.007 274 T CB 2.045 71.029 68.868 0.193 0.000 1.186 274 T HN 0.140 nan 8.240 nan 0.000 0.499 275 H N 1.674 120.826 119.070 0.138 0.000 2.353 275 H HA 0.128 4.684 4.556 0.001 0.000 0.300 275 H C 2.306 177.687 175.328 0.088 0.000 1.090 275 H CA 2.800 58.917 56.048 0.114 0.000 1.327 275 H CB -0.613 29.234 29.762 0.143 0.000 1.383 275 H HN 0.814 nan 8.280 nan 0.000 0.508 276 A N 0.666 123.516 122.820 0.050 0.000 1.892 276 A HA -0.230 4.090 4.320 0.001 0.000 0.218 276 A C 2.174 179.674 177.584 -0.140 0.000 1.188 276 A CA 2.032 54.032 52.037 -0.063 0.000 0.631 276 A CB -0.640 18.392 19.000 0.052 0.000 0.822 276 A HN 0.591 nan 8.150 nan 0.000 0.447 277 D N -1.914 118.462 120.400 -0.040 0.000 2.178 277 D HA -0.161 4.479 4.640 0.001 0.000 0.201 277 D C 1.658 177.752 176.300 -0.342 0.000 0.980 277 D CA 1.664 55.640 54.000 -0.041 0.000 0.842 277 D CB -0.315 40.598 40.800 0.189 0.000 0.948 277 D HN 0.674 nan 8.370 nan 0.000 0.472 278 Y N 1.776 121.663 120.300 -0.689 0.000 2.163 278 Y HA -0.197 4.353 4.550 0.001 0.000 0.288 278 Y C 2.222 177.652 175.900 -0.783 0.000 1.136 278 Y CA 1.089 58.413 58.100 -1.293 0.000 1.147 278 Y CB -0.450 37.516 38.460 -0.824 0.000 0.987 278 Y HN -0.241 nan 8.280 nan 0.000 0.509 279 V N 0.916 120.423 119.914 -0.679 0.000 2.295 279 V HA -0.323 3.798 4.120 0.001 0.000 0.246 279 V C 2.429 178.245 176.094 -0.464 0.000 1.049 279 V CA 2.157 64.095 62.300 -0.603 0.000 1.024 279 V CB -0.809 30.741 31.823 -0.456 0.000 0.648 279 V HN 0.464 nan 8.190 nan 0.000 0.447 280 L N 0.008 121.014 121.223 -0.361 0.000 2.362 280 L HA -0.138 4.203 4.340 0.001 0.000 0.219 280 L C 2.463 179.183 176.870 -0.251 0.000 1.134 280 L CA 1.246 55.926 54.840 -0.267 0.000 0.807 280 L CB -0.641 41.276 42.059 -0.237 0.000 0.927 280 L HN 0.465 nan 8.230 nan 0.000 0.447 281 E N 0.744 120.760 120.200 -0.305 0.000 2.171 281 E HA -0.257 4.093 4.350 0.001 0.000 0.197 281 E C 1.860 178.356 176.600 -0.173 0.000 0.997 281 E CA 1.305 57.587 56.400 -0.197 0.000 0.810 281 E CB 0.143 29.722 29.700 -0.202 0.000 0.738 281 E HN 0.381 nan 8.360 nan 0.000 0.467 282 M N 0.782 120.247 119.600 -0.225 0.000 2.495 282 M HA 0.172 4.653 4.480 0.001 0.000 0.237 282 M C 0.057 176.275 176.300 -0.137 0.000 1.131 282 M CA 0.256 55.455 55.300 -0.168 0.000 1.032 282 M CB -0.512 31.974 32.600 -0.190 0.000 1.513 282 M HN 0.015 nan 8.290 nan 0.000 0.488 283 N N -0.044 118.563 118.700 -0.155 0.000 2.477 283 N HA 0.273 5.014 4.740 0.001 0.000 0.284 283 N C 0.820 176.247 175.510 -0.138 0.000 1.182 283 N CA -0.364 52.598 53.050 -0.145 0.000 0.949 283 N CB 1.962 40.347 38.487 -0.169 0.000 1.204 283 N HN 0.053 nan 8.380 nan 0.000 0.526 284 M N 1.081 120.609 119.600 -0.120 0.000 2.159 284 M HA -0.155 4.326 4.480 0.001 0.000 0.263 284 M C 1.816 178.058 176.300 -0.096 0.000 1.063 284 M CA 1.689 56.974 55.300 -0.025 0.000 1.110 284 M CB -0.078 32.642 32.600 0.200 0.000 1.374 284 M HN 0.756 nan 8.290 nan 0.000 0.411 285 A N 0.040 122.567 122.820 -0.488 0.000 2.019 285 A HA -0.187 4.133 4.320 0.001 0.000 0.219 285 A C 1.554 178.988 177.584 -0.251 0.000 1.164 285 A CA 1.963 53.620 52.037 -0.633 0.000 0.644 285 A CB -0.307 17.995 19.000 -1.163 0.000 0.805 285 A HN 0.707 nan 8.150 nan 0.000 0.449 286 K N -2.529 117.750 120.400 -0.201 0.000 6.035 286 K HA -0.237 4.083 4.320 0.001 0.000 0.451 286 K C 0.582 177.118 176.600 -0.107 0.000 0.399 286 K CA 2.103 58.319 56.287 -0.118 0.000 1.899 286 K CB -2.093 30.379 32.500 -0.047 0.000 0.814 286 K HN 0.821 nan 8.250 nan 0.000 0.694 287 T N -2.965 111.525 114.554 -0.107 0.000 2.906 287 T HA 0.462 4.812 4.350 0.001 0.000 0.295 287 T C 0.914 175.552 174.700 -0.103 0.000 1.075 287 T CA -0.146 61.915 62.100 -0.066 0.000 1.005 287 T CB 2.011 70.879 68.868 0.001 0.000 1.136 287 T HN 0.158 nan 8.240 nan 0.000 0.498 288 S N 0.464 116.129 115.700 -0.058 0.000 2.399 288 S HA -0.191 4.280 4.470 0.001 0.000 0.231 288 S C 1.909 176.498 174.600 -0.018 0.000 1.022 288 S CA 1.230 59.397 58.200 -0.056 0.000 0.983 288 S CB -0.700 62.506 63.200 0.010 0.000 0.803 288 S HN 0.739 nan 8.310 nan 0.000 0.480 289 Q N 1.742 121.553 119.800 0.019 0.000 2.079 289 Q HA -0.025 4.315 4.340 0.001 0.000 0.200 289 Q C 2.080 178.121 176.000 0.067 0.000 0.974 289 Q CA 2.279 58.112 55.803 0.050 0.000 0.840 289 Q CB -1.288 27.486 28.738 0.060 0.000 0.898 289 Q HN 0.605 nan 8.270 nan 0.000 0.430 290 T N -0.367 114.219 114.554 0.053 0.000 2.788 290 T HA -0.099 4.252 4.350 0.001 0.000 0.268 290 T C 1.727 176.526 174.700 0.164 0.000 1.044 290 T CA 1.382 63.555 62.100 0.122 0.000 1.139 290 T CB -0.276 68.650 68.868 0.097 0.000 0.867 290 T HN 0.101 nan 8.240 nan 0.000 0.454 291 V N 1.545 121.441 119.914 -0.029 0.000 2.307 291 V HA -0.114 4.007 4.120 0.001 0.000 0.245 291 V C 2.877 179.058 176.094 0.146 0.000 1.045 291 V CA 1.578 63.826 62.300 -0.086 0.000 1.024 291 V CB -1.177 30.340 31.823 -0.509 0.000 0.651 291 V HN 0.510 nan 8.190 nan 0.000 0.449 292 A N -0.173 122.706 122.820 0.097 0.000 1.908 292 A HA -0.251 4.070 4.320 0.001 0.000 0.218 292 A C 2.401 180.080 177.584 0.159 0.000 1.181 292 A CA 2.655 54.768 52.037 0.126 0.000 0.627 292 A CB -1.045 18.009 19.000 0.090 0.000 0.818 292 A HN 0.500 nan 8.150 nan 0.000 0.445 293 T N -0.902 113.755 114.554 0.170 0.000 2.746 293 T HA -0.125 4.225 4.350 0.001 0.000 0.267 293 T C 1.599 176.424 174.700 0.208 0.000 1.039 293 T CA 1.523 63.722 62.100 0.166 0.000 1.142 293 T CB -0.408 68.559 68.868 0.165 0.000 0.866 293 T HN 0.495 nan 8.240 nan 0.000 0.444 294 F N 1.779 121.824 119.950 0.158 0.000 2.069 294 F HA -0.079 4.449 4.527 0.001 0.000 0.298 294 F C 1.916 177.796 175.800 0.132 0.000 1.113 294 F CA 1.317 59.422 58.000 0.176 0.000 1.214 294 F CB -0.439 38.765 39.000 0.341 0.000 0.978 294 F HN 0.043 nan 8.300 nan 0.000 0.474 295 L N -0.131 121.264 121.223 0.288 0.000 2.056 295 L HA -0.200 4.140 4.340 0.001 0.000 0.207 295 L C 2.156 179.048 176.870 0.036 0.000 1.078 295 L CA 1.355 56.288 54.840 0.155 0.000 0.749 295 L CB -0.886 41.336 42.059 0.271 0.000 0.901 295 L HN 0.106 nan 8.230 nan 0.000 0.433 296 D N 0.126 120.562 120.400 0.060 0.000 2.117 296 D HA -0.165 4.475 4.640 0.001 0.000 0.197 296 D C 2.145 178.442 176.300 -0.004 0.000 0.987 296 D CA 1.137 55.158 54.000 0.035 0.000 0.829 296 D CB -0.067 40.764 40.800 0.052 0.000 0.961 296 D HN 0.384 nan 8.370 nan 0.000 0.460 297 E N 0.029 120.213 120.200 -0.027 0.000 2.077 297 E HA -0.145 4.206 4.350 0.001 0.000 0.193 297 E C 2.089 178.634 176.600 -0.091 0.000 0.989 297 E CA 0.309 56.680 56.400 -0.048 0.000 0.800 297 E CB -0.077 29.596 29.700 -0.046 0.000 0.746 297 E HN 0.107 nan 8.360 nan 0.000 0.452 298 L N 1.118 122.228 121.223 -0.188 0.000 2.046 298 L HA -0.127 4.214 4.340 0.001 0.000 0.208 298 L C 2.260 179.094 176.870 -0.061 0.000 1.077 298 L CA 1.911 56.641 54.840 -0.185 0.000 0.747 298 L CB -0.614 41.222 42.059 -0.371 0.000 0.896 298 L HN 0.037 nan 8.230 nan 0.000 0.432 299 A N -1.146 121.650 122.820 -0.039 0.000 1.902 299 A HA -0.297 4.023 4.320 0.001 0.000 0.217 299 A C 2.310 179.892 177.584 -0.003 0.000 1.181 299 A CA 1.872 53.907 52.037 -0.003 0.000 0.623 299 A CB -0.737 18.270 19.000 0.010 0.000 0.818 299 A HN 0.654 nan 8.150 nan 0.000 0.443 300 Q N -0.126 119.669 119.800 -0.008 0.000 2.050 300 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 300 Q C 1.901 177.898 176.000 -0.004 0.000 0.980 300 Q CA 1.978 57.779 55.803 -0.004 0.000 0.840 300 Q CB -0.160 28.576 28.738 -0.002 0.000 0.898 300 Q HN 0.675 nan 8.270 nan 0.000 0.424 301 K N 0.042 120.438 120.400 -0.006 0.000 2.148 301 K HA -0.074 4.247 4.320 0.001 0.000 0.204 301 K C 1.943 178.545 176.600 0.003 0.000 1.050 301 K CA 0.991 57.277 56.287 -0.001 0.000 0.942 301 K CB 0.040 32.541 32.500 0.001 0.000 0.724 301 K HN 0.265 nan 8.250 nan 0.000 0.446 302 L N 0.730 121.960 121.223 0.011 0.000 2.509 302 L HA -0.006 4.335 4.340 0.001 0.000 0.222 302 L C 2.287 179.161 176.870 0.006 0.000 1.123 302 L CA 0.307 55.157 54.840 0.016 0.000 0.856 302 L CB -0.147 41.937 42.059 0.043 0.000 0.985 302 L HN 0.126 nan 8.230 nan 0.000 0.456 303 K N 1.242 121.643 120.400 0.002 0.000 2.034 303 K HA -0.200 4.121 4.320 0.001 0.000 0.214 303 K C -0.483 176.113 176.600 -0.006 0.000 1.051 303 K CA 1.971 58.257 56.287 -0.003 0.000 0.931 303 K CB -0.826 31.672 32.500 -0.004 0.000 0.715 303 K HN 0.181 nan 8.250 nan 0.000 0.446 304 P HA -0.189 nan 4.420 nan 0.000 0.216 304 P C 1.539 178.833 177.300 -0.011 0.000 1.150 304 P CA 1.069 64.162 63.100 -0.010 0.000 0.837 304 P CB -0.045 31.648 31.700 -0.012 0.000 0.786 305 L N 0.309 121.526 121.223 -0.011 0.000 2.093 305 L HA 0.066 4.407 4.340 0.001 0.000 0.208 305 L C 2.524 179.393 176.870 -0.002 0.000 1.085 305 L CA 2.139 56.973 54.840 -0.010 0.000 0.755 305 L CB -1.622 40.427 42.059 -0.017 0.000 0.904 305 L HN -0.053 nan 8.230 nan 0.000 0.435 306 G N -1.203 107.598 108.800 0.000 0.000 2.418 306 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 306 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 306 G C 1.432 176.329 174.900 -0.004 0.000 1.158 306 G CA 0.706 45.807 45.100 0.002 0.000 0.771 306 G HN 0.504 nan 8.290 nan 0.000 0.545 307 E N 0.180 120.375 120.200 -0.008 0.000 2.058 307 E HA -0.175 4.176 4.350 0.001 0.000 0.194 307 E C 2.660 179.254 176.600 -0.010 0.000 0.997 307 E CA 1.105 57.498 56.400 -0.012 0.000 0.801 307 E CB -0.153 29.539 29.700 -0.013 0.000 0.746 307 E HN 0.522 nan 8.360 nan 0.000 0.450 308 Q N 0.594 120.389 119.800 -0.008 0.000 2.061 308 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 308 Q C 2.079 178.078 176.000 -0.001 0.000 0.984 308 Q CA 1.458 57.257 55.803 -0.007 0.000 0.846 308 Q CB -0.056 28.678 28.738 -0.007 0.000 0.902 308 Q HN 0.329 nan 8.270 nan 0.000 0.421 309 E N 0.192 120.396 120.200 0.006 0.000 2.106 309 E HA -0.149 4.202 4.350 0.001 0.000 0.192 309 E C 2.053 178.659 176.600 0.009 0.000 0.984 309 E CA 0.625 57.035 56.400 0.017 0.000 0.806 309 E CB 0.006 29.722 29.700 0.028 0.000 0.750 309 E HN 0.246 nan 8.360 nan 0.000 0.458 310 R N 0.412 120.911 120.500 -0.003 0.000 2.115 310 R HA -0.032 4.309 4.340 0.001 0.000 0.230 310 R C 2.348 178.635 176.300 -0.021 0.000 1.111 310 R CA 0.888 56.979 56.100 -0.014 0.000 0.976 310 R CB -0.204 30.082 30.300 -0.023 0.000 0.870 310 R HN 0.087 nan 8.270 nan 0.000 0.445 311 A N 0.807 123.617 122.820 -0.017 0.000 1.902 311 A HA -0.114 4.206 4.320 0.001 0.000 0.217 311 A C 2.341 179.911 177.584 -0.025 0.000 1.181 311 A CA 1.321 53.346 52.037 -0.019 0.000 0.623 311 A CB -0.518 18.472 19.000 -0.017 0.000 0.818 311 A HN 0.099 nan 8.150 nan 0.000 0.443 312 V N 0.139 120.042 119.914 -0.019 0.000 2.295 312 V HA -0.268 3.852 4.120 0.001 0.000 0.246 312 V C 2.430 178.504 176.094 -0.034 0.000 1.049 312 V CA 2.074 64.363 62.300 -0.019 0.000 1.024 312 V CB -0.627 31.197 31.823 0.002 0.000 0.648 312 V HN 0.573 nan 8.190 nan 0.000 0.447 313 I N -0.721 119.832 120.570 -0.029 0.000 2.226 313 I HA -0.240 3.930 4.170 0.001 0.000 0.245 313 I C 2.380 178.386 176.117 -0.186 0.000 1.100 313 I CA 1.272 62.530 61.300 -0.070 0.000 1.374 313 I CB -0.313 37.679 38.000 -0.012 0.000 1.057 313 I HN 0.301 nan 8.210 nan 0.000 0.413 314 L N 1.140 122.301 121.223 -0.104 0.000 2.042 314 L HA -0.240 4.101 4.340 0.001 0.000 0.210 314 L C 2.405 179.229 176.870 -0.076 0.000 1.076 314 L CA 2.005 56.811 54.840 -0.056 0.000 0.749 314 L CB -0.650 41.416 42.059 0.012 0.000 0.893 314 L HN 0.204 nan 8.230 nan 0.000 0.432 315 E N -0.485 119.659 120.200 -0.093 0.000 2.072 315 E HA -0.193 4.158 4.350 0.001 0.000 0.191 315 E C 2.141 178.637 176.600 -0.172 0.000 0.985 315 E CA 1.560 57.885 56.400 -0.124 0.000 0.801 315 E CB -0.454 29.197 29.700 -0.082 0.000 0.750 315 E HN 0.555 nan 8.360 nan 0.000 0.452 316 L N 0.407 121.534 121.223 -0.160 0.000 2.046 316 L HA -0.171 4.169 4.340 0.001 0.000 0.208 316 L C 2.726 179.458 176.870 -0.230 0.000 1.077 316 L CA 1.738 56.504 54.840 -0.123 0.000 0.747 316 L CB -0.487 41.567 42.059 -0.008 0.000 0.896 316 L HN 0.178 nan 8.230 nan 0.000 0.432 317 K N 0.308 120.381 120.400 -0.545 0.000 2.097 317 K HA -0.210 4.111 4.320 0.001 0.000 0.205 317 K C 2.361 178.785 176.600 -0.294 0.000 1.050 317 K CA 1.052 57.041 56.287 -0.496 0.000 0.938 317 K CB -0.008 32.207 32.500 -0.474 0.000 0.718 317 K HN 0.121 nan 8.250 nan 0.000 0.442 318 R N 0.366 120.512 120.500 -0.589 0.000 2.070 318 R HA -0.142 4.198 4.340 0.001 0.000 0.233 318 R C 2.153 178.123 176.300 -0.549 0.000 1.137 318 R CA 1.554 56.929 56.100 -1.208 0.000 0.945 318 R CB -0.417 29.265 30.300 -1.031 0.000 0.845 318 R HN 0.271 nan 8.270 nan 0.000 0.430 319 A N 0.941 123.575 122.820 -0.310 0.000 1.883 319 A HA -0.246 4.074 4.320 0.001 0.000 0.217 319 A C 2.040 179.576 177.584 -0.080 0.000 1.186 319 A CA 1.853 53.794 52.037 -0.160 0.000 0.624 319 A CB -0.607 18.333 19.000 -0.099 0.000 0.822 319 A HN 0.641 nan 8.150 nan 0.000 0.444 320 E N -0.821 119.374 120.200 -0.009 0.000 2.072 320 E HA -0.175 4.175 4.350 0.001 0.000 0.191 320 E C 1.932 178.566 176.600 0.058 0.000 0.985 320 E CA 1.470 57.923 56.400 0.089 0.000 0.801 320 E CB -0.330 29.543 29.700 0.288 0.000 0.750 320 E HN 0.591 nan 8.360 nan 0.000 0.452 321 C N 0.980 120.301 119.300 0.035 0.000 2.425 321 C HA -0.094 4.366 4.460 0.001 0.000 0.277 321 C C 2.583 177.577 174.990 0.007 0.000 1.280 321 C CA 1.117 60.168 59.018 0.056 0.000 1.744 321 C CB -0.918 26.893 27.740 0.118 0.000 1.989 321 C HN 0.619 nan 8.230 nan 0.000 0.491 322 E N 0.735 120.899 120.200 -0.060 0.000 2.051 322 E HA -0.239 4.111 4.350 0.001 0.000 0.192 322 E C 2.446 179.030 176.600 -0.027 0.000 0.991 322 E CA 0.993 57.361 56.400 -0.053 0.000 0.799 322 E CB -0.245 29.398 29.700 -0.095 0.000 0.748 322 E HN 0.534 nan 8.360 nan 0.000 0.449 323 R N 0.223 120.707 120.500 -0.026 0.000 2.081 323 R HA -0.090 4.251 4.340 0.001 0.000 0.235 323 R C 2.051 178.343 176.300 -0.015 0.000 1.131 323 R CA 1.567 57.656 56.100 -0.018 0.000 0.960 323 R CB 0.019 30.311 30.300 -0.013 0.000 0.856 323 R HN 0.076 nan 8.270 nan 0.000 0.436 324 R N -1.016 119.480 120.500 -0.006 0.000 2.317 324 R HA 0.116 4.457 4.340 0.001 0.000 0.208 324 R C 0.663 176.967 176.300 0.006 0.000 0.914 324 R CA 0.521 56.614 56.100 -0.011 0.000 1.060 324 R CB 0.664 30.957 30.300 -0.012 0.000 1.015 324 R HN 0.477 nan 8.270 nan 0.000 0.498 325 G N 1.655 110.463 108.800 0.013 0.000 2.221 325 G HA2 -0.274 3.687 3.960 0.001 0.000 0.265 325 G HA3 -0.274 3.687 3.960 0.001 0.000 0.265 325 G C -0.048 174.875 174.900 0.039 0.000 1.041 325 G CA 0.049 45.162 45.100 0.021 0.000 0.807 325 G HN 0.159 nan 8.290 nan 0.000 0.502 326 L N 0.702 121.959 121.223 0.055 0.000 2.375 326 L HA 0.593 4.933 4.340 0.001 0.000 0.268 326 L C -1.227 175.707 176.870 0.107 0.000 1.058 326 L CA -2.396 52.492 54.840 0.079 0.000 0.803 326 L CB 1.156 43.272 42.059 0.096 0.000 1.212 326 L HN -0.016 nan 8.230 nan 0.000 0.451 327 P HA 0.094 nan 4.420 nan 0.000 0.274 327 P C -1.269 176.156 177.300 0.208 0.000 1.231 327 P CA -0.113 63.065 63.100 0.129 0.000 0.790 327 P CB 0.808 32.561 31.700 0.090 0.000 0.951 328 F N 2.910 122.876 119.950 0.026 0.000 2.445 328 F HA 0.212 4.739 4.527 0.001 0.000 0.348 328 F C 0.591 176.397 175.800 0.011 0.000 1.125 328 F CA -1.193 56.817 58.000 0.017 0.000 0.983 328 F CB 0.940 39.941 39.000 0.001 0.000 1.198 328 F HN 0.185 nan 8.300 nan 0.000 0.436 329 D N 2.827 122.940 120.400 -0.480 0.000 2.340 329 D HA 0.130 4.770 4.640 0.001 0.000 0.220 329 D C 1.578 177.466 176.300 -0.687 0.000 1.039 329 D CA 0.619 54.359 54.000 -0.433 0.000 0.866 329 D CB -0.254 40.420 40.800 -0.210 0.000 0.913 329 D HN 0.910 nan 8.370 nan 0.000 0.523 330 G N 0.321 108.194 108.800 -1.546 0.000 2.179 330 G HA2 -0.326 3.635 3.960 0.001 0.000 0.257 330 G HA3 -0.326 3.635 3.960 0.001 0.000 0.257 330 G C 0.074 174.677 174.900 -0.495 0.000 1.010 330 G CA 0.223 44.656 45.100 -1.112 0.000 0.736 330 G HN 0.510 nan 8.290 nan 0.000 0.513 331 R N -1.152 119.078 120.500 -0.450 0.000 2.698 331 R HA 0.533 4.873 4.340 0.001 0.000 0.275 331 R C -0.219 175.942 176.300 -0.232 0.000 1.001 331 R CA -1.093 54.854 56.100 -0.256 0.000 0.896 331 R CB 1.542 31.710 30.300 -0.220 0.000 1.218 331 R HN 0.164 nan 8.270 nan 0.000 0.462 332 I N 3.648 124.106 120.570 -0.187 0.000 2.337 332 I HA 0.227 4.398 4.170 0.001 0.000 0.291 332 I C 0.485 176.426 176.117 -0.293 0.000 1.046 332 I CA -0.339 60.847 61.300 -0.190 0.000 1.324 332 I CB 0.364 38.291 38.000 -0.122 0.000 1.409 332 I HN 0.213 nan 8.210 nan 0.000 0.494 333 R N 4.278 124.490 120.500 -0.480 0.000 2.596 333 R HA 0.467 4.808 4.340 0.001 0.000 0.267 333 R C 0.958 176.891 176.300 -0.612 0.000 1.026 333 R CA -0.484 55.128 56.100 -0.814 0.000 1.087 333 R CB 0.979 30.166 30.300 -1.855 0.000 1.132 333 R HN 0.714 nan 8.270 nan 0.000 0.531 334 A N 1.157 123.707 122.820 -0.450 0.000 1.986 334 A HA -0.181 4.140 4.320 0.001 0.000 0.220 334 A C 1.444 179.023 177.584 -0.008 0.000 1.171 334 A CA 1.746 53.717 52.037 -0.109 0.000 0.640 334 A CB -0.658 18.395 19.000 0.087 0.000 0.811 334 A HN 0.860 nan 8.150 nan 0.000 0.451 335 W N -0.976 120.341 121.300 0.029 0.000 3.345 335 W HA 0.332 4.992 4.660 0.001 0.000 0.282 335 W C 0.183 176.705 176.519 0.006 0.000 1.302 335 W CA 0.313 57.656 57.345 -0.003 0.000 1.724 335 W CB -0.034 29.420 29.460 -0.010 0.000 1.104 335 W HN 0.121 nan 8.180 nan 0.000 0.694 336 D N 0.307 120.642 120.400 -0.108 0.000 2.380 336 D HA -0.059 4.582 4.640 0.001 0.000 0.212 336 D C 2.253 178.673 176.300 0.200 0.000 1.021 336 D CA 0.605 54.669 54.000 0.107 0.000 0.884 336 D CB -0.178 40.666 40.800 0.072 0.000 1.001 336 D HN 0.009 nan 8.370 nan 0.000 0.506 337 M N 0.913 120.554 119.600 0.068 0.000 2.255 337 M HA -0.187 4.294 4.480 0.001 0.000 0.260 337 M C 2.170 178.509 176.300 0.065 0.000 1.069 337 M CA 1.696 57.036 55.300 0.066 0.000 1.089 337 M CB -1.070 31.537 32.600 0.011 0.000 1.269 337 M HN -0.005 nan 8.290 nan 0.000 0.434 338 R N -1.549 118.953 120.500 0.003 0.000 2.105 338 R HA -0.206 4.134 4.340 0.001 0.000 0.239 338 R C 2.206 178.485 176.300 -0.035 0.000 1.135 338 R CA 1.632 57.708 56.100 -0.040 0.000 0.967 338 R CB -0.628 29.580 30.300 -0.154 0.000 0.861 338 R HN 0.389 nan 8.270 nan 0.000 0.442 339 Y N 0.162 120.367 120.300 -0.158 0.000 2.114 339 Y HA -0.284 4.267 4.550 0.001 0.000 0.284 339 Y C 1.755 177.468 175.900 -0.312 0.000 1.143 339 Y CA 1.596 59.533 58.100 -0.271 0.000 1.135 339 Y CB -0.376 37.856 38.460 -0.379 0.000 0.980 339 Y HN -0.021 nan 8.280 nan 0.000 0.499 340 Y N -0.846 119.480 120.300 0.043 0.000 2.373 340 Y HA -0.164 4.387 4.550 0.001 0.000 0.293 340 Y C 2.482 178.347 175.900 -0.059 0.000 1.129 340 Y CA 1.248 59.328 58.100 -0.034 0.000 1.226 340 Y CB -0.497 38.004 38.460 0.068 0.000 1.000 340 Y HN 0.177 nan 8.280 nan 0.000 0.549 341 M N -0.570 119.071 119.600 0.068 0.000 2.175 341 M HA -0.209 4.272 4.480 0.001 0.000 0.264 341 M C 1.974 178.260 176.300 -0.023 0.000 1.063 341 M CA 1.735 57.058 55.300 0.039 0.000 1.119 341 M CB -0.339 32.286 32.600 0.041 0.000 1.377 341 M HN 0.230 nan 8.290 nan 0.000 0.415 342 N N 0.211 118.853 118.700 -0.096 0.000 2.188 342 N HA -0.205 4.535 4.740 0.001 0.000 0.184 342 N C 1.681 177.102 175.510 -0.148 0.000 1.018 342 N CA 1.370 54.340 53.050 -0.133 0.000 0.858 342 N CB -0.026 38.343 38.487 -0.196 0.000 0.989 342 N HN 0.324 nan 8.380 nan 0.000 0.426 343 Q N -0.419 119.250 119.800 -0.217 0.000 2.119 343 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 343 Q C 1.817 177.806 176.000 -0.018 0.000 0.972 343 Q CA 1.207 56.914 55.803 -0.160 0.000 0.847 343 Q CB 0.052 28.683 28.738 -0.179 0.000 0.903 343 Q HN 0.246 nan 8.270 nan 0.000 0.433 344 V N 0.997 120.933 119.914 0.037 0.000 2.287 344 V HA -0.295 3.825 4.120 0.001 0.000 0.248 344 V C 2.188 178.384 176.094 0.170 0.000 1.053 344 V CA 2.317 64.681 62.300 0.108 0.000 1.027 344 V CB -0.588 31.314 31.823 0.131 0.000 0.646 344 V HN 0.491 nan 8.190 nan 0.000 0.447 345 E N -0.103 120.153 120.200 0.093 0.000 2.077 345 E HA -0.250 4.101 4.350 0.001 0.000 0.193 345 E C 2.164 178.824 176.600 0.101 0.000 0.989 345 E CA 1.651 58.103 56.400 0.085 0.000 0.800 345 E CB -0.059 29.623 29.700 -0.029 0.000 0.746 345 E HN 0.723 nan 8.360 nan 0.000 0.452 346 E N -0.779 119.442 120.200 0.035 0.000 2.158 346 E HA -0.101 4.250 4.350 0.001 0.000 0.191 346 E C 1.990 178.605 176.600 0.025 0.000 0.982 346 E CA 1.537 57.948 56.400 0.018 0.000 0.823 346 E CB 0.159 29.844 29.700 -0.026 0.000 0.766 346 E HN 0.405 nan 8.360 nan 0.000 0.468 347 T N -1.917 112.652 114.554 0.025 0.000 2.990 347 T HA 0.171 4.521 4.350 0.001 0.000 0.249 347 T C 1.765 176.457 174.700 -0.012 0.000 1.039 347 T CA -0.374 61.729 62.100 0.006 0.000 1.036 347 T CB 0.328 69.194 68.868 -0.003 0.000 0.994 347 T HN -0.094 nan 8.240 nan 0.000 0.489 348 R N -0.247 120.257 120.500 0.007 0.000 2.175 348 R HA 0.270 4.610 4.340 0.001 0.000 0.202 348 R C 1.056 177.165 176.300 -0.318 0.000 1.018 348 R CA 0.760 56.776 56.100 -0.140 0.000 1.029 348 R CB -0.285 29.945 30.300 -0.118 0.000 0.959 348 R HN 0.481 nan 8.270 nan 0.000 0.480 349 Y N -1.041 119.243 120.300 -0.027 0.000 2.535 349 Y HA 0.126 4.677 4.550 0.001 0.000 0.264 349 Y C 1.550 177.438 175.900 -0.021 0.000 1.087 349 Y CA -0.338 57.746 58.100 -0.027 0.000 1.285 349 Y CB 0.118 38.559 38.460 -0.031 0.000 1.200 349 Y HN -0.030 nan 8.280 nan 0.000 0.514 350 C N -1.540 117.835 119.300 0.124 0.000 1.690 350 C HA -0.287 4.174 4.460 0.001 0.000 0.095 350 C C 0.628 175.658 174.990 0.066 0.000 0.715 350 C CA -0.627 58.430 59.018 0.066 0.000 0.789 350 C CB -1.880 25.880 27.740 0.033 0.000 3.214 350 C HN 0.262 nan 8.230 nan 0.000 1.074 351 V N 1.578 121.525 119.914 0.054 0.000 3.683 351 V HA -0.114 4.006 4.120 0.001 0.000 0.493 351 V C -0.333 175.785 176.094 0.041 0.000 0.682 351 V CA 1.439 63.765 62.300 0.044 0.000 2.008 351 V CB -0.635 31.212 31.823 0.040 0.000 2.427 351 V HN 0.982 nan 8.190 nan 0.000 0.505 352 D N 5.793 126.223 120.400 0.049 0.000 2.411 352 D HA 0.335 4.976 4.640 0.001 0.000 0.225 352 D C 1.171 177.511 176.300 0.068 0.000 1.156 352 D CA -0.369 53.665 54.000 0.056 0.000 0.874 352 D CB 1.141 41.980 40.800 0.065 0.000 1.034 352 D HN 0.469 nan 8.370 nan 0.000 0.502 353 Q N 2.670 122.500 119.800 0.051 0.000 2.234 353 Q HA -0.150 4.191 4.340 0.001 0.000 0.206 353 Q C 1.119 177.164 176.000 0.076 0.000 0.980 353 Q CA 0.943 56.777 55.803 0.053 0.000 0.869 353 Q CB -0.019 28.739 28.738 0.032 0.000 0.912 353 Q HN 0.609 nan 8.270 nan 0.000 0.436 354 N N 0.551 119.295 118.700 0.072 0.000 2.084 354 N HA -0.144 4.596 4.740 0.001 0.000 0.190 354 N C 1.882 177.461 175.510 0.115 0.000 1.030 354 N CA 0.800 53.895 53.050 0.076 0.000 0.849 354 N CB -0.288 38.238 38.487 0.064 0.000 1.012 354 N HN 0.177 nan 8.380 nan 0.000 0.423 355 L N 1.053 122.362 121.223 0.143 0.000 2.044 355 L HA 0.006 4.346 4.340 0.001 0.000 0.205 355 L C 2.146 179.213 176.870 0.327 0.000 1.075 355 L CA 1.079 56.049 54.840 0.216 0.000 0.747 355 L CB -0.872 41.309 42.059 0.204 0.000 0.903 355 L HN 0.027 nan 8.230 nan 0.000 0.435 356 L N 0.653 122.044 121.223 0.279 0.000 2.013 356 L HA -0.259 4.081 4.340 0.001 0.000 0.212 356 L C 2.658 179.811 176.870 0.472 0.000 1.073 356 L CA 2.562 57.618 54.840 0.360 0.000 0.753 356 L CB -0.937 41.230 42.059 0.180 0.000 0.890 356 L HN 0.570 nan 8.230 nan 0.000 0.432 357 K N -0.921 119.645 120.400 0.276 0.000 2.281 357 K HA -0.206 4.114 4.320 0.001 0.000 0.203 357 K C 1.542 178.260 176.600 0.196 0.000 1.046 357 K CA 1.792 58.221 56.287 0.236 0.000 0.938 357 K CB -0.593 31.962 32.500 0.093 0.000 0.737 357 K HN 0.523 nan 8.250 nan 0.000 0.458 358 E N 0.127 120.407 120.200 0.132 0.000 2.268 358 E HA -0.150 4.201 4.350 0.001 0.000 0.195 358 E C 0.793 177.240 176.600 -0.255 0.000 0.995 358 E CA 0.927 57.267 56.400 -0.098 0.000 0.836 358 E CB -0.120 29.474 29.700 -0.176 0.000 0.763 358 E HN 0.536 nan 8.360 nan 0.000 0.491 359 Y N -1.216 119.105 120.300 0.034 0.000 2.466 359 Y HA 0.102 4.653 4.550 0.001 0.000 0.272 359 Y C 0.344 175.991 175.900 -0.423 0.000 1.169 359 Y CA 0.097 58.102 58.100 -0.158 0.000 1.285 359 Y CB 0.383 38.731 38.460 -0.187 0.000 1.078 359 Y HN -0.081 nan 8.280 nan 0.000 0.523 360 F N 0.730 120.741 119.950 0.102 0.000 2.530 360 F HA 0.405 4.933 4.527 0.001 0.000 0.318 360 F C -2.631 173.168 175.800 -0.001 0.000 1.356 360 F CA -3.114 54.917 58.000 0.051 0.000 1.135 360 F CB 0.313 39.333 39.000 0.033 0.000 1.315 360 F HN -0.174 nan 8.300 nan 0.000 0.549 361 P HA -0.011 nan 4.420 nan 0.000 0.271 361 P C 1.196 178.545 177.300 0.082 0.000 1.216 361 P CA 0.276 63.405 63.100 0.047 0.000 0.771 361 P CB 1.589 33.319 31.700 0.050 0.000 0.864 362 V N 3.533 123.492 119.914 0.075 0.000 2.317 362 V HA -0.368 3.753 4.120 0.001 0.000 0.251 362 V C 1.792 177.987 176.094 0.168 0.000 1.065 362 V CA 2.317 64.683 62.300 0.111 0.000 1.049 362 V CB -0.919 31.008 31.823 0.174 0.000 0.651 362 V HN 0.544 nan 8.190 nan 0.000 0.450 363 Q N -0.241 119.649 119.800 0.151 0.000 2.096 363 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 363 Q C 2.037 178.121 176.000 0.140 0.000 0.982 363 Q CA 2.268 58.161 55.803 0.151 0.000 0.850 363 Q CB -0.830 27.973 28.738 0.108 0.000 0.901 363 Q HN 0.584 nan 8.270 nan 0.000 0.422 364 V N -0.152 119.827 119.914 0.108 0.000 2.453 364 V HA -0.178 3.943 4.120 0.001 0.000 0.247 364 V C 2.096 178.261 176.094 0.118 0.000 1.048 364 V CA 1.192 63.552 62.300 0.099 0.000 1.049 364 V CB -0.434 31.414 31.823 0.042 0.000 0.672 364 V HN 0.197 nan 8.190 nan 0.000 0.457 365 V N -0.111 119.876 119.914 0.123 0.000 2.307 365 V HA -0.259 3.862 4.120 0.001 0.000 0.245 365 V C 2.594 178.701 176.094 0.022 0.000 1.045 365 V CA 2.616 64.983 62.300 0.111 0.000 1.024 365 V CB -1.009 30.908 31.823 0.157 0.000 0.651 365 V HN 0.583 nan 8.190 nan 0.000 0.449 366 T N -1.032 113.587 114.554 0.109 0.000 2.684 366 T HA -0.292 4.059 4.350 0.001 0.000 0.267 366 T C 1.886 176.581 174.700 -0.008 0.000 1.036 366 T CA 2.314 64.447 62.100 0.054 0.000 1.148 366 T CB -0.394 68.617 68.868 0.238 0.000 0.863 366 T HN 0.683 nan 8.240 nan 0.000 0.436 367 H N 0.628 119.703 119.070 0.007 0.000 2.319 367 H HA 0.002 4.559 4.556 0.001 0.000 0.299 367 H C 2.353 177.674 175.328 -0.012 0.000 1.092 367 H CA 1.939 57.993 56.048 0.010 0.000 1.302 367 H CB -0.768 29.015 29.762 0.035 0.000 1.373 367 H HN 0.330 nan 8.280 nan 0.000 0.497 368 G N 0.369 109.165 108.800 -0.007 0.000 2.402 368 G HA2 -0.230 3.730 3.960 0.001 0.000 0.216 368 G HA3 -0.230 3.730 3.960 0.001 0.000 0.216 368 G C 1.839 176.695 174.900 -0.073 0.000 1.162 368 G CA 0.703 45.776 45.100 -0.044 0.000 0.777 368 G HN 0.480 nan 8.290 nan 0.000 0.539 369 L N 0.076 121.230 121.223 -0.114 0.000 1.994 369 L HA 0.025 4.365 4.340 0.001 0.000 0.208 369 L C 2.801 179.528 176.870 -0.239 0.000 1.071 369 L CA 1.161 55.897 54.840 -0.173 0.000 0.745 369 L CB -0.202 41.563 42.059 -0.491 0.000 0.892 369 L HN 0.182 nan 8.230 nan 0.000 0.431 370 L N -0.427 120.598 121.223 -0.329 0.000 2.131 370 L HA -0.149 4.191 4.340 0.001 0.000 0.210 370 L C 2.600 179.431 176.870 -0.065 0.000 1.092 370 L CA 1.138 55.864 54.840 -0.190 0.000 0.759 370 L CB -1.260 40.737 42.059 -0.102 0.000 0.903 370 L HN 0.458 nan 8.230 nan 0.000 0.435 371 G N 0.359 109.052 108.800 -0.178 0.000 2.418 371 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 371 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 371 G C 1.587 176.434 174.900 -0.089 0.000 1.158 371 G CA 0.592 45.586 45.100 -0.177 0.000 0.771 371 G HN 0.268 nan 8.290 nan 0.000 0.545 372 I N -0.809 119.731 120.570 -0.050 0.000 2.179 372 I HA -0.165 4.005 4.170 0.001 0.000 0.242 372 I C 2.459 178.507 176.117 -0.114 0.000 1.088 372 I CA 1.035 62.312 61.300 -0.039 0.000 1.357 372 I CB -0.267 37.748 38.000 0.024 0.000 1.051 372 I HN 0.131 nan 8.210 nan 0.000 0.409 373 Y N 0.888 121.113 120.300 -0.125 0.000 2.293 373 Y HA -0.245 4.305 4.550 0.001 0.000 0.291 373 Y C 2.756 178.627 175.900 -0.048 0.000 1.137 373 Y CA 1.311 59.374 58.100 -0.062 0.000 1.202 373 Y CB -0.283 38.214 38.460 0.062 0.000 0.990 373 Y HN 0.195 nan 8.280 nan 0.000 0.537 374 Q N -0.061 119.699 119.800 -0.067 0.000 2.020 374 Q HA -0.270 4.071 4.340 0.001 0.000 0.202 374 Q C 2.246 178.177 176.000 -0.114 0.000 0.982 374 Q CA 1.867 57.480 55.803 -0.316 0.000 0.838 374 Q CB -0.198 28.272 28.738 -0.447 0.000 0.899 374 Q HN 0.551 nan 8.270 nan 0.000 0.423 375 E N 0.239 120.403 120.200 -0.060 0.000 2.077 375 E HA -0.212 4.138 4.350 0.001 0.000 0.193 375 E C 1.959 178.593 176.600 0.056 0.000 0.989 375 E CA 0.616 57.016 56.400 0.001 0.000 0.800 375 E CB 0.050 29.761 29.700 0.018 0.000 0.746 375 E HN 0.150 nan 8.360 nan 0.000 0.452 376 L N 0.506 121.764 121.223 0.057 0.000 2.046 376 L HA -0.100 4.240 4.340 0.001 0.000 0.208 376 L C 1.953 178.923 176.870 0.167 0.000 1.077 376 L CA 1.586 56.497 54.840 0.118 0.000 0.747 376 L CB -0.109 41.939 42.059 -0.018 0.000 0.896 376 L HN 0.232 nan 8.230 nan 0.000 0.432 377 L N -1.333 119.976 121.223 0.144 0.000 2.640 377 L HA 0.349 4.689 4.340 0.001 0.000 0.230 377 L C 1.116 178.054 176.870 0.114 0.000 1.123 377 L CA 0.349 55.289 54.840 0.167 0.000 0.900 377 L CB -0.388 41.798 42.059 0.211 0.000 1.146 377 L HN 0.379 nan 8.230 nan 0.000 0.484 378 G N 1.444 110.287 108.800 0.072 0.000 2.272 378 G HA2 -0.256 3.705 3.960 0.001 0.000 0.280 378 G HA3 -0.256 3.705 3.960 0.001 0.000 0.280 378 G C -0.247 174.672 174.900 0.031 0.000 1.067 378 G CA 0.147 45.277 45.100 0.049 0.000 0.902 378 G HN 0.249 nan 8.290 nan 0.000 0.500 379 L N -0.890 120.314 121.223 -0.031 0.000 2.323 379 L HA 0.911 5.252 4.340 0.001 0.000 0.265 379 L C 0.349 177.068 176.870 -0.252 0.000 1.012 379 L CA -0.881 53.918 54.840 -0.069 0.000 0.820 379 L CB 2.334 44.390 42.059 -0.005 0.000 1.334 379 L HN 0.402 nan 8.230 nan 0.000 0.427 380 A N 1.236 123.968 122.820 -0.147 0.000 2.343 380 A HA 0.800 5.121 4.320 0.001 0.000 0.308 380 A C -1.379 176.192 177.584 -0.020 0.000 1.092 380 A CA -0.334 51.591 52.037 -0.187 0.000 0.751 380 A CB 0.703 19.718 19.000 0.026 0.000 1.203 380 A HN 0.374 nan 8.150 nan 0.000 0.452 381 F N 1.300 121.268 119.950 0.030 0.000 2.415 381 F HA 0.492 5.020 4.527 0.001 0.000 0.348 381 F C 0.237 176.032 175.800 -0.008 0.000 1.119 381 F CA -0.529 57.563 58.000 0.153 0.000 1.069 381 F CB 1.183 40.331 39.000 0.247 0.000 1.124 381 F HN 0.538 nan 8.300 nan 0.000 0.472 382 H N 0.350 119.666 119.070 0.410 0.000 2.587 382 H HA 0.232 4.789 4.556 0.001 0.000 0.325 382 H C -0.570 174.856 175.328 0.163 0.000 1.012 382 H CA -0.759 55.442 56.048 0.254 0.000 1.213 382 H CB 0.673 30.514 29.762 0.131 0.000 1.431 382 H HN 0.508 nan 8.280 nan 0.000 0.492 383 H N 2.972 122.083 119.070 0.069 0.000 2.929 383 H HA 0.058 4.614 4.556 0.001 0.000 0.317 383 H C -0.285 174.920 175.328 -0.205 0.000 1.031 383 H CA -0.164 55.672 56.048 -0.353 0.000 1.466 383 H CB 0.642 30.214 29.762 -0.316 0.000 1.482 383 H HN 0.537 nan 8.280 nan 0.000 0.561 384 E N 5.316 125.207 120.200 -0.514 0.000 1.924 384 E HA 0.055 4.406 4.350 0.001 0.000 0.261 384 E C -0.131 176.073 176.600 -0.660 0.000 1.088 384 E CA -0.309 55.826 56.400 -0.442 0.000 0.909 384 E CB 0.005 29.551 29.700 -0.258 0.000 1.112 384 E HN 0.726 nan 8.360 nan 0.000 0.425 385 E N 0.399 120.134 120.200 -0.775 0.000 2.502 385 E HA 0.078 4.428 4.350 0.001 0.000 0.261 385 E C 0.907 177.359 176.600 -0.247 0.000 0.974 385 E CA 0.565 56.629 56.400 -0.561 0.000 0.936 385 E CB 0.337 29.852 29.700 -0.309 0.000 0.926 385 E HN 0.692 nan 8.360 nan 0.000 0.459 386 G N 2.107 110.825 108.800 -0.137 0.000 2.249 386 G HA2 -0.273 3.687 3.960 0.001 0.000 0.273 386 G HA3 -0.273 3.687 3.960 0.001 0.000 0.273 386 G C 0.226 175.091 174.900 -0.058 0.000 1.036 386 G CA 0.174 45.232 45.100 -0.070 0.000 0.824 386 G HN 0.715 nan 8.290 nan 0.000 0.504 387 A N -0.326 122.454 122.820 -0.067 0.000 2.322 387 A HA 0.786 5.107 4.320 0.001 0.000 0.269 387 A C 0.987 178.598 177.584 0.045 0.000 1.094 387 A CA 0.787 52.814 52.037 -0.017 0.000 0.807 387 A CB 0.826 19.802 19.000 -0.040 0.000 1.047 387 A HN 1.645 nan 8.150 nan 0.000 0.487 388 S N 0.113 115.881 115.700 0.113 0.000 2.537 388 S HA 0.487 4.958 4.470 0.001 0.000 0.286 388 S C 0.104 174.835 174.600 0.218 0.000 1.299 388 S CA 0.381 58.682 58.200 0.169 0.000 1.067 388 S CB -0.248 63.088 63.200 0.227 0.000 0.864 388 S HN 1.867 nan 8.310 nan 0.000 0.494 389 A N 4.194 127.043 122.820 0.049 0.000 2.594 389 A HA 0.593 4.914 4.320 0.001 0.000 0.291 389 A C -0.114 177.329 177.584 -0.235 0.000 1.105 389 A CA -0.700 51.165 52.037 -0.286 0.000 0.694 389 A CB 0.251 18.957 19.000 -0.490 0.000 1.291 389 A HN 1.172 nan 8.150 nan 0.000 0.410 390 W N -0.660 120.458 121.300 -0.303 0.000 2.937 390 W HA 0.424 5.085 4.660 0.001 0.000 0.245 390 W C 0.397 176.896 176.519 -0.034 0.000 1.306 390 W CA 1.047 58.273 57.345 -0.197 0.000 1.470 390 W CB -0.225 29.001 29.460 -0.390 0.000 1.132 390 W HN 0.867 nan 8.180 nan 0.000 0.675 391 H N -0.193 118.665 119.070 -0.353 0.000 3.079 391 H HA 0.101 4.657 4.556 0.001 0.000 0.356 391 H C 1.201 176.412 175.328 -0.195 0.000 1.221 391 H CA -0.402 55.539 56.048 -0.178 0.000 1.185 391 H CB 1.352 31.055 29.762 -0.097 0.000 1.882 391 H HN 0.075 nan 8.280 nan 0.000 0.543 392 E N 1.545 121.362 120.200 -0.637 0.000 2.204 392 E HA -0.189 4.162 4.350 0.001 0.000 0.195 392 E C 0.105 176.623 176.600 -0.137 0.000 0.990 392 E CA 1.514 57.708 56.400 -0.343 0.000 0.821 392 E CB 0.147 29.645 29.700 -0.337 0.000 0.750 392 E HN 0.515 nan 8.360 nan 0.000 0.477 393 D N 1.000 121.428 120.400 0.045 0.000 2.355 393 D HA 0.052 4.693 4.640 0.001 0.000 0.218 393 D C 0.148 176.514 176.300 0.110 0.000 1.004 393 D CA 0.178 54.306 54.000 0.213 0.000 0.880 393 D CB 0.442 41.515 40.800 0.455 0.000 0.911 393 D HN 0.027 nan 8.370 nan 0.000 0.528 394 V N 2.093 121.984 119.914 -0.038 0.000 2.614 394 V HA 0.154 4.274 4.120 0.001 0.000 0.291 394 V C 0.636 176.679 176.094 -0.085 0.000 1.049 394 V CA -0.154 62.046 62.300 -0.168 0.000 1.038 394 V CB 1.284 32.722 31.823 -0.643 0.000 0.980 394 V HN -0.050 nan 8.190 nan 0.000 0.481 395 R N 3.459 123.964 120.500 0.007 0.000 2.599 395 R HA 0.573 4.914 4.340 0.001 0.000 0.295 395 R C -1.135 175.149 176.300 -0.026 0.000 0.963 395 R CA -0.900 55.191 56.100 -0.015 0.000 0.883 395 R CB 2.005 32.265 30.300 -0.067 0.000 1.171 395 R HN 0.541 nan 8.270 nan 0.000 0.450 396 L N 3.018 124.130 121.223 -0.185 0.000 2.309 396 L HA 0.507 4.848 4.340 0.001 0.000 0.282 396 L C -1.477 175.077 176.870 -0.526 0.000 1.036 396 L CA -0.434 54.166 54.840 -0.401 0.000 0.806 396 L CB 0.843 42.649 42.059 -0.422 0.000 1.220 396 L HN 0.431 nan 8.230 nan 0.000 0.429 397 Y N 1.921 121.858 120.300 -0.604 0.000 2.462 397 Y HA 0.609 5.160 4.550 0.001 0.000 0.346 397 Y C 0.064 175.638 175.900 -0.543 0.000 0.976 397 Y CA -0.794 56.942 58.100 -0.605 0.000 1.044 397 Y CB 2.398 40.204 38.460 -1.090 0.000 1.230 397 Y HN 0.494 nan 8.280 nan 0.000 0.455 398 T N 2.444 116.987 114.554 -0.019 0.000 2.771 398 T HA 0.674 5.024 4.350 0.001 0.000 0.281 398 T C -0.395 174.489 174.700 0.307 0.000 0.982 398 T CA -0.682 61.461 62.100 0.071 0.000 0.978 398 T CB 0.795 69.695 68.868 0.054 0.000 0.930 398 T HN 0.718 nan 8.240 nan 0.000 0.447 399 A N 4.614 127.645 122.820 0.352 0.000 2.276 399 A HA 0.686 5.006 4.320 0.001 0.000 0.300 399 A C 0.234 178.031 177.584 0.355 0.000 1.235 399 A CA -0.584 51.789 52.037 0.560 0.000 0.867 399 A CB 0.360 19.724 19.000 0.608 0.000 1.137 399 A HN 0.818 nan 8.150 nan 0.000 0.527 400 R N 1.468 122.175 120.500 0.346 0.000 2.803 400 R HA 0.311 4.652 4.340 0.001 0.000 0.276 400 R C -0.848 175.555 176.300 0.173 0.000 0.978 400 R CA -0.922 55.305 56.100 0.212 0.000 0.939 400 R CB 1.629 32.027 30.300 0.163 0.000 1.179 400 R HN 0.855 nan 8.270 nan 0.000 0.472 401 D N 1.290 121.763 120.400 0.120 0.000 2.458 401 D HA -0.012 4.629 4.640 0.001 0.000 0.243 401 D C 0.713 177.065 176.300 0.087 0.000 1.146 401 D CA 0.214 54.270 54.000 0.094 0.000 0.877 401 D CB 1.475 42.320 40.800 0.074 0.000 1.176 401 D HN 0.646 nan 8.370 nan 0.000 0.461 402 A N 3.807 126.667 122.820 0.067 0.000 2.024 402 A HA -0.069 4.251 4.320 0.001 0.000 0.220 402 A C 1.875 179.492 177.584 0.055 0.000 1.164 402 A CA 1.969 54.039 52.037 0.055 0.000 0.643 402 A CB -0.139 18.875 19.000 0.024 0.000 0.806 402 A HN 0.658 nan 8.150 nan 0.000 0.451 403 A N -0.904 121.947 122.820 0.051 0.000 2.035 403 A HA 0.220 4.540 4.320 0.001 0.000 0.208 403 A C 2.246 179.855 177.584 0.043 0.000 1.206 403 A CA 1.382 53.446 52.037 0.044 0.000 0.773 403 A CB -0.320 18.703 19.000 0.039 0.000 0.878 403 A HN 0.868 nan 8.150 nan 0.000 0.469 404 S N -2.264 113.463 115.700 0.045 0.000 2.492 404 S HA 0.387 4.857 4.470 0.001 0.000 0.218 404 S C 1.548 176.169 174.600 0.036 0.000 1.016 404 S CA 1.252 59.474 58.200 0.037 0.000 0.916 404 S CB 0.036 63.258 63.200 0.036 0.000 0.791 404 S HN 1.847 nan 8.310 nan 0.000 0.513 405 G N 1.215 110.044 108.800 0.048 0.000 2.184 405 G HA2 -0.218 3.743 3.960 0.001 0.000 0.264 405 G HA3 -0.218 3.743 3.960 0.001 0.000 0.264 405 G C -0.200 174.714 174.900 0.023 0.000 0.975 405 G CA 0.251 45.373 45.100 0.038 0.000 0.642 405 G HN 0.531 nan 8.290 nan 0.000 0.536 406 E N 0.326 120.547 120.200 0.035 0.000 2.360 406 E HA 0.355 4.706 4.350 0.001 0.000 0.269 406 E C 0.963 177.592 176.600 0.048 0.000 1.022 406 E CA -0.351 56.068 56.400 0.032 0.000 0.887 406 E CB 1.534 31.254 29.700 0.034 0.000 0.990 406 E HN 0.188 nan 8.360 nan 0.000 0.426 407 V N 3.776 123.713 119.914 0.038 0.000 2.655 407 V HA -0.061 4.059 4.120 0.001 0.000 0.300 407 V C 1.397 177.536 176.094 0.074 0.000 1.044 407 V CA 0.164 62.499 62.300 0.058 0.000 1.095 407 V CB 1.065 32.910 31.823 0.036 0.000 0.952 407 V HN 0.538 nan 8.190 nan 0.000 0.485 408 V N 3.398 123.376 119.914 0.107 0.000 2.690 408 V HA 0.524 4.645 4.120 0.001 0.000 0.240 408 V C 0.965 177.120 176.094 0.102 0.000 1.078 408 V CA 1.401 63.766 62.300 0.108 0.000 1.102 408 V CB 0.397 32.304 31.823 0.141 0.000 0.800 408 V HN 1.052 nan 8.190 nan 0.000 0.479 409 G N -0.638 108.238 108.800 0.126 0.000 2.428 409 G HA2 0.524 4.485 3.960 0.001 0.000 0.304 409 G HA3 0.524 4.485 3.960 0.001 0.000 0.304 409 G C -1.848 173.126 174.900 0.124 0.000 1.303 409 G CA -0.663 44.503 45.100 0.110 0.000 0.825 409 G HN 0.080 nan 8.290 nan 0.000 0.484 410 K N -0.788 119.673 120.400 0.100 0.000 2.477 410 K HA 0.722 5.043 4.320 0.001 0.000 0.255 410 K C -1.584 175.071 176.600 0.091 0.000 0.952 410 K CA -0.738 55.562 56.287 0.023 0.000 0.826 410 K CB 2.642 35.104 32.500 -0.063 0.000 1.331 410 K HN 0.652 nan 8.250 nan 0.000 0.437 411 F N -0.974 118.928 119.950 -0.081 0.000 2.608 411 F HA 0.520 5.048 4.527 0.001 0.000 0.309 411 F C -1.627 174.167 175.800 -0.009 0.000 1.103 411 F CA -1.145 56.833 58.000 -0.038 0.000 0.954 411 F CB 0.676 39.608 39.000 -0.115 0.000 1.267 411 F HN 0.318 nan 8.300 nan 0.000 0.444 412 Y N 2.686 123.197 120.300 0.351 0.000 2.387 412 Y HA 0.711 5.261 4.550 0.001 0.000 0.330 412 Y C -0.368 175.765 175.900 0.388 0.000 1.133 412 Y CA -1.044 57.230 58.100 0.289 0.000 1.152 412 Y CB 1.859 40.484 38.460 0.275 0.000 1.215 412 Y HN 0.580 nan 8.280 nan 0.000 0.466 413 L N 3.233 124.743 121.223 0.478 0.000 2.325 413 L HA 0.362 4.703 4.340 0.001 0.000 0.281 413 L C -1.010 175.979 176.870 0.198 0.000 1.004 413 L CA -0.534 54.522 54.840 0.360 0.000 0.823 413 L CB 1.503 43.787 42.059 0.374 0.000 1.236 413 L HN 0.609 nan 8.230 nan 0.000 0.415 414 D N 4.181 124.675 120.400 0.156 0.000 2.404 414 D HA 0.289 4.930 4.640 0.001 0.000 0.267 414 D C 0.438 176.678 176.300 -0.100 0.000 1.194 414 D CA -0.284 53.758 54.000 0.071 0.000 0.910 414 D CB 1.031 42.009 40.800 0.298 0.000 1.090 414 D HN 0.387 nan 8.370 nan 0.000 0.511 415 L N 1.617 122.627 121.223 -0.354 0.000 2.477 415 L HA 0.209 4.550 4.340 0.001 0.000 0.220 415 L C 0.225 176.738 176.870 -0.596 0.000 1.106 415 L CA 0.213 54.703 54.840 -0.583 0.000 0.851 415 L CB -0.122 41.540 42.059 -0.662 0.000 0.994 415 L HN 0.243 nan 8.230 nan 0.000 0.462 416 Y N -0.297 119.991 120.300 -0.020 0.000 2.420 416 Y HA 0.438 4.989 4.550 0.001 0.000 0.334 416 Y C -2.206 173.656 175.900 -0.063 0.000 1.094 416 Y CA -3.117 54.971 58.100 -0.022 0.000 1.126 416 Y CB 0.465 38.941 38.460 0.026 0.000 1.217 416 Y HN -0.243 nan 8.280 nan 0.000 0.462 417 P HA 0.266 nan 4.420 nan 0.000 0.272 417 P C -1.110 176.188 177.300 -0.004 0.000 1.230 417 P CA -0.359 62.753 63.100 0.020 0.000 0.788 417 P CB 0.618 32.334 31.700 0.026 0.000 0.949 418 R N -0.763 119.709 120.500 -0.046 0.000 2.753 418 R HA 0.308 4.649 4.340 0.001 0.000 0.272 418 R C -1.177 175.084 176.300 -0.064 0.000 1.034 418 R CA -1.008 55.051 56.100 -0.067 0.000 0.869 418 R CB 0.600 30.805 30.300 -0.158 0.000 1.264 418 R HN 0.305 nan 8.270 nan 0.000 0.481 419 E N 0.566 120.738 120.200 -0.047 0.000 2.529 419 E HA 0.164 4.514 4.350 0.001 0.000 0.259 419 E C 0.734 177.300 176.600 -0.057 0.000 0.966 419 E CA 1.909 58.283 56.400 -0.043 0.000 0.937 419 E CB 0.254 29.938 29.700 -0.027 0.000 0.923 419 E HN 0.840 nan 8.360 nan 0.000 0.468 420 G N 4.069 112.833 108.800 -0.060 0.000 2.225 420 G HA2 -0.342 3.619 3.960 0.001 0.000 0.254 420 G HA3 -0.342 3.619 3.960 0.001 0.000 0.254 420 G C 0.274 175.122 174.900 -0.086 0.000 0.988 420 G CA 0.551 45.608 45.100 -0.073 0.000 0.625 420 G HN 0.581 nan 8.290 nan 0.000 0.527 421 K N 0.148 120.498 120.400 -0.082 0.000 2.174 421 K HA 0.479 4.799 4.320 0.001 0.000 0.275 421 K C 0.374 176.964 176.600 -0.017 0.000 1.015 421 K CA -0.988 55.255 56.287 -0.072 0.000 0.933 421 K CB 0.425 32.876 32.500 -0.082 0.000 1.025 421 K HN 0.133 nan 8.250 nan 0.000 0.463 422 Y N 2.732 122.961 120.300 -0.119 0.000 2.944 422 Y HA -0.054 4.497 4.550 0.001 0.000 0.340 422 Y C 1.097 176.933 175.900 -0.108 0.000 1.275 422 Y CA 1.403 59.452 58.100 -0.085 0.000 1.590 422 Y CB 0.571 39.026 38.460 -0.008 0.000 1.218 422 Y HN 0.854 nan 8.280 nan 0.000 0.576 423 G N 4.974 113.469 108.800 -0.508 0.000 3.088 423 G HA2 0.025 3.986 3.960 0.001 0.000 0.212 423 G HA3 0.025 3.986 3.960 0.001 0.000 0.212 423 G C -0.290 174.459 174.900 -0.251 0.000 1.173 423 G CA -0.095 44.781 45.100 -0.374 0.000 0.779 423 G HN 0.800 nan 8.290 nan 0.000 0.540 424 H N -1.406 117.371 119.070 -0.488 0.000 2.797 424 H HA 0.586 5.143 4.556 0.001 0.000 0.372 424 H C -0.205 175.113 175.328 -0.017 0.000 1.168 424 H CA -1.102 54.782 56.048 -0.273 0.000 1.163 424 H CB 1.955 31.519 29.762 -0.329 0.000 1.778 424 H HN 0.145 nan 8.280 nan 0.000 0.551 425 A N 1.363 124.250 122.820 0.112 0.000 2.462 425 A HA 0.614 4.934 4.320 0.001 0.000 0.243 425 A C -0.190 177.507 177.584 0.188 0.000 1.076 425 A CA 0.514 52.604 52.037 0.088 0.000 0.773 425 A CB -0.163 18.848 19.000 0.018 0.000 1.010 425 A HN 0.793 nan 8.150 nan 0.000 0.493 426 A N 0.386 123.298 122.820 0.153 0.000 2.586 426 A HA 0.566 4.886 4.320 0.001 0.000 0.291 426 A C -0.901 176.618 177.584 -0.109 0.000 1.062 426 A CA 0.086 52.107 52.037 -0.027 0.000 0.666 426 A CB 0.545 19.413 19.000 -0.220 0.000 1.281 426 A HN 2.064 nan 8.150 nan 0.000 0.421 427 C N 0.833 119.941 119.300 -0.320 0.000 2.319 427 C HA 0.859 5.320 4.460 0.001 0.000 0.323 427 C C -1.502 173.203 174.990 -0.476 0.000 1.277 427 C CA -0.816 58.065 59.018 -0.229 0.000 1.517 427 C CB -1.060 26.594 27.740 -0.143 0.000 2.206 427 C HN 0.532 nan 8.230 nan 0.000 0.486 428 F N 4.355 124.213 119.950 -0.153 0.000 2.402 428 F HA 0.521 5.049 4.527 0.001 0.000 0.355 428 F C 1.054 176.707 175.800 -0.244 0.000 1.123 428 F CA -0.185 57.678 58.000 -0.229 0.000 1.021 428 F CB 1.476 40.302 39.000 -0.291 0.000 1.160 428 F HN 0.818 nan 8.300 nan 0.000 0.451 429 G N 4.060 112.815 108.800 -0.074 0.000 2.358 429 G HA2 0.416 4.376 3.960 0.001 0.000 0.273 429 G HA3 0.416 4.376 3.960 0.001 0.000 0.273 429 G C 0.451 175.307 174.900 -0.073 0.000 1.215 429 G CA -0.313 44.735 45.100 -0.087 0.000 0.910 429 G HN 0.758 nan 8.290 nan 0.000 0.467 430 L N 1.233 122.419 121.223 -0.061 0.000 2.356 430 L HA 0.294 4.635 4.340 0.001 0.000 0.193 430 L C 1.313 178.175 176.870 -0.013 0.000 1.087 430 L CA 0.371 55.177 54.840 -0.056 0.000 0.817 430 L CB -0.020 42.033 42.059 -0.010 0.000 1.035 430 L HN 0.474 nan 8.230 nan 0.000 0.482 431 Q N 2.177 121.987 119.800 0.017 0.000 2.333 431 Q HA 0.334 4.674 4.340 0.001 0.000 0.265 431 Q C -2.532 173.472 176.000 0.008 0.000 0.989 431 Q CA -2.182 53.628 55.803 0.012 0.000 0.842 431 Q CB 2.271 31.025 28.738 0.027 0.000 1.262 431 Q HN -0.067 nan 8.270 nan 0.000 0.451 432 P HA 0.122 nan 4.420 nan 0.000 0.280 432 P C -0.349 176.957 177.300 0.011 0.000 1.244 432 P CA -0.085 63.019 63.100 0.007 0.000 0.784 432 P CB 1.097 32.818 31.700 0.034 0.000 0.913 433 G N 2.350 111.158 108.800 0.012 0.000 2.351 433 G HA2 0.484 4.444 3.960 0.001 0.000 0.287 433 G HA3 0.484 4.444 3.960 0.001 0.000 0.287 433 G C 0.254 175.168 174.900 0.024 0.000 1.159 433 G CA -0.183 44.929 45.100 0.020 0.000 0.929 433 G HN 0.880 nan 8.290 nan 0.000 0.435 434 C N 1.272 120.575 119.300 0.005 0.000 3.253 434 C HA 0.673 5.133 4.460 0.001 0.000 0.361 434 C C -0.619 174.341 174.990 -0.049 0.000 1.498 434 C CA -1.400 57.608 59.018 -0.016 0.000 1.163 434 C CB 0.336 28.057 27.740 -0.033 0.000 1.687 434 C HN 0.613 nan 8.230 nan 0.000 0.430 435 L N 1.701 122.860 121.223 -0.106 0.000 2.325 435 L HA 0.582 4.923 4.340 0.001 0.000 0.279 435 L C 0.666 177.459 176.870 -0.128 0.000 1.054 435 L CA -0.401 54.369 54.840 -0.115 0.000 0.804 435 L CB 0.931 42.899 42.059 -0.152 0.000 1.200 435 L HN 0.709 nan 8.230 nan 0.000 0.436 436 R N 0.722 121.169 120.500 -0.089 0.000 2.574 436 R HA 0.096 4.436 4.340 0.001 0.000 0.266 436 R C 0.893 177.138 176.300 -0.091 0.000 1.157 436 R CA -0.544 55.509 56.100 -0.079 0.000 1.187 436 R CB 0.470 30.739 30.300 -0.051 0.000 1.179 436 R HN 0.589 nan 8.270 nan 0.000 0.600 437 Q N 1.030 120.785 119.800 -0.075 0.000 2.181 437 Q HA -0.205 4.135 4.340 0.001 0.000 0.205 437 Q C 0.907 176.874 176.000 -0.055 0.000 0.980 437 Q CA 2.059 57.819 55.803 -0.071 0.000 0.862 437 Q CB 0.024 28.732 28.738 -0.051 0.000 0.905 437 Q HN 0.631 nan 8.270 nan 0.000 0.429 438 D N -2.262 118.111 120.400 -0.044 0.000 2.340 438 D HA 0.016 4.657 4.640 0.001 0.000 0.220 438 D C 1.084 177.364 176.300 -0.034 0.000 1.039 438 D CA 0.954 54.934 54.000 -0.033 0.000 0.866 438 D CB 0.364 41.149 40.800 -0.025 0.000 0.913 438 D HN 0.448 nan 8.370 nan 0.000 0.523 439 G N 0.641 109.411 108.800 -0.049 0.000 2.217 439 G HA2 -0.300 3.661 3.960 0.001 0.000 0.246 439 G HA3 -0.300 3.661 3.960 0.001 0.000 0.246 439 G C 0.429 175.306 174.900 -0.039 0.000 0.990 439 G CA 0.403 45.475 45.100 -0.047 0.000 0.627 439 G HN 0.775 nan 8.290 nan 0.000 0.522 440 S N -0.194 115.486 115.700 -0.034 0.000 2.603 440 S HA 0.618 5.088 4.470 0.001 0.000 0.268 440 S C 0.296 174.879 174.600 -0.028 0.000 1.317 440 S CA 0.083 58.269 58.200 -0.024 0.000 1.012 440 S CB 1.898 65.087 63.200 -0.019 0.000 0.926 440 S HN 0.767 nan 8.310 nan 0.000 0.539 441 R N 0.939 121.429 120.500 -0.017 0.000 2.297 441 R HA 0.238 4.578 4.340 0.001 0.000 0.308 441 R C -0.260 176.034 176.300 -0.009 0.000 1.029 441 R CA -0.401 55.691 56.100 -0.013 0.000 0.929 441 R CB 0.672 30.972 30.300 0.000 0.000 1.046 441 R HN 0.848 nan 8.270 nan 0.000 0.461 442 Q N 5.871 125.664 119.800 -0.012 0.000 2.303 442 Q HA 0.244 4.584 4.340 0.001 0.000 0.257 442 Q C -0.157 175.848 176.000 0.007 0.000 0.941 442 Q CA -0.746 55.053 55.803 -0.006 0.000 0.931 442 Q CB 0.924 29.654 28.738 -0.014 0.000 1.215 442 Q HN 0.697 nan 8.270 nan 0.000 0.437 443 I N 0.621 121.201 120.570 0.016 0.000 2.779 443 I HA 0.519 4.689 4.170 0.001 0.000 0.285 443 I C -0.081 176.055 176.117 0.032 0.000 1.134 443 I CA -0.628 60.689 61.300 0.029 0.000 1.398 443 I CB 0.917 38.938 38.000 0.037 0.000 1.404 443 I HN 0.602 nan 8.210 nan 0.000 0.587 444 A N 6.844 129.686 122.820 0.038 0.000 2.340 444 A HA 0.741 5.061 4.320 0.001 0.000 0.268 444 A C -0.276 177.342 177.584 0.058 0.000 1.100 444 A CA -0.476 51.581 52.037 0.034 0.000 0.803 444 A CB 0.277 19.288 19.000 0.019 0.000 1.043 444 A HN 0.731 nan 8.150 nan 0.000 0.488 445 I N 1.063 121.674 120.570 0.069 0.000 2.534 445 I HA 0.583 4.753 4.170 0.001 0.000 0.288 445 I C 0.169 176.367 176.117 0.135 0.000 1.077 445 I CA -0.215 61.162 61.300 0.128 0.000 1.051 445 I CB 1.985 40.091 38.000 0.177 0.000 1.234 445 I HN 0.772 nan 8.210 nan 0.000 0.425 446 A N 4.590 127.514 122.820 0.173 0.000 2.485 446 A HA 1.007 5.327 4.320 0.001 0.000 0.292 446 A C -1.324 176.426 177.584 0.276 0.000 1.147 446 A CA -0.681 51.434 52.037 0.129 0.000 0.750 446 A CB 2.012 21.024 19.000 0.019 0.000 1.331 446 A HN 0.791 nan 8.150 nan 0.000 0.419 447 A N 0.732 123.671 122.820 0.199 0.000 2.374 447 A HA 0.700 5.021 4.320 0.001 0.000 0.305 447 A C -0.686 177.083 177.584 0.308 0.000 1.053 447 A CA -0.283 51.964 52.037 0.350 0.000 0.726 447 A CB 1.111 20.264 19.000 0.256 0.000 1.229 447 A HN 1.027 nan 8.150 nan 0.000 0.431 448 M N 3.604 123.397 119.600 0.320 0.000 2.205 448 M HA 0.554 5.035 4.480 0.001 0.000 0.344 448 M C -1.627 174.826 176.300 0.255 0.000 1.085 448 M CA -0.488 54.953 55.300 0.236 0.000 1.001 448 M CB 1.150 33.858 32.600 0.180 0.000 1.626 448 M HN 0.441 nan 8.290 nan 0.000 0.442 449 V N 4.278 124.339 119.914 0.245 0.000 2.513 449 V HA 0.926 5.046 4.120 0.001 0.000 0.299 449 V C -0.252 175.848 176.094 0.009 0.000 1.035 449 V CA -0.440 61.969 62.300 0.182 0.000 0.889 449 V CB 1.503 33.524 31.823 0.329 0.000 0.988 449 V HN 0.998 nan 8.190 nan 0.000 0.440 450 A N 3.725 126.427 122.820 -0.196 0.000 2.593 450 A HA 0.762 5.083 4.320 0.001 0.000 0.290 450 A C -0.744 176.519 177.584 -0.534 0.000 1.126 450 A CA -0.670 51.040 52.037 -0.544 0.000 0.695 450 A CB 1.747 20.071 19.000 -1.127 0.000 1.290 450 A HN 0.661 nan 8.150 nan 0.000 0.414 451 N N 0.783 119.090 118.700 -0.654 0.000 2.723 451 N HA 0.305 5.046 4.740 0.001 0.000 0.290 451 N C -1.668 173.726 175.510 -0.193 0.000 1.882 451 N CA 0.137 53.000 53.050 -0.311 0.000 0.851 451 N CB 0.370 38.772 38.487 -0.142 0.000 1.234 451 N HN 0.442 nan 8.380 nan 0.000 0.491 452 F N 0.774 120.752 119.950 0.047 0.000 2.384 452 F HA 0.263 4.791 4.527 0.001 0.000 0.338 452 F C 1.660 177.586 175.800 0.211 0.000 1.103 452 F CA -0.602 57.457 58.000 0.099 0.000 1.157 452 F CB 0.360 39.408 39.000 0.080 0.000 1.167 452 F HN -0.144 nan 8.300 nan 0.000 0.529 453 T N 2.840 117.579 114.554 0.308 0.000 2.933 453 T HA -0.037 4.313 4.350 0.001 0.000 0.306 453 T C 0.244 175.016 174.700 0.120 0.000 1.045 453 T CA -0.116 62.084 62.100 0.168 0.000 1.143 453 T CB 0.086 69.005 68.868 0.085 0.000 1.003 453 T HN 0.453 nan 8.240 nan 0.000 0.540 454 K N 4.231 124.582 120.400 -0.082 0.000 2.276 454 K HA 0.229 4.550 4.320 0.001 0.000 0.283 454 K C -2.432 173.994 176.600 -0.290 0.000 1.044 454 K CA -1.893 54.077 56.287 -0.528 0.000 0.944 454 K CB 0.334 32.436 32.500 -0.664 0.000 1.012 454 K HN 0.238 nan 8.250 nan 0.000 0.472 455 P HA -0.019 nan 4.420 nan 0.000 0.267 455 P C -0.908 176.318 177.300 -0.124 0.000 1.200 455 P CA 0.025 63.044 63.100 -0.134 0.000 0.772 455 P CB 0.876 32.525 31.700 -0.085 0.000 0.855 456 T N -1.817 112.691 114.554 -0.077 0.000 2.804 456 T HA 0.657 5.008 4.350 0.001 0.000 0.290 456 T C 1.050 175.731 174.700 -0.030 0.000 1.099 456 T CA -0.209 61.858 62.100 -0.056 0.000 1.011 456 T CB 0.943 69.782 68.868 -0.049 0.000 1.291 456 T HN 0.207 nan 8.240 nan 0.000 0.523 457 A N 1.149 123.957 122.820 -0.019 0.000 1.906 457 A HA -0.195 4.125 4.320 0.001 0.000 0.236 457 A C 1.300 178.886 177.584 0.004 0.000 1.793 457 A CA 2.445 54.479 52.037 -0.006 0.000 0.813 457 A CB -1.341 17.657 19.000 -0.003 0.000 0.841 457 A HN 0.917 nan 8.150 nan 0.000 0.491 458 D N -1.028 119.374 120.400 0.004 0.000 2.788 458 D HA 0.498 5.138 4.640 0.001 0.000 0.289 458 D C -0.424 175.879 176.300 0.005 0.000 1.340 458 D CA 0.784 54.795 54.000 0.018 0.000 0.831 458 D CB 0.433 41.247 40.800 0.024 0.000 1.103 458 D HN 0.461 nan 8.370 nan 0.000 0.476 459 A N 1.762 124.569 122.820 -0.021 0.000 2.943 459 A HA 0.495 4.815 4.320 0.001 0.000 0.327 459 A C -2.673 174.857 177.584 -0.090 0.000 1.141 459 A CA -1.073 50.931 52.037 -0.054 0.000 0.773 459 A CB 0.826 19.802 19.000 -0.041 0.000 1.143 459 A HN -0.130 nan 8.150 nan 0.000 0.463 460 P HA 0.084 nan 4.420 nan 0.000 0.269 460 P C 0.240 177.435 177.300 -0.175 0.000 1.217 460 P CA 0.232 63.224 63.100 -0.180 0.000 0.783 460 P CB 0.701 32.184 31.700 -0.361 0.000 0.898 461 S N 1.722 117.357 115.700 -0.110 0.000 2.434 461 S HA 0.373 4.843 4.470 0.001 0.000 0.318 461 S C -0.543 174.021 174.600 -0.061 0.000 1.062 461 S CA -0.649 57.517 58.200 -0.056 0.000 1.116 461 S CB -0.991 62.220 63.200 0.018 0.000 0.977 461 S HN 0.197 nan 8.310 nan 0.000 0.480 462 L N 4.961 126.130 121.223 -0.090 0.000 2.275 462 L HA 0.499 4.839 4.340 0.001 0.000 0.288 462 L C -0.657 176.207 176.870 -0.009 0.000 1.046 462 L CA -1.037 53.767 54.840 -0.061 0.000 0.805 462 L CB 1.044 43.035 42.059 -0.114 0.000 1.193 462 L HN 0.382 nan 8.230 nan 0.000 0.426 463 L N 3.529 124.760 121.223 0.014 0.000 2.312 463 L HA 0.291 4.632 4.340 0.001 0.000 0.281 463 L C 0.443 177.281 176.870 -0.052 0.000 1.070 463 L CA -0.046 54.764 54.840 -0.049 0.000 0.805 463 L CB 1.053 43.019 42.059 -0.155 0.000 1.174 463 L HN 0.512 nan 8.230 nan 0.000 0.434 464 Q N 1.908 121.672 119.800 -0.061 0.000 2.443 464 Q HA 0.011 4.352 4.340 0.001 0.000 0.232 464 Q C 1.137 177.036 176.000 -0.168 0.000 1.026 464 Q CA -0.043 55.721 55.803 -0.065 0.000 0.924 464 Q CB 0.452 29.178 28.738 -0.020 0.000 1.256 464 Q HN 0.593 nan 8.270 nan 0.000 0.519 465 H N 1.284 120.178 119.070 -0.294 0.000 2.421 465 H HA -0.174 4.382 4.556 0.001 0.000 0.298 465 H C 1.002 176.144 175.328 -0.309 0.000 1.087 465 H CA 1.974 57.758 56.048 -0.441 0.000 1.330 465 H CB 0.439 29.933 29.762 -0.448 0.000 1.388 465 H HN 0.729 nan 8.280 nan 0.000 0.526 466 D N 0.121 120.406 120.400 -0.192 0.000 2.178 466 D HA -0.123 4.518 4.640 0.001 0.000 0.201 466 D C 2.000 178.227 176.300 -0.121 0.000 0.980 466 D CA 1.183 55.090 54.000 -0.155 0.000 0.842 466 D CB 0.084 40.864 40.800 -0.034 0.000 0.948 466 D HN 0.564 nan 8.370 nan 0.000 0.472 467 E N -0.592 119.556 120.200 -0.087 0.000 2.107 467 E HA -0.083 4.267 4.350 0.001 0.000 0.191 467 E C 2.266 178.852 176.600 -0.023 0.000 0.982 467 E CA 0.534 56.957 56.400 0.039 0.000 0.809 467 E CB 0.231 29.945 29.700 0.024 0.000 0.756 467 E HN 0.186 nan 8.360 nan 0.000 0.459 468 V N 1.418 121.208 119.914 -0.205 0.000 2.343 468 V HA -0.254 3.866 4.120 0.001 0.000 0.247 468 V C 2.428 178.460 176.094 -0.104 0.000 1.051 468 V CA 1.847 64.044 62.300 -0.171 0.000 1.036 468 V CB -0.479 31.112 31.823 -0.387 0.000 0.654 468 V HN 0.188 nan 8.190 nan 0.000 0.451 469 R N -0.071 120.251 120.500 -0.297 0.000 2.073 469 R HA -0.167 4.173 4.340 0.001 0.000 0.234 469 R C 2.391 178.749 176.300 0.098 0.000 1.134 469 R CA 2.151 58.138 56.100 -0.187 0.000 0.952 469 R CB -0.514 29.608 30.300 -0.296 0.000 0.850 469 R HN 0.505 nan 8.270 nan 0.000 0.433 470 T N 0.387 115.006 114.554 0.108 0.000 2.746 470 T HA -0.183 4.167 4.350 0.001 0.000 0.267 470 T C 1.330 176.246 174.700 0.360 0.000 1.039 470 T CA 1.314 63.524 62.100 0.183 0.000 1.142 470 T CB -0.442 68.516 68.868 0.149 0.000 0.866 470 T HN 0.282 nan 8.240 nan 0.000 0.444 471 Y N 0.872 121.331 120.300 0.265 0.000 2.114 471 Y HA -0.078 4.472 4.550 0.001 0.000 0.284 471 Y C 2.047 178.089 175.900 0.237 0.000 1.143 471 Y CA 0.361 58.643 58.100 0.304 0.000 1.135 471 Y CB -1.065 37.537 38.460 0.237 0.000 0.980 471 Y HN 0.230 nan 8.280 nan 0.000 0.499 472 F N -0.098 119.992 119.950 0.233 0.000 2.134 472 F HA -0.226 4.302 4.527 0.001 0.000 0.299 472 F C 2.801 178.734 175.800 0.220 0.000 1.097 472 F CA 2.204 60.298 58.000 0.157 0.000 1.264 472 F CB -0.679 38.346 39.000 0.043 0.000 1.001 472 F HN 0.291 nan 8.300 nan 0.000 0.479 473 H N -0.318 118.918 119.070 0.276 0.000 2.290 473 H HA -0.150 4.406 4.556 0.001 0.000 0.298 473 H C 2.202 177.542 175.328 0.020 0.000 1.087 473 H CA 2.145 58.272 56.048 0.132 0.000 1.291 473 H CB -0.049 29.793 29.762 0.132 0.000 1.369 473 H HN 0.099 nan 8.280 nan 0.000 0.492 474 E N -0.001 120.427 120.200 0.380 0.000 2.110 474 E HA -0.175 4.176 4.350 0.001 0.000 0.193 474 E C 2.092 178.732 176.600 0.067 0.000 0.988 474 E CA 0.707 57.286 56.400 0.300 0.000 0.804 474 E CB -0.504 29.371 29.700 0.291 0.000 0.745 474 E HN 0.507 nan 8.360 nan 0.000 0.458 475 F N 1.536 121.404 119.950 -0.138 0.000 2.269 475 F HA -0.050 4.477 4.527 0.001 0.000 0.301 475 F C 2.161 177.577 175.800 -0.639 0.000 1.082 475 F CA 1.385 59.104 58.000 -0.468 0.000 1.360 475 F CB -0.277 38.278 39.000 -0.741 0.000 1.041 475 F HN 0.019 nan 8.300 nan 0.000 0.512 476 G N -0.765 107.802 108.800 -0.389 0.000 2.440 476 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 476 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 476 G C 1.565 176.275 174.900 -0.317 0.000 1.154 476 G CA 1.032 45.940 45.100 -0.319 0.000 0.767 476 G HN 0.409 nan 8.290 nan 0.000 0.552 477 H N 0.009 118.946 119.070 -0.222 0.000 2.389 477 H HA -0.006 4.551 4.556 0.001 0.000 0.299 477 H C 2.853 178.029 175.328 -0.254 0.000 1.081 477 H CA 1.145 57.095 56.048 -0.164 0.000 1.345 477 H CB -0.415 29.268 29.762 -0.132 0.000 1.393 477 H HN 0.202 nan 8.280 nan 0.000 0.520 478 V N 1.074 120.786 119.914 -0.336 0.000 2.343 478 V HA -0.257 3.863 4.120 0.001 0.000 0.247 478 V C 2.588 178.379 176.094 -0.504 0.000 1.051 478 V CA 1.365 63.355 62.300 -0.517 0.000 1.036 478 V CB -0.383 30.845 31.823 -0.992 0.000 0.654 478 V HN 0.312 nan 8.190 nan 0.000 0.451 479 M N -0.986 118.262 119.600 -0.587 0.000 2.229 479 M HA -0.136 4.345 4.480 0.001 0.000 0.264 479 M C 2.100 178.352 176.300 -0.080 0.000 1.063 479 M CA 1.652 56.756 55.300 -0.326 0.000 1.114 479 M CB -1.404 31.051 32.600 -0.241 0.000 1.387 479 M HN 0.551 nan 8.290 nan 0.000 0.420 480 H N -0.122 118.849 119.070 -0.165 0.000 2.357 480 H HA -0.119 4.438 4.556 0.001 0.000 0.301 480 H C 2.073 177.348 175.328 -0.088 0.000 1.082 480 H CA 0.959 56.947 56.048 -0.100 0.000 1.342 480 H CB 0.516 30.243 29.762 -0.058 0.000 1.389 480 H HN 0.283 nan 8.280 nan 0.000 0.511 481 Q N 0.503 120.286 119.800 -0.029 0.000 2.061 481 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 481 Q C 2.618 178.595 176.000 -0.040 0.000 0.984 481 Q CA 1.213 56.957 55.803 -0.099 0.000 0.846 481 Q CB -0.154 28.509 28.738 -0.124 0.000 0.902 481 Q HN 0.568 nan 8.270 nan 0.000 0.421 482 L N -0.735 120.465 121.223 -0.037 0.000 2.109 482 L HA -0.111 4.230 4.340 0.001 0.000 0.207 482 L C 2.448 179.345 176.870 0.044 0.000 1.086 482 L CA 0.676 55.523 54.840 0.011 0.000 0.760 482 L CB -0.408 41.661 42.059 0.017 0.000 0.910 482 L HN 0.226 nan 8.230 nan 0.000 0.437 483 C N -0.092 119.236 119.300 0.046 0.000 2.539 483 C HA 0.028 4.489 4.460 0.001 0.000 0.268 483 C C 1.850 176.879 174.990 0.065 0.000 1.395 483 C CA -0.410 58.643 59.018 0.059 0.000 1.757 483 C CB -0.967 26.799 27.740 0.044 0.000 1.851 483 C HN 0.522 nan 8.230 nan 0.000 0.545 484 S N 1.102 116.853 115.700 0.085 0.000 2.572 484 S HA 0.193 4.663 4.470 0.001 0.000 0.279 484 S C 0.006 174.650 174.600 0.073 0.000 1.341 484 S CA 0.235 58.493 58.200 0.096 0.000 1.043 484 S CB 0.546 63.802 63.200 0.094 0.000 0.887 484 S HN 0.496 nan 8.310 nan 0.000 0.516 485 Q N 0.393 120.241 119.800 0.080 0.000 2.144 485 Q HA 0.361 4.701 4.340 0.001 0.000 0.305 485 Q C 0.029 176.086 176.000 0.095 0.000 0.876 485 Q CA -0.275 55.572 55.803 0.074 0.000 1.130 485 Q CB 0.916 29.692 28.738 0.063 0.000 1.267 485 Q HN 0.881 nan 8.270 nan 0.000 0.433 486 A N 0.520 123.415 122.820 0.124 0.000 2.448 486 A HA 0.116 4.436 4.320 0.001 0.000 0.239 486 A C 0.968 178.644 177.584 0.154 0.000 1.080 486 A CA 0.167 52.317 52.037 0.188 0.000 0.779 486 A CB 0.553 19.712 19.000 0.265 0.000 1.026 486 A HN 0.304 nan 8.150 nan 0.000 0.499 487 E N -0.130 120.193 120.200 0.205 0.000 2.307 487 E HA 0.097 4.448 4.350 0.001 0.000 0.195 487 E C -0.866 175.676 176.600 -0.098 0.000 0.975 487 E CA 0.282 56.715 56.400 0.055 0.000 0.878 487 E CB 0.191 29.925 29.700 0.057 0.000 0.845 487 E HN 0.630 nan 8.360 nan 0.000 0.488 488 F N 0.416 120.347 119.950 -0.032 0.000 2.408 488 F HA 0.313 4.840 4.527 0.001 0.000 0.344 488 F C 1.197 176.894 175.800 -0.173 0.000 1.112 488 F CA -0.538 57.326 58.000 -0.226 0.000 1.096 488 F CB 1.321 40.032 39.000 -0.482 0.000 1.129 488 F HN -0.107 nan 8.300 nan 0.000 0.486 489 A N 4.221 127.018 122.820 -0.038 0.000 1.986 489 A HA -0.244 4.076 4.320 0.001 0.000 0.220 489 A C 2.210 179.826 177.584 0.054 0.000 1.171 489 A CA 1.870 53.921 52.037 0.023 0.000 0.640 489 A CB -0.764 18.244 19.000 0.013 0.000 0.811 489 A HN 0.916 nan 8.150 nan 0.000 0.451 490 M N -1.524 118.015 119.600 -0.102 0.000 2.279 490 M HA -0.063 4.418 4.480 0.001 0.000 0.264 490 M C 0.794 177.061 176.300 -0.056 0.000 1.062 490 M CA 1.632 56.808 55.300 -0.207 0.000 1.099 490 M CB -0.159 32.218 32.600 -0.373 0.000 1.394 490 M HN 0.467 nan 8.290 nan 0.000 0.426 491 F N -0.049 120.012 119.950 0.185 0.000 2.653 491 F HA 0.195 4.722 4.527 0.001 0.000 0.304 491 F C 1.237 177.139 175.800 0.170 0.000 1.092 491 F CA -0.928 57.175 58.000 0.171 0.000 1.279 491 F CB 0.115 39.198 39.000 0.138 0.000 1.044 491 F HN 0.101 nan 8.300 nan 0.000 0.564 492 S N 0.325 116.221 115.700 0.326 0.000 2.572 492 S HA 0.515 4.986 4.470 0.001 0.000 0.279 492 S C 1.117 175.715 174.600 -0.004 0.000 1.341 492 S CA -0.007 58.290 58.200 0.161 0.000 1.043 492 S CB 1.061 64.325 63.200 0.107 0.000 0.887 492 S HN 0.590 nan 8.310 nan 0.000 0.516 493 G N 2.522 111.273 108.800 -0.082 0.000 2.685 493 G HA2 -0.408 3.552 3.960 0.001 0.000 0.329 493 G HA3 -0.408 3.552 3.960 0.001 0.000 0.329 493 G C 0.895 175.467 174.900 -0.545 0.000 1.271 493 G CA 1.390 46.326 45.100 -0.274 0.000 1.003 493 G HN 2.103 nan 8.290 nan 0.000 0.549 494 T N -2.332 111.861 114.554 -0.601 0.000 3.317 494 T HA 0.221 4.571 4.350 0.001 0.000 0.250 494 T C 0.906 175.471 174.700 -0.224 0.000 1.106 494 T CA 1.172 62.945 62.100 -0.545 0.000 0.986 494 T CB -0.414 68.231 68.868 -0.373 0.000 1.010 494 T HN 0.690 nan 8.240 nan 0.000 0.560 495 H N 1.533 120.550 119.070 -0.088 0.000 2.970 495 H HA 0.426 4.982 4.556 0.001 0.000 0.226 495 H C 0.705 176.079 175.328 0.077 0.000 1.909 495 H CA -0.867 55.192 56.048 0.017 0.000 1.388 495 H CB -0.368 29.437 29.762 0.071 0.000 1.773 495 H HN 0.400 nan 8.280 nan 0.000 0.559 496 V N -1.639 118.388 119.914 0.188 0.000 3.229 496 V HA 0.382 4.503 4.120 0.001 0.000 0.310 496 V C 0.243 176.437 176.094 0.167 0.000 1.206 496 V CA -1.494 60.930 62.300 0.206 0.000 1.051 496 V CB 1.668 33.705 31.823 0.357 0.000 1.183 496 V HN 0.202 nan 8.190 nan 0.000 0.466 497 E N 1.270 121.568 120.200 0.164 0.000 2.502 497 E HA 0.136 4.486 4.350 0.001 0.000 0.261 497 E C 1.491 178.151 176.600 0.099 0.000 0.974 497 E CA 0.922 57.382 56.400 0.099 0.000 0.936 497 E CB 0.731 30.485 29.700 0.089 0.000 0.926 497 E HN 0.982 nan 8.360 nan 0.000 0.459 498 T N -0.515 114.036 114.554 -0.005 0.000 2.803 498 T HA -0.229 4.122 4.350 0.001 0.000 0.269 498 T C 0.985 175.645 174.700 -0.067 0.000 1.052 498 T CA 1.371 63.437 62.100 -0.056 0.000 1.136 498 T CB -0.146 68.635 68.868 -0.145 0.000 0.864 498 T HN 0.552 nan 8.240 nan 0.000 0.467 499 D N -0.623 119.733 120.400 -0.075 0.000 2.319 499 D HA 0.097 4.738 4.640 0.001 0.000 0.230 499 D C 0.970 177.415 176.300 0.241 0.000 1.094 499 D CA -0.461 53.480 54.000 -0.097 0.000 0.856 499 D CB -0.512 40.037 40.800 -0.418 0.000 0.915 499 D HN 0.573 nan 8.370 nan 0.000 0.517 500 F N -0.378 119.639 119.950 0.112 0.000 2.819 500 F HA 0.183 4.710 4.527 0.001 0.000 0.325 500 F C 1.680 177.591 175.800 0.186 0.000 1.041 500 F CA -0.227 57.894 58.000 0.202 0.000 1.184 500 F CB 0.375 39.490 39.000 0.193 0.000 1.019 500 F HN -0.128 nan 8.300 nan 0.000 0.590 501 V N 1.098 121.068 119.914 0.092 0.000 2.453 501 V HA -0.222 3.898 4.120 0.001 0.000 0.252 501 V C 1.897 178.031 176.094 0.067 0.000 1.068 501 V CA 2.480 64.821 62.300 0.068 0.000 1.070 501 V CB -0.209 31.665 31.823 0.085 0.000 0.664 501 V HN 0.314 nan 8.190 nan 0.000 0.461 502 E N -0.177 120.063 120.200 0.066 0.000 2.385 502 E HA 0.108 4.459 4.350 0.001 0.000 0.194 502 E C 2.213 178.805 176.600 -0.012 0.000 1.013 502 E CA 0.989 57.471 56.400 0.137 0.000 0.866 502 E CB -0.345 29.500 29.700 0.241 0.000 0.832 502 E HN 0.681 nan 8.360 nan 0.000 0.500 503 A N 2.202 124.926 122.820 -0.159 0.000 1.883 503 A HA -0.140 4.181 4.320 0.001 0.000 0.217 503 A C -0.262 177.239 177.584 -0.140 0.000 1.186 503 A CA 1.423 53.368 52.037 -0.153 0.000 0.624 503 A CB -1.484 17.348 19.000 -0.279 0.000 0.822 503 A HN 0.170 nan 8.150 nan 0.000 0.444 504 P HA -0.070 nan 4.420 nan 0.000 0.216 504 P C 1.716 178.950 177.300 -0.110 0.000 1.153 504 P CA 1.738 64.785 63.100 -0.088 0.000 0.848 504 P CB -0.069 31.525 31.700 -0.175 0.000 0.787 505 S N -0.790 114.720 115.700 -0.317 0.000 2.387 505 S HA -0.153 4.317 4.470 0.001 0.000 0.226 505 S C 1.926 176.382 174.600 -0.240 0.000 1.026 505 S CA 1.072 58.950 58.200 -0.536 0.000 0.972 505 S CB -0.720 61.609 63.200 -1.451 0.000 0.814 505 S HN 0.301 nan 8.310 nan 0.000 0.477 506 Q N 0.387 120.154 119.800 -0.055 0.000 2.167 506 Q HA 0.008 4.348 4.340 0.001 0.000 0.202 506 Q C 2.192 178.279 176.000 0.145 0.000 0.970 506 Q CA 0.922 56.815 55.803 0.150 0.000 0.855 506 Q CB -0.220 28.636 28.738 0.197 0.000 0.911 506 Q HN 0.536 nan 8.270 nan 0.000 0.438 507 M N 0.490 120.167 119.600 0.129 0.000 2.086 507 M HA -0.183 4.298 4.480 0.001 0.000 0.261 507 M C 1.758 178.169 176.300 0.185 0.000 1.067 507 M CA 1.503 56.927 55.300 0.206 0.000 1.116 507 M CB 0.014 32.770 32.600 0.260 0.000 1.348 507 M HN 0.233 nan 8.290 nan 0.000 0.407 508 L N 0.140 121.410 121.223 0.079 0.000 2.265 508 L HA -0.181 4.159 4.340 0.001 0.000 0.215 508 L C 2.123 179.143 176.870 0.251 0.000 1.117 508 L CA 1.086 55.959 54.840 0.056 0.000 0.782 508 L CB -0.604 41.428 42.059 -0.045 0.000 0.914 508 L HN 0.381 nan 8.230 nan 0.000 0.441 509 E N -0.039 120.281 120.200 0.200 0.000 2.204 509 E HA -0.197 4.153 4.350 0.001 0.000 0.195 509 E C 1.686 178.332 176.600 0.076 0.000 0.990 509 E CA 0.602 57.100 56.400 0.164 0.000 0.821 509 E CB -0.153 29.697 29.700 0.250 0.000 0.750 509 E HN 0.519 nan 8.360 nan 0.000 0.477 510 N N 0.430 119.122 118.700 -0.014 0.000 2.258 510 N HA -0.187 4.554 4.740 0.001 0.000 0.187 510 N C 1.353 176.676 175.510 -0.312 0.000 1.012 510 N CA 0.862 53.716 53.050 -0.327 0.000 0.870 510 N CB -0.150 37.469 38.487 -1.447 0.000 0.977 510 N HN 0.410 nan 8.380 nan 0.000 0.434 511 W N 1.412 122.379 121.300 -0.555 0.000 2.392 511 W HA -0.083 4.577 4.660 0.001 0.000 0.279 511 W C 1.736 177.908 176.519 -0.579 0.000 1.225 511 W CA 0.763 57.749 57.345 -0.599 0.000 1.233 511 W CB -0.027 28.842 29.460 -0.985 0.000 1.122 511 W HN -0.074 nan 8.180 nan 0.000 0.561 512 V N -4.230 115.419 119.914 -0.441 0.000 3.630 512 V HA -0.043 4.077 4.120 0.001 0.000 0.273 512 V C 0.462 176.277 176.094 -0.465 0.000 1.248 512 V CA 0.602 62.607 62.300 -0.490 0.000 1.170 512 V CB -1.281 30.130 31.823 -0.688 0.000 0.899 512 V HN 0.155 nan 8.190 nan 0.000 0.457 513 W N -0.520 120.725 121.300 -0.092 0.000 2.653 513 W HA 0.524 5.184 4.660 0.001 0.000 0.391 513 W C 0.432 176.888 176.519 -0.106 0.000 0.962 513 W CA -0.425 56.872 57.345 -0.079 0.000 1.900 513 W CB 0.821 30.220 29.460 -0.102 0.000 1.176 513 W HN 0.070 nan 8.180 nan 0.000 0.582 514 E N 0.824 121.036 120.200 0.020 0.000 2.199 514 E HA 0.184 4.534 4.350 0.001 0.000 0.269 514 E C 0.656 177.245 176.600 -0.017 0.000 0.899 514 E CA -0.316 56.071 56.400 -0.021 0.000 0.772 514 E CB 2.035 31.657 29.700 -0.131 0.000 1.155 514 E HN 0.181 nan 8.360 nan 0.000 0.408 515 Q N 1.276 121.074 119.800 -0.002 0.000 2.050 515 Q HA -0.208 4.133 4.340 0.001 0.000 0.202 515 Q C 1.753 177.752 176.000 -0.001 0.000 0.980 515 Q CA 1.637 57.441 55.803 0.001 0.000 0.840 515 Q CB 0.138 28.876 28.738 0.001 0.000 0.898 515 Q HN 0.599 nan 8.270 nan 0.000 0.424 516 E N 0.296 120.491 120.200 -0.009 0.000 2.038 516 E HA -0.187 4.164 4.350 0.001 0.000 0.195 516 E C -0.825 175.785 176.600 0.017 0.000 1.000 516 E CA 1.427 57.828 56.400 0.002 0.000 0.803 516 E CB -0.424 29.275 29.700 -0.001 0.000 0.750 516 E HN 0.205 nan 8.360 nan 0.000 0.448 517 P HA -0.128 nan 4.420 nan 0.000 0.216 517 P C 1.349 178.674 177.300 0.041 0.000 1.153 517 P CA 1.090 64.221 63.100 0.051 0.000 0.848 517 P CB -0.036 31.698 31.700 0.057 0.000 0.787 518 L N -1.405 119.836 121.223 0.030 0.000 2.042 518 L HA -0.179 4.161 4.340 0.001 0.000 0.210 518 L C 2.349 179.263 176.870 0.074 0.000 1.076 518 L CA 1.351 56.251 54.840 0.100 0.000 0.749 518 L CB -0.864 41.261 42.059 0.111 0.000 0.893 518 L HN -0.026 nan 8.230 nan 0.000 0.432 519 L N -0.854 120.384 121.223 0.026 0.000 2.201 519 L HA -0.168 4.172 4.340 0.001 0.000 0.212 519 L C 2.587 179.457 176.870 -0.000 0.000 1.105 519 L CA 1.005 55.841 54.840 -0.007 0.000 0.775 519 L CB -0.370 41.687 42.059 -0.004 0.000 0.913 519 L HN 0.197 nan 8.230 nan 0.000 0.440 520 R N -0.587 119.930 120.500 0.027 0.000 2.236 520 R HA 0.034 4.374 4.340 0.001 0.000 0.208 520 R C 1.580 177.906 176.300 0.043 0.000 1.036 520 R CA 0.737 56.861 56.100 0.039 0.000 1.001 520 R CB 0.006 30.335 30.300 0.049 0.000 0.896 520 R HN 0.359 nan 8.270 nan 0.000 0.464 521 M N 0.082 119.708 119.600 0.045 0.000 2.404 521 M HA 0.107 4.587 4.480 0.001 0.000 0.271 521 M C -0.243 176.022 176.300 -0.058 0.000 1.128 521 M CA -0.072 55.266 55.300 0.063 0.000 0.982 521 M CB 1.035 33.729 32.600 0.157 0.000 1.445 521 M HN -0.036 nan 8.290 nan 0.000 0.495 522 S N 0.425 116.009 115.700 -0.195 0.000 2.632 522 S HA 0.846 5.316 4.470 0.001 0.000 0.289 522 S C -0.565 173.924 174.600 -0.185 0.000 1.115 522 S CA -0.873 57.054 58.200 -0.456 0.000 0.889 522 S CB 3.132 65.777 63.200 -0.924 0.000 1.116 522 S HN 0.404 nan 8.310 nan 0.000 0.486 523 R N 0.819 121.240 120.500 -0.132 0.000 3.971 523 R HA 0.068 4.408 4.340 0.001 0.000 0.243 523 R C -1.766 174.536 176.300 0.003 0.000 1.054 523 R CA -0.405 55.702 56.100 0.012 0.000 1.243 523 R CB 0.531 30.830 30.300 -0.001 0.000 1.244 523 R HN 1.012 nan 8.270 nan 0.000 0.547 524 H N 5.088 124.116 119.070 -0.071 0.000 3.094 524 H HA -0.088 4.468 4.556 0.001 0.000 0.320 524 H C 0.557 175.775 175.328 -0.182 0.000 1.000 524 H CA 1.686 57.532 56.048 -0.337 0.000 1.413 524 H CB 0.614 30.094 29.762 -0.469 0.000 1.405 524 H HN 0.662 nan 8.280 nan 0.000 0.586 525 Y N 4.425 124.443 120.300 -0.470 0.000 2.333 525 Y HA -0.116 4.435 4.550 0.001 0.000 0.290 525 Y C 2.135 178.003 175.900 -0.054 0.000 1.144 525 Y CA 1.269 59.242 58.100 -0.211 0.000 1.228 525 Y CB -0.195 38.132 38.460 -0.223 0.000 0.985 525 Y HN 0.419 nan 8.280 nan 0.000 0.542 526 R N 0.396 120.475 120.500 -0.701 0.000 2.119 526 R HA 0.003 4.343 4.340 0.001 0.000 0.202 526 R C 2.145 178.349 176.300 -0.159 0.000 1.114 526 R CA 1.449 57.281 56.100 -0.446 0.000 1.089 526 R CB -0.503 29.397 30.300 -0.667 0.000 1.000 526 R HN 0.502 nan 8.270 nan 0.000 0.487 527 T N -2.600 111.899 114.554 -0.091 0.000 3.055 527 T HA 0.091 4.442 4.350 0.001 0.000 0.265 527 T C 1.344 175.997 174.700 -0.078 0.000 1.111 527 T CA 1.098 63.095 62.100 -0.171 0.000 1.118 527 T CB 0.116 68.764 68.868 -0.366 0.000 0.909 527 T HN 0.473 nan 8.240 nan 0.000 0.501 528 G N 0.866 109.658 108.800 -0.014 0.000 2.168 528 G HA2 -0.274 3.687 3.960 0.001 0.000 0.263 528 G HA3 -0.274 3.687 3.960 0.001 0.000 0.263 528 G C 0.251 175.172 174.900 0.035 0.000 0.977 528 G CA 0.302 45.406 45.100 0.007 0.000 0.659 528 G HN 0.762 nan 8.290 nan 0.000 0.533 529 S N 0.311 116.042 115.700 0.052 0.000 2.592 529 S HA 0.676 5.147 4.470 0.001 0.000 0.271 529 S C 0.813 175.539 174.600 0.210 0.000 1.326 529 S CA 0.131 58.389 58.200 0.097 0.000 1.024 529 S CB 1.538 64.782 63.200 0.074 0.000 0.921 529 S HN 1.472 nan 8.310 nan 0.000 0.527 530 A N 1.804 124.708 122.820 0.140 0.000 2.304 530 A HA 0.524 4.844 4.320 0.001 0.000 0.271 530 A C -0.024 177.579 177.584 0.031 0.000 1.091 530 A CA -0.648 51.446 52.037 0.095 0.000 0.812 530 A CB 0.102 19.115 19.000 0.021 0.000 1.056 530 A HN 0.634 nan 8.150 nan 0.000 0.489 531 V N 2.858 122.661 119.914 -0.186 0.000 2.540 531 V HA 0.106 4.226 4.120 0.001 0.000 0.297 531 V C -1.960 173.963 176.094 -0.286 0.000 1.024 531 V CA -0.575 61.376 62.300 -0.582 0.000 1.105 531 V CB 0.112 31.650 31.823 -0.475 0.000 0.938 531 V HN 0.746 nan 8.190 nan 0.000 0.482 532 P HA 0.156 nan 4.420 nan 0.000 0.268 532 P C 0.801 178.043 177.300 -0.097 0.000 1.205 532 P CA -0.293 62.737 63.100 -0.117 0.000 0.771 532 P CB 0.475 32.128 31.700 -0.078 0.000 0.858 533 R N 2.529 122.995 120.500 -0.057 0.000 2.117 533 R HA -0.200 4.141 4.340 0.001 0.000 0.243 533 R C 1.838 178.117 176.300 -0.035 0.000 1.143 533 R CA 1.554 57.630 56.100 -0.041 0.000 0.968 533 R CB -0.689 29.595 30.300 -0.026 0.000 0.863 533 R HN 0.645 nan 8.270 nan 0.000 0.444 534 E N 0.475 120.656 120.200 -0.032 0.000 2.085 534 E HA -0.193 4.158 4.350 0.001 0.000 0.194 534 E C 1.876 178.462 176.600 -0.024 0.000 0.994 534 E CA 0.929 57.316 56.400 -0.023 0.000 0.801 534 E CB -0.013 29.677 29.700 -0.017 0.000 0.743 534 E HN 0.065 nan 8.360 nan 0.000 0.453 535 L N 0.799 121.997 121.223 -0.042 0.000 2.056 535 L HA -0.101 4.240 4.340 0.001 0.000 0.207 535 L C 2.127 178.974 176.870 -0.038 0.000 1.078 535 L CA 1.358 56.172 54.840 -0.043 0.000 0.749 535 L CB -0.378 41.630 42.059 -0.085 0.000 0.901 535 L HN 0.209 nan 8.230 nan 0.000 0.433 536 L N -0.788 120.407 121.223 -0.047 0.000 2.046 536 L HA -0.211 4.130 4.340 0.001 0.000 0.208 536 L C 2.511 179.378 176.870 -0.004 0.000 1.077 536 L CA 1.390 56.215 54.840 -0.026 0.000 0.747 536 L CB -0.466 41.578 42.059 -0.025 0.000 0.896 536 L HN 0.355 nan 8.230 nan 0.000 0.432 537 E N 0.062 120.259 120.200 -0.004 0.000 2.051 537 E HA -0.248 4.103 4.350 0.001 0.000 0.192 537 E C 2.184 178.796 176.600 0.020 0.000 0.991 537 E CA 1.215 57.619 56.400 0.008 0.000 0.799 537 E CB -0.039 29.661 29.700 -0.001 0.000 0.748 537 E HN 0.440 nan 8.360 nan 0.000 0.449 538 K N 0.575 120.984 120.400 0.016 0.000 2.026 538 K HA -0.173 4.147 4.320 0.001 0.000 0.208 538 K C 2.283 178.915 176.600 0.053 0.000 1.048 538 K CA 0.931 57.240 56.287 0.036 0.000 0.929 538 K CB -0.287 32.229 32.500 0.026 0.000 0.713 538 K HN 0.018 nan 8.250 nan 0.000 0.439 539 L N 1.840 123.074 121.223 0.019 0.000 1.990 539 L HA -0.197 4.143 4.340 0.001 0.000 0.213 539 L C 1.989 178.923 176.870 0.107 0.000 1.072 539 L CA 1.673 56.508 54.840 -0.008 0.000 0.755 539 L CB -0.375 41.611 42.059 -0.122 0.000 0.889 539 L HN 0.167 nan 8.230 nan 0.000 0.432 540 I N -0.588 120.052 120.570 0.117 0.000 2.264 540 I HA -0.267 3.904 4.170 0.001 0.000 0.248 540 I C 2.468 178.627 176.117 0.069 0.000 1.111 540 I CA 1.450 62.867 61.300 0.195 0.000 1.382 540 I CB -0.359 37.715 38.000 0.122 0.000 1.060 540 I HN 0.378 nan 8.210 nan 0.000 0.418 541 E N 1.189 121.425 120.200 0.061 0.000 2.150 541 E HA -0.196 4.154 4.350 0.001 0.000 0.193 541 E C 2.185 178.836 176.600 0.084 0.000 0.985 541 E CA 1.587 58.029 56.400 0.070 0.000 0.814 541 E CB -0.183 29.581 29.700 0.106 0.000 0.752 541 E HN 0.476 nan 8.360 nan 0.000 0.466 542 S N -0.109 115.635 115.700 0.072 0.000 2.500 542 S HA -0.178 4.293 4.470 0.001 0.000 0.239 542 S C 1.992 176.384 174.600 -0.347 0.000 0.989 542 S CA 0.871 59.000 58.200 -0.119 0.000 0.951 542 S CB -0.352 62.846 63.200 -0.005 0.000 0.759 542 S HN 0.296 nan 8.310 nan 0.000 0.523 543 R N 0.849 121.095 120.500 -0.423 0.000 2.120 543 R HA -0.065 4.276 4.340 0.001 0.000 0.234 543 R C 1.728 177.671 176.300 -0.595 0.000 1.123 543 R CA 1.509 57.092 56.100 -0.861 0.000 0.975 543 R CB -0.176 29.227 30.300 -1.496 0.000 0.866 543 R HN 0.438 nan 8.270 nan 0.000 0.446 544 Q N -0.042 119.492 119.800 -0.443 0.000 2.451 544 Q HA 0.144 4.485 4.340 0.001 0.000 0.206 544 Q C 0.259 176.042 176.000 -0.362 0.000 0.947 544 Q CA 0.585 56.192 55.803 -0.327 0.000 0.937 544 Q CB 0.239 28.876 28.738 -0.168 0.000 1.025 544 Q HN 0.295 nan 8.270 nan 0.000 0.511 545 A N 2.770 125.174 122.820 -0.694 0.000 2.573 545 A HA -0.023 4.298 4.320 0.001 0.000 0.250 545 A C 0.595 177.989 177.584 -0.318 0.000 1.049 545 A CA 0.072 51.623 52.037 -0.811 0.000 0.767 545 A CB -0.266 18.078 19.000 -1.094 0.000 0.965 545 A HN 0.495 nan 8.150 nan 0.000 0.514 546 N N 1.236 119.859 118.700 -0.129 0.000 2.713 546 N HA -0.208 4.533 4.740 0.001 0.000 0.251 546 N C 1.013 176.536 175.510 0.021 0.000 1.117 546 N CA 1.551 54.590 53.050 -0.019 0.000 0.770 546 N CB -1.486 37.002 38.487 0.000 0.000 1.137 546 N HN 0.860 nan 8.380 nan 0.000 0.566 547 T N -0.860 113.671 114.554 -0.038 0.000 2.833 547 T HA -0.048 4.302 4.350 0.001 0.000 0.269 547 T C 1.895 176.653 174.700 0.098 0.000 1.054 547 T CA 1.915 64.026 62.100 0.017 0.000 1.135 547 T CB -0.284 68.525 68.868 -0.098 0.000 0.869 547 T HN 0.565 nan 8.240 nan 0.000 0.466 548 G N 1.145 109.974 108.800 0.048 0.000 2.433 548 G HA2 -0.090 3.871 3.960 0.001 0.000 0.216 548 G HA3 -0.090 3.871 3.960 0.001 0.000 0.216 548 G C 1.494 176.440 174.900 0.076 0.000 1.186 548 G CA 0.699 45.830 45.100 0.052 0.000 0.779 548 G HN 0.527 nan 8.290 nan 0.000 0.543 549 L N -0.779 120.490 121.223 0.076 0.000 2.141 549 L HA 0.068 4.409 4.340 0.001 0.000 0.209 549 L C 2.562 179.482 176.870 0.084 0.000 1.094 549 L CA 0.630 55.508 54.840 0.063 0.000 0.763 549 L CB -0.402 41.690 42.059 0.055 0.000 0.908 549 L HN 0.229 nan 8.230 nan 0.000 0.437 550 F N 1.303 121.266 119.950 0.022 0.000 2.102 550 F HA -0.229 4.298 4.527 0.001 0.000 0.298 550 F C 2.445 178.290 175.800 0.075 0.000 1.105 550 F CA 1.686 59.711 58.000 0.042 0.000 1.239 550 F CB -0.258 38.761 39.000 0.031 0.000 0.991 550 F HN 0.100 nan 8.300 nan 0.000 0.474 551 N N 0.557 119.348 118.700 0.152 0.000 2.216 551 N HA -0.104 4.637 4.740 0.001 0.000 0.183 551 N C 2.051 177.580 175.510 0.032 0.000 1.017 551 N CA 1.306 54.422 53.050 0.111 0.000 0.861 551 N CB -0.338 38.312 38.487 0.271 0.000 0.986 551 N HN 0.358 nan 8.380 nan 0.000 0.428 552 L N 0.865 122.104 121.223 0.026 0.000 2.131 552 L HA -0.098 4.243 4.340 0.001 0.000 0.210 552 L C 2.647 179.501 176.870 -0.027 0.000 1.092 552 L CA 0.873 55.719 54.840 0.009 0.000 0.759 552 L CB -0.245 41.817 42.059 0.004 0.000 0.903 552 L HN 0.125 nan 8.230 nan 0.000 0.435 553 R N -0.412 120.040 120.500 -0.080 0.000 2.092 553 R HA -0.151 4.189 4.340 0.001 0.000 0.231 553 R C 2.339 178.584 176.300 -0.093 0.000 1.119 553 R CA 1.011 57.049 56.100 -0.103 0.000 0.970 553 R CB 0.027 30.242 30.300 -0.142 0.000 0.864 553 R HN 0.287 nan 8.270 nan 0.000 0.440 554 Q N 0.524 120.243 119.800 -0.135 0.000 2.170 554 Q HA -0.130 4.211 4.340 0.001 0.000 0.203 554 Q C 2.137 178.239 176.000 0.171 0.000 0.976 554 Q CA 1.315 57.133 55.803 0.025 0.000 0.858 554 Q CB -0.090 28.641 28.738 -0.012 0.000 0.907 554 Q HN 0.490 nan 8.270 nan 0.000 0.433 555 I N -0.255 120.383 120.570 0.114 0.000 2.252 555 I HA -0.218 3.953 4.170 0.001 0.000 0.245 555 I C 2.229 178.424 176.117 0.130 0.000 1.102 555 I CA 0.569 61.961 61.300 0.153 0.000 1.385 555 I CB -0.249 37.812 38.000 0.101 0.000 1.064 555 I HN -0.036 nan 8.210 nan 0.000 0.414 556 V N 1.244 121.193 119.914 0.058 0.000 2.287 556 V HA -0.294 3.826 4.120 0.001 0.000 0.248 556 V C 2.410 178.549 176.094 0.075 0.000 1.053 556 V CA 1.804 64.124 62.300 0.033 0.000 1.027 556 V CB -0.500 31.293 31.823 -0.050 0.000 0.646 556 V HN 0.369 nan 8.190 nan 0.000 0.447 557 L N -0.132 121.105 121.223 0.023 0.000 2.046 557 L HA -0.166 4.175 4.340 0.001 0.000 0.208 557 L C 2.735 179.667 176.870 0.103 0.000 1.077 557 L CA 1.610 56.381 54.840 -0.116 0.000 0.747 557 L CB -0.837 40.926 42.059 -0.492 0.000 0.896 557 L HN 0.375 nan 8.230 nan 0.000 0.432 558 A N 0.075 123.087 122.820 0.320 0.000 1.902 558 A HA -0.212 4.109 4.320 0.001 0.000 0.217 558 A C 2.334 180.128 177.584 0.351 0.000 1.181 558 A CA 1.631 53.970 52.037 0.504 0.000 0.623 558 A CB -0.328 19.006 19.000 0.557 0.000 0.818 558 A HN 0.307 nan 8.150 nan 0.000 0.443 559 K N -0.486 120.068 120.400 0.256 0.000 2.097 559 K HA -0.039 4.281 4.320 0.001 0.000 0.205 559 K C 1.865 178.580 176.600 0.191 0.000 1.050 559 K CA 1.261 57.668 56.287 0.200 0.000 0.938 559 K CB -0.296 32.291 32.500 0.145 0.000 0.718 559 K HN 0.309 nan 8.250 nan 0.000 0.442 560 V N 1.748 121.783 119.914 0.201 0.000 2.343 560 V HA -0.259 3.861 4.120 0.001 0.000 0.247 560 V C 2.013 178.244 176.094 0.229 0.000 1.051 560 V CA 2.149 64.573 62.300 0.207 0.000 1.036 560 V CB -0.464 31.505 31.823 0.242 0.000 0.654 560 V HN 0.371 nan 8.190 nan 0.000 0.451 561 D N -0.645 119.940 120.400 0.308 0.000 2.123 561 D HA -0.200 4.440 4.640 0.001 0.000 0.196 561 D C 2.239 178.761 176.300 0.371 0.000 0.992 561 D CA 1.313 55.525 54.000 0.352 0.000 0.833 561 D CB -0.045 40.988 40.800 0.389 0.000 0.954 561 D HN 0.306 nan 8.370 nan 0.000 0.455 562 Q N -0.089 119.885 119.800 0.289 0.000 2.079 562 Q HA -0.014 4.326 4.340 0.001 0.000 0.200 562 Q C 2.252 178.355 176.000 0.173 0.000 0.974 562 Q CA 1.309 57.250 55.803 0.230 0.000 0.840 562 Q CB -0.630 28.213 28.738 0.174 0.000 0.898 562 Q HN 0.412 nan 8.270 nan 0.000 0.430 563 A N 1.044 123.945 122.820 0.135 0.000 1.902 563 A HA -0.126 4.194 4.320 0.001 0.000 0.217 563 A C 2.194 179.796 177.584 0.030 0.000 1.181 563 A CA 1.096 53.184 52.037 0.084 0.000 0.623 563 A CB -0.735 18.313 19.000 0.081 0.000 0.818 563 A HN 0.331 nan 8.150 nan 0.000 0.443 564 L N -1.489 119.713 121.223 -0.035 0.000 2.275 564 L HA -0.134 4.207 4.340 0.001 0.000 0.215 564 L C 1.304 177.949 176.870 -0.376 0.000 1.119 564 L CA 1.086 55.790 54.840 -0.228 0.000 0.790 564 L CB -0.532 41.316 42.059 -0.352 0.000 0.919 564 L HN 0.537 nan 8.230 nan 0.000 0.443 565 H N -1.892 117.242 119.070 0.106 0.000 2.486 565 H HA 0.098 4.655 4.556 0.001 0.000 0.284 565 H C 1.253 176.659 175.328 0.129 0.000 1.103 565 H CA 0.607 56.740 56.048 0.141 0.000 1.089 565 H CB 0.406 30.295 29.762 0.213 0.000 1.603 565 H HN 0.235 nan 8.280 nan 0.000 0.557 566 T N -4.248 110.393 114.554 0.146 0.000 3.100 566 T HA 0.147 4.497 4.350 0.001 0.000 0.255 566 T C 0.736 175.485 174.700 0.081 0.000 0.893 566 T CA -0.243 61.931 62.100 0.123 0.000 0.882 566 T CB 0.610 69.543 68.868 0.108 0.000 1.266 566 T HN 0.091 nan 8.240 nan 0.000 0.528 567 Q N 0.687 120.520 119.800 0.056 0.000 2.180 567 Q HA 0.612 4.952 4.340 0.001 0.000 0.241 567 Q C 0.297 176.310 176.000 0.022 0.000 0.970 567 Q CA -0.451 55.373 55.803 0.036 0.000 0.919 567 Q CB 1.739 30.495 28.738 0.030 0.000 1.222 567 Q HN 0.146 nan 8.270 nan 0.000 0.482 568 T N -0.605 113.959 114.554 0.017 0.000 3.087 568 T HA -0.057 4.293 4.350 0.001 0.000 0.237 568 T C 0.621 175.323 174.700 0.005 0.000 0.990 568 T CA 0.861 62.967 62.100 0.010 0.000 1.160 568 T CB -0.047 68.827 68.868 0.010 0.000 0.923 568 T HN 0.720 nan 8.240 nan 0.000 0.442 569 D N 2.049 122.454 120.400 0.008 0.000 2.340 569 D HA 0.345 4.985 4.640 0.001 0.000 0.220 569 D C 0.747 177.054 176.300 0.011 0.000 1.039 569 D CA -0.135 53.871 54.000 0.009 0.000 0.866 569 D CB -0.370 40.436 40.800 0.010 0.000 0.913 569 D HN 0.418 nan 8.370 nan 0.000 0.523 570 A N 0.938 123.765 122.820 0.012 0.000 2.561 570 A HA 0.129 4.450 4.320 0.001 0.000 0.251 570 A C -0.089 177.506 177.584 0.018 0.000 1.062 570 A CA 0.023 52.071 52.037 0.018 0.000 0.761 570 A CB -0.220 18.791 19.000 0.019 0.000 0.986 570 A HN 0.256 nan 8.150 nan 0.000 0.510 571 D N 3.504 123.921 120.400 0.028 0.000 2.313 571 D HA 0.417 5.057 4.640 0.001 0.000 0.239 571 D C -1.592 174.739 176.300 0.051 0.000 1.142 571 D CA -1.660 52.360 54.000 0.034 0.000 0.847 571 D CB 1.161 41.982 40.800 0.035 0.000 1.082 571 D HN 0.178 nan 8.370 nan 0.000 0.480 572 P HA -0.239 nan 4.420 nan 0.000 0.214 572 P C 0.977 178.341 177.300 0.106 0.000 1.169 572 P CA 1.917 65.062 63.100 0.075 0.000 0.908 572 P CB 0.107 31.848 31.700 0.068 0.000 0.791 573 A N -0.392 122.482 122.820 0.089 0.000 1.883 573 A HA -0.270 4.050 4.320 0.001 0.000 0.217 573 A C 2.192 179.861 177.584 0.142 0.000 1.186 573 A CA 1.994 54.100 52.037 0.114 0.000 0.624 573 A CB -1.358 17.689 19.000 0.078 0.000 0.822 573 A HN 0.202 nan 8.150 nan 0.000 0.444 574 E N -0.778 119.479 120.200 0.095 0.000 2.106 574 E HA -0.165 4.185 4.350 0.001 0.000 0.192 574 E C 2.092 178.739 176.600 0.077 0.000 0.984 574 E CA 0.969 57.414 56.400 0.075 0.000 0.806 574 E CB -0.067 29.663 29.700 0.051 0.000 0.750 574 E HN 0.498 nan 8.360 nan 0.000 0.458 575 E N 0.195 120.450 120.200 0.092 0.000 2.051 575 E HA -0.195 4.155 4.350 0.001 0.000 0.192 575 E C 1.869 178.533 176.600 0.107 0.000 0.991 575 E CA 0.926 57.379 56.400 0.088 0.000 0.799 575 E CB -0.370 29.387 29.700 0.095 0.000 0.748 575 E HN 0.338 nan 8.360 nan 0.000 0.449 576 Y N 1.205 121.518 120.300 0.021 0.000 2.128 576 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 576 Y C 2.202 178.103 175.900 0.002 0.000 1.154 576 Y CA 1.855 59.959 58.100 0.007 0.000 1.149 576 Y CB -0.524 37.937 38.460 0.003 0.000 0.976 576 Y HN 0.018 nan 8.280 nan 0.000 0.505 577 A N 0.702 123.531 122.820 0.015 0.000 1.883 577 A HA -0.229 4.091 4.320 0.001 0.000 0.217 577 A C 2.428 179.947 177.584 -0.109 0.000 1.186 577 A CA 1.927 53.919 52.037 -0.075 0.000 0.624 577 A CB -0.911 18.110 19.000 0.034 0.000 0.822 577 A HN 0.554 nan 8.150 nan 0.000 0.444 578 R N -0.400 120.070 120.500 -0.049 0.000 2.083 578 R HA -0.098 4.242 4.340 0.001 0.000 0.237 578 R C 2.017 178.274 176.300 -0.072 0.000 1.137 578 R CA 1.727 57.801 56.100 -0.043 0.000 0.951 578 R CB -0.414 29.881 30.300 -0.009 0.000 0.851 578 R HN 0.535 nan 8.270 nan 0.000 0.434 579 L N -0.273 120.896 121.223 -0.089 0.000 2.093 579 L HA -0.219 4.122 4.340 0.001 0.000 0.208 579 L C 2.728 179.500 176.870 -0.164 0.000 1.085 579 L CA 0.921 55.702 54.840 -0.097 0.000 0.755 579 L CB -0.374 41.647 42.059 -0.064 0.000 0.904 579 L HN 0.373 nan 8.230 nan 0.000 0.435 580 C N -0.636 118.488 119.300 -0.293 0.000 2.429 580 C HA -0.191 4.270 4.460 0.001 0.000 0.277 580 C C 2.900 177.785 174.990 -0.176 0.000 1.262 580 C CA 0.944 59.777 59.018 -0.309 0.000 1.733 580 C CB -0.516 26.944 27.740 -0.466 0.000 2.010 580 C HN 0.524 nan 8.230 nan 0.000 0.483 581 Q N 1.089 120.804 119.800 -0.142 0.000 2.020 581 Q HA -0.117 4.224 4.340 0.001 0.000 0.198 581 Q C 1.967 177.924 176.000 -0.072 0.000 0.974 581 Q CA 1.782 57.528 55.803 -0.094 0.000 0.829 581 Q CB -0.322 28.372 28.738 -0.073 0.000 0.894 581 Q HN 0.648 nan 8.270 nan 0.000 0.433 582 E N -0.718 119.445 120.200 -0.063 0.000 2.106 582 E HA -0.088 4.262 4.350 0.001 0.000 0.192 582 E C 1.832 178.409 176.600 -0.038 0.000 0.984 582 E CA 1.256 57.631 56.400 -0.042 0.000 0.806 582 E CB 0.090 29.772 29.700 -0.029 0.000 0.750 582 E HN 0.424 nan 8.360 nan 0.000 0.458 583 I N -0.399 120.142 120.570 -0.048 0.000 2.947 583 I HA -0.085 4.086 4.170 0.001 0.000 0.263 583 I C 2.040 178.131 176.117 -0.043 0.000 1.130 583 I CA 0.100 61.379 61.300 -0.036 0.000 1.448 583 I CB 0.130 38.114 38.000 -0.026 0.000 1.222 583 I HN 0.069 nan 8.210 nan 0.000 0.453 584 L N 1.277 122.459 121.223 -0.068 0.000 2.179 584 L HA 0.217 4.557 4.340 0.001 0.000 0.208 584 L C 1.520 178.354 176.870 -0.061 0.000 1.096 584 L CA 1.795 56.596 54.840 -0.066 0.000 0.779 584 L CB -0.559 41.443 42.059 -0.094 0.000 0.922 584 L HN 0.444 nan 8.230 nan 0.000 0.443 585 G N -0.988 107.769 108.800 -0.071 0.000 2.143 585 G HA2 -0.207 3.754 3.960 0.001 0.000 0.249 585 G HA3 -0.207 3.754 3.960 0.001 0.000 0.249 585 G C 0.058 174.910 174.900 -0.080 0.000 0.981 585 G CA 0.218 45.279 45.100 -0.065 0.000 0.665 585 G HN 0.325 nan 8.290 nan 0.000 0.528 586 V N 2.529 122.386 119.914 -0.096 0.000 2.443 586 V HA 0.511 4.632 4.120 0.001 0.000 0.293 586 V C -1.721 174.299 176.094 -0.124 0.000 1.021 586 V CA -1.519 60.714 62.300 -0.112 0.000 0.848 586 V CB 2.283 34.045 31.823 -0.101 0.000 0.998 586 V HN 0.211 nan 8.190 nan 0.000 0.424 587 P HA 0.223 nan 4.420 nan 0.000 0.271 587 P C -0.337 176.922 177.300 -0.068 0.000 1.216 587 P CA 0.032 63.072 63.100 -0.099 0.000 0.776 587 P CB 1.189 32.841 31.700 -0.080 0.000 0.881 588 A N 3.281 126.071 122.820 -0.050 0.000 2.425 588 A HA 0.308 4.629 4.320 0.001 0.000 0.249 588 A C 0.486 178.137 177.584 0.112 0.000 1.084 588 A CA -0.079 51.996 52.037 0.065 0.000 0.781 588 A CB -0.541 18.524 19.000 0.107 0.000 1.019 588 A HN 0.529 nan 8.150 nan 0.000 0.490 589 T N 4.989 119.654 114.554 0.185 0.000 2.799 589 T HA 0.328 4.678 4.350 0.001 0.000 0.296 589 T C -2.316 172.480 174.700 0.160 0.000 0.947 589 T CA -0.186 62.046 62.100 0.220 0.000 1.141 589 T CB 0.119 69.179 68.868 0.320 0.000 0.891 589 T HN 0.453 nan 8.240 nan 0.000 0.533 590 P HA 0.188 nan 4.420 nan 0.000 0.264 590 P C 1.116 178.465 177.300 0.081 0.000 1.183 590 P CA 0.858 64.013 63.100 0.092 0.000 0.763 590 P CB 0.301 32.047 31.700 0.076 0.000 0.807 591 G N 1.296 110.134 108.800 0.064 0.000 2.241 591 G HA2 -0.232 3.729 3.960 0.001 0.000 0.244 591 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 591 G C 0.455 175.381 174.900 0.043 0.000 0.998 591 G CA 0.349 45.477 45.100 0.045 0.000 0.621 591 G HN 0.823 nan 8.290 nan 0.000 0.519 592 T N -1.616 112.978 114.554 0.067 0.000 2.847 592 T HA 0.598 4.949 4.350 0.001 0.000 0.279 592 T C -0.003 174.720 174.700 0.038 0.000 0.984 592 T CA 0.183 62.315 62.100 0.054 0.000 0.988 592 T CB 1.986 70.910 68.868 0.095 0.000 1.040 592 T HN 0.526 nan 8.240 nan 0.000 0.528 593 N N 1.205 119.897 118.700 -0.012 0.000 2.751 593 N HA 0.082 4.822 4.740 0.001 0.000 0.234 593 N C 0.579 176.010 175.510 -0.132 0.000 1.403 593 N CA -0.453 52.572 53.050 -0.042 0.000 0.747 593 N CB 0.954 39.428 38.487 -0.022 0.000 1.326 593 N HN 0.740 nan 8.380 nan 0.000 0.532 594 M N 1.940 121.370 119.600 -0.284 0.000 2.149 594 M HA 0.041 4.522 4.480 0.001 0.000 0.261 594 M C -1.206 174.909 176.300 -0.309 0.000 1.064 594 M CA 1.838 56.884 55.300 -0.424 0.000 1.102 594 M CB -1.264 30.793 32.600 -0.905 0.000 1.369 594 M HN 0.152 nan 8.290 nan 0.000 0.408 595 P HA -0.073 nan 4.420 nan 0.000 0.219 595 P C 0.946 178.383 177.300 0.228 0.000 1.146 595 P CA 1.992 65.115 63.100 0.039 0.000 0.808 595 P CB -0.326 31.406 31.700 0.053 0.000 0.779 596 A N -0.885 121.999 122.820 0.108 0.000 2.209 596 A HA -0.062 4.258 4.320 0.001 0.000 0.212 596 A C 1.840 179.386 177.584 -0.063 0.000 1.158 596 A CA 1.812 53.910 52.037 0.103 0.000 0.742 596 A CB -1.313 17.672 19.000 -0.025 0.000 0.790 596 A HN 0.333 nan 8.150 nan 0.000 0.472 597 T N -5.316 109.248 114.554 0.017 0.000 3.040 597 T HA 0.251 4.602 4.350 0.001 0.000 0.266 597 T C 0.155 175.006 174.700 0.252 0.000 1.005 597 T CA -0.360 61.709 62.100 -0.051 0.000 0.906 597 T CB -0.289 68.444 68.868 -0.224 0.000 1.082 597 T HN 0.092 nan 8.240 nan 0.000 0.531 598 F N 3.831 123.907 119.950 0.210 0.000 2.651 598 F HA 0.581 5.109 4.527 0.001 0.000 0.347 598 F C 1.508 177.540 175.800 0.386 0.000 1.284 598 F CA -1.964 56.174 58.000 0.230 0.000 1.175 598 F CB -0.350 38.708 39.000 0.098 0.000 1.542 598 F HN 0.217 nan 8.300 nan 0.000 0.661 599 G N 2.769 111.926 108.800 0.594 0.000 2.507 599 G HA2 -0.344 3.616 3.960 0.001 0.000 0.221 599 G HA3 -0.344 3.616 3.960 0.001 0.000 0.221 599 G C 1.414 176.377 174.900 0.104 0.000 1.119 599 G CA 0.980 46.320 45.100 0.400 0.000 0.751 599 G HN 0.678 nan 8.290 nan 0.000 0.574 600 H N 0.053 119.064 119.070 -0.098 0.000 2.457 600 H HA 0.038 4.594 4.556 0.001 0.000 0.297 600 H C 2.509 177.659 175.328 -0.296 0.000 1.092 600 H CA 0.961 56.886 56.048 -0.206 0.000 1.309 600 H CB -0.192 29.407 29.762 -0.271 0.000 1.382 600 H HN 0.319 nan 8.280 nan 0.000 0.535 601 L N -0.784 120.185 121.223 -0.424 0.000 2.362 601 L HA -0.036 4.305 4.340 0.001 0.000 0.219 601 L C 1.624 178.310 176.870 -0.305 0.000 1.134 601 L CA 0.887 55.527 54.840 -0.333 0.000 0.807 601 L CB -0.012 41.820 42.059 -0.378 0.000 0.927 601 L HN 0.276 nan 8.230 nan 0.000 0.447 602 A N -0.879 121.746 122.820 -0.326 0.000 2.610 602 A HA 0.492 4.813 4.320 0.001 0.000 0.291 602 A C 1.189 178.739 177.584 -0.057 0.000 1.116 602 A CA 0.288 52.178 52.037 -0.245 0.000 0.963 602 A CB 0.070 18.827 19.000 -0.404 0.000 1.220 602 A HN 0.240 nan 8.150 nan 0.000 0.530 603 G N -1.690 107.110 108.800 0.000 0.000 3.735 603 G HA2 0.445 4.406 3.960 0.001 0.000 0.283 603 G HA3 0.445 4.406 3.960 0.001 0.000 0.283 603 G C 1.004 175.962 174.900 0.096 0.000 1.007 603 G CA 0.286 45.430 45.100 0.074 0.000 0.821 603 G HN 1.501 nan 8.290 nan 0.000 0.505 604 G N -0.369 108.448 108.800 0.028 0.000 2.217 604 G HA2 -0.354 3.607 3.960 0.001 0.000 0.246 604 G HA3 -0.354 3.607 3.960 0.001 0.000 0.246 604 G C 0.818 175.646 174.900 -0.119 0.000 0.990 604 G CA 0.527 45.589 45.100 -0.063 0.000 0.627 604 G HN 0.399 nan 8.290 nan 0.000 0.522 605 Y N 2.610 122.890 120.300 -0.034 0.000 2.466 605 Y HA 0.187 4.737 4.550 0.001 0.000 0.272 605 Y C 1.497 177.381 175.900 -0.025 0.000 1.169 605 Y CA -0.130 57.965 58.100 -0.010 0.000 1.285 605 Y CB 0.178 38.712 38.460 0.124 0.000 1.078 605 Y HN 0.468 nan 8.280 nan 0.000 0.523 606 D N 0.874 121.307 120.400 0.054 0.000 2.658 606 D HA -0.035 4.605 4.640 0.001 0.000 0.230 606 D C 1.179 177.368 176.300 -0.185 0.000 1.118 606 D CA 1.112 55.050 54.000 -0.103 0.000 0.848 606 D CB 1.041 41.730 40.800 -0.186 0.000 1.160 606 D HN 0.334 nan 8.370 nan 0.000 0.497 607 A N 2.868 125.585 122.820 -0.172 0.000 3.396 607 A HA -0.296 4.024 4.320 0.001 0.000 0.267 607 A C 1.100 178.764 177.584 0.133 0.000 1.139 607 A CA 1.517 53.535 52.037 -0.031 0.000 1.115 607 A CB -2.043 16.839 19.000 -0.197 0.000 1.133 607 A HN 0.713 nan 8.150 nan 0.000 0.920 608 Q N -2.724 117.167 119.800 0.152 0.000 2.139 608 Q HA 0.251 4.591 4.340 0.001 0.000 0.219 608 Q C 1.026 177.027 176.000 0.001 0.000 0.805 608 Q CA 0.214 56.086 55.803 0.114 0.000 1.024 608 Q CB 0.149 28.849 28.738 -0.064 0.000 1.163 608 Q HN 0.756 nan 8.270 nan 0.000 0.485 609 Y N 0.998 121.372 120.300 0.125 0.000 2.256 609 Y HA -0.348 4.202 4.550 0.001 0.000 0.288 609 Y C 2.092 178.034 175.900 0.069 0.000 1.155 609 Y CA 2.063 60.240 58.100 0.129 0.000 1.203 609 Y CB -0.096 38.534 38.460 0.282 0.000 0.980 609 Y HN 0.357 nan 8.280 nan 0.000 0.530 610 Y N -1.694 118.721 120.300 0.192 0.000 2.384 610 Y HA -0.049 4.501 4.550 0.001 0.000 0.289 610 Y C 2.231 178.150 175.900 0.032 0.000 1.152 610 Y CA 0.714 58.918 58.100 0.173 0.000 1.258 610 Y CB -1.306 37.252 38.460 0.164 0.000 0.979 610 Y HN 0.009 nan 8.280 nan 0.000 0.549 611 G N 0.321 108.339 108.800 -1.303 0.000 2.469 611 G HA2 -0.332 3.628 3.960 0.001 0.000 0.220 611 G HA3 -0.332 3.628 3.960 0.001 0.000 0.220 611 G C 1.229 175.884 174.900 -0.410 0.000 1.136 611 G CA 1.288 45.770 45.100 -1.031 0.000 0.759 611 G HN 0.643 nan 8.290 nan 0.000 0.562 612 Y N 0.198 120.357 120.300 -0.235 0.000 2.145 612 Y HA -0.028 4.523 4.550 0.001 0.000 0.286 612 Y C 2.834 178.740 175.900 0.009 0.000 1.145 612 Y CA 0.758 58.799 58.100 -0.099 0.000 1.148 612 Y CB -0.282 38.063 38.460 -0.192 0.000 0.981 612 Y HN 0.074 nan 8.280 nan 0.000 0.507 613 L N -1.310 120.039 121.223 0.211 0.000 2.056 613 L HA -0.248 4.093 4.340 0.001 0.000 0.207 613 L C 2.473 179.453 176.870 0.184 0.000 1.078 613 L CA 0.974 55.944 54.840 0.217 0.000 0.749 613 L CB -0.580 41.689 42.059 0.350 0.000 0.901 613 L HN 0.520 nan 8.230 nan 0.000 0.433 614 W N 1.441 122.676 121.300 -0.107 0.000 2.333 614 W HA -0.274 4.387 4.660 0.001 0.000 0.316 614 W C 2.786 179.222 176.519 -0.138 0.000 1.215 614 W CA 2.338 59.466 57.345 -0.361 0.000 1.278 614 W CB -0.389 28.855 29.460 -0.360 0.000 1.154 614 W HN 0.365 nan 8.180 nan 0.000 0.486 615 S N -0.107 115.755 115.700 0.270 0.000 2.368 615 S HA -0.273 4.197 4.470 0.001 0.000 0.225 615 S C 1.777 176.463 174.600 0.143 0.000 1.030 615 S CA 1.532 59.882 58.200 0.249 0.000 0.999 615 S CB -0.904 62.415 63.200 0.198 0.000 0.844 615 S HN 0.482 nan 8.310 nan 0.000 0.459 616 E N 0.848 121.112 120.200 0.107 0.000 2.051 616 E HA -0.118 4.233 4.350 0.001 0.000 0.192 616 E C 2.007 178.603 176.600 -0.008 0.000 0.991 616 E CA 1.425 57.886 56.400 0.102 0.000 0.799 616 E CB -0.205 29.575 29.700 0.134 0.000 0.748 616 E HN 0.438 nan 8.360 nan 0.000 0.449 617 V N 0.330 120.058 119.914 -0.309 0.000 2.287 617 V HA -0.274 3.846 4.120 0.001 0.000 0.248 617 V C 1.955 177.965 176.094 -0.139 0.000 1.053 617 V CA 1.961 63.938 62.300 -0.539 0.000 1.027 617 V CB -0.671 30.708 31.823 -0.740 0.000 0.646 617 V HN 0.411 nan 8.190 nan 0.000 0.447 618 Y N 0.632 120.937 120.300 0.007 0.000 2.439 618 Y HA -0.158 4.392 4.550 0.001 0.000 0.292 618 Y C 2.775 178.796 175.900 0.203 0.000 1.130 618 Y CA 0.704 58.850 58.100 0.077 0.000 1.254 618 Y CB -0.211 38.246 38.460 -0.006 0.000 1.000 618 Y HN 0.428 nan 8.280 nan 0.000 0.554 619 S N -0.074 115.821 115.700 0.325 0.000 2.402 619 S HA -0.243 4.228 4.470 0.001 0.000 0.229 619 S C 1.860 176.693 174.600 0.389 0.000 1.021 619 S CA 1.205 59.602 58.200 0.329 0.000 0.974 619 S CB -0.368 62.977 63.200 0.242 0.000 0.800 619 S HN 0.423 nan 8.310 nan 0.000 0.484 620 M N 2.254 122.079 119.600 0.375 0.000 2.319 620 M HA 0.079 4.559 4.480 0.001 0.000 0.265 620 M C 1.487 178.045 176.300 0.430 0.000 1.068 620 M CA 1.440 56.989 55.300 0.414 0.000 1.118 620 M CB -0.758 32.084 32.600 0.403 0.000 1.395 620 M HN 0.268 nan 8.290 nan 0.000 0.435 621 D N -0.380 120.257 120.400 0.395 0.000 2.117 621 D HA -0.128 4.512 4.640 0.001 0.000 0.198 621 D C 1.869 178.390 176.300 0.368 0.000 0.982 621 D CA 1.456 55.668 54.000 0.353 0.000 0.828 621 D CB -0.056 40.945 40.800 0.336 0.000 0.967 621 D HN 0.408 nan 8.370 nan 0.000 0.464 622 M N -0.777 119.098 119.600 0.458 0.000 2.080 622 M HA -0.122 4.359 4.480 0.001 0.000 0.260 622 M C 2.045 178.717 176.300 0.620 0.000 1.068 622 M CA 1.246 56.903 55.300 0.595 0.000 1.109 622 M CB -0.405 32.586 32.600 0.652 0.000 1.342 622 M HN 0.045 nan 8.290 nan 0.000 0.405 623 F N 0.133 120.351 119.950 0.448 0.000 2.060 623 F HA -0.231 4.297 4.527 0.001 0.000 0.295 623 F C 2.529 178.518 175.800 0.314 0.000 1.120 623 F CA 2.249 60.499 58.000 0.417 0.000 1.205 623 F CB -0.742 38.427 39.000 0.280 0.000 0.986 623 F HN 0.132 nan 8.300 nan 0.000 0.470 624 H N -0.461 118.631 119.070 0.037 0.000 2.353 624 H HA -0.092 4.465 4.556 0.001 0.000 0.300 624 H C 2.139 177.390 175.328 -0.128 0.000 1.090 624 H CA 2.493 58.465 56.048 -0.127 0.000 1.327 624 H CB -0.579 29.221 29.762 0.063 0.000 1.383 624 H HN 0.272 nan 8.280 nan 0.000 0.508 625 T N 0.783 115.309 114.554 -0.047 0.000 2.746 625 T HA -0.071 4.280 4.350 0.001 0.000 0.267 625 T C 1.889 176.435 174.700 -0.256 0.000 1.039 625 T CA 1.283 63.297 62.100 -0.142 0.000 1.142 625 T CB 0.149 68.997 68.868 -0.034 0.000 0.866 625 T HN 0.232 nan 8.240 nan 0.000 0.444 626 R N -0.244 120.100 120.500 -0.260 0.000 2.064 626 R HA 0.318 4.659 4.340 0.001 0.000 0.210 626 R C 2.152 178.217 176.300 -0.392 0.000 1.221 626 R CA 0.619 56.471 56.100 -0.413 0.000 1.055 626 R CB -1.141 28.741 30.300 -0.698 0.000 0.946 626 R HN 0.385 nan 8.270 nan 0.000 0.459 627 F N 1.691 121.500 119.950 -0.234 0.000 2.186 627 F HA -0.080 4.448 4.527 0.001 0.000 0.299 627 F C 2.356 177.848 175.800 -0.514 0.000 1.090 627 F CA 1.108 58.925 58.000 -0.306 0.000 1.307 627 F CB -0.055 38.794 39.000 -0.252 0.000 1.019 627 F HN -0.047 nan 8.300 nan 0.000 0.489 628 K N -0.002 120.053 120.400 -0.575 0.000 2.217 628 K HA -0.086 4.234 4.320 0.001 0.000 0.202 628 K C 1.905 178.303 176.600 -0.337 0.000 1.051 628 K CA 1.024 57.005 56.287 -0.511 0.000 0.952 628 K CB -0.088 32.081 32.500 -0.553 0.000 0.736 628 K HN 0.060 nan 8.250 nan 0.000 0.453 629 Q N 0.032 119.624 119.800 -0.346 0.000 2.163 629 Q HA -0.004 4.336 4.340 0.001 0.000 0.198 629 Q C 1.139 177.029 176.000 -0.183 0.000 0.954 629 Q CA 1.247 56.894 55.803 -0.260 0.000 0.851 629 Q CB 0.250 28.826 28.738 -0.270 0.000 0.928 629 Q HN 0.461 nan 8.270 nan 0.000 0.459 630 E N -0.339 119.750 120.200 -0.185 0.000 2.472 630 E HA 0.308 4.658 4.350 0.001 0.000 0.196 630 E C -0.191 176.363 176.600 -0.077 0.000 1.033 630 E CA 0.245 56.565 56.400 -0.133 0.000 0.886 630 E CB 0.837 30.439 29.700 -0.163 0.000 0.944 630 E HN 0.292 nan 8.360 nan 0.000 0.492 631 G N 0.538 109.299 108.800 -0.065 0.000 3.220 631 G HA2 -0.154 3.807 3.960 0.001 0.000 0.636 631 G HA3 -0.154 3.807 3.960 0.001 0.000 0.636 631 G C 0.379 175.331 174.900 0.087 0.000 1.226 631 G CA -0.613 44.485 45.100 -0.003 0.000 1.177 631 G HN 0.001 nan 8.290 nan 0.000 0.527 632 V N 2.013 121.938 119.914 0.019 0.000 2.527 632 V HA -0.167 3.953 4.120 0.001 0.000 0.255 632 V C 2.275 178.495 176.094 0.210 0.000 1.081 632 V CA 2.312 64.604 62.300 -0.012 0.000 1.092 632 V CB -0.333 31.348 31.823 -0.236 0.000 0.673 632 V HN 0.659 nan 8.190 nan 0.000 0.470 633 L N -0.318 121.026 121.223 0.202 0.000 3.122 633 L HA 0.305 4.646 4.340 0.001 0.000 0.274 633 L C 0.617 177.618 176.870 0.219 0.000 1.222 633 L CA -0.204 54.792 54.840 0.261 0.000 1.028 633 L CB 0.052 42.215 42.059 0.174 0.000 1.386 633 L HN 0.259 nan 8.230 nan 0.000 0.578 634 N N 0.918 119.747 118.700 0.215 0.000 2.475 634 N HA -0.039 4.701 4.740 0.001 0.000 0.267 634 N C 1.200 176.819 175.510 0.182 0.000 1.169 634 N CA 0.485 53.623 53.050 0.146 0.000 0.947 634 N CB 1.563 40.100 38.487 0.083 0.000 1.061 634 N HN 0.198 nan 8.380 nan 0.000 0.466 635 S N 4.080 119.862 115.700 0.137 0.000 2.402 635 S HA -0.084 4.386 4.470 0.001 0.000 0.229 635 S C 1.490 176.165 174.600 0.124 0.000 1.021 635 S CA 0.736 59.020 58.200 0.140 0.000 0.974 635 S CB 0.003 63.263 63.200 0.100 0.000 0.800 635 S HN 0.615 nan 8.310 nan 0.000 0.484 636 K N 0.870 121.318 120.400 0.081 0.000 2.032 636 K HA -0.038 4.282 4.320 0.001 0.000 0.209 636 K C 2.119 178.750 176.600 0.051 0.000 1.048 636 K CA 1.648 57.968 56.287 0.055 0.000 0.927 636 K CB -0.582 31.930 32.500 0.020 0.000 0.712 636 K HN 0.308 nan 8.250 nan 0.000 0.441 637 V N 0.617 120.537 119.914 0.009 0.000 2.358 637 V HA -0.161 3.959 4.120 0.001 0.000 0.246 637 V C 2.390 178.512 176.094 0.046 0.000 1.047 637 V CA 2.134 64.364 62.300 -0.118 0.000 1.035 637 V CB -1.039 30.535 31.823 -0.415 0.000 0.658 637 V HN 0.493 nan 8.190 nan 0.000 0.452 638 G N -0.190 108.774 108.800 0.273 0.000 2.442 638 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 638 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 638 G C 1.509 176.633 174.900 0.373 0.000 1.141 638 G CA 1.070 46.465 45.100 0.491 0.000 0.763 638 G HN 0.330 nan 8.290 nan 0.000 0.554 639 M N 0.914 120.656 119.600 0.236 0.000 2.254 639 M HA 0.040 4.521 4.480 0.001 0.000 0.265 639 M C 1.788 178.196 176.300 0.180 0.000 1.066 639 M CA 0.697 56.106 55.300 0.181 0.000 1.123 639 M CB -0.783 31.892 32.600 0.124 0.000 1.388 639 M HN 0.090 nan 8.290 nan 0.000 0.425 640 D N -0.850 119.674 120.400 0.208 0.000 2.149 640 D HA -0.149 4.492 4.640 0.001 0.000 0.201 640 D C 1.866 178.362 176.300 0.327 0.000 0.972 640 D CA 0.906 55.050 54.000 0.240 0.000 0.835 640 D CB -0.328 40.608 40.800 0.225 0.000 0.966 640 D HN 0.387 nan 8.370 nan 0.000 0.476 641 Y N 1.926 122.372 120.300 0.243 0.000 2.145 641 Y HA -0.162 4.388 4.550 0.001 0.000 0.286 641 Y C 2.408 178.294 175.900 -0.024 0.000 1.145 641 Y CA 1.708 59.812 58.100 0.006 0.000 1.148 641 Y CB -0.162 38.454 38.460 0.259 0.000 0.981 641 Y HN -0.210 nan 8.280 nan 0.000 0.507 642 R N -0.479 120.042 120.500 0.035 0.000 2.091 642 R HA -0.179 4.161 4.340 0.001 0.000 0.238 642 R C 2.631 178.877 176.300 -0.090 0.000 1.136 642 R CA 1.758 57.807 56.100 -0.084 0.000 0.959 642 R CB -0.677 29.669 30.300 0.076 0.000 0.856 642 R HN 0.398 nan 8.270 nan 0.000 0.437 643 S N -0.829 114.871 115.700 -0.001 0.000 2.357 643 S HA -0.101 4.370 4.470 0.001 0.000 0.221 643 S C 1.969 176.566 174.600 -0.006 0.000 1.031 643 S CA 1.214 59.423 58.200 0.015 0.000 0.982 643 S CB -0.213 63.022 63.200 0.058 0.000 0.853 643 S HN 0.613 nan 8.310 nan 0.000 0.458 644 C N 0.879 120.179 119.300 -0.000 0.000 2.485 644 C HA 0.322 4.782 4.460 0.001 0.000 0.278 644 C C 2.287 177.221 174.990 -0.094 0.000 1.356 644 C CA -0.147 58.876 59.018 0.010 0.000 1.747 644 C CB -0.917 26.922 27.740 0.165 0.000 2.001 644 C HN 0.561 nan 8.230 nan 0.000 0.501 645 I N 0.141 120.544 120.570 -0.279 0.000 3.039 645 I HA 0.102 4.272 4.170 0.001 0.000 0.270 645 I C 2.108 178.021 176.117 -0.340 0.000 1.150 645 I CA 1.274 62.376 61.300 -0.329 0.000 1.448 645 I CB -1.141 36.507 38.000 -0.586 0.000 1.197 645 I HN 0.252 nan 8.210 nan 0.000 0.450 646 L N 0.131 121.084 121.223 -0.450 0.000 2.145 646 L HA 0.054 4.394 4.340 0.001 0.000 0.201 646 L C 2.690 179.553 176.870 -0.012 0.000 1.075 646 L CA 0.587 55.246 54.840 -0.301 0.000 0.773 646 L CB -0.586 41.273 42.059 -0.333 0.000 0.936 646 L HN 0.130 nan 8.230 nan 0.000 0.451 647 R N 0.875 121.354 120.500 -0.034 0.000 2.103 647 R HA -0.178 4.163 4.340 0.001 0.000 0.242 647 R C -0.544 175.793 176.300 0.061 0.000 1.142 647 R CA 1.852 57.968 56.100 0.028 0.000 0.960 647 R CB -0.999 29.311 30.300 0.018 0.000 0.858 647 R HN 0.251 nan 8.270 nan 0.000 0.439 648 P HA 0.059 nan 4.420 nan 0.000 0.223 648 P C 0.641 178.004 177.300 0.106 0.000 1.151 648 P CA 1.385 64.523 63.100 0.063 0.000 0.787 648 P CB 0.017 31.732 31.700 0.025 0.000 0.788 649 G N -0.266 108.636 108.800 0.169 0.000 2.582 649 G HA2 -0.246 3.715 3.960 0.001 0.000 0.288 649 G HA3 -0.246 3.715 3.960 0.001 0.000 0.288 649 G C 1.001 175.997 174.900 0.160 0.000 1.247 649 G CA -0.054 45.156 45.100 0.182 0.000 0.972 649 G HN 0.396 nan 8.290 nan 0.000 0.557 650 G N -0.727 108.174 108.800 0.168 0.000 3.262 650 G HA2 0.390 4.351 3.960 0.001 0.000 0.228 650 G HA3 0.390 4.351 3.960 0.001 0.000 0.228 650 G C 1.435 176.167 174.900 -0.281 0.000 1.197 650 G CA 1.377 46.522 45.100 0.075 0.000 0.819 650 G HN 0.934 nan 8.290 nan 0.000 0.531 651 S N -0.056 115.527 115.700 -0.195 0.000 2.522 651 S HA 0.096 4.567 4.470 0.001 0.000 0.227 651 S C 0.680 175.088 174.600 -0.321 0.000 0.986 651 S CA 0.495 58.473 58.200 -0.371 0.000 0.929 651 S CB 0.187 63.371 63.200 -0.026 0.000 0.769 651 S HN 0.610 nan 8.310 nan 0.000 0.529 652 E N 0.656 120.728 120.200 -0.214 0.000 2.340 652 E HA 0.291 4.641 4.350 0.001 0.000 0.273 652 E C -1.704 174.800 176.600 -0.161 0.000 0.891 652 E CA -0.893 55.410 56.400 -0.163 0.000 0.757 652 E CB 1.139 30.782 29.700 -0.095 0.000 1.231 652 E HN -0.018 nan 8.360 nan 0.000 0.439 653 D N 0.987 121.296 120.400 -0.151 0.000 2.399 653 D HA 0.071 4.711 4.640 0.001 0.000 0.241 653 D C 0.854 177.030 176.300 -0.206 0.000 1.133 653 D CA 0.171 54.081 54.000 -0.150 0.000 0.890 653 D CB 1.205 41.935 40.800 -0.116 0.000 1.201 653 D HN 0.580 nan 8.370 nan 0.000 0.432 654 A N 2.070 124.715 122.820 -0.292 0.000 1.940 654 A HA -0.218 4.103 4.320 0.001 0.000 0.219 654 A C 2.117 179.438 177.584 -0.437 0.000 1.176 654 A CA 2.230 53.883 52.037 -0.639 0.000 0.631 654 A CB -0.709 17.755 19.000 -0.894 0.000 0.814 654 A HN 0.595 nan 8.150 nan 0.000 0.446 655 S N 0.209 115.775 115.700 -0.223 0.000 2.383 655 S HA -0.023 4.448 4.470 0.001 0.000 0.229 655 S C 2.062 176.599 174.600 -0.105 0.000 1.030 655 S CA 1.472 59.596 58.200 -0.128 0.000 1.002 655 S CB -0.701 62.464 63.200 -0.058 0.000 0.829 655 S HN 0.937 nan 8.310 nan 0.000 0.467 656 A N 1.917 124.673 122.820 -0.106 0.000 1.897 656 A HA 0.190 4.510 4.320 0.001 0.000 0.215 656 A C 2.384 179.934 177.584 -0.056 0.000 1.181 656 A CA 1.434 53.429 52.037 -0.069 0.000 0.620 656 A CB -0.700 18.260 19.000 -0.067 0.000 0.821 656 A HN 0.568 nan 8.150 nan 0.000 0.443 657 M N -0.654 118.887 119.600 -0.098 0.000 2.117 657 M HA -0.082 4.399 4.480 0.001 0.000 0.262 657 M C 2.118 178.434 176.300 0.027 0.000 1.065 657 M CA 1.313 56.580 55.300 -0.055 0.000 1.114 657 M CB -0.479 32.051 32.600 -0.117 0.000 1.361 657 M HN 0.361 nan 8.290 nan 0.000 0.408 658 L N -0.648 120.564 121.223 -0.018 0.000 2.056 658 L HA -0.190 4.151 4.340 0.001 0.000 0.207 658 L C 2.707 179.643 176.870 0.110 0.000 1.078 658 L CA 1.177 56.079 54.840 0.105 0.000 0.749 658 L CB -0.580 41.497 42.059 0.031 0.000 0.901 658 L HN 0.307 nan 8.230 nan 0.000 0.433 659 R N 0.245 120.765 120.500 0.033 0.000 2.081 659 R HA -0.164 4.177 4.340 0.001 0.000 0.235 659 R C 2.459 178.788 176.300 0.048 0.000 1.131 659 R CA 1.410 57.525 56.100 0.025 0.000 0.960 659 R CB -0.016 30.283 30.300 -0.002 0.000 0.856 659 R HN 0.295 nan 8.270 nan 0.000 0.436 660 R N -0.848 119.693 120.500 0.069 0.000 2.066 660 R HA -0.123 4.217 4.340 0.001 0.000 0.232 660 R C 2.201 178.583 176.300 0.138 0.000 1.131 660 R CA 1.442 57.591 56.100 0.082 0.000 0.955 660 R CB -0.467 29.880 30.300 0.078 0.000 0.851 660 R HN 0.207 nan 8.270 nan 0.000 0.432 661 F N 1.476 121.443 119.950 0.029 0.000 2.146 661 F HA -0.074 4.454 4.527 0.001 0.000 0.298 661 F C 1.813 177.638 175.800 0.042 0.000 1.096 661 F CA 1.361 59.393 58.000 0.054 0.000 1.275 661 F CB -0.055 39.015 39.000 0.116 0.000 1.008 661 F HN -0.116 nan 8.300 nan 0.000 0.480 662 L N -1.022 120.216 121.223 0.025 0.000 2.249 662 L HA 0.204 4.545 4.340 0.001 0.000 0.207 662 L C 1.957 178.781 176.870 -0.078 0.000 1.090 662 L CA 0.818 55.609 54.840 -0.081 0.000 0.802 662 L CB -0.789 41.292 42.059 0.036 0.000 0.947 662 L HN 0.349 nan 8.230 nan 0.000 0.453 663 G N 1.114 109.895 108.800 -0.032 0.000 2.157 663 G HA2 -0.256 3.704 3.960 0.001 0.000 0.239 663 G HA3 -0.256 3.704 3.960 0.001 0.000 0.239 663 G C 0.285 175.175 174.900 -0.017 0.000 0.982 663 G CA 0.377 45.458 45.100 -0.031 0.000 0.650 663 G HN 0.536 nan 8.290 nan 0.000 0.527 664 R N -1.421 119.075 120.500 -0.007 0.000 2.752 664 R HA 0.531 4.872 4.340 0.001 0.000 0.277 664 R C -1.781 174.517 176.300 -0.004 0.000 1.024 664 R CA -0.997 55.101 56.100 -0.003 0.000 0.866 664 R CB 0.117 30.416 30.300 -0.002 0.000 1.278 664 R HN -0.043 nan 8.270 nan 0.000 0.473 665 D N 2.133 122.526 120.400 -0.012 0.000 2.362 665 D HA 0.238 4.878 4.640 0.001 0.000 0.242 665 D C -1.919 174.350 176.300 -0.052 0.000 1.132 665 D CA -0.880 53.096 54.000 -0.040 0.000 0.907 665 D CB 0.799 41.577 40.800 -0.037 0.000 1.195 665 D HN 0.298 nan 8.370 nan 0.000 0.429 666 P HA 0.143 nan 4.420 nan 0.000 0.272 666 P C -0.633 176.635 177.300 -0.053 0.000 1.223 666 P CA -0.183 62.827 63.100 -0.150 0.000 0.784 666 P CB 1.308 32.725 31.700 -0.471 0.000 0.923 667 K N 0.865 121.363 120.400 0.163 0.000 2.433 667 K HA 0.267 4.588 4.320 0.001 0.000 0.252 667 K C 1.080 177.876 176.600 0.327 0.000 1.015 667 K CA -0.707 55.724 56.287 0.240 0.000 0.860 667 K CB 1.649 34.234 32.500 0.143 0.000 1.359 667 K HN 0.309 nan 8.250 nan 0.000 0.452 668 Q N 0.488 120.420 119.800 0.220 0.000 2.432 668 Q HA -0.069 4.272 4.340 0.001 0.000 0.205 668 Q C 0.240 176.338 176.000 0.163 0.000 0.945 668 Q CA 0.743 56.626 55.803 0.134 0.000 0.924 668 Q CB 0.110 28.854 28.738 0.010 0.000 1.016 668 Q HN 0.519 nan 8.270 nan 0.000 0.503 669 D N 1.792 122.274 120.400 0.137 0.000 2.154 669 D HA -0.246 4.395 4.640 0.001 0.000 0.190 669 D C 1.837 178.192 176.300 0.092 0.000 1.003 669 D CA 1.893 55.953 54.000 0.101 0.000 0.849 669 D CB -0.271 40.584 40.800 0.091 0.000 0.942 669 D HN 0.309 nan 8.370 nan 0.000 0.446 670 A N -0.036 122.863 122.820 0.133 0.000 1.883 670 A HA -0.200 4.120 4.320 0.001 0.000 0.217 670 A C 2.159 179.792 177.584 0.082 0.000 1.186 670 A CA 1.459 53.546 52.037 0.084 0.000 0.624 670 A CB -1.107 18.018 19.000 0.209 0.000 0.822 670 A HN 0.280 nan 8.150 nan 0.000 0.444 671 F N 0.696 120.659 119.950 0.022 0.000 2.069 671 F HA -0.178 4.350 4.527 0.001 0.000 0.298 671 F C 1.986 177.766 175.800 -0.033 0.000 1.113 671 F CA 1.928 59.929 58.000 0.001 0.000 1.214 671 F CB -0.359 38.641 39.000 -0.000 0.000 0.978 671 F HN 0.157 nan 8.300 nan 0.000 0.474 672 L N -0.316 120.933 121.223 0.043 0.000 2.017 672 L HA -0.260 4.081 4.340 0.001 0.000 0.208 672 L C 2.546 179.333 176.870 -0.138 0.000 1.073 672 L CA 1.275 56.074 54.840 -0.069 0.000 0.745 672 L CB -0.984 41.087 42.059 0.019 0.000 0.894 672 L HN 0.218 nan 8.230 nan 0.000 0.432 673 L N -0.075 121.081 121.223 -0.112 0.000 2.083 673 L HA -0.202 4.139 4.340 0.001 0.000 0.209 673 L C 2.891 179.650 176.870 -0.185 0.000 1.083 673 L CA 1.613 56.370 54.840 -0.139 0.000 0.752 673 L CB -0.649 41.313 42.059 -0.163 0.000 0.899 673 L HN 0.438 nan 8.230 nan 0.000 0.433 674 S N -0.831 114.733 115.700 -0.227 0.000 2.442 674 S HA -0.118 4.353 4.470 0.001 0.000 0.236 674 S C 1.730 176.169 174.600 -0.269 0.000 1.007 674 S CA 0.674 58.732 58.200 -0.237 0.000 0.965 674 S CB -0.146 62.916 63.200 -0.230 0.000 0.773 674 S HN 0.302 nan 8.310 nan 0.000 0.504 675 K N 0.727 120.944 120.400 -0.305 0.000 2.393 675 K HA 0.283 4.603 4.320 0.001 0.000 0.193 675 K C 1.388 177.888 176.600 -0.167 0.000 1.026 675 K CA 0.620 56.744 56.287 -0.272 0.000 1.064 675 K CB -0.304 32.002 32.500 -0.323 0.000 0.833 675 K HN 0.597 nan 8.250 nan 0.000 0.521 676 G N 1.492 110.206 108.800 -0.143 0.000 2.132 676 G HA2 -0.236 3.725 3.960 0.001 0.000 0.234 676 G HA3 -0.236 3.725 3.960 0.001 0.000 0.234 676 G C 0.096 174.950 174.900 -0.077 0.000 0.989 676 G CA 0.047 45.089 45.100 -0.096 0.000 0.676 676 G HN 0.182 nan 8.290 nan 0.000 0.522 677 L N 0.000 121.172 121.223 -0.085 0.000 2.949 677 L HA 0.000 4.341 4.340 0.001 0.000 0.249 677 L CA 0.000 54.805 54.840 -0.058 0.000 0.813 677 L CB 0.000 42.025 42.059 -0.056 0.000 0.961 677 L HN 0.000 nan 8.230 nan 0.000 0.502