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 2cfu_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 FMEAAIXXXV LAGNAMMRRA DATA SEQUENCE TYQYGTQLPK GPQGQVDMAI GKGLARGPLS LLAPTRLIEG EGEDLVLDGV DATA SEQUENCE PFTFQNTPGT ESPAEMNIWL PRQKALLMAE NVVGTLHNLY TLRGAEVRDA DATA SEQUENCE LGWSKYINQA LHRFGRQAEV MFAVHNWPRW GNAEIVEVLE KQRDLYGYLH DATA SEQUENCE DQTLHLANQG VTIGQVHNRL RLPPSLDQEW YDRGYHGSVS HNARAVLNRY DATA SEQUENCE LGYYDGNPAT LDPLSPEDSA GRYVEYMGGA ERLLEQARAS YARGEYRWVV DATA SEQUENCE EVVNRLVFAE PDNRAARELQ ADALEQLGYQ AENAGWRNSY LSAAYELRHG DATA SEQUENCE VPRDQXXXXX GSADALAAMD TGLLFDYLGV RLDAGAAEGK ALSINLRLPD DATA SEQUENCE IGENYLLELK NSHLNNLRGV QSEDAGQTVS IDRADLNRLL LKEVSAVRLV DATA SEQUENCE FEGKLKSSGN PLLLGQLFGM 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 0.000 174.656 174.700 -0.073 0.000 1.109 20 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 20 T CB 0.000 68.849 68.868 -0.031 0.000 0.612 21 T N 1.167 115.680 114.554 -0.068 0.000 3.243 21 T HA 0.705 5.055 4.350 -0.000 0.000 0.264 21 T C 0.494 175.165 174.700 -0.049 0.000 1.000 21 T CA 0.125 62.153 62.100 -0.120 0.000 0.901 21 T CB 0.110 68.908 68.868 -0.116 0.000 1.083 21 T HN 0.960 nan 8.240 nan 0.000 0.559 22 A N 1.669 124.481 122.820 -0.013 0.000 2.354 22 A HA 0.855 5.175 4.320 -0.000 0.000 0.321 22 A C -2.876 174.726 177.584 0.029 0.000 1.125 22 A CA -2.311 49.745 52.037 0.032 0.000 0.799 22 A CB 0.760 19.780 19.000 0.034 0.000 1.293 22 A HN 0.204 nan 8.150 nan 0.000 0.452 23 P HA 0.096 nan 4.420 nan 0.000 0.266 23 P C -0.572 176.793 177.300 0.109 0.000 1.193 23 P CA 0.271 63.432 63.100 0.101 0.000 0.770 23 P CB 0.389 32.182 31.700 0.155 0.000 0.836 24 K N 3.258 123.743 120.400 0.142 0.000 2.139 24 K HA 0.518 4.837 4.320 -0.000 0.000 0.243 24 K C -2.408 174.326 176.600 0.224 0.000 0.983 24 K CA -2.238 54.132 56.287 0.138 0.000 0.890 24 K CB -0.072 32.492 32.500 0.106 0.000 1.090 24 K HN 0.207 nan 8.250 nan 0.000 0.445 25 P HA 0.147 nan 4.420 nan 0.000 0.272 25 P C -2.453 174.971 177.300 0.207 0.000 1.230 25 P CA -1.139 62.032 63.100 0.118 0.000 0.788 25 P CB -0.462 31.282 31.700 0.073 0.000 0.949 26 P HA -0.018 nan 4.420 nan 0.000 0.265 26 P C 0.148 177.555 177.300 0.178 0.000 1.193 26 P CA 0.316 63.538 63.100 0.203 0.000 0.765 26 P CB 0.153 31.880 31.700 0.044 0.000 0.823 27 S N 2.081 117.915 115.700 0.223 0.000 2.617 27 S HA 0.330 4.800 4.470 -0.000 0.000 0.259 27 S C 1.602 176.293 174.600 0.151 0.000 1.301 27 S CA 0.011 58.345 58.200 0.223 0.000 0.984 27 S CB 0.347 63.753 63.200 0.343 0.000 0.954 27 S HN 0.478 nan 8.310 nan 0.000 0.572 28 A N 0.448 123.303 122.820 0.058 0.000 1.972 28 A HA 0.065 4.385 4.320 -0.000 0.000 0.219 28 A C 1.715 179.189 177.584 -0.184 0.000 1.169 28 A CA 1.270 53.232 52.037 -0.124 0.000 0.635 28 A CB -1.128 17.699 19.000 -0.288 0.000 0.810 28 A HN 0.788 nan 8.150 nan 0.000 0.446 29 F N 0.137 120.137 119.950 0.085 0.000 2.206 29 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 29 F C 2.716 178.591 175.800 0.126 0.000 1.090 29 F CA 1.670 59.713 58.000 0.071 0.000 1.323 29 F CB -0.947 38.055 39.000 0.004 0.000 1.028 29 F HN 0.096 nan 8.300 nan 0.000 0.492 30 T N -0.224 114.544 114.554 0.357 0.000 2.777 30 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 30 T C 2.290 177.091 174.700 0.169 0.000 1.040 30 T CA 1.312 63.576 62.100 0.273 0.000 1.141 30 T CB -0.519 68.516 68.868 0.277 0.000 0.868 30 T HN -0.003 nan 8.240 nan 0.000 0.444 31 V N 1.679 121.660 119.914 0.113 0.000 2.287 31 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 31 V C 2.710 178.834 176.094 0.049 0.000 1.053 31 V CA 1.672 64.005 62.300 0.056 0.000 1.027 31 V CB -0.498 31.334 31.823 0.016 0.000 0.646 31 V HN 0.431 nan 8.190 nan 0.000 0.447 32 E N 0.150 120.374 120.200 0.040 0.000 2.153 32 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 32 E C 2.277 178.923 176.600 0.077 0.000 0.988 32 E CA 1.460 57.883 56.400 0.038 0.000 0.811 32 E CB -0.187 29.522 29.700 0.015 0.000 0.746 32 E HN 0.546 nan 8.360 nan 0.000 0.466 33 A N 1.140 124.031 122.820 0.118 0.000 1.902 33 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 33 A C 2.074 179.727 177.584 0.115 0.000 1.181 33 A CA 1.337 53.451 52.037 0.128 0.000 0.623 33 A CB -0.352 18.747 19.000 0.165 0.000 0.818 33 A HN 0.186 nan 8.150 nan 0.000 0.443 34 Q N -0.280 119.584 119.800 0.107 0.000 2.084 34 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 34 Q C 2.098 178.136 176.000 0.064 0.000 0.978 34 Q CA 1.071 56.930 55.803 0.092 0.000 0.844 34 Q CB -0.482 28.297 28.738 0.069 0.000 0.898 34 Q HN 0.535 nan 8.270 nan 0.000 0.426 35 R N 0.696 121.223 120.500 0.045 0.000 2.096 35 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 35 R C 2.212 178.542 176.300 0.050 0.000 1.127 35 R CA 1.111 57.226 56.100 0.026 0.000 0.968 35 R CB -0.541 29.768 30.300 0.015 0.000 0.861 35 R HN 0.278 nan 8.270 nan 0.000 0.440 36 R N 0.735 121.275 120.500 0.066 0.000 2.081 36 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 36 R C 2.110 178.472 176.300 0.103 0.000 1.131 36 R CA 1.283 57.427 56.100 0.074 0.000 0.960 36 R CB -0.197 30.146 30.300 0.072 0.000 0.856 36 R HN -0.020 nan 8.270 nan 0.000 0.436 37 V N 1.358 121.353 119.914 0.135 0.000 2.287 37 V HA -0.262 3.857 4.120 -0.000 0.000 0.248 37 V C 2.016 178.303 176.094 0.322 0.000 1.053 37 V CA 2.276 64.704 62.300 0.213 0.000 1.027 37 V CB -0.533 31.445 31.823 0.258 0.000 0.646 37 V HN 0.455 nan 8.190 nan 0.000 0.447 38 E N 0.314 120.647 120.200 0.223 0.000 2.110 38 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 38 E C 2.271 179.006 176.600 0.224 0.000 0.988 38 E CA 1.298 57.806 56.400 0.179 0.000 0.804 38 E CB -0.350 29.286 29.700 -0.106 0.000 0.745 38 E HN 0.620 nan 8.360 nan 0.000 0.458 39 A N 1.026 123.927 122.820 0.135 0.000 1.968 39 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 39 A C 1.810 179.450 177.584 0.094 0.000 1.169 39 A CA 1.254 53.350 52.037 0.098 0.000 0.638 39 A CB -0.146 18.890 19.000 0.060 0.000 0.812 39 A HN 0.122 nan 8.150 nan 0.000 0.446 40 E N -1.033 119.229 120.200 0.102 0.000 2.276 40 E HA 0.223 4.573 4.350 -0.000 0.000 0.193 40 E C -0.122 176.471 176.600 -0.011 0.000 0.983 40 E CA -0.029 56.394 56.400 0.038 0.000 0.861 40 E CB 0.143 29.854 29.700 0.019 0.000 0.817 40 E HN 0.490 nan 8.360 nan 0.000 0.485 41 L N 1.835 123.090 121.223 0.054 0.000 2.331 41 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 41 L C -2.148 174.657 176.870 -0.108 0.000 1.022 41 L CA -2.275 52.460 54.840 -0.175 0.000 0.812 41 L CB 1.309 43.208 42.059 -0.266 0.000 1.257 41 L HN -0.174 nan 8.230 nan 0.000 0.435 42 P HA 0.063 nan 4.420 nan 0.000 0.226 42 P C 0.645 178.119 177.300 0.291 0.000 1.783 42 P CA -0.075 62.982 63.100 -0.072 0.000 0.980 42 P CB -0.302 31.259 31.700 -0.233 0.000 1.967 43 F N 1.316 121.545 119.950 0.465 0.000 2.250 43 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 43 F C 2.516 178.484 175.800 0.280 0.000 1.077 43 F CA 1.557 59.826 58.000 0.450 0.000 1.348 43 F CB -1.021 38.145 39.000 0.278 0.000 1.040 43 F HN 0.193 nan 8.300 nan 0.000 0.509 44 A N -0.879 122.151 122.820 0.350 0.000 2.019 44 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 44 A C 1.007 178.722 177.584 0.218 0.000 1.164 44 A CA 1.278 53.448 52.037 0.223 0.000 0.644 44 A CB -0.716 18.378 19.000 0.156 0.000 0.805 44 A HN 0.233 nan 8.150 nan 0.000 0.449 45 D N 0.039 120.609 120.400 0.285 0.000 2.383 45 D HA 0.180 4.820 4.640 -0.000 0.000 0.245 45 D C 0.714 177.211 176.300 0.329 0.000 1.263 45 D CA 0.045 54.227 54.000 0.304 0.000 0.936 45 D CB 0.019 41.028 40.800 0.349 0.000 1.053 45 D HN 0.293 nan 8.370 nan 0.000 0.507 46 R N 2.700 123.342 120.500 0.237 0.000 2.468 46 R HA 0.265 4.605 4.340 -0.000 0.000 0.280 46 R C 1.627 178.079 176.300 0.254 0.000 0.963 46 R CA 0.007 56.265 56.100 0.263 0.000 1.083 46 R CB 0.644 31.040 30.300 0.161 0.000 1.200 46 R HN 0.375 nan 8.270 nan 0.000 0.541 47 A N 1.395 124.335 122.820 0.201 0.000 1.978 47 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 47 A C 1.413 179.064 177.584 0.112 0.000 1.170 47 A CA 1.596 53.732 52.037 0.165 0.000 0.636 47 A CB -0.183 18.928 19.000 0.186 0.000 0.810 47 A HN 0.165 nan 8.150 nan 0.000 0.448 48 D N -0.717 119.709 120.400 0.044 0.000 2.190 48 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 48 D C 1.507 177.474 176.300 -0.555 0.000 0.992 48 D CA 1.182 55.029 54.000 -0.256 0.000 0.854 48 D CB -0.397 40.178 40.800 -0.374 0.000 0.936 48 D HN 0.549 nan 8.370 nan 0.000 0.462 49 F N 1.484 121.278 119.950 -0.260 0.000 2.171 49 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 49 F C 2.445 178.153 175.800 -0.155 0.000 1.090 49 F CA 0.965 58.825 58.000 -0.233 0.000 1.293 49 F CB -0.287 38.617 39.000 -0.160 0.000 1.013 49 F HN -0.025 nan 8.300 nan 0.000 0.486 50 E N -0.037 120.203 120.200 0.067 0.000 2.047 50 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 50 E C 2.291 178.893 176.600 0.004 0.000 0.987 50 E CA 0.972 57.391 56.400 0.031 0.000 0.799 50 E CB -0.226 29.497 29.700 0.039 0.000 0.752 50 E HN 0.369 nan 8.360 nan 0.000 0.449 51 R N 0.619 121.135 120.500 0.026 0.000 2.091 51 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 51 R C 2.335 178.706 176.300 0.118 0.000 1.136 51 R CA 1.295 57.515 56.100 0.200 0.000 0.959 51 R CB -0.367 30.142 30.300 0.349 0.000 0.856 51 R HN 0.121 nan 8.270 nan 0.000 0.437 52 A N 0.720 123.394 122.820 -0.243 0.000 2.119 52 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 52 A C 1.212 178.784 177.584 -0.021 0.000 1.153 52 A CA 1.301 53.168 52.037 -0.283 0.000 0.692 52 A CB 0.028 18.628 19.000 -0.666 0.000 0.799 52 A HN 0.136 nan 8.150 nan 0.000 0.458 53 D N -1.229 119.217 120.400 0.077 0.000 2.392 53 D HA 0.062 4.702 4.640 -0.000 0.000 0.206 53 D C 0.952 177.397 176.300 0.242 0.000 1.046 53 D CA 0.017 54.153 54.000 0.227 0.000 0.865 53 D CB -0.030 40.837 40.800 0.111 0.000 0.969 53 D HN 0.405 nan 8.370 nan 0.000 0.509 54 R N 0.156 120.730 120.500 0.123 0.000 2.522 54 R HA 0.230 4.570 4.340 -0.000 0.000 0.284 54 R C 1.002 177.399 176.300 0.161 0.000 1.032 54 R CA 1.107 57.191 56.100 -0.027 0.000 1.049 54 R CB 0.144 30.181 30.300 -0.439 0.000 0.956 54 R HN 0.133 nan 8.270 nan 0.000 0.422 55 G N 3.466 112.309 108.800 0.073 0.000 2.153 55 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.252 55 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.252 55 G C -0.111 174.911 174.900 0.204 0.000 0.994 55 G CA 0.225 45.416 45.100 0.151 0.000 0.698 55 G HN 0.569 nan 8.290 nan 0.000 0.521 56 L N 0.462 121.766 121.223 0.135 0.000 2.513 56 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 56 L C 1.382 178.145 176.870 -0.179 0.000 1.187 56 L CA 0.523 55.227 54.840 -0.228 0.000 0.895 56 L CB 0.351 42.260 42.059 -0.250 0.000 1.147 56 L HN 0.192 nan 8.230 nan 0.000 0.483 57 I N 2.767 123.190 120.570 -0.244 0.000 2.947 57 I HA 0.223 4.393 4.170 -0.000 0.000 0.263 57 I C 0.311 176.323 176.117 -0.175 0.000 1.130 57 I CA -0.084 61.131 61.300 -0.142 0.000 1.448 57 I CB 0.170 38.119 38.000 -0.085 0.000 1.222 57 I HN 0.603 nan 8.210 nan 0.000 0.453 58 R N 0.942 121.291 120.500 -0.251 0.000 2.523 58 R HA 0.318 4.657 4.340 -0.000 0.000 0.278 58 R C -1.082 175.075 176.300 -0.239 0.000 1.150 58 R CA -0.492 55.492 56.100 -0.195 0.000 0.987 58 R CB 1.062 31.291 30.300 -0.119 0.000 1.232 58 R HN -0.041 nan 8.270 nan 0.000 0.424 59 R N 5.291 125.646 120.500 -0.241 0.000 2.247 59 R HA 0.481 4.821 4.340 -0.000 0.000 0.329 59 R C -2.123 174.099 176.300 -0.129 0.000 1.014 59 R CA -1.726 54.175 56.100 -0.331 0.000 0.907 59 R CB 0.873 30.884 30.300 -0.481 0.000 1.146 59 R HN 0.423 nan 8.270 nan 0.000 0.499 60 P HA -0.049 nan 4.420 nan 0.000 0.264 60 P C 0.044 177.463 177.300 0.198 0.000 1.183 60 P CA 0.061 63.263 63.100 0.169 0.000 0.763 60 P CB 0.909 32.783 31.700 0.290 0.000 0.807 61 E N 2.677 122.950 120.200 0.122 0.000 2.049 61 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 61 E C 0.280 176.978 176.600 0.164 0.000 1.007 61 E CA 1.660 58.128 56.400 0.112 0.000 0.809 61 E CB 0.161 29.900 29.700 0.065 0.000 0.749 61 E HN 0.369 nan 8.360 nan 0.000 0.450 62 R N -0.652 119.927 120.500 0.133 0.000 2.807 62 R HA 0.472 4.812 4.340 -0.000 0.000 0.276 62 R C -1.378 174.958 176.300 0.060 0.000 0.979 62 R CA -1.118 55.036 56.100 0.089 0.000 0.928 62 R CB 1.647 31.969 30.300 0.037 0.000 1.191 62 R HN 0.019 nan 8.270 nan 0.000 0.471 63 L N 3.147 124.341 121.223 -0.049 0.000 2.325 63 L HA 0.496 4.835 4.340 -0.000 0.000 0.281 63 L C -1.733 175.068 176.870 -0.115 0.000 1.004 63 L CA -0.775 53.987 54.840 -0.131 0.000 0.823 63 L CB 1.563 43.421 42.059 -0.334 0.000 1.236 63 L HN 0.464 nan 8.230 nan 0.000 0.415 64 L N 6.853 128.038 121.223 -0.064 0.000 2.555 64 L HA 0.603 4.943 4.340 -0.000 0.000 0.264 64 L C -1.543 175.330 176.870 0.005 0.000 0.972 64 L CA -0.137 54.683 54.840 -0.033 0.000 0.876 64 L CB 1.443 43.486 42.059 -0.027 0.000 1.216 64 L HN 0.493 nan 8.230 nan 0.000 0.415 65 I N 5.203 125.803 120.570 0.049 0.000 2.378 65 I HA 0.546 4.716 4.170 -0.000 0.000 0.291 65 I C -0.099 176.062 176.117 0.073 0.000 0.992 65 I CA -0.771 60.571 61.300 0.069 0.000 1.154 65 I CB 1.207 39.264 38.000 0.094 0.000 1.315 65 I HN 0.452 nan 8.210 nan 0.000 0.448 66 R N 4.432 124.965 120.500 0.056 0.000 2.604 66 R HA 0.478 4.818 4.340 -0.000 0.000 0.287 66 R C -0.626 175.703 176.300 0.050 0.000 0.970 66 R CA -0.973 55.155 56.100 0.047 0.000 0.946 66 R CB 1.101 31.421 30.300 0.034 0.000 1.127 66 R HN 0.503 nan 8.270 nan 0.000 0.473 67 N N 1.845 120.571 118.700 0.044 0.000 2.495 67 N HA 0.222 4.962 4.740 -0.000 0.000 0.280 67 N C -1.690 173.840 175.510 0.033 0.000 1.168 67 N CA -1.752 51.322 53.050 0.040 0.000 0.978 67 N CB 0.760 39.268 38.487 0.036 0.000 1.191 67 N HN 0.128 nan 8.380 nan 0.000 0.497 68 P HA -0.141 nan 4.420 nan 0.000 0.217 68 P C 0.441 177.755 177.300 0.023 0.000 1.148 68 P CA 1.298 64.415 63.100 0.028 0.000 0.828 68 P CB 0.147 31.864 31.700 0.029 0.000 0.783 69 D N -2.164 118.249 120.400 0.021 0.000 2.349 69 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 69 D C 1.432 177.741 176.300 0.016 0.000 1.029 69 D CA 0.739 54.749 54.000 0.017 0.000 0.879 69 D CB -0.844 39.965 40.800 0.014 0.000 0.906 69 D HN 0.249 nan 8.370 nan 0.000 0.528 70 G N 0.099 108.910 108.800 0.018 0.000 2.194 70 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 70 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 70 G C 0.453 175.363 174.900 0.016 0.000 0.987 70 G CA 0.349 45.459 45.100 0.016 0.000 0.635 70 G HN 0.813 nan 8.290 nan 0.000 0.520 71 S N -0.569 115.142 115.700 0.017 0.000 2.589 71 S HA 0.592 5.062 4.470 -0.000 0.000 0.265 71 S C 0.374 174.989 174.600 0.025 0.000 1.342 71 S CA -0.035 58.175 58.200 0.017 0.000 1.005 71 S CB 2.123 65.334 63.200 0.017 0.000 0.909 71 S HN 1.060 nan 8.310 nan 0.000 0.555 72 V N 2.372 122.300 119.914 0.024 0.000 2.406 72 V HA 0.487 4.607 4.120 -0.000 0.000 0.272 72 V C 1.236 177.367 176.094 0.061 0.000 1.043 72 V CA -0.000 62.319 62.300 0.032 0.000 0.915 72 V CB 0.288 32.117 31.823 0.009 0.000 0.988 72 V HN 1.137 nan 8.190 nan 0.000 0.466 73 A N 5.255 128.132 122.820 0.095 0.000 1.930 73 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 73 A C 0.643 178.398 177.584 0.285 0.000 1.176 73 A CA 0.673 52.798 52.037 0.148 0.000 0.632 73 A CB 0.236 19.313 19.000 0.129 0.000 0.819 73 A HN 0.798 nan 8.150 nan 0.000 0.445 74 W N -0.107 121.175 121.300 -0.031 0.000 3.571 74 W HA 0.449 5.109 4.660 -0.000 0.000 0.294 74 W C -2.193 174.278 176.519 -0.080 0.000 1.257 74 W CA -0.422 56.896 57.345 -0.045 0.000 1.206 74 W CB 0.911 30.332 29.460 -0.065 0.000 1.325 74 W HN 0.446 nan 8.180 nan 0.000 0.546 75 Q N 3.516 123.007 119.800 -0.514 0.000 2.472 75 Q HA 0.428 4.768 4.340 -0.000 0.000 0.281 75 Q C -1.342 174.303 176.000 -0.592 0.000 0.997 75 Q CA -0.851 54.699 55.803 -0.423 0.000 0.828 75 Q CB 2.402 31.008 28.738 -0.219 0.000 1.443 75 Q HN 0.555 nan 8.270 nan 0.000 0.390 76 L N 0.900 121.877 121.223 -0.411 0.000 2.731 76 L HA 0.316 4.656 4.340 -0.000 0.000 0.240 76 L C 1.769 178.570 176.870 -0.117 0.000 1.120 76 L CA 0.537 55.220 54.840 -0.262 0.000 0.913 76 L CB 0.378 42.224 42.059 -0.356 0.000 1.213 76 L HN 1.058 nan 8.230 nan 0.000 0.515 77 G N 0.457 109.170 108.800 -0.145 0.000 2.462 77 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 77 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 77 G C 1.516 176.362 174.900 -0.090 0.000 1.121 77 G CA 0.812 45.863 45.100 -0.083 0.000 0.758 77 G HN 0.469 nan 8.290 nan 0.000 0.559 78 G N -0.555 108.118 108.800 -0.212 0.000 2.559 78 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 78 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 78 G C 1.155 175.939 174.900 -0.194 0.000 1.126 78 G CA 0.317 45.263 45.100 -0.258 0.000 0.778 78 G HN 0.483 nan 8.290 nan 0.000 0.543 79 Y N 0.768 121.075 120.300 0.011 0.000 2.461 79 Y HA 0.169 4.719 4.550 -0.000 0.000 0.277 79 Y C 1.702 177.448 175.900 -0.257 0.000 1.182 79 Y CA -0.724 57.291 58.100 -0.141 0.000 1.276 79 Y CB 0.279 38.620 38.460 -0.199 0.000 1.087 79 Y HN 0.085 nan 8.280 nan 0.000 0.519 80 D N 0.359 120.795 120.400 0.059 0.000 2.190 80 D HA -0.222 4.418 4.640 -0.000 0.000 0.200 80 D C 1.921 178.237 176.300 0.027 0.000 0.992 80 D CA 1.432 55.457 54.000 0.042 0.000 0.854 80 D CB -0.543 40.298 40.800 0.068 0.000 0.936 80 D HN 0.512 nan 8.370 nan 0.000 0.462 81 F N -0.008 119.969 119.950 0.046 0.000 2.307 81 F HA -0.051 4.476 4.527 -0.000 0.000 0.301 81 F C 1.872 177.702 175.800 0.051 0.000 1.076 81 F CA 0.634 58.656 58.000 0.036 0.000 1.383 81 F CB -0.935 38.080 39.000 0.025 0.000 1.055 81 F HN -0.081 nan 8.300 nan 0.000 0.526 82 L N 0.142 120.973 121.223 -0.653 0.000 2.313 82 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 82 L C 2.332 179.108 176.870 -0.157 0.000 1.119 82 L CA 0.361 54.944 54.840 -0.427 0.000 0.809 82 L CB -0.453 41.285 42.059 -0.535 0.000 0.933 82 L HN 0.266 nan 8.230 nan 0.000 0.449 83 L N 0.301 121.463 121.223 -0.102 0.000 2.131 83 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 83 L C 2.128 178.987 176.870 -0.018 0.000 1.092 83 L CA 1.178 55.999 54.840 -0.032 0.000 0.759 83 L CB -0.708 41.352 42.059 0.001 0.000 0.903 83 L HN 0.427 nan 8.230 nan 0.000 0.435 84 D N -0.121 120.274 120.400 -0.009 0.000 2.351 84 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 84 D C 1.653 177.939 176.300 -0.023 0.000 0.968 84 D CA 0.925 54.921 54.000 -0.007 0.000 0.899 84 D CB -0.441 40.364 40.800 0.009 0.000 0.907 84 D HN 0.286 nan 8.370 nan 0.000 0.514 85 G N 0.386 109.168 108.800 -0.029 0.000 2.175 85 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.265 85 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.265 85 G C 0.205 175.083 174.900 -0.037 0.000 0.979 85 G CA 0.638 45.712 45.100 -0.042 0.000 0.663 85 G HN 0.799 nan 8.290 nan 0.000 0.533 86 K N 0.612 121.001 120.400 -0.017 0.000 2.298 86 K HA 0.608 4.928 4.320 -0.000 0.000 0.280 86 K C -2.521 174.077 176.600 -0.004 0.000 1.032 86 K CA -1.855 54.423 56.287 -0.015 0.000 0.958 86 K CB 0.594 33.091 32.500 -0.005 0.000 0.978 86 K HN 0.098 nan 8.250 nan 0.000 0.472 87 P HA 0.134 nan 4.420 nan 0.000 0.271 87 P C -1.091 176.208 177.300 -0.003 0.000 1.216 87 P CA -0.322 62.766 63.100 -0.021 0.000 0.771 87 P CB 0.679 32.345 31.700 -0.057 0.000 0.864 88 R N 2.183 122.690 120.500 0.012 0.000 2.451 88 R HA 0.217 4.557 4.340 -0.000 0.000 0.307 88 R C 0.029 176.315 176.300 -0.023 0.000 0.965 88 R CA -0.546 55.555 56.100 0.001 0.000 0.865 88 R CB 1.296 31.619 30.300 0.039 0.000 1.174 88 R HN 0.359 nan 8.270 nan 0.000 0.455 89 D N 0.619 120.989 120.400 -0.049 0.000 2.378 89 D HA -0.093 4.547 4.640 -0.000 0.000 0.227 89 D C 1.241 177.473 176.300 -0.113 0.000 1.012 89 D CA 1.091 55.063 54.000 -0.046 0.000 0.905 89 D CB 0.336 41.121 40.800 -0.025 0.000 0.895 89 D HN 0.468 nan 8.370 nan 0.000 0.532 90 S N -0.381 115.162 115.700 -0.262 0.000 2.593 90 S HA 0.118 4.588 4.470 -0.000 0.000 0.217 90 S C 0.714 175.188 174.600 -0.211 0.000 0.966 90 S CA -0.315 57.506 58.200 -0.632 0.000 0.914 90 S CB -0.062 62.512 63.200 -1.043 0.000 0.776 90 S HN 0.085 nan 8.310 nan 0.000 0.523 91 I N 2.140 122.700 120.570 -0.018 0.000 2.466 91 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 91 I C -0.297 175.903 176.117 0.138 0.000 1.026 91 I CA -0.855 60.510 61.300 0.109 0.000 1.078 91 I CB 1.484 39.566 38.000 0.136 0.000 1.249 91 I HN 0.038 nan 8.210 nan 0.000 0.429 92 N N 8.618 127.432 118.700 0.190 0.000 2.359 92 N HA 0.019 4.759 4.740 -0.000 0.000 0.261 92 N C -1.573 174.076 175.510 0.231 0.000 1.267 92 N CA -0.912 52.265 53.050 0.212 0.000 0.864 92 N CB 1.253 39.884 38.487 0.241 0.000 1.063 92 N HN 0.375 nan 8.380 nan 0.000 0.474 93 P HA -0.118 nan 4.420 nan 0.000 0.220 93 P C 1.261 178.870 177.300 0.516 0.000 1.148 93 P CA 0.846 64.086 63.100 0.233 0.000 0.803 93 P CB 0.290 32.004 31.700 0.023 0.000 0.782 94 S N -0.529 115.554 115.700 0.638 0.000 2.357 94 S HA -0.103 4.366 4.470 -0.000 0.000 0.221 94 S C 1.857 176.742 174.600 0.475 0.000 1.031 94 S CA 0.622 59.222 58.200 0.666 0.000 0.982 94 S CB -1.006 62.587 63.200 0.656 0.000 0.853 94 S HN -0.022 nan 8.310 nan 0.000 0.458 95 L N 2.018 123.489 121.223 0.413 0.000 2.083 95 L HA 0.000 4.340 4.340 -0.000 0.000 0.209 95 L C 2.478 179.396 176.870 0.080 0.000 1.083 95 L CA 2.112 57.084 54.840 0.220 0.000 0.752 95 L CB -0.996 41.214 42.059 0.252 0.000 0.899 95 L HN 0.451 nan 8.230 nan 0.000 0.433 96 Q N -0.677 119.209 119.800 0.143 0.000 2.124 96 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 96 Q C 2.443 178.475 176.000 0.053 0.000 0.977 96 Q CA 1.718 57.578 55.803 0.095 0.000 0.850 96 Q CB -0.156 28.649 28.738 0.113 0.000 0.901 96 Q HN 0.523 nan 8.270 nan 0.000 0.429 97 R N -0.031 120.522 120.500 0.088 0.000 2.083 97 R HA -0.241 4.099 4.340 -0.000 0.000 0.237 97 R C 2.272 178.472 176.300 -0.168 0.000 1.137 97 R CA 1.975 58.092 56.100 0.028 0.000 0.951 97 R CB -0.163 30.085 30.300 -0.087 0.000 0.851 97 R HN 0.211 nan 8.270 nan 0.000 0.434 98 Q N 0.213 119.841 119.800 -0.285 0.000 2.124 98 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 98 Q C 1.822 177.687 176.000 -0.224 0.000 0.977 98 Q CA 2.084 57.655 55.803 -0.387 0.000 0.850 98 Q CB -0.259 27.916 28.738 -0.939 0.000 0.901 98 Q HN 0.466 nan 8.270 nan 0.000 0.429 99 A N 0.023 122.743 122.820 -0.167 0.000 1.933 99 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 99 A C 2.052 179.549 177.584 -0.145 0.000 1.175 99 A CA 1.305 53.259 52.037 -0.138 0.000 0.628 99 A CB -0.640 18.311 19.000 -0.081 0.000 0.814 99 A HN 0.456 nan 8.150 nan 0.000 0.444 100 L N -0.942 120.222 121.223 -0.097 0.000 2.044 100 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 100 L C 2.569 179.384 176.870 -0.092 0.000 1.075 100 L CA 1.042 55.856 54.840 -0.043 0.000 0.747 100 L CB -0.586 41.538 42.059 0.109 0.000 0.903 100 L HN 0.373 nan 8.230 nan 0.000 0.435 101 L N -0.099 120.965 121.223 -0.264 0.000 2.079 101 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 101 L C 2.124 178.885 176.870 -0.182 0.000 1.081 101 L CA 1.053 55.597 54.840 -0.494 0.000 0.752 101 L CB -0.617 40.865 42.059 -0.961 0.000 0.896 101 L HN 0.352 nan 8.230 nan 0.000 0.433 102 N N -0.046 118.638 118.700 -0.028 0.000 2.520 102 N HA -0.073 4.667 4.740 -0.000 0.000 0.185 102 N C 1.580 177.148 175.510 0.096 0.000 1.068 102 N CA 0.876 53.983 53.050 0.095 0.000 0.911 102 N CB -0.044 38.479 38.487 0.060 0.000 0.961 102 N HN 0.371 nan 8.380 nan 0.000 0.446 103 L N 0.147 121.397 121.223 0.044 0.000 2.591 103 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 103 L C 0.176 177.231 176.870 0.308 0.000 1.133 103 L CA 0.235 55.160 54.840 0.142 0.000 0.880 103 L CB 0.108 42.198 42.059 0.051 0.000 1.033 103 L HN -0.210 nan 8.230 nan 0.000 0.450 104 K N 1.649 122.183 120.400 0.223 0.000 2.155 104 K HA 0.145 4.465 4.320 -0.000 0.000 0.240 104 K C -0.486 176.395 176.600 0.468 0.000 1.193 104 K CA -0.082 56.361 56.287 0.260 0.000 1.104 104 K CB -0.707 31.868 32.500 0.125 0.000 1.558 104 K HN 0.117 nan 8.250 nan 0.000 0.313 105 Y N -1.263 119.262 120.300 0.374 0.000 2.545 105 Y HA 0.757 5.307 4.550 -0.000 0.000 0.324 105 Y C 0.773 176.925 175.900 0.421 0.000 1.220 105 Y CA -0.679 57.703 58.100 0.471 0.000 1.290 105 Y CB 1.063 39.770 38.460 0.411 0.000 1.355 105 Y HN 0.524 nan 8.280 nan 0.000 0.516 106 G N 0.175 109.303 108.800 0.547 0.000 2.306 106 G HA2 0.104 4.064 3.960 -0.000 0.000 0.262 106 G HA3 0.104 4.064 3.960 -0.000 0.000 0.262 106 G C -2.374 172.506 174.900 -0.033 0.000 1.263 106 G CA -0.644 44.547 45.100 0.151 0.000 1.088 106 G HN 0.986 nan 8.290 nan 0.000 0.489 107 L N 0.335 121.388 121.223 -0.284 0.000 2.282 107 L HA 0.896 5.236 4.340 -0.000 0.000 0.288 107 L C -1.055 175.625 176.870 -0.317 0.000 1.033 107 L CA -0.838 53.879 54.840 -0.204 0.000 0.807 107 L CB 0.666 42.596 42.059 -0.215 0.000 1.209 107 L HN 0.483 nan 8.230 nan 0.000 0.423 108 F N 2.620 122.623 119.950 0.089 0.000 2.576 108 F HA 0.448 4.975 4.527 -0.000 0.000 0.313 108 F C 0.059 175.982 175.800 0.204 0.000 1.078 108 F CA -0.679 57.403 58.000 0.137 0.000 0.921 108 F CB 1.750 40.839 39.000 0.150 0.000 1.232 108 F HN 0.455 nan 8.300 nan 0.000 0.459 109 E N 1.400 121.823 120.200 0.371 0.000 2.259 109 E HA 0.370 4.720 4.350 -0.000 0.000 0.281 109 E C -0.321 176.378 176.600 0.165 0.000 1.027 109 E CA -0.194 56.308 56.400 0.169 0.000 0.838 109 E CB 1.428 31.197 29.700 0.115 0.000 1.066 109 E HN 0.573 nan 8.360 nan 0.000 0.401 110 V N 3.337 123.230 119.914 -0.035 0.000 2.672 110 V HA 0.312 4.432 4.120 -0.000 0.000 0.242 110 V C 0.477 176.573 176.094 0.003 0.000 1.059 110 V CA 1.164 63.429 62.300 -0.058 0.000 1.081 110 V CB 0.296 31.762 31.823 -0.595 0.000 0.752 110 V HN 0.761 nan 8.190 nan 0.000 0.472 111 A N -0.937 121.774 122.820 -0.182 0.000 2.536 111 A HA 0.521 4.841 4.320 -0.000 0.000 0.293 111 A C -0.814 176.642 177.584 -0.214 0.000 1.119 111 A CA -0.511 51.448 52.037 -0.131 0.000 0.654 111 A CB 0.689 19.576 19.000 -0.188 0.000 1.291 111 A HN 0.141 nan 8.150 nan 0.000 0.439 112 E N 0.047 120.160 120.200 -0.145 0.000 2.493 112 E HA 0.351 4.701 4.350 -0.000 0.000 0.255 112 E C 1.174 177.677 176.600 -0.161 0.000 0.999 112 E CA 1.320 57.643 56.400 -0.128 0.000 0.934 112 E CB -0.006 29.653 29.700 -0.067 0.000 0.940 112 E HN 2.023 nan 8.360 nan 0.000 0.473 113 G N 4.412 113.107 108.800 -0.175 0.000 2.168 113 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 113 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 113 G C 0.114 174.939 174.900 -0.125 0.000 0.997 113 G CA 0.416 45.499 45.100 -0.029 0.000 0.708 113 G HN 0.550 nan 8.290 nan 0.000 0.520 114 I N -0.039 120.235 120.570 -0.494 0.000 2.439 114 I HA 0.540 4.710 4.170 -0.000 0.000 0.285 114 I C -0.441 175.320 176.117 -0.594 0.000 1.021 114 I CA -1.128 59.954 61.300 -0.364 0.000 1.091 114 I CB 1.319 39.106 38.000 -0.356 0.000 1.242 114 I HN 0.028 nan 8.210 nan 0.000 0.439 115 Y N 3.964 124.299 120.300 0.057 0.000 2.570 115 Y HA 0.615 5.165 4.550 -0.000 0.000 0.345 115 Y C -0.201 175.770 175.900 0.119 0.000 1.014 115 Y CA -0.827 57.309 58.100 0.060 0.000 1.063 115 Y CB 1.814 40.265 38.460 -0.015 0.000 1.272 115 Y HN 0.410 nan 8.280 nan 0.000 0.477 116 Q N 0.810 120.799 119.800 0.315 0.000 2.359 116 Q HA 0.624 4.964 4.340 -0.000 0.000 0.274 116 Q C -1.666 174.496 176.000 0.271 0.000 1.074 116 Q CA -1.126 54.848 55.803 0.286 0.000 0.810 116 Q CB 3.389 32.275 28.738 0.246 0.000 1.342 116 Q HN 0.435 nan 8.270 nan 0.000 0.427 117 V N 3.036 123.052 119.914 0.170 0.000 2.333 117 V HA 0.410 4.529 4.120 -0.000 0.000 0.274 117 V C -0.191 175.981 176.094 0.130 0.000 1.028 117 V CA -0.429 61.886 62.300 0.025 0.000 0.851 117 V CB 0.901 32.533 31.823 -0.318 0.000 1.000 117 V HN 0.580 nan 8.190 nan 0.000 0.456 118 R N 3.018 123.709 120.500 0.318 0.000 2.668 118 R HA 0.620 4.960 4.340 -0.000 0.000 0.279 118 R C 1.061 177.662 176.300 0.501 0.000 0.976 118 R CA -0.182 56.122 56.100 0.339 0.000 0.978 118 R CB 1.533 32.013 30.300 0.299 0.000 1.133 118 R HN 0.937 nan 8.270 nan 0.000 0.484 119 G N 1.027 110.079 108.800 0.419 0.000 2.153 119 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 119 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 119 G C 0.114 175.347 174.900 0.554 0.000 0.994 119 G CA 0.083 45.497 45.100 0.523 0.000 0.698 119 G HN 0.544 nan 8.290 nan 0.000 0.521 120 F N 0.589 120.515 119.950 -0.041 0.000 2.765 120 F HA 0.399 4.926 4.527 -0.000 0.000 0.302 120 F C 1.241 176.219 175.800 -1.371 0.000 1.111 120 F CA 0.167 57.916 58.000 -0.419 0.000 1.359 120 F CB 0.472 39.372 39.000 -0.166 0.000 1.097 120 F HN 0.251 nan 8.300 nan 0.000 0.577 121 D N -2.483 117.225 120.400 -1.155 0.000 2.827 121 D HA 0.019 4.659 4.640 -0.000 0.000 0.336 121 D C 0.493 176.500 176.300 -0.488 0.000 1.374 121 D CA -0.469 52.744 54.000 -1.311 0.000 0.794 121 D CB 0.182 40.612 40.800 -0.617 0.000 1.364 121 D HN -0.094 nan 8.370 nan 0.000 0.464 122 L N 1.353 122.479 121.223 -0.161 0.000 2.046 122 L HA 0.215 4.555 4.340 -0.000 0.000 0.208 122 L C 1.016 177.999 176.870 0.190 0.000 1.077 122 L CA 2.478 57.411 54.840 0.155 0.000 0.747 122 L CB -0.609 41.588 42.059 0.229 0.000 0.896 122 L HN 0.479 nan 8.230 nan 0.000 0.432 123 A N -1.062 121.708 122.820 -0.083 0.000 2.248 123 A HA 0.479 4.799 4.320 -0.000 0.000 0.316 123 A C -0.216 177.238 177.584 -0.217 0.000 1.101 123 A CA -0.731 51.054 52.037 -0.420 0.000 0.875 123 A CB 0.166 18.698 19.000 -0.780 0.000 1.207 123 A HN 0.362 nan 8.150 nan 0.000 0.504 124 N N -0.490 118.087 118.700 -0.205 0.000 2.482 124 N HA 0.506 5.246 4.740 -0.000 0.000 0.279 124 N C -1.023 174.457 175.510 -0.050 0.000 1.182 124 N CA -0.202 52.819 53.050 -0.048 0.000 0.969 124 N CB 1.749 40.245 38.487 0.015 0.000 1.201 124 N HN 0.644 nan 8.380 nan 0.000 0.523 125 I N -0.286 120.290 120.570 0.010 0.000 2.545 125 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 125 I C -0.919 175.230 176.117 0.053 0.000 1.040 125 I CA -0.340 60.950 61.300 -0.018 0.000 1.068 125 I CB 1.534 39.518 38.000 -0.027 0.000 1.251 125 I HN 0.273 nan 8.210 nan 0.000 0.424 126 T N 7.165 121.689 114.554 -0.051 0.000 2.807 126 T HA 0.531 4.881 4.350 -0.000 0.000 0.279 126 T C -0.936 173.680 174.700 -0.139 0.000 0.993 126 T CA -0.133 62.010 62.100 0.072 0.000 0.970 126 T CB 0.757 69.720 68.868 0.158 0.000 0.950 126 T HN 0.240 nan 8.240 nan 0.000 0.441 127 F N 2.732 122.654 119.950 -0.048 0.000 2.426 127 F HA 0.581 5.108 4.527 -0.000 0.000 0.348 127 F C 0.101 175.978 175.800 0.129 0.000 1.124 127 F CA -1.148 56.746 58.000 -0.177 0.000 1.008 127 F CB 0.945 39.439 39.000 -0.842 0.000 1.139 127 F HN 0.346 nan 8.300 nan 0.000 0.452 128 I N 3.720 124.555 120.570 0.442 0.000 2.362 128 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 128 I C 0.168 176.684 176.117 0.665 0.000 0.994 128 I CA -0.838 60.735 61.300 0.455 0.000 1.158 128 I CB 1.545 39.740 38.000 0.326 0.000 1.315 128 I HN 0.470 nan 8.210 nan 0.000 0.451 129 R N 4.964 125.835 120.500 0.618 0.000 2.343 129 R HA 0.307 4.647 4.340 -0.000 0.000 0.326 129 R C 0.129 176.529 176.300 0.168 0.000 1.055 129 R CA -0.032 56.295 56.100 0.379 0.000 0.961 129 R CB 0.415 30.901 30.300 0.311 0.000 0.978 129 R HN 0.879 nan 8.270 nan 0.000 0.443 130 G N 2.076 110.929 108.800 0.089 0.000 2.531 130 G HA2 0.035 3.995 3.960 -0.000 0.000 0.313 130 G HA3 0.035 3.995 3.960 -0.000 0.000 0.313 130 G C 0.101 174.988 174.900 -0.021 0.000 1.238 130 G CA -0.571 44.564 45.100 0.059 0.000 0.994 130 G HN 0.610 nan 8.290 nan 0.000 0.493 131 D N -0.531 119.863 120.400 -0.011 0.000 2.178 131 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 131 D C 2.367 178.631 176.300 -0.061 0.000 0.980 131 D CA 1.932 55.914 54.000 -0.031 0.000 0.842 131 D CB 0.216 41.007 40.800 -0.015 0.000 0.948 131 D HN 0.378 nan 8.370 nan 0.000 0.472 132 S N -1.720 113.940 115.700 -0.067 0.000 2.780 132 S HA 0.528 4.998 4.470 -0.000 0.000 0.248 132 S C 0.650 175.180 174.600 -0.116 0.000 1.036 132 S CA 0.132 58.284 58.200 -0.080 0.000 1.061 132 S CB 1.502 64.674 63.200 -0.047 0.000 1.037 132 S HN 0.286 nan 8.310 nan 0.000 0.584 133 G N 0.064 108.765 108.800 -0.165 0.000 2.325 133 G HA2 0.395 4.355 3.960 -0.000 0.000 0.295 133 G HA3 0.395 4.355 3.960 -0.000 0.000 0.295 133 G C -2.061 172.708 174.900 -0.218 0.000 1.274 133 G CA -1.106 43.855 45.100 -0.233 0.000 0.857 133 G HN 0.268 nan 8.290 nan 0.000 0.499 134 W N -0.474 120.888 121.300 0.103 0.000 2.313 134 W HA 0.659 5.319 4.660 -0.000 0.000 0.328 134 W C -0.093 176.450 176.519 0.038 0.000 1.197 134 W CA -0.637 56.781 57.345 0.121 0.000 1.235 134 W CB 1.304 30.879 29.460 0.190 0.000 1.158 134 W HN 0.212 nan 8.180 nan 0.000 0.578 135 I N 2.875 123.666 120.570 0.369 0.000 2.336 135 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 135 I C -0.266 175.907 176.117 0.093 0.000 0.991 135 I CA -0.565 60.835 61.300 0.166 0.000 1.227 135 I CB 0.948 39.072 38.000 0.207 0.000 1.366 135 I HN 0.010 nan 8.210 nan 0.000 0.466 136 V N 7.152 127.003 119.914 -0.104 0.000 2.435 136 V HA 0.440 4.560 4.120 -0.000 0.000 0.290 136 V C -0.194 175.774 176.094 -0.210 0.000 1.030 136 V CA -0.776 61.325 62.300 -0.333 0.000 0.881 136 V CB 1.916 33.405 31.823 -0.556 0.000 0.983 136 V HN 0.373 nan 8.190 nan 0.000 0.445 137 V N 4.801 124.618 119.914 -0.162 0.000 2.347 137 V HA 0.509 4.629 4.120 -0.000 0.000 0.280 137 V C -0.337 175.723 176.094 -0.056 0.000 1.021 137 V CA -0.385 61.883 62.300 -0.052 0.000 0.847 137 V CB 0.853 32.697 31.823 0.034 0.000 0.990 137 V HN 1.063 nan 8.190 nan 0.000 0.444 138 D N 2.999 123.408 120.400 0.015 0.000 10.852 138 D HA -0.162 4.478 4.640 -0.000 0.000 0.361 138 D C 0.555 176.847 176.300 -0.013 0.000 3.101 138 D CA 1.295 55.345 54.000 0.084 0.000 2.575 138 D CB -0.267 40.629 40.800 0.159 0.000 1.168 138 D HN 0.942 nan 8.370 nan 0.000 0.953 139 T N -2.499 112.060 114.554 0.007 0.000 3.403 139 T HA 0.505 4.855 4.350 -0.000 0.000 0.308 139 T C 0.988 175.651 174.700 -0.061 0.000 0.952 139 T CA 0.475 62.562 62.100 -0.022 0.000 0.970 139 T CB -0.169 68.740 68.868 0.068 0.000 1.189 139 T HN 0.665 nan 8.240 nan 0.000 0.528 140 L N -0.414 120.727 121.223 -0.137 0.000 5.621 140 L HA -0.251 4.088 4.340 -0.000 0.000 0.281 140 L C 1.444 178.189 176.870 -0.207 0.000 1.106 140 L CA 0.823 55.544 54.840 -0.198 0.000 1.259 140 L CB -1.576 40.396 42.059 -0.144 0.000 2.049 140 L HN 0.318 nan 8.230 nan 0.000 0.852 141 T N -2.597 111.840 114.554 -0.196 0.000 3.051 141 T HA 0.072 4.422 4.350 -0.000 0.000 0.255 141 T C 0.445 175.077 174.700 -0.113 0.000 1.085 141 T CA 1.487 63.476 62.100 -0.185 0.000 1.109 141 T CB 0.149 68.925 68.868 -0.153 0.000 0.921 141 T HN 0.621 nan 8.240 nan 0.000 0.488 142 T N 0.416 114.930 114.554 -0.068 0.000 2.932 142 T HA 0.353 4.703 4.350 -0.000 0.000 0.318 142 T C -2.450 172.256 174.700 0.009 0.000 1.265 142 T CA -1.576 60.513 62.100 -0.019 0.000 1.036 142 T CB 1.861 70.725 68.868 -0.007 0.000 1.209 142 T HN -0.313 nan 8.240 nan 0.000 0.484 143 P HA -0.053 nan 4.420 nan 0.000 0.216 143 P C 1.259 178.600 177.300 0.068 0.000 1.150 143 P CA 1.445 64.578 63.100 0.055 0.000 0.843 143 P CB 0.084 31.819 31.700 0.059 0.000 0.787 144 A N -0.523 122.333 122.820 0.061 0.000 1.933 144 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 144 A C 2.267 179.907 177.584 0.093 0.000 1.175 144 A CA 2.538 54.620 52.037 0.076 0.000 0.628 144 A CB -1.914 17.126 19.000 0.067 0.000 0.814 144 A HN 0.353 nan 8.150 nan 0.000 0.444 145 T N -2.352 112.240 114.554 0.063 0.000 2.812 145 T HA 0.145 4.495 4.350 -0.000 0.000 0.264 145 T C 2.008 176.792 174.700 0.141 0.000 1.042 145 T CA 1.510 63.652 62.100 0.071 0.000 1.140 145 T CB -0.638 68.181 68.868 -0.083 0.000 0.870 145 T HN 0.541 nan 8.240 nan 0.000 0.445 146 A N 2.227 125.100 122.820 0.087 0.000 1.883 146 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 146 A C 2.487 180.182 177.584 0.186 0.000 1.186 146 A CA 2.115 54.216 52.037 0.107 0.000 0.624 146 A CB -0.815 18.223 19.000 0.064 0.000 0.822 146 A HN 0.467 nan 8.150 nan 0.000 0.444 147 R N 0.084 120.693 120.500 0.181 0.000 2.081 147 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 147 R C 2.178 178.608 176.300 0.216 0.000 1.131 147 R CA 1.942 58.174 56.100 0.220 0.000 0.960 147 R CB -0.934 29.465 30.300 0.164 0.000 0.856 147 R HN 0.402 nan 8.270 nan 0.000 0.436 148 A N 0.201 123.155 122.820 0.223 0.000 1.940 148 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 148 A C 2.369 180.148 177.584 0.324 0.000 1.176 148 A CA 1.932 54.147 52.037 0.297 0.000 0.631 148 A CB -1.070 18.141 19.000 0.352 0.000 0.814 148 A HN 0.502 nan 8.150 nan 0.000 0.446 149 A N -1.521 121.428 122.820 0.214 0.000 1.873 149 A HA -0.096 4.223 4.320 -0.000 0.000 0.215 149 A C 2.163 179.699 177.584 -0.079 0.000 1.186 149 A CA 1.666 53.603 52.037 -0.167 0.000 0.616 149 A CB -0.827 18.102 19.000 -0.118 0.000 0.823 149 A HN 0.671 nan 8.150 nan 0.000 0.442 150 Y N 1.143 121.429 120.300 -0.023 0.000 2.224 150 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 150 Y C 2.128 177.959 175.900 -0.115 0.000 1.146 150 Y CA 1.862 59.922 58.100 -0.065 0.000 1.182 150 Y CB -0.624 37.925 38.460 0.149 0.000 0.983 150 Y HN 0.533 nan 8.280 nan 0.000 0.524 151 E N -0.591 119.578 120.200 -0.051 0.000 2.077 151 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 151 E C 2.094 178.629 176.600 -0.108 0.000 0.989 151 E CA 1.173 57.500 56.400 -0.122 0.000 0.800 151 E CB -0.386 29.297 29.700 -0.027 0.000 0.746 151 E HN 0.364 nan 8.360 nan 0.000 0.452 152 L N 0.746 121.921 121.223 -0.080 0.000 2.017 152 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 152 L C 2.226 178.965 176.870 -0.217 0.000 1.073 152 L CA 1.425 56.201 54.840 -0.107 0.000 0.745 152 L CB -0.500 41.491 42.059 -0.113 0.000 0.894 152 L HN -0.048 nan 8.230 nan 0.000 0.432 153 V N -0.606 119.091 119.914 -0.361 0.000 2.282 153 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 153 V C 2.604 178.555 176.094 -0.237 0.000 1.057 153 V CA 2.081 64.090 62.300 -0.485 0.000 1.032 153 V CB -0.848 30.359 31.823 -1.027 0.000 0.645 153 V HN 0.554 nan 8.190 nan 0.000 0.447 154 S N -0.874 114.721 115.700 -0.176 0.000 2.368 154 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 154 S C 2.067 176.615 174.600 -0.086 0.000 1.029 154 S CA 1.295 59.437 58.200 -0.097 0.000 0.988 154 S CB -0.317 62.762 63.200 -0.201 0.000 0.838 154 S HN 0.514 nan 8.310 nan 0.000 0.462 155 R N 0.880 121.320 120.500 -0.101 0.000 2.091 155 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 155 R C 2.106 178.364 176.300 -0.070 0.000 1.136 155 R CA 1.225 57.282 56.100 -0.072 0.000 0.959 155 R CB -0.176 30.090 30.300 -0.057 0.000 0.856 155 R HN 0.391 nan 8.270 nan 0.000 0.437 156 E N 0.080 120.221 120.200 -0.098 0.000 2.140 156 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 156 E C 1.883 178.426 176.600 -0.095 0.000 0.973 156 E CA 0.795 57.135 56.400 -0.100 0.000 0.829 156 E CB 0.252 29.871 29.700 -0.135 0.000 0.781 156 E HN 0.325 nan 8.360 nan 0.000 0.466 157 L N -0.545 120.617 121.223 -0.102 0.000 2.664 157 L HA 0.329 4.669 4.340 -0.000 0.000 0.233 157 L C 0.652 177.527 176.870 0.008 0.000 1.113 157 L CA 0.149 54.952 54.840 -0.062 0.000 0.896 157 L CB 0.554 42.542 42.059 -0.118 0.000 1.163 157 L HN 0.053 nan 8.230 nan 0.000 0.497 158 G N 1.486 110.290 108.800 0.005 0.000 2.784 158 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 158 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 158 G C -0.682 174.250 174.900 0.053 0.000 1.156 158 G CA -0.762 44.342 45.100 0.006 0.000 0.757 158 G HN 0.167 nan 8.290 nan 0.000 0.642 159 E N 0.974 121.186 120.200 0.021 0.000 2.360 159 E HA 0.557 4.907 4.350 -0.000 0.000 0.269 159 E C 0.412 177.046 176.600 0.057 0.000 1.022 159 E CA -0.182 56.249 56.400 0.051 0.000 0.887 159 E CB 0.453 30.144 29.700 -0.015 0.000 0.990 159 E HN 0.561 nan 8.360 nan 0.000 0.426 160 R N 4.209 124.804 120.500 0.157 0.000 2.651 160 R HA 0.369 4.709 4.340 -0.000 0.000 0.278 160 R C -2.575 173.844 176.300 0.199 0.000 1.010 160 R CA -2.127 53.965 56.100 -0.014 0.000 0.896 160 R CB 1.768 31.754 30.300 -0.524 0.000 1.211 160 R HN 0.480 nan 8.270 nan 0.000 0.456 161 P HA 0.127 nan 4.420 nan 0.000 0.271 161 P C -0.441 176.966 177.300 0.179 0.000 1.218 161 P CA -0.062 63.141 63.100 0.172 0.000 0.780 161 P CB 0.598 32.342 31.700 0.074 0.000 0.901 162 I N 3.504 124.177 120.570 0.171 0.000 2.325 162 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 162 I C 1.690 177.830 176.117 0.038 0.000 1.019 162 I CA -0.340 61.024 61.300 0.107 0.000 1.302 162 I CB 1.074 39.037 38.000 -0.063 0.000 1.401 162 I HN 0.254 nan 8.210 nan 0.000 0.485 163 R N 3.117 123.636 120.500 0.030 0.000 2.175 163 R HA 0.224 4.564 4.340 -0.000 0.000 0.202 163 R C -0.091 176.176 176.300 -0.055 0.000 1.018 163 R CA 0.551 56.644 56.100 -0.012 0.000 1.029 163 R CB 0.403 30.698 30.300 -0.008 0.000 0.959 163 R HN 0.517 nan 8.270 nan 0.000 0.480 164 T N 0.742 115.254 114.554 -0.070 0.000 2.993 164 T HA 0.390 4.740 4.350 -0.000 0.000 0.312 164 T C -1.070 173.525 174.700 -0.176 0.000 1.115 164 T CA -0.424 61.591 62.100 -0.141 0.000 1.027 164 T CB 3.062 71.832 68.868 -0.164 0.000 1.116 164 T HN -0.275 nan 8.240 nan 0.000 0.464 165 V N 3.993 123.754 119.914 -0.255 0.000 2.448 165 V HA 0.586 4.706 4.120 -0.000 0.000 0.295 165 V C -0.541 175.298 176.094 -0.424 0.000 1.025 165 V CA -0.740 61.372 62.300 -0.314 0.000 0.859 165 V CB 1.595 33.220 31.823 -0.330 0.000 0.988 165 V HN 0.769 nan 8.190 nan 0.000 0.431 166 I N 4.751 125.121 120.570 -0.333 0.000 2.433 166 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 166 I C -1.183 174.798 176.117 -0.226 0.000 1.001 166 I CA -0.723 60.382 61.300 -0.325 0.000 1.119 166 I CB 1.746 39.675 38.000 -0.119 0.000 1.289 166 I HN 0.464 nan 8.210 nan 0.000 0.438 167 Y N 4.181 124.349 120.300 -0.220 0.000 2.350 167 Y HA 0.130 4.680 4.550 -0.000 0.000 0.340 167 Y C 1.601 177.460 175.900 -0.068 0.000 1.006 167 Y CA -1.097 56.910 58.100 -0.155 0.000 1.166 167 Y CB 1.314 39.567 38.460 -0.345 0.000 1.168 167 Y HN 0.663 nan 8.280 nan 0.000 0.502 168 S N 1.939 117.740 115.700 0.169 0.000 2.402 168 S HA -0.065 4.405 4.470 -0.000 0.000 0.229 168 S C 0.371 175.091 174.600 0.201 0.000 1.021 168 S CA 1.450 59.736 58.200 0.142 0.000 0.974 168 S CB -0.475 62.799 63.200 0.123 0.000 0.800 168 S HN 0.853 nan 8.310 nan 0.000 0.484 169 H N -2.013 117.069 119.070 0.020 0.000 2.950 169 H HA 0.559 5.115 4.556 -0.000 0.000 0.307 169 H C -1.143 174.283 175.328 0.162 0.000 1.403 169 H CA -0.483 55.563 56.048 -0.004 0.000 1.145 169 H CB 0.889 30.495 29.762 -0.259 0.000 1.844 169 H HN 0.104 nan 8.280 nan 0.000 0.515 170 A N 1.715 124.543 122.820 0.013 0.000 3.135 170 A HA 0.237 4.557 4.320 -0.000 0.000 0.253 170 A C -0.590 176.985 177.584 -0.015 0.000 1.638 170 A CA -0.129 51.822 52.037 -0.143 0.000 1.295 170 A CB -1.555 17.158 19.000 -0.478 0.000 1.106 170 A HN 0.592 nan 8.150 nan 0.000 0.648 171 H N -0.933 118.124 119.070 -0.022 0.000 2.572 171 H HA 0.457 5.013 4.556 -0.000 0.000 0.359 171 H C 1.250 176.229 175.328 -0.583 0.000 1.134 171 H CA -0.485 55.508 56.048 -0.092 0.000 1.187 171 H CB 2.062 31.857 29.762 0.054 0.000 1.597 171 H HN 0.355 nan 8.280 nan 0.000 0.524 172 A N 1.895 124.304 122.820 -0.685 0.000 2.024 172 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 172 A C 1.674 178.830 177.584 -0.713 0.000 1.164 172 A CA 1.838 53.135 52.037 -1.234 0.000 0.643 172 A CB -0.357 18.281 19.000 -0.603 0.000 0.806 172 A HN 0.888 nan 8.150 nan 0.000 0.451 173 D N -1.794 118.392 120.400 -0.357 0.000 2.352 173 D HA -0.106 4.534 4.640 -0.000 0.000 0.232 173 D C 0.957 176.840 176.300 -0.695 0.000 1.055 173 D CA 0.764 54.541 54.000 -0.372 0.000 0.891 173 D CB -0.509 40.184 40.800 -0.179 0.000 0.897 173 D HN 0.712 nan 8.370 nan 0.000 0.529 174 H N -0.831 118.049 119.070 -0.316 0.000 2.926 174 H HA 0.087 4.643 4.556 -0.000 0.000 0.249 174 H C 1.113 176.361 175.328 -0.133 0.000 0.963 174 H CA 0.308 56.230 56.048 -0.210 0.000 1.158 174 H CB 0.135 29.748 29.762 -0.250 0.000 1.445 174 H HN 0.224 nan 8.280 nan 0.000 0.452 175 F N 0.040 119.932 119.950 -0.097 0.000 2.731 175 F HA 0.471 4.998 4.527 -0.000 0.000 0.298 175 F C 2.029 177.760 175.800 -0.115 0.000 1.106 175 F CA 0.222 58.052 58.000 -0.283 0.000 1.329 175 F CB -0.642 37.987 39.000 -0.619 0.000 1.100 175 F HN -0.082 nan 8.300 nan 0.000 0.592 176 G N 0.879 109.546 108.800 -0.222 0.000 2.448 176 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.219 176 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.219 176 G C 1.634 176.546 174.900 0.019 0.000 1.127 176 G CA 0.665 45.715 45.100 -0.084 0.000 0.766 176 G HN 0.609 nan 8.290 nan 0.000 0.552 177 G N -0.471 108.333 108.800 0.007 0.000 3.337 177 G HA2 0.219 4.179 3.960 -0.000 0.000 0.246 177 G HA3 0.219 4.179 3.960 -0.000 0.000 0.246 177 G C 1.278 176.218 174.900 0.068 0.000 1.131 177 G CA 0.555 45.672 45.100 0.027 0.000 0.773 177 G HN 0.249 nan 8.290 nan 0.000 0.544 178 V N 0.923 120.909 119.914 0.119 0.000 2.380 178 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 178 V C 2.666 178.814 176.094 0.090 0.000 1.063 178 V CA 1.930 64.312 62.300 0.136 0.000 1.055 178 V CB -0.269 31.711 31.823 0.262 0.000 0.657 178 V HN 0.448 nan 8.190 nan 0.000 0.455 179 R N -0.180 120.373 120.500 0.089 0.000 2.328 179 R HA -0.024 4.316 4.340 -0.000 0.000 0.207 179 R C 2.061 178.406 176.300 0.075 0.000 1.056 179 R CA 0.779 56.922 56.100 0.073 0.000 1.016 179 R CB -0.545 29.795 30.300 0.066 0.000 0.872 179 R HN 0.640 nan 8.270 nan 0.000 0.471 180 G N -0.115 108.733 108.800 0.080 0.000 2.712 180 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 180 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 180 G C 1.210 176.188 174.900 0.128 0.000 1.142 180 G CA 0.106 45.266 45.100 0.101 0.000 0.789 180 G HN 0.148 nan 8.290 nan 0.000 0.535 181 L N -0.513 120.759 121.223 0.081 0.000 2.526 181 L HA 0.301 4.641 4.340 -0.000 0.000 0.210 181 L C 0.583 177.475 176.870 0.038 0.000 1.048 181 L CA 0.146 55.007 54.840 0.035 0.000 0.852 181 L CB 0.345 42.354 42.059 -0.083 0.000 1.128 181 L HN 0.112 nan 8.230 nan 0.000 0.482 182 V N -2.355 117.577 119.914 0.031 0.000 3.130 182 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 182 V C -1.191 174.925 176.094 0.036 0.000 1.158 182 V CA -0.798 61.518 62.300 0.026 0.000 1.029 182 V CB 2.010 33.824 31.823 -0.015 0.000 1.057 182 V HN 0.321 nan 8.190 nan 0.000 0.436 183 E N 1.364 121.583 120.200 0.031 0.000 2.299 183 E HA 0.594 4.944 4.350 -0.000 0.000 0.265 183 E C -2.536 174.074 176.600 0.017 0.000 0.911 183 E CA -2.064 54.354 56.400 0.030 0.000 0.789 183 E CB 2.141 31.862 29.700 0.035 0.000 1.246 183 E HN 0.348 nan 8.360 nan 0.000 0.427 184 P HA -0.276 nan 4.420 nan 0.000 0.216 184 P C 1.319 178.620 177.300 0.002 0.000 1.150 184 P CA 1.961 65.065 63.100 0.007 0.000 0.843 184 P CB 0.069 31.775 31.700 0.010 0.000 0.787 185 Q N -0.136 119.668 119.800 0.007 0.000 2.226 185 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 185 Q C 1.999 177.999 176.000 0.000 0.000 0.975 185 Q CA 1.632 57.437 55.803 0.004 0.000 0.866 185 Q CB -1.383 27.359 28.738 0.008 0.000 0.915 185 Q HN 0.301 nan 8.270 nan 0.000 0.440 186 Q N 0.152 119.953 119.800 0.002 0.000 2.079 186 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 186 Q C 2.183 178.172 176.000 -0.018 0.000 0.974 186 Q CA 1.611 57.412 55.803 -0.004 0.000 0.840 186 Q CB 0.022 28.761 28.738 0.002 0.000 0.898 186 Q HN 0.337 nan 8.270 nan 0.000 0.430 187 V N 0.866 120.766 119.914 -0.023 0.000 2.307 187 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 187 V C 2.265 178.340 176.094 -0.032 0.000 1.045 187 V CA 1.783 64.060 62.300 -0.038 0.000 1.024 187 V CB -0.994 30.804 31.823 -0.041 0.000 0.651 187 V HN 0.389 nan 8.190 nan 0.000 0.449 188 A N 0.925 123.733 122.820 -0.021 0.000 1.908 188 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 188 A C 2.448 180.022 177.584 -0.017 0.000 1.181 188 A CA 2.363 54.389 52.037 -0.017 0.000 0.627 188 A CB -0.718 18.276 19.000 -0.010 0.000 0.818 188 A HN 0.697 nan 8.150 nan 0.000 0.445 189 S N -2.128 113.563 115.700 -0.015 0.000 2.522 189 S HA 0.347 4.817 4.470 -0.000 0.000 0.227 189 S C 1.499 176.088 174.600 -0.019 0.000 0.986 189 S CA 1.099 59.291 58.200 -0.013 0.000 0.929 189 S CB -0.281 62.914 63.200 -0.008 0.000 0.769 189 S HN 1.950 nan 8.310 nan 0.000 0.529 190 G N 0.716 109.500 108.800 -0.026 0.000 2.159 190 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.256 190 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.256 190 G C 0.915 175.795 174.900 -0.032 0.000 0.977 190 G CA 0.137 45.217 45.100 -0.033 0.000 0.652 190 G HN 1.136 nan 8.290 nan 0.000 0.531 191 A N -1.104 121.701 122.820 -0.025 0.000 2.015 191 A HA 0.538 4.858 4.320 -0.000 0.000 0.219 191 A C 1.142 178.708 177.584 -0.030 0.000 1.163 191 A CA 1.851 53.876 52.037 -0.020 0.000 0.646 191 A CB 0.274 19.268 19.000 -0.008 0.000 0.806 191 A HN 1.158 nan 8.150 nan 0.000 0.448 192 V N 0.522 120.410 119.914 -0.043 0.000 2.638 192 V HA 0.300 4.420 4.120 -0.000 0.000 0.306 192 V C -0.813 175.226 176.094 -0.092 0.000 1.052 192 V CA -0.749 61.512 62.300 -0.064 0.000 0.885 192 V CB 1.697 33.484 31.823 -0.059 0.000 0.999 192 V HN 0.531 nan 8.190 nan 0.000 0.424 193 Q N 3.994 123.721 119.800 -0.121 0.000 2.266 193 Q HA 0.712 5.052 4.340 -0.000 0.000 0.261 193 Q C -1.213 174.650 176.000 -0.227 0.000 0.985 193 Q CA -0.649 55.060 55.803 -0.157 0.000 0.873 193 Q CB 2.986 31.630 28.738 -0.157 0.000 1.306 193 Q HN 0.618 nan 8.270 nan 0.000 0.447 194 I N 2.813 123.218 120.570 -0.276 0.000 2.418 194 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 194 I C -0.703 175.147 176.117 -0.445 0.000 1.008 194 I CA -0.514 60.528 61.300 -0.430 0.000 1.104 194 I CB 1.316 39.030 38.000 -0.477 0.000 1.264 194 I HN 0.402 nan 8.210 nan 0.000 0.438 195 I N 5.486 125.748 120.570 -0.514 0.000 2.441 195 I HA 0.786 4.956 4.170 -0.000 0.000 0.295 195 I C -0.005 175.794 176.117 -0.530 0.000 0.994 195 I CA -0.360 60.650 61.300 -0.483 0.000 1.144 195 I CB 1.943 39.646 38.000 -0.495 0.000 1.314 195 I HN 0.657 nan 8.210 nan 0.000 0.445 196 A N 7.556 130.114 122.820 -0.437 0.000 2.587 196 A HA 0.859 5.179 4.320 -0.000 0.000 0.293 196 A C -2.893 174.568 177.584 -0.205 0.000 1.087 196 A CA -1.531 50.306 52.037 -0.333 0.000 0.692 196 A CB 1.854 20.574 19.000 -0.466 0.000 1.291 196 A HN 0.372 nan 8.150 nan 0.000 0.407 197 P HA 0.372 nan 4.420 nan 0.000 0.271 197 P C 0.093 177.396 177.300 0.005 0.000 1.218 197 P CA 0.253 63.323 63.100 -0.050 0.000 0.780 197 P CB 0.806 32.503 31.700 -0.005 0.000 0.901 198 A N 2.209 125.014 122.820 -0.024 0.000 2.561 198 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 198 A C 1.517 179.113 177.584 0.019 0.000 1.055 198 A CA 0.941 52.977 52.037 -0.002 0.000 0.756 198 A CB -1.493 17.498 19.000 -0.015 0.000 0.986 198 A HN 0.904 nan 8.150 nan 0.000 0.505 199 G N 0.714 109.532 108.800 0.031 0.000 2.175 199 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 199 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 199 G C 0.729 175.635 174.900 0.011 0.000 0.982 199 G CA 0.877 45.983 45.100 0.010 0.000 0.641 199 G HN 1.433 nan 8.290 nan 0.000 0.527 200 F N 1.235 121.148 119.950 -0.062 0.000 2.069 200 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 200 F C 2.671 178.411 175.800 -0.099 0.000 1.113 200 F CA 2.669 60.628 58.000 -0.068 0.000 1.214 200 F CB -0.122 38.857 39.000 -0.036 0.000 0.978 200 F HN 0.180 nan 8.300 nan 0.000 0.474 201 M N 0.163 119.762 119.600 -0.001 0.000 2.213 201 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 201 M C 1.880 178.056 176.300 -0.206 0.000 1.062 201 M CA 1.502 56.723 55.300 -0.132 0.000 1.105 201 M CB -1.206 31.412 32.600 0.030 0.000 1.385 201 M HN 0.203 nan 8.290 nan 0.000 0.417 202 E N 0.294 120.411 120.200 -0.138 0.000 2.208 202 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 202 E C 1.959 178.475 176.600 -0.140 0.000 0.988 202 E CA 1.327 57.662 56.400 -0.108 0.000 0.828 202 E CB -0.178 29.487 29.700 -0.058 0.000 0.763 202 E HN 0.499 nan 8.360 nan 0.000 0.478 203 A N 0.370 123.065 122.820 -0.209 0.000 2.095 203 A HA 0.346 4.666 4.320 -0.000 0.000 0.212 203 A C 2.201 179.641 177.584 -0.240 0.000 1.162 203 A CA 0.771 52.696 52.037 -0.187 0.000 0.753 203 A CB -0.218 18.680 19.000 -0.171 0.000 0.840 203 A HN 0.238 nan 8.150 nan 0.000 0.468 204 A N -0.478 122.052 122.820 -0.483 0.000 1.902 204 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 204 A C 0.957 178.424 177.584 -0.196 0.000 1.181 204 A CA 1.268 52.994 52.037 -0.518 0.000 0.623 204 A CB -0.249 18.057 19.000 -1.157 0.000 0.818 204 A HN 0.423 nan 8.150 nan 0.000 0.443 210 L N 1.157 122.456 121.223 0.127 0.000 2.201 210 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 210 L C 1.812 178.781 176.870 0.164 0.000 1.105 210 L CA 1.904 56.878 54.840 0.223 0.000 0.775 210 L CB -0.330 41.824 42.059 0.157 0.000 0.913 210 L HN 0.454 nan 8.230 nan 0.000 0.440 211 A N -0.373 122.499 122.820 0.086 0.000 2.713 211 A HA 0.421 4.741 4.320 -0.000 0.000 0.296 211 A C 1.799 179.404 177.584 0.035 0.000 1.255 211 A CA 0.334 52.386 52.037 0.025 0.000 0.955 211 A CB -0.352 18.652 19.000 0.007 0.000 1.149 211 A HN 0.312 nan 8.150 nan 0.000 0.538 212 G N 1.004 109.851 108.800 0.078 0.000 2.446 212 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 212 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 212 G C 1.430 176.382 174.900 0.087 0.000 1.168 212 G CA 1.368 46.507 45.100 0.065 0.000 0.771 212 G HN 0.597 nan 8.290 nan 0.000 0.551 213 N N 1.002 119.772 118.700 0.117 0.000 2.084 213 N HA -0.017 4.723 4.740 -0.000 0.000 0.190 213 N C 2.448 178.023 175.510 0.108 0.000 1.030 213 N CA 1.807 54.946 53.050 0.149 0.000 0.849 213 N CB -0.435 38.159 38.487 0.179 0.000 1.012 213 N HN 0.252 nan 8.380 nan 0.000 0.423 214 A N 0.592 123.457 122.820 0.074 0.000 1.883 214 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 214 A C 2.295 179.932 177.584 0.088 0.000 1.186 214 A CA 1.842 53.968 52.037 0.150 0.000 0.624 214 A CB -0.693 18.283 19.000 -0.040 0.000 0.822 214 A HN 0.421 nan 8.150 nan 0.000 0.444 215 M N -1.379 118.244 119.600 0.040 0.000 2.080 215 M HA -0.167 4.312 4.480 -0.000 0.000 0.260 215 M C 2.292 178.599 176.300 0.012 0.000 1.068 215 M CA 1.474 56.790 55.300 0.026 0.000 1.109 215 M CB -0.457 32.163 32.600 0.035 0.000 1.342 215 M HN 0.310 nan 8.290 nan 0.000 0.405 216 M N -0.474 119.144 119.600 0.030 0.000 2.229 216 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 216 M C 2.175 178.469 176.300 -0.010 0.000 1.063 216 M CA 1.516 56.860 55.300 0.074 0.000 1.114 216 M CB -1.160 31.549 32.600 0.183 0.000 1.387 216 M HN 0.191 nan 8.290 nan 0.000 0.420 217 R N 0.805 121.089 120.500 -0.360 0.000 2.062 217 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 217 R C 2.074 178.072 176.300 -0.504 0.000 1.128 217 R CA 1.580 57.106 56.100 -0.957 0.000 0.960 217 R CB -0.410 28.862 30.300 -1.712 0.000 0.855 217 R HN 0.239 nan 8.270 nan 0.000 0.432 218 R N -0.011 120.317 120.500 -0.287 0.000 2.127 218 R HA -0.015 4.325 4.340 -0.000 0.000 0.238 218 R C 2.170 178.442 176.300 -0.047 0.000 1.134 218 R CA 1.347 57.333 56.100 -0.191 0.000 0.975 218 R CB -0.439 29.806 30.300 -0.091 0.000 0.865 218 R HN 0.332 nan 8.270 nan 0.000 0.447 219 A N 0.795 123.628 122.820 0.022 0.000 2.019 219 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 219 A C 2.195 179.934 177.584 0.257 0.000 1.164 219 A CA 1.816 53.960 52.037 0.179 0.000 0.644 219 A CB -0.862 18.227 19.000 0.149 0.000 0.805 219 A HN 0.510 nan 8.150 nan 0.000 0.449 220 T N -3.504 111.161 114.554 0.185 0.000 2.803 220 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 220 T C 1.712 176.621 174.700 0.348 0.000 1.052 220 T CA 1.619 63.883 62.100 0.273 0.000 1.136 220 T CB -0.551 68.497 68.868 0.301 0.000 0.864 220 T HN 0.406 nan 8.240 nan 0.000 0.467 221 Y N 1.710 122.048 120.300 0.063 0.000 2.153 221 Y HA 0.069 4.619 4.550 -0.000 0.000 0.289 221 Y C 2.976 178.893 175.900 0.029 0.000 1.127 221 Y CA 0.684 58.802 58.100 0.030 0.000 1.131 221 Y CB -1.002 37.442 38.460 -0.025 0.000 0.995 221 Y HN 0.310 nan 8.280 nan 0.000 0.505 222 Q N -1.009 118.905 119.800 0.190 0.000 2.084 222 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 222 Q C 1.422 177.391 176.000 -0.051 0.000 0.978 222 Q CA 1.909 57.732 55.803 0.033 0.000 0.844 222 Q CB -0.342 28.388 28.738 -0.013 0.000 0.898 222 Q HN 0.565 nan 8.270 nan 0.000 0.426 223 Y N -0.636 119.725 120.300 0.101 0.000 2.511 223 Y HA 0.234 4.784 4.550 -0.000 0.000 0.279 223 Y C 1.210 177.168 175.900 0.096 0.000 1.157 223 Y CA 0.481 58.645 58.100 0.108 0.000 1.300 223 Y CB 0.479 39.002 38.460 0.104 0.000 1.052 223 Y HN 0.280 nan 8.280 nan 0.000 0.529 224 G N 1.088 109.992 108.800 0.172 0.000 2.386 224 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.295 224 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.295 224 G C 1.050 176.001 174.900 0.084 0.000 0.979 224 G CA 0.737 45.886 45.100 0.082 0.000 1.193 224 G HN 0.497 nan 8.290 nan 0.000 0.508 225 T N -3.326 111.307 114.554 0.132 0.000 2.962 225 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 225 T C 1.793 176.517 174.700 0.040 0.000 1.088 225 T CA 1.781 63.954 62.100 0.122 0.000 1.127 225 T CB -0.013 68.961 68.868 0.177 0.000 0.883 225 T HN 0.580 nan 8.240 nan 0.000 0.493 226 Q N 0.249 120.011 119.800 -0.062 0.000 2.319 226 Q HA 0.385 4.725 4.340 -0.000 0.000 0.202 226 Q C 0.060 175.819 176.000 -0.402 0.000 0.896 226 Q CA -0.147 55.489 55.803 -0.279 0.000 0.942 226 Q CB 0.204 28.624 28.738 -0.530 0.000 1.083 226 Q HN 0.533 nan 8.270 nan 0.000 0.510 227 L N 2.614 123.704 121.223 -0.220 0.000 2.357 227 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 227 L C -1.936 174.890 176.870 -0.074 0.000 1.080 227 L CA -2.114 52.638 54.840 -0.147 0.000 0.803 227 L CB 0.270 42.297 42.059 -0.054 0.000 1.174 227 L HN -0.061 nan 8.230 nan 0.000 0.443 228 P HA 0.145 nan 4.420 nan 0.000 0.276 228 P C -1.338 175.922 177.300 -0.066 0.000 1.244 228 P CA -0.615 62.450 63.100 -0.059 0.000 0.801 228 P CB 0.729 32.399 31.700 -0.051 0.000 1.006 229 K N 0.888 121.221 120.400 -0.111 0.000 2.312 229 K HA 0.593 4.913 4.320 -0.000 0.000 0.287 229 K C 0.550 177.042 176.600 -0.181 0.000 1.062 229 K CA -0.077 56.143 56.287 -0.111 0.000 0.934 229 K CB 0.430 32.733 32.500 -0.328 0.000 1.027 229 K HN 0.801 nan 8.250 nan 0.000 0.478 230 G N 2.713 111.350 108.800 -0.271 0.000 2.313 230 G HA2 0.083 4.043 3.960 -0.000 0.000 0.296 230 G HA3 0.083 4.043 3.960 -0.000 0.000 0.296 230 G C -2.762 171.735 174.900 -0.671 0.000 1.356 230 G CA -0.958 43.574 45.100 -0.948 0.000 0.833 230 G HN 0.191 nan 8.290 nan 0.000 0.552 231 P HA 0.019 nan 4.420 nan 0.000 0.225 231 P C 0.921 178.154 177.300 -0.112 0.000 1.148 231 P CA 1.213 64.170 63.100 -0.238 0.000 0.779 231 P CB 0.258 31.835 31.700 -0.204 0.000 0.780 232 Q N -1.319 118.433 119.800 -0.081 0.000 2.157 232 Q HA 0.362 4.702 4.340 -0.000 0.000 0.229 232 Q C 0.774 176.860 176.000 0.143 0.000 0.827 232 Q CA -0.334 55.533 55.803 0.106 0.000 1.055 232 Q CB 1.012 29.820 28.738 0.115 0.000 1.157 232 Q HN 0.157 nan 8.270 nan 0.000 0.482 233 G N -0.402 108.442 108.800 0.074 0.000 3.214 233 G HA2 0.137 4.097 3.960 -0.000 0.000 0.188 233 G HA3 0.137 4.097 3.960 -0.000 0.000 0.188 233 G C -1.169 173.804 174.900 0.121 0.000 1.126 233 G CA -0.310 44.836 45.100 0.077 0.000 0.796 233 G HN 0.012 nan 8.290 nan 0.000 0.631 234 Q N 0.298 120.168 119.800 0.116 0.000 2.314 234 Q HA 0.345 4.685 4.340 -0.000 0.000 0.258 234 Q C 0.744 176.930 176.000 0.311 0.000 0.954 234 Q CA 0.134 56.047 55.803 0.185 0.000 0.890 234 Q CB 1.638 30.471 28.738 0.158 0.000 1.210 234 Q HN 0.708 nan 8.270 nan 0.000 0.410 235 V N -0.069 120.052 119.914 0.344 0.000 3.497 235 V HA 0.451 4.571 4.120 -0.000 0.000 0.272 235 V C -0.137 176.103 176.094 0.243 0.000 1.474 235 V CA 0.470 63.038 62.300 0.447 0.000 1.025 235 V CB 1.062 33.108 31.823 0.370 0.000 0.820 235 V HN 0.708 nan 8.190 nan 0.000 0.437 236 D N -1.390 119.110 120.400 0.167 0.000 2.807 236 D HA 0.464 5.104 4.640 -0.000 0.000 0.279 236 D C -0.769 175.582 176.300 0.085 0.000 1.247 236 D CA -0.267 53.751 54.000 0.029 0.000 0.749 236 D CB 1.712 42.499 40.800 -0.023 0.000 1.264 236 D HN 0.003 nan 8.370 nan 0.000 0.421 237 M N 2.113 121.754 119.600 0.067 0.000 2.705 237 M HA 0.663 5.143 4.480 -0.000 0.000 0.387 237 M C 0.578 176.908 176.300 0.049 0.000 1.204 237 M CA 0.814 56.157 55.300 0.072 0.000 0.905 237 M CB -0.452 32.217 32.600 0.115 0.000 1.394 237 M HN 0.780 nan 8.290 nan 0.000 0.515 238 A N 0.333 123.174 122.820 0.036 0.000 1.282 238 A HA -0.321 3.999 4.320 -0.000 0.000 0.222 238 A C 1.224 178.784 177.584 -0.039 0.000 0.460 238 A CA 2.011 54.067 52.037 0.031 0.000 1.096 238 A CB -2.345 16.754 19.000 0.164 0.000 1.470 238 A HN 0.950 nan 8.150 nan 0.000 0.723 239 I N -2.045 118.417 120.570 -0.181 0.000 3.578 239 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 239 I C 0.961 177.098 176.117 0.034 0.000 1.280 239 I CA 0.929 62.091 61.300 -0.229 0.000 1.347 239 I CB -0.203 37.348 38.000 -0.748 0.000 1.051 239 I HN 1.336 nan 8.210 nan 0.000 0.460 240 G N 0.582 109.431 108.800 0.081 0.000 2.430 240 G HA2 0.220 4.180 3.960 -0.000 0.000 0.300 240 G HA3 0.220 4.180 3.960 -0.000 0.000 0.300 240 G C -0.335 174.666 174.900 0.167 0.000 1.330 240 G CA -0.503 44.716 45.100 0.198 0.000 0.813 240 G HN -0.232 nan 8.290 nan 0.000 0.487 241 K N -0.496 120.044 120.400 0.232 0.000 2.155 241 K HA 0.289 4.609 4.320 -0.000 0.000 0.203 241 K C 1.235 177.960 176.600 0.208 0.000 1.052 241 K CA 1.356 57.683 56.287 0.067 0.000 0.948 241 K CB -0.112 32.338 32.500 -0.084 0.000 0.728 241 K HN 1.242 nan 8.250 nan 0.000 0.448 242 G N -0.219 108.832 108.800 0.418 0.000 2.317 242 G HA2 0.296 4.256 3.960 -0.000 0.000 0.293 242 G HA3 0.296 4.256 3.960 -0.000 0.000 0.293 242 G C -2.152 173.105 174.900 0.595 0.000 1.287 242 G CA -0.863 44.505 45.100 0.448 0.000 0.850 242 G HN 0.005 nan 8.290 nan 0.000 0.515 243 L N 1.176 122.700 121.223 0.501 0.000 2.307 243 L HA 0.830 5.170 4.340 -0.000 0.000 0.284 243 L C 0.929 178.032 176.870 0.388 0.000 1.023 243 L CA -0.228 54.822 54.840 0.349 0.000 0.810 243 L CB 1.060 43.198 42.059 0.132 0.000 1.231 243 L HN 1.270 nan 8.230 nan 0.000 0.423 244 A N 5.254 128.255 122.820 0.302 0.000 2.445 244 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 244 A C -0.046 177.626 177.584 0.146 0.000 1.075 244 A CA -0.075 52.149 52.037 0.312 0.000 0.777 244 A CB 0.094 19.137 19.000 0.072 0.000 1.013 244 A HN 0.747 nan 8.150 nan 0.000 0.493 245 R N 0.844 121.427 120.500 0.139 0.000 2.388 245 R HA 0.584 4.924 4.340 -0.000 0.000 0.314 245 R C 0.180 176.507 176.300 0.044 0.000 0.959 245 R CA 0.343 56.480 56.100 0.061 0.000 0.851 245 R CB 1.907 32.238 30.300 0.052 0.000 1.168 245 R HN 1.098 nan 8.270 nan 0.000 0.472 246 G N 2.706 111.516 108.800 0.018 0.000 2.488 246 G HA2 0.342 4.302 3.960 -0.000 0.000 0.301 246 G HA3 0.342 4.302 3.960 -0.000 0.000 0.301 246 G C -2.988 171.914 174.900 0.003 0.000 1.339 246 G CA -1.004 44.105 45.100 0.016 0.000 0.803 246 G HN 0.215 nan 8.290 nan 0.000 0.482 247 P HA 0.324 nan 4.420 nan 0.000 0.265 247 P C -0.556 176.752 177.300 0.014 0.000 1.187 247 P CA -0.234 62.872 63.100 0.011 0.000 0.766 247 P CB 0.768 32.480 31.700 0.020 0.000 0.820 248 L N 3.044 124.279 121.223 0.019 0.000 2.272 248 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 248 L C 0.123 177.041 176.870 0.081 0.000 1.032 248 L CA 0.119 54.984 54.840 0.041 0.000 0.810 248 L CB 0.543 42.629 42.059 0.045 0.000 1.205 248 L HN 0.461 nan 8.230 nan 0.000 0.422 249 S N 5.615 121.380 115.700 0.108 0.000 2.681 249 S HA 0.874 5.344 4.470 -0.000 0.000 0.299 249 S C -0.776 173.947 174.600 0.206 0.000 1.113 249 S CA -0.815 57.459 58.200 0.123 0.000 1.013 249 S CB 1.702 64.960 63.200 0.097 0.000 1.076 249 S HN 0.835 nan 8.310 nan 0.000 0.534 250 L N 1.280 122.583 121.223 0.134 0.000 2.751 250 L HA 0.448 4.788 4.340 -0.000 0.000 0.261 250 L C -2.240 174.667 176.870 0.062 0.000 0.927 250 L CA -0.569 54.318 54.840 0.079 0.000 0.968 250 L CB 1.108 43.090 42.059 -0.129 0.000 1.432 250 L HN 0.805 nan 8.230 nan 0.000 0.439 251 L N 4.400 125.703 121.223 0.133 0.000 2.322 251 L HA 0.723 5.063 4.340 -0.000 0.000 0.281 251 L C 0.589 177.535 176.870 0.127 0.000 1.014 251 L CA -0.607 54.294 54.840 0.102 0.000 0.815 251 L CB 1.906 44.015 42.059 0.084 0.000 1.247 251 L HN 0.744 nan 8.230 nan 0.000 0.421 252 A N 4.571 127.429 122.820 0.063 0.000 2.498 252 A HA 0.420 4.740 4.320 -0.000 0.000 0.239 252 A C -2.248 175.334 177.584 -0.004 0.000 1.068 252 A CA -0.801 51.273 52.037 0.063 0.000 0.766 252 A CB -0.601 18.415 19.000 0.026 0.000 1.003 252 A HN 0.424 nan 8.150 nan 0.000 0.497 253 P HA 0.098 nan 4.420 nan 0.000 0.267 253 P C 0.929 178.148 177.300 -0.134 0.000 1.200 253 P CA 0.427 63.414 63.100 -0.189 0.000 0.772 253 P CB 0.520 32.095 31.700 -0.209 0.000 0.855 254 T N -0.722 113.731 114.554 -0.168 0.000 3.037 254 T HA 0.158 4.508 4.350 -0.000 0.000 0.251 254 T C 0.583 175.206 174.700 -0.129 0.000 1.079 254 T CA 0.066 62.091 62.100 -0.126 0.000 1.067 254 T CB 0.244 69.038 68.868 -0.124 0.000 0.948 254 T HN 0.369 nan 8.240 nan 0.000 0.496 255 R N 0.368 120.764 120.500 -0.172 0.000 2.522 255 R HA 0.610 4.950 4.340 -0.000 0.000 0.283 255 R C -1.912 174.265 176.300 -0.205 0.000 1.074 255 R CA -0.736 55.261 56.100 -0.171 0.000 0.925 255 R CB 1.253 31.442 30.300 -0.184 0.000 1.205 255 R HN 0.210 nan 8.270 nan 0.000 0.436 256 L N 4.924 126.054 121.223 -0.156 0.000 2.325 256 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 256 L C -0.140 176.631 176.870 -0.164 0.000 1.023 256 L CA -1.268 53.482 54.840 -0.151 0.000 0.811 256 L CB 1.766 43.777 42.059 -0.080 0.000 1.249 256 L HN 0.510 nan 8.230 nan 0.000 0.431 257 I N 3.081 123.530 120.570 -0.202 0.000 2.322 257 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 257 I C 0.477 176.547 176.117 -0.078 0.000 1.060 257 I CA -0.181 61.013 61.300 -0.177 0.000 1.309 257 I CB 0.478 38.317 38.000 -0.268 0.000 1.415 257 I HN 0.558 nan 8.210 nan 0.000 0.492 258 E N 3.721 123.896 120.200 -0.041 0.000 2.280 258 E HA 0.550 4.900 4.350 -0.000 0.000 0.264 258 E C 0.861 177.466 176.600 0.009 0.000 1.064 258 E CA -0.068 56.323 56.400 -0.015 0.000 0.900 258 E CB 1.397 31.090 29.700 -0.011 0.000 1.123 258 E HN 0.764 nan 8.360 nan 0.000 0.418 259 G N 2.410 111.218 108.800 0.013 0.000 2.596 259 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.295 259 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.295 259 G C 0.700 175.626 174.900 0.043 0.000 1.240 259 G CA 0.457 45.574 45.100 0.028 0.000 0.985 259 G HN 0.561 nan 8.290 nan 0.000 0.555 260 E N 2.001 122.237 120.200 0.061 0.000 2.274 260 E HA 0.323 4.673 4.350 -0.000 0.000 0.194 260 E C 1.378 178.039 176.600 0.101 0.000 0.996 260 E CA 1.547 57.999 56.400 0.087 0.000 0.840 260 E CB 0.005 29.758 29.700 0.088 0.000 0.772 260 E HN 1.815 nan 8.360 nan 0.000 0.491 261 G N 0.090 108.950 108.800 0.100 0.000 2.356 261 G HA2 0.208 4.168 3.960 -0.000 0.000 0.288 261 G HA3 0.208 4.168 3.960 -0.000 0.000 0.288 261 G C -1.617 173.372 174.900 0.149 0.000 1.302 261 G CA -0.885 44.302 45.100 0.144 0.000 0.887 261 G HN 0.004 nan 8.290 nan 0.000 0.521 262 E N -0.729 119.605 120.200 0.223 0.000 2.392 262 E HA 0.424 4.774 4.350 -0.000 0.000 0.279 262 E C -2.000 174.771 176.600 0.285 0.000 0.964 262 E CA -0.908 55.620 56.400 0.212 0.000 0.777 262 E CB 2.451 32.249 29.700 0.163 0.000 1.249 262 E HN 0.338 nan 8.360 nan 0.000 0.449 263 D N 2.091 122.615 120.400 0.207 0.000 2.303 263 D HA 0.435 5.075 4.640 -0.000 0.000 0.236 263 D C -0.681 175.729 176.300 0.183 0.000 1.068 263 D CA -0.114 53.998 54.000 0.186 0.000 0.830 263 D CB 1.047 41.932 40.800 0.143 0.000 1.109 263 D HN 0.213 nan 8.370 nan 0.000 0.496 264 L N 1.104 122.460 121.223 0.221 0.000 2.333 264 L HA 0.572 4.912 4.340 -0.000 0.000 0.263 264 L C -0.529 176.441 176.870 0.167 0.000 1.014 264 L CA -1.275 53.678 54.840 0.188 0.000 0.820 264 L CB 2.397 44.604 42.059 0.247 0.000 1.352 264 L HN -0.025 nan 8.230 nan 0.000 0.421 265 V N 3.160 123.143 119.914 0.115 0.000 2.384 265 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 265 V C -0.217 175.924 176.094 0.079 0.000 1.020 265 V CA -0.400 61.971 62.300 0.118 0.000 0.850 265 V CB 1.641 33.511 31.823 0.078 0.000 0.987 265 V HN 0.442 nan 8.190 nan 0.000 0.436 266 L N 3.953 125.239 121.223 0.105 0.000 2.294 266 L HA 0.503 4.843 4.340 -0.000 0.000 0.283 266 L C 0.328 177.239 176.870 0.068 0.000 1.015 266 L CA -0.496 54.347 54.840 0.005 0.000 0.831 266 L CB 1.127 43.055 42.059 -0.220 0.000 1.217 266 L HN 0.745 nan 8.230 nan 0.000 0.420 267 D N 3.345 123.763 120.400 0.029 0.000 2.686 267 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 267 D C 1.151 177.480 176.300 0.047 0.000 1.160 267 D CA 1.490 55.508 54.000 0.030 0.000 0.645 267 D CB -0.569 40.248 40.800 0.028 0.000 1.039 267 D HN 1.041 nan 8.370 nan 0.000 0.423 268 G N -2.127 106.702 108.800 0.048 0.000 2.234 268 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 268 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 268 G C 0.394 175.329 174.900 0.058 0.000 0.987 268 G CA 0.275 45.400 45.100 0.042 0.000 0.625 268 G HN 0.942 nan 8.290 nan 0.000 0.532 269 V N 3.424 123.406 119.914 0.113 0.000 2.407 269 V HA 0.511 4.631 4.120 -0.000 0.000 0.278 269 V C -1.607 174.595 176.094 0.180 0.000 1.037 269 V CA -1.572 60.799 62.300 0.119 0.000 0.900 269 V CB 1.700 33.632 31.823 0.181 0.000 0.983 269 V HN 0.211 nan 8.190 nan 0.000 0.459 270 P HA 0.358 nan 4.420 nan 0.000 0.281 270 P C -1.197 176.056 177.300 -0.077 0.000 1.252 270 P CA -0.085 63.035 63.100 0.034 0.000 0.778 270 P CB 0.539 32.212 31.700 -0.045 0.000 0.895 271 F N 0.586 120.422 119.950 -0.190 0.000 2.540 271 F HA 0.356 4.883 4.527 -0.000 0.000 0.317 271 F C 0.571 176.131 175.800 -0.400 0.000 1.104 271 F CA -0.243 57.513 58.000 -0.406 0.000 0.913 271 F CB 2.125 40.760 39.000 -0.608 0.000 1.170 271 F HN 0.062 nan 8.300 nan 0.000 0.450 272 T N 4.167 118.566 114.554 -0.259 0.000 2.770 272 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 272 T C -0.988 173.538 174.700 -0.290 0.000 0.988 272 T CA -0.353 61.689 62.100 -0.097 0.000 0.957 272 T CB 0.201 69.178 68.868 0.181 0.000 0.930 272 T HN 0.150 nan 8.240 nan 0.000 0.443 273 F N 2.525 122.546 119.950 0.119 0.000 2.427 273 F HA 0.427 4.954 4.527 -0.000 0.000 0.346 273 F C 0.707 176.563 175.800 0.094 0.000 1.120 273 F CA -0.889 57.154 58.000 0.072 0.000 1.033 273 F CB 1.471 40.496 39.000 0.041 0.000 1.126 273 F HN 0.330 nan 8.300 nan 0.000 0.462 274 Q N 4.133 124.078 119.800 0.241 0.000 2.425 274 Q HA 0.252 4.592 4.340 -0.000 0.000 0.254 274 Q C -0.884 175.168 176.000 0.086 0.000 1.032 274 Q CA -0.742 55.191 55.803 0.217 0.000 0.798 274 Q CB 0.640 29.573 28.738 0.325 0.000 1.210 274 Q HN 0.561 nan 8.270 nan 0.000 0.491 275 N N 2.251 120.976 118.700 0.041 0.000 2.492 275 N HA 0.037 4.777 4.740 -0.000 0.000 0.262 275 N C -0.371 174.944 175.510 -0.325 0.000 1.202 275 N CA 0.600 53.593 53.050 -0.094 0.000 0.926 275 N CB 1.183 39.635 38.487 -0.059 0.000 1.078 275 N HN 0.577 nan 8.380 nan 0.000 0.454 276 T N -1.135 113.101 114.554 -0.529 0.000 3.466 276 T HA 0.296 4.646 4.350 -0.000 0.000 0.297 276 T C -2.751 171.463 174.700 -0.810 0.000 1.640 276 T CA -1.721 59.681 62.100 -1.163 0.000 1.631 276 T CB 0.857 69.218 68.868 -0.845 0.000 0.928 276 T HN 0.206 nan 8.240 nan 0.000 0.688 277 P HA 0.320 nan 4.420 nan 0.000 0.268 277 P C 1.012 178.201 177.300 -0.185 0.000 1.204 277 P CA 0.798 63.743 63.100 -0.258 0.000 0.768 277 P CB 0.555 32.187 31.700 -0.113 0.000 0.842 278 G N 1.804 110.504 108.800 -0.167 0.000 2.160 278 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 278 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 278 G C 0.509 175.325 174.900 -0.139 0.000 1.022 278 G CA 0.562 45.603 45.100 -0.098 0.000 0.741 278 G HN 0.777 nan 8.290 nan 0.000 0.508 279 T N -3.761 110.581 114.554 -0.353 0.000 2.757 279 T HA 0.391 4.740 4.350 -0.000 0.000 0.179 279 T C 1.511 175.670 174.700 -0.901 0.000 0.705 279 T CA 1.010 62.713 62.100 -0.662 0.000 1.952 279 T CB 0.059 68.342 68.868 -0.974 0.000 2.670 279 T HN 0.025 nan 8.240 nan 0.000 0.404 280 E N 1.422 120.808 120.200 -1.356 0.000 2.204 280 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 280 E C 0.436 176.848 176.600 -0.313 0.000 0.989 280 E CA 0.510 56.355 56.400 -0.924 0.000 0.824 280 E CB 0.058 29.166 29.700 -0.986 0.000 0.756 280 E HN 0.479 nan 8.360 nan 0.000 0.477 281 S N -1.229 114.244 115.700 -0.379 0.000 2.541 281 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 281 S C -2.446 172.030 174.600 -0.206 0.000 1.133 281 S CA -1.329 56.723 58.200 -0.247 0.000 0.876 281 S CB 1.802 64.747 63.200 -0.424 0.000 1.105 281 S HN -0.243 nan 8.310 nan 0.000 0.470 282 P HA 0.113 nan 4.420 nan 0.000 0.221 282 P C -0.309 176.922 177.300 -0.115 0.000 1.145 282 P CA 0.931 63.973 63.100 -0.096 0.000 0.795 282 P CB 0.144 31.811 31.700 -0.054 0.000 0.775 283 A N -0.362 122.385 122.820 -0.122 0.000 2.410 283 A HA 0.592 4.912 4.320 -0.000 0.000 0.289 283 A C -0.684 176.861 177.584 -0.065 0.000 1.200 283 A CA -0.259 51.733 52.037 -0.076 0.000 0.751 283 A CB 0.705 19.695 19.000 -0.015 0.000 1.161 283 A HN -0.042 nan 8.150 nan 0.000 0.459 284 E N 2.213 122.337 120.200 -0.127 0.000 2.372 284 E HA 0.730 5.080 4.350 -0.000 0.000 0.279 284 E C -1.095 175.409 176.600 -0.161 0.000 0.946 284 E CA -0.627 55.681 56.400 -0.154 0.000 0.769 284 E CB 1.660 31.155 29.700 -0.342 0.000 1.230 284 E HN 0.841 nan 8.360 nan 0.000 0.442 285 M N 1.902 121.443 119.600 -0.099 0.000 2.322 285 M HA 0.593 5.073 4.480 -0.000 0.000 0.286 285 M C -1.482 174.806 176.300 -0.020 0.000 1.111 285 M CA -1.026 54.247 55.300 -0.045 0.000 0.941 285 M CB 1.755 34.386 32.600 0.052 0.000 1.671 285 M HN 0.176 nan 8.290 nan 0.000 0.470 286 N N 2.688 121.370 118.700 -0.031 0.000 2.467 286 N HA 0.640 5.380 4.740 -0.000 0.000 0.262 286 N C -1.075 174.414 175.510 -0.035 0.000 1.234 286 N CA -0.030 52.989 53.050 -0.052 0.000 0.952 286 N CB 1.348 39.817 38.487 -0.030 0.000 1.158 286 N HN 0.720 nan 8.380 nan 0.000 0.463 287 I N 0.428 120.916 120.570 -0.136 0.000 2.447 287 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 287 I C -0.725 175.221 176.117 -0.285 0.000 1.023 287 I CA -0.698 60.473 61.300 -0.215 0.000 1.083 287 I CB 2.154 40.074 38.000 -0.134 0.000 1.245 287 I HN 0.314 nan 8.210 nan 0.000 0.434 288 W N 8.346 129.250 121.300 -0.659 0.000 2.429 288 W HA 0.590 5.250 4.660 -0.000 0.000 0.314 288 W C -1.962 174.254 176.519 -0.505 0.000 1.062 288 W CA -0.843 56.090 57.345 -0.686 0.000 1.211 288 W CB 1.465 30.228 29.460 -1.162 0.000 1.305 288 W HN 0.341 nan 8.180 nan 0.000 0.476 289 L N 9.722 130.338 121.223 -1.012 0.000 2.335 289 L HA 0.246 4.586 4.340 -0.000 0.000 0.268 289 L C -1.220 174.879 176.870 -1.285 0.000 1.037 289 L CA -1.706 52.532 54.840 -1.003 0.000 0.895 289 L CB 1.539 43.162 42.059 -0.727 0.000 1.266 289 L HN 0.273 nan 8.230 nan 0.000 0.439 290 P HA -0.158 nan 4.420 nan 0.000 0.220 290 P C 1.404 178.438 177.300 -0.444 0.000 1.148 290 P CA 1.020 63.621 63.100 -0.831 0.000 0.803 290 P CB 0.261 31.817 31.700 -0.240 0.000 0.782 291 R N 0.239 120.514 120.500 -0.375 0.000 2.075 291 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 291 R C 1.956 178.117 176.300 -0.232 0.000 1.126 291 R CA 1.467 57.429 56.100 -0.229 0.000 0.963 291 R CB -0.203 29.985 30.300 -0.186 0.000 0.858 291 R HN 0.098 nan 8.270 nan 0.000 0.435 292 Q N 0.188 119.797 119.800 -0.319 0.000 2.360 292 Q HA 0.098 4.438 4.340 -0.000 0.000 0.202 292 Q C -0.372 175.459 176.000 -0.281 0.000 0.915 292 Q CA 0.110 55.755 55.803 -0.264 0.000 0.943 292 Q CB 0.774 29.346 28.738 -0.275 0.000 1.064 292 Q HN 0.020 nan 8.270 nan 0.000 0.511 293 K N -0.678 119.454 120.400 -0.448 0.000 3.077 293 K HA -0.194 4.126 4.320 -0.000 0.000 0.264 293 K C -0.789 175.623 176.600 -0.313 0.000 1.008 293 K CA 0.992 57.016 56.287 -0.438 0.000 0.740 293 K CB -2.282 30.226 32.500 0.014 0.000 1.273 293 K HN 0.314 nan 8.250 nan 0.000 0.477 294 A N 0.671 123.185 122.820 -0.509 0.000 2.304 294 A HA 0.662 4.982 4.320 -0.000 0.000 0.323 294 A C -0.435 177.144 177.584 -0.009 0.000 1.195 294 A CA -0.761 51.175 52.037 -0.170 0.000 0.826 294 A CB 1.026 19.913 19.000 -0.189 0.000 1.184 294 A HN 0.249 nan 8.150 nan 0.000 0.496 295 L N 3.452 124.826 121.223 0.251 0.000 2.318 295 L HA 0.481 4.821 4.340 -0.000 0.000 0.277 295 L C -0.978 175.880 176.870 -0.019 0.000 1.008 295 L CA -0.314 54.655 54.840 0.214 0.000 0.846 295 L CB 1.027 43.254 42.059 0.281 0.000 1.220 295 L HN 0.679 nan 8.230 nan 0.000 0.423 296 L N 5.981 127.023 121.223 -0.302 0.000 2.282 296 L HA 0.287 4.627 4.340 -0.000 0.000 0.287 296 L C 0.370 177.011 176.870 -0.382 0.000 1.075 296 L CA -0.308 54.077 54.840 -0.758 0.000 0.839 296 L CB 0.753 42.266 42.059 -0.910 0.000 1.219 296 L HN 0.694 nan 8.230 nan 0.000 0.434 297 M N 4.495 123.915 119.600 -0.301 0.000 2.888 297 M HA 0.110 4.590 4.480 -0.000 0.000 0.216 297 M C 1.262 177.457 176.300 -0.176 0.000 1.291 297 M CA 0.343 55.543 55.300 -0.167 0.000 1.105 297 M CB -1.693 30.851 32.600 -0.094 0.000 1.581 297 M HN 0.834 nan 8.290 nan 0.000 0.439 298 A N 1.517 124.212 122.820 -0.209 0.000 5.328 298 A HA -0.306 4.014 4.320 -0.000 0.000 0.346 298 A C 1.190 178.658 177.584 -0.193 0.000 1.675 298 A CA 2.167 54.083 52.037 -0.201 0.000 0.717 298 A CB -0.914 17.943 19.000 -0.238 0.000 1.467 298 A HN 0.591 nan 8.150 nan 0.000 0.409 299 E N -0.188 119.816 120.200 -0.327 0.000 2.651 299 E HA 0.193 4.543 4.350 -0.000 0.000 0.208 299 E C 0.941 177.426 176.600 -0.191 0.000 0.997 299 E CA 0.192 56.472 56.400 -0.200 0.000 1.020 299 E CB -0.101 29.445 29.700 -0.258 0.000 1.052 299 E HN 0.533 nan 8.360 nan 0.000 0.465 300 N N -0.369 118.218 118.700 -0.189 0.000 2.250 300 N HA -0.034 4.706 4.740 -0.000 0.000 0.181 300 N C -0.111 175.561 175.510 0.270 0.000 1.017 300 N CA 0.768 53.773 53.050 -0.075 0.000 0.866 300 N CB 0.712 39.107 38.487 -0.154 0.000 0.985 300 N HN -0.011 nan 8.380 nan 0.000 0.429 301 V N 1.979 121.979 119.914 0.144 0.000 2.482 301 V HA 0.351 4.471 4.120 -0.000 0.000 0.295 301 V C 0.031 176.171 176.094 0.078 0.000 1.026 301 V CA -0.656 61.737 62.300 0.155 0.000 0.856 301 V CB 1.844 33.707 31.823 0.067 0.000 1.001 301 V HN -0.032 nan 8.190 nan 0.000 0.424 302 V N 1.907 121.897 119.914 0.127 0.000 3.105 302 V HA 0.899 5.019 4.120 -0.000 0.000 0.311 302 V C 0.844 176.925 176.094 -0.023 0.000 1.282 302 V CA -0.294 62.030 62.300 0.039 0.000 1.065 302 V CB 1.764 33.672 31.823 0.142 0.000 1.136 302 V HN 0.742 nan 8.190 nan 0.000 0.469 303 G N 0.049 108.747 108.800 -0.170 0.000 3.574 303 G HA2 0.499 4.459 3.960 -0.000 0.000 0.262 303 G HA3 0.499 4.459 3.960 -0.000 0.000 0.262 303 G C 0.166 175.133 174.900 0.112 0.000 1.231 303 G CA 0.721 45.698 45.100 -0.205 0.000 1.608 303 G HN 1.345 nan 8.290 nan 0.000 0.628 304 T N -0.848 113.819 114.554 0.188 0.000 2.886 304 T HA 0.236 4.586 4.350 -0.000 0.000 0.341 304 T C -1.441 173.352 174.700 0.154 0.000 1.839 304 T CA -0.745 61.489 62.100 0.224 0.000 1.052 304 T CB 0.530 69.575 68.868 0.294 0.000 1.715 304 T HN 0.370 nan 8.240 nan 0.000 0.504 305 L N 4.803 126.043 121.223 0.028 0.000 2.455 305 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 305 L C 0.476 177.420 176.870 0.123 0.000 1.174 305 L CA 0.333 55.144 54.840 -0.048 0.000 0.869 305 L CB 0.150 42.080 42.059 -0.215 0.000 1.130 305 L HN 0.787 nan 8.230 nan 0.000 0.474 306 H N 3.720 122.903 119.070 0.189 0.000 2.497 306 H HA 0.363 4.919 4.556 -0.000 0.000 0.348 306 H C -0.516 174.936 175.328 0.207 0.000 1.335 306 H CA -0.728 55.522 56.048 0.337 0.000 1.395 306 H CB 1.045 31.115 29.762 0.513 0.000 1.658 306 H HN 0.648 nan 8.280 nan 0.000 0.613 307 N N 1.703 120.720 118.700 0.528 0.000 2.488 307 N HA 0.038 4.778 4.740 -0.000 0.000 0.274 307 N C 1.096 176.891 175.510 0.476 0.000 1.111 307 N CA -0.061 53.221 53.050 0.386 0.000 0.974 307 N CB 1.195 39.865 38.487 0.306 0.000 1.089 307 N HN 0.486 nan 8.380 nan 0.000 0.465 308 L N 1.322 122.757 121.223 0.353 0.000 2.375 308 L HA 0.095 4.435 4.340 -0.000 0.000 0.215 308 L C -0.159 176.986 176.870 0.458 0.000 1.108 308 L CA 0.547 55.621 54.840 0.391 0.000 0.830 308 L CB 0.040 42.276 42.059 0.295 0.000 0.959 308 L HN 0.504 nan 8.230 nan 0.000 0.457 309 Y N 0.186 120.673 120.300 0.311 0.000 2.361 309 Y HA 0.317 4.867 4.550 -0.000 0.000 0.328 309 Y C -0.603 175.450 175.900 0.254 0.000 1.044 309 Y CA -1.593 56.667 58.100 0.267 0.000 1.085 309 Y CB 1.171 39.789 38.460 0.262 0.000 1.194 309 Y HN -0.221 nan 8.280 nan 0.000 0.438 310 T N 7.487 122.003 114.554 -0.063 0.000 2.761 310 T HA 0.237 4.587 4.350 -0.000 0.000 0.296 310 T C 1.630 175.918 174.700 -0.688 0.000 0.934 310 T CA -0.380 61.578 62.100 -0.238 0.000 1.091 310 T CB 0.712 69.559 68.868 -0.035 0.000 0.896 310 T HN 0.778 nan 8.240 nan 0.000 0.515 311 L N 2.602 123.398 121.223 -0.711 0.000 2.187 311 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 311 L C 2.847 179.484 176.870 -0.389 0.000 1.100 311 L CA 1.224 55.626 54.840 -0.730 0.000 0.765 311 L CB -0.537 41.193 42.059 -0.548 0.000 0.904 311 L HN 0.677 nan 8.230 nan 0.000 0.437 312 R N 1.216 121.585 120.500 -0.217 0.000 2.193 312 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 312 R C 0.560 176.825 176.300 -0.058 0.000 1.110 312 R CA 0.872 56.925 56.100 -0.078 0.000 0.988 312 R CB -0.340 29.977 30.300 0.029 0.000 0.871 312 R HN 0.226 nan 8.270 nan 0.000 0.458 313 G N -0.137 108.612 108.800 -0.085 0.000 3.363 313 G HA2 0.342 4.302 3.960 -0.000 0.000 0.685 313 G HA3 0.342 4.302 3.960 -0.000 0.000 0.685 313 G C -0.656 174.315 174.900 0.118 0.000 1.199 313 G CA -0.482 44.662 45.100 0.072 0.000 0.946 313 G HN 0.665 nan 8.290 nan 0.000 0.558 314 A N 1.764 124.727 122.820 0.238 0.000 2.540 314 A HA 0.881 5.201 4.320 -0.000 0.000 0.291 314 A C -0.314 177.419 177.584 0.249 0.000 1.083 314 A CA -0.424 51.734 52.037 0.202 0.000 0.650 314 A CB 0.632 19.736 19.000 0.174 0.000 1.292 314 A HN 1.174 nan 8.150 nan 0.000 0.435 315 E N -0.111 120.195 120.200 0.176 0.000 2.408 315 E HA 0.394 4.743 4.350 -0.000 0.000 0.259 315 E C -0.173 176.541 176.600 0.190 0.000 1.110 315 E CA -0.003 56.482 56.400 0.143 0.000 0.929 315 E CB 0.570 30.332 29.700 0.102 0.000 0.971 315 E HN 0.445 nan 8.360 nan 0.000 0.438 316 V N 2.961 122.955 119.914 0.133 0.000 2.614 316 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 316 V C 0.685 176.886 176.094 0.178 0.000 1.049 316 V CA -0.109 62.289 62.300 0.163 0.000 1.038 316 V CB 0.795 32.663 31.823 0.075 0.000 0.980 316 V HN 0.526 nan 8.190 nan 0.000 0.481 317 R N 2.035 122.687 120.500 0.255 0.000 2.543 317 R HA 0.332 4.672 4.340 -0.000 0.000 0.268 317 R C -0.481 175.981 176.300 0.270 0.000 1.067 317 R CA -0.742 55.520 56.100 0.270 0.000 1.142 317 R CB 0.615 31.153 30.300 0.397 0.000 1.110 317 R HN 0.711 nan 8.270 nan 0.000 0.549 318 D N 0.783 121.333 120.400 0.250 0.000 2.456 318 D HA 0.187 4.827 4.640 -0.000 0.000 0.219 318 D C 0.591 177.080 176.300 0.315 0.000 1.126 318 D CA -0.194 53.944 54.000 0.229 0.000 0.890 318 D CB 1.184 42.070 40.800 0.142 0.000 1.025 318 D HN 0.557 nan 8.370 nan 0.000 0.511 319 A N 3.824 126.845 122.820 0.334 0.000 1.972 319 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 319 A C 1.878 179.573 177.584 0.185 0.000 1.169 319 A CA 0.833 53.057 52.037 0.311 0.000 0.635 319 A CB -0.420 18.784 19.000 0.341 0.000 0.810 319 A HN 0.591 nan 8.150 nan 0.000 0.446 320 L N -0.013 121.201 121.223 -0.015 0.000 1.994 320 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 320 L C 2.458 179.316 176.870 -0.019 0.000 1.071 320 L CA 2.395 57.105 54.840 -0.217 0.000 0.745 320 L CB -1.133 40.661 42.059 -0.442 0.000 0.892 320 L HN 0.296 nan 8.230 nan 0.000 0.431 321 G N -1.446 107.386 108.800 0.054 0.000 2.422 321 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 321 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 321 G C 1.434 176.461 174.900 0.212 0.000 1.146 321 G CA 0.598 45.745 45.100 0.079 0.000 0.769 321 G HN 0.534 nan 8.290 nan 0.000 0.547 322 W N 1.587 122.899 121.300 0.019 0.000 2.335 322 W HA -0.131 4.529 4.660 -0.000 0.000 0.311 322 W C 2.746 179.251 176.519 -0.024 0.000 1.213 322 W CA 1.677 58.986 57.345 -0.061 0.000 1.274 322 W CB -0.850 28.443 29.460 -0.279 0.000 1.148 322 W HN 0.306 nan 8.180 nan 0.000 0.498 323 S N 0.331 116.223 115.700 0.320 0.000 2.348 323 S HA -0.207 4.263 4.470 -0.000 0.000 0.221 323 S C 1.975 176.663 174.600 0.147 0.000 1.033 323 S CA 1.979 60.320 58.200 0.234 0.000 1.010 323 S CB -0.333 62.971 63.200 0.172 0.000 0.891 323 S HN 0.265 nan 8.310 nan 0.000 0.442 324 K N -0.646 119.784 120.400 0.050 0.000 2.063 324 K HA -0.113 4.206 4.320 -0.000 0.000 0.208 324 K C 1.948 178.505 176.600 -0.071 0.000 1.048 324 K CA 1.761 58.011 56.287 -0.062 0.000 0.928 324 K CB -0.378 32.005 32.500 -0.195 0.000 0.713 324 K HN 0.450 nan 8.250 nan 0.000 0.442 325 Y N 0.921 121.247 120.300 0.043 0.000 2.293 325 Y HA -0.101 4.449 4.550 -0.000 0.000 0.291 325 Y C 1.975 177.900 175.900 0.042 0.000 1.137 325 Y CA 0.753 58.862 58.100 0.016 0.000 1.202 325 Y CB -0.195 38.239 38.460 -0.043 0.000 0.990 325 Y HN 0.010 nan 8.280 nan 0.000 0.537 326 I N -0.464 120.244 120.570 0.230 0.000 2.252 326 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 326 I C 2.240 178.434 176.117 0.130 0.000 1.102 326 I CA 1.332 62.743 61.300 0.185 0.000 1.385 326 I CB -0.324 37.814 38.000 0.230 0.000 1.064 326 I HN 0.166 nan 8.210 nan 0.000 0.414 327 N N 0.905 119.678 118.700 0.122 0.000 2.166 327 N HA -0.209 4.531 4.740 -0.000 0.000 0.186 327 N C 1.856 177.449 175.510 0.137 0.000 1.019 327 N CA 1.515 54.642 53.050 0.128 0.000 0.856 327 N CB -0.044 38.514 38.487 0.118 0.000 0.993 327 N HN 0.364 nan 8.380 nan 0.000 0.426 328 Q N -0.467 119.380 119.800 0.078 0.000 2.084 328 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 328 Q C 2.070 178.051 176.000 -0.032 0.000 0.978 328 Q CA 1.616 57.437 55.803 0.030 0.000 0.844 328 Q CB -0.214 28.549 28.738 0.041 0.000 0.898 328 Q HN 0.454 nan 8.270 nan 0.000 0.426 329 A N 0.994 123.840 122.820 0.044 0.000 1.902 329 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 329 A C 2.076 179.631 177.584 -0.050 0.000 1.181 329 A CA 1.230 53.310 52.037 0.071 0.000 0.623 329 A CB -0.665 18.457 19.000 0.202 0.000 0.818 329 A HN 0.360 nan 8.150 nan 0.000 0.443 330 L N -0.587 120.603 121.223 -0.055 0.000 2.012 330 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 330 L C 2.331 179.016 176.870 -0.308 0.000 1.073 330 L CA 2.395 57.134 54.840 -0.169 0.000 0.748 330 L CB -0.818 41.122 42.059 -0.199 0.000 0.891 330 L HN 0.535 nan 8.230 nan 0.000 0.431 331 H N -0.699 118.275 119.070 -0.159 0.000 2.428 331 H HA 0.012 4.568 4.556 -0.000 0.000 0.296 331 H C 2.312 177.456 175.328 -0.306 0.000 1.062 331 H CA 1.340 57.276 56.048 -0.187 0.000 1.350 331 H CB 0.192 29.868 29.762 -0.143 0.000 1.403 331 H HN 0.413 nan 8.280 nan 0.000 0.533 332 R N -0.569 119.675 120.500 -0.428 0.000 2.112 332 R HA 0.004 4.344 4.340 -0.000 0.000 0.216 332 R C 1.163 176.889 176.300 -0.957 0.000 1.080 332 R CA 0.962 56.585 56.100 -0.794 0.000 0.996 332 R CB 0.333 29.897 30.300 -1.226 0.000 0.902 332 R HN 0.184 nan 8.270 nan 0.000 0.449 333 F N -2.360 117.314 119.950 -0.460 0.000 2.581 333 F HA 0.322 4.849 4.527 -0.000 0.000 0.278 333 F C 2.192 177.659 175.800 -0.555 0.000 1.000 333 F CA 0.085 57.581 58.000 -0.840 0.000 1.230 333 F CB -1.043 37.396 39.000 -0.935 0.000 1.008 333 F HN -0.047 nan 8.300 nan 0.000 0.695 334 G N 2.035 110.761 108.800 -0.123 0.000 2.505 334 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 334 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 334 G C 1.681 176.531 174.900 -0.084 0.000 1.145 334 G CA 1.451 46.507 45.100 -0.072 0.000 0.761 334 G HN 0.447 nan 8.290 nan 0.000 0.571 335 R N 0.441 120.857 120.500 -0.139 0.000 2.193 335 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 335 R C 2.110 178.386 176.300 -0.039 0.000 1.110 335 R CA 1.754 57.795 56.100 -0.098 0.000 0.988 335 R CB -0.391 29.839 30.300 -0.118 0.000 0.871 335 R HN 0.612 nan 8.270 nan 0.000 0.458 336 Q N -0.001 119.775 119.800 -0.040 0.000 2.189 336 Q HA 0.413 4.753 4.340 -0.000 0.000 0.223 336 Q C 0.021 176.172 176.000 0.251 0.000 0.828 336 Q CA -0.057 55.796 55.803 0.083 0.000 0.967 336 Q CB 0.805 29.602 28.738 0.098 0.000 1.139 336 Q HN 0.239 nan 8.270 nan 0.000 0.497 337 A N 1.422 124.373 122.820 0.218 0.000 2.462 337 A HA 0.127 4.447 4.320 -0.000 0.000 0.243 337 A C 0.617 178.329 177.584 0.214 0.000 1.076 337 A CA -0.186 52.071 52.037 0.367 0.000 0.773 337 A CB 0.402 19.577 19.000 0.293 0.000 1.010 337 A HN 0.232 nan 8.150 nan 0.000 0.493 338 E N 0.494 120.804 120.200 0.183 0.000 2.413 338 E HA 0.185 4.535 4.350 -0.000 0.000 0.203 338 E C -0.266 176.393 176.600 0.098 0.000 0.957 338 E CA 0.542 57.018 56.400 0.127 0.000 0.950 338 E CB 1.024 30.788 29.700 0.106 0.000 0.957 338 E HN 0.432 nan 8.360 nan 0.000 0.497 339 V N 1.023 120.950 119.914 0.021 0.000 2.969 339 V HA 0.504 4.624 4.120 -0.000 0.000 0.304 339 V C -1.718 174.330 176.094 -0.076 0.000 1.192 339 V CA -0.712 61.480 62.300 -0.181 0.000 0.962 339 V CB 2.293 33.856 31.823 -0.433 0.000 1.045 339 V HN 0.057 nan 8.190 nan 0.000 0.428 340 M N 7.111 126.635 119.600 -0.127 0.000 2.465 340 M HA 0.828 5.308 4.480 -0.000 0.000 0.316 340 M C -1.709 174.608 176.300 0.027 0.000 1.121 340 M CA -0.474 54.835 55.300 0.016 0.000 0.934 340 M CB 1.802 34.383 32.600 -0.033 0.000 1.692 340 M HN 0.810 nan 8.290 nan 0.000 0.444 341 F N 2.088 121.898 119.950 -0.232 0.000 2.745 341 F HA 1.007 5.534 4.527 -0.000 0.000 0.316 341 F C -1.674 174.037 175.800 -0.148 0.000 1.155 341 F CA -0.939 56.922 58.000 -0.233 0.000 0.937 341 F CB 0.737 39.584 39.000 -0.255 0.000 1.361 341 F HN 0.707 nan 8.300 nan 0.000 0.472 342 A N 0.115 122.821 122.820 -0.191 0.000 2.588 342 A HA 0.632 4.952 4.320 -0.000 0.000 0.290 342 A C -0.029 177.481 177.584 -0.124 0.000 1.136 342 A CA -0.165 51.741 52.037 -0.219 0.000 0.681 342 A CB 0.896 19.827 19.000 -0.115 0.000 1.282 342 A HN 2.005 nan 8.150 nan 0.000 0.421 343 V N -1.716 118.156 119.914 -0.071 0.000 3.573 343 V HA 0.290 4.410 4.120 -0.000 0.000 0.270 343 V C 0.377 176.364 176.094 -0.178 0.000 1.221 343 V CA 0.994 63.274 62.300 -0.033 0.000 1.163 343 V CB -1.406 30.477 31.823 0.101 0.000 0.847 343 V HN 0.638 nan 8.190 nan 0.000 0.468 344 H N 0.167 119.281 119.070 0.072 0.000 2.961 344 H HA 0.481 5.037 4.556 -0.000 0.000 0.371 344 H C -0.029 175.260 175.328 -0.065 0.000 1.190 344 H CA -0.103 55.971 56.048 0.043 0.000 1.138 344 H CB 1.851 31.648 29.762 0.059 0.000 1.816 344 H HN 0.400 nan 8.280 nan 0.000 0.551 345 N N -0.581 118.156 118.700 0.061 0.000 5.393 345 N HA -0.284 4.456 4.740 -0.000 0.000 0.330 345 N C -0.965 174.483 175.510 -0.104 0.000 0.915 345 N CA 1.393 54.345 53.050 -0.164 0.000 1.070 345 N CB -0.716 37.337 38.487 -0.724 0.000 0.848 345 N HN 0.634 nan 8.380 nan 0.000 0.486 346 W N -1.264 120.023 121.300 -0.021 0.000 2.655 346 W HA 0.841 5.500 4.660 -0.000 0.000 0.358 346 W C -2.853 173.611 176.519 -0.091 0.000 1.100 346 W CA -1.817 55.480 57.345 -0.081 0.000 1.195 346 W CB -0.377 29.027 29.460 -0.093 0.000 1.403 346 W HN 0.312 nan 8.180 nan 0.000 0.589 347 P HA 0.356 nan 4.420 nan 0.000 0.277 347 P C -0.829 176.286 177.300 -0.308 0.000 1.271 347 P CA -0.615 62.264 63.100 -0.368 0.000 0.795 347 P CB 0.673 31.799 31.700 -0.956 0.000 1.101 348 R N 0.329 120.591 120.500 -0.397 0.000 2.561 348 R HA 0.434 4.774 4.340 -0.000 0.000 0.297 348 R C -0.906 175.287 176.300 -0.178 0.000 0.969 348 R CA -0.371 55.680 56.100 -0.082 0.000 0.879 348 R CB 1.830 32.115 30.300 -0.025 0.000 1.178 348 R HN 0.593 nan 8.270 nan 0.000 0.445 349 W N 0.833 122.178 121.300 0.074 0.000 2.627 349 W HA 0.546 5.206 4.660 -0.000 0.000 0.339 349 W C 0.276 176.827 176.519 0.055 0.000 1.058 349 W CA -0.444 56.933 57.345 0.053 0.000 1.223 349 W CB 2.379 31.862 29.460 0.037 0.000 1.389 349 W HN 0.849 nan 8.180 nan 0.000 0.541 350 G N 1.873 110.832 108.800 0.264 0.000 3.233 350 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.686 350 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.686 350 G C 0.305 175.277 174.900 0.121 0.000 1.153 350 G CA -0.253 44.951 45.100 0.174 0.000 0.853 350 G HN 0.647 nan 8.290 nan 0.000 0.582 351 N N 1.049 119.809 118.700 0.100 0.000 2.069 351 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 351 N C 2.625 178.169 175.510 0.057 0.000 1.031 351 N CA 2.392 55.488 53.050 0.076 0.000 0.852 351 N CB -0.091 38.438 38.487 0.070 0.000 1.018 351 N HN 1.043 nan 8.380 nan 0.000 0.423 352 A N 0.874 123.729 122.820 0.059 0.000 1.902 352 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 352 A C 2.104 179.722 177.584 0.056 0.000 1.181 352 A CA 1.806 53.873 52.037 0.050 0.000 0.623 352 A CB -0.716 18.316 19.000 0.053 0.000 0.818 352 A HN 0.499 nan 8.150 nan 0.000 0.443 353 E N 0.361 120.606 120.200 0.076 0.000 2.051 353 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 353 E C 1.675 178.300 176.600 0.042 0.000 0.991 353 E CA 1.674 58.125 56.400 0.084 0.000 0.799 353 E CB -0.427 29.347 29.700 0.122 0.000 0.748 353 E HN 0.637 nan 8.360 nan 0.000 0.449 354 I N -0.419 120.170 120.570 0.031 0.000 2.179 354 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 354 I C 2.312 178.419 176.117 -0.018 0.000 1.088 354 I CA 0.870 62.167 61.300 -0.005 0.000 1.357 354 I CB -0.323 37.688 38.000 0.018 0.000 1.051 354 I HN 0.036 nan 8.210 nan 0.000 0.409 355 V N 0.820 120.731 119.914 -0.006 0.000 2.282 355 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 355 V C 2.519 178.604 176.094 -0.015 0.000 1.057 355 V CA 2.399 64.683 62.300 -0.026 0.000 1.032 355 V CB -0.688 31.120 31.823 -0.025 0.000 0.645 355 V HN 0.517 nan 8.190 nan 0.000 0.447 356 E N -0.089 120.118 120.200 0.012 0.000 2.051 356 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 356 E C 2.196 178.820 176.600 0.039 0.000 0.991 356 E CA 1.764 58.188 56.400 0.039 0.000 0.799 356 E CB -0.065 29.679 29.700 0.074 0.000 0.748 356 E HN 0.406 nan 8.360 nan 0.000 0.449 357 V N 1.422 121.314 119.914 -0.036 0.000 2.287 357 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 357 V C 2.499 178.523 176.094 -0.116 0.000 1.053 357 V CA 1.711 63.871 62.300 -0.233 0.000 1.027 357 V CB -0.516 31.019 31.823 -0.479 0.000 0.646 357 V HN 0.346 nan 8.190 nan 0.000 0.447 358 L N -0.483 120.703 121.223 -0.062 0.000 2.046 358 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 358 L C 2.616 179.502 176.870 0.027 0.000 1.077 358 L CA 1.746 56.580 54.840 -0.011 0.000 0.747 358 L CB -0.644 41.403 42.059 -0.021 0.000 0.896 358 L HN 0.383 nan 8.230 nan 0.000 0.432 359 E N 0.144 120.353 120.200 0.016 0.000 2.058 359 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 359 E C 2.225 178.864 176.600 0.064 0.000 0.997 359 E CA 1.264 57.684 56.400 0.035 0.000 0.801 359 E CB -0.025 29.688 29.700 0.022 0.000 0.746 359 E HN 0.405 nan 8.360 nan 0.000 0.450 360 K N 0.470 120.920 120.400 0.084 0.000 2.057 360 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 360 K C 2.299 178.964 176.600 0.110 0.000 1.049 360 K CA 0.902 57.255 56.287 0.110 0.000 0.931 360 K CB -0.027 32.596 32.500 0.204 0.000 0.714 360 K HN 0.122 nan 8.250 nan 0.000 0.440 361 Q N 0.446 120.328 119.800 0.137 0.000 2.119 361 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 361 Q C 2.217 178.347 176.000 0.217 0.000 0.972 361 Q CA 1.069 56.968 55.803 0.161 0.000 0.847 361 Q CB -0.154 28.698 28.738 0.191 0.000 0.903 361 Q HN 0.308 nan 8.270 nan 0.000 0.433 362 R N 0.951 121.564 120.500 0.187 0.000 2.083 362 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 362 R C 1.091 177.486 176.300 0.158 0.000 1.137 362 R CA 1.820 58.036 56.100 0.193 0.000 0.951 362 R CB 0.002 30.383 30.300 0.136 0.000 0.851 362 R HN 0.149 nan 8.270 nan 0.000 0.434 363 D N 0.659 121.123 120.400 0.106 0.000 2.277 363 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 363 D C 1.839 178.179 176.300 0.067 0.000 0.962 363 D CA 0.429 54.483 54.000 0.090 0.000 0.865 363 D CB -0.047 40.791 40.800 0.063 0.000 0.939 363 D HN 0.204 nan 8.370 nan 0.000 0.510 364 L N 0.093 121.307 121.223 -0.014 0.000 1.976 364 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 364 L C 2.039 178.796 176.870 -0.188 0.000 1.071 364 L CA 1.695 56.435 54.840 -0.166 0.000 0.746 364 L CB -0.863 40.995 42.059 -0.335 0.000 0.890 364 L HN -0.063 nan 8.230 nan 0.000 0.432 365 Y N 0.030 120.300 120.300 -0.050 0.000 2.224 365 Y HA -0.072 4.478 4.550 -0.000 0.000 0.289 365 Y C 2.500 178.429 175.900 0.049 0.000 1.146 365 Y CA 1.428 59.480 58.100 -0.081 0.000 1.182 365 Y CB -1.261 37.060 38.460 -0.232 0.000 0.983 365 Y HN 0.291 nan 8.280 nan 0.000 0.524 366 G N -1.268 107.651 108.800 0.199 0.000 2.421 366 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 366 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 366 G C 1.562 176.567 174.900 0.176 0.000 1.171 366 G CA 0.938 46.142 45.100 0.174 0.000 0.775 366 G HN 0.460 nan 8.290 nan 0.000 0.543 367 Y N 1.023 121.343 120.300 0.032 0.000 2.145 367 Y HA 0.002 4.552 4.550 -0.000 0.000 0.286 367 Y C 2.648 178.549 175.900 0.001 0.000 1.145 367 Y CA 1.258 59.356 58.100 -0.002 0.000 1.148 367 Y CB -0.234 38.197 38.460 -0.047 0.000 0.981 367 Y HN 0.092 nan 8.280 nan 0.000 0.507 368 L N -0.565 120.767 121.223 0.181 0.000 2.013 368 L HA -0.325 4.015 4.340 -0.000 0.000 0.212 368 L C 2.746 179.647 176.870 0.052 0.000 1.073 368 L CA 1.933 56.830 54.840 0.095 0.000 0.753 368 L CB -0.912 41.180 42.059 0.055 0.000 0.890 368 L HN 0.443 nan 8.230 nan 0.000 0.432 369 H N 0.325 119.410 119.070 0.025 0.000 2.276 369 H HA -0.177 4.379 4.556 -0.000 0.000 0.301 369 H C 1.726 177.012 175.328 -0.070 0.000 1.073 369 H CA 2.165 58.229 56.048 0.027 0.000 1.311 369 H CB 0.067 29.883 29.762 0.091 0.000 1.379 369 H HN 0.295 nan 8.280 nan 0.000 0.494 370 D N 0.492 120.885 120.400 -0.012 0.000 2.117 370 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 370 D C 2.400 178.559 176.300 -0.234 0.000 0.987 370 D CA 0.879 54.813 54.000 -0.110 0.000 0.829 370 D CB -0.162 40.624 40.800 -0.024 0.000 0.961 370 D HN 0.396 nan 8.370 nan 0.000 0.460 371 Q N -0.180 119.398 119.800 -0.370 0.000 2.245 371 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 371 Q C 2.105 177.983 176.000 -0.203 0.000 0.955 371 Q CA 0.692 56.259 55.803 -0.394 0.000 0.870 371 Q CB -0.425 27.815 28.738 -0.831 0.000 0.945 371 Q HN 0.274 nan 8.270 nan 0.000 0.461 372 T N 1.702 116.146 114.554 -0.184 0.000 2.746 372 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 372 T C 1.990 176.600 174.700 -0.151 0.000 1.039 372 T CA 0.805 62.834 62.100 -0.118 0.000 1.142 372 T CB -0.109 68.708 68.868 -0.085 0.000 0.866 372 T HN 0.175 nan 8.240 nan 0.000 0.444 373 L N -0.278 120.793 121.223 -0.253 0.000 2.109 373 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 373 L C 2.500 179.264 176.870 -0.176 0.000 1.086 373 L CA 1.271 55.938 54.840 -0.288 0.000 0.760 373 L CB -0.528 41.235 42.059 -0.493 0.000 0.910 373 L HN 0.350 nan 8.230 nan 0.000 0.437 374 H N 0.430 119.373 119.070 -0.213 0.000 2.319 374 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 374 H C 2.254 177.507 175.328 -0.125 0.000 1.092 374 H CA 1.871 57.825 56.048 -0.158 0.000 1.302 374 H CB 0.071 29.735 29.762 -0.163 0.000 1.373 374 H HN 0.128 nan 8.280 nan 0.000 0.497 375 L N -0.373 120.862 121.223 0.020 0.000 2.017 375 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 375 L C 2.897 179.729 176.870 -0.064 0.000 1.073 375 L CA 1.028 55.861 54.840 -0.012 0.000 0.745 375 L CB -0.701 41.356 42.059 -0.003 0.000 0.894 375 L HN 0.433 nan 8.230 nan 0.000 0.432 376 A N 0.103 122.875 122.820 -0.081 0.000 1.908 376 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 376 A C 1.994 179.515 177.584 -0.105 0.000 1.181 376 A CA 1.919 53.904 52.037 -0.085 0.000 0.627 376 A CB -0.617 18.328 19.000 -0.093 0.000 0.818 376 A HN 0.460 nan 8.150 nan 0.000 0.445 377 N N -0.260 118.355 118.700 -0.143 0.000 2.520 377 N HA -0.093 4.646 4.740 -0.000 0.000 0.185 377 N C 1.351 176.770 175.510 -0.151 0.000 1.068 377 N CA 0.899 53.856 53.050 -0.155 0.000 0.911 377 N CB -0.176 38.193 38.487 -0.197 0.000 0.961 377 N HN 0.687 nan 8.380 nan 0.000 0.446 378 Q N -0.904 118.809 119.800 -0.144 0.000 2.360 378 Q HA 0.207 4.547 4.340 -0.000 0.000 0.202 378 Q C 0.672 176.626 176.000 -0.076 0.000 0.915 378 Q CA 0.195 55.931 55.803 -0.112 0.000 0.943 378 Q CB 0.678 29.357 28.738 -0.098 0.000 1.064 378 Q HN 0.345 nan 8.270 nan 0.000 0.511 379 G N 0.395 109.150 108.800 -0.075 0.000 2.159 379 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.227 379 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.227 379 G C 0.138 175.007 174.900 -0.052 0.000 0.986 379 G CA -0.112 44.951 45.100 -0.063 0.000 0.651 379 G HN 0.196 nan 8.290 nan 0.000 0.523 380 V N 2.596 122.483 119.914 -0.045 0.000 2.521 380 V HA 0.501 4.621 4.120 -0.000 0.000 0.286 380 V C 1.364 177.443 176.094 -0.024 0.000 1.034 380 V CA 0.586 62.869 62.300 -0.028 0.000 1.045 380 V CB 0.827 32.639 31.823 -0.017 0.000 0.974 380 V HN 0.745 nan 8.190 nan 0.000 0.480 381 T N 2.115 116.661 114.554 -0.014 0.000 2.862 381 T HA 0.401 4.751 4.350 -0.000 0.000 0.276 381 T C 1.262 175.983 174.700 0.034 0.000 0.974 381 T CA -0.480 61.611 62.100 -0.014 0.000 0.966 381 T CB 1.091 69.942 68.868 -0.028 0.000 1.072 381 T HN 0.459 nan 8.240 nan 0.000 0.538 382 I N 0.276 120.865 120.570 0.032 0.000 2.700 382 I HA 0.062 4.232 4.170 -0.000 0.000 0.261 382 I C 1.966 178.158 176.117 0.124 0.000 1.219 382 I CA 1.318 62.661 61.300 0.071 0.000 1.463 382 I CB -0.621 37.408 38.000 0.048 0.000 1.092 382 I HN 0.907 nan 8.210 nan 0.000 0.452 383 G N -0.583 108.287 108.800 0.117 0.000 3.042 383 G HA2 0.004 3.963 3.960 -0.000 0.000 0.212 383 G HA3 0.004 3.963 3.960 -0.000 0.000 0.212 383 G C 1.232 176.275 174.900 0.238 0.000 1.166 383 G CA 0.012 45.220 45.100 0.179 0.000 0.767 383 G HN 0.450 nan 8.290 nan 0.000 0.546 384 Q N -1.008 118.887 119.800 0.158 0.000 2.404 384 Q HA 0.203 4.543 4.340 -0.000 0.000 0.262 384 Q C 2.245 178.247 176.000 0.002 0.000 0.846 384 Q CA -0.080 55.744 55.803 0.035 0.000 0.978 384 Q CB 0.365 29.108 28.738 0.008 0.000 1.156 384 Q HN 0.179 nan 8.270 nan 0.000 0.548 385 V N 3.036 123.025 119.914 0.126 0.000 2.380 385 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 385 V C 2.340 178.505 176.094 0.118 0.000 1.063 385 V CA 2.491 64.854 62.300 0.105 0.000 1.055 385 V CB -0.459 31.426 31.823 0.103 0.000 0.657 385 V HN 0.570 nan 8.190 nan 0.000 0.455 386 H N -0.662 118.459 119.070 0.084 0.000 2.491 386 H HA -0.005 4.551 4.556 -0.000 0.000 0.290 386 H C 1.542 176.928 175.328 0.096 0.000 1.050 386 H CA 1.323 57.436 56.048 0.109 0.000 1.309 386 H CB -0.653 29.212 29.762 0.172 0.000 1.392 386 H HN 0.489 nan 8.280 nan 0.000 0.554 387 N N 0.642 119.097 118.700 -0.409 0.000 2.336 387 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 387 N C 1.365 176.816 175.510 -0.099 0.000 1.113 387 N CA 0.087 52.989 53.050 -0.247 0.000 0.858 387 N CB 0.429 38.730 38.487 -0.310 0.000 0.970 387 N HN 0.370 nan 8.380 nan 0.000 0.471 388 R N 0.001 120.466 120.500 -0.059 0.000 2.225 388 R HA 0.231 4.571 4.340 -0.000 0.000 0.194 388 R C 0.690 176.996 176.300 0.009 0.000 0.949 388 R CA -0.252 55.836 56.100 -0.020 0.000 1.088 388 R CB -0.035 30.257 30.300 -0.014 0.000 1.106 388 R HN 0.102 nan 8.270 nan 0.000 0.566 389 L N 3.224 124.465 121.223 0.030 0.000 2.360 389 L HA 0.173 4.513 4.340 -0.000 0.000 0.276 389 L C -0.592 176.316 176.870 0.063 0.000 1.121 389 L CA 0.026 54.901 54.840 0.058 0.000 0.845 389 L CB 0.342 42.441 42.059 0.067 0.000 1.143 389 L HN -0.108 nan 8.230 nan 0.000 0.452 390 R N 5.738 126.288 120.500 0.083 0.000 2.621 390 R HA 0.458 4.798 4.340 -0.000 0.000 0.284 390 R C -1.008 175.293 176.300 0.003 0.000 0.998 390 R CA -0.861 55.254 56.100 0.024 0.000 0.895 390 R CB 1.729 32.024 30.300 -0.009 0.000 1.195 390 R HN 0.668 nan 8.270 nan 0.000 0.450 391 L N 4.297 125.438 121.223 -0.137 0.000 2.461 391 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 391 L C -1.468 175.165 176.870 -0.394 0.000 1.197 391 L CA -1.363 53.232 54.840 -0.409 0.000 0.836 391 L CB 0.144 41.985 42.059 -0.364 0.000 1.105 391 L HN 0.251 nan 8.230 nan 0.000 0.477 392 P HA 0.175 nan 4.420 nan 0.000 0.274 392 P C -2.328 174.816 177.300 -0.261 0.000 1.237 392 P CA -1.604 61.300 63.100 -0.326 0.000 0.793 392 P CB 0.265 31.768 31.700 -0.328 0.000 0.977 393 P HA -0.230 nan 4.420 nan 0.000 0.216 393 P C 1.853 179.042 177.300 -0.186 0.000 1.154 393 P CA 2.257 65.255 63.100 -0.171 0.000 0.865 393 P CB -0.401 31.225 31.700 -0.123 0.000 0.789 394 S N -1.362 114.238 115.700 -0.166 0.000 2.400 394 S HA -0.131 4.339 4.470 -0.000 0.000 0.232 394 S C 1.838 176.331 174.600 -0.180 0.000 1.025 394 S CA 1.228 59.341 58.200 -0.145 0.000 0.993 394 S CB -1.421 61.715 63.200 -0.105 0.000 0.808 394 S HN 0.110 nan 8.310 nan 0.000 0.478 395 L N 0.642 121.726 121.223 -0.233 0.000 2.253 395 L HA 0.187 4.527 4.340 -0.000 0.000 0.205 395 L C 2.527 179.212 176.870 -0.309 0.000 1.078 395 L CA 1.085 55.769 54.840 -0.259 0.000 0.805 395 L CB -0.576 41.305 42.059 -0.297 0.000 0.963 395 L HN 0.277 nan 8.230 nan 0.000 0.459 396 D N -0.003 120.212 120.400 -0.308 0.000 2.178 396 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 396 D C 1.653 177.726 176.300 -0.378 0.000 0.980 396 D CA 0.995 54.806 54.000 -0.315 0.000 0.842 396 D CB 0.275 40.917 40.800 -0.262 0.000 0.948 396 D HN 0.105 nan 8.370 nan 0.000 0.472 397 Q N 0.423 120.004 119.800 -0.366 0.000 2.242 397 Q HA 0.131 4.471 4.340 -0.000 0.000 0.246 397 Q C -0.531 175.153 176.000 -0.526 0.000 0.883 397 Q CA 0.277 55.822 55.803 -0.431 0.000 0.984 397 Q CB 0.660 29.218 28.738 -0.300 0.000 1.096 397 Q HN 0.401 nan 8.270 nan 0.000 0.452 398 E N -0.859 118.975 120.200 -0.609 0.000 2.234 398 E HA 0.087 4.437 4.350 -0.000 0.000 0.266 398 E C -0.000 176.166 176.600 -0.723 0.000 0.877 398 E CA -0.497 55.454 56.400 -0.748 0.000 0.758 398 E CB 0.796 29.866 29.700 -1.048 0.000 1.170 398 E HN 0.170 nan 8.360 nan 0.000 0.415 399 W N 1.139 122.220 121.300 -0.364 0.000 2.342 399 W HA -0.249 4.411 4.660 -0.000 0.000 0.297 399 W C 1.886 178.369 176.519 -0.060 0.000 1.213 399 W CA 0.943 58.212 57.345 -0.127 0.000 1.251 399 W CB -0.345 29.156 29.460 0.068 0.000 1.136 399 W HN 0.671 nan 8.180 nan 0.000 0.526 400 Y N -1.704 118.750 120.300 0.256 0.000 2.616 400 Y HA 0.046 4.596 4.550 -0.000 0.000 0.296 400 Y C 1.103 177.016 175.900 0.021 0.000 1.154 400 Y CA 0.627 58.811 58.100 0.140 0.000 1.325 400 Y CB -1.116 37.393 38.460 0.082 0.000 1.007 400 Y HN -0.102 nan 8.280 nan 0.000 0.542 401 D N -0.192 120.090 120.400 -0.197 0.000 2.349 401 D HA 0.039 4.679 4.640 -0.000 0.000 0.214 401 D C 0.483 176.615 176.300 -0.281 0.000 1.063 401 D CA 0.183 54.055 54.000 -0.213 0.000 0.847 401 D CB 0.124 40.737 40.800 -0.312 0.000 0.933 401 D HN 0.120 nan 8.370 nan 0.000 0.513 402 R N 0.513 120.819 120.500 -0.322 0.000 2.643 402 R HA 0.335 4.675 4.340 -0.000 0.000 0.270 402 R C 1.057 177.022 176.300 -0.559 0.000 1.061 402 R CA -0.252 55.533 56.100 -0.526 0.000 1.107 402 R CB -0.077 29.744 30.300 -0.798 0.000 0.999 402 R HN -0.072 nan 8.270 nan 0.000 0.460 403 G N 2.157 110.656 108.800 -0.501 0.000 3.316 403 G HA2 0.105 4.065 3.960 -0.000 0.000 0.255 403 G HA3 0.105 4.065 3.960 -0.000 0.000 0.255 403 G C 0.163 174.902 174.900 -0.269 0.000 0.880 403 G CA -0.218 44.670 45.100 -0.354 0.000 1.956 403 G HN 0.510 nan 8.290 nan 0.000 0.634 404 Y N -0.666 119.635 120.300 0.001 0.000 2.269 404 Y HA 0.040 4.590 4.550 -0.000 0.000 0.294 404 Y C 2.410 178.355 175.900 0.075 0.000 1.120 404 Y CA 1.170 59.297 58.100 0.045 0.000 1.159 404 Y CB -0.257 38.253 38.460 0.083 0.000 1.024 404 Y HN 0.563 nan 8.280 nan 0.000 0.532 405 H N -0.952 118.168 119.070 0.084 0.000 2.332 405 H HA 0.339 4.895 4.556 -0.000 0.000 0.316 405 H C 1.360 176.707 175.328 0.031 0.000 1.069 405 H CA 0.615 56.659 56.048 -0.006 0.000 1.484 405 H CB -0.472 29.203 29.762 -0.145 0.000 1.496 405 H HN 0.138 nan 8.280 nan 0.000 0.623 406 G N -0.115 108.669 108.800 -0.027 0.000 2.580 406 G HA2 0.426 4.386 3.960 -0.000 0.000 0.278 406 G HA3 0.426 4.386 3.960 -0.000 0.000 0.278 406 G C -0.735 174.028 174.900 -0.228 0.000 1.212 406 G CA 0.074 45.108 45.100 -0.110 0.000 0.939 406 G HN 0.587 nan 8.290 nan 0.000 0.513 407 S N -1.381 114.001 115.700 -0.529 0.000 2.570 407 S HA 0.397 4.867 4.470 -0.000 0.000 0.286 407 S C 0.854 175.244 174.600 -0.350 0.000 1.099 407 S CA -0.550 57.398 58.200 -0.420 0.000 0.913 407 S CB 1.816 64.738 63.200 -0.463 0.000 1.085 407 S HN 0.372 nan 8.310 nan 0.000 0.480 408 V N 1.951 121.719 119.914 -0.243 0.000 2.332 408 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 408 V C 2.881 178.955 176.094 -0.034 0.000 1.055 408 V CA 2.499 64.717 62.300 -0.137 0.000 1.038 408 V CB -1.091 30.666 31.823 -0.110 0.000 0.651 408 V HN 1.030 nan 8.190 nan 0.000 0.450 409 S N -0.039 115.671 115.700 0.017 0.000 2.353 409 S HA -0.275 4.195 4.470 -0.000 0.000 0.222 409 S C 2.156 176.940 174.600 0.306 0.000 1.035 409 S CA 2.116 60.459 58.200 0.238 0.000 1.025 409 S CB -0.533 62.893 63.200 0.376 0.000 0.902 409 S HN 0.894 nan 8.310 nan 0.000 0.440 410 H N -0.396 118.875 119.070 0.334 0.000 2.436 410 H HA 0.133 4.689 4.556 -0.000 0.000 0.294 410 H C 1.659 177.144 175.328 0.262 0.000 1.048 410 H CA 1.198 57.442 56.048 0.326 0.000 1.353 410 H CB -0.614 29.407 29.762 0.431 0.000 1.414 410 H HN 0.348 nan 8.280 nan 0.000 0.536 411 N N 1.550 120.222 118.700 -0.048 0.000 2.188 411 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 411 N C 2.205 177.782 175.510 0.111 0.000 1.018 411 N CA 1.435 54.512 53.050 0.045 0.000 0.858 411 N CB -0.396 38.048 38.487 -0.073 0.000 0.989 411 N HN 0.527 nan 8.380 nan 0.000 0.426 412 A N 1.499 124.378 122.820 0.098 0.000 1.877 412 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 412 A C 2.235 179.892 177.584 0.122 0.000 1.186 412 A CA 1.164 53.263 52.037 0.103 0.000 0.620 412 A CB -0.435 18.632 19.000 0.111 0.000 0.822 412 A HN 0.209 nan 8.150 nan 0.000 0.443 413 R N -0.510 120.079 120.500 0.149 0.000 2.105 413 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 413 R C 2.465 178.824 176.300 0.098 0.000 1.135 413 R CA 1.152 57.324 56.100 0.121 0.000 0.967 413 R CB -0.487 29.870 30.300 0.095 0.000 0.861 413 R HN 0.533 nan 8.270 nan 0.000 0.442 414 A N 0.722 123.626 122.820 0.140 0.000 1.883 414 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 414 A C 2.363 180.020 177.584 0.122 0.000 1.186 414 A CA 1.629 53.730 52.037 0.106 0.000 0.624 414 A CB -0.683 18.461 19.000 0.241 0.000 0.822 414 A HN 0.120 nan 8.150 nan 0.000 0.444 415 V N -0.224 119.789 119.914 0.166 0.000 2.287 415 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 415 V C 2.528 178.757 176.094 0.225 0.000 1.053 415 V CA 2.090 64.522 62.300 0.222 0.000 1.027 415 V CB -0.807 31.112 31.823 0.160 0.000 0.646 415 V HN 0.606 nan 8.190 nan 0.000 0.447 416 L N 0.177 121.476 121.223 0.126 0.000 2.046 416 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 416 L C 2.444 179.375 176.870 0.102 0.000 1.077 416 L CA 2.122 57.021 54.840 0.098 0.000 0.747 416 L CB -0.517 41.575 42.059 0.054 0.000 0.896 416 L HN 0.472 nan 8.230 nan 0.000 0.432 417 N N -0.380 118.360 118.700 0.066 0.000 2.166 417 N HA -0.279 4.461 4.740 -0.000 0.000 0.186 417 N C 2.116 177.640 175.510 0.023 0.000 1.019 417 N CA 0.967 54.033 53.050 0.026 0.000 0.856 417 N CB -0.003 38.460 38.487 -0.041 0.000 0.993 417 N HN 0.289 nan 8.380 nan 0.000 0.426 418 R N -0.587 119.936 120.500 0.039 0.000 2.081 418 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 418 R C 1.387 177.605 176.300 -0.136 0.000 1.131 418 R CA 1.563 57.632 56.100 -0.051 0.000 0.960 418 R CB -0.152 30.109 30.300 -0.065 0.000 0.856 418 R HN 0.355 nan 8.270 nan 0.000 0.436 419 Y N -0.648 119.661 120.300 0.014 0.000 2.389 419 Y HA 0.091 4.641 4.550 -0.000 0.000 0.292 419 Y C 1.801 177.693 175.900 -0.013 0.000 1.117 419 Y CA 0.691 58.794 58.100 0.005 0.000 1.195 419 Y CB 0.402 38.857 38.460 -0.009 0.000 1.076 419 Y HN -0.009 nan 8.280 nan 0.000 0.548 420 L N -1.753 119.544 121.223 0.122 0.000 2.672 420 L HA 0.428 4.768 4.340 -0.000 0.000 0.236 420 L C 0.895 177.753 176.870 -0.020 0.000 1.092 420 L CA 0.312 55.175 54.840 0.038 0.000 0.887 420 L CB 0.240 42.308 42.059 0.014 0.000 1.168 420 L HN 0.272 nan 8.230 nan 0.000 0.502 421 G N 0.275 109.067 108.800 -0.014 0.000 2.685 421 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.387 421 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.387 421 G C 0.015 174.884 174.900 -0.051 0.000 1.324 421 G CA 0.116 45.183 45.100 -0.055 0.000 0.878 421 G HN 0.241 nan 8.290 nan 0.000 0.527 422 Y N -1.528 118.800 120.300 0.046 0.000 2.439 422 Y HA 0.397 4.947 4.550 -0.000 0.000 0.292 422 Y C 1.218 177.186 175.900 0.114 0.000 1.130 422 Y CA 0.662 58.790 58.100 0.048 0.000 1.254 422 Y CB -0.298 38.177 38.460 0.025 0.000 1.000 422 Y HN 0.845 nan 8.280 nan 0.000 0.554 423 Y N 4.311 124.347 120.300 -0.440 0.000 2.336 423 Y HA 0.217 4.767 4.550 -0.000 0.000 0.335 423 Y C 0.924 176.764 175.900 -0.100 0.000 1.046 423 Y CA -2.074 55.890 58.100 -0.227 0.000 1.198 423 Y CB 0.636 38.851 38.460 -0.409 0.000 1.182 423 Y HN 0.314 nan 8.280 nan 0.000 0.502 424 D N 2.783 122.994 120.400 -0.315 0.000 2.363 424 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 424 D C 1.608 177.548 176.300 -0.600 0.000 1.020 424 D CA 0.748 54.537 54.000 -0.353 0.000 0.892 424 D CB -0.253 40.464 40.800 -0.139 0.000 0.900 424 D HN 0.935 nan 8.370 nan 0.000 0.531 425 G N 0.290 108.255 108.800 -1.392 0.000 2.225 425 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 425 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 425 G C 0.174 174.758 174.900 -0.528 0.000 0.988 425 G CA 0.102 44.611 45.100 -0.984 0.000 0.625 425 G HN 0.617 nan 8.290 nan 0.000 0.527 426 N N 1.427 119.891 118.700 -0.394 0.000 2.420 426 N HA 0.492 5.232 4.740 -0.000 0.000 0.249 426 N C -1.133 174.468 175.510 0.151 0.000 1.033 426 N CA -2.258 50.754 53.050 -0.064 0.000 0.944 426 N CB 1.570 40.035 38.487 -0.038 0.000 1.113 426 N HN 0.026 nan 8.380 nan 0.000 0.502 427 P HA -0.043 nan 4.420 nan 0.000 0.228 427 P C 0.716 178.106 177.300 0.149 0.000 1.151 427 P CA 0.657 63.896 63.100 0.231 0.000 0.770 427 P CB 0.192 31.976 31.700 0.140 0.000 0.786 428 A N -0.163 122.725 122.820 0.114 0.000 2.024 428 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 428 A C 2.055 179.702 177.584 0.106 0.000 1.164 428 A CA 2.349 54.437 52.037 0.085 0.000 0.643 428 A CB -1.623 17.418 19.000 0.068 0.000 0.806 428 A HN 0.362 nan 8.150 nan 0.000 0.451 429 T N -3.818 110.839 114.554 0.172 0.000 3.054 429 T HA 0.247 4.597 4.350 -0.000 0.000 0.255 429 T C 1.343 176.177 174.700 0.223 0.000 1.035 429 T CA 0.508 62.726 62.100 0.196 0.000 0.941 429 T CB -0.026 68.972 68.868 0.217 0.000 1.026 429 T HN 0.128 nan 8.240 nan 0.000 0.533 430 L N 1.631 122.955 121.223 0.168 0.000 2.093 430 L HA 0.301 4.641 4.340 -0.000 0.000 0.208 430 L C 0.395 177.227 176.870 -0.063 0.000 1.085 430 L CA 1.728 56.519 54.840 -0.082 0.000 0.755 430 L CB -0.184 41.785 42.059 -0.149 0.000 0.904 430 L HN 0.244 nan 8.230 nan 0.000 0.435 431 D N 0.417 120.812 120.400 -0.008 0.000 2.607 431 D HA 0.274 4.914 4.640 -0.000 0.000 0.318 431 D C -2.398 173.904 176.300 0.004 0.000 1.212 431 D CA -1.667 52.325 54.000 -0.013 0.000 0.861 431 D CB 0.360 41.147 40.800 -0.021 0.000 1.064 431 D HN 0.218 nan 8.370 nan 0.000 0.500 432 P HA 0.274 nan 4.420 nan 0.000 0.279 432 P C 0.148 177.451 177.300 0.004 0.000 1.239 432 P CA -0.515 62.596 63.100 0.020 0.000 0.789 432 P CB 1.313 33.033 31.700 0.034 0.000 0.933 433 L N 1.311 122.537 121.223 0.006 0.000 2.483 433 L HA 0.054 4.394 4.340 -0.000 0.000 0.276 433 L C 1.200 178.075 176.870 0.009 0.000 1.213 433 L CA -0.020 54.822 54.840 0.004 0.000 0.843 433 L CB -0.084 41.976 42.059 0.002 0.000 1.107 433 L HN 0.448 nan 8.230 nan 0.000 0.487 434 S N 3.539 119.245 115.700 0.010 0.000 2.573 434 S HA 0.034 4.504 4.470 -0.000 0.000 0.277 434 S C -1.208 173.413 174.600 0.036 0.000 1.346 434 S CA -0.929 57.281 58.200 0.016 0.000 1.034 434 S CB 0.743 63.961 63.200 0.029 0.000 0.879 434 S HN 0.541 nan 8.310 nan 0.000 0.528 435 P HA -0.196 nan 4.420 nan 0.000 0.216 435 P C 1.292 178.679 177.300 0.144 0.000 1.150 435 P CA 1.171 64.249 63.100 -0.036 0.000 0.837 435 P CB 0.013 31.495 31.700 -0.363 0.000 0.786 436 E N -0.042 120.324 120.200 0.278 0.000 2.347 436 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 436 E C 0.843 177.525 176.600 0.138 0.000 1.008 436 E CA 1.021 57.584 56.400 0.271 0.000 0.852 436 E CB -0.743 29.082 29.700 0.208 0.000 0.783 436 E HN 0.217 nan 8.360 nan 0.000 0.505 437 D N 1.045 121.504 120.400 0.098 0.000 2.301 437 D HA -0.026 4.614 4.640 -0.000 0.000 0.206 437 D C 1.904 178.232 176.300 0.046 0.000 0.979 437 D CA 1.397 55.431 54.000 0.058 0.000 0.874 437 D CB 0.269 41.090 40.800 0.035 0.000 0.968 437 D HN 0.322 nan 8.370 nan 0.000 0.510 438 S N 0.095 115.834 115.700 0.065 0.000 2.486 438 S HA 0.230 4.700 4.470 -0.000 0.000 0.220 438 S C 2.090 176.770 174.600 0.133 0.000 1.011 438 S CA 0.452 58.679 58.200 0.044 0.000 0.921 438 S CB 0.282 63.523 63.200 0.068 0.000 0.785 438 S HN 0.131 nan 8.310 nan 0.000 0.517 439 A N 2.292 125.224 122.820 0.187 0.000 1.908 439 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 439 A C 2.358 180.043 177.584 0.167 0.000 1.181 439 A CA 1.751 53.919 52.037 0.218 0.000 0.627 439 A CB -1.833 17.283 19.000 0.193 0.000 0.818 439 A HN 0.648 nan 8.150 nan 0.000 0.445 440 G N -0.819 108.045 108.800 0.108 0.000 2.440 440 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G C 1.791 176.734 174.900 0.072 0.000 1.154 440 G CA 1.060 46.209 45.100 0.081 0.000 0.767 440 G HN 0.579 nan 8.290 nan 0.000 0.552 441 R N -1.208 119.299 120.500 0.012 0.000 2.073 441 R HA 0.015 4.355 4.340 -0.000 0.000 0.229 441 R C 2.339 178.559 176.300 -0.133 0.000 1.120 441 R CA 0.967 57.017 56.100 -0.084 0.000 0.967 441 R CB -0.418 29.738 30.300 -0.239 0.000 0.862 441 R HN 0.429 nan 8.270 nan 0.000 0.436 442 Y N 0.326 120.562 120.300 -0.107 0.000 2.128 442 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 442 Y C 2.363 178.292 175.900 0.049 0.000 1.154 442 Y CA 1.439 59.504 58.100 -0.059 0.000 1.149 442 Y CB -0.567 37.868 38.460 -0.042 0.000 0.976 442 Y HN -0.177 nan 8.280 nan 0.000 0.505 443 V N -0.006 120.039 119.914 0.220 0.000 2.287 443 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 443 V C 2.074 178.265 176.094 0.162 0.000 1.053 443 V CA 2.199 64.594 62.300 0.159 0.000 1.027 443 V CB -0.672 31.219 31.823 0.113 0.000 0.646 443 V HN 0.410 nan 8.190 nan 0.000 0.447 444 E N -0.839 119.463 120.200 0.169 0.000 2.049 444 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 444 E C 2.210 178.953 176.600 0.238 0.000 1.007 444 E CA 1.975 58.485 56.400 0.183 0.000 0.809 444 E CB -0.293 29.530 29.700 0.205 0.000 0.749 444 E HN 0.653 nan 8.360 nan 0.000 0.450 445 Y N -0.058 120.271 120.300 0.049 0.000 2.274 445 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 445 Y C 1.945 177.889 175.900 0.073 0.000 1.145 445 Y CA 0.968 59.097 58.100 0.047 0.000 1.203 445 Y CB -0.114 38.364 38.460 0.030 0.000 0.984 445 Y HN 0.062 nan 8.280 nan 0.000 0.533 446 M N -1.160 118.594 119.600 0.258 0.000 2.568 446 M HA 0.213 4.693 4.480 -0.000 0.000 0.226 446 M C 1.351 177.728 176.300 0.128 0.000 1.148 446 M CA 0.816 56.229 55.300 0.189 0.000 1.007 446 M CB -0.003 32.715 32.600 0.197 0.000 1.651 446 M HN 0.361 nan 8.290 nan 0.000 0.488 447 G N 0.533 109.398 108.800 0.109 0.000 2.141 447 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.242 447 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.242 447 G C 0.387 175.328 174.900 0.067 0.000 0.982 447 G CA -0.102 45.041 45.100 0.072 0.000 0.662 447 G HN 0.954 nan 8.290 nan 0.000 0.527 448 G N -1.846 107.003 108.800 0.081 0.000 2.663 448 G HA2 0.407 4.367 3.960 -0.000 0.000 0.686 448 G HA3 0.407 4.367 3.960 -0.000 0.000 0.686 448 G C 1.022 175.958 174.900 0.060 0.000 1.288 448 G CA 0.752 45.891 45.100 0.066 0.000 0.836 448 G HN 1.859 nan 8.290 nan 0.000 0.584 449 A N -0.391 122.458 122.820 0.049 0.000 1.892 449 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 449 A C 2.176 179.779 177.584 0.032 0.000 1.188 449 A CA 2.499 54.558 52.037 0.038 0.000 0.631 449 A CB -0.447 18.570 19.000 0.028 0.000 0.822 449 A HN 0.798 nan 8.150 nan 0.000 0.447 450 E N -0.688 119.529 120.200 0.029 0.000 2.072 450 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 450 E C 2.182 178.802 176.600 0.033 0.000 0.985 450 E CA 1.401 57.816 56.400 0.025 0.000 0.801 450 E CB -0.324 29.389 29.700 0.021 0.000 0.750 450 E HN 0.551 nan 8.360 nan 0.000 0.452 451 R N 1.209 121.734 120.500 0.041 0.000 2.075 451 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 451 R C 2.440 178.777 176.300 0.062 0.000 1.126 451 R CA 0.849 56.979 56.100 0.050 0.000 0.963 451 R CB -0.827 29.506 30.300 0.055 0.000 0.858 451 R HN 0.213 nan 8.270 nan 0.000 0.435 452 L N -0.002 121.259 121.223 0.065 0.000 2.012 452 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 452 L C 2.014 178.916 176.870 0.053 0.000 1.073 452 L CA 1.610 56.491 54.840 0.069 0.000 0.748 452 L CB -0.298 41.798 42.059 0.061 0.000 0.891 452 L HN 0.301 nan 8.230 nan 0.000 0.431 453 L N -0.274 120.969 121.223 0.034 0.000 2.042 453 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 453 L C 2.616 179.507 176.870 0.035 0.000 1.076 453 L CA 1.790 56.643 54.840 0.020 0.000 0.749 453 L CB -0.630 41.432 42.059 0.006 0.000 0.893 453 L HN 0.437 nan 8.230 nan 0.000 0.432 454 E N -0.092 120.134 120.200 0.043 0.000 2.051 454 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 454 E C 2.199 178.842 176.600 0.071 0.000 0.991 454 E CA 1.445 57.875 56.400 0.049 0.000 0.799 454 E CB 0.035 29.762 29.700 0.046 0.000 0.748 454 E HN 0.541 nan 8.360 nan 0.000 0.449 455 Q N -0.154 119.698 119.800 0.087 0.000 2.050 455 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 455 Q C 2.218 178.309 176.000 0.151 0.000 0.980 455 Q CA 1.345 57.220 55.803 0.119 0.000 0.840 455 Q CB -0.172 28.651 28.738 0.142 0.000 0.898 455 Q HN 0.314 nan 8.270 nan 0.000 0.424 456 A N 1.352 124.249 122.820 0.129 0.000 1.933 456 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 456 A C 2.004 179.677 177.584 0.148 0.000 1.175 456 A CA 1.313 53.424 52.037 0.124 0.000 0.628 456 A CB -0.387 18.631 19.000 0.030 0.000 0.814 456 A HN 0.214 nan 8.150 nan 0.000 0.444 457 R N -0.531 120.033 120.500 0.108 0.000 2.096 457 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 457 R C 2.427 178.829 176.300 0.170 0.000 1.127 457 R CA 1.155 57.326 56.100 0.117 0.000 0.968 457 R CB -0.438 29.892 30.300 0.050 0.000 0.861 457 R HN 0.511 nan 8.270 nan 0.000 0.440 458 A N 0.520 123.421 122.820 0.134 0.000 1.930 458 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 458 A C 2.158 179.810 177.584 0.114 0.000 1.175 458 A CA 1.544 53.651 52.037 0.117 0.000 0.627 458 A CB -0.278 18.777 19.000 0.090 0.000 0.815 458 A HN 0.208 nan 8.150 nan 0.000 0.443 459 S N -1.732 114.057 115.700 0.149 0.000 2.383 459 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 459 S C 1.809 176.443 174.600 0.057 0.000 1.026 459 S CA 1.253 59.534 58.200 0.135 0.000 0.981 459 S CB -0.541 62.856 63.200 0.328 0.000 0.818 459 S HN 0.683 nan 8.310 nan 0.000 0.472 460 Y N 2.450 122.773 120.300 0.040 0.000 2.181 460 Y HA -0.142 4.408 4.550 -0.000 0.000 0.288 460 Y C 2.396 178.310 175.900 0.023 0.000 1.146 460 Y CA 1.077 59.216 58.100 0.065 0.000 1.164 460 Y CB -0.660 37.880 38.460 0.133 0.000 0.982 460 Y HN 0.230 nan 8.280 nan 0.000 0.515 461 A N 0.170 123.129 122.820 0.231 0.000 2.125 461 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 461 A C 2.096 179.714 177.584 0.057 0.000 1.156 461 A CA 1.362 53.522 52.037 0.206 0.000 0.671 461 A CB -0.492 18.631 19.000 0.206 0.000 0.794 461 A HN 0.534 nan 8.150 nan 0.000 0.459 462 R N -1.476 118.914 120.500 -0.184 0.000 2.317 462 R HA 0.209 4.549 4.340 -0.000 0.000 0.208 462 R C 1.169 176.721 176.300 -1.247 0.000 0.914 462 R CA 0.489 56.342 56.100 -0.412 0.000 1.060 462 R CB 0.009 30.182 30.300 -0.212 0.000 1.015 462 R HN 0.627 nan 8.270 nan 0.000 0.498 463 G N 1.775 109.680 108.800 -1.492 0.000 2.143 463 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 463 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 463 G C -0.074 173.922 174.900 -1.508 0.000 0.991 463 G CA 0.006 43.906 45.100 -1.999 0.000 0.689 463 G HN 0.446 nan 8.290 nan 0.000 0.522 464 E N 0.324 119.988 120.200 -0.894 0.000 2.392 464 E HA 0.306 4.656 4.350 -0.000 0.000 0.307 464 E C 0.988 177.459 176.600 -0.216 0.000 1.505 464 E CA -0.614 55.543 56.400 -0.405 0.000 1.716 464 E CB -0.142 29.490 29.700 -0.114 0.000 1.450 464 E HN 0.615 nan 8.360 nan 0.000 0.484 465 Y N 0.204 120.433 120.300 -0.119 0.000 2.224 465 Y HA -0.180 4.370 4.550 -0.000 0.000 0.289 465 Y C 2.100 177.988 175.900 -0.020 0.000 1.146 465 Y CA 0.792 58.836 58.100 -0.093 0.000 1.182 465 Y CB -0.327 38.041 38.460 -0.153 0.000 0.983 465 Y HN 0.159 nan 8.280 nan 0.000 0.524 466 R N -0.788 119.803 120.500 0.152 0.000 2.115 466 R HA -0.190 4.150 4.340 -0.000 0.000 0.230 466 R C 2.267 178.672 176.300 0.175 0.000 1.111 466 R CA 1.438 57.632 56.100 0.156 0.000 0.976 466 R CB -0.638 29.763 30.300 0.169 0.000 0.870 466 R HN 0.580 nan 8.270 nan 0.000 0.445 467 W N 0.872 122.179 121.300 0.011 0.000 2.407 467 W HA -0.136 4.524 4.660 -0.000 0.000 0.305 467 W C 1.425 177.957 176.519 0.021 0.000 1.196 467 W CA 0.955 58.301 57.345 0.002 0.000 1.311 467 W CB -0.243 29.201 29.460 -0.026 0.000 1.135 467 W HN -0.157 nan 8.180 nan 0.000 0.514 468 V N 2.299 122.099 119.914 -0.190 0.000 2.324 468 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 468 V C 2.560 178.504 176.094 -0.250 0.000 1.060 468 V CA 2.553 64.693 62.300 -0.267 0.000 1.042 468 V CB -1.438 30.440 31.823 0.092 0.000 0.650 468 V HN 0.307 nan 8.190 nan 0.000 0.450 469 V N -1.400 118.449 119.914 -0.108 0.000 2.626 469 V HA -0.209 3.911 4.120 -0.000 0.000 0.252 469 V C 2.169 178.170 176.094 -0.156 0.000 1.067 469 V CA 2.294 64.548 62.300 -0.076 0.000 1.081 469 V CB -0.612 31.224 31.823 0.023 0.000 0.686 469 V HN 0.665 nan 8.190 nan 0.000 0.468 470 E N 0.190 120.247 120.200 -0.238 0.000 2.046 470 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 470 E C 2.194 178.518 176.600 -0.459 0.000 0.982 470 E CA 1.525 57.752 56.400 -0.289 0.000 0.800 470 E CB 0.086 29.660 29.700 -0.210 0.000 0.756 470 E HN 0.436 nan 8.360 nan 0.000 0.449 471 V N 0.149 119.607 119.914 -0.761 0.000 2.379 471 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 471 V C 2.186 178.049 176.094 -0.385 0.000 1.044 471 V CA 1.337 63.204 62.300 -0.723 0.000 1.036 471 V CB 0.208 31.363 31.823 -1.113 0.000 0.664 471 V HN 0.222 nan 8.190 nan 0.000 0.453 472 V N 0.829 120.559 119.914 -0.307 0.000 2.667 472 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 472 V C 2.320 178.358 176.094 -0.093 0.000 1.065 472 V CA 2.078 64.286 62.300 -0.154 0.000 1.083 472 V CB -1.204 30.555 31.823 -0.107 0.000 0.692 472 V HN 0.715 nan 8.190 nan 0.000 0.468 473 N N 0.655 119.286 118.700 -0.115 0.000 2.137 473 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 473 N C 1.936 177.431 175.510 -0.025 0.000 1.017 473 N CA 1.387 54.410 53.050 -0.045 0.000 0.859 473 N CB -0.094 38.313 38.487 -0.133 0.000 1.002 473 N HN 0.279 nan 8.380 nan 0.000 0.428 474 R N 0.005 120.421 120.500 -0.141 0.000 2.081 474 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 474 R C 1.989 178.310 176.300 0.036 0.000 1.131 474 R CA 0.738 56.772 56.100 -0.110 0.000 0.960 474 R CB -1.344 28.812 30.300 -0.240 0.000 0.856 474 R HN 0.336 nan 8.270 nan 0.000 0.436 475 L N 0.874 122.105 121.223 0.013 0.000 2.056 475 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 475 L C 2.240 179.149 176.870 0.065 0.000 1.078 475 L CA 1.360 56.224 54.840 0.040 0.000 0.749 475 L CB -0.517 41.549 42.059 0.011 0.000 0.901 475 L HN -0.141 nan 8.230 nan 0.000 0.433 476 V N -0.532 119.430 119.914 0.081 0.000 2.332 476 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 476 V C 2.370 178.518 176.094 0.090 0.000 1.055 476 V CA 2.092 64.442 62.300 0.083 0.000 1.038 476 V CB -0.847 31.043 31.823 0.110 0.000 0.651 476 V HN 0.335 nan 8.190 nan 0.000 0.450 477 F N 0.536 120.474 119.950 -0.020 0.000 2.234 477 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 477 F C 2.346 178.148 175.800 0.003 0.000 1.087 477 F CA 1.080 59.075 58.000 -0.009 0.000 1.340 477 F CB -0.844 38.148 39.000 -0.013 0.000 1.031 477 F HN 0.087 nan 8.300 nan 0.000 0.500 478 A N -0.649 122.265 122.820 0.158 0.000 1.929 478 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 478 A C 0.797 178.407 177.584 0.044 0.000 1.176 478 A CA 1.104 53.199 52.037 0.096 0.000 0.628 478 A CB -0.343 18.713 19.000 0.094 0.000 0.816 478 A HN 0.372 nan 8.150 nan 0.000 0.444 479 E N -0.619 119.597 120.200 0.027 0.000 3.132 479 E HA 0.153 4.503 4.350 -0.000 0.000 0.241 479 E C -2.353 174.233 176.600 -0.022 0.000 1.196 479 E CA -1.661 54.740 56.400 0.002 0.000 0.869 479 E CB 1.293 30.999 29.700 0.011 0.000 1.387 479 E HN 0.289 nan 8.360 nan 0.000 0.393 480 P HA -0.144 nan 4.420 nan 0.000 0.234 480 P C 0.462 177.727 177.300 -0.058 0.000 1.167 480 P CA 1.003 64.053 63.100 -0.084 0.000 0.763 480 P CB 0.248 31.866 31.700 -0.137 0.000 0.835 481 D N -2.504 117.872 120.400 -0.041 0.000 2.349 481 D HA -0.035 4.605 4.640 -0.000 0.000 0.214 481 D C 0.371 176.654 176.300 -0.028 0.000 1.063 481 D CA -0.128 53.852 54.000 -0.033 0.000 0.847 481 D CB -0.949 39.836 40.800 -0.026 0.000 0.933 481 D HN -0.023 nan 8.370 nan 0.000 0.513 482 N N 2.249 120.934 118.700 -0.026 0.000 2.448 482 N HA -0.040 4.700 4.740 -0.000 0.000 0.250 482 N C 1.438 176.929 175.510 -0.031 0.000 1.136 482 N CA -0.132 52.905 53.050 -0.022 0.000 0.953 482 N CB 0.600 39.080 38.487 -0.012 0.000 1.251 482 N HN 0.115 nan 8.380 nan 0.000 0.502 483 R N 4.124 124.603 120.500 -0.036 0.000 2.092 483 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 483 R C 1.207 177.475 176.300 -0.052 0.000 1.119 483 R CA 1.464 57.536 56.100 -0.048 0.000 0.970 483 R CB -0.972 29.299 30.300 -0.048 0.000 0.864 483 R HN 0.425 nan 8.270 nan 0.000 0.440 484 A N 1.473 124.267 122.820 -0.044 0.000 1.908 484 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 484 A C 2.554 180.105 177.584 -0.053 0.000 1.181 484 A CA 2.064 54.072 52.037 -0.048 0.000 0.627 484 A CB -0.769 18.209 19.000 -0.036 0.000 0.818 484 A HN 0.577 nan 8.150 nan 0.000 0.445 485 A N -0.217 122.578 122.820 -0.040 0.000 1.873 485 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 485 A C 2.233 179.791 177.584 -0.043 0.000 1.186 485 A CA 1.462 53.477 52.037 -0.036 0.000 0.616 485 A CB -0.464 18.525 19.000 -0.019 0.000 0.823 485 A HN 0.549 nan 8.150 nan 0.000 0.442 486 R N -0.331 120.142 120.500 -0.045 0.000 2.081 486 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 486 R C 2.013 178.268 176.300 -0.074 0.000 1.131 486 R CA 1.372 57.442 56.100 -0.050 0.000 0.960 486 R CB -0.278 29.987 30.300 -0.058 0.000 0.856 486 R HN 0.492 nan 8.270 nan 0.000 0.436 487 E N 0.752 120.899 120.200 -0.089 0.000 2.106 487 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 487 E C 1.987 178.511 176.600 -0.126 0.000 0.984 487 E CA 0.815 57.147 56.400 -0.112 0.000 0.806 487 E CB -0.188 29.447 29.700 -0.109 0.000 0.750 487 E HN 0.162 nan 8.360 nan 0.000 0.458 488 L N 1.300 122.449 121.223 -0.124 0.000 2.072 488 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 488 L C 2.463 179.276 176.870 -0.096 0.000 1.079 488 L CA 1.756 56.500 54.840 -0.160 0.000 0.752 488 L CB -0.677 41.299 42.059 -0.138 0.000 0.906 488 L HN -0.017 nan 8.230 nan 0.000 0.436 489 Q N 0.030 119.795 119.800 -0.058 0.000 2.061 489 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 489 Q C 2.179 178.164 176.000 -0.025 0.000 0.984 489 Q CA 2.440 58.228 55.803 -0.024 0.000 0.846 489 Q CB -0.611 28.120 28.738 -0.011 0.000 0.902 489 Q HN 0.575 nan 8.270 nan 0.000 0.421 490 A N 0.538 123.328 122.820 -0.051 0.000 1.883 490 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 490 A C 1.882 179.412 177.584 -0.089 0.000 1.186 490 A CA 1.987 53.984 52.037 -0.067 0.000 0.624 490 A CB -0.990 17.950 19.000 -0.101 0.000 0.822 490 A HN 0.525 nan 8.150 nan 0.000 0.444 491 D N -0.070 120.273 120.400 -0.096 0.000 2.117 491 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 491 D C 2.224 178.517 176.300 -0.011 0.000 0.987 491 D CA 1.619 55.571 54.000 -0.080 0.000 0.829 491 D CB -0.456 40.243 40.800 -0.168 0.000 0.961 491 D HN 0.445 nan 8.370 nan 0.000 0.460 492 A N 0.480 123.348 122.820 0.081 0.000 1.897 492 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 492 A C 2.396 179.856 177.584 -0.207 0.000 1.181 492 A CA 0.716 52.771 52.037 0.029 0.000 0.620 492 A CB -0.739 18.393 19.000 0.220 0.000 0.821 492 A HN 0.181 nan 8.150 nan 0.000 0.443 493 L N -0.648 120.501 121.223 -0.124 0.000 2.046 493 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 493 L C 2.655 179.356 176.870 -0.281 0.000 1.077 493 L CA 1.913 56.672 54.840 -0.135 0.000 0.747 493 L CB -0.462 41.634 42.059 0.062 0.000 0.896 493 L HN 0.626 nan 8.230 nan 0.000 0.432 494 E N -0.402 119.620 120.200 -0.296 0.000 2.077 494 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 494 E C 2.237 178.349 176.600 -0.813 0.000 0.989 494 E CA 1.089 57.190 56.400 -0.499 0.000 0.800 494 E CB 0.111 29.537 29.700 -0.457 0.000 0.746 494 E HN 0.413 nan 8.360 nan 0.000 0.452 495 Q N 0.343 119.729 119.800 -0.690 0.000 2.096 495 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 495 Q C 2.484 178.243 176.000 -0.403 0.000 0.982 495 Q CA 1.121 56.551 55.803 -0.621 0.000 0.850 495 Q CB -0.319 27.780 28.738 -1.065 0.000 0.901 495 Q HN 0.437 nan 8.270 nan 0.000 0.422 496 L N -0.310 120.617 121.223 -0.494 0.000 2.083 496 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 496 L C 2.365 179.016 176.870 -0.364 0.000 1.083 496 L CA 1.185 55.722 54.840 -0.506 0.000 0.752 496 L CB -0.828 40.602 42.059 -1.049 0.000 0.899 496 L HN 0.277 nan 8.230 nan 0.000 0.433 497 G N -0.997 107.624 108.800 -0.297 0.000 2.404 497 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 497 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 497 G C 1.304 176.336 174.900 0.220 0.000 1.174 497 G CA 0.351 45.522 45.100 0.117 0.000 0.780 497 G HN 0.192 nan 8.290 nan 0.000 0.537 498 Y N 1.075 121.406 120.300 0.052 0.000 2.207 498 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 498 Y C 3.019 178.980 175.900 0.102 0.000 1.156 498 Y CA 1.017 59.161 58.100 0.073 0.000 1.182 498 Y CB -0.830 37.653 38.460 0.038 0.000 0.979 498 Y HN 0.321 nan 8.280 nan 0.000 0.521 499 Q N -0.303 119.649 119.800 0.253 0.000 2.311 499 Q HA 0.124 4.464 4.340 -0.000 0.000 0.203 499 Q C 0.883 177.016 176.000 0.221 0.000 0.954 499 Q CA 0.405 56.335 55.803 0.213 0.000 0.885 499 Q CB -0.089 28.756 28.738 0.178 0.000 0.963 499 Q HN 0.318 nan 8.270 nan 0.000 0.471 500 A N 1.397 124.373 122.820 0.261 0.000 2.491 500 A HA -0.049 4.271 4.320 -0.000 0.000 0.261 500 A C 0.812 178.536 177.584 0.232 0.000 1.101 500 A CA 0.015 52.228 52.037 0.294 0.000 0.772 500 A CB 0.315 19.597 19.000 0.470 0.000 1.043 500 A HN 0.325 nan 8.150 nan 0.000 0.501 501 E N 2.743 123.032 120.200 0.148 0.000 2.152 501 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 501 E C 0.693 177.405 176.600 0.187 0.000 0.983 501 E CA 0.199 56.702 56.400 0.171 0.000 0.818 501 E CB 0.027 29.768 29.700 0.069 0.000 0.758 501 E HN 0.798 nan 8.360 nan 0.000 0.467 502 N N 0.123 118.845 118.700 0.037 0.000 2.470 502 N HA 0.001 4.741 4.740 -0.000 0.000 0.268 502 N C 0.503 176.131 175.510 0.197 0.000 1.136 502 N CA 0.509 53.580 53.050 0.035 0.000 0.961 502 N CB 1.517 39.800 38.487 -0.341 0.000 1.067 502 N HN 0.172 nan 8.380 nan 0.000 0.468 503 A N 3.962 126.906 122.820 0.207 0.000 1.902 503 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 503 A C 1.923 179.605 177.584 0.163 0.000 1.181 503 A CA 1.872 54.020 52.037 0.184 0.000 0.623 503 A CB -0.940 18.147 19.000 0.146 0.000 0.818 503 A HN 0.767 nan 8.150 nan 0.000 0.443 504 G N -1.722 107.167 108.800 0.149 0.000 2.402 504 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 504 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 504 G C 1.299 176.326 174.900 0.212 0.000 1.162 504 G CA 0.922 46.085 45.100 0.104 0.000 0.777 504 G HN 0.565 nan 8.290 nan 0.000 0.539 505 W N 0.779 122.079 121.300 0.001 0.000 2.355 505 W HA 0.044 4.704 4.660 -0.000 0.000 0.309 505 W C 2.769 179.348 176.519 0.099 0.000 1.206 505 W CA 0.994 58.334 57.345 -0.009 0.000 1.284 505 W CB -0.701 28.835 29.460 0.128 0.000 1.145 505 W HN 0.128 nan 8.180 nan 0.000 0.502 506 R N 0.489 121.251 120.500 0.436 0.000 2.097 506 R HA -0.226 4.114 4.340 -0.000 0.000 0.236 506 R C 1.902 178.347 176.300 0.242 0.000 1.135 506 R CA 2.132 58.449 56.100 0.361 0.000 0.934 506 R CB -0.791 29.686 30.300 0.294 0.000 0.846 506 R HN 0.107 nan 8.270 nan 0.000 0.431 507 N N 0.232 119.031 118.700 0.165 0.000 2.104 507 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 507 N C 1.839 177.355 175.510 0.009 0.000 1.024 507 N CA 1.763 54.865 53.050 0.087 0.000 0.853 507 N CB -0.372 38.158 38.487 0.072 0.000 1.008 507 N HN 0.201 nan 8.380 nan 0.000 0.424 508 S N 0.265 115.961 115.700 -0.006 0.000 2.355 508 S HA -0.069 4.401 4.470 -0.000 0.000 0.222 508 S C 1.750 176.261 174.600 -0.149 0.000 1.031 508 S CA 0.699 58.843 58.200 -0.094 0.000 0.993 508 S CB -0.372 62.744 63.200 -0.139 0.000 0.859 508 S HN 0.326 nan 8.310 nan 0.000 0.453 509 Y N 1.947 122.230 120.300 -0.028 0.000 2.181 509 Y HA -0.030 4.520 4.550 -0.000 0.000 0.288 509 Y C 2.109 177.955 175.900 -0.090 0.000 1.146 509 Y CA 0.680 58.753 58.100 -0.045 0.000 1.164 509 Y CB -0.653 37.806 38.460 -0.002 0.000 0.982 509 Y HN 0.177 nan 8.280 nan 0.000 0.515 510 L N -1.607 119.672 121.223 0.093 0.000 2.156 510 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 510 L C 2.252 179.099 176.870 -0.038 0.000 1.095 510 L CA 1.139 55.998 54.840 0.031 0.000 0.770 510 L CB -0.595 41.510 42.059 0.076 0.000 0.914 510 L HN 0.071 nan 8.230 nan 0.000 0.439 511 S N 0.210 115.788 115.700 -0.204 0.000 2.387 511 S HA -0.054 4.416 4.470 -0.000 0.000 0.226 511 S C 2.250 176.568 174.600 -0.469 0.000 1.026 511 S CA 1.004 58.952 58.200 -0.419 0.000 0.972 511 S CB -0.119 62.621 63.200 -0.766 0.000 0.814 511 S HN 0.468 nan 8.310 nan 0.000 0.477 512 A N 1.861 124.408 122.820 -0.456 0.000 1.877 512 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 512 A C 2.374 179.960 177.584 0.004 0.000 1.186 512 A CA 1.638 53.608 52.037 -0.112 0.000 0.620 512 A CB -1.154 17.889 19.000 0.071 0.000 0.822 512 A HN 0.498 nan 8.150 nan 0.000 0.443 513 A N -1.406 121.412 122.820 -0.003 0.000 1.908 513 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 513 A C 2.156 179.732 177.584 -0.013 0.000 1.181 513 A CA 1.790 53.819 52.037 -0.015 0.000 0.627 513 A CB -0.909 18.070 19.000 -0.036 0.000 0.818 513 A HN 0.736 nan 8.150 nan 0.000 0.445 514 Y N 0.758 121.008 120.300 -0.083 0.000 2.128 514 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 514 Y C 2.329 178.220 175.900 -0.016 0.000 1.154 514 Y CA 2.360 60.451 58.100 -0.015 0.000 1.149 514 Y CB -0.218 38.260 38.460 0.030 0.000 0.976 514 Y HN 0.478 nan 8.280 nan 0.000 0.505 515 E N -0.145 120.188 120.200 0.223 0.000 2.107 515 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 515 E C 2.216 178.831 176.600 0.024 0.000 0.982 515 E CA 1.174 57.672 56.400 0.163 0.000 0.809 515 E CB -0.214 29.632 29.700 0.243 0.000 0.756 515 E HN 0.495 nan 8.360 nan 0.000 0.459 516 L N 0.501 121.719 121.223 -0.008 0.000 2.046 516 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 516 L C 2.563 179.343 176.870 -0.151 0.000 1.077 516 L CA 1.244 56.052 54.840 -0.053 0.000 0.747 516 L CB -0.221 41.816 42.059 -0.037 0.000 0.896 516 L HN 0.034 nan 8.230 nan 0.000 0.432 517 R N -1.395 118.933 120.500 -0.286 0.000 2.073 517 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 517 R C 1.978 177.951 176.300 -0.545 0.000 1.120 517 R CA 0.977 56.780 56.100 -0.495 0.000 0.967 517 R CB -0.106 29.717 30.300 -0.794 0.000 0.862 517 R HN 0.440 nan 8.270 nan 0.000 0.436 518 H N -1.323 117.600 119.070 -0.244 0.000 2.750 518 H HA 0.292 4.848 4.556 -0.000 0.000 0.263 518 H C 1.041 176.275 175.328 -0.156 0.000 0.964 518 H CA 0.789 56.679 56.048 -0.264 0.000 1.205 518 H CB 0.955 30.415 29.762 -0.503 0.000 1.454 518 H HN 0.347 nan 8.280 nan 0.000 0.503 519 G N 1.016 109.809 108.800 -0.011 0.000 2.757 519 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.638 519 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.638 519 G C -0.192 174.727 174.900 0.032 0.000 1.344 519 G CA -0.307 44.796 45.100 0.006 0.000 0.855 519 G HN 0.481 nan 8.290 nan 0.000 0.537 520 V N -1.537 118.385 119.914 0.013 0.000 2.644 520 V HA 0.813 4.933 4.120 -0.000 0.000 0.295 520 V C -1.567 174.428 176.094 -0.165 0.000 1.053 520 V CA -1.473 60.805 62.300 -0.036 0.000 0.987 520 V CB 1.298 33.152 31.823 0.051 0.000 1.006 520 V HN 0.910 nan 8.190 nan 0.000 0.472 521 P HA 0.216 nan 4.420 nan 0.000 0.265 521 P C -0.239 176.880 177.300 -0.301 0.000 1.193 521 P CA 0.114 62.948 63.100 -0.443 0.000 0.765 521 P CB 0.417 31.608 31.700 -0.850 0.000 0.823 522 R N 1.709 122.119 120.500 -0.150 0.000 2.432 522 R HA 0.040 4.380 4.340 -0.000 0.000 0.260 522 R C 0.515 176.805 176.300 -0.017 0.000 0.935 522 R CA 0.201 56.270 56.100 -0.051 0.000 1.080 522 R CB 0.250 30.536 30.300 -0.024 0.000 1.155 522 R HN 0.543 nan 8.270 nan 0.000 0.531 523 D N 0.122 120.495 120.400 -0.044 0.000 2.441 523 D HA -0.078 4.562 4.640 -0.000 0.000 0.210 523 D C 0.308 176.648 176.300 0.068 0.000 1.102 523 D CA -0.087 53.918 54.000 0.007 0.000 0.840 523 D CB 0.115 40.908 40.800 -0.012 0.000 0.990 523 D HN 0.222 nan 8.370 nan 0.000 0.505 531 S N 0.558 116.252 115.700 -0.011 0.000 2.422 531 S HA 0.509 4.978 4.470 -0.000 0.000 0.283 531 S C 1.651 176.247 174.600 -0.006 0.000 1.163 531 S CA 0.594 58.794 58.200 -0.001 0.000 1.054 531 S CB 0.769 63.976 63.200 0.012 0.000 0.967 531 S HN 1.679 nan 8.310 nan 0.000 0.499 532 A N 4.858 127.677 122.820 -0.001 0.000 1.908 532 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 532 A C 1.788 179.366 177.584 -0.010 0.000 1.181 532 A CA 1.900 53.934 52.037 -0.006 0.000 0.627 532 A CB -0.687 18.312 19.000 -0.001 0.000 0.818 532 A HN 0.807 nan 8.150 nan 0.000 0.445 533 D N -0.020 120.380 120.400 0.001 0.000 2.117 533 D HA -0.013 4.627 4.640 -0.000 0.000 0.198 533 D C 2.249 178.533 176.300 -0.026 0.000 0.982 533 D CA 1.530 55.528 54.000 -0.003 0.000 0.828 533 D CB -0.464 40.350 40.800 0.023 0.000 0.967 533 D HN 0.421 nan 8.370 nan 0.000 0.464 534 A N 0.739 123.551 122.820 -0.013 0.000 1.873 534 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 534 A C 2.129 179.675 177.584 -0.063 0.000 1.186 534 A CA 1.036 53.053 52.037 -0.032 0.000 0.616 534 A CB -0.823 18.180 19.000 0.005 0.000 0.823 534 A HN 0.241 nan 8.150 nan 0.000 0.442 535 L N 0.020 121.210 121.223 -0.056 0.000 2.042 535 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 535 L C 2.628 179.454 176.870 -0.074 0.000 1.076 535 L CA 2.338 57.136 54.840 -0.070 0.000 0.749 535 L CB -0.869 41.157 42.059 -0.056 0.000 0.893 535 L HN 0.354 nan 8.230 nan 0.000 0.432 536 A N -0.751 122.034 122.820 -0.058 0.000 2.019 536 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 536 A C 2.350 179.894 177.584 -0.067 0.000 1.164 536 A CA 1.604 53.608 52.037 -0.056 0.000 0.644 536 A CB -0.990 17.988 19.000 -0.037 0.000 0.805 536 A HN 0.582 nan 8.150 nan 0.000 0.449 537 A N -1.380 121.389 122.820 -0.084 0.000 2.119 537 A HA 0.282 4.602 4.320 -0.000 0.000 0.216 537 A C 1.287 178.805 177.584 -0.110 0.000 1.152 537 A CA 0.444 52.417 52.037 -0.106 0.000 0.708 537 A CB -0.364 18.536 19.000 -0.166 0.000 0.805 537 A HN 0.568 nan 8.150 nan 0.000 0.460 538 M N 1.742 121.278 119.600 -0.108 0.000 2.227 538 M HA 0.116 4.596 4.480 -0.000 0.000 0.349 538 M C -0.346 175.888 176.300 -0.110 0.000 1.443 538 M CA -0.290 54.943 55.300 -0.111 0.000 1.110 538 M CB -0.009 32.519 32.600 -0.120 0.000 1.773 538 M HN 0.366 nan 8.290 nan 0.000 0.463 539 D N 3.636 123.984 120.400 -0.087 0.000 2.548 539 D HA -0.083 4.557 4.640 -0.000 0.000 0.231 539 D C 0.703 176.914 176.300 -0.148 0.000 1.142 539 D CA 0.682 54.641 54.000 -0.069 0.000 0.866 539 D CB 1.061 41.849 40.800 -0.021 0.000 1.190 539 D HN 0.725 nan 8.370 nan 0.000 0.469 540 T N 2.593 117.035 114.554 -0.186 0.000 2.720 540 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 540 T C 1.835 176.124 174.700 -0.686 0.000 1.037 540 T CA 1.278 63.073 62.100 -0.509 0.000 1.144 540 T CB -0.569 68.001 68.868 -0.496 0.000 0.864 540 T HN 0.637 nan 8.240 nan 0.000 0.444 541 G N 1.355 110.035 108.800 -0.201 0.000 2.418 541 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 541 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 541 G C 1.509 176.433 174.900 0.040 0.000 1.158 541 G CA 0.762 45.924 45.100 0.103 0.000 0.771 541 G HN 0.430 nan 8.290 nan 0.000 0.545 542 L N 0.100 121.314 121.223 -0.015 0.000 2.093 542 L HA 0.106 4.446 4.340 -0.000 0.000 0.208 542 L C 2.489 179.353 176.870 -0.009 0.000 1.085 542 L CA 1.338 56.185 54.840 0.011 0.000 0.755 542 L CB -0.483 41.573 42.059 -0.005 0.000 0.904 542 L HN 0.190 nan 8.230 nan 0.000 0.435 543 L N -1.075 120.049 121.223 -0.165 0.000 2.012 543 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 543 L C 2.205 179.038 176.870 -0.062 0.000 1.073 543 L CA 1.938 56.672 54.840 -0.176 0.000 0.748 543 L CB -0.882 40.937 42.059 -0.400 0.000 0.891 543 L HN 0.218 nan 8.230 nan 0.000 0.431 544 F N 0.069 120.005 119.950 -0.022 0.000 2.234 544 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 544 F C 2.355 178.167 175.800 0.020 0.000 1.087 544 F CA 1.060 59.044 58.000 -0.026 0.000 1.340 544 F CB -1.170 37.776 39.000 -0.090 0.000 1.031 544 F HN 0.186 nan 8.300 nan 0.000 0.500 545 D N -0.970 119.563 120.400 0.222 0.000 2.117 545 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 545 D C 2.108 178.511 176.300 0.172 0.000 0.987 545 D CA 1.268 55.374 54.000 0.176 0.000 0.829 545 D CB -0.774 40.121 40.800 0.158 0.000 0.961 545 D HN 0.315 nan 8.370 nan 0.000 0.460 546 Y N 1.483 121.830 120.300 0.079 0.000 2.181 546 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 546 Y C 2.192 178.151 175.900 0.100 0.000 1.146 546 Y CA 1.158 59.309 58.100 0.085 0.000 1.164 546 Y CB -0.400 38.095 38.460 0.057 0.000 0.982 546 Y HN -0.089 nan 8.280 nan 0.000 0.515 547 L N -0.720 120.516 121.223 0.022 0.000 2.083 547 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 547 L C 2.690 179.509 176.870 -0.085 0.000 1.083 547 L CA 1.228 56.034 54.840 -0.055 0.000 0.752 547 L CB -1.213 40.916 42.059 0.117 0.000 0.899 547 L HN 0.387 nan 8.230 nan 0.000 0.433 548 G N -0.456 108.336 108.800 -0.014 0.000 2.432 548 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 548 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 548 G C 1.583 176.479 174.900 -0.006 0.000 1.135 548 G CA 0.766 45.858 45.100 -0.013 0.000 0.767 548 G HN 0.203 nan 8.290 nan 0.000 0.550 549 V N 0.471 120.365 119.914 -0.033 0.000 2.427 549 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 549 V C 2.828 178.931 176.094 0.015 0.000 1.051 549 V CA 1.636 63.938 62.300 0.002 0.000 1.048 549 V CB -0.386 31.452 31.823 0.025 0.000 0.666 549 V HN 0.324 nan 8.190 nan 0.000 0.456 550 R N -0.582 119.802 120.500 -0.195 0.000 2.189 550 R HA 0.012 4.352 4.340 -0.000 0.000 0.218 550 R C 0.821 177.003 176.300 -0.196 0.000 1.074 550 R CA 0.052 55.980 56.100 -0.287 0.000 0.991 550 R CB -0.274 29.756 30.300 -0.450 0.000 0.883 550 R HN 0.325 nan 8.270 nan 0.000 0.457 551 L N 2.728 123.882 121.223 -0.115 0.000 2.628 551 L HA -0.086 4.254 4.340 -0.000 0.000 0.274 551 L C -0.004 176.832 176.870 -0.056 0.000 1.209 551 L CA 0.691 55.480 54.840 -0.084 0.000 0.930 551 L CB 0.209 42.242 42.059 -0.044 0.000 1.183 551 L HN -0.022 nan 8.230 nan 0.000 0.492 552 D N 4.396 124.750 120.400 -0.077 0.000 2.336 552 D HA 0.142 4.782 4.640 -0.000 0.000 0.249 552 D C 0.853 177.135 176.300 -0.030 0.000 1.213 552 D CA 0.518 54.487 54.000 -0.053 0.000 0.870 552 D CB 1.708 42.462 40.800 -0.076 0.000 1.076 552 D HN 0.772 nan 8.370 nan 0.000 0.483 553 A N 3.844 126.658 122.820 -0.010 0.000 1.940 553 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 553 A C 2.034 179.613 177.584 -0.008 0.000 1.176 553 A CA 1.764 53.800 52.037 -0.002 0.000 0.631 553 A CB -0.642 18.362 19.000 0.006 0.000 0.814 553 A HN 0.656 nan 8.150 nan 0.000 0.446 554 G N -0.559 108.234 108.800 -0.012 0.000 2.418 554 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 554 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 554 G C 1.715 176.604 174.900 -0.018 0.000 1.158 554 G CA 1.375 46.467 45.100 -0.014 0.000 0.771 554 G HN 0.805 nan 8.290 nan 0.000 0.545 555 A N 0.828 123.632 122.820 -0.027 0.000 1.968 555 A HA 0.420 4.740 4.320 -0.000 0.000 0.217 555 A C 2.649 180.216 177.584 -0.027 0.000 1.169 555 A CA 1.929 53.947 52.037 -0.032 0.000 0.638 555 A CB -0.458 18.512 19.000 -0.051 0.000 0.812 555 A HN 0.735 nan 8.150 nan 0.000 0.446 556 A N -0.525 122.281 122.820 -0.024 0.000 2.123 556 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 556 A C 0.976 178.554 177.584 -0.009 0.000 1.152 556 A CA 0.343 52.369 52.037 -0.018 0.000 0.728 556 A CB -0.324 18.666 19.000 -0.015 0.000 0.814 556 A HN 0.586 nan 8.150 nan 0.000 0.464 557 E N -0.207 119.989 120.200 -0.007 0.000 2.493 557 E HA 0.273 4.623 4.350 -0.000 0.000 0.255 557 E C 1.202 177.800 176.600 -0.004 0.000 0.999 557 E CA 0.681 57.079 56.400 -0.003 0.000 0.934 557 E CB -0.122 29.576 29.700 -0.004 0.000 0.940 557 E HN 0.658 nan 8.360 nan 0.000 0.473 558 G N 3.882 112.681 108.800 -0.001 0.000 2.179 558 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 558 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 558 G C -0.060 174.838 174.900 -0.003 0.000 0.977 558 G CA 0.251 45.350 45.100 -0.002 0.000 0.641 558 G HN 0.454 nan 8.290 nan 0.000 0.533 559 K N 0.348 120.745 120.400 -0.005 0.000 2.098 559 K HA 0.837 5.157 4.320 -0.000 0.000 0.261 559 K C 0.057 176.653 176.600 -0.008 0.000 0.987 559 K CA 0.204 56.486 56.287 -0.008 0.000 0.916 559 K CB 1.969 34.462 32.500 -0.012 0.000 1.039 559 K HN 1.057 nan 8.250 nan 0.000 0.455 560 A N 1.927 124.741 122.820 -0.010 0.000 2.488 560 A HA 0.652 4.972 4.320 -0.000 0.000 0.295 560 A C -1.496 176.078 177.584 -0.016 0.000 1.045 560 A CA -0.819 51.210 52.037 -0.012 0.000 0.703 560 A CB 0.802 19.798 19.000 -0.008 0.000 1.271 560 A HN 0.560 nan 8.150 nan 0.000 0.400 561 L N -0.316 120.893 121.223 -0.023 0.000 2.556 561 L HA 0.941 5.281 4.340 -0.000 0.000 0.257 561 L C -0.445 176.404 176.870 -0.035 0.000 0.955 561 L CA -0.543 54.282 54.840 -0.026 0.000 0.850 561 L CB 1.679 43.724 42.059 -0.025 0.000 1.398 561 L HN 0.939 nan 8.230 nan 0.000 0.412 562 S N 1.147 116.826 115.700 -0.034 0.000 2.557 562 S HA 0.927 5.397 4.470 -0.000 0.000 0.291 562 S C -0.738 173.837 174.600 -0.042 0.000 1.116 562 S CA -0.519 57.656 58.200 -0.041 0.000 0.992 562 S CB 1.297 64.477 63.200 -0.032 0.000 1.028 562 S HN 0.693 nan 8.310 nan 0.000 0.484 563 I N 2.570 123.107 120.570 -0.056 0.000 2.499 563 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 563 I C -0.834 175.250 176.117 -0.055 0.000 1.048 563 I CA -0.823 60.444 61.300 -0.054 0.000 1.062 563 I CB 1.966 39.926 38.000 -0.067 0.000 1.238 563 I HN 0.601 nan 8.210 nan 0.000 0.426 564 N N 6.024 124.704 118.700 -0.033 0.000 2.430 564 N HA 0.316 5.056 4.740 -0.000 0.000 0.265 564 N C -0.939 174.568 175.510 -0.005 0.000 1.100 564 N CA -0.280 52.760 53.050 -0.017 0.000 0.961 564 N CB 1.761 40.243 38.487 -0.007 0.000 1.075 564 N HN 0.351 nan 8.380 nan 0.000 0.478 565 L N 3.368 124.602 121.223 0.017 0.000 2.305 565 L HA 0.424 4.764 4.340 -0.000 0.000 0.284 565 L C -0.348 176.594 176.870 0.120 0.000 1.013 565 L CA -0.447 54.425 54.840 0.054 0.000 0.819 565 L CB 0.764 42.842 42.059 0.032 0.000 1.227 565 L HN 0.355 nan 8.230 nan 0.000 0.417 566 R N 5.479 126.035 120.500 0.092 0.000 2.445 566 R HA 0.661 5.001 4.340 -0.000 0.000 0.308 566 R C -1.401 174.959 176.300 0.100 0.000 0.961 566 R CA -0.752 55.405 56.100 0.095 0.000 0.862 566 R CB 1.534 31.866 30.300 0.053 0.000 1.144 566 R HN 0.513 nan 8.270 nan 0.000 0.447 567 L N 4.870 126.164 121.223 0.118 0.000 2.433 567 L HA 0.341 4.681 4.340 -0.000 0.000 0.256 567 L C -2.003 174.909 176.870 0.070 0.000 1.063 567 L CA -1.464 53.433 54.840 0.095 0.000 0.922 567 L CB 1.735 43.866 42.059 0.119 0.000 1.238 567 L HN 0.381 nan 8.230 nan 0.000 0.466 568 P HA -0.129 nan 4.420 nan 0.000 0.219 568 P C 0.996 178.314 177.300 0.029 0.000 1.150 568 P CA 0.992 64.112 63.100 0.035 0.000 0.814 568 P CB 0.179 31.895 31.700 0.025 0.000 0.787 569 D N 0.818 121.233 120.400 0.026 0.000 2.178 569 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 569 D C 1.633 177.946 176.300 0.021 0.000 0.980 569 D CA 1.290 55.301 54.000 0.019 0.000 0.842 569 D CB -1.121 39.687 40.800 0.013 0.000 0.948 569 D HN 0.340 nan 8.370 nan 0.000 0.472 570 I N -4.664 115.925 120.570 0.032 0.000 3.956 570 I HA 0.456 4.626 4.170 -0.000 0.000 0.333 570 I C 1.344 177.487 176.117 0.044 0.000 1.302 570 I CA 0.149 61.471 61.300 0.036 0.000 1.122 570 I CB 0.058 38.084 38.000 0.043 0.000 1.013 570 I HN 0.039 nan 8.210 nan 0.000 0.405 571 G N 1.959 110.786 108.800 0.044 0.000 2.273 571 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 571 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 571 G C -0.265 174.664 174.900 0.048 0.000 1.047 571 G CA 0.312 45.435 45.100 0.038 0.000 0.869 571 G HN 0.691 nan 8.290 nan 0.000 0.502 572 E N -0.060 120.194 120.200 0.089 0.000 2.212 572 E HA 0.475 4.825 4.350 -0.000 0.000 0.268 572 E C -0.483 176.207 176.600 0.150 0.000 0.902 572 E CA -0.977 55.494 56.400 0.118 0.000 0.779 572 E CB 1.056 30.910 29.700 0.258 0.000 1.172 572 E HN 0.222 nan 8.360 nan 0.000 0.409 573 N N 1.779 120.506 118.700 0.044 0.000 2.284 573 N HA 0.374 5.114 4.740 -0.000 0.000 0.300 573 N C -1.522 173.960 175.510 -0.046 0.000 1.047 573 N CA -0.416 52.671 53.050 0.063 0.000 0.821 573 N CB 1.233 39.719 38.487 -0.002 0.000 1.337 573 N HN 0.355 nan 8.380 nan 0.000 0.482 574 Y N 0.380 120.702 120.300 0.038 0.000 2.462 574 Y HA 0.439 4.989 4.550 -0.000 0.000 0.346 574 Y C -0.333 175.521 175.900 -0.077 0.000 0.976 574 Y CA -0.986 57.115 58.100 0.001 0.000 1.044 574 Y CB 1.838 40.314 38.460 0.028 0.000 1.230 574 Y HN 0.329 nan 8.280 nan 0.000 0.455 575 L N 4.661 125.908 121.223 0.041 0.000 2.272 575 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 575 L C -1.490 175.344 176.870 -0.060 0.000 1.032 575 L CA -0.373 54.456 54.840 -0.019 0.000 0.810 575 L CB 0.378 42.422 42.059 -0.024 0.000 1.205 575 L HN 0.528 nan 8.230 nan 0.000 0.422 576 L N 5.410 126.561 121.223 -0.120 0.000 2.296 576 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 576 L C -0.337 176.463 176.870 -0.117 0.000 1.023 576 L CA -0.405 54.327 54.840 -0.179 0.000 0.812 576 L CB 1.300 43.196 42.059 -0.271 0.000 1.223 576 L HN 0.608 nan 8.230 nan 0.000 0.421 577 E N 3.640 123.774 120.200 -0.109 0.000 2.216 577 E HA 0.379 4.729 4.350 -0.000 0.000 0.260 577 E C -1.346 175.194 176.600 -0.099 0.000 0.880 577 E CA -0.760 55.592 56.400 -0.081 0.000 0.765 577 E CB 2.964 32.633 29.700 -0.051 0.000 1.174 577 E HN 0.286 nan 8.360 nan 0.000 0.417 578 L N 3.674 124.850 121.223 -0.079 0.000 2.264 578 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 578 L C -0.956 175.892 176.870 -0.037 0.000 1.044 578 L CA 0.217 55.012 54.840 -0.074 0.000 0.807 578 L CB 0.456 42.479 42.059 -0.061 0.000 1.192 578 L HN 0.459 nan 8.230 nan 0.000 0.425 579 K N 3.232 123.623 120.400 -0.016 0.000 2.587 579 K HA 0.356 4.676 4.320 -0.000 0.000 0.276 579 K C -0.628 175.999 176.600 0.045 0.000 0.956 579 K CA -0.696 55.598 56.287 0.012 0.000 0.857 579 K CB 1.255 33.764 32.500 0.014 0.000 1.431 579 K HN 0.628 nan 8.250 nan 0.000 0.420 580 N N 1.570 120.291 118.700 0.035 0.000 2.721 580 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 580 N C -1.129 174.416 175.510 0.059 0.000 1.072 580 N CA 1.565 54.640 53.050 0.041 0.000 0.710 580 N CB -1.372 37.142 38.487 0.045 0.000 0.993 580 N HN 0.758 nan 8.380 nan 0.000 0.547 581 S N -1.523 114.205 115.700 0.048 0.000 3.635 581 S HA -0.261 4.209 4.470 -0.000 0.000 0.328 581 S C -0.166 174.501 174.600 0.110 0.000 1.135 581 S CA 1.286 59.517 58.200 0.051 0.000 0.942 581 S CB -1.424 61.795 63.200 0.032 0.000 0.930 581 S HN 0.833 nan 8.310 nan 0.000 0.512 582 H N -0.777 118.287 119.070 -0.010 0.000 2.856 582 H HA 0.555 5.111 4.556 -0.000 0.000 0.355 582 H C -1.093 174.231 175.328 -0.007 0.000 1.079 582 H CA -0.937 55.107 56.048 -0.006 0.000 1.240 582 H CB 1.086 30.847 29.762 -0.001 0.000 1.701 582 H HN 0.209 nan 8.280 nan 0.000 0.527 583 L N 5.484 126.416 121.223 -0.485 0.000 2.265 583 L HA 0.313 4.653 4.340 -0.000 0.000 0.288 583 L C -0.710 175.765 176.870 -0.659 0.000 1.058 583 L CA -0.249 54.337 54.840 -0.425 0.000 0.809 583 L CB 0.627 42.565 42.059 -0.202 0.000 1.179 583 L HN 0.596 nan 8.230 nan 0.000 0.429 584 N N 3.436 121.888 118.700 -0.414 0.000 2.370 584 N HA 0.435 5.175 4.740 -0.000 0.000 0.303 584 N C -1.215 174.226 175.510 -0.115 0.000 1.103 584 N CA -0.546 52.368 53.050 -0.227 0.000 0.848 584 N CB 1.852 40.277 38.487 -0.104 0.000 1.235 584 N HN 0.737 nan 8.380 nan 0.000 0.496 585 N N 0.214 118.908 118.700 -0.011 0.000 2.260 585 N HA 0.536 5.276 4.740 -0.000 0.000 0.293 585 N C -1.849 173.752 175.510 0.151 0.000 1.058 585 N CA -0.824 52.248 53.050 0.037 0.000 0.824 585 N CB 1.660 40.172 38.487 0.042 0.000 1.551 585 N HN 0.269 nan 8.380 nan 0.000 0.475 586 L N 1.082 122.395 121.223 0.150 0.000 2.441 586 L HA 0.491 4.831 4.340 -0.000 0.000 0.270 586 L C -0.288 176.545 176.870 -0.063 0.000 0.973 586 L CA -0.609 54.275 54.840 0.074 0.000 0.842 586 L CB 1.483 43.552 42.059 0.018 0.000 1.239 586 L HN 0.798 nan 8.230 nan 0.000 0.406 587 R N 3.566 123.940 120.500 -0.210 0.000 2.590 587 R HA 0.456 4.796 4.340 -0.000 0.000 0.274 587 R C 1.006 177.087 176.300 -0.364 0.000 1.061 587 R CA 1.124 56.820 56.100 -0.674 0.000 1.081 587 R CB 0.490 30.497 30.300 -0.489 0.000 0.984 587 R HN 1.006 nan 8.270 nan 0.000 0.448 588 G N 2.090 110.660 108.800 -0.383 0.000 2.155 588 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 588 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 588 G C -0.209 174.619 174.900 -0.120 0.000 0.983 588 G CA 0.456 45.441 45.100 -0.193 0.000 0.676 588 G HN 0.864 nan 8.290 nan 0.000 0.528 589 V N -3.711 116.133 119.914 -0.117 0.000 2.914 589 V HA 0.949 5.069 4.120 -0.000 0.000 0.314 589 V C -0.603 175.462 176.094 -0.048 0.000 1.084 589 V CA -1.014 61.247 62.300 -0.065 0.000 0.963 589 V CB 2.198 33.992 31.823 -0.048 0.000 1.025 589 V HN 0.276 nan 8.190 nan 0.000 0.432 590 Q N 1.851 121.632 119.800 -0.031 0.000 2.423 590 Q HA 0.602 4.942 4.340 -0.000 0.000 0.278 590 Q C -1.077 174.912 176.000 -0.018 0.000 1.097 590 Q CA -0.391 55.400 55.803 -0.020 0.000 0.809 590 Q CB 2.266 30.995 28.738 -0.014 0.000 1.391 590 Q HN 0.991 nan 8.270 nan 0.000 0.428 591 S N 0.324 116.014 115.700 -0.016 0.000 2.473 591 S HA 0.225 4.695 4.470 -0.000 0.000 0.307 591 S C 0.378 174.970 174.600 -0.013 0.000 1.094 591 S CA -0.328 57.863 58.200 -0.015 0.000 1.070 591 S CB 1.194 64.384 63.200 -0.016 0.000 1.019 591 S HN 0.594 nan 8.310 nan 0.000 0.480 592 E N 2.369 122.563 120.200 -0.011 0.000 2.418 592 E HA -0.002 4.348 4.350 -0.000 0.000 0.197 592 E C 0.380 176.974 176.600 -0.010 0.000 1.026 592 E CA 1.076 57.470 56.400 -0.009 0.000 0.862 592 E CB 0.185 29.880 29.700 -0.008 0.000 0.799 592 E HN 0.621 nan 8.360 nan 0.000 0.518 593 D N -0.411 119.982 120.400 -0.011 0.000 2.369 593 D HA 0.136 4.776 4.640 -0.000 0.000 0.211 593 D C -0.058 176.234 176.300 -0.013 0.000 1.077 593 D CA 0.135 54.129 54.000 -0.011 0.000 0.842 593 D CB 0.255 41.050 40.800 -0.010 0.000 0.947 593 D HN 0.136 nan 8.370 nan 0.000 0.509 594 A N 0.522 123.333 122.820 -0.015 0.000 2.531 594 A HA 0.340 4.660 4.320 -0.000 0.000 0.236 594 A C 1.639 179.213 177.584 -0.017 0.000 1.062 594 A CA 0.542 52.567 52.037 -0.019 0.000 0.760 594 A CB 0.442 19.429 19.000 -0.021 0.000 0.995 594 A HN 0.203 nan 8.150 nan 0.000 0.501 595 G N 0.131 108.920 108.800 -0.018 0.000 2.572 595 G HA2 0.231 4.191 3.960 -0.000 0.000 0.216 595 G HA3 0.231 4.191 3.960 -0.000 0.000 0.216 595 G C 0.567 175.457 174.900 -0.017 0.000 1.133 595 G CA 0.967 46.057 45.100 -0.016 0.000 0.791 595 G HN 0.874 nan 8.290 nan 0.000 0.538 596 Q N -0.696 119.093 119.800 -0.019 0.000 2.353 596 Q HA 0.444 4.784 4.340 -0.000 0.000 0.275 596 Q C -1.828 174.160 176.000 -0.020 0.000 1.029 596 Q CA -0.517 55.274 55.803 -0.020 0.000 0.848 596 Q CB 1.817 30.542 28.738 -0.022 0.000 1.390 596 Q HN 0.031 nan 8.270 nan 0.000 0.401 597 T N 2.164 116.708 114.554 -0.016 0.000 2.812 597 T HA 0.558 4.908 4.350 -0.000 0.000 0.282 597 T C -1.075 173.619 174.700 -0.011 0.000 0.990 597 T CA -0.392 61.702 62.100 -0.012 0.000 0.960 597 T CB 1.307 70.170 68.868 -0.008 0.000 0.948 597 T HN 0.338 nan 8.240 nan 0.000 0.438 598 V N 2.575 122.485 119.914 -0.006 0.000 2.604 598 V HA 0.734 4.854 4.120 -0.000 0.000 0.305 598 V C -0.162 175.939 176.094 0.011 0.000 1.043 598 V CA -0.710 61.587 62.300 -0.004 0.000 0.888 598 V CB 2.074 33.892 31.823 -0.007 0.000 0.995 598 V HN 0.857 nan 8.190 nan 0.000 0.429 599 S N 5.009 120.713 115.700 0.007 0.000 2.532 599 S HA 0.863 5.332 4.470 -0.000 0.000 0.299 599 S C -1.087 173.521 174.600 0.013 0.000 1.105 599 S CA -0.464 57.746 58.200 0.017 0.000 1.018 599 S CB 0.907 64.115 63.200 0.012 0.000 1.021 599 S HN 0.736 nan 8.310 nan 0.000 0.483 600 I N 3.070 123.655 120.570 0.025 0.000 2.753 600 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 600 I C -1.473 174.660 176.117 0.025 0.000 1.425 600 I CA -0.613 60.697 61.300 0.017 0.000 1.039 600 I CB 1.783 39.790 38.000 0.011 0.000 1.349 600 I HN 0.507 nan 8.210 nan 0.000 0.430 601 D N 5.069 125.479 120.400 0.016 0.000 2.423 601 D HA 0.071 4.710 4.640 -0.000 0.000 0.238 601 D C 0.918 177.223 176.300 0.009 0.000 1.142 601 D CA -0.004 54.005 54.000 0.015 0.000 0.884 601 D CB 1.273 42.078 40.800 0.009 0.000 1.199 601 D HN 0.452 nan 8.370 nan 0.000 0.438 602 R N 2.659 123.163 120.500 0.007 0.000 2.105 602 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 602 R C 1.712 177.998 176.300 -0.024 0.000 1.135 602 R CA 1.958 58.048 56.100 -0.016 0.000 0.967 602 R CB -0.737 29.550 30.300 -0.021 0.000 0.861 602 R HN 0.477 nan 8.270 nan 0.000 0.442 603 A N 0.354 123.166 122.820 -0.014 0.000 1.940 603 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 603 A C 1.642 179.218 177.584 -0.014 0.000 1.176 603 A CA 1.938 53.967 52.037 -0.014 0.000 0.631 603 A CB -0.482 18.513 19.000 -0.007 0.000 0.814 603 A HN 0.410 nan 8.150 nan 0.000 0.446 604 D N -0.787 119.606 120.400 -0.010 0.000 2.213 604 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 604 D C 1.835 178.125 176.300 -0.018 0.000 0.961 604 D CA 0.827 54.820 54.000 -0.011 0.000 0.853 604 D CB -0.212 40.584 40.800 -0.007 0.000 0.967 604 D HN 0.364 nan 8.370 nan 0.000 0.496 605 L N 1.571 122.782 121.223 -0.019 0.000 2.046 605 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 605 L C 1.508 178.360 176.870 -0.031 0.000 1.077 605 L CA 1.615 56.441 54.840 -0.024 0.000 0.747 605 L CB -0.710 41.336 42.059 -0.023 0.000 0.896 605 L HN -0.138 nan 8.230 nan 0.000 0.432 606 N N 0.219 118.898 118.700 -0.035 0.000 2.069 606 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 606 N C 1.914 177.411 175.510 -0.022 0.000 1.031 606 N CA 1.633 54.663 53.050 -0.034 0.000 0.852 606 N CB -0.354 38.111 38.487 -0.037 0.000 1.018 606 N HN 0.409 nan 8.380 nan 0.000 0.423 607 R N 0.567 121.056 120.500 -0.018 0.000 2.105 607 R HA -0.042 4.298 4.340 -0.000 0.000 0.239 607 R C 2.307 178.598 176.300 -0.015 0.000 1.135 607 R CA 0.683 56.776 56.100 -0.013 0.000 0.967 607 R CB -0.523 29.771 30.300 -0.010 0.000 0.861 607 R HN 0.257 nan 8.270 nan 0.000 0.442 608 L N 0.628 121.837 121.223 -0.024 0.000 2.017 608 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 608 L C 2.338 179.193 176.870 -0.025 0.000 1.073 608 L CA 1.305 56.122 54.840 -0.038 0.000 0.745 608 L CB -0.276 41.748 42.059 -0.060 0.000 0.894 608 L HN 0.206 nan 8.230 nan 0.000 0.432 609 L N -0.801 120.417 121.223 -0.009 0.000 2.201 609 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 609 L C 2.054 178.938 176.870 0.023 0.000 1.105 609 L CA 0.868 55.721 54.840 0.021 0.000 0.775 609 L CB -0.249 41.825 42.059 0.025 0.000 0.913 609 L HN 0.282 nan 8.230 nan 0.000 0.440 610 L N -0.472 120.755 121.223 0.007 0.000 2.591 610 L HA 0.047 4.387 4.340 -0.000 0.000 0.228 610 L C 0.560 177.435 176.870 0.010 0.000 1.133 610 L CA -0.114 54.730 54.840 0.007 0.000 0.880 610 L CB -0.046 42.012 42.059 -0.000 0.000 1.033 610 L HN 0.158 nan 8.230 nan 0.000 0.450 611 K N -0.119 120.286 120.400 0.008 0.000 3.160 611 K HA -0.287 4.033 4.320 -0.000 0.000 0.280 611 K C 1.001 177.603 176.600 0.005 0.000 1.154 611 K CA 1.029 57.321 56.287 0.008 0.000 0.822 611 K CB -1.867 30.644 32.500 0.019 0.000 1.239 611 K HN 0.524 nan 8.250 nan 0.000 0.489 612 E N 0.458 120.659 120.200 0.001 0.000 2.230 612 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 612 E C 0.178 176.779 176.600 0.002 0.000 0.987 612 E CA 0.651 57.052 56.400 0.002 0.000 0.841 612 E CB 0.517 30.218 29.700 0.001 0.000 0.783 612 E HN 0.151 nan 8.360 nan 0.000 0.481 613 V N 0.586 120.499 119.914 -0.003 0.000 2.971 613 V HA 0.276 4.396 4.120 -0.000 0.000 0.309 613 V C -0.879 175.209 176.094 -0.011 0.000 1.130 613 V CA -0.519 61.780 62.300 -0.002 0.000 0.964 613 V CB 2.153 33.976 31.823 -0.001 0.000 1.029 613 V HN 0.280 nan 8.190 nan 0.000 0.427 614 S N 4.545 120.243 115.700 -0.004 0.000 2.610 614 S HA 0.657 5.127 4.470 -0.000 0.000 0.273 614 S C 1.189 175.772 174.600 -0.029 0.000 1.274 614 S CA 0.152 58.343 58.200 -0.015 0.000 1.023 614 S CB 1.683 64.887 63.200 0.006 0.000 0.962 614 S HN 1.710 nan 8.310 nan 0.000 0.523 615 A N 2.293 125.074 122.820 -0.065 0.000 1.933 615 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 615 A C 2.176 179.720 177.584 -0.066 0.000 1.175 615 A CA 1.531 53.517 52.037 -0.085 0.000 0.628 615 A CB -1.247 17.671 19.000 -0.137 0.000 0.814 615 A HN 1.112 nan 8.150 nan 0.000 0.444 616 V N 0.332 120.226 119.914 -0.034 0.000 2.287 616 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 616 V C 2.579 178.737 176.094 0.107 0.000 1.053 616 V CA 2.767 65.069 62.300 0.003 0.000 1.027 616 V CB -0.649 31.227 31.823 0.088 0.000 0.646 616 V HN 0.721 nan 8.190 nan 0.000 0.447 617 R N -0.617 119.956 120.500 0.121 0.000 2.073 617 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 617 R C 2.302 178.664 176.300 0.103 0.000 1.134 617 R CA 2.209 58.397 56.100 0.147 0.000 0.952 617 R CB -0.410 29.938 30.300 0.079 0.000 0.850 617 R HN 0.569 nan 8.270 nan 0.000 0.433 618 L N 0.400 121.642 121.223 0.031 0.000 2.083 618 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 618 L C 2.442 179.299 176.870 -0.021 0.000 1.083 618 L CA 0.996 55.838 54.840 0.004 0.000 0.752 618 L CB -0.315 41.731 42.059 -0.022 0.000 0.899 618 L HN 0.117 nan 8.230 nan 0.000 0.433 619 V N -0.895 118.966 119.914 -0.088 0.000 2.358 619 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 619 V C 2.195 178.187 176.094 -0.171 0.000 1.047 619 V CA 1.677 63.864 62.300 -0.187 0.000 1.035 619 V CB -0.625 30.999 31.823 -0.332 0.000 0.658 619 V HN 0.212 nan 8.190 nan 0.000 0.452 620 F N 0.615 120.558 119.950 -0.011 0.000 2.293 620 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 620 F C 2.318 178.114 175.800 -0.007 0.000 1.086 620 F CA 1.106 59.101 58.000 -0.008 0.000 1.375 620 F CB -0.442 38.553 39.000 -0.008 0.000 1.045 620 F HN 0.229 nan 8.300 nan 0.000 0.516 621 E N -0.575 119.720 120.200 0.158 0.000 2.482 621 E HA 0.106 4.456 4.350 -0.000 0.000 0.196 621 E C 1.702 178.333 176.600 0.052 0.000 1.047 621 E CA 0.469 56.922 56.400 0.088 0.000 0.869 621 E CB -0.244 29.493 29.700 0.061 0.000 0.836 621 E HN 0.392 nan 8.360 nan 0.000 0.520 622 G N 1.866 110.688 108.800 0.036 0.000 2.160 622 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.251 622 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.251 622 G C 0.716 175.618 174.900 0.003 0.000 1.008 622 G CA 0.662 45.769 45.100 0.013 0.000 0.724 622 G HN 0.261 nan 8.290 nan 0.000 0.514 623 K N -1.320 119.081 120.400 0.001 0.000 2.361 623 K HA 0.369 4.689 4.320 -0.000 0.000 0.194 623 K C 0.371 176.963 176.600 -0.013 0.000 1.032 623 K CA 0.114 56.400 56.287 -0.002 0.000 1.048 623 K CB 0.612 33.114 32.500 0.003 0.000 0.842 623 K HN 0.335 nan 8.250 nan 0.000 0.526 624 L N 1.323 122.529 121.223 -0.029 0.000 2.406 624 L HA 0.363 4.703 4.340 -0.000 0.000 0.270 624 L C -1.539 175.302 176.870 -0.049 0.000 0.982 624 L CA -0.419 54.397 54.840 -0.039 0.000 0.843 624 L CB 1.265 43.291 42.059 -0.056 0.000 1.225 624 L HN -0.203 nan 8.230 nan 0.000 0.412 625 K N 2.668 123.048 120.400 -0.034 0.000 2.259 625 K HA 0.823 5.142 4.320 -0.000 0.000 0.249 625 K C -1.172 175.409 176.600 -0.032 0.000 0.942 625 K CA -0.749 55.518 56.287 -0.034 0.000 0.816 625 K CB 2.182 34.671 32.500 -0.019 0.000 1.155 625 K HN 0.575 nan 8.250 nan 0.000 0.428 626 S N 0.704 116.383 115.700 -0.035 0.000 2.533 626 S HA 0.523 4.993 4.470 -0.000 0.000 0.271 626 S C -1.500 173.084 174.600 -0.026 0.000 1.143 626 S CA -0.639 57.543 58.200 -0.030 0.000 0.891 626 S CB 1.246 64.422 63.200 -0.039 0.000 1.105 626 S HN 0.635 nan 8.310 nan 0.000 0.468 627 S N 2.482 118.170 115.700 -0.020 0.000 2.634 627 S HA 1.002 5.471 4.470 -0.000 0.000 0.296 627 S C 0.633 175.223 174.600 -0.016 0.000 1.104 627 S CA -0.050 58.140 58.200 -0.017 0.000 0.920 627 S CB 0.826 64.019 63.200 -0.012 0.000 1.111 627 S HN 2.279 nan 8.310 nan 0.000 0.493 628 G N 1.721 110.512 108.800 -0.014 0.000 2.542 628 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 628 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 628 G C -0.486 174.405 174.900 -0.015 0.000 1.286 628 G CA -0.135 44.957 45.100 -0.014 0.000 0.904 628 G HN 1.138 nan 8.290 nan 0.000 0.577 629 N N 2.589 121.280 118.700 -0.015 0.000 2.405 629 N HA 0.302 5.042 4.740 -0.000 0.000 0.260 629 N C -0.454 175.045 175.510 -0.018 0.000 1.152 629 N CA -1.346 51.696 53.050 -0.015 0.000 0.948 629 N CB 1.246 39.725 38.487 -0.013 0.000 1.111 629 N HN 0.264 nan 8.380 nan 0.000 0.485 630 P HA -0.082 nan 4.420 nan 0.000 0.230 630 P C 1.108 178.393 177.300 -0.025 0.000 1.158 630 P CA 0.810 63.893 63.100 -0.029 0.000 0.769 630 P CB 0.456 32.135 31.700 -0.035 0.000 0.807 631 L N -1.408 119.805 121.223 -0.016 0.000 2.446 631 L HA 0.044 4.384 4.340 -0.000 0.000 0.219 631 L C 2.592 179.461 176.870 -0.002 0.000 1.116 631 L CA 0.305 55.140 54.840 -0.008 0.000 0.844 631 L CB -0.635 41.421 42.059 -0.004 0.000 0.970 631 L HN -0.105 nan 8.230 nan 0.000 0.457 632 L N -0.426 120.793 121.223 -0.007 0.000 2.012 632 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 632 L C 2.565 179.437 176.870 0.003 0.000 1.073 632 L CA 0.974 55.811 54.840 -0.005 0.000 0.748 632 L CB -0.594 41.457 42.059 -0.014 0.000 0.891 632 L HN 0.249 nan 8.230 nan 0.000 0.431 633 L N 0.544 121.767 121.223 -0.000 0.000 2.083 633 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 633 L C 2.350 179.254 176.870 0.056 0.000 1.083 633 L CA 2.019 56.867 54.840 0.013 0.000 0.752 633 L CB -1.131 40.924 42.059 -0.006 0.000 0.899 633 L HN 0.155 nan 8.230 nan 0.000 0.433 634 G N -1.595 107.231 108.800 0.044 0.000 2.404 634 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 634 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 634 G C 1.433 176.408 174.900 0.125 0.000 1.174 634 G CA 0.660 45.812 45.100 0.086 0.000 0.780 634 G HN 0.511 nan 8.290 nan 0.000 0.537 635 Q N -0.581 119.257 119.800 0.064 0.000 2.061 635 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 635 Q C 2.496 178.518 176.000 0.038 0.000 0.984 635 Q CA 1.273 57.101 55.803 0.042 0.000 0.846 635 Q CB -0.318 28.430 28.738 0.016 0.000 0.902 635 Q HN 0.417 nan 8.270 nan 0.000 0.421 636 L N 0.257 121.506 121.223 0.043 0.000 2.017 636 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 636 L C 2.092 178.994 176.870 0.053 0.000 1.073 636 L CA 1.689 56.545 54.840 0.028 0.000 0.745 636 L CB -0.770 41.300 42.059 0.019 0.000 0.894 636 L HN 0.194 nan 8.230 nan 0.000 0.432 637 F N 0.625 120.558 119.950 -0.029 0.000 2.154 637 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 637 F C 2.116 177.897 175.800 -0.031 0.000 1.087 637 F CA 1.725 59.710 58.000 -0.025 0.000 1.274 637 F CB -0.900 38.091 39.000 -0.016 0.000 1.009 637 F HN 0.151 nan 8.300 nan 0.000 0.485 638 G N 0.001 108.770 108.800 -0.052 0.000 2.535 638 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 638 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 638 G C 1.414 176.205 174.900 -0.183 0.000 1.122 638 G CA 0.791 45.806 45.100 -0.143 0.000 0.769 638 G HN 0.458 nan 8.290 nan 0.000 0.549 639 M N -0.215 119.288 119.600 -0.162 0.000 2.502 639 M HA 0.273 4.753 4.480 -0.000 0.000 0.243 639 M C -0.274 175.914 176.300 -0.186 0.000 1.130 639 M CA -0.158 55.060 55.300 -0.136 0.000 1.055 639 M CB 0.395 32.945 32.600 -0.085 0.000 1.457 639 M HN -0.057 nan 8.290 nan 0.000 0.488 640 L N 1.175 122.226 121.223 -0.288 0.000 2.361 640 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 640 L C 0.924 177.593 176.870 -0.335 0.000 1.113 640 L CA 0.062 54.710 54.840 -0.320 0.000 0.849 640 L CB 0.116 41.941 42.059 -0.389 0.000 1.155 640 L HN 0.024 nan 8.230 nan 0.000 0.452 641 G N 2.573 111.186 108.800 -0.311 0.000 2.537 641 G HA2 0.555 4.515 3.960 -0.000 0.000 0.297 641 G HA3 0.555 4.515 3.960 -0.000 0.000 0.297 641 G C -0.808 173.808 174.900 -0.473 0.000 1.310 641 G CA -0.429 44.476 45.100 -0.324 0.000 1.027 641 G HN 0.656 nan 8.290 nan 0.000 0.505 642 D N -1.757 118.372 120.400 -0.451 0.000 2.523 642 D HA 0.543 5.183 4.640 -0.000 0.000 0.236 642 D C -1.539 174.485 176.300 -0.461 0.000 1.094 642 D CA -0.546 53.166 54.000 -0.480 0.000 0.942 642 D CB 1.839 42.526 40.800 -0.188 0.000 1.447 642 D HN 0.135 nan 8.370 nan 0.000 0.479 643 F N -0.031 119.958 119.950 0.064 0.000 2.495 643 F HA 0.252 4.779 4.527 -0.000 0.000 0.327 643 F C 0.350 176.229 175.800 0.131 0.000 1.103 643 F CA -1.192 56.862 58.000 0.090 0.000 0.949 643 F CB 1.501 40.566 39.000 0.109 0.000 1.142 643 F HN 0.173 nan 8.300 nan 0.000 0.457 644 D N 1.800 122.404 120.400 0.340 0.000 2.383 644 D HA 0.043 4.683 4.640 -0.000 0.000 0.252 644 D C 0.725 177.200 176.300 0.291 0.000 1.166 644 D CA 0.189 54.359 54.000 0.285 0.000 0.879 644 D CB 0.533 41.485 40.800 0.253 0.000 1.164 644 D HN 0.414 nan 8.370 nan 0.000 0.462 645 F N 3.095 123.080 119.950 0.057 0.000 2.128 645 F HA 0.109 4.636 4.527 -0.000 0.000 0.295 645 F C 0.656 176.231 175.800 -0.374 0.000 1.100 645 F CA 0.757 58.634 58.000 -0.205 0.000 1.260 645 F CB 0.016 38.757 39.000 -0.431 0.000 1.009 645 F HN 0.478 nan 8.300 nan 0.000 0.476 646 W N 2.447 123.736 121.300 -0.020 0.000 2.136 646 W HA 0.158 4.818 4.660 -0.000 0.000 0.436 646 W C -0.314 176.110 176.519 -0.158 0.000 0.624 646 W CA -1.041 56.200 57.345 -0.172 0.000 2.276 646 W CB -1.143 28.354 29.460 0.062 0.000 1.277 646 W HN -0.093 nan 8.180 nan 0.000 0.595 647 F N -0.650 119.304 119.950 0.007 0.000 2.496 647 F HA 0.250 4.777 4.527 -0.000 0.000 0.344 647 F C 0.737 176.545 175.800 0.013 0.000 1.155 647 F CA -1.395 56.608 58.000 0.004 0.000 1.302 647 F CB 0.321 39.283 39.000 -0.064 0.000 1.159 647 F HN -0.085 nan 8.300 nan 0.000 0.595 648 D N 2.296 122.877 120.400 0.303 0.000 2.414 648 D HA 0.173 4.813 4.640 -0.000 0.000 0.242 648 D C 0.903 177.341 176.300 0.228 0.000 1.129 648 D CA 0.314 54.425 54.000 0.185 0.000 0.885 648 D CB 1.839 42.688 40.800 0.082 0.000 1.198 648 D HN 0.625 nan 8.370 nan 0.000 0.437 649 I N 0.454 121.103 120.570 0.132 0.000 3.673 649 I HA -0.114 4.056 4.170 -0.000 0.000 0.281 649 I C 1.925 178.148 176.117 0.177 0.000 1.182 649 I CA 0.144 61.503 61.300 0.098 0.000 1.391 649 I CB 0.337 38.228 38.000 -0.182 0.000 1.383 649 I HN 0.225 nan 8.210 nan 0.000 0.456 650 V N -1.266 118.760 119.914 0.186 0.000 3.649 650 V HA 0.223 4.343 4.120 -0.000 0.000 0.275 650 V C 0.666 176.839 176.094 0.131 0.000 1.281 650 V CA 0.379 62.828 62.300 0.249 0.000 1.143 650 V CB -1.326 30.645 31.823 0.247 0.000 0.892 650 V HN 0.461 nan 8.190 nan 0.000 0.441 651 T N -3.043 111.423 114.554 -0.147 0.000 2.883 651 T HA 0.698 5.048 4.350 -0.000 0.000 0.296 651 T C -3.302 170.922 174.700 -0.794 0.000 1.117 651 T CA -2.044 59.686 62.100 -0.617 0.000 1.006 651 T CB 2.070 70.758 68.868 -0.298 0.000 1.191 651 T HN 0.058 nan 8.240 nan 0.000 0.508 652 P HA 0.411 nan 4.420 nan 0.000 0.272 652 P C -0.413 176.761 177.300 -0.210 0.000 1.240 652 P CA -0.432 62.380 63.100 -0.480 0.000 0.791 652 P CB -0.016 31.477 31.700 -0.345 0.000 0.978 653 A N 1.882 124.649 122.820 -0.089 0.000 2.561 653 A HA 0.326 4.646 4.320 -0.000 0.000 0.251 653 A C 0.749 178.313 177.584 -0.033 0.000 1.062 653 A CA 0.170 52.189 52.037 -0.030 0.000 0.761 653 A CB -1.100 17.896 19.000 -0.005 0.000 0.986 653 A HN 0.624 nan 8.150 nan 0.000 0.510 654 A N 2.328 125.140 122.820 -0.014 0.000 2.563 654 A HA 0.497 4.817 4.320 -0.000 0.000 0.256 654 A C 0.770 178.352 177.584 -0.005 0.000 1.056 654 A CA 1.359 53.389 52.037 -0.011 0.000 0.775 654 A CB -0.910 18.096 19.000 0.011 0.000 0.973 654 A HN 2.282 nan 8.150 nan 0.000 0.516 655 K N 0.000 120.392 120.400 -0.013 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