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 1lwo_1_A DATA FIRST_RESID 5 DATA SEQUENCE SDQEKRKQIX VRGLAGVENV TELKKNFNRH LHFTLVKDRN VATPRDYYFA DATA SEQUENCE LAHTVRDHLV GRWIRTQQHY YEKDPKRIYY LSLEFYMGRT LQNTMVNLAL DATA SEQUENCE ENACDEATYQ LGLDMEELEE IEEDAGLGNG GLGRLAACFL DSMATLGLAA DATA SEQUENCE YGYGIRYEFG IFNQKICGGW QMEEADDWLR YGNPWEKARP EFTLPVHFYG DATA SEQUENCE RVEHTSQGAK WVDTQVVLAM PYDTPVPGYR NNVVNTMRLW SAKAPNDXXX DATA SEQUENCE XXXXXXGYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKSS XXXXXXXXXX NFDAFPDKVA IQLNDTHPSL AIPELMRVLV DATA SEQUENCE DLERLDWDKA WEVTVKTCAY TNHTVLPEAL ERWPVHLLET LLPRHLQIIY DATA SEQUENCE EINQRFLNRV AAAFPGDVDR LRRMSLVEEG AVKRINMAHL CIAGSHAVNG DATA SEQUENCE VARIHSEILK KTIFKDFYEL EPHKFQNKTN GITPRRWLVL CNPGLAEIIA DATA SEQUENCE ERIGEEYISD LDQLRKLLSY VDDEAFIRDV AKVKQENKLK FAAYLEREYK DATA SEQUENCE VHINPNSLFD VQVKRIHEYK RQLLNCLHVI TLYNRIKKEP NKFVVPRTVM DATA SEQUENCE IGGKAAPGYH MAKMIIKLIT AIGDVVNHDP VVGDRLRVIF LENYRVSLAE DATA SEQUENCE KVIPAADLSE QISTAGTEAS GTGNMKFMLN GALTIGTMDG ANVEMAEEAG DATA SEQUENCE EENFFIFGMR VEDVDRLDQR GYNAQEYYDR IPELRQIIEQ LSSGFFSPKQ DATA SEQUENCE PDLFKDIVNM LMHHDRFKVF ADYEEYVKCQ ERVSALYKNP REWTRMVIRN DATA SEQUENCE IATSGKFSSD RTIAQYAREI WGVEPSRQRL PAPD 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.598 174.600 -0.004 0.000 1.055 5 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 5 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 6 D N 3.379 123.776 120.400 -0.004 0.000 2.349 6 D HA 0.107 4.736 4.640 -0.020 0.000 0.266 6 D C 1.157 177.455 176.300 -0.003 0.000 1.293 6 D CA 0.181 54.179 54.000 -0.003 0.000 0.926 6 D CB 1.028 41.826 40.800 -0.003 0.000 1.090 6 D HN 0.492 nan 8.370 nan 0.000 0.502 7 Q N 2.377 122.176 119.800 -0.002 0.000 2.437 7 Q HA -0.101 4.228 4.340 -0.020 0.000 0.210 7 Q C 1.069 177.069 176.000 -0.000 0.000 0.972 7 Q CA 0.662 56.464 55.803 -0.001 0.000 0.903 7 Q CB 0.331 29.069 28.738 0.000 0.000 0.967 7 Q HN 0.569 nan 8.270 nan 0.000 0.486 8 E N 0.410 120.611 120.200 0.000 0.000 2.358 8 E HA -0.062 4.276 4.350 -0.020 0.000 0.195 8 E C 1.479 178.079 176.600 -0.000 0.000 1.010 8 E CA 0.424 56.825 56.400 0.001 0.000 0.856 8 E CB 0.164 29.865 29.700 0.002 0.000 0.795 8 E HN 0.354 nan 8.360 nan 0.000 0.504 9 K N 0.348 120.747 120.400 -0.002 0.000 2.155 9 K HA 0.008 4.316 4.320 -0.020 0.000 0.203 9 K C 1.873 178.471 176.600 -0.004 0.000 1.052 9 K CA 0.532 56.817 56.287 -0.003 0.000 0.948 9 K CB 0.023 32.520 32.500 -0.005 0.000 0.728 9 K HN -0.057 nan 8.250 nan 0.000 0.448 10 R N 0.879 121.376 120.500 -0.005 0.000 2.339 10 R HA -0.003 4.325 4.340 -0.020 0.000 0.199 10 R C 1.395 177.692 176.300 -0.004 0.000 1.018 10 R CA 0.453 56.550 56.100 -0.006 0.000 1.036 10 R CB 0.111 30.406 30.300 -0.007 0.000 0.899 10 R HN 0.101 nan 8.270 nan 0.000 0.473 11 K N 0.259 120.658 120.400 -0.001 0.000 2.418 11 K HA -0.058 4.250 4.320 -0.020 0.000 0.195 11 K C 1.506 178.106 176.600 0.001 0.000 1.035 11 K CA 0.565 56.853 56.287 0.002 0.000 1.003 11 K CB 0.301 32.803 32.500 0.004 0.000 0.793 11 K HN 0.279 nan 8.250 nan 0.000 0.494 12 Q N 0.439 120.238 119.800 -0.002 0.000 2.230 12 Q HA 0.015 4.343 4.340 -0.020 0.000 0.202 12 Q C 0.917 176.915 176.000 -0.004 0.000 0.963 12 Q CA 0.625 56.427 55.803 -0.002 0.000 0.866 12 Q CB 0.082 28.818 28.738 -0.004 0.000 0.931 12 Q HN 0.253 nan 8.270 nan 0.000 0.452 16 R N 1.813 122.319 120.500 0.010 0.000 2.133 16 R HA -0.020 4.308 4.340 -0.020 0.000 0.247 16 R C 1.279 177.586 176.300 0.012 0.000 1.151 16 R CA 1.847 57.954 56.100 0.011 0.000 0.971 16 R CB -0.378 29.928 30.300 0.010 0.000 0.866 16 R HN 0.725 nan 8.270 nan 0.000 0.447 17 G N -1.635 107.171 108.800 0.010 0.000 4.079 17 G HA2 0.365 4.313 3.960 -0.020 0.000 0.271 17 G HA3 0.365 4.313 3.960 -0.020 0.000 0.271 17 G C -0.324 174.582 174.900 0.009 0.000 1.144 17 G CA -0.520 44.587 45.100 0.012 0.000 0.700 17 G HN 0.040 nan 8.290 nan 0.000 0.500 18 L N 1.508 122.735 121.223 0.006 0.000 2.864 18 L HA 0.478 4.806 4.340 -0.020 0.000 0.177 18 L C 2.843 179.707 176.870 -0.011 0.000 1.341 18 L CA 1.661 56.500 54.840 -0.002 0.000 0.892 18 L CB -1.146 40.910 42.059 -0.004 0.000 1.290 18 L HN 0.331 nan 8.230 nan 0.000 0.545 19 A N -0.306 122.489 122.820 -0.042 0.000 2.093 19 A HA 0.183 4.491 4.320 -0.020 0.000 0.222 19 A C 1.267 178.844 177.584 -0.013 0.000 1.162 19 A CA 1.372 53.347 52.037 -0.104 0.000 0.655 19 A CB -1.355 17.467 19.000 -0.296 0.000 0.805 19 A HN 0.827 nan 8.150 nan 0.000 0.461 20 G N -2.647 106.171 108.800 0.029 0.000 2.829 20 G HA2 0.003 3.951 3.960 -0.020 0.000 0.628 20 G HA3 0.003 3.951 3.960 -0.020 0.000 0.628 20 G C -0.215 174.749 174.900 0.107 0.000 1.412 20 G CA -0.531 44.606 45.100 0.062 0.000 0.864 20 G HN 1.000 nan 8.290 nan 0.000 0.544 21 V N 0.208 120.177 119.914 0.091 0.000 3.096 21 V HA 0.226 4.334 4.120 -0.020 0.000 0.306 21 V C 1.237 177.406 176.094 0.125 0.000 1.088 21 V CA 0.800 63.156 62.300 0.092 0.000 1.129 21 V CB 1.295 33.150 31.823 0.054 0.000 1.014 21 V HN 0.723 nan 8.190 nan 0.000 0.486 22 E N 3.011 123.260 120.200 0.081 0.000 2.261 22 E HA 0.116 4.454 4.350 -0.020 0.000 0.308 22 E C -0.151 176.446 176.600 -0.004 0.000 1.400 22 E CA -0.240 56.166 56.400 0.010 0.000 1.542 22 E CB -0.325 29.319 29.700 -0.092 0.000 1.369 22 E HN 0.688 nan 8.360 nan 0.000 0.493 23 N N -1.366 117.352 118.700 0.030 0.000 2.457 23 N HA 0.105 4.833 4.740 -0.020 0.000 0.290 23 N C 0.743 176.271 175.510 0.031 0.000 1.232 23 N CA -0.781 52.281 53.050 0.021 0.000 0.852 23 N CB 1.071 39.573 38.487 0.025 0.000 1.313 23 N HN -0.114 nan 8.380 nan 0.000 0.522 24 V N 0.433 120.360 119.914 0.022 0.000 2.392 24 V HA -0.232 3.877 4.120 -0.020 0.000 0.249 24 V C 2.150 178.267 176.094 0.039 0.000 1.059 24 V CA 2.388 64.703 62.300 0.026 0.000 1.051 24 V CB -1.118 30.715 31.823 0.017 0.000 0.658 24 V HN 0.811 nan 8.190 nan 0.000 0.455 25 T N -0.596 113.980 114.554 0.038 0.000 2.708 25 T HA -0.173 4.165 4.350 -0.020 0.000 0.266 25 T C 1.916 176.652 174.700 0.060 0.000 1.037 25 T CA 1.482 63.607 62.100 0.041 0.000 1.146 25 T CB -0.238 68.650 68.868 0.034 0.000 0.865 25 T HN 0.442 nan 8.240 nan 0.000 0.435 26 E N 0.694 120.937 120.200 0.072 0.000 2.150 26 E HA 0.006 4.345 4.350 -0.020 0.000 0.193 26 E C 2.194 178.874 176.600 0.133 0.000 0.985 26 E CA 0.455 56.912 56.400 0.095 0.000 0.814 26 E CB -0.391 29.372 29.700 0.105 0.000 0.752 26 E HN 0.269 nan 8.360 nan 0.000 0.466 27 L N 1.347 122.654 121.223 0.140 0.000 2.046 27 L HA -0.150 4.178 4.340 -0.020 0.000 0.208 27 L C 2.079 179.064 176.870 0.193 0.000 1.077 27 L CA 1.698 56.647 54.840 0.181 0.000 0.747 27 L CB -0.569 41.568 42.059 0.130 0.000 0.896 27 L HN 0.011 nan 8.230 nan 0.000 0.432 28 K N -0.963 119.513 120.400 0.128 0.000 2.057 28 K HA -0.198 4.111 4.320 -0.020 0.000 0.207 28 K C 2.102 178.811 176.600 0.182 0.000 1.049 28 K CA 1.140 57.502 56.287 0.125 0.000 0.931 28 K CB -0.035 32.493 32.500 0.048 0.000 0.714 28 K HN 0.030 nan 8.250 nan 0.000 0.440 29 K N 1.079 121.556 120.400 0.129 0.000 2.032 29 K HA -0.125 4.184 4.320 -0.020 0.000 0.209 29 K C 1.561 178.229 176.600 0.113 0.000 1.048 29 K CA 1.837 58.184 56.287 0.099 0.000 0.927 29 K CB -0.288 32.252 32.500 0.067 0.000 0.712 29 K HN 0.181 nan 8.250 nan 0.000 0.441 30 N N -0.843 117.948 118.700 0.152 0.000 2.244 30 N HA -0.085 4.643 4.740 -0.020 0.000 0.183 30 N C 1.440 177.103 175.510 0.256 0.000 1.016 30 N CA 0.713 53.857 53.050 0.158 0.000 0.866 30 N CB -0.152 38.466 38.487 0.218 0.000 0.980 30 N HN 0.084 nan 8.380 nan 0.000 0.430 31 F N 1.888 121.935 119.950 0.162 0.000 2.102 31 F HA -0.135 4.380 4.527 -0.019 0.000 0.298 31 F C 2.145 178.028 175.800 0.139 0.000 1.105 31 F CA 1.268 59.371 58.000 0.172 0.000 1.239 31 F CB -0.228 38.847 39.000 0.125 0.000 0.991 31 F HN 0.017 nan 8.300 nan 0.000 0.474 32 N N 0.751 119.638 118.700 0.311 0.000 2.069 32 N HA -0.238 4.491 4.740 -0.020 0.000 0.191 32 N C 2.173 177.707 175.510 0.039 0.000 1.031 32 N CA 1.463 54.637 53.050 0.207 0.000 0.852 32 N CB -0.487 38.112 38.487 0.186 0.000 1.018 32 N HN 0.351 nan 8.380 nan 0.000 0.423 33 R N 0.000 120.456 120.500 -0.073 0.000 2.096 33 R HA -0.157 4.171 4.340 -0.020 0.000 0.240 33 R C 2.029 178.185 176.300 -0.240 0.000 1.139 33 R CA 1.435 57.386 56.100 -0.249 0.000 0.952 33 R CB -0.269 29.904 30.300 -0.212 0.000 0.854 33 R HN 0.411 nan 8.270 nan 0.000 0.436 34 H N 0.100 119.103 119.070 -0.112 0.000 2.357 34 H HA -0.124 4.420 4.556 -0.020 0.000 0.301 34 H C 2.078 177.246 175.328 -0.265 0.000 1.082 34 H CA 1.491 57.431 56.048 -0.180 0.000 1.342 34 H CB -0.170 29.482 29.762 -0.184 0.000 1.389 34 H HN 0.193 nan 8.280 nan 0.000 0.511 35 L N 0.594 121.672 121.223 -0.240 0.000 2.042 35 L HA -0.193 4.136 4.340 -0.020 0.000 0.210 35 L C 2.356 178.997 176.870 -0.382 0.000 1.076 35 L CA 1.745 56.364 54.840 -0.369 0.000 0.749 35 L CB -0.461 41.337 42.059 -0.436 0.000 0.893 35 L HN 0.291 nan 8.230 nan 0.000 0.432 36 H N -1.990 116.964 119.070 -0.194 0.000 2.300 36 H HA -0.000 4.544 4.556 -0.020 0.000 0.312 36 H C 2.156 177.467 175.328 -0.028 0.000 1.057 36 H CA 1.621 57.562 56.048 -0.179 0.000 1.380 36 H CB -0.360 29.187 29.762 -0.360 0.000 1.424 36 H HN 0.232 nan 8.280 nan 0.000 0.534 37 F N 1.445 121.411 119.950 0.026 0.000 2.146 37 F HA -0.101 4.415 4.527 -0.020 0.000 0.298 37 F C 2.645 178.386 175.800 -0.099 0.000 1.096 37 F CA 1.050 59.021 58.000 -0.049 0.000 1.275 37 F CB -1.072 37.880 39.000 -0.080 0.000 1.008 37 F HN 0.086 nan 8.300 nan 0.000 0.480 38 T N 0.099 114.687 114.554 0.055 0.000 2.809 38 T HA 0.004 4.342 4.350 -0.020 0.000 0.260 38 T C 2.072 176.679 174.700 -0.155 0.000 1.039 38 T CA 0.957 63.005 62.100 -0.087 0.000 1.141 38 T CB -0.375 68.399 68.868 -0.156 0.000 0.869 38 T HN 0.134 nan 8.240 nan 0.000 0.437 39 L N 1.092 122.221 121.223 -0.158 0.000 2.554 39 L HA 0.225 4.553 4.340 -0.020 0.000 0.225 39 L C 0.259 177.055 176.870 -0.124 0.000 1.104 39 L CA -0.168 54.566 54.840 -0.176 0.000 0.866 39 L CB -0.018 41.917 42.059 -0.207 0.000 1.047 39 L HN -0.026 nan 8.230 nan 0.000 0.468 40 V N 0.023 119.894 119.914 -0.071 0.000 5.949 40 V HA -0.271 3.837 4.120 -0.020 0.000 0.287 40 V C -0.099 175.955 176.094 -0.067 0.000 0.603 40 V CA 0.987 63.270 62.300 -0.028 0.000 0.608 40 V CB -2.306 29.505 31.823 -0.020 0.000 0.259 40 V HN 0.398 nan 8.190 nan 0.000 0.742 41 K N 1.042 121.363 120.400 -0.131 0.000 2.466 41 K HA 0.798 5.106 4.320 -0.020 0.000 0.260 41 K C -0.495 175.970 176.600 -0.224 0.000 1.011 41 K CA -0.319 55.872 56.287 -0.160 0.000 0.871 41 K CB 2.779 35.147 32.500 -0.220 0.000 1.404 41 K HN 0.554 nan 8.250 nan 0.000 0.450 42 D N -1.932 118.382 120.400 -0.144 0.000 2.566 42 D HA 0.220 4.848 4.640 -0.020 0.000 0.254 42 D C 0.583 176.861 176.300 -0.036 0.000 1.090 42 D CA -0.791 53.171 54.000 -0.063 0.000 1.034 42 D CB 0.702 41.567 40.800 0.109 0.000 1.434 42 D HN 0.475 nan 8.370 nan 0.000 0.509 43 R N -0.239 120.311 120.500 0.084 0.000 2.328 43 R HA 0.011 4.339 4.340 -0.020 0.000 0.207 43 R C 0.221 176.585 176.300 0.105 0.000 1.056 43 R CA 0.761 56.947 56.100 0.144 0.000 1.016 43 R CB -0.512 29.897 30.300 0.182 0.000 0.872 43 R HN 0.234 nan 8.270 nan 0.000 0.471 44 N N 0.882 119.619 118.700 0.062 0.000 2.336 44 N HA -0.065 4.664 4.740 -0.020 0.000 0.177 44 N C 1.728 177.252 175.510 0.023 0.000 1.018 44 N CA 1.581 54.659 53.050 0.047 0.000 0.878 44 N CB 0.438 38.950 38.487 0.040 0.000 0.997 44 N HN 0.332 nan 8.380 nan 0.000 0.433 45 V N -2.058 117.852 119.914 -0.006 0.000 3.643 45 V HA 0.503 4.612 4.120 -0.020 0.000 0.280 45 V C 0.903 176.954 176.094 -0.072 0.000 1.351 45 V CA -0.430 61.854 62.300 -0.025 0.000 1.073 45 V CB -0.506 31.301 31.823 -0.026 0.000 0.863 45 V HN 0.059 nan 8.190 nan 0.000 0.436 46 A N 2.256 124.997 122.820 -0.132 0.000 2.511 46 A HA 0.544 4.852 4.320 -0.020 0.000 0.242 46 A C 0.737 178.158 177.584 -0.273 0.000 1.069 46 A CA 0.806 52.654 52.037 -0.315 0.000 0.763 46 A CB -0.223 18.409 19.000 -0.613 0.000 1.001 46 A HN 0.854 nan 8.150 nan 0.000 0.498 47 T N -0.041 114.361 114.554 -0.253 0.000 2.949 47 T HA 0.611 4.949 4.350 -0.020 0.000 0.287 47 T C -2.181 172.489 174.700 -0.050 0.000 1.034 47 T CA -1.778 60.273 62.100 -0.082 0.000 1.018 47 T CB 1.348 70.203 68.868 -0.021 0.000 1.135 47 T HN 0.237 nan 8.240 nan 0.000 0.532 48 P HA -0.055 nan 4.420 nan 0.000 0.218 48 P C 1.565 178.984 177.300 0.198 0.000 1.148 48 P CA 0.826 64.079 63.100 0.255 0.000 0.822 48 P CB 0.044 31.849 31.700 0.175 0.000 0.784 49 R N 0.138 120.701 120.500 0.105 0.000 2.096 49 R HA -0.136 4.192 4.340 -0.020 0.000 0.235 49 R C 1.537 177.989 176.300 0.254 0.000 1.127 49 R CA 1.712 57.897 56.100 0.143 0.000 0.968 49 R CB -0.615 29.711 30.300 0.043 0.000 0.861 49 R HN 0.103 nan 8.270 nan 0.000 0.440 50 D N -0.362 120.094 120.400 0.093 0.000 2.144 50 D HA -0.174 4.455 4.640 -0.020 0.000 0.200 50 D C 1.664 177.961 176.300 -0.006 0.000 0.978 50 D CA 1.231 55.233 54.000 0.003 0.000 0.833 50 D CB -0.271 40.375 40.800 -0.256 0.000 0.961 50 D HN 0.303 nan 8.370 nan 0.000 0.470 51 Y N 0.043 120.430 120.300 0.145 0.000 2.293 51 Y HA -0.167 4.372 4.550 -0.019 0.000 0.291 51 Y C 2.291 178.321 175.900 0.216 0.000 1.137 51 Y CA 0.289 58.521 58.100 0.220 0.000 1.202 51 Y CB -0.996 37.643 38.460 0.299 0.000 0.990 51 Y HN 0.134 nan 8.280 nan 0.000 0.537 52 Y N -1.002 119.429 120.300 0.217 0.000 2.200 52 Y HA -0.256 4.282 4.550 -0.020 0.000 0.290 52 Y C 1.837 177.731 175.900 -0.010 0.000 1.137 52 Y CA 1.445 59.584 58.100 0.065 0.000 1.163 52 Y CB -0.777 37.617 38.460 -0.109 0.000 0.988 52 Y HN -0.018 nan 8.280 nan 0.000 0.518 53 F N 0.566 120.226 119.950 -0.484 0.000 2.186 53 F HA -0.093 4.423 4.527 -0.019 0.000 0.299 53 F C 2.615 178.234 175.800 -0.303 0.000 1.090 53 F CA 1.263 58.942 58.000 -0.534 0.000 1.307 53 F CB -0.992 37.875 39.000 -0.221 0.000 1.019 53 F HN 0.213 nan 8.300 nan 0.000 0.489 54 A N -0.286 122.472 122.820 -0.104 0.000 1.933 54 A HA -0.165 4.143 4.320 -0.020 0.000 0.218 54 A C 2.106 179.569 177.584 -0.201 0.000 1.175 54 A CA 1.588 53.435 52.037 -0.317 0.000 0.628 54 A CB -1.011 17.451 19.000 -0.898 0.000 0.814 54 A HN 0.352 nan 8.150 nan 0.000 0.444 55 L N -0.365 120.872 121.223 0.024 0.000 2.056 55 L HA 0.044 4.372 4.340 -0.020 0.000 0.207 55 L C 2.625 179.516 176.870 0.034 0.000 1.078 55 L CA 2.094 57.070 54.840 0.227 0.000 0.749 55 L CB -0.841 41.418 42.059 0.334 0.000 0.901 55 L HN 0.314 nan 8.230 nan 0.000 0.433 56 A N -1.288 121.413 122.820 -0.200 0.000 1.908 56 A HA -0.255 4.053 4.320 -0.020 0.000 0.218 56 A C 2.256 179.572 177.584 -0.447 0.000 1.181 56 A CA 1.821 53.671 52.037 -0.311 0.000 0.627 56 A CB -1.023 17.534 19.000 -0.740 0.000 0.818 56 A HN 0.680 nan 8.150 nan 0.000 0.445 57 H N -0.605 118.193 119.070 -0.452 0.000 2.423 57 H HA -0.070 4.474 4.556 -0.020 0.000 0.297 57 H C 2.244 177.245 175.328 -0.544 0.000 1.075 57 H CA 1.836 57.505 56.048 -0.633 0.000 1.342 57 H CB -0.295 28.865 29.762 -1.003 0.000 1.395 57 H HN 0.488 nan 8.280 nan 0.000 0.530 58 T N 0.482 114.933 114.554 -0.171 0.000 2.777 58 T HA -0.077 4.262 4.350 -0.020 0.000 0.266 58 T C 2.400 177.239 174.700 0.231 0.000 1.040 58 T CA 1.052 63.235 62.100 0.137 0.000 1.141 58 T CB -0.322 68.716 68.868 0.284 0.000 0.868 58 T HN 0.080 nan 8.240 nan 0.000 0.444 59 V N 1.475 121.510 119.914 0.202 0.000 2.453 59 V HA -0.104 4.004 4.120 -0.020 0.000 0.247 59 V C 2.598 178.861 176.094 0.282 0.000 1.048 59 V CA 1.536 64.003 62.300 0.279 0.000 1.049 59 V CB -0.618 31.366 31.823 0.268 0.000 0.672 59 V HN 0.361 nan 8.190 nan 0.000 0.457 60 R N 0.326 120.934 120.500 0.179 0.000 2.091 60 R HA -0.223 4.106 4.340 -0.020 0.000 0.238 60 R C 2.002 178.388 176.300 0.143 0.000 1.136 60 R CA 2.178 58.373 56.100 0.158 0.000 0.959 60 R CB -0.428 29.800 30.300 -0.119 0.000 0.856 60 R HN 0.482 nan 8.270 nan 0.000 0.437 61 D N -0.131 120.331 120.400 0.102 0.000 2.133 61 D HA -0.195 4.433 4.640 -0.020 0.000 0.195 61 D C 1.842 178.134 176.300 -0.013 0.000 0.997 61 D CA 1.337 55.365 54.000 0.047 0.000 0.840 61 D CB -0.453 40.353 40.800 0.009 0.000 0.947 61 D HN 0.493 nan 8.370 nan 0.000 0.452 62 H N -0.398 118.738 119.070 0.110 0.000 2.423 62 H HA -0.049 4.495 4.556 -0.019 0.000 0.297 62 H C 2.176 177.552 175.328 0.080 0.000 1.075 62 H CA 0.399 56.498 56.048 0.085 0.000 1.342 62 H CB -0.013 29.789 29.762 0.068 0.000 1.395 62 H HN 0.110 nan 8.280 nan 0.000 0.530 63 L N 0.684 122.029 121.223 0.203 0.000 2.109 63 L HA -0.081 4.247 4.340 -0.020 0.000 0.207 63 L C 2.511 179.480 176.870 0.165 0.000 1.086 63 L CA 1.024 55.945 54.840 0.135 0.000 0.760 63 L CB -0.734 41.399 42.059 0.123 0.000 0.910 63 L HN 0.027 nan 8.230 nan 0.000 0.437 64 V N -0.267 119.772 119.914 0.208 0.000 2.358 64 V HA -0.113 3.995 4.120 -0.020 0.000 0.246 64 V C 2.395 178.617 176.094 0.213 0.000 1.047 64 V CA 1.824 64.297 62.300 0.289 0.000 1.035 64 V CB -0.828 31.138 31.823 0.239 0.000 0.658 64 V HN 0.561 nan 8.190 nan 0.000 0.452 65 G N -0.206 108.671 108.800 0.129 0.000 2.469 65 G HA2 -0.297 3.652 3.960 -0.020 0.000 0.219 65 G HA3 -0.297 3.652 3.960 -0.020 0.000 0.219 65 G C 1.696 176.656 174.900 0.099 0.000 1.150 65 G CA 1.045 46.197 45.100 0.088 0.000 0.763 65 G HN 0.531 nan 8.290 nan 0.000 0.561 66 R N -1.612 118.956 120.500 0.114 0.000 2.119 66 R HA 0.008 4.336 4.340 -0.020 0.000 0.222 66 R C 2.198 178.588 176.300 0.151 0.000 1.088 66 R CA 0.751 56.904 56.100 0.088 0.000 0.984 66 R CB -0.307 30.024 30.300 0.052 0.000 0.884 66 R HN 0.464 nan 8.270 nan 0.000 0.447 67 W N 1.633 122.922 121.300 -0.019 0.000 2.332 67 W HA -0.116 4.533 4.660 -0.019 0.000 0.321 67 W C 1.669 178.170 176.519 -0.030 0.000 1.219 67 W CA 1.095 58.425 57.345 -0.025 0.000 1.277 67 W CB -0.779 28.685 29.460 0.006 0.000 1.161 67 W HN -0.049 nan 8.180 nan 0.000 0.476 68 I N 0.626 121.270 120.570 0.124 0.000 2.194 68 I HA -0.378 3.780 4.170 -0.020 0.000 0.246 68 I C 2.662 178.779 176.117 0.001 0.000 1.093 68 I CA 1.400 62.684 61.300 -0.027 0.000 1.355 68 I CB -0.588 37.402 38.000 -0.016 0.000 1.046 68 I HN -0.110 nan 8.210 nan 0.000 0.413 69 R N 0.277 120.795 120.500 0.030 0.000 2.066 69 R HA -0.089 4.240 4.340 -0.020 0.000 0.232 69 R C 2.324 178.613 176.300 -0.018 0.000 1.131 69 R CA 1.718 57.825 56.100 0.012 0.000 0.955 69 R CB -1.325 28.978 30.300 0.005 0.000 0.851 69 R HN 0.340 nan 8.270 nan 0.000 0.432 70 T N 1.861 116.387 114.554 -0.048 0.000 2.684 70 T HA -0.127 4.211 4.350 -0.020 0.000 0.267 70 T C 1.807 176.321 174.700 -0.309 0.000 1.036 70 T CA 1.142 63.118 62.100 -0.206 0.000 1.148 70 T CB -0.047 68.710 68.868 -0.186 0.000 0.863 70 T HN 0.165 nan 8.240 nan 0.000 0.436 71 Q N 0.987 120.719 119.800 -0.113 0.000 2.167 71 Q HA -0.017 4.311 4.340 -0.020 0.000 0.202 71 Q C 2.377 178.418 176.000 0.069 0.000 0.970 71 Q CA 1.210 57.005 55.803 -0.014 0.000 0.855 71 Q CB -0.341 28.388 28.738 -0.015 0.000 0.911 71 Q HN 0.647 nan 8.270 nan 0.000 0.438 72 Q N -0.559 119.275 119.800 0.056 0.000 2.046 72 Q HA -0.167 4.161 4.340 -0.020 0.000 0.200 72 Q C 2.131 178.245 176.000 0.190 0.000 0.975 72 Q CA 1.078 56.961 55.803 0.134 0.000 0.836 72 Q CB -0.252 28.542 28.738 0.094 0.000 0.896 72 Q HN 0.553 nan 8.270 nan 0.000 0.428 73 H N -0.451 118.622 119.070 0.006 0.000 2.289 73 H HA -0.203 4.341 4.556 -0.020 0.000 0.296 73 H C 1.637 177.045 175.328 0.132 0.000 1.091 73 H CA 1.747 57.802 56.048 0.011 0.000 1.274 73 H CB 0.097 29.801 29.762 -0.096 0.000 1.364 73 H HN 0.290 nan 8.280 nan 0.000 0.490 74 Y N -0.255 120.091 120.300 0.077 0.000 2.274 74 Y HA -0.222 4.316 4.550 -0.020 0.000 0.290 74 Y C 2.598 178.525 175.900 0.045 0.000 1.145 74 Y CA 0.876 58.987 58.100 0.018 0.000 1.203 74 Y CB -1.314 37.222 38.460 0.128 0.000 0.984 74 Y HN 0.364 nan 8.280 nan 0.000 0.533 75 Y N 1.344 121.731 120.300 0.145 0.000 2.145 75 Y HA -0.184 4.354 4.550 -0.020 0.000 0.286 75 Y C 2.099 178.014 175.900 0.026 0.000 1.145 75 Y CA 1.746 59.891 58.100 0.076 0.000 1.148 75 Y CB -0.280 38.212 38.460 0.054 0.000 0.981 75 Y HN -0.017 nan 8.280 nan 0.000 0.507 76 E N 0.551 120.646 120.200 -0.174 0.000 2.017 76 E HA -0.176 4.162 4.350 -0.020 0.000 0.193 76 E C 2.056 178.515 176.600 -0.234 0.000 0.997 76 E CA 1.525 57.758 56.400 -0.278 0.000 0.804 76 E CB -0.311 29.328 29.700 -0.101 0.000 0.757 76 E HN 0.295 nan 8.360 nan 0.000 0.448 77 K N 0.626 120.900 120.400 -0.211 0.000 2.217 77 K HA -0.067 4.241 4.320 -0.020 0.000 0.202 77 K C 0.004 176.532 176.600 -0.119 0.000 1.051 77 K CA 0.684 56.859 56.287 -0.188 0.000 0.952 77 K CB -0.268 32.048 32.500 -0.306 0.000 0.736 77 K HN 0.078 nan 8.250 nan 0.000 0.453 78 D N -0.196 120.155 120.400 -0.082 0.000 2.697 78 D HA -0.114 4.514 4.640 -0.020 0.000 0.238 78 D C -2.351 173.919 176.300 -0.051 0.000 1.152 78 D CA 0.039 54.009 54.000 -0.049 0.000 0.666 78 D CB -0.358 40.398 40.800 -0.073 0.000 1.037 78 D HN 0.126 nan 8.370 nan 0.000 0.423 79 P HA 0.101 nan 4.420 nan 0.000 0.274 79 P C -0.212 177.030 177.300 -0.096 0.000 1.260 79 P CA -0.443 62.599 63.100 -0.098 0.000 0.793 79 P CB 0.490 32.090 31.700 -0.166 0.000 1.048 80 K N 0.770 121.117 120.400 -0.088 0.000 2.322 80 K HA 0.183 4.491 4.320 -0.020 0.000 0.283 80 K C -0.241 176.263 176.600 -0.160 0.000 1.042 80 K CA -0.183 56.051 56.287 -0.089 0.000 0.958 80 K CB 0.319 32.783 32.500 -0.059 0.000 0.984 80 K HN 0.215 nan 8.250 nan 0.000 0.473 81 R N 3.552 123.939 120.500 -0.189 0.000 2.474 81 R HA 0.403 4.731 4.340 -0.020 0.000 0.295 81 R C -0.751 175.236 176.300 -0.520 0.000 0.980 81 R CA -0.472 55.432 56.100 -0.327 0.000 0.934 81 R CB 1.026 31.152 30.300 -0.288 0.000 1.101 81 R HN 0.549 nan 8.270 nan 0.000 0.469 82 I N 3.335 123.558 120.570 -0.579 0.000 2.354 82 I HA 0.248 4.407 4.170 -0.020 0.000 0.292 82 I C -0.951 174.825 176.117 -0.569 0.000 0.989 82 I CA -0.416 60.498 61.300 -0.643 0.000 1.188 82 I CB 0.928 38.440 38.000 -0.813 0.000 1.342 82 I HN 0.452 nan 8.210 nan 0.000 0.457 83 Y N 6.006 126.285 120.300 -0.035 0.000 2.334 83 Y HA 0.333 4.871 4.550 -0.019 0.000 0.336 83 Y C -0.667 175.357 175.900 0.206 0.000 0.960 83 Y CA -0.769 57.440 58.100 0.182 0.000 1.164 83 Y CB 0.873 39.415 38.460 0.136 0.000 1.155 83 Y HN 0.394 nan 8.280 nan 0.000 0.478 84 Y N 4.561 125.054 120.300 0.322 0.000 2.518 84 Y HA 0.476 5.014 4.550 -0.019 0.000 0.344 84 Y C -1.226 174.940 175.900 0.443 0.000 0.982 84 Y CA -1.070 57.222 58.100 0.320 0.000 1.234 84 Y CB 0.283 38.931 38.460 0.314 0.000 1.114 84 Y HN 0.514 nan 8.280 nan 0.000 0.515 85 L N 5.052 126.337 121.223 0.104 0.000 2.265 85 L HA 0.456 4.784 4.340 -0.020 0.000 0.288 85 L C -0.105 176.767 176.870 0.002 0.000 1.058 85 L CA 0.143 55.085 54.840 0.169 0.000 0.809 85 L CB 1.157 43.290 42.059 0.123 0.000 1.179 85 L HN 0.579 nan 8.230 nan 0.000 0.429 86 S N 2.571 118.354 115.700 0.138 0.000 2.541 86 S HA 0.508 4.966 4.470 -0.020 0.000 0.271 86 S C 0.218 174.908 174.600 0.150 0.000 1.133 86 S CA -0.534 57.652 58.200 -0.023 0.000 0.876 86 S CB 1.047 64.000 63.200 -0.412 0.000 1.105 86 S HN 0.479 nan 8.310 nan 0.000 0.470 87 L N 2.769 124.116 121.223 0.208 0.000 2.591 87 L HA 0.448 4.776 4.340 -0.020 0.000 0.228 87 L C 0.280 177.353 176.870 0.337 0.000 1.133 87 L CA 0.892 55.919 54.840 0.312 0.000 0.880 87 L CB -0.063 42.178 42.059 0.302 0.000 1.033 87 L HN 0.663 nan 8.230 nan 0.000 0.450 88 E N -1.366 118.908 120.200 0.122 0.000 2.314 88 E HA 0.430 4.768 4.350 -0.020 0.000 0.272 88 E C -1.374 175.117 176.600 -0.181 0.000 0.884 88 E CA -0.542 55.917 56.400 0.099 0.000 0.753 88 E CB 2.024 31.757 29.700 0.054 0.000 1.213 88 E HN -0.174 nan 8.360 nan 0.000 0.432 89 F N 1.894 121.949 119.950 0.175 0.000 3.228 89 F HA 0.136 4.651 4.527 -0.020 0.000 0.385 89 F C -1.075 174.809 175.800 0.140 0.000 1.247 89 F CA -0.754 57.341 58.000 0.159 0.000 1.211 89 F CB 0.950 40.039 39.000 0.148 0.000 1.719 89 F HN 0.472 nan 8.300 nan 0.000 0.630 90 Y N 5.116 125.496 120.300 0.133 0.000 2.636 90 Y HA 0.211 4.750 4.550 -0.019 0.000 0.341 90 Y C 0.990 176.916 175.900 0.043 0.000 1.169 90 Y CA -0.946 57.182 58.100 0.046 0.000 1.498 90 Y CB 0.410 38.878 38.460 0.014 0.000 1.362 90 Y HN 0.518 nan 8.280 nan 0.000 0.494 91 M N 1.946 121.707 119.600 0.269 0.000 2.334 91 M HA 0.135 4.604 4.480 -0.020 0.000 0.266 91 M C 1.494 177.792 176.300 -0.003 0.000 1.082 91 M CA 1.031 56.390 55.300 0.098 0.000 1.141 91 M CB -1.218 31.410 32.600 0.048 0.000 1.380 91 M HN 0.696 nan 8.290 nan 0.000 0.440 92 G N 1.305 110.124 108.800 0.032 0.000 2.645 92 G HA2 -0.268 3.680 3.960 -0.020 0.000 0.239 92 G HA3 -0.268 3.680 3.960 -0.020 0.000 0.239 92 G C -0.393 174.468 174.900 -0.064 0.000 1.331 92 G CA -0.399 44.665 45.100 -0.059 0.000 0.890 92 G HN 0.446 nan 8.290 nan 0.000 0.572 93 R N -0.833 119.604 120.500 -0.104 0.000 2.641 93 R HA 0.538 4.866 4.340 -0.020 0.000 0.269 93 R C 1.172 177.352 176.300 -0.200 0.000 1.074 93 R CA 0.533 56.575 56.100 -0.097 0.000 1.133 93 R CB 0.549 30.791 30.300 -0.097 0.000 1.029 93 R HN 0.531 nan 8.270 nan 0.000 0.488 94 T N 1.276 115.658 114.554 -0.287 0.000 2.959 94 T HA 0.004 4.343 4.350 -0.020 0.000 0.254 94 T C 1.341 175.654 174.700 -0.645 0.000 1.003 94 T CA -0.228 61.507 62.100 -0.609 0.000 0.950 94 T CB 0.152 68.320 68.868 -1.166 0.000 1.090 94 T HN 0.302 nan 8.240 nan 0.000 0.503 95 L N 2.134 123.191 121.223 -0.276 0.000 1.955 95 L HA -0.062 4.267 4.340 -0.020 0.000 0.213 95 L C 2.502 179.325 176.870 -0.078 0.000 1.072 95 L CA 2.091 56.916 54.840 -0.026 0.000 0.755 95 L CB -0.751 41.492 42.059 0.308 0.000 0.888 95 L HN 0.194 nan 8.230 nan 0.000 0.432 96 Q N -0.790 118.967 119.800 -0.071 0.000 2.096 96 Q HA -0.288 4.040 4.340 -0.020 0.000 0.204 96 Q C 2.113 178.042 176.000 -0.118 0.000 0.982 96 Q CA 2.127 57.885 55.803 -0.075 0.000 0.850 96 Q CB -0.264 28.424 28.738 -0.082 0.000 0.901 96 Q HN 0.664 nan 8.270 nan 0.000 0.422 97 N N -1.139 117.452 118.700 -0.181 0.000 2.223 97 N HA -0.128 4.600 4.740 -0.020 0.000 0.185 97 N C 1.299 176.706 175.510 -0.172 0.000 1.016 97 N CA 1.930 54.866 53.050 -0.189 0.000 0.863 97 N CB -0.065 38.277 38.487 -0.242 0.000 0.983 97 N HN 0.219 nan 8.380 nan 0.000 0.429 98 T N 0.036 114.458 114.554 -0.220 0.000 2.851 98 T HA 0.001 4.339 4.350 -0.020 0.000 0.262 98 T C 1.888 176.533 174.700 -0.092 0.000 1.043 98 T CA 0.903 62.891 62.100 -0.187 0.000 1.140 98 T CB -0.134 68.573 68.868 -0.268 0.000 0.872 98 T HN 0.226 nan 8.240 nan 0.000 0.446 99 M N 0.735 120.297 119.600 -0.062 0.000 2.108 99 M HA -0.100 4.368 4.480 -0.020 0.000 0.261 99 M C 2.422 178.695 176.300 -0.045 0.000 1.066 99 M CA 1.325 56.605 55.300 -0.034 0.000 1.107 99 M CB -0.573 32.022 32.600 -0.010 0.000 1.356 99 M HN 0.110 nan 8.290 nan 0.000 0.406 100 V N 0.599 120.489 119.914 -0.039 0.000 2.307 100 V HA -0.234 3.875 4.120 -0.020 0.000 0.245 100 V C 1.721 177.823 176.094 0.013 0.000 1.045 100 V CA 1.734 64.034 62.300 -0.001 0.000 1.024 100 V CB -0.774 31.056 31.823 0.012 0.000 0.651 100 V HN 0.455 nan 8.190 nan 0.000 0.449 101 N N -0.286 118.415 118.700 0.002 0.000 2.459 101 N HA -0.042 4.687 4.740 -0.020 0.000 0.181 101 N C 1.134 176.560 175.510 -0.139 0.000 1.046 101 N CA 0.745 53.784 53.050 -0.018 0.000 0.904 101 N CB -0.049 38.438 38.487 0.000 0.000 0.964 101 N HN 0.285 nan 8.380 nan 0.000 0.444 102 L N -0.387 120.770 121.223 -0.110 0.000 2.616 102 L HA 0.399 4.727 4.340 -0.020 0.000 0.229 102 L C 0.511 177.305 176.870 -0.127 0.000 1.110 102 L CA -0.054 54.720 54.840 -0.110 0.000 0.884 102 L CB -0.460 41.559 42.059 -0.066 0.000 1.115 102 L HN 0.093 nan 8.230 nan 0.000 0.481 103 A N -0.430 122.314 122.820 -0.126 0.000 2.914 103 A HA -0.210 4.098 4.320 -0.020 0.000 0.280 103 A C 1.047 178.573 177.584 -0.096 0.000 1.447 103 A CA 1.079 53.048 52.037 -0.113 0.000 0.759 103 A CB -2.036 16.881 19.000 -0.138 0.000 1.034 103 A HN 0.300 nan 8.150 nan 0.000 0.529 104 L N -1.338 119.833 121.223 -0.088 0.000 2.731 104 L HA 0.143 4.472 4.340 -0.020 0.000 0.240 104 L C 1.969 178.807 176.870 -0.054 0.000 1.120 104 L CA 0.704 55.487 54.840 -0.094 0.000 0.913 104 L CB 0.021 42.004 42.059 -0.126 0.000 1.213 104 L HN 0.692 nan 8.230 nan 0.000 0.515 105 E N 1.409 121.586 120.200 -0.039 0.000 2.086 105 E HA -0.295 4.043 4.350 -0.020 0.000 0.200 105 E C 1.538 178.126 176.600 -0.020 0.000 1.012 105 E CA 2.248 58.636 56.400 -0.021 0.000 0.812 105 E CB 0.085 29.774 29.700 -0.018 0.000 0.743 105 E HN 0.567 nan 8.360 nan 0.000 0.453 106 N N -0.458 118.225 118.700 -0.028 0.000 2.080 106 N HA -0.123 4.605 4.740 -0.020 0.000 0.189 106 N C 1.859 177.353 175.510 -0.027 0.000 1.036 106 N CA 1.028 54.061 53.050 -0.029 0.000 0.846 106 N CB -0.183 38.285 38.487 -0.031 0.000 1.015 106 N HN 0.188 nan 8.380 nan 0.000 0.423 107 A N 0.454 123.256 122.820 -0.030 0.000 1.940 107 A HA -0.164 4.144 4.320 -0.020 0.000 0.219 107 A C 2.339 179.917 177.584 -0.010 0.000 1.176 107 A CA 1.114 53.137 52.037 -0.023 0.000 0.631 107 A CB -0.975 18.004 19.000 -0.035 0.000 0.814 107 A HN 0.485 nan 8.150 nan 0.000 0.446 108 C N -0.932 118.364 119.300 -0.007 0.000 2.440 108 C HA -0.062 4.386 4.460 -0.020 0.000 0.278 108 C C 2.471 177.465 174.990 0.006 0.000 1.295 108 C CA 1.003 60.030 59.018 0.015 0.000 1.738 108 C CB -1.001 26.760 27.740 0.034 0.000 1.987 108 C HN 0.673 nan 8.230 nan 0.000 0.492 109 D N 0.717 121.117 120.400 0.001 0.000 2.097 109 D HA -0.140 4.488 4.640 -0.020 0.000 0.195 109 D C 2.139 178.444 176.300 0.009 0.000 0.989 109 D CA 1.538 55.538 54.000 0.000 0.000 0.827 109 D CB -0.261 40.529 40.800 -0.017 0.000 0.966 109 D HN 0.453 nan 8.370 nan 0.000 0.456 110 E N 0.529 120.727 120.200 -0.003 0.000 2.051 110 E HA -0.066 4.273 4.350 -0.020 0.000 0.192 110 E C 1.871 178.496 176.600 0.043 0.000 0.991 110 E CA 1.672 58.083 56.400 0.018 0.000 0.799 110 E CB -0.574 29.124 29.700 -0.004 0.000 0.748 110 E HN 0.204 nan 8.360 nan 0.000 0.449 111 A N -0.172 122.649 122.820 0.001 0.000 1.940 111 A HA -0.185 4.124 4.320 -0.020 0.000 0.219 111 A C 2.429 179.941 177.584 -0.120 0.000 1.176 111 A CA 2.549 54.564 52.037 -0.037 0.000 0.631 111 A CB -1.264 17.722 19.000 -0.024 0.000 0.814 111 A HN 0.506 nan 8.150 nan 0.000 0.446 112 T N -4.406 110.077 114.554 -0.119 0.000 3.023 112 T HA -0.102 4.236 4.350 -0.020 0.000 0.266 112 T C 1.759 176.386 174.700 -0.122 0.000 1.093 112 T CA 1.267 63.237 62.100 -0.215 0.000 1.129 112 T CB -0.433 68.347 68.868 -0.147 0.000 0.899 112 T HN 0.444 nan 8.240 nan 0.000 0.491 113 Y N 2.121 122.338 120.300 -0.138 0.000 2.220 113 Y HA 0.070 4.608 4.550 -0.019 0.000 0.291 113 Y C 2.548 178.384 175.900 -0.106 0.000 1.129 113 Y CA 1.218 59.255 58.100 -0.105 0.000 1.161 113 Y CB -0.349 38.069 38.460 -0.069 0.000 0.997 113 Y HN 0.208 nan 8.280 nan 0.000 0.522 114 Q N -0.181 119.590 119.800 -0.048 0.000 2.437 114 Q HA -0.072 4.257 4.340 -0.020 0.000 0.210 114 Q C 1.587 177.482 176.000 -0.175 0.000 0.972 114 Q CA 0.970 56.706 55.803 -0.111 0.000 0.903 114 Q CB 0.001 28.728 28.738 -0.018 0.000 0.967 114 Q HN 0.514 nan 8.270 nan 0.000 0.486 115 L N -1.109 119.980 121.223 -0.225 0.000 2.607 115 L HA 0.215 4.544 4.340 -0.020 0.000 0.228 115 L C 0.880 177.591 176.870 -0.265 0.000 1.123 115 L CA 0.200 54.894 54.840 -0.243 0.000 0.890 115 L CB 0.345 42.188 42.059 -0.359 0.000 1.103 115 L HN 0.330 nan 8.230 nan 0.000 0.468 116 G N 0.994 109.613 108.800 -0.301 0.000 2.149 116 G HA2 -0.242 3.706 3.960 -0.020 0.000 0.235 116 G HA3 -0.242 3.706 3.960 -0.020 0.000 0.235 116 G C -0.205 174.537 174.900 -0.265 0.000 1.018 116 G CA -0.042 44.885 45.100 -0.288 0.000 0.728 116 G HN 0.229 nan 8.290 nan 0.000 0.508 117 L N -0.485 120.576 121.223 -0.270 0.000 2.323 117 L HA 0.730 5.058 4.340 -0.020 0.000 0.265 117 L C -0.527 176.284 176.870 -0.099 0.000 1.012 117 L CA -1.225 53.481 54.840 -0.223 0.000 0.820 117 L CB 1.947 43.805 42.059 -0.335 0.000 1.334 117 L HN 0.116 nan 8.230 nan 0.000 0.427 118 D N 1.093 121.470 120.400 -0.039 0.000 2.414 118 D HA 0.244 4.872 4.640 -0.020 0.000 0.232 118 D C 0.533 176.854 176.300 0.035 0.000 1.070 118 D CA -0.467 53.547 54.000 0.023 0.000 0.839 118 D CB 1.606 42.427 40.800 0.034 0.000 1.079 118 D HN 0.549 nan 8.370 nan 0.000 0.521 119 M N 3.020 122.645 119.600 0.041 0.000 2.159 119 M HA -0.108 4.360 4.480 -0.020 0.000 0.263 119 M C 1.504 177.839 176.300 0.059 0.000 1.063 119 M CA 1.560 56.894 55.300 0.056 0.000 1.110 119 M CB 0.114 32.742 32.600 0.047 0.000 1.374 119 M HN 0.539 nan 8.290 nan 0.000 0.411 120 E N 0.031 120.258 120.200 0.044 0.000 2.110 120 E HA -0.277 4.062 4.350 -0.020 0.000 0.193 120 E C 1.869 178.492 176.600 0.038 0.000 0.988 120 E CA 1.572 57.993 56.400 0.036 0.000 0.804 120 E CB -0.115 29.604 29.700 0.031 0.000 0.745 120 E HN 0.702 nan 8.360 nan 0.000 0.458 121 E N 0.519 120.747 120.200 0.046 0.000 2.110 121 E HA -0.207 4.131 4.350 -0.020 0.000 0.193 121 E C 2.144 178.772 176.600 0.048 0.000 0.988 121 E CA 0.826 57.253 56.400 0.046 0.000 0.804 121 E CB -0.075 29.656 29.700 0.052 0.000 0.745 121 E HN 0.282 nan 8.360 nan 0.000 0.458 122 L N 0.632 121.904 121.223 0.081 0.000 2.017 122 L HA -0.161 4.167 4.340 -0.020 0.000 0.208 122 L C 2.540 179.433 176.870 0.038 0.000 1.073 122 L CA 1.546 56.462 54.840 0.126 0.000 0.745 122 L CB -0.543 41.651 42.059 0.225 0.000 0.894 122 L HN 0.184 nan 8.230 nan 0.000 0.432 123 E N -0.085 120.138 120.200 0.039 0.000 2.160 123 E HA -0.219 4.119 4.350 -0.020 0.000 0.195 123 E C 1.927 178.450 176.600 -0.127 0.000 0.991 123 E CA 0.861 57.246 56.400 -0.024 0.000 0.810 123 E CB 0.012 29.716 29.700 0.007 0.000 0.742 123 E HN 0.350 nan 8.360 nan 0.000 0.466 124 E N 0.195 120.344 120.200 -0.084 0.000 2.472 124 E HA -0.088 4.250 4.350 -0.020 0.000 0.200 124 E C 1.737 178.254 176.600 -0.138 0.000 1.046 124 E CA 0.463 56.818 56.400 -0.075 0.000 0.871 124 E CB 0.065 29.762 29.700 -0.005 0.000 0.806 124 E HN 0.412 nan 8.360 nan 0.000 0.533 125 I N 0.560 120.972 120.570 -0.263 0.000 2.876 125 I HA -0.079 4.079 4.170 -0.020 0.000 0.264 125 I C 1.268 177.068 176.117 -0.529 0.000 1.204 125 I CA 0.115 61.204 61.300 -0.352 0.000 1.485 125 I CB 0.173 37.963 38.000 -0.350 0.000 1.103 125 I HN -0.036 nan 8.210 nan 0.000 0.446 126 E N 2.757 122.524 120.200 -0.721 0.000 2.415 126 E HA -0.038 4.300 4.350 -0.020 0.000 0.263 126 E C -0.164 176.348 176.600 -0.147 0.000 0.995 126 E CA -0.100 55.973 56.400 -0.545 0.000 0.915 126 E CB 0.608 30.086 29.700 -0.371 0.000 0.951 126 E HN 0.106 nan 8.360 nan 0.000 0.449 127 E N 3.312 123.520 120.200 0.012 0.000 2.354 127 E HA 0.039 4.377 4.350 -0.020 0.000 0.269 127 E C -0.778 175.923 176.600 0.168 0.000 1.036 127 E CA -0.253 56.230 56.400 0.139 0.000 0.876 127 E CB 0.925 30.790 29.700 0.274 0.000 1.009 127 E HN 0.509 nan 8.360 nan 0.000 0.416 128 D N 0.671 121.150 120.400 0.130 0.000 2.382 128 D HA 0.179 4.807 4.640 -0.020 0.000 0.245 128 D C -0.691 175.662 176.300 0.088 0.000 1.120 128 D CA -0.010 54.045 54.000 0.091 0.000 0.890 128 D CB 0.775 41.620 40.800 0.075 0.000 1.201 128 D HN 0.374 nan 8.370 nan 0.000 0.433 129 A N 2.640 125.472 122.820 0.020 0.000 2.650 129 A HA 0.492 4.801 4.320 -0.020 0.000 0.320 129 A C 0.864 178.298 177.584 -0.249 0.000 1.466 129 A CA -0.401 51.475 52.037 -0.268 0.000 1.099 129 A CB -0.054 18.859 19.000 -0.146 0.000 1.136 129 A HN 0.500 nan 8.150 nan 0.000 0.532 130 G N 2.040 110.605 108.800 -0.393 0.000 3.717 130 G HA2 0.414 4.362 3.960 -0.020 0.000 0.258 130 G HA3 0.414 4.362 3.960 -0.020 0.000 0.258 130 G C 0.282 174.829 174.900 -0.588 0.000 1.088 130 G CA -0.281 44.557 45.100 -0.436 0.000 1.737 130 G HN 0.690 nan 8.290 nan 0.000 0.648 131 L N 1.444 122.420 121.223 -0.413 0.000 2.939 131 L HA 0.388 4.716 4.340 -0.020 0.000 0.239 131 L C 1.014 177.805 176.870 -0.132 0.000 1.325 131 L CA -0.240 54.502 54.840 -0.163 0.000 1.170 131 L CB -0.335 41.774 42.059 0.084 0.000 1.538 131 L HN 0.321 nan 8.230 nan 0.000 0.452 132 G N -1.259 107.255 108.800 -0.476 0.000 2.677 132 G HA2 0.200 4.149 3.960 -0.020 0.000 0.291 132 G HA3 0.200 4.149 3.960 -0.020 0.000 0.291 132 G C -0.160 174.446 174.900 -0.489 0.000 1.435 132 G CA -0.451 44.436 45.100 -0.355 0.000 0.826 132 G HN -0.075 nan 8.290 nan 0.000 0.491 133 N N -0.788 117.818 118.700 -0.158 0.000 2.436 133 N HA 0.202 4.930 4.740 -0.020 0.000 0.178 133 N C 1.193 176.764 175.510 0.102 0.000 1.026 133 N CA 1.339 54.355 53.050 -0.057 0.000 0.880 133 N CB 1.173 39.688 38.487 0.047 0.000 1.061 133 N HN 0.815 nan 8.380 nan 0.000 0.434 134 G N -0.706 108.209 108.800 0.191 0.000 3.074 134 G HA2 0.173 4.121 3.960 -0.020 0.000 0.127 134 G HA3 0.173 4.121 3.960 -0.020 0.000 0.127 134 G C 0.760 175.769 174.900 0.181 0.000 1.216 134 G CA 0.276 45.524 45.100 0.246 0.000 1.390 134 G HN 0.171 nan 8.290 nan 0.000 0.676 135 G N 0.431 109.299 108.800 0.112 0.000 2.440 135 G HA2 -0.070 3.879 3.960 -0.020 0.000 0.218 135 G HA3 -0.070 3.879 3.960 -0.020 0.000 0.218 135 G C 1.875 176.779 174.900 0.007 0.000 1.154 135 G CA 1.491 46.622 45.100 0.051 0.000 0.767 135 G HN 0.665 nan 8.290 nan 0.000 0.552 136 L N 0.621 121.835 121.223 -0.016 0.000 2.017 136 L HA 0.108 4.436 4.340 -0.020 0.000 0.208 136 L C 2.889 179.707 176.870 -0.088 0.000 1.073 136 L CA 1.962 56.717 54.840 -0.142 0.000 0.745 136 L CB -0.543 41.409 42.059 -0.179 0.000 0.894 136 L HN 0.233 nan 8.230 nan 0.000 0.432 137 G N -0.825 107.982 108.800 0.012 0.000 2.402 137 G HA2 -0.304 3.644 3.960 -0.020 0.000 0.216 137 G HA3 -0.304 3.644 3.960 -0.020 0.000 0.216 137 G C 1.635 176.597 174.900 0.103 0.000 1.162 137 G CA 0.687 45.815 45.100 0.046 0.000 0.777 137 G HN 0.268 nan 8.290 nan 0.000 0.539 138 R N 0.101 120.684 120.500 0.139 0.000 2.115 138 R HA 0.098 4.427 4.340 -0.020 0.000 0.230 138 R C 2.315 178.623 176.300 0.013 0.000 1.111 138 R CA 0.871 57.033 56.100 0.104 0.000 0.976 138 R CB -0.867 29.462 30.300 0.048 0.000 0.870 138 R HN 0.355 nan 8.270 nan 0.000 0.445 139 L N -0.012 121.152 121.223 -0.098 0.000 2.083 139 L HA 0.034 4.362 4.340 -0.020 0.000 0.209 139 L C 2.051 178.638 176.870 -0.473 0.000 1.083 139 L CA 2.080 56.727 54.840 -0.322 0.000 0.752 139 L CB -0.735 41.093 42.059 -0.385 0.000 0.899 139 L HN 0.230 nan 8.230 nan 0.000 0.433 140 A N -0.546 122.134 122.820 -0.234 0.000 1.933 140 A HA -0.105 4.204 4.320 -0.020 0.000 0.218 140 A C 2.430 180.083 177.584 0.115 0.000 1.175 140 A CA 1.673 53.655 52.037 -0.092 0.000 0.628 140 A CB -1.070 17.843 19.000 -0.146 0.000 0.814 140 A HN 0.558 nan 8.150 nan 0.000 0.444 141 A N -1.226 121.690 122.820 0.161 0.000 1.930 141 A HA -0.125 4.183 4.320 -0.020 0.000 0.217 141 A C 2.283 179.952 177.584 0.141 0.000 1.175 141 A CA 1.562 53.722 52.037 0.205 0.000 0.627 141 A CB -1.160 17.949 19.000 0.181 0.000 0.815 141 A HN 0.576 nan 8.150 nan 0.000 0.443 142 C N -1.668 117.710 119.300 0.130 0.000 2.446 142 C HA -0.032 4.416 4.460 -0.020 0.000 0.277 142 C C 2.468 177.629 174.990 0.285 0.000 1.275 142 C CA 0.669 59.805 59.018 0.196 0.000 1.727 142 C CB -1.632 26.241 27.740 0.221 0.000 2.010 142 C HN 0.678 nan 8.230 nan 0.000 0.486 143 F N -0.170 119.774 119.950 -0.011 0.000 2.171 143 F HA -0.168 4.347 4.527 -0.020 0.000 0.300 143 F C 2.263 178.012 175.800 -0.084 0.000 1.090 143 F CA 0.447 58.389 58.000 -0.097 0.000 1.293 143 F CB -0.304 38.512 39.000 -0.307 0.000 1.013 143 F HN 0.152 nan 8.300 nan 0.000 0.486 144 L N 0.448 121.761 121.223 0.151 0.000 2.017 144 L HA -0.277 4.052 4.340 -0.020 0.000 0.208 144 L C 2.228 179.119 176.870 0.035 0.000 1.073 144 L CA 1.788 56.671 54.840 0.072 0.000 0.745 144 L CB -1.057 41.053 42.059 0.084 0.000 0.894 144 L HN 0.146 nan 8.230 nan 0.000 0.432 145 D N -1.380 119.048 120.400 0.047 0.000 2.123 145 D HA -0.174 4.454 4.640 -0.020 0.000 0.196 145 D C 1.933 178.252 176.300 0.031 0.000 0.992 145 D CA 1.564 55.575 54.000 0.019 0.000 0.833 145 D CB 0.431 41.240 40.800 0.016 0.000 0.954 145 D HN 0.311 nan 8.370 nan 0.000 0.455 146 S N -0.111 115.624 115.700 0.058 0.000 2.368 146 S HA -0.081 4.378 4.470 -0.020 0.000 0.224 146 S C 2.134 176.747 174.600 0.023 0.000 1.029 146 S CA 0.819 59.043 58.200 0.040 0.000 0.988 146 S CB -0.121 63.104 63.200 0.043 0.000 0.838 146 S HN 0.336 nan 8.310 nan 0.000 0.462 147 M N 0.929 120.538 119.600 0.015 0.000 2.213 147 M HA -0.099 4.369 4.480 -0.020 0.000 0.263 147 M C 2.375 178.684 176.300 0.015 0.000 1.062 147 M CA 1.345 56.653 55.300 0.014 0.000 1.105 147 M CB -0.461 32.132 32.600 -0.011 0.000 1.385 147 M HN 0.395 nan 8.290 nan 0.000 0.417 148 A N -0.324 122.500 122.820 0.007 0.000 1.897 148 A HA -0.106 4.202 4.320 -0.020 0.000 0.215 148 A C 2.154 179.754 177.584 0.026 0.000 1.181 148 A CA 1.909 53.951 52.037 0.008 0.000 0.620 148 A CB -1.023 17.964 19.000 -0.022 0.000 0.821 148 A HN 0.397 nan 8.150 nan 0.000 0.443 149 T N 0.365 114.939 114.554 0.033 0.000 2.881 149 T HA 0.011 4.349 4.350 -0.020 0.000 0.270 149 T C 1.262 175.991 174.700 0.049 0.000 1.068 149 T CA 0.979 63.110 62.100 0.052 0.000 1.131 149 T CB -0.256 68.649 68.868 0.062 0.000 0.871 149 T HN 0.322 nan 8.240 nan 0.000 0.479 150 L N 0.545 121.794 121.223 0.044 0.000 2.653 150 L HA 0.292 4.621 4.340 -0.020 0.000 0.231 150 L C 1.562 178.466 176.870 0.057 0.000 1.153 150 L CA -0.129 54.739 54.840 0.047 0.000 0.933 150 L CB -0.543 41.543 42.059 0.044 0.000 1.175 150 L HN 0.374 nan 8.230 nan 0.000 0.473 151 G N 1.469 110.308 108.800 0.064 0.000 2.356 151 G HA2 -0.289 3.660 3.960 -0.020 0.000 0.296 151 G HA3 -0.289 3.660 3.960 -0.020 0.000 0.296 151 G C 0.047 175.011 174.900 0.107 0.000 1.022 151 G CA 0.179 45.337 45.100 0.096 0.000 0.961 151 G HN 0.306 nan 8.290 nan 0.000 0.510 152 L N -0.396 120.865 121.223 0.062 0.000 2.343 152 L HA 0.644 4.972 4.340 -0.020 0.000 0.275 152 L C 1.137 177.937 176.870 -0.115 0.000 1.056 152 L CA -0.510 54.325 54.840 -0.009 0.000 0.804 152 L CB 1.730 43.787 42.059 -0.003 0.000 1.203 152 L HN 0.252 nan 8.230 nan 0.000 0.440 153 A N 2.817 125.437 122.820 -0.334 0.000 2.990 153 A HA 0.586 4.894 4.320 -0.020 0.000 0.282 153 A C 0.232 177.545 177.584 -0.452 0.000 1.688 153 A CA -0.172 51.430 52.037 -0.725 0.000 1.391 153 A CB -0.659 17.776 19.000 -0.943 0.000 1.112 153 A HN 0.678 nan 8.150 nan 0.000 0.588 154 A N 1.438 124.023 122.820 -0.392 0.000 2.337 154 A HA 0.795 5.103 4.320 -0.020 0.000 0.329 154 A C -1.151 176.181 177.584 -0.420 0.000 1.146 154 A CA -0.442 51.402 52.037 -0.322 0.000 0.800 154 A CB 0.778 19.643 19.000 -0.224 0.000 1.220 154 A HN 0.575 nan 8.150 nan 0.000 0.472 155 Y N 0.303 120.557 120.300 -0.076 0.000 2.391 155 Y HA 0.558 5.096 4.550 -0.019 0.000 0.341 155 Y C 0.793 176.781 175.900 0.148 0.000 0.965 155 Y CA -0.682 57.440 58.100 0.037 0.000 1.067 155 Y CB 2.263 40.830 38.460 0.178 0.000 1.199 155 Y HN 0.829 nan 8.280 nan 0.000 0.450 156 G N 2.015 110.898 108.800 0.139 0.000 2.332 156 G HA2 0.465 4.413 3.960 -0.020 0.000 0.310 156 G HA3 0.465 4.413 3.960 -0.020 0.000 0.310 156 G C -1.814 173.118 174.900 0.053 0.000 1.123 156 G CA -0.333 44.910 45.100 0.239 0.000 0.873 156 G HN 0.507 nan 8.290 nan 0.000 0.460 157 Y N 1.078 121.622 120.300 0.406 0.000 2.331 157 Y HA 0.616 5.154 4.550 -0.020 0.000 0.334 157 Y C 0.746 176.943 175.900 0.495 0.000 0.960 157 Y CA 0.113 58.411 58.100 0.331 0.000 1.130 157 Y CB 2.553 41.227 38.460 0.356 0.000 1.164 157 Y HN 0.863 nan 8.280 nan 0.000 0.458 158 G N 2.456 111.580 108.800 0.539 0.000 2.846 158 G HA2 0.632 4.580 3.960 -0.020 0.000 0.299 158 G HA3 0.632 4.580 3.960 -0.020 0.000 0.299 158 G C -1.627 173.518 174.900 0.408 0.000 1.242 158 G CA -0.818 44.630 45.100 0.580 0.000 0.800 158 G HN 0.410 nan 8.290 nan 0.000 0.538 159 I N 0.489 121.195 120.570 0.226 0.000 2.474 159 I HA 0.436 4.595 4.170 -0.020 0.000 0.294 159 I C 0.141 176.162 176.117 -0.161 0.000 1.005 159 I CA -0.745 60.573 61.300 0.029 0.000 1.113 159 I CB 2.279 40.109 38.000 -0.284 0.000 1.289 159 I HN 0.350 nan 8.210 nan 0.000 0.436 160 R N 5.987 126.489 120.500 0.004 0.000 2.593 160 R HA 0.258 4.586 4.340 -0.020 0.000 0.282 160 R C -1.283 175.055 176.300 0.064 0.000 1.300 160 R CA -0.443 55.686 56.100 0.047 0.000 1.221 160 R CB 0.027 30.331 30.300 0.007 0.000 1.157 160 R HN 0.400 nan 8.270 nan 0.000 0.555 161 Y N 1.456 121.911 120.300 0.259 0.000 2.497 161 Y HA -0.058 4.480 4.550 -0.020 0.000 0.334 161 Y C 1.546 177.628 175.900 0.304 0.000 1.199 161 Y CA 0.057 58.306 58.100 0.248 0.000 1.425 161 Y CB 0.809 39.391 38.460 0.204 0.000 1.291 161 Y HN 0.580 nan 8.280 nan 0.000 0.562 162 E N 1.582 122.001 120.200 0.365 0.000 2.158 162 E HA -0.010 4.328 4.350 -0.020 0.000 0.191 162 E C -0.791 175.754 176.600 -0.092 0.000 0.982 162 E CA 0.580 57.021 56.400 0.069 0.000 0.823 162 E CB 0.221 29.913 29.700 -0.014 0.000 0.766 162 E HN 0.478 nan 8.360 nan 0.000 0.468 163 F N -0.432 119.739 119.950 0.369 0.000 2.499 163 F HA 0.404 4.919 4.527 -0.020 0.000 0.333 163 F C 0.760 176.651 175.800 0.152 0.000 1.138 163 F CA -0.914 57.263 58.000 0.295 0.000 0.945 163 F CB 1.798 40.899 39.000 0.168 0.000 1.181 163 F HN -0.135 nan 8.300 nan 0.000 0.435 164 G N 1.925 110.821 108.800 0.159 0.000 2.546 164 G HA2 0.304 4.252 3.960 -0.020 0.000 0.239 164 G HA3 0.304 4.252 3.960 -0.020 0.000 0.239 164 G C -0.463 174.383 174.900 -0.089 0.000 1.476 164 G CA -0.613 44.419 45.100 -0.113 0.000 1.064 164 G HN 0.545 nan 8.290 nan 0.000 0.561 165 I N 1.075 121.507 120.570 -0.230 0.000 2.683 165 I HA 0.235 4.394 4.170 -0.020 0.000 0.286 165 I C 0.568 176.592 176.117 -0.155 0.000 1.175 165 I CA -1.071 60.083 61.300 -0.243 0.000 1.429 165 I CB -0.240 37.511 38.000 -0.415 0.000 1.371 165 I HN 0.334 nan 8.210 nan 0.000 0.569 166 F N 6.276 126.231 119.950 0.009 0.000 2.586 166 F HA 0.250 4.765 4.527 -0.019 0.000 0.344 166 F C 0.435 176.283 175.800 0.080 0.000 1.188 166 F CA -0.488 57.544 58.000 0.053 0.000 1.359 166 F CB -0.209 38.812 39.000 0.034 0.000 1.129 166 F HN 0.426 nan 8.300 nan 0.000 0.609 167 N N 1.756 120.634 118.700 0.297 0.000 2.499 167 N HA 0.095 4.823 4.740 -0.020 0.000 0.281 167 N C -1.050 174.684 175.510 0.374 0.000 1.098 167 N CA -0.390 52.794 53.050 0.224 0.000 0.979 167 N CB 1.362 39.977 38.487 0.213 0.000 1.121 167 N HN 0.735 nan 8.380 nan 0.000 0.466 168 Q N 2.352 122.332 119.800 0.300 0.000 2.303 168 Q HA 0.225 4.554 4.340 -0.020 0.000 0.257 168 Q C -0.999 175.173 176.000 0.287 0.000 0.941 168 Q CA -0.394 55.633 55.803 0.374 0.000 0.931 168 Q CB 0.763 29.719 28.738 0.364 0.000 1.215 168 Q HN 0.328 nan 8.270 nan 0.000 0.437 169 K N 4.116 124.666 120.400 0.250 0.000 2.259 169 K HA 0.510 4.818 4.320 -0.020 0.000 0.249 169 K C -0.693 176.017 176.600 0.184 0.000 0.942 169 K CA -0.969 55.442 56.287 0.207 0.000 0.816 169 K CB 1.639 34.236 32.500 0.162 0.000 1.155 169 K HN 0.568 nan 8.250 nan 0.000 0.428 170 I N 2.241 122.916 120.570 0.174 0.000 2.330 170 I HA 0.207 4.366 4.170 -0.020 0.000 0.289 170 I C -0.356 175.833 176.117 0.120 0.000 1.001 170 I CA -0.628 60.748 61.300 0.127 0.000 1.193 170 I CB 0.937 38.999 38.000 0.103 0.000 1.345 170 I HN 0.556 nan 8.210 nan 0.000 0.461 171 C N 4.164 123.545 119.300 0.135 0.000 2.301 171 C HA 0.572 5.020 4.460 -0.020 0.000 0.323 171 C C 1.207 176.314 174.990 0.196 0.000 1.265 171 C CA -0.250 58.850 59.018 0.137 0.000 1.503 171 C CB 0.393 28.203 27.740 0.117 0.000 2.195 171 C HN 1.095 nan 8.230 nan 0.000 0.477 172 G N 2.871 111.760 108.800 0.147 0.000 2.283 172 G HA2 0.080 4.028 3.960 -0.020 0.000 0.280 172 G HA3 0.080 4.028 3.960 -0.020 0.000 0.280 172 G C 1.121 176.080 174.900 0.098 0.000 1.029 172 G CA 1.048 46.250 45.100 0.169 0.000 0.840 172 G HN 2.316 nan 8.290 nan 0.000 0.505 173 G N -2.918 105.871 108.800 -0.017 0.000 2.199 173 G HA2 -0.296 3.652 3.960 -0.020 0.000 0.254 173 G HA3 -0.296 3.652 3.960 -0.020 0.000 0.254 173 G C 0.418 175.104 174.900 -0.358 0.000 0.982 173 G CA 0.661 45.622 45.100 -0.231 0.000 0.632 173 G HN 1.178 nan 8.290 nan 0.000 0.529 174 W N 1.082 122.337 121.300 -0.075 0.000 2.448 174 W HA 0.673 5.322 4.660 -0.019 0.000 0.339 174 W C 0.659 177.133 176.519 -0.074 0.000 1.124 174 W CA -0.725 56.569 57.345 -0.086 0.000 1.262 174 W CB 0.720 30.145 29.460 -0.058 0.000 1.251 174 W HN 0.276 nan 8.180 nan 0.000 0.597 175 Q N 2.760 122.668 119.800 0.180 0.000 2.293 175 Q HA 0.353 4.681 4.340 -0.020 0.000 0.251 175 Q C -0.685 175.383 176.000 0.115 0.000 0.930 175 Q CA -0.023 55.853 55.803 0.122 0.000 0.893 175 Q CB 0.674 29.474 28.738 0.104 0.000 1.215 175 Q HN 0.341 nan 8.270 nan 0.000 0.425 176 M N 3.011 122.674 119.600 0.104 0.000 2.395 176 M HA 0.370 4.838 4.480 -0.020 0.000 0.307 176 M C -1.316 175.011 176.300 0.045 0.000 1.091 176 M CA -0.637 54.693 55.300 0.049 0.000 0.919 176 M CB 1.896 34.536 32.600 0.067 0.000 1.662 176 M HN 0.647 nan 8.290 nan 0.000 0.440 177 E N 1.417 121.572 120.200 -0.075 0.000 2.191 177 E HA 0.473 4.811 4.350 -0.020 0.000 0.278 177 E C -0.917 175.691 176.600 0.014 0.000 0.972 177 E CA -0.318 56.011 56.400 -0.118 0.000 0.804 177 E CB 1.711 31.071 29.700 -0.567 0.000 1.110 177 E HN 0.392 nan 8.360 nan 0.000 0.394 178 E N 1.187 121.478 120.200 0.152 0.000 2.234 178 E HA 0.509 4.847 4.350 -0.020 0.000 0.266 178 E C -1.032 175.677 176.600 0.182 0.000 0.877 178 E CA -1.036 55.443 56.400 0.132 0.000 0.758 178 E CB 1.737 31.526 29.700 0.148 0.000 1.170 178 E HN 0.635 nan 8.360 nan 0.000 0.415 179 A N 2.844 125.734 122.820 0.116 0.000 2.561 179 A HA -0.053 4.255 4.320 -0.020 0.000 0.234 179 A C 0.039 177.817 177.584 0.322 0.000 1.055 179 A CA 0.335 52.465 52.037 0.155 0.000 0.756 179 A CB 0.094 19.067 19.000 -0.045 0.000 0.986 179 A HN 0.614 nan 8.150 nan 0.000 0.505 180 D N 1.243 121.905 120.400 0.437 0.000 2.479 180 D HA 0.238 4.866 4.640 -0.020 0.000 0.218 180 D C -0.566 176.040 176.300 0.511 0.000 1.131 180 D CA -0.259 53.980 54.000 0.400 0.000 0.916 180 D CB 0.480 41.445 40.800 0.276 0.000 1.022 180 D HN 0.357 nan 8.370 nan 0.000 0.515 181 D N 4.015 124.665 120.400 0.417 0.000 2.801 181 D HA -0.017 4.611 4.640 -0.020 0.000 0.232 181 D C 1.080 177.481 176.300 0.168 0.000 1.128 181 D CA -0.508 53.621 54.000 0.215 0.000 1.003 181 D CB -0.178 40.760 40.800 0.231 0.000 1.110 181 D HN 0.570 nan 8.370 nan 0.000 0.477 182 W N 1.578 122.886 121.300 0.015 0.000 2.721 182 W HA -0.037 4.611 4.660 -0.020 0.000 0.245 182 W C -0.031 176.528 176.519 0.067 0.000 1.276 182 W CA 0.099 57.483 57.345 0.067 0.000 1.342 182 W CB -0.696 28.807 29.460 0.072 0.000 1.135 182 W HN 0.191 nan 8.180 nan 0.000 0.654 183 L N 0.733 121.592 121.223 -0.606 0.000 2.640 183 L HA 0.178 4.507 4.340 -0.020 0.000 0.230 183 L C 2.644 179.348 176.870 -0.278 0.000 1.123 183 L CA -0.089 54.375 54.840 -0.626 0.000 0.900 183 L CB -0.569 40.998 42.059 -0.820 0.000 1.146 183 L HN -0.149 nan 8.230 nan 0.000 0.484 184 R N 1.006 121.398 120.500 -0.181 0.000 2.159 184 R HA -0.261 4.068 4.340 -0.020 0.000 0.249 184 R C 1.319 177.443 176.300 -0.293 0.000 1.136 184 R CA 2.294 58.257 56.100 -0.229 0.000 0.951 184 R CB -0.418 29.743 30.300 -0.232 0.000 0.876 184 R HN 0.307 nan 8.270 nan 0.000 0.440 185 Y N -0.351 119.970 120.300 0.034 0.000 2.468 185 Y HA 0.360 4.898 4.550 -0.019 0.000 0.268 185 Y C 0.754 176.665 175.900 0.018 0.000 1.177 185 Y CA 0.368 58.511 58.100 0.071 0.000 1.265 185 Y CB 0.701 39.322 38.460 0.269 0.000 1.103 185 Y HN 0.477 nan 8.280 nan 0.000 0.522 186 G N 1.366 110.202 108.800 0.060 0.000 2.690 186 G HA2 -0.229 3.719 3.960 -0.020 0.000 0.686 186 G HA3 -0.229 3.719 3.960 -0.020 0.000 0.686 186 G C -1.220 173.735 174.900 0.092 0.000 1.277 186 G CA -0.842 44.252 45.100 -0.009 0.000 0.799 186 G HN 0.266 nan 8.290 nan 0.000 0.613 187 N N 1.312 120.009 118.700 -0.004 0.000 2.524 187 N HA 0.600 5.328 4.740 -0.020 0.000 0.261 187 N C -0.691 174.802 175.510 -0.028 0.000 0.998 187 N CA -2.014 51.060 53.050 0.041 0.000 0.915 187 N CB 2.029 40.490 38.487 -0.043 0.000 1.187 187 N HN 0.238 nan 8.380 nan 0.000 0.507 188 P HA 0.039 nan 4.420 nan 0.000 0.233 188 P C 0.436 177.398 177.300 -0.564 0.000 1.167 188 P CA 0.686 63.462 63.100 -0.540 0.000 0.770 188 P CB 0.043 31.162 31.700 -0.969 0.000 0.837 189 W N 1.707 123.029 121.300 0.035 0.000 3.003 189 W HA 0.106 4.754 4.660 -0.019 0.000 0.257 189 W C 1.055 177.614 176.519 0.066 0.000 1.308 189 W CA -0.455 56.903 57.345 0.022 0.000 1.529 189 W CB -0.079 29.394 29.460 0.023 0.000 1.115 189 W HN 0.030 nan 8.180 nan 0.000 0.659 190 E N 1.512 121.870 120.200 0.262 0.000 2.214 190 E HA 0.326 4.665 4.350 -0.020 0.000 0.274 190 E C -0.334 176.426 176.600 0.267 0.000 0.977 190 E CA -0.858 55.713 56.400 0.286 0.000 0.827 190 E CB 1.501 31.385 29.700 0.306 0.000 1.130 190 E HN -0.345 nan 8.360 nan 0.000 0.394 191 K N 2.209 122.785 120.400 0.294 0.000 2.559 191 K HA 0.352 4.661 4.320 -0.020 0.000 0.249 191 K C -1.128 175.501 176.600 0.048 0.000 0.958 191 K CA -0.635 55.764 56.287 0.186 0.000 0.901 191 K CB 1.344 33.978 32.500 0.223 0.000 1.124 191 K HN 0.708 nan 8.250 nan 0.000 0.437 192 A N 4.324 127.079 122.820 -0.109 0.000 2.498 192 A HA 0.277 4.586 4.320 -0.020 0.000 0.239 192 A C 0.039 177.433 177.584 -0.317 0.000 1.068 192 A CA -0.006 51.708 52.037 -0.538 0.000 0.766 192 A CB 0.252 18.885 19.000 -0.611 0.000 1.003 192 A HN 0.617 nan 8.150 nan 0.000 0.497 193 R N 3.197 123.506 120.500 -0.317 0.000 2.748 193 R HA 0.205 4.533 4.340 -0.020 0.000 0.283 193 R C -2.433 173.754 176.300 -0.189 0.000 1.507 193 R CA -1.702 54.289 56.100 -0.181 0.000 1.666 193 R CB 0.646 31.001 30.300 0.092 0.000 1.237 193 R HN 0.550 nan 8.270 nan 0.000 0.633 194 P HA -0.201 nan 4.420 nan 0.000 0.219 194 P C 0.968 178.184 177.300 -0.139 0.000 1.146 194 P CA 1.195 64.216 63.100 -0.131 0.000 0.808 194 P CB 0.351 31.980 31.700 -0.118 0.000 0.779 195 E N -0.494 119.521 120.200 -0.309 0.000 2.409 195 E HA -0.130 4.208 4.350 -0.020 0.000 0.198 195 E C 0.464 176.866 176.600 -0.330 0.000 1.024 195 E CA 0.805 56.968 56.400 -0.394 0.000 0.861 195 E CB -0.719 28.607 29.700 -0.624 0.000 0.788 195 E HN 0.255 nan 8.360 nan 0.000 0.521 196 F N 1.624 121.586 119.950 0.020 0.000 2.708 196 F HA 0.283 4.798 4.527 -0.020 0.000 0.300 196 F C 0.387 176.270 175.800 0.138 0.000 1.118 196 F CA -0.780 57.259 58.000 0.065 0.000 1.307 196 F CB 0.101 39.133 39.000 0.054 0.000 0.986 196 F HN -0.290 nan 8.300 nan 0.000 0.522 197 T N 3.091 117.791 114.554 0.243 0.000 2.940 197 T HA 0.398 4.736 4.350 -0.020 0.000 0.309 197 T C 0.107 174.907 174.700 0.167 0.000 1.056 197 T CA 0.452 62.687 62.100 0.223 0.000 1.137 197 T CB 0.556 69.508 68.868 0.141 0.000 0.976 197 T HN 0.017 nan 8.240 nan 0.000 0.547 198 L N 5.105 126.394 121.223 0.109 0.000 2.354 198 L HA 0.541 4.869 4.340 -0.020 0.000 0.264 198 L C -2.286 174.534 176.870 -0.083 0.000 1.008 198 L CA -2.587 52.247 54.840 -0.009 0.000 0.819 198 L CB 2.478 44.477 42.059 -0.099 0.000 1.339 198 L HN 0.399 nan 8.230 nan 0.000 0.420 199 P HA 0.294 nan 4.420 nan 0.000 0.288 199 P C -1.171 175.967 177.300 -0.271 0.000 1.267 199 P CA -0.403 62.591 63.100 -0.176 0.000 0.815 199 P CB 2.008 33.597 31.700 -0.184 0.000 0.989 200 V N 3.912 123.648 119.914 -0.297 0.000 2.588 200 V HA 0.310 4.418 4.120 -0.020 0.000 0.304 200 V C -0.261 175.597 176.094 -0.394 0.000 1.042 200 V CA -0.545 61.577 62.300 -0.298 0.000 0.877 200 V CB 1.358 33.071 31.823 -0.183 0.000 0.996 200 V HN 0.588 nan 8.190 nan 0.000 0.425 201 H N 3.806 122.724 119.070 -0.253 0.000 2.479 201 H HA 0.769 5.313 4.556 -0.020 0.000 0.335 201 H C -1.112 173.919 175.328 -0.494 0.000 1.142 201 H CA -0.228 55.574 56.048 -0.410 0.000 1.234 201 H CB 1.385 30.631 29.762 -0.860 0.000 1.503 201 H HN 0.499 nan 8.280 nan 0.000 0.510 202 F N 0.451 120.429 119.950 0.047 0.000 2.613 202 F HA 0.301 4.816 4.527 -0.020 0.000 0.314 202 F C -0.243 175.644 175.800 0.146 0.000 1.075 202 F CA -0.791 57.239 58.000 0.049 0.000 0.945 202 F CB 0.851 39.791 39.000 -0.099 0.000 1.310 202 F HN 0.620 nan 8.300 nan 0.000 0.467 203 Y N 0.307 120.890 120.300 0.471 0.000 2.887 203 Y HA -0.050 4.488 4.550 -0.020 0.000 0.467 203 Y C 1.431 177.578 175.900 0.412 0.000 1.191 203 Y CA 0.899 59.202 58.100 0.338 0.000 2.539 203 Y CB -1.840 36.746 38.460 0.210 0.000 1.225 203 Y HN 1.270 nan 8.280 nan 0.000 0.630 204 G N 0.637 109.703 108.800 0.443 0.000 2.642 204 G HA2 0.080 4.028 3.960 -0.020 0.000 0.231 204 G HA3 0.080 4.028 3.960 -0.020 0.000 0.231 204 G C -0.712 174.398 174.900 0.351 0.000 1.338 204 G CA 0.663 45.942 45.100 0.299 0.000 0.883 204 G HN 1.328 nan 8.290 nan 0.000 0.570 205 R N -2.572 118.125 120.500 0.328 0.000 2.752 205 R HA 0.729 5.057 4.340 -0.020 0.000 0.271 205 R C -1.335 175.093 176.300 0.214 0.000 1.026 205 R CA -1.023 55.215 56.100 0.230 0.000 0.901 205 R CB 1.386 31.768 30.300 0.136 0.000 1.243 205 R HN 0.881 nan 8.270 nan 0.000 0.463 206 V N 1.052 121.009 119.914 0.072 0.000 2.394 206 V HA 0.377 4.485 4.120 -0.020 0.000 0.282 206 V C -0.179 175.838 176.094 -0.129 0.000 1.031 206 V CA -0.513 61.757 62.300 -0.049 0.000 0.881 206 V CB 1.335 33.066 31.823 -0.153 0.000 0.982 206 V HN 0.681 nan 8.190 nan 0.000 0.451 207 E N 2.741 122.837 120.200 -0.173 0.000 2.212 207 E HA 0.459 4.797 4.350 -0.020 0.000 0.268 207 E C -1.159 175.258 176.600 -0.305 0.000 0.902 207 E CA -0.822 55.486 56.400 -0.153 0.000 0.779 207 E CB 1.574 31.249 29.700 -0.041 0.000 1.172 207 E HN 0.667 nan 8.360 nan 0.000 0.409 208 H N 1.830 120.913 119.070 0.022 0.000 2.581 208 H HA 0.164 4.708 4.556 -0.020 0.000 0.308 208 H C 0.192 175.528 175.328 0.014 0.000 1.040 208 H CA -0.274 55.783 56.048 0.015 0.000 1.231 208 H CB 1.202 30.970 29.762 0.008 0.000 1.396 208 H HN 0.539 nan 8.280 nan 0.000 0.467 209 T N -0.695 113.911 114.554 0.088 0.000 2.862 209 T HA 0.087 4.426 4.350 -0.020 0.000 0.276 209 T C 1.717 176.457 174.700 0.066 0.000 0.974 209 T CA -0.199 61.937 62.100 0.060 0.000 0.966 209 T CB 1.344 70.231 68.868 0.033 0.000 1.072 209 T HN 0.489 nan 8.240 nan 0.000 0.538 210 S N 0.243 115.970 115.700 0.045 0.000 2.419 210 S HA -0.188 4.270 4.470 -0.020 0.000 0.233 210 S C 1.662 176.284 174.600 0.037 0.000 1.016 210 S CA 1.325 59.547 58.200 0.037 0.000 0.974 210 S CB -0.815 62.401 63.200 0.027 0.000 0.786 210 S HN 0.923 nan 8.310 nan 0.000 0.492 211 Q N 0.060 119.882 119.800 0.037 0.000 2.220 211 Q HA 0.575 4.903 4.340 -0.020 0.000 0.205 211 Q C 0.667 176.691 176.000 0.041 0.000 0.865 211 Q CA -0.069 55.755 55.803 0.034 0.000 0.960 211 Q CB 0.306 29.060 28.738 0.026 0.000 1.097 211 Q HN 0.583 nan 8.270 nan 0.000 0.493 212 G N 0.146 108.980 108.800 0.057 0.000 2.369 212 G HA2 0.324 4.272 3.960 -0.020 0.000 0.307 212 G HA3 0.324 4.272 3.960 -0.020 0.000 0.307 212 G C -1.573 173.367 174.900 0.066 0.000 1.327 212 G CA -0.624 44.518 45.100 0.069 0.000 0.963 212 G HN 0.424 nan 8.290 nan 0.000 0.590 213 A N -0.064 122.785 122.820 0.048 0.000 2.340 213 A HA 0.780 5.088 4.320 -0.020 0.000 0.268 213 A C 0.244 177.787 177.584 -0.070 0.000 1.100 213 A CA 0.028 52.017 52.037 -0.078 0.000 0.803 213 A CB 0.896 19.840 19.000 -0.093 0.000 1.043 213 A HN 0.668 nan 8.150 nan 0.000 0.488 214 K N 1.026 121.367 120.400 -0.098 0.000 2.443 214 K HA 0.202 4.510 4.320 -0.020 0.000 0.252 214 K C -1.924 174.704 176.600 0.047 0.000 0.933 214 K CA -0.448 55.828 56.287 -0.019 0.000 0.792 214 K CB 1.712 34.200 32.500 -0.019 0.000 1.185 214 K HN 0.759 nan 8.250 nan 0.000 0.425 215 W N 5.927 127.140 121.300 -0.144 0.000 2.342 215 W HA 0.312 4.960 4.660 -0.020 0.000 0.310 215 W C -0.631 175.814 176.519 -0.123 0.000 1.128 215 W CA -0.746 56.517 57.345 -0.136 0.000 1.322 215 W CB -0.011 29.355 29.460 -0.156 0.000 1.251 215 W HN 0.259 nan 8.180 nan 0.000 0.439 216 V N 2.788 122.763 119.914 0.101 0.000 3.158 216 V HA 0.602 4.710 4.120 -0.020 0.000 0.315 216 V C -0.111 175.960 176.094 -0.039 0.000 1.148 216 V CA -0.957 61.318 62.300 -0.041 0.000 1.042 216 V CB 1.870 33.693 31.823 0.000 0.000 1.101 216 V HN 0.443 nan 8.190 nan 0.000 0.448 217 D N 0.448 120.823 120.400 -0.042 0.000 2.708 217 D HA -0.134 4.494 4.640 -0.020 0.000 0.236 217 D C 0.471 176.770 176.300 -0.002 0.000 1.146 217 D CA 1.511 55.509 54.000 -0.003 0.000 0.662 217 D CB -1.493 39.329 40.800 0.036 0.000 1.059 217 D HN 1.293 nan 8.370 nan 0.000 0.428 218 T N -2.744 111.759 114.554 -0.086 0.000 2.922 218 T HA 0.523 4.861 4.350 -0.020 0.000 0.285 218 T C 0.413 175.153 174.700 0.067 0.000 1.005 218 T CA -0.850 61.204 62.100 -0.077 0.000 1.061 218 T CB 2.223 70.842 68.868 -0.415 0.000 1.007 218 T HN 0.029 nan 8.240 nan 0.000 0.502 219 Q N 0.880 120.785 119.800 0.176 0.000 2.235 219 Q HA 0.567 4.895 4.340 -0.020 0.000 0.250 219 Q C -0.832 175.263 176.000 0.158 0.000 0.909 219 Q CA -0.850 55.068 55.803 0.191 0.000 0.910 219 Q CB 1.781 30.704 28.738 0.308 0.000 1.223 219 Q HN 0.519 nan 8.270 nan 0.000 0.432 220 V N 2.653 122.611 119.914 0.074 0.000 2.513 220 V HA 0.479 4.588 4.120 -0.020 0.000 0.299 220 V C -0.399 175.736 176.094 0.069 0.000 1.035 220 V CA -0.677 61.605 62.300 -0.030 0.000 0.889 220 V CB 1.920 33.667 31.823 -0.127 0.000 0.988 220 V HN 0.485 nan 8.190 nan 0.000 0.440 221 V N 5.475 125.453 119.914 0.107 0.000 2.638 221 V HA 0.472 4.580 4.120 -0.020 0.000 0.306 221 V C -0.275 175.915 176.094 0.161 0.000 1.052 221 V CA -0.558 61.850 62.300 0.180 0.000 0.885 221 V CB 1.941 33.957 31.823 0.322 0.000 0.999 221 V HN 0.641 nan 8.190 nan 0.000 0.424 222 L N 3.530 124.846 121.223 0.155 0.000 2.375 222 L HA 0.757 5.085 4.340 -0.020 0.000 0.271 222 L C 0.471 177.510 176.870 0.282 0.000 1.107 222 L CA -0.340 54.587 54.840 0.145 0.000 0.806 222 L CB 1.349 43.477 42.059 0.115 0.000 1.146 222 L HN 0.757 nan 8.230 nan 0.000 0.447 223 A N 4.732 127.659 122.820 0.177 0.000 2.285 223 A HA 0.578 4.886 4.320 -0.020 0.000 0.310 223 A C -0.534 177.301 177.584 0.418 0.000 1.266 223 A CA -0.469 51.694 52.037 0.211 0.000 0.832 223 A CB 0.970 19.654 19.000 -0.526 0.000 1.163 223 A HN 0.777 nan 8.150 nan 0.000 0.499 224 M N 5.915 125.832 119.600 0.529 0.000 2.129 224 M HA 0.472 4.940 4.480 -0.020 0.000 0.348 224 M C -2.607 173.988 176.300 0.492 0.000 1.116 224 M CA -2.109 53.456 55.300 0.441 0.000 1.022 224 M CB 2.033 34.814 32.600 0.302 0.000 1.599 224 M HN 0.354 nan 8.290 nan 0.000 0.449 225 P HA 0.255 nan 4.420 nan 0.000 0.288 225 P C -1.963 175.312 177.300 -0.042 0.000 1.267 225 P CA -0.012 63.040 63.100 -0.080 0.000 0.815 225 P CB 0.534 31.967 31.700 -0.445 0.000 0.989 226 Y N 0.615 120.869 120.300 -0.077 0.000 2.331 226 Y HA 0.305 4.843 4.550 -0.020 0.000 0.334 226 Y C 0.176 176.077 175.900 0.002 0.000 0.960 226 Y CA -0.493 57.615 58.100 0.014 0.000 1.130 226 Y CB 1.602 40.097 38.460 0.058 0.000 1.164 226 Y HN 0.217 nan 8.280 nan 0.000 0.458 227 D N 2.135 122.658 120.400 0.205 0.000 2.168 227 D HA 0.377 5.005 4.640 -0.020 0.000 0.246 227 D C -0.661 175.866 176.300 0.378 0.000 1.050 227 D CA -0.239 53.926 54.000 0.274 0.000 0.857 227 D CB 1.893 42.901 40.800 0.347 0.000 1.169 227 D HN 0.364 nan 8.370 nan 0.000 0.453 228 T N 3.103 117.776 114.554 0.198 0.000 2.824 228 T HA 0.474 4.813 4.350 -0.020 0.000 0.282 228 T C -2.550 171.957 174.700 -0.322 0.000 0.993 228 T CA -1.447 60.661 62.100 0.013 0.000 0.967 228 T CB 2.109 70.990 68.868 0.020 0.000 0.960 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.353 nan 4.420 nan 0.000 0.278 229 P C -0.833 176.125 177.300 -0.570 0.000 1.238 229 P CA -0.530 61.855 63.100 -1.192 0.000 0.794 229 P CB 1.100 31.811 31.700 -1.648 0.000 0.955 230 V N 1.568 121.212 119.914 -0.450 0.000 2.380 230 V HA 0.490 4.598 4.120 -0.020 0.000 0.286 230 V C -2.784 173.178 176.094 -0.221 0.000 1.015 230 V CA -2.720 59.416 62.300 -0.275 0.000 0.834 230 V CB 1.713 33.424 31.823 -0.187 0.000 1.009 230 V HN 0.378 nan 8.190 nan 0.000 0.428 231 P HA 0.369 nan 4.420 nan 0.000 0.280 231 P C 0.433 177.687 177.300 -0.077 0.000 1.244 231 P CA 0.499 63.517 63.100 -0.136 0.000 0.784 231 P CB 1.652 33.272 31.700 -0.134 0.000 0.913 232 G N 2.115 110.886 108.800 -0.047 0.000 2.562 232 G HA2 0.173 4.121 3.960 -0.020 0.000 0.275 232 G HA3 0.173 4.121 3.960 -0.020 0.000 0.275 232 G C -1.200 173.719 174.900 0.032 0.000 1.196 232 G CA -0.448 44.653 45.100 0.003 0.000 0.908 232 G HN 0.461 nan 8.290 nan 0.000 0.524 233 Y N 1.935 122.198 120.300 -0.061 0.000 2.584 233 Y HA 0.188 4.726 4.550 -0.020 0.000 0.351 233 Y C 1.479 177.343 175.900 -0.061 0.000 1.030 233 Y CA -0.557 57.502 58.100 -0.068 0.000 1.332 233 Y CB 0.088 38.506 38.460 -0.070 0.000 1.148 233 Y HN 0.629 nan 8.280 nan 0.000 0.528 234 R N 2.872 123.083 120.500 -0.482 0.000 3.591 234 R HA -0.287 4.041 4.340 -0.020 0.000 0.268 234 R C -0.206 175.963 176.300 -0.219 0.000 1.102 234 R CA 1.053 56.899 56.100 -0.423 0.000 0.732 234 R CB -2.429 27.475 30.300 -0.660 0.000 1.117 234 R HN 0.821 nan 8.270 nan 0.000 0.472 235 N N -0.049 118.574 118.700 -0.129 0.000 2.177 235 N HA -0.019 4.709 4.740 -0.020 0.000 0.218 235 N C -0.064 175.401 175.510 -0.075 0.000 1.182 235 N CA -0.314 52.688 53.050 -0.080 0.000 0.882 235 N CB 0.172 38.637 38.487 -0.037 0.000 1.052 235 N HN 0.141 nan 8.380 nan 0.000 0.519 236 N N -0.466 118.186 118.700 -0.080 0.000 2.741 236 N HA -0.134 4.594 4.740 -0.020 0.000 0.251 236 N C -1.164 174.306 175.510 -0.067 0.000 1.112 236 N CA 0.533 53.543 53.050 -0.067 0.000 0.750 236 N CB -1.628 36.819 38.487 -0.065 0.000 1.119 236 N HN 0.220 nan 8.380 nan 0.000 0.561 237 V N 1.106 120.984 119.914 -0.061 0.000 2.394 237 V HA 0.435 4.543 4.120 -0.020 0.000 0.282 237 V C 0.404 176.465 176.094 -0.055 0.000 1.031 237 V CA -0.571 61.696 62.300 -0.056 0.000 0.881 237 V CB 2.111 33.924 31.823 -0.016 0.000 0.982 237 V HN -0.040 nan 8.190 nan 0.000 0.451 238 V N 5.782 125.664 119.914 -0.053 0.000 2.376 238 V HA 0.480 4.588 4.120 -0.020 0.000 0.287 238 V C -0.022 176.044 176.094 -0.047 0.000 1.015 238 V CA -0.822 61.421 62.300 -0.095 0.000 0.834 238 V CB 1.545 33.303 31.823 -0.108 0.000 1.001 238 V HN 0.816 nan 8.190 nan 0.000 0.428 239 N N 2.030 120.673 118.700 -0.094 0.000 2.476 239 N HA 0.594 5.322 4.740 -0.020 0.000 0.287 239 N C -0.119 175.350 175.510 -0.069 0.000 1.262 239 N CA -0.339 52.679 53.050 -0.054 0.000 0.980 239 N CB 1.437 39.865 38.487 -0.098 0.000 1.163 239 N HN 0.617 nan 8.380 nan 0.000 0.592 240 T N 0.694 115.221 114.554 -0.044 0.000 2.841 240 T HA 0.434 4.773 4.350 -0.020 0.000 0.283 240 T C -0.275 174.390 174.700 -0.057 0.000 1.000 240 T CA -0.518 61.629 62.100 0.078 0.000 0.977 240 T CB 1.211 70.269 68.868 0.317 0.000 0.979 240 T HN 0.294 nan 8.240 nan 0.000 0.446 241 M N 3.487 123.028 119.600 -0.099 0.000 2.078 241 M HA 0.485 4.953 4.480 -0.020 0.000 0.320 241 M C -0.618 175.550 176.300 -0.220 0.000 0.969 241 M CA -0.765 54.391 55.300 -0.239 0.000 0.929 241 M CB 0.847 33.252 32.600 -0.325 0.000 1.504 241 M HN 0.504 nan 8.290 nan 0.000 0.419 242 R N 5.915 126.189 120.500 -0.377 0.000 2.246 242 R HA 0.592 4.921 4.340 -0.020 0.000 0.332 242 R C -1.872 174.173 176.300 -0.425 0.000 0.974 242 R CA -0.385 55.454 56.100 -0.434 0.000 0.837 242 R CB 0.763 30.643 30.300 -0.699 0.000 1.145 242 R HN 0.789 nan 8.270 nan 0.000 0.467 243 L N 5.176 126.250 121.223 -0.247 0.000 2.307 243 L HA 0.486 4.815 4.340 -0.020 0.000 0.284 243 L C -0.687 176.160 176.870 -0.039 0.000 1.023 243 L CA -0.912 53.871 54.840 -0.094 0.000 0.810 243 L CB 1.319 43.399 42.059 0.034 0.000 1.231 243 L HN 0.576 nan 8.230 nan 0.000 0.423 244 W N 1.848 123.273 121.300 0.209 0.000 2.376 244 W HA 0.485 5.133 4.660 -0.020 0.000 0.322 244 W C 0.518 177.256 176.519 0.365 0.000 1.160 244 W CA -0.199 57.291 57.345 0.242 0.000 1.218 244 W CB 1.417 30.890 29.460 0.022 0.000 1.205 244 W HN 0.336 nan 8.180 nan 0.000 0.559 245 S N 1.381 117.503 115.700 0.702 0.000 2.513 245 S HA 0.775 5.234 4.470 -0.020 0.000 0.299 245 S C -0.588 174.375 174.600 0.605 0.000 1.087 245 S CA -0.724 57.794 58.200 0.529 0.000 1.012 245 S CB 0.751 64.218 63.200 0.444 0.000 1.044 245 S HN 0.519 nan 8.310 nan 0.000 0.485 246 A N 4.461 127.486 122.820 0.342 0.000 2.328 246 A HA 0.719 5.027 4.320 -0.020 0.000 0.284 246 A C -0.402 177.287 177.584 0.175 0.000 1.160 246 A CA -0.334 51.816 52.037 0.188 0.000 0.818 246 A CB 0.345 19.188 19.000 -0.261 0.000 1.087 246 A HN 0.596 nan 8.150 nan 0.000 0.504 247 K N 1.047 121.563 120.400 0.194 0.000 2.427 247 K HA 0.635 4.943 4.320 -0.020 0.000 0.252 247 K C -0.395 176.268 176.600 0.105 0.000 0.931 247 K CA -0.388 55.983 56.287 0.140 0.000 0.793 247 K CB 2.160 34.754 32.500 0.156 0.000 1.211 247 K HN 0.821 nan 8.250 nan 0.000 0.426 248 A N 3.746 126.608 122.820 0.070 0.000 2.322 248 A HA 0.592 4.900 4.320 -0.020 0.000 0.269 248 A C -2.144 175.469 177.584 0.049 0.000 1.094 248 A CA -0.976 51.093 52.037 0.053 0.000 0.807 248 A CB -0.311 18.708 19.000 0.032 0.000 1.047 248 A HN 0.356 nan 8.150 nan 0.000 0.487 249 P HA 0.273 nan 4.420 nan 0.000 0.276 249 P C -0.162 177.155 177.300 0.029 0.000 1.252 249 P CA -0.476 62.644 63.100 0.034 0.000 0.802 249 P CB 0.474 32.190 31.700 0.026 0.000 1.035 250 N N -0.612 118.105 118.700 0.028 0.000 2.461 250 N HA -0.040 4.688 4.740 -0.020 0.000 0.188 250 N C 0.316 175.844 175.510 0.031 0.000 1.134 250 N CA 0.241 53.309 53.050 0.029 0.000 0.878 250 N CB -0.025 38.480 38.487 0.030 0.000 0.972 250 N HN 0.578 nan 8.380 nan 0.000 0.456 262 Y N 1.328 121.629 120.300 0.001 0.000 2.181 262 Y HA -0.054 4.484 4.550 -0.020 0.000 0.288 262 Y C 2.364 178.266 175.900 0.002 0.000 1.146 262 Y CA 1.879 59.980 58.100 0.002 0.000 1.164 262 Y CB 0.062 38.523 38.460 0.002 0.000 0.982 262 Y HN 0.343 nan 8.280 nan 0.000 0.515 263 I N 0.705 121.215 120.570 -0.101 0.000 2.163 263 I HA -0.300 3.858 4.170 -0.020 0.000 0.243 263 I C 2.380 178.384 176.117 -0.188 0.000 1.085 263 I CA 1.700 62.884 61.300 -0.195 0.000 1.347 263 I CB -1.371 36.626 38.000 -0.004 0.000 1.044 263 I HN 0.360 nan 8.210 nan 0.000 0.408 264 Q N 1.157 120.897 119.800 -0.099 0.000 2.061 264 Q HA -0.143 4.186 4.340 -0.020 0.000 0.204 264 Q C 2.264 178.202 176.000 -0.103 0.000 0.984 264 Q CA 2.447 58.204 55.803 -0.076 0.000 0.846 264 Q CB -0.488 28.228 28.738 -0.038 0.000 0.902 264 Q HN 0.474 nan 8.270 nan 0.000 0.421 265 A N -0.768 121.978 122.820 -0.123 0.000 1.948 265 A HA -0.169 4.140 4.320 -0.020 0.000 0.220 265 A C 2.274 179.765 177.584 -0.155 0.000 1.177 265 A CA 1.835 53.802 52.037 -0.116 0.000 0.636 265 A CB -0.778 18.165 19.000 -0.095 0.000 0.815 265 A HN 0.281 nan 8.150 nan 0.000 0.449 266 V N -0.111 119.644 119.914 -0.266 0.000 2.407 266 V HA -0.174 3.934 4.120 -0.020 0.000 0.245 266 V C 2.482 178.497 176.094 -0.132 0.000 1.041 266 V CA 1.625 63.786 62.300 -0.232 0.000 1.040 266 V CB -0.622 30.983 31.823 -0.363 0.000 0.671 266 V HN 0.569 nan 8.190 nan 0.000 0.455 267 L N -0.223 120.928 121.223 -0.120 0.000 2.141 267 L HA -0.148 4.180 4.340 -0.020 0.000 0.209 267 L C 1.981 178.821 176.870 -0.050 0.000 1.094 267 L CA 1.248 56.046 54.840 -0.070 0.000 0.763 267 L CB -0.663 41.360 42.059 -0.059 0.000 0.908 267 L HN 0.319 nan 8.230 nan 0.000 0.437 268 D N -0.018 120.350 120.400 -0.054 0.000 2.378 268 D HA -0.079 4.549 4.640 -0.020 0.000 0.227 268 D C 2.140 178.424 176.300 -0.028 0.000 1.012 268 D CA 0.465 54.443 54.000 -0.037 0.000 0.905 268 D CB 0.021 40.799 40.800 -0.037 0.000 0.895 268 D HN 0.248 nan 8.370 nan 0.000 0.532 269 R N 0.361 120.842 120.500 -0.030 0.000 2.115 269 R HA -0.045 4.283 4.340 -0.020 0.000 0.230 269 R C 1.618 177.915 176.300 -0.004 0.000 1.111 269 R CA 0.672 56.763 56.100 -0.015 0.000 0.976 269 R CB -0.114 30.177 30.300 -0.015 0.000 0.870 269 R HN 0.170 nan 8.270 nan 0.000 0.445 270 N N 1.235 119.932 118.700 -0.005 0.000 2.192 270 N HA -0.182 4.546 4.740 -0.020 0.000 0.188 270 N C 1.842 177.352 175.510 -0.000 0.000 1.013 270 N CA 1.046 54.098 53.050 0.005 0.000 0.863 270 N CB -0.300 38.190 38.487 0.005 0.000 0.990 270 N HN 0.239 nan 8.380 nan 0.000 0.430 271 L N 0.648 121.866 121.223 -0.008 0.000 2.043 271 L HA -0.209 4.119 4.340 -0.020 0.000 0.212 271 L C 2.293 179.149 176.870 -0.024 0.000 1.075 271 L CA 1.499 56.330 54.840 -0.014 0.000 0.752 271 L CB -0.458 41.591 42.059 -0.017 0.000 0.891 271 L HN 0.188 nan 8.230 nan 0.000 0.432 272 A N -0.611 122.197 122.820 -0.019 0.000 1.970 272 A HA -0.135 4.174 4.320 -0.020 0.000 0.216 272 A C 1.969 179.524 177.584 -0.048 0.000 1.170 272 A CA 0.940 52.959 52.037 -0.031 0.000 0.645 272 A CB -0.258 18.745 19.000 0.004 0.000 0.816 272 A HN 0.478 nan 8.150 nan 0.000 0.447 273 E N 0.195 120.385 120.200 -0.017 0.000 2.482 273 E HA -0.069 4.269 4.350 -0.020 0.000 0.196 273 E C 0.834 177.429 176.600 -0.010 0.000 1.047 273 E CA 0.112 56.508 56.400 -0.006 0.000 0.869 273 E CB -0.144 29.576 29.700 0.032 0.000 0.836 273 E HN 0.440 nan 8.360 nan 0.000 0.520 274 N N 1.119 119.809 118.700 -0.016 0.000 2.453 274 N HA -0.062 4.666 4.740 -0.020 0.000 0.183 274 N C 1.632 177.139 175.510 -0.005 0.000 1.041 274 N CA 0.522 53.576 53.050 0.007 0.000 0.900 274 N CB -0.021 38.467 38.487 0.002 0.000 0.961 274 N HN 0.256 nan 8.380 nan 0.000 0.443 275 I N 0.332 120.843 120.570 -0.098 0.000 2.194 275 I HA -0.256 3.903 4.170 -0.020 0.000 0.246 275 I C 1.261 177.339 176.117 -0.065 0.000 1.093 275 I CA 1.283 62.487 61.300 -0.159 0.000 1.355 275 I CB -0.182 37.551 38.000 -0.445 0.000 1.046 275 I HN 0.137 nan 8.210 nan 0.000 0.413 276 S N -0.591 115.074 115.700 -0.057 0.000 2.574 276 S HA 0.209 4.667 4.470 -0.020 0.000 0.242 276 S C 1.392 176.128 174.600 0.227 0.000 0.982 276 S CA -0.601 57.654 58.200 0.092 0.000 0.977 276 S CB 0.249 63.493 63.200 0.074 0.000 0.814 276 S HN 0.250 nan 8.310 nan 0.000 0.464 277 R N 0.667 121.302 120.500 0.224 0.000 2.062 277 R HA 0.269 4.597 4.340 -0.020 0.000 0.229 277 R C 0.388 176.938 176.300 0.416 0.000 1.128 277 R CA 1.106 57.382 56.100 0.294 0.000 0.960 277 R CB 0.040 30.465 30.300 0.209 0.000 0.855 277 R HN 0.400 nan 8.270 nan 0.000 0.432 278 V N 0.338 120.447 119.914 0.324 0.000 2.971 278 V HA 0.334 4.442 4.120 -0.020 0.000 0.309 278 V C -1.602 174.466 176.094 -0.044 0.000 1.130 278 V CA -1.282 61.137 62.300 0.199 0.000 0.964 278 V CB 1.872 33.719 31.823 0.041 0.000 1.029 278 V HN 0.136 nan 8.190 nan 0.000 0.427 279 L N 6.379 127.363 121.223 -0.398 0.000 2.360 279 L HA 0.494 4.822 4.340 -0.020 0.000 0.276 279 L C -0.885 175.814 176.870 -0.285 0.000 1.121 279 L CA 0.387 54.763 54.840 -0.774 0.000 0.845 279 L CB 0.580 42.096 42.059 -0.904 0.000 1.143 279 L HN 0.689 nan 8.230 nan 0.000 0.452 280 Y N 6.896 127.104 120.300 -0.153 0.000 2.569 280 Y HA 0.190 4.728 4.550 -0.020 0.000 0.332 280 Y C -1.362 174.534 175.900 -0.006 0.000 1.120 280 Y CA -1.198 56.889 58.100 -0.022 0.000 1.416 280 Y CB 0.414 38.889 38.460 0.025 0.000 1.210 280 Y HN 0.574 nan 8.280 nan 0.000 0.528 281 P HA -0.001 nan 4.420 nan 0.000 0.253 281 P C -1.124 176.309 177.300 0.222 0.000 1.508 281 P CA 0.168 63.382 63.100 0.189 0.000 0.883 281 P CB -0.222 31.682 31.700 0.339 0.000 1.519 282 N N 0.978 119.819 118.700 0.235 0.000 2.426 282 N HA 0.170 4.899 4.740 -0.020 0.000 0.275 282 N C -0.467 175.202 175.510 0.266 0.000 1.019 282 N CA -0.452 52.758 53.050 0.267 0.000 0.941 282 N CB 1.111 39.800 38.487 0.337 0.000 1.123 282 N HN 0.024 nan 8.380 nan 0.000 0.486 283 D N 2.405 122.988 120.400 0.305 0.000 2.303 283 D HA 0.107 4.735 4.640 -0.020 0.000 0.236 283 D C -0.430 176.187 176.300 0.528 0.000 1.068 283 D CA -0.252 53.961 54.000 0.354 0.000 0.830 283 D CB 0.444 41.446 40.800 0.337 0.000 1.109 283 D HN 0.508 nan 8.370 nan 0.000 0.496 284 N N 2.897 121.829 118.700 0.387 0.000 2.738 284 N HA -0.257 4.472 4.740 -0.020 0.000 0.249 284 N C -1.154 174.612 175.510 0.427 0.000 1.047 284 N CA 0.766 54.010 53.050 0.324 0.000 0.707 284 N CB -1.121 37.478 38.487 0.187 0.000 0.937 284 N HN 0.470 nan 8.380 nan 0.000 0.545 285 F N 0.434 120.512 119.950 0.213 0.000 2.622 285 F HA 0.442 4.957 4.527 -0.020 0.000 0.318 285 F C -1.453 174.445 175.800 0.164 0.000 1.135 285 F CA -1.106 56.989 58.000 0.159 0.000 1.015 285 F CB 0.896 39.957 39.000 0.101 0.000 1.275 285 F HN -0.077 nan 8.300 nan 0.000 0.457 286 F N 5.510 125.020 119.950 -0.733 0.000 2.415 286 F HA 0.550 5.065 4.527 -0.020 0.000 0.348 286 F C -0.683 174.711 175.800 -0.677 0.000 1.119 286 F CA -0.393 57.267 58.000 -0.568 0.000 1.069 286 F CB 1.160 39.867 39.000 -0.489 0.000 1.124 286 F HN 0.571 nan 8.300 nan 0.000 0.472 287 E N 3.469 123.016 120.200 -1.089 0.000 2.182 287 E HA 0.414 4.753 4.350 -0.020 0.000 0.258 287 E C -0.143 175.686 176.600 -1.286 0.000 0.879 287 E CA -0.633 55.241 56.400 -0.875 0.000 0.754 287 E CB 1.191 30.751 29.700 -0.234 0.000 1.162 287 E HN 0.895 nan 8.360 nan 0.000 0.419 288 G N 5.274 113.289 108.800 -1.307 0.000 3.213 288 G HA2 0.058 4.006 3.960 -0.020 0.000 0.263 288 G HA3 0.058 4.006 3.960 -0.020 0.000 0.263 288 G C -0.129 174.711 174.900 -0.101 0.000 0.829 288 G CA -0.239 44.334 45.100 -0.878 0.000 1.983 288 G HN 0.214 nan 8.290 nan 0.000 0.616 289 K N 0.509 120.906 120.400 -0.005 0.000 2.110 289 K HA 0.185 4.493 4.320 -0.020 0.000 0.263 289 K C 0.832 177.559 176.600 0.212 0.000 0.975 289 K CA -0.646 55.710 56.287 0.115 0.000 0.895 289 K CB 2.390 34.950 32.500 0.099 0.000 1.060 289 K HN 0.422 nan 8.250 nan 0.000 0.448 290 E N 1.615 121.910 120.200 0.159 0.000 2.085 290 E HA -0.218 4.120 4.350 -0.020 0.000 0.194 290 E C 1.597 178.224 176.600 0.045 0.000 0.994 290 E CA 1.092 57.543 56.400 0.084 0.000 0.801 290 E CB 0.162 29.914 29.700 0.086 0.000 0.743 290 E HN 0.414 nan 8.360 nan 0.000 0.453 291 L N 1.383 122.673 121.223 0.110 0.000 2.042 291 L HA -0.186 4.142 4.340 -0.020 0.000 0.210 291 L C 2.473 179.438 176.870 0.158 0.000 1.076 291 L CA 1.892 56.814 54.840 0.137 0.000 0.749 291 L CB -0.575 41.631 42.059 0.245 0.000 0.893 291 L HN 0.017 nan 8.230 nan 0.000 0.432 292 R N -0.601 119.957 120.500 0.096 0.000 2.096 292 R HA -0.166 4.162 4.340 -0.020 0.000 0.235 292 R C 2.113 178.450 176.300 0.062 0.000 1.127 292 R CA 1.879 57.966 56.100 -0.021 0.000 0.968 292 R CB -0.996 29.078 30.300 -0.377 0.000 0.861 292 R HN 0.421 nan 8.270 nan 0.000 0.440 293 L N 0.807 121.976 121.223 -0.090 0.000 2.093 293 L HA -0.048 4.280 4.340 -0.020 0.000 0.208 293 L C 1.640 178.451 176.870 -0.097 0.000 1.085 293 L CA 1.869 56.457 54.840 -0.419 0.000 0.755 293 L CB -0.380 41.154 42.059 -0.875 0.000 0.904 293 L HN 0.153 nan 8.230 nan 0.000 0.435 294 K N -0.953 119.447 120.400 -0.000 0.000 2.057 294 K HA -0.179 4.129 4.320 -0.020 0.000 0.207 294 K C 2.088 178.861 176.600 0.289 0.000 1.049 294 K CA 1.694 58.069 56.287 0.146 0.000 0.931 294 K CB -0.182 32.215 32.500 -0.173 0.000 0.714 294 K HN 0.506 nan 8.250 nan 0.000 0.440 295 Q N 0.711 120.637 119.800 0.209 0.000 2.084 295 Q HA -0.195 4.133 4.340 -0.020 0.000 0.202 295 Q C 1.974 178.167 176.000 0.322 0.000 0.978 295 Q CA 1.479 57.457 55.803 0.290 0.000 0.844 295 Q CB -0.028 28.902 28.738 0.320 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.426 296 E N -0.131 120.211 120.200 0.236 0.000 2.051 296 E HA -0.217 4.122 4.350 -0.020 0.000 0.192 296 E C 1.742 178.444 176.600 0.170 0.000 0.991 296 E CA 1.133 57.653 56.400 0.199 0.000 0.799 296 E CB -0.180 29.612 29.700 0.153 0.000 0.748 296 E HN 0.395 nan 8.360 nan 0.000 0.449 297 Y N 0.193 120.526 120.300 0.055 0.000 2.242 297 Y HA -0.251 4.287 4.550 -0.020 0.000 0.291 297 Y C 2.092 178.004 175.900 0.020 0.000 1.137 297 Y CA 1.053 59.133 58.100 -0.034 0.000 1.181 297 Y CB -0.083 38.307 38.460 -0.116 0.000 0.989 297 Y HN 0.017 nan 8.280 nan 0.000 0.527 298 F N -0.060 119.849 119.950 -0.069 0.000 2.043 298 F HA -0.298 4.217 4.527 -0.020 0.000 0.297 298 F C 2.466 178.091 175.800 -0.291 0.000 1.121 298 F CA 2.008 59.925 58.000 -0.138 0.000 1.199 298 F CB -1.204 37.875 39.000 0.132 0.000 0.968 298 F HN -0.038 nan 8.300 nan 0.000 0.478 299 V N -0.316 119.542 119.914 -0.094 0.000 2.392 299 V HA -0.234 3.874 4.120 -0.020 0.000 0.249 299 V C 2.195 178.119 176.094 -0.282 0.000 1.059 299 V CA 2.017 64.221 62.300 -0.161 0.000 1.051 299 V CB -0.461 31.476 31.823 0.190 0.000 0.658 299 V HN 0.301 nan 8.190 nan 0.000 0.455 300 V N 0.215 119.973 119.914 -0.261 0.000 2.323 300 V HA -0.147 3.961 4.120 -0.020 0.000 0.244 300 V C 2.788 178.615 176.094 -0.446 0.000 1.041 300 V CA 2.061 64.198 62.300 -0.273 0.000 1.025 300 V CB -1.016 30.710 31.823 -0.161 0.000 0.656 300 V HN 0.644 nan 8.190 nan 0.000 0.451 301 A N -0.153 122.228 122.820 -0.731 0.000 1.902 301 A HA -0.120 4.188 4.320 -0.020 0.000 0.217 301 A C 2.374 179.590 177.584 -0.613 0.000 1.181 301 A CA 2.173 53.785 52.037 -0.708 0.000 0.623 301 A CB -0.763 17.596 19.000 -1.068 0.000 0.818 301 A HN 0.571 nan 8.150 nan 0.000 0.443 302 A N -1.238 121.059 122.820 -0.872 0.000 1.897 302 A HA -0.021 4.287 4.320 -0.020 0.000 0.215 302 A C 2.299 179.407 177.584 -0.793 0.000 1.181 302 A CA 2.143 53.509 52.037 -1.118 0.000 0.620 302 A CB -1.162 16.559 19.000 -2.132 0.000 0.821 302 A HN 0.417 nan 8.150 nan 0.000 0.443 303 T N 0.459 114.656 114.554 -0.596 0.000 2.708 303 T HA -0.092 4.246 4.350 -0.020 0.000 0.266 303 T C 1.814 176.248 174.700 -0.444 0.000 1.037 303 T CA 1.432 63.292 62.100 -0.398 0.000 1.146 303 T CB -0.378 68.251 68.868 -0.398 0.000 0.865 303 T HN 0.332 nan 8.240 nan 0.000 0.435 304 L N 0.644 121.655 121.223 -0.353 0.000 2.131 304 L HA -0.152 4.177 4.340 -0.020 0.000 0.210 304 L C 2.905 179.663 176.870 -0.187 0.000 1.092 304 L CA 1.321 56.009 54.840 -0.254 0.000 0.759 304 L CB -0.418 41.531 42.059 -0.184 0.000 0.903 304 L HN 0.359 nan 8.230 nan 0.000 0.435 305 Q N -0.613 119.072 119.800 -0.193 0.000 2.079 305 Q HA -0.241 4.087 4.340 -0.020 0.000 0.200 305 Q C 1.765 177.728 176.000 -0.063 0.000 0.974 305 Q CA 1.681 57.418 55.803 -0.111 0.000 0.840 305 Q CB -0.002 28.655 28.738 -0.135 0.000 0.898 305 Q HN 0.385 nan 8.270 nan 0.000 0.430 306 D N 0.399 120.757 120.400 -0.071 0.000 2.117 306 D HA -0.115 4.514 4.640 -0.020 0.000 0.197 306 D C 1.635 177.879 176.300 -0.094 0.000 0.987 306 D CA 0.897 54.896 54.000 -0.002 0.000 0.829 306 D CB -0.019 40.880 40.800 0.166 0.000 0.961 306 D HN 0.182 nan 8.370 nan 0.000 0.460 307 I N 0.380 120.800 120.570 -0.250 0.000 2.226 307 I HA -0.224 3.935 4.170 -0.020 0.000 0.245 307 I C 2.017 178.166 176.117 0.054 0.000 1.100 307 I CA 0.460 61.576 61.300 -0.307 0.000 1.374 307 I CB -0.066 37.627 38.000 -0.512 0.000 1.057 307 I HN 0.086 nan 8.210 nan 0.000 0.413 308 I N 1.077 121.717 120.570 0.116 0.000 2.252 308 I HA -0.234 3.924 4.170 -0.020 0.000 0.245 308 I C 2.725 179.005 176.117 0.273 0.000 1.102 308 I CA 1.482 62.953 61.300 0.286 0.000 1.385 308 I CB -1.244 36.868 38.000 0.187 0.000 1.064 308 I HN 0.398 nan 8.210 nan 0.000 0.414 309 R N 1.543 122.125 120.500 0.135 0.000 2.092 309 R HA -0.146 4.182 4.340 -0.020 0.000 0.231 309 R C 2.385 178.735 176.300 0.083 0.000 1.119 309 R CA 1.321 57.477 56.100 0.093 0.000 0.970 309 R CB -0.565 29.764 30.300 0.047 0.000 0.864 309 R HN 0.174 nan 8.270 nan 0.000 0.440 310 R N -0.249 120.302 120.500 0.085 0.000 2.115 310 R HA -0.144 4.185 4.340 -0.020 0.000 0.230 310 R C 1.976 178.364 176.300 0.147 0.000 1.111 310 R CA 1.504 57.653 56.100 0.081 0.000 0.976 310 R CB -0.341 29.994 30.300 0.059 0.000 0.870 310 R HN 0.371 nan 8.270 nan 0.000 0.445 311 F N 1.357 121.348 119.950 0.068 0.000 2.146 311 F HA -0.053 4.463 4.527 -0.020 0.000 0.298 311 F C 1.510 177.329 175.800 0.031 0.000 1.096 311 F CA 1.479 59.528 58.000 0.082 0.000 1.275 311 F CB 0.049 39.184 39.000 0.225 0.000 1.008 311 F HN -0.134 nan 8.300 nan 0.000 0.480 312 K N -0.306 120.020 120.400 -0.124 0.000 2.366 312 K HA 0.040 4.348 4.320 -0.020 0.000 0.198 312 K C 1.093 177.586 176.600 -0.179 0.000 1.044 312 K CA 0.908 57.033 56.287 -0.268 0.000 0.973 312 K CB -0.115 32.340 32.500 -0.075 0.000 0.767 312 K HN 0.070 nan 8.250 nan 0.000 0.475 313 S N 1.211 116.863 115.700 -0.080 0.000 2.699 313 S HA 0.163 4.621 4.470 -0.020 0.000 0.251 313 S C -0.602 173.999 174.600 0.003 0.000 1.179 313 S CA -0.267 57.920 58.200 -0.021 0.000 1.200 313 S CB -0.098 63.113 63.200 0.019 0.000 0.848 313 S HN 0.244 nan 8.310 nan 0.000 0.472 326 F N 2.136 122.198 119.950 0.188 0.000 2.797 326 F HA 0.306 4.821 4.527 -0.020 0.000 0.302 326 F C 1.466 177.339 175.800 0.122 0.000 1.130 326 F CA 0.201 58.288 58.000 0.144 0.000 1.387 326 F CB 0.282 39.247 39.000 -0.059 0.000 1.107 326 F HN 0.181 nan 8.300 nan 0.000 0.577 327 D N 0.297 120.842 120.400 0.241 0.000 2.219 327 D HA -0.087 4.541 4.640 -0.020 0.000 0.205 327 D C 2.094 178.491 176.300 0.162 0.000 0.970 327 D CA 1.018 55.119 54.000 0.168 0.000 0.851 327 D CB 0.134 41.005 40.800 0.119 0.000 0.943 327 D HN 0.287 nan 8.370 nan 0.000 0.488 328 A N -0.274 122.671 122.820 0.208 0.000 2.275 328 A HA 0.044 4.353 4.320 -0.020 0.000 0.212 328 A C 1.523 179.225 177.584 0.198 0.000 1.201 328 A CA -0.336 51.817 52.037 0.193 0.000 0.843 328 A CB -0.442 18.681 19.000 0.206 0.000 0.873 328 A HN 0.052 nan 8.150 nan 0.000 0.492 329 F N 2.099 122.020 119.950 -0.048 0.000 2.043 329 F HA -0.096 4.420 4.527 -0.019 0.000 0.297 329 F C -0.822 174.881 175.800 -0.161 0.000 1.121 329 F CA 2.101 59.894 58.000 -0.346 0.000 1.199 329 F CB -0.948 37.867 39.000 -0.308 0.000 0.968 329 F HN 0.185 nan 8.300 nan 0.000 0.478 330 P HA -0.104 nan 4.420 nan 0.000 0.225 330 P C 0.813 178.056 177.300 -0.095 0.000 1.148 330 P CA 1.548 64.593 63.100 -0.092 0.000 0.779 330 P CB -0.080 31.602 31.700 -0.030 0.000 0.780 331 D N -0.864 119.505 120.400 -0.051 0.000 2.289 331 D HA -0.006 4.622 4.640 -0.020 0.000 0.207 331 D C 1.426 177.706 176.300 -0.033 0.000 0.966 331 D CA 0.863 54.850 54.000 -0.022 0.000 0.868 331 D CB 0.150 40.962 40.800 0.021 0.000 0.943 331 D HN 0.235 nan 8.370 nan 0.000 0.514 332 K N 0.052 120.410 120.400 -0.071 0.000 2.402 332 K HA 0.214 4.522 4.320 -0.020 0.000 0.203 332 K C -0.005 176.497 176.600 -0.163 0.000 1.077 332 K CA 0.081 56.337 56.287 -0.052 0.000 1.051 332 K CB 2.611 35.181 32.500 0.116 0.000 0.907 332 K HN -0.085 nan 8.250 nan 0.000 0.554 333 V N 1.162 120.879 119.914 -0.328 0.000 2.686 333 V HA 0.612 4.720 4.120 -0.020 0.000 0.306 333 V C -1.158 174.803 176.094 -0.220 0.000 1.065 333 V CA -1.153 60.936 62.300 -0.352 0.000 0.894 333 V CB 1.851 33.158 31.823 -0.860 0.000 1.004 333 V HN 0.156 nan 8.190 nan 0.000 0.424 334 A N 5.560 128.311 122.820 -0.115 0.000 2.359 334 A HA 0.914 5.222 4.320 -0.020 0.000 0.303 334 A C -1.067 176.522 177.584 0.009 0.000 1.066 334 A CA -0.405 51.605 52.037 -0.046 0.000 0.730 334 A CB 1.010 19.930 19.000 -0.134 0.000 1.211 334 A HN 0.765 nan 8.150 nan 0.000 0.439 335 I N 2.004 122.636 120.570 0.103 0.000 2.382 335 I HA 0.289 4.447 4.170 -0.020 0.000 0.285 335 I C -0.263 175.956 176.117 0.170 0.000 1.007 335 I CA -0.522 60.864 61.300 0.142 0.000 1.142 335 I CB 1.919 39.987 38.000 0.113 0.000 1.289 335 I HN 0.710 nan 8.210 nan 0.000 0.453 336 Q N 6.857 126.769 119.800 0.186 0.000 2.303 336 Q HA 0.505 4.834 4.340 -0.020 0.000 0.257 336 Q C -1.336 174.709 176.000 0.075 0.000 0.941 336 Q CA -0.198 55.758 55.803 0.254 0.000 0.931 336 Q CB 1.226 30.251 28.738 0.477 0.000 1.215 336 Q HN 0.570 nan 8.270 nan 0.000 0.437 337 L N 3.873 125.166 121.223 0.116 0.000 2.257 337 L HA 0.402 4.730 4.340 -0.020 0.000 0.290 337 L C 0.011 176.934 176.870 0.088 0.000 1.044 337 L CA -0.759 54.129 54.840 0.081 0.000 0.810 337 L CB 0.778 42.918 42.059 0.135 0.000 1.193 337 L HN 0.573 nan 8.230 nan 0.000 0.425 338 N N 4.384 123.048 118.700 -0.060 0.000 2.508 338 N HA 0.073 4.801 4.740 -0.020 0.000 0.253 338 N C -0.202 175.351 175.510 0.072 0.000 1.145 338 N CA 0.531 53.590 53.050 0.015 0.000 0.973 338 N CB -0.094 38.279 38.487 -0.191 0.000 1.305 338 N HN 0.628 nan 8.380 nan 0.000 0.506 339 D N -0.198 120.355 120.400 0.256 0.000 4.199 339 D HA -0.218 4.411 4.640 -0.020 0.000 0.291 339 D C 0.290 176.686 176.300 0.161 0.000 2.213 339 D CA 1.457 55.581 54.000 0.207 0.000 1.174 339 D CB -0.540 40.075 40.800 -0.310 0.000 1.012 339 D HN 0.488 nan 8.370 nan 0.000 1.213 340 T N -2.399 112.157 114.554 0.003 0.000 3.129 340 T HA 0.110 4.448 4.350 -0.020 0.000 0.251 340 T C 1.637 176.388 174.700 0.085 0.000 1.117 340 T CA 1.429 63.509 62.100 -0.033 0.000 1.034 340 T CB -0.483 68.342 68.868 -0.072 0.000 0.968 340 T HN 0.495 nan 8.240 nan 0.000 0.526 341 H N 2.678 121.834 119.070 0.144 0.000 2.353 341 H HA -0.022 4.522 4.556 -0.020 0.000 0.298 341 H C -0.851 174.562 175.328 0.142 0.000 1.103 341 H CA 1.166 57.315 56.048 0.168 0.000 1.293 341 H CB -0.858 29.004 29.762 0.166 0.000 1.372 341 H HN 0.437 nan 8.280 nan 0.000 0.501 342 P HA 0.075 nan 4.420 nan 0.000 0.259 342 P C 0.739 178.079 177.300 0.067 0.000 1.530 342 P CA 0.355 63.533 63.100 0.130 0.000 1.022 342 P CB 0.326 32.093 31.700 0.113 0.000 1.514 343 S N -0.337 115.394 115.700 0.050 0.000 2.442 343 S HA -0.111 4.347 4.470 -0.020 0.000 0.236 343 S C 1.685 176.284 174.600 -0.001 0.000 1.007 343 S CA 0.744 58.934 58.200 -0.017 0.000 0.965 343 S CB -1.433 61.727 63.200 -0.067 0.000 0.773 343 S HN 0.152 nan 8.310 nan 0.000 0.504 344 L N 0.840 122.078 121.223 0.025 0.000 2.549 344 L HA 0.082 4.410 4.340 -0.020 0.000 0.229 344 L C 2.863 179.769 176.870 0.059 0.000 1.158 344 L CA 0.580 55.438 54.840 0.031 0.000 0.842 344 L CB -0.670 41.405 42.059 0.027 0.000 0.952 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.422 123.258 122.820 0.027 0.000 1.972 345 A HA -0.173 4.135 4.320 -0.020 0.000 0.219 345 A C 2.159 179.748 177.584 0.008 0.000 1.169 345 A CA 1.369 53.410 52.037 0.008 0.000 0.635 345 A CB -0.399 18.597 19.000 -0.007 0.000 0.810 345 A HN 0.352 nan 8.150 nan 0.000 0.446 346 I N 0.306 120.881 120.570 0.009 0.000 2.133 346 I HA -0.134 4.024 4.170 -0.020 0.000 0.238 346 I C -0.407 175.734 176.117 0.041 0.000 1.074 346 I CA 1.557 62.862 61.300 0.008 0.000 1.342 346 I CB -0.763 37.244 38.000 0.012 0.000 1.053 346 I HN 0.240 nan 8.210 nan 0.000 0.404 347 P HA -0.150 nan 4.420 nan 0.000 0.225 347 P C 1.256 178.570 177.300 0.023 0.000 1.156 347 P CA 1.379 64.513 63.100 0.057 0.000 0.787 347 P CB 0.059 31.809 31.700 0.083 0.000 0.802 348 E N 0.228 120.507 120.200 0.131 0.000 2.107 348 E HA -0.130 4.209 4.350 -0.020 0.000 0.191 348 E C 1.881 178.467 176.600 -0.022 0.000 0.982 348 E CA 0.581 57.073 56.400 0.153 0.000 0.809 348 E CB -1.164 28.692 29.700 0.259 0.000 0.756 348 E HN -0.015 nan 8.360 nan 0.000 0.459 349 L N 0.013 121.201 121.223 -0.059 0.000 2.093 349 L HA -0.050 4.278 4.340 -0.020 0.000 0.208 349 L C 2.031 178.774 176.870 -0.212 0.000 1.085 349 L CA 1.687 56.441 54.840 -0.143 0.000 0.755 349 L CB -0.522 41.465 42.059 -0.121 0.000 0.904 349 L HN 0.240 nan 8.230 nan 0.000 0.435 350 M N -0.825 118.662 119.600 -0.188 0.000 2.132 350 M HA -0.179 4.289 4.480 -0.020 0.000 0.263 350 M C 2.413 178.541 176.300 -0.287 0.000 1.065 350 M CA 1.433 56.561 55.300 -0.287 0.000 1.122 350 M CB -1.120 31.291 32.600 -0.315 0.000 1.365 350 M HN 0.328 nan 8.290 nan 0.000 0.411 351 R N 0.027 120.384 120.500 -0.238 0.000 2.091 351 R HA -0.131 4.197 4.340 -0.020 0.000 0.238 351 R C 2.019 178.210 176.300 -0.182 0.000 1.136 351 R CA 1.586 57.546 56.100 -0.234 0.000 0.959 351 R CB -0.138 29.966 30.300 -0.327 0.000 0.856 351 R HN 0.198 nan 8.270 nan 0.000 0.437 352 V N 1.350 121.157 119.914 -0.179 0.000 2.270 352 V HA -0.244 3.864 4.120 -0.020 0.000 0.245 352 V C 2.433 178.367 176.094 -0.266 0.000 1.043 352 V CA 1.735 63.926 62.300 -0.182 0.000 1.014 352 V CB -0.428 31.285 31.823 -0.183 0.000 0.645 352 V HN 0.340 nan 8.190 nan 0.000 0.447 353 L N -0.541 120.458 121.223 -0.374 0.000 2.079 353 L HA -0.159 4.169 4.340 -0.020 0.000 0.210 353 L C 2.354 179.036 176.870 -0.313 0.000 1.081 353 L CA 1.184 55.737 54.840 -0.479 0.000 0.752 353 L CB -0.515 41.221 42.059 -0.539 0.000 0.896 353 L HN 0.215 nan 8.230 nan 0.000 0.433 354 V N -0.928 118.841 119.914 -0.241 0.000 2.374 354 V HA -0.154 3.954 4.120 -0.020 0.000 0.241 354 V C 1.912 177.959 176.094 -0.078 0.000 1.034 354 V CA 1.510 63.727 62.300 -0.138 0.000 1.037 354 V CB -0.238 31.516 31.823 -0.116 0.000 0.682 354 V HN 0.327 nan 8.190 nan 0.000 0.463 355 D N -0.009 120.339 120.400 -0.086 0.000 2.137 355 D HA -0.005 4.623 4.640 -0.020 0.000 0.202 355 D C 2.055 178.327 176.300 -0.048 0.000 0.970 355 D CA 1.183 55.151 54.000 -0.052 0.000 0.837 355 D CB 0.075 40.841 40.800 -0.058 0.000 0.981 355 D HN 0.309 nan 8.370 nan 0.000 0.475 356 L N 0.276 121.455 121.223 -0.073 0.000 2.262 356 L HA 0.095 4.423 4.340 -0.020 0.000 0.197 356 L C 1.935 178.774 176.870 -0.052 0.000 1.073 356 L CA 0.529 55.338 54.840 -0.053 0.000 0.800 356 L CB -0.163 41.865 42.059 -0.052 0.000 0.987 356 L HN -0.181 nan 8.230 nan 0.000 0.470 357 E N 0.698 120.833 120.200 -0.109 0.000 2.435 357 E HA -0.018 4.320 4.350 -0.020 0.000 0.195 357 E C 0.249 176.814 176.600 -0.058 0.000 1.029 357 E CA 0.011 56.357 56.400 -0.090 0.000 0.865 357 E CB 0.157 29.690 29.700 -0.279 0.000 0.833 357 E HN 0.245 nan 8.360 nan 0.000 0.510 358 R N 0.162 120.622 120.500 -0.066 0.000 3.651 358 R HA -0.173 4.156 4.340 -0.020 0.000 0.292 358 R C 0.052 176.338 176.300 -0.023 0.000 1.161 358 R CA 0.387 56.470 56.100 -0.028 0.000 0.787 358 R CB -2.465 27.836 30.300 0.003 0.000 1.249 358 R HN 0.205 nan 8.270 nan 0.000 0.476 359 L N 1.502 122.684 121.223 -0.068 0.000 2.466 359 L HA 0.155 4.483 4.340 -0.020 0.000 0.257 359 L C 1.367 178.231 176.870 -0.011 0.000 1.189 359 L CA -0.205 54.608 54.840 -0.045 0.000 0.813 359 L CB 0.286 42.278 42.059 -0.112 0.000 1.118 359 L HN 0.122 nan 8.230 nan 0.000 0.471 360 D N -0.343 120.075 120.400 0.029 0.000 2.339 360 D HA -0.105 4.523 4.640 -0.020 0.000 0.245 360 D C 0.876 177.241 176.300 0.109 0.000 1.115 360 D CA -0.553 53.498 54.000 0.085 0.000 0.917 360 D CB 1.242 42.098 40.800 0.093 0.000 1.192 360 D HN 0.643 nan 8.370 nan 0.000 0.428 361 W N 2.303 123.608 121.300 0.007 0.000 2.304 361 W HA -0.249 4.399 4.660 -0.020 0.000 0.315 361 W C 0.949 177.514 176.519 0.078 0.000 1.233 361 W CA 2.013 59.369 57.345 0.019 0.000 1.261 361 W CB -0.159 29.291 29.460 -0.016 0.000 1.150 361 W HN 0.501 nan 8.180 nan 0.000 0.494 362 D N 0.072 120.667 120.400 0.326 0.000 2.144 362 D HA -0.185 4.444 4.640 -0.020 0.000 0.200 362 D C 1.883 178.288 176.300 0.176 0.000 0.978 362 D CA 1.744 55.914 54.000 0.284 0.000 0.833 362 D CB -0.330 40.611 40.800 0.235 0.000 0.961 362 D HN 0.119 nan 8.370 nan 0.000 0.470 363 K N 1.558 122.019 120.400 0.101 0.000 2.057 363 K HA -0.007 4.301 4.320 -0.020 0.000 0.206 363 K C 1.883 178.483 176.600 -0.000 0.000 1.050 363 K CA 1.346 57.667 56.287 0.057 0.000 0.935 363 K CB -0.459 32.069 32.500 0.047 0.000 0.715 363 K HN -0.019 nan 8.250 nan 0.000 0.439 364 A N 0.702 123.480 122.820 -0.069 0.000 1.883 364 A HA -0.190 4.118 4.320 -0.020 0.000 0.217 364 A C 2.261 179.769 177.584 -0.127 0.000 1.186 364 A CA 1.520 53.449 52.037 -0.180 0.000 0.624 364 A CB -1.276 17.542 19.000 -0.305 0.000 0.822 364 A HN 0.696 nan 8.150 nan 0.000 0.444 365 W N 0.804 121.915 121.300 -0.314 0.000 2.358 365 W HA -0.212 4.436 4.660 -0.019 0.000 0.303 365 W C 2.069 178.545 176.519 -0.071 0.000 1.208 365 W CA 1.947 59.161 57.345 -0.218 0.000 1.274 365 W CB -0.111 29.272 29.460 -0.128 0.000 1.138 365 W HN 0.655 nan 8.180 nan 0.000 0.515 366 E N 0.216 120.418 120.200 0.004 0.000 2.058 366 E HA -0.234 4.104 4.350 -0.020 0.000 0.194 366 E C 1.977 178.508 176.600 -0.116 0.000 0.997 366 E CA 2.157 58.520 56.400 -0.062 0.000 0.801 366 E CB -0.537 29.185 29.700 0.037 0.000 0.746 366 E HN 0.056 nan 8.360 nan 0.000 0.450 367 V N 0.990 120.858 119.914 -0.077 0.000 2.343 367 V HA -0.264 3.844 4.120 -0.020 0.000 0.247 367 V C 2.422 178.473 176.094 -0.071 0.000 1.051 367 V CA 2.196 64.475 62.300 -0.035 0.000 1.036 367 V CB -0.795 31.013 31.823 -0.025 0.000 0.654 367 V HN 0.428 nan 8.190 nan 0.000 0.451 368 T N 0.015 114.454 114.554 -0.192 0.000 2.674 368 T HA -0.168 4.170 4.350 -0.020 0.000 0.265 368 T C 1.948 176.475 174.700 -0.289 0.000 1.039 368 T CA 1.764 63.718 62.100 -0.243 0.000 1.150 368 T CB -0.269 68.385 68.868 -0.357 0.000 0.864 368 T HN 0.291 nan 8.240 nan 0.000 0.427 369 V N 1.318 120.942 119.914 -0.483 0.000 2.407 369 V HA -0.150 3.958 4.120 -0.020 0.000 0.248 369 V C 2.388 178.439 176.094 -0.071 0.000 1.055 369 V CA 1.564 63.645 62.300 -0.365 0.000 1.049 369 V CB -0.489 31.055 31.823 -0.466 0.000 0.662 369 V HN 0.434 nan 8.190 nan 0.000 0.455 370 K N -0.491 119.849 120.400 -0.100 0.000 2.283 370 K HA -0.092 4.216 4.320 -0.020 0.000 0.202 370 K C 2.099 178.665 176.600 -0.057 0.000 1.048 370 K CA 1.561 57.775 56.287 -0.122 0.000 0.948 370 K CB -0.135 32.296 32.500 -0.115 0.000 0.742 370 K HN 0.493 nan 8.250 nan 0.000 0.458 371 T N 0.008 114.584 114.554 0.038 0.000 3.010 371 T HA 0.033 4.371 4.350 -0.020 0.000 0.252 371 T C 0.892 175.693 174.700 0.168 0.000 1.047 371 T CA 0.315 62.464 62.100 0.082 0.000 1.140 371 T CB 0.123 69.056 68.868 0.108 0.000 0.885 371 T HN 0.152 nan 8.240 nan 0.000 0.464 372 C N 2.379 121.763 119.300 0.141 0.000 2.405 372 C HA 0.875 5.324 4.460 -0.020 0.000 0.365 372 C C 0.620 175.669 174.990 0.098 0.000 1.233 372 C CA -1.239 57.847 59.018 0.113 0.000 2.230 372 C CB 0.031 27.780 27.740 0.015 0.000 2.443 372 C HN 0.598 nan 8.230 nan 0.000 0.556 373 A N 1.792 124.661 122.820 0.082 0.000 2.515 373 A HA 0.751 5.059 4.320 -0.020 0.000 0.298 373 A C -1.596 176.065 177.584 0.128 0.000 1.059 373 A CA -0.370 51.658 52.037 -0.015 0.000 0.698 373 A CB 1.127 20.133 19.000 0.009 0.000 1.289 373 A HN 0.922 nan 8.150 nan 0.000 0.404 374 Y N 0.976 121.229 120.300 -0.078 0.000 2.409 374 Y HA 0.695 5.233 4.550 -0.019 0.000 0.343 374 Y C -0.585 175.305 175.900 -0.017 0.000 0.973 374 Y CA -0.596 57.477 58.100 -0.045 0.000 1.064 374 Y CB 2.092 40.484 38.460 -0.113 0.000 1.207 374 Y HN 0.555 nan 8.280 nan 0.000 0.452 375 T N 6.866 121.235 114.554 -0.307 0.000 2.770 375 T HA 0.243 4.582 4.350 -0.020 0.000 0.283 375 T C -0.714 173.547 174.700 -0.732 0.000 0.988 375 T CA -0.804 61.040 62.100 -0.427 0.000 0.957 375 T CB 0.352 69.206 68.868 -0.023 0.000 0.930 375 T HN 0.668 nan 8.240 nan 0.000 0.443 376 N N 1.674 119.932 118.700 -0.737 0.000 2.498 376 N HA 0.140 4.868 4.740 -0.020 0.000 0.287 376 N C 0.046 175.411 175.510 -0.243 0.000 1.097 376 N CA -0.307 52.536 53.050 -0.346 0.000 0.973 376 N CB 0.777 39.223 38.487 -0.069 0.000 1.153 376 N HN 0.677 nan 8.380 nan 0.000 0.472 377 H N 0.810 119.910 119.070 0.051 0.000 3.058 377 H HA 0.170 4.714 4.556 -0.020 0.000 0.266 377 H C -0.216 175.035 175.328 -0.129 0.000 1.135 377 H CA -0.033 55.988 56.048 -0.045 0.000 1.174 377 H CB 1.197 30.948 29.762 -0.019 0.000 1.581 377 H HN 0.513 nan 8.280 nan 0.000 0.553 378 T N 0.298 114.889 114.554 0.062 0.000 2.893 378 T HA 0.225 4.564 4.350 -0.020 0.000 0.337 378 T C 0.352 175.079 174.700 0.044 0.000 1.587 378 T CA -0.332 61.755 62.100 -0.022 0.000 1.066 378 T CB 1.332 70.180 68.868 -0.033 0.000 1.414 378 T HN -0.037 nan 8.240 nan 0.000 0.488 379 V N 1.597 121.496 119.914 -0.025 0.000 3.605 379 V HA 0.557 4.665 4.120 -0.020 0.000 0.284 379 V C 0.756 176.810 176.094 -0.065 0.000 1.386 379 V CA -0.074 62.199 62.300 -0.044 0.000 1.053 379 V CB -0.304 31.493 31.823 -0.043 0.000 0.857 379 V HN 0.713 nan 8.190 nan 0.000 0.436 380 L N 3.240 124.410 121.223 -0.090 0.000 2.534 380 L HA 0.187 4.515 4.340 -0.020 0.000 0.271 380 L C -0.551 176.308 176.870 -0.019 0.000 1.178 380 L CA -0.845 53.960 54.840 -0.058 0.000 0.907 380 L CB 1.021 43.018 42.059 -0.103 0.000 1.164 380 L HN 0.162 nan 8.230 nan 0.000 0.482 381 P HA -0.204 nan 4.420 nan 0.000 0.218 381 P C 0.912 178.204 177.300 -0.015 0.000 1.148 381 P CA 1.201 64.294 63.100 -0.011 0.000 0.822 381 P CB 0.045 31.743 31.700 -0.003 0.000 0.784 382 E N 0.178 120.391 120.200 0.022 0.000 2.516 382 E HA -0.006 4.332 4.350 -0.020 0.000 0.199 382 E C 1.473 178.036 176.600 -0.063 0.000 1.069 382 E CA 0.817 57.212 56.400 -0.007 0.000 0.876 382 E CB -0.627 29.145 29.700 0.120 0.000 0.843 382 E HN 0.204 nan 8.360 nan 0.000 0.530 383 A N 1.044 123.864 122.820 -0.000 0.000 2.220 383 A HA 0.227 4.535 4.320 -0.020 0.000 0.211 383 A C 1.187 178.759 177.584 -0.020 0.000 1.176 383 A CA -0.302 51.755 52.037 0.034 0.000 0.834 383 A CB 0.125 19.166 19.000 0.068 0.000 0.868 383 A HN 0.142 nan 8.150 nan 0.000 0.488 384 L N 1.852 123.018 121.223 -0.095 0.000 2.360 384 L HA 0.143 4.471 4.340 -0.020 0.000 0.276 384 L C -0.192 176.351 176.870 -0.545 0.000 1.121 384 L CA 0.183 54.906 54.840 -0.194 0.000 0.845 384 L CB 0.540 42.520 42.059 -0.130 0.000 1.143 384 L HN 0.410 nan 8.230 nan 0.000 0.452 385 E N 4.775 124.552 120.200 -0.706 0.000 2.217 385 E HA 0.187 4.526 4.350 -0.020 0.000 0.279 385 E C -0.528 175.434 176.600 -1.064 0.000 1.068 385 E CA -0.147 55.377 56.400 -1.459 0.000 0.882 385 E CB 0.608 29.810 29.700 -0.831 0.000 1.039 385 E HN 0.396 nan 8.360 nan 0.000 0.418 386 R N 3.828 123.586 120.500 -1.236 0.000 2.472 386 R HA 0.208 4.536 4.340 -0.020 0.000 0.294 386 R C -1.208 174.878 176.300 -0.358 0.000 1.243 386 R CA -0.597 55.191 56.100 -0.521 0.000 1.023 386 R CB 0.810 30.932 30.300 -0.297 0.000 1.157 386 R HN 0.432 nan 8.270 nan 0.000 0.530 387 W N 4.410 125.650 121.300 -0.100 0.000 2.311 387 W HA 0.272 4.920 4.660 -0.020 0.000 0.310 387 W C -1.934 174.562 176.519 -0.037 0.000 1.274 387 W CA -2.150 55.202 57.345 0.010 0.000 1.215 387 W CB 0.686 30.136 29.460 -0.017 0.000 1.227 387 W HN 0.262 nan 8.180 nan 0.000 0.523 388 P HA -0.103 nan 4.420 nan 0.000 0.268 388 P C 0.840 178.106 177.300 -0.057 0.000 1.204 388 P CA 0.140 63.243 63.100 0.006 0.000 0.768 388 P CB 0.860 32.462 31.700 -0.162 0.000 0.842 389 V N 2.928 122.854 119.914 0.021 0.000 2.626 389 V HA -0.264 3.845 4.120 -0.020 0.000 0.252 389 V C 1.825 177.936 176.094 0.028 0.000 1.067 389 V CA 2.213 64.532 62.300 0.033 0.000 1.081 389 V CB -1.873 30.024 31.823 0.124 0.000 0.686 389 V HN 0.663 nan 8.190 nan 0.000 0.468 390 H N -0.348 118.781 119.070 0.098 0.000 2.491 390 H HA -0.027 4.517 4.556 -0.020 0.000 0.290 390 H C 1.784 177.162 175.328 0.083 0.000 1.050 390 H CA 1.955 58.055 56.048 0.087 0.000 1.309 390 H CB -0.525 29.289 29.762 0.087 0.000 1.392 390 H HN 0.469 nan 8.280 nan 0.000 0.554 391 L N -0.071 120.966 121.223 -0.310 0.000 2.162 391 L HA 0.129 4.457 4.340 -0.020 0.000 0.205 391 L C 2.062 178.887 176.870 -0.075 0.000 1.086 391 L CA 1.052 55.823 54.840 -0.115 0.000 0.778 391 L CB -0.415 41.552 42.059 -0.153 0.000 0.928 391 L HN 0.395 nan 8.230 nan 0.000 0.446 392 L N -0.400 120.759 121.223 -0.107 0.000 2.156 392 L HA -0.143 4.185 4.340 -0.020 0.000 0.208 392 L C 2.496 179.298 176.870 -0.113 0.000 1.095 392 L CA 1.364 56.114 54.840 -0.149 0.000 0.770 392 L CB -0.419 41.546 42.059 -0.157 0.000 0.914 392 L HN 0.456 nan 8.230 nan 0.000 0.439 393 E N -1.188 118.988 120.200 -0.040 0.000 2.216 393 E HA -0.200 4.138 4.350 -0.020 0.000 0.192 393 E C 1.978 178.607 176.600 0.048 0.000 0.988 393 E CA 1.477 57.872 56.400 -0.007 0.000 0.834 393 E CB -0.240 29.487 29.700 0.046 0.000 0.772 393 E HN 0.300 nan 8.360 nan 0.000 0.479 394 T N -0.358 114.252 114.554 0.093 0.000 2.976 394 T HA -0.007 4.332 4.350 -0.020 0.000 0.257 394 T C 1.717 176.536 174.700 0.199 0.000 1.051 394 T CA 0.545 62.752 62.100 0.179 0.000 1.141 394 T CB -0.026 68.978 68.868 0.227 0.000 0.881 394 T HN 0.179 nan 8.240 nan 0.000 0.461 395 L N -0.005 121.234 121.223 0.027 0.000 2.202 395 L HA 0.529 4.857 4.340 -0.020 0.000 0.205 395 L C 0.479 177.278 176.870 -0.118 0.000 1.083 395 L CA 1.335 56.068 54.840 -0.178 0.000 0.790 395 L CB 0.181 42.100 42.059 -0.234 0.000 0.942 395 L HN 0.282 nan 8.230 nan 0.000 0.452 396 L N 0.684 121.800 121.223 -0.178 0.000 2.625 396 L HA 0.300 4.628 4.340 -0.020 0.000 0.255 396 L C -1.672 175.008 176.870 -0.316 0.000 1.493 396 L CA -0.987 53.658 54.840 -0.325 0.000 0.796 396 L CB 0.834 42.534 42.059 -0.598 0.000 1.064 396 L HN -0.071 nan 8.230 nan 0.000 0.516 397 P HA -0.234 nan 4.420 nan 0.000 0.216 397 P C 1.457 178.550 177.300 -0.345 0.000 1.154 397 P CA 1.276 64.246 63.100 -0.217 0.000 0.865 397 P CB 0.368 32.020 31.700 -0.081 0.000 0.789 398 R N -0.387 119.728 120.500 -0.643 0.000 2.115 398 R HA -0.118 4.210 4.340 -0.020 0.000 0.226 398 R C 2.274 178.250 176.300 -0.539 0.000 1.100 398 R CA 1.568 57.293 56.100 -0.626 0.000 0.980 398 R CB -1.595 28.155 30.300 -0.916 0.000 0.875 398 R HN 0.262 nan 8.270 nan 0.000 0.445 399 H N -0.722 118.019 119.070 -0.549 0.000 2.389 399 H HA -0.027 4.517 4.556 -0.020 0.000 0.299 399 H C 1.506 176.641 175.328 -0.322 0.000 1.081 399 H CA 1.467 57.280 56.048 -0.392 0.000 1.345 399 H CB -0.110 29.388 29.762 -0.440 0.000 1.393 399 H HN 0.107 nan 8.280 nan 0.000 0.520 400 L N 0.765 121.837 121.223 -0.252 0.000 2.141 400 L HA -0.160 4.168 4.340 -0.020 0.000 0.209 400 L C 1.812 178.397 176.870 -0.476 0.000 1.094 400 L CA 1.558 56.162 54.840 -0.393 0.000 0.763 400 L CB -0.362 41.477 42.059 -0.368 0.000 0.908 400 L HN 0.262 nan 8.230 nan 0.000 0.437 401 Q N -0.687 118.961 119.800 -0.253 0.000 2.079 401 Q HA -0.151 4.178 4.340 -0.020 0.000 0.200 401 Q C 2.300 178.279 176.000 -0.034 0.000 0.974 401 Q CA 1.861 57.611 55.803 -0.088 0.000 0.840 401 Q CB -0.158 28.557 28.738 -0.038 0.000 0.898 401 Q HN 0.553 nan 8.270 nan 0.000 0.430 402 I N 0.510 121.051 120.570 -0.048 0.000 2.315 402 I HA -0.267 3.891 4.170 -0.020 0.000 0.248 402 I C 2.130 178.310 176.117 0.104 0.000 1.117 402 I CA 1.020 62.386 61.300 0.109 0.000 1.404 402 I CB -0.132 37.884 38.000 0.027 0.000 1.071 402 I HN 0.191 nan 8.210 nan 0.000 0.419 403 I N -0.338 120.212 120.570 -0.033 0.000 2.226 403 I HA -0.326 3.832 4.170 -0.020 0.000 0.245 403 I C 2.342 178.497 176.117 0.064 0.000 1.100 403 I CA 1.687 62.974 61.300 -0.022 0.000 1.374 403 I CB -0.389 37.536 38.000 -0.125 0.000 1.057 403 I HN 0.195 nan 8.210 nan 0.000 0.413 404 Y N 0.479 120.781 120.300 0.003 0.000 2.181 404 Y HA -0.317 4.222 4.550 -0.020 0.000 0.288 404 Y C 2.709 178.574 175.900 -0.059 0.000 1.146 404 Y CA 0.949 59.038 58.100 -0.018 0.000 1.164 404 Y CB -0.095 38.347 38.460 -0.030 0.000 0.982 404 Y HN 0.163 nan 8.280 nan 0.000 0.515 405 E N 1.038 121.279 120.200 0.069 0.000 2.051 405 E HA -0.192 4.146 4.350 -0.020 0.000 0.192 405 E C 1.870 178.386 176.600 -0.140 0.000 0.991 405 E CA 1.436 57.736 56.400 -0.168 0.000 0.799 405 E CB -0.488 28.956 29.700 -0.425 0.000 0.748 405 E HN 0.438 nan 8.360 nan 0.000 0.449 406 I N 0.774 121.354 120.570 0.017 0.000 2.163 406 I HA -0.326 3.833 4.170 -0.020 0.000 0.243 406 I C 2.330 178.446 176.117 -0.003 0.000 1.085 406 I CA 1.478 62.742 61.300 -0.060 0.000 1.347 406 I CB -0.453 37.526 38.000 -0.036 0.000 1.044 406 I HN 0.242 nan 8.210 nan 0.000 0.408 407 N N 0.606 119.355 118.700 0.082 0.000 2.043 407 N HA -0.280 4.448 4.740 -0.020 0.000 0.193 407 N C 1.842 177.435 175.510 0.138 0.000 1.037 407 N CA 1.634 54.780 53.050 0.160 0.000 0.851 407 N CB -0.193 38.407 38.487 0.188 0.000 1.027 407 N HN 0.172 nan 8.380 nan 0.000 0.422 408 Q N 0.761 120.586 119.800 0.042 0.000 2.096 408 Q HA -0.009 4.320 4.340 -0.020 0.000 0.204 408 Q C 1.944 177.929 176.000 -0.025 0.000 0.982 408 Q CA 1.656 57.451 55.803 -0.013 0.000 0.850 408 Q CB -0.213 28.477 28.738 -0.079 0.000 0.901 408 Q HN 0.388 nan 8.270 nan 0.000 0.422 409 R N -1.364 119.100 120.500 -0.059 0.000 2.148 409 R HA -0.038 4.290 4.340 -0.020 0.000 0.223 409 R C 2.016 178.345 176.300 0.049 0.000 1.088 409 R CA 1.029 57.092 56.100 -0.062 0.000 0.985 409 R CB -0.317 29.887 30.300 -0.159 0.000 0.880 409 R HN 0.264 nan 8.270 nan 0.000 0.451 410 F N 1.114 121.044 119.950 -0.032 0.000 2.163 410 F HA -0.039 4.477 4.527 -0.020 0.000 0.297 410 F C 1.716 177.547 175.800 0.052 0.000 1.094 410 F CA 1.201 59.232 58.000 0.052 0.000 1.290 410 F CB -0.110 38.955 39.000 0.108 0.000 1.017 410 F HN -0.123 nan 8.300 nan 0.000 0.483 411 L N 0.087 121.340 121.223 0.049 0.000 2.191 411 L HA -0.237 4.091 4.340 -0.020 0.000 0.212 411 L C 1.960 178.770 176.870 -0.101 0.000 1.103 411 L CA 1.553 56.356 54.840 -0.061 0.000 0.769 411 L CB -0.876 41.206 42.059 0.038 0.000 0.908 411 L HN 0.278 nan 8.230 nan 0.000 0.438 412 N N -0.306 118.352 118.700 -0.071 0.000 2.142 412 N HA -0.151 4.577 4.740 -0.020 0.000 0.186 412 N C 1.920 177.377 175.510 -0.088 0.000 1.023 412 N CA 0.724 53.733 53.050 -0.068 0.000 0.852 412 N CB 0.042 38.496 38.487 -0.055 0.000 0.998 412 N HN 0.264 nan 8.380 nan 0.000 0.424 413 R N 0.643 121.074 120.500 -0.116 0.000 2.073 413 R HA -0.083 4.245 4.340 -0.020 0.000 0.234 413 R C 2.232 178.437 176.300 -0.158 0.000 1.134 413 R CA 1.023 57.050 56.100 -0.121 0.000 0.952 413 R CB -0.523 29.704 30.300 -0.122 0.000 0.850 413 R HN 0.074 nan 8.270 nan 0.000 0.433 414 V N 1.120 120.885 119.914 -0.249 0.000 2.282 414 V HA -0.297 3.811 4.120 -0.020 0.000 0.249 414 V C 2.454 178.539 176.094 -0.016 0.000 1.057 414 V CA 2.092 64.304 62.300 -0.147 0.000 1.032 414 V CB -0.824 30.846 31.823 -0.257 0.000 0.645 414 V HN 0.455 nan 8.190 nan 0.000 0.447 415 A N -0.267 122.522 122.820 -0.052 0.000 1.978 415 A HA -0.100 4.208 4.320 -0.020 0.000 0.220 415 A C 2.355 179.916 177.584 -0.038 0.000 1.170 415 A CA 2.084 54.108 52.037 -0.022 0.000 0.636 415 A CB -0.637 18.342 19.000 -0.035 0.000 0.810 415 A HN 0.606 nan 8.150 nan 0.000 0.448 416 A N -0.599 122.178 122.820 -0.071 0.000 1.968 416 A HA 0.330 4.638 4.320 -0.020 0.000 0.217 416 A C 2.349 179.841 177.584 -0.153 0.000 1.169 416 A CA 1.592 53.575 52.037 -0.090 0.000 0.638 416 A CB -0.635 18.316 19.000 -0.081 0.000 0.812 416 A HN 0.958 nan 8.150 nan 0.000 0.446 417 A N -1.757 120.925 122.820 -0.229 0.000 2.021 417 A HA 0.400 4.708 4.320 -0.020 0.000 0.216 417 A C 0.450 177.539 177.584 -0.825 0.000 1.163 417 A CA 0.454 52.175 52.037 -0.527 0.000 0.676 417 A CB -0.173 18.449 19.000 -0.629 0.000 0.818 417 A HN 0.431 nan 8.150 nan 0.000 0.453 418 F N -0.137 119.766 119.950 -0.079 0.000 2.646 418 F HA 0.318 4.833 4.527 -0.020 0.000 0.336 418 F C -2.776 172.986 175.800 -0.062 0.000 1.437 418 F CA -2.365 55.593 58.000 -0.070 0.000 1.142 418 F CB 0.916 39.865 39.000 -0.083 0.000 1.530 418 F HN -0.079 nan 8.300 nan 0.000 0.591 419 P HA 0.140 nan 4.420 nan 0.000 0.261 419 P C 1.021 178.340 177.300 0.032 0.000 1.183 419 P CA 1.258 64.370 63.100 0.019 0.000 0.761 419 P CB 0.788 32.481 31.700 -0.012 0.000 0.785 420 G N 2.789 111.601 108.800 0.020 0.000 2.225 420 G HA2 -0.251 3.697 3.960 -0.020 0.000 0.254 420 G HA3 -0.251 3.697 3.960 -0.020 0.000 0.254 420 G C 0.422 175.331 174.900 0.014 0.000 0.988 420 G CA 0.036 45.144 45.100 0.013 0.000 0.625 420 G HN 0.590 nan 8.290 nan 0.000 0.527 421 D N 1.648 122.066 120.400 0.030 0.000 2.600 421 D HA 0.335 4.964 4.640 -0.020 0.000 0.226 421 D C 2.177 178.466 176.300 -0.017 0.000 1.119 421 D CA 0.495 54.498 54.000 0.004 0.000 1.051 421 D CB 0.240 41.041 40.800 0.002 0.000 1.106 421 D HN 0.660 nan 8.370 nan 0.000 0.491 422 V N -0.009 119.897 119.914 -0.014 0.000 2.626 422 V HA -0.123 3.985 4.120 -0.020 0.000 0.252 422 V C 1.689 177.770 176.094 -0.021 0.000 1.067 422 V CA 1.225 63.516 62.300 -0.015 0.000 1.081 422 V CB -0.103 31.715 31.823 -0.009 0.000 0.686 422 V HN 0.241 nan 8.190 nan 0.000 0.468 423 D N 0.642 121.025 120.400 -0.029 0.000 2.149 423 D HA -0.167 4.461 4.640 -0.020 0.000 0.201 423 D C 2.344 178.615 176.300 -0.048 0.000 0.972 423 D CA 1.465 55.447 54.000 -0.030 0.000 0.835 423 D CB 0.050 40.831 40.800 -0.031 0.000 0.966 423 D HN 0.527 nan 8.370 nan 0.000 0.476 424 R N 0.537 120.984 120.500 -0.090 0.000 2.096 424 R HA -0.079 4.250 4.340 -0.020 0.000 0.235 424 R C 2.562 178.795 176.300 -0.113 0.000 1.127 424 R CA 0.647 56.657 56.100 -0.149 0.000 0.968 424 R CB -0.226 29.918 30.300 -0.260 0.000 0.861 424 R HN 0.169 nan 8.270 nan 0.000 0.440 425 L N 0.359 121.541 121.223 -0.069 0.000 2.083 425 L HA -0.163 4.165 4.340 -0.020 0.000 0.209 425 L C 2.926 179.803 176.870 0.012 0.000 1.083 425 L CA 1.524 56.344 54.840 -0.034 0.000 0.752 425 L CB -0.491 41.556 42.059 -0.020 0.000 0.899 425 L HN 0.281 nan 8.230 nan 0.000 0.433 426 R N 0.446 120.954 120.500 0.015 0.000 2.075 426 R HA -0.128 4.200 4.340 -0.020 0.000 0.232 426 R C 2.445 178.796 176.300 0.086 0.000 1.126 426 R CA 1.235 57.364 56.100 0.048 0.000 0.963 426 R CB -0.051 30.269 30.300 0.033 0.000 0.858 426 R HN 0.280 nan 8.270 nan 0.000 0.435 427 R N -0.221 120.314 120.500 0.059 0.000 2.115 427 R HA -0.034 4.294 4.340 -0.020 0.000 0.230 427 R C 2.178 178.575 176.300 0.163 0.000 1.111 427 R CA 1.611 57.774 56.100 0.105 0.000 0.976 427 R CB -0.106 30.214 30.300 0.034 0.000 0.870 427 R HN 0.332 nan 8.270 nan 0.000 0.445 428 M N 0.129 119.751 119.600 0.037 0.000 2.541 428 M HA 0.037 4.505 4.480 -0.020 0.000 0.252 428 M C 0.920 177.424 176.300 0.339 0.000 1.125 428 M CA 0.069 55.368 55.300 -0.002 0.000 1.091 428 M CB 0.303 32.747 32.600 -0.261 0.000 1.420 428 M HN -0.084 nan 8.290 nan 0.000 0.486 429 S N 0.956 116.840 115.700 0.307 0.000 2.558 429 S HA 0.001 4.460 4.470 -0.020 0.000 0.291 429 S C 0.962 175.818 174.600 0.427 0.000 1.306 429 S CA -0.334 58.062 58.200 0.327 0.000 1.056 429 S CB 0.602 63.927 63.200 0.208 0.000 0.836 429 S HN 0.227 nan 8.310 nan 0.000 0.504 430 L N 5.471 126.893 121.223 0.332 0.000 2.313 430 L HA 0.196 4.525 4.340 -0.020 0.000 0.214 430 L C 0.414 177.390 176.870 0.176 0.000 1.119 430 L CA 0.846 55.834 54.840 0.247 0.000 0.809 430 L CB -0.263 41.896 42.059 0.166 0.000 0.933 430 L HN 0.484 nan 8.230 nan 0.000 0.449 431 V N 0.040 120.070 119.914 0.194 0.000 2.370 431 V HA 0.207 4.316 4.120 -0.020 0.000 0.279 431 V C 0.160 176.334 176.094 0.133 0.000 1.029 431 V CA -0.831 61.569 62.300 0.167 0.000 0.870 431 V CB 1.436 33.374 31.823 0.193 0.000 0.984 431 V HN 0.132 nan 8.190 nan 0.000 0.451 432 E N 4.309 124.568 120.200 0.099 0.000 2.115 432 E HA 0.277 4.616 4.350 -0.020 0.000 0.282 432 E C -0.139 176.504 176.600 0.073 0.000 0.987 432 E CA -0.553 55.893 56.400 0.078 0.000 0.797 432 E CB 0.786 30.508 29.700 0.038 0.000 1.086 432 E HN 0.629 nan 8.360 nan 0.000 0.397 433 E N 1.938 122.178 120.200 0.068 0.000 2.421 433 E HA 0.507 4.846 4.350 -0.020 0.000 0.253 433 E C 0.365 176.996 176.600 0.052 0.000 1.277 433 E CA 0.234 56.668 56.400 0.057 0.000 0.968 433 E CB 1.228 30.955 29.700 0.046 0.000 1.040 433 E HN 0.806 nan 8.360 nan 0.000 0.512 434 G N -1.302 107.527 108.800 0.048 0.000 2.359 434 G HA2 0.149 4.097 3.960 -0.020 0.000 0.303 434 G HA3 0.149 4.097 3.960 -0.020 0.000 0.303 434 G C 0.348 175.277 174.900 0.049 0.000 1.293 434 G CA 0.183 45.310 45.100 0.045 0.000 0.964 434 G HN 0.457 nan 8.290 nan 0.000 0.531 435 A N -1.075 121.773 122.820 0.047 0.000 1.883 435 A HA 0.317 4.626 4.320 -0.020 0.000 0.217 435 A C 1.408 179.032 177.584 0.067 0.000 1.186 435 A CA 2.447 54.513 52.037 0.049 0.000 0.624 435 A CB -0.493 18.532 19.000 0.043 0.000 0.822 435 A HN 1.651 nan 8.150 nan 0.000 0.444 436 V N 1.140 121.102 119.914 0.079 0.000 2.334 436 V HA 0.217 4.325 4.120 -0.020 0.000 0.267 436 V C 0.110 176.267 176.094 0.106 0.000 1.040 436 V CA -0.636 61.731 62.300 0.113 0.000 0.866 436 V CB 0.741 32.638 31.823 0.123 0.000 1.019 436 V HN 0.386 nan 8.190 nan 0.000 0.468 437 K N 4.588 125.059 120.400 0.119 0.000 2.401 437 K HA 0.409 4.717 4.320 -0.020 0.000 0.278 437 K C 0.032 176.698 176.600 0.110 0.000 1.018 437 K CA 0.186 56.540 56.287 0.112 0.000 0.981 437 K CB 0.528 33.106 32.500 0.130 0.000 0.933 437 K HN 0.631 nan 8.250 nan 0.000 0.477 438 R N 2.697 123.252 120.500 0.091 0.000 2.808 438 R HA 0.452 4.780 4.340 -0.020 0.000 0.272 438 R C -0.898 175.442 176.300 0.066 0.000 0.995 438 R CA -1.019 55.124 56.100 0.072 0.000 0.917 438 R CB 1.303 31.623 30.300 0.035 0.000 1.217 438 R HN 0.403 nan 8.270 nan 0.000 0.471 439 I N 2.073 122.680 120.570 0.062 0.000 2.321 439 I HA 0.146 4.304 4.170 -0.020 0.000 0.291 439 I C -0.080 176.020 176.117 -0.029 0.000 0.998 439 I CA -0.654 60.672 61.300 0.044 0.000 1.227 439 I CB 1.100 39.134 38.000 0.056 0.000 1.368 439 I HN 0.487 nan 8.210 nan 0.000 0.466 440 N N 7.366 126.014 118.700 -0.086 0.000 2.439 440 N HA 0.089 4.818 4.740 -0.020 0.000 0.243 440 N C 0.851 176.248 175.510 -0.188 0.000 1.088 440 N CA -0.341 52.572 53.050 -0.229 0.000 0.940 440 N CB 0.923 39.120 38.487 -0.483 0.000 1.180 440 N HN 0.383 nan 8.380 nan 0.000 0.505 441 M N 2.304 121.805 119.600 -0.165 0.000 2.279 441 M HA -0.086 4.383 4.480 -0.020 0.000 0.264 441 M C 1.924 178.077 176.300 -0.245 0.000 1.062 441 M CA 0.762 55.979 55.300 -0.138 0.000 1.099 441 M CB -1.579 30.983 32.600 -0.063 0.000 1.394 441 M HN 0.594 nan 8.290 nan 0.000 0.426 442 A N -0.437 122.234 122.820 -0.249 0.000 1.902 442 A HA -0.175 4.133 4.320 -0.020 0.000 0.217 442 A C 1.997 179.347 177.584 -0.390 0.000 1.181 442 A CA 1.501 53.359 52.037 -0.298 0.000 0.623 442 A CB -1.133 17.878 19.000 0.018 0.000 0.818 442 A HN 0.602 nan 8.150 nan 0.000 0.443 443 H N -1.502 117.326 119.070 -0.403 0.000 2.389 443 H HA -0.096 4.448 4.556 -0.020 0.000 0.299 443 H C 2.088 177.158 175.328 -0.431 0.000 1.081 443 H CA 1.101 56.846 56.048 -0.505 0.000 1.345 443 H CB -0.008 29.666 29.762 -0.147 0.000 1.393 443 H HN 0.445 nan 8.280 nan 0.000 0.520 444 L N 0.600 121.723 121.223 -0.167 0.000 2.046 444 L HA -0.156 4.172 4.340 -0.020 0.000 0.208 444 L C 2.204 178.936 176.870 -0.230 0.000 1.077 444 L CA 1.428 56.177 54.840 -0.152 0.000 0.747 444 L CB -0.717 41.288 42.059 -0.090 0.000 0.896 444 L HN 0.275 nan 8.230 nan 0.000 0.432 445 C N -0.410 118.652 119.300 -0.396 0.000 2.446 445 C HA -0.084 4.364 4.460 -0.020 0.000 0.277 445 C C 2.705 177.464 174.990 -0.385 0.000 1.275 445 C CA 0.874 59.590 59.018 -0.503 0.000 1.727 445 C CB -0.899 26.154 27.740 -1.144 0.000 2.010 445 C HN 0.614 nan 8.230 nan 0.000 0.486 446 I N 1.422 121.720 120.570 -0.453 0.000 2.226 446 I HA -0.199 3.959 4.170 -0.020 0.000 0.245 446 I C 2.730 178.703 176.117 -0.240 0.000 1.100 446 I CA 1.653 62.727 61.300 -0.377 0.000 1.374 446 I CB -0.489 37.128 38.000 -0.639 0.000 1.057 446 I HN 0.266 nan 8.210 nan 0.000 0.413 447 A N 0.383 123.024 122.820 -0.298 0.000 1.933 447 A HA -0.076 4.232 4.320 -0.020 0.000 0.218 447 A C 2.177 179.807 177.584 0.077 0.000 1.175 447 A CA 1.814 53.723 52.037 -0.214 0.000 0.628 447 A CB -1.043 17.628 19.000 -0.548 0.000 0.814 447 A HN 0.478 nan 8.150 nan 0.000 0.444 448 G N -1.115 107.668 108.800 -0.029 0.000 3.434 448 G HA2 0.428 4.376 3.960 -0.020 0.000 0.258 448 G HA3 0.428 4.376 3.960 -0.020 0.000 0.258 448 G C 0.045 174.792 174.900 -0.255 0.000 1.128 448 G CA 0.412 45.373 45.100 -0.231 0.000 0.792 448 G HN 0.330 nan 8.290 nan 0.000 0.539 449 S N -0.310 115.298 115.700 -0.155 0.000 2.568 449 S HA 0.332 4.790 4.470 -0.020 0.000 0.302 449 S C 0.751 175.311 174.600 -0.066 0.000 1.082 449 S CA -0.715 57.420 58.200 -0.109 0.000 1.009 449 S CB 1.270 64.411 63.200 -0.099 0.000 1.069 449 S HN 0.505 nan 8.310 nan 0.000 0.500 450 H N -0.220 118.818 119.070 -0.052 0.000 2.551 450 H HA 0.519 5.063 4.556 -0.020 0.000 0.266 450 H C 0.106 175.426 175.328 -0.014 0.000 0.964 450 H CA 0.236 56.278 56.048 -0.009 0.000 1.180 450 H CB 0.170 29.939 29.762 0.012 0.000 1.408 450 H HN 0.518 nan 8.280 nan 0.000 0.563 451 A N 0.925 123.470 122.820 -0.458 0.000 2.520 451 A HA 0.554 4.862 4.320 -0.020 0.000 0.298 451 A C -1.486 175.903 177.584 -0.325 0.000 1.051 451 A CA -0.565 51.240 52.037 -0.385 0.000 0.690 451 A CB 2.212 20.943 19.000 -0.450 0.000 1.281 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 4.079 123.764 119.914 -0.380 0.000 2.525 452 V HA 0.532 4.640 4.120 -0.020 0.000 0.299 452 V C -0.732 175.170 176.094 -0.320 0.000 1.034 452 V CA -0.756 61.307 62.300 -0.394 0.000 0.863 452 V CB 1.796 33.239 31.823 -0.634 0.000 0.999 452 V HN 1.022 nan 8.190 nan 0.000 0.423 453 N N 3.093 121.626 118.700 -0.279 0.000 2.265 453 N HA 0.632 5.360 4.740 -0.020 0.000 0.300 453 N C -0.280 175.134 175.510 -0.159 0.000 1.148 453 N CA -0.370 52.562 53.050 -0.195 0.000 0.772 453 N CB 2.971 41.319 38.487 -0.231 0.000 1.434 453 N HN 0.638 nan 8.380 nan 0.000 0.481 454 G N -0.789 107.960 108.800 -0.084 0.000 2.531 454 G HA2 0.425 4.373 3.960 -0.020 0.000 0.313 454 G HA3 0.425 4.373 3.960 -0.020 0.000 0.313 454 G C 0.698 175.667 174.900 0.114 0.000 1.238 454 G CA -0.539 44.578 45.100 0.028 0.000 0.994 454 G HN 0.644 nan 8.290 nan 0.000 0.493 455 V N -3.632 116.447 119.914 0.275 0.000 3.319 455 V HA 0.703 4.811 4.120 -0.020 0.000 0.317 455 V C 0.483 176.654 176.094 0.128 0.000 1.411 455 V CA 0.274 62.653 62.300 0.131 0.000 1.112 455 V CB -0.763 31.092 31.823 0.053 0.000 1.031 455 V HN 1.407 nan 8.190 nan 0.000 0.448 456 A N -0.121 122.786 122.820 0.145 0.000 2.594 456 A HA 0.617 4.925 4.320 -0.020 0.000 0.296 456 A C 0.644 178.278 177.584 0.083 0.000 1.056 456 A CA -0.097 52.005 52.037 0.107 0.000 0.693 456 A CB 1.120 20.174 19.000 0.090 0.000 1.278 456 A HN 0.052 nan 8.150 nan 0.000 0.408 457 R N 1.005 121.533 120.500 0.047 0.000 2.113 457 R HA -0.180 4.148 4.340 -0.020 0.000 0.244 457 R C 1.694 177.993 176.300 -0.001 0.000 1.142 457 R CA 2.362 58.469 56.100 0.010 0.000 0.953 457 R CB -0.231 30.070 30.300 0.001 0.000 0.860 457 R HN 0.831 nan 8.270 nan 0.000 0.438 458 I N 0.204 120.783 120.570 0.014 0.000 2.315 458 I HA -0.293 3.865 4.170 -0.020 0.000 0.248 458 I C 2.502 178.629 176.117 0.016 0.000 1.117 458 I CA 1.582 62.883 61.300 0.001 0.000 1.404 458 I CB -0.316 37.684 38.000 0.002 0.000 1.071 458 I HN 0.385 nan 8.210 nan 0.000 0.419 459 H N -0.066 118.976 119.070 -0.048 0.000 2.363 459 H HA -0.112 4.432 4.556 -0.020 0.000 0.301 459 H C 2.194 177.485 175.328 -0.062 0.000 1.074 459 H CA 1.637 57.651 56.048 -0.057 0.000 1.354 459 H CB 0.229 29.964 29.762 -0.045 0.000 1.397 459 H HN 0.301 nan 8.280 nan 0.000 0.516 460 S N 0.578 116.163 115.700 -0.191 0.000 2.399 460 S HA -0.095 4.363 4.470 -0.020 0.000 0.231 460 S C 1.879 176.354 174.600 -0.207 0.000 1.022 460 S CA 0.950 59.015 58.200 -0.226 0.000 0.983 460 S CB 0.011 63.154 63.200 -0.095 0.000 0.803 460 S HN 0.463 nan 8.310 nan 0.000 0.480 461 E N 1.142 121.243 120.200 -0.166 0.000 2.107 461 E HA 0.050 4.388 4.350 -0.020 0.000 0.191 461 E C 1.974 178.453 176.600 -0.202 0.000 0.982 461 E CA 0.554 56.846 56.400 -0.180 0.000 0.809 461 E CB -0.326 29.301 29.700 -0.122 0.000 0.756 461 E HN 0.499 nan 8.360 nan 0.000 0.459 462 I N 0.889 121.351 120.570 -0.180 0.000 2.361 462 I HA -0.254 3.904 4.170 -0.020 0.000 0.251 462 I C 2.302 178.278 176.117 -0.234 0.000 1.133 462 I CA 0.692 61.888 61.300 -0.172 0.000 1.413 462 I CB -0.141 37.787 38.000 -0.120 0.000 1.073 462 I HN 0.058 nan 8.210 nan 0.000 0.424 463 L N 0.214 121.258 121.223 -0.299 0.000 2.046 463 L HA -0.220 4.109 4.340 -0.020 0.000 0.208 463 L C 2.401 179.130 176.870 -0.235 0.000 1.077 463 L CA 1.535 56.203 54.840 -0.286 0.000 0.747 463 L CB -0.498 41.459 42.059 -0.170 0.000 0.896 463 L HN 0.157 nan 8.230 nan 0.000 0.432 464 K N -0.138 120.055 120.400 -0.345 0.000 2.155 464 K HA -0.084 4.224 4.320 -0.020 0.000 0.203 464 K C 2.062 178.445 176.600 -0.361 0.000 1.052 464 K CA 0.878 56.823 56.287 -0.570 0.000 0.948 464 K CB 0.110 32.035 32.500 -0.959 0.000 0.728 464 K HN 0.180 nan 8.250 nan 0.000 0.448 465 K N -0.237 120.009 120.400 -0.256 0.000 2.262 465 K HA -0.015 4.294 4.320 -0.020 0.000 0.200 465 K C 1.773 178.308 176.600 -0.110 0.000 1.049 465 K CA 1.473 57.665 56.287 -0.158 0.000 0.979 465 K CB 0.423 32.842 32.500 -0.135 0.000 0.773 465 K HN 0.307 nan 8.250 nan 0.000 0.474 466 T N -1.258 113.220 114.554 -0.128 0.000 2.995 466 T HA 0.052 4.391 4.350 -0.020 0.000 0.170 466 T C 1.928 176.575 174.700 -0.089 0.000 0.844 466 T CA 0.073 62.113 62.100 -0.099 0.000 1.137 466 T CB -0.812 67.992 68.868 -0.108 0.000 2.193 466 T HN 0.095 nan 8.240 nan 0.000 0.384 467 I N -0.447 120.014 120.570 -0.182 0.000 2.236 467 I HA -0.001 4.158 4.170 -0.020 0.000 0.249 467 I C 1.654 177.772 176.117 0.002 0.000 1.102 467 I CA 1.750 62.920 61.300 -0.216 0.000 1.365 467 I CB -0.733 36.946 38.000 -0.536 0.000 1.051 467 I HN 0.321 nan 8.210 nan 0.000 0.420 468 F N 0.643 120.667 119.950 0.123 0.000 2.708 468 F HA 0.314 4.829 4.527 -0.020 0.000 0.300 468 F C 2.044 177.936 175.800 0.154 0.000 1.118 468 F CA -0.626 57.528 58.000 0.258 0.000 1.307 468 F CB 0.089 39.250 39.000 0.269 0.000 0.986 468 F HN -0.065 nan 8.300 nan 0.000 0.522 469 K N 1.070 121.575 120.400 0.175 0.000 2.089 469 K HA -0.234 4.075 4.320 -0.020 0.000 0.210 469 K C 1.306 177.949 176.600 0.071 0.000 1.048 469 K CA 2.142 58.472 56.287 0.073 0.000 0.926 469 K CB -0.029 32.480 32.500 0.015 0.000 0.714 469 K HN 0.183 nan 8.250 nan 0.000 0.448 470 D N -0.270 120.145 120.400 0.025 0.000 2.144 470 D HA -0.152 4.476 4.640 -0.020 0.000 0.199 470 D C 1.767 177.938 176.300 -0.216 0.000 0.984 470 D CA 1.198 55.076 54.000 -0.204 0.000 0.834 470 D CB -0.240 40.333 40.800 -0.379 0.000 0.955 470 D HN 0.241 nan 8.370 nan 0.000 0.465 471 F N -0.320 119.705 119.950 0.125 0.000 2.206 471 F HA -0.102 4.413 4.527 -0.020 0.000 0.298 471 F C 2.288 178.231 175.800 0.239 0.000 1.090 471 F CA 0.348 58.500 58.000 0.253 0.000 1.323 471 F CB -0.665 38.556 39.000 0.367 0.000 1.028 471 F HN -0.039 nan 8.300 nan 0.000 0.492 472 Y N 1.427 121.695 120.300 -0.053 0.000 2.224 472 Y HA -0.182 4.356 4.550 -0.020 0.000 0.289 472 Y C 2.078 177.960 175.900 -0.031 0.000 1.146 472 Y CA 1.598 59.487 58.100 -0.352 0.000 1.182 472 Y CB -0.602 37.471 38.460 -0.645 0.000 0.983 472 Y HN 0.130 nan 8.280 nan 0.000 0.524 473 E N -0.423 119.716 120.200 -0.102 0.000 2.150 473 E HA -0.178 4.161 4.350 -0.020 0.000 0.193 473 E C 1.954 178.598 176.600 0.074 0.000 0.985 473 E CA 1.116 57.465 56.400 -0.086 0.000 0.814 473 E CB -0.203 29.487 29.700 -0.017 0.000 0.752 473 E HN 0.432 nan 8.360 nan 0.000 0.466 474 L N 0.849 122.153 121.223 0.134 0.000 2.095 474 L HA -0.031 4.298 4.340 -0.020 0.000 0.204 474 L C 0.171 177.123 176.870 0.137 0.000 1.080 474 L CA 1.526 56.486 54.840 0.201 0.000 0.759 474 L CB 0.439 42.613 42.059 0.193 0.000 0.914 474 L HN -0.107 nan 8.230 nan 0.000 0.439 475 E N -0.137 120.141 120.200 0.131 0.000 3.132 475 E HA 0.181 4.520 4.350 -0.020 0.000 0.241 475 E C -2.029 174.524 176.600 -0.078 0.000 1.196 475 E CA -1.310 55.085 56.400 -0.009 0.000 0.869 475 E CB 0.813 30.492 29.700 -0.034 0.000 1.387 475 E HN 0.162 nan 8.360 nan 0.000 0.393 476 P HA -0.246 nan 4.420 nan 0.000 0.216 476 P C 1.101 178.504 177.300 0.172 0.000 1.150 476 P CA 1.526 64.536 63.100 -0.150 0.000 0.837 476 P CB -0.024 31.460 31.700 -0.360 0.000 0.786 477 H N -0.624 118.548 119.070 0.171 0.000 2.489 477 H HA 0.032 4.576 4.556 -0.020 0.000 0.293 477 H C 1.876 177.298 175.328 0.158 0.000 1.066 477 H CA 1.056 57.196 56.048 0.153 0.000 1.305 477 H CB -0.839 28.983 29.762 0.100 0.000 1.386 477 H HN 0.105 nan 8.280 nan 0.000 0.551 478 K N -0.033 120.259 120.400 -0.180 0.000 2.155 478 K HA 0.025 4.333 4.320 -0.020 0.000 0.203 478 K C -0.444 176.007 176.600 -0.247 0.000 1.052 478 K CA 0.231 56.395 56.287 -0.206 0.000 0.948 478 K CB 0.110 32.369 32.500 -0.401 0.000 0.728 478 K HN 0.178 nan 8.250 nan 0.000 0.448 479 F N 1.901 121.883 119.950 0.054 0.000 2.438 479 F HA 0.154 4.669 4.527 -0.020 0.000 0.356 479 F C 0.549 176.353 175.800 0.007 0.000 1.099 479 F CA -0.041 57.989 58.000 0.050 0.000 1.185 479 F CB 0.754 39.830 39.000 0.127 0.000 1.115 479 F HN -0.060 nan 8.300 nan 0.000 0.526 480 Q N 1.508 121.334 119.800 0.042 0.000 2.892 480 Q HA 0.461 4.789 4.340 -0.020 0.000 0.307 480 Q C -1.323 174.638 176.000 -0.064 0.000 1.039 480 Q CA -1.490 54.297 55.803 -0.027 0.000 0.792 480 Q CB 2.553 31.221 28.738 -0.116 0.000 1.504 480 Q HN 0.585 nan 8.270 nan 0.000 0.487 481 N N -0.042 118.598 118.700 -0.101 0.000 2.225 481 N HA 0.310 5.038 4.740 -0.020 0.000 0.298 481 N C -1.810 173.601 175.510 -0.165 0.000 1.076 481 N CA -0.495 52.496 53.050 -0.099 0.000 0.792 481 N CB 1.295 39.748 38.487 -0.057 0.000 1.498 481 N HN 0.236 nan 8.380 nan 0.000 0.474 482 K N 2.329 122.638 120.400 -0.153 0.000 2.723 482 K HA 0.238 4.546 4.320 -0.020 0.000 0.229 482 K C -1.136 175.470 176.600 0.010 0.000 1.022 482 K CA -0.500 55.668 56.287 -0.199 0.000 1.045 482 K CB 1.047 33.206 32.500 -0.569 0.000 1.227 482 K HN 0.650 nan 8.250 nan 0.000 0.516 483 T N 2.073 116.648 114.554 0.036 0.000 2.902 483 T HA 0.063 4.401 4.350 -0.020 0.000 0.301 483 T C 0.792 175.615 174.700 0.204 0.000 1.012 483 T CA 0.342 62.513 62.100 0.119 0.000 1.151 483 T CB 0.305 69.240 68.868 0.111 0.000 0.946 483 T HN 0.351 nan 8.240 nan 0.000 0.542 484 N N 0.610 119.457 118.700 0.245 0.000 2.297 484 N HA 0.409 5.138 4.740 -0.020 0.000 0.232 484 N C 0.466 176.164 175.510 0.312 0.000 1.311 484 N CA -0.210 53.023 53.050 0.306 0.000 0.897 484 N CB 0.401 39.013 38.487 0.208 0.000 1.137 484 N HN 0.759 nan 8.380 nan 0.000 0.449 485 G N -0.635 108.364 108.800 0.331 0.000 2.645 485 G HA2 0.607 4.555 3.960 -0.020 0.000 0.292 485 G HA3 0.607 4.555 3.960 -0.020 0.000 0.292 485 G C -1.433 173.610 174.900 0.239 0.000 1.415 485 G CA -0.739 44.536 45.100 0.291 0.000 0.785 485 G HN 0.597 nan 8.290 nan 0.000 0.483 486 I N -2.394 118.298 120.570 0.203 0.000 2.934 486 I HA 0.763 4.921 4.170 -0.020 0.000 0.306 486 I C -0.229 176.046 176.117 0.264 0.000 1.110 486 I CA -0.988 60.427 61.300 0.191 0.000 1.019 486 I CB 2.439 40.444 38.000 0.009 0.000 1.227 486 I HN 0.506 nan 8.210 nan 0.000 0.434 487 T N 3.721 118.483 114.554 0.347 0.000 2.794 487 T HA 0.383 4.721 4.350 -0.020 0.000 0.296 487 T C -1.433 173.387 174.700 0.200 0.000 0.949 487 T CA -1.707 60.522 62.100 0.215 0.000 1.101 487 T CB 0.894 69.840 68.868 0.129 0.000 0.905 487 T HN 0.631 nan 8.240 nan 0.000 0.516 488 P HA 0.013 nan 4.420 nan 0.000 0.226 488 P C 1.218 178.495 177.300 -0.039 0.000 1.153 488 P CA 0.469 63.609 63.100 0.067 0.000 0.777 488 P CB 0.332 32.054 31.700 0.036 0.000 0.794 489 R N 0.333 120.757 120.500 -0.127 0.000 2.070 489 R HA -0.038 4.290 4.340 -0.020 0.000 0.232 489 R C 2.720 178.904 176.300 -0.193 0.000 1.138 489 R CA 1.677 57.657 56.100 -0.200 0.000 0.936 489 R CB -1.104 29.078 30.300 -0.197 0.000 0.839 489 R HN 0.085 nan 8.270 nan 0.000 0.429 490 R N -0.956 119.378 120.500 -0.277 0.000 2.073 490 R HA -0.084 4.244 4.340 -0.020 0.000 0.229 490 R C 1.076 177.035 176.300 -0.567 0.000 1.120 490 R CA 1.353 57.146 56.100 -0.512 0.000 0.967 490 R CB -0.166 29.661 30.300 -0.787 0.000 0.862 490 R HN 0.278 nan 8.270 nan 0.000 0.436 491 W N 0.247 121.504 121.300 -0.071 0.000 3.377 491 W HA 0.121 4.768 4.660 -0.021 0.000 0.277 491 W C 0.883 177.372 176.519 -0.049 0.000 1.311 491 W CA -0.612 56.691 57.345 -0.070 0.000 1.703 491 W CB 0.386 29.809 29.460 -0.061 0.000 1.095 491 W HN 0.250 nan 8.180 nan 0.000 0.715 492 L N -2.551 118.725 121.223 0.088 0.000 2.208 492 L HA 0.133 4.462 4.340 -0.020 0.000 0.133 492 L C 1.757 178.648 176.870 0.034 0.000 1.385 492 L CA 0.709 55.601 54.840 0.086 0.000 1.030 492 L CB -0.894 41.244 42.059 0.132 0.000 2.075 492 L HN -0.262 nan 8.230 nan 0.000 0.482 493 V N 1.022 120.939 119.914 0.004 0.000 2.282 493 V HA -0.286 3.823 4.120 -0.020 0.000 0.249 493 V C 2.469 178.538 176.094 -0.041 0.000 1.057 493 V CA 2.456 64.746 62.300 -0.016 0.000 1.032 493 V CB -0.768 31.011 31.823 -0.074 0.000 0.645 493 V HN 0.420 nan 8.190 nan 0.000 0.447 494 L N 0.408 121.575 121.223 -0.093 0.000 1.988 494 L HA -0.157 4.171 4.340 -0.020 0.000 0.207 494 L C 2.588 179.392 176.870 -0.110 0.000 1.071 494 L CA 2.499 57.265 54.840 -0.123 0.000 0.744 494 L CB -0.700 41.234 42.059 -0.209 0.000 0.893 494 L HN 0.669 nan 8.230 nan 0.000 0.433 495 C N -2.980 116.247 119.300 -0.121 0.000 2.495 495 C HA 0.094 4.542 4.460 -0.020 0.000 0.275 495 C C 1.333 176.306 174.990 -0.029 0.000 1.392 495 C CA -0.378 58.590 59.018 -0.084 0.000 1.766 495 C CB -1.573 26.118 27.740 -0.081 0.000 1.933 495 C HN 0.535 nan 8.230 nan 0.000 0.519 496 N N 1.507 120.203 118.700 -0.008 0.000 2.791 496 N HA 0.248 4.976 4.740 -0.020 0.000 0.265 496 N C -1.846 173.677 175.510 0.021 0.000 1.580 496 N CA -1.237 51.821 53.050 0.013 0.000 0.809 496 N CB 1.281 39.785 38.487 0.029 0.000 1.178 496 N HN 0.241 nan 8.380 nan 0.000 0.499 497 P HA -0.068 nan 4.420 nan 0.000 0.217 497 P C 1.477 178.794 177.300 0.030 0.000 1.150 497 P CA 1.027 64.139 63.100 0.021 0.000 0.832 497 P CB 0.271 31.976 31.700 0.009 0.000 0.787 498 G N 0.988 109.800 108.800 0.021 0.000 2.446 498 G HA2 -0.239 3.709 3.960 -0.020 0.000 0.217 498 G HA3 -0.239 3.709 3.960 -0.020 0.000 0.217 498 G C 1.645 176.557 174.900 0.020 0.000 1.168 498 G CA 0.376 45.487 45.100 0.018 0.000 0.771 498 G HN 0.229 nan 8.290 nan 0.000 0.551 499 L N 0.568 121.802 121.223 0.019 0.000 2.046 499 L HA -0.022 4.306 4.340 -0.020 0.000 0.208 499 L C 3.210 180.102 176.870 0.037 0.000 1.077 499 L CA 1.638 56.487 54.840 0.015 0.000 0.747 499 L CB -0.456 41.612 42.059 0.015 0.000 0.896 499 L HN 0.336 nan 8.230 nan 0.000 0.432 500 A N -0.536 122.328 122.820 0.072 0.000 1.972 500 A HA -0.267 4.041 4.320 -0.020 0.000 0.219 500 A C 2.147 179.813 177.584 0.137 0.000 1.169 500 A CA 1.723 53.850 52.037 0.150 0.000 0.635 500 A CB -0.448 18.653 19.000 0.169 0.000 0.810 500 A HN 0.600 nan 8.150 nan 0.000 0.446 501 E N 0.399 120.648 120.200 0.083 0.000 2.015 501 E HA -0.185 4.154 4.350 -0.020 0.000 0.191 501 E C 2.013 178.648 176.600 0.058 0.000 0.991 501 E CA 1.579 58.020 56.400 0.067 0.000 0.802 501 E CB -0.337 29.389 29.700 0.043 0.000 0.759 501 E HN 0.735 nan 8.360 nan 0.000 0.447 502 I N -1.052 119.549 120.570 0.051 0.000 2.454 502 I HA -0.182 3.977 4.170 -0.020 0.000 0.254 502 I C 2.131 178.300 176.117 0.087 0.000 1.156 502 I CA 1.136 62.479 61.300 0.073 0.000 1.433 502 I CB -0.335 37.709 38.000 0.073 0.000 1.082 502 I HN 0.128 nan 8.210 nan 0.000 0.432 503 I N 1.792 122.384 120.570 0.036 0.000 2.353 503 I HA -0.141 4.017 4.170 -0.020 0.000 0.248 503 I C 2.974 179.008 176.117 -0.139 0.000 1.119 503 I CA 1.157 62.401 61.300 -0.094 0.000 1.417 503 I CB -0.385 37.443 38.000 -0.286 0.000 1.078 503 I HN 0.303 nan 8.210 nan 0.000 0.421 504 A N 1.149 123.979 122.820 0.016 0.000 1.930 504 A HA -0.223 4.085 4.320 -0.020 0.000 0.217 504 A C 2.172 179.777 177.584 0.034 0.000 1.175 504 A CA 1.612 53.721 52.037 0.121 0.000 0.627 504 A CB -0.652 18.471 19.000 0.204 0.000 0.815 504 A HN 0.603 nan 8.150 nan 0.000 0.443 505 E N -0.184 120.022 120.200 0.011 0.000 2.401 505 E HA -0.183 4.155 4.350 -0.020 0.000 0.199 505 E C 1.606 178.175 176.600 -0.051 0.000 1.023 505 E CA 1.133 57.531 56.400 -0.003 0.000 0.859 505 E CB -0.055 29.654 29.700 0.015 0.000 0.780 505 E HN 0.607 nan 8.360 nan 0.000 0.523 506 R N 0.476 120.891 120.500 -0.142 0.000 2.225 506 R HA 0.217 4.545 4.340 -0.020 0.000 0.194 506 R C 2.197 178.381 176.300 -0.194 0.000 0.949 506 R CA 0.892 56.837 56.100 -0.259 0.000 1.088 506 R CB -0.084 29.779 30.300 -0.727 0.000 1.106 506 R HN 0.380 nan 8.270 nan 0.000 0.566 507 I N -2.544 117.926 120.570 -0.167 0.000 4.240 507 I HA 0.477 4.635 4.170 -0.020 0.000 0.331 507 I C 0.355 176.494 176.117 0.036 0.000 1.381 507 I CA -0.004 61.254 61.300 -0.071 0.000 1.136 507 I CB 1.165 39.094 38.000 -0.118 0.000 1.137 507 I HN 0.175 nan 8.210 nan 0.000 0.411 508 G N 1.875 110.713 108.800 0.064 0.000 2.685 508 G HA2 -0.201 3.747 3.960 -0.020 0.000 0.387 508 G HA3 -0.201 3.747 3.960 -0.020 0.000 0.387 508 G C -0.134 174.901 174.900 0.225 0.000 1.324 508 G CA 0.073 45.239 45.100 0.112 0.000 0.878 508 G HN 0.392 nan 8.290 nan 0.000 0.527 509 E N -0.350 119.928 120.200 0.131 0.000 2.481 509 E HA 0.109 4.447 4.350 -0.020 0.000 0.198 509 E C 1.854 178.395 176.600 -0.099 0.000 1.027 509 E CA 0.163 56.575 56.400 0.020 0.000 0.900 509 E CB 0.264 29.968 29.700 0.007 0.000 0.993 509 E HN 0.607 nan 8.360 nan 0.000 0.482 510 E N 0.026 120.244 120.200 0.030 0.000 2.338 510 E HA -0.180 4.159 4.350 -0.020 0.000 0.197 510 E C 1.462 178.060 176.600 -0.004 0.000 1.007 510 E CA 0.703 57.112 56.400 0.014 0.000 0.849 510 E CB 0.001 29.733 29.700 0.053 0.000 0.774 510 E HN 0.480 nan 8.360 nan 0.000 0.506 511 Y N -1.146 119.153 120.300 -0.000 0.000 2.293 511 Y HA -0.059 4.480 4.550 -0.018 0.000 0.291 511 Y C 1.806 177.682 175.900 -0.041 0.000 1.137 511 Y CA 0.519 58.611 58.100 -0.014 0.000 1.202 511 Y CB -0.561 37.891 38.460 -0.013 0.000 0.990 511 Y HN -0.079 nan 8.280 nan 0.000 0.537 512 I N 1.195 121.254 120.570 -0.852 0.000 2.315 512 I HA -0.285 3.874 4.170 -0.020 0.000 0.251 512 I C 1.667 177.529 176.117 -0.424 0.000 1.125 512 I CA 1.994 62.867 61.300 -0.711 0.000 1.392 512 I CB -0.458 37.032 38.000 -0.851 0.000 1.065 512 I HN 0.514 nan 8.210 nan 0.000 0.424 513 S N -2.039 113.521 115.700 -0.233 0.000 2.754 513 S HA 0.216 4.674 4.470 -0.020 0.000 0.247 513 S C 0.029 174.611 174.600 -0.029 0.000 1.031 513 S CA -0.532 57.607 58.200 -0.101 0.000 1.014 513 S CB 0.359 63.575 63.200 0.027 0.000 0.918 513 S HN 0.312 nan 8.310 nan 0.000 0.519 514 D N 0.553 120.942 120.400 -0.018 0.000 3.036 514 D HA 0.198 4.826 4.640 -0.020 0.000 0.244 514 D C 0.343 176.681 176.300 0.063 0.000 1.337 514 D CA -0.343 53.670 54.000 0.023 0.000 0.829 514 D CB 0.279 41.097 40.800 0.030 0.000 1.478 514 D HN 0.109 nan 8.370 nan 0.000 0.570 515 L N 1.198 122.460 121.223 0.064 0.000 2.261 515 L HA -0.041 4.287 4.340 -0.020 0.000 0.216 515 L C 1.500 178.418 176.870 0.080 0.000 1.114 515 L CA 1.608 56.512 54.840 0.107 0.000 0.777 515 L CB -0.115 42.000 42.059 0.094 0.000 0.910 515 L HN 0.294 nan 8.230 nan 0.000 0.440 516 D N -0.776 119.650 120.400 0.042 0.000 2.265 516 D HA -0.211 4.418 4.640 -0.020 0.000 0.208 516 D C 1.987 178.307 176.300 0.033 0.000 0.977 516 D CA 0.793 54.805 54.000 0.020 0.000 0.871 516 D CB 0.040 40.840 40.800 0.000 0.000 0.925 516 D HN 0.534 nan 8.370 nan 0.000 0.485 517 Q N -0.204 119.631 119.800 0.059 0.000 2.437 517 Q HA -0.032 4.296 4.340 -0.020 0.000 0.210 517 Q C 2.176 178.195 176.000 0.032 0.000 0.972 517 Q CA 0.164 56.003 55.803 0.059 0.000 0.903 517 Q CB 0.094 28.893 28.738 0.102 0.000 0.967 517 Q HN 0.392 nan 8.270 nan 0.000 0.486 518 L N 0.034 121.272 121.223 0.026 0.000 2.353 518 L HA -0.183 4.145 4.340 -0.020 0.000 0.220 518 L C 2.409 179.274 176.870 -0.008 0.000 1.133 518 L CA 0.697 55.519 54.840 -0.031 0.000 0.798 518 L CB -0.257 41.799 42.059 -0.006 0.000 0.922 518 L HN 0.181 nan 8.230 nan 0.000 0.445 519 R N 0.867 121.375 120.500 0.013 0.000 2.103 519 R HA -0.205 4.123 4.340 -0.020 0.000 0.242 519 R C 2.157 178.471 176.300 0.024 0.000 1.142 519 R CA 1.504 57.616 56.100 0.020 0.000 0.960 519 R CB -0.057 30.252 30.300 0.015 0.000 0.858 519 R HN 0.222 nan 8.270 nan 0.000 0.439 520 K N 0.121 120.533 120.400 0.020 0.000 2.286 520 K HA -0.164 4.144 4.320 -0.020 0.000 0.203 520 K C 1.746 178.398 176.600 0.086 0.000 1.045 520 K CA 1.181 57.494 56.287 0.043 0.000 0.935 520 K CB -0.176 32.346 32.500 0.036 0.000 0.737 520 K HN 0.289 nan 8.250 nan 0.000 0.460 521 L N 0.796 122.032 121.223 0.022 0.000 2.456 521 L HA -0.120 4.208 4.340 -0.020 0.000 0.224 521 L C 1.889 178.847 176.870 0.147 0.000 1.148 521 L CA 0.506 55.355 54.840 0.015 0.000 0.825 521 L CB -0.323 41.711 42.059 -0.043 0.000 0.937 521 L HN 0.228 nan 8.230 nan 0.000 0.450 522 L N -0.943 120.341 121.223 0.102 0.000 2.450 522 L HA -0.149 4.179 4.340 -0.020 0.000 0.224 522 L C 2.202 179.103 176.870 0.052 0.000 1.149 522 L CA 0.609 55.497 54.840 0.079 0.000 0.816 522 L CB -0.274 41.810 42.059 0.043 0.000 0.932 522 L HN 0.202 nan 8.230 nan 0.000 0.449 523 S N -1.473 114.249 115.700 0.037 0.000 2.562 523 S HA -0.005 4.453 4.470 -0.020 0.000 0.221 523 S C 0.764 175.147 174.600 -0.362 0.000 0.975 523 S CA 0.316 58.413 58.200 -0.172 0.000 0.918 523 S CB -0.024 63.003 63.200 -0.287 0.000 0.772 523 S HN 0.396 nan 8.310 nan 0.000 0.531 524 Y N -0.274 119.964 120.300 -0.102 0.000 2.584 524 Y HA 0.330 4.877 4.550 -0.004 0.000 0.254 524 Y C 1.592 177.559 175.900 0.111 0.000 1.177 524 Y CA -0.686 57.361 58.100 -0.087 0.000 1.216 524 Y CB -0.367 37.818 38.460 -0.459 0.000 1.172 524 Y HN 0.002 nan 8.280 nan 0.000 0.529 525 V N -0.100 119.926 119.914 0.188 0.000 2.594 525 V HA -0.238 3.870 4.120 -0.020 0.000 0.253 525 V C 1.276 177.447 176.094 0.128 0.000 1.069 525 V CA 2.074 64.476 62.300 0.170 0.000 1.082 525 V CB -0.116 31.763 31.823 0.094 0.000 0.680 525 V HN 0.407 nan 8.190 nan 0.000 0.469 526 D N -0.977 119.473 120.400 0.082 0.000 2.379 526 D HA 0.056 4.684 4.640 -0.020 0.000 0.208 526 D C 0.613 176.953 176.300 0.068 0.000 1.065 526 D CA 0.085 54.118 54.000 0.055 0.000 0.848 526 D CB 0.156 40.964 40.800 0.014 0.000 0.949 526 D HN 0.412 nan 8.370 nan 0.000 0.509 527 D N 1.389 121.854 120.400 0.109 0.000 2.358 527 D HA -0.039 4.589 4.640 -0.020 0.000 0.258 527 D C 1.144 177.540 176.300 0.159 0.000 1.223 527 D CA 0.082 54.159 54.000 0.128 0.000 0.886 527 D CB 1.382 42.296 40.800 0.190 0.000 1.120 527 D HN -0.253 nan 8.370 nan 0.000 0.482 528 E N 3.004 123.265 120.200 0.101 0.000 2.204 528 E HA -0.111 4.228 4.350 -0.020 0.000 0.195 528 E C 1.713 178.370 176.600 0.094 0.000 0.990 528 E CA 1.286 57.734 56.400 0.081 0.000 0.821 528 E CB -0.052 29.678 29.700 0.050 0.000 0.750 528 E HN 0.593 nan 8.360 nan 0.000 0.477 529 A N -0.242 122.654 122.820 0.126 0.000 1.855 529 A HA -0.134 4.174 4.320 -0.020 0.000 0.215 529 A C 2.174 179.865 177.584 0.178 0.000 1.191 529 A CA 1.203 53.318 52.037 0.130 0.000 0.613 529 A CB -0.958 18.124 19.000 0.137 0.000 0.829 529 A HN 0.430 nan 8.150 nan 0.000 0.442 530 F N 0.393 120.381 119.950 0.064 0.000 2.069 530 F HA -0.203 4.313 4.527 -0.018 0.000 0.298 530 F C 2.127 177.948 175.800 0.034 0.000 1.113 530 F CA 1.733 59.762 58.000 0.048 0.000 1.214 530 F CB -0.141 38.920 39.000 0.100 0.000 0.978 530 F HN 0.165 nan 8.300 nan 0.000 0.474 531 I N 0.055 120.656 120.570 0.052 0.000 2.194 531 I HA -0.375 3.783 4.170 -0.020 0.000 0.246 531 I C 2.591 178.659 176.117 -0.083 0.000 1.093 531 I CA 1.453 62.723 61.300 -0.051 0.000 1.355 531 I CB -0.473 37.545 38.000 0.030 0.000 1.046 531 I HN 0.119 nan 8.210 nan 0.000 0.413 532 R N 0.334 120.814 120.500 -0.034 0.000 2.075 532 R HA -0.169 4.159 4.340 -0.020 0.000 0.232 532 R C 1.938 178.197 176.300 -0.068 0.000 1.126 532 R CA 1.668 57.746 56.100 -0.036 0.000 0.963 532 R CB -0.203 30.094 30.300 -0.005 0.000 0.858 532 R HN 0.326 nan 8.270 nan 0.000 0.435 533 D N -0.224 120.125 120.400 -0.085 0.000 2.084 533 D HA -0.131 4.498 4.640 -0.020 0.000 0.194 533 D C 1.933 178.129 176.300 -0.174 0.000 0.990 533 D CA 1.054 54.992 54.000 -0.103 0.000 0.826 533 D CB -0.254 40.509 40.800 -0.061 0.000 0.971 533 D HN -0.042 nan 8.370 nan 0.000 0.453 534 V N 1.340 121.055 119.914 -0.332 0.000 2.282 534 V HA -0.293 3.815 4.120 -0.020 0.000 0.249 534 V C 2.489 178.495 176.094 -0.145 0.000 1.057 534 V CA 2.045 64.159 62.300 -0.309 0.000 1.032 534 V CB -0.902 30.654 31.823 -0.446 0.000 0.645 534 V HN 0.221 nan 8.190 nan 0.000 0.447 535 A N -0.790 121.962 122.820 -0.114 0.000 1.972 535 A HA -0.263 4.045 4.320 -0.020 0.000 0.219 535 A C 2.366 179.914 177.584 -0.060 0.000 1.169 535 A CA 2.140 54.141 52.037 -0.061 0.000 0.635 535 A CB -0.466 18.500 19.000 -0.056 0.000 0.810 535 A HN 0.534 nan 8.150 nan 0.000 0.446 536 K N -0.369 119.992 120.400 -0.064 0.000 2.062 536 K HA -0.041 4.267 4.320 -0.020 0.000 0.205 536 K C 1.844 178.422 176.600 -0.037 0.000 1.051 536 K CA 1.317 57.576 56.287 -0.046 0.000 0.941 536 K CB -0.209 32.268 32.500 -0.038 0.000 0.719 536 K HN 0.238 nan 8.250 nan 0.000 0.440 537 V N 1.617 121.504 119.914 -0.044 0.000 2.343 537 V HA -0.253 3.855 4.120 -0.020 0.000 0.247 537 V C 2.330 178.413 176.094 -0.018 0.000 1.051 537 V CA 1.933 64.216 62.300 -0.028 0.000 1.036 537 V CB -0.369 31.432 31.823 -0.037 0.000 0.654 537 V HN 0.342 nan 8.190 nan 0.000 0.451 538 K N -0.223 120.162 120.400 -0.025 0.000 2.057 538 K HA -0.225 4.083 4.320 -0.020 0.000 0.207 538 K C 2.216 178.792 176.600 -0.041 0.000 1.049 538 K CA 1.451 57.728 56.287 -0.016 0.000 0.931 538 K CB -0.254 32.247 32.500 0.002 0.000 0.714 538 K HN 0.331 nan 8.250 nan 0.000 0.440 539 Q N 1.020 120.789 119.800 -0.052 0.000 2.124 539 Q HA -0.129 4.199 4.340 -0.020 0.000 0.202 539 Q C 1.506 177.487 176.000 -0.031 0.000 0.977 539 Q CA 1.824 57.586 55.803 -0.067 0.000 0.850 539 Q CB -0.002 28.698 28.738 -0.062 0.000 0.901 539 Q HN 0.428 nan 8.270 nan 0.000 0.429 540 E N -0.541 119.654 120.200 -0.009 0.000 2.072 540 E HA -0.114 4.224 4.350 -0.020 0.000 0.191 540 E C 1.756 178.383 176.600 0.045 0.000 0.985 540 E CA 1.024 57.434 56.400 0.017 0.000 0.801 540 E CB -0.086 29.622 29.700 0.014 0.000 0.750 540 E HN 0.514 nan 8.360 nan 0.000 0.452 541 N N 0.287 119.011 118.700 0.040 0.000 2.166 541 N HA -0.161 4.567 4.740 -0.020 0.000 0.186 541 N C 1.597 177.191 175.510 0.139 0.000 1.019 541 N CA 0.870 53.965 53.050 0.075 0.000 0.856 541 N CB 0.066 38.582 38.487 0.047 0.000 0.993 541 N HN 0.034 nan 8.380 nan 0.000 0.426 542 K N 0.349 120.798 120.400 0.081 0.000 2.062 542 K HA -0.036 4.272 4.320 -0.020 0.000 0.205 542 K C 1.767 178.498 176.600 0.218 0.000 1.051 542 K CA 0.550 56.912 56.287 0.125 0.000 0.941 542 K CB -0.041 32.282 32.500 -0.297 0.000 0.719 542 K HN 0.005 nan 8.250 nan 0.000 0.440 543 L N 2.030 123.319 121.223 0.111 0.000 2.017 543 L HA -0.179 4.150 4.340 -0.020 0.000 0.208 543 L C 2.251 179.216 176.870 0.157 0.000 1.073 543 L CA 1.760 56.669 54.840 0.114 0.000 0.745 543 L CB -0.399 41.699 42.059 0.065 0.000 0.894 543 L HN 0.076 nan 8.230 nan 0.000 0.432 544 K N -1.553 118.945 120.400 0.162 0.000 2.026 544 K HA -0.244 4.065 4.320 -0.020 0.000 0.208 544 K C 2.269 179.011 176.600 0.237 0.000 1.048 544 K CA 1.710 58.100 56.287 0.171 0.000 0.929 544 K CB -0.344 32.243 32.500 0.146 0.000 0.713 544 K HN 0.181 nan 8.250 nan 0.000 0.439 545 F N 1.228 121.272 119.950 0.158 0.000 2.171 545 F HA -0.141 4.374 4.527 -0.019 0.000 0.300 545 F C 1.999 177.932 175.800 0.223 0.000 1.090 545 F CA 1.324 59.436 58.000 0.186 0.000 1.293 545 F CB -0.303 38.811 39.000 0.190 0.000 1.013 545 F HN 0.069 nan 8.300 nan 0.000 0.486 546 A N -0.068 122.897 122.820 0.241 0.000 1.969 546 A HA 0.009 4.317 4.320 -0.020 0.000 0.218 546 A C 2.378 179.992 177.584 0.050 0.000 1.169 546 A CA 1.499 53.610 52.037 0.124 0.000 0.635 546 A CB -1.355 17.763 19.000 0.196 0.000 0.810 546 A HN 0.431 nan 8.150 nan 0.000 0.445 547 A N -1.383 121.490 122.820 0.089 0.000 1.897 547 A HA -0.062 4.247 4.320 -0.020 0.000 0.215 547 A C 2.117 179.728 177.584 0.046 0.000 1.181 547 A CA 1.469 53.552 52.037 0.078 0.000 0.620 547 A CB -0.837 18.221 19.000 0.096 0.000 0.821 547 A HN 0.742 nan 8.150 nan 0.000 0.443 548 Y N 0.511 120.760 120.300 -0.085 0.000 2.207 548 Y HA -0.170 4.368 4.550 -0.019 0.000 0.287 548 Y C 1.879 177.704 175.900 -0.125 0.000 1.156 548 Y CA 1.767 59.801 58.100 -0.109 0.000 1.182 548 Y CB -0.196 38.166 38.460 -0.164 0.000 0.979 548 Y HN 0.215 nan 8.280 nan 0.000 0.521 549 L N 0.391 121.483 121.223 -0.218 0.000 2.056 549 L HA -0.199 4.129 4.340 -0.020 0.000 0.207 549 L C 2.615 179.429 176.870 -0.092 0.000 1.078 549 L CA 2.001 56.711 54.840 -0.217 0.000 0.749 549 L CB -0.648 41.272 42.059 -0.231 0.000 0.901 549 L HN 0.437 nan 8.230 nan 0.000 0.433 550 E N 0.007 120.179 120.200 -0.046 0.000 2.072 550 E HA -0.239 4.099 4.350 -0.020 0.000 0.191 550 E C 2.279 178.849 176.600 -0.049 0.000 0.985 550 E CA 0.774 57.174 56.400 0.000 0.000 0.801 550 E CB -0.196 29.541 29.700 0.061 0.000 0.750 550 E HN 0.315 nan 8.360 nan 0.000 0.452 551 R N 0.479 120.924 120.500 -0.091 0.000 2.070 551 R HA -0.076 4.253 4.340 -0.020 0.000 0.233 551 R C 2.050 178.235 176.300 -0.192 0.000 1.137 551 R CA 1.889 57.918 56.100 -0.118 0.000 0.945 551 R CB 0.016 30.252 30.300 -0.105 0.000 0.845 551 R HN 0.317 nan 8.270 nan 0.000 0.430 552 E N -1.325 118.687 120.200 -0.313 0.000 2.452 552 E HA -0.034 4.305 4.350 -0.020 0.000 0.197 552 E C -0.060 176.126 176.600 -0.691 0.000 1.022 552 E CA 0.525 56.639 56.400 -0.477 0.000 0.890 552 E CB 0.678 30.024 29.700 -0.590 0.000 0.918 552 E HN 0.452 nan 8.360 nan 0.000 0.496 553 Y N 1.026 121.202 120.300 -0.207 0.000 2.810 553 Y HA 0.110 4.649 4.550 -0.020 0.000 0.255 553 Y C -0.203 175.651 175.900 -0.077 0.000 0.979 553 Y CA -0.941 57.089 58.100 -0.116 0.000 1.106 553 Y CB 0.338 38.733 38.460 -0.108 0.000 1.209 553 Y HN -0.188 nan 8.280 nan 0.000 0.646 554 K N 1.759 122.169 120.400 0.017 0.000 3.097 554 K HA -0.090 4.218 4.320 -0.020 0.000 0.267 554 K C -1.320 175.313 176.600 0.056 0.000 1.030 554 K CA 0.786 57.087 56.287 0.022 0.000 1.087 554 K CB -0.459 32.041 32.500 -0.000 0.000 1.217 554 K HN 0.269 nan 8.250 nan 0.000 0.483 555 V N 3.613 123.567 119.914 0.067 0.000 2.971 555 V HA 0.043 4.151 4.120 -0.020 0.000 0.281 555 V C -1.600 174.572 176.094 0.129 0.000 1.470 555 V CA -0.959 61.391 62.300 0.082 0.000 0.966 555 V CB 1.750 33.606 31.823 0.056 0.000 1.156 555 V HN 0.803 nan 8.190 nan 0.000 0.441 556 H N 5.092 124.163 119.070 0.002 0.000 2.741 556 H HA 0.629 5.174 4.556 -0.019 0.000 0.282 556 H C -0.046 175.288 175.328 0.009 0.000 1.122 556 H CA -0.141 55.912 56.048 0.009 0.000 1.293 556 H CB 0.613 30.384 29.762 0.015 0.000 1.415 556 H HN 0.633 nan 8.280 nan 0.000 0.472 557 I N 1.020 121.477 120.570 -0.189 0.000 2.498 557 I HA 0.398 4.556 4.170 -0.020 0.000 0.301 557 I C 0.177 176.171 176.117 -0.204 0.000 0.984 557 I CA -1.210 60.004 61.300 -0.143 0.000 1.204 557 I CB 1.513 39.466 38.000 -0.078 0.000 1.362 557 I HN 0.358 nan 8.210 nan 0.000 0.471 558 N N 7.186 125.835 118.700 -0.084 0.000 2.401 558 N HA 0.266 4.995 4.740 -0.020 0.000 0.255 558 N C -1.660 173.902 175.510 0.087 0.000 1.110 558 N CA -2.479 50.544 53.050 -0.045 0.000 0.949 558 N CB 0.746 39.225 38.487 -0.013 0.000 1.110 558 N HN 0.446 nan 8.380 nan 0.000 0.490 559 P HA -0.052 nan 4.420 nan 0.000 0.234 559 P C -0.255 177.000 177.300 -0.075 0.000 1.167 559 P CA 1.012 64.150 63.100 0.064 0.000 0.763 559 P CB 0.187 31.915 31.700 0.047 0.000 0.835 560 N N -0.624 118.061 118.700 -0.026 0.000 2.299 560 N HA -0.004 4.724 4.740 -0.020 0.000 0.187 560 N C 0.704 176.212 175.510 -0.003 0.000 1.099 560 N CA -0.161 52.869 53.050 -0.033 0.000 0.867 560 N CB 0.098 38.582 38.487 -0.004 0.000 0.974 560 N HN 0.164 nan 8.380 nan 0.000 0.477 561 S N 0.454 116.160 115.700 0.010 0.000 2.634 561 S HA 0.245 4.703 4.470 -0.020 0.000 0.261 561 S C -0.090 174.447 174.600 -0.105 0.000 1.271 561 S CA -0.904 57.298 58.200 0.003 0.000 0.985 561 S CB 0.911 64.144 63.200 0.055 0.000 0.968 561 S HN 0.074 nan 8.310 nan 0.000 0.568 562 L N 1.328 122.367 121.223 -0.306 0.000 2.319 562 L HA 0.466 4.795 4.340 -0.020 0.000 0.280 562 L C -1.121 175.695 176.870 -0.089 0.000 1.099 562 L CA -0.662 53.789 54.840 -0.647 0.000 0.828 562 L CB -0.595 40.808 42.059 -1.092 0.000 1.150 562 L HN 0.610 nan 8.230 nan 0.000 0.442 563 F N 4.038 123.821 119.950 -0.279 0.000 2.423 563 F HA 0.231 4.747 4.527 -0.019 0.000 0.356 563 F C 0.482 176.184 175.800 -0.164 0.000 1.170 563 F CA -0.865 57.039 58.000 -0.159 0.000 1.163 563 F CB -0.193 38.755 39.000 -0.086 0.000 1.318 563 F HN 0.509 nan 8.300 nan 0.000 0.569 564 D N 3.666 124.045 120.400 -0.036 0.000 2.365 564 D HA 0.313 4.941 4.640 -0.020 0.000 0.237 564 D C -0.827 175.396 176.300 -0.129 0.000 1.190 564 D CA 0.087 54.025 54.000 -0.103 0.000 0.867 564 D CB 0.945 41.677 40.800 -0.114 0.000 1.050 564 D HN 0.120 nan 8.370 nan 0.000 0.491 565 V N 4.499 124.317 119.914 -0.159 0.000 2.495 565 V HA 0.375 4.484 4.120 -0.020 0.000 0.298 565 V C -0.136 175.798 176.094 -0.266 0.000 1.031 565 V CA -0.811 61.379 62.300 -0.183 0.000 0.871 565 V CB 1.744 33.525 31.823 -0.070 0.000 0.988 565 V HN 0.506 nan 8.190 nan 0.000 0.432 566 Q N 3.859 123.524 119.800 -0.224 0.000 2.490 566 Q HA 0.626 4.954 4.340 -0.020 0.000 0.255 566 Q C -1.476 174.363 176.000 -0.269 0.000 0.997 566 Q CA -0.451 55.211 55.803 -0.235 0.000 0.709 566 Q CB 1.897 30.526 28.738 -0.182 0.000 1.255 566 Q HN 0.788 nan 8.270 nan 0.000 0.486 567 V N 1.461 121.199 119.914 -0.293 0.000 2.444 567 V HA 0.876 4.984 4.120 -0.020 0.000 0.294 567 V C -0.938 174.866 176.094 -0.484 0.000 1.022 567 V CA -0.503 61.436 62.300 -0.601 0.000 0.850 567 V CB 1.139 32.370 31.823 -0.987 0.000 0.992 567 V HN 0.822 nan 8.190 nan 0.000 0.426 568 K N 2.551 122.717 120.400 -0.390 0.000 2.931 568 K HA 0.465 4.774 4.320 -0.020 0.000 0.292 568 K C -1.209 175.390 176.600 -0.001 0.000 1.077 568 K CA -1.237 55.005 56.287 -0.076 0.000 0.829 568 K CB 0.836 33.295 32.500 -0.069 0.000 1.488 568 K HN 0.417 nan 8.250 nan 0.000 0.358 569 R N 0.918 121.476 120.500 0.097 0.000 2.640 569 R HA 0.149 4.477 4.340 -0.020 0.000 0.270 569 R C 0.322 176.641 176.300 0.031 0.000 1.024 569 R CA -0.306 55.859 56.100 0.108 0.000 1.085 569 R CB -0.203 30.206 30.300 0.182 0.000 0.963 569 R HN 0.471 nan 8.270 nan 0.000 0.426 570 I N 4.205 124.772 120.570 -0.006 0.000 2.533 570 I HA 0.089 4.247 4.170 -0.020 0.000 0.284 570 I C 0.724 176.743 176.117 -0.164 0.000 1.109 570 I CA 0.628 61.874 61.300 -0.089 0.000 1.412 570 I CB -0.199 37.737 38.000 -0.106 0.000 1.396 570 I HN 0.297 nan 8.210 nan 0.000 0.543 571 H N 4.203 123.168 119.070 -0.176 0.000 3.046 571 H HA 0.208 4.753 4.556 -0.020 0.000 0.363 571 H C 0.457 175.654 175.328 -0.219 0.000 1.203 571 H CA -0.446 55.535 56.048 -0.112 0.000 1.169 571 H CB 1.932 31.570 29.762 -0.208 0.000 1.851 571 H HN 0.552 nan 8.280 nan 0.000 0.546 572 E N 1.546 121.822 120.200 0.126 0.000 2.077 572 E HA -0.206 4.132 4.350 -0.020 0.000 0.193 572 E C 1.393 177.698 176.600 -0.492 0.000 0.989 572 E CA 1.581 57.950 56.400 -0.052 0.000 0.800 572 E CB 0.005 29.861 29.700 0.260 0.000 0.746 572 E HN 0.570 nan 8.360 nan 0.000 0.452 573 Y N 0.598 120.314 120.300 -0.974 0.000 2.421 573 Y HA -0.034 4.505 4.550 -0.020 0.000 0.292 573 Y C 1.523 177.144 175.900 -0.465 0.000 1.136 573 Y CA 0.783 58.168 58.100 -1.191 0.000 1.255 573 Y CB -0.024 37.805 38.460 -1.051 0.000 0.991 573 Y HN -0.195 nan 8.280 nan 0.000 0.552 574 K N 0.786 120.679 120.400 -0.845 0.000 2.365 574 K HA 0.067 4.375 4.320 -0.020 0.000 0.197 574 K C 0.124 176.537 176.600 -0.311 0.000 1.042 574 K CA 0.441 56.364 56.287 -0.606 0.000 0.987 574 K CB -0.011 32.147 32.500 -0.571 0.000 0.779 574 K HN 0.285 nan 8.250 nan 0.000 0.484 575 R N 0.620 120.965 120.500 -0.259 0.000 3.267 575 R HA -0.222 4.107 4.340 -0.020 0.000 0.254 575 R C 0.297 176.513 176.300 -0.140 0.000 0.993 575 R CA 0.192 56.197 56.100 -0.158 0.000 0.670 575 R CB -1.791 28.432 30.300 -0.127 0.000 1.125 575 R HN 0.301 nan 8.270 nan 0.000 0.434 576 Q N 0.296 120.014 119.800 -0.136 0.000 2.224 576 Q HA 0.002 4.330 4.340 -0.020 0.000 0.203 576 Q C 2.050 178.001 176.000 -0.081 0.000 0.970 576 Q CA 1.215 56.953 55.803 -0.109 0.000 0.865 576 Q CB 0.088 28.764 28.738 -0.103 0.000 0.922 576 Q HN 0.571 nan 8.270 nan 0.000 0.445 577 L N -0.462 120.715 121.223 -0.076 0.000 2.131 577 L HA -0.167 4.161 4.340 -0.020 0.000 0.210 577 L C 1.960 178.832 176.870 0.003 0.000 1.092 577 L CA 0.473 55.283 54.840 -0.050 0.000 0.759 577 L CB -0.299 41.738 42.059 -0.036 0.000 0.903 577 L HN 0.318 nan 8.230 nan 0.000 0.435 578 L N -0.121 121.093 121.223 -0.013 0.000 2.093 578 L HA -0.213 4.115 4.340 -0.020 0.000 0.208 578 L C 1.938 178.857 176.870 0.082 0.000 1.085 578 L CA 1.830 56.676 54.840 0.010 0.000 0.755 578 L CB -0.841 41.121 42.059 -0.161 0.000 0.904 578 L HN 0.270 nan 8.230 nan 0.000 0.435 579 N N -1.798 116.921 118.700 0.031 0.000 2.142 579 N HA -0.210 4.518 4.740 -0.020 0.000 0.186 579 N C 1.915 177.514 175.510 0.149 0.000 1.023 579 N CA 1.447 54.593 53.050 0.160 0.000 0.852 579 N CB -0.111 38.402 38.487 0.044 0.000 0.998 579 N HN 0.475 nan 8.380 nan 0.000 0.424 580 C N 0.535 119.859 119.300 0.039 0.000 2.425 580 C HA -0.040 4.408 4.460 -0.020 0.000 0.277 580 C C 2.539 177.535 174.990 0.009 0.000 1.280 580 C CA 0.318 59.315 59.018 -0.037 0.000 1.744 580 C CB -1.206 26.458 27.740 -0.128 0.000 1.989 580 C HN 0.514 nan 8.230 nan 0.000 0.491 581 L N -0.379 120.912 121.223 0.114 0.000 2.083 581 L HA -0.189 4.139 4.340 -0.020 0.000 0.209 581 L C 2.734 179.777 176.870 0.289 0.000 1.083 581 L CA 1.733 56.692 54.840 0.198 0.000 0.752 581 L CB -1.052 41.194 42.059 0.311 0.000 0.899 581 L HN 0.595 nan 8.230 nan 0.000 0.433 582 H N 0.144 119.342 119.070 0.212 0.000 2.293 582 H HA -0.164 4.380 4.556 -0.020 0.000 0.300 582 H C 2.316 177.651 175.328 0.011 0.000 1.082 582 H CA 2.228 58.321 56.048 0.075 0.000 1.308 582 H CB 0.221 29.961 29.762 -0.036 0.000 1.375 582 H HN 0.246 nan 8.280 nan 0.000 0.495 583 V N 0.330 120.158 119.914 -0.144 0.000 2.490 583 V HA -0.181 3.927 4.120 -0.020 0.000 0.250 583 V C 2.338 178.377 176.094 -0.093 0.000 1.061 583 V CA 1.787 63.961 62.300 -0.210 0.000 1.064 583 V CB -0.820 30.932 31.823 -0.120 0.000 0.670 583 V HN 0.392 nan 8.190 nan 0.000 0.461 584 I N 0.654 121.212 120.570 -0.021 0.000 2.439 584 I HA -0.154 4.004 4.170 -0.020 0.000 0.251 584 I C 2.662 178.855 176.117 0.128 0.000 1.139 584 I CA 1.799 63.161 61.300 0.104 0.000 1.438 584 I CB -0.668 37.373 38.000 0.069 0.000 1.085 584 I HN 0.322 nan 8.210 nan 0.000 0.427 585 T N 1.192 115.777 114.554 0.052 0.000 2.708 585 T HA -0.130 4.208 4.350 -0.020 0.000 0.266 585 T C 1.879 176.552 174.700 -0.045 0.000 1.037 585 T CA 1.122 63.245 62.100 0.039 0.000 1.146 585 T CB -0.191 68.727 68.868 0.083 0.000 0.865 585 T HN 0.068 nan 8.240 nan 0.000 0.435 586 L N 0.306 121.435 121.223 -0.157 0.000 2.042 586 L HA -0.049 4.279 4.340 -0.020 0.000 0.210 586 L C 2.100 178.946 176.870 -0.040 0.000 1.076 586 L CA 1.605 56.343 54.840 -0.171 0.000 0.749 586 L CB -1.087 40.791 42.059 -0.302 0.000 0.893 586 L HN 0.347 nan 8.230 nan 0.000 0.432 587 Y N 0.313 120.561 120.300 -0.087 0.000 2.163 587 Y HA -0.226 4.312 4.550 -0.020 0.000 0.288 587 Y C 2.353 178.244 175.900 -0.016 0.000 1.136 587 Y CA 2.022 60.109 58.100 -0.023 0.000 1.147 587 Y CB -0.516 37.979 38.460 0.058 0.000 0.987 587 Y HN 0.337 nan 8.280 nan 0.000 0.509 588 N N -0.466 118.183 118.700 -0.084 0.000 2.166 588 N HA -0.194 4.534 4.740 -0.020 0.000 0.186 588 N C 1.869 177.266 175.510 -0.189 0.000 1.019 588 N CA 0.978 53.910 53.050 -0.195 0.000 0.856 588 N CB -0.143 38.301 38.487 -0.072 0.000 0.993 588 N HN 0.222 nan 8.380 nan 0.000 0.426 589 R N 0.925 121.348 120.500 -0.128 0.000 2.073 589 R HA 0.014 4.343 4.340 -0.020 0.000 0.234 589 R C 2.087 178.308 176.300 -0.132 0.000 1.134 589 R CA 1.026 57.058 56.100 -0.112 0.000 0.952 589 R CB -0.289 29.955 30.300 -0.093 0.000 0.850 589 R HN 0.221 nan 8.270 nan 0.000 0.433 590 I N 0.677 121.157 120.570 -0.150 0.000 2.163 590 I HA -0.318 3.840 4.170 -0.020 0.000 0.243 590 I C 1.969 177.985 176.117 -0.169 0.000 1.085 590 I CA 1.230 62.444 61.300 -0.142 0.000 1.347 590 I CB -0.217 37.711 38.000 -0.121 0.000 1.044 590 I HN 0.075 nan 8.210 nan 0.000 0.408 591 K N 0.795 121.030 120.400 -0.275 0.000 2.147 591 K HA -0.194 4.114 4.320 -0.020 0.000 0.205 591 K C 2.014 178.513 176.600 -0.168 0.000 1.049 591 K CA 1.252 57.379 56.287 -0.267 0.000 0.936 591 K CB -0.326 31.915 32.500 -0.433 0.000 0.722 591 K HN 0.325 nan 8.250 nan 0.000 0.446 592 K N 0.914 121.222 120.400 -0.153 0.000 2.031 592 K HA -0.083 4.226 4.320 -0.020 0.000 0.205 592 K C 0.058 176.611 176.600 -0.078 0.000 1.049 592 K CA 1.086 57.309 56.287 -0.106 0.000 0.939 592 K CB 0.289 32.730 32.500 -0.097 0.000 0.717 592 K HN 0.104 nan 8.250 nan 0.000 0.438 593 E N 0.355 120.511 120.200 -0.075 0.000 3.037 593 E HA 0.101 4.439 4.350 -0.020 0.000 0.220 593 E C -2.177 174.392 176.600 -0.051 0.000 1.142 593 E CA -1.538 54.831 56.400 -0.051 0.000 0.888 593 E CB 1.575 31.250 29.700 -0.040 0.000 1.329 593 E HN 0.160 nan 8.360 nan 0.000 0.409 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.470 177.758 177.300 -0.020 0.000 1.150 594 P CA 1.092 64.166 63.100 -0.043 0.000 0.837 594 P CB 0.327 32.005 31.700 -0.037 0.000 0.786 595 N N -0.103 118.592 118.700 -0.008 0.000 2.313 595 N HA 0.021 4.750 4.740 -0.020 0.000 0.207 595 N C 0.567 176.094 175.510 0.029 0.000 1.141 595 N CA 0.190 53.247 53.050 0.012 0.000 0.830 595 N CB 0.243 38.736 38.487 0.011 0.000 1.008 595 N HN 0.330 nan 8.380 nan 0.000 0.481 596 K N 0.514 120.925 120.400 0.019 0.000 2.130 596 K HA 0.175 4.483 4.320 -0.020 0.000 0.268 596 K C -0.731 175.911 176.600 0.070 0.000 0.983 596 K CA -0.577 55.737 56.287 0.044 0.000 0.893 596 K CB 0.898 33.405 32.500 0.012 0.000 1.066 596 K HN -0.175 nan 8.250 nan 0.000 0.450 597 F N 5.209 125.147 119.950 -0.020 0.000 2.412 597 F HA 0.358 4.873 4.527 -0.020 0.000 0.348 597 F C -0.653 175.134 175.800 -0.022 0.000 1.102 597 F CA -0.177 57.812 58.000 -0.019 0.000 1.196 597 F CB 0.753 39.744 39.000 -0.015 0.000 1.144 597 F HN 0.247 nan 8.300 nan 0.000 0.541 598 V N 3.950 123.238 119.914 -1.043 0.000 2.925 598 V HA 0.548 4.656 4.120 -0.020 0.000 0.311 598 V C -0.883 174.573 176.094 -1.064 0.000 1.104 598 V CA -1.201 60.633 62.300 -0.777 0.000 0.954 598 V CB 1.068 32.664 31.823 -0.380 0.000 1.022 598 V HN 0.577 nan 8.190 nan 0.000 0.427 599 V N 4.444 124.022 119.914 -0.560 0.000 2.450 599 V HA 0.212 4.321 4.120 -0.020 0.000 0.281 599 V C -1.822 174.107 176.094 -0.275 0.000 1.019 599 V CA -0.581 61.533 62.300 -0.309 0.000 1.062 599 V CB 0.327 32.088 31.823 -0.104 0.000 0.979 599 V HN 0.902 nan 8.190 nan 0.000 0.477 600 P HA 0.251 nan 4.420 nan 0.000 0.267 600 P C -0.316 176.889 177.300 -0.158 0.000 1.200 600 P CA 0.045 63.051 63.100 -0.157 0.000 0.772 600 P CB 0.521 32.174 31.700 -0.079 0.000 0.855 601 R N 0.754 121.173 120.500 -0.134 0.000 2.673 601 R HA 0.530 4.859 4.340 -0.020 0.000 0.281 601 R C -0.976 175.277 176.300 -0.078 0.000 0.991 601 R CA -0.537 55.484 56.100 -0.131 0.000 0.896 601 R CB 1.909 32.114 30.300 -0.157 0.000 1.201 601 R HN 0.308 nan 8.270 nan 0.000 0.457 602 T N 2.532 117.060 114.554 -0.044 0.000 2.842 602 T HA 0.253 4.592 4.350 -0.020 0.000 0.308 602 T C -0.579 174.040 174.700 -0.136 0.000 1.041 602 T CA -0.439 61.607 62.100 -0.089 0.000 0.964 602 T CB 1.052 69.837 68.868 -0.139 0.000 0.972 602 T HN 0.137 nan 8.240 nan 0.000 0.460 603 V N 5.861 125.699 119.914 -0.127 0.000 2.385 603 V HA 0.424 4.532 4.120 -0.020 0.000 0.269 603 V C 0.106 176.115 176.094 -0.140 0.000 1.043 603 V CA -0.388 61.838 62.300 -0.123 0.000 0.906 603 V CB 0.733 32.500 31.823 -0.094 0.000 0.995 603 V HN 0.848 nan 8.190 nan 0.000 0.467 604 M N 6.669 126.169 119.600 -0.165 0.000 2.181 604 M HA 0.604 5.072 4.480 -0.020 0.000 0.323 604 M C -1.020 175.162 176.300 -0.197 0.000 1.004 604 M CA -0.126 55.064 55.300 -0.182 0.000 0.941 604 M CB 1.857 34.331 32.600 -0.210 0.000 1.579 604 M HN 0.441 nan 8.290 nan 0.000 0.427 605 I N 2.021 122.460 120.570 -0.217 0.000 2.498 605 I HA 0.818 4.976 4.170 -0.020 0.000 0.290 605 I C 0.090 175.889 176.117 -0.531 0.000 1.032 605 I CA -0.613 60.534 61.300 -0.255 0.000 1.073 605 I CB 2.293 40.232 38.000 -0.101 0.000 1.251 605 I HN 0.784 nan 8.210 nan 0.000 0.426 606 G N 2.970 111.423 108.800 -0.579 0.000 2.690 606 G HA2 0.851 4.800 3.960 -0.020 0.000 0.291 606 G HA3 0.851 4.800 3.960 -0.020 0.000 0.291 606 G C -1.035 173.583 174.900 -0.470 0.000 1.403 606 G CA -0.789 43.817 45.100 -0.823 0.000 0.864 606 G HN 0.979 nan 8.290 nan 0.000 0.480 607 G N -0.492 108.186 108.800 -0.205 0.000 2.352 607 G HA2 0.419 4.367 3.960 -0.020 0.000 0.305 607 G HA3 0.419 4.367 3.960 -0.020 0.000 0.305 607 G C -1.372 173.657 174.900 0.215 0.000 1.537 607 G CA -1.004 44.130 45.100 0.057 0.000 0.959 607 G HN 0.595 nan 8.290 nan 0.000 0.668 608 K N -0.214 120.303 120.400 0.195 0.000 2.110 608 K HA 0.777 5.085 4.320 -0.020 0.000 0.263 608 K C 0.187 176.905 176.600 0.197 0.000 0.975 608 K CA -0.217 56.198 56.287 0.213 0.000 0.895 608 K CB 2.021 34.547 32.500 0.043 0.000 1.060 608 K HN 0.889 nan 8.250 nan 0.000 0.448 609 A N 1.347 124.319 122.820 0.253 0.000 2.337 609 A HA 0.675 4.983 4.320 -0.020 0.000 0.329 609 A C -0.614 177.114 177.584 0.240 0.000 1.146 609 A CA -0.765 51.349 52.037 0.129 0.000 0.800 609 A CB 1.187 20.186 19.000 -0.002 0.000 1.220 609 A HN 0.769 nan 8.150 nan 0.000 0.472 610 A N 3.392 126.326 122.820 0.190 0.000 2.511 610 A HA 0.481 4.789 4.320 -0.020 0.000 0.242 610 A C -1.361 176.277 177.584 0.091 0.000 1.069 610 A CA -0.782 51.370 52.037 0.192 0.000 0.763 610 A CB -0.383 18.699 19.000 0.136 0.000 1.001 610 A HN 0.596 nan 8.150 nan 0.000 0.498 611 P HA -0.161 nan 4.420 nan 0.000 0.216 611 P C 1.280 178.562 177.300 -0.030 0.000 1.154 611 P CA 2.098 65.132 63.100 -0.111 0.000 0.865 611 P CB 0.175 31.759 31.700 -0.194 0.000 0.789 612 G N -3.233 105.567 108.800 -0.001 0.000 3.189 612 G HA2 -0.087 3.861 3.960 -0.020 0.000 0.225 612 G HA3 -0.087 3.861 3.960 -0.020 0.000 0.225 612 G C -0.252 174.677 174.900 0.049 0.000 1.159 612 G CA -0.019 45.088 45.100 0.012 0.000 0.763 612 G HN 0.161 nan 8.290 nan 0.000 0.549 613 Y N 2.037 122.272 120.300 -0.108 0.000 2.636 613 Y HA 0.276 4.814 4.550 -0.020 0.000 0.341 613 Y C 1.386 177.267 175.900 -0.030 0.000 1.169 613 Y CA -2.006 56.016 58.100 -0.129 0.000 1.498 613 Y CB -0.470 37.873 38.460 -0.195 0.000 1.362 613 Y HN 0.382 nan 8.280 nan 0.000 0.494 614 H N 3.350 122.546 119.070 0.210 0.000 2.265 614 H HA -0.266 4.278 4.556 -0.020 0.000 0.293 614 H C 2.025 177.393 175.328 0.067 0.000 1.089 614 H CA 3.011 59.128 56.048 0.115 0.000 1.244 614 H CB 0.169 29.991 29.762 0.100 0.000 1.355 614 H HN 0.577 nan 8.280 nan 0.000 0.485 615 M N 0.426 120.031 119.600 0.007 0.000 2.106 615 M HA -0.115 4.353 4.480 -0.020 0.000 0.259 615 M C 2.413 178.477 176.300 -0.393 0.000 1.068 615 M CA 1.993 57.204 55.300 -0.148 0.000 1.100 615 M CB -0.974 31.689 32.600 0.104 0.000 1.351 615 M HN 0.429 nan 8.290 nan 0.000 0.404 616 A N -0.804 121.533 122.820 -0.805 0.000 1.972 616 A HA -0.194 4.114 4.320 -0.020 0.000 0.219 616 A C 2.207 179.564 177.584 -0.379 0.000 1.169 616 A CA 1.860 53.424 52.037 -0.789 0.000 0.635 616 A CB -0.626 17.634 19.000 -1.235 0.000 0.810 616 A HN 0.595 nan 8.150 nan 0.000 0.446 617 K N -1.252 118.985 120.400 -0.272 0.000 2.228 617 K HA 0.047 4.355 4.320 -0.020 0.000 0.202 617 K C 1.823 178.353 176.600 -0.117 0.000 1.051 617 K CA 0.884 57.100 56.287 -0.118 0.000 0.960 617 K CB -0.125 32.376 32.500 0.001 0.000 0.743 617 K HN 0.326 nan 8.250 nan 0.000 0.458 618 M N 0.475 119.957 119.600 -0.197 0.000 2.254 618 M HA -0.046 4.422 4.480 -0.020 0.000 0.265 618 M C 2.032 178.251 176.300 -0.134 0.000 1.066 618 M CA 1.325 56.547 55.300 -0.129 0.000 1.123 618 M CB -0.458 32.053 32.600 -0.148 0.000 1.388 618 M HN 0.124 nan 8.290 nan 0.000 0.425 619 I N -0.120 120.338 120.570 -0.187 0.000 2.226 619 I HA -0.305 3.854 4.170 -0.020 0.000 0.245 619 I C 2.254 178.233 176.117 -0.230 0.000 1.100 619 I CA 1.077 62.260 61.300 -0.195 0.000 1.374 619 I CB -0.246 37.639 38.000 -0.192 0.000 1.057 619 I HN 0.170 nan 8.210 nan 0.000 0.413 620 I N 0.612 121.025 120.570 -0.262 0.000 2.226 620 I HA -0.297 3.862 4.170 -0.020 0.000 0.245 620 I C 2.553 178.382 176.117 -0.480 0.000 1.100 620 I CA 1.192 62.247 61.300 -0.408 0.000 1.374 620 I CB -0.283 37.451 38.000 -0.444 0.000 1.057 620 I HN 0.154 nan 8.210 nan 0.000 0.413 621 K N 1.347 121.477 120.400 -0.450 0.000 2.097 621 K HA -0.185 4.123 4.320 -0.020 0.000 0.205 621 K C 1.937 178.373 176.600 -0.273 0.000 1.050 621 K CA 1.374 57.322 56.287 -0.565 0.000 0.938 621 K CB -0.463 31.443 32.500 -0.990 0.000 0.718 621 K HN 0.148 nan 8.250 nan 0.000 0.442 622 L N 0.609 121.690 121.223 -0.236 0.000 2.027 622 L HA 0.011 4.339 4.340 -0.020 0.000 0.206 622 L C 1.949 178.578 176.870 -0.402 0.000 1.074 622 L CA 1.596 56.138 54.840 -0.498 0.000 0.745 622 L CB -0.401 41.277 42.059 -0.634 0.000 0.898 622 L HN 0.254 nan 8.230 nan 0.000 0.433 623 I N -0.366 120.020 120.570 -0.306 0.000 2.163 623 I HA -0.335 3.823 4.170 -0.020 0.000 0.243 623 I C 2.443 178.452 176.117 -0.180 0.000 1.085 623 I CA 1.908 63.081 61.300 -0.212 0.000 1.347 623 I CB -0.838 37.113 38.000 -0.082 0.000 1.044 623 I HN 0.517 nan 8.210 nan 0.000 0.408 624 T N -1.038 113.382 114.554 -0.223 0.000 2.904 624 T HA -0.016 4.322 4.350 -0.020 0.000 0.267 624 T C 1.976 176.613 174.700 -0.105 0.000 1.059 624 T CA 0.838 62.843 62.100 -0.158 0.000 1.137 624 T CB -0.379 68.356 68.868 -0.223 0.000 0.879 624 T HN 0.328 nan 8.240 nan 0.000 0.467 625 A N 1.509 124.263 122.820 -0.109 0.000 1.933 625 A HA 0.138 4.446 4.320 -0.020 0.000 0.218 625 A C 2.371 179.972 177.584 0.028 0.000 1.175 625 A CA 1.256 53.300 52.037 0.012 0.000 0.628 625 A CB -0.828 18.274 19.000 0.169 0.000 0.814 625 A HN 0.588 nan 8.150 nan 0.000 0.444 626 I N -0.384 120.100 120.570 -0.143 0.000 2.179 626 I HA -0.203 3.955 4.170 -0.020 0.000 0.242 626 I C 2.685 178.761 176.117 -0.068 0.000 1.088 626 I CA 1.200 62.396 61.300 -0.174 0.000 1.357 626 I CB -0.559 37.220 38.000 -0.368 0.000 1.051 626 I HN 0.402 nan 8.210 nan 0.000 0.409 627 G N 0.069 108.820 108.800 -0.082 0.000 2.432 627 G HA2 -0.235 3.713 3.960 -0.020 0.000 0.219 627 G HA3 -0.235 3.713 3.960 -0.020 0.000 0.219 627 G C 1.244 176.119 174.900 -0.041 0.000 1.135 627 G CA 0.735 45.790 45.100 -0.075 0.000 0.767 627 G HN 0.275 nan 8.290 nan 0.000 0.550 628 D N 0.123 120.539 120.400 0.027 0.000 2.117 628 D HA -0.086 4.542 4.640 -0.020 0.000 0.197 628 D C 2.736 179.115 176.300 0.131 0.000 0.987 628 D CA 0.774 54.849 54.000 0.125 0.000 0.829 628 D CB -0.134 40.713 40.800 0.079 0.000 0.961 628 D HN 0.251 nan 8.370 nan 0.000 0.460 629 V N 0.169 120.094 119.914 0.018 0.000 2.300 629 V HA -0.133 3.976 4.120 -0.020 0.000 0.241 629 V C 2.636 178.643 176.094 -0.145 0.000 1.034 629 V CA 0.747 62.996 62.300 -0.086 0.000 1.021 629 V CB -0.470 31.229 31.823 -0.207 0.000 0.662 629 V HN 0.014 nan 8.190 nan 0.000 0.458 630 V N 1.099 120.858 119.914 -0.258 0.000 2.332 630 V HA -0.230 3.878 4.120 -0.020 0.000 0.248 630 V C 2.153 178.162 176.094 -0.141 0.000 1.055 630 V CA 2.133 64.259 62.300 -0.291 0.000 1.038 630 V CB -0.925 30.730 31.823 -0.279 0.000 0.651 630 V HN 0.567 nan 8.190 nan 0.000 0.450 631 N N -0.649 117.924 118.700 -0.211 0.000 2.550 631 N HA -0.082 4.646 4.740 -0.020 0.000 0.186 631 N C 1.227 176.430 175.510 -0.512 0.000 1.110 631 N CA 0.843 53.683 53.050 -0.349 0.000 0.912 631 N CB -0.230 37.987 38.487 -0.449 0.000 0.968 631 N HN 0.608 nan 8.380 nan 0.000 0.448 632 H N -1.327 117.740 119.070 -0.004 0.000 2.785 632 H HA 0.156 4.700 4.556 -0.019 0.000 0.268 632 H C -0.458 174.885 175.328 0.025 0.000 1.153 632 H CA -0.368 55.685 56.048 0.007 0.000 1.111 632 H CB 0.720 30.477 29.762 -0.008 0.000 1.633 632 H HN 0.064 nan 8.280 nan 0.000 0.576 633 D N 3.287 123.753 120.400 0.110 0.000 2.339 633 D HA 0.058 4.687 4.640 -0.020 0.000 0.241 633 D C -1.332 175.031 176.300 0.105 0.000 1.183 633 D CA -1.951 52.134 54.000 0.142 0.000 0.859 633 D CB 2.013 42.972 40.800 0.264 0.000 1.067 633 D HN 0.096 nan 8.370 nan 0.000 0.484 634 P HA -0.171 nan 4.420 nan 0.000 0.218 634 P C 1.504 178.835 177.300 0.052 0.000 1.148 634 P CA 0.665 63.802 63.100 0.062 0.000 0.822 634 P CB 0.144 31.876 31.700 0.053 0.000 0.784 635 V N -1.547 118.398 119.914 0.053 0.000 2.809 635 V HA -0.099 4.009 4.120 -0.020 0.000 0.256 635 V C 2.116 178.227 176.094 0.029 0.000 1.080 635 V CA 1.356 63.675 62.300 0.031 0.000 1.102 635 V CB -1.074 30.756 31.823 0.013 0.000 0.705 635 V HN -0.098 nan 8.190 nan 0.000 0.475 636 V N 1.418 121.369 119.914 0.061 0.000 2.379 636 V HA 0.231 4.339 4.120 -0.020 0.000 0.245 636 V C 2.125 178.237 176.094 0.029 0.000 1.044 636 V CA 1.526 63.863 62.300 0.061 0.000 1.036 636 V CB -1.414 30.493 31.823 0.140 0.000 0.664 636 V HN 1.032 nan 8.190 nan 0.000 0.453 637 G N 1.643 110.463 108.800 0.033 0.000 2.574 637 G HA2 -0.371 3.577 3.960 -0.020 0.000 0.286 637 G HA3 -0.371 3.577 3.960 -0.020 0.000 0.286 637 G C 0.484 175.390 174.900 0.010 0.000 1.212 637 G CA 0.410 45.524 45.100 0.023 0.000 0.979 637 G HN 0.607 nan 8.290 nan 0.000 0.557 638 D N 0.559 120.964 120.400 0.008 0.000 2.319 638 D HA 0.088 4.716 4.640 -0.020 0.000 0.230 638 D C 1.975 178.263 176.300 -0.021 0.000 1.094 638 D CA 0.298 54.298 54.000 -0.001 0.000 0.856 638 D CB 0.020 40.828 40.800 0.013 0.000 0.915 638 D HN 0.537 nan 8.370 nan 0.000 0.517 639 R N -0.530 119.951 120.500 -0.032 0.000 2.153 639 R HA 0.198 4.526 4.340 -0.020 0.000 0.218 639 R C 0.178 176.433 176.300 -0.075 0.000 1.072 639 R CA 0.345 56.403 56.100 -0.070 0.000 0.990 639 R CB 0.190 30.435 30.300 -0.092 0.000 0.889 639 R HN 0.100 nan 8.270 nan 0.000 0.452 640 L N 0.438 121.633 121.223 -0.047 0.000 2.505 640 L HA 0.424 4.753 4.340 -0.020 0.000 0.266 640 L C -1.595 175.242 176.870 -0.055 0.000 0.954 640 L CA -0.525 54.283 54.840 -0.052 0.000 0.852 640 L CB 1.791 43.835 42.059 -0.025 0.000 1.282 640 L HN -0.150 nan 8.230 nan 0.000 0.403 641 R N 3.985 124.441 120.500 -0.073 0.000 2.575 641 R HA 0.718 5.046 4.340 -0.020 0.000 0.293 641 R C -1.641 174.601 176.300 -0.097 0.000 0.983 641 R CA -0.756 55.292 56.100 -0.087 0.000 0.887 641 R CB 2.367 32.617 30.300 -0.083 0.000 1.184 641 R HN 0.419 nan 8.270 nan 0.000 0.445 642 V N 5.274 125.128 119.914 -0.099 0.000 2.378 642 V HA 0.475 4.583 4.120 -0.020 0.000 0.288 642 V C -0.013 176.037 176.094 -0.073 0.000 1.016 642 V CA -0.634 61.611 62.300 -0.092 0.000 0.840 642 V CB 1.708 33.473 31.823 -0.097 0.000 0.994 642 V HN 0.494 nan 8.190 nan 0.000 0.431 643 I N 4.930 125.457 120.570 -0.073 0.000 2.465 643 I HA 0.414 4.572 4.170 -0.020 0.000 0.291 643 I C -0.707 175.395 176.117 -0.024 0.000 1.014 643 I CA -0.521 60.751 61.300 -0.047 0.000 1.093 643 I CB 1.932 39.882 38.000 -0.084 0.000 1.267 643 I HN 0.561 nan 8.210 nan 0.000 0.431 644 F N 6.978 126.874 119.950 -0.089 0.000 2.391 644 F HA 0.455 4.970 4.527 -0.019 0.000 0.359 644 F C -0.340 175.414 175.800 -0.077 0.000 1.122 644 F CA -0.550 57.399 58.000 -0.085 0.000 1.120 644 F CB 0.754 39.707 39.000 -0.078 0.000 1.142 644 F HN 0.255 nan 8.300 nan 0.000 0.483 645 L N 6.860 127.665 121.223 -0.697 0.000 2.407 645 L HA 0.190 4.518 4.340 -0.020 0.000 0.282 645 L C 0.396 176.981 176.870 -0.476 0.000 1.110 645 L CA -0.264 54.304 54.840 -0.453 0.000 0.863 645 L CB 0.147 42.031 42.059 -0.293 0.000 1.207 645 L HN 0.633 nan 8.230 nan 0.000 0.454 646 E N 4.073 124.186 120.200 -0.146 0.000 2.366 646 E HA 0.012 4.350 4.350 -0.020 0.000 0.266 646 E C 0.186 176.848 176.600 0.103 0.000 1.051 646 E CA -0.692 55.783 56.400 0.126 0.000 0.884 646 E CB 0.634 30.497 29.700 0.272 0.000 1.006 646 E HN 0.538 nan 8.360 nan 0.000 0.417 647 N N 1.285 120.100 118.700 0.191 0.000 2.738 647 N HA -0.263 4.465 4.740 -0.020 0.000 0.249 647 N C -1.499 174.087 175.510 0.126 0.000 1.047 647 N CA 0.620 53.767 53.050 0.161 0.000 0.707 647 N CB -1.866 36.730 38.487 0.182 0.000 0.937 647 N HN 0.651 nan 8.380 nan 0.000 0.545 648 Y N 1.420 121.715 120.300 -0.009 0.000 2.632 648 Y HA 0.123 4.661 4.550 -0.020 0.000 0.329 648 Y C 1.135 177.042 175.900 0.013 0.000 1.174 648 Y CA 0.337 58.419 58.100 -0.030 0.000 1.469 648 Y CB 0.342 38.756 38.460 -0.077 0.000 1.242 648 Y HN 0.341 nan 8.280 nan 0.000 0.540 649 R N 2.677 122.838 120.500 -0.566 0.000 2.781 649 R HA 0.375 4.703 4.340 -0.020 0.000 0.268 649 R C -0.378 175.574 176.300 -0.580 0.000 1.047 649 R CA -0.604 55.231 56.100 -0.442 0.000 0.925 649 R CB 0.508 30.756 30.300 -0.087 0.000 1.246 649 R HN 0.452 nan 8.270 nan 0.000 0.456 650 V N 1.177 120.765 119.914 -0.544 0.000 2.324 650 V HA -0.299 3.809 4.120 -0.020 0.000 0.250 650 V C 2.546 178.498 176.094 -0.237 0.000 1.060 650 V CA 2.917 64.960 62.300 -0.428 0.000 1.042 650 V CB -0.790 30.720 31.823 -0.521 0.000 0.650 650 V HN 0.921 nan 8.190 nan 0.000 0.450 651 S N -0.413 115.173 115.700 -0.191 0.000 2.428 651 S HA -0.102 4.356 4.470 -0.020 0.000 0.230 651 S C 1.854 176.390 174.600 -0.106 0.000 1.014 651 S CA 1.302 59.419 58.200 -0.138 0.000 0.957 651 S CB -0.329 62.819 63.200 -0.087 0.000 0.784 651 S HN 0.401 nan 8.310 nan 0.000 0.499 652 L N 1.838 123.002 121.223 -0.098 0.000 2.179 652 L HA 0.404 4.732 4.340 -0.020 0.000 0.208 652 L C 2.608 179.492 176.870 0.023 0.000 1.096 652 L CA 1.280 56.109 54.840 -0.018 0.000 0.779 652 L CB -1.222 40.870 42.059 0.056 0.000 0.922 652 L HN 0.331 nan 8.230 nan 0.000 0.443 653 A N -0.723 122.083 122.820 -0.023 0.000 1.933 653 A HA -0.222 4.086 4.320 -0.020 0.000 0.218 653 A C 2.142 179.794 177.584 0.114 0.000 1.175 653 A CA 1.778 53.884 52.037 0.114 0.000 0.628 653 A CB -0.568 18.486 19.000 0.090 0.000 0.814 653 A HN 0.581 nan 8.150 nan 0.000 0.444 654 E N -0.487 119.749 120.200 0.061 0.000 2.268 654 E HA -0.143 4.195 4.350 -0.020 0.000 0.195 654 E C 1.868 178.443 176.600 -0.041 0.000 0.995 654 E CA 1.082 57.476 56.400 -0.010 0.000 0.836 654 E CB -0.017 29.577 29.700 -0.177 0.000 0.763 654 E HN 0.625 nan 8.360 nan 0.000 0.491 655 K N -0.014 120.357 120.400 -0.048 0.000 2.121 655 K HA 0.023 4.332 4.320 -0.020 0.000 0.203 655 K C 2.141 178.673 176.600 -0.113 0.000 1.041 655 K CA 0.435 56.705 56.287 -0.029 0.000 0.969 655 K CB -0.052 32.417 32.500 -0.051 0.000 0.799 655 K HN -0.056 nan 8.250 nan 0.000 0.456 656 V N 2.007 121.763 119.914 -0.263 0.000 2.453 656 V HA -0.144 3.964 4.120 -0.020 0.000 0.247 656 V C 1.932 177.779 176.094 -0.412 0.000 1.048 656 V CA 1.255 63.112 62.300 -0.739 0.000 1.049 656 V CB -0.185 31.308 31.823 -0.549 0.000 0.672 656 V HN 0.259 nan 8.190 nan 0.000 0.457 657 I N 0.726 121.123 120.570 -0.288 0.000 2.142 657 I HA -0.136 4.022 4.170 -0.020 0.000 0.240 657 I C -0.244 175.762 176.117 -0.185 0.000 1.078 657 I CA 1.693 62.755 61.300 -0.398 0.000 1.343 657 I CB -1.554 36.100 38.000 -0.578 0.000 1.046 657 I HN 0.373 nan 8.210 nan 0.000 0.405 658 P HA -0.104 nan 4.420 nan 0.000 0.225 658 P C 0.803 178.105 177.300 0.003 0.000 1.148 658 P CA 1.125 64.207 63.100 -0.029 0.000 0.779 658 P CB 0.023 31.717 31.700 -0.011 0.000 0.780 659 A N -1.290 121.515 122.820 -0.025 0.000 2.308 659 A HA 0.518 4.826 4.320 -0.020 0.000 0.217 659 A C 1.099 178.784 177.584 0.168 0.000 1.216 659 A CA 0.008 52.080 52.037 0.058 0.000 0.864 659 A CB -0.545 18.496 19.000 0.067 0.000 0.902 659 A HN 0.190 nan 8.150 nan 0.000 0.499 660 A N -0.189 122.721 122.820 0.150 0.000 2.327 660 A HA 0.503 4.811 4.320 -0.020 0.000 0.283 660 A C 0.334 178.054 177.584 0.228 0.000 1.127 660 A CA -0.243 51.942 52.037 0.247 0.000 0.810 660 A CB 0.402 19.648 19.000 0.410 0.000 1.066 660 A HN 0.253 nan 8.150 nan 0.000 0.492 661 D N 0.326 120.852 120.400 0.209 0.000 2.490 661 D HA 0.106 4.734 4.640 -0.020 0.000 0.244 661 D C -0.209 176.276 176.300 0.308 0.000 0.979 661 D CA 0.871 55.037 54.000 0.277 0.000 0.924 661 D CB 0.223 41.089 40.800 0.110 0.000 1.075 661 D HN 0.361 nan 8.370 nan 0.000 0.488 662 L N 0.666 121.957 121.223 0.113 0.000 2.356 662 L HA 0.348 4.677 4.340 -0.020 0.000 0.277 662 L C -0.678 176.050 176.870 -0.238 0.000 0.996 662 L CA -0.511 54.319 54.840 -0.018 0.000 0.822 662 L CB 2.025 44.050 42.059 -0.056 0.000 1.256 662 L HN -0.246 nan 8.230 nan 0.000 0.413 663 S N 4.422 119.890 115.700 -0.386 0.000 2.429 663 S HA 0.460 4.918 4.470 -0.020 0.000 0.302 663 S C -0.632 173.674 174.600 -0.490 0.000 1.115 663 S CA -0.664 57.057 58.200 -0.799 0.000 1.095 663 S CB 0.479 63.095 63.200 -0.974 0.000 0.987 663 S HN 0.643 nan 8.310 nan 0.000 0.474 664 E N 4.174 124.109 120.200 -0.441 0.000 2.089 664 E HA 0.197 4.535 4.350 -0.020 0.000 0.284 664 E C -0.517 175.971 176.600 -0.187 0.000 1.023 664 E CA -0.423 55.844 56.400 -0.221 0.000 0.819 664 E CB 0.904 30.511 29.700 -0.155 0.000 1.076 664 E HN 0.620 nan 8.360 nan 0.000 0.396 665 Q N 2.907 122.648 119.800 -0.098 0.000 2.965 665 Q HA 0.248 4.576 4.340 -0.020 0.000 0.288 665 Q C 0.652 176.635 176.000 -0.029 0.000 0.974 665 Q CA -0.128 55.632 55.803 -0.071 0.000 0.849 665 Q CB 0.253 28.962 28.738 -0.048 0.000 1.280 665 Q HN 0.629 nan 8.270 nan 0.000 0.441 666 I N -1.509 119.032 120.570 -0.048 0.000 3.805 666 I HA 0.251 4.409 4.170 -0.020 0.000 0.337 666 I C 0.386 176.439 176.117 -0.106 0.000 1.539 666 I CA -0.573 60.700 61.300 -0.044 0.000 1.176 666 I CB 0.155 38.134 38.000 -0.036 0.000 1.248 666 I HN -0.003 nan 8.210 nan 0.000 0.437 667 S N 0.498 116.138 115.700 -0.100 0.000 2.584 667 S HA 0.192 4.650 4.470 -0.020 0.000 0.270 667 S C 0.537 175.109 174.600 -0.047 0.000 1.346 667 S CA -0.283 57.873 58.200 -0.072 0.000 1.018 667 S CB 0.528 63.732 63.200 0.007 0.000 0.899 667 S HN 0.398 nan 8.310 nan 0.000 0.542 668 T N 2.713 117.275 114.554 0.013 0.000 2.867 668 T HA 0.396 4.734 4.350 -0.020 0.000 0.297 668 T C 0.744 175.450 174.700 0.011 0.000 0.989 668 T CA 0.271 62.387 62.100 0.026 0.000 1.159 668 T CB -0.032 68.923 68.868 0.146 0.000 0.928 668 T HN 1.016 nan 8.240 nan 0.000 0.538 669 A N 2.910 125.704 122.820 -0.043 0.000 2.591 669 A HA 0.422 4.730 4.320 -0.020 0.000 0.244 669 A C 1.661 179.237 177.584 -0.014 0.000 1.031 669 A CA 0.378 52.388 52.037 -0.045 0.000 0.767 669 A CB -0.912 18.049 19.000 -0.065 0.000 0.942 669 A HN 1.705 nan 8.150 nan 0.000 0.514 670 G N 1.413 110.206 108.800 -0.012 0.000 2.175 670 G HA2 -0.245 3.703 3.960 -0.020 0.000 0.244 670 G HA3 -0.245 3.703 3.960 -0.020 0.000 0.244 670 G C 0.906 175.798 174.900 -0.013 0.000 0.982 670 G CA 1.140 46.235 45.100 -0.009 0.000 0.641 670 G HN 2.045 nan 8.290 nan 0.000 0.527 671 T N -2.477 112.072 114.554 -0.009 0.000 3.018 671 T HA 0.405 4.743 4.350 -0.020 0.000 0.246 671 T C 0.756 175.337 174.700 -0.198 0.000 1.026 671 T CA 1.083 63.123 62.100 -0.101 0.000 1.081 671 T CB 0.545 69.405 68.868 -0.015 0.000 0.970 671 T HN 0.284 nan 8.240 nan 0.000 0.475 672 E N 1.445 121.651 120.200 0.009 0.000 2.052 672 E HA 0.663 5.001 4.350 -0.020 0.000 0.283 672 E C 1.179 177.744 176.600 -0.058 0.000 1.071 672 E CA 0.076 56.517 56.400 0.067 0.000 0.851 672 E CB 0.816 30.600 29.700 0.140 0.000 1.066 672 E HN 0.338 nan 8.360 nan 0.000 0.396 673 A N 3.444 126.157 122.820 -0.179 0.000 1.903 673 A HA -0.238 4.070 4.320 -0.020 0.000 0.219 673 A C 1.956 179.422 177.584 -0.196 0.000 1.191 673 A CA 2.376 54.175 52.037 -0.396 0.000 0.638 673 A CB -0.277 18.268 19.000 -0.758 0.000 0.823 673 A HN 0.621 nan 8.150 nan 0.000 0.451 674 S N -4.199 111.445 115.700 -0.095 0.000 4.193 674 S HA 0.454 4.912 4.470 -0.020 0.000 0.211 674 S C 0.658 175.253 174.600 -0.007 0.000 1.162 674 S CA 1.365 59.553 58.200 -0.021 0.000 1.039 674 S CB -0.127 63.081 63.200 0.014 0.000 1.371 674 S HN 2.336 nan 8.310 nan 0.000 0.550 675 G N 0.184 108.985 108.800 0.002 0.000 2.692 675 G HA2 0.032 3.980 3.960 -0.020 0.000 0.686 675 G HA3 0.032 3.980 3.960 -0.020 0.000 0.686 675 G C 0.216 175.105 174.900 -0.019 0.000 1.243 675 G CA 0.433 45.532 45.100 -0.002 0.000 0.782 675 G HN 1.418 nan 8.290 nan 0.000 0.625 676 T N -2.434 112.093 114.554 -0.044 0.000 3.029 676 T HA 0.368 4.707 4.350 -0.020 0.000 0.256 676 T C 2.318 176.923 174.700 -0.159 0.000 0.914 676 T CA 1.254 63.301 62.100 -0.088 0.000 0.880 676 T CB 0.283 69.095 68.868 -0.093 0.000 1.246 676 T HN 1.914 nan 8.240 nan 0.000 0.523 677 G N 3.190 111.921 108.800 -0.116 0.000 2.432 677 G HA2 -0.231 3.718 3.960 -0.020 0.000 0.219 677 G HA3 -0.231 3.718 3.960 -0.020 0.000 0.219 677 G C 1.527 176.465 174.900 0.063 0.000 1.135 677 G CA 1.246 46.285 45.100 -0.102 0.000 0.767 677 G HN 0.679 nan 8.290 nan 0.000 0.550 678 N N 1.266 119.992 118.700 0.044 0.000 2.104 678 N HA -0.160 4.569 4.740 -0.020 0.000 0.190 678 N C 2.026 177.544 175.510 0.012 0.000 1.024 678 N CA 1.788 54.872 53.050 0.056 0.000 0.853 678 N CB -0.735 37.737 38.487 -0.024 0.000 1.008 678 N HN 0.407 nan 8.380 nan 0.000 0.424 679 M N 0.210 119.748 119.600 -0.103 0.000 2.175 679 M HA 0.005 4.473 4.480 -0.020 0.000 0.264 679 M C 1.942 178.190 176.300 -0.087 0.000 1.063 679 M CA 1.403 56.623 55.300 -0.134 0.000 1.119 679 M CB -0.250 32.277 32.600 -0.122 0.000 1.377 679 M HN 0.101 nan 8.290 nan 0.000 0.415 680 K N 0.132 120.411 120.400 -0.202 0.000 2.057 680 K HA -0.105 4.203 4.320 -0.020 0.000 0.207 680 K C 1.703 178.188 176.600 -0.192 0.000 1.049 680 K CA 1.383 57.484 56.287 -0.311 0.000 0.931 680 K CB -0.276 31.801 32.500 -0.704 0.000 0.714 680 K HN 0.156 nan 8.250 nan 0.000 0.440 681 F N 1.017 120.896 119.950 -0.118 0.000 2.186 681 F HA -0.096 4.419 4.527 -0.020 0.000 0.299 681 F C 2.506 178.278 175.800 -0.046 0.000 1.090 681 F CA 1.117 59.072 58.000 -0.075 0.000 1.307 681 F CB -0.256 38.688 39.000 -0.093 0.000 1.019 681 F HN -0.003 nan 8.300 nan 0.000 0.489 682 M N -0.569 119.115 119.600 0.140 0.000 2.175 682 M HA -0.167 4.301 4.480 -0.020 0.000 0.264 682 M C 2.013 178.366 176.300 0.089 0.000 1.063 682 M CA 1.469 56.824 55.300 0.092 0.000 1.119 682 M CB -0.163 32.479 32.600 0.071 0.000 1.377 682 M HN 0.253 nan 8.290 nan 0.000 0.415 683 L N 0.558 121.829 121.223 0.080 0.000 2.291 683 L HA -0.032 4.296 4.340 -0.020 0.000 0.214 683 L C 0.545 177.458 176.870 0.072 0.000 1.120 683 L CA 1.693 56.586 54.840 0.089 0.000 0.799 683 L CB -0.473 41.649 42.059 0.105 0.000 0.925 683 L HN 0.300 nan 8.230 nan 0.000 0.446 684 N N -0.168 118.567 118.700 0.059 0.000 2.321 684 N HA 0.367 5.096 4.740 -0.020 0.000 0.242 684 N C 0.572 176.119 175.510 0.061 0.000 1.141 684 N CA 0.602 53.681 53.050 0.049 0.000 0.864 684 N CB 0.565 39.064 38.487 0.020 0.000 1.100 684 N HN 0.264 nan 8.380 nan 0.000 0.510 685 G N -0.232 108.606 108.800 0.064 0.000 2.182 685 G HA2 -0.161 3.787 3.960 -0.020 0.000 0.248 685 G HA3 -0.161 3.787 3.960 -0.020 0.000 0.248 685 G C -0.082 174.884 174.900 0.111 0.000 1.042 685 G CA 0.172 45.311 45.100 0.065 0.000 0.775 685 G HN 0.547 nan 8.290 nan 0.000 0.501 686 A N -0.487 122.406 122.820 0.122 0.000 2.355 686 A HA 0.892 5.200 4.320 -0.020 0.000 0.324 686 A C 0.230 177.820 177.584 0.011 0.000 1.117 686 A CA -0.700 51.426 52.037 0.147 0.000 0.785 686 A CB 1.242 20.385 19.000 0.239 0.000 1.254 686 A HN 0.704 nan 8.150 nan 0.000 0.453 687 L N 0.867 122.059 121.223 -0.051 0.000 2.399 687 L HA 0.478 4.806 4.340 -0.020 0.000 0.265 687 L C 0.200 176.937 176.870 -0.222 0.000 1.089 687 L CA -0.366 54.346 54.840 -0.213 0.000 0.802 687 L CB 1.674 43.522 42.059 -0.351 0.000 1.180 687 L HN 0.713 nan 8.230 nan 0.000 0.454 688 T N 2.778 117.075 114.554 -0.429 0.000 2.823 688 T HA 0.484 4.822 4.350 -0.020 0.000 0.279 688 T C -0.459 174.064 174.700 -0.295 0.000 0.998 688 T CA -0.262 61.548 62.100 -0.482 0.000 0.994 688 T CB 1.619 69.997 68.868 -0.817 0.000 0.960 688 T HN 0.376 nan 8.240 nan 0.000 0.448 689 I N 2.796 123.298 120.570 -0.113 0.000 2.382 689 I HA 0.706 4.865 4.170 -0.020 0.000 0.285 689 I C -0.035 176.215 176.117 0.222 0.000 1.007 689 I CA 0.012 61.368 61.300 0.094 0.000 1.142 689 I CB 0.192 38.183 38.000 -0.014 0.000 1.289 689 I HN 0.795 nan 8.210 nan 0.000 0.453 690 G N 3.957 112.958 108.800 0.335 0.000 2.600 690 G HA2 0.496 4.444 3.960 -0.020 0.000 0.293 690 G HA3 0.496 4.444 3.960 -0.020 0.000 0.293 690 G C -0.876 173.973 174.900 -0.085 0.000 1.408 690 G CA -0.348 44.881 45.100 0.215 0.000 0.782 690 G HN 0.529 nan 8.290 nan 0.000 0.482 691 T N -1.715 112.654 114.554 -0.309 0.000 2.881 691 T HA 0.528 4.866 4.350 -0.020 0.000 0.278 691 T C 0.647 175.244 174.700 -0.172 0.000 0.982 691 T CA -0.688 61.157 62.100 -0.424 0.000 0.989 691 T CB 1.163 69.775 68.868 -0.426 0.000 1.058 691 T HN 0.239 nan 8.240 nan 0.000 0.529 692 M N 2.754 122.261 119.600 -0.155 0.000 3.436 692 M HA 0.335 4.803 4.480 -0.020 0.000 0.240 692 M C -0.538 175.715 176.300 -0.078 0.000 1.469 692 M CA -0.069 55.175 55.300 -0.093 0.000 1.622 692 M CB -1.688 30.864 32.600 -0.081 0.000 1.098 692 M HN 0.719 nan 8.290 nan 0.000 0.568 693 D N -0.084 120.277 120.400 -0.065 0.000 2.601 693 D HA 0.677 5.305 4.640 -0.020 0.000 0.230 693 D C 0.748 177.032 176.300 -0.027 0.000 1.106 693 D CA 0.657 54.631 54.000 -0.043 0.000 0.873 693 D CB 1.788 42.563 40.800 -0.042 0.000 1.515 693 D HN 0.592 nan 8.370 nan 0.000 0.468 694 G N 1.568 110.361 108.800 -0.011 0.000 2.632 694 G HA2 -0.279 3.669 3.960 -0.020 0.000 0.322 694 G HA3 -0.279 3.669 3.960 -0.020 0.000 0.322 694 G C 1.062 175.961 174.900 -0.002 0.000 1.326 694 G CA 1.232 46.331 45.100 -0.002 0.000 0.986 694 G HN 1.018 nan 8.290 nan 0.000 0.541 695 A N -0.406 122.411 122.820 -0.006 0.000 2.209 695 A HA 0.064 4.372 4.320 -0.020 0.000 0.212 695 A C 2.125 179.657 177.584 -0.086 0.000 1.158 695 A CA 1.933 53.962 52.037 -0.012 0.000 0.742 695 A CB -0.449 18.538 19.000 -0.023 0.000 0.790 695 A HN 0.601 nan 8.150 nan 0.000 0.472 696 N N 0.336 118.993 118.700 -0.072 0.000 2.149 696 N HA -0.136 4.593 4.740 -0.020 0.000 0.188 696 N C 1.589 176.989 175.510 -0.184 0.000 1.019 696 N CA 1.493 54.496 53.050 -0.079 0.000 0.857 696 N CB -0.548 37.945 38.487 0.009 0.000 0.997 696 N HN 0.266 nan 8.380 nan 0.000 0.426 697 V N 1.290 121.136 119.914 -0.115 0.000 2.287 697 V HA -0.221 3.887 4.120 -0.020 0.000 0.248 697 V C 1.919 177.940 176.094 -0.122 0.000 1.053 697 V CA 1.700 63.929 62.300 -0.119 0.000 1.027 697 V CB -0.435 31.351 31.823 -0.063 0.000 0.646 697 V HN 0.366 nan 8.190 nan 0.000 0.447 698 E N -0.825 119.353 120.200 -0.037 0.000 2.216 698 E HA -0.115 4.223 4.350 -0.020 0.000 0.192 698 E C 2.198 178.884 176.600 0.143 0.000 0.988 698 E CA 0.923 57.369 56.400 0.077 0.000 0.834 698 E CB -0.138 29.694 29.700 0.220 0.000 0.772 698 E HN 0.554 nan 8.360 nan 0.000 0.479 699 M N 0.389 119.942 119.600 -0.079 0.000 2.099 699 M HA -0.116 4.353 4.480 -0.020 0.000 0.262 699 M C 2.519 178.542 176.300 -0.460 0.000 1.067 699 M CA 1.479 56.652 55.300 -0.212 0.000 1.124 699 M CB -0.195 32.166 32.600 -0.399 0.000 1.353 699 M HN 0.133 nan 8.290 nan 0.000 0.410 700 A N -0.157 122.091 122.820 -0.954 0.000 1.940 700 A HA -0.210 4.098 4.320 -0.020 0.000 0.219 700 A C 2.033 179.406 177.584 -0.352 0.000 1.176 700 A CA 1.781 53.241 52.037 -0.961 0.000 0.631 700 A CB -0.788 17.736 19.000 -0.793 0.000 0.814 700 A HN 0.526 nan 8.150 nan 0.000 0.446 701 E N -0.626 119.440 120.200 -0.222 0.000 2.110 701 E HA -0.190 4.148 4.350 -0.020 0.000 0.193 701 E C 1.851 178.420 176.600 -0.052 0.000 0.988 701 E CA 1.241 57.581 56.400 -0.101 0.000 0.804 701 E CB -0.019 29.646 29.700 -0.058 0.000 0.745 701 E HN 0.602 nan 8.360 nan 0.000 0.458 702 E N -0.388 119.808 120.200 -0.007 0.000 2.112 702 E HA -0.067 4.271 4.350 -0.020 0.000 0.190 702 E C 1.724 178.345 176.600 0.035 0.000 0.979 702 E CA 0.788 57.210 56.400 0.036 0.000 0.814 702 E CB 0.036 29.814 29.700 0.131 0.000 0.762 702 E HN 0.201 nan 8.360 nan 0.000 0.460 703 A N 0.564 123.403 122.820 0.032 0.000 2.132 703 A HA 0.360 4.668 4.320 -0.020 0.000 0.213 703 A C 1.029 178.626 177.584 0.022 0.000 1.154 703 A CA 0.973 53.046 52.037 0.059 0.000 0.753 703 A CB 0.103 19.194 19.000 0.151 0.000 0.826 703 A HN 0.222 nan 8.150 nan 0.000 0.469 704 G N -0.316 108.470 108.800 -0.023 0.000 3.209 704 G HA2 -0.094 3.854 3.960 -0.020 0.000 0.686 704 G HA3 -0.094 3.854 3.960 -0.020 0.000 0.686 704 G C -0.058 174.823 174.900 -0.031 0.000 1.065 704 G CA -0.025 45.058 45.100 -0.030 0.000 0.812 704 G HN 0.272 nan 8.290 nan 0.000 0.573 705 E N 0.597 120.766 120.200 -0.051 0.000 2.333 705 E HA -0.196 4.142 4.350 -0.020 0.000 0.200 705 E C 2.246 178.834 176.600 -0.019 0.000 1.010 705 E CA 1.300 57.680 56.400 -0.034 0.000 0.841 705 E CB 0.138 29.813 29.700 -0.041 0.000 0.757 705 E HN 0.794 nan 8.360 nan 0.000 0.508 706 E N 0.587 120.761 120.200 -0.043 0.000 2.427 706 E HA -0.104 4.234 4.350 -0.020 0.000 0.196 706 E C 0.770 177.282 176.600 -0.146 0.000 1.028 706 E CA 0.555 56.904 56.400 -0.085 0.000 0.864 706 E CB 0.034 29.697 29.700 -0.063 0.000 0.813 706 E HN 0.183 nan 8.360 nan 0.000 0.514 707 N N -0.150 118.499 118.700 -0.086 0.000 2.238 707 N HA 0.177 4.906 4.740 -0.020 0.000 0.222 707 N C -1.186 174.271 175.510 -0.089 0.000 1.133 707 N CA -0.013 52.965 53.050 -0.121 0.000 0.854 707 N CB 0.396 38.864 38.487 -0.031 0.000 1.041 707 N HN 0.055 nan 8.380 nan 0.000 0.510 708 F N -0.361 119.394 119.950 -0.325 0.000 2.565 708 F HA 0.398 4.912 4.527 -0.021 0.000 0.313 708 F C -0.619 174.985 175.800 -0.327 0.000 1.091 708 F CA -0.989 56.863 58.000 -0.246 0.000 0.915 708 F CB 1.587 40.521 39.000 -0.110 0.000 1.208 708 F HN -0.197 nan 8.300 nan 0.000 0.453 709 F N 5.523 125.435 119.950 -0.063 0.000 2.425 709 F HA 0.406 4.922 4.527 -0.019 0.000 0.354 709 F C -0.163 175.745 175.800 0.180 0.000 1.162 709 F CA -0.366 57.649 58.000 0.026 0.000 1.250 709 F CB 0.030 38.991 39.000 -0.066 0.000 1.579 709 F HN 0.096 nan 8.300 nan 0.000 0.589 710 I N 3.305 124.076 120.570 0.334 0.000 2.499 710 I HA 0.422 4.580 4.170 -0.020 0.000 0.296 710 I C -0.194 176.131 176.117 0.346 0.000 0.992 710 I CA -0.537 60.945 61.300 0.302 0.000 1.297 710 I CB 0.951 39.056 38.000 0.175 0.000 1.410 710 I HN 0.362 nan 8.210 nan 0.000 0.507 711 F N 2.694 122.706 119.950 0.104 0.000 2.831 711 F HA 0.853 5.368 4.527 -0.020 0.000 0.318 711 F C -0.046 175.792 175.800 0.063 0.000 1.174 711 F CA -0.469 57.582 58.000 0.086 0.000 0.918 711 F CB 0.541 39.604 39.000 0.105 0.000 1.364 711 F HN 0.823 nan 8.300 nan 0.000 0.475 712 G N 0.953 109.819 108.800 0.111 0.000 2.796 712 G HA2 -0.116 3.832 3.960 -0.020 0.000 0.226 712 G HA3 -0.116 3.832 3.960 -0.020 0.000 0.226 712 G C -0.715 174.149 174.900 -0.059 0.000 1.381 712 G CA -0.461 44.625 45.100 -0.023 0.000 0.867 712 G HN 0.970 nan 8.290 nan 0.000 0.552 713 M N -0.070 119.505 119.600 -0.042 0.000 2.252 713 M HA 0.360 4.828 4.480 -0.020 0.000 0.333 713 M C 1.013 177.275 176.300 -0.062 0.000 1.111 713 M CA 0.246 55.530 55.300 -0.026 0.000 1.140 713 M CB 0.471 33.064 32.600 -0.011 0.000 1.538 713 M HN 0.558 nan 8.290 nan 0.000 0.448 714 R N 0.659 121.137 120.500 -0.036 0.000 2.607 714 R HA 0.327 4.656 4.340 -0.020 0.000 0.261 714 R C 0.902 177.181 176.300 -0.034 0.000 1.051 714 R CA -0.494 55.580 56.100 -0.043 0.000 1.110 714 R CB 0.658 30.942 30.300 -0.028 0.000 1.158 714 R HN 0.573 nan 8.270 nan 0.000 0.543 715 V N 1.562 121.454 119.914 -0.035 0.000 2.324 715 V HA -0.294 3.814 4.120 -0.020 0.000 0.250 715 V C 1.379 177.461 176.094 -0.021 0.000 1.060 715 V CA 2.236 64.518 62.300 -0.029 0.000 1.042 715 V CB -0.479 31.325 31.823 -0.031 0.000 0.650 715 V HN 0.698 nan 8.190 nan 0.000 0.450 716 E N -0.014 120.176 120.200 -0.018 0.000 2.150 716 E HA -0.177 4.161 4.350 -0.020 0.000 0.193 716 E C 1.893 178.494 176.600 0.001 0.000 0.985 716 E CA 1.315 57.709 56.400 -0.010 0.000 0.814 716 E CB -0.349 29.346 29.700 -0.008 0.000 0.752 716 E HN 0.630 nan 8.360 nan 0.000 0.466 717 D N 0.269 120.671 120.400 0.004 0.000 2.144 717 D HA -0.093 4.535 4.640 -0.020 0.000 0.200 717 D C 2.011 178.323 176.300 0.020 0.000 0.978 717 D CA 0.888 54.900 54.000 0.020 0.000 0.833 717 D CB -0.054 40.761 40.800 0.026 0.000 0.961 717 D HN 0.071 nan 8.370 nan 0.000 0.470 718 V N 1.961 121.875 119.914 0.000 0.000 2.343 718 V HA -0.218 3.890 4.120 -0.020 0.000 0.247 718 V C 1.945 178.037 176.094 -0.004 0.000 1.051 718 V CA 1.691 63.984 62.300 -0.012 0.000 1.036 718 V CB -0.418 31.388 31.823 -0.028 0.000 0.654 718 V HN 0.030 nan 8.190 nan 0.000 0.451 719 D N -0.229 120.170 120.400 -0.003 0.000 2.117 719 D HA -0.138 4.491 4.640 -0.020 0.000 0.197 719 D C 2.403 178.712 176.300 0.015 0.000 0.987 719 D CA 1.170 55.170 54.000 -0.000 0.000 0.829 719 D CB -0.231 40.566 40.800 -0.006 0.000 0.961 719 D HN 0.375 nan 8.370 nan 0.000 0.460 720 R N 0.190 120.704 120.500 0.023 0.000 2.070 720 R HA -0.049 4.280 4.340 -0.020 0.000 0.232 720 R C 2.552 178.885 176.300 0.055 0.000 1.138 720 R CA 0.620 56.742 56.100 0.036 0.000 0.936 720 R CB -0.600 29.725 30.300 0.041 0.000 0.839 720 R HN 0.174 nan 8.270 nan 0.000 0.429 721 L N 0.913 122.179 121.223 0.072 0.000 2.043 721 L HA -0.284 4.045 4.340 -0.020 0.000 0.212 721 L C 1.735 178.667 176.870 0.104 0.000 1.075 721 L CA 1.519 56.428 54.840 0.115 0.000 0.752 721 L CB -0.406 41.733 42.059 0.134 0.000 0.891 721 L HN 0.291 nan 8.230 nan 0.000 0.432 722 D N -0.700 119.736 120.400 0.060 0.000 2.097 722 D HA -0.207 4.421 4.640 -0.020 0.000 0.195 722 D C 2.239 178.567 176.300 0.047 0.000 0.989 722 D CA 1.132 55.160 54.000 0.047 0.000 0.827 722 D CB -0.113 40.695 40.800 0.012 0.000 0.966 722 D HN 0.418 nan 8.370 nan 0.000 0.456 723 Q N -0.044 119.779 119.800 0.038 0.000 2.061 723 Q HA -0.200 4.128 4.340 -0.020 0.000 0.204 723 Q C 2.233 178.257 176.000 0.040 0.000 0.984 723 Q CA 1.781 57.603 55.803 0.032 0.000 0.846 723 Q CB -0.129 28.625 28.738 0.026 0.000 0.902 723 Q HN 0.327 nan 8.270 nan 0.000 0.421 724 R N -0.388 120.143 120.500 0.051 0.000 2.161 724 R HA 0.148 4.476 4.340 -0.020 0.000 0.213 724 R C 0.164 176.501 176.300 0.062 0.000 1.055 724 R CA 0.925 57.056 56.100 0.052 0.000 0.996 724 R CB 0.281 30.614 30.300 0.054 0.000 0.901 724 R HN 0.112 nan 8.270 nan 0.000 0.456 725 G N 0.274 109.125 108.800 0.086 0.000 3.363 725 G HA2 -0.206 3.742 3.960 -0.020 0.000 0.685 725 G HA3 -0.206 3.742 3.960 -0.020 0.000 0.685 725 G C -1.500 173.494 174.900 0.157 0.000 1.199 725 G CA -0.438 44.723 45.100 0.101 0.000 0.946 725 G HN 0.324 nan 8.290 nan 0.000 0.558 726 Y N 3.064 123.392 120.300 0.046 0.000 2.393 726 Y HA 0.558 5.096 4.550 -0.020 0.000 0.338 726 Y C 0.388 176.333 175.900 0.075 0.000 1.029 726 Y CA -0.422 57.721 58.100 0.073 0.000 1.239 726 Y CB 1.055 39.537 38.460 0.037 0.000 1.170 726 Y HN 0.591 nan 8.280 nan 0.000 0.515 727 N N 5.110 123.562 118.700 -0.413 0.000 2.682 727 N HA 0.252 4.981 4.740 -0.020 0.000 0.252 727 N C 0.174 175.430 175.510 -0.425 0.000 1.081 727 N CA 0.226 53.053 53.050 -0.371 0.000 0.844 727 N CB 1.115 39.522 38.487 -0.133 0.000 1.167 727 N HN 0.828 nan 8.380 nan 0.000 0.523 728 A N 2.456 124.883 122.820 -0.656 0.000 2.024 728 A HA -0.223 4.085 4.320 -0.020 0.000 0.220 728 A C 1.873 179.595 177.584 0.231 0.000 1.164 728 A CA 1.698 53.649 52.037 -0.143 0.000 0.643 728 A CB -0.396 18.473 19.000 -0.218 0.000 0.806 728 A HN 0.713 nan 8.150 nan 0.000 0.451 729 Q N 0.145 119.953 119.800 0.013 0.000 2.135 729 Q HA -0.228 4.100 4.340 -0.020 0.000 0.204 729 Q C 1.904 177.966 176.000 0.104 0.000 0.981 729 Q CA 2.173 58.005 55.803 0.049 0.000 0.856 729 Q CB -0.318 28.396 28.738 -0.040 0.000 0.902 729 Q HN 0.780 nan 8.270 nan 0.000 0.425 730 E N -1.251 118.957 120.200 0.014 0.000 2.058 730 E HA -0.244 4.094 4.350 -0.020 0.000 0.194 730 E C 1.504 178.021 176.600 -0.137 0.000 0.997 730 E CA 1.505 57.838 56.400 -0.111 0.000 0.801 730 E CB -0.214 29.325 29.700 -0.269 0.000 0.746 730 E HN 0.597 nan 8.360 nan 0.000 0.450 731 Y N -1.087 119.260 120.300 0.079 0.000 2.200 731 Y HA -0.195 4.343 4.550 -0.020 0.000 0.290 731 Y C 2.210 178.072 175.900 -0.064 0.000 1.137 731 Y CA 1.523 59.648 58.100 0.041 0.000 1.163 731 Y CB -0.658 37.869 38.460 0.112 0.000 0.988 731 Y HN 0.236 nan 8.280 nan 0.000 0.518 732 Y N 1.129 121.416 120.300 -0.022 0.000 2.224 732 Y HA -0.258 4.281 4.550 -0.020 0.000 0.289 732 Y C 1.806 177.655 175.900 -0.085 0.000 1.146 732 Y CA 1.749 59.764 58.100 -0.142 0.000 1.182 732 Y CB -0.255 38.174 38.460 -0.051 0.000 0.983 732 Y HN 0.063 nan 8.280 nan 0.000 0.524 733 D N -0.193 120.282 120.400 0.124 0.000 2.149 733 D HA -0.080 4.548 4.640 -0.020 0.000 0.201 733 D C 2.050 178.315 176.300 -0.059 0.000 0.972 733 D CA 1.141 55.164 54.000 0.039 0.000 0.835 733 D CB -0.098 40.743 40.800 0.068 0.000 0.966 733 D HN 0.320 nan 8.370 nan 0.000 0.476 734 R N -0.466 119.997 120.500 -0.061 0.000 2.246 734 R HA 0.268 4.596 4.340 -0.020 0.000 0.199 734 R C 0.303 176.570 176.300 -0.055 0.000 0.984 734 R CA 0.252 56.316 56.100 -0.060 0.000 1.015 734 R CB 0.551 30.811 30.300 -0.067 0.000 0.930 734 R HN 0.104 nan 8.270 nan 0.000 0.475 735 I N 1.089 121.606 120.570 -0.087 0.000 2.405 735 I HA 0.238 4.396 4.170 -0.020 0.000 0.280 735 I C -1.928 174.090 176.117 -0.164 0.000 1.027 735 I CA -2.411 58.845 61.300 -0.073 0.000 1.161 735 I CB 2.095 40.095 38.000 -0.000 0.000 1.300 735 I HN -0.196 nan 8.210 nan 0.000 0.463 736 P HA -0.196 nan 4.420 nan 0.000 0.215 736 P C 1.177 178.384 177.300 -0.154 0.000 1.157 736 P CA 1.486 64.496 63.100 -0.151 0.000 0.874 736 P CB 0.260 31.904 31.700 -0.093 0.000 0.790 737 E N -1.083 119.069 120.200 -0.081 0.000 2.160 737 E HA -0.185 4.153 4.350 -0.020 0.000 0.195 737 E C 1.871 178.388 176.600 -0.138 0.000 0.991 737 E CA 0.753 57.124 56.400 -0.048 0.000 0.810 737 E CB -0.611 29.134 29.700 0.076 0.000 0.742 737 E HN 0.119 nan 8.360 nan 0.000 0.466 738 L N 1.107 122.164 121.223 -0.277 0.000 2.109 738 L HA -0.097 4.231 4.340 -0.020 0.000 0.207 738 L C 2.153 178.768 176.870 -0.426 0.000 1.086 738 L CA 1.505 56.028 54.840 -0.528 0.000 0.760 738 L CB -0.189 41.419 42.059 -0.753 0.000 0.910 738 L HN -0.076 nan 8.230 nan 0.000 0.437 739 R N -0.777 119.433 120.500 -0.483 0.000 2.070 739 R HA -0.229 4.099 4.340 -0.020 0.000 0.233 739 R C 2.256 178.408 176.300 -0.247 0.000 1.137 739 R CA 1.918 57.649 56.100 -0.614 0.000 0.945 739 R CB -0.461 29.425 30.300 -0.689 0.000 0.845 739 R HN 0.557 nan 8.270 nan 0.000 0.430 740 Q N 0.799 120.484 119.800 -0.192 0.000 2.112 740 Q HA -0.191 4.137 4.340 -0.020 0.000 0.206 740 Q C 2.037 177.999 176.000 -0.063 0.000 0.987 740 Q CA 1.596 57.331 55.803 -0.114 0.000 0.858 740 Q CB -0.096 28.573 28.738 -0.114 0.000 0.905 740 Q HN 0.377 nan 8.270 nan 0.000 0.420 741 I N 0.482 121.016 120.570 -0.059 0.000 2.142 741 I HA -0.283 3.875 4.170 -0.020 0.000 0.240 741 I C 2.149 178.313 176.117 0.078 0.000 1.078 741 I CA 0.701 62.011 61.300 0.017 0.000 1.343 741 I CB -0.296 37.687 38.000 -0.028 0.000 1.046 741 I HN 0.313 nan 8.210 nan 0.000 0.405 742 I N 0.781 121.397 120.570 0.077 0.000 2.208 742 I HA -0.269 3.889 4.170 -0.020 0.000 0.245 742 I C 2.418 178.650 176.117 0.192 0.000 1.097 742 I CA 1.706 63.118 61.300 0.187 0.000 1.363 742 I CB -1.338 36.863 38.000 0.334 0.000 1.051 742 I HN 0.341 nan 8.210 nan 0.000 0.413 743 E N 0.376 120.666 120.200 0.151 0.000 2.077 743 E HA -0.242 4.096 4.350 -0.020 0.000 0.193 743 E C 2.229 178.900 176.600 0.119 0.000 0.989 743 E CA 1.038 57.514 56.400 0.127 0.000 0.800 743 E CB -0.090 29.650 29.700 0.067 0.000 0.746 743 E HN 0.546 nan 8.360 nan 0.000 0.452 744 Q N 0.272 120.129 119.800 0.095 0.000 2.084 744 Q HA -0.150 4.178 4.340 -0.020 0.000 0.202 744 Q C 2.313 178.514 176.000 0.335 0.000 0.978 744 Q CA 1.006 56.883 55.803 0.124 0.000 0.844 744 Q CB -0.031 28.726 28.738 0.031 0.000 0.898 744 Q HN 0.311 nan 8.270 nan 0.000 0.426 745 L N -0.013 121.413 121.223 0.339 0.000 2.046 745 L HA -0.189 4.139 4.340 -0.020 0.000 0.208 745 L C 2.339 179.407 176.870 0.330 0.000 1.077 745 L CA 1.155 56.213 54.840 0.363 0.000 0.747 745 L CB -0.274 41.921 42.059 0.226 0.000 0.896 745 L HN 0.180 nan 8.230 nan 0.000 0.432 746 S N -1.191 114.657 115.700 0.247 0.000 2.406 746 S HA -0.087 4.371 4.470 -0.020 0.000 0.228 746 S C 1.981 176.690 174.600 0.183 0.000 1.020 746 S CA 1.029 59.352 58.200 0.204 0.000 0.965 746 S CB -0.021 63.277 63.200 0.163 0.000 0.798 746 S HN 0.311 nan 8.310 nan 0.000 0.488 747 S N 0.478 116.290 115.700 0.186 0.000 2.522 747 S HA 0.293 4.752 4.470 -0.020 0.000 0.227 747 S C 1.551 176.254 174.600 0.171 0.000 0.986 747 S CA 0.578 58.873 58.200 0.158 0.000 0.929 747 S CB -0.122 63.164 63.200 0.145 0.000 0.769 747 S HN 0.795 nan 8.310 nan 0.000 0.529 748 G N 0.805 109.739 108.800 0.224 0.000 2.132 748 G HA2 -0.294 3.655 3.960 -0.020 0.000 0.228 748 G HA3 -0.294 3.655 3.960 -0.020 0.000 0.228 748 G C 0.443 175.452 174.900 0.183 0.000 1.000 748 G CA 0.170 45.389 45.100 0.199 0.000 0.693 748 G HN 0.485 nan 8.290 nan 0.000 0.515 749 F N 0.340 120.323 119.950 0.055 0.000 2.161 749 F HA 0.191 4.706 4.527 -0.020 0.000 0.300 749 F C 1.860 177.513 175.800 -0.246 0.000 1.089 749 F CA 1.879 59.802 58.000 -0.128 0.000 1.282 749 F CB -0.093 38.766 39.000 -0.236 0.000 1.010 749 F HN 0.165 nan 8.300 nan 0.000 0.485 750 F N -0.307 119.726 119.950 0.139 0.000 2.727 750 F HA 0.188 4.703 4.527 -0.020 0.000 0.302 750 F C 0.866 176.751 175.800 0.142 0.000 1.097 750 F CA 0.368 58.404 58.000 0.060 0.000 1.330 750 F CB -0.156 38.922 39.000 0.130 0.000 1.084 750 F HN 0.001 nan 8.300 nan 0.000 0.578 751 S N -2.235 113.605 115.700 0.234 0.000 2.539 751 S HA 0.294 4.753 4.470 -0.020 0.000 0.185 751 S C -2.269 172.355 174.600 0.039 0.000 1.181 751 S CA -1.015 57.260 58.200 0.124 0.000 1.216 751 S CB 0.468 63.701 63.200 0.055 0.000 1.476 751 S HN -0.158 nan 8.310 nan 0.000 0.395 752 P HA -0.233 nan 4.420 nan 0.000 0.218 752 P C 1.425 178.723 177.300 -0.003 0.000 1.165 752 P CA 1.505 64.593 63.100 -0.020 0.000 0.922 752 P CB 0.138 31.804 31.700 -0.058 0.000 0.794 753 K N -0.983 119.414 120.400 -0.005 0.000 2.283 753 K HA -0.103 4.205 4.320 -0.020 0.000 0.202 753 K C 0.533 177.135 176.600 0.003 0.000 1.048 753 K CA 0.979 57.266 56.287 -0.000 0.000 0.948 753 K CB 0.030 32.531 32.500 0.001 0.000 0.742 753 K HN 0.324 nan 8.250 nan 0.000 0.458 754 Q N -0.213 119.587 119.800 -0.001 0.000 2.907 754 Q HA 0.154 4.482 4.340 -0.020 0.000 0.262 754 Q C -2.291 173.707 176.000 -0.003 0.000 0.997 754 Q CA -1.771 54.028 55.803 -0.008 0.000 0.797 754 Q CB 1.625 30.347 28.738 -0.028 0.000 1.228 754 Q HN -0.003 nan 8.270 nan 0.000 0.466 755 P HA -0.250 nan 4.420 nan 0.000 0.217 755 P C 0.583 177.924 177.300 0.069 0.000 1.158 755 P CA 1.710 64.843 63.100 0.055 0.000 0.887 755 P CB 0.137 31.869 31.700 0.053 0.000 0.792 756 D N -1.335 119.090 120.400 0.042 0.000 2.491 756 D HA 0.009 4.638 4.640 -0.020 0.000 0.228 756 D C 1.389 177.692 176.300 0.005 0.000 1.183 756 D CA -0.406 53.626 54.000 0.054 0.000 0.827 756 D CB -0.790 40.044 40.800 0.056 0.000 0.989 756 D HN 0.028 nan 8.370 nan 0.000 0.494 757 L N -0.391 120.768 121.223 -0.106 0.000 2.131 757 L HA 0.030 4.359 4.340 -0.020 0.000 0.210 757 L C 0.779 177.441 176.870 -0.347 0.000 1.092 757 L CA 1.589 56.255 54.840 -0.289 0.000 0.759 757 L CB -0.510 41.211 42.059 -0.563 0.000 0.903 757 L HN -0.048 nan 8.230 nan 0.000 0.435 758 F N -0.799 119.210 119.950 0.098 0.000 2.668 758 F HA 0.251 4.766 4.527 -0.019 0.000 0.297 758 F C 1.814 177.671 175.800 0.096 0.000 1.124 758 F CA -0.354 57.694 58.000 0.081 0.000 1.353 758 F CB -0.631 38.404 39.000 0.059 0.000 0.992 758 F HN -0.068 nan 8.300 nan 0.000 0.524 759 K N 0.368 120.890 120.400 0.204 0.000 2.152 759 K HA -0.170 4.138 4.320 -0.020 0.000 0.206 759 K C 1.140 177.848 176.600 0.179 0.000 1.048 759 K CA 1.450 57.841 56.287 0.174 0.000 0.933 759 K CB -0.088 32.487 32.500 0.124 0.000 0.721 759 K HN 0.267 nan 8.250 nan 0.000 0.447 760 D N 0.790 121.306 120.400 0.193 0.000 2.117 760 D HA -0.090 4.539 4.640 -0.020 0.000 0.198 760 D C 1.969 178.382 176.300 0.188 0.000 0.982 760 D CA 0.830 54.949 54.000 0.199 0.000 0.828 760 D CB -0.146 40.806 40.800 0.253 0.000 0.967 760 D HN 0.184 nan 8.370 nan 0.000 0.464 761 I N 0.387 121.071 120.570 0.189 0.000 2.202 761 I HA -0.219 3.939 4.170 -0.020 0.000 0.242 761 I C 2.435 178.623 176.117 0.118 0.000 1.091 761 I CA 0.592 61.974 61.300 0.136 0.000 1.368 761 I CB -0.177 37.890 38.000 0.112 0.000 1.058 761 I HN -0.120 nan 8.210 nan 0.000 0.410 762 V N 1.132 121.135 119.914 0.148 0.000 2.287 762 V HA -0.326 3.782 4.120 -0.020 0.000 0.248 762 V C 2.217 178.379 176.094 0.114 0.000 1.053 762 V CA 2.477 64.858 62.300 0.136 0.000 1.027 762 V CB -0.945 30.977 31.823 0.164 0.000 0.646 762 V HN 0.477 nan 8.190 nan 0.000 0.447 763 N N -0.394 118.401 118.700 0.158 0.000 2.104 763 N HA -0.210 4.518 4.740 -0.020 0.000 0.190 763 N C 1.835 177.474 175.510 0.215 0.000 1.024 763 N CA 1.693 54.874 53.050 0.219 0.000 0.853 763 N CB -0.243 38.386 38.487 0.237 0.000 1.008 763 N HN 0.333 nan 8.380 nan 0.000 0.424 764 M N 0.161 119.870 119.600 0.182 0.000 2.086 764 M HA -0.106 4.362 4.480 -0.020 0.000 0.261 764 M C 1.718 178.034 176.300 0.027 0.000 1.067 764 M CA 1.370 56.773 55.300 0.172 0.000 1.116 764 M CB -0.616 32.078 32.600 0.158 0.000 1.348 764 M HN 0.268 nan 8.290 nan 0.000 0.407 765 L N -0.193 120.987 121.223 -0.073 0.000 2.083 765 L HA -0.264 4.064 4.340 -0.020 0.000 0.209 765 L C 2.572 179.151 176.870 -0.484 0.000 1.083 765 L CA 0.979 55.618 54.840 -0.335 0.000 0.752 765 L CB -0.557 41.285 42.059 -0.362 0.000 0.899 765 L HN 0.332 nan 8.230 nan 0.000 0.433 766 M N -1.436 117.977 119.600 -0.313 0.000 2.236 766 M HA -0.093 4.375 4.480 -0.020 0.000 0.266 766 M C 1.709 177.579 176.300 -0.718 0.000 1.070 766 M CA 1.856 56.869 55.300 -0.478 0.000 1.137 766 M CB -0.836 31.429 32.600 -0.558 0.000 1.378 766 M HN 0.306 nan 8.290 nan 0.000 0.426 767 H N -2.545 116.384 119.070 -0.234 0.000 3.255 767 H HA 0.217 4.761 4.556 -0.020 0.000 0.256 767 H C 0.138 175.023 175.328 -0.739 0.000 1.049 767 H CA 0.194 55.945 56.048 -0.496 0.000 1.202 767 H CB 0.617 29.993 29.762 -0.643 0.000 1.497 767 H HN 0.312 nan 8.280 nan 0.000 0.503 768 H N 0.026 119.156 119.070 0.100 0.000 2.779 768 H HA 0.141 4.685 4.556 -0.020 0.000 0.230 768 H C -0.731 174.626 175.328 0.049 0.000 1.365 768 H CA -0.269 55.827 56.048 0.080 0.000 1.086 768 H CB 0.599 30.413 29.762 0.087 0.000 2.038 768 H HN 0.196 nan 8.280 nan 0.000 0.558 769 D N 1.278 121.738 120.400 0.100 0.000 2.411 769 D HA 0.119 4.747 4.640 -0.020 0.000 0.225 769 D C 1.131 177.384 176.300 -0.079 0.000 1.156 769 D CA -0.335 53.692 54.000 0.046 0.000 0.874 769 D CB 0.616 41.434 40.800 0.030 0.000 1.034 769 D HN 0.237 nan 8.370 nan 0.000 0.502 770 R N 2.305 122.641 120.500 -0.273 0.000 2.280 770 R HA 0.013 4.341 4.340 -0.020 0.000 0.207 770 R C 0.521 176.303 176.300 -0.863 0.000 1.043 770 R CA 0.725 56.455 56.100 -0.617 0.000 1.006 770 R CB 0.174 29.918 30.300 -0.928 0.000 0.885 770 R HN 0.383 nan 8.270 nan 0.000 0.467 771 F N 0.617 120.520 119.950 -0.078 0.000 2.668 771 F HA 0.269 4.784 4.527 -0.020 0.000 0.301 771 F C -0.053 175.617 175.800 -0.215 0.000 1.106 771 F CA -0.874 57.064 58.000 -0.104 0.000 1.289 771 F CB 0.111 39.106 39.000 -0.008 0.000 1.006 771 F HN -0.257 nan 8.300 nan 0.000 0.535 772 K N -0.322 119.870 120.400 -0.346 0.000 3.540 772 K HA -0.193 4.116 4.320 -0.020 0.000 0.274 772 K C 1.013 177.483 176.600 -0.217 0.000 0.890 772 K CA 0.199 56.112 56.287 -0.624 0.000 0.701 772 K CB -1.766 30.242 32.500 -0.821 0.000 1.523 772 K HN 0.238 nan 8.250 nan 0.000 0.450 773 V N 0.091 119.959 119.914 -0.078 0.000 2.255 773 V HA -0.293 3.816 4.120 -0.020 0.000 0.247 773 V C 2.040 178.249 176.094 0.193 0.000 1.051 773 V CA 2.105 64.432 62.300 0.046 0.000 1.018 773 V CB -0.493 31.356 31.823 0.043 0.000 0.641 773 V HN 0.451 nan 8.190 nan 0.000 0.445 774 F N 0.841 120.792 119.950 0.001 0.000 2.202 774 F HA -0.157 4.358 4.527 -0.020 0.000 0.301 774 F C 2.464 178.037 175.800 -0.378 0.000 1.082 774 F CA 0.980 58.925 58.000 -0.091 0.000 1.313 774 F CB -1.513 37.455 39.000 -0.054 0.000 1.024 774 F HN 0.175 nan 8.300 nan 0.000 0.495 775 A N -0.754 121.882 122.820 -0.305 0.000 2.070 775 A HA -0.151 4.158 4.320 -0.020 0.000 0.220 775 A C 1.649 179.218 177.584 -0.024 0.000 1.159 775 A CA 1.850 53.624 52.037 -0.438 0.000 0.656 775 A CB -0.467 18.417 19.000 -0.193 0.000 0.800 775 A HN 0.218 nan 8.150 nan 0.000 0.453 776 D N -2.915 117.534 120.400 0.081 0.000 2.398 776 D HA 0.103 4.731 4.640 -0.020 0.000 0.210 776 D C 1.101 177.571 176.300 0.283 0.000 1.094 776 D CA -0.107 54.016 54.000 0.206 0.000 0.839 776 D CB -0.080 40.842 40.800 0.204 0.000 0.963 776 D HN 0.517 nan 8.370 nan 0.000 0.506 777 Y N 2.146 122.534 120.300 0.146 0.000 2.070 777 Y HA -0.258 4.281 4.550 -0.019 0.000 0.280 777 Y C 2.267 178.260 175.900 0.154 0.000 1.148 777 Y CA 2.249 60.450 58.100 0.168 0.000 1.125 777 Y CB 0.008 38.540 38.460 0.119 0.000 0.975 777 Y HN -0.075 nan 8.280 nan 0.000 0.492 778 E N -0.258 120.006 120.200 0.107 0.000 2.058 778 E HA -0.248 4.090 4.350 -0.020 0.000 0.194 778 E C 2.101 178.670 176.600 -0.052 0.000 0.997 778 E CA 1.720 58.108 56.400 -0.019 0.000 0.801 778 E CB -0.109 29.684 29.700 0.155 0.000 0.746 778 E HN 0.464 nan 8.360 nan 0.000 0.450 779 E N -0.270 119.977 120.200 0.078 0.000 2.106 779 E HA -0.188 4.150 4.350 -0.020 0.000 0.192 779 E C 1.813 178.399 176.600 -0.023 0.000 0.984 779 E CA 0.785 57.251 56.400 0.111 0.000 0.806 779 E CB -0.474 29.393 29.700 0.278 0.000 0.750 779 E HN 0.424 nan 8.360 nan 0.000 0.458 780 Y N 1.596 121.711 120.300 -0.309 0.000 2.114 780 Y HA -0.223 4.316 4.550 -0.020 0.000 0.284 780 Y C 2.275 177.770 175.900 -0.676 0.000 1.143 780 Y CA 1.116 58.702 58.100 -0.858 0.000 1.135 780 Y CB -0.555 37.512 38.460 -0.654 0.000 0.980 780 Y HN -0.192 nan 8.280 nan 0.000 0.499 781 V N 0.821 120.375 119.914 -0.600 0.000 2.295 781 V HA -0.332 3.776 4.120 -0.020 0.000 0.246 781 V C 2.335 178.190 176.094 -0.398 0.000 1.049 781 V CA 2.372 64.327 62.300 -0.574 0.000 1.024 781 V CB -0.666 30.867 31.823 -0.482 0.000 0.648 781 V HN 0.325 nan 8.190 nan 0.000 0.447 782 K N -0.800 119.438 120.400 -0.270 0.000 2.063 782 K HA -0.239 4.070 4.320 -0.020 0.000 0.208 782 K C 2.313 178.815 176.600 -0.163 0.000 1.048 782 K CA 1.810 58.003 56.287 -0.156 0.000 0.928 782 K CB -0.662 31.793 32.500 -0.074 0.000 0.713 782 K HN 0.524 nan 8.250 nan 0.000 0.442 783 C N 1.496 120.668 119.300 -0.213 0.000 2.429 783 C HA -0.103 4.345 4.460 -0.020 0.000 0.277 783 C C 2.706 177.504 174.990 -0.319 0.000 1.262 783 C CA 0.839 59.755 59.018 -0.171 0.000 1.733 783 C CB -0.670 26.961 27.740 -0.182 0.000 2.010 783 C HN 0.435 nan 8.230 nan 0.000 0.483 784 Q N 0.328 119.794 119.800 -0.557 0.000 2.170 784 Q HA -0.183 4.145 4.340 -0.020 0.000 0.203 784 Q C 1.958 177.753 176.000 -0.341 0.000 0.976 784 Q CA 1.588 57.026 55.803 -0.608 0.000 0.858 784 Q CB -0.397 27.746 28.738 -0.993 0.000 0.907 784 Q HN 0.751 nan 8.270 nan 0.000 0.433 785 E N 0.121 120.178 120.200 -0.238 0.000 2.106 785 E HA -0.135 4.203 4.350 -0.020 0.000 0.192 785 E C 2.042 178.597 176.600 -0.075 0.000 0.984 785 E CA 0.640 56.965 56.400 -0.125 0.000 0.806 785 E CB 0.087 29.734 29.700 -0.089 0.000 0.750 785 E HN 0.267 nan 8.360 nan 0.000 0.458 786 R N 0.111 120.580 120.500 -0.052 0.000 2.115 786 R HA -0.071 4.257 4.340 -0.020 0.000 0.230 786 R C 2.350 178.669 176.300 0.031 0.000 1.111 786 R CA 0.772 56.916 56.100 0.073 0.000 0.976 786 R CB -0.255 30.171 30.300 0.210 0.000 0.870 786 R HN 0.049 nan 8.270 nan 0.000 0.445 787 V N 0.543 120.265 119.914 -0.320 0.000 2.295 787 V HA -0.251 3.858 4.120 -0.020 0.000 0.246 787 V C 2.191 178.255 176.094 -0.051 0.000 1.049 787 V CA 1.965 63.953 62.300 -0.520 0.000 1.024 787 V CB -0.344 31.067 31.823 -0.686 0.000 0.648 787 V HN 0.283 nan 8.190 nan 0.000 0.447 788 S N -0.266 115.377 115.700 -0.095 0.000 2.383 788 S HA -0.196 4.262 4.470 -0.020 0.000 0.229 788 S C 2.164 176.811 174.600 0.079 0.000 1.030 788 S CA 1.439 59.619 58.200 -0.033 0.000 1.002 788 S CB -0.438 62.718 63.200 -0.073 0.000 0.829 788 S HN 0.657 nan 8.310 nan 0.000 0.467 789 A N 0.994 123.869 122.820 0.091 0.000 1.877 789 A HA -0.046 4.262 4.320 -0.020 0.000 0.216 789 A C 2.094 179.792 177.584 0.190 0.000 1.186 789 A CA 1.378 53.492 52.037 0.127 0.000 0.620 789 A CB -0.674 18.393 19.000 0.112 0.000 0.822 789 A HN 0.445 nan 8.150 nan 0.000 0.443 790 L N -2.011 119.386 121.223 0.289 0.000 2.141 790 L HA -0.072 4.256 4.340 -0.020 0.000 0.209 790 L C 2.224 179.383 176.870 0.482 0.000 1.094 790 L CA 1.833 56.919 54.840 0.409 0.000 0.763 790 L CB -0.723 41.679 42.059 0.572 0.000 0.908 790 L HN 0.499 nan 8.230 nan 0.000 0.437 791 Y N 0.209 120.649 120.300 0.233 0.000 2.352 791 Y HA -0.193 4.345 4.550 -0.018 0.000 0.292 791 Y C 2.325 178.156 175.900 -0.115 0.000 1.136 791 Y CA 1.504 59.469 58.100 -0.225 0.000 1.227 791 Y CB -0.093 37.997 38.460 -0.617 0.000 0.991 791 Y HN 0.153 nan 8.280 nan 0.000 0.545 792 K N 0.265 120.707 120.400 0.070 0.000 2.360 792 K HA -0.170 4.138 4.320 -0.020 0.000 0.201 792 K C 0.250 176.836 176.600 -0.024 0.000 1.046 792 K CA 0.957 57.267 56.287 0.038 0.000 0.945 792 K CB -0.290 32.275 32.500 0.109 0.000 0.750 792 K HN 0.329 nan 8.250 nan 0.000 0.464 793 N N 0.496 119.198 118.700 0.003 0.000 2.898 793 N HA 0.109 4.837 4.740 -0.020 0.000 0.245 793 N C -2.390 173.123 175.510 0.005 0.000 1.185 793 N CA -1.837 51.219 53.050 0.010 0.000 0.879 793 N CB 1.116 39.640 38.487 0.062 0.000 1.157 793 N HN -0.232 nan 8.380 nan 0.000 0.503 794 P HA -0.274 nan 4.420 nan 0.000 0.219 794 P C 1.309 178.624 177.300 0.026 0.000 1.161 794 P CA 1.265 64.302 63.100 -0.105 0.000 0.909 794 P CB 0.186 31.794 31.700 -0.154 0.000 0.793 795 R N -0.578 119.933 120.500 0.018 0.000 2.096 795 R HA -0.143 4.186 4.340 -0.020 0.000 0.235 795 R C 1.974 178.313 176.300 0.065 0.000 1.127 795 R CA 1.302 57.423 56.100 0.036 0.000 0.968 795 R CB -0.527 29.785 30.300 0.020 0.000 0.861 795 R HN 0.229 nan 8.270 nan 0.000 0.440 796 E N -0.588 119.662 120.200 0.083 0.000 2.158 796 E HA -0.171 4.168 4.350 -0.020 0.000 0.191 796 E C 1.557 178.231 176.600 0.123 0.000 0.982 796 E CA 0.369 56.820 56.400 0.086 0.000 0.823 796 E CB -0.305 29.445 29.700 0.083 0.000 0.766 796 E HN 0.448 nan 8.360 nan 0.000 0.468 797 W N 2.003 123.301 121.300 -0.003 0.000 2.378 797 W HA -0.156 4.491 4.660 -0.021 0.000 0.313 797 W C 1.517 178.043 176.519 0.012 0.000 1.197 797 W CA 1.973 59.333 57.345 0.024 0.000 1.304 797 W CB -0.469 28.980 29.460 -0.019 0.000 1.148 797 W HN 0.006 nan 8.180 nan 0.000 0.494 798 T N 1.410 116.105 114.554 0.235 0.000 2.881 798 T HA -0.157 4.181 4.350 -0.020 0.000 0.270 798 T C 1.841 176.543 174.700 0.003 0.000 1.068 798 T CA 1.366 63.530 62.100 0.107 0.000 1.131 798 T CB -0.254 68.660 68.868 0.078 0.000 0.871 798 T HN 0.171 nan 8.240 nan 0.000 0.479 799 R N 0.240 120.747 120.500 0.012 0.000 2.115 799 R HA 0.186 4.514 4.340 -0.020 0.000 0.226 799 R C 2.428 178.712 176.300 -0.027 0.000 1.100 799 R CA 0.772 56.878 56.100 0.011 0.000 0.980 799 R CB -0.296 30.019 30.300 0.026 0.000 0.875 799 R HN 0.394 nan 8.270 nan 0.000 0.445 800 M N 0.535 120.081 119.600 -0.091 0.000 2.200 800 M HA -0.109 4.360 4.480 -0.020 0.000 0.265 800 M C 1.969 178.179 176.300 -0.151 0.000 1.066 800 M CA 1.230 56.444 55.300 -0.142 0.000 1.127 800 M CB 0.193 32.649 32.600 -0.239 0.000 1.379 800 M HN -0.076 nan 8.290 nan 0.000 0.420 801 V N 1.026 120.822 119.914 -0.197 0.000 2.287 801 V HA -0.323 3.785 4.120 -0.020 0.000 0.248 801 V C 2.223 178.292 176.094 -0.042 0.000 1.053 801 V CA 2.054 64.269 62.300 -0.142 0.000 1.027 801 V CB -0.597 31.162 31.823 -0.107 0.000 0.646 801 V HN 0.508 nan 8.190 nan 0.000 0.447 802 I N -0.523 120.040 120.570 -0.012 0.000 2.264 802 I HA -0.246 3.912 4.170 -0.020 0.000 0.248 802 I C 2.630 178.792 176.117 0.075 0.000 1.111 802 I CA 1.471 62.810 61.300 0.064 0.000 1.382 802 I CB -0.412 37.668 38.000 0.134 0.000 1.060 802 I HN 0.252 nan 8.210 nan 0.000 0.418 803 R N 0.354 120.877 120.500 0.039 0.000 2.189 803 R HA -0.077 4.251 4.340 -0.020 0.000 0.223 803 R C 1.857 178.189 176.300 0.053 0.000 1.092 803 R CA 0.832 56.957 56.100 0.041 0.000 0.989 803 R CB -0.380 29.929 30.300 0.014 0.000 0.876 803 R HN 0.535 nan 8.270 nan 0.000 0.457 804 N N 0.896 119.621 118.700 0.043 0.000 2.176 804 N HA -0.011 4.717 4.740 -0.020 0.000 0.187 804 N C 1.992 177.558 175.510 0.094 0.000 1.043 804 N CA 0.859 53.956 53.050 0.078 0.000 0.851 804 N CB -0.001 38.509 38.487 0.038 0.000 1.018 804 N HN 0.058 nan 8.380 nan 0.000 0.436 805 I N 1.829 122.442 120.570 0.071 0.000 2.236 805 I HA -0.280 3.878 4.170 -0.020 0.000 0.249 805 I C 2.327 178.492 176.117 0.080 0.000 1.102 805 I CA 1.105 62.450 61.300 0.076 0.000 1.365 805 I CB -0.285 37.750 38.000 0.059 0.000 1.051 805 I HN 0.122 nan 8.210 nan 0.000 0.420 806 A N 0.096 122.964 122.820 0.080 0.000 2.067 806 A HA -0.131 4.177 4.320 -0.020 0.000 0.219 806 A C 2.015 179.638 177.584 0.066 0.000 1.158 806 A CA 1.876 53.953 52.037 0.067 0.000 0.661 806 A CB -0.733 18.312 19.000 0.076 0.000 0.801 806 A HN 0.534 nan 8.150 nan 0.000 0.452 807 T N -3.012 111.596 114.554 0.090 0.000 3.174 807 T HA 0.175 4.513 4.350 -0.020 0.000 0.269 807 T C 1.148 175.942 174.700 0.157 0.000 1.017 807 T CA 0.587 62.743 62.100 0.094 0.000 0.899 807 T CB -0.170 68.751 68.868 0.088 0.000 1.077 807 T HN 0.440 nan 8.240 nan 0.000 0.552 808 S N 0.359 116.172 115.700 0.189 0.000 2.562 808 S HA 0.214 4.672 4.470 -0.020 0.000 0.221 808 S C 2.268 177.009 174.600 0.235 0.000 0.975 808 S CA 0.324 58.720 58.200 0.327 0.000 0.918 808 S CB -0.731 62.624 63.200 0.258 0.000 0.772 808 S HN 0.538 nan 8.310 nan 0.000 0.531 809 G N 2.774 111.630 108.800 0.094 0.000 2.503 809 G HA2 -0.329 3.619 3.960 -0.020 0.000 0.221 809 G HA3 -0.329 3.619 3.960 -0.020 0.000 0.221 809 G C 1.321 176.178 174.900 -0.073 0.000 1.131 809 G CA 1.145 46.263 45.100 0.030 0.000 0.756 809 G HN 0.597 nan 8.290 nan 0.000 0.572 810 K N -0.108 120.134 120.400 -0.264 0.000 2.360 810 K HA -0.004 4.304 4.320 -0.020 0.000 0.201 810 K C 0.965 177.216 176.600 -0.582 0.000 1.046 810 K CA 0.518 56.505 56.287 -0.500 0.000 0.945 810 K CB -0.227 31.818 32.500 -0.758 0.000 0.750 810 K HN 0.420 nan 8.250 nan 0.000 0.464 811 F N 1.016 120.992 119.950 0.043 0.000 2.663 811 F HA 0.128 4.643 4.527 -0.020 0.000 0.299 811 F C 0.709 176.552 175.800 0.071 0.000 1.143 811 F CA -0.631 57.401 58.000 0.055 0.000 1.387 811 F CB 0.412 39.442 39.000 0.049 0.000 1.019 811 F HN -0.117 nan 8.300 nan 0.000 0.523 812 S N 0.028 115.805 115.700 0.130 0.000 2.537 812 S HA 0.134 4.593 4.470 -0.020 0.000 0.275 812 S C 1.396 176.070 174.600 0.124 0.000 1.272 812 S CA -0.264 58.013 58.200 0.127 0.000 1.050 812 S CB 1.126 64.372 63.200 0.077 0.000 0.961 812 S HN 0.303 nan 8.310 nan 0.000 0.496 813 S N 3.207 119.005 115.700 0.163 0.000 2.442 813 S HA -0.114 4.344 4.470 -0.020 0.000 0.236 813 S C 1.000 175.637 174.600 0.062 0.000 1.007 813 S CA 1.001 59.311 58.200 0.184 0.000 0.965 813 S CB -0.510 62.865 63.200 0.292 0.000 0.773 813 S HN 0.817 nan 8.310 nan 0.000 0.504 814 D N 1.579 122.007 120.400 0.046 0.000 2.144 814 D HA -0.082 4.546 4.640 -0.020 0.000 0.199 814 D C 2.071 178.366 176.300 -0.009 0.000 0.984 814 D CA 0.758 54.765 54.000 0.010 0.000 0.834 814 D CB -0.300 40.507 40.800 0.012 0.000 0.955 814 D HN 0.297 nan 8.370 nan 0.000 0.465 815 R N 0.702 121.200 120.500 -0.003 0.000 2.062 815 R HA -0.070 4.258 4.340 -0.020 0.000 0.229 815 R C 1.869 178.149 176.300 -0.032 0.000 1.128 815 R CA 1.276 57.360 56.100 -0.026 0.000 0.960 815 R CB -0.631 29.643 30.300 -0.044 0.000 0.855 815 R HN 0.116 nan 8.270 nan 0.000 0.432 816 T N 2.228 116.780 114.554 -0.004 0.000 2.652 816 T HA -0.119 4.220 4.350 -0.020 0.000 0.267 816 T C 1.940 176.618 174.700 -0.037 0.000 1.039 816 T CA 1.302 63.410 62.100 0.014 0.000 1.153 816 T CB -0.130 68.806 68.868 0.114 0.000 0.863 816 T HN 0.090 nan 8.240 nan 0.000 0.428 817 I N 1.811 122.276 120.570 -0.174 0.000 2.226 817 I HA -0.117 4.041 4.170 -0.020 0.000 0.245 817 I C 2.946 179.005 176.117 -0.097 0.000 1.100 817 I CA 1.028 62.195 61.300 -0.221 0.000 1.374 817 I CB -1.672 36.208 38.000 -0.199 0.000 1.057 817 I HN 0.200 nan 8.210 nan 0.000 0.413 818 A N 0.289 123.074 122.820 -0.059 0.000 1.908 818 A HA -0.253 4.055 4.320 -0.020 0.000 0.218 818 A C 2.236 179.775 177.584 -0.076 0.000 1.181 818 A CA 1.611 53.624 52.037 -0.039 0.000 0.627 818 A CB -0.619 18.363 19.000 -0.030 0.000 0.818 818 A HN 0.548 nan 8.150 nan 0.000 0.445 819 Q N -2.009 117.727 119.800 -0.107 0.000 2.119 819 Q HA -0.160 4.168 4.340 -0.020 0.000 0.201 819 Q C 1.957 177.791 176.000 -0.276 0.000 0.972 819 Q CA 1.571 57.273 55.803 -0.167 0.000 0.847 819 Q CB -0.294 28.336 28.738 -0.181 0.000 0.903 819 Q HN 0.831 nan 8.270 nan 0.000 0.433 820 Y N 0.795 120.799 120.300 -0.492 0.000 2.114 820 Y HA -0.265 4.273 4.550 -0.020 0.000 0.284 820 Y C 2.544 177.876 175.900 -0.947 0.000 1.143 820 Y CA 1.223 58.785 58.100 -0.897 0.000 1.135 820 Y CB -0.474 37.130 38.460 -1.427 0.000 0.980 820 Y HN 0.143 nan 8.280 nan 0.000 0.499 821 A N 0.473 123.045 122.820 -0.414 0.000 1.869 821 A HA -0.286 4.022 4.320 -0.020 0.000 0.218 821 A C 2.237 179.842 177.584 0.035 0.000 1.203 821 A CA 2.417 54.487 52.037 0.054 0.000 0.638 821 A CB -0.729 18.371 19.000 0.167 0.000 0.831 821 A HN 0.448 nan 8.150 nan 0.000 0.450 822 R N -0.774 119.707 120.500 -0.032 0.000 2.073 822 R HA -0.062 4.266 4.340 -0.020 0.000 0.229 822 R C 2.026 178.304 176.300 -0.035 0.000 1.120 822 R CA 1.570 57.659 56.100 -0.017 0.000 0.967 822 R CB -0.223 30.060 30.300 -0.028 0.000 0.862 822 R HN 0.698 nan 8.270 nan 0.000 0.436 823 E N -0.451 119.688 120.200 -0.102 0.000 2.340 823 E HA 0.065 4.403 4.350 -0.020 0.000 0.194 823 E C 1.569 178.123 176.600 -0.077 0.000 0.996 823 E CA 0.538 56.882 56.400 -0.094 0.000 0.869 823 E CB 0.481 30.097 29.700 -0.141 0.000 0.835 823 E HN 0.319 nan 8.360 nan 0.000 0.493 824 I N -1.106 119.378 120.570 -0.144 0.000 3.673 824 I HA 0.023 4.181 4.170 -0.020 0.000 0.281 824 I C 1.412 177.670 176.117 0.235 0.000 1.182 824 I CA -0.001 61.276 61.300 -0.037 0.000 1.391 824 I CB 0.157 38.000 38.000 -0.262 0.000 1.383 824 I HN 0.128 nan 8.210 nan 0.000 0.456 825 W N 1.527 122.923 121.300 0.159 0.000 2.576 825 W HA 0.301 4.949 4.660 -0.020 0.000 0.270 825 W C 1.558 178.113 176.519 0.060 0.000 1.255 825 W CA 0.908 58.326 57.345 0.122 0.000 1.314 825 W CB -1.019 28.499 29.460 0.097 0.000 1.101 825 W HN 0.321 nan 8.180 nan 0.000 0.595 826 G N 0.923 109.867 108.800 0.240 0.000 2.212 826 G HA2 -0.124 3.824 3.960 -0.020 0.000 0.255 826 G HA3 -0.124 3.824 3.960 -0.020 0.000 0.255 826 G C -0.632 174.341 174.900 0.122 0.000 1.062 826 G CA 0.199 45.379 45.100 0.133 0.000 0.815 826 G HN 0.233 nan 8.290 nan 0.000 0.497 827 V N -1.106 118.902 119.914 0.157 0.000 2.876 827 V HA 0.802 4.911 4.120 -0.020 0.000 0.312 827 V C -0.890 175.265 176.094 0.101 0.000 1.085 827 V CA -1.098 61.273 62.300 0.119 0.000 0.945 827 V CB 2.051 33.956 31.823 0.136 0.000 1.017 827 V HN 0.210 nan 8.190 nan 0.000 0.428 828 E N 5.379 125.620 120.200 0.069 0.000 2.134 828 E HA 0.475 4.814 4.350 -0.020 0.000 0.278 828 E C -2.382 174.254 176.600 0.060 0.000 0.959 828 E CA -1.684 54.750 56.400 0.056 0.000 0.783 828 E CB 1.636 31.361 29.700 0.041 0.000 1.095 828 E HN 0.617 nan 8.360 nan 0.000 0.399 829 P HA 0.112 nan 4.420 nan 0.000 0.272 829 P C -0.665 176.665 177.300 0.049 0.000 1.254 829 P CA -0.297 62.836 63.100 0.056 0.000 0.795 829 P CB 0.588 32.314 31.700 0.044 0.000 1.022 830 S N -0.708 115.022 115.700 0.049 0.000 2.579 830 S HA 0.288 4.746 4.470 -0.020 0.000 0.290 830 S C -0.173 174.452 174.600 0.042 0.000 1.123 830 S CA -0.776 57.452 58.200 0.046 0.000 0.894 830 S CB 0.848 64.083 63.200 0.057 0.000 1.095 830 S HN 0.281 nan 8.310 nan 0.000 0.450 831 R N 1.837 122.357 120.500 0.033 0.000 2.393 831 R HA 0.210 4.538 4.340 -0.020 0.000 0.244 831 R C 0.112 176.422 176.300 0.018 0.000 0.920 831 R CA -0.139 55.979 56.100 0.029 0.000 1.076 831 R CB 0.221 30.539 30.300 0.029 0.000 1.119 831 R HN 0.694 nan 8.270 nan 0.000 0.524 832 Q N 2.117 121.928 119.800 0.019 0.000 2.247 832 Q HA -0.056 4.272 4.340 -0.020 0.000 0.288 832 Q C -0.153 175.839 176.000 -0.012 0.000 1.079 832 Q CA 0.667 56.474 55.803 0.007 0.000 0.932 832 Q CB 0.572 29.320 28.738 0.018 0.000 1.133 832 Q HN 0.181 nan 8.270 nan 0.000 0.377 833 R N 2.136 122.619 120.500 -0.027 0.000 2.490 833 R HA 0.430 4.758 4.340 -0.020 0.000 0.278 833 R C -0.436 175.821 176.300 -0.071 0.000 1.069 833 R CA -0.536 55.534 56.100 -0.049 0.000 1.080 833 R CB 0.623 30.890 30.300 -0.054 0.000 1.030 833 R HN 0.388 nan 8.270 nan 0.000 0.491 834 L N 2.671 123.834 121.223 -0.099 0.000 2.421 834 L HA 0.464 4.792 4.340 -0.020 0.000 0.263 834 L C -1.883 174.929 176.870 -0.097 0.000 1.122 834 L CA -2.471 52.283 54.840 -0.144 0.000 0.804 834 L CB 1.258 43.194 42.059 -0.206 0.000 1.150 834 L HN 0.526 nan 8.230 nan 0.000 0.457 835 P HA 0.131 nan 4.420 nan 0.000 0.274 835 P C -0.932 176.344 177.300 -0.040 0.000 1.237 835 P CA -0.418 62.651 63.100 -0.052 0.000 0.793 835 P CB 0.595 32.272 31.700 -0.038 0.000 0.977 836 A N 3.356 126.162 122.820 -0.023 0.000 2.366 836 A HA 0.320 4.629 4.320 -0.020 0.000 0.249 836 A C -1.146 176.441 177.584 0.005 0.000 1.084 836 A CA -0.873 51.161 52.037 -0.006 0.000 0.794 836 A CB -1.302 17.701 19.000 0.004 0.000 1.034 836 A HN 0.428 nan 8.150 nan 0.000 0.491 837 P HA -0.171 nan 4.420 nan 0.000 0.218 837 P C 0.086 177.397 177.300 0.018 0.000 1.165 837 P CA 1.571 64.684 63.100 0.023 0.000 0.922 837 P CB -0.160 31.561 31.700 0.035 0.000 0.794 838 D N 0.000 120.413 120.400 0.021 0.000 6.856 838 D HA 0.000 4.628 4.640 -0.020 0.000 0.175 838 D CA 0.000 54.011 54.000 0.018 0.000 0.868 838 D CB 0.000 40.813 40.800 0.022 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683