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 2cg3_1_A DATA FIRST_RESID 20 DATA SEQUENCE TTAPKPPSAF TVEAQRRVEA ELPFADRADF ERADRGLIRR PERLLIRNPD DATA SEQUENCE GSVAWQLGGY DFLLDGKPRD SINPSLQRQA LLNLKYGLFE VAEGIYQVRG DATA SEQUENCE FDLANITFIR GDSGWIVVDT LTTPATARAA YELVSRELGE RPIRTVIYSH DATA SEQUENCE AHADHFGGVR GLVEPQQVAS GAVQIIAPAG FXEAAIXXXV LAGNAXXRRA DATA SEQUENCE TYQYGTQLPK GPQGQVDXAI GKGLARGPLS LLAPTRLIEG EGEDLVLDGV DATA SEQUENCE PFTFQNTPGT ESPAEXNIWL PRQKALLXAE NVVGTLHNLY TLRGAEVRDA DATA SEQUENCE LGWSKYINQA LHRFGRQAEV XFAVHNWPRW GNAEIVEVLE KQRDLYGYLH DATA SEQUENCE DQTLHLANQG VTIGQVHNRL RLPPSLDQEW YDRGYHGSVS HNARAVLNRY DATA SEQUENCE LGYYDGNPAT LDPLSPEDSA GRYVEYXGGA ERLLEQARAS YARGEYRWVV DATA SEQUENCE EVVNRLVFAE PDNRAARELQ ADALEQLGYQ AENAGWRNSY LSAAYELRHG DATA SEQUENCE VPRDQXXXXX GSADALAAXD TGLLFDYLGV RLDAGAAEGK ALSINLRLPD DATA SEQUENCE IGENYLLELK NSHLNNLRGV QSEDAGQTVS IDRADLNRLL LKEVSAVRLV DATA SEQUENCE FEGKLKSSGN PLLLGQLFGX LGDFDFWFDI VTPAAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.658 174.700 -0.071 0.000 1.109 20 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 20 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 21 T N 0.707 115.217 114.554 -0.073 0.000 3.380 21 T HA 0.733 5.083 4.350 -0.000 0.000 0.289 21 T C 0.389 175.046 174.700 -0.072 0.000 1.012 21 T CA 0.193 62.219 62.100 -0.123 0.000 0.944 21 T CB 0.198 68.966 68.868 -0.168 0.000 1.172 21 T HN 0.940 nan 8.240 nan 0.000 0.502 22 A N 1.711 124.519 122.820 -0.019 0.000 2.313 22 A HA 0.898 5.218 4.320 -0.000 0.000 0.323 22 A C -2.805 174.796 177.584 0.028 0.000 1.133 22 A CA -2.292 49.758 52.037 0.022 0.000 0.847 22 A CB 0.342 19.362 19.000 0.033 0.000 1.308 22 A HN 0.271 nan 8.150 nan 0.000 0.475 23 P HA 0.068 nan 4.420 nan 0.000 0.262 23 P C -0.549 176.823 177.300 0.120 0.000 1.182 23 P CA 0.360 63.527 63.100 0.112 0.000 0.761 23 P CB 0.337 32.129 31.700 0.154 0.000 0.795 24 K N 4.320 124.808 120.400 0.146 0.000 2.109 24 K HA 0.482 4.802 4.320 -0.000 0.000 0.243 24 K C -2.359 174.375 176.600 0.224 0.000 1.006 24 K CA -2.239 54.136 56.287 0.146 0.000 0.917 24 K CB -0.497 32.074 32.500 0.119 0.000 1.081 24 K HN 0.217 nan 8.250 nan 0.000 0.468 25 P HA 0.183 nan 4.420 nan 0.000 0.274 25 P C -2.487 174.930 177.300 0.196 0.000 1.231 25 P CA -1.386 61.779 63.100 0.108 0.000 0.790 25 P CB -0.586 31.151 31.700 0.063 0.000 0.951 26 P HA -0.065 nan 4.420 nan 0.000 0.260 26 P C 0.344 177.747 177.300 0.171 0.000 1.172 26 P CA 0.555 63.776 63.100 0.201 0.000 0.760 26 P CB -0.107 31.628 31.700 0.058 0.000 0.773 27 S N 2.514 118.335 115.700 0.202 0.000 2.589 27 S HA 0.237 4.707 4.470 -0.000 0.000 0.265 27 S C 1.683 176.372 174.600 0.149 0.000 1.342 27 S CA -0.022 58.304 58.200 0.210 0.000 1.005 27 S CB 0.422 63.817 63.200 0.324 0.000 0.909 27 S HN 0.501 nan 8.310 nan 0.000 0.555 28 A N 1.315 124.169 122.820 0.058 0.000 1.997 28 A HA -0.065 4.255 4.320 -0.000 0.000 0.221 28 A C 1.693 179.170 177.584 -0.179 0.000 1.172 28 A CA 1.788 53.757 52.037 -0.112 0.000 0.645 28 A CB -1.191 17.647 19.000 -0.271 0.000 0.813 28 A HN 0.835 nan 8.150 nan 0.000 0.454 29 F N -0.137 119.864 119.950 0.084 0.000 2.206 29 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 29 F C 2.748 178.622 175.800 0.123 0.000 1.090 29 F CA 1.710 59.758 58.000 0.079 0.000 1.323 29 F CB -0.893 38.129 39.000 0.037 0.000 1.028 29 F HN 0.106 nan 8.300 nan 0.000 0.492 30 T N -0.287 114.480 114.554 0.354 0.000 2.777 30 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 30 T C 2.286 177.086 174.700 0.168 0.000 1.040 30 T CA 1.163 63.420 62.100 0.263 0.000 1.141 30 T CB -0.502 68.516 68.868 0.250 0.000 0.868 30 T HN -0.017 nan 8.240 nan 0.000 0.444 31 V N 1.651 121.634 119.914 0.115 0.000 2.252 31 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 31 V C 2.673 178.797 176.094 0.049 0.000 1.056 31 V CA 1.760 64.095 62.300 0.057 0.000 1.022 31 V CB -0.493 31.340 31.823 0.016 0.000 0.641 31 V HN 0.486 nan 8.190 nan 0.000 0.445 32 E N -0.150 120.073 120.200 0.039 0.000 2.077 32 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 32 E C 2.342 178.988 176.600 0.078 0.000 0.989 32 E CA 1.495 57.917 56.400 0.037 0.000 0.800 32 E CB -0.219 29.487 29.700 0.010 0.000 0.746 32 E HN 0.553 nan 8.360 nan 0.000 0.452 33 A N 1.495 124.389 122.820 0.123 0.000 1.892 33 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 33 A C 2.083 179.736 177.584 0.115 0.000 1.188 33 A CA 1.708 53.824 52.037 0.132 0.000 0.631 33 A CB -0.528 18.572 19.000 0.167 0.000 0.822 33 A HN 0.242 nan 8.150 nan 0.000 0.447 34 Q N -0.565 119.301 119.800 0.109 0.000 2.096 34 Q HA -0.171 4.168 4.340 -0.000 0.000 0.204 34 Q C 2.153 178.190 176.000 0.061 0.000 0.982 34 Q CA 1.217 57.076 55.803 0.094 0.000 0.850 34 Q CB -0.523 28.260 28.738 0.076 0.000 0.901 34 Q HN 0.529 nan 8.270 nan 0.000 0.422 35 R N 0.853 121.377 120.500 0.040 0.000 2.091 35 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 35 R C 2.209 178.534 176.300 0.041 0.000 1.136 35 R CA 1.271 57.383 56.100 0.019 0.000 0.959 35 R CB -0.692 29.614 30.300 0.010 0.000 0.856 35 R HN 0.152 nan 8.270 nan 0.000 0.437 36 R N 0.731 121.267 120.500 0.061 0.000 2.105 36 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 36 R C 2.122 178.480 176.300 0.096 0.000 1.135 36 R CA 1.125 57.266 56.100 0.069 0.000 0.967 36 R CB -0.644 29.698 30.300 0.070 0.000 0.861 36 R HN 0.061 nan 8.270 nan 0.000 0.442 37 V N 0.863 120.853 119.914 0.127 0.000 2.295 37 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 37 V C 1.843 178.115 176.094 0.296 0.000 1.049 37 V CA 2.266 64.686 62.300 0.200 0.000 1.024 37 V CB -0.478 31.490 31.823 0.243 0.000 0.648 37 V HN 0.443 nan 8.190 nan 0.000 0.447 38 E N 0.608 120.911 120.200 0.171 0.000 2.268 38 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 38 E C 2.200 178.911 176.600 0.184 0.000 0.995 38 E CA 1.093 57.556 56.400 0.106 0.000 0.836 38 E CB -0.300 29.258 29.700 -0.237 0.000 0.763 38 E HN 0.614 nan 8.360 nan 0.000 0.491 39 A N 1.291 124.183 122.820 0.120 0.000 1.968 39 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 39 A C 1.873 179.517 177.584 0.099 0.000 1.169 39 A CA 1.058 53.152 52.037 0.094 0.000 0.638 39 A CB -0.109 18.924 19.000 0.056 0.000 0.812 39 A HN 0.099 nan 8.150 nan 0.000 0.446 40 E N -1.077 119.189 120.200 0.110 0.000 2.318 40 E HA 0.206 4.556 4.350 -0.000 0.000 0.193 40 E C -0.157 176.449 176.600 0.011 0.000 0.998 40 E CA 0.056 56.485 56.400 0.049 0.000 0.859 40 E CB 0.121 29.840 29.700 0.032 0.000 0.812 40 E HN 0.505 nan 8.360 nan 0.000 0.492 41 L N 0.922 122.208 121.223 0.104 0.000 2.333 41 L HA 0.371 4.711 4.340 -0.000 0.000 0.269 41 L C -2.266 174.582 176.870 -0.036 0.000 1.010 41 L CA -2.338 52.432 54.840 -0.116 0.000 0.818 41 L CB 1.708 43.634 42.059 -0.222 0.000 1.306 41 L HN -0.196 nan 8.230 nan 0.000 0.430 42 P HA 0.126 nan 4.420 nan 0.000 0.225 42 P C 0.521 178.030 177.300 0.348 0.000 1.813 42 P CA -0.122 62.977 63.100 -0.001 0.000 1.013 42 P CB -0.333 31.286 31.700 -0.134 0.000 1.961 43 F N 1.116 121.344 119.950 0.462 0.000 2.307 43 F HA -0.169 4.358 4.527 -0.000 0.000 0.301 43 F C 2.412 178.363 175.800 0.251 0.000 1.076 43 F CA 1.278 59.526 58.000 0.414 0.000 1.383 43 F CB -0.803 38.353 39.000 0.261 0.000 1.055 43 F HN 0.201 nan 8.300 nan 0.000 0.526 44 A N -0.950 122.081 122.820 0.352 0.000 2.119 44 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 44 A C 0.847 178.557 177.584 0.210 0.000 1.153 44 A CA 0.874 53.043 52.037 0.221 0.000 0.692 44 A CB -0.578 18.517 19.000 0.159 0.000 0.799 44 A HN 0.214 nan 8.150 nan 0.000 0.458 45 D N 0.030 120.599 120.400 0.282 0.000 2.402 45 D HA 0.185 4.825 4.640 -0.000 0.000 0.235 45 D C 0.708 177.183 176.300 0.292 0.000 1.226 45 D CA -0.025 54.150 54.000 0.292 0.000 0.918 45 D CB 0.126 41.116 40.800 0.317 0.000 1.043 45 D HN 0.228 nan 8.370 nan 0.000 0.506 46 R N 2.667 123.289 120.500 0.204 0.000 2.432 46 R HA 0.254 4.594 4.340 -0.000 0.000 0.260 46 R C 1.485 177.910 176.300 0.207 0.000 0.935 46 R CA 0.065 56.287 56.100 0.204 0.000 1.080 46 R CB 0.611 30.983 30.300 0.119 0.000 1.155 46 R HN 0.434 nan 8.270 nan 0.000 0.531 47 A N 1.171 124.093 122.820 0.170 0.000 1.969 47 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 47 A C 1.357 178.991 177.584 0.083 0.000 1.169 47 A CA 1.334 53.456 52.037 0.141 0.000 0.635 47 A CB -0.120 18.979 19.000 0.165 0.000 0.810 47 A HN 0.157 nan 8.150 nan 0.000 0.445 48 D N -0.405 120.006 120.400 0.017 0.000 2.172 48 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 48 D C 1.494 177.452 176.300 -0.570 0.000 0.999 48 D CA 1.348 55.177 54.000 -0.285 0.000 0.856 48 D CB -0.442 40.123 40.800 -0.392 0.000 0.934 48 D HN 0.542 nan 8.370 nan 0.000 0.453 49 F N 1.180 120.959 119.950 -0.284 0.000 2.134 49 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 49 F C 2.520 178.220 175.800 -0.166 0.000 1.097 49 F CA 0.864 58.715 58.000 -0.247 0.000 1.264 49 F CB -0.197 38.700 39.000 -0.172 0.000 1.001 49 F HN -0.100 nan 8.300 nan 0.000 0.479 50 E N 0.825 121.062 120.200 0.061 0.000 2.077 50 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 50 E C 2.345 178.936 176.600 -0.015 0.000 0.989 50 E CA 1.132 57.543 56.400 0.019 0.000 0.800 50 E CB -0.075 29.638 29.700 0.022 0.000 0.746 50 E HN 0.379 nan 8.360 nan 0.000 0.452 51 R N 0.049 120.542 120.500 -0.013 0.000 2.073 51 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 51 R C 2.414 178.753 176.300 0.065 0.000 1.134 51 R CA 1.319 57.496 56.100 0.128 0.000 0.952 51 R CB -0.420 30.036 30.300 0.260 0.000 0.850 51 R HN 0.105 nan 8.270 nan 0.000 0.433 52 A N 0.831 123.461 122.820 -0.317 0.000 2.178 52 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 52 A C 1.224 178.797 177.584 -0.019 0.000 1.157 52 A CA 1.441 53.294 52.037 -0.307 0.000 0.689 52 A CB -0.079 18.517 19.000 -0.673 0.000 0.787 52 A HN 0.179 nan 8.150 nan 0.000 0.465 53 D N -1.329 119.112 120.400 0.068 0.000 2.388 53 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 53 D C 1.043 177.471 176.300 0.213 0.000 1.035 53 D CA -0.015 54.108 54.000 0.205 0.000 0.875 53 D CB -0.002 40.856 40.800 0.096 0.000 0.984 53 D HN 0.476 nan 8.370 nan 0.000 0.508 54 R N 0.223 120.778 120.500 0.091 0.000 2.679 54 R HA 0.188 4.528 4.340 -0.000 0.000 0.268 54 R C 1.060 177.437 176.300 0.128 0.000 1.044 54 R CA 1.140 57.202 56.100 -0.065 0.000 1.105 54 R CB 0.216 30.232 30.300 -0.475 0.000 0.989 54 R HN 0.111 nan 8.270 nan 0.000 0.447 55 G N 3.130 111.958 108.800 0.046 0.000 2.180 55 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 55 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 55 G C 0.006 175.016 174.900 0.184 0.000 0.989 55 G CA 0.446 45.629 45.100 0.137 0.000 0.692 55 G HN 0.587 nan 8.290 nan 0.000 0.526 56 L N 0.320 121.622 121.223 0.132 0.000 2.559 56 L HA 0.424 4.764 4.340 -0.000 0.000 0.274 56 L C 1.383 178.140 176.870 -0.188 0.000 1.205 56 L CA 0.601 55.295 54.840 -0.242 0.000 0.907 56 L CB 0.324 42.225 42.059 -0.263 0.000 1.153 56 L HN 0.188 nan 8.230 nan 0.000 0.490 57 I N 2.924 123.352 120.570 -0.236 0.000 3.172 57 I HA 0.218 4.388 4.170 -0.000 0.000 0.278 57 I C 0.381 176.401 176.117 -0.161 0.000 1.174 57 I CA -0.106 61.113 61.300 -0.135 0.000 1.445 57 I CB 0.181 38.132 38.000 -0.083 0.000 1.175 57 I HN 0.639 nan 8.210 nan 0.000 0.447 58 R N 0.887 121.249 120.500 -0.230 0.000 2.536 58 R HA 0.353 4.693 4.340 -0.000 0.000 0.269 58 R C -1.220 174.954 176.300 -0.211 0.000 1.113 58 R CA -0.559 55.436 56.100 -0.175 0.000 0.948 58 R CB 1.177 31.415 30.300 -0.103 0.000 1.237 58 R HN -0.051 nan 8.270 nan 0.000 0.441 59 R N 5.023 125.408 120.500 -0.191 0.000 2.320 59 R HA 0.517 4.857 4.340 -0.000 0.000 0.319 59 R C -2.213 174.054 176.300 -0.055 0.000 0.969 59 R CA -1.819 54.144 56.100 -0.229 0.000 0.857 59 R CB 1.099 31.144 30.300 -0.425 0.000 1.160 59 R HN 0.456 nan 8.270 nan 0.000 0.491 60 P HA -0.005 nan 4.420 nan 0.000 0.267 60 P C 0.126 177.535 177.300 0.181 0.000 1.200 60 P CA -0.103 63.093 63.100 0.160 0.000 0.772 60 P CB 0.938 32.778 31.700 0.234 0.000 0.855 61 E N 2.070 122.335 120.200 0.109 0.000 2.065 61 E HA -0.170 4.180 4.350 -0.000 0.000 0.201 61 E C 0.247 176.929 176.600 0.137 0.000 1.016 61 E CA 1.736 58.192 56.400 0.094 0.000 0.818 61 E CB 0.123 29.856 29.700 0.055 0.000 0.749 61 E HN 0.383 nan 8.360 nan 0.000 0.453 62 R N -0.962 119.608 120.500 0.117 0.000 2.651 62 R HA 0.400 4.740 4.340 -0.000 0.000 0.278 62 R C -1.493 174.831 176.300 0.039 0.000 1.010 62 R CA -1.008 55.139 56.100 0.079 0.000 0.896 62 R CB 1.586 31.904 30.300 0.031 0.000 1.211 62 R HN 0.001 nan 8.270 nan 0.000 0.456 63 L N 3.754 124.943 121.223 -0.057 0.000 2.319 63 L HA 0.496 4.836 4.340 -0.000 0.000 0.281 63 L C -1.678 175.117 176.870 -0.125 0.000 1.005 63 L CA -0.708 54.052 54.840 -0.133 0.000 0.828 63 L CB 1.430 43.284 42.059 -0.342 0.000 1.227 63 L HN 0.505 nan 8.230 nan 0.000 0.415 64 L N 6.870 128.057 121.223 -0.060 0.000 2.446 64 L HA 0.640 4.980 4.340 -0.000 0.000 0.268 64 L C -1.480 175.400 176.870 0.017 0.000 0.975 64 L CA -0.165 54.657 54.840 -0.031 0.000 0.848 64 L CB 1.441 43.482 42.059 -0.030 0.000 1.225 64 L HN 0.506 nan 8.230 nan 0.000 0.410 65 I N 4.932 125.539 120.570 0.061 0.000 2.378 65 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 65 I C -0.023 176.142 176.117 0.080 0.000 0.992 65 I CA -0.603 60.749 61.300 0.086 0.000 1.154 65 I CB 1.479 39.551 38.000 0.120 0.000 1.315 65 I HN 0.540 nan 8.210 nan 0.000 0.448 66 R N 4.137 124.674 120.500 0.062 0.000 2.532 66 R HA 0.425 4.765 4.340 -0.000 0.000 0.295 66 R C -0.524 175.806 176.300 0.051 0.000 0.968 66 R CA -0.954 55.176 56.100 0.049 0.000 0.916 66 R CB 1.281 31.602 30.300 0.035 0.000 1.124 66 R HN 0.487 nan 8.270 nan 0.000 0.463 67 N N 2.181 120.907 118.700 0.044 0.000 2.467 67 N HA 0.095 4.835 4.740 -0.000 0.000 0.262 67 N C -1.746 173.784 175.510 0.033 0.000 1.234 67 N CA -1.756 51.317 53.050 0.040 0.000 0.952 67 N CB 0.721 39.228 38.487 0.034 0.000 1.158 67 N HN 0.281 nan 8.380 nan 0.000 0.463 68 P HA -0.157 nan 4.420 nan 0.000 0.215 68 P C 0.334 177.648 177.300 0.023 0.000 1.157 68 P CA 1.394 64.511 63.100 0.028 0.000 0.874 68 P CB 0.072 31.789 31.700 0.029 0.000 0.790 69 D N -1.567 118.845 120.400 0.020 0.000 2.358 69 D HA 0.037 4.677 4.640 -0.000 0.000 0.241 69 D C 1.388 177.697 176.300 0.014 0.000 1.094 69 D CA 0.713 54.722 54.000 0.015 0.000 0.907 69 D CB -1.264 39.544 40.800 0.012 0.000 0.893 69 D HN 0.275 nan 8.370 nan 0.000 0.528 70 G N -0.042 108.768 108.800 0.017 0.000 2.212 70 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.266 70 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.266 70 G C 0.569 175.477 174.900 0.014 0.000 0.978 70 G CA 0.717 45.827 45.100 0.015 0.000 0.632 70 G HN 0.867 nan 8.290 nan 0.000 0.537 71 S N -0.895 114.814 115.700 0.014 0.000 2.587 71 S HA 0.546 5.016 4.470 -0.000 0.000 0.260 71 S C 0.381 174.994 174.600 0.021 0.000 1.353 71 S CA -0.024 58.184 58.200 0.014 0.000 0.995 71 S CB 2.000 65.208 63.200 0.012 0.000 0.912 71 S HN 1.053 nan 8.310 nan 0.000 0.568 72 V N 1.676 121.602 119.914 0.020 0.000 2.407 72 V HA 0.567 4.687 4.120 -0.000 0.000 0.278 72 V C 1.094 177.222 176.094 0.057 0.000 1.037 72 V CA -0.066 62.252 62.300 0.030 0.000 0.900 72 V CB 0.680 32.507 31.823 0.008 0.000 0.983 72 V HN 1.131 nan 8.190 nan 0.000 0.459 73 A N 4.805 127.681 122.820 0.093 0.000 1.943 73 A HA 0.198 4.518 4.320 -0.000 0.000 0.213 73 A C 0.521 178.269 177.584 0.275 0.000 1.181 73 A CA 0.446 52.567 52.037 0.140 0.000 0.653 73 A CB 0.324 19.395 19.000 0.119 0.000 0.833 73 A HN 0.794 nan 8.150 nan 0.000 0.451 74 W N -0.665 120.614 121.300 -0.035 0.000 3.419 74 W HA 0.503 5.163 4.660 -0.000 0.000 0.298 74 W C -2.156 174.310 176.519 -0.089 0.000 1.260 74 W CA -0.345 56.969 57.345 -0.053 0.000 1.199 74 W CB 0.942 30.360 29.460 -0.070 0.000 1.349 74 W HN 0.289 nan 8.180 nan 0.000 0.557 75 Q N 4.236 123.681 119.800 -0.591 0.000 2.541 75 Q HA 0.205 4.545 4.340 -0.000 0.000 0.259 75 Q C -1.305 174.330 176.000 -0.607 0.000 0.974 75 Q CA -0.396 55.129 55.803 -0.464 0.000 0.955 75 Q CB 1.750 30.341 28.738 -0.246 0.000 1.517 75 Q HN 0.676 nan 8.270 nan 0.000 0.412 76 L N 2.436 123.384 121.223 -0.457 0.000 2.556 76 L HA 0.305 4.645 4.340 -0.000 0.000 0.226 76 L C 1.903 178.678 176.870 -0.158 0.000 1.089 76 L CA 0.763 55.426 54.840 -0.294 0.000 0.864 76 L CB 0.224 42.066 42.059 -0.361 0.000 1.067 76 L HN 0.953 nan 8.230 nan 0.000 0.477 77 G N 0.656 109.357 108.800 -0.165 0.000 2.507 77 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 77 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 77 G C 1.535 176.367 174.900 -0.113 0.000 1.119 77 G CA 0.878 45.918 45.100 -0.099 0.000 0.751 77 G HN 0.484 nan 8.290 nan 0.000 0.574 78 G N -0.712 107.948 108.800 -0.234 0.000 2.559 78 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 78 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 78 G C 1.102 175.873 174.900 -0.215 0.000 1.126 78 G CA 0.307 45.257 45.100 -0.250 0.000 0.778 78 G HN 0.486 nan 8.290 nan 0.000 0.543 79 Y N 0.741 120.991 120.300 -0.083 0.000 2.470 79 Y HA 0.170 4.720 4.550 -0.000 0.000 0.284 79 Y C 1.701 177.367 175.900 -0.389 0.000 1.188 79 Y CA -0.866 57.054 58.100 -0.301 0.000 1.269 79 Y CB 0.223 38.513 38.460 -0.284 0.000 1.094 79 Y HN 0.088 nan 8.280 nan 0.000 0.518 80 D N 0.361 120.744 120.400 -0.029 0.000 2.149 80 D HA -0.219 4.421 4.640 -0.000 0.000 0.198 80 D C 1.961 178.258 176.300 -0.005 0.000 0.990 80 D CA 1.481 55.480 54.000 -0.002 0.000 0.839 80 D CB -0.505 40.324 40.800 0.047 0.000 0.948 80 D HN 0.500 nan 8.370 nan 0.000 0.460 81 F N 0.133 120.111 119.950 0.046 0.000 2.236 81 F HA -0.105 4.422 4.527 -0.000 0.000 0.302 81 F C 1.947 177.777 175.800 0.050 0.000 1.073 81 F CA 0.721 58.743 58.000 0.038 0.000 1.336 81 F CB -0.991 38.027 39.000 0.029 0.000 1.040 81 F HN -0.076 nan 8.300 nan 0.000 0.507 82 L N 0.073 121.018 121.223 -0.463 0.000 2.341 82 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 82 L C 2.405 179.215 176.870 -0.100 0.000 1.115 82 L CA 0.296 54.971 54.840 -0.274 0.000 0.820 82 L CB -0.461 41.341 42.059 -0.428 0.000 0.944 82 L HN 0.243 nan 8.230 nan 0.000 0.452 83 L N 0.444 121.621 121.223 -0.076 0.000 2.083 83 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 83 L C 2.139 179.005 176.870 -0.006 0.000 1.083 83 L CA 1.407 56.235 54.840 -0.020 0.000 0.752 83 L CB -0.815 41.246 42.059 0.004 0.000 0.899 83 L HN 0.445 nan 8.230 nan 0.000 0.433 84 D N -0.047 120.357 120.400 0.007 0.000 2.357 84 D HA -0.140 4.500 4.640 -0.000 0.000 0.216 84 D C 1.655 177.954 176.300 -0.003 0.000 0.973 84 D CA 1.113 55.120 54.000 0.011 0.000 0.912 84 D CB -0.274 40.544 40.800 0.029 0.000 0.900 84 D HN 0.375 nan 8.370 nan 0.000 0.501 85 G N 0.718 109.513 108.800 -0.008 0.000 2.435 85 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.245 85 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.245 85 G C 0.400 175.292 174.900 -0.013 0.000 1.073 85 G CA 0.629 45.715 45.100 -0.024 0.000 0.638 85 G HN 0.893 nan 8.290 nan 0.000 0.521 86 K N 2.056 122.456 120.400 0.001 0.000 2.530 86 K HA 0.315 4.635 4.320 -0.000 0.000 0.280 86 K C -2.274 174.336 176.600 0.016 0.000 1.004 86 K CA -0.464 55.826 56.287 0.004 0.000 1.071 86 K CB 0.202 32.709 32.500 0.011 0.000 0.876 86 K HN 0.172 nan 8.250 nan 0.000 0.487 87 P HA -0.026 nan 4.420 nan 0.000 0.265 87 P C -1.073 176.234 177.300 0.011 0.000 1.187 87 P CA 0.232 63.330 63.100 -0.003 0.000 0.766 87 P CB 0.475 32.156 31.700 -0.030 0.000 0.820 88 R N 2.220 122.733 120.500 0.022 0.000 2.507 88 R HA 0.172 4.512 4.340 -0.000 0.000 0.298 88 R C -0.023 176.265 176.300 -0.019 0.000 1.087 88 R CA -0.458 55.644 56.100 0.003 0.000 0.917 88 R CB 1.048 31.366 30.300 0.030 0.000 1.173 88 R HN 0.322 nan 8.270 nan 0.000 0.472 89 D N 0.535 120.911 120.400 -0.041 0.000 2.392 89 D HA -0.098 4.542 4.640 -0.000 0.000 0.228 89 D C 1.240 177.500 176.300 -0.068 0.000 1.003 89 D CA 1.145 55.129 54.000 -0.026 0.000 0.917 89 D CB 0.353 41.143 40.800 -0.017 0.000 0.890 89 D HN 0.452 nan 8.370 nan 0.000 0.532 90 S N -0.529 115.042 115.700 -0.215 0.000 2.631 90 S HA 0.134 4.604 4.470 -0.000 0.000 0.217 90 S C 0.697 175.212 174.600 -0.141 0.000 0.958 90 S CA -0.357 57.538 58.200 -0.508 0.000 0.920 90 S CB -0.024 62.543 63.200 -1.054 0.000 0.776 90 S HN 0.073 nan 8.310 nan 0.000 0.517 91 I N 2.011 122.591 120.570 0.016 0.000 2.545 91 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 91 I C -0.270 175.942 176.117 0.159 0.000 1.040 91 I CA -0.956 60.423 61.300 0.132 0.000 1.068 91 I CB 1.539 39.630 38.000 0.152 0.000 1.251 91 I HN 0.063 nan 8.210 nan 0.000 0.424 92 N N 7.539 126.364 118.700 0.208 0.000 2.483 92 N HA 0.095 4.834 4.740 -0.000 0.000 0.264 92 N C -1.870 173.786 175.510 0.243 0.000 1.197 92 N CA -1.232 51.952 53.050 0.223 0.000 0.927 92 N CB 1.479 40.115 38.487 0.249 0.000 1.065 92 N HN 0.300 nan 8.380 nan 0.000 0.461 93 P HA -0.099 nan 4.420 nan 0.000 0.219 93 P C 1.348 178.952 177.300 0.507 0.000 1.150 93 P CA 0.868 64.119 63.100 0.252 0.000 0.814 93 P CB 0.173 31.899 31.700 0.043 0.000 0.787 94 S N -0.491 115.603 115.700 0.657 0.000 2.368 94 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 94 S C 1.827 176.730 174.600 0.505 0.000 1.029 94 S CA 0.797 59.401 58.200 0.673 0.000 0.988 94 S CB -1.066 62.525 63.200 0.651 0.000 0.838 94 S HN -0.022 nan 8.310 nan 0.000 0.462 95 L N 1.829 123.312 121.223 0.434 0.000 2.141 95 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 95 L C 2.475 179.416 176.870 0.118 0.000 1.094 95 L CA 2.115 57.119 54.840 0.274 0.000 0.763 95 L CB -1.031 41.196 42.059 0.280 0.000 0.908 95 L HN 0.480 nan 8.230 nan 0.000 0.437 96 Q N -0.611 119.294 119.800 0.175 0.000 2.079 96 Q HA -0.248 4.092 4.340 -0.000 0.000 0.200 96 Q C 2.449 178.502 176.000 0.089 0.000 0.974 96 Q CA 1.563 57.443 55.803 0.128 0.000 0.840 96 Q CB -0.178 28.648 28.738 0.146 0.000 0.898 96 Q HN 0.527 nan 8.270 nan 0.000 0.430 97 R N 0.084 120.660 120.500 0.128 0.000 2.094 97 R HA -0.262 4.078 4.340 -0.000 0.000 0.239 97 R C 2.279 178.501 176.300 -0.130 0.000 1.137 97 R CA 2.101 58.232 56.100 0.051 0.000 0.943 97 R CB -0.207 30.056 30.300 -0.062 0.000 0.850 97 R HN 0.244 nan 8.270 nan 0.000 0.433 98 Q N 0.151 119.804 119.800 -0.246 0.000 2.124 98 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 98 Q C 1.831 177.702 176.000 -0.215 0.000 0.977 98 Q CA 1.987 57.563 55.803 -0.378 0.000 0.850 98 Q CB -0.250 27.880 28.738 -1.015 0.000 0.901 98 Q HN 0.465 nan 8.270 nan 0.000 0.429 99 A N 0.308 123.033 122.820 -0.157 0.000 1.883 99 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 99 A C 2.127 179.637 177.584 -0.124 0.000 1.186 99 A CA 1.513 53.476 52.037 -0.123 0.000 0.624 99 A CB -0.876 18.088 19.000 -0.061 0.000 0.822 99 A HN 0.489 nan 8.150 nan 0.000 0.444 100 L N -0.836 120.346 121.223 -0.068 0.000 2.056 100 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 100 L C 2.579 179.413 176.870 -0.061 0.000 1.078 100 L CA 1.066 55.897 54.840 -0.015 0.000 0.749 100 L CB -0.329 41.810 42.059 0.134 0.000 0.901 100 L HN 0.416 nan 8.230 nan 0.000 0.433 101 L N -0.473 120.616 121.223 -0.224 0.000 2.017 101 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 101 L C 2.190 178.984 176.870 -0.127 0.000 1.073 101 L CA 1.116 55.697 54.840 -0.431 0.000 0.745 101 L CB -0.713 40.830 42.059 -0.860 0.000 0.894 101 L HN 0.326 nan 8.230 nan 0.000 0.432 102 N N 0.119 118.826 118.700 0.012 0.000 2.430 102 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 102 N C 1.665 177.242 175.510 0.111 0.000 1.032 102 N CA 1.009 54.127 53.050 0.113 0.000 0.893 102 N CB -0.191 38.331 38.487 0.058 0.000 0.957 102 N HN 0.355 nan 8.380 nan 0.000 0.442 103 L N -0.006 121.251 121.223 0.055 0.000 2.610 103 L HA 0.008 4.348 4.340 -0.000 0.000 0.232 103 L C 0.141 177.198 176.870 0.312 0.000 1.149 103 L CA 0.361 55.295 54.840 0.157 0.000 0.872 103 L CB 0.090 42.193 42.059 0.073 0.000 0.992 103 L HN -0.198 nan 8.230 nan 0.000 0.447 104 K N 1.138 121.676 120.400 0.231 0.000 2.333 104 K HA 0.151 4.471 4.320 -0.000 0.000 0.241 104 K C -0.602 176.260 176.600 0.437 0.000 1.193 104 K CA -0.268 56.158 56.287 0.232 0.000 1.142 104 K CB -0.640 31.918 32.500 0.097 0.000 1.731 104 K HN 0.085 nan 8.250 nan 0.000 0.344 105 Y N -1.449 119.071 120.300 0.367 0.000 2.432 105 Y HA 0.801 5.351 4.550 -0.000 0.000 0.322 105 Y C 0.815 176.989 175.900 0.457 0.000 1.246 105 Y CA -0.710 57.675 58.100 0.475 0.000 1.268 105 Y CB 1.093 39.785 38.460 0.387 0.000 1.276 105 Y HN 0.410 nan 8.280 nan 0.000 0.499 106 G N 0.615 109.803 108.800 0.647 0.000 2.260 106 G HA2 0.162 4.122 3.960 -0.000 0.000 0.250 106 G HA3 0.162 4.122 3.960 -0.000 0.000 0.250 106 G C -2.382 172.589 174.900 0.117 0.000 1.340 106 G CA -0.705 44.566 45.100 0.285 0.000 1.056 106 G HN 0.887 nan 8.290 nan 0.000 0.471 107 L N 0.704 121.823 121.223 -0.173 0.000 2.275 107 L HA 0.874 5.214 4.340 -0.000 0.000 0.288 107 L C -1.063 175.675 176.870 -0.221 0.000 1.046 107 L CA -0.799 53.970 54.840 -0.118 0.000 0.805 107 L CB 0.360 42.318 42.059 -0.169 0.000 1.193 107 L HN 0.435 nan 8.230 nan 0.000 0.426 108 F N 2.613 122.628 119.950 0.107 0.000 2.563 108 F HA 0.444 4.971 4.527 -0.000 0.000 0.316 108 F C 0.063 175.987 175.800 0.207 0.000 1.076 108 F CA -0.742 57.346 58.000 0.147 0.000 0.921 108 F CB 1.741 40.840 39.000 0.165 0.000 1.209 108 F HN 0.468 nan 8.300 nan 0.000 0.462 109 E N 1.118 121.543 120.200 0.375 0.000 2.283 109 E HA 0.376 4.725 4.350 -0.000 0.000 0.278 109 E C -0.440 176.279 176.600 0.198 0.000 1.027 109 E CA -0.270 56.261 56.400 0.217 0.000 0.843 109 E CB 1.426 31.221 29.700 0.157 0.000 1.062 109 E HN 0.549 nan 8.360 nan 0.000 0.401 110 V N 3.178 123.087 119.914 -0.009 0.000 2.788 110 V HA 0.366 4.486 4.120 -0.000 0.000 0.241 110 V C 0.461 176.570 176.094 0.025 0.000 1.083 110 V CA 1.002 63.295 62.300 -0.011 0.000 1.103 110 V CB 0.181 31.684 31.823 -0.534 0.000 0.800 110 V HN 0.772 nan 8.190 nan 0.000 0.476 111 A N -0.430 122.293 122.820 -0.161 0.000 2.540 111 A HA 0.558 4.878 4.320 -0.000 0.000 0.291 111 A C -0.814 176.645 177.584 -0.208 0.000 1.083 111 A CA -0.503 51.467 52.037 -0.112 0.000 0.650 111 A CB 0.664 19.579 19.000 -0.142 0.000 1.292 111 A HN 0.199 nan 8.150 nan 0.000 0.435 112 E N 0.313 120.433 120.200 -0.133 0.000 2.585 112 E HA 0.347 4.697 4.350 -0.000 0.000 0.252 112 E C 1.202 177.708 176.600 -0.157 0.000 0.981 112 E CA 1.634 57.966 56.400 -0.113 0.000 0.943 112 E CB -0.155 29.508 29.700 -0.061 0.000 0.923 112 E HN 2.317 nan 8.360 nan 0.000 0.486 113 G N 4.323 113.028 108.800 -0.158 0.000 2.166 113 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 113 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 113 G C 0.169 174.928 174.900 -0.236 0.000 0.986 113 G CA 0.491 45.542 45.100 -0.080 0.000 0.683 113 G HN 0.546 nan 8.290 nan 0.000 0.527 114 I N 0.321 120.559 120.570 -0.553 0.000 2.382 114 I HA 0.495 4.665 4.170 -0.000 0.000 0.285 114 I C -0.308 175.411 176.117 -0.663 0.000 1.007 114 I CA -1.151 59.867 61.300 -0.471 0.000 1.142 114 I CB 0.955 38.686 38.000 -0.448 0.000 1.289 114 I HN 0.010 nan 8.210 nan 0.000 0.453 115 Y N 4.096 124.414 120.300 0.031 0.000 2.528 115 Y HA 0.598 5.148 4.550 -0.000 0.000 0.335 115 Y C 0.055 176.007 175.900 0.087 0.000 1.093 115 Y CA -0.805 57.319 58.100 0.039 0.000 1.134 115 Y CB 1.402 39.844 38.460 -0.030 0.000 1.253 115 Y HN 0.424 nan 8.280 nan 0.000 0.478 116 Q N 0.927 120.898 119.800 0.285 0.000 2.375 116 Q HA 0.632 4.972 4.340 -0.000 0.000 0.271 116 Q C -1.590 174.565 176.000 0.258 0.000 1.074 116 Q CA -1.107 54.853 55.803 0.262 0.000 0.808 116 Q CB 3.164 32.033 28.738 0.218 0.000 1.327 116 Q HN 0.441 nan 8.270 nan 0.000 0.441 117 V N 2.986 122.995 119.914 0.158 0.000 2.370 117 V HA 0.452 4.572 4.120 -0.000 0.000 0.279 117 V C -0.152 176.045 176.094 0.171 0.000 1.029 117 V CA -0.620 61.719 62.300 0.065 0.000 0.870 117 V CB 1.036 32.675 31.823 -0.308 0.000 0.984 117 V HN 0.605 nan 8.190 nan 0.000 0.451 118 R N 2.998 123.713 120.500 0.358 0.000 2.664 118 R HA 0.627 4.967 4.340 -0.000 0.000 0.286 118 R C 0.972 177.584 176.300 0.519 0.000 0.967 118 R CA -0.180 56.131 56.100 0.353 0.000 0.933 118 R CB 1.671 32.140 30.300 0.282 0.000 1.146 118 R HN 1.009 nan 8.270 nan 0.000 0.468 119 G N 1.226 110.275 108.800 0.415 0.000 2.143 119 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 119 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 119 G C 0.224 175.425 174.900 0.501 0.000 0.991 119 G CA 0.026 45.432 45.100 0.509 0.000 0.689 119 G HN 0.644 nan 8.290 nan 0.000 0.522 120 F N 0.314 120.240 119.950 -0.041 0.000 2.765 120 F HA 0.360 4.887 4.527 -0.000 0.000 0.302 120 F C 1.269 176.221 175.800 -1.412 0.000 1.111 120 F CA 0.661 58.408 58.000 -0.421 0.000 1.359 120 F CB 0.546 39.438 39.000 -0.181 0.000 1.097 120 F HN 0.224 nan 8.300 nan 0.000 0.577 121 D N -2.100 117.523 120.400 -1.295 0.000 2.918 121 D HA 0.001 4.641 4.640 -0.000 0.000 0.342 121 D C 0.261 176.227 176.300 -0.558 0.000 1.403 121 D CA -0.493 52.645 54.000 -1.438 0.000 0.776 121 D CB 0.161 40.575 40.800 -0.644 0.000 1.365 121 D HN -0.109 nan 8.370 nan 0.000 0.468 122 L N 1.256 122.358 121.223 -0.201 0.000 2.083 122 L HA 0.246 4.586 4.340 -0.000 0.000 0.209 122 L C 0.803 177.794 176.870 0.201 0.000 1.083 122 L CA 2.397 57.308 54.840 0.119 0.000 0.752 122 L CB -0.664 41.496 42.059 0.167 0.000 0.899 122 L HN 0.466 nan 8.230 nan 0.000 0.433 123 A N -1.185 121.627 122.820 -0.012 0.000 2.288 123 A HA 0.564 4.883 4.320 -0.000 0.000 0.328 123 A C -0.311 177.155 177.584 -0.196 0.000 1.123 123 A CA -0.844 51.021 52.037 -0.288 0.000 0.861 123 A CB 0.372 19.007 19.000 -0.609 0.000 1.272 123 A HN 0.305 nan 8.150 nan 0.000 0.490 124 N N -0.240 118.328 118.700 -0.219 0.000 2.463 124 N HA 0.457 5.197 4.740 -0.000 0.000 0.270 124 N C -0.869 174.591 175.510 -0.083 0.000 1.205 124 N CA -0.133 52.874 53.050 -0.071 0.000 0.974 124 N CB 1.557 40.039 38.487 -0.009 0.000 1.197 124 N HN 0.667 nan 8.380 nan 0.000 0.504 125 I N -0.501 120.065 120.570 -0.007 0.000 2.569 125 I HA 0.340 4.510 4.170 -0.000 0.000 0.296 125 I C -0.876 175.281 176.117 0.066 0.000 1.028 125 I CA -0.346 60.946 61.300 -0.013 0.000 1.082 125 I CB 1.578 39.571 38.000 -0.011 0.000 1.264 125 I HN 0.274 nan 8.210 nan 0.000 0.429 126 T N 7.059 121.597 114.554 -0.026 0.000 2.812 126 T HA 0.499 4.849 4.350 -0.000 0.000 0.282 126 T C -0.926 173.697 174.700 -0.128 0.000 0.990 126 T CA -0.108 62.037 62.100 0.074 0.000 0.960 126 T CB 0.699 69.678 68.868 0.186 0.000 0.948 126 T HN 0.260 nan 8.240 nan 0.000 0.438 127 F N 2.986 122.904 119.950 -0.054 0.000 2.375 127 F HA 0.534 5.061 4.527 -0.000 0.000 0.361 127 F C 0.072 175.935 175.800 0.106 0.000 1.117 127 F CA -0.952 56.945 58.000 -0.171 0.000 1.037 127 F CB 0.755 39.314 39.000 -0.734 0.000 1.192 127 F HN 0.375 nan 8.300 nan 0.000 0.452 128 I N 3.936 124.733 120.570 0.378 0.000 2.331 128 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 128 I C 0.484 177.007 176.117 0.676 0.000 0.998 128 I CA -0.645 60.919 61.300 0.440 0.000 1.267 128 I CB 1.047 39.237 38.000 0.318 0.000 1.386 128 I HN 0.451 nan 8.210 nan 0.000 0.476 129 R N 4.943 125.817 120.500 0.624 0.000 2.446 129 R HA 0.198 4.537 4.340 -0.000 0.000 0.325 129 R C 0.122 176.521 176.300 0.165 0.000 0.997 129 R CA 0.046 56.346 56.100 0.332 0.000 1.010 129 R CB 0.143 30.599 30.300 0.259 0.000 0.946 129 R HN 0.910 nan 8.270 nan 0.000 0.422 130 G N 2.203 111.051 108.800 0.080 0.000 2.511 130 G HA2 0.049 4.009 3.960 -0.000 0.000 0.316 130 G HA3 0.049 4.009 3.960 -0.000 0.000 0.316 130 G C 0.130 175.017 174.900 -0.022 0.000 1.210 130 G CA -0.573 44.559 45.100 0.054 0.000 0.969 130 G HN 0.590 nan 8.290 nan 0.000 0.492 131 D N -0.523 119.870 120.400 -0.011 0.000 2.178 131 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 131 D C 2.489 178.753 176.300 -0.061 0.000 0.980 131 D CA 1.915 55.896 54.000 -0.031 0.000 0.842 131 D CB 0.222 41.013 40.800 -0.016 0.000 0.948 131 D HN 0.378 nan 8.370 nan 0.000 0.472 132 S N -1.655 114.005 115.700 -0.065 0.000 2.578 132 S HA 0.484 4.954 4.470 -0.000 0.000 0.228 132 S C 0.820 175.350 174.600 -0.117 0.000 1.022 132 S CA 0.257 58.411 58.200 -0.076 0.000 0.967 132 S CB 1.596 64.769 63.200 -0.044 0.000 0.914 132 S HN 0.271 nan 8.310 nan 0.000 0.515 133 G N -0.099 108.607 108.800 -0.156 0.000 2.428 133 G HA2 0.427 4.387 3.960 -0.000 0.000 0.305 133 G HA3 0.427 4.387 3.960 -0.000 0.000 0.305 133 G C -2.131 172.620 174.900 -0.247 0.000 1.260 133 G CA -1.105 43.855 45.100 -0.234 0.000 0.853 133 G HN 0.285 nan 8.290 nan 0.000 0.480 134 W N -0.073 121.288 121.300 0.101 0.000 2.365 134 W HA 0.671 5.331 4.660 -0.000 0.000 0.316 134 W C -0.069 176.472 176.519 0.038 0.000 1.164 134 W CA -0.615 56.803 57.345 0.123 0.000 1.204 134 W CB 1.471 31.045 29.460 0.189 0.000 1.213 134 W HN 0.188 nan 8.180 nan 0.000 0.539 135 I N 3.395 124.194 120.570 0.382 0.000 2.331 135 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 135 I C -0.257 175.911 176.117 0.085 0.000 0.998 135 I CA -0.617 60.789 61.300 0.177 0.000 1.267 135 I CB 0.799 38.917 38.000 0.197 0.000 1.386 135 I HN 0.000 nan 8.210 nan 0.000 0.476 136 V N 7.380 127.221 119.914 -0.120 0.000 2.398 136 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 136 V C -0.045 175.926 176.094 -0.205 0.000 1.026 136 V CA -0.743 61.336 62.300 -0.369 0.000 0.868 136 V CB 1.869 33.331 31.823 -0.601 0.000 0.982 136 V HN 0.369 nan 8.190 nan 0.000 0.443 137 V N 5.290 125.125 119.914 -0.132 0.000 2.383 137 V HA 0.456 4.576 4.120 -0.000 0.000 0.275 137 V C -0.249 175.827 176.094 -0.030 0.000 1.036 137 V CA -0.203 62.086 62.300 -0.018 0.000 0.889 137 V CB 0.866 32.744 31.823 0.093 0.000 0.985 137 V HN 1.081 nan 8.190 nan 0.000 0.459 138 D N 2.826 123.251 120.400 0.041 0.000 10.890 138 D HA -0.161 4.479 4.640 -0.000 0.000 0.359 138 D C 0.483 176.776 176.300 -0.011 0.000 3.118 138 D CA 1.288 55.346 54.000 0.097 0.000 2.613 138 D CB -0.231 40.638 40.800 0.115 0.000 1.178 138 D HN 0.928 nan 8.370 nan 0.000 0.941 139 T N -2.126 112.431 114.554 0.006 0.000 3.399 139 T HA 0.503 4.853 4.350 -0.000 0.000 0.305 139 T C 1.054 175.717 174.700 -0.062 0.000 0.983 139 T CA 0.335 62.426 62.100 -0.016 0.000 0.967 139 T CB -0.271 68.645 68.868 0.080 0.000 1.186 139 T HN 0.629 nan 8.240 nan 0.000 0.504 140 L N -0.269 120.874 121.223 -0.133 0.000 5.820 140 L HA -0.284 4.056 4.340 -0.000 0.000 0.267 140 L C 1.665 178.419 176.870 -0.193 0.000 1.167 140 L CA 1.033 55.762 54.840 -0.185 0.000 1.356 140 L CB -1.598 40.376 42.059 -0.142 0.000 2.143 140 L HN 0.346 nan 8.230 nan 0.000 0.883 141 T N -2.446 111.994 114.554 -0.189 0.000 2.978 141 T HA 0.026 4.376 4.350 -0.000 0.000 0.262 141 T C 0.536 175.159 174.700 -0.128 0.000 1.063 141 T CA 1.708 63.698 62.100 -0.182 0.000 1.140 141 T CB 0.046 68.820 68.868 -0.156 0.000 0.886 141 T HN 0.628 nan 8.240 nan 0.000 0.470 142 T N -0.118 114.390 114.554 -0.077 0.000 2.932 142 T HA 0.346 4.696 4.350 -0.000 0.000 0.318 142 T C -2.444 172.257 174.700 0.001 0.000 1.265 142 T CA -1.506 60.577 62.100 -0.029 0.000 1.036 142 T CB 1.819 70.676 68.868 -0.019 0.000 1.209 142 T HN -0.305 nan 8.240 nan 0.000 0.484 143 P HA -0.054 nan 4.420 nan 0.000 0.216 143 P C 1.310 178.646 177.300 0.060 0.000 1.153 143 P CA 1.650 64.779 63.100 0.049 0.000 0.858 143 P CB 0.060 31.793 31.700 0.054 0.000 0.789 144 A N -0.653 122.200 122.820 0.056 0.000 1.978 144 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 144 A C 2.168 179.807 177.584 0.091 0.000 1.170 144 A CA 2.514 54.595 52.037 0.074 0.000 0.636 144 A CB -1.891 17.150 19.000 0.069 0.000 0.810 144 A HN 0.361 nan 8.150 nan 0.000 0.448 145 T N -2.799 111.792 114.554 0.062 0.000 2.978 145 T HA 0.292 4.642 4.350 -0.000 0.000 0.262 145 T C 1.959 176.732 174.700 0.122 0.000 1.063 145 T CA 1.163 63.310 62.100 0.079 0.000 1.140 145 T CB -0.400 68.428 68.868 -0.067 0.000 0.886 145 T HN 0.495 nan 8.240 nan 0.000 0.470 146 A N 2.449 125.314 122.820 0.076 0.000 1.858 146 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 146 A C 2.477 180.161 177.584 0.166 0.000 1.190 146 A CA 1.978 54.070 52.037 0.092 0.000 0.617 146 A CB -0.860 18.177 19.000 0.061 0.000 0.827 146 A HN 0.477 nan 8.150 nan 0.000 0.443 147 R N -0.171 120.429 120.500 0.166 0.000 2.103 147 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 147 R C 2.130 178.544 176.300 0.191 0.000 1.142 147 R CA 1.966 58.187 56.100 0.202 0.000 0.960 147 R CB -0.542 29.846 30.300 0.146 0.000 0.858 147 R HN 0.443 nan 8.270 nan 0.000 0.439 148 A N 0.055 122.992 122.820 0.195 0.000 1.897 148 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 148 A C 2.368 180.064 177.584 0.187 0.000 1.181 148 A CA 1.328 53.515 52.037 0.250 0.000 0.620 148 A CB -0.927 18.280 19.000 0.345 0.000 0.821 148 A HN 0.498 nan 8.150 nan 0.000 0.443 149 A N -1.115 121.727 122.820 0.038 0.000 1.892 149 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 149 A C 2.175 179.656 177.584 -0.172 0.000 1.188 149 A CA 1.897 53.727 52.037 -0.345 0.000 0.631 149 A CB -0.878 17.998 19.000 -0.207 0.000 0.822 149 A HN 0.678 nan 8.150 nan 0.000 0.447 150 Y N 0.883 121.122 120.300 -0.102 0.000 2.181 150 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 150 Y C 2.170 177.983 175.900 -0.145 0.000 1.146 150 Y CA 1.778 59.808 58.100 -0.117 0.000 1.164 150 Y CB -0.809 37.711 38.460 0.101 0.000 0.982 150 Y HN 0.540 nan 8.280 nan 0.000 0.515 151 E N -0.432 119.721 120.200 -0.079 0.000 2.097 151 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 151 E C 2.091 178.612 176.600 -0.130 0.000 1.000 151 E CA 1.488 57.805 56.400 -0.138 0.000 0.804 151 E CB -0.402 29.277 29.700 -0.034 0.000 0.740 151 E HN 0.399 nan 8.360 nan 0.000 0.454 152 L N 0.252 121.403 121.223 -0.120 0.000 2.044 152 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 152 L C 2.206 178.943 176.870 -0.222 0.000 1.075 152 L CA 1.262 56.024 54.840 -0.130 0.000 0.747 152 L CB -0.394 41.589 42.059 -0.127 0.000 0.903 152 L HN -0.058 nan 8.230 nan 0.000 0.435 153 V N -0.393 119.305 119.914 -0.361 0.000 2.282 153 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 153 V C 2.582 178.533 176.094 -0.238 0.000 1.057 153 V CA 2.156 64.175 62.300 -0.469 0.000 1.032 153 V CB -0.795 30.427 31.823 -1.001 0.000 0.645 153 V HN 0.563 nan 8.190 nan 0.000 0.447 154 S N -1.073 114.519 115.700 -0.182 0.000 2.453 154 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 154 S C 1.990 176.535 174.600 -0.091 0.000 1.005 154 S CA 0.933 59.072 58.200 -0.102 0.000 0.949 154 S CB -0.208 62.865 63.200 -0.211 0.000 0.774 154 S HN 0.558 nan 8.310 nan 0.000 0.510 155 R N 0.723 121.160 120.500 -0.105 0.000 2.127 155 R HA 0.119 4.459 4.340 -0.000 0.000 0.217 155 R C 1.738 177.994 176.300 -0.073 0.000 1.074 155 R CA 0.733 56.789 56.100 -0.074 0.000 0.991 155 R CB 0.017 30.282 30.300 -0.057 0.000 0.895 155 R HN 0.293 nan 8.270 nan 0.000 0.450 156 E N 0.179 120.317 120.200 -0.102 0.000 2.307 156 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 156 E C 1.572 178.111 176.600 -0.102 0.000 0.975 156 E CA 0.704 57.041 56.400 -0.104 0.000 0.878 156 E CB 0.539 30.158 29.700 -0.135 0.000 0.845 156 E HN 0.285 nan 8.360 nan 0.000 0.488 157 L N -0.777 120.383 121.223 -0.104 0.000 2.817 157 L HA 0.355 4.695 4.340 -0.000 0.000 0.248 157 L C 0.482 177.354 176.870 0.003 0.000 1.133 157 L CA 0.081 54.876 54.840 -0.075 0.000 0.935 157 L CB 0.947 42.920 42.059 -0.144 0.000 1.266 157 L HN 0.020 nan 8.230 nan 0.000 0.535 158 G N 1.803 110.604 108.800 0.002 0.000 3.067 158 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 158 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 158 G C -0.563 174.374 174.900 0.060 0.000 1.119 158 G CA -0.728 44.377 45.100 0.009 0.000 0.790 158 G HN 0.205 nan 8.290 nan 0.000 0.605 159 E N 2.114 122.331 120.200 0.028 0.000 2.366 159 E HA 0.391 4.741 4.350 -0.000 0.000 0.266 159 E C 0.463 177.103 176.600 0.066 0.000 1.015 159 E CA -0.017 56.416 56.400 0.055 0.000 0.906 159 E CB 0.398 30.090 29.700 -0.013 0.000 0.979 159 E HN 0.529 nan 8.360 nan 0.000 0.443 160 R N 4.663 125.263 120.500 0.166 0.000 2.795 160 R HA 0.441 4.781 4.340 -0.000 0.000 0.275 160 R C -2.392 174.032 176.300 0.207 0.000 0.981 160 R CA -2.124 53.971 56.100 -0.008 0.000 0.917 160 R CB 1.681 31.664 30.300 -0.529 0.000 1.202 160 R HN 0.541 nan 8.270 nan 0.000 0.469 161 P HA 0.212 nan 4.420 nan 0.000 0.274 161 P C -0.386 177.030 177.300 0.193 0.000 1.237 161 P CA -0.192 63.018 63.100 0.183 0.000 0.793 161 P CB 0.768 32.517 31.700 0.082 0.000 0.977 162 I N 2.725 123.399 120.570 0.173 0.000 2.315 162 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 162 I C 1.729 177.872 176.117 0.043 0.000 1.006 162 I CA -0.539 60.828 61.300 0.112 0.000 1.265 162 I CB 1.284 39.261 38.000 -0.039 0.000 1.387 162 I HN 0.230 nan 8.210 nan 0.000 0.475 163 R N 2.965 123.485 120.500 0.033 0.000 2.195 163 R HA 0.209 4.549 4.340 -0.000 0.000 0.197 163 R C -0.037 176.233 176.300 -0.050 0.000 0.990 163 R CA 0.549 56.644 56.100 -0.009 0.000 1.048 163 R CB 0.284 30.579 30.300 -0.008 0.000 0.997 163 R HN 0.479 nan 8.270 nan 0.000 0.502 164 T N 1.565 116.082 114.554 -0.061 0.000 2.879 164 T HA 0.391 4.741 4.350 -0.000 0.000 0.290 164 T C -0.653 173.950 174.700 -0.162 0.000 0.993 164 T CA -0.398 61.625 62.100 -0.128 0.000 0.975 164 T CB 2.906 71.681 68.868 -0.155 0.000 0.981 164 T HN -0.258 nan 8.240 nan 0.000 0.439 165 V N 4.671 124.451 119.914 -0.223 0.000 2.472 165 V HA 0.558 4.678 4.120 -0.000 0.000 0.290 165 V C -0.184 175.684 176.094 -0.377 0.000 1.037 165 V CA -0.729 61.405 62.300 -0.278 0.000 0.908 165 V CB 1.511 33.163 31.823 -0.284 0.000 0.985 165 V HN 0.778 nan 8.190 nan 0.000 0.454 166 I N 4.388 124.777 120.570 -0.300 0.000 2.436 166 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 166 I C -1.307 174.704 176.117 -0.177 0.000 1.010 166 I CA -0.679 60.447 61.300 -0.289 0.000 1.098 166 I CB 1.818 39.754 38.000 -0.107 0.000 1.266 166 I HN 0.474 nan 8.210 nan 0.000 0.434 167 Y N 4.258 124.454 120.300 -0.173 0.000 2.367 167 Y HA 0.134 4.684 4.550 -0.000 0.000 0.342 167 Y C 1.531 177.431 175.900 0.001 0.000 0.979 167 Y CA -1.206 56.839 58.100 -0.093 0.000 1.161 167 Y CB 1.454 39.744 38.460 -0.283 0.000 1.155 167 Y HN 0.628 nan 8.280 nan 0.000 0.503 168 S N 1.834 117.705 115.700 0.285 0.000 2.489 168 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 168 S C 0.264 175.057 174.600 0.322 0.000 0.995 168 S CA 1.065 59.421 58.200 0.260 0.000 0.934 168 S CB -0.440 62.913 63.200 0.256 0.000 0.771 168 S HN 0.837 nan 8.310 nan 0.000 0.522 169 H N -2.338 116.795 119.070 0.105 0.000 3.005 169 H HA 0.475 5.031 4.556 -0.000 0.000 0.311 169 H C -0.990 174.434 175.328 0.160 0.000 1.366 169 H CA -0.449 55.636 56.048 0.061 0.000 1.210 169 H CB 0.865 30.558 29.762 -0.115 0.000 1.894 169 H HN 0.063 nan 8.280 nan 0.000 0.520 170 A N 2.047 124.886 122.820 0.033 0.000 2.958 170 A HA 0.177 4.496 4.320 -0.000 0.000 0.247 170 A C -0.465 176.999 177.584 -0.199 0.000 1.679 170 A CA 0.065 52.006 52.037 -0.161 0.000 1.345 170 A CB -1.630 17.110 19.000 -0.434 0.000 1.013 170 A HN 0.597 nan 8.150 nan 0.000 0.641 171 H N -1.307 117.726 119.070 -0.062 0.000 2.572 171 H HA 0.472 5.028 4.556 -0.000 0.000 0.359 171 H C 1.389 176.436 175.328 -0.469 0.000 1.134 171 H CA -0.352 55.640 56.048 -0.093 0.000 1.187 171 H CB 1.931 31.617 29.762 -0.127 0.000 1.597 171 H HN 0.322 nan 8.280 nan 0.000 0.524 172 A N 2.043 124.496 122.820 -0.612 0.000 1.985 172 A HA -0.275 4.045 4.320 -0.000 0.000 0.223 172 A C 1.717 178.906 177.584 -0.657 0.000 1.189 172 A CA 2.252 53.644 52.037 -1.076 0.000 0.658 172 A CB -0.437 18.316 19.000 -0.412 0.000 0.820 172 A HN 0.912 nan 8.150 nan 0.000 0.464 173 D N -2.257 117.979 120.400 -0.273 0.000 2.336 173 D HA -0.055 4.585 4.640 -0.000 0.000 0.229 173 D C 1.042 177.085 176.300 -0.429 0.000 1.061 173 D CA 0.630 54.483 54.000 -0.245 0.000 0.875 173 D CB -0.588 40.151 40.800 -0.100 0.000 0.904 173 D HN 0.757 nan 8.370 nan 0.000 0.525 174 H N -0.615 118.272 119.070 -0.304 0.000 2.800 174 H HA 0.104 4.660 4.556 -0.000 0.000 0.257 174 H C 1.115 176.366 175.328 -0.128 0.000 0.967 174 H CA 0.332 56.273 56.048 -0.180 0.000 1.192 174 H CB 0.203 29.870 29.762 -0.158 0.000 1.441 174 H HN 0.239 nan 8.280 nan 0.000 0.461 175 F N -0.338 119.555 119.950 -0.095 0.000 2.721 175 F HA 0.468 4.995 4.527 -0.000 0.000 0.301 175 F C 2.070 177.812 175.800 -0.096 0.000 1.096 175 F CA 0.122 57.954 58.000 -0.281 0.000 1.308 175 F CB -0.355 38.246 39.000 -0.666 0.000 1.086 175 F HN -0.103 nan 8.300 nan 0.000 0.587 176 G N 1.073 109.650 108.800 -0.371 0.000 2.442 176 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.219 176 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.219 176 G C 1.611 176.495 174.900 -0.027 0.000 1.141 176 G CA 0.686 45.664 45.100 -0.203 0.000 0.763 176 G HN 0.564 nan 8.290 nan 0.000 0.554 177 G N -0.368 108.417 108.800 -0.025 0.000 3.434 177 G HA2 0.248 4.208 3.960 -0.000 0.000 0.258 177 G HA3 0.248 4.208 3.960 -0.000 0.000 0.258 177 G C 1.248 176.184 174.900 0.059 0.000 1.128 177 G CA 0.500 45.610 45.100 0.015 0.000 0.792 177 G HN 0.255 nan 8.290 nan 0.000 0.539 178 V N 1.024 121.004 119.914 0.111 0.000 2.278 178 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 178 V C 2.790 178.938 176.094 0.089 0.000 1.062 178 V CA 2.209 64.588 62.300 0.132 0.000 1.038 178 V CB -0.261 31.711 31.823 0.249 0.000 0.646 178 V HN 0.494 nan 8.190 nan 0.000 0.447 179 R N -0.217 120.337 120.500 0.089 0.000 2.241 179 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 179 R C 2.176 178.520 176.300 0.073 0.000 1.101 179 R CA 0.983 57.127 56.100 0.073 0.000 0.995 179 R CB -0.685 29.656 30.300 0.068 0.000 0.870 179 R HN 0.655 nan 8.270 nan 0.000 0.463 180 G N 0.155 109.000 108.800 0.076 0.000 2.534 180 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 180 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 180 G C 1.247 176.217 174.900 0.117 0.000 1.128 180 G CA 0.269 45.425 45.100 0.093 0.000 0.784 180 G HN 0.167 nan 8.290 nan 0.000 0.542 181 L N -0.622 120.648 121.223 0.077 0.000 2.445 181 L HA 0.299 4.639 4.340 -0.000 0.000 0.207 181 L C 0.564 177.457 176.870 0.039 0.000 1.053 181 L CA 0.121 54.983 54.840 0.036 0.000 0.841 181 L CB 0.505 42.518 42.059 -0.077 0.000 1.074 181 L HN 0.130 nan 8.230 nan 0.000 0.479 182 V N -2.538 117.397 119.914 0.035 0.000 3.078 182 V HA 0.519 4.639 4.120 -0.000 0.000 0.311 182 V C -1.067 175.052 176.094 0.041 0.000 1.138 182 V CA -0.819 61.501 62.300 0.033 0.000 1.007 182 V CB 1.978 33.797 31.823 -0.006 0.000 1.045 182 V HN 0.298 nan 8.190 nan 0.000 0.432 183 E N 2.615 122.837 120.200 0.037 0.000 2.202 183 E HA 0.560 4.910 4.350 -0.000 0.000 0.272 183 E C -2.294 174.319 176.600 0.022 0.000 0.951 183 E CA -1.983 54.437 56.400 0.034 0.000 0.813 183 E CB 2.047 31.769 29.700 0.038 0.000 1.151 183 E HN 0.397 nan 8.360 nan 0.000 0.398 184 P HA -0.319 nan 4.420 nan 0.000 0.218 184 P C 1.433 178.738 177.300 0.007 0.000 1.154 184 P CA 1.506 64.614 63.100 0.013 0.000 0.872 184 P CB 0.015 31.725 31.700 0.016 0.000 0.790 185 Q N 0.187 119.994 119.800 0.011 0.000 2.197 185 Q HA -0.255 4.085 4.340 -0.000 0.000 0.207 185 Q C 2.000 178.003 176.000 0.005 0.000 0.984 185 Q CA 1.881 57.689 55.803 0.009 0.000 0.869 185 Q CB -0.438 28.308 28.738 0.013 0.000 0.906 185 Q HN 0.404 nan 8.270 nan 0.000 0.426 186 Q N -0.771 119.033 119.800 0.006 0.000 2.137 186 Q HA -0.031 4.309 4.340 -0.000 0.000 0.198 186 Q C 2.245 178.237 176.000 -0.012 0.000 0.960 186 Q CA 1.149 56.953 55.803 0.001 0.000 0.847 186 Q CB 0.316 29.058 28.738 0.008 0.000 0.915 186 Q HN 0.205 nan 8.270 nan 0.000 0.448 187 V N 0.817 120.721 119.914 -0.016 0.000 2.307 187 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 187 V C 2.229 178.308 176.094 -0.025 0.000 1.045 187 V CA 1.838 64.120 62.300 -0.030 0.000 1.024 187 V CB -0.869 30.934 31.823 -0.033 0.000 0.651 187 V HN 0.382 nan 8.190 nan 0.000 0.449 188 A N 0.820 123.631 122.820 -0.014 0.000 1.877 188 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 188 A C 2.547 180.124 177.584 -0.012 0.000 1.186 188 A CA 2.384 54.414 52.037 -0.012 0.000 0.620 188 A CB -0.923 18.074 19.000 -0.005 0.000 0.822 188 A HN 0.693 nan 8.150 nan 0.000 0.443 189 S N -1.548 114.146 115.700 -0.009 0.000 2.469 189 S HA 0.229 4.699 4.470 -0.000 0.000 0.238 189 S C 1.601 176.192 174.600 -0.015 0.000 0.998 189 S CA 1.505 59.699 58.200 -0.009 0.000 0.957 189 S CB -0.605 62.592 63.200 -0.005 0.000 0.764 189 S HN 2.086 nan 8.310 nan 0.000 0.514 190 G N 0.261 109.048 108.800 -0.021 0.000 2.175 190 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 190 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 190 G C 0.952 175.835 174.900 -0.028 0.000 0.982 190 G CA 0.328 45.411 45.100 -0.028 0.000 0.641 190 G HN 1.272 nan 8.290 nan 0.000 0.527 191 A N -0.972 121.836 122.820 -0.020 0.000 2.019 191 A HA 0.479 4.799 4.320 -0.000 0.000 0.219 191 A C 1.171 178.740 177.584 -0.025 0.000 1.164 191 A CA 1.981 54.009 52.037 -0.016 0.000 0.644 191 A CB 0.161 19.159 19.000 -0.004 0.000 0.805 191 A HN 1.197 nan 8.150 nan 0.000 0.449 192 V N 0.463 120.354 119.914 -0.038 0.000 2.577 192 V HA 0.282 4.401 4.120 -0.000 0.000 0.303 192 V C -0.873 175.171 176.094 -0.084 0.000 1.042 192 V CA -0.789 61.476 62.300 -0.058 0.000 0.872 192 V CB 1.686 33.477 31.823 -0.053 0.000 0.998 192 V HN 0.532 nan 8.190 nan 0.000 0.423 193 Q N 4.136 123.870 119.800 -0.110 0.000 2.245 193 Q HA 0.702 5.042 4.340 -0.000 0.000 0.256 193 Q C -1.105 174.767 176.000 -0.214 0.000 0.942 193 Q CA -0.535 55.180 55.803 -0.146 0.000 0.896 193 Q CB 2.764 31.414 28.738 -0.147 0.000 1.272 193 Q HN 0.617 nan 8.270 nan 0.000 0.442 194 I N 2.858 123.271 120.570 -0.260 0.000 2.406 194 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 194 I C -0.581 175.278 176.117 -0.431 0.000 0.999 194 I CA -0.582 60.471 61.300 -0.413 0.000 1.124 194 I CB 1.269 38.999 38.000 -0.450 0.000 1.289 194 I HN 0.419 nan 8.210 nan 0.000 0.441 195 I N 5.637 125.906 120.570 -0.502 0.000 2.404 195 I HA 0.733 4.903 4.170 -0.000 0.000 0.293 195 I C -0.007 175.801 176.117 -0.515 0.000 0.992 195 I CA -0.273 60.745 61.300 -0.469 0.000 1.149 195 I CB 1.819 39.539 38.000 -0.465 0.000 1.315 195 I HN 0.667 nan 8.210 nan 0.000 0.446 196 A N 8.138 130.706 122.820 -0.419 0.000 2.593 196 A HA 0.865 5.185 4.320 -0.000 0.000 0.290 196 A C -2.868 174.607 177.584 -0.182 0.000 1.126 196 A CA -1.513 50.340 52.037 -0.307 0.000 0.695 196 A CB 1.780 20.515 19.000 -0.443 0.000 1.290 196 A HN 0.376 nan 8.150 nan 0.000 0.414 197 P HA 0.342 nan 4.420 nan 0.000 0.271 197 P C 0.149 177.463 177.300 0.024 0.000 1.216 197 P CA 0.393 63.484 63.100 -0.015 0.000 0.776 197 P CB 0.623 32.353 31.700 0.051 0.000 0.881 198 A N 2.628 125.442 122.820 -0.011 0.000 2.587 198 A HA 0.332 4.652 4.320 -0.000 0.000 0.233 198 A C 1.588 179.182 177.584 0.018 0.000 1.049 198 A CA 0.944 52.980 52.037 -0.001 0.000 0.754 198 A CB -1.516 17.474 19.000 -0.016 0.000 0.977 198 A HN 0.922 nan 8.150 nan 0.000 0.509 199 G N 0.593 109.404 108.800 0.019 0.000 2.162 199 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 199 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 199 G C 0.263 175.158 174.900 -0.008 0.000 0.976 199 G CA 0.505 45.600 45.100 -0.008 0.000 0.655 199 G HN 1.555 nan 8.290 nan 0.000 0.533 203 A N 0.651 123.313 122.820 -0.264 0.000 2.252 203 A HA 0.633 4.953 4.320 -0.000 0.000 0.213 203 A C 2.020 179.397 177.584 -0.344 0.000 1.188 203 A CA 0.944 52.822 52.037 -0.264 0.000 0.863 203 A CB -0.102 18.756 19.000 -0.236 0.000 0.893 203 A HN 0.186 nan 8.150 nan 0.000 0.495 204 A N -0.100 122.388 122.820 -0.553 0.000 1.933 204 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 204 A C 0.995 178.423 177.584 -0.259 0.000 1.175 204 A CA 1.073 52.730 52.037 -0.632 0.000 0.628 204 A CB -0.299 17.988 19.000 -1.188 0.000 0.814 204 A HN 0.403 nan 8.150 nan 0.000 0.444 210 L N 1.054 122.288 121.223 0.018 0.000 2.376 210 L HA 0.194 4.534 4.340 -0.000 0.000 0.219 210 L C 1.619 178.572 176.870 0.137 0.000 1.133 210 L CA 1.582 56.517 54.840 0.158 0.000 0.816 210 L CB -0.165 41.982 42.059 0.146 0.000 0.933 210 L HN 0.448 nan 8.230 nan 0.000 0.449 211 A N -0.629 122.225 122.820 0.056 0.000 2.701 211 A HA 0.423 4.743 4.320 -0.000 0.000 0.297 211 A C 1.731 179.318 177.584 0.006 0.000 1.197 211 A CA 0.298 52.344 52.037 0.015 0.000 0.963 211 A CB -0.257 18.741 19.000 -0.003 0.000 1.175 211 A HN 0.299 nan 8.150 nan 0.000 0.531 212 G N 0.881 109.696 108.800 0.025 0.000 2.440 212 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.218 212 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.218 212 G C 1.380 176.304 174.900 0.040 0.000 1.154 212 G CA 1.343 46.452 45.100 0.015 0.000 0.767 212 G HN 0.592 nan 8.290 nan 0.000 0.552 213 N N 0.904 119.646 118.700 0.070 0.000 2.166 213 N HA 0.093 4.833 4.740 -0.000 0.000 0.186 213 N C 1.486 176.985 175.510 -0.018 0.000 1.019 213 N CA 0.909 53.997 53.050 0.063 0.000 0.856 213 N CB -0.281 38.280 38.487 0.123 0.000 0.993 213 N HN 0.383 nan 8.380 nan 0.000 0.426 218 R N 0.626 120.914 120.500 -0.352 0.000 2.120 218 R HA 0.117 4.457 4.340 -0.000 0.000 0.234 218 R C 1.886 178.128 176.300 -0.097 0.000 1.123 218 R CA 1.640 57.598 56.100 -0.237 0.000 0.975 218 R CB -0.290 29.923 30.300 -0.146 0.000 0.866 218 R HN 0.308 nan 8.270 nan 0.000 0.446 219 A N 0.809 123.621 122.820 -0.013 0.000 2.121 219 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 219 A C 2.146 179.879 177.584 0.247 0.000 1.154 219 A CA 1.637 53.773 52.037 0.166 0.000 0.679 219 A CB -0.790 18.356 19.000 0.244 0.000 0.795 219 A HN 0.498 nan 8.150 nan 0.000 0.458 220 T N -3.672 110.980 114.554 0.164 0.000 2.881 220 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 220 T C 1.694 176.592 174.700 0.331 0.000 1.068 220 T CA 1.466 63.720 62.100 0.257 0.000 1.131 220 T CB -0.594 68.430 68.868 0.260 0.000 0.871 220 T HN 0.580 nan 8.240 nan 0.000 0.479 221 Y N 1.259 121.581 120.300 0.036 0.000 2.153 221 Y HA -0.050 4.500 4.550 -0.000 0.000 0.289 221 Y C 3.254 179.147 175.900 -0.011 0.000 1.119 221 Y CA 0.531 58.635 58.100 0.007 0.000 1.116 221 Y CB -0.058 38.376 38.460 -0.043 0.000 1.004 221 Y HN 0.085 nan 8.280 nan 0.000 0.501 222 Q N -0.215 119.650 119.800 0.107 0.000 2.045 222 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 222 Q C 1.906 177.811 176.000 -0.159 0.000 0.991 222 Q CA 1.876 57.623 55.803 -0.093 0.000 0.851 222 Q CB -0.931 27.663 28.738 -0.240 0.000 0.911 222 Q HN 0.618 nan 8.270 nan 0.000 0.418 223 Y N -0.519 119.837 120.300 0.094 0.000 2.519 223 Y HA 0.150 4.700 4.550 -0.000 0.000 0.287 223 Y C 1.432 177.389 175.900 0.095 0.000 1.128 223 Y CA 0.691 58.852 58.100 0.102 0.000 1.282 223 Y CB 0.058 38.576 38.460 0.098 0.000 1.027 223 Y HN 0.333 nan 8.280 nan 0.000 0.551 224 G N 0.532 109.444 108.800 0.186 0.000 2.272 224 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.280 224 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.280 224 G C 1.056 176.018 174.900 0.103 0.000 1.067 224 G CA 0.647 45.810 45.100 0.105 0.000 0.902 224 G HN 0.477 nan 8.290 nan 0.000 0.500 225 T N -3.397 111.244 114.554 0.145 0.000 3.007 225 T HA -0.029 4.321 4.350 -0.000 0.000 0.270 225 T C 1.718 176.448 174.700 0.050 0.000 1.107 225 T CA 1.951 64.127 62.100 0.127 0.000 1.118 225 T CB -0.025 68.943 68.868 0.168 0.000 0.889 225 T HN 0.561 nan 8.240 nan 0.000 0.506 226 Q N 0.189 119.965 119.800 -0.041 0.000 2.219 226 Q HA 0.435 4.775 4.340 -0.000 0.000 0.209 226 Q C -0.188 175.611 176.000 -0.336 0.000 0.854 226 Q CA -0.280 55.383 55.803 -0.233 0.000 0.960 226 Q CB 0.418 28.870 28.738 -0.477 0.000 1.116 226 Q HN 0.521 nan 8.270 nan 0.000 0.500 227 L N 2.229 123.354 121.223 -0.164 0.000 2.357 227 L HA 0.406 4.745 4.340 -0.000 0.000 0.273 227 L C -1.953 174.897 176.870 -0.034 0.000 1.080 227 L CA -2.184 52.602 54.840 -0.090 0.000 0.803 227 L CB 0.142 42.197 42.059 -0.006 0.000 1.174 227 L HN -0.053 nan 8.230 nan 0.000 0.443 228 P HA 0.130 nan 4.420 nan 0.000 0.274 228 P C -1.250 176.037 177.300 -0.021 0.000 1.237 228 P CA -0.531 62.555 63.100 -0.023 0.000 0.793 228 P CB 0.468 32.156 31.700 -0.020 0.000 0.977 229 K N 1.045 121.411 120.400 -0.056 0.000 2.379 229 K HA 0.563 4.883 4.320 -0.000 0.000 0.284 229 K C 0.601 177.178 176.600 -0.040 0.000 1.044 229 K CA -0.046 56.227 56.287 -0.025 0.000 0.974 229 K CB 0.285 32.636 32.500 -0.249 0.000 0.962 229 K HN 0.836 nan 8.250 nan 0.000 0.474 230 G N 2.650 111.389 108.800 -0.103 0.000 2.328 230 G HA2 0.059 4.019 3.960 -0.000 0.000 0.299 230 G HA3 0.059 4.019 3.960 -0.000 0.000 0.299 230 G C -2.783 171.726 174.900 -0.652 0.000 1.435 230 G CA -0.917 43.722 45.100 -0.768 0.000 0.865 230 G HN 0.227 nan 8.290 nan 0.000 0.601 231 P HA 0.036 nan 4.420 nan 0.000 0.234 231 P C 0.744 177.952 177.300 -0.154 0.000 1.167 231 P CA 1.035 63.934 63.100 -0.335 0.000 0.763 231 P CB 0.334 31.861 31.700 -0.288 0.000 0.835 232 Q N -1.069 118.664 119.800 -0.112 0.000 2.159 232 Q HA 0.349 4.689 4.340 -0.000 0.000 0.217 232 Q C 0.877 176.964 176.000 0.147 0.000 0.818 232 Q CA -0.271 55.575 55.803 0.072 0.000 1.008 232 Q CB 1.066 29.848 28.738 0.074 0.000 1.148 232 Q HN 0.174 nan 8.270 nan 0.000 0.491 233 G N -0.621 108.230 108.800 0.085 0.000 3.214 233 G HA2 0.122 4.082 3.960 -0.000 0.000 0.188 233 G HA3 0.122 4.082 3.960 -0.000 0.000 0.188 233 G C -1.032 173.956 174.900 0.148 0.000 1.126 233 G CA -0.381 44.783 45.100 0.107 0.000 0.796 233 G HN -0.031 nan 8.290 nan 0.000 0.631 234 Q N 0.354 120.243 119.800 0.149 0.000 2.330 234 Q HA 0.202 4.542 4.340 -0.000 0.000 0.279 234 Q C 0.948 177.156 176.000 0.346 0.000 1.024 234 Q CA 0.542 56.475 55.803 0.217 0.000 0.900 234 Q CB 1.447 30.301 28.738 0.194 0.000 1.221 234 Q HN 0.762 nan 8.270 nan 0.000 0.396 235 V N 0.032 120.162 119.914 0.360 0.000 3.426 235 V HA 0.437 4.557 4.120 -0.000 0.000 0.279 235 V C 0.053 176.270 176.094 0.205 0.000 1.544 235 V CA 0.484 63.048 62.300 0.441 0.000 1.017 235 V CB 1.080 33.125 31.823 0.369 0.000 0.821 235 V HN 0.677 nan 8.190 nan 0.000 0.432 239 I N -1.431 119.057 120.570 -0.136 0.000 3.578 239 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 239 I C 0.796 176.898 176.117 -0.024 0.000 1.280 239 I CA 0.726 61.885 61.300 -0.236 0.000 1.347 239 I CB 0.355 37.917 38.000 -0.730 0.000 1.051 239 I HN 0.645 nan 8.210 nan 0.000 0.460 240 G N 0.548 109.380 108.800 0.055 0.000 2.488 240 G HA2 0.229 4.189 3.960 -0.000 0.000 0.301 240 G HA3 0.229 4.189 3.960 -0.000 0.000 0.301 240 G C -0.374 174.621 174.900 0.158 0.000 1.339 240 G CA -0.517 44.687 45.100 0.174 0.000 0.803 240 G HN -0.228 nan 8.290 nan 0.000 0.482 241 K N -0.480 120.054 120.400 0.225 0.000 2.217 241 K HA 0.305 4.625 4.320 -0.000 0.000 0.202 241 K C 1.164 177.868 176.600 0.173 0.000 1.051 241 K CA 1.229 57.536 56.287 0.034 0.000 0.952 241 K CB -0.075 32.337 32.500 -0.147 0.000 0.736 241 K HN 1.344 nan 8.250 nan 0.000 0.453 242 G N -0.057 108.970 108.800 0.377 0.000 2.320 242 G HA2 0.248 4.208 3.960 -0.000 0.000 0.297 242 G HA3 0.248 4.208 3.960 -0.000 0.000 0.297 242 G C -2.201 173.021 174.900 0.537 0.000 1.344 242 G CA -0.944 44.405 45.100 0.415 0.000 0.851 242 G HN 0.009 nan 8.290 nan 0.000 0.567 243 L N 1.075 122.530 121.223 0.387 0.000 2.309 243 L HA 0.835 5.175 4.340 -0.000 0.000 0.282 243 L C 0.911 177.955 176.870 0.289 0.000 1.036 243 L CA -0.145 54.832 54.840 0.228 0.000 0.806 243 L CB 1.214 43.246 42.059 -0.045 0.000 1.220 243 L HN 1.316 nan 8.230 nan 0.000 0.429 244 A N 4.402 127.346 122.820 0.206 0.000 2.388 244 A HA 0.610 4.930 4.320 -0.000 0.000 0.257 244 A C -0.171 177.474 177.584 0.101 0.000 1.095 244 A CA -0.388 51.791 52.037 0.237 0.000 0.791 244 A CB 0.100 19.150 19.000 0.082 0.000 1.029 244 A HN 0.681 nan 8.150 nan 0.000 0.489 245 R N 0.599 121.166 120.500 0.112 0.000 2.229 245 R HA 0.665 5.005 4.340 -0.000 0.000 0.328 245 R C 0.396 176.719 176.300 0.037 0.000 1.009 245 R CA 0.789 56.916 56.100 0.046 0.000 0.864 245 R CB 1.387 31.710 30.300 0.038 0.000 1.085 245 R HN 1.224 nan 8.270 nan 0.000 0.453 246 G N 2.866 111.673 108.800 0.011 0.000 2.356 246 G HA2 0.343 4.303 3.960 -0.000 0.000 0.294 246 G HA3 0.343 4.303 3.960 -0.000 0.000 0.294 246 G C -2.996 171.904 174.900 -0.000 0.000 1.423 246 G CA -1.032 44.074 45.100 0.011 0.000 0.806 246 G HN 0.321 nan 8.290 nan 0.000 0.527 247 P HA 0.389 nan 4.420 nan 0.000 0.270 247 P C -0.505 176.799 177.300 0.007 0.000 1.223 247 P CA -0.442 62.662 63.100 0.008 0.000 0.785 247 P CB 0.777 32.487 31.700 0.017 0.000 0.923 248 L N 2.054 123.285 121.223 0.013 0.000 2.264 248 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 248 L C 0.071 176.983 176.870 0.070 0.000 1.044 248 L CA 0.137 54.993 54.840 0.027 0.000 0.807 248 L CB 0.420 42.496 42.059 0.028 0.000 1.192 248 L HN 0.462 nan 8.230 nan 0.000 0.425 249 S N 5.838 121.595 115.700 0.095 0.000 2.664 249 S HA 0.866 5.336 4.470 -0.000 0.000 0.304 249 S C -0.890 173.853 174.600 0.239 0.000 1.099 249 S CA -0.780 57.496 58.200 0.127 0.000 1.003 249 S CB 1.611 64.869 63.200 0.097 0.000 1.092 249 S HN 0.807 nan 8.310 nan 0.000 0.525 250 L N 1.608 122.942 121.223 0.185 0.000 2.641 250 L HA 0.493 4.833 4.340 -0.000 0.000 0.261 250 L C -2.158 174.775 176.870 0.105 0.000 0.926 250 L CA -0.589 54.343 54.840 0.154 0.000 0.917 250 L CB 1.373 43.430 42.059 -0.004 0.000 1.361 250 L HN 0.799 nan 8.230 nan 0.000 0.417 251 L N 4.336 125.655 121.223 0.159 0.000 2.356 251 L HA 0.669 5.009 4.340 -0.000 0.000 0.277 251 L C 0.513 177.463 176.870 0.134 0.000 0.996 251 L CA -0.658 54.251 54.840 0.115 0.000 0.822 251 L CB 1.957 44.071 42.059 0.091 0.000 1.256 251 L HN 0.741 nan 8.230 nan 0.000 0.413 252 A N 4.808 127.672 122.820 0.074 0.000 2.565 252 A HA 0.323 4.643 4.320 -0.000 0.000 0.237 252 A C -2.197 175.388 177.584 0.002 0.000 1.053 252 A CA -0.527 51.551 52.037 0.068 0.000 0.755 252 A CB -0.756 18.262 19.000 0.030 0.000 0.980 252 A HN 0.424 nan 8.150 nan 0.000 0.506 253 P HA 0.173 nan 4.420 nan 0.000 0.271 253 P C 0.951 178.174 177.300 -0.128 0.000 1.233 253 P CA 0.325 63.312 63.100 -0.188 0.000 0.789 253 P CB 0.449 31.994 31.700 -0.259 0.000 0.951 254 T N -2.566 111.893 114.554 -0.158 0.000 3.015 254 T HA 0.171 4.521 4.350 -0.000 0.000 0.250 254 T C 0.609 175.239 174.700 -0.118 0.000 1.057 254 T CA 0.066 62.096 62.100 -0.116 0.000 1.066 254 T CB 0.249 69.049 68.868 -0.114 0.000 0.959 254 T HN 0.349 nan 8.240 nan 0.000 0.488 255 R N 0.567 120.972 120.500 -0.158 0.000 2.538 255 R HA 0.640 4.980 4.340 -0.000 0.000 0.292 255 R C -1.743 174.444 176.300 -0.188 0.000 1.008 255 R CA -0.770 55.236 56.100 -0.156 0.000 0.896 255 R CB 1.189 31.386 30.300 -0.172 0.000 1.187 255 R HN 0.211 nan 8.270 nan 0.000 0.440 256 L N 4.716 125.853 121.223 -0.142 0.000 2.334 256 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 256 L C -0.141 176.637 176.870 -0.153 0.000 1.036 256 L CA -1.226 53.531 54.840 -0.139 0.000 0.807 256 L CB 1.661 43.676 42.059 -0.073 0.000 1.231 256 L HN 0.477 nan 8.230 nan 0.000 0.438 257 I N 2.538 122.997 120.570 -0.185 0.000 2.312 257 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 257 I C 0.373 176.455 176.117 -0.059 0.000 1.031 257 I CA -0.253 60.955 61.300 -0.153 0.000 1.293 257 I CB 0.677 38.531 38.000 -0.244 0.000 1.403 257 I HN 0.595 nan 8.210 nan 0.000 0.484 258 E N 3.685 123.870 120.200 -0.025 0.000 2.250 258 E HA 0.580 4.930 4.350 -0.000 0.000 0.269 258 E C 0.740 177.348 176.600 0.013 0.000 1.018 258 E CA -0.218 56.176 56.400 -0.008 0.000 0.873 258 E CB 1.786 31.482 29.700 -0.007 0.000 1.134 258 E HN 0.774 nan 8.360 nan 0.000 0.403 259 G N 2.348 111.152 108.800 0.007 0.000 2.574 259 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.286 259 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.286 259 G C 0.645 175.559 174.900 0.025 0.000 1.212 259 G CA 0.297 45.405 45.100 0.013 0.000 0.979 259 G HN 0.573 nan 8.290 nan 0.000 0.557 260 E N 2.018 122.243 120.200 0.041 0.000 2.371 260 E HA 0.339 4.689 4.350 -0.000 0.000 0.194 260 E C 1.332 177.999 176.600 0.111 0.000 1.012 260 E CA 1.477 57.913 56.400 0.060 0.000 0.860 260 E CB 0.328 30.062 29.700 0.056 0.000 0.811 260 E HN 1.647 nan 8.360 nan 0.000 0.502 261 G N 0.492 109.363 108.800 0.118 0.000 2.352 261 G HA2 0.168 4.128 3.960 -0.000 0.000 0.283 261 G HA3 0.168 4.128 3.960 -0.000 0.000 0.283 261 G C -1.616 173.390 174.900 0.176 0.000 1.308 261 G CA -0.562 44.645 45.100 0.178 0.000 0.892 261 G HN 0.025 nan 8.290 nan 0.000 0.504 262 E N -1.014 119.342 120.200 0.260 0.000 2.407 262 E HA 0.481 4.831 4.350 -0.000 0.000 0.279 262 E C -2.027 174.750 176.600 0.295 0.000 1.012 262 E CA -0.752 55.790 56.400 0.236 0.000 0.800 262 E CB 2.131 31.951 29.700 0.200 0.000 1.276 262 E HN 0.299 nan 8.360 nan 0.000 0.452 263 D N 2.628 123.155 120.400 0.212 0.000 2.381 263 D HA 0.399 5.039 4.640 -0.000 0.000 0.235 263 D C -0.607 175.803 176.300 0.184 0.000 1.068 263 D CA -0.102 54.006 54.000 0.180 0.000 0.832 263 D CB 1.063 41.947 40.800 0.139 0.000 1.101 263 D HN 0.290 nan 8.370 nan 0.000 0.515 264 L N 1.182 122.540 121.223 0.224 0.000 2.286 264 L HA 0.625 4.965 4.340 -0.000 0.000 0.265 264 L C -0.464 176.512 176.870 0.176 0.000 1.012 264 L CA -1.174 53.790 54.840 0.208 0.000 0.818 264 L CB 2.257 44.499 42.059 0.306 0.000 1.337 264 L HN -0.023 nan 8.230 nan 0.000 0.438 265 V N 2.300 122.292 119.914 0.129 0.000 2.540 265 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 265 V C -0.571 175.578 176.094 0.093 0.000 1.035 265 V CA -0.488 61.891 62.300 0.131 0.000 0.873 265 V CB 1.998 33.872 31.823 0.084 0.000 0.992 265 V HN 0.432 nan 8.190 nan 0.000 0.428 266 L N 3.174 124.469 121.223 0.120 0.000 2.406 266 L HA 0.553 4.893 4.340 -0.000 0.000 0.272 266 L C 0.024 176.937 176.870 0.073 0.000 0.980 266 L CA -0.621 54.234 54.840 0.024 0.000 0.831 266 L CB 1.611 43.578 42.059 -0.154 0.000 1.253 266 L HN 0.726 nan 8.230 nan 0.000 0.406 267 D N 3.038 123.458 120.400 0.034 0.000 2.701 267 D HA -0.199 4.441 4.640 -0.000 0.000 0.235 267 D C 1.144 177.474 176.300 0.050 0.000 1.155 267 D CA 1.762 55.782 54.000 0.033 0.000 0.649 267 D CB -0.542 40.277 40.800 0.032 0.000 1.050 267 D HN 1.078 nan 8.370 nan 0.000 0.425 268 G N -2.411 106.420 108.800 0.051 0.000 2.199 268 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 268 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 268 G C 0.326 175.261 174.900 0.058 0.000 0.982 268 G CA 0.183 45.309 45.100 0.043 0.000 0.632 268 G HN 0.861 nan 8.290 nan 0.000 0.529 269 V N 3.287 123.270 119.914 0.114 0.000 2.398 269 V HA 0.557 4.676 4.120 -0.000 0.000 0.286 269 V C -1.718 174.476 176.094 0.167 0.000 1.026 269 V CA -1.621 60.745 62.300 0.110 0.000 0.868 269 V CB 2.029 33.960 31.823 0.180 0.000 0.982 269 V HN 0.201 nan 8.190 nan 0.000 0.443 270 P HA 0.337 nan 4.420 nan 0.000 0.281 270 P C -1.207 176.014 177.300 -0.131 0.000 1.252 270 P CA -0.062 63.048 63.100 0.016 0.000 0.778 270 P CB 0.617 32.272 31.700 -0.074 0.000 0.895 271 F N 0.634 120.464 119.950 -0.199 0.000 2.520 271 F HA 0.356 4.883 4.527 -0.000 0.000 0.322 271 F C 0.664 176.206 175.800 -0.431 0.000 1.103 271 F CA -0.361 57.396 58.000 -0.405 0.000 0.926 271 F CB 2.301 40.970 39.000 -0.552 0.000 1.154 271 F HN 0.080 nan 8.300 nan 0.000 0.453 272 T N 3.815 118.182 114.554 -0.311 0.000 2.792 272 T HA 0.470 4.820 4.350 -0.000 0.000 0.280 272 T C -0.941 173.504 174.700 -0.425 0.000 0.990 272 T CA -0.436 61.544 62.100 -0.199 0.000 0.960 272 T CB 0.340 69.266 68.868 0.097 0.000 0.939 272 T HN 0.129 nan 8.240 nan 0.000 0.439 273 F N 2.634 122.668 119.950 0.141 0.000 2.410 273 F HA 0.423 4.950 4.527 -0.000 0.000 0.349 273 F C 0.774 176.663 175.800 0.147 0.000 1.117 273 F CA -0.876 57.193 58.000 0.115 0.000 1.104 273 F CB 1.184 40.238 39.000 0.090 0.000 1.122 273 F HN 0.340 nan 8.300 nan 0.000 0.483 274 Q N 3.763 123.753 119.800 0.318 0.000 2.357 274 Q HA 0.295 4.635 4.340 -0.000 0.000 0.266 274 Q C -1.028 175.178 176.000 0.343 0.000 1.021 274 Q CA -0.794 55.214 55.803 0.340 0.000 0.784 274 Q CB 0.861 29.845 28.738 0.410 0.000 1.243 274 Q HN 0.548 nan 8.270 nan 0.000 0.465 275 N N 1.983 120.837 118.700 0.257 0.000 2.514 275 N HA 0.119 4.859 4.740 -0.000 0.000 0.277 275 N C -0.783 174.724 175.510 -0.005 0.000 1.126 275 N CA 0.115 53.250 53.050 0.141 0.000 0.978 275 N CB 1.226 39.748 38.487 0.058 0.000 1.106 275 N HN 0.528 nan 8.380 nan 0.000 0.461 276 T N 4.134 118.491 114.554 -0.329 0.000 2.447 276 T HA -0.035 4.315 4.350 -0.000 0.000 0.224 276 T C -2.134 172.250 174.700 -0.528 0.000 1.058 276 T CA -0.160 61.359 62.100 -0.969 0.000 1.224 276 T CB -0.235 68.290 68.868 -0.571 0.000 1.029 276 T HN 0.377 nan 8.240 nan 0.000 0.475 277 P HA 0.383 nan 4.420 nan 0.000 0.278 277 P C 0.621 177.818 177.300 -0.172 0.000 1.266 277 P CA -0.535 62.445 63.100 -0.200 0.000 0.807 277 P CB 0.678 32.318 31.700 -0.101 0.000 1.094 278 G N -1.009 107.733 108.800 -0.098 0.000 3.707 278 G HA2 0.079 4.039 3.960 -0.000 0.000 0.286 278 G HA3 0.079 4.039 3.960 -0.000 0.000 0.286 278 G C 0.352 175.216 174.900 -0.060 0.000 1.112 278 G CA 0.078 45.140 45.100 -0.063 0.000 0.861 278 G HN 0.547 nan 8.290 nan 0.000 0.534 279 T N 0.438 114.943 114.554 -0.082 0.000 2.939 279 T HA 0.029 4.379 4.350 -0.000 0.000 0.319 279 T C 1.688 176.354 174.700 -0.056 0.000 1.082 279 T CA 0.415 62.471 62.100 -0.072 0.000 1.133 279 T CB 0.755 69.566 68.868 -0.094 0.000 1.019 279 T HN 0.366 nan 8.240 nan 0.000 0.548 280 E N 2.016 122.190 120.200 -0.043 0.000 2.208 280 E HA 0.082 4.432 4.350 -0.000 0.000 0.193 280 E C 1.175 177.755 176.600 -0.034 0.000 0.988 280 E CA 0.588 56.969 56.400 -0.032 0.000 0.828 280 E CB 0.124 29.808 29.700 -0.026 0.000 0.763 280 E HN 0.337 nan 8.360 nan 0.000 0.478 281 S N 1.950 117.623 115.700 -0.045 0.000 2.383 281 S HA 0.218 4.688 4.470 -0.000 0.000 0.227 281 S C -2.514 172.049 174.600 -0.061 0.000 1.261 281 S CA -1.207 56.965 58.200 -0.047 0.000 1.262 281 S CB 0.303 63.472 63.200 -0.050 0.000 0.992 281 S HN 0.083 nan 8.310 nan 0.000 0.491 282 P HA 0.083 nan 4.420 nan 0.000 0.262 282 P C 0.038 177.309 177.300 -0.048 0.000 1.182 282 P CA 0.193 63.248 63.100 -0.075 0.000 0.761 282 P CB 0.844 32.510 31.700 -0.057 0.000 0.795 283 A N 2.440 125.215 122.820 -0.074 0.000 2.387 283 A HA 0.220 4.540 4.320 -0.000 0.000 0.234 283 A C 0.656 178.252 177.584 0.019 0.000 1.253 283 A CA 0.318 52.326 52.037 -0.048 0.000 0.894 283 A CB -0.306 18.622 19.000 -0.120 0.000 0.963 283 A HN 0.652 nan 8.150 nan 0.000 0.508 287 I N 0.894 121.410 120.570 -0.090 0.000 2.468 287 I HA 0.335 4.505 4.170 -0.000 0.000 0.285 287 I C -0.974 175.007 176.117 -0.227 0.000 1.039 287 I CA -0.570 60.649 61.300 -0.135 0.000 1.074 287 I CB 2.141 40.131 38.000 -0.017 0.000 1.228 287 I HN 0.378 nan 8.210 nan 0.000 0.436 288 W N 8.753 129.684 121.300 -0.614 0.000 2.475 288 W HA 0.607 5.267 4.660 -0.000 0.000 0.317 288 W C -2.141 174.066 176.519 -0.519 0.000 1.046 288 W CA -0.850 56.106 57.345 -0.648 0.000 1.215 288 W CB 1.574 30.347 29.460 -1.144 0.000 1.335 288 W HN 0.308 nan 8.180 nan 0.000 0.471 289 L N 9.191 129.841 121.223 -0.954 0.000 2.337 289 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 289 L C -1.564 174.565 176.870 -1.235 0.000 1.018 289 L CA -1.804 52.440 54.840 -0.993 0.000 0.876 289 L CB 1.596 43.212 42.059 -0.738 0.000 1.236 289 L HN 0.242 nan 8.230 nan 0.000 0.436 290 P HA -0.104 nan 4.420 nan 0.000 0.221 290 P C 1.500 178.516 177.300 -0.474 0.000 1.150 290 P CA 0.886 63.479 63.100 -0.845 0.000 0.800 290 P CB 0.191 31.682 31.700 -0.349 0.000 0.787 291 R N 0.332 120.597 120.500 -0.391 0.000 2.066 291 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 291 R C 1.647 177.791 176.300 -0.259 0.000 1.131 291 R CA 1.573 57.522 56.100 -0.252 0.000 0.955 291 R CB -0.320 29.862 30.300 -0.197 0.000 0.851 291 R HN 0.122 nan 8.270 nan 0.000 0.432 292 Q N 0.530 120.127 119.800 -0.338 0.000 2.403 292 Q HA 0.102 4.442 4.340 -0.000 0.000 0.203 292 Q C -0.452 175.379 176.000 -0.282 0.000 0.932 292 Q CA 0.088 55.729 55.803 -0.270 0.000 0.945 292 Q CB 0.678 29.264 28.738 -0.253 0.000 1.045 292 Q HN 0.033 nan 8.270 nan 0.000 0.511 293 K N -0.250 119.878 120.400 -0.452 0.000 3.278 293 K HA -0.190 4.130 4.320 -0.000 0.000 0.270 293 K C -0.888 175.549 176.600 -0.271 0.000 0.955 293 K CA 1.021 57.035 56.287 -0.454 0.000 0.723 293 K CB -2.076 30.413 32.500 -0.018 0.000 1.382 293 K HN 0.340 nan 8.250 nan 0.000 0.461 294 A N 0.899 123.443 122.820 -0.461 0.000 2.330 294 A HA 0.641 4.961 4.320 -0.000 0.000 0.313 294 A C -0.656 176.978 177.584 0.084 0.000 1.124 294 A CA -0.817 51.166 52.037 -0.088 0.000 0.774 294 A CB 1.196 20.116 19.000 -0.132 0.000 1.198 294 A HN 0.238 nan 8.150 nan 0.000 0.465 295 L N 3.734 125.124 121.223 0.278 0.000 2.276 295 L HA 0.553 4.893 4.340 -0.000 0.000 0.286 295 L C -0.488 176.284 176.870 -0.163 0.000 1.024 295 L CA -0.212 54.737 54.840 0.182 0.000 0.826 295 L CB 0.587 42.766 42.059 0.199 0.000 1.211 295 L HN 0.772 nan 8.230 nan 0.000 0.422 299 E N 0.487 120.556 120.200 -0.219 0.000 2.404 299 E HA -0.150 4.200 4.350 -0.000 0.000 0.211 299 E C 0.586 177.165 176.600 -0.035 0.000 1.289 299 E CA 1.251 57.621 56.400 -0.050 0.000 1.015 299 E CB -0.531 29.123 29.700 -0.076 0.000 0.999 299 E HN 0.503 nan 8.360 nan 0.000 0.573 300 N N -0.597 118.077 118.700 -0.043 0.000 2.356 300 N HA 0.006 4.746 4.740 -0.000 0.000 0.178 300 N C -0.478 175.304 175.510 0.454 0.000 1.075 300 N CA 0.257 53.406 53.050 0.165 0.000 0.889 300 N CB 1.169 39.612 38.487 -0.074 0.000 0.999 300 N HN -0.026 nan 8.380 nan 0.000 0.464 301 V N 2.189 122.236 119.914 0.221 0.000 2.525 301 V HA 0.435 4.555 4.120 -0.000 0.000 0.299 301 V C -0.126 176.035 176.094 0.111 0.000 1.034 301 V CA -0.755 61.652 62.300 0.178 0.000 0.863 301 V CB 1.910 33.757 31.823 0.039 0.000 0.999 301 V HN -0.057 nan 8.190 nan 0.000 0.423 302 V N 1.359 121.354 119.914 0.135 0.000 3.202 302 V HA 0.844 4.964 4.120 -0.000 0.000 0.306 302 V C 0.689 176.781 176.094 -0.003 0.000 1.283 302 V CA -0.517 61.811 62.300 0.046 0.000 1.065 302 V CB 1.786 33.691 31.823 0.136 0.000 1.079 302 V HN 0.799 nan 8.190 nan 0.000 0.448 303 G N 0.099 108.812 108.800 -0.144 0.000 3.284 303 G HA2 0.488 4.448 3.960 -0.000 0.000 0.251 303 G HA3 0.488 4.448 3.960 -0.000 0.000 0.251 303 G C 0.172 175.165 174.900 0.155 0.000 0.913 303 G CA 0.829 45.882 45.100 -0.078 0.000 1.947 303 G HN 1.375 nan 8.290 nan 0.000 0.635 304 T N -0.388 114.279 114.554 0.190 0.000 3.013 304 T HA 0.210 4.560 4.350 -0.000 0.000 0.359 304 T C -1.104 173.670 174.700 0.123 0.000 1.845 304 T CA -0.803 61.416 62.100 0.198 0.000 1.075 304 T CB 0.417 69.435 68.868 0.250 0.000 1.727 304 T HN 0.565 nan 8.240 nan 0.000 0.503 305 L N 5.359 126.587 121.223 0.009 0.000 2.513 305 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 305 L C 0.470 177.425 176.870 0.142 0.000 1.187 305 L CA 0.349 55.177 54.840 -0.021 0.000 0.895 305 L CB 0.087 42.035 42.059 -0.185 0.000 1.147 305 L HN 0.786 nan 8.230 nan 0.000 0.483 306 H N 3.780 122.988 119.070 0.229 0.000 2.505 306 H HA 0.332 4.888 4.556 -0.000 0.000 0.358 306 H C -0.441 175.047 175.328 0.266 0.000 1.304 306 H CA -0.521 55.744 56.048 0.362 0.000 1.393 306 H CB 0.886 30.929 29.762 0.468 0.000 1.591 306 H HN 0.688 nan 8.280 nan 0.000 0.595 307 N N 1.904 121.072 118.700 0.780 0.000 2.488 307 N HA 0.035 4.775 4.740 -0.000 0.000 0.274 307 N C 1.039 176.844 175.510 0.492 0.000 1.111 307 N CA -0.088 53.244 53.050 0.471 0.000 0.974 307 N CB 1.058 39.760 38.487 0.359 0.000 1.089 307 N HN 0.486 nan 8.380 nan 0.000 0.465 308 L N 1.329 122.772 121.223 0.367 0.000 2.446 308 L HA 0.125 4.465 4.340 -0.000 0.000 0.219 308 L C -0.140 177.005 176.870 0.459 0.000 1.116 308 L CA 0.430 55.508 54.840 0.397 0.000 0.844 308 L CB -0.042 42.198 42.059 0.303 0.000 0.970 308 L HN 0.485 nan 8.230 nan 0.000 0.457 309 Y N 0.991 121.475 120.300 0.306 0.000 2.307 309 Y HA 0.256 4.806 4.550 -0.000 0.000 0.323 309 Y C -0.064 175.988 175.900 0.254 0.000 1.100 309 Y CA -1.842 56.416 58.100 0.263 0.000 1.140 309 Y CB 0.897 39.508 38.460 0.252 0.000 1.159 309 Y HN -0.002 nan 8.280 nan 0.000 0.436 310 T N 3.831 118.301 114.554 -0.141 0.000 2.870 310 T HA 0.149 4.499 4.350 -0.000 0.000 0.300 310 T C 1.099 175.337 174.700 -0.771 0.000 0.989 310 T CA -0.601 61.322 62.100 -0.296 0.000 1.139 310 T CB 1.086 69.893 68.868 -0.102 0.000 0.920 310 T HN 0.612 nan 8.240 nan 0.000 0.537 311 L N 1.907 122.734 121.223 -0.661 0.000 2.187 311 L HA -0.071 4.269 4.340 -0.000 0.000 0.213 311 L C 2.817 179.450 176.870 -0.395 0.000 1.100 311 L CA 1.592 56.056 54.840 -0.626 0.000 0.765 311 L CB -0.963 40.830 42.059 -0.444 0.000 0.904 311 L HN 0.829 nan 8.230 nan 0.000 0.437 312 R N -0.098 120.244 120.500 -0.265 0.000 2.280 312 R HA 0.155 4.495 4.340 -0.000 0.000 0.207 312 R C 0.481 176.719 176.300 -0.103 0.000 1.043 312 R CA 0.807 56.828 56.100 -0.132 0.000 1.006 312 R CB -0.257 30.027 30.300 -0.027 0.000 0.885 312 R HN 0.240 nan 8.270 nan 0.000 0.467 313 G N 0.100 108.798 108.800 -0.169 0.000 3.209 313 G HA2 0.260 4.220 3.960 -0.000 0.000 0.686 313 G HA3 0.260 4.220 3.960 -0.000 0.000 0.686 313 G C -0.592 174.367 174.900 0.098 0.000 1.065 313 G CA -0.419 44.692 45.100 0.019 0.000 0.812 313 G HN 0.665 nan 8.290 nan 0.000 0.573 314 A N 1.687 124.646 122.820 0.232 0.000 2.536 314 A HA 0.887 5.207 4.320 -0.000 0.000 0.293 314 A C -0.194 177.545 177.584 0.258 0.000 1.119 314 A CA -0.267 51.892 52.037 0.203 0.000 0.654 314 A CB 0.481 19.586 19.000 0.175 0.000 1.291 314 A HN 1.476 nan 8.150 nan 0.000 0.439 315 E N 0.313 120.615 120.200 0.171 0.000 2.708 315 E HA 0.247 4.597 4.350 -0.000 0.000 0.260 315 E C -0.042 176.670 176.600 0.186 0.000 0.937 315 E CA 0.431 56.911 56.400 0.135 0.000 0.953 315 E CB 0.113 29.869 29.700 0.093 0.000 0.915 315 E HN 0.458 nan 8.360 nan 0.000 0.487 316 V N 4.306 124.295 119.914 0.124 0.000 2.585 316 V HA -0.008 4.111 4.120 -0.000 0.000 0.296 316 V C 1.101 177.287 176.094 0.152 0.000 1.035 316 V CA 0.232 62.620 62.300 0.147 0.000 1.084 316 V CB 0.570 32.425 31.823 0.054 0.000 0.953 316 V HN 0.576 nan 8.190 nan 0.000 0.483 317 R N 2.356 122.990 120.500 0.224 0.000 2.652 317 R HA 0.241 4.581 4.340 -0.000 0.000 0.272 317 R C -0.069 176.363 176.300 0.219 0.000 1.162 317 R CA -0.428 55.807 56.100 0.226 0.000 1.199 317 R CB 0.286 30.798 30.300 0.354 0.000 1.166 317 R HN 0.747 nan 8.270 nan 0.000 0.597 318 D N -0.014 120.519 120.400 0.221 0.000 2.485 318 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 318 D C 0.238 176.712 176.300 0.290 0.000 1.101 318 D CA -0.190 53.929 54.000 0.199 0.000 0.906 318 D CB 1.208 42.068 40.800 0.099 0.000 1.019 318 D HN 0.535 nan 8.370 nan 0.000 0.516 319 A N 3.622 126.637 122.820 0.325 0.000 1.933 319 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 319 A C 1.885 179.590 177.584 0.202 0.000 1.175 319 A CA 0.772 52.990 52.037 0.302 0.000 0.628 319 A CB -0.366 18.838 19.000 0.341 0.000 0.814 319 A HN 0.563 nan 8.150 nan 0.000 0.444 320 L N 0.158 121.387 121.223 0.011 0.000 1.970 320 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 320 L C 2.503 179.376 176.870 0.006 0.000 1.071 320 L CA 2.530 57.236 54.840 -0.223 0.000 0.751 320 L CB -1.256 40.530 42.059 -0.455 0.000 0.889 320 L HN 0.312 nan 8.230 nan 0.000 0.432 321 G N -1.233 107.598 108.800 0.052 0.000 2.469 321 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 321 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 321 G C 1.424 176.420 174.900 0.160 0.000 1.150 321 G CA 0.793 45.932 45.100 0.064 0.000 0.763 321 G HN 0.554 nan 8.290 nan 0.000 0.561 322 W N 1.456 122.745 121.300 -0.019 0.000 2.315 322 W HA -0.171 4.489 4.660 -0.000 0.000 0.323 322 W C 2.862 179.412 176.519 0.053 0.000 1.233 322 W CA 1.935 59.262 57.345 -0.030 0.000 1.267 322 W CB -1.001 28.320 29.460 -0.232 0.000 1.160 322 W HN 0.304 nan 8.180 nan 0.000 0.474 323 S N 0.207 116.131 115.700 0.373 0.000 2.374 323 S HA -0.231 4.239 4.470 -0.000 0.000 0.227 323 S C 1.962 176.693 174.600 0.218 0.000 1.037 323 S CA 2.100 60.471 58.200 0.284 0.000 1.024 323 S CB -0.307 63.015 63.200 0.202 0.000 0.861 323 S HN 0.286 nan 8.310 nan 0.000 0.456 324 K N -0.815 119.690 120.400 0.175 0.000 2.097 324 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 324 K C 2.003 178.723 176.600 0.200 0.000 1.050 324 K CA 1.395 57.769 56.287 0.143 0.000 0.938 324 K CB -0.350 32.205 32.500 0.091 0.000 0.718 324 K HN 0.475 nan 8.250 nan 0.000 0.442 325 Y N 1.650 121.985 120.300 0.058 0.000 2.242 325 Y HA -0.120 4.430 4.550 -0.000 0.000 0.291 325 Y C 1.681 177.613 175.900 0.054 0.000 1.137 325 Y CA 0.907 59.024 58.100 0.028 0.000 1.181 325 Y CB -0.196 38.248 38.460 -0.026 0.000 0.989 325 Y HN -0.055 nan 8.280 nan 0.000 0.527 326 I N -0.086 120.558 120.570 0.123 0.000 2.315 326 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 326 I C 2.257 178.378 176.117 0.007 0.000 1.117 326 I CA 1.448 62.755 61.300 0.012 0.000 1.404 326 I CB -0.457 37.620 38.000 0.129 0.000 1.071 326 I HN 0.174 nan 8.210 nan 0.000 0.419 327 N N 0.785 119.531 118.700 0.076 0.000 2.120 327 N HA -0.247 4.493 4.740 -0.000 0.000 0.188 327 N C 1.847 177.421 175.510 0.107 0.000 1.024 327 N CA 1.394 54.502 53.050 0.097 0.000 0.852 327 N CB -0.175 38.400 38.487 0.148 0.000 1.003 327 N HN 0.302 nan 8.380 nan 0.000 0.424 328 Q N -0.275 119.570 119.800 0.074 0.000 2.077 328 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 328 Q C 1.774 177.707 176.000 -0.113 0.000 0.989 328 Q CA 1.938 57.753 55.803 0.019 0.000 0.853 328 Q CB -0.251 28.534 28.738 0.078 0.000 0.907 328 Q HN 0.484 nan 8.270 nan 0.000 0.418 329 A N 0.621 123.363 122.820 -0.130 0.000 1.930 329 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 329 A C 1.976 179.428 177.584 -0.219 0.000 1.175 329 A CA 1.238 53.175 52.037 -0.167 0.000 0.627 329 A CB -0.670 18.266 19.000 -0.108 0.000 0.815 329 A HN 0.450 nan 8.150 nan 0.000 0.443 330 L N -0.267 120.841 121.223 -0.192 0.000 1.970 330 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 330 L C 2.313 178.960 176.870 -0.372 0.000 1.071 330 L CA 2.398 57.074 54.840 -0.272 0.000 0.751 330 L CB -1.073 40.798 42.059 -0.313 0.000 0.889 330 L HN 0.540 nan 8.230 nan 0.000 0.432 331 H N -0.463 118.491 119.070 -0.193 0.000 2.423 331 H HA -0.033 4.523 4.556 -0.000 0.000 0.297 331 H C 2.366 177.489 175.328 -0.342 0.000 1.075 331 H CA 1.450 57.371 56.048 -0.212 0.000 1.342 331 H CB 0.094 29.763 29.762 -0.154 0.000 1.395 331 H HN 0.417 nan 8.280 nan 0.000 0.530 332 R N -0.573 119.640 120.500 -0.479 0.000 2.100 332 R HA 0.018 4.358 4.340 -0.000 0.000 0.220 332 R C 1.276 176.958 176.300 -1.028 0.000 1.091 332 R CA 1.022 56.591 56.100 -0.886 0.000 0.986 332 R CB 0.287 29.748 30.300 -1.398 0.000 0.888 332 R HN 0.266 nan 8.270 nan 0.000 0.444 333 F N -2.759 116.887 119.950 -0.507 0.000 2.729 333 F HA 0.273 4.799 4.527 -0.000 0.000 0.304 333 F C 2.166 177.619 175.800 -0.578 0.000 1.008 333 F CA -0.090 57.373 58.000 -0.895 0.000 1.188 333 F CB -0.316 38.057 39.000 -1.044 0.000 0.980 333 F HN -0.007 nan 8.300 nan 0.000 0.627 334 G N 1.532 110.208 108.800 -0.207 0.000 2.469 334 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 334 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 334 G C 1.644 176.472 174.900 -0.120 0.000 1.136 334 G CA 0.634 45.651 45.100 -0.139 0.000 0.759 334 G HN 0.142 nan 8.290 nan 0.000 0.562 335 R N 0.346 120.756 120.500 -0.150 0.000 2.299 335 R HA 0.016 4.355 4.340 -0.000 0.000 0.197 335 R C 1.895 178.176 176.300 -0.032 0.000 0.971 335 R CA 0.978 57.026 56.100 -0.087 0.000 1.030 335 R CB 0.049 30.295 30.300 -0.089 0.000 0.932 335 R HN 0.716 nan 8.270 nan 0.000 0.477 336 Q N -0.749 119.033 119.800 -0.030 0.000 2.189 336 Q HA 0.367 4.707 4.340 -0.000 0.000 0.223 336 Q C 0.110 176.253 176.000 0.238 0.000 0.828 336 Q CA -0.206 55.651 55.803 0.090 0.000 0.967 336 Q CB 0.823 29.636 28.738 0.126 0.000 1.139 336 Q HN 0.019 nan 8.270 nan 0.000 0.497 337 A N 1.447 124.379 122.820 0.188 0.000 2.425 337 A HA 0.138 4.458 4.320 -0.000 0.000 0.249 337 A C 0.569 178.270 177.584 0.195 0.000 1.084 337 A CA -0.165 52.066 52.037 0.324 0.000 0.781 337 A CB 0.381 19.531 19.000 0.249 0.000 1.019 337 A HN 0.250 nan 8.150 nan 0.000 0.490 338 E N 0.737 121.044 120.200 0.177 0.000 2.539 338 E HA 0.250 4.600 4.350 -0.000 0.000 0.215 338 E C -0.179 176.478 176.600 0.095 0.000 0.965 338 E CA 0.354 56.829 56.400 0.125 0.000 1.019 338 E CB 1.075 30.842 29.700 0.111 0.000 1.059 338 E HN 0.448 nan 8.360 nan 0.000 0.496 342 A N 0.226 122.921 122.820 -0.207 0.000 2.609 342 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 342 A C -0.093 177.417 177.584 -0.122 0.000 1.096 342 A CA -0.196 51.715 52.037 -0.212 0.000 0.684 342 A CB 1.222 20.134 19.000 -0.147 0.000 1.282 342 A HN 2.046 nan 8.150 nan 0.000 0.412 343 V N -1.747 118.111 119.914 -0.094 0.000 3.623 343 V HA 0.305 4.425 4.120 -0.000 0.000 0.271 343 V C 0.322 176.179 176.094 -0.395 0.000 1.248 343 V CA 0.876 63.109 62.300 -0.111 0.000 1.156 343 V CB -1.225 30.673 31.823 0.125 0.000 0.870 343 V HN 0.657 nan 8.190 nan 0.000 0.453 344 H N 0.517 119.599 119.070 0.021 0.000 2.894 344 H HA 0.490 5.046 4.556 -0.000 0.000 0.367 344 H C -0.017 175.228 175.328 -0.139 0.000 1.144 344 H CA -0.133 55.899 56.048 -0.027 0.000 1.180 344 H CB 1.781 31.534 29.762 -0.015 0.000 1.758 344 H HN 0.425 nan 8.280 nan 0.000 0.541 345 N N -0.305 118.380 118.700 -0.025 0.000 3.558 345 N HA -0.287 4.453 4.740 -0.000 0.000 0.226 345 N C -0.910 174.478 175.510 -0.203 0.000 0.886 345 N CA 1.465 54.354 53.050 -0.269 0.000 0.948 345 N CB -0.741 37.205 38.487 -0.902 0.000 0.896 345 N HN 0.648 nan 8.380 nan 0.000 0.604 346 W N -1.628 119.650 121.300 -0.035 0.000 2.736 346 W HA 0.852 5.512 4.660 -0.000 0.000 0.355 346 W C -2.946 173.521 176.519 -0.088 0.000 1.102 346 W CA -1.859 55.435 57.345 -0.086 0.000 1.164 346 W CB -0.309 29.098 29.460 -0.088 0.000 1.422 346 W HN 0.316 nan 8.180 nan 0.000 0.572 347 P HA 0.461 nan 4.420 nan 0.000 0.278 347 P C -1.013 176.146 177.300 -0.235 0.000 1.266 347 P CA -0.616 62.300 63.100 -0.307 0.000 0.807 347 P CB 0.807 32.006 31.700 -0.835 0.000 1.094 348 R N 0.072 120.375 120.500 -0.328 0.000 2.562 348 R HA 0.538 4.878 4.340 -0.000 0.000 0.298 348 R C -1.001 175.182 176.300 -0.196 0.000 0.961 348 R CA -0.194 55.865 56.100 -0.067 0.000 0.881 348 R CB 1.226 31.505 30.300 -0.035 0.000 1.159 348 R HN 0.551 nan 8.270 nan 0.000 0.450 349 W N 1.492 122.842 121.300 0.083 0.000 2.736 349 W HA 0.613 5.273 4.660 -0.000 0.000 0.335 349 W C 0.019 176.572 176.519 0.056 0.000 1.059 349 W CA -0.624 56.758 57.345 0.062 0.000 1.226 349 W CB 2.353 31.843 29.460 0.050 0.000 1.416 349 W HN 0.795 nan 8.180 nan 0.000 0.505 350 G N 1.995 110.952 108.800 0.262 0.000 2.895 350 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.686 350 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.686 350 G C 0.371 175.338 174.900 0.112 0.000 1.108 350 G CA -0.171 45.032 45.100 0.171 0.000 0.761 350 G HN 0.655 nan 8.290 nan 0.000 0.611 351 N N 0.837 119.591 118.700 0.091 0.000 2.120 351 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 351 N C 2.702 178.239 175.510 0.045 0.000 1.024 351 N CA 2.140 55.229 53.050 0.065 0.000 0.852 351 N CB -0.117 38.406 38.487 0.059 0.000 1.003 351 N HN 1.015 nan 8.380 nan 0.000 0.424 352 A N 1.068 123.918 122.820 0.050 0.000 1.883 352 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 352 A C 2.090 179.700 177.584 0.044 0.000 1.186 352 A CA 1.898 53.960 52.037 0.041 0.000 0.624 352 A CB -0.740 18.287 19.000 0.046 0.000 0.822 352 A HN 0.519 nan 8.150 nan 0.000 0.444 353 E N 0.371 120.610 120.200 0.065 0.000 2.031 353 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 353 E C 1.703 178.321 176.600 0.029 0.000 0.994 353 E CA 1.705 58.149 56.400 0.073 0.000 0.800 353 E CB -0.487 29.282 29.700 0.116 0.000 0.752 353 E HN 0.605 nan 8.360 nan 0.000 0.447 354 I N -0.050 120.532 120.570 0.020 0.000 2.127 354 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 354 I C 2.368 178.462 176.117 -0.040 0.000 1.075 354 I CA 1.131 62.418 61.300 -0.022 0.000 1.334 354 I CB -0.386 37.611 38.000 -0.005 0.000 1.040 354 I HN 0.061 nan 8.210 nan 0.000 0.405 355 V N 0.938 120.836 119.914 -0.025 0.000 2.317 355 V HA -0.361 3.759 4.120 -0.000 0.000 0.251 355 V C 2.508 178.579 176.094 -0.039 0.000 1.065 355 V CA 2.477 64.750 62.300 -0.046 0.000 1.049 355 V CB -0.746 31.054 31.823 -0.038 0.000 0.651 355 V HN 0.573 nan 8.190 nan 0.000 0.450 356 E N -0.057 120.137 120.200 -0.010 0.000 2.046 356 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 356 E C 2.210 178.816 176.600 0.011 0.000 0.982 356 E CA 1.594 58.002 56.400 0.014 0.000 0.800 356 E CB -0.067 29.662 29.700 0.049 0.000 0.756 356 E HN 0.368 nan 8.360 nan 0.000 0.449 357 V N 1.829 121.717 119.914 -0.044 0.000 2.231 357 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 357 V C 2.650 178.662 176.094 -0.137 0.000 1.058 357 V CA 2.069 64.242 62.300 -0.211 0.000 1.022 357 V CB -0.718 30.843 31.823 -0.438 0.000 0.640 357 V HN 0.350 nan 8.190 nan 0.000 0.445 358 L N -0.429 120.728 121.223 -0.110 0.000 2.021 358 L HA -0.286 4.053 4.340 -0.000 0.000 0.215 358 L C 2.639 179.490 176.870 -0.032 0.000 1.074 358 L CA 2.100 56.896 54.840 -0.073 0.000 0.760 358 L CB -0.722 41.284 42.059 -0.089 0.000 0.889 358 L HN 0.406 nan 8.230 nan 0.000 0.433 359 E N -0.184 119.995 120.200 -0.034 0.000 2.085 359 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 359 E C 2.226 178.837 176.600 0.017 0.000 0.994 359 E CA 1.387 57.781 56.400 -0.010 0.000 0.801 359 E CB -0.012 29.680 29.700 -0.013 0.000 0.743 359 E HN 0.430 nan 8.360 nan 0.000 0.453 360 K N 0.150 120.571 120.400 0.034 0.000 2.167 360 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 360 K C 2.263 178.886 176.600 0.038 0.000 1.052 360 K CA 0.568 56.887 56.287 0.054 0.000 0.956 360 K CB 0.118 32.704 32.500 0.143 0.000 0.735 360 K HN 0.077 nan 8.250 nan 0.000 0.451 361 Q N 0.534 120.365 119.800 0.052 0.000 2.079 361 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 361 Q C 2.170 178.229 176.000 0.098 0.000 0.974 361 Q CA 1.047 56.882 55.803 0.053 0.000 0.840 361 Q CB -0.100 28.696 28.738 0.098 0.000 0.898 361 Q HN 0.270 nan 8.270 nan 0.000 0.430 362 R N 0.829 121.399 120.500 0.117 0.000 2.096 362 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 362 R C 1.132 177.500 176.300 0.114 0.000 1.139 362 R CA 1.873 58.061 56.100 0.146 0.000 0.952 362 R CB 0.065 30.424 30.300 0.098 0.000 0.854 362 R HN 0.172 nan 8.270 nan 0.000 0.436 363 D N 0.282 120.715 120.400 0.055 0.000 2.249 363 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 363 D C 1.818 178.128 176.300 0.017 0.000 0.962 363 D CA 0.460 54.490 54.000 0.051 0.000 0.860 363 D CB -0.057 40.760 40.800 0.028 0.000 0.955 363 D HN 0.207 nan 8.370 nan 0.000 0.505 364 L N -0.068 121.097 121.223 -0.097 0.000 2.005 364 L HA -0.182 4.157 4.340 -0.000 0.000 0.207 364 L C 2.106 178.824 176.870 -0.253 0.000 1.072 364 L CA 1.632 56.330 54.840 -0.237 0.000 0.744 364 L CB -0.750 41.073 42.059 -0.394 0.000 0.895 364 L HN -0.029 nan 8.230 nan 0.000 0.433 365 Y N 0.010 120.274 120.300 -0.060 0.000 2.224 365 Y HA -0.118 4.432 4.550 -0.000 0.000 0.289 365 Y C 2.505 178.435 175.900 0.051 0.000 1.146 365 Y CA 1.239 59.288 58.100 -0.085 0.000 1.182 365 Y CB -1.057 37.262 38.460 -0.234 0.000 0.983 365 Y HN 0.325 nan 8.280 nan 0.000 0.524 366 G N -1.184 107.733 108.800 0.195 0.000 2.422 366 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 366 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 366 G C 1.486 176.506 174.900 0.200 0.000 1.146 366 G CA 0.944 46.151 45.100 0.178 0.000 0.769 366 G HN 0.522 nan 8.290 nan 0.000 0.547 367 Y N 0.631 120.950 120.300 0.031 0.000 2.286 367 Y HA 0.165 4.715 4.550 -0.000 0.000 0.293 367 Y C 2.593 178.500 175.900 0.012 0.000 1.124 367 Y CA 0.692 58.796 58.100 0.007 0.000 1.178 367 Y CB -0.080 38.355 38.460 -0.042 0.000 1.010 367 Y HN 0.078 nan 8.280 nan 0.000 0.536 368 L N -0.163 121.209 121.223 0.249 0.000 2.021 368 L HA -0.356 3.984 4.340 -0.000 0.000 0.215 368 L C 2.770 179.701 176.870 0.102 0.000 1.074 368 L CA 2.013 56.940 54.840 0.145 0.000 0.760 368 L CB -0.859 41.263 42.059 0.105 0.000 0.889 368 L HN 0.450 nan 8.230 nan 0.000 0.433 369 H N 0.033 119.142 119.070 0.066 0.000 2.299 369 H HA -0.164 4.392 4.556 -0.000 0.000 0.302 369 H C 1.695 177.009 175.328 -0.024 0.000 1.078 369 H CA 2.099 58.187 56.048 0.066 0.000 1.323 369 H CB 0.038 29.877 29.762 0.127 0.000 1.381 369 H HN 0.312 nan 8.280 nan 0.000 0.498 370 D N 0.304 120.780 120.400 0.127 0.000 2.183 370 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 370 D C 2.276 178.480 176.300 -0.160 0.000 0.969 370 D CA 0.717 54.722 54.000 0.009 0.000 0.842 370 D CB -0.005 40.818 40.800 0.037 0.000 0.957 370 D HN 0.379 nan 8.370 nan 0.000 0.484 371 Q N -0.352 119.273 119.800 -0.293 0.000 2.354 371 Q HA 0.072 4.412 4.340 -0.000 0.000 0.203 371 Q C 1.995 177.894 176.000 -0.168 0.000 0.933 371 Q CA 0.515 56.112 55.803 -0.342 0.000 0.901 371 Q CB -0.216 28.076 28.738 -0.743 0.000 1.007 371 Q HN 0.230 nan 8.270 nan 0.000 0.495 372 T N 1.760 116.229 114.554 -0.142 0.000 2.674 372 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 372 T C 1.701 176.327 174.700 -0.123 0.000 1.039 372 T CA 0.840 62.884 62.100 -0.094 0.000 1.150 372 T CB -0.070 68.754 68.868 -0.073 0.000 0.864 372 T HN 0.064 nan 8.240 nan 0.000 0.427 373 L N 0.279 121.371 121.223 -0.217 0.000 2.141 373 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 373 L C 2.138 178.922 176.870 -0.143 0.000 1.094 373 L CA 1.578 56.265 54.840 -0.255 0.000 0.763 373 L CB -1.217 40.582 42.059 -0.433 0.000 0.908 373 L HN 0.394 nan 8.230 nan 0.000 0.437 374 H N -1.009 117.950 119.070 -0.185 0.000 2.352 374 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 374 H C 2.185 177.446 175.328 -0.112 0.000 1.097 374 H CA 1.824 57.788 56.048 -0.140 0.000 1.311 374 H CB 0.164 29.837 29.762 -0.149 0.000 1.377 374 H HN 0.228 nan 8.280 nan 0.000 0.504 375 L N -0.666 120.585 121.223 0.046 0.000 2.044 375 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 375 L C 2.866 179.710 176.870 -0.044 0.000 1.075 375 L CA 0.829 55.676 54.840 0.012 0.000 0.747 375 L CB -0.565 41.500 42.059 0.011 0.000 0.903 375 L HN 0.366 nan 8.230 nan 0.000 0.435 376 A N 0.413 123.196 122.820 -0.063 0.000 1.892 376 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 376 A C 2.016 179.542 177.584 -0.096 0.000 1.188 376 A CA 2.057 54.049 52.037 -0.076 0.000 0.631 376 A CB -0.700 18.248 19.000 -0.087 0.000 0.822 376 A HN 0.462 nan 8.150 nan 0.000 0.447 377 N N -0.033 118.589 118.700 -0.131 0.000 2.443 377 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 377 N C 1.133 176.561 175.510 -0.136 0.000 1.037 377 N CA 1.125 54.089 53.050 -0.144 0.000 0.896 377 N CB -0.254 38.120 38.487 -0.188 0.000 0.959 377 N HN 0.715 nan 8.380 nan 0.000 0.442 378 Q N -0.864 118.862 119.800 -0.124 0.000 2.222 378 Q HA 0.281 4.621 4.340 -0.000 0.000 0.206 378 Q C 0.790 176.751 176.000 -0.065 0.000 0.877 378 Q CA 0.137 55.883 55.803 -0.095 0.000 0.958 378 Q CB 0.674 29.367 28.738 -0.075 0.000 1.075 378 Q HN 0.315 nan 8.270 nan 0.000 0.483 379 G N 0.221 108.981 108.800 -0.066 0.000 2.217 379 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 379 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 379 G C 0.342 175.214 174.900 -0.047 0.000 0.990 379 G CA -0.038 45.028 45.100 -0.056 0.000 0.627 379 G HN 0.246 nan 8.290 nan 0.000 0.522 380 V N 2.760 122.651 119.914 -0.037 0.000 2.599 380 V HA 0.449 4.569 4.120 -0.000 0.000 0.300 380 V C 1.349 177.431 176.094 -0.021 0.000 1.034 380 V CA 0.899 63.186 62.300 -0.022 0.000 1.115 380 V CB 0.791 32.608 31.823 -0.010 0.000 0.934 380 V HN 0.849 nan 8.190 nan 0.000 0.485 381 T N 1.975 116.523 114.554 -0.010 0.000 2.910 381 T HA 0.471 4.821 4.350 -0.000 0.000 0.279 381 T C 1.160 175.880 174.700 0.034 0.000 0.989 381 T CA -0.427 61.665 62.100 -0.014 0.000 0.968 381 T CB 1.285 70.135 68.868 -0.030 0.000 1.135 381 T HN 0.425 nan 8.240 nan 0.000 0.562 382 I N 0.350 120.936 120.570 0.026 0.000 2.454 382 I HA 0.096 4.266 4.170 -0.000 0.000 0.254 382 I C 2.146 178.330 176.117 0.112 0.000 1.156 382 I CA 1.456 62.792 61.300 0.061 0.000 1.433 382 I CB -0.628 37.394 38.000 0.037 0.000 1.082 382 I HN 0.892 nan 8.210 nan 0.000 0.432 383 G N -0.554 108.308 108.800 0.103 0.000 2.848 383 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.208 383 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.208 383 G C 1.311 176.364 174.900 0.255 0.000 1.152 383 G CA 0.231 45.430 45.100 0.165 0.000 0.789 383 G HN 0.484 nan 8.290 nan 0.000 0.531 384 Q N -1.410 118.497 119.800 0.178 0.000 2.384 384 Q HA 0.196 4.536 4.340 -0.000 0.000 0.264 384 Q C 2.203 178.222 176.000 0.032 0.000 0.825 384 Q CA -0.140 55.693 55.803 0.050 0.000 0.984 384 Q CB 0.396 29.143 28.738 0.015 0.000 1.183 384 Q HN 0.179 nan 8.270 nan 0.000 0.537 385 V N 2.885 122.885 119.914 0.143 0.000 2.380 385 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 385 V C 2.281 178.458 176.094 0.137 0.000 1.063 385 V CA 2.468 64.837 62.300 0.115 0.000 1.055 385 V CB -0.417 31.473 31.823 0.112 0.000 0.657 385 V HN 0.557 nan 8.190 nan 0.000 0.455 386 H N -0.585 118.535 119.070 0.083 0.000 2.457 386 H HA -0.013 4.543 4.556 -0.000 0.000 0.294 386 H C 1.625 177.009 175.328 0.094 0.000 1.064 386 H CA 1.355 57.468 56.048 0.108 0.000 1.330 386 H CB -0.783 29.082 29.762 0.173 0.000 1.395 386 H HN 0.484 nan 8.280 nan 0.000 0.541 387 N N 0.791 119.260 118.700 -0.386 0.000 2.398 387 N HA 0.008 4.747 4.740 -0.000 0.000 0.188 387 N C 1.365 176.818 175.510 -0.095 0.000 1.122 387 N CA 0.133 53.039 53.050 -0.239 0.000 0.866 387 N CB 0.376 38.669 38.487 -0.323 0.000 0.970 387 N HN 0.413 nan 8.380 nan 0.000 0.462 388 R N -0.124 120.345 120.500 -0.052 0.000 2.257 388 R HA 0.201 4.541 4.340 -0.000 0.000 0.195 388 R C 0.500 176.806 176.300 0.010 0.000 0.921 388 R CA -0.286 55.804 56.100 -0.017 0.000 1.069 388 R CB -0.057 30.236 30.300 -0.011 0.000 1.115 388 R HN 0.064 nan 8.270 nan 0.000 0.571 389 L N 2.887 124.128 121.223 0.031 0.000 2.319 389 L HA 0.238 4.578 4.340 -0.000 0.000 0.280 389 L C -0.575 176.330 176.870 0.058 0.000 1.099 389 L CA 0.070 54.943 54.840 0.055 0.000 0.828 389 L CB 0.485 42.585 42.059 0.067 0.000 1.150 389 L HN -0.158 nan 8.230 nan 0.000 0.442 390 R N 5.519 126.064 120.500 0.075 0.000 2.561 390 R HA 0.477 4.817 4.340 -0.000 0.000 0.297 390 R C -0.995 175.314 176.300 0.014 0.000 0.969 390 R CA -0.862 55.252 56.100 0.024 0.000 0.879 390 R CB 1.568 31.864 30.300 -0.007 0.000 1.178 390 R HN 0.692 nan 8.270 nan 0.000 0.445 391 L N 4.495 125.649 121.223 -0.115 0.000 2.483 391 L HA 0.198 4.538 4.340 -0.000 0.000 0.276 391 L C -1.425 175.243 176.870 -0.336 0.000 1.213 391 L CA -1.269 53.353 54.840 -0.363 0.000 0.843 391 L CB 0.107 41.956 42.059 -0.350 0.000 1.107 391 L HN 0.269 nan 8.230 nan 0.000 0.487 392 P HA 0.195 nan 4.420 nan 0.000 0.276 392 P C -2.365 174.790 177.300 -0.242 0.000 1.252 392 P CA -1.668 61.261 63.100 -0.286 0.000 0.802 392 P CB 0.341 31.860 31.700 -0.302 0.000 1.035 393 P HA -0.182 nan 4.420 nan 0.000 0.217 393 P C 1.677 178.867 177.300 -0.183 0.000 1.148 393 P CA 1.893 64.894 63.100 -0.164 0.000 0.828 393 P CB -0.332 31.297 31.700 -0.118 0.000 0.783 394 S N -1.497 114.103 115.700 -0.168 0.000 2.453 394 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 394 S C 1.755 176.247 174.600 -0.180 0.000 1.005 394 S CA 0.925 59.036 58.200 -0.148 0.000 0.949 394 S CB -1.251 61.884 63.200 -0.107 0.000 0.774 394 S HN 0.124 nan 8.310 nan 0.000 0.510 395 L N 0.743 121.824 121.223 -0.236 0.000 2.357 395 L HA 0.216 4.556 4.340 -0.000 0.000 0.211 395 L C 2.377 179.060 176.870 -0.312 0.000 1.075 395 L CA 0.928 55.608 54.840 -0.266 0.000 0.830 395 L CB -0.433 41.438 42.059 -0.314 0.000 0.996 395 L HN 0.221 nan 8.230 nan 0.000 0.467 396 D N -0.111 120.105 120.400 -0.306 0.000 2.178 396 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 396 D C 1.688 177.762 176.300 -0.376 0.000 0.974 396 D CA 0.938 54.750 54.000 -0.312 0.000 0.841 396 D CB 0.286 40.932 40.800 -0.256 0.000 0.953 396 D HN 0.090 nan 8.370 nan 0.000 0.478 397 Q N 0.502 120.082 119.800 -0.365 0.000 2.225 397 Q HA 0.130 4.470 4.340 -0.000 0.000 0.222 397 Q C -0.507 175.169 176.000 -0.540 0.000 0.887 397 Q CA 0.279 55.822 55.803 -0.433 0.000 0.958 397 Q CB 0.631 29.191 28.738 -0.297 0.000 1.058 397 Q HN 0.399 nan 8.270 nan 0.000 0.459 398 E N -0.771 119.058 120.200 -0.618 0.000 2.210 398 E HA 0.086 4.436 4.350 -0.000 0.000 0.266 398 E C 0.029 176.150 176.600 -0.797 0.000 0.883 398 E CA -0.500 55.437 56.400 -0.771 0.000 0.761 398 E CB 0.762 29.853 29.700 -1.016 0.000 1.156 398 E HN 0.171 nan 8.360 nan 0.000 0.412 399 W N 1.126 122.180 121.300 -0.410 0.000 2.350 399 W HA -0.223 4.437 4.660 -0.000 0.000 0.289 399 W C 1.822 178.270 176.519 -0.119 0.000 1.215 399 W CA 0.821 58.056 57.345 -0.184 0.000 1.236 399 W CB -0.387 29.084 29.460 0.018 0.000 1.130 399 W HN 0.668 nan 8.180 nan 0.000 0.541 400 Y N -2.120 118.325 120.300 0.242 0.000 2.529 400 Y HA 0.140 4.690 4.550 -0.000 0.000 0.290 400 Y C 1.093 177.000 175.900 0.011 0.000 1.177 400 Y CA 0.407 58.593 58.100 0.144 0.000 1.305 400 Y CB -0.839 37.673 38.460 0.086 0.000 1.047 400 Y HN -0.138 nan 8.280 nan 0.000 0.522 401 D N -0.166 120.105 120.400 -0.215 0.000 2.360 401 D HA 0.031 4.671 4.640 -0.000 0.000 0.210 401 D C 0.510 176.636 176.300 -0.289 0.000 1.047 401 D CA 0.231 54.095 54.000 -0.227 0.000 0.854 401 D CB 0.113 40.712 40.800 -0.335 0.000 0.936 401 D HN 0.069 nan 8.370 nan 0.000 0.514 402 R N 0.616 120.910 120.500 -0.344 0.000 2.590 402 R HA 0.305 4.645 4.340 -0.000 0.000 0.274 402 R C 1.022 176.982 176.300 -0.567 0.000 1.061 402 R CA -0.347 55.425 56.100 -0.547 0.000 1.081 402 R CB -0.259 29.523 30.300 -0.863 0.000 0.984 402 R HN -0.066 nan 8.270 nan 0.000 0.448 403 G N 2.461 110.969 108.800 -0.486 0.000 2.924 403 G HA2 0.032 3.992 3.960 -0.000 0.000 0.273 403 G HA3 0.032 3.992 3.960 -0.000 0.000 0.273 403 G C 0.342 175.067 174.900 -0.292 0.000 0.734 403 G CA -0.203 44.682 45.100 -0.358 0.000 2.065 403 G HN 0.649 nan 8.290 nan 0.000 0.580 404 Y N -0.675 119.621 120.300 -0.007 0.000 2.365 404 Y HA 0.028 4.578 4.550 -0.000 0.000 0.293 404 Y C 2.426 178.359 175.900 0.055 0.000 1.119 404 Y CA 1.156 59.276 58.100 0.033 0.000 1.203 404 Y CB 0.263 38.766 38.460 0.071 0.000 1.026 404 Y HN 0.625 nan 8.280 nan 0.000 0.549 405 H N -1.100 118.012 119.070 0.069 0.000 2.302 405 H HA 0.344 4.900 4.556 -0.000 0.000 0.252 405 H C 1.219 176.573 175.328 0.045 0.000 1.017 405 H CA 0.577 56.627 56.048 0.003 0.000 1.404 405 H CB -0.260 29.420 29.762 -0.136 0.000 1.394 405 H HN 0.060 nan 8.280 nan 0.000 0.560 406 G N 0.194 108.995 108.800 0.002 0.000 2.537 406 G HA2 0.428 4.388 3.960 -0.000 0.000 0.273 406 G HA3 0.428 4.388 3.960 -0.000 0.000 0.273 406 G C -0.741 174.012 174.900 -0.245 0.000 1.189 406 G CA 0.070 45.117 45.100 -0.088 0.000 0.881 406 G HN 0.590 nan 8.290 nan 0.000 0.535 407 S N -0.772 114.595 115.700 -0.556 0.000 2.568 407 S HA 0.393 4.863 4.470 -0.000 0.000 0.293 407 S C 0.931 175.318 174.600 -0.355 0.000 1.089 407 S CA -0.595 57.329 58.200 -0.459 0.000 0.945 407 S CB 1.850 64.716 63.200 -0.558 0.000 1.077 407 S HN 0.363 nan 8.310 nan 0.000 0.485 408 V N 2.108 121.879 119.914 -0.238 0.000 2.282 408 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 408 V C 2.917 178.992 176.094 -0.032 0.000 1.057 408 V CA 2.587 64.814 62.300 -0.123 0.000 1.032 408 V CB -1.147 30.612 31.823 -0.106 0.000 0.645 408 V HN 1.052 nan 8.190 nan 0.000 0.447 409 S N 0.051 115.747 115.700 -0.006 0.000 2.353 409 S HA -0.283 4.187 4.470 -0.000 0.000 0.222 409 S C 2.105 176.874 174.600 0.283 0.000 1.035 409 S CA 2.174 60.500 58.200 0.210 0.000 1.025 409 S CB -0.536 62.875 63.200 0.352 0.000 0.902 409 S HN 0.903 nan 8.310 nan 0.000 0.440 410 H N -0.798 118.448 119.070 0.294 0.000 2.535 410 H HA 0.223 4.779 4.556 -0.000 0.000 0.273 410 H C 1.577 177.060 175.328 0.258 0.000 0.983 410 H CA 0.744 56.981 56.048 0.314 0.000 1.238 410 H CB -0.428 29.601 29.762 0.444 0.000 1.412 410 H HN 0.349 nan 8.280 nan 0.000 0.562 411 N N 1.600 120.297 118.700 -0.004 0.000 2.171 411 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 411 N C 2.228 177.810 175.510 0.120 0.000 1.021 411 N CA 1.426 54.519 53.050 0.070 0.000 0.854 411 N CB -0.316 38.151 38.487 -0.034 0.000 0.994 411 N HN 0.485 nan 8.380 nan 0.000 0.426 412 A N 1.747 124.627 122.820 0.101 0.000 1.883 412 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 412 A C 2.241 179.896 177.584 0.118 0.000 1.186 412 A CA 1.262 53.362 52.037 0.105 0.000 0.624 412 A CB -0.496 18.570 19.000 0.110 0.000 0.822 412 A HN 0.236 nan 8.150 nan 0.000 0.444 413 R N -0.589 119.998 120.500 0.144 0.000 2.105 413 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 413 R C 2.410 178.760 176.300 0.083 0.000 1.135 413 R CA 1.232 57.398 56.100 0.110 0.000 0.967 413 R CB -0.438 29.909 30.300 0.078 0.000 0.861 413 R HN 0.537 nan 8.270 nan 0.000 0.442 414 A N 0.484 123.377 122.820 0.122 0.000 1.897 414 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 414 A C 2.327 179.964 177.584 0.089 0.000 1.181 414 A CA 1.083 53.161 52.037 0.069 0.000 0.620 414 A CB -0.390 18.729 19.000 0.198 0.000 0.821 414 A HN 0.102 nan 8.150 nan 0.000 0.443 415 V N -0.019 119.977 119.914 0.137 0.000 2.287 415 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 415 V C 2.504 178.717 176.094 0.199 0.000 1.053 415 V CA 2.033 64.443 62.300 0.184 0.000 1.027 415 V CB -0.771 31.138 31.823 0.143 0.000 0.646 415 V HN 0.630 nan 8.190 nan 0.000 0.447 416 L N 0.434 121.726 121.223 0.114 0.000 2.083 416 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 416 L C 2.396 179.323 176.870 0.095 0.000 1.083 416 L CA 2.180 57.076 54.840 0.095 0.000 0.752 416 L CB -0.392 41.697 42.059 0.049 0.000 0.899 416 L HN 0.474 nan 8.230 nan 0.000 0.433 417 N N 0.146 118.877 118.700 0.052 0.000 2.244 417 N HA -0.242 4.498 4.740 -0.000 0.000 0.183 417 N C 1.981 177.491 175.510 -0.000 0.000 1.016 417 N CA 1.218 54.274 53.050 0.011 0.000 0.866 417 N CB -0.142 38.317 38.487 -0.046 0.000 0.980 417 N HN 0.219 nan 8.380 nan 0.000 0.430 418 R N -1.223 119.275 120.500 -0.003 0.000 2.081 418 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 418 R C 1.325 177.523 176.300 -0.171 0.000 1.131 418 R CA 1.372 57.411 56.100 -0.102 0.000 0.960 418 R CB -0.251 29.956 30.300 -0.154 0.000 0.856 418 R HN 0.348 nan 8.270 nan 0.000 0.436 419 Y N -0.423 119.874 120.300 -0.005 0.000 2.347 419 Y HA 0.063 4.613 4.550 -0.000 0.000 0.294 419 Y C 1.776 177.662 175.900 -0.023 0.000 1.117 419 Y CA 0.800 58.893 58.100 -0.011 0.000 1.184 419 Y CB 0.387 38.830 38.460 -0.028 0.000 1.047 419 Y HN -0.009 nan 8.280 nan 0.000 0.546 420 L N -1.614 119.676 121.223 0.112 0.000 2.817 420 L HA 0.439 4.779 4.340 -0.000 0.000 0.248 420 L C 0.904 177.756 176.870 -0.031 0.000 1.133 420 L CA 0.243 55.102 54.840 0.030 0.000 0.935 420 L CB 0.224 42.286 42.059 0.006 0.000 1.266 420 L HN 0.250 nan 8.230 nan 0.000 0.535 421 G N 0.543 109.326 108.800 -0.028 0.000 2.698 421 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.225 421 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.225 421 G C 0.001 174.853 174.900 -0.080 0.000 1.345 421 G CA 0.188 45.247 45.100 -0.070 0.000 0.871 421 G HN 0.259 nan 8.290 nan 0.000 0.540 422 Y N -1.767 118.560 120.300 0.045 0.000 2.519 422 Y HA 0.501 5.051 4.550 -0.000 0.000 0.287 422 Y C 1.222 177.185 175.900 0.106 0.000 1.128 422 Y CA 0.395 58.520 58.100 0.043 0.000 1.282 422 Y CB -0.176 38.297 38.460 0.021 0.000 1.027 422 Y HN 0.818 nan 8.280 nan 0.000 0.551 423 Y N 4.488 124.451 120.300 -0.561 0.000 2.335 423 Y HA 0.192 4.741 4.550 -0.000 0.000 0.331 423 Y C 0.942 176.773 175.900 -0.115 0.000 1.094 423 Y CA -1.873 56.067 58.100 -0.267 0.000 1.253 423 Y CB 0.700 38.914 38.460 -0.411 0.000 1.203 423 Y HN 0.332 nan 8.280 nan 0.000 0.508 424 D N 2.625 122.782 120.400 -0.405 0.000 2.349 424 D HA 0.098 4.738 4.640 -0.000 0.000 0.224 424 D C 1.607 177.541 176.300 -0.611 0.000 1.029 424 D CA 0.672 54.446 54.000 -0.377 0.000 0.879 424 D CB -0.261 40.441 40.800 -0.164 0.000 0.906 424 D HN 0.939 nan 8.370 nan 0.000 0.528 425 G N 0.522 108.483 108.800 -1.398 0.000 2.205 425 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 425 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 425 G C 0.196 174.799 174.900 -0.495 0.000 0.980 425 G CA 0.149 44.645 45.100 -1.006 0.000 0.632 425 G HN 0.640 nan 8.290 nan 0.000 0.533 426 N N 1.423 119.902 118.700 -0.367 0.000 2.406 426 N HA 0.462 5.202 4.740 -0.000 0.000 0.251 426 N C -1.068 174.521 175.510 0.131 0.000 1.069 426 N CA -2.233 50.776 53.050 -0.068 0.000 0.947 426 N CB 1.450 39.912 38.487 -0.042 0.000 1.111 426 N HN 0.038 nan 8.380 nan 0.000 0.497 427 P HA -0.038 nan 4.420 nan 0.000 0.229 427 P C 0.648 178.038 177.300 0.151 0.000 1.150 427 P CA 0.602 63.839 63.100 0.229 0.000 0.765 427 P CB 0.104 31.892 31.700 0.146 0.000 0.783 428 A N -0.235 122.653 122.820 0.114 0.000 2.125 428 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 428 A C 1.897 179.547 177.584 0.110 0.000 1.156 428 A CA 2.089 54.178 52.037 0.087 0.000 0.671 428 A CB -1.369 17.670 19.000 0.065 0.000 0.794 428 A HN 0.358 nan 8.150 nan 0.000 0.459 429 T N -4.252 110.411 114.554 0.181 0.000 3.132 429 T HA 0.265 4.615 4.350 -0.000 0.000 0.274 429 T C 1.229 176.079 174.700 0.249 0.000 1.011 429 T CA 0.389 62.608 62.100 0.199 0.000 0.899 429 T CB -0.094 68.899 68.868 0.207 0.000 1.089 429 T HN 0.102 nan 8.240 nan 0.000 0.543 430 L N 1.595 122.940 121.223 0.203 0.000 2.056 430 L HA 0.302 4.642 4.340 -0.000 0.000 0.207 430 L C 0.464 177.310 176.870 -0.039 0.000 1.078 430 L CA 1.781 56.594 54.840 -0.044 0.000 0.749 430 L CB -0.126 41.843 42.059 -0.150 0.000 0.901 430 L HN 0.223 nan 8.230 nan 0.000 0.433 431 D N 0.395 120.796 120.400 0.002 0.000 2.634 431 D HA 0.285 4.925 4.640 -0.000 0.000 0.318 431 D C -2.398 173.907 176.300 0.007 0.000 1.226 431 D CA -1.701 52.294 54.000 -0.009 0.000 0.899 431 D CB 0.329 41.119 40.800 -0.017 0.000 1.025 431 D HN 0.231 nan 8.370 nan 0.000 0.501 432 P HA 0.310 nan 4.420 nan 0.000 0.288 432 P C 0.117 177.418 177.300 0.002 0.000 1.267 432 P CA -0.588 62.524 63.100 0.020 0.000 0.815 432 P CB 1.338 33.061 31.700 0.039 0.000 0.989 433 L N 1.281 122.504 121.223 -0.000 0.000 2.514 433 L HA 0.040 4.380 4.340 -0.000 0.000 0.280 433 L C 1.094 177.963 176.870 -0.001 0.000 1.223 433 L CA 0.079 54.917 54.840 -0.004 0.000 0.864 433 L CB -0.173 41.880 42.059 -0.009 0.000 1.118 433 L HN 0.434 nan 8.230 nan 0.000 0.494 434 S N 4.056 119.756 115.700 -0.000 0.000 2.563 434 S HA 0.021 4.491 4.470 -0.000 0.000 0.284 434 S C -1.168 173.438 174.600 0.009 0.000 1.331 434 S CA -0.909 57.292 58.200 0.001 0.000 1.047 434 S CB 0.671 63.883 63.200 0.021 0.000 0.859 434 S HN 0.555 nan 8.310 nan 0.000 0.514 435 P HA -0.204 nan 4.420 nan 0.000 0.216 435 P C 1.267 178.605 177.300 0.063 0.000 1.150 435 P CA 1.205 64.240 63.100 -0.107 0.000 0.843 435 P CB 0.061 31.484 31.700 -0.461 0.000 0.787 436 E N 0.052 120.380 120.200 0.213 0.000 2.358 436 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 436 E C 0.784 177.467 176.600 0.138 0.000 1.010 436 E CA 0.923 57.491 56.400 0.281 0.000 0.856 436 E CB -0.738 29.134 29.700 0.287 0.000 0.795 436 E HN 0.224 nan 8.360 nan 0.000 0.504 437 D N 1.089 121.540 120.400 0.086 0.000 2.346 437 D HA -0.017 4.623 4.640 -0.000 0.000 0.206 437 D C 1.676 177.997 176.300 0.034 0.000 1.001 437 D CA 1.108 55.138 54.000 0.050 0.000 0.871 437 D CB 0.373 41.190 40.800 0.028 0.000 0.943 437 D HN 0.317 nan 8.370 nan 0.000 0.518 438 S N -0.070 115.658 115.700 0.047 0.000 2.503 438 S HA 0.254 4.724 4.470 -0.000 0.000 0.215 438 S C 2.052 176.712 174.600 0.101 0.000 1.003 438 S CA 0.328 58.543 58.200 0.025 0.000 0.910 438 S CB 0.388 63.603 63.200 0.025 0.000 0.790 438 S HN 0.133 nan 8.310 nan 0.000 0.514 439 A N 2.338 125.246 122.820 0.147 0.000 1.908 439 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 439 A C 2.332 180.003 177.584 0.144 0.000 1.181 439 A CA 1.663 53.809 52.037 0.183 0.000 0.627 439 A CB -1.803 17.308 19.000 0.184 0.000 0.818 439 A HN 0.621 nan 8.150 nan 0.000 0.445 440 G N -0.620 108.236 108.800 0.094 0.000 2.476 440 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.218 440 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.218 440 G C 1.798 176.736 174.900 0.062 0.000 1.164 440 G CA 1.143 46.286 45.100 0.072 0.000 0.768 440 G HN 0.564 nan 8.290 nan 0.000 0.560 441 R N -1.140 119.359 120.500 -0.002 0.000 2.092 441 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 441 R C 2.376 178.578 176.300 -0.164 0.000 1.119 441 R CA 1.061 57.099 56.100 -0.102 0.000 0.970 441 R CB -0.427 29.721 30.300 -0.253 0.000 0.864 441 R HN 0.523 nan 8.270 nan 0.000 0.440 442 Y N -0.188 120.033 120.300 -0.132 0.000 2.165 442 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 442 Y C 2.323 178.235 175.900 0.020 0.000 1.155 442 Y CA 1.206 59.254 58.100 -0.087 0.000 1.164 442 Y CB -0.020 38.405 38.460 -0.059 0.000 0.978 442 Y HN -0.134 nan 8.280 nan 0.000 0.513 443 V N -0.287 119.746 119.914 0.198 0.000 2.358 443 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 443 V C 2.004 178.192 176.094 0.156 0.000 1.047 443 V CA 1.871 64.261 62.300 0.149 0.000 1.035 443 V CB -0.537 31.350 31.823 0.107 0.000 0.658 443 V HN 0.373 nan 8.190 nan 0.000 0.452 444 E N -0.968 119.330 120.200 0.163 0.000 2.035 444 E HA -0.207 4.143 4.350 -0.000 0.000 0.204 444 E C 0.815 177.570 176.600 0.259 0.000 1.025 444 E CA 1.627 58.144 56.400 0.195 0.000 0.835 444 E CB -0.222 29.623 29.700 0.243 0.000 0.764 444 E HN 0.645 nan 8.360 nan 0.000 0.457 448 G N -0.765 108.082 108.800 0.078 0.000 2.663 448 G HA2 0.380 4.340 3.960 -0.000 0.000 0.686 448 G HA3 0.380 4.340 3.960 -0.000 0.000 0.686 448 G C 1.047 175.981 174.900 0.056 0.000 1.288 448 G CA 0.643 45.781 45.100 0.064 0.000 0.836 448 G HN 1.515 nan 8.290 nan 0.000 0.584 449 A N -0.453 122.394 122.820 0.045 0.000 1.884 449 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 449 A C 2.169 179.770 177.584 0.027 0.000 1.197 449 A CA 2.630 54.687 52.037 0.033 0.000 0.637 449 A CB -0.454 18.561 19.000 0.025 0.000 0.827 449 A HN 0.806 nan 8.150 nan 0.000 0.450 450 E N -0.996 119.219 120.200 0.026 0.000 2.107 450 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 450 E C 2.182 178.800 176.600 0.029 0.000 0.982 450 E CA 1.301 57.713 56.400 0.022 0.000 0.809 450 E CB -0.264 29.447 29.700 0.018 0.000 0.756 450 E HN 0.592 nan 8.360 nan 0.000 0.459 451 R N 0.972 121.495 120.500 0.038 0.000 2.090 451 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 451 R C 2.400 178.734 176.300 0.056 0.000 1.110 451 R CA 0.630 56.758 56.100 0.046 0.000 0.973 451 R CB -0.606 29.724 30.300 0.050 0.000 0.869 451 R HN 0.193 nan 8.270 nan 0.000 0.440 452 L N 0.091 121.348 121.223 0.058 0.000 1.994 452 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 452 L C 1.876 178.771 176.870 0.041 0.000 1.071 452 L CA 1.565 56.441 54.840 0.060 0.000 0.745 452 L CB -0.283 41.809 42.059 0.054 0.000 0.892 452 L HN 0.290 nan 8.230 nan 0.000 0.431 453 L N -0.003 121.234 121.223 0.024 0.000 2.129 453 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 453 L C 2.612 179.495 176.870 0.022 0.000 1.087 453 L CA 1.836 56.681 54.840 0.009 0.000 0.757 453 L CB -0.539 41.518 42.059 -0.004 0.000 0.896 453 L HN 0.466 nan 8.230 nan 0.000 0.434 454 E N -0.317 119.903 120.200 0.034 0.000 2.112 454 E HA -0.202 4.148 4.350 -0.000 0.000 0.190 454 E C 2.117 178.753 176.600 0.061 0.000 0.979 454 E CA 0.680 57.104 56.400 0.040 0.000 0.814 454 E CB 0.099 29.822 29.700 0.037 0.000 0.762 454 E HN 0.557 nan 8.360 nan 0.000 0.460 455 Q N 0.062 119.908 119.800 0.077 0.000 2.123 455 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 455 Q C 2.187 178.267 176.000 0.134 0.000 0.966 455 Q CA 1.140 57.007 55.803 0.106 0.000 0.845 455 Q CB -0.040 28.775 28.738 0.127 0.000 0.907 455 Q HN 0.311 nan 8.270 nan 0.000 0.439 456 A N 1.504 124.391 122.820 0.113 0.000 1.902 456 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 456 A C 2.009 179.669 177.584 0.127 0.000 1.181 456 A CA 1.165 53.267 52.037 0.110 0.000 0.623 456 A CB -0.363 18.652 19.000 0.025 0.000 0.818 456 A HN 0.201 nan 8.150 nan 0.000 0.443 457 R N -0.441 120.108 120.500 0.081 0.000 2.083 457 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 457 R C 2.479 178.868 176.300 0.149 0.000 1.137 457 R CA 1.340 57.490 56.100 0.084 0.000 0.951 457 R CB -0.572 29.744 30.300 0.026 0.000 0.851 457 R HN 0.510 nan 8.270 nan 0.000 0.434 458 A N 0.760 123.651 122.820 0.119 0.000 1.933 458 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 458 A C 2.274 179.927 177.584 0.115 0.000 1.175 458 A CA 1.758 53.861 52.037 0.110 0.000 0.628 458 A CB -0.420 18.631 19.000 0.084 0.000 0.814 458 A HN 0.237 nan 8.150 nan 0.000 0.444 459 S N -1.812 113.977 115.700 0.148 0.000 2.356 459 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 459 S C 1.799 176.443 174.600 0.073 0.000 1.032 459 S CA 1.404 59.688 58.200 0.140 0.000 1.005 459 S CB -0.596 62.794 63.200 0.318 0.000 0.867 459 S HN 0.674 nan 8.310 nan 0.000 0.449 460 Y N 2.219 122.536 120.300 0.027 0.000 2.114 460 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 460 Y C 2.369 178.260 175.900 -0.014 0.000 1.165 460 Y CA 1.406 59.537 58.100 0.050 0.000 1.148 460 Y CB -0.556 37.981 38.460 0.128 0.000 0.972 460 Y HN 0.252 nan 8.280 nan 0.000 0.504 461 A N -0.110 122.847 122.820 0.228 0.000 2.168 461 A HA -0.075 4.244 4.320 -0.000 0.000 0.215 461 A C 2.028 179.659 177.584 0.078 0.000 1.152 461 A CA 1.066 53.236 52.037 0.221 0.000 0.716 461 A CB -0.435 18.697 19.000 0.219 0.000 0.794 461 A HN 0.525 nan 8.150 nan 0.000 0.465 462 R N -1.413 118.986 120.500 -0.167 0.000 2.359 462 R HA 0.221 4.561 4.340 -0.000 0.000 0.231 462 R C 1.121 176.641 176.300 -1.301 0.000 0.913 462 R CA 0.510 56.377 56.100 -0.389 0.000 1.075 462 R CB 0.085 30.258 30.300 -0.211 0.000 1.087 462 R HN 0.615 nan 8.270 nan 0.000 0.515 463 G N 1.493 109.356 108.800 -1.562 0.000 2.141 463 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 463 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 463 G C -0.019 173.865 174.900 -1.694 0.000 0.982 463 G CA -0.183 43.613 45.100 -2.174 0.000 0.662 463 G HN 0.415 nan 8.290 nan 0.000 0.527 464 E N 0.407 119.996 120.200 -1.018 0.000 2.341 464 E HA 0.363 4.713 4.350 -0.000 0.000 0.279 464 E C 0.853 177.307 176.600 -0.243 0.000 1.395 464 E CA -0.707 55.425 56.400 -0.448 0.000 1.648 464 E CB -0.047 29.556 29.700 -0.160 0.000 1.524 464 E HN 0.565 nan 8.360 nan 0.000 0.462 465 Y N 0.083 120.312 120.300 -0.119 0.000 2.293 465 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 465 Y C 2.023 177.907 175.900 -0.026 0.000 1.137 465 Y CA 0.750 58.792 58.100 -0.096 0.000 1.202 465 Y CB -0.192 38.171 38.460 -0.161 0.000 0.990 465 Y HN 0.154 nan 8.280 nan 0.000 0.537 466 R N -0.888 119.697 120.500 0.142 0.000 2.148 466 R HA -0.160 4.180 4.340 -0.000 0.000 0.223 466 R C 2.194 178.603 176.300 0.181 0.000 1.088 466 R CA 1.209 57.397 56.100 0.147 0.000 0.985 466 R CB -0.581 29.813 30.300 0.157 0.000 0.880 466 R HN 0.548 nan 8.270 nan 0.000 0.451 467 W N 1.032 122.333 121.300 0.001 0.000 2.408 467 W HA -0.138 4.522 4.660 -0.000 0.000 0.311 467 W C 1.390 177.918 176.519 0.014 0.000 1.190 467 W CA 1.015 58.357 57.345 -0.005 0.000 1.321 467 W CB -0.171 29.269 29.460 -0.033 0.000 1.143 467 W HN -0.158 nan 8.180 nan 0.000 0.501 468 V N 2.252 122.053 119.914 -0.187 0.000 2.287 468 V HA -0.341 3.778 4.120 -0.000 0.000 0.248 468 V C 2.517 178.473 176.094 -0.230 0.000 1.053 468 V CA 2.475 64.624 62.300 -0.253 0.000 1.027 468 V CB -1.504 30.375 31.823 0.093 0.000 0.646 468 V HN 0.293 nan 8.190 nan 0.000 0.447 469 V N -1.277 118.582 119.914 -0.092 0.000 2.759 469 V HA -0.206 3.914 4.120 -0.000 0.000 0.256 469 V C 2.134 178.140 176.094 -0.147 0.000 1.080 469 V CA 2.269 64.526 62.300 -0.072 0.000 1.101 469 V CB -0.652 31.182 31.823 0.018 0.000 0.698 469 V HN 0.670 nan 8.190 nan 0.000 0.477 470 E N 0.194 120.249 120.200 -0.242 0.000 2.051 470 E HA -0.115 4.235 4.350 -0.000 0.000 0.189 470 E C 2.155 178.477 176.600 -0.462 0.000 0.979 470 E CA 1.378 57.604 56.400 -0.291 0.000 0.803 470 E CB 0.163 29.733 29.700 -0.217 0.000 0.761 470 E HN 0.409 nan 8.360 nan 0.000 0.451 471 V N 0.125 119.570 119.914 -0.781 0.000 2.407 471 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 471 V C 2.149 178.004 176.094 -0.399 0.000 1.041 471 V CA 1.333 63.173 62.300 -0.766 0.000 1.040 471 V CB 0.229 31.335 31.823 -1.194 0.000 0.671 471 V HN 0.236 nan 8.190 nan 0.000 0.455 472 V N 0.977 120.704 119.914 -0.312 0.000 2.759 472 V HA -0.188 3.932 4.120 -0.000 0.000 0.256 472 V C 2.258 178.300 176.094 -0.086 0.000 1.080 472 V CA 2.097 64.305 62.300 -0.154 0.000 1.101 472 V CB -1.331 30.428 31.823 -0.107 0.000 0.698 472 V HN 0.737 nan 8.190 nan 0.000 0.477 473 N N 0.634 119.270 118.700 -0.106 0.000 2.166 473 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 473 N C 1.976 177.481 175.510 -0.007 0.000 1.019 473 N CA 1.122 54.160 53.050 -0.021 0.000 0.856 473 N CB -0.089 38.353 38.487 -0.075 0.000 0.993 473 N HN 0.256 nan 8.380 nan 0.000 0.426 474 R N 0.121 120.536 120.500 -0.141 0.000 2.103 474 R HA -0.133 4.206 4.340 -0.000 0.000 0.242 474 R C 1.948 178.266 176.300 0.030 0.000 1.142 474 R CA 0.860 56.890 56.100 -0.116 0.000 0.960 474 R CB -1.245 28.902 30.300 -0.254 0.000 0.858 474 R HN 0.364 nan 8.270 nan 0.000 0.439 475 L N 0.679 121.909 121.223 0.012 0.000 2.072 475 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 475 L C 2.161 179.073 176.870 0.069 0.000 1.079 475 L CA 1.317 56.181 54.840 0.040 0.000 0.752 475 L CB -0.409 41.656 42.059 0.009 0.000 0.906 475 L HN -0.156 nan 8.230 nan 0.000 0.436 476 V N -0.646 119.321 119.914 0.089 0.000 2.490 476 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 476 V C 2.264 178.417 176.094 0.099 0.000 1.061 476 V CA 1.985 64.334 62.300 0.081 0.000 1.064 476 V CB -0.782 31.095 31.823 0.091 0.000 0.670 476 V HN 0.386 nan 8.190 nan 0.000 0.461 477 F N -0.210 119.731 119.950 -0.016 0.000 2.512 477 F HA 0.091 4.617 4.527 -0.000 0.000 0.296 477 F C 2.277 178.080 175.800 0.006 0.000 1.110 477 F CA 0.735 58.733 58.000 -0.004 0.000 1.446 477 F CB -0.140 38.856 39.000 -0.006 0.000 1.092 477 F HN 0.109 nan 8.300 nan 0.000 0.554 478 A N -0.385 122.536 122.820 0.169 0.000 1.930 478 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 478 A C 0.734 178.349 177.584 0.052 0.000 1.176 478 A CA 0.920 53.020 52.037 0.104 0.000 0.632 478 A CB -0.165 18.893 19.000 0.096 0.000 0.819 478 A HN 0.328 nan 8.150 nan 0.000 0.445 479 E N -0.663 119.557 120.200 0.034 0.000 3.352 479 E HA 0.149 4.499 4.350 -0.000 0.000 0.254 479 E C -2.318 174.272 176.600 -0.017 0.000 1.229 479 E CA -1.609 54.796 56.400 0.007 0.000 0.949 479 E CB 1.361 31.070 29.700 0.015 0.000 1.373 479 E HN 0.285 nan 8.360 nan 0.000 0.392 480 P HA -0.175 nan 4.420 nan 0.000 0.226 480 P C 0.808 178.074 177.300 -0.057 0.000 1.153 480 P CA 1.096 64.146 63.100 -0.082 0.000 0.777 480 P CB 0.269 31.893 31.700 -0.127 0.000 0.794 481 D N -1.655 118.722 120.400 -0.039 0.000 2.277 481 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 481 D C 0.704 176.987 176.300 -0.027 0.000 0.962 481 D CA 0.284 54.267 54.000 -0.030 0.000 0.865 481 D CB -1.344 39.443 40.800 -0.021 0.000 0.939 481 D HN 0.008 nan 8.370 nan 0.000 0.510 482 N N 1.866 120.551 118.700 -0.024 0.000 2.410 482 N HA -0.074 4.666 4.740 -0.000 0.000 0.281 482 N C 1.193 176.685 175.510 -0.030 0.000 1.241 482 N CA -0.037 53.000 53.050 -0.021 0.000 0.998 482 N CB 0.284 38.763 38.487 -0.012 0.000 1.376 482 N HN 0.170 nan 8.380 nan 0.000 0.490 483 R N 3.336 123.815 120.500 -0.034 0.000 2.133 483 R HA -0.211 4.129 4.340 -0.000 0.000 0.247 483 R C 1.286 177.557 176.300 -0.050 0.000 1.151 483 R CA 1.883 57.956 56.100 -0.045 0.000 0.971 483 R CB -0.212 30.063 30.300 -0.042 0.000 0.866 483 R HN 0.581 nan 8.270 nan 0.000 0.447 484 A N 0.335 123.130 122.820 -0.042 0.000 1.968 484 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 484 A C 2.324 179.875 177.584 -0.054 0.000 1.169 484 A CA 1.327 53.335 52.037 -0.049 0.000 0.638 484 A CB -0.468 18.509 19.000 -0.039 0.000 0.812 484 A HN 0.533 nan 8.150 nan 0.000 0.446 485 A N 0.239 123.034 122.820 -0.041 0.000 1.858 485 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 485 A C 2.214 179.772 177.584 -0.044 0.000 1.190 485 A CA 1.535 53.550 52.037 -0.037 0.000 0.617 485 A CB -0.531 18.457 19.000 -0.020 0.000 0.827 485 A HN 0.517 nan 8.150 nan 0.000 0.443 486 R N -0.190 120.284 120.500 -0.044 0.000 2.096 486 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 486 R C 2.113 178.370 176.300 -0.071 0.000 1.139 486 R CA 1.652 57.722 56.100 -0.051 0.000 0.952 486 R CB -0.366 29.899 30.300 -0.059 0.000 0.854 486 R HN 0.594 nan 8.270 nan 0.000 0.436 487 E N 0.605 120.754 120.200 -0.085 0.000 2.106 487 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 487 E C 2.052 178.584 176.600 -0.113 0.000 0.984 487 E CA 0.783 57.120 56.400 -0.105 0.000 0.806 487 E CB -0.260 29.377 29.700 -0.105 0.000 0.750 487 E HN 0.201 nan 8.360 nan 0.000 0.458 488 L N 1.431 122.587 121.223 -0.113 0.000 2.093 488 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 488 L C 2.507 179.323 176.870 -0.089 0.000 1.085 488 L CA 1.729 56.480 54.840 -0.149 0.000 0.755 488 L CB -0.516 41.458 42.059 -0.142 0.000 0.904 488 L HN -0.019 nan 8.230 nan 0.000 0.435 489 Q N 0.010 119.776 119.800 -0.057 0.000 2.050 489 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 489 Q C 2.165 178.151 176.000 -0.024 0.000 0.980 489 Q CA 2.285 58.073 55.803 -0.025 0.000 0.840 489 Q CB -0.520 28.210 28.738 -0.012 0.000 0.898 489 Q HN 0.573 nan 8.270 nan 0.000 0.424 490 A N 0.402 123.193 122.820 -0.048 0.000 1.933 490 A HA -0.196 4.123 4.320 -0.000 0.000 0.218 490 A C 1.774 179.312 177.584 -0.076 0.000 1.175 490 A CA 1.797 53.798 52.037 -0.061 0.000 0.628 490 A CB -0.754 18.191 19.000 -0.092 0.000 0.814 490 A HN 0.495 nan 8.150 nan 0.000 0.444 491 D N 0.094 120.451 120.400 -0.073 0.000 2.144 491 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 491 D C 2.198 178.491 176.300 -0.012 0.000 0.984 491 D CA 1.498 55.470 54.000 -0.046 0.000 0.834 491 D CB -0.398 40.358 40.800 -0.073 0.000 0.955 491 D HN 0.437 nan 8.370 nan 0.000 0.465 492 A N 0.514 123.373 122.820 0.064 0.000 1.897 492 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 492 A C 2.366 179.834 177.584 -0.193 0.000 1.181 492 A CA 0.695 52.749 52.037 0.028 0.000 0.620 492 A CB -0.730 18.399 19.000 0.214 0.000 0.821 492 A HN 0.173 nan 8.150 nan 0.000 0.443 493 L N -0.669 120.487 121.223 -0.111 0.000 2.083 493 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 493 L C 2.629 179.358 176.870 -0.235 0.000 1.083 493 L CA 1.811 56.586 54.840 -0.109 0.000 0.752 493 L CB -0.452 41.642 42.059 0.058 0.000 0.899 493 L HN 0.584 nan 8.230 nan 0.000 0.433 494 E N -0.362 119.678 120.200 -0.266 0.000 2.077 494 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 494 E C 2.246 178.396 176.600 -0.750 0.000 0.989 494 E CA 1.106 57.232 56.400 -0.457 0.000 0.800 494 E CB 0.131 29.578 29.700 -0.421 0.000 0.746 494 E HN 0.442 nan 8.360 nan 0.000 0.452 495 Q N 0.334 119.737 119.800 -0.661 0.000 2.050 495 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 495 Q C 2.544 178.287 176.000 -0.428 0.000 0.980 495 Q CA 1.086 56.506 55.803 -0.637 0.000 0.840 495 Q CB -0.402 27.726 28.738 -1.017 0.000 0.898 495 Q HN 0.421 nan 8.270 nan 0.000 0.424 496 L N -0.070 120.855 121.223 -0.496 0.000 2.081 496 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 496 L C 2.357 178.999 176.870 -0.380 0.000 1.080 496 L CA 1.407 55.927 54.840 -0.534 0.000 0.754 496 L CB -0.878 40.518 42.059 -1.105 0.000 0.893 496 L HN 0.300 nan 8.230 nan 0.000 0.433 497 G N -1.408 107.225 108.800 -0.277 0.000 2.396 497 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.214 497 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.214 497 G C 1.252 176.269 174.900 0.196 0.000 1.166 497 G CA 0.196 45.358 45.100 0.103 0.000 0.793 497 G HN 0.199 nan 8.290 nan 0.000 0.533 498 Y N 1.349 121.684 120.300 0.058 0.000 2.193 498 Y HA -0.137 4.413 4.550 -0.000 0.000 0.285 498 Y C 2.971 178.933 175.900 0.104 0.000 1.166 498 Y CA 0.981 59.127 58.100 0.076 0.000 1.181 498 Y CB -0.798 37.686 38.460 0.040 0.000 0.976 498 Y HN 0.338 nan 8.280 nan 0.000 0.520 499 Q N -0.155 119.777 119.800 0.220 0.000 2.435 499 Q HA 0.181 4.521 4.340 -0.000 0.000 0.207 499 Q C 0.870 177.005 176.000 0.225 0.000 0.956 499 Q CA 0.381 56.306 55.803 0.203 0.000 0.917 499 Q CB -0.047 28.792 28.738 0.168 0.000 0.997 499 Q HN 0.321 nan 8.270 nan 0.000 0.497 500 A N 1.401 124.384 122.820 0.272 0.000 2.454 500 A HA -0.027 4.293 4.320 -0.000 0.000 0.260 500 A C 0.800 178.532 177.584 0.247 0.000 1.106 500 A CA -0.103 52.124 52.037 0.316 0.000 0.780 500 A CB 0.378 19.673 19.000 0.490 0.000 1.044 500 A HN 0.302 nan 8.150 nan 0.000 0.498 501 E N 2.453 122.750 120.200 0.162 0.000 2.153 501 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 501 E C 0.680 177.398 176.600 0.197 0.000 0.988 501 E CA 0.507 57.007 56.400 0.167 0.000 0.811 501 E CB 0.058 29.780 29.700 0.036 0.000 0.746 501 E HN 0.785 nan 8.360 nan 0.000 0.466 502 N N -0.313 118.431 118.700 0.073 0.000 2.444 502 N HA 0.050 4.790 4.740 -0.000 0.000 0.271 502 N C 0.342 175.978 175.510 0.210 0.000 1.069 502 N CA 0.401 53.480 53.050 0.048 0.000 0.965 502 N CB 1.570 39.854 38.487 -0.339 0.000 1.092 502 N HN 0.117 nan 8.380 nan 0.000 0.476 503 A N 3.675 126.623 122.820 0.213 0.000 1.930 503 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 503 A C 1.884 179.571 177.584 0.172 0.000 1.175 503 A CA 1.741 53.895 52.037 0.196 0.000 0.627 503 A CB -0.815 18.282 19.000 0.162 0.000 0.815 503 A HN 0.755 nan 8.150 nan 0.000 0.443 504 G N -1.896 106.990 108.800 0.144 0.000 2.422 504 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 504 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 504 G C 1.283 176.297 174.900 0.190 0.000 1.140 504 G CA 0.857 46.005 45.100 0.080 0.000 0.775 504 G HN 0.561 nan 8.290 nan 0.000 0.545 505 W N 0.825 122.120 121.300 -0.009 0.000 2.379 505 W HA 0.104 4.763 4.660 -0.000 0.000 0.307 505 W C 2.796 179.353 176.519 0.062 0.000 1.200 505 W CA 0.848 58.175 57.345 -0.029 0.000 1.297 505 W CB -0.589 28.932 29.460 0.102 0.000 1.140 505 W HN 0.190 nan 8.180 nan 0.000 0.507 506 R N 0.691 121.440 120.500 0.415 0.000 2.082 506 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 506 R C 1.843 178.277 176.300 0.223 0.000 1.136 506 R CA 2.221 58.531 56.100 0.350 0.000 0.935 506 R CB -0.948 29.532 30.300 0.300 0.000 0.842 506 R HN 0.029 nan 8.270 nan 0.000 0.430 507 N N 0.344 119.139 118.700 0.158 0.000 2.192 507 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 507 N C 1.775 177.285 175.510 0.001 0.000 1.013 507 N CA 1.757 54.856 53.050 0.082 0.000 0.863 507 N CB -0.300 38.230 38.487 0.071 0.000 0.990 507 N HN 0.265 nan 8.380 nan 0.000 0.430 508 S N 0.217 115.905 115.700 -0.021 0.000 2.345 508 S HA -0.042 4.428 4.470 -0.000 0.000 0.219 508 S C 1.638 176.143 174.600 -0.160 0.000 1.031 508 S CA 0.518 58.649 58.200 -0.116 0.000 0.984 508 S CB -0.396 62.702 63.200 -0.170 0.000 0.874 508 S HN 0.290 nan 8.310 nan 0.000 0.451 509 Y N 2.215 122.488 120.300 -0.044 0.000 2.102 509 Y HA -0.161 4.389 4.550 -0.000 0.000 0.280 509 Y C 2.159 178.005 175.900 -0.090 0.000 1.178 509 Y CA 0.899 58.966 58.100 -0.055 0.000 1.146 509 Y CB -0.823 37.629 38.460 -0.014 0.000 0.968 509 Y HN 0.193 nan 8.280 nan 0.000 0.504 510 L N -1.662 119.602 121.223 0.069 0.000 2.131 510 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 510 L C 2.315 179.172 176.870 -0.022 0.000 1.087 510 L CA 1.168 56.028 54.840 0.033 0.000 0.767 510 L CB -0.748 41.361 42.059 0.084 0.000 0.917 510 L HN 0.074 nan 8.230 nan 0.000 0.441 511 S N 0.698 116.286 115.700 -0.186 0.000 2.368 511 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 511 S C 2.253 176.589 174.600 -0.439 0.000 1.030 511 S CA 1.299 59.263 58.200 -0.392 0.000 0.999 511 S CB -0.315 62.442 63.200 -0.738 0.000 0.844 511 S HN 0.489 nan 8.310 nan 0.000 0.459 512 A N 1.703 124.246 122.820 -0.462 0.000 1.898 512 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 512 A C 2.393 179.980 177.584 0.006 0.000 1.181 512 A CA 1.597 53.557 52.037 -0.127 0.000 0.620 512 A CB -1.135 17.910 19.000 0.074 0.000 0.819 512 A HN 0.518 nan 8.150 nan 0.000 0.442 513 A N -1.575 121.245 122.820 -0.001 0.000 1.933 513 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 513 A C 2.144 179.729 177.584 0.001 0.000 1.175 513 A CA 1.655 53.687 52.037 -0.009 0.000 0.628 513 A CB -0.811 18.172 19.000 -0.027 0.000 0.814 513 A HN 0.736 nan 8.150 nan 0.000 0.444 514 Y N 0.557 120.819 120.300 -0.064 0.000 2.200 514 Y HA -0.178 4.372 4.550 -0.000 0.000 0.290 514 Y C 2.315 178.229 175.900 0.023 0.000 1.137 514 Y CA 2.145 60.254 58.100 0.015 0.000 1.163 514 Y CB -0.065 38.428 38.460 0.055 0.000 0.988 514 Y HN 0.449 nan 8.280 nan 0.000 0.518 515 E N 0.022 120.388 120.200 0.277 0.000 2.152 515 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 515 E C 2.120 178.756 176.600 0.060 0.000 0.983 515 E CA 1.132 57.661 56.400 0.215 0.000 0.818 515 E CB -0.108 29.761 29.700 0.282 0.000 0.758 515 E HN 0.508 nan 8.360 nan 0.000 0.467 516 L N 0.382 121.610 121.223 0.008 0.000 2.072 516 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 516 L C 2.457 179.243 176.870 -0.140 0.000 1.079 516 L CA 1.004 55.819 54.840 -0.041 0.000 0.752 516 L CB -0.097 41.945 42.059 -0.029 0.000 0.906 516 L HN 0.007 nan 8.230 nan 0.000 0.436 517 R N -1.351 118.983 120.500 -0.277 0.000 2.092 517 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 517 R C 1.846 177.828 176.300 -0.531 0.000 1.119 517 R CA 1.013 56.824 56.100 -0.483 0.000 0.970 517 R CB -0.128 29.710 30.300 -0.771 0.000 0.864 517 R HN 0.456 nan 8.270 nan 0.000 0.440 518 H N -1.647 117.302 119.070 -0.203 0.000 2.927 518 H HA 0.307 4.863 4.556 -0.000 0.000 0.255 518 H C 1.027 176.292 175.328 -0.104 0.000 0.974 518 H CA 0.839 56.762 56.048 -0.209 0.000 1.199 518 H CB 1.119 30.641 29.762 -0.400 0.000 1.447 518 H HN 0.317 nan 8.280 nan 0.000 0.467 519 G N 1.052 109.877 108.800 0.042 0.000 2.661 519 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.685 519 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.685 519 G C -0.401 174.552 174.900 0.089 0.000 1.298 519 G CA -0.357 44.772 45.100 0.049 0.000 0.855 519 G HN 0.489 nan 8.290 nan 0.000 0.560 520 V N -1.157 118.798 119.914 0.068 0.000 2.617 520 V HA 0.802 4.922 4.120 -0.000 0.000 0.298 520 V C -1.700 174.325 176.094 -0.115 0.000 1.048 520 V CA -1.665 60.658 62.300 0.038 0.000 0.964 520 V CB 1.195 33.104 31.823 0.144 0.000 1.004 520 V HN 0.812 nan 8.190 nan 0.000 0.466 521 P HA 0.033 nan 4.420 nan 0.000 0.252 521 P C 0.496 177.605 177.300 -0.319 0.000 1.147 521 P CA 0.658 63.444 63.100 -0.524 0.000 0.779 521 P CB 0.100 31.018 31.700 -1.303 0.000 0.733 522 R N 2.505 122.911 120.500 -0.158 0.000 2.189 522 R HA -0.083 4.257 4.340 -0.000 0.000 0.218 522 R C 1.576 177.850 176.300 -0.044 0.000 1.074 522 R CA 1.291 57.352 56.100 -0.064 0.000 0.991 522 R CB 0.067 30.348 30.300 -0.032 0.000 0.883 522 R HN 0.639 nan 8.270 nan 0.000 0.457 523 D N -0.007 120.343 120.400 -0.083 0.000 2.165 523 D HA -0.110 4.530 4.640 -0.000 0.000 0.213 523 D C 0.771 177.085 176.300 0.022 0.000 0.983 523 D CA 0.558 54.539 54.000 -0.032 0.000 0.881 523 D CB 0.031 40.805 40.800 -0.043 0.000 1.028 523 D HN 0.221 nan 8.370 nan 0.000 0.457 531 S N 0.818 116.516 115.700 -0.002 0.000 2.544 531 S HA 0.384 4.853 4.470 -0.000 0.000 0.290 531 S C 1.872 176.474 174.600 0.004 0.000 1.276 531 S CA 0.786 58.992 58.200 0.008 0.000 1.075 531 S CB 0.735 63.950 63.200 0.025 0.000 0.849 531 S HN 1.808 nan 8.310 nan 0.000 0.494 532 A N 4.684 127.507 122.820 0.006 0.000 1.933 532 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 532 A C 1.829 179.415 177.584 0.004 0.000 1.175 532 A CA 1.780 53.818 52.037 0.002 0.000 0.628 532 A CB -0.661 18.342 19.000 0.005 0.000 0.814 532 A HN 0.869 nan 8.150 nan 0.000 0.444 533 D N -0.082 120.329 120.400 0.018 0.000 2.144 533 D HA -0.001 4.639 4.640 -0.000 0.000 0.200 533 D C 2.203 178.505 176.300 0.003 0.000 0.978 533 D CA 1.451 55.464 54.000 0.022 0.000 0.833 533 D CB -0.327 40.505 40.800 0.053 0.000 0.961 533 D HN 0.420 nan 8.370 nan 0.000 0.470 534 A N 0.380 123.208 122.820 0.013 0.000 1.929 534 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 534 A C 2.130 179.687 177.584 -0.044 0.000 1.176 534 A CA 0.686 52.718 52.037 -0.008 0.000 0.628 534 A CB -0.571 18.441 19.000 0.020 0.000 0.816 534 A HN 0.237 nan 8.150 nan 0.000 0.444 535 L N -0.309 120.891 121.223 -0.038 0.000 2.093 535 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 535 L C 2.612 179.447 176.870 -0.058 0.000 1.085 535 L CA 1.935 56.743 54.840 -0.054 0.000 0.755 535 L CB -0.491 41.543 42.059 -0.042 0.000 0.904 535 L HN 0.317 nan 8.230 nan 0.000 0.435 536 A N -0.274 122.520 122.820 -0.043 0.000 2.019 536 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 536 A C 1.586 179.137 177.584 -0.055 0.000 1.164 536 A CA 1.005 53.018 52.037 -0.041 0.000 0.644 536 A CB -1.013 17.975 19.000 -0.021 0.000 0.805 536 A HN 0.521 nan 8.150 nan 0.000 0.449 540 T N 1.452 115.901 114.554 -0.177 0.000 2.788 540 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 540 T C 1.811 176.107 174.700 -0.673 0.000 1.044 540 T CA 1.383 63.192 62.100 -0.486 0.000 1.139 540 T CB -0.427 68.216 68.868 -0.374 0.000 0.867 540 T HN 0.554 nan 8.240 nan 0.000 0.454 541 G N 1.658 110.335 108.800 -0.206 0.000 2.459 541 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 541 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 541 G C 1.493 176.387 174.900 -0.011 0.000 1.183 541 G CA 0.794 45.903 45.100 0.015 0.000 0.776 541 G HN 0.420 nan 8.290 nan 0.000 0.552 542 L N 0.237 121.438 121.223 -0.036 0.000 2.127 542 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 542 L C 2.505 179.366 176.870 -0.014 0.000 1.089 542 L CA 1.593 56.428 54.840 -0.008 0.000 0.757 542 L CB -0.489 41.552 42.059 -0.030 0.000 0.899 542 L HN 0.235 nan 8.230 nan 0.000 0.434 543 L N -1.446 119.681 121.223 -0.160 0.000 2.027 543 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 543 L C 2.178 179.015 176.870 -0.054 0.000 1.074 543 L CA 1.812 56.556 54.840 -0.161 0.000 0.745 543 L CB -0.888 40.939 42.059 -0.387 0.000 0.898 543 L HN 0.175 nan 8.230 nan 0.000 0.433 544 F N 0.362 120.295 119.950 -0.028 0.000 2.234 544 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 544 F C 2.343 178.151 175.800 0.013 0.000 1.087 544 F CA 1.018 58.998 58.000 -0.033 0.000 1.340 544 F CB -1.204 37.720 39.000 -0.128 0.000 1.031 544 F HN 0.196 nan 8.300 nan 0.000 0.500 545 D N -0.949 119.577 120.400 0.209 0.000 2.104 545 D HA -0.242 4.398 4.640 -0.000 0.000 0.194 545 D C 2.122 178.541 176.300 0.198 0.000 0.994 545 D CA 1.340 55.446 54.000 0.177 0.000 0.830 545 D CB -0.745 40.146 40.800 0.152 0.000 0.959 545 D HN 0.295 nan 8.370 nan 0.000 0.452 546 Y N 1.658 122.004 120.300 0.077 0.000 2.163 546 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 546 Y C 2.260 178.225 175.900 0.108 0.000 1.136 546 Y CA 1.071 59.222 58.100 0.086 0.000 1.147 546 Y CB -0.559 37.933 38.460 0.054 0.000 0.987 546 Y HN -0.104 nan 8.280 nan 0.000 0.509 547 L N -0.449 120.766 121.223 -0.014 0.000 2.081 547 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 547 L C 2.713 179.547 176.870 -0.061 0.000 1.080 547 L CA 1.395 56.194 54.840 -0.068 0.000 0.754 547 L CB -1.446 40.702 42.059 0.148 0.000 0.893 547 L HN 0.405 nan 8.230 nan 0.000 0.433 548 G N -0.216 108.593 108.800 0.015 0.000 2.469 548 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.220 548 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.220 548 G C 1.571 176.494 174.900 0.038 0.000 1.136 548 G CA 1.026 46.138 45.100 0.020 0.000 0.759 548 G HN 0.238 nan 8.290 nan 0.000 0.562 549 V N 0.646 120.580 119.914 0.032 0.000 2.548 549 V HA -0.070 4.050 4.120 -0.000 0.000 0.249 549 V C 2.795 178.935 176.094 0.077 0.000 1.055 549 V CA 1.352 63.701 62.300 0.083 0.000 1.065 549 V CB -0.343 31.569 31.823 0.147 0.000 0.681 549 V HN 0.308 nan 8.190 nan 0.000 0.462 550 R N -0.298 120.119 120.500 -0.139 0.000 2.235 550 R HA 0.031 4.370 4.340 -0.000 0.000 0.213 550 R C 0.905 177.138 176.300 -0.111 0.000 1.059 550 R CA 0.123 56.092 56.100 -0.219 0.000 0.997 550 R CB -0.413 29.641 30.300 -0.411 0.000 0.884 550 R HN 0.374 nan 8.270 nan 0.000 0.462 551 L N 2.675 123.874 121.223 -0.040 0.000 2.525 551 L HA -0.035 4.305 4.340 -0.000 0.000 0.278 551 L C -0.045 176.827 176.870 0.003 0.000 1.218 551 L CA 0.373 55.202 54.840 -0.017 0.000 0.878 551 L CB 0.458 42.516 42.059 -0.001 0.000 1.127 551 L HN -0.091 nan 8.230 nan 0.000 0.492 552 D N 4.052 124.448 120.400 -0.007 0.000 2.428 552 D HA 0.298 4.938 4.640 -0.000 0.000 0.221 552 D C 0.742 177.049 176.300 0.011 0.000 1.123 552 D CA 0.247 54.249 54.000 0.003 0.000 0.869 552 D CB 1.627 42.419 40.800 -0.013 0.000 1.032 552 D HN 0.715 nan 8.370 nan 0.000 0.506 553 A N 3.649 126.482 122.820 0.022 0.000 1.933 553 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 553 A C 2.023 179.615 177.584 0.014 0.000 1.175 553 A CA 1.705 53.755 52.037 0.022 0.000 0.628 553 A CB -0.851 18.166 19.000 0.027 0.000 0.814 553 A HN 0.634 nan 8.150 nan 0.000 0.444 554 G N -0.202 108.605 108.800 0.012 0.000 2.514 554 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 554 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 554 G C 1.777 176.679 174.900 0.004 0.000 1.198 554 G CA 1.699 46.804 45.100 0.008 0.000 0.780 554 G HN 0.912 nan 8.290 nan 0.000 0.565 555 A N 0.601 123.422 122.820 0.002 0.000 2.024 555 A HA 0.305 4.625 4.320 -0.000 0.000 0.220 555 A C 2.624 180.205 177.584 -0.005 0.000 1.164 555 A CA 2.267 54.302 52.037 -0.002 0.000 0.643 555 A CB -0.424 18.573 19.000 -0.005 0.000 0.806 555 A HN 0.866 nan 8.150 nan 0.000 0.451 556 A N -0.799 122.019 122.820 -0.003 0.000 2.044 556 A HA 0.190 4.510 4.320 -0.000 0.000 0.213 556 A C 0.921 178.503 177.584 -0.003 0.000 1.169 556 A CA 0.267 52.300 52.037 -0.006 0.000 0.724 556 A CB -0.262 18.736 19.000 -0.003 0.000 0.840 556 A HN 0.548 nan 8.150 nan 0.000 0.463 557 E N -0.260 119.941 120.200 0.002 0.000 2.900 557 E HA 0.168 4.518 4.350 -0.000 0.000 0.259 557 E C 1.210 177.808 176.600 -0.002 0.000 0.918 557 E CA 0.878 57.279 56.400 0.002 0.000 0.960 557 E CB -0.137 29.565 29.700 0.003 0.000 0.908 557 E HN 0.772 nan 8.360 nan 0.000 0.511 558 G N 3.606 112.405 108.800 -0.002 0.000 2.176 558 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 558 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 558 G C -0.083 174.811 174.900 -0.009 0.000 0.979 558 G CA 0.203 45.300 45.100 -0.005 0.000 0.641 558 G HN 0.428 nan 8.290 nan 0.000 0.530 559 K N 0.303 120.695 120.400 -0.012 0.000 2.110 559 K HA 0.811 5.131 4.320 -0.000 0.000 0.263 559 K C -0.107 176.478 176.600 -0.024 0.000 0.975 559 K CA 0.144 56.419 56.287 -0.020 0.000 0.895 559 K CB 2.098 34.583 32.500 -0.025 0.000 1.060 559 K HN 0.973 nan 8.250 nan 0.000 0.448 560 A N 2.674 125.476 122.820 -0.031 0.000 2.429 560 A HA 0.604 4.924 4.320 -0.000 0.000 0.289 560 A C -1.352 176.205 177.584 -0.045 0.000 1.043 560 A CA -0.788 51.229 52.037 -0.034 0.000 0.722 560 A CB 0.559 19.543 19.000 -0.026 0.000 1.243 560 A HN 0.543 nan 8.150 nan 0.000 0.415 561 L N -0.062 121.126 121.223 -0.059 0.000 2.540 561 L HA 0.997 5.337 4.340 -0.000 0.000 0.256 561 L C -0.363 176.458 176.870 -0.081 0.000 1.001 561 L CA -0.571 54.227 54.840 -0.070 0.000 0.843 561 L CB 1.690 43.700 42.059 -0.083 0.000 1.436 561 L HN 1.020 nan 8.230 nan 0.000 0.410 562 S N 0.373 116.024 115.700 -0.082 0.000 2.541 562 S HA 0.934 5.404 4.470 -0.000 0.000 0.271 562 S C -1.016 173.526 174.600 -0.096 0.000 1.133 562 S CA -0.607 57.538 58.200 -0.091 0.000 0.876 562 S CB 1.519 64.678 63.200 -0.069 0.000 1.105 562 S HN 0.757 nan 8.310 nan 0.000 0.470 563 I N 2.006 122.508 120.570 -0.114 0.000 2.610 563 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 563 I C -1.164 174.891 176.117 -0.103 0.000 1.163 563 I CA -0.805 60.426 61.300 -0.115 0.000 1.044 563 I CB 2.259 40.164 38.000 -0.158 0.000 1.251 563 I HN 0.604 nan 8.210 nan 0.000 0.424 564 N N 5.807 124.467 118.700 -0.067 0.000 2.458 564 N HA 0.374 5.114 4.740 -0.000 0.000 0.270 564 N C -0.956 174.538 175.510 -0.027 0.000 1.102 564 N CA -0.321 52.704 53.050 -0.040 0.000 0.967 564 N CB 1.878 40.350 38.487 -0.025 0.000 1.078 564 N HN 0.355 nan 8.380 nan 0.000 0.471 565 L N 3.062 124.289 121.223 0.007 0.000 2.313 565 L HA 0.439 4.779 4.340 -0.000 0.000 0.283 565 L C -0.481 176.459 176.870 0.116 0.000 1.013 565 L CA -0.459 54.413 54.840 0.053 0.000 0.816 565 L CB 0.824 42.911 42.059 0.048 0.000 1.236 565 L HN 0.393 nan 8.230 nan 0.000 0.419 566 R N 5.704 126.261 120.500 0.096 0.000 2.439 566 R HA 0.589 4.929 4.340 -0.000 0.000 0.310 566 R C -1.445 174.919 176.300 0.107 0.000 0.955 566 R CA -0.722 55.435 56.100 0.095 0.000 0.853 566 R CB 1.423 31.755 30.300 0.052 0.000 1.171 566 R HN 0.479 nan 8.270 nan 0.000 0.449 567 L N 5.084 126.386 121.223 0.132 0.000 2.321 567 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 567 L C -1.760 175.158 176.870 0.080 0.000 1.050 567 L CA -1.484 53.425 54.840 0.116 0.000 0.893 567 L CB 1.329 43.478 42.059 0.151 0.000 1.272 567 L HN 0.402 nan 8.230 nan 0.000 0.435 568 P HA -0.083 nan 4.420 nan 0.000 0.221 568 P C 0.875 178.197 177.300 0.035 0.000 1.155 568 P CA 0.764 63.889 63.100 0.041 0.000 0.812 568 P CB 0.186 31.906 31.700 0.033 0.000 0.801 569 D N 1.522 121.943 120.400 0.036 0.000 2.158 569 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 569 D C 1.676 177.993 176.300 0.028 0.000 0.995 569 D CA 1.475 55.492 54.000 0.028 0.000 0.846 569 D CB -1.363 39.452 40.800 0.026 0.000 0.941 569 D HN 0.380 nan 8.370 nan 0.000 0.456 570 I N -5.172 115.421 120.570 0.038 0.000 4.018 570 I HA 0.501 4.671 4.170 -0.000 0.000 0.337 570 I C 1.262 177.403 176.117 0.040 0.000 1.327 570 I CA 0.105 61.427 61.300 0.038 0.000 1.100 570 I CB 0.277 38.303 38.000 0.043 0.000 1.025 570 I HN 0.071 nan 8.210 nan 0.000 0.396 571 G N 1.653 110.477 108.800 0.040 0.000 2.246 571 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.273 571 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.273 571 G C -0.290 174.627 174.900 0.029 0.000 1.055 571 G CA 0.278 45.395 45.100 0.029 0.000 0.851 571 G HN 0.661 nan 8.290 nan 0.000 0.500 572 E N -0.272 119.963 120.200 0.058 0.000 2.266 572 E HA 0.489 4.839 4.350 -0.000 0.000 0.268 572 E C -0.674 175.968 176.600 0.071 0.000 0.879 572 E CA -0.987 55.446 56.400 0.055 0.000 0.762 572 E CB 0.973 30.760 29.700 0.146 0.000 1.199 572 E HN 0.195 nan 8.360 nan 0.000 0.422 573 N N 2.035 120.703 118.700 -0.052 0.000 2.342 573 N HA 0.351 5.091 4.740 -0.000 0.000 0.293 573 N C -1.551 173.843 175.510 -0.194 0.000 1.026 573 N CA -0.340 52.691 53.050 -0.032 0.000 0.857 573 N CB 1.057 39.511 38.487 -0.056 0.000 1.256 573 N HN 0.358 nan 8.380 nan 0.000 0.484 574 Y N 0.364 120.689 120.300 0.042 0.000 2.524 574 Y HA 0.502 5.052 4.550 -0.000 0.000 0.344 574 Y C -0.241 175.614 175.900 -0.074 0.000 1.012 574 Y CA -1.127 56.977 58.100 0.006 0.000 1.068 574 Y CB 1.947 40.423 38.460 0.026 0.000 1.249 574 Y HN 0.305 nan 8.280 nan 0.000 0.468 575 L N 4.003 125.265 121.223 0.064 0.000 2.287 575 L HA 0.553 4.893 4.340 -0.000 0.000 0.287 575 L C -1.583 175.245 176.870 -0.071 0.000 1.022 575 L CA -0.371 54.458 54.840 -0.018 0.000 0.814 575 L CB 0.544 42.587 42.059 -0.026 0.000 1.217 575 L HN 0.498 nan 8.230 nan 0.000 0.420 576 L N 5.223 126.356 121.223 -0.150 0.000 2.296 576 L HA 0.558 4.898 4.340 -0.000 0.000 0.286 576 L C -0.425 176.350 176.870 -0.158 0.000 1.023 576 L CA -0.456 54.252 54.840 -0.220 0.000 0.812 576 L CB 1.507 43.364 42.059 -0.338 0.000 1.223 576 L HN 0.621 nan 8.230 nan 0.000 0.421 577 E N 3.410 123.524 120.200 -0.142 0.000 2.244 577 E HA 0.331 4.681 4.350 -0.000 0.000 0.260 577 E C -1.408 175.117 176.600 -0.125 0.000 0.884 577 E CA -0.702 55.633 56.400 -0.108 0.000 0.777 577 E CB 2.835 32.493 29.700 -0.070 0.000 1.197 577 E HN 0.290 nan 8.360 nan 0.000 0.416 578 L N 4.108 125.264 121.223 -0.112 0.000 2.257 578 L HA 0.490 4.830 4.340 -0.000 0.000 0.290 578 L C -0.940 175.894 176.870 -0.059 0.000 1.044 578 L CA 0.233 55.012 54.840 -0.103 0.000 0.810 578 L CB 0.329 42.329 42.059 -0.098 0.000 1.193 578 L HN 0.398 nan 8.230 nan 0.000 0.425 579 K N 3.171 123.552 120.400 -0.033 0.000 2.556 579 K HA 0.401 4.721 4.320 -0.000 0.000 0.274 579 K C -0.354 176.266 176.600 0.033 0.000 0.966 579 K CA -0.729 55.557 56.287 -0.002 0.000 0.865 579 K CB 1.382 33.884 32.500 0.002 0.000 1.444 579 K HN 0.585 nan 8.250 nan 0.000 0.433 580 N N 1.603 120.319 118.700 0.026 0.000 2.710 580 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 580 N C -1.094 174.449 175.510 0.055 0.000 1.059 580 N CA 1.559 54.631 53.050 0.036 0.000 0.720 580 N CB -1.222 37.291 38.487 0.043 0.000 0.983 580 N HN 0.750 nan 8.380 nan 0.000 0.544 581 S N -1.750 113.975 115.700 0.042 0.000 3.561 581 S HA -0.260 4.210 4.470 -0.000 0.000 0.318 581 S C -0.125 174.538 174.600 0.104 0.000 1.181 581 S CA 1.237 59.466 58.200 0.049 0.000 0.916 581 S CB -1.430 61.795 63.200 0.041 0.000 0.966 581 S HN 0.821 nan 8.310 nan 0.000 0.550 582 H N -0.527 118.539 119.070 -0.007 0.000 2.667 582 H HA 0.581 5.137 4.556 -0.000 0.000 0.353 582 H C -0.771 174.552 175.328 -0.008 0.000 1.072 582 H CA -0.932 55.115 56.048 -0.002 0.000 1.214 582 H CB 1.085 30.848 29.762 0.002 0.000 1.600 582 H HN 0.239 nan 8.280 nan 0.000 0.527 583 L N 5.981 126.927 121.223 -0.462 0.000 2.265 583 L HA 0.274 4.614 4.340 -0.000 0.000 0.288 583 L C -0.659 175.806 176.870 -0.675 0.000 1.058 583 L CA -0.309 54.267 54.840 -0.440 0.000 0.809 583 L CB 0.540 42.471 42.059 -0.214 0.000 1.179 583 L HN 0.597 nan 8.230 nan 0.000 0.429 584 N N 3.547 121.976 118.700 -0.452 0.000 2.487 584 N HA 0.379 5.119 4.740 -0.000 0.000 0.292 584 N C -1.122 174.317 175.510 -0.117 0.000 1.108 584 N CA -0.480 52.431 53.050 -0.233 0.000 0.956 584 N CB 1.531 39.962 38.487 -0.093 0.000 1.176 584 N HN 0.751 nan 8.380 nan 0.000 0.484 585 N N 0.058 118.755 118.700 -0.005 0.000 2.260 585 N HA 0.474 5.214 4.740 -0.000 0.000 0.293 585 N C -1.832 173.780 175.510 0.170 0.000 1.058 585 N CA -0.822 52.254 53.050 0.044 0.000 0.824 585 N CB 1.516 40.026 38.487 0.038 0.000 1.551 585 N HN 0.244 nan 8.380 nan 0.000 0.475 586 L N 1.237 122.574 121.223 0.189 0.000 2.372 586 L HA 0.473 4.813 4.340 -0.000 0.000 0.273 586 L C -0.088 176.812 176.870 0.049 0.000 0.989 586 L CA -0.632 54.285 54.840 0.129 0.000 0.841 586 L CB 1.159 43.245 42.059 0.044 0.000 1.225 586 L HN 0.772 nan 8.230 nan 0.000 0.414 587 R N 3.561 124.041 120.500 -0.033 0.000 2.590 587 R HA 0.437 4.777 4.340 -0.000 0.000 0.274 587 R C 0.979 177.089 176.300 -0.317 0.000 1.061 587 R CA 1.105 56.911 56.100 -0.491 0.000 1.081 587 R CB 0.428 30.568 30.300 -0.266 0.000 0.984 587 R HN 0.947 nan 8.270 nan 0.000 0.448 588 G N 1.888 110.463 108.800 -0.375 0.000 2.148 588 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 588 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 588 G C -0.402 174.424 174.900 -0.123 0.000 0.981 588 G CA 0.213 45.197 45.100 -0.193 0.000 0.670 588 G HN 0.506 nan 8.290 nan 0.000 0.528 589 V N 0.640 120.483 119.914 -0.119 0.000 2.823 589 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 589 V C -0.242 175.821 176.094 -0.051 0.000 1.072 589 V CA -0.897 61.363 62.300 -0.067 0.000 0.937 589 V CB 1.951 33.746 31.823 -0.047 0.000 1.013 589 V HN 0.330 nan 8.190 nan 0.000 0.430 590 Q N 1.424 121.201 119.800 -0.038 0.000 2.451 590 Q HA 0.663 5.003 4.340 -0.000 0.000 0.281 590 Q C -0.810 175.174 176.000 -0.027 0.000 1.099 590 Q CA -0.495 55.291 55.803 -0.030 0.000 0.806 590 Q CB 2.456 31.179 28.738 -0.025 0.000 1.419 590 Q HN 0.784 nan 8.270 nan 0.000 0.427 591 S N -0.087 115.597 115.700 -0.027 0.000 2.526 591 S HA 0.310 4.780 4.470 -0.000 0.000 0.293 591 S C 0.085 174.671 174.600 -0.023 0.000 1.092 591 S CA -0.423 57.762 58.200 -0.025 0.000 0.980 591 S CB 1.095 64.279 63.200 -0.027 0.000 1.048 591 S HN 0.506 nan 8.310 nan 0.000 0.483 592 E N 1.940 122.128 120.200 -0.020 0.000 2.204 592 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 592 E C 0.419 177.007 176.600 -0.020 0.000 0.989 592 E CA 1.156 57.545 56.400 -0.018 0.000 0.824 592 E CB 0.011 29.702 29.700 -0.015 0.000 0.756 592 E HN 0.617 nan 8.360 nan 0.000 0.477 593 D N 0.419 120.806 120.400 -0.022 0.000 2.339 593 D HA 0.133 4.773 4.640 -0.000 0.000 0.217 593 D C 0.218 176.500 176.300 -0.029 0.000 1.050 593 D CA 0.185 54.171 54.000 -0.024 0.000 0.856 593 D CB 0.024 40.811 40.800 -0.022 0.000 0.922 593 D HN 0.140 nan 8.370 nan 0.000 0.518 594 A N 0.352 123.152 122.820 -0.033 0.000 2.483 594 A HA 0.407 4.727 4.320 -0.000 0.000 0.238 594 A C 1.657 179.216 177.584 -0.042 0.000 1.070 594 A CA 0.359 52.371 52.037 -0.042 0.000 0.770 594 A CB 0.500 19.472 19.000 -0.046 0.000 1.008 594 A HN 0.197 nan 8.150 nan 0.000 0.497 595 G N -0.498 108.272 108.800 -0.050 0.000 2.623 595 G HA2 0.276 4.236 3.960 -0.000 0.000 0.214 595 G HA3 0.276 4.236 3.960 -0.000 0.000 0.214 595 G C 0.541 175.412 174.900 -0.049 0.000 1.138 595 G CA 0.971 46.043 45.100 -0.047 0.000 0.794 595 G HN 0.873 nan 8.290 nan 0.000 0.535 596 Q N -0.825 118.941 119.800 -0.056 0.000 2.391 596 Q HA 0.491 4.831 4.340 -0.000 0.000 0.279 596 Q C -1.869 174.100 176.000 -0.053 0.000 1.028 596 Q CA -0.545 55.224 55.803 -0.056 0.000 0.836 596 Q CB 1.851 30.546 28.738 -0.072 0.000 1.414 596 Q HN 0.010 nan 8.270 nan 0.000 0.397 597 T N 2.056 116.585 114.554 -0.041 0.000 2.840 597 T HA 0.534 4.884 4.350 -0.000 0.000 0.287 597 T C -1.296 173.389 174.700 -0.025 0.000 0.991 597 T CA -0.391 61.691 62.100 -0.031 0.000 0.964 597 T CB 1.351 70.206 68.868 -0.021 0.000 0.954 597 T HN 0.342 nan 8.240 nan 0.000 0.438 598 V N 3.180 123.081 119.914 -0.021 0.000 2.540 598 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 598 V C -0.114 175.990 176.094 0.017 0.000 1.035 598 V CA -0.643 61.652 62.300 -0.008 0.000 0.873 598 V CB 1.989 33.800 31.823 -0.019 0.000 0.992 598 V HN 0.912 nan 8.190 nan 0.000 0.428 599 S N 6.355 122.068 115.700 0.023 0.000 2.482 599 S HA 0.889 5.359 4.470 -0.000 0.000 0.303 599 S C -1.023 173.604 174.600 0.044 0.000 1.091 599 S CA -0.510 57.712 58.200 0.037 0.000 1.057 599 S CB 1.304 64.521 63.200 0.027 0.000 1.031 599 S HN 0.837 nan 8.310 nan 0.000 0.485 600 I N 2.576 123.182 120.570 0.059 0.000 2.739 600 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 600 I C -1.630 174.527 176.117 0.066 0.000 1.558 600 I CA -0.518 60.817 61.300 0.060 0.000 1.050 600 I CB 1.616 39.659 38.000 0.071 0.000 1.432 600 I HN 0.604 nan 8.210 nan 0.000 0.432 601 D N 5.333 125.764 120.400 0.052 0.000 2.472 601 D HA 0.023 4.663 4.640 -0.000 0.000 0.237 601 D C 0.976 177.305 176.300 0.049 0.000 1.141 601 D CA 0.092 54.121 54.000 0.048 0.000 0.875 601 D CB 1.127 41.948 40.800 0.035 0.000 1.192 601 D HN 0.453 nan 8.370 nan 0.000 0.450 602 R N 2.965 123.492 120.500 0.045 0.000 2.091 602 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 602 R C 1.792 178.100 176.300 0.013 0.000 1.136 602 R CA 2.046 58.162 56.100 0.027 0.000 0.959 602 R CB -0.877 29.432 30.300 0.016 0.000 0.856 602 R HN 0.494 nan 8.270 nan 0.000 0.437 603 A N 0.629 123.458 122.820 0.015 0.000 1.917 603 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 603 A C 1.710 179.302 177.584 0.012 0.000 1.182 603 A CA 2.149 54.192 52.037 0.010 0.000 0.633 603 A CB -0.622 18.385 19.000 0.012 0.000 0.819 603 A HN 0.472 nan 8.150 nan 0.000 0.448 604 D N -0.925 119.487 120.400 0.021 0.000 2.249 604 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 604 D C 1.826 178.140 176.300 0.024 0.000 0.962 604 D CA 0.835 54.849 54.000 0.023 0.000 0.860 604 D CB -0.178 40.639 40.800 0.029 0.000 0.955 604 D HN 0.381 nan 8.370 nan 0.000 0.505 605 L N 1.689 122.931 121.223 0.033 0.000 2.046 605 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 605 L C 1.571 178.441 176.870 0.001 0.000 1.077 605 L CA 1.586 56.450 54.840 0.040 0.000 0.747 605 L CB -0.604 41.497 42.059 0.070 0.000 0.896 605 L HN -0.141 nan 8.230 nan 0.000 0.432 606 N N 0.230 118.923 118.700 -0.011 0.000 2.043 606 N HA -0.190 4.550 4.740 -0.000 0.000 0.193 606 N C 1.870 177.366 175.510 -0.024 0.000 1.037 606 N CA 1.800 54.835 53.050 -0.025 0.000 0.851 606 N CB -0.392 38.081 38.487 -0.023 0.000 1.027 606 N HN 0.420 nan 8.380 nan 0.000 0.422 607 R N 0.922 121.415 120.500 -0.012 0.000 2.096 607 R HA -0.112 4.228 4.340 -0.000 0.000 0.240 607 R C 2.382 178.669 176.300 -0.023 0.000 1.139 607 R CA 0.838 56.931 56.100 -0.011 0.000 0.952 607 R CB -0.973 29.327 30.300 0.000 0.000 0.854 607 R HN 0.256 nan 8.270 nan 0.000 0.436 608 L N 1.142 122.351 121.223 -0.025 0.000 2.043 608 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 608 L C 2.297 179.107 176.870 -0.101 0.000 1.075 608 L CA 1.424 56.233 54.840 -0.051 0.000 0.752 608 L CB -0.148 41.888 42.059 -0.039 0.000 0.891 608 L HN 0.210 nan 8.230 nan 0.000 0.432 609 L N -0.980 120.181 121.223 -0.103 0.000 2.217 609 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 609 L C 1.934 178.755 176.870 -0.082 0.000 1.107 609 L CA 0.631 55.394 54.840 -0.128 0.000 0.783 609 L CB -0.099 41.902 42.059 -0.097 0.000 0.919 609 L HN 0.282 nan 8.230 nan 0.000 0.442 610 L N -0.160 121.031 121.223 -0.054 0.000 2.629 610 L HA 0.063 4.403 4.340 -0.000 0.000 0.230 610 L C 0.483 177.334 176.870 -0.031 0.000 1.151 610 L CA -0.114 54.705 54.840 -0.034 0.000 0.924 610 L CB 0.022 42.068 42.059 -0.023 0.000 1.137 610 L HN 0.145 nan 8.230 nan 0.000 0.457 611 K N -0.535 119.839 120.400 -0.043 0.000 3.130 611 K HA -0.266 4.054 4.320 -0.000 0.000 0.282 611 K C 0.659 177.249 176.600 -0.017 0.000 1.145 611 K CA 0.898 57.164 56.287 -0.034 0.000 0.831 611 K CB -2.018 30.464 32.500 -0.030 0.000 1.226 611 K HN 0.505 nan 8.250 nan 0.000 0.478 612 E N -0.012 120.180 120.200 -0.014 0.000 2.435 612 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 612 E C 0.610 177.211 176.600 0.003 0.000 1.029 612 E CA 0.337 56.735 56.400 -0.003 0.000 0.865 612 E CB 0.512 30.211 29.700 -0.002 0.000 0.833 612 E HN 0.165 nan 8.360 nan 0.000 0.510 613 V N -0.241 119.673 119.914 0.000 0.000 3.242 613 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 613 V C -1.340 174.757 176.094 0.006 0.000 1.352 613 V CA -0.692 61.614 62.300 0.010 0.000 1.052 613 V CB 2.363 34.195 31.823 0.015 0.000 1.101 613 V HN 0.105 nan 8.190 nan 0.000 0.446 614 S N 2.783 118.494 115.700 0.018 0.000 2.664 614 S HA 0.771 5.241 4.470 -0.000 0.000 0.304 614 S C 1.152 175.758 174.600 0.011 0.000 1.099 614 S CA 0.229 58.437 58.200 0.012 0.000 1.003 614 S CB 1.798 65.012 63.200 0.023 0.000 1.092 614 S HN 1.869 nan 8.310 nan 0.000 0.525 615 A N 1.710 124.534 122.820 0.007 0.000 1.908 615 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 615 A C 2.227 179.780 177.584 -0.051 0.000 1.181 615 A CA 1.940 53.979 52.037 0.002 0.000 0.627 615 A CB -1.402 17.614 19.000 0.026 0.000 0.818 615 A HN 1.231 nan 8.150 nan 0.000 0.445 616 V N 0.114 119.993 119.914 -0.058 0.000 2.261 616 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 616 V C 2.528 178.553 176.094 -0.115 0.000 1.047 616 V CA 2.663 64.867 62.300 -0.160 0.000 1.015 616 V CB -0.644 31.143 31.823 -0.059 0.000 0.642 616 V HN 0.688 nan 8.190 nan 0.000 0.446 617 R N -0.643 119.899 120.500 0.070 0.000 2.105 617 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 617 R C 2.241 178.597 176.300 0.093 0.000 1.135 617 R CA 2.185 58.380 56.100 0.159 0.000 0.967 617 R CB -0.361 30.010 30.300 0.118 0.000 0.861 617 R HN 0.598 nan 8.270 nan 0.000 0.442 618 L N 0.242 121.481 121.223 0.027 0.000 2.141 618 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 618 L C 2.351 179.218 176.870 -0.006 0.000 1.094 618 L CA 0.630 55.483 54.840 0.021 0.000 0.763 618 L CB -0.245 41.825 42.059 0.019 0.000 0.908 618 L HN 0.071 nan 8.230 nan 0.000 0.437 619 V N -0.703 119.156 119.914 -0.091 0.000 2.244 619 V HA -0.283 3.837 4.120 -0.000 0.000 0.244 619 V C 2.232 178.299 176.094 -0.045 0.000 1.042 619 V CA 1.821 64.045 62.300 -0.128 0.000 1.006 619 V CB -0.941 30.725 31.823 -0.261 0.000 0.641 619 V HN 0.224 nan 8.190 nan 0.000 0.446 620 F N 0.609 120.569 119.950 0.017 0.000 2.147 620 F HA -0.261 4.266 4.527 -0.000 0.000 0.301 620 F C 2.534 178.341 175.800 0.013 0.000 1.084 620 F CA 1.925 59.933 58.000 0.013 0.000 1.268 620 F CB -0.263 38.744 39.000 0.012 0.000 1.009 620 F HN 0.199 nan 8.300 nan 0.000 0.486 621 E N -0.302 120.006 120.200 0.180 0.000 2.482 621 E HA 0.059 4.409 4.350 -0.000 0.000 0.196 621 E C 1.306 177.952 176.600 0.075 0.000 1.047 621 E CA 0.369 56.834 56.400 0.108 0.000 0.869 621 E CB -0.104 29.646 29.700 0.082 0.000 0.836 621 E HN 0.406 nan 8.360 nan 0.000 0.520 622 G N 1.743 110.585 108.800 0.070 0.000 2.298 622 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.287 622 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.287 622 G C 0.502 175.423 174.900 0.034 0.000 1.075 622 G CA 0.715 45.843 45.100 0.045 0.000 0.960 622 G HN 0.261 nan 8.290 nan 0.000 0.502 623 K N -1.360 119.058 120.400 0.031 0.000 2.491 623 K HA 0.314 4.634 4.320 -0.000 0.000 0.211 623 K C 0.294 176.910 176.600 0.026 0.000 1.210 623 K CA -0.222 56.082 56.287 0.030 0.000 1.003 623 K CB 0.683 33.203 32.500 0.033 0.000 1.009 623 K HN 0.346 nan 8.250 nan 0.000 0.577 624 L N 1.813 123.045 121.223 0.015 0.000 2.433 624 L HA 0.411 4.751 4.340 -0.000 0.000 0.256 624 L C -1.357 175.511 176.870 -0.004 0.000 1.063 624 L CA -0.607 54.240 54.840 0.012 0.000 0.922 624 L CB 0.614 42.680 42.059 0.012 0.000 1.238 624 L HN -0.225 nan 8.230 nan 0.000 0.466 625 K N 1.656 122.059 120.400 0.004 0.000 2.237 625 K HA 0.657 4.977 4.320 -0.000 0.000 0.270 625 K C -0.167 176.429 176.600 -0.007 0.000 1.015 625 K CA 0.048 56.334 56.287 -0.002 0.000 0.949 625 K CB 1.180 33.684 32.500 0.006 0.000 0.976 625 K HN 0.581 nan 8.250 nan 0.000 0.472 626 S N 0.662 116.353 115.700 -0.014 0.000 2.569 626 S HA 0.713 5.183 4.470 -0.000 0.000 0.280 626 S C -1.431 173.158 174.600 -0.018 0.000 1.111 626 S CA -0.687 57.502 58.200 -0.020 0.000 0.887 626 S CB 0.990 64.172 63.200 -0.030 0.000 1.095 626 S HN 0.633 nan 8.310 nan 0.000 0.476 627 S N 1.643 117.331 115.700 -0.020 0.000 2.651 627 S HA 0.977 5.447 4.470 -0.000 0.000 0.279 627 S C 0.458 175.043 174.600 -0.026 0.000 1.148 627 S CA -0.117 58.071 58.200 -0.020 0.000 0.837 627 S CB 0.719 63.910 63.200 -0.015 0.000 1.138 627 S HN 2.203 nan 8.310 nan 0.000 0.478 628 G N 1.714 110.500 108.800 -0.024 0.000 2.512 628 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.240 628 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.240 628 G C -0.466 174.416 174.900 -0.030 0.000 1.246 628 G CA -0.098 44.986 45.100 -0.027 0.000 0.919 628 G HN 1.235 nan 8.290 nan 0.000 0.577 629 N N 2.521 121.201 118.700 -0.035 0.000 2.431 629 N HA 0.282 5.022 4.740 -0.000 0.000 0.265 629 N C -0.597 174.888 175.510 -0.042 0.000 1.184 629 N CA -1.148 51.881 53.050 -0.036 0.000 0.943 629 N CB 1.360 39.824 38.487 -0.038 0.000 1.080 629 N HN 0.273 nan 8.380 nan 0.000 0.477 630 P HA -0.010 nan 4.420 nan 0.000 0.241 630 P C 1.114 178.385 177.300 -0.048 0.000 1.191 630 P CA 0.600 63.675 63.100 -0.042 0.000 0.771 630 P CB 0.430 32.108 31.700 -0.036 0.000 0.929 631 L N -1.233 119.962 121.223 -0.047 0.000 2.492 631 L HA 0.050 4.390 4.340 -0.000 0.000 0.223 631 L C 2.517 179.345 176.870 -0.070 0.000 1.132 631 L CA 0.313 55.124 54.840 -0.049 0.000 0.850 631 L CB -0.626 41.410 42.059 -0.038 0.000 0.966 631 L HN -0.118 nan 8.230 nan 0.000 0.454 632 L N -0.758 120.413 121.223 -0.088 0.000 2.027 632 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 632 L C 2.518 179.283 176.870 -0.175 0.000 1.074 632 L CA 0.843 55.614 54.840 -0.115 0.000 0.745 632 L CB -0.488 41.503 42.059 -0.115 0.000 0.898 632 L HN 0.237 nan 8.230 nan 0.000 0.433 633 L N 0.472 121.569 121.223 -0.209 0.000 2.042 633 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 633 L C 2.377 179.007 176.870 -0.400 0.000 1.076 633 L CA 2.190 56.805 54.840 -0.377 0.000 0.749 633 L CB -1.172 40.696 42.059 -0.318 0.000 0.893 633 L HN 0.170 nan 8.230 nan 0.000 0.432 634 G N -1.749 106.959 108.800 -0.154 0.000 2.418 634 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 634 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 634 G C 1.448 176.331 174.900 -0.028 0.000 1.158 634 G CA 0.678 45.767 45.100 -0.018 0.000 0.771 634 G HN 0.529 nan 8.290 nan 0.000 0.545 635 Q N -0.673 119.087 119.800 -0.067 0.000 2.135 635 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 635 Q C 2.472 178.433 176.000 -0.065 0.000 0.981 635 Q CA 1.117 56.889 55.803 -0.053 0.000 0.856 635 Q CB -0.258 28.444 28.738 -0.061 0.000 0.902 635 Q HN 0.425 nan 8.270 nan 0.000 0.425 636 L N -0.165 120.972 121.223 -0.143 0.000 2.005 636 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 636 L C 1.886 178.724 176.870 -0.053 0.000 1.072 636 L CA 1.729 56.470 54.840 -0.164 0.000 0.744 636 L CB -0.681 41.188 42.059 -0.316 0.000 0.895 636 L HN 0.081 nan 8.230 nan 0.000 0.433 637 F N 0.517 120.443 119.950 -0.040 0.000 2.154 637 F HA 0.010 4.537 4.527 -0.000 0.000 0.301 637 F C 1.928 177.702 175.800 -0.043 0.000 1.087 637 F CA 0.340 58.318 58.000 -0.038 0.000 1.274 637 F CB -1.831 37.153 39.000 -0.026 0.000 1.009 637 F HN 0.174 nan 8.300 nan 0.000 0.485 641 G N 1.183 109.894 108.800 -0.148 0.000 2.621 641 G HA2 0.578 4.538 3.960 -0.000 0.000 0.271 641 G HA3 0.578 4.538 3.960 -0.000 0.000 0.271 641 G C -0.674 173.998 174.900 -0.380 0.000 1.236 641 G CA -0.089 44.892 45.100 -0.198 0.000 0.958 641 G HN 0.617 nan 8.290 nan 0.000 0.512 642 D N -1.893 118.279 120.400 -0.381 0.000 2.450 642 D HA 0.592 5.232 4.640 -0.000 0.000 0.238 642 D C -1.014 174.980 176.300 -0.510 0.000 1.020 642 D CA -0.888 52.821 54.000 -0.485 0.000 1.010 642 D CB 1.106 41.792 40.800 -0.190 0.000 1.342 642 D HN 0.276 nan 8.370 nan 0.000 0.530 643 F N -0.522 119.477 119.950 0.080 0.000 2.469 643 F HA 0.258 4.785 4.527 -0.000 0.000 0.332 643 F C 0.605 176.485 175.800 0.133 0.000 1.103 643 F CA -1.313 56.748 58.000 0.101 0.000 0.979 643 F CB 1.520 40.590 39.000 0.116 0.000 1.137 643 F HN 0.141 nan 8.300 nan 0.000 0.463 644 D N 2.203 122.804 120.400 0.335 0.000 2.450 644 D HA -0.081 4.559 4.640 -0.000 0.000 0.247 644 D C 0.599 177.072 176.300 0.288 0.000 1.162 644 D CA 0.418 54.594 54.000 0.293 0.000 0.879 644 D CB 0.422 41.384 40.800 0.269 0.000 1.163 644 D HN 0.446 nan 8.370 nan 0.000 0.472 645 F N 3.238 123.225 119.950 0.061 0.000 2.084 645 F HA 0.017 4.544 4.527 -0.000 0.000 0.296 645 F C 0.866 176.413 175.800 -0.422 0.000 1.111 645 F CA 0.985 58.864 58.000 -0.202 0.000 1.224 645 F CB -0.062 38.702 39.000 -0.393 0.000 0.991 645 F HN 0.460 nan 8.300 nan 0.000 0.471 646 W N 2.603 123.969 121.300 0.111 0.000 1.992 646 W HA 0.144 4.804 4.660 -0.000 0.000 0.449 646 W C -0.143 176.344 176.519 -0.053 0.000 0.617 646 W CA -0.876 56.451 57.345 -0.031 0.000 2.341 646 W CB -1.398 28.153 29.460 0.152 0.000 1.156 646 W HN -0.066 nan 8.180 nan 0.000 0.538 647 F N -0.622 119.345 119.950 0.029 0.000 2.539 647 F HA 0.162 4.689 4.527 -0.000 0.000 0.340 647 F C 0.867 176.690 175.800 0.039 0.000 1.185 647 F CA -0.924 57.091 58.000 0.024 0.000 1.333 647 F CB 0.461 39.430 39.000 -0.053 0.000 1.152 647 F HN -0.064 nan 8.300 nan 0.000 0.602 648 D N 2.194 122.793 120.400 0.332 0.000 2.414 648 D HA 0.149 4.788 4.640 -0.000 0.000 0.242 648 D C 0.749 177.202 176.300 0.256 0.000 1.129 648 D CA 0.367 54.496 54.000 0.215 0.000 0.885 648 D CB 1.932 42.794 40.800 0.104 0.000 1.198 648 D HN 0.633 nan 8.370 nan 0.000 0.437 649 I N 0.532 121.195 120.570 0.154 0.000 3.873 649 I HA -0.123 4.046 4.170 -0.000 0.000 0.284 649 I C 1.891 178.111 176.117 0.171 0.000 1.186 649 I CA 0.122 61.489 61.300 0.113 0.000 1.362 649 I CB 0.472 38.405 38.000 -0.112 0.000 1.432 649 I HN 0.249 nan 8.210 nan 0.000 0.454 650 V N -1.268 118.748 119.914 0.170 0.000 3.649 650 V HA 0.254 4.374 4.120 -0.000 0.000 0.275 650 V C 0.541 176.650 176.094 0.025 0.000 1.281 650 V CA 0.390 62.815 62.300 0.207 0.000 1.143 650 V CB -1.347 30.612 31.823 0.227 0.000 0.892 650 V HN 0.434 nan 8.190 nan 0.000 0.441 651 T N -2.521 111.909 114.554 -0.206 0.000 2.864 651 T HA 0.635 4.985 4.350 -0.000 0.000 0.299 651 T C -3.311 170.929 174.700 -0.766 0.000 1.166 651 T CA -1.915 59.800 62.100 -0.642 0.000 1.007 651 T CB 2.128 70.817 68.868 -0.299 0.000 1.219 651 T HN 0.091 nan 8.240 nan 0.000 0.506 652 P HA 0.345 nan 4.420 nan 0.000 0.270 652 P C 0.101 177.282 177.300 -0.197 0.000 1.223 652 P CA -0.229 62.612 63.100 -0.432 0.000 0.785 652 P CB -0.006 31.526 31.700 -0.280 0.000 0.923 653 A N 1.910 124.686 122.820 -0.073 0.000 2.603 653 A HA 0.289 4.609 4.320 -0.000 0.000 0.235 653 A C 0.919 178.491 177.584 -0.020 0.000 1.035 653 A CA 0.486 52.512 52.037 -0.019 0.000 0.755 653 A CB -0.751 18.250 19.000 0.001 0.000 0.954 653 A HN 0.696 nan 8.150 nan 0.000 0.511 654 A N 1.684 124.508 122.820 0.007 0.000 2.346 654 A HA 0.739 5.059 4.320 -0.000 0.000 0.252 654 A C 0.609 178.201 177.584 0.013 0.000 1.089 654 A CA 0.764 52.805 52.037 0.008 0.000 0.797 654 A CB 0.195 19.212 19.000 0.028 0.000 1.047 654 A HN 2.378 nan 8.150 nan 0.000 0.494 655 K N 0.000 120.406 120.400 0.010 0.000 2.780 655 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 655 K CA 0.000 nan 56.287 nan 0.000 0.838 655 K CB 0.000 nan 32.500 nan 0.000 1.064 655 K HN 0.000 nan 8.250 nan 0.000 0.543