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 1n2c_1_C DATA FIRST_RESID 4 DATA SEQUENCE MSREEVESLI QEVLEVYPEK ARKDRNKHLA VNDPAVTQSK KCIISNKKSQ DATA SEQUENCE PGLMTIRGCA YAGSKGVVWG PIKDMIHISH GPVGCGQYSR AGRRNYYIGT DATA SEQUENCE TGVNAFVTMN FTSDFQEKDI VFGGDKKLAK LIDEVETLFP LNKGISVQSE DATA SEQUENCE CPIGLIGDDI ESVSKVKGAE LSKTIVPVRC EGFRGVSQSL GHHIANDAVR DATA SEQUENCE DWVLGKRDED TTFASTPYDV AIIGDYNIGG DAWSSRILLE EMGLRCVAQW DATA SEQUENCE SGDGSISEIE LTPKVKLNLV HCYRSMNYIS RHMEEKYGIP WMEYNFFGPT DATA SEQUENCE KTIESLRAIA AKFDESIQKK CEEVIAKYKP EWEAVVAKYR PRLEGKRVML DATA SEQUENCE YIGGLRPRHV IGAYEDLGME VVGTGYEFAH NDDYDRTMKE MGDSTLLYDD DATA SEQUENCE VTGYEFEEFV KRIKPDLIGS GIKEKFIFQK MGIPFREMHS WDYSGPYHGF DATA SEQUENCE DGFAIFARDM DMTLNNPCWK KLQAPWEA 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.287 176.300 -0.022 0.000 1.140 4 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 4 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 5 S N 0.014 115.702 115.700 -0.020 0.000 3.098 5 S HA -0.036 4.433 4.470 -0.000 0.000 0.854 5 S C 0.470 175.058 174.600 -0.020 0.000 1.004 5 S CA 1.616 59.806 58.200 -0.017 0.000 1.292 5 S CB -1.003 62.189 63.200 -0.013 0.000 0.932 5 S HN 2.835 nan 8.310 nan 0.000 0.283 6 R N 2.763 123.251 120.500 -0.019 0.000 2.211 6 R HA -0.174 4.166 4.340 -0.000 0.000 0.240 6 R C 1.755 178.045 176.300 -0.017 0.000 1.144 6 R CA 1.690 57.778 56.100 -0.020 0.000 0.992 6 R CB -0.596 29.694 30.300 -0.017 0.000 0.869 6 R HN 0.850 nan 8.270 nan 0.000 0.462 7 E N 2.006 122.198 120.200 -0.012 0.000 2.047 7 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 7 E C 1.663 178.257 176.600 -0.008 0.000 0.987 7 E CA 1.305 57.700 56.400 -0.008 0.000 0.799 7 E CB -0.367 29.330 29.700 -0.005 0.000 0.752 7 E HN 0.613 nan 8.360 nan 0.000 0.449 8 E N 0.938 121.130 120.200 -0.012 0.000 2.106 8 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 8 E C 2.321 178.909 176.600 -0.020 0.000 0.984 8 E CA 1.133 57.525 56.400 -0.013 0.000 0.806 8 E CB 0.028 29.719 29.700 -0.014 0.000 0.750 8 E HN 0.057 nan 8.360 nan 0.000 0.458 9 V N 1.467 121.362 119.914 -0.032 0.000 2.270 9 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 9 V C 2.024 178.091 176.094 -0.046 0.000 1.043 9 V CA 1.866 64.132 62.300 -0.056 0.000 1.014 9 V CB -0.503 31.280 31.823 -0.067 0.000 0.645 9 V HN 0.209 nan 8.190 nan 0.000 0.447 10 E N 0.031 120.216 120.200 -0.024 0.000 2.160 10 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 10 E C 2.400 179.007 176.600 0.012 0.000 0.991 10 E CA 1.509 57.906 56.400 -0.004 0.000 0.810 10 E CB -0.233 29.468 29.700 0.002 0.000 0.742 10 E HN 0.520 nan 8.360 nan 0.000 0.466 11 S N 0.472 116.177 115.700 0.008 0.000 2.355 11 S HA -0.141 4.329 4.470 -0.000 0.000 0.222 11 S C 1.916 176.535 174.600 0.031 0.000 1.031 11 S CA 0.747 58.958 58.200 0.018 0.000 0.993 11 S CB -0.152 63.055 63.200 0.012 0.000 0.859 11 S HN 0.186 nan 8.310 nan 0.000 0.453 12 L N 2.084 123.320 121.223 0.022 0.000 1.970 12 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 12 L C 2.097 179.038 176.870 0.117 0.000 1.071 12 L CA 1.889 56.759 54.840 0.049 0.000 0.751 12 L CB -0.906 41.152 42.059 -0.002 0.000 0.889 12 L HN 0.434 nan 8.230 nan 0.000 0.432 13 I N -0.908 119.710 120.570 0.080 0.000 2.118 13 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 13 I C 2.512 178.728 176.117 0.165 0.000 1.070 13 I CA 1.440 62.844 61.300 0.173 0.000 1.327 13 I CB -0.422 37.633 38.000 0.091 0.000 1.034 13 I HN 0.365 nan 8.210 nan 0.000 0.405 14 Q N 0.604 120.464 119.800 0.100 0.000 2.170 14 Q HA -0.192 4.148 4.340 -0.000 0.000 0.203 14 Q C 1.980 178.021 176.000 0.068 0.000 0.976 14 Q CA 1.466 57.317 55.803 0.081 0.000 0.858 14 Q CB -0.164 28.608 28.738 0.056 0.000 0.907 14 Q HN 0.513 nan 8.270 nan 0.000 0.433 15 E N -1.081 119.160 120.200 0.070 0.000 2.047 15 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 15 E C 1.937 178.566 176.600 0.048 0.000 0.987 15 E CA 1.299 57.730 56.400 0.053 0.000 0.799 15 E CB 0.030 29.762 29.700 0.052 0.000 0.752 15 E HN 0.123 nan 8.360 nan 0.000 0.449 16 V N 1.732 121.690 119.914 0.073 0.000 2.287 16 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 16 V C 2.351 178.392 176.094 -0.089 0.000 1.053 16 V CA 1.510 63.829 62.300 0.032 0.000 1.027 16 V CB -0.532 31.302 31.823 0.019 0.000 0.646 16 V HN 0.270 nan 8.190 nan 0.000 0.447 17 L N -0.168 121.029 121.223 -0.044 0.000 2.261 17 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 17 L C 2.513 179.316 176.870 -0.112 0.000 1.114 17 L CA 1.361 56.156 54.840 -0.076 0.000 0.777 17 L CB -0.697 41.433 42.059 0.119 0.000 0.910 17 L HN 0.440 nan 8.230 nan 0.000 0.440 18 E N -0.239 119.919 120.200 -0.071 0.000 2.160 18 E HA -0.220 4.129 4.350 -0.000 0.000 0.195 18 E C 2.180 178.730 176.600 -0.083 0.000 0.991 18 E CA 1.707 58.081 56.400 -0.043 0.000 0.810 18 E CB -0.134 29.558 29.700 -0.014 0.000 0.742 18 E HN 0.577 nan 8.360 nan 0.000 0.466 19 V N -1.213 118.579 119.914 -0.204 0.000 2.809 19 V HA -0.107 4.013 4.120 -0.000 0.000 0.256 19 V C 0.750 176.788 176.094 -0.094 0.000 1.080 19 V CA 0.612 62.777 62.300 -0.225 0.000 1.102 19 V CB -0.770 30.776 31.823 -0.462 0.000 0.705 19 V HN -0.008 nan 8.190 nan 0.000 0.475 20 Y N 1.927 122.193 120.300 -0.056 0.000 2.425 20 Y HA 0.506 5.056 4.550 -0.000 0.000 0.331 20 Y C -2.007 173.878 175.900 -0.025 0.000 1.157 20 Y CA -3.373 54.701 58.100 -0.043 0.000 1.372 20 Y CB -0.668 37.788 38.460 -0.007 0.000 1.253 20 Y HN 0.188 nan 8.280 nan 0.000 0.536 21 P HA 0.029 nan 4.420 nan 0.000 0.271 21 P C 0.775 178.117 177.300 0.070 0.000 1.216 21 P CA -0.064 63.076 63.100 0.068 0.000 0.776 21 P CB 0.861 32.579 31.700 0.031 0.000 0.881 22 E N 4.055 124.288 120.200 0.055 0.000 2.196 22 E HA -0.336 4.014 4.350 -0.000 0.000 0.222 22 E C 1.642 178.268 176.600 0.043 0.000 1.072 22 E CA 2.285 58.715 56.400 0.051 0.000 0.902 22 E CB -0.444 29.277 29.700 0.034 0.000 0.780 22 E HN 0.429 nan 8.360 nan 0.000 0.467 23 K N -0.770 119.644 120.400 0.023 0.000 2.001 23 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 23 K C 2.098 178.695 176.600 -0.006 0.000 1.050 23 K CA 1.815 58.106 56.287 0.008 0.000 0.934 23 K CB -0.456 32.041 32.500 -0.005 0.000 0.718 23 K HN 0.211 nan 8.250 nan 0.000 0.443 24 A N 1.400 124.198 122.820 -0.036 0.000 1.930 24 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 24 A C 2.176 179.716 177.584 -0.074 0.000 1.175 24 A CA 1.402 53.361 52.037 -0.131 0.000 0.627 24 A CB -0.581 18.257 19.000 -0.269 0.000 0.815 24 A HN 0.399 nan 8.150 nan 0.000 0.443 25 R N 0.056 120.612 120.500 0.094 0.000 2.073 25 R HA -0.182 4.157 4.340 -0.000 0.000 0.234 25 R C 2.297 178.687 176.300 0.150 0.000 1.134 25 R CA 1.978 58.215 56.100 0.228 0.000 0.952 25 R CB -0.320 30.100 30.300 0.199 0.000 0.850 25 R HN 0.567 nan 8.270 nan 0.000 0.433 26 K N 0.390 120.846 120.400 0.092 0.000 2.032 26 K HA -0.237 4.082 4.320 -0.000 0.000 0.209 26 K C 1.715 178.368 176.600 0.088 0.000 1.048 26 K CA 2.336 58.669 56.287 0.077 0.000 0.927 26 K CB -0.320 32.211 32.500 0.051 0.000 0.712 26 K HN 0.206 nan 8.250 nan 0.000 0.441 27 D N -0.268 120.176 120.400 0.074 0.000 2.084 27 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 27 D C 1.996 178.422 176.300 0.210 0.000 0.990 27 D CA 1.099 55.166 54.000 0.111 0.000 0.826 27 D CB 0.162 40.987 40.800 0.041 0.000 0.971 27 D HN 0.064 nan 8.370 nan 0.000 0.453 28 R N 0.628 121.205 120.500 0.128 0.000 2.117 28 R HA -0.142 4.198 4.340 -0.000 0.000 0.243 28 R C 2.056 178.526 176.300 0.284 0.000 1.143 28 R CA 0.763 56.979 56.100 0.194 0.000 0.968 28 R CB -1.516 28.890 30.300 0.177 0.000 0.863 28 R HN 0.389 nan 8.270 nan 0.000 0.444 29 N N 1.617 120.452 118.700 0.226 0.000 2.149 29 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 29 N C 1.016 176.606 175.510 0.133 0.000 1.019 29 N CA 1.307 54.464 53.050 0.178 0.000 0.857 29 N CB 0.036 38.601 38.487 0.130 0.000 0.997 29 N HN 0.305 nan 8.380 nan 0.000 0.426 30 K N -0.821 119.647 120.400 0.113 0.000 2.439 30 K HA -0.027 4.292 4.320 -0.000 0.000 0.197 30 K C 0.714 177.190 176.600 -0.206 0.000 1.041 30 K CA 0.679 56.934 56.287 -0.054 0.000 0.970 30 K CB 0.022 32.447 32.500 -0.126 0.000 0.773 30 K HN 0.464 nan 8.250 nan 0.000 0.479 31 H N -0.353 118.747 119.070 0.051 0.000 2.672 31 H HA 0.221 4.776 4.556 -0.000 0.000 0.277 31 H C -0.223 175.180 175.328 0.126 0.000 1.074 31 H CA -0.046 56.035 56.048 0.055 0.000 1.173 31 H CB 0.537 30.351 29.762 0.087 0.000 1.558 31 H HN -0.008 nan 8.280 nan 0.000 0.539 32 L N 1.179 122.534 121.223 0.220 0.000 2.356 32 L HA 0.719 5.059 4.340 -0.000 0.000 0.277 32 L C -0.346 176.590 176.870 0.110 0.000 0.996 32 L CA -0.808 54.171 54.840 0.232 0.000 0.822 32 L CB 2.159 44.395 42.059 0.294 0.000 1.256 32 L HN 0.013 nan 8.230 nan 0.000 0.413 33 A N 2.635 125.499 122.820 0.074 0.000 2.594 33 A HA 0.783 5.103 4.320 -0.000 0.000 0.295 33 A C -1.286 176.300 177.584 0.003 0.000 1.071 33 A CA -0.532 51.519 52.037 0.022 0.000 0.685 33 A CB 1.914 20.911 19.000 -0.005 0.000 1.285 33 A HN 0.300 nan 8.150 nan 0.000 0.405 34 V N 3.206 123.114 119.914 -0.009 0.000 2.383 34 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 34 V C 0.771 176.856 176.094 -0.015 0.000 1.036 34 V CA -0.873 61.414 62.300 -0.021 0.000 0.889 34 V CB 1.175 32.983 31.823 -0.023 0.000 0.985 34 V HN 0.915 nan 8.190 nan 0.000 0.459 35 N N 3.763 122.453 118.700 -0.018 0.000 2.441 35 N HA 0.012 4.752 4.740 -0.000 0.000 0.251 35 N C -0.977 174.525 175.510 -0.014 0.000 1.242 35 N CA 0.254 53.297 53.050 -0.012 0.000 0.898 35 N CB 1.199 39.675 38.487 -0.019 0.000 1.100 35 N HN 0.816 nan 8.380 nan 0.000 0.443 36 D N 2.883 123.278 120.400 -0.009 0.000 2.470 36 D HA 0.430 5.070 4.640 -0.000 0.000 0.233 36 D C -2.774 173.520 176.300 -0.010 0.000 1.372 36 D CA -1.266 52.728 54.000 -0.011 0.000 0.994 36 D CB 1.553 42.347 40.800 -0.010 0.000 1.377 36 D HN 0.264 nan 8.370 nan 0.000 0.586 37 P HA 0.285 nan 4.420 nan 0.000 0.272 37 P C 0.415 177.708 177.300 -0.013 0.000 1.248 37 P CA 1.329 64.421 63.100 -0.014 0.000 0.799 37 P CB 0.680 32.371 31.700 -0.016 0.000 0.997 38 A N -1.724 121.087 122.820 -0.015 0.000 2.624 38 A HA -0.229 4.091 4.320 -0.000 0.000 0.235 38 A C 0.670 178.246 177.584 -0.014 0.000 0.588 38 A CA 1.514 53.542 52.037 -0.015 0.000 1.172 38 A CB -2.744 16.248 19.000 -0.014 0.000 1.370 38 A HN 0.380 nan 8.150 nan 0.000 0.695 39 V N 2.361 122.268 119.914 -0.011 0.000 2.493 39 V HA 0.375 4.494 4.120 -0.000 0.000 0.292 39 V C 1.070 177.159 176.094 -0.008 0.000 1.016 39 V CA 1.315 63.610 62.300 -0.009 0.000 1.097 39 V CB 0.562 32.381 31.823 -0.007 0.000 0.947 39 V HN 1.165 nan 8.190 nan 0.000 0.479 40 T N 2.481 117.029 114.554 -0.010 0.000 3.401 40 T HA 0.709 5.058 4.350 -0.000 0.000 0.341 40 T C -0.529 174.168 174.700 -0.007 0.000 1.674 40 T CA -0.538 61.555 62.100 -0.010 0.000 1.600 40 T CB 0.961 69.818 68.868 -0.019 0.000 0.974 40 T HN 0.692 nan 8.240 nan 0.000 0.672 41 Q N 0.599 120.398 119.800 -0.000 0.000 2.872 41 Q HA 0.342 4.682 4.340 -0.000 0.000 0.330 41 Q C 0.353 176.347 176.000 -0.010 0.000 0.751 41 Q CA 0.122 55.924 55.803 -0.002 0.000 0.990 41 Q CB -0.366 28.367 28.738 -0.008 0.000 1.324 41 Q HN 0.351 nan 8.270 nan 0.000 0.483 42 S N -0.871 114.813 115.700 -0.027 0.000 2.517 42 S HA 0.135 4.605 4.470 -0.000 0.000 0.214 42 S C 1.013 175.581 174.600 -0.053 0.000 0.991 42 S CA 0.451 58.616 58.200 -0.059 0.000 0.906 42 S CB 0.076 63.234 63.200 -0.069 0.000 0.789 42 S HN 0.506 nan 8.310 nan 0.000 0.513 43 K N 1.570 121.950 120.400 -0.033 0.000 2.097 43 K HA -0.144 4.176 4.320 -0.000 0.000 0.214 43 K C 1.043 177.626 176.600 -0.029 0.000 1.052 43 K CA 1.682 57.953 56.287 -0.027 0.000 0.932 43 K CB -0.282 32.207 32.500 -0.018 0.000 0.716 43 K HN 0.165 nan 8.250 nan 0.000 0.455 44 K N 2.102 122.485 120.400 -0.028 0.000 2.081 44 K HA -0.010 4.310 4.320 -0.000 0.000 0.230 44 K C -0.604 175.971 176.600 -0.041 0.000 1.199 44 K CA -0.316 55.955 56.287 -0.025 0.000 1.130 44 K CB -1.420 31.070 32.500 -0.015 0.000 1.386 44 K HN 0.440 nan 8.250 nan 0.000 0.280 45 C N 1.750 121.025 119.300 -0.042 0.000 3.078 45 C HA -0.170 4.290 4.460 -0.000 0.000 0.226 45 C C 0.263 175.198 174.990 -0.091 0.000 1.483 45 C CA -0.493 58.494 59.018 -0.053 0.000 2.038 45 C CB -2.672 25.054 27.740 -0.023 0.000 1.373 45 C HN 0.674 nan 8.230 nan 0.000 0.461 46 I N 0.901 121.387 120.570 -0.141 0.000 2.540 46 I HA 0.705 4.874 4.170 -0.000 0.000 0.280 46 I C -0.640 175.277 176.117 -0.333 0.000 1.083 46 I CA -1.126 60.025 61.300 -0.249 0.000 1.080 46 I CB 0.843 38.687 38.000 -0.259 0.000 1.205 46 I HN 0.419 nan 8.210 nan 0.000 0.459 47 I N 7.293 127.612 120.570 -0.418 0.000 2.441 47 I HA 0.773 4.943 4.170 -0.000 0.000 0.295 47 I C -0.174 175.683 176.117 -0.434 0.000 0.994 47 I CA 0.252 61.316 61.300 -0.393 0.000 1.144 47 I CB 1.781 39.573 38.000 -0.347 0.000 1.314 47 I HN 0.660 nan 8.210 nan 0.000 0.445 48 S N 4.585 120.162 115.700 -0.206 0.000 2.811 48 S HA 0.499 4.969 4.470 -0.000 0.000 0.311 48 S C 0.044 174.696 174.600 0.086 0.000 1.152 48 S CA -0.608 57.596 58.200 0.007 0.000 0.864 48 S CB 1.073 64.308 63.200 0.059 0.000 1.226 48 S HN 0.853 nan 8.310 nan 0.000 0.541 49 N N 0.368 119.159 118.700 0.152 0.000 2.725 49 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 49 N C -0.988 174.544 175.510 0.036 0.000 1.031 49 N CA 0.615 53.692 53.050 0.044 0.000 0.720 49 N CB -0.804 37.516 38.487 -0.278 0.000 0.930 49 N HN 0.612 nan 8.380 nan 0.000 0.543 50 K N 0.556 121.027 120.400 0.119 0.000 2.400 50 K HA 0.343 4.663 4.320 -0.000 0.000 0.246 50 K C -0.438 176.204 176.600 0.069 0.000 0.995 50 K CA -0.814 55.533 56.287 0.100 0.000 0.840 50 K CB 1.271 33.872 32.500 0.167 0.000 1.293 50 K HN 0.065 nan 8.250 nan 0.000 0.445 51 K N 1.108 121.533 120.400 0.043 0.000 2.530 51 K HA 0.001 4.321 4.320 -0.000 0.000 0.280 51 K C -0.361 176.234 176.600 -0.010 0.000 1.004 51 K CA 0.381 56.681 56.287 0.021 0.000 1.071 51 K CB 0.197 32.706 32.500 0.015 0.000 0.876 51 K HN 0.379 nan 8.250 nan 0.000 0.487 52 S N 3.373 119.067 115.700 -0.009 0.000 2.548 52 S HA 0.039 4.508 4.470 -0.000 0.000 0.277 52 S C -0.012 174.555 174.600 -0.055 0.000 1.315 52 S CA -0.793 57.383 58.200 -0.039 0.000 1.050 52 S CB 0.825 64.025 63.200 0.000 0.000 0.918 52 S HN 0.347 nan 8.310 nan 0.000 0.497 53 Q N 3.802 123.543 119.800 -0.099 0.000 2.274 53 Q HA 0.144 4.484 4.340 -0.000 0.000 0.280 53 Q C -2.044 173.907 176.000 -0.082 0.000 1.047 53 Q CA -1.436 54.303 55.803 -0.106 0.000 0.907 53 Q CB -0.015 28.617 28.738 -0.177 0.000 1.171 53 Q HN 0.434 nan 8.270 nan 0.000 0.381 54 P HA 0.014 nan 4.420 nan 0.000 0.268 54 P C 0.592 177.861 177.300 -0.052 0.000 1.204 54 P CA 0.601 63.674 63.100 -0.044 0.000 0.768 54 P CB 0.738 32.417 31.700 -0.035 0.000 0.842 55 G N 2.652 111.429 108.800 -0.037 0.000 2.234 55 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 55 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 55 G C 0.716 175.595 174.900 -0.034 0.000 0.987 55 G CA 0.194 45.274 45.100 -0.034 0.000 0.625 55 G HN 0.510 nan 8.290 nan 0.000 0.532 56 L N 0.537 121.727 121.223 -0.054 0.000 2.645 56 L HA 0.389 4.729 4.340 -0.000 0.000 0.235 56 L C 1.563 178.437 176.870 0.006 0.000 1.150 56 L CA 0.552 55.366 54.840 -0.043 0.000 0.911 56 L CB -0.128 41.851 42.059 -0.133 0.000 1.077 56 L HN 0.541 nan 8.230 nan 0.000 0.438 57 M N 1.851 121.455 119.600 0.007 0.000 3.241 57 M HA -0.187 4.293 4.480 -0.000 0.000 0.169 57 M C 0.483 176.805 176.300 0.037 0.000 1.333 57 M CA 0.534 55.848 55.300 0.024 0.000 0.838 57 M CB -0.478 32.142 32.600 0.034 0.000 1.258 57 M HN 0.471 nan 8.290 nan 0.000 0.656 58 T N -0.097 114.479 114.554 0.036 0.000 2.788 58 T HA 0.590 4.940 4.350 -0.000 0.000 0.280 58 T C 0.874 175.634 174.700 0.100 0.000 0.984 58 T CA -0.489 61.648 62.100 0.063 0.000 0.972 58 T CB 0.897 69.803 68.868 0.063 0.000 1.039 58 T HN 0.509 nan 8.240 nan 0.000 0.530 59 I N -0.164 120.505 120.570 0.165 0.000 3.941 59 I HA 0.245 4.415 4.170 -0.000 0.000 0.335 59 I C 1.382 177.622 176.117 0.205 0.000 1.402 59 I CA -0.552 60.870 61.300 0.203 0.000 1.112 59 I CB -0.213 37.982 38.000 0.325 0.000 1.043 59 I HN 0.421 nan 8.210 nan 0.000 0.395 60 R N 1.183 121.794 120.500 0.185 0.000 2.726 60 R HA 0.444 4.784 4.340 -0.000 0.000 0.272 60 R C 0.666 177.032 176.300 0.110 0.000 1.097 60 R CA 0.169 56.378 56.100 0.181 0.000 1.198 60 R CB 0.578 30.977 30.300 0.165 0.000 1.114 60 R HN 0.229 nan 8.270 nan 0.000 0.550 61 G N -0.580 108.265 108.800 0.076 0.000 3.122 61 G HA2 0.472 4.431 3.960 -0.000 0.000 0.180 61 G HA3 0.472 4.431 3.960 -0.000 0.000 0.180 61 G C -0.843 174.058 174.900 0.003 0.000 1.279 61 G CA -0.486 44.632 45.100 0.029 0.000 0.987 61 G HN 0.799 nan 8.290 nan 0.000 0.589 62 C N -2.760 116.537 119.300 -0.005 0.000 2.771 62 C HA 0.828 5.288 4.460 -0.000 0.000 0.333 62 C C 1.956 176.913 174.990 -0.055 0.000 1.267 62 C CA 0.110 59.121 59.018 -0.012 0.000 1.721 62 C CB 1.226 28.987 27.740 0.036 0.000 2.222 62 C HN 1.184 nan 8.230 nan 0.000 0.485 63 A N 0.103 122.874 122.820 -0.082 0.000 1.948 63 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 63 A C 1.877 179.418 177.584 -0.071 0.000 1.177 63 A CA 2.268 54.232 52.037 -0.121 0.000 0.636 63 A CB -1.223 17.682 19.000 -0.157 0.000 0.815 63 A HN 1.297 nan 8.150 nan 0.000 0.449 64 Y N 0.628 120.852 120.300 -0.126 0.000 2.128 64 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 64 Y C 2.597 178.454 175.900 -0.071 0.000 1.154 64 Y CA 1.586 59.631 58.100 -0.092 0.000 1.149 64 Y CB -0.536 37.881 38.460 -0.073 0.000 0.976 64 Y HN 0.311 nan 8.280 nan 0.000 0.505 65 A N 0.179 122.997 122.820 -0.002 0.000 1.933 65 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 65 A C 2.457 179.936 177.584 -0.175 0.000 1.175 65 A CA 1.666 53.650 52.037 -0.090 0.000 0.628 65 A CB -1.702 17.289 19.000 -0.014 0.000 0.814 65 A HN 0.626 nan 8.150 nan 0.000 0.444 66 G N -1.056 107.631 108.800 -0.188 0.000 2.408 66 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 66 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 66 G C 1.780 176.655 174.900 -0.042 0.000 1.150 66 G CA 1.356 46.354 45.100 -0.171 0.000 0.776 66 G HN 0.502 nan 8.290 nan 0.000 0.542 67 S N -0.234 115.407 115.700 -0.099 0.000 2.310 67 S HA 0.080 4.550 4.470 -0.000 0.000 0.205 67 S C 2.156 176.700 174.600 -0.093 0.000 1.020 67 S CA 0.765 58.964 58.200 -0.001 0.000 0.939 67 S CB -0.228 62.968 63.200 -0.006 0.000 0.919 67 S HN 0.226 nan 8.310 nan 0.000 0.501 68 K N 1.360 121.542 120.400 -0.363 0.000 2.009 68 K HA -0.099 4.221 4.320 -0.000 0.000 0.210 68 K C 2.115 178.518 176.600 -0.328 0.000 1.049 68 K CA 1.700 57.725 56.287 -0.437 0.000 0.929 68 K CB -1.078 30.891 32.500 -0.885 0.000 0.714 68 K HN 0.369 nan 8.250 nan 0.000 0.440 69 G N 0.852 109.444 108.800 -0.348 0.000 2.545 69 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 69 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 69 G C 1.586 176.372 174.900 -0.190 0.000 1.218 69 G CA 1.932 46.914 45.100 -0.198 0.000 0.787 69 G HN 0.352 nan 8.290 nan 0.000 0.571 70 V N -2.151 117.629 119.914 -0.222 0.000 2.788 70 V HA 0.152 4.272 4.120 -0.000 0.000 0.241 70 V C 2.554 178.411 176.094 -0.395 0.000 1.083 70 V CA 1.303 63.376 62.300 -0.379 0.000 1.103 70 V CB -0.150 31.400 31.823 -0.456 0.000 0.800 70 V HN 0.133 nan 8.190 nan 0.000 0.476 71 V N -0.787 118.997 119.914 -0.218 0.000 2.341 71 V HA 0.020 4.139 4.120 -0.000 0.000 0.240 71 V C 2.288 178.206 176.094 -0.295 0.000 1.035 71 V CA 2.114 64.314 62.300 -0.166 0.000 1.033 71 V CB -0.882 30.850 31.823 -0.152 0.000 0.678 71 V HN 0.598 nan 8.190 nan 0.000 0.464 72 W N 0.938 122.100 121.300 -0.230 0.000 2.443 72 W HA 0.170 4.830 4.660 -0.000 0.000 0.296 72 W C 2.563 178.650 176.519 -0.720 0.000 1.202 72 W CA 1.210 58.326 57.345 -0.381 0.000 1.312 72 W CB -0.938 28.306 29.460 -0.360 0.000 1.120 72 W HN 0.287 nan 8.180 nan 0.000 0.536 73 G N 1.190 109.759 108.800 -0.386 0.000 2.529 73 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 73 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 73 G C -0.784 173.978 174.900 -0.231 0.000 1.177 73 G CA 1.314 46.167 45.100 -0.412 0.000 0.773 73 G HN 0.127 nan 8.290 nan 0.000 0.573 74 P HA -0.059 nan 4.420 nan 0.000 0.219 74 P C 0.587 177.870 177.300 -0.029 0.000 1.144 74 P CA 0.608 63.684 63.100 -0.041 0.000 0.806 74 P CB -0.071 31.644 31.700 0.026 0.000 0.771 75 I N 0.116 120.681 120.570 -0.008 0.000 2.581 75 I HA -0.076 4.094 4.170 -0.000 0.000 0.285 75 I C 1.601 177.793 176.117 0.124 0.000 1.129 75 I CA 0.136 61.477 61.300 0.069 0.000 1.397 75 I CB 0.381 38.462 38.000 0.136 0.000 1.399 75 I HN 0.009 nan 8.210 nan 0.000 0.537 76 K N 4.691 125.091 120.400 0.000 0.000 1.965 76 K HA -0.164 4.155 4.320 -0.000 0.000 0.220 76 K C 0.758 177.324 176.600 -0.057 0.000 1.046 76 K CA 1.537 57.768 56.287 -0.094 0.000 0.974 76 K CB -0.341 32.149 32.500 -0.018 0.000 0.738 76 K HN 0.732 nan 8.250 nan 0.000 0.444 77 D N 1.063 121.460 120.400 -0.005 0.000 2.948 77 D HA 0.028 4.668 4.640 -0.000 0.000 0.241 77 D C -0.048 176.344 176.300 0.153 0.000 1.198 77 D CA 0.472 54.510 54.000 0.063 0.000 0.926 77 D CB -0.438 40.392 40.800 0.049 0.000 1.151 77 D HN 0.112 nan 8.370 nan 0.000 0.441 78 M N 0.285 119.966 119.600 0.135 0.000 2.365 78 M HA 0.364 4.844 4.480 -0.000 0.000 0.287 78 M C -1.843 174.123 176.300 -0.557 0.000 1.154 78 M CA -0.735 54.485 55.300 -0.134 0.000 0.941 78 M CB 2.229 34.796 32.600 -0.056 0.000 1.704 78 M HN -0.135 nan 8.290 nan 0.000 0.479 79 I N 4.839 124.934 120.570 -0.791 0.000 2.331 79 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 79 I C -0.592 174.942 176.117 -0.972 0.000 0.998 79 I CA -0.650 59.956 61.300 -1.157 0.000 1.267 79 I CB 0.758 37.892 38.000 -1.444 0.000 1.386 79 I HN 0.559 nan 8.210 nan 0.000 0.476 80 H N 7.440 126.257 119.070 -0.421 0.000 2.551 80 H HA 0.451 5.007 4.556 -0.000 0.000 0.321 80 H C -0.377 174.848 175.328 -0.171 0.000 1.028 80 H CA -0.610 55.294 56.048 -0.240 0.000 1.215 80 H CB 1.437 31.141 29.762 -0.097 0.000 1.414 80 H HN 0.424 nan 8.280 nan 0.000 0.480 81 I N 2.413 122.934 120.570 -0.082 0.000 2.312 81 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 81 I C 0.361 176.528 176.117 0.084 0.000 1.031 81 I CA -0.302 60.999 61.300 0.001 0.000 1.293 81 I CB 0.820 38.765 38.000 -0.092 0.000 1.403 81 I HN 0.363 nan 8.210 nan 0.000 0.484 82 S N 5.160 120.962 115.700 0.169 0.000 2.498 82 S HA 0.052 4.522 4.470 -0.000 0.000 0.314 82 S C -0.031 174.659 174.600 0.149 0.000 1.141 82 S CA -0.255 58.081 58.200 0.227 0.000 1.087 82 S CB -0.694 62.639 63.200 0.220 0.000 1.178 82 S HN 0.364 nan 8.310 nan 0.000 0.533 83 H N 2.589 121.645 119.070 -0.023 0.000 2.934 83 H HA 0.563 5.119 4.556 -0.000 0.000 0.273 83 H C 0.643 175.771 175.328 -0.333 0.000 1.121 83 H CA 0.954 56.924 56.048 -0.130 0.000 1.451 83 H CB -0.271 29.415 29.762 -0.127 0.000 1.469 83 H HN 0.822 nan 8.280 nan 0.000 0.476 84 G N 4.227 112.715 108.800 -0.520 0.000 2.350 84 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.282 84 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.282 84 G C -3.013 171.717 174.900 -0.284 0.000 1.314 84 G CA -1.106 43.509 45.100 -0.807 0.000 0.915 84 G HN 0.422 nan 8.290 nan 0.000 0.499 85 P HA 0.374 nan 4.420 nan 0.000 0.270 85 P C 0.480 177.746 177.300 -0.058 0.000 1.223 85 P CA -0.378 62.721 63.100 -0.001 0.000 0.785 85 P CB 0.977 32.669 31.700 -0.013 0.000 0.923 86 V N 1.529 121.421 119.914 -0.036 0.000 3.096 86 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 86 V C 1.120 177.101 176.094 -0.188 0.000 1.088 86 V CA 1.934 64.176 62.300 -0.097 0.000 1.129 86 V CB 0.149 31.926 31.823 -0.077 0.000 1.014 86 V HN 0.939 nan 8.190 nan 0.000 0.486 87 G N 3.102 111.691 108.800 -0.352 0.000 2.083 87 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.199 87 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.199 87 G C 1.159 175.700 174.900 -0.599 0.000 2.367 87 G CA 0.410 45.111 45.100 -0.666 0.000 1.555 87 G HN 0.939 nan 8.290 nan 0.000 0.490 88 C N 2.224 121.369 119.300 -0.259 0.000 2.363 88 C HA 0.091 4.550 4.460 -0.000 0.000 0.274 88 C C 3.216 178.166 174.990 -0.067 0.000 1.183 88 C CA 2.328 61.206 59.018 -0.233 0.000 1.771 88 C CB -1.615 25.643 27.740 -0.803 0.000 2.059 88 C HN 1.024 nan 8.230 nan 0.000 0.455 89 G N -0.657 108.094 108.800 -0.081 0.000 2.421 89 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.216 89 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.216 89 G C 1.497 176.397 174.900 -0.000 0.000 1.171 89 G CA 1.322 46.462 45.100 0.066 0.000 0.775 89 G HN 0.594 nan 8.290 nan 0.000 0.543 90 Q N -0.129 119.574 119.800 -0.160 0.000 2.002 90 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 90 Q C 2.361 178.317 176.000 -0.073 0.000 0.988 90 Q CA 1.716 57.410 55.803 -0.181 0.000 0.843 90 Q CB -0.623 27.903 28.738 -0.354 0.000 0.908 90 Q HN 0.559 nan 8.270 nan 0.000 0.420 91 Y N -0.429 119.900 120.300 0.049 0.000 2.256 91 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 91 Y C 2.641 178.587 175.900 0.077 0.000 1.155 91 Y CA 1.256 59.388 58.100 0.055 0.000 1.203 91 Y CB -0.950 37.535 38.460 0.041 0.000 0.980 91 Y HN 0.179 nan 8.280 nan 0.000 0.530 92 S N -0.295 115.537 115.700 0.221 0.000 2.501 92 S HA 0.003 4.473 4.470 -0.000 0.000 0.220 92 S C 1.032 175.716 174.600 0.141 0.000 0.997 92 S CA -0.441 57.873 58.200 0.191 0.000 0.919 92 S CB -0.212 63.141 63.200 0.255 0.000 0.778 92 S HN 0.311 nan 8.310 nan 0.000 0.523 93 R N 1.453 122.025 120.500 0.120 0.000 2.473 93 R HA 0.212 4.551 4.340 -0.000 0.000 0.315 93 R C 0.630 176.998 176.300 0.113 0.000 0.972 93 R CA 0.779 56.942 56.100 0.104 0.000 1.047 93 R CB -0.338 30.004 30.300 0.070 0.000 0.932 93 R HN 0.321 nan 8.270 nan 0.000 0.411 94 A N 3.342 126.236 122.820 0.122 0.000 2.783 94 A HA -0.218 4.102 4.320 -0.000 0.000 0.292 94 A C 1.092 178.762 177.584 0.142 0.000 1.495 94 A CA 1.147 53.268 52.037 0.140 0.000 0.787 94 A CB -1.981 17.103 19.000 0.139 0.000 1.017 94 A HN 1.027 nan 8.150 nan 0.000 0.516 95 G N -0.893 107.983 108.800 0.126 0.000 2.471 95 G HA2 0.175 4.134 3.960 -0.000 0.000 0.211 95 G HA3 0.175 4.134 3.960 -0.000 0.000 0.211 95 G C 0.734 175.697 174.900 0.106 0.000 1.194 95 G CA 0.585 45.759 45.100 0.123 0.000 0.816 95 G HN 0.785 nan 8.290 nan 0.000 0.545 96 R N 0.802 121.342 120.500 0.068 0.000 2.491 96 R HA 0.251 4.591 4.340 -0.000 0.000 0.283 96 R C 0.116 176.459 176.300 0.072 0.000 1.072 96 R CA -0.269 55.846 56.100 0.025 0.000 1.048 96 R CB 0.369 30.657 30.300 -0.021 0.000 0.983 96 R HN 0.107 nan 8.270 nan 0.000 0.450 97 R N 3.182 123.695 120.500 0.022 0.000 4.031 97 R HA 0.053 4.393 4.340 -0.000 0.000 0.269 97 R C -0.311 176.004 176.300 0.025 0.000 1.668 97 R CA -0.178 55.966 56.100 0.073 0.000 1.432 97 R CB -0.377 29.883 30.300 -0.066 0.000 1.374 97 R HN 0.575 nan 8.270 nan 0.000 0.681 98 N N 1.149 119.913 118.700 0.106 0.000 2.549 98 N HA -0.051 4.688 4.740 -0.000 0.000 0.267 98 N C -0.626 175.058 175.510 0.291 0.000 1.182 98 N CA 0.011 53.121 53.050 0.100 0.000 1.019 98 N CB 0.323 38.858 38.487 0.081 0.000 1.380 98 N HN 0.022 nan 8.380 nan 0.000 0.505 99 Y N 2.158 122.441 120.300 -0.030 0.000 2.578 99 Y HA 0.048 4.598 4.550 -0.000 0.000 0.339 99 Y C 0.527 176.489 175.900 0.103 0.000 1.231 99 Y CA -0.622 57.473 58.100 -0.009 0.000 1.461 99 Y CB 0.054 38.392 38.460 -0.204 0.000 1.323 99 Y HN 0.521 nan 8.280 nan 0.000 0.590 100 Y N -0.418 120.003 120.300 0.203 0.000 2.689 100 Y HA 0.736 5.286 4.550 -0.000 0.000 0.333 100 Y C -1.755 174.346 175.900 0.334 0.000 1.190 100 Y CA -1.930 56.343 58.100 0.288 0.000 1.063 100 Y CB 1.044 39.594 38.460 0.150 0.000 1.294 100 Y HN 0.202 nan 8.280 nan 0.000 0.466 101 I N 2.192 122.984 120.570 0.371 0.000 2.448 101 I HA 0.760 4.930 4.170 -0.000 0.000 0.281 101 I C 0.026 176.237 176.117 0.157 0.000 1.027 101 I CA -0.338 61.040 61.300 0.131 0.000 1.111 101 I CB 0.646 38.688 38.000 0.069 0.000 1.236 101 I HN 0.990 nan 8.210 nan 0.000 0.452 102 G N 3.719 112.571 108.800 0.086 0.000 2.466 102 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 102 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 102 G C -1.236 173.693 174.900 0.049 0.000 1.460 102 G CA -0.501 44.661 45.100 0.102 0.000 0.791 102 G HN 0.250 nan 8.290 nan 0.000 0.505 103 T N 1.991 116.553 114.554 0.012 0.000 2.997 103 T HA 0.417 4.766 4.350 -0.000 0.000 0.311 103 T C 0.536 175.235 174.700 -0.002 0.000 1.079 103 T CA -0.097 62.007 62.100 0.007 0.000 0.982 103 T CB 0.245 69.117 68.868 0.006 0.000 1.032 103 T HN 0.567 nan 8.240 nan 0.000 0.581 104 T N 3.129 117.720 114.554 0.061 0.000 2.822 104 T HA 0.349 4.699 4.350 -0.000 0.000 0.288 104 T C 1.581 176.335 174.700 0.091 0.000 0.991 104 T CA 0.933 63.086 62.100 0.088 0.000 1.176 104 T CB 0.160 69.134 68.868 0.177 0.000 0.951 104 T HN 0.938 nan 8.240 nan 0.000 0.526 105 G N 1.886 110.751 108.800 0.108 0.000 2.284 105 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 105 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 105 G C 0.932 176.120 174.900 0.479 0.000 1.009 105 G CA 0.563 45.872 45.100 0.348 0.000 0.625 105 G HN 1.112 nan 8.290 nan 0.000 0.501 106 V N -1.375 118.662 119.914 0.205 0.000 2.806 106 V HA 0.348 4.468 4.120 -0.000 0.000 0.239 106 V C 1.725 177.910 176.094 0.153 0.000 1.113 106 V CA 1.935 64.387 62.300 0.253 0.000 1.137 106 V CB 0.186 32.095 31.823 0.142 0.000 0.865 106 V HN 0.690 nan 8.190 nan 0.000 0.482 107 N N 1.615 120.182 118.700 -0.222 0.000 2.325 107 N HA 0.375 5.115 4.740 -0.000 0.000 0.220 107 N C 0.394 175.398 175.510 -0.844 0.000 1.176 107 N CA 0.762 53.639 53.050 -0.289 0.000 0.861 107 N CB 0.810 39.249 38.487 -0.081 0.000 1.230 107 N HN 0.735 nan 8.380 nan 0.000 0.479 108 A N -0.053 122.207 122.820 -0.933 0.000 2.340 108 A HA 0.714 5.034 4.320 -0.000 0.000 0.331 108 A C -1.096 175.817 177.584 -1.118 0.000 1.140 108 A CA -0.592 50.969 52.037 -0.793 0.000 0.801 108 A CB 0.600 19.521 19.000 -0.132 0.000 1.234 108 A HN 0.145 nan 8.150 nan 0.000 0.469 109 F N 1.305 121.190 119.950 -0.107 0.000 2.838 109 F HA 0.149 4.676 4.527 -0.000 0.000 0.329 109 F C 1.529 177.313 175.800 -0.028 0.000 1.116 109 F CA -0.142 57.837 58.000 -0.036 0.000 1.155 109 F CB -0.264 38.675 39.000 -0.101 0.000 1.106 109 F HN 0.318 nan 8.300 nan 0.000 0.538 110 V N 0.015 119.828 119.914 -0.168 0.000 2.233 110 V HA -0.382 3.737 4.120 -0.000 0.000 0.252 110 V C 2.388 178.525 176.094 0.072 0.000 1.063 110 V CA 2.846 65.054 62.300 -0.153 0.000 1.032 110 V CB -1.168 30.264 31.823 -0.653 0.000 0.645 110 V HN 0.426 nan 8.190 nan 0.000 0.446 111 T N -0.252 114.394 114.554 0.153 0.000 2.778 111 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 111 T C 0.814 175.599 174.700 0.142 0.000 1.050 111 T CA 1.203 63.424 62.100 0.200 0.000 1.137 111 T CB -0.319 68.690 68.868 0.236 0.000 0.860 111 T HN 0.311 nan 8.240 nan 0.000 0.468 112 M N 1.567 121.258 119.600 0.151 0.000 2.228 112 M HA 0.227 4.706 4.480 -0.000 0.000 0.326 112 M C 0.306 176.656 176.300 0.084 0.000 1.122 112 M CA -0.246 55.086 55.300 0.053 0.000 1.161 112 M CB 0.341 32.911 32.600 -0.050 0.000 1.437 112 M HN -0.113 nan 8.290 nan 0.000 0.465 113 N N 1.606 120.266 118.700 -0.067 0.000 2.626 113 N HA 0.345 5.085 4.740 -0.000 0.000 0.249 113 N C -2.072 173.399 175.510 -0.066 0.000 1.021 113 N CA -0.256 52.808 53.050 0.023 0.000 0.886 113 N CB 0.317 38.808 38.487 0.007 0.000 1.149 113 N HN 0.349 nan 8.380 nan 0.000 0.517 114 F N 1.249 121.191 119.950 -0.013 0.000 2.411 114 F HA 0.485 5.012 4.527 -0.000 0.000 0.350 114 F C 1.238 177.042 175.800 0.008 0.000 1.114 114 F CA -0.313 57.668 58.000 -0.031 0.000 1.135 114 F CB 1.793 40.729 39.000 -0.106 0.000 1.120 114 F HN 0.202 nan 8.300 nan 0.000 0.495 115 T N 0.048 114.703 114.554 0.169 0.000 2.883 115 T HA 0.343 4.693 4.350 -0.000 0.000 0.301 115 T C 0.400 175.195 174.700 0.159 0.000 1.158 115 T CA -0.418 61.767 62.100 0.142 0.000 1.007 115 T CB 1.294 70.209 68.868 0.080 0.000 1.186 115 T HN 0.540 nan 8.240 nan 0.000 0.499 116 S N 1.737 117.571 115.700 0.223 0.000 2.631 116 S HA 0.145 4.615 4.470 -0.000 0.000 0.217 116 S C 0.581 175.355 174.600 0.290 0.000 0.958 116 S CA 0.498 58.879 58.200 0.302 0.000 0.920 116 S CB -0.500 63.042 63.200 0.570 0.000 0.776 116 S HN 0.904 nan 8.310 nan 0.000 0.517 117 D N 1.191 121.710 120.400 0.199 0.000 2.859 117 D HA -0.217 4.423 4.640 -0.000 0.000 0.215 117 D C -0.851 175.571 176.300 0.203 0.000 1.253 117 D CA 0.309 54.396 54.000 0.145 0.000 0.673 117 D CB -1.906 38.938 40.800 0.075 0.000 0.941 117 D HN 0.337 nan 8.370 nan 0.000 0.394 118 F N 1.031 120.975 119.950 -0.009 0.000 2.629 118 F HA 0.083 4.610 4.527 -0.000 0.000 0.377 118 F C 1.443 177.234 175.800 -0.014 0.000 1.101 118 F CA 0.561 58.550 58.000 -0.018 0.000 1.301 118 F CB 0.467 39.433 39.000 -0.057 0.000 1.062 118 F HN 0.146 nan 8.300 nan 0.000 0.583 119 Q N 2.279 122.074 119.800 -0.009 0.000 2.433 119 Q HA 0.163 4.503 4.340 -0.000 0.000 0.279 119 Q C 1.089 177.074 176.000 -0.026 0.000 1.105 119 Q CA -0.699 55.101 55.803 -0.005 0.000 0.815 119 Q CB 1.482 30.203 28.738 -0.028 0.000 1.403 119 Q HN 0.727 nan 8.270 nan 0.000 0.435 120 E N 1.542 121.745 120.200 0.006 0.000 2.113 120 E HA -0.321 4.029 4.350 -0.000 0.000 0.210 120 E C 1.442 178.047 176.600 0.008 0.000 1.040 120 E CA 2.637 59.043 56.400 0.011 0.000 0.847 120 E CB 0.166 29.875 29.700 0.014 0.000 0.755 120 E HN 0.570 nan 8.360 nan 0.000 0.459 121 K N -0.121 120.294 120.400 0.025 0.000 2.280 121 K HA -0.184 4.136 4.320 -0.000 0.000 0.202 121 K C 1.229 177.878 176.600 0.083 0.000 1.047 121 K CA 1.759 58.119 56.287 0.122 0.000 0.942 121 K CB 0.029 32.590 32.500 0.103 0.000 0.739 121 K HN 0.132 nan 8.250 nan 0.000 0.457 122 D N 0.820 121.138 120.400 -0.138 0.000 2.224 122 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 122 D C 1.858 178.010 176.300 -0.247 0.000 0.965 122 D CA 0.802 54.569 54.000 -0.389 0.000 0.852 122 D CB 0.022 40.195 40.800 -1.045 0.000 0.947 122 D HN 0.247 nan 8.370 nan 0.000 0.494 123 I N 0.506 121.037 120.570 -0.064 0.000 2.206 123 I HA -0.184 3.986 4.170 -0.000 0.000 0.239 123 I C 2.566 178.672 176.117 -0.019 0.000 1.078 123 I CA 0.566 61.907 61.300 0.067 0.000 1.367 123 I CB -0.634 37.414 38.000 0.079 0.000 1.078 123 I HN -0.183 nan 8.210 nan 0.000 0.413 124 V N 0.083 119.941 119.914 -0.093 0.000 2.380 124 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 124 V C 1.898 177.706 176.094 -0.477 0.000 1.063 124 V CA 2.038 64.156 62.300 -0.304 0.000 1.055 124 V CB -0.698 30.880 31.823 -0.408 0.000 0.657 124 V HN 0.307 nan 8.190 nan 0.000 0.455 125 F N -0.230 119.696 119.950 -0.040 0.000 2.678 125 F HA 0.553 5.080 4.527 -0.000 0.000 0.305 125 F C 1.350 177.134 175.800 -0.028 0.000 1.090 125 F CA 0.344 58.322 58.000 -0.036 0.000 1.272 125 F CB 0.062 39.034 39.000 -0.048 0.000 1.060 125 F HN 0.215 nan 8.300 nan 0.000 0.576 126 G N 0.897 109.756 108.800 0.099 0.000 3.429 126 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.605 126 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.605 126 G C 0.750 175.694 174.900 0.074 0.000 0.973 126 G CA -0.301 44.860 45.100 0.101 0.000 0.774 126 G HN 0.667 nan 8.290 nan 0.000 0.422 127 G N 0.970 109.787 108.800 0.028 0.000 3.318 127 G HA2 0.274 4.234 3.960 -0.000 0.000 0.230 127 G HA3 0.274 4.234 3.960 -0.000 0.000 0.230 127 G C 0.967 175.984 174.900 0.195 0.000 1.317 127 G CA 0.858 45.947 45.100 -0.019 0.000 1.197 127 G HN 0.676 nan 8.290 nan 0.000 0.514 128 D N 0.643 121.140 120.400 0.160 0.000 2.178 128 D HA -0.028 4.611 4.640 -0.000 0.000 0.202 128 D C 2.384 178.732 176.300 0.079 0.000 0.974 128 D CA 0.799 54.884 54.000 0.142 0.000 0.841 128 D CB 0.216 41.078 40.800 0.103 0.000 0.953 128 D HN 0.320 nan 8.370 nan 0.000 0.478 129 K N 0.201 120.632 120.400 0.051 0.000 2.116 129 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 129 K C 2.037 178.646 176.600 0.015 0.000 1.052 129 K CA 0.498 56.796 56.287 0.019 0.000 0.952 129 K CB 0.102 32.602 32.500 -0.000 0.000 0.729 129 K HN -0.013 nan 8.250 nan 0.000 0.446 130 K N 1.638 122.051 120.400 0.022 0.000 2.063 130 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 130 K C 2.134 178.762 176.600 0.047 0.000 1.048 130 K CA 0.995 57.295 56.287 0.022 0.000 0.928 130 K CB -0.101 32.400 32.500 0.002 0.000 0.713 130 K HN 0.087 nan 8.250 nan 0.000 0.442 131 L N 0.397 121.664 121.223 0.074 0.000 1.989 131 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 131 L C 2.418 179.258 176.870 -0.051 0.000 1.071 131 L CA 1.676 56.498 54.840 -0.029 0.000 0.749 131 L CB -0.545 41.455 42.059 -0.098 0.000 0.890 131 L HN 0.346 nan 8.230 nan 0.000 0.431 132 A N 0.140 122.943 122.820 -0.029 0.000 1.873 132 A HA -0.329 3.991 4.320 -0.000 0.000 0.218 132 A C 2.230 179.798 177.584 -0.027 0.000 1.193 132 A CA 2.360 54.378 52.037 -0.032 0.000 0.629 132 A CB -0.672 18.317 19.000 -0.017 0.000 0.826 132 A HN 0.406 nan 8.150 nan 0.000 0.447 133 K N 0.036 120.427 120.400 -0.015 0.000 2.063 133 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 133 K C 1.843 178.439 176.600 -0.007 0.000 1.048 133 K CA 1.734 58.014 56.287 -0.012 0.000 0.928 133 K CB -0.710 31.784 32.500 -0.010 0.000 0.713 133 K HN 0.480 nan 8.250 nan 0.000 0.442 134 L N 0.212 121.432 121.223 -0.004 0.000 1.989 134 L HA -0.171 4.168 4.340 -0.000 0.000 0.211 134 L C 2.199 179.065 176.870 -0.006 0.000 1.071 134 L CA 1.674 56.520 54.840 0.009 0.000 0.749 134 L CB -0.288 41.778 42.059 0.011 0.000 0.890 134 L HN 0.248 nan 8.230 nan 0.000 0.431 135 I N 0.068 120.612 120.570 -0.043 0.000 2.151 135 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 135 I C 2.184 178.280 176.117 -0.036 0.000 1.080 135 I CA 1.687 62.950 61.300 -0.062 0.000 1.339 135 I CB -0.699 37.250 38.000 -0.086 0.000 1.039 135 I HN 0.393 nan 8.210 nan 0.000 0.409 136 D N 0.780 121.164 120.400 -0.026 0.000 2.104 136 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 136 D C 2.093 178.387 176.300 -0.011 0.000 0.994 136 D CA 1.402 55.391 54.000 -0.019 0.000 0.830 136 D CB -0.281 40.508 40.800 -0.018 0.000 0.959 136 D HN 0.462 nan 8.370 nan 0.000 0.452 137 E N 0.230 120.430 120.200 0.001 0.000 2.118 137 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 137 E C 2.312 178.933 176.600 0.034 0.000 0.992 137 E CA 0.542 56.947 56.400 0.010 0.000 0.804 137 E CB 0.115 29.831 29.700 0.027 0.000 0.741 137 E HN 0.092 nan 8.360 nan 0.000 0.458 138 V N 1.635 121.592 119.914 0.071 0.000 2.261 138 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 138 V C 2.249 178.396 176.094 0.089 0.000 1.047 138 V CA 1.690 64.084 62.300 0.157 0.000 1.015 138 V CB -0.407 31.436 31.823 0.033 0.000 0.642 138 V HN 0.196 nan 8.190 nan 0.000 0.446 139 E N 0.187 120.393 120.200 0.011 0.000 2.118 139 E HA -0.196 4.153 4.350 -0.000 0.000 0.195 139 E C 2.307 178.900 176.600 -0.012 0.000 0.992 139 E CA 1.986 58.383 56.400 -0.004 0.000 0.804 139 E CB -0.517 29.172 29.700 -0.018 0.000 0.741 139 E HN 0.633 nan 8.360 nan 0.000 0.458 140 T N 1.286 115.821 114.554 -0.032 0.000 2.770 140 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 140 T C 2.049 176.675 174.700 -0.124 0.000 1.039 140 T CA 0.756 62.821 62.100 -0.059 0.000 1.142 140 T CB -0.096 68.739 68.868 -0.055 0.000 0.868 140 T HN 0.103 nan 8.240 nan 0.000 0.435 141 L N -0.746 120.345 121.223 -0.219 0.000 2.418 141 L HA 0.239 4.579 4.340 -0.000 0.000 0.218 141 L C -0.046 176.307 176.870 -0.861 0.000 1.125 141 L CA 0.591 55.107 54.840 -0.541 0.000 0.835 141 L CB 0.110 41.750 42.059 -0.699 0.000 0.953 141 L HN 0.188 nan 8.230 nan 0.000 0.454 142 F N -1.425 118.533 119.950 0.013 0.000 2.646 142 F HA 0.328 4.854 4.527 -0.000 0.000 0.336 142 F C -1.852 173.946 175.800 -0.003 0.000 1.437 142 F CA -1.906 56.103 58.000 0.015 0.000 1.142 142 F CB 0.278 39.193 39.000 -0.142 0.000 1.530 142 F HN -0.214 nan 8.300 nan 0.000 0.591 143 P HA -0.181 nan 4.420 nan 0.000 0.216 143 P C 1.573 178.944 177.300 0.118 0.000 1.150 143 P CA 1.199 64.350 63.100 0.084 0.000 0.843 143 P CB 0.318 32.052 31.700 0.057 0.000 0.787 144 L N -0.994 120.346 121.223 0.196 0.000 2.610 144 L HA 0.011 4.351 4.340 -0.000 0.000 0.232 144 L C 0.766 177.795 176.870 0.266 0.000 1.149 144 L CA 0.356 55.324 54.840 0.213 0.000 0.872 144 L CB -2.130 40.062 42.059 0.222 0.000 0.992 144 L HN 0.079 nan 8.230 nan 0.000 0.447 145 N N -0.670 118.162 118.700 0.220 0.000 2.518 145 N HA -0.002 4.738 4.740 -0.000 0.000 0.266 145 N C 0.403 175.953 175.510 0.067 0.000 1.196 145 N CA 0.161 53.291 53.050 0.133 0.000 0.947 145 N CB 0.407 38.746 38.487 -0.246 0.000 1.098 145 N HN -0.003 nan 8.380 nan 0.000 0.450 146 K N 0.647 121.089 120.400 0.071 0.000 2.397 146 K HA 0.277 4.597 4.320 -0.000 0.000 0.202 146 K C -0.118 176.484 176.600 0.003 0.000 1.022 146 K CA -0.290 56.020 56.287 0.039 0.000 1.141 146 K CB 0.274 32.805 32.500 0.052 0.000 0.857 146 K HN 0.816 nan 8.250 nan 0.000 0.514 147 G N 0.753 109.522 108.800 -0.052 0.000 2.328 147 G HA2 0.275 4.235 3.960 -0.000 0.000 0.299 147 G HA3 0.275 4.235 3.960 -0.000 0.000 0.299 147 G C -1.668 173.119 174.900 -0.189 0.000 1.435 147 G CA -0.954 44.098 45.100 -0.080 0.000 0.865 147 G HN 0.014 nan 8.290 nan 0.000 0.601 148 I N 0.066 120.511 120.570 -0.208 0.000 3.074 148 I HA 0.750 4.919 4.170 -0.000 0.000 0.310 148 I C -0.156 175.777 176.117 -0.306 0.000 1.153 148 I CA -1.134 59.982 61.300 -0.306 0.000 0.993 148 I CB 2.706 40.528 38.000 -0.298 0.000 1.237 148 I HN 0.839 nan 8.210 nan 0.000 0.443 149 S N 2.240 117.740 115.700 -0.334 0.000 2.614 149 S HA 0.573 5.043 4.470 -0.000 0.000 0.275 149 S C -0.881 173.499 174.600 -0.365 0.000 1.161 149 S CA -0.784 57.152 58.200 -0.439 0.000 0.969 149 S CB 1.475 64.361 63.200 -0.523 0.000 1.059 149 S HN 0.632 nan 8.310 nan 0.000 0.482 150 V N 1.106 120.779 119.914 -0.401 0.000 2.383 150 V HA 0.618 4.738 4.120 -0.000 0.000 0.275 150 V C -0.632 175.320 176.094 -0.236 0.000 1.036 150 V CA -0.339 61.790 62.300 -0.285 0.000 0.889 150 V CB 1.136 32.774 31.823 -0.309 0.000 0.985 150 V HN 0.881 nan 8.190 nan 0.000 0.459 151 Q N 3.679 123.417 119.800 -0.103 0.000 2.398 151 Q HA 0.418 4.758 4.340 -0.000 0.000 0.251 151 Q C 0.018 176.073 176.000 0.093 0.000 0.999 151 Q CA -0.043 55.732 55.803 -0.047 0.000 0.874 151 Q CB 1.510 30.233 28.738 -0.025 0.000 1.215 151 Q HN 0.880 nan 8.270 nan 0.000 0.470 152 S N 2.662 118.372 115.700 0.016 0.000 2.516 152 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 152 S C 0.254 174.858 174.600 0.006 0.000 1.286 152 S CA -0.025 58.168 58.200 -0.011 0.000 1.066 152 S CB 0.619 63.780 63.200 -0.065 0.000 0.884 152 S HN 0.358 nan 8.310 nan 0.000 0.491 153 E N 1.089 121.217 120.200 -0.120 0.000 2.227 153 E HA 0.227 4.577 4.350 -0.000 0.000 0.268 153 E C 0.894 177.427 176.600 -0.112 0.000 0.990 153 E CA -0.892 55.394 56.400 -0.191 0.000 0.856 153 E CB 0.724 30.221 29.700 -0.338 0.000 1.159 153 E HN 0.631 nan 8.360 nan 0.000 0.401 154 C N 1.771 121.064 119.300 -0.012 0.000 2.320 154 C HA -0.221 4.239 4.460 -0.000 0.000 0.266 154 C C -0.387 174.711 174.990 0.180 0.000 1.119 154 C CA 1.204 60.366 59.018 0.240 0.000 1.813 154 C CB -1.964 25.916 27.740 0.232 0.000 2.057 154 C HN 0.770 nan 8.230 nan 0.000 0.433 155 P HA -0.144 nan 4.420 nan 0.000 0.217 155 P C 1.545 178.800 177.300 -0.075 0.000 1.158 155 P CA 1.627 64.681 63.100 -0.077 0.000 0.887 155 P CB -0.309 31.285 31.700 -0.177 0.000 0.792 156 I N -0.994 119.465 120.570 -0.185 0.000 2.194 156 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 156 I C 2.415 178.532 176.117 0.001 0.000 1.093 156 I CA 2.251 63.458 61.300 -0.155 0.000 1.355 156 I CB -2.330 35.532 38.000 -0.230 0.000 1.046 156 I HN 0.043 nan 8.210 nan 0.000 0.413 157 G N 1.008 109.868 108.800 0.100 0.000 2.402 157 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 157 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 157 G C 1.840 176.872 174.900 0.219 0.000 1.162 157 G CA 0.351 45.582 45.100 0.219 0.000 0.777 157 G HN 0.314 nan 8.290 nan 0.000 0.539 158 L N 0.926 122.234 121.223 0.141 0.000 1.988 158 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 158 L C 2.879 179.749 176.870 -0.001 0.000 1.071 158 L CA 1.367 56.200 54.840 -0.012 0.000 0.744 158 L CB -0.675 41.308 42.059 -0.127 0.000 0.893 158 L HN 0.359 nan 8.230 nan 0.000 0.433 159 I N -1.294 119.281 120.570 0.007 0.000 2.700 159 I HA 0.030 4.200 4.170 -0.000 0.000 0.261 159 I C 1.117 177.251 176.117 0.028 0.000 1.219 159 I CA 0.705 62.014 61.300 0.015 0.000 1.463 159 I CB -1.195 36.829 38.000 0.041 0.000 1.092 159 I HN 0.380 nan 8.210 nan 0.000 0.452 160 G N 2.407 111.229 108.800 0.037 0.000 2.392 160 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.290 160 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.290 160 G C -0.656 174.274 174.900 0.049 0.000 1.032 160 G CA 0.233 45.357 45.100 0.041 0.000 1.269 160 G HN 0.536 nan 8.290 nan 0.000 0.511 161 D N 0.157 120.593 120.400 0.059 0.000 2.264 161 D HA 0.324 4.964 4.640 -0.000 0.000 0.250 161 D C 0.545 176.886 176.300 0.068 0.000 1.113 161 D CA -0.445 53.605 54.000 0.084 0.000 0.871 161 D CB 1.099 41.979 40.800 0.133 0.000 1.167 161 D HN 0.162 nan 8.370 nan 0.000 0.447 162 D N 2.852 123.289 120.400 0.061 0.000 2.848 162 D HA -0.024 4.616 4.640 -0.000 0.000 0.232 162 D C 1.652 177.972 176.300 0.034 0.000 1.107 162 D CA -0.127 53.900 54.000 0.046 0.000 1.020 162 D CB -0.354 40.471 40.800 0.043 0.000 1.148 162 D HN 0.514 nan 8.370 nan 0.000 0.453 163 I N -1.512 119.075 120.570 0.028 0.000 2.423 163 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 163 I C 1.506 177.574 176.117 -0.081 0.000 1.151 163 I CA 0.854 62.143 61.300 -0.020 0.000 1.421 163 I CB -0.100 37.887 38.000 -0.022 0.000 1.079 163 I HN -0.068 nan 8.210 nan 0.000 0.431 164 E N 1.578 121.754 120.200 -0.040 0.000 2.038 164 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 164 E C 2.308 178.929 176.600 0.036 0.000 1.000 164 E CA 1.735 58.131 56.400 -0.006 0.000 0.803 164 E CB -0.726 29.045 29.700 0.118 0.000 0.750 164 E HN 0.612 nan 8.360 nan 0.000 0.448 165 S N 0.605 116.333 115.700 0.048 0.000 2.356 165 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 165 S C 2.265 176.877 174.600 0.020 0.000 1.032 165 S CA 1.365 59.597 58.200 0.053 0.000 1.005 165 S CB -0.259 62.968 63.200 0.044 0.000 0.867 165 S HN 0.112 nan 8.310 nan 0.000 0.449 166 V N 1.659 121.567 119.914 -0.010 0.000 2.324 166 V HA -0.169 3.950 4.120 -0.000 0.000 0.250 166 V C 2.640 178.694 176.094 -0.067 0.000 1.060 166 V CA 2.265 64.545 62.300 -0.034 0.000 1.042 166 V CB -1.175 30.620 31.823 -0.046 0.000 0.650 166 V HN 0.489 nan 8.190 nan 0.000 0.450 167 S N -0.715 114.913 115.700 -0.120 0.000 2.355 167 S HA -0.225 4.245 4.470 -0.000 0.000 0.222 167 S C 2.029 176.596 174.600 -0.054 0.000 1.031 167 S CA 1.753 59.840 58.200 -0.188 0.000 0.993 167 S CB -0.291 62.646 63.200 -0.440 0.000 0.859 167 S HN 0.594 nan 8.310 nan 0.000 0.453 168 K N 0.931 121.369 120.400 0.064 0.000 2.057 168 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 168 K C 1.968 178.622 176.600 0.091 0.000 1.049 168 K CA 1.128 57.525 56.287 0.183 0.000 0.931 168 K CB -0.185 32.462 32.500 0.245 0.000 0.714 168 K HN 0.156 nan 8.250 nan 0.000 0.440 169 V N 1.738 121.682 119.914 0.050 0.000 2.270 169 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 169 V C 2.236 178.339 176.094 0.015 0.000 1.043 169 V CA 1.607 63.925 62.300 0.030 0.000 1.014 169 V CB -0.381 31.453 31.823 0.019 0.000 0.645 169 V HN 0.253 nan 8.190 nan 0.000 0.447 170 K N 0.795 121.193 120.400 -0.005 0.000 2.057 170 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 170 K C 2.247 178.840 176.600 -0.011 0.000 1.049 170 K CA 1.556 57.832 56.287 -0.018 0.000 0.931 170 K CB -1.207 31.266 32.500 -0.045 0.000 0.714 170 K HN 0.533 nan 8.250 nan 0.000 0.440 171 G N 1.305 110.104 108.800 -0.001 0.000 2.446 171 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 171 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 171 G C 1.744 176.664 174.900 0.033 0.000 1.168 171 G CA 1.425 46.536 45.100 0.019 0.000 0.771 171 G HN 0.389 nan 8.290 nan 0.000 0.551 172 A N 0.629 123.474 122.820 0.042 0.000 1.902 172 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 172 A C 2.167 179.764 177.584 0.022 0.000 1.181 172 A CA 2.107 54.166 52.037 0.037 0.000 0.623 172 A CB -0.521 18.502 19.000 0.038 0.000 0.818 172 A HN 0.521 nan 8.150 nan 0.000 0.443 173 E N 0.002 120.211 120.200 0.015 0.000 2.007 173 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 173 E C 1.781 178.384 176.600 0.006 0.000 0.999 173 E CA 1.416 57.821 56.400 0.008 0.000 0.811 173 E CB -0.275 29.427 29.700 0.003 0.000 0.762 173 E HN 0.583 nan 8.360 nan 0.000 0.450 174 L N 0.519 121.743 121.223 0.001 0.000 2.465 174 L HA 0.020 4.360 4.340 -0.000 0.000 0.224 174 L C 0.763 177.636 176.870 0.004 0.000 1.145 174 L CA 0.352 55.190 54.840 -0.003 0.000 0.834 174 L CB -0.033 42.018 42.059 -0.014 0.000 0.944 174 L HN 0.072 nan 8.230 nan 0.000 0.451 175 S N -0.064 115.643 115.700 0.011 0.000 3.698 175 S HA -0.134 4.336 4.470 -0.000 0.000 0.338 175 S C 0.118 174.728 174.600 0.018 0.000 1.089 175 S CA 0.877 59.088 58.200 0.019 0.000 0.991 175 S CB -1.086 62.125 63.200 0.018 0.000 0.909 175 S HN 0.389 nan 8.310 nan 0.000 0.485 176 K N 1.017 121.423 120.400 0.011 0.000 2.318 176 K HA 0.414 4.734 4.320 -0.000 0.000 0.249 176 K C -0.079 176.527 176.600 0.011 0.000 0.942 176 K CA -0.550 55.738 56.287 0.002 0.000 0.808 176 K CB 1.650 34.135 32.500 -0.025 0.000 1.189 176 K HN 0.123 nan 8.250 nan 0.000 0.428 177 T N 3.245 117.810 114.554 0.018 0.000 2.738 177 T HA 0.317 4.667 4.350 -0.000 0.000 0.293 177 T C 0.423 175.105 174.700 -0.030 0.000 0.913 177 T CA 0.005 62.131 62.100 0.043 0.000 1.103 177 T CB -0.261 68.650 68.868 0.072 0.000 0.880 177 T HN 0.281 nan 8.240 nan 0.000 0.526 178 I N 3.803 124.334 120.570 -0.066 0.000 2.411 178 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 178 I C -0.384 175.489 176.117 -0.407 0.000 1.012 178 I CA -1.010 60.160 61.300 -0.216 0.000 1.119 178 I CB 1.745 39.620 38.000 -0.208 0.000 1.261 178 I HN 0.260 nan 8.210 nan 0.000 0.448 179 V N 8.492 128.101 119.914 -0.508 0.000 2.333 179 V HA 0.310 4.429 4.120 -0.000 0.000 0.274 179 V C -2.107 173.454 176.094 -0.889 0.000 1.028 179 V CA -1.626 60.193 62.300 -0.802 0.000 0.851 179 V CB 1.176 32.581 31.823 -0.696 0.000 1.000 179 V HN 0.548 nan 8.190 nan 0.000 0.456 180 P HA 0.284 nan 4.420 nan 0.000 0.291 180 P C -0.762 176.224 177.300 -0.523 0.000 1.340 180 P CA -0.151 62.538 63.100 -0.686 0.000 0.799 180 P CB 1.502 32.820 31.700 -0.637 0.000 0.917 181 V N 6.099 125.753 119.914 -0.432 0.000 2.398 181 V HA 0.323 4.443 4.120 -0.000 0.000 0.286 181 V C 1.141 177.119 176.094 -0.193 0.000 1.026 181 V CA -0.574 61.535 62.300 -0.318 0.000 0.868 181 V CB 1.661 33.232 31.823 -0.420 0.000 0.982 181 V HN 0.372 nan 8.190 nan 0.000 0.443 182 R N 2.907 123.323 120.500 -0.140 0.000 4.518 182 R HA 0.163 4.503 4.340 -0.000 0.000 0.243 182 R C 0.410 176.623 176.300 -0.144 0.000 1.720 182 R CA -0.141 55.887 56.100 -0.121 0.000 1.526 182 R CB -0.085 30.158 30.300 -0.095 0.000 1.425 182 R HN 0.911 nan 8.270 nan 0.000 0.787 183 C N -0.917 118.305 119.300 -0.129 0.000 2.365 183 C HA 0.346 4.806 4.460 -0.000 0.000 0.386 183 C C 0.087 174.999 174.990 -0.131 0.000 1.357 183 C CA -1.264 57.679 59.018 -0.125 0.000 1.747 183 C CB -1.662 26.024 27.740 -0.091 0.000 2.487 183 C HN 0.303 nan 8.230 nan 0.000 0.585 184 E N 1.165 121.206 120.200 -0.265 0.000 2.480 184 E HA 0.344 4.694 4.350 -0.000 0.000 0.258 184 E C 1.607 177.954 176.600 -0.421 0.000 0.984 184 E CA 0.814 56.985 56.400 -0.382 0.000 0.930 184 E CB 0.477 29.729 29.700 -0.747 0.000 0.936 184 E HN 0.613 nan 8.360 nan 0.000 0.466 185 G N 3.239 111.943 108.800 -0.159 0.000 2.597 185 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.222 185 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.222 185 G C 1.216 176.077 174.900 -0.066 0.000 1.135 185 G CA 1.429 46.493 45.100 -0.060 0.000 0.759 185 G HN 0.701 nan 8.290 nan 0.000 0.595 186 F N 0.426 120.361 119.950 -0.024 0.000 2.325 186 F HA 0.294 4.821 4.527 -0.000 0.000 0.299 186 F C 1.353 177.140 175.800 -0.022 0.000 1.090 186 F CA -0.133 57.853 58.000 -0.024 0.000 1.392 186 F CB -0.276 38.706 39.000 -0.029 0.000 1.053 186 F HN -0.052 nan 8.300 nan 0.000 0.521 187 R N 1.762 121.888 120.500 -0.624 0.000 2.404 187 R HA 0.414 4.754 4.340 -0.000 0.000 0.315 187 R C 0.579 176.779 176.300 -0.168 0.000 1.032 187 R CA 0.927 56.802 56.100 -0.375 0.000 0.992 187 R CB -0.398 29.592 30.300 -0.517 0.000 0.959 187 R HN 0.714 nan 8.270 nan 0.000 0.428 188 G N 1.669 110.430 108.800 -0.065 0.000 2.418 188 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.206 188 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.206 188 G C 0.045 174.941 174.900 -0.007 0.000 1.202 188 G CA -0.215 44.860 45.100 -0.041 0.000 1.061 188 G HN 0.937 nan 8.290 nan 0.000 0.563 189 V N -3.517 116.395 119.914 -0.004 0.000 3.400 189 V HA 0.712 4.832 4.120 -0.000 0.000 0.281 189 V C 0.496 176.609 176.094 0.032 0.000 1.617 189 V CA 1.643 63.957 62.300 0.023 0.000 1.044 189 V CB -0.149 31.697 31.823 0.037 0.000 0.858 189 V HN 2.604 nan 8.190 nan 0.000 0.425 190 S N -0.389 115.307 115.700 -0.007 0.000 2.680 190 S HA 0.336 4.806 4.470 -0.000 0.000 0.276 190 S C 0.046 174.534 174.600 -0.186 0.000 1.189 190 S CA 0.034 58.216 58.200 -0.029 0.000 0.909 190 S CB 1.385 64.638 63.200 0.087 0.000 1.227 190 S HN 0.056 nan 8.310 nan 0.000 0.501 191 Q N 1.004 120.574 119.800 -0.384 0.000 2.297 191 Q HA 0.143 4.483 4.340 -0.000 0.000 0.204 191 Q C 2.070 177.532 176.000 -0.896 0.000 0.962 191 Q CA 1.274 56.708 55.803 -0.615 0.000 0.879 191 Q CB -0.427 27.843 28.738 -0.781 0.000 0.947 191 Q HN 0.607 nan 8.270 nan 0.000 0.462 192 S N 0.615 115.850 115.700 -0.775 0.000 2.369 192 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 192 S C 1.716 176.166 174.600 -0.250 0.000 1.043 192 S CA 1.398 59.317 58.200 -0.468 0.000 1.074 192 S CB -0.357 62.959 63.200 0.194 0.000 0.962 192 S HN 0.423 nan 8.310 nan 0.000 0.433 193 L N 1.857 123.008 121.223 -0.119 0.000 2.127 193 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 193 L C 2.323 179.110 176.870 -0.138 0.000 1.089 193 L CA 2.160 56.958 54.840 -0.071 0.000 0.757 193 L CB -1.414 40.605 42.059 -0.067 0.000 0.899 193 L HN 0.422 nan 8.230 nan 0.000 0.434 194 G N -1.685 106.985 108.800 -0.216 0.000 2.469 194 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 194 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 194 G C 1.359 176.225 174.900 -0.055 0.000 1.136 194 G CA 1.233 46.233 45.100 -0.167 0.000 0.759 194 G HN 0.627 nan 8.290 nan 0.000 0.562 195 H N -1.353 117.652 119.070 -0.109 0.000 2.270 195 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 195 H C 2.531 177.761 175.328 -0.165 0.000 1.077 195 H CA 1.078 57.086 56.048 -0.067 0.000 1.294 195 H CB -0.135 29.655 29.762 0.047 0.000 1.371 195 H HN 0.316 nan 8.280 nan 0.000 0.491 196 H N 1.164 119.950 119.070 -0.473 0.000 2.353 196 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 196 H C 2.181 177.289 175.328 -0.367 0.000 1.103 196 H CA 1.804 57.291 56.048 -0.936 0.000 1.293 196 H CB -0.411 28.812 29.762 -0.899 0.000 1.372 196 H HN 0.319 nan 8.280 nan 0.000 0.501 197 I N -0.076 120.402 120.570 -0.153 0.000 2.142 197 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 197 I C 2.864 179.003 176.117 0.037 0.000 1.078 197 I CA 1.141 62.370 61.300 -0.118 0.000 1.343 197 I CB -0.609 37.326 38.000 -0.109 0.000 1.046 197 I HN 0.300 nan 8.210 nan 0.000 0.405 198 A N 0.913 123.808 122.820 0.124 0.000 1.917 198 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 198 A C 2.123 179.887 177.584 0.300 0.000 1.182 198 A CA 2.161 54.413 52.037 0.359 0.000 0.633 198 A CB -1.035 18.135 19.000 0.284 0.000 0.819 198 A HN 0.504 nan 8.150 nan 0.000 0.448 199 N N -0.184 118.610 118.700 0.157 0.000 2.043 199 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 199 N C 1.156 176.769 175.510 0.172 0.000 1.037 199 N CA 1.675 54.828 53.050 0.171 0.000 0.851 199 N CB -0.328 38.267 38.487 0.181 0.000 1.027 199 N HN 0.428 nan 8.380 nan 0.000 0.422 200 D N 1.064 121.534 120.400 0.117 0.000 2.123 200 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 200 D C 1.897 178.291 176.300 0.157 0.000 0.992 200 D CA 0.850 54.892 54.000 0.070 0.000 0.833 200 D CB -0.380 40.401 40.800 -0.032 0.000 0.954 200 D HN 0.243 nan 8.370 nan 0.000 0.455 201 A N 0.647 123.617 122.820 0.249 0.000 1.883 201 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 201 A C 2.566 180.457 177.584 0.512 0.000 1.186 201 A CA 1.609 53.879 52.037 0.389 0.000 0.624 201 A CB -0.858 18.332 19.000 0.318 0.000 0.822 201 A HN 0.153 nan 8.150 nan 0.000 0.444 202 V N 0.308 120.526 119.914 0.506 0.000 2.255 202 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 202 V C 2.657 178.915 176.094 0.272 0.000 1.051 202 V CA 2.418 64.948 62.300 0.383 0.000 1.018 202 V CB -0.923 30.994 31.823 0.156 0.000 0.641 202 V HN 0.696 nan 8.190 nan 0.000 0.445 203 R N 0.239 120.844 120.500 0.175 0.000 2.094 203 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 203 R C 2.016 178.325 176.300 0.015 0.000 1.137 203 R CA 2.440 58.545 56.100 0.009 0.000 0.943 203 R CB -0.443 29.706 30.300 -0.251 0.000 0.850 203 R HN 0.578 nan 8.270 nan 0.000 0.433 204 D N -1.343 119.072 120.400 0.024 0.000 2.194 204 D HA -0.127 4.512 4.640 -0.000 0.000 0.204 204 D C 1.432 177.578 176.300 -0.256 0.000 0.964 204 D CA 1.077 54.996 54.000 -0.135 0.000 0.846 204 D CB -0.137 40.549 40.800 -0.190 0.000 0.962 204 D HN 0.419 nan 8.370 nan 0.000 0.490 205 W N 0.037 121.379 121.300 0.071 0.000 2.993 205 W HA 0.162 4.822 4.660 -0.001 0.000 0.290 205 W C 1.852 178.426 176.519 0.090 0.000 1.203 205 W CA -0.091 57.292 57.345 0.064 0.000 1.582 205 W CB 0.385 29.864 29.460 0.031 0.000 1.033 205 W HN -0.234 nan 8.180 nan 0.000 0.594 206 V N -1.101 118.998 119.914 0.307 0.000 3.029 206 V HA -0.023 4.097 4.120 -0.000 0.000 0.230 206 V C 1.743 177.928 176.094 0.152 0.000 1.254 206 V CA 0.186 62.617 62.300 0.219 0.000 1.276 206 V CB -0.849 31.106 31.823 0.220 0.000 1.080 206 V HN -0.133 nan 8.190 nan 0.000 0.495 207 L N 1.995 123.326 121.223 0.180 0.000 1.978 207 L HA -0.140 4.200 4.340 -0.000 0.000 0.218 207 L C 2.373 179.363 176.870 0.201 0.000 1.075 207 L CA 2.723 57.689 54.840 0.209 0.000 0.767 207 L CB -1.253 41.006 42.059 0.334 0.000 0.890 207 L HN 0.388 nan 8.230 nan 0.000 0.434 208 G N -1.373 107.554 108.800 0.211 0.000 2.501 208 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 208 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 208 G C 1.603 176.579 174.900 0.126 0.000 1.114 208 G CA 0.677 45.891 45.100 0.191 0.000 0.757 208 G HN 0.406 nan 8.290 nan 0.000 0.559 209 K N 0.111 120.570 120.400 0.099 0.000 2.127 209 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 209 K C 1.945 178.584 176.600 0.065 0.000 1.047 209 K CA 1.117 57.448 56.287 0.074 0.000 0.927 209 K CB -0.137 32.406 32.500 0.071 0.000 0.716 209 K HN 0.284 nan 8.250 nan 0.000 0.450 210 R N 0.541 121.078 120.500 0.061 0.000 2.507 210 R HA 0.044 4.383 4.340 -0.000 0.000 0.298 210 R C 0.545 176.885 176.300 0.068 0.000 0.999 210 R CA -0.154 55.976 56.100 0.049 0.000 1.082 210 R CB 0.342 30.652 30.300 0.017 0.000 1.246 210 R HN 0.123 nan 8.270 nan 0.000 0.553 211 D N 1.705 122.169 120.400 0.107 0.000 2.123 211 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 211 D C 1.510 177.876 176.300 0.110 0.000 0.992 211 D CA 1.302 55.393 54.000 0.151 0.000 0.833 211 D CB 0.253 41.168 40.800 0.193 0.000 0.954 211 D HN 0.164 nan 8.370 nan 0.000 0.455 212 E N 0.497 120.746 120.200 0.082 0.000 2.358 212 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 212 E C 0.474 177.112 176.600 0.063 0.000 1.010 212 E CA 0.156 56.596 56.400 0.066 0.000 0.856 212 E CB -0.073 29.658 29.700 0.052 0.000 0.795 212 E HN 0.394 nan 8.360 nan 0.000 0.504 213 D N 1.189 121.629 120.400 0.066 0.000 2.308 213 D HA 0.015 4.655 4.640 -0.000 0.000 0.251 213 D C 0.428 176.776 176.300 0.081 0.000 1.127 213 D CA 0.358 54.399 54.000 0.068 0.000 0.876 213 D CB 1.063 41.902 40.800 0.066 0.000 1.176 213 D HN -0.031 nan 8.370 nan 0.000 0.446 214 T N -0.778 113.824 114.554 0.080 0.000 3.091 214 T HA 0.011 4.361 4.350 -0.000 0.000 0.277 214 T C 1.565 176.320 174.700 0.092 0.000 0.996 214 T CA 0.205 62.358 62.100 0.088 0.000 0.897 214 T CB 0.032 68.939 68.868 0.064 0.000 1.109 214 T HN 0.403 nan 8.240 nan 0.000 0.534 215 T N -0.179 114.434 114.554 0.099 0.000 2.833 215 T HA 0.065 4.415 4.350 -0.000 0.000 0.269 215 T C 0.533 175.298 174.700 0.108 0.000 1.054 215 T CA -0.065 62.087 62.100 0.087 0.000 1.135 215 T CB -0.895 68.023 68.868 0.083 0.000 0.869 215 T HN 0.395 nan 8.240 nan 0.000 0.466 216 F N 3.440 123.401 119.950 0.020 0.000 2.571 216 F HA 0.458 4.985 4.527 -0.000 0.000 0.384 216 F C 0.605 176.415 175.800 0.018 0.000 1.058 216 F CA -1.660 56.351 58.000 0.020 0.000 1.200 216 F CB -0.092 38.919 39.000 0.019 0.000 1.077 216 F HN 0.275 nan 8.300 nan 0.000 0.558 217 A N 6.116 128.496 122.820 -0.734 0.000 2.410 217 A HA 0.442 4.762 4.320 -0.000 0.000 0.292 217 A C 0.067 177.128 177.584 -0.871 0.000 1.232 217 A CA 0.034 51.715 52.037 -0.593 0.000 0.893 217 A CB -0.827 17.947 19.000 -0.377 0.000 1.131 217 A HN 0.850 nan 8.150 nan 0.000 0.530 218 S N 2.164 117.609 115.700 -0.425 0.000 2.672 218 S HA 0.792 5.262 4.470 -0.000 0.000 0.276 218 S C 0.236 174.770 174.600 -0.111 0.000 1.207 218 S CA 0.093 58.189 58.200 -0.174 0.000 1.002 218 S CB 1.351 64.597 63.200 0.076 0.000 0.998 218 S HN 1.292 nan 8.310 nan 0.000 0.542 219 T N -2.981 111.550 114.554 -0.039 0.000 2.901 219 T HA 0.585 4.935 4.350 -0.000 0.000 0.293 219 T C -2.767 171.859 174.700 -0.124 0.000 1.084 219 T CA -1.975 60.078 62.100 -0.079 0.000 1.008 219 T CB 1.228 70.080 68.868 -0.027 0.000 1.170 219 T HN 0.269 nan 8.240 nan 0.000 0.509 220 P HA 0.071 nan 4.420 nan 0.000 0.228 220 P C -0.198 176.910 177.300 -0.321 0.000 1.151 220 P CA 0.667 63.509 63.100 -0.430 0.000 0.770 220 P CB -0.222 31.054 31.700 -0.707 0.000 0.786 221 Y N -1.811 118.598 120.300 0.182 0.000 2.696 221 Y HA 0.258 4.808 4.550 -0.000 0.000 0.260 221 Y C 0.231 176.198 175.900 0.111 0.000 1.165 221 Y CA -1.436 56.737 58.100 0.122 0.000 1.189 221 Y CB -0.761 37.641 38.460 -0.096 0.000 1.180 221 Y HN -0.180 nan 8.280 nan 0.000 0.538 222 D N 1.964 122.504 120.400 0.234 0.000 2.346 222 D HA 0.259 4.899 4.640 -0.000 0.000 0.260 222 D C 0.211 176.641 176.300 0.218 0.000 1.252 222 D CA 0.415 54.542 54.000 0.213 0.000 0.895 222 D CB 1.040 41.971 40.800 0.218 0.000 1.097 222 D HN 0.158 nan 8.370 nan 0.000 0.489 223 V N -0.317 119.705 119.914 0.179 0.000 3.158 223 V HA 0.980 5.100 4.120 -0.000 0.000 0.315 223 V C -0.570 175.586 176.094 0.102 0.000 1.148 223 V CA -1.152 61.241 62.300 0.156 0.000 1.042 223 V CB 1.916 33.826 31.823 0.145 0.000 1.101 223 V HN 0.452 nan 8.190 nan 0.000 0.448 224 A N 1.927 124.788 122.820 0.068 0.000 2.455 224 A HA 0.837 5.157 4.320 -0.000 0.000 0.300 224 A C -0.877 176.720 177.584 0.022 0.000 1.040 224 A CA -0.645 51.422 52.037 0.051 0.000 0.697 224 A CB 1.254 20.262 19.000 0.014 0.000 1.265 224 A HN 0.902 nan 8.150 nan 0.000 0.407 225 I N 3.880 124.484 120.570 0.056 0.000 2.304 225 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 225 I C -0.239 175.893 176.117 0.026 0.000 1.018 225 I CA -0.210 61.127 61.300 0.061 0.000 1.260 225 I CB 0.672 38.719 38.000 0.078 0.000 1.390 225 I HN 0.623 nan 8.210 nan 0.000 0.475 226 I N 2.495 123.037 120.570 -0.047 0.000 2.465 226 I HA 0.825 4.995 4.170 -0.000 0.000 0.291 226 I C 0.573 176.605 176.117 -0.142 0.000 1.014 226 I CA -0.550 60.653 61.300 -0.162 0.000 1.093 226 I CB 1.916 39.628 38.000 -0.481 0.000 1.267 226 I HN 0.776 nan 8.210 nan 0.000 0.431 227 G N 3.229 111.890 108.800 -0.231 0.000 2.140 227 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.211 227 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.211 227 G C -0.632 174.021 174.900 -0.412 0.000 1.013 227 G CA 0.061 44.977 45.100 -0.306 0.000 0.705 227 G HN 0.911 nan 8.290 nan 0.000 0.508 228 D N -0.471 119.588 120.400 -0.568 0.000 2.505 228 D HA 0.477 5.117 4.640 -0.000 0.000 0.250 228 D C 0.421 176.374 176.300 -0.578 0.000 1.164 228 D CA -0.733 53.016 54.000 -0.418 0.000 0.870 228 D CB 0.660 41.342 40.800 -0.196 0.000 1.160 228 D HN 0.133 nan 8.370 nan 0.000 0.549 229 Y N 2.404 122.644 120.300 -0.099 0.000 2.495 229 Y HA 0.109 4.659 4.550 -0.000 0.000 0.293 229 Y C 1.280 177.062 175.900 -0.196 0.000 1.186 229 Y CA -0.423 57.599 58.100 -0.129 0.000 1.266 229 Y CB -0.414 37.976 38.460 -0.117 0.000 1.101 229 Y HN 0.405 nan 8.280 nan 0.000 0.517 230 N N 0.910 119.483 118.700 -0.212 0.000 2.721 230 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 230 N C -0.622 174.685 175.510 -0.338 0.000 1.072 230 N CA 0.240 53.071 53.050 -0.364 0.000 0.710 230 N CB -1.270 36.900 38.487 -0.528 0.000 0.993 230 N HN 0.428 nan 8.380 nan 0.000 0.547 231 I N 0.245 120.656 120.570 -0.266 0.000 2.671 231 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 231 I C 1.726 177.645 176.117 -0.329 0.000 1.148 231 I CA 1.092 62.190 61.300 -0.337 0.000 1.386 231 I CB -0.426 37.297 38.000 -0.461 0.000 1.406 231 I HN 0.544 nan 8.210 nan 0.000 0.540 232 G N 4.793 113.166 108.800 -0.711 0.000 2.166 232 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.260 232 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.260 232 G C 0.924 175.595 174.900 -0.381 0.000 0.986 232 G CA 0.365 45.014 45.100 -0.753 0.000 0.683 232 G HN 1.468 nan 8.290 nan 0.000 0.527 233 G N -1.227 107.344 108.800 -0.382 0.000 2.163 233 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.213 233 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.213 233 G C 0.765 175.565 174.900 -0.166 0.000 0.991 233 G CA 0.824 45.810 45.100 -0.188 0.000 0.653 233 G HN 0.541 nan 8.290 nan 0.000 0.518 234 D N 0.909 121.154 120.400 -0.258 0.000 2.133 234 D HA -0.127 4.513 4.640 -0.000 0.000 0.192 234 D C 2.689 178.859 176.300 -0.216 0.000 1.001 234 D CA 2.143 55.912 54.000 -0.386 0.000 0.844 234 D CB -0.549 39.730 40.800 -0.868 0.000 0.944 234 D HN 0.780 nan 8.370 nan 0.000 0.447 235 A N 0.802 123.470 122.820 -0.253 0.000 1.877 235 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 235 A C 2.148 179.787 177.584 0.091 0.000 1.186 235 A CA 1.330 53.304 52.037 -0.104 0.000 0.620 235 A CB -1.054 17.820 19.000 -0.209 0.000 0.822 235 A HN 0.255 nan 8.150 nan 0.000 0.443 236 W N 1.083 122.426 121.300 0.071 0.000 2.335 236 W HA -0.184 4.476 4.660 -0.000 0.000 0.311 236 W C 2.905 179.476 176.519 0.087 0.000 1.213 236 W CA 1.701 59.096 57.345 0.083 0.000 1.274 236 W CB -1.641 27.873 29.460 0.090 0.000 1.148 236 W HN 0.559 nan 8.180 nan 0.000 0.498 237 S N -0.523 115.358 115.700 0.302 0.000 2.442 237 S HA -0.135 4.335 4.470 -0.000 0.000 0.236 237 S C 1.762 176.459 174.600 0.162 0.000 1.007 237 S CA 1.541 59.858 58.200 0.194 0.000 0.965 237 S CB -0.645 62.640 63.200 0.141 0.000 0.773 237 S HN 0.102 nan 8.310 nan 0.000 0.504 238 S N 1.586 117.434 115.700 0.247 0.000 2.404 238 S HA 0.129 4.599 4.470 -0.000 0.000 0.223 238 S C 1.860 176.648 174.600 0.313 0.000 1.040 238 S CA 0.438 58.876 58.200 0.398 0.000 0.957 238 S CB -0.315 63.143 63.200 0.430 0.000 0.826 238 S HN 0.605 nan 8.310 nan 0.000 0.491 239 R N 1.410 122.051 120.500 0.235 0.000 2.083 239 R HA -0.036 4.304 4.340 -0.000 0.000 0.237 239 R C 2.301 178.693 176.300 0.153 0.000 1.137 239 R CA 1.481 57.694 56.100 0.188 0.000 0.951 239 R CB -0.542 29.893 30.300 0.224 0.000 0.851 239 R HN 0.406 nan 8.270 nan 0.000 0.434 240 I N 0.998 121.662 120.570 0.157 0.000 2.194 240 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 240 I C 1.903 178.085 176.117 0.107 0.000 1.093 240 I CA 1.441 62.817 61.300 0.126 0.000 1.355 240 I CB -0.011 38.071 38.000 0.137 0.000 1.046 240 I HN 0.326 nan 8.210 nan 0.000 0.413 241 L N 0.049 121.317 121.223 0.075 0.000 2.005 241 L HA -0.242 4.098 4.340 -0.000 0.000 0.207 241 L C 2.565 179.473 176.870 0.064 0.000 1.072 241 L CA 1.325 56.186 54.840 0.036 0.000 0.744 241 L CB -0.793 41.191 42.059 -0.127 0.000 0.895 241 L HN 0.282 nan 8.230 nan 0.000 0.433 242 L N -0.234 121.041 121.223 0.087 0.000 1.990 242 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 242 L C 2.644 179.513 176.870 -0.001 0.000 1.072 242 L CA 1.622 56.485 54.840 0.038 0.000 0.755 242 L CB -0.704 41.374 42.059 0.031 0.000 0.889 242 L HN 0.336 nan 8.230 nan 0.000 0.432 243 E N -0.131 120.086 120.200 0.029 0.000 2.110 243 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 243 E C 2.077 178.681 176.600 0.006 0.000 0.988 243 E CA 0.998 57.407 56.400 0.015 0.000 0.804 243 E CB -0.100 29.627 29.700 0.044 0.000 0.745 243 E HN 0.533 nan 8.360 nan 0.000 0.458 244 E N 0.671 120.895 120.200 0.039 0.000 2.118 244 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 244 E C 1.825 178.429 176.600 0.007 0.000 0.992 244 E CA 1.210 57.640 56.400 0.049 0.000 0.804 244 E CB -0.161 29.613 29.700 0.123 0.000 0.741 244 E HN 0.354 nan 8.360 nan 0.000 0.458 245 M N -2.000 117.589 119.600 -0.017 0.000 2.729 245 M HA 0.344 4.823 4.480 -0.000 0.000 0.229 245 M C 0.873 177.073 176.300 -0.167 0.000 1.280 245 M CA 0.702 55.961 55.300 -0.068 0.000 1.012 245 M CB 0.375 32.945 32.600 -0.050 0.000 1.603 245 M HN 0.083 nan 8.290 nan 0.000 0.452 246 G N 0.970 109.674 108.800 -0.160 0.000 2.179 246 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.260 246 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.260 246 G C -0.019 174.713 174.900 -0.280 0.000 0.977 246 G CA 0.184 45.132 45.100 -0.254 0.000 0.641 246 G HN 0.541 nan 8.290 nan 0.000 0.533 247 L N -0.343 120.748 121.223 -0.221 0.000 2.456 247 L HA 0.604 4.943 4.340 -0.000 0.000 0.257 247 L C 1.077 177.935 176.870 -0.020 0.000 1.162 247 L CA -0.740 54.003 54.840 -0.162 0.000 0.808 247 L CB 1.054 42.990 42.059 -0.206 0.000 1.136 247 L HN 0.213 nan 8.230 nan 0.000 0.466 248 R N 0.817 121.349 120.500 0.053 0.000 2.358 248 R HA 0.323 4.663 4.340 -0.000 0.000 0.309 248 R C -1.364 175.001 176.300 0.109 0.000 1.026 248 R CA -0.570 55.585 56.100 0.093 0.000 0.909 248 R CB 0.877 31.255 30.300 0.131 0.000 1.153 248 R HN 0.643 nan 8.270 nan 0.000 0.515 249 C N 5.150 124.507 119.300 0.095 0.000 2.573 249 C HA 0.061 4.521 4.460 -0.000 0.000 0.369 249 C C 2.078 177.141 174.990 0.123 0.000 1.205 249 C CA -0.640 58.440 59.018 0.103 0.000 1.535 249 C CB -0.808 26.993 27.740 0.101 0.000 2.159 249 C HN 0.736 nan 8.230 nan 0.000 0.558 250 V N 2.793 122.786 119.914 0.131 0.000 2.343 250 V HA -0.043 4.077 4.120 -0.000 0.000 0.247 250 V C 1.297 177.442 176.094 0.086 0.000 1.051 250 V CA 2.068 64.441 62.300 0.121 0.000 1.036 250 V CB -0.560 31.318 31.823 0.092 0.000 0.654 250 V HN 0.967 nan 8.190 nan 0.000 0.451 251 A N -0.955 121.934 122.820 0.116 0.000 2.574 251 A HA 0.709 5.029 4.320 -0.000 0.000 0.297 251 A C -1.147 176.564 177.584 0.212 0.000 1.062 251 A CA -0.650 51.477 52.037 0.149 0.000 0.686 251 A CB 1.429 20.538 19.000 0.182 0.000 1.285 251 A HN 0.278 nan 8.150 nan 0.000 0.403 252 Q N 0.558 120.469 119.800 0.186 0.000 2.331 252 Q HA 0.378 4.718 4.340 -0.000 0.000 0.267 252 Q C -1.731 174.377 176.000 0.180 0.000 1.006 252 Q CA -0.281 55.623 55.803 0.170 0.000 0.818 252 Q CB 2.106 30.902 28.738 0.096 0.000 1.276 252 Q HN 0.664 nan 8.270 nan 0.000 0.450 253 W N 1.683 122.889 121.300 -0.158 0.000 2.433 253 W HA 0.189 4.849 4.660 -0.000 0.000 0.331 253 W C 0.151 176.493 176.519 -0.295 0.000 1.110 253 W CA -0.328 56.893 57.345 -0.207 0.000 1.450 253 W CB 0.375 29.711 29.460 -0.206 0.000 1.348 253 W HN 0.758 nan 8.180 nan 0.000 0.415 254 S N 0.738 116.347 115.700 -0.150 0.000 3.787 254 S HA -0.128 4.342 4.470 -0.000 0.000 0.321 254 S C 0.762 175.332 174.600 -0.050 0.000 1.119 254 S CA 0.796 58.946 58.200 -0.083 0.000 0.918 254 S CB -1.435 61.834 63.200 0.115 0.000 0.913 254 S HN 0.743 nan 8.310 nan 0.000 0.506 255 G N 1.289 110.042 108.800 -0.078 0.000 2.930 255 G HA2 0.436 4.396 3.960 -0.000 0.000 0.209 255 G HA3 0.436 4.396 3.960 -0.000 0.000 0.209 255 G C -0.086 174.807 174.900 -0.012 0.000 2.018 255 G CA 0.291 45.334 45.100 -0.094 0.000 0.751 255 G HN 0.382 nan 8.290 nan 0.000 0.770 256 D N 0.755 121.197 120.400 0.070 0.000 3.060 256 D HA 0.379 5.019 4.640 -0.000 0.000 0.245 256 D C 0.833 177.237 176.300 0.173 0.000 1.274 256 D CA -0.214 53.945 54.000 0.264 0.000 0.864 256 D CB -0.548 40.642 40.800 0.650 0.000 1.073 256 D HN 0.348 nan 8.370 nan 0.000 0.473 257 G N 0.173 109.009 108.800 0.060 0.000 2.432 257 G HA2 0.421 4.380 3.960 -0.000 0.000 0.257 257 G HA3 0.421 4.380 3.960 -0.000 0.000 0.257 257 G C -0.031 174.854 174.900 -0.024 0.000 1.238 257 G CA -0.414 44.675 45.100 -0.017 0.000 0.838 257 G HN 0.278 nan 8.290 nan 0.000 0.547 258 S N 1.811 117.486 115.700 -0.041 0.000 2.607 258 S HA 0.388 4.858 4.470 -0.000 0.000 0.303 258 S C 1.315 175.868 174.600 -0.078 0.000 1.086 258 S CA -0.832 57.352 58.200 -0.028 0.000 0.995 258 S CB 1.835 65.038 63.200 0.005 0.000 1.084 258 S HN 0.627 nan 8.310 nan 0.000 0.507 259 I N 1.633 122.175 120.570 -0.045 0.000 2.264 259 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 259 I C 2.273 178.349 176.117 -0.069 0.000 1.111 259 I CA 2.076 63.340 61.300 -0.059 0.000 1.382 259 I CB -0.445 37.558 38.000 0.006 0.000 1.060 259 I HN 0.909 nan 8.210 nan 0.000 0.418 260 S N 1.725 117.401 115.700 -0.040 0.000 2.351 260 S HA -0.318 4.151 4.470 -0.000 0.000 0.220 260 S C 1.823 176.377 174.600 -0.077 0.000 1.035 260 S CA 1.649 59.826 58.200 -0.038 0.000 1.031 260 S CB -1.133 62.061 63.200 -0.010 0.000 0.928 260 S HN 0.771 nan 8.310 nan 0.000 0.433 261 E N 1.548 121.702 120.200 -0.076 0.000 2.204 261 E HA -0.110 4.239 4.350 -0.000 0.000 0.195 261 E C 2.084 178.620 176.600 -0.106 0.000 0.990 261 E CA 1.217 57.565 56.400 -0.087 0.000 0.821 261 E CB -0.668 29.011 29.700 -0.036 0.000 0.750 261 E HN 0.626 nan 8.360 nan 0.000 0.477 262 I N 1.449 121.900 120.570 -0.198 0.000 2.252 262 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 262 I C 2.226 178.283 176.117 -0.100 0.000 1.102 262 I CA 1.374 62.478 61.300 -0.325 0.000 1.385 262 I CB -0.254 37.397 38.000 -0.583 0.000 1.064 262 I HN 0.122 nan 8.210 nan 0.000 0.414 263 E N 0.425 120.570 120.200 -0.092 0.000 2.204 263 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 263 E C 2.032 178.577 176.600 -0.092 0.000 0.989 263 E CA 0.875 57.246 56.400 -0.048 0.000 0.824 263 E CB 0.026 29.706 29.700 -0.032 0.000 0.756 263 E HN 0.271 nan 8.360 nan 0.000 0.477 264 L N 0.663 121.793 121.223 -0.154 0.000 2.156 264 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 264 L C 2.239 178.959 176.870 -0.249 0.000 1.095 264 L CA 1.562 56.212 54.840 -0.316 0.000 0.770 264 L CB -0.905 40.862 42.059 -0.487 0.000 0.914 264 L HN 0.084 nan 8.230 nan 0.000 0.439 265 T N 0.176 114.693 114.554 -0.062 0.000 2.684 265 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 265 T C -0.533 174.098 174.700 -0.115 0.000 1.032 265 T CA 1.827 63.946 62.100 0.031 0.000 1.155 265 T CB -1.268 67.818 68.868 0.364 0.000 0.857 265 T HN 0.242 nan 8.240 nan 0.000 0.457 266 P HA -0.005 nan 4.420 nan 0.000 0.236 266 P C 0.993 178.103 177.300 -0.317 0.000 1.172 266 P CA 0.886 63.635 63.100 -0.585 0.000 0.759 266 P CB 0.015 31.038 31.700 -1.128 0.000 0.843 267 K N -1.144 119.160 120.400 -0.159 0.000 2.358 267 K HA 0.137 4.456 4.320 -0.000 0.000 0.197 267 K C 0.662 177.304 176.600 0.070 0.000 1.025 267 K CA 0.058 56.342 56.287 -0.005 0.000 1.104 267 K CB -0.139 32.407 32.500 0.076 0.000 0.855 267 K HN 0.120 nan 8.250 nan 0.000 0.531 268 V N -0.216 119.713 119.914 0.025 0.000 2.775 268 V HA 0.217 4.337 4.120 -0.000 0.000 0.299 268 V C 1.129 177.268 176.094 0.075 0.000 1.062 268 V CA -0.510 61.836 62.300 0.077 0.000 1.063 268 V CB 1.110 32.967 31.823 0.057 0.000 0.994 268 V HN -0.105 nan 8.190 nan 0.000 0.483 269 K N 1.913 122.378 120.400 0.107 0.000 2.228 269 K HA 0.285 4.605 4.320 -0.000 0.000 0.202 269 K C 0.015 176.642 176.600 0.045 0.000 1.051 269 K CA 0.806 57.138 56.287 0.074 0.000 0.960 269 K CB -0.242 32.318 32.500 0.100 0.000 0.743 269 K HN 0.735 nan 8.250 nan 0.000 0.458 270 L N -0.203 121.076 121.223 0.093 0.000 2.505 270 L HA 0.326 4.666 4.340 -0.000 0.000 0.259 270 L C -1.914 175.008 176.870 0.087 0.000 0.952 270 L CA -0.462 54.421 54.840 0.073 0.000 0.840 270 L CB 2.041 44.139 42.059 0.065 0.000 1.358 270 L HN -0.089 nan 8.230 nan 0.000 0.409 271 N N 4.011 122.761 118.700 0.084 0.000 2.444 271 N HA 0.629 5.369 4.740 -0.000 0.000 0.262 271 N C -1.358 174.221 175.510 0.115 0.000 0.974 271 N CA -0.503 52.582 53.050 0.057 0.000 0.933 271 N CB 1.262 39.753 38.487 0.007 0.000 1.137 271 N HN 0.512 nan 8.380 nan 0.000 0.498 272 L N 3.155 124.428 121.223 0.084 0.000 2.259 272 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 272 L C -0.515 176.542 176.870 0.311 0.000 1.051 272 L CA -0.857 54.075 54.840 0.153 0.000 0.824 272 L CB 0.749 42.745 42.059 -0.105 0.000 1.206 272 L HN 0.200 nan 8.230 nan 0.000 0.429 273 V N 3.039 123.145 119.914 0.321 0.000 2.385 273 V HA 0.110 4.230 4.120 -0.000 0.000 0.269 273 V C 0.782 176.860 176.094 -0.028 0.000 1.043 273 V CA -0.375 62.011 62.300 0.143 0.000 0.906 273 V CB 0.977 32.878 31.823 0.129 0.000 0.995 273 V HN 0.730 nan 8.190 nan 0.000 0.467 274 H N 3.300 122.199 119.070 -0.284 0.000 2.316 274 H HA 0.073 4.629 4.556 -0.000 0.000 0.314 274 H C 1.212 176.409 175.328 -0.218 0.000 1.057 274 H CA 1.094 56.805 56.048 -0.561 0.000 1.402 274 H CB 0.652 30.067 29.762 -0.579 0.000 1.443 274 H HN 0.626 nan 8.280 nan 0.000 0.559 275 C N 2.967 122.309 119.300 0.070 0.000 2.345 275 C HA 0.071 4.531 4.460 -0.000 0.000 0.349 275 C C 1.755 176.721 174.990 -0.041 0.000 1.130 275 C CA -0.644 58.410 59.018 0.060 0.000 1.574 275 C CB -2.445 25.392 27.740 0.161 0.000 2.108 275 C HN 0.563 nan 8.230 nan 0.000 0.516 276 Y N 4.508 124.696 120.300 -0.187 0.000 2.049 276 Y HA -0.184 4.366 4.550 -0.000 0.000 0.277 276 Y C 2.494 178.242 175.900 -0.253 0.000 1.143 276 Y CA 2.459 60.428 58.100 -0.219 0.000 1.115 276 Y CB -0.364 37.969 38.460 -0.212 0.000 0.975 276 Y HN 0.682 nan 8.280 nan 0.000 0.487 277 R N 0.756 121.154 120.500 -0.170 0.000 2.153 277 R HA -0.196 4.144 4.340 -0.000 0.000 0.252 277 R C 2.212 178.441 176.300 -0.118 0.000 1.158 277 R CA 2.291 58.273 56.100 -0.195 0.000 0.975 277 R CB -0.874 29.468 30.300 0.070 0.000 0.871 277 R HN 0.573 nan 8.270 nan 0.000 0.450 278 S N -2.150 113.479 115.700 -0.118 0.000 2.456 278 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 278 S C 1.622 176.202 174.600 -0.032 0.000 1.035 278 S CA 0.436 58.542 58.200 -0.156 0.000 0.940 278 S CB 0.277 63.167 63.200 -0.517 0.000 0.799 278 S HN 0.169 nan 8.310 nan 0.000 0.508 279 M N 2.735 122.211 119.600 -0.207 0.000 2.331 279 M HA 0.229 4.709 4.480 -0.000 0.000 0.266 279 M C 1.747 177.742 176.300 -0.507 0.000 1.055 279 M CA 0.230 55.388 55.300 -0.237 0.000 1.048 279 M CB -0.922 31.533 32.600 -0.242 0.000 1.460 279 M HN 0.594 nan 8.290 nan 0.000 0.519 280 N N 1.230 119.415 118.700 -0.858 0.000 2.184 280 N HA -0.250 4.489 4.740 -0.000 0.000 0.190 280 N C 1.374 176.351 175.510 -0.888 0.000 1.011 280 N CA 1.674 54.043 53.050 -1.136 0.000 0.867 280 N CB -0.643 36.936 38.487 -1.512 0.000 0.993 280 N HN 0.326 nan 8.380 nan 0.000 0.433 281 Y N 1.017 121.039 120.300 -0.464 0.000 2.049 281 Y HA -0.136 4.414 4.550 -0.000 0.000 0.277 281 Y C 2.679 178.454 175.900 -0.209 0.000 1.143 281 Y CA 1.079 58.998 58.100 -0.302 0.000 1.115 281 Y CB -0.870 37.459 38.460 -0.218 0.000 0.975 281 Y HN 0.043 nan 8.280 nan 0.000 0.487 282 I N -0.158 120.411 120.570 -0.002 0.000 2.361 282 I HA -0.260 3.909 4.170 -0.000 0.000 0.251 282 I C 2.183 178.187 176.117 -0.188 0.000 1.133 282 I CA 1.246 62.533 61.300 -0.022 0.000 1.413 282 I CB -0.605 37.384 38.000 -0.017 0.000 1.073 282 I HN 0.118 nan 8.210 nan 0.000 0.424 283 S N 0.518 115.932 115.700 -0.478 0.000 2.359 283 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 283 S C 2.077 176.321 174.600 -0.594 0.000 1.035 283 S CA 1.383 59.148 58.200 -0.724 0.000 1.018 283 S CB -0.411 61.987 63.200 -1.336 0.000 0.876 283 S HN 0.474 nan 8.310 nan 0.000 0.448 284 R N 0.305 120.502 120.500 -0.505 0.000 2.081 284 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 284 R C 2.451 178.774 176.300 0.039 0.000 1.131 284 R CA 1.398 57.457 56.100 -0.068 0.000 0.960 284 R CB -0.583 29.713 30.300 -0.006 0.000 0.856 284 R HN 0.581 nan 8.270 nan 0.000 0.436 285 H N 1.067 120.115 119.070 -0.036 0.000 2.321 285 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 285 H C 1.942 177.298 175.328 0.047 0.000 1.087 285 H CA 1.793 57.852 56.048 0.018 0.000 1.319 285 H CB 0.036 29.825 29.762 0.045 0.000 1.379 285 H HN 0.149 nan 8.280 nan 0.000 0.501 286 M N 0.398 119.961 119.600 -0.061 0.000 2.213 286 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 286 M C 2.403 178.738 176.300 0.058 0.000 1.062 286 M CA 1.571 56.909 55.300 0.064 0.000 1.105 286 M CB -0.213 32.439 32.600 0.087 0.000 1.385 286 M HN 0.412 nan 8.290 nan 0.000 0.417 287 E N 1.249 121.484 120.200 0.058 0.000 2.005 287 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 287 E C 1.784 178.390 176.600 0.010 0.000 0.987 287 E CA 1.553 58.017 56.400 0.106 0.000 0.814 287 E CB -0.093 29.757 29.700 0.251 0.000 0.772 287 E HN 0.613 nan 8.360 nan 0.000 0.453 288 E N 0.632 120.824 120.200 -0.014 0.000 2.219 288 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 288 E C 2.004 178.519 176.600 -0.143 0.000 0.998 288 E CA 1.244 57.613 56.400 -0.051 0.000 0.818 288 E CB -0.127 29.562 29.700 -0.019 0.000 0.741 288 E HN 0.149 nan 8.360 nan 0.000 0.477 289 K N 0.220 120.445 120.400 -0.292 0.000 2.159 289 K HA -0.021 4.299 4.320 -0.000 0.000 0.210 289 K C 1.508 177.860 176.600 -0.413 0.000 1.026 289 K CA 0.465 56.471 56.287 -0.467 0.000 0.959 289 K CB -0.031 31.937 32.500 -0.886 0.000 0.890 289 K HN 0.077 nan 8.250 nan 0.000 0.459 290 Y N 0.435 120.668 120.300 -0.112 0.000 2.529 290 Y HA 0.222 4.772 4.550 -0.000 0.000 0.290 290 Y C 1.176 177.057 175.900 -0.031 0.000 1.177 290 Y CA 0.546 58.616 58.100 -0.051 0.000 1.305 290 Y CB 0.222 38.661 38.460 -0.035 0.000 1.047 290 Y HN 0.521 nan 8.280 nan 0.000 0.522 291 G N 1.104 109.942 108.800 0.062 0.000 2.179 291 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 291 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 291 G C 0.017 174.955 174.900 0.064 0.000 1.010 291 G CA 0.108 45.235 45.100 0.045 0.000 0.736 291 G HN 0.397 nan 8.290 nan 0.000 0.513 292 I N 2.740 123.371 120.570 0.102 0.000 2.322 292 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 292 I C -1.322 174.860 176.117 0.109 0.000 1.060 292 I CA -2.087 59.266 61.300 0.088 0.000 1.309 292 I CB 0.954 39.005 38.000 0.086 0.000 1.415 292 I HN -0.023 nan 8.210 nan 0.000 0.492 293 P HA 0.037 nan 4.420 nan 0.000 0.272 293 P C -1.238 176.130 177.300 0.114 0.000 1.223 293 P CA -0.055 63.061 63.100 0.026 0.000 0.784 293 P CB 0.685 32.345 31.700 -0.068 0.000 0.923 294 W N 3.478 124.750 121.300 -0.047 0.000 3.022 294 W HA 0.648 5.307 4.660 -0.000 0.000 0.335 294 W C -1.425 175.080 176.519 -0.023 0.000 1.133 294 W CA -1.372 55.947 57.345 -0.043 0.000 1.219 294 W CB 1.032 30.454 29.460 -0.062 0.000 1.409 294 W HN 0.341 nan 8.180 nan 0.000 0.507 295 M N 0.901 120.601 119.600 0.167 0.000 2.550 295 M HA 0.595 5.075 4.480 -0.000 0.000 0.292 295 M C -1.181 175.267 176.300 0.247 0.000 1.221 295 M CA -0.678 54.649 55.300 0.045 0.000 0.873 295 M CB 3.240 35.833 32.600 -0.012 0.000 1.727 295 M HN 0.451 nan 8.290 nan 0.000 0.459 296 E N 1.294 121.608 120.200 0.191 0.000 2.314 296 E HA 0.643 4.993 4.350 -0.000 0.000 0.262 296 E C -1.602 175.118 176.600 0.200 0.000 1.093 296 E CA -0.431 56.089 56.400 0.201 0.000 0.908 296 E CB 1.328 31.102 29.700 0.124 0.000 1.091 296 E HN 0.665 nan 8.360 nan 0.000 0.425 297 Y N -1.041 119.225 120.300 -0.056 0.000 2.713 297 Y HA 0.559 5.109 4.550 -0.000 0.000 0.335 297 Y C -1.731 173.992 175.900 -0.294 0.000 1.222 297 Y CA -1.379 56.636 58.100 -0.141 0.000 1.061 297 Y CB 1.293 39.642 38.460 -0.186 0.000 1.314 297 Y HN 0.397 nan 8.280 nan 0.000 0.453 298 N N 0.672 119.211 118.700 -0.269 0.000 2.260 298 N HA 0.418 5.158 4.740 -0.000 0.000 0.293 298 N C -1.778 173.704 175.510 -0.047 0.000 1.058 298 N CA -0.953 51.702 53.050 -0.658 0.000 0.824 298 N CB 1.228 39.236 38.487 -0.798 0.000 1.551 298 N HN 0.661 nan 8.380 nan 0.000 0.475 299 F N 1.521 121.212 119.950 -0.431 0.000 2.683 299 F HA 0.440 4.967 4.527 -0.000 0.000 0.306 299 F C -0.313 175.132 175.800 -0.591 0.000 1.102 299 F CA -0.749 56.990 58.000 -0.434 0.000 1.244 299 F CB -0.265 38.521 39.000 -0.356 0.000 1.029 299 F HN 0.352 nan 8.300 nan 0.000 0.545 300 F N 1.222 121.026 119.950 -0.244 0.000 2.423 300 F HA 0.527 5.054 4.527 -0.000 0.000 0.356 300 F C 0.940 176.506 175.800 -0.390 0.000 1.170 300 F CA -0.371 57.444 58.000 -0.308 0.000 1.163 300 F CB 0.142 38.972 39.000 -0.283 0.000 1.318 300 F HN 0.150 nan 8.300 nan 0.000 0.569 301 G N 4.615 113.224 108.800 -0.318 0.000 2.675 301 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 301 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 301 G C -2.239 172.226 174.900 -0.724 0.000 1.215 301 G CA -0.909 43.855 45.100 -0.561 0.000 0.777 301 G HN 0.334 nan 8.290 nan 0.000 0.638 302 P HA -0.185 nan 4.420 nan 0.000 0.214 302 P C 2.152 179.026 177.300 -0.711 0.000 1.163 302 P CA 3.202 65.737 63.100 -0.942 0.000 0.883 302 P CB -0.350 30.363 31.700 -1.646 0.000 0.788 303 T N -1.069 113.110 114.554 -0.625 0.000 2.635 303 T HA -0.185 4.164 4.350 -0.000 0.000 0.267 303 T C 1.930 176.461 174.700 -0.282 0.000 1.040 303 T CA 1.283 63.156 62.100 -0.378 0.000 1.156 303 T CB -0.882 67.830 68.868 -0.260 0.000 0.863 303 T HN 0.005 nan 8.240 nan 0.000 0.430 304 K N 0.941 121.173 120.400 -0.280 0.000 2.057 304 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 304 K C 2.694 179.177 176.600 -0.195 0.000 1.049 304 K CA 1.667 57.830 56.287 -0.208 0.000 0.931 304 K CB -1.217 31.159 32.500 -0.207 0.000 0.714 304 K HN 0.501 nan 8.250 nan 0.000 0.440 305 T N 2.283 116.625 114.554 -0.353 0.000 2.622 305 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 305 T C 2.116 176.609 174.700 -0.346 0.000 1.047 305 T CA 1.437 63.225 62.100 -0.520 0.000 1.159 305 T CB -0.300 67.878 68.868 -1.149 0.000 0.863 305 T HN 0.135 nan 8.240 nan 0.000 0.422 306 I N 0.994 121.398 120.570 -0.276 0.000 2.151 306 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 306 I C 2.766 178.851 176.117 -0.055 0.000 1.080 306 I CA 1.612 62.858 61.300 -0.090 0.000 1.339 306 I CB -0.484 37.477 38.000 -0.065 0.000 1.039 306 I HN 0.392 nan 8.210 nan 0.000 0.409 307 E N 1.046 121.201 120.200 -0.075 0.000 2.049 307 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 307 E C 2.245 178.850 176.600 0.008 0.000 1.007 307 E CA 2.127 58.505 56.400 -0.036 0.000 0.809 307 E CB 0.051 29.719 29.700 -0.054 0.000 0.749 307 E HN 0.420 nan 8.360 nan 0.000 0.450 308 S N 0.823 116.550 115.700 0.045 0.000 2.348 308 S HA -0.143 4.327 4.470 -0.000 0.000 0.221 308 S C 2.049 176.713 174.600 0.107 0.000 1.033 308 S CA 1.153 59.429 58.200 0.126 0.000 1.010 308 S CB -0.381 63.007 63.200 0.313 0.000 0.891 308 S HN 0.272 nan 8.310 nan 0.000 0.442 309 L N 1.030 122.316 121.223 0.106 0.000 2.051 309 L HA -0.226 4.114 4.340 -0.000 0.000 0.214 309 L C 2.801 179.701 176.870 0.049 0.000 1.076 309 L CA 1.510 56.390 54.840 0.067 0.000 0.758 309 L CB -0.470 41.597 42.059 0.014 0.000 0.890 309 L HN 0.273 nan 8.230 nan 0.000 0.433 310 R N -0.475 120.049 120.500 0.040 0.000 2.062 310 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 310 R C 2.451 178.779 176.300 0.045 0.000 1.136 310 R CA 1.247 57.370 56.100 0.038 0.000 0.948 310 R CB -0.576 29.740 30.300 0.027 0.000 0.845 310 R HN 0.340 nan 8.270 nan 0.000 0.430 311 A N 1.357 124.200 122.820 0.038 0.000 1.948 311 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 311 A C 2.155 179.771 177.584 0.054 0.000 1.177 311 A CA 1.443 53.500 52.037 0.034 0.000 0.636 311 A CB -0.584 18.431 19.000 0.024 0.000 0.815 311 A HN 0.213 nan 8.150 nan 0.000 0.449 312 I N -0.599 120.011 120.570 0.068 0.000 2.193 312 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 312 I C 2.961 179.224 176.117 0.243 0.000 1.084 312 I CA 0.995 62.365 61.300 0.116 0.000 1.365 312 I CB -0.427 37.597 38.000 0.041 0.000 1.064 312 I HN 0.330 nan 8.210 nan 0.000 0.410 313 A N 0.856 123.774 122.820 0.162 0.000 1.978 313 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 313 A C 2.475 180.201 177.584 0.237 0.000 1.170 313 A CA 1.749 53.896 52.037 0.183 0.000 0.636 313 A CB -0.761 18.278 19.000 0.064 0.000 0.810 313 A HN 0.452 nan 8.150 nan 0.000 0.448 314 A N -0.351 122.556 122.820 0.145 0.000 2.070 314 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 314 A C 1.808 179.434 177.584 0.070 0.000 1.159 314 A CA 1.508 53.599 52.037 0.090 0.000 0.656 314 A CB -0.223 18.804 19.000 0.044 0.000 0.800 314 A HN 0.359 nan 8.150 nan 0.000 0.453 315 K N -1.031 119.416 120.400 0.077 0.000 2.459 315 K HA 0.191 4.511 4.320 -0.000 0.000 0.193 315 K C -0.361 176.044 176.600 -0.324 0.000 1.030 315 K CA 0.257 56.462 56.287 -0.137 0.000 1.026 315 K CB -0.279 32.083 32.500 -0.230 0.000 0.809 315 K HN 0.509 nan 8.250 nan 0.000 0.504 316 F N 0.826 120.805 119.950 0.050 0.000 2.732 316 F HA 0.159 4.686 4.527 -0.000 0.000 0.394 316 F C 0.859 176.708 175.800 0.082 0.000 1.194 316 F CA -1.493 56.565 58.000 0.096 0.000 1.127 316 F CB 0.257 39.349 39.000 0.154 0.000 1.470 316 F HN -0.106 nan 8.300 nan 0.000 0.505 317 D N -0.682 119.936 120.400 0.363 0.000 2.440 317 D HA 0.194 4.834 4.640 -0.000 0.000 0.269 317 D C 0.432 176.818 176.300 0.144 0.000 1.249 317 D CA -0.306 53.819 54.000 0.210 0.000 1.055 317 D CB 0.419 41.349 40.800 0.217 0.000 1.104 317 D HN 0.541 nan 8.370 nan 0.000 0.561 318 E N -0.821 119.434 120.200 0.093 0.000 2.106 318 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 318 E C 2.088 178.701 176.600 0.021 0.000 0.984 318 E CA 1.494 57.925 56.400 0.052 0.000 0.806 318 E CB -0.118 29.606 29.700 0.040 0.000 0.750 318 E HN 0.525 nan 8.360 nan 0.000 0.458 319 S N 0.858 116.566 115.700 0.013 0.000 2.374 319 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 319 S C 1.968 176.501 174.600 -0.111 0.000 1.037 319 S CA 0.933 59.105 58.200 -0.047 0.000 1.024 319 S CB -0.315 62.850 63.200 -0.058 0.000 0.861 319 S HN 0.088 nan 8.310 nan 0.000 0.456 320 I N 2.574 123.058 120.570 -0.143 0.000 2.163 320 I HA -0.147 4.023 4.170 -0.000 0.000 0.240 320 I C 2.931 178.998 176.117 -0.082 0.000 1.081 320 I CA 1.473 62.655 61.300 -0.197 0.000 1.353 320 I CB -1.740 36.131 38.000 -0.215 0.000 1.054 320 I HN 0.453 nan 8.210 nan 0.000 0.407 321 Q N 0.428 120.224 119.800 -0.008 0.000 2.096 321 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 321 Q C 2.269 178.270 176.000 0.000 0.000 0.982 321 Q CA 1.800 57.612 55.803 0.015 0.000 0.850 321 Q CB -0.237 28.525 28.738 0.040 0.000 0.901 321 Q HN 0.441 nan 8.270 nan 0.000 0.422 322 K N 1.283 121.678 120.400 -0.009 0.000 2.026 322 K HA -0.179 4.140 4.320 -0.000 0.000 0.208 322 K C 1.890 178.480 176.600 -0.017 0.000 1.048 322 K CA 1.314 57.595 56.287 -0.010 0.000 0.929 322 K CB 0.098 32.590 32.500 -0.013 0.000 0.713 322 K HN 0.009 nan 8.250 nan 0.000 0.439 323 K N 0.357 120.734 120.400 -0.039 0.000 2.057 323 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 323 K C 2.367 178.958 176.600 -0.014 0.000 1.049 323 K CA 1.365 57.628 56.287 -0.040 0.000 0.931 323 K CB -0.426 32.026 32.500 -0.081 0.000 0.714 323 K HN 0.332 nan 8.250 nan 0.000 0.440 324 C N 2.070 121.360 119.300 -0.016 0.000 2.385 324 C HA -0.167 4.293 4.460 -0.000 0.000 0.275 324 C C 2.415 177.427 174.990 0.037 0.000 1.207 324 C CA 1.327 60.353 59.018 0.013 0.000 1.760 324 C CB -0.658 27.089 27.740 0.012 0.000 2.051 324 C HN 0.417 nan 8.230 nan 0.000 0.467 325 E N 0.630 120.845 120.200 0.026 0.000 2.110 325 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 325 E C 2.039 178.656 176.600 0.029 0.000 0.988 325 E CA 1.505 57.924 56.400 0.030 0.000 0.804 325 E CB -0.615 29.096 29.700 0.019 0.000 0.745 325 E HN 0.770 nan 8.360 nan 0.000 0.458 326 E N 0.402 120.612 120.200 0.017 0.000 2.077 326 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 326 E C 2.243 178.859 176.600 0.027 0.000 0.989 326 E CA 1.145 57.550 56.400 0.008 0.000 0.800 326 E CB -0.015 29.683 29.700 -0.004 0.000 0.746 326 E HN 0.030 nan 8.360 nan 0.000 0.452 327 V N 1.571 121.526 119.914 0.068 0.000 2.261 327 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 327 V C 2.290 178.494 176.094 0.183 0.000 1.047 327 V CA 1.648 64.043 62.300 0.159 0.000 1.015 327 V CB -0.445 31.487 31.823 0.183 0.000 0.642 327 V HN 0.262 nan 8.190 nan 0.000 0.446 328 I N 0.530 121.182 120.570 0.136 0.000 2.194 328 I HA -0.299 3.870 4.170 -0.000 0.000 0.246 328 I C 2.664 178.813 176.117 0.053 0.000 1.093 328 I CA 1.643 63.009 61.300 0.111 0.000 1.355 328 I CB -0.632 37.434 38.000 0.111 0.000 1.046 328 I HN 0.315 nan 8.210 nan 0.000 0.413 329 A N 0.756 123.593 122.820 0.028 0.000 1.877 329 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 329 A C 2.418 179.959 177.584 -0.073 0.000 1.186 329 A CA 1.961 53.988 52.037 -0.016 0.000 0.620 329 A CB -0.589 18.399 19.000 -0.020 0.000 0.822 329 A HN 0.363 nan 8.150 nan 0.000 0.443 330 K N -1.452 118.892 120.400 -0.092 0.000 2.020 330 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 330 K C 1.697 178.096 176.600 -0.336 0.000 1.050 330 K CA 2.116 58.271 56.287 -0.220 0.000 0.929 330 K CB -0.391 31.945 32.500 -0.274 0.000 0.714 330 K HN 0.526 nan 8.250 nan 0.000 0.443 331 Y N 1.037 121.212 120.300 -0.209 0.000 2.561 331 Y HA -0.009 4.541 4.550 -0.000 0.000 0.291 331 Y C 2.228 177.951 175.900 -0.294 0.000 1.141 331 Y CA 0.749 58.651 58.100 -0.330 0.000 1.303 331 Y CB 0.005 37.996 38.460 -0.782 0.000 1.015 331 Y HN 0.140 nan 8.280 nan 0.000 0.547 332 K N 0.793 121.110 120.400 -0.138 0.000 2.001 332 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 332 K C -0.876 175.340 176.600 -0.639 0.000 1.050 332 K CA 1.920 58.016 56.287 -0.319 0.000 0.934 332 K CB -1.050 31.368 32.500 -0.138 0.000 0.718 332 K HN 0.150 nan 8.250 nan 0.000 0.443 333 P HA -0.147 nan 4.420 nan 0.000 0.218 333 P C 0.407 177.546 177.300 -0.268 0.000 1.148 333 P CA 1.391 64.305 63.100 -0.310 0.000 0.822 333 P CB 0.059 31.640 31.700 -0.198 0.000 0.784 334 E N -0.645 119.444 120.200 -0.185 0.000 2.001 334 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 334 E C 2.107 178.754 176.600 0.078 0.000 0.994 334 E CA 1.177 57.569 56.400 -0.013 0.000 0.815 334 E CB -0.864 28.905 29.700 0.115 0.000 0.770 334 E HN 0.440 nan 8.360 nan 0.000 0.453 335 W N 1.790 123.166 121.300 0.126 0.000 2.364 335 W HA -0.145 4.515 4.660 -0.000 0.000 0.281 335 W C 1.460 178.116 176.519 0.228 0.000 1.219 335 W CA 0.970 58.480 57.345 0.275 0.000 1.220 335 W CB -0.541 29.058 29.460 0.232 0.000 1.127 335 W HN 0.129 nan 8.180 nan 0.000 0.556 336 E N 1.410 121.202 120.200 -0.680 0.000 2.051 336 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 336 E C 2.647 179.135 176.600 -0.187 0.000 0.991 336 E CA 2.124 58.110 56.400 -0.691 0.000 0.799 336 E CB -0.406 28.782 29.700 -0.853 0.000 0.748 336 E HN 0.193 nan 8.360 nan 0.000 0.449 337 A N 0.141 122.881 122.820 -0.133 0.000 1.933 337 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 337 A C 2.375 179.983 177.584 0.040 0.000 1.175 337 A CA 1.378 53.386 52.037 -0.049 0.000 0.628 337 A CB -0.622 18.350 19.000 -0.046 0.000 0.814 337 A HN 0.204 nan 8.150 nan 0.000 0.444 338 V N 0.318 120.325 119.914 0.156 0.000 2.233 338 V HA -0.278 3.841 4.120 -0.000 0.000 0.247 338 V C 2.788 179.055 176.094 0.289 0.000 1.050 338 V CA 2.195 64.650 62.300 0.258 0.000 1.010 338 V CB -1.204 30.812 31.823 0.322 0.000 0.637 338 V HN 0.622 nan 8.190 nan 0.000 0.444 339 V N -0.244 119.895 119.914 0.375 0.000 2.407 339 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 339 V C 2.494 178.690 176.094 0.169 0.000 1.055 339 V CA 2.019 64.525 62.300 0.344 0.000 1.049 339 V CB -1.421 30.663 31.823 0.434 0.000 0.662 339 V HN 0.406 nan 8.190 nan 0.000 0.455 340 A N 0.343 123.215 122.820 0.087 0.000 1.940 340 A HA -0.245 4.074 4.320 -0.000 0.000 0.219 340 A C 2.442 180.004 177.584 -0.036 0.000 1.176 340 A CA 2.486 54.530 52.037 0.011 0.000 0.631 340 A CB -0.589 18.392 19.000 -0.032 0.000 0.814 340 A HN 0.696 nan 8.150 nan 0.000 0.446 341 K N -2.093 118.252 120.400 -0.093 0.000 2.078 341 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 341 K C 1.824 178.232 176.600 -0.319 0.000 1.043 341 K CA 1.108 57.233 56.287 -0.271 0.000 0.960 341 K CB -0.201 32.010 32.500 -0.482 0.000 0.761 341 K HN 0.471 nan 8.250 nan 0.000 0.448 342 Y N 0.827 121.119 120.300 -0.013 0.000 2.314 342 Y HA 0.061 4.611 4.550 -0.000 0.000 0.294 342 Y C 2.490 178.386 175.900 -0.006 0.000 1.119 342 Y CA 0.908 58.988 58.100 -0.033 0.000 1.179 342 Y CB -0.326 38.077 38.460 -0.095 0.000 1.025 342 Y HN 0.059 nan 8.280 nan 0.000 0.541 343 R N 0.490 121.091 120.500 0.169 0.000 2.113 343 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 343 R C -0.857 175.494 176.300 0.085 0.000 1.142 343 R CA 2.245 58.425 56.100 0.133 0.000 0.953 343 R CB -1.357 29.028 30.300 0.143 0.000 0.860 343 R HN 0.207 nan 8.270 nan 0.000 0.438 344 P HA -0.147 nan 4.420 nan 0.000 0.218 344 P C 0.498 177.820 177.300 0.036 0.000 1.148 344 P CA 1.610 64.730 63.100 0.033 0.000 0.822 344 P CB -0.067 31.638 31.700 0.008 0.000 0.784 345 R N -1.165 119.362 120.500 0.045 0.000 2.193 345 R HA 0.112 4.452 4.340 -0.000 0.000 0.213 345 R C 1.544 177.878 176.300 0.056 0.000 1.055 345 R CA 0.815 56.946 56.100 0.052 0.000 0.995 345 R CB -0.333 30.011 30.300 0.073 0.000 0.893 345 R HN 0.274 nan 8.270 nan 0.000 0.459 346 L N -0.037 121.224 121.223 0.062 0.000 2.858 346 L HA 0.203 4.543 4.340 -0.000 0.000 0.251 346 L C 0.130 177.034 176.870 0.057 0.000 1.149 346 L CA -0.399 54.472 54.840 0.051 0.000 0.955 346 L CB 0.336 42.419 42.059 0.042 0.000 1.289 346 L HN -0.046 nan 8.230 nan 0.000 0.542 347 E N 1.395 121.629 120.200 0.057 0.000 2.558 347 E HA 0.135 4.485 4.350 -0.000 0.000 0.255 347 E C 1.388 178.013 176.600 0.042 0.000 0.968 347 E CA 1.211 57.644 56.400 0.054 0.000 0.939 347 E CB 0.342 30.070 29.700 0.046 0.000 0.921 347 E HN 0.334 nan 8.360 nan 0.000 0.477 348 G N 4.054 112.880 108.800 0.043 0.000 2.196 348 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.268 348 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.268 348 G C -0.079 174.833 174.900 0.020 0.000 0.975 348 G CA 0.569 45.687 45.100 0.029 0.000 0.648 348 G HN 0.449 nan 8.290 nan 0.000 0.538 349 K N 1.087 121.503 120.400 0.026 0.000 2.379 349 K HA 0.264 4.584 4.320 -0.000 0.000 0.284 349 K C 0.985 177.586 176.600 0.000 0.000 1.044 349 K CA -0.134 56.158 56.287 0.008 0.000 0.974 349 K CB 0.610 33.117 32.500 0.011 0.000 0.962 349 K HN 0.455 nan 8.250 nan 0.000 0.474 350 R N 1.266 121.748 120.500 -0.030 0.000 2.390 350 R HA 0.321 4.661 4.340 -0.000 0.000 0.291 350 R C -0.158 176.086 176.300 -0.093 0.000 1.070 350 R CA -0.496 55.572 56.100 -0.055 0.000 1.014 350 R CB 0.734 31.000 30.300 -0.057 0.000 1.007 350 R HN 0.202 nan 8.270 nan 0.000 0.466 351 V N 4.171 124.001 119.914 -0.139 0.000 2.789 351 V HA 0.430 4.550 4.120 -0.000 0.000 0.311 351 V C -0.185 175.779 176.094 -0.216 0.000 1.073 351 V CA -0.802 61.366 62.300 -0.220 0.000 0.921 351 V CB 2.099 33.679 31.823 -0.405 0.000 1.009 351 V HN 0.700 nan 8.190 nan 0.000 0.426 352 M N 4.679 124.173 119.600 -0.176 0.000 2.456 352 M HA 0.695 5.174 4.480 -0.000 0.000 0.324 352 M C -1.288 175.001 176.300 -0.018 0.000 1.124 352 M CA -0.403 54.865 55.300 -0.053 0.000 0.959 352 M CB 2.146 34.755 32.600 0.015 0.000 1.692 352 M HN 0.450 nan 8.290 nan 0.000 0.444 353 L N 1.605 122.869 121.223 0.067 0.000 2.303 353 L HA 0.692 5.032 4.340 -0.000 0.000 0.256 353 L C -1.638 175.360 176.870 0.213 0.000 1.034 353 L CA -1.038 53.836 54.840 0.056 0.000 0.832 353 L CB 2.400 44.375 42.059 -0.139 0.000 1.403 353 L HN 0.616 nan 8.230 nan 0.000 0.419 354 Y N 1.516 121.787 120.300 -0.047 0.000 2.264 354 Y HA 0.583 5.133 4.550 -0.000 0.000 0.315 354 Y C -1.474 174.365 175.900 -0.102 0.000 1.262 354 Y CA -0.681 57.354 58.100 -0.108 0.000 1.176 354 Y CB 0.727 39.023 38.460 -0.274 0.000 1.283 354 Y HN 0.427 nan 8.280 nan 0.000 0.405 355 I N 2.302 122.478 120.570 -0.657 0.000 3.784 355 I HA 0.650 4.820 4.170 -0.000 0.000 0.282 355 I C 1.071 176.841 176.117 -0.577 0.000 1.135 355 I CA -0.804 60.149 61.300 -0.578 0.000 1.237 355 I CB 0.514 38.164 38.000 -0.583 0.000 1.324 355 I HN 0.606 nan 8.210 nan 0.000 0.437 356 G N -0.067 108.484 108.800 -0.415 0.000 2.622 356 G HA2 0.313 4.273 3.960 -0.000 0.000 0.206 356 G HA3 0.313 4.273 3.960 -0.000 0.000 0.206 356 G C 0.703 174.980 174.900 -1.037 0.000 1.458 356 G CA 0.772 45.562 45.100 -0.516 0.000 0.919 356 G HN 0.862 nan 8.290 nan 0.000 0.508 357 G N -1.248 107.234 108.800 -0.529 0.000 5.252 357 G HA2 0.475 4.435 3.960 -0.000 0.000 0.214 357 G HA3 0.475 4.435 3.960 -0.000 0.000 0.214 357 G C -0.184 174.734 174.900 0.030 0.000 0.817 357 G CA 0.547 45.498 45.100 -0.250 0.000 0.715 357 G HN 0.636 nan 8.290 nan 0.000 0.480 358 L N -1.641 119.641 121.223 0.098 0.000 1.383 358 L HA 0.375 4.714 4.340 -0.000 0.000 0.087 358 L C 2.082 178.909 176.870 -0.072 0.000 1.492 358 L CA 0.550 55.393 54.840 0.006 0.000 1.115 358 L CB -0.658 41.398 42.059 -0.004 0.000 2.265 358 L HN -0.019 nan 8.230 nan 0.000 0.448 359 R N 0.919 121.364 120.500 -0.092 0.000 2.140 359 R HA -0.177 4.162 4.340 -0.000 0.000 0.250 359 R C -0.930 175.183 176.300 -0.312 0.000 1.150 359 R CA 2.287 58.267 56.100 -0.200 0.000 0.966 359 R CB -1.722 28.468 30.300 -0.183 0.000 0.869 359 R HN 0.385 nan 8.270 nan 0.000 0.445 360 P HA -0.219 nan 4.420 nan 0.000 0.219 360 P C 0.785 177.789 177.300 -0.492 0.000 1.144 360 P CA 1.577 64.280 63.100 -0.662 0.000 0.806 360 P CB -0.051 30.829 31.700 -1.366 0.000 0.771 361 R N -2.941 117.366 120.500 -0.322 0.000 2.225 361 R HA 0.138 4.478 4.340 -0.000 0.000 0.194 361 R C 1.994 178.272 176.300 -0.037 0.000 0.949 361 R CA 0.086 56.099 56.100 -0.146 0.000 1.088 361 R CB -1.019 29.255 30.300 -0.042 0.000 1.106 361 R HN 0.175 nan 8.270 nan 0.000 0.566 362 H N 1.273 120.234 119.070 -0.182 0.000 2.387 362 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 362 H C 2.026 177.209 175.328 -0.241 0.000 1.090 362 H CA 1.856 57.808 56.048 -0.160 0.000 1.332 362 H CB 0.479 30.196 29.762 -0.076 0.000 1.386 362 H HN 0.198 nan 8.280 nan 0.000 0.516 363 V N -1.144 118.566 119.914 -0.340 0.000 3.217 363 V HA -0.102 4.018 4.120 -0.000 0.000 0.264 363 V C 2.073 178.177 176.094 0.015 0.000 1.135 363 V CA 0.798 62.882 62.300 -0.359 0.000 1.142 363 V CB -0.737 30.869 31.823 -0.361 0.000 0.754 363 V HN 0.324 nan 8.190 nan 0.000 0.484 364 I N 2.259 122.837 120.570 0.013 0.000 2.151 364 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 364 I C 2.844 179.013 176.117 0.086 0.000 1.080 364 I CA 2.017 63.355 61.300 0.064 0.000 1.339 364 I CB -1.192 36.793 38.000 -0.025 0.000 1.039 364 I HN 0.442 nan 8.210 nan 0.000 0.409 365 G N 0.674 109.474 108.800 0.001 0.000 2.514 365 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 365 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 365 G C 1.870 176.751 174.900 -0.031 0.000 1.198 365 G CA 1.158 46.237 45.100 -0.035 0.000 0.780 365 G HN 0.524 nan 8.290 nan 0.000 0.565 366 A N -0.083 122.688 122.820 -0.082 0.000 1.917 366 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 366 A C 2.260 179.901 177.584 0.095 0.000 1.182 366 A CA 1.926 53.889 52.037 -0.124 0.000 0.633 366 A CB -0.735 17.981 19.000 -0.473 0.000 0.819 366 A HN 0.454 nan 8.150 nan 0.000 0.448 367 Y N 0.050 120.439 120.300 0.147 0.000 2.145 367 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 367 Y C 2.528 178.512 175.900 0.140 0.000 1.145 367 Y CA 1.944 60.175 58.100 0.219 0.000 1.148 367 Y CB -0.271 38.267 38.460 0.129 0.000 0.981 367 Y HN 0.444 nan 8.280 nan 0.000 0.507 368 E N -0.350 119.987 120.200 0.227 0.000 2.204 368 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 368 E C 1.260 177.930 176.600 0.117 0.000 0.989 368 E CA 1.250 57.731 56.400 0.135 0.000 0.824 368 E CB -0.182 29.561 29.700 0.073 0.000 0.756 368 E HN 0.523 nan 8.360 nan 0.000 0.477 369 D N 0.330 120.795 120.400 0.109 0.000 2.264 369 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 369 D C 1.189 177.630 176.300 0.234 0.000 0.966 369 D CA 0.753 54.815 54.000 0.103 0.000 0.864 369 D CB 0.164 40.932 40.800 -0.054 0.000 0.933 369 D HN 0.120 nan 8.370 nan 0.000 0.499 370 L N -0.958 120.421 121.223 0.260 0.000 2.700 370 L HA 0.287 4.627 4.340 -0.000 0.000 0.234 370 L C 1.250 178.220 176.870 0.167 0.000 1.156 370 L CA -0.041 54.942 54.840 0.239 0.000 0.946 370 L CB 0.227 42.401 42.059 0.192 0.000 1.216 370 L HN 0.129 nan 8.230 nan 0.000 0.493 371 G N 0.268 109.159 108.800 0.151 0.000 2.155 371 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 371 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 371 G C 0.277 175.242 174.900 0.108 0.000 0.983 371 G CA 0.188 45.356 45.100 0.113 0.000 0.676 371 G HN 0.291 nan 8.290 nan 0.000 0.528 372 M N 0.011 119.701 119.600 0.151 0.000 2.342 372 M HA 0.483 4.962 4.480 -0.000 0.000 0.332 372 M C 0.338 176.705 176.300 0.112 0.000 1.166 372 M CA -0.297 55.093 55.300 0.149 0.000 1.086 372 M CB 1.399 34.156 32.600 0.263 0.000 1.541 372 M HN 0.234 nan 8.290 nan 0.000 0.462 373 E N 1.623 121.849 120.200 0.043 0.000 2.165 373 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 373 E C -1.602 174.957 176.600 -0.068 0.000 0.889 373 E CA -0.602 55.797 56.400 -0.002 0.000 0.756 373 E CB 1.506 31.202 29.700 -0.007 0.000 1.131 373 E HN 0.459 nan 8.360 nan 0.000 0.411 374 V N 6.039 125.892 119.914 -0.102 0.000 2.370 374 V HA 0.012 4.132 4.120 -0.000 0.000 0.257 374 V C 1.141 177.168 176.094 -0.112 0.000 1.064 374 V CA -0.104 62.092 62.300 -0.174 0.000 0.975 374 V CB 0.771 32.461 31.823 -0.221 0.000 1.067 374 V HN 0.664 nan 8.190 nan 0.000 0.485 375 V N 3.843 123.700 119.914 -0.094 0.000 3.217 375 V HA 0.241 4.360 4.120 -0.000 0.000 0.264 375 V C 1.196 177.265 176.094 -0.043 0.000 1.135 375 V CA 1.319 63.583 62.300 -0.061 0.000 1.142 375 V CB -0.686 31.106 31.823 -0.052 0.000 0.754 375 V HN 0.930 nan 8.190 nan 0.000 0.484 376 G N -1.757 107.019 108.800 -0.040 0.000 2.667 376 G HA2 0.540 4.500 3.960 -0.000 0.000 0.294 376 G HA3 0.540 4.500 3.960 -0.000 0.000 0.294 376 G C -1.246 173.618 174.900 -0.060 0.000 1.467 376 G CA 0.214 45.314 45.100 -0.001 0.000 0.852 376 G HN -0.014 nan 8.290 nan 0.000 0.521 377 T N -1.299 113.056 114.554 -0.332 0.000 2.786 377 T HA 0.864 5.214 4.350 -0.000 0.000 0.316 377 T C -0.376 173.770 174.700 -0.923 0.000 1.503 377 T CA 0.534 62.370 62.100 -0.439 0.000 1.019 377 T CB 1.627 70.281 68.868 -0.357 0.000 1.415 377 T HN 2.103 nan 8.240 nan 0.000 0.496 378 G N 0.908 109.369 108.800 -0.566 0.000 2.576 378 G HA2 0.625 4.585 3.960 -0.000 0.000 0.290 378 G HA3 0.625 4.585 3.960 -0.000 0.000 0.290 378 G C -2.444 172.276 174.900 -0.300 0.000 1.442 378 G CA -0.581 44.359 45.100 -0.267 0.000 0.792 378 G HN 0.600 nan 8.290 nan 0.000 0.491 379 Y N -0.658 119.591 120.300 -0.085 0.000 2.621 379 Y HA 0.533 5.083 4.550 -0.000 0.000 0.334 379 Y C 1.417 177.154 175.900 -0.272 0.000 1.074 379 Y CA -0.842 57.021 58.100 -0.395 0.000 1.149 379 Y CB 2.196 40.430 38.460 -0.377 0.000 1.302 379 Y HN 0.617 nan 8.280 nan 0.000 0.501 380 E N 0.493 120.518 120.200 -0.291 0.000 2.099 380 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 380 E C 0.405 177.136 176.600 0.217 0.000 0.962 380 E CA 0.961 57.384 56.400 0.039 0.000 0.826 380 E CB 0.117 29.888 29.700 0.118 0.000 0.788 380 E HN 0.688 nan 8.360 nan 0.000 0.461 381 F N -1.120 118.938 119.950 0.180 0.000 2.729 381 F HA 0.566 5.093 4.527 -0.000 0.000 0.315 381 F C 0.388 176.333 175.800 0.241 0.000 1.102 381 F CA -0.988 57.126 58.000 0.189 0.000 1.204 381 F CB -0.051 39.021 39.000 0.120 0.000 1.052 381 F HN -0.229 nan 8.300 nan 0.000 0.551 382 A N 1.294 124.114 122.820 -0.000 0.000 2.483 382 A HA 0.365 4.684 4.320 -0.000 0.000 0.238 382 A C -0.252 177.531 177.584 0.332 0.000 1.070 382 A CA 0.060 52.029 52.037 -0.114 0.000 0.770 382 A CB -0.105 18.248 19.000 -1.079 0.000 1.008 382 A HN 0.478 nan 8.150 nan 0.000 0.497 383 H N 0.715 119.823 119.070 0.062 0.000 2.523 383 H HA 0.262 4.817 4.556 -0.000 0.000 0.345 383 H C 0.964 176.405 175.328 0.189 0.000 1.261 383 H CA -1.011 55.122 56.048 0.142 0.000 1.343 383 H CB 0.297 30.133 29.762 0.122 0.000 1.650 383 H HN 0.766 nan 8.280 nan 0.000 0.591 384 N N 0.121 118.998 118.700 0.295 0.000 2.430 384 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 384 N C 0.549 176.144 175.510 0.142 0.000 1.032 384 N CA 0.928 54.109 53.050 0.218 0.000 0.893 384 N CB 0.038 38.579 38.487 0.090 0.000 0.957 384 N HN 0.489 nan 8.380 nan 0.000 0.442 385 D N 0.484 120.958 120.400 0.123 0.000 2.106 385 D HA -0.167 4.473 4.640 -0.000 0.000 0.191 385 D C 1.322 177.542 176.300 -0.134 0.000 0.997 385 D CA 1.149 55.160 54.000 0.020 0.000 0.834 385 D CB -0.290 40.595 40.800 0.141 0.000 0.956 385 D HN 0.320 nan 8.370 nan 0.000 0.448 386 D N -0.499 119.788 120.400 -0.189 0.000 2.097 386 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 386 D C 2.112 178.177 176.300 -0.393 0.000 0.989 386 D CA 0.824 54.578 54.000 -0.410 0.000 0.827 386 D CB -0.352 40.008 40.800 -0.732 0.000 0.966 386 D HN 0.311 nan 8.370 nan 0.000 0.456 387 Y N 2.072 122.237 120.300 -0.225 0.000 2.256 387 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 387 Y C 2.207 178.060 175.900 -0.077 0.000 1.155 387 Y CA 1.061 59.093 58.100 -0.113 0.000 1.203 387 Y CB -0.271 38.141 38.460 -0.079 0.000 0.980 387 Y HN -0.065 nan 8.280 nan 0.000 0.530 388 D N -0.184 120.234 120.400 0.031 0.000 2.084 388 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 388 D C 2.175 178.445 176.300 -0.050 0.000 0.990 388 D CA 1.377 55.371 54.000 -0.010 0.000 0.826 388 D CB -0.430 40.346 40.800 -0.039 0.000 0.971 388 D HN 0.337 nan 8.370 nan 0.000 0.453 389 R N 0.272 120.705 120.500 -0.111 0.000 2.105 389 R HA -0.073 4.267 4.340 -0.000 0.000 0.239 389 R C 2.342 178.595 176.300 -0.079 0.000 1.135 389 R CA 1.415 57.441 56.100 -0.123 0.000 0.967 389 R CB -0.543 29.636 30.300 -0.200 0.000 0.861 389 R HN 0.190 nan 8.270 nan 0.000 0.442 390 T N 1.419 115.931 114.554 -0.070 0.000 2.746 390 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 390 T C 1.887 176.577 174.700 -0.016 0.000 1.039 390 T CA 1.353 63.435 62.100 -0.029 0.000 1.142 390 T CB -0.106 68.764 68.868 0.003 0.000 0.866 390 T HN 0.206 nan 8.240 nan 0.000 0.444 391 M N 0.749 120.351 119.600 0.003 0.000 2.202 391 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 391 M C 2.007 178.297 176.300 -0.016 0.000 1.063 391 M CA 1.533 56.834 55.300 0.002 0.000 1.097 391 M CB -0.542 32.066 32.600 0.014 0.000 1.382 391 M HN 0.094 nan 8.290 nan 0.000 0.413 392 K N -0.025 120.360 120.400 -0.025 0.000 2.432 392 K HA -0.033 4.286 4.320 -0.000 0.000 0.196 392 K C 1.725 178.308 176.600 -0.029 0.000 1.038 392 K CA 0.657 56.927 56.287 -0.028 0.000 0.986 392 K CB 0.055 32.534 32.500 -0.034 0.000 0.782 392 K HN 0.269 nan 8.250 nan 0.000 0.485 393 E N -0.297 119.884 120.200 -0.032 0.000 2.201 393 E HA 0.088 4.437 4.350 -0.000 0.000 0.193 393 E C 0.349 176.925 176.600 -0.038 0.000 0.957 393 E CA 0.422 56.801 56.400 -0.034 0.000 0.858 393 E CB 0.146 29.823 29.700 -0.037 0.000 0.816 393 E HN 0.156 nan 8.360 nan 0.000 0.475 394 M N 1.289 120.864 119.600 -0.043 0.000 2.217 394 M HA 0.216 4.696 4.480 -0.000 0.000 0.354 394 M C 0.798 177.076 176.300 -0.036 0.000 1.225 394 M CA -0.221 55.050 55.300 -0.049 0.000 1.137 394 M CB 0.375 32.941 32.600 -0.056 0.000 1.576 394 M HN -0.110 nan 8.290 nan 0.000 0.461 395 G N 1.910 110.688 108.800 -0.036 0.000 2.491 395 G HA2 0.120 4.080 3.960 -0.000 0.000 0.242 395 G HA3 0.120 4.080 3.960 -0.000 0.000 0.242 395 G C -0.387 174.496 174.900 -0.027 0.000 1.266 395 G CA -0.439 44.644 45.100 -0.028 0.000 0.844 395 G HN 0.782 nan 8.290 nan 0.000 0.571 396 D N 0.020 120.407 120.400 -0.022 0.000 2.583 396 D HA 0.145 4.785 4.640 -0.000 0.000 0.232 396 D C 1.040 177.326 176.300 -0.023 0.000 1.128 396 D CA 1.547 55.535 54.000 -0.020 0.000 0.859 396 D CB 0.275 41.066 40.800 -0.016 0.000 1.169 396 D HN 0.381 nan 8.370 nan 0.000 0.481 397 S N 0.419 116.104 115.700 -0.024 0.000 3.315 397 S HA -0.173 4.297 4.470 -0.000 0.000 0.283 397 S C 0.303 174.882 174.600 -0.035 0.000 1.279 397 S CA 0.830 59.013 58.200 -0.027 0.000 0.984 397 S CB -2.236 60.949 63.200 -0.024 0.000 1.184 397 S HN 0.842 nan 8.310 nan 0.000 0.653 398 T N 0.336 114.866 114.554 -0.039 0.000 2.913 398 T HA 0.669 5.019 4.350 -0.000 0.000 0.287 398 T C 0.047 174.715 174.700 -0.054 0.000 1.008 398 T CA -0.849 61.222 62.100 -0.049 0.000 1.067 398 T CB 1.344 70.177 68.868 -0.058 0.000 0.996 398 T HN 0.213 nan 8.240 nan 0.000 0.513 399 L N 2.388 123.580 121.223 -0.052 0.000 2.380 399 L HA 0.509 4.849 4.340 -0.000 0.000 0.273 399 L C -0.793 176.013 176.870 -0.106 0.000 1.138 399 L CA -0.334 54.478 54.840 -0.046 0.000 0.832 399 L CB -0.055 41.985 42.059 -0.032 0.000 1.124 399 L HN 0.652 nan 8.230 nan 0.000 0.454 400 L N 6.292 127.464 121.223 -0.086 0.000 2.365 400 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 400 L C -1.421 175.449 176.870 0.001 0.000 1.000 400 L CA -0.923 53.811 54.840 -0.177 0.000 0.819 400 L CB 1.727 43.786 42.059 -0.000 0.000 1.284 400 L HN 0.649 nan 8.230 nan 0.000 0.418 401 Y N -0.545 119.901 120.300 0.243 0.000 2.479 401 Y HA 0.582 5.132 4.550 -0.000 0.000 0.338 401 Y C -1.209 174.933 175.900 0.404 0.000 1.055 401 Y CA -1.478 56.792 58.100 0.284 0.000 1.023 401 Y CB 1.376 40.008 38.460 0.287 0.000 1.287 401 Y HN 0.485 nan 8.280 nan 0.000 0.447 402 D N 1.865 122.572 120.400 0.512 0.000 2.391 402 D HA 0.324 4.963 4.640 -0.000 0.000 0.245 402 D C -0.584 175.974 176.300 0.431 0.000 1.069 402 D CA -0.196 54.118 54.000 0.523 0.000 0.831 402 D CB 1.219 42.240 40.800 0.368 0.000 1.204 402 D HN 0.772 nan 8.370 nan 0.000 0.503 403 D N 2.631 123.309 120.400 0.464 0.000 2.689 403 D HA -0.205 4.435 4.640 -0.000 0.000 0.237 403 D C -0.750 175.655 176.300 0.175 0.000 1.148 403 D CA 0.373 54.570 54.000 0.327 0.000 0.656 403 D CB -0.845 40.048 40.800 0.155 0.000 1.050 403 D HN 0.202 nan 8.370 nan 0.000 0.426 404 V N 1.368 121.338 119.914 0.094 0.000 2.617 404 V HA 0.185 4.305 4.120 -0.000 0.000 0.304 404 V C 1.314 177.302 176.094 -0.177 0.000 1.040 404 V CA 0.883 63.079 62.300 -0.173 0.000 1.149 404 V CB 0.585 32.032 31.823 -0.627 0.000 0.914 404 V HN 0.512 nan 8.190 nan 0.000 0.487 405 T N 3.947 118.456 114.554 -0.075 0.000 2.899 405 T HA 0.365 4.715 4.350 -0.000 0.000 0.295 405 T C 1.436 176.129 174.700 -0.011 0.000 1.033 405 T CA -0.049 62.049 62.100 -0.003 0.000 1.084 405 T CB 1.354 70.282 68.868 0.101 0.000 0.979 405 T HN 0.944 nan 8.240 nan 0.000 0.532 406 G N 0.537 109.366 108.800 0.049 0.000 2.491 406 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 406 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 406 G C 1.132 176.074 174.900 0.070 0.000 1.180 406 G CA 1.140 46.285 45.100 0.076 0.000 0.774 406 G HN 0.905 nan 8.290 nan 0.000 0.562 407 Y N 1.595 121.879 120.300 -0.026 0.000 2.151 407 Y HA -0.186 4.363 4.550 -0.000 0.000 0.284 407 Y C 2.752 178.551 175.900 -0.169 0.000 1.166 407 Y CA 2.399 60.460 58.100 -0.065 0.000 1.163 407 Y CB -0.301 38.142 38.460 -0.029 0.000 0.974 407 Y HN 0.410 nan 8.280 nan 0.000 0.511 408 E N -0.702 119.326 120.200 -0.286 0.000 2.023 408 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 408 E C 2.041 178.093 176.600 -0.914 0.000 1.003 408 E CA 1.413 57.342 56.400 -0.786 0.000 0.809 408 E CB -0.550 28.761 29.700 -0.648 0.000 0.755 408 E HN 0.431 nan 8.360 nan 0.000 0.449 409 F N 2.085 121.655 119.950 -0.633 0.000 2.120 409 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 409 F C 2.208 177.935 175.800 -0.123 0.000 1.095 409 F CA 1.695 59.479 58.000 -0.360 0.000 1.249 409 F CB -0.430 38.484 39.000 -0.142 0.000 0.995 409 F HN 0.055 nan 8.300 nan 0.000 0.480 410 E N -0.232 119.944 120.200 -0.040 0.000 2.017 410 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 410 E C 2.151 178.656 176.600 -0.159 0.000 0.997 410 E CA 1.493 57.859 56.400 -0.058 0.000 0.804 410 E CB -0.041 29.570 29.700 -0.149 0.000 0.757 410 E HN 0.267 nan 8.360 nan 0.000 0.448 411 E N 0.209 120.185 120.200 -0.372 0.000 2.085 411 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 411 E C 2.020 178.603 176.600 -0.028 0.000 0.994 411 E CA 0.834 57.060 56.400 -0.290 0.000 0.801 411 E CB -0.455 28.944 29.700 -0.503 0.000 0.743 411 E HN 0.310 nan 8.360 nan 0.000 0.453 412 F N 0.907 120.766 119.950 -0.152 0.000 2.069 412 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 412 F C 2.631 178.359 175.800 -0.120 0.000 1.113 412 F CA 0.497 58.434 58.000 -0.105 0.000 1.214 412 F CB -1.407 37.538 39.000 -0.092 0.000 0.978 412 F HN -0.143 nan 8.300 nan 0.000 0.474 413 V N 0.104 120.030 119.914 0.020 0.000 2.392 413 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 413 V C 2.348 178.404 176.094 -0.063 0.000 1.059 413 V CA 1.765 63.984 62.300 -0.134 0.000 1.051 413 V CB -0.677 30.939 31.823 -0.345 0.000 0.658 413 V HN 0.306 nan 8.190 nan 0.000 0.455 414 K N -0.448 119.935 120.400 -0.028 0.000 2.032 414 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 414 K C 2.478 179.069 176.600 -0.016 0.000 1.048 414 K CA 1.622 57.896 56.287 -0.021 0.000 0.927 414 K CB -0.242 32.241 32.500 -0.029 0.000 0.712 414 K HN 0.273 nan 8.250 nan 0.000 0.441 415 R N 0.778 121.279 120.500 0.000 0.000 2.066 415 R HA -0.017 4.323 4.340 -0.000 0.000 0.224 415 R C 2.197 178.488 176.300 -0.016 0.000 1.122 415 R CA 0.760 56.859 56.100 -0.002 0.000 0.974 415 R CB -0.012 30.295 30.300 0.011 0.000 0.871 415 R HN 0.102 nan 8.270 nan 0.000 0.435 416 I N 1.690 122.249 120.570 -0.019 0.000 2.264 416 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 416 I C 0.526 176.612 176.117 -0.052 0.000 1.111 416 I CA 1.253 62.532 61.300 -0.036 0.000 1.382 416 I CB -0.900 37.078 38.000 -0.036 0.000 1.060 416 I HN 0.225 nan 8.210 nan 0.000 0.418 417 K N -0.168 120.195 120.400 -0.063 0.000 3.278 417 K HA -0.167 4.152 4.320 -0.000 0.000 0.270 417 K C -2.172 174.373 176.600 -0.092 0.000 0.955 417 K CA -0.259 55.984 56.287 -0.073 0.000 0.723 417 K CB -1.667 30.803 32.500 -0.050 0.000 1.382 417 K HN 0.326 nan 8.250 nan 0.000 0.461 418 P HA -0.017 nan 4.420 nan 0.000 0.270 418 P C 0.346 177.559 177.300 -0.146 0.000 1.223 418 P CA -0.224 62.797 63.100 -0.132 0.000 0.785 418 P CB 0.535 32.133 31.700 -0.169 0.000 0.923 419 D N -0.111 120.210 120.400 -0.131 0.000 2.289 419 D HA 0.067 4.707 4.640 -0.000 0.000 0.207 419 D C 0.402 176.588 176.300 -0.190 0.000 0.966 419 D CA 1.063 54.977 54.000 -0.142 0.000 0.868 419 D CB 0.288 41.033 40.800 -0.092 0.000 0.943 419 D HN 0.110 nan 8.370 nan 0.000 0.514 420 L N 0.299 121.416 121.223 -0.178 0.000 2.505 420 L HA 0.430 4.770 4.340 -0.000 0.000 0.259 420 L C -1.922 174.814 176.870 -0.223 0.000 0.952 420 L CA -0.595 54.131 54.840 -0.189 0.000 0.840 420 L CB 2.559 44.552 42.059 -0.109 0.000 1.358 420 L HN -0.260 nan 8.230 nan 0.000 0.409 421 I N 2.737 123.136 120.570 -0.285 0.000 2.608 421 I HA 0.712 4.882 4.170 -0.000 0.000 0.295 421 I C -0.041 175.727 176.117 -0.580 0.000 1.049 421 I CA -0.723 60.351 61.300 -0.377 0.000 1.063 421 I CB 2.285 40.005 38.000 -0.467 0.000 1.248 421 I HN 0.776 nan 8.210 nan 0.000 0.424 422 G N 2.878 111.434 108.800 -0.407 0.000 2.675 422 G HA2 0.606 4.565 3.960 -0.000 0.000 0.297 422 G HA3 0.606 4.565 3.960 -0.000 0.000 0.297 422 G C -0.966 173.823 174.900 -0.185 0.000 1.399 422 G CA -0.160 44.703 45.100 -0.395 0.000 0.981 422 G HN 0.563 nan 8.290 nan 0.000 0.519 423 S N 0.716 116.323 115.700 -0.156 0.000 3.287 423 S HA 0.851 5.321 4.470 -0.000 0.000 0.324 423 S C 0.613 175.595 174.600 0.637 0.000 1.205 423 S CA 0.185 58.620 58.200 0.391 0.000 1.020 423 S CB 0.663 64.309 63.200 0.743 0.000 1.398 423 S HN 1.060 nan 8.310 nan 0.000 0.679 424 G N 0.702 109.915 108.800 0.688 0.000 2.537 424 G HA2 0.445 4.405 3.960 -0.000 0.000 0.297 424 G HA3 0.445 4.405 3.960 -0.000 0.000 0.297 424 G C 0.809 175.860 174.900 0.252 0.000 1.310 424 G CA -0.459 44.920 45.100 0.464 0.000 1.027 424 G HN 0.561 nan 8.290 nan 0.000 0.505 425 I N -0.451 120.157 120.570 0.062 0.000 2.226 425 I HA -0.084 4.085 4.170 -0.000 0.000 0.245 425 I C 2.403 178.484 176.117 -0.061 0.000 1.100 425 I CA 1.439 62.719 61.300 -0.033 0.000 1.374 425 I CB -0.385 37.637 38.000 0.036 0.000 1.057 425 I HN 0.512 nan 8.210 nan 0.000 0.413 426 K N 0.126 120.543 120.400 0.028 0.000 2.515 426 K HA -0.169 4.151 4.320 -0.000 0.000 0.196 426 K C 1.458 178.076 176.600 0.029 0.000 1.038 426 K CA 0.800 57.117 56.287 0.051 0.000 0.967 426 K CB 0.198 32.745 32.500 0.077 0.000 0.780 426 K HN 0.314 nan 8.250 nan 0.000 0.483 427 E N -0.001 120.201 120.200 0.004 0.000 2.228 427 E HA 0.021 4.371 4.350 -0.000 0.000 0.197 427 E C 1.275 177.570 176.600 -0.508 0.000 0.909 427 E CA 0.241 56.655 56.400 0.023 0.000 0.911 427 E CB 0.039 30.077 29.700 0.564 0.000 0.887 427 E HN 0.040 nan 8.360 nan 0.000 0.481 428 K N 0.462 120.150 120.400 -1.186 0.000 2.008 428 K HA -0.291 4.029 4.320 -0.000 0.000 0.231 428 K C 1.622 177.618 176.600 -1.008 0.000 1.031 428 K CA 2.526 57.657 56.287 -1.926 0.000 0.995 428 K CB -0.487 31.155 32.500 -1.430 0.000 0.747 428 K HN 0.078 nan 8.250 nan 0.000 0.447 429 F N 0.791 120.565 119.950 -0.292 0.000 2.269 429 F HA -0.094 4.433 4.527 -0.000 0.000 0.301 429 F C 2.199 177.901 175.800 -0.163 0.000 1.082 429 F CA 0.862 58.780 58.000 -0.137 0.000 1.360 429 F CB -0.498 38.455 39.000 -0.079 0.000 1.041 429 F HN 0.117 nan 8.300 nan 0.000 0.512 430 I N -0.916 119.544 120.570 -0.184 0.000 2.179 430 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 430 I C 2.086 177.948 176.117 -0.426 0.000 1.088 430 I CA 1.558 62.637 61.300 -0.368 0.000 1.357 430 I CB -0.537 37.068 38.000 -0.659 0.000 1.051 430 I HN 0.009 nan 8.210 nan 0.000 0.409 431 F N 0.615 120.530 119.950 -0.060 0.000 2.367 431 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 431 F C 2.613 178.451 175.800 0.064 0.000 1.094 431 F CA 0.695 58.690 58.000 -0.007 0.000 1.409 431 F CB -0.697 38.338 39.000 0.058 0.000 1.064 431 F HN 0.054 nan 8.300 nan 0.000 0.528 432 Q N 0.189 120.136 119.800 0.246 0.000 2.119 432 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 432 Q C 2.058 178.261 176.000 0.338 0.000 0.972 432 Q CA 1.246 57.296 55.803 0.411 0.000 0.847 432 Q CB -0.181 28.804 28.738 0.412 0.000 0.903 432 Q HN 0.190 nan 8.270 nan 0.000 0.433 433 K N 0.687 121.198 120.400 0.185 0.000 2.063 433 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 433 K C 1.812 178.484 176.600 0.121 0.000 1.048 433 K CA 1.407 57.768 56.287 0.123 0.000 0.928 433 K CB -0.044 32.482 32.500 0.045 0.000 0.713 433 K HN 0.189 nan 8.250 nan 0.000 0.442 434 M N -1.399 118.266 119.600 0.108 0.000 2.557 434 M HA 0.055 4.534 4.480 -0.000 0.000 0.259 434 M C 0.969 177.336 176.300 0.112 0.000 1.086 434 M CA 1.143 56.499 55.300 0.094 0.000 1.096 434 M CB 0.120 32.782 32.600 0.104 0.000 1.424 434 M HN 0.399 nan 8.290 nan 0.000 0.488 435 G N 1.641 110.556 108.800 0.193 0.000 2.141 435 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.231 435 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.231 435 G C 0.013 174.823 174.900 -0.150 0.000 0.984 435 G CA -0.433 44.805 45.100 0.230 0.000 0.660 435 G HN 0.456 nan 8.290 nan 0.000 0.525 436 I N 1.502 121.933 120.570 -0.232 0.000 2.321 436 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 436 I C -2.076 173.618 176.117 -0.705 0.000 0.998 436 I CA -2.414 58.634 61.300 -0.421 0.000 1.227 436 I CB 1.720 39.618 38.000 -0.169 0.000 1.368 436 I HN -0.178 nan 8.210 nan 0.000 0.466 437 P HA -0.051 nan 4.420 nan 0.000 0.258 437 P C -0.924 176.286 177.300 -0.149 0.000 1.187 437 P CA 0.477 63.092 63.100 -0.808 0.000 0.767 437 P CB 0.064 31.377 31.700 -0.644 0.000 0.770 438 F N 4.670 124.625 119.950 0.008 0.000 2.492 438 F HA 0.655 5.182 4.527 -0.000 0.000 0.327 438 F C 0.096 175.978 175.800 0.137 0.000 1.079 438 F CA -0.655 57.391 58.000 0.077 0.000 0.967 438 F CB 1.493 40.576 39.000 0.138 0.000 1.169 438 F HN 0.042 nan 8.300 nan 0.000 0.472 439 R N 3.683 124.050 120.500 -0.222 0.000 2.515 439 R HA 0.176 4.516 4.340 -0.000 0.000 0.291 439 R C -1.256 175.041 176.300 -0.005 0.000 1.046 439 R CA -0.721 55.413 56.100 0.057 0.000 0.914 439 R CB 1.824 32.160 30.300 0.061 0.000 1.191 439 R HN 0.788 nan 8.270 nan 0.000 0.435 440 E N 3.851 124.232 120.200 0.302 0.000 2.328 440 E HA 0.034 4.384 4.350 -0.000 0.000 0.265 440 E C 0.696 177.451 176.600 0.258 0.000 1.057 440 E CA 0.145 56.733 56.400 0.314 0.000 0.916 440 E CB 0.729 30.532 29.700 0.172 0.000 0.993 440 E HN 0.203 nan 8.360 nan 0.000 0.446 441 M N 2.344 122.069 119.600 0.209 0.000 2.431 441 M HA 0.039 4.519 4.480 -0.000 0.000 0.237 441 M C 0.988 177.183 176.300 -0.175 0.000 1.130 441 M CA 0.543 55.975 55.300 0.221 0.000 1.002 441 M CB -0.361 32.335 32.600 0.159 0.000 1.524 441 M HN 0.536 nan 8.290 nan 0.000 0.482 442 H N -0.738 118.210 119.070 -0.204 0.000 2.379 442 H HA 0.200 4.756 4.556 -0.000 0.000 0.308 442 H C 1.500 176.440 175.328 -0.648 0.000 1.047 442 H CA 1.569 57.393 56.048 -0.374 0.000 1.371 442 H CB 0.407 30.070 29.762 -0.165 0.000 1.449 442 H HN 0.345 nan 8.280 nan 0.000 0.564 443 S N -0.895 114.622 115.700 -0.305 0.000 2.572 443 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 443 S C 0.114 174.527 174.600 -0.311 0.000 0.963 443 S CA -0.601 57.361 58.200 -0.397 0.000 0.939 443 S CB -0.826 62.207 63.200 -0.278 0.000 0.804 443 S HN 0.594 nan 8.310 nan 0.000 0.480 444 W N 1.430 122.587 121.300 -0.237 0.000 4.650 444 W HA -0.238 4.422 4.660 -0.000 0.000 0.335 444 W C 0.104 176.521 176.519 -0.170 0.000 1.222 444 W CA 0.123 57.260 57.345 -0.348 0.000 0.807 444 W CB -2.150 26.936 29.460 -0.625 0.000 2.290 444 W HN 0.412 nan 8.180 nan 0.000 1.514 445 D N -0.594 119.786 120.400 -0.034 0.000 2.689 445 D HA -0.265 4.375 4.640 -0.000 0.000 0.237 445 D C 0.233 176.443 176.300 -0.149 0.000 1.148 445 D CA 2.278 56.154 54.000 -0.207 0.000 0.656 445 D CB -1.244 39.621 40.800 0.109 0.000 1.050 445 D HN 0.584 nan 8.370 nan 0.000 0.426 446 Y N -3.075 117.334 120.300 0.183 0.000 4.604 446 Y HA -0.297 4.253 4.550 -0.000 0.000 0.230 446 Y C 1.164 177.173 175.900 0.182 0.000 1.066 446 Y CA 0.974 59.174 58.100 0.168 0.000 1.990 446 Y CB -2.155 36.403 38.460 0.162 0.000 1.619 446 Y HN 0.206 nan 8.280 nan 0.000 0.649 447 S N -0.123 115.730 115.700 0.255 0.000 2.713 447 S HA 0.763 5.233 4.470 -0.000 0.000 0.283 447 S C 1.099 175.814 174.600 0.193 0.000 1.161 447 S CA -0.195 58.149 58.200 0.240 0.000 0.999 447 S CB 1.028 64.388 63.200 0.267 0.000 1.039 447 S HN 0.644 nan 8.310 nan 0.000 0.548 448 G N 1.748 110.659 108.800 0.185 0.000 2.744 448 G HA2 0.280 4.240 3.960 -0.000 0.000 0.257 448 G HA3 0.280 4.240 3.960 -0.000 0.000 0.257 448 G C -2.527 172.414 174.900 0.068 0.000 1.244 448 G CA -0.840 44.350 45.100 0.151 0.000 0.916 448 G HN 0.604 nan 8.290 nan 0.000 0.564 449 P HA 0.019 nan 4.420 nan 0.000 0.269 449 P C -0.634 176.699 177.300 0.055 0.000 1.215 449 P CA 0.210 63.296 63.100 -0.023 0.000 0.780 449 P CB 0.729 32.454 31.700 0.043 0.000 0.898 450 Y N -1.360 118.676 120.300 -0.439 0.000 2.444 450 Y HA 0.156 4.706 4.550 -0.000 0.000 0.252 450 Y C 1.525 177.298 175.900 -0.212 0.000 1.091 450 Y CA -0.369 57.491 58.100 -0.399 0.000 1.276 450 Y CB -0.886 37.104 38.460 -0.783 0.000 1.170 450 Y HN 0.427 nan 8.280 nan 0.000 0.517 451 H N -0.008 118.930 119.070 -0.219 0.000 2.790 451 H HA 0.359 4.914 4.556 -0.000 0.000 0.358 451 H C 1.100 176.297 175.328 -0.218 0.000 1.103 451 H CA 0.515 56.376 56.048 -0.311 0.000 1.426 451 H CB 0.616 30.250 29.762 -0.214 0.000 1.424 451 H HN 0.392 nan 8.280 nan 0.000 0.599 452 G N 1.274 109.912 108.800 -0.270 0.000 2.752 452 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.234 452 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.234 452 G C 0.196 174.804 174.900 -0.486 0.000 1.367 452 G CA 0.222 44.941 45.100 -0.634 0.000 0.879 452 G HN 0.495 nan 8.290 nan 0.000 0.563 453 F N 0.186 119.957 119.950 -0.297 0.000 2.113 453 F HA 0.061 4.588 4.527 -0.000 0.000 0.297 453 F C 2.653 178.503 175.800 0.082 0.000 1.103 453 F CA 1.852 59.794 58.000 -0.096 0.000 1.248 453 F CB -0.564 38.327 39.000 -0.182 0.000 0.999 453 F HN 0.397 nan 8.300 nan 0.000 0.475 454 D N -0.025 120.488 120.400 0.189 0.000 2.149 454 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 454 D C 2.528 178.916 176.300 0.147 0.000 0.990 454 D CA 1.515 55.631 54.000 0.194 0.000 0.839 454 D CB -0.897 40.005 40.800 0.170 0.000 0.948 454 D HN 0.348 nan 8.370 nan 0.000 0.460 455 G N -0.082 108.779 108.800 0.102 0.000 2.421 455 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 455 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 455 G C 1.443 176.382 174.900 0.066 0.000 1.143 455 G CA 0.143 45.294 45.100 0.084 0.000 0.784 455 G HN 0.222 nan 8.290 nan 0.000 0.541 456 F N 2.678 122.598 119.950 -0.050 0.000 2.126 456 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 456 F C 2.713 178.526 175.800 0.021 0.000 1.096 456 F CA 1.171 59.151 58.000 -0.034 0.000 1.255 456 F CB -0.481 38.523 39.000 0.006 0.000 0.997 456 F HN 0.223 nan 8.300 nan 0.000 0.479 457 A N 0.865 123.635 122.820 -0.083 0.000 1.908 457 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 457 A C 2.355 179.770 177.584 -0.282 0.000 1.181 457 A CA 2.178 54.103 52.037 -0.186 0.000 0.627 457 A CB -1.274 17.759 19.000 0.055 0.000 0.818 457 A HN 0.523 nan 8.150 nan 0.000 0.445 458 I N -1.949 118.525 120.570 -0.160 0.000 2.202 458 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 458 I C 2.373 178.272 176.117 -0.364 0.000 1.091 458 I CA 1.667 62.877 61.300 -0.150 0.000 1.368 458 I CB -0.484 37.535 38.000 0.032 0.000 1.058 458 I HN 0.450 nan 8.210 nan 0.000 0.410 459 F N 2.156 121.639 119.950 -0.779 0.000 2.091 459 F HA -0.306 4.221 4.527 -0.000 0.000 0.299 459 F C 2.450 177.745 175.800 -0.840 0.000 1.103 459 F CA 1.551 58.801 58.000 -1.251 0.000 1.228 459 F CB -0.450 37.805 39.000 -1.242 0.000 0.984 459 F HN 0.018 nan 8.300 nan 0.000 0.477 460 A N 0.948 123.222 122.820 -0.911 0.000 1.858 460 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 460 A C 2.462 179.358 177.584 -1.147 0.000 1.190 460 A CA 1.859 53.273 52.037 -1.037 0.000 0.617 460 A CB -1.068 17.322 19.000 -1.017 0.000 0.827 460 A HN 0.501 nan 8.150 nan 0.000 0.443 461 R N -0.395 119.424 120.500 -1.135 0.000 2.096 461 R HA -0.211 4.129 4.340 -0.000 0.000 0.240 461 R C 1.577 177.585 176.300 -0.486 0.000 1.139 461 R CA 2.126 57.674 56.100 -0.920 0.000 0.952 461 R CB -0.526 29.515 30.300 -0.432 0.000 0.854 461 R HN 0.498 nan 8.270 nan 0.000 0.436 462 D N 0.321 120.476 120.400 -0.410 0.000 2.092 462 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 462 D C 1.898 178.048 176.300 -0.249 0.000 0.994 462 D CA 1.481 55.344 54.000 -0.228 0.000 0.828 462 D CB -0.253 40.464 40.800 -0.138 0.000 0.963 462 D HN 0.175 nan 8.370 nan 0.000 0.450 463 M N 0.721 120.038 119.600 -0.471 0.000 2.082 463 M HA -0.163 4.317 4.480 -0.000 0.000 0.258 463 M C 1.717 177.901 176.300 -0.194 0.000 1.069 463 M CA 1.473 56.545 55.300 -0.379 0.000 1.102 463 M CB -0.588 31.636 32.600 -0.626 0.000 1.336 463 M HN 0.005 nan 8.290 nan 0.000 0.404 464 D N -0.613 119.660 120.400 -0.212 0.000 2.078 464 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 464 D C 2.082 178.401 176.300 0.031 0.000 0.990 464 D CA 1.964 55.945 54.000 -0.031 0.000 0.827 464 D CB -0.254 40.609 40.800 0.104 0.000 0.975 464 D HN 0.371 nan 8.370 nan 0.000 0.451 465 M N -0.278 119.327 119.600 0.007 0.000 2.147 465 M HA -0.258 4.222 4.480 -0.000 0.000 0.253 465 M C 1.642 178.014 176.300 0.120 0.000 1.075 465 M CA 2.400 57.736 55.300 0.061 0.000 1.085 465 M CB -0.413 32.208 32.600 0.035 0.000 1.305 465 M HN 0.130 nan 8.290 nan 0.000 0.409 466 T N 0.861 115.497 114.554 0.137 0.000 2.781 466 T HA -0.058 4.292 4.350 -0.000 0.000 0.252 466 T C 1.591 176.504 174.700 0.355 0.000 1.039 466 T CA 1.148 63.417 62.100 0.282 0.000 1.147 466 T CB -0.408 68.611 68.868 0.253 0.000 0.865 466 T HN 0.375 nan 8.240 nan 0.000 0.423 467 L N 2.143 123.455 121.223 0.149 0.000 2.081 467 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 467 L C 0.688 177.639 176.870 0.134 0.000 1.080 467 L CA 1.829 56.705 54.840 0.061 0.000 0.754 467 L CB -0.909 41.148 42.059 -0.003 0.000 0.893 467 L HN 0.233 nan 8.230 nan 0.000 0.433 468 N N -0.688 118.113 118.700 0.168 0.000 2.389 468 N HA 0.085 4.825 4.740 -0.000 0.000 0.260 468 N C -0.312 175.321 175.510 0.205 0.000 1.191 468 N CA -0.180 52.971 53.050 0.169 0.000 0.885 468 N CB -0.173 38.378 38.487 0.108 0.000 1.162 468 N HN 0.274 nan 8.380 nan 0.000 0.512 469 N N 1.954 120.846 118.700 0.320 0.000 2.514 469 N HA 0.092 4.832 4.740 -0.000 0.000 0.277 469 N C -1.445 174.122 175.510 0.096 0.000 1.126 469 N CA -1.565 51.583 53.050 0.163 0.000 0.978 469 N CB 1.369 39.899 38.487 0.072 0.000 1.106 469 N HN 0.046 nan 8.380 nan 0.000 0.461 470 P HA -0.124 nan 4.420 nan 0.000 0.219 470 P C 1.673 178.935 177.300 -0.065 0.000 1.146 470 P CA 0.900 64.004 63.100 0.007 0.000 0.808 470 P CB -0.218 31.481 31.700 -0.002 0.000 0.779 471 C N -2.640 116.528 119.300 -0.220 0.000 2.403 471 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 471 C C 2.517 177.316 174.990 -0.319 0.000 1.248 471 C CA -0.061 58.748 59.018 -0.349 0.000 1.762 471 C CB -2.495 24.898 27.740 -0.578 0.000 2.014 471 C HN 0.226 nan 8.230 nan 0.000 0.486 472 W N 1.578 122.899 121.300 0.035 0.000 2.374 472 W HA -0.020 4.640 4.660 -0.000 0.000 0.288 472 W C 2.526 179.055 176.519 0.016 0.000 1.218 472 W CA 0.696 58.060 57.345 0.031 0.000 1.245 472 W CB -0.311 29.171 29.460 0.036 0.000 1.126 472 W HN 0.213 nan 8.180 nan 0.000 0.545 473 K N 0.535 121.049 120.400 0.190 0.000 2.217 473 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 473 K C 1.326 177.960 176.600 0.057 0.000 1.051 473 K CA 0.927 57.281 56.287 0.112 0.000 0.952 473 K CB -0.387 32.159 32.500 0.076 0.000 0.736 473 K HN 0.101 nan 8.250 nan 0.000 0.453 474 K N 1.128 121.544 120.400 0.027 0.000 2.476 474 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 474 K C 1.629 178.216 176.600 -0.021 0.000 1.025 474 K CA -0.067 56.212 56.287 -0.014 0.000 1.138 474 K CB -0.016 32.462 32.500 -0.036 0.000 0.860 474 K HN 0.027 nan 8.250 nan 0.000 0.515 475 L N 0.410 121.649 121.223 0.026 0.000 2.042 475 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 475 L C 1.158 178.006 176.870 -0.037 0.000 1.076 475 L CA 1.539 56.396 54.840 0.028 0.000 0.749 475 L CB -0.668 41.453 42.059 0.104 0.000 0.893 475 L HN 0.345 nan 8.230 nan 0.000 0.432 476 Q N -0.129 119.635 119.800 -0.060 0.000 2.278 476 Q HA 0.470 4.810 4.340 -0.000 0.000 0.257 476 Q C -0.307 175.551 176.000 -0.238 0.000 0.928 476 Q CA -0.358 55.367 55.803 -0.129 0.000 0.932 476 Q CB 1.514 30.197 28.738 -0.091 0.000 1.221 476 Q HN 0.302 nan 8.270 nan 0.000 0.434 477 A N 5.844 128.413 122.820 -0.418 0.000 2.488 477 A HA 0.216 4.535 4.320 -0.000 0.000 0.249 477 A C -1.798 175.373 177.584 -0.689 0.000 1.083 477 A CA -1.136 50.422 52.037 -0.797 0.000 0.768 477 A CB 0.016 18.124 19.000 -1.486 0.000 1.017 477 A HN 0.808 nan 8.150 nan 0.000 0.496 478 P HA -0.192 nan 4.420 nan 0.000 0.217 478 P C 0.830 178.122 177.300 -0.013 0.000 1.148 478 P CA 1.988 65.007 63.100 -0.135 0.000 0.834 478 P CB -0.081 31.637 31.700 0.029 0.000 0.783 479 W N -0.453 120.855 121.300 0.013 0.000 3.310 479 W HA 0.253 4.913 4.660 -0.000 0.000 0.259 479 W C -0.105 176.422 176.519 0.013 0.000 1.324 479 W CA -0.270 57.082 57.345 0.012 0.000 1.636 479 W CB -0.771 28.695 29.460 0.010 0.000 1.104 479 W HN -0.051 nan 8.180 nan 0.000 0.722 480 E N 0.264 120.420 120.200 -0.074 0.000 2.367 480 E HA 0.727 5.077 4.350 -0.000 0.000 0.273 480 E C -0.787 175.785 176.600 -0.046 0.000 0.903 480 E CA -0.963 55.407 56.400 -0.049 0.000 0.764 480 E CB 2.192 31.815 29.700 -0.129 0.000 1.252 480 E HN 0.013 nan 8.360 nan 0.000 0.446 481 A N 0.000 122.812 122.820 -0.014 0.000 2.254 481 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 481 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 481 A CB 0.000 19.003 19.000 0.006 0.000 0.831 481 A HN 0.000 nan 8.150 nan 0.000 0.486