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 3ogl_1_J DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.203 63.200 0.006 0.000 0.593 13 C N 3.399 122.705 119.300 0.009 0.000 2.401 13 C HA 0.819 5.280 4.460 0.001 0.000 0.356 13 C C 0.727 175.723 174.990 0.011 0.000 1.192 13 C CA -0.244 58.780 59.018 0.010 0.000 2.028 13 C CB 0.998 28.745 27.740 0.011 0.000 2.344 13 C HN 0.966 nan 8.230 nan 0.000 0.525 14 V N 3.506 123.427 119.914 0.011 0.000 2.752 14 V HA 0.228 4.349 4.120 0.001 0.000 0.306 14 V C 0.913 177.016 176.094 0.015 0.000 1.099 14 V CA 0.450 62.757 62.300 0.012 0.000 1.240 14 V CB -0.550 31.281 31.823 0.013 0.000 0.887 14 V HN 1.046 nan 8.190 nan 0.000 0.499 15 A N 4.692 127.521 122.820 0.015 0.000 2.362 15 A HA 0.592 4.913 4.320 0.001 0.000 0.276 15 A C 0.614 178.213 177.584 0.025 0.000 1.153 15 A CA -0.359 51.689 52.037 0.018 0.000 0.813 15 A CB -0.017 18.991 19.000 0.012 0.000 1.081 15 A HN 0.934 nan 8.150 nan 0.000 0.507 16 T N 1.424 115.999 114.554 0.034 0.000 2.862 16 T HA 0.351 4.701 4.350 0.001 0.000 0.276 16 T C 1.716 176.453 174.700 0.062 0.000 0.974 16 T CA -0.249 61.880 62.100 0.049 0.000 0.966 16 T CB 0.987 69.890 68.868 0.059 0.000 1.072 16 T HN 0.389 nan 8.240 nan 0.000 0.538 17 V N 0.209 120.181 119.914 0.096 0.000 2.343 17 V HA -0.152 3.969 4.120 0.001 0.000 0.247 17 V C 2.251 178.419 176.094 0.124 0.000 1.051 17 V CA 2.024 64.402 62.300 0.130 0.000 1.036 17 V CB -0.990 30.980 31.823 0.245 0.000 0.654 17 V HN 0.943 nan 8.190 nan 0.000 0.451 18 D N 0.254 120.748 120.400 0.156 0.000 2.322 18 D HA -0.195 4.446 4.640 0.001 0.000 0.210 18 D C 1.376 177.714 176.300 0.064 0.000 0.983 18 D CA 1.081 55.164 54.000 0.139 0.000 0.902 18 D CB -0.137 40.744 40.800 0.136 0.000 0.905 18 D HN 0.456 nan 8.370 nan 0.000 0.483 19 D N -0.754 119.674 120.400 0.046 0.000 2.342 19 D HA 0.045 4.686 4.640 0.001 0.000 0.221 19 D C 0.792 177.094 176.300 0.002 0.000 1.101 19 D CA 0.097 54.111 54.000 0.022 0.000 0.837 19 D CB 1.449 42.262 40.800 0.022 0.000 0.938 19 D HN 0.128 nan 8.370 nan 0.000 0.508 20 V N 0.162 120.069 119.914 -0.011 0.000 3.643 20 V HA 0.014 4.135 4.120 0.001 0.000 0.271 20 V C 1.183 177.228 176.094 -0.082 0.000 1.698 20 V CA -0.083 62.194 62.300 -0.038 0.000 1.113 20 V CB 0.628 32.434 31.823 -0.029 0.000 0.930 20 V HN -0.060 nan 8.190 nan 0.000 0.395 21 I N 1.072 121.573 120.570 -0.116 0.000 2.353 21 I HA -0.066 4.104 4.170 0.001 0.000 0.248 21 I C 2.099 178.071 176.117 -0.242 0.000 1.119 21 I CA 2.064 63.205 61.300 -0.266 0.000 1.417 21 I CB -0.117 37.608 38.000 -0.458 0.000 1.078 21 I HN 0.396 nan 8.210 nan 0.000 0.421 22 E N -0.063 120.047 120.200 -0.151 0.000 2.171 22 E HA -0.275 4.076 4.350 0.001 0.000 0.197 22 E C 2.004 178.567 176.600 -0.061 0.000 0.997 22 E CA 1.152 57.492 56.400 -0.100 0.000 0.810 22 E CB -0.208 29.460 29.700 -0.053 0.000 0.738 22 E HN 0.647 nan 8.360 nan 0.000 0.467 23 Q N 0.211 119.981 119.800 -0.049 0.000 2.061 23 Q HA -0.062 4.278 4.340 0.001 0.000 0.195 23 Q C 2.539 178.567 176.000 0.046 0.000 0.967 23 Q CA 0.825 56.632 55.803 0.008 0.000 0.829 23 Q CB 0.047 28.774 28.738 -0.017 0.000 0.900 23 Q HN 0.190 nan 8.270 nan 0.000 0.450 24 V N 1.388 121.265 119.914 -0.061 0.000 2.343 24 V HA -0.296 3.824 4.120 0.001 0.000 0.247 24 V C 2.429 178.546 176.094 0.038 0.000 1.051 24 V CA 1.850 64.102 62.300 -0.081 0.000 1.036 24 V CB -0.588 31.144 31.823 -0.151 0.000 0.654 24 V HN 0.336 nan 8.190 nan 0.000 0.451 25 M N 1.613 121.174 119.600 -0.065 0.000 2.108 25 M HA -0.208 4.272 4.480 0.001 0.000 0.257 25 M C 2.155 178.469 176.300 0.023 0.000 1.071 25 M CA 2.552 57.809 55.300 -0.073 0.000 1.093 25 M CB -0.821 31.692 32.600 -0.146 0.000 1.345 25 M HN 0.568 nan 8.290 nan 0.000 0.403 26 T N -2.518 112.076 114.554 0.067 0.000 3.155 26 T HA -0.098 4.253 4.350 0.001 0.000 0.264 26 T C 0.780 175.449 174.700 -0.050 0.000 1.160 26 T CA 0.784 62.890 62.100 0.009 0.000 1.075 26 T CB -0.712 68.141 68.868 -0.025 0.000 0.921 26 T HN 0.516 nan 8.240 nan 0.000 0.533 27 Y N 0.470 120.743 120.300 -0.044 0.000 2.467 27 Y HA 0.503 5.053 4.550 0.001 0.000 0.250 27 Y C 0.736 176.621 175.900 -0.024 0.000 1.155 27 Y CA -1.574 56.507 58.100 -0.031 0.000 1.249 27 Y CB 0.283 38.725 38.460 -0.029 0.000 1.146 27 Y HN 0.286 nan 8.280 nan 0.000 0.524 28 I N 0.119 120.749 120.570 0.101 0.000 2.312 28 I HA 0.115 4.285 4.170 0.001 0.000 0.291 28 I C 1.147 177.276 176.117 0.021 0.000 1.031 28 I CA 0.081 61.416 61.300 0.058 0.000 1.293 28 I CB 1.577 39.607 38.000 0.050 0.000 1.403 28 I HN -0.033 nan 8.210 nan 0.000 0.484 29 T N 2.412 116.973 114.554 0.012 0.000 3.038 29 T HA -0.012 4.339 4.350 0.001 0.000 0.244 29 T C 0.680 175.373 174.700 -0.012 0.000 1.016 29 T CA 0.063 62.153 62.100 -0.016 0.000 1.098 29 T CB 0.057 68.907 68.868 -0.029 0.000 0.954 29 T HN 0.599 nan 8.240 nan 0.000 0.469 30 D N 2.225 122.628 120.400 0.006 0.000 2.472 30 D HA 0.095 4.735 4.640 0.001 0.000 0.248 30 D C -1.741 174.569 176.300 0.017 0.000 1.174 30 D CA -1.806 52.200 54.000 0.010 0.000 0.883 30 D CB 1.642 42.456 40.800 0.025 0.000 1.149 30 D HN 0.142 nan 8.370 nan 0.000 0.488 31 P HA -0.107 nan 4.420 nan 0.000 0.222 31 P C 0.840 178.167 177.300 0.045 0.000 1.147 31 P CA 0.950 64.061 63.100 0.019 0.000 0.790 31 P CB 0.315 32.022 31.700 0.011 0.000 0.780 32 K N -0.837 119.591 120.400 0.047 0.000 2.379 32 K HA 0.014 4.335 4.320 0.001 0.000 0.194 32 K C 1.249 177.891 176.600 0.070 0.000 1.031 32 K CA 0.826 57.149 56.287 0.060 0.000 1.037 32 K CB -0.325 32.208 32.500 0.053 0.000 0.824 32 K HN -0.043 nan 8.250 nan 0.000 0.516 33 D N -0.537 119.904 120.400 0.069 0.000 2.323 33 D HA 0.021 4.662 4.640 0.001 0.000 0.218 33 D C 1.575 177.939 176.300 0.105 0.000 0.973 33 D CA 0.230 54.281 54.000 0.084 0.000 0.890 33 D CB 0.321 41.166 40.800 0.075 0.000 1.011 33 D HN -0.039 nan 8.370 nan 0.000 0.499 34 R N 1.167 121.721 120.500 0.090 0.000 2.091 34 R HA -0.131 4.210 4.340 0.001 0.000 0.238 34 R C 1.717 178.100 176.300 0.140 0.000 1.136 34 R CA 1.006 57.169 56.100 0.105 0.000 0.959 34 R CB -0.930 29.415 30.300 0.074 0.000 0.856 34 R HN 0.278 nan 8.270 nan 0.000 0.437 35 D N 0.157 120.632 120.400 0.126 0.000 2.106 35 D HA -0.139 4.502 4.640 0.001 0.000 0.191 35 D C 1.751 178.137 176.300 0.143 0.000 0.997 35 D CA 2.360 56.443 54.000 0.138 0.000 0.834 35 D CB 0.092 40.958 40.800 0.111 0.000 0.956 35 D HN 0.146 nan 8.370 nan 0.000 0.448 36 S N 0.096 115.872 115.700 0.128 0.000 2.348 36 S HA -0.166 4.305 4.470 0.001 0.000 0.221 36 S C 2.216 176.918 174.600 0.170 0.000 1.033 36 S CA 1.066 59.340 58.200 0.123 0.000 1.010 36 S CB -0.744 62.519 63.200 0.104 0.000 0.891 36 S HN 0.419 nan 8.310 nan 0.000 0.442 37 A N 2.257 125.213 122.820 0.226 0.000 1.997 37 A HA -0.179 4.142 4.320 0.001 0.000 0.221 37 A C 2.339 180.161 177.584 0.396 0.000 1.172 37 A CA 2.172 54.436 52.037 0.378 0.000 0.645 37 A CB -1.152 18.052 19.000 0.339 0.000 0.813 37 A HN 0.678 nan 8.150 nan 0.000 0.454 38 S N -1.124 114.749 115.700 0.287 0.000 2.507 38 S HA 0.107 4.578 4.470 0.001 0.000 0.235 38 S C 1.256 176.063 174.600 0.346 0.000 0.988 38 S CA 1.164 59.553 58.200 0.316 0.000 0.944 38 S CB -0.293 63.070 63.200 0.273 0.000 0.762 38 S HN 0.449 nan 8.310 nan 0.000 0.526 39 L N 1.255 122.612 121.223 0.224 0.000 2.766 39 L HA 0.314 4.654 4.340 0.001 0.000 0.242 39 L C 1.996 178.887 176.870 0.035 0.000 1.136 39 L CA 0.132 55.047 54.840 0.126 0.000 0.933 39 L CB 0.763 42.876 42.059 0.089 0.000 1.241 39 L HN 0.364 nan 8.230 nan 0.000 0.522 40 V N -1.790 118.124 119.914 -0.000 0.000 2.719 40 V HA 0.031 4.152 4.120 0.001 0.000 0.252 40 V C 0.656 176.616 176.094 -0.223 0.000 1.065 40 V CA 0.744 62.916 62.300 -0.213 0.000 1.086 40 V CB -0.257 31.221 31.823 -0.577 0.000 0.700 40 V HN 0.561 nan 8.190 nan 0.000 0.467 41 C N -2.507 116.741 119.300 -0.087 0.000 3.034 41 C HA 0.405 4.866 4.460 0.001 0.000 0.336 41 C C 1.168 176.222 174.990 0.107 0.000 1.304 41 C CA -0.392 58.602 59.018 -0.041 0.000 1.197 41 C CB 0.878 28.543 27.740 -0.124 0.000 1.373 41 C HN 0.395 nan 8.230 nan 0.000 0.459 42 R N 0.262 120.809 120.500 0.078 0.000 2.105 42 R HA -0.119 4.222 4.340 0.001 0.000 0.239 42 R C 2.487 178.943 176.300 0.260 0.000 1.135 42 R CA 2.143 58.319 56.100 0.128 0.000 0.967 42 R CB -0.252 30.081 30.300 0.055 0.000 0.861 42 R HN 0.733 nan 8.270 nan 0.000 0.442 43 R N -0.214 120.437 120.500 0.252 0.000 2.066 43 R HA -0.152 4.189 4.340 0.001 0.000 0.232 43 R C 1.880 178.393 176.300 0.356 0.000 1.131 43 R CA 1.505 57.774 56.100 0.281 0.000 0.955 43 R CB -0.178 30.287 30.300 0.275 0.000 0.851 43 R HN 0.221 nan 8.270 nan 0.000 0.432 44 W N 0.286 121.649 121.300 0.105 0.000 2.338 44 W HA -0.206 4.454 4.660 0.001 0.000 0.304 44 W C 2.050 178.636 176.519 0.112 0.000 1.212 44 W CA 1.002 58.404 57.345 0.094 0.000 1.264 44 W CB -1.045 28.469 29.460 0.089 0.000 1.142 44 W HN 0.117 nan 8.180 nan 0.000 0.512 45 F N 1.577 121.685 119.950 0.263 0.000 2.091 45 F HA -0.272 4.256 4.527 0.001 0.000 0.299 45 F C 2.370 178.224 175.800 0.091 0.000 1.103 45 F CA 2.537 60.624 58.000 0.145 0.000 1.228 45 F CB -0.583 38.470 39.000 0.089 0.000 0.984 45 F HN -0.202 nan 8.300 nan 0.000 0.477 46 K N 0.379 120.871 120.400 0.152 0.000 2.148 46 K HA -0.111 4.209 4.320 0.001 0.000 0.204 46 K C 2.096 178.649 176.600 -0.078 0.000 1.050 46 K CA 1.643 57.927 56.287 -0.005 0.000 0.942 46 K CB -0.234 32.349 32.500 0.138 0.000 0.724 46 K HN 0.410 nan 8.250 nan 0.000 0.446 47 I N 0.692 121.248 120.570 -0.023 0.000 2.286 47 I HA -0.235 3.935 4.170 0.001 0.000 0.245 47 I C 2.071 178.147 176.117 -0.067 0.000 1.104 47 I CA 1.471 62.740 61.300 -0.053 0.000 1.397 47 I CB -0.382 37.563 38.000 -0.091 0.000 1.072 47 I HN 0.317 nan 8.210 nan 0.000 0.417 48 D N 0.572 120.931 120.400 -0.069 0.000 2.097 48 D HA -0.259 4.382 4.640 0.001 0.000 0.195 48 D C 2.271 178.564 176.300 -0.012 0.000 0.989 48 D CA 1.860 55.844 54.000 -0.026 0.000 0.827 48 D CB -0.037 40.774 40.800 0.017 0.000 0.966 48 D HN 0.143 nan 8.370 nan 0.000 0.456 49 S N -0.564 115.012 115.700 -0.207 0.000 2.380 49 S HA -0.266 4.204 4.470 0.001 0.000 0.229 49 S C 1.746 176.336 174.600 -0.017 0.000 1.043 49 S CA 1.713 59.776 58.200 -0.230 0.000 1.038 49 S CB -0.521 62.362 63.200 -0.528 0.000 0.872 49 S HN 0.448 nan 8.310 nan 0.000 0.456 50 E N -0.393 119.787 120.200 -0.034 0.000 2.478 50 E HA 0.036 4.387 4.350 0.001 0.000 0.194 50 E C 1.652 178.264 176.600 0.020 0.000 1.045 50 E CA 0.983 57.385 56.400 0.003 0.000 0.868 50 E CB 0.225 29.918 29.700 -0.011 0.000 0.885 50 E HN 0.862 nan 8.360 nan 0.000 0.505 51 T N -2.223 112.345 114.554 0.023 0.000 2.971 51 T HA 0.155 4.506 4.350 0.001 0.000 0.252 51 T C 0.912 175.620 174.700 0.013 0.000 1.022 51 T CA -0.507 61.599 62.100 0.009 0.000 0.980 51 T CB 0.194 69.054 68.868 -0.012 0.000 1.044 51 T HN -0.183 nan 8.240 nan 0.000 0.501 52 R N 2.152 122.682 120.500 0.050 0.000 2.502 52 R HA 0.141 4.482 4.340 0.001 0.000 0.292 52 R C 0.961 177.222 176.300 -0.064 0.000 0.998 52 R CA 0.530 56.612 56.100 -0.029 0.000 1.056 52 R CB 0.166 30.398 30.300 -0.114 0.000 0.939 52 R HN 0.437 nan 8.270 nan 0.000 0.411 53 E N 1.504 121.661 120.200 -0.073 0.000 2.244 53 E HA -0.017 4.333 4.350 0.001 0.000 0.196 53 E C -0.058 176.517 176.600 -0.041 0.000 0.939 53 E CA 0.266 56.640 56.400 -0.044 0.000 0.884 53 E CB 0.182 29.867 29.700 -0.024 0.000 0.850 53 E HN 0.506 nan 8.360 nan 0.000 0.481 54 H N 0.628 119.597 119.070 -0.169 0.000 2.589 54 H HA 0.449 5.006 4.556 0.001 0.000 0.351 54 H C -1.432 173.750 175.328 -0.244 0.000 1.074 54 H CA -0.504 55.441 56.048 -0.170 0.000 1.203 54 H CB 1.305 30.993 29.762 -0.122 0.000 1.558 54 H HN -0.185 nan 8.280 nan 0.000 0.522 55 V N 3.900 123.427 119.914 -0.645 0.000 2.914 55 V HA 0.381 4.501 4.120 0.001 0.000 0.314 55 V C -0.210 175.586 176.094 -0.498 0.000 1.084 55 V CA -0.663 61.369 62.300 -0.447 0.000 0.963 55 V CB 2.265 33.849 31.823 -0.399 0.000 1.025 55 V HN 0.899 nan 8.190 nan 0.000 0.432 56 T N 4.731 119.173 114.554 -0.187 0.000 2.841 56 T HA 0.555 4.905 4.350 0.001 0.000 0.285 56 T C -0.488 174.148 174.700 -0.106 0.000 0.991 56 T CA -0.375 61.641 62.100 -0.140 0.000 0.966 56 T CB 1.113 69.985 68.868 0.006 0.000 0.962 56 T HN 0.483 nan 8.240 nan 0.000 0.438 57 M N 2.672 122.179 119.600 -0.155 0.000 2.080 57 M HA 0.423 4.904 4.480 0.001 0.000 0.350 57 M C 1.276 177.505 176.300 -0.118 0.000 1.173 57 M CA -0.780 54.451 55.300 -0.114 0.000 1.052 57 M CB 1.448 33.946 32.600 -0.170 0.000 1.577 57 M HN 0.774 nan 8.290 nan 0.000 0.455 58 A N 4.436 127.217 122.820 -0.065 0.000 2.119 58 A HA 0.151 4.472 4.320 0.001 0.000 0.217 58 A C 0.758 178.291 177.584 -0.086 0.000 1.153 58 A CA 0.921 52.901 52.037 -0.095 0.000 0.692 58 A CB 0.261 19.210 19.000 -0.085 0.000 0.799 58 A HN 0.749 nan 8.150 nan 0.000 0.458 59 L N 0.153 121.361 121.223 -0.026 0.000 2.541 59 L HA 0.183 4.524 4.340 0.001 0.000 0.266 59 L C 0.965 177.833 176.870 -0.004 0.000 0.966 59 L CA -0.710 54.140 54.840 0.018 0.000 0.871 59 L CB 1.585 43.706 42.059 0.103 0.000 1.232 59 L HN 0.457 nan 8.230 nan 0.000 0.408 60 C N 1.823 121.052 119.300 -0.118 0.000 2.419 60 C HA -0.122 4.339 4.460 0.001 0.000 0.283 60 C C 1.755 176.759 174.990 0.023 0.000 1.373 60 C CA 0.309 59.206 59.018 -0.201 0.000 1.781 60 C CB -1.408 26.070 27.740 -0.436 0.000 1.886 60 C HN 0.788 nan 8.230 nan 0.000 0.520 61 Y N 0.883 121.276 120.300 0.154 0.000 2.529 61 Y HA 0.049 4.600 4.550 0.001 0.000 0.290 61 Y C 2.799 178.863 175.900 0.273 0.000 1.177 61 Y CA 0.956 59.172 58.100 0.192 0.000 1.305 61 Y CB -0.332 38.175 38.460 0.077 0.000 1.047 61 Y HN 0.343 nan 8.280 nan 0.000 0.522 62 T N -0.393 114.374 114.554 0.354 0.000 2.985 62 T HA 0.311 4.662 4.350 0.001 0.000 0.266 62 T C 0.493 175.398 174.700 0.342 0.000 1.076 62 T CA 0.741 63.066 62.100 0.375 0.000 1.135 62 T CB -0.138 68.910 68.868 0.300 0.000 0.890 62 T HN 0.273 nan 8.240 nan 0.000 0.480 63 A N 0.057 123.083 122.820 0.343 0.000 2.606 63 A HA 0.614 4.935 4.320 0.001 0.000 0.293 63 A C -0.201 177.561 177.584 0.296 0.000 1.082 63 A CA -0.838 51.381 52.037 0.304 0.000 0.685 63 A CB 0.900 20.069 19.000 0.283 0.000 1.284 63 A HN 0.248 nan 8.150 nan 0.000 0.408 64 T N 1.016 115.663 114.554 0.155 0.000 2.918 64 T HA 0.385 4.736 4.350 0.001 0.000 0.302 64 T C -2.054 172.537 174.700 -0.182 0.000 1.045 64 T CA -0.866 61.221 62.100 -0.023 0.000 1.114 64 T CB 0.529 69.386 68.868 -0.018 0.000 0.965 64 T HN 0.336 nan 8.240 nan 0.000 0.540 65 P HA -0.028 nan 4.420 nan 0.000 0.223 65 P C 1.097 178.260 177.300 -0.228 0.000 1.151 65 P CA 0.577 63.204 63.100 -0.788 0.000 0.787 65 P CB 0.097 31.067 31.700 -1.217 0.000 0.788 66 D N 0.083 120.382 120.400 -0.169 0.000 2.104 66 D HA -0.203 4.438 4.640 0.001 0.000 0.194 66 D C 2.107 178.407 176.300 0.000 0.000 0.994 66 D CA 1.184 55.145 54.000 -0.064 0.000 0.830 66 D CB -0.366 40.403 40.800 -0.051 0.000 0.959 66 D HN -0.086 nan 8.370 nan 0.000 0.452 67 R N -0.449 120.065 120.500 0.023 0.000 2.105 67 R HA -0.150 4.190 4.340 0.001 0.000 0.239 67 R C 2.361 178.717 176.300 0.094 0.000 1.135 67 R CA 1.295 57.433 56.100 0.064 0.000 0.967 67 R CB -0.453 29.902 30.300 0.092 0.000 0.861 67 R HN 0.332 nan 8.270 nan 0.000 0.442 68 L N 0.628 121.946 121.223 0.157 0.000 2.027 68 L HA -0.117 4.224 4.340 0.001 0.000 0.206 68 L C 2.336 179.321 176.870 0.193 0.000 1.074 68 L CA 2.385 57.372 54.840 0.244 0.000 0.745 68 L CB -0.546 41.748 42.059 0.392 0.000 0.898 68 L HN 0.323 nan 8.230 nan 0.000 0.433 69 S N -0.383 115.398 115.700 0.136 0.000 2.387 69 S HA -0.236 4.235 4.470 0.001 0.000 0.226 69 S C 2.228 176.864 174.600 0.060 0.000 1.026 69 S CA 0.900 59.163 58.200 0.106 0.000 0.972 69 S CB -0.706 62.535 63.200 0.070 0.000 0.814 69 S HN 0.625 nan 8.310 nan 0.000 0.477 70 R N 1.337 121.858 120.500 0.035 0.000 2.081 70 R HA -0.025 4.316 4.340 0.001 0.000 0.235 70 R C 2.530 178.805 176.300 -0.040 0.000 1.131 70 R CA 1.561 57.666 56.100 0.009 0.000 0.960 70 R CB -0.302 30.007 30.300 0.016 0.000 0.856 70 R HN 0.436 nan 8.270 nan 0.000 0.436 71 R N -0.311 120.124 120.500 -0.107 0.000 2.075 71 R HA 0.013 4.354 4.340 0.001 0.000 0.226 71 R C -0.086 175.857 176.300 -0.596 0.000 1.114 71 R CA 1.398 57.263 56.100 -0.393 0.000 0.972 71 R CB 0.124 30.096 30.300 -0.547 0.000 0.869 71 R HN 0.270 nan 8.270 nan 0.000 0.437 72 F N -0.042 119.913 119.950 0.009 0.000 2.584 72 F HA 0.393 4.921 4.527 0.001 0.000 0.328 72 F C -1.862 173.937 175.800 -0.001 0.000 1.407 72 F CA -2.238 55.754 58.000 -0.013 0.000 1.145 72 F CB 2.009 41.004 39.000 -0.008 0.000 1.440 72 F HN -0.007 nan 8.300 nan 0.000 0.580 73 P HA -0.127 nan 4.420 nan 0.000 0.221 73 P C -0.067 177.278 177.300 0.076 0.000 1.145 73 P CA 1.511 64.659 63.100 0.080 0.000 0.795 73 P CB 0.110 31.836 31.700 0.043 0.000 0.775 74 N N -1.491 117.260 118.700 0.086 0.000 2.351 74 N HA 0.173 4.914 4.740 0.001 0.000 0.254 74 N C -0.299 175.234 175.510 0.038 0.000 1.241 74 N CA -0.307 52.773 53.050 0.051 0.000 0.883 74 N CB 0.018 38.527 38.487 0.037 0.000 1.202 74 N HN 0.022 nan 8.380 nan 0.000 0.512 75 L N 0.878 122.129 121.223 0.046 0.000 2.573 75 L HA -0.055 4.285 4.340 0.001 0.000 0.290 75 L C 1.402 178.265 176.870 -0.012 0.000 1.247 75 L CA 0.505 55.341 54.840 -0.007 0.000 0.876 75 L CB 0.539 42.589 42.059 -0.016 0.000 1.123 75 L HN 0.321 nan 8.230 nan 0.000 0.505 76 R N 0.686 121.170 120.500 -0.028 0.000 2.257 76 R HA 0.167 4.508 4.340 0.001 0.000 0.195 76 R C 0.254 176.537 176.300 -0.028 0.000 0.921 76 R CA 0.221 56.310 56.100 -0.019 0.000 1.069 76 R CB 0.588 30.880 30.300 -0.013 0.000 1.115 76 R HN 0.586 nan 8.270 nan 0.000 0.571 77 S N 0.734 116.407 115.700 -0.045 0.000 2.538 77 S HA 0.609 5.080 4.470 0.001 0.000 0.288 77 S C -1.443 173.006 174.600 -0.251 0.000 1.108 77 S CA -0.641 57.522 58.200 -0.062 0.000 0.971 77 S CB 1.021 64.292 63.200 0.119 0.000 1.041 77 S HN 0.058 nan 8.310 nan 0.000 0.483 78 L N 3.639 124.717 121.223 -0.243 0.000 2.354 78 L HA 0.794 5.134 4.340 0.001 0.000 0.264 78 L C -1.147 175.550 176.870 -0.288 0.000 1.008 78 L CA -0.321 54.328 54.840 -0.318 0.000 0.819 78 L CB 1.910 43.868 42.059 -0.168 0.000 1.339 78 L HN 0.786 nan 8.230 nan 0.000 0.420 79 K N 4.339 124.551 120.400 -0.313 0.000 2.619 79 K HA 0.586 4.906 4.320 0.001 0.000 0.251 79 K C -2.234 174.209 176.600 -0.262 0.000 0.987 79 K CA -0.467 55.671 56.287 -0.248 0.000 0.844 79 K CB 1.044 33.417 32.500 -0.212 0.000 1.237 79 K HN 0.688 nan 8.250 nan 0.000 0.447 80 L N 3.646 124.743 121.223 -0.210 0.000 2.346 80 L HA 0.578 4.919 4.340 0.001 0.000 0.276 80 L C -0.433 176.325 176.870 -0.188 0.000 1.006 80 L CA -1.071 53.609 54.840 -0.266 0.000 0.817 80 L CB 1.940 43.756 42.059 -0.404 0.000 1.272 80 L HN 0.463 nan 8.230 nan 0.000 0.421 81 K N 0.840 121.120 120.400 -0.200 0.000 2.207 81 K HA 0.629 4.949 4.320 0.001 0.000 0.255 81 K C 0.194 176.734 176.600 -0.099 0.000 0.941 81 K CA -0.497 55.705 56.287 -0.141 0.000 0.825 81 K CB 2.578 34.985 32.500 -0.155 0.000 1.119 81 K HN 0.775 nan 8.250 nan 0.000 0.430 82 G N 1.848 110.630 108.800 -0.030 0.000 2.583 82 G HA2 0.107 4.067 3.960 0.001 0.000 0.214 82 G HA3 0.107 4.067 3.960 0.001 0.000 0.214 82 G C -0.513 174.518 174.900 0.218 0.000 2.072 82 G CA -0.329 44.831 45.100 0.100 0.000 0.745 82 G HN 0.402 nan 8.290 nan 0.000 0.762 83 K N 1.736 122.245 120.400 0.182 0.000 2.561 83 K HA 0.121 4.442 4.320 0.001 0.000 0.280 83 K C -2.233 174.186 176.600 -0.301 0.000 0.975 83 K CA -0.759 55.408 56.287 -0.200 0.000 1.024 83 K CB 0.415 32.840 32.500 -0.125 0.000 0.883 83 K HN 0.091 nan 8.250 nan 0.000 0.496 84 P HA -0.044 nan 4.420 nan 0.000 0.270 84 P C 0.317 177.421 177.300 -0.326 0.000 1.221 84 P CA 0.022 62.918 63.100 -0.339 0.000 0.788 84 P CB 0.500 31.884 31.700 -0.527 0.000 0.904 85 R N 1.398 121.733 120.500 -0.276 0.000 2.152 85 R HA -0.131 4.210 4.340 0.001 0.000 0.232 85 R C 1.976 178.186 176.300 -0.150 0.000 1.117 85 R CA 1.531 57.521 56.100 -0.183 0.000 0.981 85 R CB -0.773 29.454 30.300 -0.120 0.000 0.870 85 R HN 0.527 nan 8.270 nan 0.000 0.451 86 A N 0.564 123.118 122.820 -0.443 0.000 2.076 86 A HA -0.135 4.186 4.320 0.001 0.000 0.220 86 A C 2.180 179.677 177.584 -0.145 0.000 1.160 86 A CA 1.571 53.356 52.037 -0.421 0.000 0.653 86 A CB -0.450 17.837 19.000 -1.189 0.000 0.801 86 A HN 0.442 nan 8.150 nan 0.000 0.455 87 A N -0.581 122.110 122.820 -0.216 0.000 2.067 87 A HA -0.023 4.298 4.320 0.001 0.000 0.219 87 A C 1.985 179.503 177.584 -0.110 0.000 1.158 87 A CA 1.401 53.346 52.037 -0.152 0.000 0.661 87 A CB -0.515 18.377 19.000 -0.180 0.000 0.801 87 A HN 0.542 nan 8.150 nan 0.000 0.452 88 M N -1.520 118.002 119.600 -0.129 0.000 2.686 88 M HA 0.100 4.581 4.480 0.001 0.000 0.246 88 M C -0.182 175.729 176.300 -0.648 0.000 1.096 88 M CA 0.785 55.869 55.300 -0.360 0.000 1.076 88 M CB -0.065 32.266 32.600 -0.448 0.000 1.504 88 M HN 0.451 nan 8.290 nan 0.000 0.524 89 F N -0.358 119.536 119.950 -0.093 0.000 2.814 89 F HA 0.305 4.832 4.527 0.001 0.000 0.326 89 F C 0.239 176.001 175.800 -0.062 0.000 1.159 89 F CA -0.787 57.175 58.000 -0.063 0.000 1.234 89 F CB 0.046 39.013 39.000 -0.054 0.000 1.016 89 F HN 0.089 nan 8.300 nan 0.000 0.510 90 N N 1.755 120.471 118.700 0.027 0.000 2.714 90 N HA -0.198 4.543 4.740 0.001 0.000 0.253 90 N C 0.446 175.949 175.510 -0.011 0.000 1.024 90 N CA 0.643 53.695 53.050 0.002 0.000 0.726 90 N CB -1.213 37.279 38.487 0.007 0.000 0.908 90 N HN 0.455 nan 8.380 nan 0.000 0.542 91 L N -1.168 120.059 121.223 0.007 0.000 2.717 91 L HA 0.271 4.612 4.340 0.001 0.000 0.239 91 L C 0.559 177.516 176.870 0.146 0.000 1.086 91 L CA 0.241 55.104 54.840 0.037 0.000 0.897 91 L CB 0.323 42.423 42.059 0.068 0.000 1.214 91 L HN 0.101 nan 8.230 nan 0.000 0.508 92 I N 1.323 121.910 120.570 0.028 0.000 2.359 92 I HA 0.341 4.511 4.170 0.001 0.000 0.294 92 I C -2.127 174.018 176.117 0.047 0.000 0.987 92 I CA -2.583 58.730 61.300 0.022 0.000 1.225 92 I CB 1.163 39.062 38.000 -0.169 0.000 1.366 92 I HN -0.304 nan 8.210 nan 0.000 0.466 93 P HA -0.040 nan 4.420 nan 0.000 0.265 93 P C 0.741 178.123 177.300 0.136 0.000 1.187 93 P CA 0.283 63.458 63.100 0.125 0.000 0.766 93 P CB 0.895 32.700 31.700 0.174 0.000 0.820 94 E N 3.505 123.763 120.200 0.097 0.000 2.072 94 E HA -0.210 4.141 4.350 0.001 0.000 0.191 94 E C 1.140 177.804 176.600 0.106 0.000 0.985 94 E CA 1.698 58.145 56.400 0.078 0.000 0.801 94 E CB -0.620 29.107 29.700 0.045 0.000 0.750 94 E HN 0.413 nan 8.360 nan 0.000 0.452 95 N N -0.332 118.444 118.700 0.126 0.000 2.434 95 N HA -0.093 4.648 4.740 0.001 0.000 0.196 95 N C 1.202 176.798 175.510 0.145 0.000 1.183 95 N CA 0.347 53.475 53.050 0.130 0.000 0.849 95 N CB -1.117 37.449 38.487 0.131 0.000 0.992 95 N HN 0.329 nan 8.380 nan 0.000 0.460 96 W N 1.794 123.099 121.300 0.007 0.000 2.325 96 W HA 0.032 4.693 4.660 0.001 0.000 0.299 96 W C 0.715 177.246 176.519 0.021 0.000 1.215 96 W CA 2.299 59.658 57.345 0.025 0.000 1.244 96 W CB -0.098 29.382 29.460 0.033 0.000 1.140 96 W HN 0.332 nan 8.180 nan 0.000 0.523 97 G N -2.618 106.094 108.800 -0.146 0.000 2.347 97 G HA2 0.409 4.369 3.960 0.001 0.000 0.341 97 G HA3 0.409 4.369 3.960 0.001 0.000 0.341 97 G C 0.178 174.989 174.900 -0.148 0.000 1.287 97 G CA -0.074 44.778 45.100 -0.414 0.000 0.984 97 G HN 1.114 nan 8.290 nan 0.000 0.526 98 G N -1.871 106.890 108.800 -0.065 0.000 2.151 98 G HA2 0.068 4.029 3.960 0.001 0.000 0.140 98 G HA3 0.068 4.029 3.960 0.001 0.000 0.140 98 G C 0.250 175.062 174.900 -0.147 0.000 1.020 98 G CA 0.310 45.389 45.100 -0.035 0.000 0.688 98 G HN 1.496 nan 8.290 nan 0.000 0.500 99 Y N -0.538 119.780 120.300 0.029 0.000 2.712 99 Y HA 0.284 4.834 4.550 0.001 0.000 0.333 99 Y C 1.575 177.464 175.900 -0.017 0.000 1.225 99 Y CA 0.783 58.886 58.100 0.005 0.000 1.499 99 Y CB 1.389 39.868 38.460 0.032 0.000 1.288 99 Y HN -0.023 nan 8.280 nan 0.000 0.575 100 V N 2.416 122.360 119.914 0.049 0.000 3.644 100 V HA -0.127 3.994 4.120 0.001 0.000 0.267 100 V C 1.826 177.955 176.094 0.058 0.000 1.277 100 V CA 1.385 63.623 62.300 -0.104 0.000 1.096 100 V CB -0.309 31.144 31.823 -0.617 0.000 0.828 100 V HN 1.101 nan 8.190 nan 0.000 0.446 101 T N -0.545 114.052 114.554 0.072 0.000 2.652 101 T HA -0.100 4.251 4.350 0.001 0.000 0.267 101 T C -0.007 174.705 174.700 0.019 0.000 1.039 101 T CA 1.710 63.834 62.100 0.040 0.000 1.153 101 T CB -1.722 67.156 68.868 0.017 0.000 0.863 101 T HN 0.403 nan 8.240 nan 0.000 0.428 102 P HA -0.066 nan 4.420 nan 0.000 0.217 102 P C 0.740 177.882 177.300 -0.264 0.000 1.148 102 P CA 1.197 64.183 63.100 -0.191 0.000 0.828 102 P CB -0.355 31.155 31.700 -0.317 0.000 0.783 103 W N -0.461 120.828 121.300 -0.018 0.000 2.409 103 W HA -0.066 4.595 4.660 0.001 0.000 0.299 103 W C 2.387 178.934 176.519 0.047 0.000 1.203 103 W CA 0.916 58.270 57.345 0.015 0.000 1.298 103 W CB -1.303 28.165 29.460 0.014 0.000 1.127 103 W HN -0.185 nan 8.180 nan 0.000 0.528 104 V N -0.010 120.043 119.914 0.231 0.000 2.548 104 V HA -0.192 3.929 4.120 0.001 0.000 0.249 104 V C 2.053 178.197 176.094 0.083 0.000 1.055 104 V CA 2.459 64.862 62.300 0.171 0.000 1.065 104 V CB -1.215 30.699 31.823 0.151 0.000 0.681 104 V HN 0.264 nan 8.190 nan 0.000 0.462 105 T N -1.881 112.693 114.554 0.033 0.000 2.915 105 T HA -0.145 4.206 4.350 0.001 0.000 0.269 105 T C 1.749 176.445 174.700 -0.005 0.000 1.071 105 T CA 1.617 63.717 62.100 0.000 0.000 1.132 105 T CB -0.375 68.478 68.868 -0.025 0.000 0.878 105 T HN 0.597 nan 8.240 nan 0.000 0.479 106 E N 1.241 121.433 120.200 -0.013 0.000 2.107 106 E HA 0.074 4.424 4.350 0.001 0.000 0.191 106 E C 1.950 178.579 176.600 0.048 0.000 0.982 106 E CA 0.737 57.131 56.400 -0.010 0.000 0.809 106 E CB -0.555 29.106 29.700 -0.064 0.000 0.756 106 E HN 0.658 nan 8.360 nan 0.000 0.459 107 I N -0.018 120.608 120.570 0.094 0.000 2.252 107 I HA -0.242 3.929 4.170 0.001 0.000 0.245 107 I C 2.455 178.605 176.117 0.056 0.000 1.102 107 I CA 1.157 62.514 61.300 0.095 0.000 1.385 107 I CB -0.428 37.648 38.000 0.126 0.000 1.064 107 I HN 0.140 nan 8.210 nan 0.000 0.414 108 S N 0.851 116.578 115.700 0.044 0.000 2.387 108 S HA -0.224 4.246 4.470 0.001 0.000 0.230 108 S C 1.641 176.250 174.600 0.015 0.000 1.035 108 S CA 2.218 60.431 58.200 0.022 0.000 1.014 108 S CB -0.412 62.796 63.200 0.013 0.000 0.836 108 S HN 0.534 nan 8.310 nan 0.000 0.466 109 N N -0.614 118.095 118.700 0.015 0.000 2.454 109 N HA 0.185 4.925 4.740 0.001 0.000 0.177 109 N C 0.713 176.231 175.510 0.014 0.000 1.049 109 N CA 0.470 53.525 53.050 0.008 0.000 0.887 109 N CB 0.226 38.712 38.487 -0.001 0.000 1.095 109 N HN 0.299 nan 8.380 nan 0.000 0.446 110 N N -0.094 118.619 118.700 0.023 0.000 2.129 110 N HA 0.184 4.924 4.740 0.001 0.000 0.222 110 N C -0.429 175.106 175.510 0.041 0.000 1.303 110 N CA 0.149 53.216 53.050 0.028 0.000 0.897 110 N CB 1.220 39.722 38.487 0.025 0.000 1.093 110 N HN 0.044 nan 8.380 nan 0.000 0.501 111 L N 1.394 122.646 121.223 0.049 0.000 2.956 111 L HA 0.365 4.706 4.340 0.001 0.000 0.232 111 L C 0.949 177.840 176.870 0.036 0.000 1.291 111 L CA -0.185 54.687 54.840 0.053 0.000 1.122 111 L CB 0.404 42.505 42.059 0.071 0.000 1.461 111 L HN -0.290 nan 8.230 nan 0.000 0.470 112 R N -0.005 120.512 120.500 0.028 0.000 2.346 112 R HA -0.085 4.255 4.340 0.001 0.000 0.199 112 R C 1.509 177.817 176.300 0.015 0.000 1.015 112 R CA 0.533 56.645 56.100 0.019 0.000 1.058 112 R CB -0.174 30.135 30.300 0.016 0.000 0.921 112 R HN 0.375 nan 8.270 nan 0.000 0.475 113 Q N -1.007 118.803 119.800 0.016 0.000 2.189 113 Q HA 0.202 4.543 4.340 0.001 0.000 0.223 113 Q C -0.741 175.261 176.000 0.003 0.000 0.828 113 Q CA -0.164 55.645 55.803 0.009 0.000 0.967 113 Q CB 0.559 29.304 28.738 0.012 0.000 1.139 113 Q HN 0.089 nan 8.270 nan 0.000 0.497 114 L N 1.837 123.062 121.223 0.004 0.000 2.462 114 L HA 0.085 4.426 4.340 0.001 0.000 0.272 114 L C 0.700 177.562 176.870 -0.014 0.000 1.166 114 L CA 0.983 55.818 54.840 -0.008 0.000 0.880 114 L CB 0.697 42.755 42.059 -0.003 0.000 1.142 114 L HN 0.210 nan 8.230 nan 0.000 0.473 115 K N 1.296 121.682 120.400 -0.022 0.000 2.440 115 K HA 0.266 4.586 4.320 0.001 0.000 0.207 115 K C 0.096 176.674 176.600 -0.037 0.000 1.112 115 K CA -0.126 56.147 56.287 -0.023 0.000 1.036 115 K CB 0.562 33.052 32.500 -0.017 0.000 0.935 115 K HN 0.411 nan 8.250 nan 0.000 0.564 116 S N 0.743 116.413 115.700 -0.050 0.000 2.614 116 S HA 0.469 4.940 4.470 0.001 0.000 0.275 116 S C -1.450 173.081 174.600 -0.115 0.000 1.161 116 S CA -0.546 57.612 58.200 -0.071 0.000 0.969 116 S CB 1.829 65.005 63.200 -0.039 0.000 1.059 116 S HN 0.040 nan 8.310 nan 0.000 0.482 117 V N 5.217 125.018 119.914 -0.189 0.000 2.588 117 V HA 0.528 4.649 4.120 0.001 0.000 0.304 117 V C -0.568 175.287 176.094 -0.397 0.000 1.042 117 V CA -0.683 61.411 62.300 -0.343 0.000 0.877 117 V CB 1.633 33.152 31.823 -0.507 0.000 0.996 117 V HN 0.999 nan 8.190 nan 0.000 0.425 118 H N 4.537 123.315 119.070 -0.487 0.000 2.800 118 H HA 0.598 5.154 4.556 0.001 0.000 0.322 118 H C -1.592 173.541 175.328 -0.326 0.000 0.979 118 H CA -0.742 55.094 56.048 -0.353 0.000 1.277 118 H CB 0.863 30.527 29.762 -0.163 0.000 1.484 118 H HN 0.491 nan 8.280 nan 0.000 0.512 119 F N 3.460 123.529 119.950 0.199 0.000 2.404 119 F HA 0.428 4.955 4.527 0.001 0.000 0.339 119 F C 0.324 176.214 175.800 0.151 0.000 1.105 119 F CA -0.829 57.211 58.000 0.067 0.000 1.087 119 F CB 1.448 40.446 39.000 -0.004 0.000 1.143 119 F HN 0.465 nan 8.300 nan 0.000 0.491 120 R N 2.268 122.883 120.500 0.191 0.000 2.502 120 R HA 0.491 4.831 4.340 0.001 0.000 0.300 120 R C -0.291 176.029 176.300 0.034 0.000 0.984 120 R CA -0.639 55.519 56.100 0.096 0.000 0.882 120 R CB 0.748 31.016 30.300 -0.054 0.000 1.180 120 R HN 0.734 nan 8.270 nan 0.000 0.444 121 R N 3.135 123.661 120.500 0.043 0.000 3.333 121 R HA -0.194 4.146 4.340 0.001 0.000 0.256 121 R C -0.548 175.767 176.300 0.024 0.000 1.010 121 R CA 1.059 57.167 56.100 0.013 0.000 0.680 121 R CB -1.261 29.019 30.300 -0.033 0.000 1.102 121 R HN 0.578 nan 8.270 nan 0.000 0.440 122 M N 0.373 119.992 119.600 0.031 0.000 2.777 122 M HA 0.493 4.974 4.480 0.001 0.000 0.307 122 M C 0.428 176.715 176.300 -0.021 0.000 1.228 122 M CA -1.095 54.191 55.300 -0.024 0.000 0.871 122 M CB 1.562 34.095 32.600 -0.113 0.000 1.721 122 M HN -0.080 nan 8.290 nan 0.000 0.487 123 I N 2.601 123.120 120.570 -0.085 0.000 2.297 123 I HA 0.301 4.471 4.170 0.001 0.000 0.291 123 I C -0.598 175.528 176.117 0.016 0.000 1.033 123 I CA -0.470 60.809 61.300 -0.034 0.000 1.253 123 I CB 0.338 38.238 38.000 -0.167 0.000 1.396 123 I HN 0.256 nan 8.210 nan 0.000 0.476 124 V N 5.881 125.857 119.914 0.103 0.000 2.378 124 V HA 0.294 4.414 4.120 0.001 0.000 0.288 124 V C 0.546 176.762 176.094 0.202 0.000 1.016 124 V CA -0.528 61.811 62.300 0.064 0.000 0.840 124 V CB 1.701 33.500 31.823 -0.040 0.000 0.994 124 V HN 0.895 nan 8.190 nan 0.000 0.431 125 S N 2.100 117.883 115.700 0.138 0.000 2.632 125 S HA 0.279 4.750 4.470 0.001 0.000 0.271 125 S C 0.713 175.393 174.600 0.134 0.000 1.260 125 S CA -0.499 57.793 58.200 0.155 0.000 1.010 125 S CB 1.435 64.701 63.200 0.110 0.000 0.965 125 S HN 0.621 nan 8.310 nan 0.000 0.534 126 D N 0.431 120.918 120.400 0.145 0.000 2.123 126 D HA -0.102 4.539 4.640 0.001 0.000 0.196 126 D C 1.699 178.038 176.300 0.066 0.000 0.992 126 D CA 1.143 55.210 54.000 0.112 0.000 0.833 126 D CB -0.374 40.487 40.800 0.103 0.000 0.954 126 D HN 0.498 nan 8.370 nan 0.000 0.455 127 L N 1.398 122.655 121.223 0.056 0.000 1.994 127 L HA -0.178 4.163 4.340 0.001 0.000 0.208 127 L C 1.508 178.394 176.870 0.027 0.000 1.071 127 L CA 2.139 57.000 54.840 0.035 0.000 0.745 127 L CB -0.906 41.170 42.059 0.028 0.000 0.892 127 L HN -0.004 nan 8.230 nan 0.000 0.431 128 D N -0.386 120.033 120.400 0.032 0.000 2.264 128 D HA -0.230 4.411 4.640 0.001 0.000 0.208 128 D C 2.030 178.348 176.300 0.030 0.000 0.966 128 D CA 1.790 55.806 54.000 0.027 0.000 0.864 128 D CB -0.776 40.038 40.800 0.024 0.000 0.933 128 D HN 0.612 nan 8.370 nan 0.000 0.499 129 L N -1.798 119.438 121.223 0.022 0.000 2.375 129 L HA 0.229 4.570 4.340 0.001 0.000 0.215 129 L C 1.794 178.667 176.870 0.005 0.000 1.108 129 L CA 1.090 55.938 54.840 0.012 0.000 0.830 129 L CB -0.482 41.555 42.059 -0.037 0.000 0.959 129 L HN -0.192 nan 8.230 nan 0.000 0.457 130 D N 0.902 121.307 120.400 0.010 0.000 2.104 130 D HA -0.236 4.405 4.640 0.001 0.000 0.194 130 D C 2.316 178.587 176.300 -0.049 0.000 0.994 130 D CA 1.702 55.699 54.000 -0.005 0.000 0.830 130 D CB 0.088 40.894 40.800 0.011 0.000 0.959 130 D HN 0.256 nan 8.370 nan 0.000 0.452 131 R N -0.139 120.346 120.500 -0.024 0.000 2.083 131 R HA -0.100 4.241 4.340 0.001 0.000 0.237 131 R C 2.496 178.781 176.300 -0.026 0.000 1.137 131 R CA 0.949 57.032 56.100 -0.029 0.000 0.951 131 R CB -0.597 29.702 30.300 -0.003 0.000 0.851 131 R HN 0.326 nan 8.270 nan 0.000 0.434 132 L N 0.396 121.623 121.223 0.006 0.000 1.989 132 L HA -0.233 4.108 4.340 0.001 0.000 0.211 132 L C 2.433 179.294 176.870 -0.015 0.000 1.071 132 L CA 1.834 56.687 54.840 0.022 0.000 0.749 132 L CB -0.629 41.468 42.059 0.064 0.000 0.890 132 L HN 0.266 nan 8.230 nan 0.000 0.431 133 A N 0.056 122.857 122.820 -0.031 0.000 1.873 133 A HA -0.287 4.034 4.320 0.001 0.000 0.218 133 A C 2.230 179.742 177.584 -0.120 0.000 1.193 133 A CA 2.235 54.249 52.037 -0.038 0.000 0.629 133 A CB -0.498 18.507 19.000 0.008 0.000 0.826 133 A HN 0.466 nan 8.150 nan 0.000 0.447 134 K N -0.485 119.760 120.400 -0.258 0.000 2.057 134 K HA -0.026 4.295 4.320 0.001 0.000 0.207 134 K C 2.315 178.845 176.600 -0.116 0.000 1.049 134 K CA 1.135 57.245 56.287 -0.296 0.000 0.931 134 K CB -0.343 31.963 32.500 -0.324 0.000 0.714 134 K HN 0.443 nan 8.250 nan 0.000 0.440 135 A N 1.049 123.825 122.820 -0.073 0.000 1.933 135 A HA -0.132 4.189 4.320 0.001 0.000 0.218 135 A C 2.071 179.646 177.584 -0.015 0.000 1.175 135 A CA 1.549 53.567 52.037 -0.032 0.000 0.628 135 A CB -0.160 18.832 19.000 -0.013 0.000 0.814 135 A HN 0.086 nan 8.150 nan 0.000 0.444 136 R N -2.281 118.211 120.500 -0.013 0.000 2.250 136 R HA 0.466 4.806 4.340 0.001 0.000 0.194 136 R C 1.256 177.558 176.300 0.004 0.000 0.927 136 R CA 0.965 57.064 56.100 -0.001 0.000 1.052 136 R CB -0.375 29.925 30.300 0.000 0.000 1.055 136 R HN 0.605 nan 8.270 nan 0.000 0.537 137 A N 0.916 123.741 122.820 0.009 0.000 5.468 137 A HA -0.412 3.909 4.320 0.001 0.000 0.338 137 A C 1.255 178.859 177.584 0.035 0.000 1.722 137 A CA 1.911 53.971 52.037 0.038 0.000 0.740 137 A CB -1.629 17.397 19.000 0.043 0.000 1.424 137 A HN 0.397 nan 8.150 nan 0.000 0.408 138 D N -0.451 119.969 120.400 0.034 0.000 2.203 138 D HA -0.094 4.546 4.640 0.001 0.000 0.199 138 D C 1.344 177.652 176.300 0.014 0.000 0.997 138 D CA 1.725 55.739 54.000 0.024 0.000 0.863 138 D CB -0.507 40.305 40.800 0.021 0.000 0.928 138 D HN 0.528 nan 8.370 nan 0.000 0.458 139 D N -0.389 120.017 120.400 0.010 0.000 2.263 139 D HA -0.080 4.561 4.640 0.001 0.000 0.208 139 D C 0.654 176.953 176.300 -0.003 0.000 0.971 139 D CA 0.098 54.100 54.000 0.003 0.000 0.867 139 D CB -0.142 40.659 40.800 0.002 0.000 0.929 139 D HN 0.167 nan 8.370 nan 0.000 0.492 140 L N 1.492 122.714 121.223 -0.002 0.000 2.515 140 L HA 0.024 4.364 4.340 0.001 0.000 0.281 140 L C 1.108 177.970 176.870 -0.013 0.000 1.131 140 L CA 0.408 55.240 54.840 -0.013 0.000 0.905 140 L CB 0.259 42.310 42.059 -0.013 0.000 1.246 140 L HN -0.089 nan 8.230 nan 0.000 0.463 141 E N 1.512 121.700 120.200 -0.019 0.000 2.140 141 E HA 0.010 4.361 4.350 0.001 0.000 0.191 141 E C 0.244 176.829 176.600 -0.026 0.000 0.973 141 E CA 0.788 57.177 56.400 -0.017 0.000 0.829 141 E CB 0.410 30.100 29.700 -0.017 0.000 0.781 141 E HN 0.661 nan 8.360 nan 0.000 0.466 142 T N -0.147 114.381 114.554 -0.043 0.000 2.912 142 T HA 0.493 4.843 4.350 0.001 0.000 0.299 142 T C -1.808 172.833 174.700 -0.098 0.000 1.052 142 T CA -0.884 61.179 62.100 -0.062 0.000 0.996 142 T CB 1.534 70.365 68.868 -0.061 0.000 1.070 142 T HN -0.024 nan 8.240 nan 0.000 0.465 143 L N 3.555 124.710 121.223 -0.114 0.000 2.441 143 L HA 0.664 5.005 4.340 0.001 0.000 0.270 143 L C -1.168 175.590 176.870 -0.187 0.000 0.973 143 L CA -0.332 54.409 54.840 -0.164 0.000 0.842 143 L CB 1.603 43.584 42.059 -0.130 0.000 1.239 143 L HN 0.726 nan 8.230 nan 0.000 0.406 144 K N 6.953 127.194 120.400 -0.265 0.000 2.464 144 K HA 0.465 4.785 4.320 0.001 0.000 0.252 144 K C -1.085 175.402 176.600 -0.189 0.000 1.000 144 K CA -0.503 55.603 56.287 -0.301 0.000 0.951 144 K CB 1.423 33.535 32.500 -0.646 0.000 1.183 144 K HN 0.587 nan 8.250 nan 0.000 0.445 145 L N 3.203 124.373 121.223 -0.088 0.000 2.375 145 L HA 0.139 4.479 4.340 0.001 0.000 0.276 145 L C -0.031 176.897 176.870 0.095 0.000 1.162 145 L CA -0.418 54.440 54.840 0.030 0.000 0.991 145 L CB -0.185 41.837 42.059 -0.062 0.000 1.315 145 L HN 0.485 nan 8.230 nan 0.000 0.431 146 D N 4.868 125.342 120.400 0.123 0.000 2.396 146 D HA 0.133 4.774 4.640 0.001 0.000 0.225 146 D C 0.266 176.644 176.300 0.130 0.000 1.121 146 D CA -0.358 53.716 54.000 0.124 0.000 0.853 146 D CB 0.540 41.477 40.800 0.229 0.000 1.043 146 D HN 0.311 nan 8.370 nan 0.000 0.500 147 K N 1.717 122.180 120.400 0.105 0.000 3.077 147 K HA -0.171 4.149 4.320 0.001 0.000 0.264 147 K C -0.324 176.330 176.600 0.089 0.000 1.008 147 K CA 0.400 56.727 56.287 0.066 0.000 0.740 147 K CB -2.336 30.173 32.500 0.015 0.000 1.273 147 K HN 0.411 nan 8.250 nan 0.000 0.477 148 C N -0.028 119.375 119.300 0.170 0.000 2.354 148 C HA 0.753 5.214 4.460 0.001 0.000 0.381 148 C C 1.024 176.158 174.990 0.240 0.000 1.240 148 C CA -0.336 58.801 59.018 0.199 0.000 2.089 148 C CB 1.568 29.457 27.740 0.249 0.000 2.234 148 C HN 0.619 nan 8.230 nan 0.000 0.544 149 S N -1.237 114.587 115.700 0.206 0.000 2.661 149 S HA 0.806 5.277 4.470 0.001 0.000 0.285 149 S C 0.061 174.764 174.600 0.171 0.000 1.138 149 S CA 0.259 58.518 58.200 0.098 0.000 0.855 149 S CB 1.254 64.455 63.200 0.001 0.000 1.136 149 S HN 2.477 nan 8.310 nan 0.000 0.484 150 G N -0.081 108.735 108.800 0.027 0.000 2.159 150 G HA2 -0.104 3.856 3.960 0.001 0.000 0.227 150 G HA3 -0.104 3.856 3.960 0.001 0.000 0.227 150 G C -0.255 174.747 174.900 0.170 0.000 0.986 150 G CA 0.203 45.360 45.100 0.095 0.000 0.651 150 G HN 1.519 nan 8.290 nan 0.000 0.523 151 F N -0.022 119.971 119.950 0.072 0.000 2.746 151 F HA 0.953 5.481 4.527 0.001 0.000 0.378 151 F C 0.319 176.167 175.800 0.079 0.000 1.165 151 F CA -0.406 57.629 58.000 0.057 0.000 1.089 151 F CB 1.196 40.215 39.000 0.031 0.000 1.439 151 F HN 0.553 nan 8.300 nan 0.000 0.516 152 T N -4.093 110.586 114.554 0.208 0.000 2.754 152 T HA 0.278 4.629 4.350 0.001 0.000 0.296 152 T C 0.700 175.436 174.700 0.060 0.000 1.205 152 T CA -0.020 62.116 62.100 0.060 0.000 1.009 152 T CB 0.758 69.663 68.868 0.060 0.000 1.368 152 T HN 1.079 nan 8.240 nan 0.000 0.509 153 T N -1.117 113.428 114.554 -0.015 0.000 2.822 153 T HA -0.138 4.213 4.350 0.001 0.000 0.270 153 T C 1.163 175.888 174.700 0.041 0.000 1.064 153 T CA 1.983 64.061 62.100 -0.036 0.000 1.131 153 T CB -0.950 67.991 68.868 0.122 0.000 0.858 153 T HN 0.620 nan 8.240 nan 0.000 0.483 154 D N 1.823 122.266 120.400 0.073 0.000 2.104 154 D HA 0.013 4.653 4.640 0.001 0.000 0.194 154 D C 2.454 178.798 176.300 0.074 0.000 0.994 154 D CA 1.468 55.517 54.000 0.080 0.000 0.830 154 D CB -1.147 39.698 40.800 0.076 0.000 0.959 154 D HN 0.559 nan 8.370 nan 0.000 0.452 155 G N 1.341 110.188 108.800 0.077 0.000 2.586 155 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 155 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 155 G C 1.745 176.640 174.900 -0.008 0.000 1.216 155 G CA 0.883 46.012 45.100 0.047 0.000 0.786 155 G HN 0.259 nan 8.290 nan 0.000 0.583 156 L N -0.344 120.834 121.223 -0.076 0.000 1.991 156 L HA -0.182 4.159 4.340 0.001 0.000 0.221 156 L C 2.812 179.695 176.870 0.023 0.000 1.079 156 L CA 1.324 56.062 54.840 -0.169 0.000 0.778 156 L CB -0.735 41.001 42.059 -0.539 0.000 0.893 156 L HN 0.251 nan 8.230 nan 0.000 0.437 157 L N -0.354 120.934 121.223 0.108 0.000 2.043 157 L HA -0.246 4.094 4.340 0.001 0.000 0.212 157 L C 2.787 179.725 176.870 0.114 0.000 1.075 157 L CA 2.105 57.042 54.840 0.162 0.000 0.752 157 L CB -0.765 41.383 42.059 0.148 0.000 0.891 157 L HN 0.201 nan 8.230 nan 0.000 0.432 158 S N -0.615 115.151 115.700 0.110 0.000 2.370 158 S HA -0.187 4.283 4.470 0.001 0.000 0.226 158 S C 2.055 176.775 174.600 0.200 0.000 1.033 158 S CA 1.612 59.916 58.200 0.174 0.000 1.011 158 S CB -0.541 62.749 63.200 0.150 0.000 0.852 158 S HN 0.608 nan 8.310 nan 0.000 0.457 159 I N 0.565 121.198 120.570 0.104 0.000 2.617 159 I HA 0.044 4.215 4.170 0.001 0.000 0.256 159 I C 1.885 178.054 176.117 0.087 0.000 1.167 159 I CA 1.051 62.402 61.300 0.085 0.000 1.469 159 I CB -0.384 37.625 38.000 0.015 0.000 1.098 159 I HN 0.228 nan 8.210 nan 0.000 0.436 160 V N -0.667 119.304 119.914 0.094 0.000 3.129 160 V HA -0.034 4.087 4.120 0.001 0.000 0.259 160 V C 2.406 178.528 176.094 0.046 0.000 1.116 160 V CA 1.516 63.874 62.300 0.096 0.000 1.127 160 V CB -1.793 30.128 31.823 0.163 0.000 0.742 160 V HN 0.655 nan 8.190 nan 0.000 0.474 161 T N -2.310 112.245 114.554 0.002 0.000 3.009 161 T HA 0.005 4.355 4.350 0.001 0.000 0.258 161 T C 1.708 176.300 174.700 -0.179 0.000 1.063 161 T CA 1.413 63.436 62.100 -0.128 0.000 1.139 161 T CB -0.517 68.216 68.868 -0.226 0.000 0.890 161 T HN 0.578 nan 8.240 nan 0.000 0.471 162 H N -0.272 118.796 119.070 -0.004 0.000 2.520 162 H HA 0.374 4.931 4.556 0.001 0.000 0.279 162 H C 0.424 175.749 175.328 -0.005 0.000 0.990 162 H CA 0.222 56.265 56.048 -0.007 0.000 1.288 162 H CB 0.224 29.985 29.762 -0.001 0.000 1.446 162 H HN 0.341 nan 8.280 nan 0.000 0.538 163 C N 2.349 121.718 119.300 0.114 0.000 2.125 163 C HA 0.258 4.718 4.460 0.001 0.000 0.355 163 C C 1.253 176.268 174.990 0.042 0.000 1.047 163 C CA -0.575 58.482 59.018 0.064 0.000 1.501 163 C CB -0.654 27.116 27.740 0.050 0.000 1.783 163 C HN 0.565 nan 8.230 nan 0.000 0.455 164 R N 0.854 121.372 120.500 0.030 0.000 2.275 164 R HA 0.022 4.363 4.340 0.001 0.000 0.199 164 R C 1.144 177.461 176.300 0.028 0.000 0.989 164 R CA 0.610 56.723 56.100 0.022 0.000 1.016 164 R CB 0.234 30.537 30.300 0.006 0.000 0.918 164 R HN 0.593 nan 8.270 nan 0.000 0.473 165 K N 0.851 121.266 120.400 0.024 0.000 2.414 165 K HA 0.272 4.593 4.320 0.001 0.000 0.204 165 K C -0.002 176.608 176.600 0.017 0.000 1.026 165 K CA -0.209 56.089 56.287 0.019 0.000 1.108 165 K CB 0.611 33.119 32.500 0.014 0.000 0.855 165 K HN 0.036 nan 8.250 nan 0.000 0.517 166 I N 2.174 122.757 120.570 0.022 0.000 2.906 166 I HA -0.199 3.972 4.170 0.001 0.000 0.301 166 I C 1.202 177.329 176.117 0.016 0.000 1.221 166 I CA 0.893 62.203 61.300 0.017 0.000 1.435 166 I CB 0.419 38.435 38.000 0.027 0.000 1.345 166 I HN 0.178 nan 8.210 nan 0.000 0.558 167 K N 2.951 123.354 120.400 0.005 0.000 2.202 167 K HA 0.022 4.342 4.320 0.001 0.000 0.201 167 K C 0.726 177.328 176.600 0.003 0.000 1.051 167 K CA 0.720 57.009 56.287 0.003 0.000 0.977 167 K CB 0.296 32.793 32.500 -0.005 0.000 0.792 167 K HN 0.724 nan 8.250 nan 0.000 0.469 168 T N 0.412 114.961 114.554 -0.007 0.000 2.937 168 T HA 0.481 4.832 4.350 0.001 0.000 0.297 168 T C -1.777 172.911 174.700 -0.019 0.000 0.991 168 T CA -0.844 61.248 62.100 -0.014 0.000 0.990 168 T CB 1.112 69.960 68.868 -0.033 0.000 0.991 168 T HN -0.032 nan 8.240 nan 0.000 0.440 169 L N 5.702 126.928 121.223 0.006 0.000 2.406 169 L HA 0.865 5.206 4.340 0.001 0.000 0.272 169 L C -1.796 175.091 176.870 0.028 0.000 0.980 169 L CA -0.711 54.136 54.840 0.013 0.000 0.831 169 L CB 1.605 43.703 42.059 0.065 0.000 1.253 169 L HN 0.851 nan 8.230 nan 0.000 0.406 170 L N 5.213 126.428 121.223 -0.014 0.000 2.431 170 L HA 0.574 4.914 4.340 0.001 0.000 0.266 170 L C -0.531 176.362 176.870 0.038 0.000 0.978 170 L CA -0.291 54.555 54.840 0.010 0.000 0.822 170 L CB 2.173 44.192 42.059 -0.066 0.000 1.310 170 L HN 0.887 nan 8.230 nan 0.000 0.409 171 M N 2.243 121.931 119.600 0.146 0.000 2.289 171 M HA 0.222 4.703 4.480 0.001 0.000 0.335 171 M C 0.100 176.554 176.300 0.258 0.000 0.961 171 M CA -0.155 55.280 55.300 0.226 0.000 1.018 171 M CB 0.742 33.543 32.600 0.336 0.000 1.678 171 M HN 0.590 nan 8.290 nan 0.000 0.589 172 E N 2.865 123.182 120.200 0.195 0.000 2.966 172 E HA -0.237 4.114 4.350 0.001 0.000 0.254 172 E C 0.238 176.914 176.600 0.127 0.000 0.923 172 E CA 0.950 57.455 56.400 0.175 0.000 0.960 172 E CB 0.155 29.939 29.700 0.140 0.000 0.901 172 E HN 0.392 nan 8.360 nan 0.000 0.525 173 E N 1.646 121.896 120.200 0.084 0.000 3.496 173 E HA -0.227 4.124 4.350 0.001 0.000 0.300 173 E C -0.888 175.716 176.600 0.007 0.000 0.877 173 E CA 0.679 57.077 56.400 -0.004 0.000 1.050 173 E CB -0.870 28.817 29.700 -0.021 0.000 1.532 173 E HN 0.426 nan 8.360 nan 0.000 0.447 174 S N -0.043 115.722 115.700 0.107 0.000 2.592 174 S HA 0.388 4.859 4.470 0.001 0.000 0.271 174 S C -0.247 174.301 174.600 -0.086 0.000 1.326 174 S CA 0.019 58.309 58.200 0.151 0.000 1.024 174 S CB 1.468 64.938 63.200 0.450 0.000 0.921 174 S HN 0.391 nan 8.310 nan 0.000 0.527 175 S N 2.590 118.158 115.700 -0.219 0.000 2.519 175 S HA 0.827 5.298 4.470 0.001 0.000 0.309 175 S C -0.668 173.518 174.600 -0.689 0.000 1.100 175 S CA -0.814 57.033 58.200 -0.589 0.000 1.059 175 S CB 0.321 63.285 63.200 -0.393 0.000 1.008 175 S HN 0.605 nan 8.310 nan 0.000 0.478 176 F N -0.651 118.934 119.950 -0.608 0.000 2.754 176 F HA 0.809 5.337 4.527 0.001 0.000 0.320 176 F C -0.418 175.110 175.800 -0.453 0.000 1.156 176 F CA -1.303 56.233 58.000 -0.773 0.000 0.950 176 F CB 0.951 39.224 39.000 -1.211 0.000 1.388 176 F HN 0.401 nan 8.300 nan 0.000 0.485 177 S N 0.368 116.055 115.700 -0.022 0.000 2.438 177 S HA 0.220 4.691 4.470 0.001 0.000 0.293 177 S C -0.720 173.952 174.600 0.120 0.000 1.141 177 S CA -0.576 57.623 58.200 -0.003 0.000 1.080 177 S CB 0.661 63.849 63.200 -0.020 0.000 0.978 177 S HN 0.600 nan 8.310 nan 0.000 0.479 178 E N 3.036 123.300 120.200 0.107 0.000 2.081 178 E HA 0.202 4.553 4.350 0.001 0.000 0.281 178 E C 0.176 176.842 176.600 0.109 0.000 0.986 178 E CA -0.218 56.275 56.400 0.154 0.000 0.796 178 E CB 0.390 30.195 29.700 0.176 0.000 1.085 178 E HN 0.511 nan 8.360 nan 0.000 0.398 179 K N 2.882 123.352 120.400 0.115 0.000 2.348 179 K HA 0.078 4.399 4.320 0.001 0.000 0.194 179 K C -0.327 176.334 176.600 0.102 0.000 1.052 179 K CA 0.609 56.949 56.287 0.089 0.000 1.004 179 K CB 0.367 32.911 32.500 0.074 0.000 0.873 179 K HN 0.574 nan 8.250 nan 0.000 0.523 180 D N -2.954 117.536 120.400 0.151 0.000 3.182 180 D HA 0.103 4.743 4.640 0.001 0.000 0.352 180 D C 0.211 176.629 176.300 0.198 0.000 1.421 180 D CA -0.639 53.444 54.000 0.139 0.000 0.912 180 D CB 0.081 40.937 40.800 0.095 0.000 1.461 180 D HN -0.137 nan 8.370 nan 0.000 0.548 181 G N -1.430 107.427 108.800 0.095 0.000 3.228 181 G HA2 0.062 4.022 3.960 0.001 0.000 0.245 181 G HA3 0.062 4.022 3.960 0.001 0.000 0.245 181 G C 0.707 175.522 174.900 -0.142 0.000 1.051 181 G CA -0.066 45.016 45.100 -0.030 0.000 0.809 181 G HN 0.424 nan 8.290 nan 0.000 0.531 182 K N 0.836 121.238 120.400 0.003 0.000 2.160 182 K HA -0.168 4.153 4.320 0.001 0.000 0.206 182 K C 2.236 178.851 176.600 0.026 0.000 1.047 182 K CA 1.396 57.686 56.287 0.005 0.000 0.930 182 K CB -0.487 32.031 32.500 0.030 0.000 0.720 182 K HN 0.583 nan 8.250 nan 0.000 0.450 183 W N 2.211 123.512 121.300 0.002 0.000 2.317 183 W HA -0.220 4.440 4.660 0.001 0.000 0.318 183 W C 1.539 178.043 176.519 -0.026 0.000 1.227 183 W CA 0.741 58.075 57.345 -0.019 0.000 1.269 183 W CB -1.161 28.267 29.460 -0.053 0.000 1.155 183 W HN 0.028 nan 8.180 nan 0.000 0.484 184 L N 0.473 120.924 121.223 -1.287 0.000 2.046 184 L HA -0.262 4.079 4.340 0.001 0.000 0.208 184 L C 2.999 179.626 176.870 -0.406 0.000 1.077 184 L CA 2.492 56.675 54.840 -1.095 0.000 0.747 184 L CB -0.839 40.460 42.059 -1.267 0.000 0.896 184 L HN 0.113 nan 8.230 nan 0.000 0.432 185 H N -0.546 118.315 119.070 -0.349 0.000 2.357 185 H HA -0.238 4.318 4.556 0.001 0.000 0.301 185 H C 2.123 177.401 175.328 -0.083 0.000 1.082 185 H CA 1.831 57.773 56.048 -0.177 0.000 1.342 185 H CB 0.289 29.971 29.762 -0.133 0.000 1.389 185 H HN 0.270 nan 8.280 nan 0.000 0.511 186 E N 0.274 120.536 120.200 0.103 0.000 2.204 186 E HA -0.123 4.228 4.350 0.001 0.000 0.195 186 E C 2.082 178.733 176.600 0.085 0.000 0.990 186 E CA 0.939 57.419 56.400 0.133 0.000 0.821 186 E CB -0.309 29.465 29.700 0.125 0.000 0.750 186 E HN 0.579 nan 8.360 nan 0.000 0.477 187 L N -0.235 120.997 121.223 0.015 0.000 1.988 187 L HA -0.129 4.212 4.340 0.001 0.000 0.207 187 L C 2.501 179.350 176.870 -0.036 0.000 1.071 187 L CA 1.123 55.971 54.840 0.015 0.000 0.744 187 L CB -0.702 41.362 42.059 0.008 0.000 0.893 187 L HN 0.289 nan 8.230 nan 0.000 0.433 188 A N -0.609 122.136 122.820 -0.125 0.000 1.903 188 A HA -0.335 3.985 4.320 0.001 0.000 0.219 188 A C 2.141 179.605 177.584 -0.199 0.000 1.191 188 A CA 2.156 54.084 52.037 -0.181 0.000 0.638 188 A CB -0.677 18.145 19.000 -0.297 0.000 0.823 188 A HN 0.539 nan 8.150 nan 0.000 0.451 189 Q N -2.539 117.122 119.800 -0.231 0.000 2.297 189 Q HA -0.081 4.259 4.340 0.001 0.000 0.204 189 Q C 1.092 176.821 176.000 -0.451 0.000 0.962 189 Q CA 1.159 56.770 55.803 -0.321 0.000 0.879 189 Q CB 0.064 28.639 28.738 -0.272 0.000 0.947 189 Q HN 0.881 nan 8.270 nan 0.000 0.462 190 H N -2.593 116.444 119.070 -0.055 0.000 3.771 190 H HA 0.156 4.713 4.556 0.001 0.000 0.260 190 H C -0.272 175.043 175.328 -0.022 0.000 1.158 190 H CA -0.177 55.852 56.048 -0.031 0.000 1.170 190 H CB 0.625 30.375 29.762 -0.020 0.000 1.539 190 H HN 0.087 nan 8.280 nan 0.000 0.634 191 N N 0.454 119.200 118.700 0.076 0.000 2.498 191 N HA 0.105 4.846 4.740 0.001 0.000 0.287 191 N C 0.527 176.049 175.510 0.021 0.000 1.097 191 N CA 0.286 53.366 53.050 0.050 0.000 0.973 191 N CB 1.710 40.227 38.487 0.051 0.000 1.153 191 N HN -0.114 nan 8.380 nan 0.000 0.472 192 T N -0.464 114.102 114.554 0.021 0.000 3.010 192 T HA 0.023 4.374 4.350 0.001 0.000 0.252 192 T C 1.361 176.067 174.700 0.010 0.000 0.963 192 T CA 0.235 62.340 62.100 0.008 0.000 0.952 192 T CB -0.041 68.831 68.868 0.007 0.000 1.182 192 T HN 0.622 nan 8.240 nan 0.000 0.495 193 S N 1.337 117.047 115.700 0.015 0.000 2.496 193 S HA 0.191 4.661 4.470 0.001 0.000 0.224 193 S C 0.725 175.334 174.600 0.015 0.000 0.996 193 S CA -0.223 57.984 58.200 0.012 0.000 0.927 193 S CB -0.440 62.768 63.200 0.013 0.000 0.774 193 S HN 0.216 nan 8.310 nan 0.000 0.524 194 L N 2.780 124.017 121.223 0.023 0.000 2.706 194 L HA 0.004 4.345 4.340 0.001 0.000 0.282 194 L C 1.106 177.990 176.870 0.024 0.000 1.219 194 L CA 0.878 55.736 54.840 0.031 0.000 0.935 194 L CB -0.143 41.944 42.059 0.046 0.000 1.204 194 L HN 0.260 nan 8.230 nan 0.000 0.491 195 E N 2.371 122.581 120.200 0.018 0.000 2.332 195 E HA 0.165 4.516 4.350 0.001 0.000 0.202 195 E C -0.621 175.987 176.600 0.013 0.000 0.877 195 E CA 0.194 56.600 56.400 0.011 0.000 0.979 195 E CB 1.028 30.728 29.700 -0.000 0.000 0.969 195 E HN 0.401 nan 8.360 nan 0.000 0.495 196 V N 1.545 121.465 119.914 0.010 0.000 2.623 196 V HA 0.500 4.621 4.120 0.001 0.000 0.304 196 V C -1.987 174.115 176.094 0.013 0.000 1.054 196 V CA -0.897 61.405 62.300 0.003 0.000 0.882 196 V CB 1.736 33.547 31.823 -0.021 0.000 1.002 196 V HN 0.025 nan 8.190 nan 0.000 0.424 197 L N 5.873 127.105 121.223 0.015 0.000 2.362 197 L HA 0.788 5.129 4.340 0.001 0.000 0.275 197 L C -0.910 175.931 176.870 -0.048 0.000 0.998 197 L CA -0.012 54.853 54.840 0.042 0.000 0.820 197 L CB 1.839 43.951 42.059 0.088 0.000 1.270 197 L HN 0.887 nan 8.230 nan 0.000 0.415 198 N N 4.433 123.135 118.700 0.003 0.000 2.594 198 N HA 0.333 5.074 4.740 0.001 0.000 0.280 198 N C -1.690 173.882 175.510 0.105 0.000 1.156 198 N CA -0.462 52.544 53.050 -0.073 0.000 0.831 198 N CB 0.529 38.988 38.487 -0.047 0.000 1.379 198 N HN 0.412 nan 8.380 nan 0.000 0.536 199 F N 2.667 122.699 119.950 0.137 0.000 2.530 199 F HA 0.404 4.932 4.527 0.001 0.000 0.318 199 F C 0.423 176.367 175.800 0.240 0.000 1.356 199 F CA -0.986 57.156 58.000 0.237 0.000 1.135 199 F CB -0.086 39.131 39.000 0.362 0.000 1.315 199 F HN 0.245 nan 8.300 nan 0.000 0.549 200 Y N 1.766 122.088 120.300 0.037 0.000 2.220 200 Y HA 0.196 4.746 4.550 0.001 0.000 0.291 200 Y C 0.928 176.806 175.900 -0.037 0.000 1.129 200 Y CA 1.163 59.223 58.100 -0.067 0.000 1.161 200 Y CB 0.221 38.624 38.460 -0.094 0.000 0.997 200 Y HN 0.443 nan 8.280 nan 0.000 0.522 201 M N 1.594 121.142 119.600 -0.086 0.000 3.157 201 M HA 0.228 4.709 4.480 0.001 0.000 0.213 201 M C -0.873 175.357 176.300 -0.117 0.000 1.177 201 M CA -0.033 55.105 55.300 -0.270 0.000 1.109 201 M CB 0.253 32.680 32.600 -0.287 0.000 1.262 201 M HN 0.170 nan 8.290 nan 0.000 0.570 202 T N -2.223 112.324 114.554 -0.012 0.000 2.952 202 T HA 0.505 4.856 4.350 0.001 0.000 0.305 202 T C -0.671 174.007 174.700 -0.037 0.000 1.064 202 T CA -1.039 61.062 62.100 0.002 0.000 1.008 202 T CB 1.532 70.595 68.868 0.325 0.000 1.078 202 T HN 0.282 nan 8.240 nan 0.000 0.459 203 E N 2.966 123.012 120.200 -0.258 0.000 1.893 203 E HA 0.264 4.615 4.350 0.001 0.000 0.269 203 E C -1.188 175.268 176.600 -0.240 0.000 1.129 203 E CA -0.201 56.074 56.400 -0.209 0.000 0.904 203 E CB -0.123 29.421 29.700 -0.261 0.000 1.077 203 E HN 0.561 nan 8.360 nan 0.000 0.407 204 F N 0.746 120.711 119.950 0.025 0.000 2.444 204 F HA 0.402 4.930 4.527 0.001 0.000 0.342 204 F C 0.897 176.672 175.800 -0.043 0.000 1.121 204 F CA -0.667 57.352 58.000 0.033 0.000 0.997 204 F CB 1.915 40.896 39.000 -0.033 0.000 1.130 204 F HN 0.451 nan 8.300 nan 0.000 0.454 205 A N 2.853 125.775 122.820 0.170 0.000 2.469 205 A HA 0.259 4.579 4.320 0.001 0.000 0.245 205 A C 0.991 178.638 177.584 0.105 0.000 1.221 205 A CA -0.120 51.973 52.037 0.093 0.000 0.946 205 A CB 0.033 19.064 19.000 0.052 0.000 1.049 205 A HN 0.713 nan 8.150 nan 0.000 0.529 206 K N 0.635 121.124 120.400 0.148 0.000 2.469 206 K HA 0.316 4.637 4.320 0.001 0.000 0.204 206 K C -0.129 176.517 176.600 0.077 0.000 1.047 206 K CA -0.038 56.317 56.287 0.114 0.000 1.072 206 K CB 0.436 33.013 32.500 0.128 0.000 0.863 206 K HN 0.688 nan 8.250 nan 0.000 0.530 207 I N -2.048 118.554 120.570 0.054 0.000 2.498 207 I HA 0.373 4.544 4.170 0.001 0.000 0.301 207 I C -0.146 176.054 176.117 0.139 0.000 0.984 207 I CA -0.775 60.504 61.300 -0.035 0.000 1.204 207 I CB 1.907 39.748 38.000 -0.264 0.000 1.362 207 I HN -0.225 nan 8.210 nan 0.000 0.471 208 S N 6.153 121.901 115.700 0.080 0.000 2.452 208 S HA 0.406 4.877 4.470 0.001 0.000 0.284 208 S C -1.136 173.482 174.600 0.029 0.000 1.171 208 S CA -1.620 56.635 58.200 0.092 0.000 1.064 208 S CB 0.840 64.059 63.200 0.033 0.000 0.967 208 S HN 0.645 nan 8.310 nan 0.000 0.484 209 P HA -0.182 nan 4.420 nan 0.000 0.217 209 P C 1.000 178.136 177.300 -0.273 0.000 1.148 209 P CA 1.123 63.876 63.100 -0.579 0.000 0.828 209 P CB 0.124 31.393 31.700 -0.719 0.000 0.783 210 K N 0.236 120.550 120.400 -0.143 0.000 2.044 210 K HA -0.171 4.149 4.320 0.001 0.000 0.210 210 K C 1.766 178.311 176.600 -0.091 0.000 1.049 210 K CA 1.413 57.646 56.287 -0.091 0.000 0.927 210 K CB -1.095 31.376 32.500 -0.049 0.000 0.713 210 K HN 0.217 nan 8.250 nan 0.000 0.443 211 D N 1.104 121.448 120.400 -0.094 0.000 2.123 211 D HA -0.159 4.482 4.640 0.001 0.000 0.196 211 D C 1.985 178.222 176.300 -0.105 0.000 0.992 211 D CA 0.716 54.638 54.000 -0.131 0.000 0.833 211 D CB -0.241 40.468 40.800 -0.152 0.000 0.954 211 D HN 0.006 nan 8.370 nan 0.000 0.455 212 L N 1.485 122.650 121.223 -0.097 0.000 2.042 212 L HA -0.170 4.170 4.340 0.001 0.000 0.210 212 L C 2.168 179.082 176.870 0.072 0.000 1.076 212 L CA 1.825 56.629 54.840 -0.060 0.000 0.749 212 L CB -0.682 41.257 42.059 -0.199 0.000 0.893 212 L HN 0.033 nan 8.230 nan 0.000 0.432 213 E N -1.477 118.746 120.200 0.038 0.000 2.077 213 E HA -0.268 4.083 4.350 0.001 0.000 0.193 213 E C 2.033 178.650 176.600 0.028 0.000 0.989 213 E CA 1.634 58.096 56.400 0.104 0.000 0.800 213 E CB -0.226 29.482 29.700 0.014 0.000 0.746 213 E HN 0.573 nan 8.360 nan 0.000 0.452 214 T N -0.438 114.099 114.554 -0.030 0.000 3.007 214 T HA -0.054 4.296 4.350 0.001 0.000 0.270 214 T C 1.837 176.509 174.700 -0.048 0.000 1.107 214 T CA 0.843 62.907 62.100 -0.059 0.000 1.118 214 T CB -0.237 68.568 68.868 -0.105 0.000 0.889 214 T HN 0.213 nan 8.240 nan 0.000 0.506 215 I N 0.966 121.528 120.570 -0.014 0.000 2.277 215 I HA 0.039 4.209 4.170 0.001 0.000 0.243 215 I C 3.095 179.230 176.117 0.030 0.000 1.094 215 I CA 0.963 62.266 61.300 0.006 0.000 1.393 215 I CB -0.626 37.397 38.000 0.037 0.000 1.078 215 I HN 0.333 nan 8.210 nan 0.000 0.417 216 A N 0.777 123.641 122.820 0.073 0.000 1.940 216 A HA -0.264 4.057 4.320 0.001 0.000 0.219 216 A C 2.353 179.903 177.584 -0.057 0.000 1.176 216 A CA 1.833 53.871 52.037 0.001 0.000 0.631 216 A CB -0.608 18.319 19.000 -0.121 0.000 0.814 216 A HN 0.303 nan 8.150 nan 0.000 0.446 217 R N -0.450 120.022 120.500 -0.047 0.000 2.075 217 R HA -0.077 4.263 4.340 0.001 0.000 0.232 217 R C 1.450 177.722 176.300 -0.047 0.000 1.126 217 R CA 1.722 57.788 56.100 -0.057 0.000 0.963 217 R CB -0.155 30.113 30.300 -0.055 0.000 0.858 217 R HN 0.517 nan 8.270 nan 0.000 0.435 218 N N -1.207 117.469 118.700 -0.039 0.000 2.424 218 N HA 0.019 4.760 4.740 0.001 0.000 0.178 218 N C -0.589 174.908 175.510 -0.023 0.000 1.060 218 N CA 0.467 53.496 53.050 -0.035 0.000 0.901 218 N CB 0.403 38.865 38.487 -0.042 0.000 0.979 218 N HN 0.110 nan 8.380 nan 0.000 0.451 219 C N 1.514 120.805 119.300 -0.015 0.000 2.206 219 C HA 0.383 4.844 4.460 0.001 0.000 0.324 219 C C 1.562 176.544 174.990 -0.012 0.000 1.120 219 C CA -0.871 58.144 59.018 -0.005 0.000 1.546 219 C CB 0.166 27.914 27.740 0.013 0.000 2.023 219 C HN 0.198 nan 8.230 nan 0.000 0.448 220 R N 1.139 121.629 120.500 -0.016 0.000 2.148 220 R HA -0.030 4.311 4.340 0.001 0.000 0.227 220 R C 1.764 178.054 176.300 -0.017 0.000 1.103 220 R CA 1.002 57.090 56.100 -0.021 0.000 0.983 220 R CB -0.175 30.113 30.300 -0.020 0.000 0.874 220 R HN 0.596 nan 8.270 nan 0.000 0.451 221 S N 0.172 115.867 115.700 -0.009 0.000 2.614 221 S HA 0.166 4.636 4.470 0.001 0.000 0.230 221 S C -0.190 174.410 174.600 0.000 0.000 0.952 221 S CA -0.497 57.699 58.200 -0.006 0.000 0.949 221 S CB -0.003 63.194 63.200 -0.005 0.000 0.786 221 S HN 0.044 nan 8.310 nan 0.000 0.478 222 L N 2.453 123.678 121.223 0.003 0.000 2.456 222 L HA 0.189 4.530 4.340 0.001 0.000 0.277 222 L C 0.722 177.605 176.870 0.022 0.000 1.124 222 L CA 0.618 55.470 54.840 0.020 0.000 0.880 222 L CB 0.401 42.480 42.059 0.033 0.000 1.192 222 L HN 0.026 nan 8.230 nan 0.000 0.463 223 V N 2.452 122.381 119.914 0.026 0.000 3.013 223 V HA 0.252 4.373 4.120 0.001 0.000 0.238 223 V C 0.690 176.808 176.094 0.040 0.000 1.161 223 V CA 0.702 63.016 62.300 0.023 0.000 1.170 223 V CB 0.634 32.462 31.823 0.007 0.000 0.917 223 V HN 0.757 nan 8.190 nan 0.000 0.478 224 S N 0.280 115.999 115.700 0.032 0.000 2.532 224 S HA 0.690 5.160 4.470 0.001 0.000 0.299 224 S C -1.280 173.331 174.600 0.018 0.000 1.105 224 S CA -0.366 57.847 58.200 0.021 0.000 1.018 224 S CB 1.722 64.905 63.200 -0.028 0.000 1.021 224 S HN 0.426 nan 8.310 nan 0.000 0.483 225 V N 4.983 124.907 119.914 0.017 0.000 2.668 225 V HA 0.717 4.838 4.120 0.001 0.000 0.304 225 V C -1.581 174.296 176.094 -0.362 0.000 1.071 225 V CA -0.594 61.648 62.300 -0.097 0.000 0.894 225 V CB 1.607 33.453 31.823 0.037 0.000 1.008 225 V HN 0.947 nan 8.190 nan 0.000 0.425 226 K N 4.487 124.602 120.400 -0.475 0.000 2.267 226 K HA 0.924 5.245 4.320 0.001 0.000 0.246 226 K C -1.387 174.821 176.600 -0.653 0.000 0.954 226 K CA -0.838 55.076 56.287 -0.621 0.000 0.824 226 K CB 2.702 34.879 32.500 -0.538 0.000 1.167 226 K HN 0.579 nan 8.250 nan 0.000 0.431 227 V N 0.108 119.737 119.914 -0.475 0.000 3.226 227 V HA 0.440 4.561 4.120 0.001 0.000 0.304 227 V C 0.147 176.240 176.094 -0.001 0.000 1.336 227 V CA -0.621 61.385 62.300 -0.489 0.000 1.066 227 V CB 2.316 33.924 31.823 -0.358 0.000 1.087 227 V HN 0.997 nan 8.190 nan 0.000 0.451 228 G N -0.447 108.471 108.800 0.197 0.000 2.546 228 G HA2 0.206 4.167 3.960 0.001 0.000 0.239 228 G HA3 0.206 4.167 3.960 0.001 0.000 0.239 228 G C -0.229 174.733 174.900 0.104 0.000 1.476 228 G CA -0.045 45.156 45.100 0.169 0.000 1.064 228 G HN 0.661 nan 8.290 nan 0.000 0.561 229 D N 0.359 120.804 120.400 0.076 0.000 2.856 229 D HA 0.179 4.820 4.640 0.001 0.000 0.242 229 D C 0.023 176.426 176.300 0.171 0.000 1.226 229 D CA -0.035 54.056 54.000 0.151 0.000 0.855 229 D CB -0.523 40.361 40.800 0.140 0.000 1.065 229 D HN 0.118 nan 8.370 nan 0.000 0.462 230 F N 1.105 121.174 119.950 0.198 0.000 2.553 230 F HA -0.054 4.474 4.527 0.001 0.000 0.356 230 F C 1.614 177.519 175.800 0.175 0.000 1.142 230 F CA -0.118 57.980 58.000 0.164 0.000 1.322 230 F CB 0.756 39.839 39.000 0.139 0.000 1.126 230 F HN -0.167 nan 8.300 nan 0.000 0.599 231 E N 3.564 124.003 120.200 0.397 0.000 2.265 231 E HA 0.020 4.371 4.350 0.001 0.000 0.272 231 E C 0.960 177.724 176.600 0.272 0.000 1.067 231 E CA -0.025 56.551 56.400 0.292 0.000 0.900 231 E CB 0.709 30.542 29.700 0.222 0.000 1.017 231 E HN 0.518 nan 8.360 nan 0.000 0.431 232 I N 4.843 125.595 120.570 0.305 0.000 2.143 232 I HA -0.382 3.789 4.170 0.001 0.000 0.245 232 I C 2.216 178.491 176.117 0.263 0.000 1.068 232 I CA 1.312 62.788 61.300 0.293 0.000 1.326 232 I CB -0.304 37.837 38.000 0.236 0.000 1.028 232 I HN 0.639 nan 8.210 nan 0.000 0.412 233 L N -0.264 121.144 121.223 0.308 0.000 2.081 233 L HA -0.282 4.059 4.340 0.001 0.000 0.212 233 L C 2.259 179.182 176.870 0.088 0.000 1.080 233 L CA 1.501 56.452 54.840 0.186 0.000 0.754 233 L CB -0.601 41.524 42.059 0.110 0.000 0.893 233 L HN 0.368 nan 8.230 nan 0.000 0.433 234 E N -0.375 119.861 120.200 0.060 0.000 2.472 234 E HA -0.133 4.218 4.350 0.001 0.000 0.200 234 E C 1.669 178.202 176.600 -0.111 0.000 1.046 234 E CA 0.482 56.863 56.400 -0.032 0.000 0.871 234 E CB 0.112 29.780 29.700 -0.054 0.000 0.806 234 E HN 0.539 nan 8.360 nan 0.000 0.533 235 L N 0.082 121.264 121.223 -0.069 0.000 2.728 235 L HA 0.047 4.387 4.340 0.001 0.000 0.238 235 L C 1.656 178.514 176.870 -0.019 0.000 1.143 235 L CA -0.201 54.544 54.840 -0.159 0.000 0.937 235 L CB 0.592 42.459 42.059 -0.319 0.000 1.225 235 L HN 0.002 nan 8.230 nan 0.000 0.507 236 V N 0.079 120.041 119.914 0.081 0.000 2.407 236 V HA -0.184 3.937 4.120 0.001 0.000 0.248 236 V C 2.619 178.749 176.094 0.060 0.000 1.055 236 V CA 2.033 64.411 62.300 0.131 0.000 1.049 236 V CB -1.187 30.670 31.823 0.058 0.000 0.662 236 V HN 0.582 nan 8.190 nan 0.000 0.455 237 G N -0.127 108.680 108.800 0.011 0.000 2.514 237 G HA2 -0.362 3.598 3.960 0.001 0.000 0.217 237 G HA3 -0.362 3.598 3.960 0.001 0.000 0.217 237 G C 1.487 176.376 174.900 -0.018 0.000 1.198 237 G CA 1.283 46.376 45.100 -0.012 0.000 0.780 237 G HN 0.461 nan 8.290 nan 0.000 0.565 238 F N 1.139 120.979 119.950 -0.182 0.000 2.032 238 F HA -0.191 4.337 4.527 0.001 0.000 0.297 238 F C 2.477 178.170 175.800 -0.179 0.000 1.125 238 F CA 2.108 59.962 58.000 -0.244 0.000 1.202 238 F CB -0.731 38.013 39.000 -0.425 0.000 0.958 238 F HN 0.150 nan 8.300 nan 0.000 0.491 239 F N 0.493 120.323 119.950 -0.199 0.000 2.126 239 F HA -0.228 4.299 4.527 0.001 0.000 0.299 239 F C 2.468 178.087 175.800 -0.303 0.000 1.096 239 F CA 1.740 59.545 58.000 -0.325 0.000 1.255 239 F CB -0.555 38.335 39.000 -0.183 0.000 0.997 239 F HN -0.057 nan 8.300 nan 0.000 0.479 240 K N 0.014 120.397 120.400 -0.029 0.000 2.097 240 K HA -0.154 4.167 4.320 0.001 0.000 0.206 240 K C 2.233 178.763 176.600 -0.118 0.000 1.049 240 K CA 1.214 57.459 56.287 -0.069 0.000 0.933 240 K CB -0.381 32.087 32.500 -0.053 0.000 0.717 240 K HN 0.246 nan 8.250 nan 0.000 0.442 241 A N 1.124 123.842 122.820 -0.169 0.000 2.016 241 A HA 0.088 4.408 4.320 0.001 0.000 0.217 241 A C 1.572 179.024 177.584 -0.219 0.000 1.162 241 A CA 0.966 52.901 52.037 -0.170 0.000 0.662 241 A CB -0.110 18.802 19.000 -0.148 0.000 0.812 241 A HN 0.251 nan 8.150 nan 0.000 0.450 242 A N 0.188 122.786 122.820 -0.369 0.000 3.063 242 A HA 0.563 4.884 4.320 0.001 0.000 0.263 242 A C 1.559 179.035 177.584 -0.180 0.000 1.736 242 A CA 0.599 52.423 52.037 -0.354 0.000 1.408 242 A CB -1.007 17.576 19.000 -0.695 0.000 1.108 242 A HN 0.839 nan 8.150 nan 0.000 0.621 243 A N 1.498 124.244 122.820 -0.123 0.000 1.873 243 A HA -0.190 4.130 4.320 0.001 0.000 0.218 243 A C 1.628 179.175 177.584 -0.061 0.000 1.193 243 A CA 1.820 53.807 52.037 -0.082 0.000 0.629 243 A CB -0.358 18.602 19.000 -0.067 0.000 0.826 243 A HN 0.604 nan 8.150 nan 0.000 0.447 244 N N -0.428 118.242 118.700 -0.050 0.000 2.370 244 N HA 0.140 4.881 4.740 0.001 0.000 0.198 244 N C -0.235 175.267 175.510 -0.014 0.000 1.156 244 N CA -0.138 52.894 53.050 -0.030 0.000 0.839 244 N CB -0.252 38.221 38.487 -0.024 0.000 0.989 244 N HN 0.371 nan 8.380 nan 0.000 0.468 245 L N 1.270 122.486 121.223 -0.010 0.000 2.499 245 L HA -0.008 4.333 4.340 0.001 0.000 0.273 245 L C 1.159 178.055 176.870 0.042 0.000 1.195 245 L CA 0.857 55.721 54.840 0.039 0.000 0.882 245 L CB 0.523 42.631 42.059 0.081 0.000 1.133 245 L HN 0.140 nan 8.230 nan 0.000 0.483 246 E N 2.234 122.465 120.200 0.051 0.000 2.399 246 E HA 0.122 4.473 4.350 0.001 0.000 0.205 246 E C -0.241 176.393 176.600 0.057 0.000 0.906 246 E CA 0.054 56.476 56.400 0.037 0.000 0.998 246 E CB 0.754 30.464 29.700 0.017 0.000 1.002 246 E HN 0.644 nan 8.360 nan 0.000 0.501 247 E N 0.429 120.678 120.200 0.082 0.000 2.256 247 E HA 0.418 4.769 4.350 0.001 0.000 0.268 247 E C -1.841 174.866 176.600 0.178 0.000 0.877 247 E CA -0.598 55.848 56.400 0.077 0.000 0.757 247 E CB 1.528 31.226 29.700 -0.003 0.000 1.183 247 E HN -0.060 nan 8.360 nan 0.000 0.418 248 F N 4.565 124.533 119.950 0.029 0.000 2.588 248 F HA 0.554 5.082 4.527 0.001 0.000 0.318 248 F C -1.686 174.110 175.800 -0.008 0.000 1.155 248 F CA -0.468 57.578 58.000 0.077 0.000 0.967 248 F CB 1.013 40.189 39.000 0.294 0.000 1.236 248 F HN 0.575 nan 8.300 nan 0.000 0.455 249 C N 3.835 122.734 119.300 -0.669 0.000 2.802 249 C HA 1.024 5.485 4.460 0.001 0.000 0.307 249 C C 0.474 175.083 174.990 -0.634 0.000 1.222 249 C CA -0.008 58.717 59.018 -0.488 0.000 1.580 249 C CB 0.837 28.068 27.740 -0.849 0.000 2.119 249 C HN 1.404 nan 8.230 nan 0.000 0.479 250 G N 0.811 109.634 108.800 0.039 0.000 2.384 250 G HA2 0.522 4.482 3.960 0.001 0.000 0.204 250 G HA3 0.522 4.482 3.960 0.001 0.000 0.204 250 G C 0.036 175.141 174.900 0.341 0.000 1.237 250 G CA 0.186 45.404 45.100 0.195 0.000 1.060 250 G HN 2.764 nan 8.290 nan 0.000 0.514 251 G N -1.696 107.308 108.800 0.340 0.000 2.782 251 G HA2 0.413 4.373 3.960 0.001 0.000 0.228 251 G HA3 0.413 4.373 3.960 0.001 0.000 0.228 251 G C 0.124 175.243 174.900 0.365 0.000 1.372 251 G CA 1.056 46.430 45.100 0.457 0.000 0.862 251 G HN 2.387 nan 8.290 nan 0.000 0.547 252 S N -0.838 115.080 115.700 0.363 0.000 2.720 252 S HA 0.593 5.064 4.470 0.001 0.000 0.278 252 S C -0.326 174.433 174.600 0.265 0.000 1.172 252 S CA -0.618 57.806 58.200 0.375 0.000 1.019 252 S CB 0.536 63.932 63.200 0.327 0.000 1.049 252 S HN 0.880 nan 8.310 nan 0.000 0.483 253 L N 5.361 126.705 121.223 0.203 0.000 2.268 253 L HA 0.490 4.830 4.340 0.001 0.000 0.289 253 L C -0.183 176.797 176.870 0.184 0.000 1.064 253 L CA -0.501 54.354 54.840 0.025 0.000 0.824 253 L CB 0.508 42.469 42.059 -0.164 0.000 1.202 253 L HN 0.559 nan 8.230 nan 0.000 0.433 254 N N 3.999 122.887 118.700 0.312 0.000 2.476 254 N HA 0.190 4.930 4.740 0.001 0.000 0.257 254 N C -0.666 175.007 175.510 0.272 0.000 0.970 254 N CA -0.524 52.659 53.050 0.222 0.000 0.938 254 N CB 1.824 40.402 38.487 0.152 0.000 1.144 254 N HN 0.589 nan 8.380 nan 0.000 0.500 255 E N 0.869 121.190 120.200 0.203 0.000 2.197 255 E HA 0.237 4.588 4.350 0.001 0.000 0.281 255 E C -0.821 175.826 176.600 0.079 0.000 0.995 255 E CA -0.831 55.668 56.400 0.166 0.000 0.808 255 E CB 1.101 30.895 29.700 0.157 0.000 1.093 255 E HN 0.416 nan 8.360 nan 0.000 0.394 256 D N 3.814 124.238 120.400 0.040 0.000 2.326 256 D HA 0.113 4.754 4.640 0.001 0.000 0.248 256 D C 0.847 177.155 176.300 0.015 0.000 1.001 256 D CA -0.750 53.262 54.000 0.020 0.000 0.961 256 D CB 1.140 41.942 40.800 0.003 0.000 1.183 256 D HN 0.360 nan 8.370 nan 0.000 0.502 257 I N 0.574 121.151 120.570 0.012 0.000 2.716 257 I HA -0.006 4.165 4.170 0.001 0.000 0.259 257 I C 2.490 178.608 176.117 0.002 0.000 1.172 257 I CA 0.656 61.963 61.300 0.012 0.000 1.478 257 I CB -1.702 36.306 38.000 0.013 0.000 1.104 257 I HN 0.689 nan 8.210 nan 0.000 0.439 258 G N 1.445 110.243 108.800 -0.004 0.000 2.516 258 G HA2 -0.175 3.786 3.960 0.001 0.000 0.221 258 G HA3 -0.175 3.786 3.960 0.001 0.000 0.221 258 G C 0.911 175.799 174.900 -0.020 0.000 1.107 258 G CA 0.413 45.507 45.100 -0.011 0.000 0.747 258 G HN 0.319 nan 8.290 nan 0.000 0.567 259 M N 0.100 119.683 119.600 -0.028 0.000 2.035 259 M HA 0.242 4.723 4.480 0.001 0.000 0.286 259 M C -2.291 173.993 176.300 -0.028 0.000 0.907 259 M CA -1.679 53.595 55.300 -0.043 0.000 0.935 259 M CB 2.850 35.398 32.600 -0.086 0.000 1.557 259 M HN -0.171 nan 8.290 nan 0.000 0.426 260 P HA -0.004 nan 4.420 nan 0.000 0.221 260 P C 0.009 177.318 177.300 0.015 0.000 1.155 260 P CA 0.994 64.100 63.100 0.011 0.000 0.812 260 P CB 0.380 32.087 31.700 0.013 0.000 0.801 261 E N -0.229 119.968 120.200 -0.005 0.000 3.012 261 E HA 0.091 4.441 4.350 0.001 0.000 0.228 261 E C 1.103 177.670 176.600 -0.054 0.000 1.184 261 E CA -0.221 56.178 56.400 -0.002 0.000 1.407 261 E CB 0.055 29.757 29.700 0.003 0.000 1.438 261 E HN 0.121 nan 8.360 nan 0.000 0.435 262 K N 0.222 120.553 120.400 -0.116 0.000 2.057 262 K HA -0.125 4.196 4.320 0.001 0.000 0.207 262 K C -0.006 176.348 176.600 -0.409 0.000 1.049 262 K CA 1.321 57.408 56.287 -0.333 0.000 0.931 262 K CB 0.217 32.392 32.500 -0.541 0.000 0.714 262 K HN 0.239 nan 8.250 nan 0.000 0.440 263 Y N -0.133 120.170 120.300 0.005 0.000 2.638 263 Y HA 0.275 4.825 4.550 0.001 0.000 0.367 263 Y C 0.232 176.123 175.900 -0.015 0.000 1.001 263 Y CA -0.732 57.363 58.100 -0.009 0.000 1.133 263 Y CB 1.144 39.608 38.460 0.006 0.000 1.199 263 Y HN -0.034 nan 8.280 nan 0.000 0.642 264 M N -0.310 119.339 119.600 0.082 0.000 2.300 264 M HA 0.231 4.711 4.480 0.001 0.000 0.313 264 M C -0.159 176.156 176.300 0.025 0.000 0.988 264 M CA 0.325 55.662 55.300 0.061 0.000 1.012 264 M CB 0.199 32.829 32.600 0.050 0.000 1.586 264 M HN 0.305 nan 8.290 nan 0.000 0.562 265 N N 1.167 119.868 118.700 0.002 0.000 2.806 265 N HA 0.271 5.012 4.740 0.001 0.000 0.315 265 N C -1.139 174.324 175.510 -0.078 0.000 1.738 265 N CA -0.034 52.997 53.050 -0.031 0.000 0.993 265 N CB 0.868 39.338 38.487 -0.029 0.000 1.324 265 N HN 0.041 nan 8.380 nan 0.000 0.493 266 L N 1.655 122.798 121.223 -0.134 0.000 2.265 266 L HA 0.379 4.720 4.340 0.001 0.000 0.289 266 L C 0.182 176.809 176.870 -0.406 0.000 1.033 266 L CA -0.896 53.739 54.840 -0.341 0.000 0.814 266 L CB 1.187 42.906 42.059 -0.567 0.000 1.203 266 L HN 0.040 nan 8.230 nan 0.000 0.423 267 V N 1.879 121.574 119.914 -0.365 0.000 2.397 267 V HA 0.296 4.417 4.120 0.001 0.000 0.262 267 V C 0.089 175.863 176.094 -0.533 0.000 1.047 267 V CA -0.430 61.684 62.300 -0.309 0.000 1.003 267 V CB -0.833 30.890 31.823 -0.166 0.000 1.037 267 V HN 0.370 nan 8.190 nan 0.000 0.480 268 F N 5.206 124.920 119.950 -0.393 0.000 2.385 268 F HA 0.553 5.080 4.527 0.001 0.000 0.336 268 F C -1.498 174.053 175.800 -0.414 0.000 1.100 268 F CA -2.320 55.342 58.000 -0.563 0.000 1.116 268 F CB 1.315 39.926 39.000 -0.647 0.000 1.166 268 F HN 0.369 nan 8.300 nan 0.000 0.511 269 P HA 0.029 nan 4.420 nan 0.000 0.266 269 P C 0.349 177.550 177.300 -0.165 0.000 1.193 269 P CA 0.094 63.147 63.100 -0.079 0.000 0.770 269 P CB 0.599 32.296 31.700 -0.005 0.000 0.836 270 R N 2.423 122.840 120.500 -0.139 0.000 2.081 270 R HA -0.139 4.201 4.340 0.001 0.000 0.235 270 R C 1.382 177.598 176.300 -0.140 0.000 1.131 270 R CA 1.484 57.491 56.100 -0.155 0.000 0.960 270 R CB -0.339 29.903 30.300 -0.097 0.000 0.856 270 R HN 0.523 nan 8.270 nan 0.000 0.436 271 K N 0.828 121.175 120.400 -0.088 0.000 2.486 271 K HA 0.118 4.438 4.320 0.001 0.000 0.194 271 K C 0.731 177.307 176.600 -0.040 0.000 1.033 271 K CA -0.102 56.155 56.287 -0.051 0.000 1.004 271 K CB 0.102 32.585 32.500 -0.028 0.000 0.798 271 K HN 0.097 nan 8.250 nan 0.000 0.495 272 L N 1.769 122.945 121.223 -0.079 0.000 2.660 272 L HA -0.128 4.213 4.340 0.001 0.000 0.272 272 L C 0.634 177.529 176.870 0.040 0.000 1.194 272 L CA 0.478 55.295 54.840 -0.037 0.000 0.945 272 L CB 0.187 42.172 42.059 -0.123 0.000 1.212 272 L HN 0.471 nan 8.230 nan 0.000 0.490 273 C N 1.801 121.136 119.300 0.059 0.000 4.015 273 C HA 0.416 4.876 4.460 0.001 0.000 0.323 273 C C 0.571 175.585 174.990 0.039 0.000 1.724 273 C CA -0.817 58.245 59.018 0.072 0.000 1.828 273 C CB -0.168 27.602 27.740 0.050 0.000 3.083 273 C HN 0.810 nan 8.230 nan 0.000 0.640 274 R N 1.798 122.316 120.500 0.029 0.000 2.483 274 R HA 0.841 5.182 4.340 0.001 0.000 0.303 274 R C -0.892 175.415 176.300 0.012 0.000 0.987 274 R CA -0.048 56.055 56.100 0.004 0.000 0.881 274 R CB 1.615 31.908 30.300 -0.011 0.000 1.177 274 R HN 0.696 nan 8.270 nan 0.000 0.451 275 L N -1.190 120.029 121.223 -0.007 0.000 2.892 275 L HA 0.989 5.330 4.340 0.001 0.000 0.269 275 L C -1.343 175.525 176.870 -0.003 0.000 1.058 275 L CA -0.867 53.983 54.840 0.016 0.000 0.923 275 L CB 2.421 44.494 42.059 0.023 0.000 1.518 275 L HN 0.604 nan 8.230 nan 0.000 0.402 276 G N 1.808 110.640 108.800 0.053 0.000 2.334 276 G HA2 0.473 4.434 3.960 0.001 0.000 0.290 276 G HA3 0.473 4.434 3.960 0.001 0.000 0.290 276 G C -1.563 173.437 174.900 0.166 0.000 1.310 276 G CA -0.574 44.565 45.100 0.066 0.000 1.308 276 G HN 0.604 nan 8.290 nan 0.000 0.612 277 L N 1.881 123.184 121.223 0.133 0.000 2.276 277 L HA 0.458 4.799 4.340 0.001 0.000 0.286 277 L C 0.665 177.610 176.870 0.124 0.000 1.061 277 L CA -0.674 54.282 54.840 0.194 0.000 0.807 277 L CB 1.592 43.729 42.059 0.130 0.000 1.177 277 L HN 0.407 nan 8.230 nan 0.000 0.429 278 S N 1.918 117.699 115.700 0.134 0.000 2.565 278 S HA 0.239 4.710 4.470 0.001 0.000 0.276 278 S C -0.052 174.529 174.600 -0.032 0.000 1.326 278 S CA -0.230 57.923 58.200 -0.078 0.000 1.045 278 S CB 0.245 63.309 63.200 -0.227 0.000 0.918 278 S HN 0.636 nan 8.310 nan 0.000 0.505 279 Y N -1.836 118.529 120.300 0.109 0.000 4.881 279 Y HA -0.251 4.300 4.550 0.001 0.000 0.241 279 Y C 0.625 176.549 175.900 0.040 0.000 0.985 279 Y CA 0.446 58.590 58.100 0.073 0.000 1.976 279 Y CB -2.384 36.117 38.460 0.069 0.000 1.528 279 Y HN 0.725 nan 8.280 nan 0.000 0.581 280 M N 1.673 121.333 119.600 0.100 0.000 2.408 280 M HA 0.312 4.793 4.480 0.001 0.000 0.363 280 M C 0.974 177.288 176.300 0.023 0.000 1.636 280 M CA 1.261 56.579 55.300 0.029 0.000 1.029 280 M CB 0.094 32.678 32.600 -0.027 0.000 2.068 280 M HN 0.368 nan 8.290 nan 0.000 0.466 281 G N 5.121 113.941 108.800 0.033 0.000 2.557 281 G HA2 0.522 4.482 3.960 0.001 0.000 0.302 281 G HA3 0.522 4.482 3.960 0.001 0.000 0.302 281 G C -2.490 172.414 174.900 0.008 0.000 1.311 281 G CA -1.188 43.932 45.100 0.034 0.000 1.030 281 G HN 0.559 nan 8.290 nan 0.000 0.509 282 P HA -0.035 nan 4.420 nan 0.000 0.220 282 P C 1.482 178.801 177.300 0.032 0.000 1.152 282 P CA 0.592 63.705 63.100 0.022 0.000 0.812 282 P CB 0.270 31.994 31.700 0.040 0.000 0.792 283 N N 0.058 118.786 118.700 0.046 0.000 2.166 283 N HA -0.133 4.608 4.740 0.001 0.000 0.186 283 N C 1.459 177.005 175.510 0.059 0.000 1.019 283 N CA 1.214 54.301 53.050 0.063 0.000 0.856 283 N CB -0.460 38.075 38.487 0.080 0.000 0.993 283 N HN 0.371 nan 8.380 nan 0.000 0.426 284 E N 0.552 120.774 120.200 0.037 0.000 2.400 284 E HA -0.019 4.332 4.350 0.001 0.000 0.195 284 E C 1.802 178.348 176.600 -0.091 0.000 1.012 284 E CA -0.065 56.340 56.400 0.009 0.000 0.875 284 E CB -0.459 29.220 29.700 -0.034 0.000 0.859 284 E HN 0.369 nan 8.360 nan 0.000 0.498 285 M N 1.797 121.321 119.600 -0.126 0.000 2.146 285 M HA -0.124 4.357 4.480 0.001 0.000 0.256 285 M C -0.930 175.017 176.300 -0.589 0.000 1.075 285 M CA 1.903 57.043 55.300 -0.268 0.000 1.082 285 M CB -0.936 31.552 32.600 -0.185 0.000 1.355 285 M HN -0.059 nan 8.290 nan 0.000 0.402 286 P HA -0.098 nan 4.420 nan 0.000 0.225 286 P C 1.415 178.409 177.300 -0.510 0.000 1.148 286 P CA 1.271 63.918 63.100 -0.756 0.000 0.779 286 P CB -0.704 31.031 31.700 0.057 0.000 0.780 287 I N -4.670 115.749 120.570 -0.252 0.000 2.916 287 I HA -0.119 4.051 4.170 0.001 0.000 0.267 287 I C 1.421 177.514 176.117 -0.041 0.000 1.263 287 I CA 1.293 62.574 61.300 -0.031 0.000 1.471 287 I CB -0.759 37.301 38.000 0.100 0.000 1.089 287 I HN -0.080 nan 8.210 nan 0.000 0.468 288 L N -0.475 120.505 121.223 -0.405 0.000 2.307 288 L HA 0.062 4.403 4.340 0.001 0.000 0.211 288 L C 2.252 178.747 176.870 -0.625 0.000 1.099 288 L CA 0.385 54.843 54.840 -0.636 0.000 0.816 288 L CB -0.402 41.263 42.059 -0.657 0.000 0.952 288 L HN 0.120 nan 8.230 nan 0.000 0.455 289 F N 0.799 120.610 119.950 -0.231 0.000 2.120 289 F HA -0.119 4.409 4.527 0.001 0.000 0.300 289 F C -0.112 175.618 175.800 -0.117 0.000 1.095 289 F CA 0.772 58.668 58.000 -0.174 0.000 1.249 289 F CB -2.579 36.368 39.000 -0.088 0.000 0.995 289 F HN 0.100 nan 8.300 nan 0.000 0.480 290 P HA -0.213 nan 4.420 nan 0.000 0.220 290 P C 0.491 177.974 177.300 0.306 0.000 1.142 290 P CA 1.702 64.946 63.100 0.240 0.000 0.801 290 P CB -0.437 31.459 31.700 0.327 0.000 0.764 291 F N -7.011 112.963 119.950 0.040 0.000 2.895 291 F HA 0.643 5.171 4.527 0.001 0.000 0.334 291 F C 1.310 177.109 175.800 -0.001 0.000 1.252 291 F CA -0.368 57.639 58.000 0.011 0.000 1.056 291 F CB -0.790 38.204 39.000 -0.009 0.000 1.311 291 F HN -0.267 nan 8.300 nan 0.000 0.506 292 A N 1.244 123.896 122.820 -0.281 0.000 2.024 292 A HA 0.053 4.373 4.320 0.001 0.000 0.220 292 A C 2.354 179.891 177.584 -0.078 0.000 1.164 292 A CA 1.888 53.780 52.037 -0.241 0.000 0.643 292 A CB -0.963 17.967 19.000 -0.118 0.000 0.806 292 A HN 0.735 nan 8.150 nan 0.000 0.451 293 A N -1.176 121.639 122.820 -0.009 0.000 2.076 293 A HA -0.203 4.118 4.320 0.001 0.000 0.220 293 A C 2.079 179.684 177.584 0.034 0.000 1.160 293 A CA 1.735 53.783 52.037 0.019 0.000 0.653 293 A CB -0.355 18.666 19.000 0.036 0.000 0.801 293 A HN 0.681 nan 8.150 nan 0.000 0.455 294 Q N -0.883 118.954 119.800 0.061 0.000 2.391 294 Q HA 0.212 4.552 4.340 0.001 0.000 0.211 294 Q C -0.008 176.034 176.000 0.071 0.000 0.908 294 Q CA -0.248 55.608 55.803 0.089 0.000 0.920 294 Q CB 0.091 28.928 28.738 0.166 0.000 1.056 294 Q HN 0.646 nan 8.270 nan 0.000 0.523 295 I N 2.074 122.668 120.570 0.039 0.000 2.668 295 I HA -0.110 4.061 4.170 0.001 0.000 0.285 295 I C 1.029 177.148 176.117 0.003 0.000 1.168 295 I CA 0.728 62.031 61.300 0.006 0.000 1.424 295 I CB 0.515 38.469 38.000 -0.076 0.000 1.377 295 I HN 0.214 nan 8.210 nan 0.000 0.560 296 R N 4.100 124.604 120.500 0.007 0.000 2.394 296 R HA 0.232 4.572 4.340 0.001 0.000 0.220 296 R C 0.206 176.505 176.300 -0.001 0.000 0.887 296 R CA -0.186 55.918 56.100 0.007 0.000 1.034 296 R CB 0.603 30.909 30.300 0.011 0.000 1.179 296 R HN 0.439 nan 8.270 nan 0.000 0.561 297 K N 1.090 121.484 120.400 -0.010 0.000 2.427 297 K HA 0.403 4.723 4.320 0.001 0.000 0.252 297 K C -1.911 174.673 176.600 -0.027 0.000 0.931 297 K CA -0.700 55.576 56.287 -0.019 0.000 0.793 297 K CB 1.671 34.154 32.500 -0.028 0.000 1.211 297 K HN -0.199 nan 8.250 nan 0.000 0.426 298 L N 2.991 124.199 121.223 -0.026 0.000 2.438 298 L HA 0.410 4.750 4.340 0.001 0.000 0.270 298 L C -1.588 175.268 176.870 -0.024 0.000 0.972 298 L CA -0.261 54.560 54.840 -0.033 0.000 0.831 298 L CB 1.937 43.975 42.059 -0.034 0.000 1.273 298 L HN 0.664 nan 8.230 nan 0.000 0.405 299 D N 4.377 124.764 120.400 -0.022 0.000 2.456 299 D HA 0.290 4.930 4.640 0.001 0.000 0.287 299 D C 0.066 176.361 176.300 -0.008 0.000 1.186 299 D CA -0.096 53.901 54.000 -0.005 0.000 0.916 299 D CB 0.317 41.132 40.800 0.026 0.000 1.029 299 D HN 0.504 nan 8.370 nan 0.000 0.498 300 L N 2.587 123.791 121.223 -0.031 0.000 2.737 300 L HA 0.111 4.452 4.340 0.001 0.000 0.236 300 L C 1.872 178.691 176.870 -0.084 0.000 1.219 300 L CA -0.343 54.470 54.840 -0.044 0.000 1.021 300 L CB 0.109 42.145 42.059 -0.038 0.000 1.291 300 L HN 0.266 nan 8.230 nan 0.000 0.470 301 L N 0.038 121.143 121.223 -0.197 0.000 2.017 301 L HA -0.156 4.185 4.340 0.001 0.000 0.208 301 L C 1.292 177.800 176.870 -0.605 0.000 1.073 301 L CA 2.142 56.692 54.840 -0.483 0.000 0.745 301 L CB -0.505 41.077 42.059 -0.796 0.000 0.894 301 L HN 0.370 nan 8.230 nan 0.000 0.432 302 Y N -0.906 119.353 120.300 -0.068 0.000 2.756 302 Y HA 0.511 5.061 4.550 0.001 0.000 0.300 302 Y C 0.695 176.488 175.900 -0.179 0.000 1.113 302 Y CA -0.386 57.612 58.100 -0.169 0.000 1.291 302 Y CB -0.215 38.064 38.460 -0.302 0.000 1.175 302 Y HN 0.064 nan 8.280 nan 0.000 0.534 303 A N 0.427 123.237 122.820 -0.017 0.000 2.303 303 A HA 0.560 4.881 4.320 0.001 0.000 0.317 303 A C -0.146 177.465 177.584 0.045 0.000 1.149 303 A CA -0.409 51.627 52.037 -0.001 0.000 0.822 303 A CB 0.686 19.661 19.000 -0.041 0.000 1.131 303 A HN 0.303 nan 8.150 nan 0.000 0.493 304 L N 2.707 123.973 121.223 0.071 0.000 3.036 304 L HA 0.264 4.605 4.340 0.001 0.000 0.237 304 L C 0.042 176.950 176.870 0.064 0.000 1.319 304 L CA 0.553 55.451 54.840 0.095 0.000 1.112 304 L CB -1.088 41.053 42.059 0.137 0.000 1.480 304 L HN 0.661 nan 8.230 nan 0.000 0.506 305 L N -2.564 118.682 121.223 0.038 0.000 2.333 305 L HA 0.716 5.057 4.340 0.001 0.000 0.269 305 L C -0.211 176.733 176.870 0.123 0.000 1.010 305 L CA -0.712 54.143 54.840 0.026 0.000 0.818 305 L CB 1.910 43.926 42.059 -0.072 0.000 1.306 305 L HN 0.093 nan 8.230 nan 0.000 0.430 306 E N 0.063 120.343 120.200 0.134 0.000 2.267 306 E HA 0.167 4.517 4.350 0.001 0.000 0.258 306 E C 0.382 177.130 176.600 0.246 0.000 1.074 306 E CA -0.514 55.985 56.400 0.166 0.000 0.915 306 E CB 1.345 31.100 29.700 0.092 0.000 1.186 306 E HN 0.736 nan 8.360 nan 0.000 0.439 307 T N -0.240 114.395 114.554 0.136 0.000 2.699 307 T HA -0.275 4.075 4.350 0.001 0.000 0.268 307 T C 1.657 176.432 174.700 0.125 0.000 1.036 307 T CA 2.253 64.403 62.100 0.083 0.000 1.147 307 T CB -0.132 68.741 68.868 0.009 0.000 0.862 307 T HN 0.552 nan 8.240 nan 0.000 0.446 308 E N -0.173 120.085 120.200 0.097 0.000 2.051 308 E HA -0.158 4.192 4.350 0.001 0.000 0.192 308 E C 1.928 178.581 176.600 0.089 0.000 0.991 308 E CA 1.505 57.952 56.400 0.078 0.000 0.799 308 E CB -0.140 29.593 29.700 0.055 0.000 0.748 308 E HN 0.563 nan 8.360 nan 0.000 0.449 309 D N -0.079 120.377 120.400 0.093 0.000 2.182 309 D HA -0.190 4.451 4.640 0.001 0.000 0.201 309 D C 1.834 178.157 176.300 0.039 0.000 0.986 309 D CA 0.934 54.970 54.000 0.059 0.000 0.847 309 D CB -0.361 40.457 40.800 0.030 0.000 0.942 309 D HN 0.415 nan 8.370 nan 0.000 0.467 310 H N 0.214 119.297 119.070 0.021 0.000 2.293 310 H HA -0.096 4.461 4.556 0.001 0.000 0.300 310 H C 2.491 177.827 175.328 0.014 0.000 1.082 310 H CA 1.375 57.432 56.048 0.014 0.000 1.308 310 H CB -0.261 29.508 29.762 0.013 0.000 1.375 310 H HN 0.241 nan 8.280 nan 0.000 0.495 311 C N 0.309 119.699 119.300 0.151 0.000 2.413 311 C HA -0.155 4.306 4.460 0.001 0.000 0.277 311 C C 3.121 178.122 174.990 0.017 0.000 1.265 311 C CA 1.605 60.670 59.018 0.078 0.000 1.752 311 C CB -1.263 26.517 27.740 0.066 0.000 1.998 311 C HN 0.739 nan 8.230 nan 0.000 0.489 312 T N -0.738 113.830 114.554 0.022 0.000 2.867 312 T HA -0.097 4.254 4.350 0.001 0.000 0.268 312 T C 1.690 176.395 174.700 0.008 0.000 1.057 312 T CA 1.244 63.336 62.100 -0.013 0.000 1.136 312 T CB -0.359 68.517 68.868 0.013 0.000 0.874 312 T HN 0.580 nan 8.240 nan 0.000 0.466 313 L N -0.027 121.228 121.223 0.055 0.000 2.084 313 L HA 0.123 4.464 4.340 0.001 0.000 0.202 313 L C 2.607 179.477 176.870 -0.000 0.000 1.074 313 L CA 0.854 55.742 54.840 0.079 0.000 0.757 313 L CB -0.255 41.804 42.059 -0.001 0.000 0.918 313 L HN 0.191 nan 8.230 nan 0.000 0.444 314 I N 0.001 120.568 120.570 -0.005 0.000 2.194 314 I HA -0.363 3.808 4.170 0.001 0.000 0.246 314 I C 2.487 178.565 176.117 -0.065 0.000 1.093 314 I CA 1.454 62.755 61.300 0.000 0.000 1.355 314 I CB -1.390 36.644 38.000 0.056 0.000 1.046 314 I HN 0.531 nan 8.210 nan 0.000 0.413 315 Q N 1.564 121.259 119.800 -0.175 0.000 2.308 315 Q HA -0.196 4.144 4.340 0.001 0.000 0.209 315 Q C 1.651 177.392 176.000 -0.431 0.000 0.985 315 Q CA 1.310 56.794 55.803 -0.532 0.000 0.881 315 Q CB 0.082 28.484 28.738 -0.560 0.000 0.917 315 Q HN 0.567 nan 8.270 nan 0.000 0.443 316 K N -1.212 119.070 120.400 -0.197 0.000 2.404 316 K HA 0.112 4.432 4.320 0.001 0.000 0.194 316 K C 0.227 176.789 176.600 -0.063 0.000 1.023 316 K CA -0.034 56.179 56.287 -0.123 0.000 1.094 316 K CB 0.666 33.140 32.500 -0.043 0.000 0.841 316 K HN 0.071 nan 8.250 nan 0.000 0.523 317 C N 2.719 121.991 119.300 -0.046 0.000 2.787 317 C HA 0.231 4.692 4.460 0.001 0.000 0.265 317 C C -1.340 173.665 174.990 0.024 0.000 1.190 317 C CA -1.341 57.668 59.018 -0.016 0.000 1.616 317 C CB 0.463 28.187 27.740 -0.027 0.000 1.732 317 C HN 0.233 nan 8.230 nan 0.000 0.433 318 P HA -0.077 nan 4.420 nan 0.000 0.223 318 P C 0.735 178.067 177.300 0.053 0.000 1.151 318 P CA 1.417 64.561 63.100 0.074 0.000 0.787 318 P CB 0.305 32.049 31.700 0.074 0.000 0.788 319 N N -0.544 118.177 118.700 0.036 0.000 2.236 319 N HA 0.059 4.800 4.740 0.001 0.000 0.196 319 N C 0.516 176.041 175.510 0.026 0.000 1.114 319 N CA -0.339 52.730 53.050 0.031 0.000 0.859 319 N CB 0.072 38.576 38.487 0.027 0.000 0.982 319 N HN 0.119 nan 8.380 nan 0.000 0.493 320 L N 2.811 124.049 121.223 0.025 0.000 2.667 320 L HA -0.101 4.240 4.340 0.001 0.000 0.278 320 L C 1.325 178.212 176.870 0.029 0.000 1.217 320 L CA 0.867 55.720 54.840 0.022 0.000 0.935 320 L CB 0.386 42.460 42.059 0.025 0.000 1.193 320 L HN 0.244 nan 8.230 nan 0.000 0.493 321 E N 3.266 123.480 120.200 0.023 0.000 2.485 321 E HA 0.195 4.546 4.350 0.001 0.000 0.213 321 E C -0.405 176.212 176.600 0.028 0.000 0.923 321 E CA -0.149 56.268 56.400 0.029 0.000 1.054 321 E CB 0.450 30.165 29.700 0.025 0.000 1.077 321 E HN 0.348 nan 8.360 nan 0.000 0.509 322 V N 2.264 122.188 119.914 0.017 0.000 2.577 322 V HA 0.401 4.522 4.120 0.001 0.000 0.303 322 V C -1.272 174.829 176.094 0.013 0.000 1.042 322 V CA -0.970 61.337 62.300 0.011 0.000 0.872 322 V CB 1.958 33.772 31.823 -0.016 0.000 0.998 322 V HN 0.202 nan 8.190 nan 0.000 0.423 323 L N 4.265 125.506 121.223 0.029 0.000 2.410 323 L HA 0.717 5.058 4.340 0.001 0.000 0.270 323 L C -0.617 176.275 176.870 0.036 0.000 0.983 323 L CA 0.091 54.950 54.840 0.031 0.000 0.822 323 L CB 2.107 44.195 42.059 0.048 0.000 1.285 323 L HN 0.713 nan 8.230 nan 0.000 0.409 324 E N 3.034 123.246 120.200 0.019 0.000 2.199 324 E HA 0.629 4.980 4.350 0.001 0.000 0.265 324 E C -1.179 175.424 176.600 0.004 0.000 0.882 324 E CA -0.534 55.873 56.400 0.013 0.000 0.759 324 E CB 2.212 31.905 29.700 -0.012 0.000 1.148 324 E HN 0.699 nan 8.360 nan 0.000 0.412 325 T N 1.253 115.814 114.554 0.011 0.000 2.731 325 T HA 0.408 4.759 4.350 0.001 0.000 0.300 325 T C -1.075 173.613 174.700 -0.020 0.000 1.283 325 T CA -0.677 61.434 62.100 0.019 0.000 1.005 325 T CB 1.167 70.107 68.868 0.119 0.000 1.420 325 T HN 0.334 nan 8.240 nan 0.000 0.503 326 R N 1.025 121.510 120.500 -0.026 0.000 2.549 326 R HA 0.368 4.709 4.340 0.001 0.000 0.259 326 R C 1.615 177.871 176.300 -0.073 0.000 1.095 326 R CA -0.294 55.771 56.100 -0.057 0.000 1.148 326 R CB 0.296 30.560 30.300 -0.060 0.000 1.181 326 R HN 0.846 nan 8.270 nan 0.000 0.571 327 N N -0.307 118.352 118.700 -0.067 0.000 2.520 327 N HA -0.115 4.626 4.740 0.001 0.000 0.185 327 N C 1.107 176.556 175.510 -0.101 0.000 1.068 327 N CA 0.300 53.313 53.050 -0.062 0.000 0.911 327 N CB -0.073 38.395 38.487 -0.030 0.000 0.961 327 N HN 0.142 nan 8.380 nan 0.000 0.446 328 V N 1.490 121.331 119.914 -0.122 0.000 2.453 328 V HA -0.256 3.865 4.120 0.001 0.000 0.252 328 V C 2.393 178.291 176.094 -0.327 0.000 1.068 328 V CA 1.309 63.517 62.300 -0.153 0.000 1.070 328 V CB -0.704 31.072 31.823 -0.077 0.000 0.664 328 V HN 0.350 nan 8.190 nan 0.000 0.461 329 I N 0.738 120.979 120.570 -0.548 0.000 2.227 329 I HA -0.138 4.033 4.170 0.001 0.000 0.250 329 I C 1.304 177.271 176.117 -0.250 0.000 1.087 329 I CA 1.490 62.419 61.300 -0.619 0.000 1.352 329 I CB -0.868 36.935 38.000 -0.328 0.000 1.043 329 I HN 0.518 nan 8.210 nan 0.000 0.425 330 G N -0.321 108.389 108.800 -0.149 0.000 2.880 330 G HA2 -0.287 3.674 3.960 0.001 0.000 0.617 330 G HA3 -0.287 3.674 3.960 0.001 0.000 0.617 330 G C 0.415 175.295 174.900 -0.032 0.000 1.493 330 G CA -0.000 45.059 45.100 -0.068 0.000 0.916 330 G HN 0.329 nan 8.290 nan 0.000 0.553 331 D N 0.061 120.455 120.400 -0.010 0.000 2.123 331 D HA -0.124 4.517 4.640 0.001 0.000 0.196 331 D C 2.384 178.691 176.300 0.012 0.000 0.992 331 D CA 1.533 55.537 54.000 0.006 0.000 0.833 331 D CB -0.031 40.776 40.800 0.011 0.000 0.954 331 D HN 0.547 nan 8.370 nan 0.000 0.455 332 R N 0.558 121.065 120.500 0.011 0.000 2.083 332 R HA -0.122 4.219 4.340 0.001 0.000 0.237 332 R C 2.388 178.708 176.300 0.034 0.000 1.137 332 R CA 1.894 58.008 56.100 0.023 0.000 0.951 332 R CB -0.600 29.715 30.300 0.024 0.000 0.851 332 R HN 0.166 nan 8.270 nan 0.000 0.434 333 G N 0.823 109.634 108.800 0.019 0.000 2.446 333 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 333 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 333 G C 1.439 176.367 174.900 0.046 0.000 1.168 333 G CA 0.986 46.106 45.100 0.033 0.000 0.771 333 G HN 0.274 nan 8.290 nan 0.000 0.551 334 L N -0.020 121.219 121.223 0.026 0.000 2.042 334 L HA -0.107 4.234 4.340 0.001 0.000 0.210 334 L C 2.888 179.785 176.870 0.046 0.000 1.076 334 L CA 1.520 56.383 54.840 0.037 0.000 0.749 334 L CB -0.384 41.692 42.059 0.029 0.000 0.893 334 L HN 0.276 nan 8.230 nan 0.000 0.432 335 E N -0.622 119.603 120.200 0.042 0.000 2.085 335 E HA -0.209 4.142 4.350 0.001 0.000 0.194 335 E C 2.214 178.853 176.600 0.065 0.000 0.994 335 E CA 1.513 57.936 56.400 0.038 0.000 0.801 335 E CB -0.036 29.683 29.700 0.032 0.000 0.743 335 E HN 0.265 nan 8.360 nan 0.000 0.453 336 V N 1.083 121.062 119.914 0.108 0.000 2.255 336 V HA -0.272 3.849 4.120 0.001 0.000 0.247 336 V C 2.302 178.542 176.094 0.242 0.000 1.051 336 V CA 1.558 63.984 62.300 0.210 0.000 1.018 336 V CB -0.516 31.411 31.823 0.172 0.000 0.641 336 V HN 0.268 nan 8.190 nan 0.000 0.445 337 L N 0.887 122.199 121.223 0.149 0.000 2.081 337 L HA -0.177 4.164 4.340 0.001 0.000 0.212 337 L C 2.498 179.422 176.870 0.090 0.000 1.080 337 L CA 2.298 57.213 54.840 0.125 0.000 0.754 337 L CB -1.008 41.104 42.059 0.088 0.000 0.893 337 L HN 0.264 nan 8.230 nan 0.000 0.433 338 A N -0.902 121.948 122.820 0.050 0.000 1.917 338 A HA -0.260 4.061 4.320 0.001 0.000 0.219 338 A C 2.155 179.706 177.584 -0.055 0.000 1.182 338 A CA 2.115 54.150 52.037 -0.004 0.000 0.633 338 A CB -0.539 18.450 19.000 -0.019 0.000 0.819 338 A HN 0.721 nan 8.150 nan 0.000 0.448 339 Q N -2.723 117.006 119.800 -0.117 0.000 2.246 339 Q HA 0.096 4.436 4.340 0.001 0.000 0.222 339 Q C 1.143 176.954 176.000 -0.315 0.000 0.851 339 Q CA 0.300 55.959 55.803 -0.241 0.000 0.945 339 Q CB -0.143 28.398 28.738 -0.328 0.000 1.122 339 Q HN 0.689 nan 8.270 nan 0.000 0.508 340 Y N 0.462 120.761 120.300 -0.001 0.000 2.397 340 Y HA 0.147 4.698 4.550 0.001 0.000 0.292 340 Y C 1.024 176.926 175.900 0.003 0.000 1.115 340 Y CA 0.211 58.311 58.100 0.000 0.000 1.208 340 Y CB 0.798 39.259 38.460 0.002 0.000 1.046 340 Y HN 0.136 nan 8.280 nan 0.000 0.552 341 C N 2.041 121.424 119.300 0.139 0.000 2.357 341 C HA 0.326 4.786 4.460 0.001 0.000 0.300 341 C C 1.125 176.145 174.990 0.050 0.000 1.074 341 C CA -1.325 57.746 59.018 0.088 0.000 1.566 341 C CB -0.006 27.786 27.740 0.087 0.000 1.791 341 C HN 0.299 nan 8.230 nan 0.000 0.415 342 K N 1.022 121.442 120.400 0.034 0.000 2.314 342 K HA -0.006 4.315 4.320 0.001 0.000 0.198 342 K C 1.522 178.137 176.600 0.026 0.000 1.045 342 K CA 0.888 57.185 56.287 0.016 0.000 0.988 342 K CB 0.189 32.690 32.500 0.001 0.000 0.783 342 K HN 0.661 nan 8.250 nan 0.000 0.484 343 Q N 0.732 120.551 119.800 0.033 0.000 2.365 343 Q HA 0.064 4.404 4.340 0.001 0.000 0.203 343 Q C 0.533 176.557 176.000 0.041 0.000 0.929 343 Q CA -0.192 55.631 55.803 0.034 0.000 0.948 343 Q CB -0.615 28.142 28.738 0.031 0.000 1.043 343 Q HN 0.093 nan 8.270 nan 0.000 0.505 344 L N 2.284 123.535 121.223 0.046 0.000 2.601 344 L HA -0.105 4.235 4.340 0.001 0.000 0.277 344 L C 1.005 177.914 176.870 0.065 0.000 1.219 344 L CA 0.845 55.718 54.840 0.055 0.000 0.915 344 L CB 0.515 42.611 42.059 0.061 0.000 1.160 344 L HN -0.066 nan 8.230 nan 0.000 0.494 345 K N 4.550 124.991 120.400 0.068 0.000 2.387 345 K HA 0.260 4.581 4.320 0.001 0.000 0.197 345 K C -0.079 176.593 176.600 0.120 0.000 1.127 345 K CA 0.358 56.694 56.287 0.083 0.000 0.950 345 K CB 0.648 33.185 32.500 0.062 0.000 1.017 345 K HN 0.552 nan 8.250 nan 0.000 0.519 346 R N 0.868 121.433 120.500 0.110 0.000 2.574 346 R HA 0.454 4.795 4.340 0.001 0.000 0.288 346 R C -1.408 174.986 176.300 0.158 0.000 1.004 346 R CA -0.748 55.449 56.100 0.163 0.000 0.895 346 R CB 1.901 32.222 30.300 0.035 0.000 1.191 346 R HN -0.115 nan 8.270 nan 0.000 0.444 347 L N 2.080 123.451 121.223 0.247 0.000 2.438 347 L HA 0.540 4.881 4.340 0.001 0.000 0.270 347 L C -1.246 175.755 176.870 0.219 0.000 0.972 347 L CA -0.431 54.516 54.840 0.177 0.000 0.831 347 L CB 1.824 43.959 42.059 0.127 0.000 1.273 347 L HN 0.661 nan 8.230 nan 0.000 0.405 348 R N 5.935 126.536 120.500 0.168 0.000 2.513 348 R HA 0.674 5.015 4.340 0.001 0.000 0.301 348 R C -1.484 174.875 176.300 0.097 0.000 0.968 348 R CA -0.616 55.586 56.100 0.169 0.000 0.872 348 R CB 1.258 31.675 30.300 0.194 0.000 1.177 348 R HN 0.732 nan 8.270 nan 0.000 0.444 349 I N 4.140 124.766 120.570 0.094 0.000 2.621 349 I HA 0.247 4.417 4.170 0.001 0.000 0.276 349 I C 0.167 176.372 176.117 0.147 0.000 1.118 349 I CA -0.641 60.707 61.300 0.079 0.000 1.159 349 I CB 0.854 38.890 38.000 0.060 0.000 1.357 349 I HN 0.568 nan 8.210 nan 0.000 0.513 350 E N 4.077 124.334 120.200 0.095 0.000 2.425 350 E HA 0.081 4.431 4.350 0.001 0.000 0.258 350 E C 0.325 176.850 176.600 -0.125 0.000 1.151 350 E CA -0.193 56.244 56.400 0.062 0.000 0.958 350 E CB 1.176 30.858 29.700 -0.030 0.000 0.968 350 E HN 0.510 nan 8.360 nan 0.000 0.451 351 R N -0.019 120.177 120.500 -0.507 0.000 2.254 351 R HA 0.505 4.845 4.340 0.001 0.000 0.318 351 R C 0.437 176.576 176.300 -0.269 0.000 1.031 351 R CA -0.365 55.451 56.100 -0.474 0.000 0.905 351 R CB 0.906 30.691 30.300 -0.858 0.000 1.050 351 R HN 0.400 nan 8.270 nan 0.000 0.456 352 G N 1.675 110.381 108.800 -0.156 0.000 2.509 352 G HA2 0.400 4.361 3.960 0.001 0.000 0.269 352 G HA3 0.400 4.361 3.960 0.001 0.000 0.269 352 G C -0.602 174.254 174.900 -0.073 0.000 1.416 352 G CA -0.689 44.355 45.100 -0.093 0.000 1.052 352 G HN 0.857 nan 8.290 nan 0.000 0.542 353 A N 0.108 122.906 122.820 -0.036 0.000 2.541 353 A HA 0.289 4.610 4.320 0.001 0.000 0.293 353 A C 0.379 177.949 177.584 -0.024 0.000 1.307 353 A CA -0.103 51.920 52.037 -0.022 0.000 0.978 353 A CB -0.284 18.715 19.000 -0.002 0.000 1.111 353 A HN 0.475 nan 8.150 nan 0.000 0.535 354 D N 2.530 122.911 120.400 -0.033 0.000 2.870 354 D HA 0.065 4.705 4.640 0.001 0.000 0.241 354 D C 0.784 177.077 176.300 -0.013 0.000 1.234 354 D CA 0.397 54.382 54.000 -0.026 0.000 0.844 354 D CB 0.487 41.266 40.800 -0.035 0.000 1.051 354 D HN 0.774 nan 8.370 nan 0.000 0.469 355 E N -0.235 119.960 120.200 -0.008 0.000 2.406 355 E HA 0.057 4.408 4.350 0.001 0.000 0.200 355 E C 0.190 176.790 176.600 0.000 0.000 1.034 355 E CA -0.302 56.097 56.400 -0.002 0.000 1.057 355 E CB 0.201 29.902 29.700 0.001 0.000 1.751 355 E HN -0.024 nan 8.360 nan 0.000 0.525 356 Q N 1.809 121.611 119.800 0.003 0.000 2.534 356 Q HA 0.283 4.624 4.340 0.001 0.000 0.223 356 Q C 0.421 176.424 176.000 0.004 0.000 1.239 356 Q CA 0.394 56.199 55.803 0.004 0.000 0.936 356 Q CB 0.236 28.978 28.738 0.007 0.000 1.457 356 Q HN 0.531 nan 8.270 nan 0.000 0.547 357 G N 2.270 111.071 108.800 0.002 0.000 2.682 357 G HA2 -0.286 3.674 3.960 0.001 0.000 0.256 357 G HA3 -0.286 3.674 3.960 0.001 0.000 0.256 357 G C 0.355 175.254 174.900 -0.001 0.000 1.333 357 G CA -0.367 44.734 45.100 0.002 0.000 0.904 357 G HN 0.428 nan 8.290 nan 0.000 0.569 358 M N -0.433 119.165 119.600 -0.003 0.000 1.682 358 M HA 0.181 4.662 4.480 0.001 0.000 0.110 358 M C 2.002 178.301 176.300 -0.002 0.000 1.049 358 M CA 0.983 56.279 55.300 -0.007 0.000 0.634 358 M CB -0.973 31.621 32.600 -0.010 0.000 0.771 358 M HN 0.746 nan 8.290 nan 0.000 0.342 359 E N -0.265 119.934 120.200 -0.002 0.000 2.447 359 E HA -0.032 4.319 4.350 0.001 0.000 0.195 359 E C -0.706 175.904 176.600 0.016 0.000 1.028 359 E CA 0.334 56.740 56.400 0.010 0.000 0.876 359 E CB 0.329 30.038 29.700 0.015 0.000 0.885 359 E HN 0.604 nan 8.360 nan 0.000 0.500 360 D N -1.339 119.066 120.400 0.009 0.000 2.921 360 D HA 0.025 4.665 4.640 0.001 0.000 0.329 360 D C 0.207 176.511 176.300 0.007 0.000 1.293 360 D CA -0.644 53.363 54.000 0.012 0.000 0.964 360 D CB 0.030 40.842 40.800 0.019 0.000 1.435 360 D HN -0.234 nan 8.370 nan 0.000 0.548 361 E N -0.838 119.367 120.200 0.008 0.000 2.474 361 E HA 0.081 4.432 4.350 0.001 0.000 0.194 361 E C 0.405 177.008 176.600 0.005 0.000 1.041 361 E CA 0.635 57.039 56.400 0.006 0.000 0.874 361 E CB 0.171 29.877 29.700 0.008 0.000 0.914 361 E HN 0.480 nan 8.360 nan 0.000 0.498 362 E N -1.207 118.995 120.200 0.003 0.000 2.481 362 E HA 0.142 4.493 4.350 0.001 0.000 0.198 362 E C 0.987 177.579 176.600 -0.013 0.000 1.027 362 E CA 0.273 56.673 56.400 -0.001 0.000 0.900 362 E CB 0.747 30.449 29.700 0.004 0.000 0.993 362 E HN 0.166 nan 8.360 nan 0.000 0.482 363 G N 1.544 110.334 108.800 -0.015 0.000 3.318 363 G HA2 0.164 4.125 3.960 0.001 0.000 0.230 363 G HA3 0.164 4.125 3.960 0.001 0.000 0.230 363 G C -0.064 174.821 174.900 -0.025 0.000 1.317 363 G CA 0.122 45.204 45.100 -0.029 0.000 1.197 363 G HN -0.067 nan 8.290 nan 0.000 0.514 364 L N 0.226 121.439 121.223 -0.016 0.000 2.346 364 L HA 0.571 4.911 4.340 0.001 0.000 0.274 364 L C 0.140 177.006 176.870 -0.006 0.000 1.007 364 L CA -1.164 53.671 54.840 -0.007 0.000 0.818 364 L CB 2.222 44.281 42.059 -0.000 0.000 1.284 364 L HN 0.008 nan 8.230 nan 0.000 0.424 365 V N -0.439 119.476 119.914 0.003 0.000 2.630 365 V HA 1.031 5.152 4.120 0.001 0.000 0.305 365 V C -0.069 176.038 176.094 0.020 0.000 1.046 365 V CA -0.333 61.974 62.300 0.011 0.000 0.934 365 V CB 1.476 33.308 31.823 0.014 0.000 1.003 365 V HN 0.916 nan 8.190 nan 0.000 0.451 366 S N 1.898 117.614 115.700 0.026 0.000 2.688 366 S HA 0.433 4.904 4.470 0.001 0.000 0.275 366 S C 0.513 175.137 174.600 0.041 0.000 1.175 366 S CA -0.318 57.900 58.200 0.030 0.000 0.818 366 S CB 1.614 64.828 63.200 0.024 0.000 1.157 366 S HN 0.688 nan 8.310 nan 0.000 0.482 367 Q N 0.849 120.675 119.800 0.043 0.000 2.182 367 Q HA -0.201 4.140 4.340 0.001 0.000 0.213 367 Q C 2.095 178.124 176.000 0.047 0.000 1.000 367 Q CA 2.524 58.358 55.803 0.051 0.000 0.889 367 Q CB -0.518 28.247 28.738 0.045 0.000 0.932 367 Q HN 0.711 nan 8.270 nan 0.000 0.415 368 R N -0.011 120.511 120.500 0.037 0.000 2.082 368 R HA -0.160 4.181 4.340 0.001 0.000 0.234 368 R C 2.353 178.673 176.300 0.033 0.000 1.136 368 R CA 1.865 57.984 56.100 0.031 0.000 0.935 368 R CB -0.878 29.436 30.300 0.024 0.000 0.842 368 R HN 0.412 nan 8.270 nan 0.000 0.430 369 G N 0.757 109.577 108.800 0.033 0.000 2.421 369 G HA2 -0.238 3.722 3.960 0.001 0.000 0.216 369 G HA3 -0.238 3.722 3.960 0.001 0.000 0.216 369 G C 1.505 176.433 174.900 0.047 0.000 1.171 369 G CA 0.892 46.013 45.100 0.034 0.000 0.775 369 G HN 0.255 nan 8.290 nan 0.000 0.543 370 L N -0.016 121.243 121.223 0.061 0.000 1.989 370 L HA -0.023 4.318 4.340 0.001 0.000 0.211 370 L C 2.717 179.636 176.870 0.081 0.000 1.071 370 L CA 1.132 56.023 54.840 0.085 0.000 0.749 370 L CB -0.346 41.779 42.059 0.109 0.000 0.890 370 L HN 0.251 nan 8.230 nan 0.000 0.431 371 I N -0.501 120.111 120.570 0.071 0.000 2.493 371 I HA -0.249 3.921 4.170 0.001 0.000 0.254 371 I C 2.526 178.668 176.117 0.041 0.000 1.160 371 I CA 1.115 62.459 61.300 0.072 0.000 1.445 371 I CB 0.001 38.044 38.000 0.070 0.000 1.086 371 I HN 0.201 nan 8.210 nan 0.000 0.433 372 A N 0.652 123.488 122.820 0.026 0.000 1.873 372 A HA -0.210 4.110 4.320 0.001 0.000 0.215 372 A C 2.188 179.765 177.584 -0.013 0.000 1.186 372 A CA 1.799 53.835 52.037 -0.001 0.000 0.616 372 A CB -0.921 18.083 19.000 0.007 0.000 0.823 372 A HN 0.514 nan 8.150 nan 0.000 0.442 373 L N -0.191 121.043 121.223 0.018 0.000 2.056 373 L HA -0.016 4.325 4.340 0.001 0.000 0.207 373 L C 2.617 179.498 176.870 0.019 0.000 1.078 373 L CA 2.207 57.063 54.840 0.027 0.000 0.749 373 L CB -0.726 41.367 42.059 0.058 0.000 0.901 373 L HN 0.322 nan 8.230 nan 0.000 0.433 374 A N -1.060 121.786 122.820 0.043 0.000 1.978 374 A HA -0.259 4.062 4.320 0.001 0.000 0.220 374 A C 2.172 179.723 177.584 -0.055 0.000 1.170 374 A CA 2.019 54.099 52.037 0.071 0.000 0.636 374 A CB -0.519 18.570 19.000 0.148 0.000 0.810 374 A HN 0.724 nan 8.150 nan 0.000 0.448 375 Q N -1.259 118.423 119.800 -0.196 0.000 2.163 375 Q HA 0.023 4.363 4.340 0.001 0.000 0.198 375 Q C 2.238 178.050 176.000 -0.312 0.000 0.954 375 Q CA 0.861 56.361 55.803 -0.506 0.000 0.851 375 Q CB -0.213 28.263 28.738 -0.437 0.000 0.928 375 Q HN 0.643 nan 8.270 nan 0.000 0.459 376 G N 0.549 109.254 108.800 -0.158 0.000 2.404 376 G HA2 -0.131 3.830 3.960 0.001 0.000 0.213 376 G HA3 -0.131 3.830 3.960 0.001 0.000 0.213 376 G C 0.555 175.418 174.900 -0.060 0.000 1.189 376 G CA 0.320 45.358 45.100 -0.105 0.000 0.796 376 G HN 0.339 nan 8.290 nan 0.000 0.532 377 C N 1.763 121.050 119.300 -0.022 0.000 2.203 377 C HA 0.427 4.888 4.460 0.001 0.000 0.413 377 C C 1.415 176.426 174.990 0.034 0.000 1.054 377 C CA -0.701 58.327 59.018 0.016 0.000 1.496 377 C CB -0.699 27.066 27.740 0.041 0.000 1.573 377 C HN 0.512 nan 8.230 nan 0.000 0.498 378 Q N 0.150 119.965 119.800 0.026 0.000 2.451 378 Q HA -0.038 4.303 4.340 0.001 0.000 0.206 378 Q C 1.442 177.482 176.000 0.066 0.000 0.947 378 Q CA 0.749 56.586 55.803 0.056 0.000 0.937 378 Q CB 0.351 29.123 28.738 0.056 0.000 1.025 378 Q HN 0.756 nan 8.270 nan 0.000 0.511 379 E N 0.427 120.661 120.200 0.057 0.000 2.489 379 E HA 0.063 4.413 4.350 0.001 0.000 0.193 379 E C -0.147 176.499 176.600 0.077 0.000 1.057 379 E CA -0.207 56.229 56.400 0.061 0.000 0.866 379 E CB 0.286 30.015 29.700 0.049 0.000 0.916 379 E HN 0.308 nan 8.360 nan 0.000 0.500 380 L N 1.608 122.885 121.223 0.090 0.000 2.578 380 L HA -0.113 4.228 4.340 0.001 0.000 0.279 380 L C 1.165 178.114 176.870 0.131 0.000 1.227 380 L CA 0.878 55.788 54.840 0.116 0.000 0.900 380 L CB 0.331 42.468 42.059 0.129 0.000 1.144 380 L HN 0.176 nan 8.230 nan 0.000 0.496 381 E N 2.291 122.584 120.200 0.155 0.000 2.421 381 E HA 0.037 4.388 4.350 0.001 0.000 0.209 381 E C -0.860 175.887 176.600 0.244 0.000 0.871 381 E CA 0.009 56.511 56.400 0.170 0.000 1.064 381 E CB 0.848 30.633 29.700 0.142 0.000 1.075 381 E HN 0.479 nan 8.360 nan 0.000 0.513 382 Y N 1.283 121.646 120.300 0.105 0.000 2.373 382 Y HA 0.513 5.064 4.550 0.001 0.000 0.336 382 Y C -1.345 174.616 175.900 0.102 0.000 0.979 382 Y CA -0.889 57.276 58.100 0.108 0.000 1.080 382 Y CB 1.372 39.876 38.460 0.074 0.000 1.190 382 Y HN -0.195 nan 8.280 nan 0.000 0.446 383 M N 6.236 125.715 119.600 -0.202 0.000 2.124 383 M HA 0.774 5.255 4.480 0.001 0.000 0.280 383 M C -1.984 174.045 176.300 -0.452 0.000 0.954 383 M CA -0.498 54.720 55.300 -0.137 0.000 0.958 383 M CB 1.166 33.821 32.600 0.091 0.000 1.611 383 M HN 0.844 nan 8.290 nan 0.000 0.449 384 A N 4.642 127.270 122.820 -0.321 0.000 2.343 384 A HA 0.851 5.172 4.320 0.001 0.000 0.308 384 A C -1.594 175.888 177.584 -0.170 0.000 1.092 384 A CA -0.554 51.285 52.037 -0.330 0.000 0.751 384 A CB 1.632 20.511 19.000 -0.202 0.000 1.203 384 A HN 0.595 nan 8.150 nan 0.000 0.452 385 V N 2.627 122.384 119.914 -0.262 0.000 2.777 385 V HA 0.301 4.422 4.120 0.001 0.000 0.306 385 V C -1.652 174.332 176.094 -0.185 0.000 1.112 385 V CA -0.411 61.808 62.300 -0.135 0.000 0.917 385 V CB 1.896 33.650 31.823 -0.114 0.000 1.018 385 V HN 0.816 nan 8.190 nan 0.000 0.426 386 Y N 3.444 123.696 120.300 -0.081 0.000 2.454 386 Y HA 0.564 5.115 4.550 0.001 0.000 0.345 386 Y C 0.215 176.081 175.900 -0.056 0.000 0.970 386 Y CA -0.172 57.883 58.100 -0.076 0.000 1.204 386 Y CB 1.789 40.211 38.460 -0.064 0.000 1.122 386 Y HN 0.446 nan 8.280 nan 0.000 0.514 387 V N 2.905 122.851 119.914 0.054 0.000 2.713 387 V HA 0.297 4.418 4.120 0.001 0.000 0.307 387 V C 0.389 176.505 176.094 0.036 0.000 1.052 387 V CA -0.127 62.194 62.300 0.036 0.000 0.967 387 V CB 2.022 33.852 31.823 0.012 0.000 1.019 387 V HN 0.859 nan 8.190 nan 0.000 0.459 388 S N 3.147 118.864 115.700 0.028 0.000 2.535 388 S HA 0.258 4.729 4.470 0.001 0.000 0.214 388 S C -0.161 174.446 174.600 0.013 0.000 0.980 388 S CA -0.044 58.167 58.200 0.020 0.000 0.907 388 S CB -0.006 63.202 63.200 0.014 0.000 0.790 388 S HN 0.853 nan 8.310 nan 0.000 0.510 389 D N 0.313 120.722 120.400 0.015 0.000 2.795 389 D HA 0.423 5.064 4.640 0.001 0.000 0.206 389 D C -1.600 174.714 176.300 0.025 0.000 1.278 389 D CA -0.548 53.461 54.000 0.015 0.000 0.839 389 D CB 0.916 41.725 40.800 0.015 0.000 1.700 389 D HN 0.021 nan 8.370 nan 0.000 0.549 390 I N 0.100 120.686 120.570 0.027 0.000 3.067 390 I HA 0.843 5.014 4.170 0.001 0.000 0.312 390 I C -0.056 176.092 176.117 0.051 0.000 1.073 390 I CA -0.830 60.498 61.300 0.047 0.000 1.016 390 I CB 1.854 39.889 38.000 0.059 0.000 1.227 390 I HN 0.222 nan 8.210 nan 0.000 0.456 391 T N 0.066 114.659 114.554 0.064 0.000 2.909 391 T HA 0.358 4.709 4.350 0.001 0.000 0.299 391 T C 0.540 175.285 174.700 0.075 0.000 1.073 391 T CA -0.574 61.562 62.100 0.060 0.000 0.999 391 T CB 1.087 69.984 68.868 0.048 0.000 1.098 391 T HN 0.658 nan 8.240 nan 0.000 0.477 392 N N 1.778 120.521 118.700 0.072 0.000 2.184 392 N HA -0.162 4.579 4.740 0.001 0.000 0.190 392 N C 1.555 177.095 175.510 0.051 0.000 1.011 392 N CA 1.421 54.514 53.050 0.071 0.000 0.867 392 N CB 0.051 38.573 38.487 0.058 0.000 0.993 392 N HN 0.761 nan 8.380 nan 0.000 0.433 393 E N 0.929 121.155 120.200 0.044 0.000 2.058 393 E HA -0.175 4.176 4.350 0.001 0.000 0.194 393 E C 1.983 178.609 176.600 0.043 0.000 0.997 393 E CA 1.691 58.112 56.400 0.034 0.000 0.801 393 E CB 0.085 29.806 29.700 0.035 0.000 0.746 393 E HN 0.402 nan 8.360 nan 0.000 0.450 394 S N 1.028 116.765 115.700 0.061 0.000 2.370 394 S HA -0.169 4.302 4.470 0.001 0.000 0.226 394 S C 2.186 176.830 174.600 0.074 0.000 1.033 394 S CA 1.201 59.447 58.200 0.076 0.000 1.011 394 S CB -0.754 62.500 63.200 0.090 0.000 0.852 394 S HN 0.302 nan 8.310 nan 0.000 0.457 395 L N 1.292 122.559 121.223 0.073 0.000 2.083 395 L HA -0.102 4.238 4.340 0.001 0.000 0.209 395 L C 2.853 179.708 176.870 -0.026 0.000 1.083 395 L CA 1.661 56.523 54.840 0.036 0.000 0.752 395 L CB -0.830 41.272 42.059 0.072 0.000 0.899 395 L HN 0.400 nan 8.230 nan 0.000 0.433 396 E N 0.314 120.502 120.200 -0.019 0.000 2.110 396 E HA -0.161 4.190 4.350 0.001 0.000 0.193 396 E C 2.310 178.877 176.600 -0.055 0.000 0.988 396 E CA 1.571 57.937 56.400 -0.057 0.000 0.804 396 E CB -0.029 29.641 29.700 -0.050 0.000 0.745 396 E HN 0.541 nan 8.360 nan 0.000 0.458 397 S N 0.928 116.631 115.700 0.005 0.000 2.406 397 S HA -0.084 4.387 4.470 0.001 0.000 0.228 397 S C 2.025 176.682 174.600 0.094 0.000 1.020 397 S CA 0.417 58.657 58.200 0.067 0.000 0.965 397 S CB -0.149 63.148 63.200 0.161 0.000 0.798 397 S HN 0.118 nan 8.310 nan 0.000 0.488 398 I N 2.749 123.347 120.570 0.047 0.000 2.076 398 I HA -0.136 4.035 4.170 0.001 0.000 0.237 398 I C 2.834 178.932 176.117 -0.031 0.000 1.059 398 I CA 1.889 63.201 61.300 0.020 0.000 1.317 398 I CB -1.905 36.048 38.000 -0.078 0.000 1.037 398 I HN 0.466 nan 8.210 nan 0.000 0.398 399 G N -0.879 107.860 108.800 -0.101 0.000 2.535 399 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 399 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 399 G C 1.690 176.516 174.900 -0.122 0.000 1.122 399 G CA 1.267 46.290 45.100 -0.128 0.000 0.769 399 G HN 0.347 nan 8.290 nan 0.000 0.549 400 T N -1.548 112.925 114.554 -0.136 0.000 3.010 400 T HA 0.141 4.492 4.350 0.001 0.000 0.252 400 T C 1.798 176.330 174.700 -0.279 0.000 1.047 400 T CA 0.525 62.470 62.100 -0.258 0.000 1.140 400 T CB 0.017 68.656 68.868 -0.382 0.000 0.885 400 T HN 0.403 nan 8.240 nan 0.000 0.464 401 Y N 0.419 120.706 120.300 -0.021 0.000 2.500 401 Y HA 0.358 4.908 4.550 0.001 0.000 0.284 401 Y C 0.181 176.082 175.900 0.002 0.000 1.118 401 Y CA -0.399 57.697 58.100 -0.007 0.000 1.241 401 Y CB 0.544 39.005 38.460 0.001 0.000 1.171 401 Y HN 0.087 nan 8.280 nan 0.000 0.540 402 L N -0.459 120.858 121.223 0.155 0.000 2.297 402 L HA 0.521 4.862 4.340 0.001 0.000 0.277 402 L C 0.182 177.091 176.870 0.066 0.000 1.040 402 L CA -0.521 54.384 54.840 0.109 0.000 0.867 402 L CB 1.057 43.184 42.059 0.114 0.000 1.244 402 L HN -0.253 nan 8.230 nan 0.000 0.433 403 K N 1.821 122.254 120.400 0.055 0.000 2.137 403 K HA 0.050 4.370 4.320 0.001 0.000 0.202 403 K C 0.874 177.498 176.600 0.040 0.000 1.052 403 K CA 1.037 57.343 56.287 0.030 0.000 0.961 403 K CB 0.029 32.542 32.500 0.022 0.000 0.741 403 K HN 0.805 nan 8.250 nan 0.000 0.452 404 N N 0.683 119.417 118.700 0.056 0.000 2.389 404 N HA 0.034 4.774 4.740 0.001 0.000 0.237 404 N C -0.463 175.100 175.510 0.088 0.000 1.148 404 N CA -0.050 53.039 53.050 0.064 0.000 0.854 404 N CB -0.211 38.312 38.487 0.059 0.000 1.115 404 N HN 0.032 nan 8.380 nan 0.000 0.492 405 L N 0.311 121.591 121.223 0.094 0.000 2.534 405 L HA -0.023 4.317 4.340 0.001 0.000 0.271 405 L C 0.317 177.268 176.870 0.135 0.000 1.178 405 L CA -0.065 54.853 54.840 0.129 0.000 0.907 405 L CB 0.387 42.523 42.059 0.127 0.000 1.164 405 L HN 0.403 nan 8.230 nan 0.000 0.482 406 C N 2.209 121.607 119.300 0.163 0.000 2.689 406 C HA 0.205 4.666 4.460 0.001 0.000 0.336 406 C C 0.607 175.725 174.990 0.212 0.000 1.304 406 C CA -0.186 58.932 59.018 0.168 0.000 1.860 406 C CB 0.001 27.836 27.740 0.158 0.000 2.405 406 C HN 0.730 nan 8.230 nan 0.000 0.557 407 D N 0.028 120.558 120.400 0.216 0.000 2.549 407 D HA 0.396 5.036 4.640 0.001 0.000 0.251 407 D C -1.653 174.704 176.300 0.094 0.000 1.153 407 D CA -0.112 53.997 54.000 0.182 0.000 0.861 407 D CB 1.027 41.938 40.800 0.186 0.000 1.207 407 D HN 0.216 nan 8.370 nan 0.000 0.543 408 F N 4.256 124.244 119.950 0.062 0.000 2.507 408 F HA 0.522 5.050 4.527 0.001 0.000 0.328 408 F C -0.949 174.840 175.800 -0.018 0.000 1.136 408 F CA -0.611 57.408 58.000 0.031 0.000 0.930 408 F CB 1.003 40.113 39.000 0.184 0.000 1.166 408 F HN 0.165 nan 8.300 nan 0.000 0.436 409 R N 7.021 127.016 120.500 -0.842 0.000 2.575 409 R HA 0.657 4.998 4.340 0.001 0.000 0.293 409 R C -2.034 173.760 176.300 -0.842 0.000 0.983 409 R CA -1.114 54.598 56.100 -0.646 0.000 0.887 409 R CB 2.488 32.592 30.300 -0.326 0.000 1.184 409 R HN 0.552 nan 8.270 nan 0.000 0.445 410 L N 3.485 124.353 121.223 -0.591 0.000 2.410 410 L HA 0.594 4.934 4.340 0.001 0.000 0.270 410 L C -1.463 175.173 176.870 -0.390 0.000 0.983 410 L CA -0.788 53.785 54.840 -0.446 0.000 0.822 410 L CB 2.258 44.216 42.059 -0.169 0.000 1.285 410 L HN 0.452 nan 8.230 nan 0.000 0.409 411 V N 5.749 125.416 119.914 -0.411 0.000 2.577 411 V HA 0.389 4.510 4.120 0.001 0.000 0.303 411 V C -0.451 175.542 176.094 -0.169 0.000 1.042 411 V CA -0.757 61.343 62.300 -0.333 0.000 0.872 411 V CB 2.139 33.559 31.823 -0.671 0.000 0.998 411 V HN 0.652 nan 8.190 nan 0.000 0.423 412 L N 4.940 126.124 121.223 -0.064 0.000 2.272 412 L HA 0.678 5.019 4.340 0.001 0.000 0.289 412 L C -0.520 176.376 176.870 0.043 0.000 1.032 412 L CA -0.090 54.741 54.840 -0.014 0.000 0.810 412 L CB 0.892 42.923 42.059 -0.047 0.000 1.205 412 L HN 0.293 nan 8.230 nan 0.000 0.422 413 L N 3.213 124.474 121.223 0.062 0.000 2.483 413 L HA 0.132 4.473 4.340 0.001 0.000 0.276 413 L C 1.001 177.885 176.870 0.024 0.000 1.213 413 L CA 0.508 55.384 54.840 0.061 0.000 0.843 413 L CB 0.085 42.175 42.059 0.051 0.000 1.107 413 L HN 0.724 nan 8.230 nan 0.000 0.487 414 D N 0.952 121.362 120.400 0.017 0.000 2.349 414 D HA -0.040 4.601 4.640 0.001 0.000 0.224 414 D C 1.827 178.121 176.300 -0.010 0.000 1.029 414 D CA 0.168 54.162 54.000 -0.011 0.000 0.879 414 D CB 0.220 41.009 40.800 -0.019 0.000 0.906 414 D HN 0.353 nan 8.370 nan 0.000 0.528 415 R N 1.232 121.732 120.500 -0.002 0.000 2.094 415 R HA -0.102 4.239 4.340 0.001 0.000 0.239 415 R C 0.474 176.771 176.300 -0.006 0.000 1.137 415 R CA 1.144 57.242 56.100 -0.003 0.000 0.943 415 R CB -0.133 30.167 30.300 -0.001 0.000 0.850 415 R HN 0.004 nan 8.270 nan 0.000 0.433 416 E N 0.964 121.161 120.200 -0.006 0.000 2.373 416 E HA -0.030 4.321 4.350 0.001 0.000 0.267 416 E C 0.713 177.306 176.600 -0.013 0.000 1.032 416 E CA 0.034 56.430 56.400 -0.007 0.000 0.889 416 E CB 0.911 30.609 29.700 -0.003 0.000 0.984 416 E HN 0.286 nan 8.360 nan 0.000 0.425 417 E N 2.087 122.280 120.200 -0.011 0.000 2.045 417 E HA -0.003 4.347 4.350 0.001 0.000 0.190 417 E C 0.205 176.796 176.600 -0.015 0.000 0.968 417 E CA 0.867 57.258 56.400 -0.015 0.000 0.813 417 E CB 0.161 29.854 29.700 -0.011 0.000 0.780 417 E HN 0.346 nan 8.360 nan 0.000 0.455 418 R N 0.662 121.156 120.500 -0.009 0.000 2.407 418 R HA 0.508 4.849 4.340 0.001 0.000 0.303 418 R C -0.537 175.761 176.300 -0.004 0.000 0.981 418 R CA -0.612 55.484 56.100 -0.007 0.000 0.905 418 R CB 1.220 31.518 30.300 -0.003 0.000 1.099 418 R HN -0.091 nan 8.270 nan 0.000 0.459 419 I N 1.869 122.437 120.570 -0.003 0.000 2.378 419 I HA 0.150 4.320 4.170 0.001 0.000 0.291 419 I C 1.158 177.280 176.117 0.009 0.000 0.992 419 I CA 0.019 61.320 61.300 0.002 0.000 1.154 419 I CB 1.837 39.836 38.000 -0.001 0.000 1.315 419 I HN 0.698 nan 8.210 nan 0.000 0.448 420 T N 3.300 117.861 114.554 0.013 0.000 2.152 420 T HA -0.268 4.083 4.350 0.001 0.000 0.194 420 T C 0.284 174.995 174.700 0.018 0.000 1.715 420 T CA 2.024 64.134 62.100 0.016 0.000 1.135 420 T CB -0.453 68.427 68.868 0.020 0.000 0.856 420 T HN 0.819 nan 8.240 nan 0.000 0.393 421 D N 0.921 121.336 120.400 0.025 0.000 2.256 421 D HA 0.440 5.081 4.640 0.001 0.000 0.240 421 D C 0.471 176.792 176.300 0.035 0.000 1.062 421 D CA -0.704 53.313 54.000 0.029 0.000 0.832 421 D CB 0.888 41.708 40.800 0.033 0.000 1.135 421 D HN 0.061 nan 8.370 nan 0.000 0.484 422 L N 3.412 124.654 121.223 0.031 0.000 2.121 422 L HA 0.368 4.709 4.340 0.001 0.000 0.200 422 L C -1.760 175.143 176.870 0.055 0.000 1.132 422 L CA 0.174 55.035 54.840 0.034 0.000 0.782 422 L CB -1.379 40.691 42.059 0.019 0.000 0.940 422 L HN 0.443 nan 8.230 nan 0.000 0.458 423 P HA -0.047 nan 4.420 nan 0.000 0.256 423 P C 0.105 177.464 177.300 0.099 0.000 1.173 423 P CA 1.043 64.186 63.100 0.071 0.000 0.768 423 P CB 0.037 31.770 31.700 0.055 0.000 0.758 424 L N 2.254 123.563 121.223 0.143 0.000 2.653 424 L HA 0.043 4.383 4.340 0.001 0.000 0.231 424 L C 1.307 178.288 176.870 0.185 0.000 1.153 424 L CA 0.061 55.010 54.840 0.182 0.000 0.933 424 L CB -0.342 41.887 42.059 0.283 0.000 1.175 424 L HN 0.253 nan 8.230 nan 0.000 0.473 425 D N 0.887 121.389 120.400 0.170 0.000 2.157 425 D HA -0.242 4.399 4.640 0.001 0.000 0.191 425 D C 1.598 178.071 176.300 0.289 0.000 1.004 425 D CA 1.503 55.638 54.000 0.224 0.000 0.854 425 D CB -0.087 40.807 40.800 0.156 0.000 0.936 425 D HN 0.367 nan 8.370 nan 0.000 0.446 426 N N -0.048 118.757 118.700 0.174 0.000 2.376 426 N HA -0.016 4.725 4.740 0.001 0.000 0.177 426 N C 1.936 177.441 175.510 -0.009 0.000 1.024 426 N CA 0.886 53.978 53.050 0.069 0.000 0.893 426 N CB -0.071 38.446 38.487 0.050 0.000 0.980 426 N HN 0.236 nan 8.380 nan 0.000 0.439 427 G N 1.372 110.195 108.800 0.038 0.000 2.394 427 G HA2 -0.117 3.843 3.960 0.001 0.000 0.214 427 G HA3 -0.117 3.843 3.960 0.001 0.000 0.214 427 G C 1.712 176.600 174.900 -0.020 0.000 1.176 427 G CA 0.580 45.692 45.100 0.020 0.000 0.786 427 G HN 0.122 nan 8.290 nan 0.000 0.533 428 V N 1.145 121.066 119.914 0.012 0.000 2.252 428 V HA -0.245 3.876 4.120 0.001 0.000 0.249 428 V C 2.736 178.722 176.094 -0.180 0.000 1.056 428 V CA 2.264 64.497 62.300 -0.111 0.000 1.022 428 V CB -0.690 31.051 31.823 -0.137 0.000 0.641 428 V HN 0.369 nan 8.190 nan 0.000 0.445 429 R N 0.930 121.335 120.500 -0.159 0.000 2.097 429 R HA -0.224 4.116 4.340 0.001 0.000 0.236 429 R C 2.565 178.609 176.300 -0.426 0.000 1.135 429 R CA 2.489 58.365 56.100 -0.373 0.000 0.934 429 R CB -0.533 29.414 30.300 -0.588 0.000 0.846 429 R HN 0.701 nan 8.270 nan 0.000 0.431 430 S N 1.228 116.740 115.700 -0.314 0.000 2.399 430 S HA -0.155 4.316 4.470 0.001 0.000 0.231 430 S C 1.950 176.401 174.600 -0.248 0.000 1.022 430 S CA 1.043 59.076 58.200 -0.279 0.000 0.983 430 S CB -0.467 62.614 63.200 -0.198 0.000 0.803 430 S HN 0.350 nan 8.310 nan 0.000 0.480 431 L N 2.242 123.325 121.223 -0.232 0.000 1.988 431 L HA 0.133 4.474 4.340 0.001 0.000 0.207 431 L C 2.103 178.811 176.870 -0.270 0.000 1.071 431 L CA 1.555 56.248 54.840 -0.245 0.000 0.744 431 L CB -1.332 40.565 42.059 -0.270 0.000 0.893 431 L HN 0.330 nan 8.230 nan 0.000 0.433 432 L N -0.669 120.366 121.223 -0.313 0.000 2.187 432 L HA -0.232 4.109 4.340 0.001 0.000 0.213 432 L C 2.512 179.257 176.870 -0.208 0.000 1.100 432 L CA 1.298 55.961 54.840 -0.295 0.000 0.765 432 L CB -0.437 41.448 42.059 -0.290 0.000 0.904 432 L HN 0.354 nan 8.230 nan 0.000 0.437 433 I N -0.976 119.435 120.570 -0.265 0.000 2.584 433 I HA -0.066 4.104 4.170 0.001 0.000 0.255 433 I C 2.531 178.553 176.117 -0.158 0.000 1.145 433 I CA 1.006 62.167 61.300 -0.231 0.000 1.462 433 I CB -0.639 37.133 38.000 -0.380 0.000 1.102 433 I HN 0.197 nan 8.210 nan 0.000 0.433 434 G N 0.732 109.432 108.800 -0.166 0.000 2.396 434 G HA2 -0.115 3.846 3.960 0.001 0.000 0.214 434 G HA3 -0.115 3.846 3.960 0.001 0.000 0.214 434 G C 0.673 175.518 174.900 -0.091 0.000 1.166 434 G CA 0.134 45.158 45.100 -0.127 0.000 0.793 434 G HN 0.422 nan 8.290 nan 0.000 0.533 435 C N 2.283 121.523 119.300 -0.099 0.000 2.158 435 C HA 0.421 4.881 4.460 0.001 0.000 0.350 435 C C 1.299 176.260 174.990 -0.047 0.000 1.064 435 C CA -1.148 57.835 59.018 -0.059 0.000 1.507 435 C CB -0.553 27.152 27.740 -0.059 0.000 1.934 435 C HN 0.580 nan 8.230 nan 0.000 0.479 436 K N 0.821 121.204 120.400 -0.027 0.000 2.387 436 K HA 0.112 4.433 4.320 0.001 0.000 0.198 436 K C 0.939 177.542 176.600 0.006 0.000 1.022 436 K CA 0.180 56.457 56.287 -0.017 0.000 1.128 436 K CB 0.190 32.681 32.500 -0.015 0.000 0.853 436 K HN 0.527 nan 8.250 nan 0.000 0.523 437 K N 0.808 121.220 120.400 0.020 0.000 2.374 437 K HA 0.123 4.443 4.320 0.001 0.000 0.196 437 K C -0.018 176.621 176.600 0.064 0.000 1.023 437 K CA -0.347 55.965 56.287 0.042 0.000 1.103 437 K CB 0.169 32.698 32.500 0.049 0.000 0.848 437 K HN 0.026 nan 8.250 nan 0.000 0.528 438 L N 1.809 123.067 121.223 0.059 0.000 2.584 438 L HA -0.074 4.267 4.340 0.001 0.000 0.272 438 L C 1.069 178.010 176.870 0.118 0.000 1.195 438 L CA 0.900 55.799 54.840 0.098 0.000 0.920 438 L CB 0.257 42.351 42.059 0.057 0.000 1.173 438 L HN 0.041 nan 8.230 nan 0.000 0.489 439 R N 3.197 123.799 120.500 0.170 0.000 2.257 439 R HA 0.283 4.624 4.340 0.001 0.000 0.195 439 R C -0.227 176.239 176.300 0.277 0.000 0.921 439 R CA -0.055 56.157 56.100 0.186 0.000 1.069 439 R CB 0.518 30.915 30.300 0.162 0.000 1.115 439 R HN 0.528 nan 8.270 nan 0.000 0.571 440 R N 0.425 121.136 120.500 0.353 0.000 2.621 440 R HA 0.389 4.730 4.340 0.001 0.000 0.292 440 R C -1.540 175.069 176.300 0.515 0.000 0.969 440 R CA -0.645 55.784 56.100 0.548 0.000 0.887 440 R CB 2.167 32.860 30.300 0.655 0.000 1.180 440 R HN -0.127 nan 8.270 nan 0.000 0.450 441 F N 1.405 121.459 119.950 0.173 0.000 2.588 441 F HA 0.636 5.164 4.527 0.001 0.000 0.318 441 F C -1.716 174.001 175.800 -0.139 0.000 1.155 441 F CA -0.451 57.605 58.000 0.094 0.000 0.967 441 F CB 1.889 40.945 39.000 0.093 0.000 1.236 441 F HN 0.717 nan 8.300 nan 0.000 0.455 442 A N 5.300 127.739 122.820 -0.635 0.000 2.371 442 A HA 0.830 5.150 4.320 0.001 0.000 0.311 442 A C -2.293 174.982 177.584 -0.516 0.000 1.068 442 A CA -0.499 51.188 52.037 -0.583 0.000 0.744 442 A CB 1.073 19.899 19.000 -0.289 0.000 1.239 442 A HN 0.720 nan 8.150 nan 0.000 0.435 443 F N 2.046 121.677 119.950 -0.531 0.000 2.828 443 F HA 0.438 4.966 4.527 0.001 0.000 0.355 443 F C -1.545 174.200 175.800 -0.091 0.000 1.200 443 F CA -0.481 57.335 58.000 -0.307 0.000 1.062 443 F CB 1.285 40.120 39.000 -0.274 0.000 1.351 443 F HN 0.581 nan 8.300 nan 0.000 0.504 444 Y N 6.813 126.917 120.300 -0.327 0.000 2.345 444 Y HA 0.696 5.247 4.550 0.001 0.000 0.331 444 Y C -1.114 174.667 175.900 -0.199 0.000 0.959 444 Y CA -0.529 57.458 58.100 -0.189 0.000 1.204 444 Y CB 0.758 39.117 38.460 -0.168 0.000 1.135 444 Y HN 0.478 nan 8.280 nan 0.000 0.477 445 L N 3.891 125.062 121.223 -0.086 0.000 2.422 445 L HA 0.644 4.984 4.340 0.001 0.000 0.263 445 L C -0.135 176.713 176.870 -0.037 0.000 1.110 445 L CA -1.410 53.391 54.840 -0.065 0.000 1.065 445 L CB 1.142 43.136 42.059 -0.108 0.000 1.701 445 L HN 0.412 nan 8.230 nan 0.000 0.548 446 R N -0.608 119.821 120.500 -0.119 0.000 2.810 446 R HA 0.202 4.542 4.340 0.001 0.000 0.245 446 R C 0.735 176.920 176.300 -0.191 0.000 1.168 446 R CA -0.609 55.322 56.100 -0.282 0.000 1.096 446 R CB 1.118 31.300 30.300 -0.196 0.000 1.259 446 R HN 0.458 nan 8.270 nan 0.000 0.518 447 Q N 0.651 120.313 119.800 -0.229 0.000 2.002 447 Q HA -0.088 4.252 4.340 0.001 0.000 0.204 447 Q C 1.614 177.597 176.000 -0.029 0.000 0.988 447 Q CA 2.399 58.154 55.803 -0.080 0.000 0.843 447 Q CB -0.869 27.825 28.738 -0.073 0.000 0.908 447 Q HN 0.918 nan 8.270 nan 0.000 0.420 448 G N -0.423 108.355 108.800 -0.036 0.000 2.653 448 G HA2 -0.084 3.877 3.960 0.001 0.000 0.212 448 G HA3 -0.084 3.877 3.960 0.001 0.000 0.212 448 G C 1.288 176.196 174.900 0.013 0.000 1.138 448 G CA 0.718 45.813 45.100 -0.009 0.000 0.782 448 G HN 0.495 nan 8.290 nan 0.000 0.535 449 G N -0.260 108.548 108.800 0.014 0.000 2.442 449 G HA2 0.081 4.041 3.960 0.001 0.000 0.219 449 G HA3 0.081 4.041 3.960 0.001 0.000 0.219 449 G C 0.309 175.269 174.900 0.100 0.000 1.141 449 G CA 0.604 45.730 45.100 0.042 0.000 0.763 449 G HN 0.425 nan 8.290 nan 0.000 0.554 450 L N 0.364 121.647 121.223 0.099 0.000 2.493 450 L HA 0.470 4.811 4.340 0.001 0.000 0.265 450 L C 0.133 177.047 176.870 0.073 0.000 0.954 450 L CA -0.481 54.431 54.840 0.120 0.000 0.844 450 L CB 2.176 44.347 42.059 0.187 0.000 1.302 450 L HN 0.156 nan 8.230 nan 0.000 0.405 451 T N -1.141 113.440 114.554 0.045 0.000 2.902 451 T HA 0.297 4.648 4.350 0.001 0.000 0.280 451 T C 0.630 175.329 174.700 -0.002 0.000 0.992 451 T CA -0.456 61.655 62.100 0.018 0.000 1.015 451 T CB 0.909 69.775 68.868 -0.003 0.000 1.044 451 T HN 0.571 nan 8.240 nan 0.000 0.520 452 D N 0.309 120.711 120.400 0.004 0.000 2.190 452 D HA -0.115 4.526 4.640 0.001 0.000 0.200 452 D C 1.917 178.167 176.300 -0.084 0.000 0.992 452 D CA 0.628 54.626 54.000 -0.003 0.000 0.854 452 D CB -0.245 40.561 40.800 0.011 0.000 0.936 452 D HN 0.432 nan 8.370 nan 0.000 0.462 453 L N 0.643 121.778 121.223 -0.146 0.000 2.017 453 L HA -0.109 4.232 4.340 0.001 0.000 0.208 453 L C 2.160 178.657 176.870 -0.621 0.000 1.073 453 L CA 2.127 56.770 54.840 -0.330 0.000 0.745 453 L CB -0.980 40.907 42.059 -0.286 0.000 0.894 453 L HN 0.108 nan 8.230 nan 0.000 0.432 454 G N -0.036 108.527 108.800 -0.396 0.000 2.421 454 G HA2 -0.271 3.690 3.960 0.001 0.000 0.216 454 G HA3 -0.271 3.690 3.960 0.001 0.000 0.216 454 G C 1.687 176.559 174.900 -0.047 0.000 1.171 454 G CA 0.717 45.672 45.100 -0.242 0.000 0.775 454 G HN 0.391 nan 8.290 nan 0.000 0.543 455 L N 1.390 122.607 121.223 -0.009 0.000 2.013 455 L HA -0.200 4.141 4.340 0.001 0.000 0.212 455 L C 3.297 180.250 176.870 0.139 0.000 1.073 455 L CA 2.165 57.044 54.840 0.065 0.000 0.753 455 L CB -0.327 41.760 42.059 0.046 0.000 0.890 455 L HN 0.472 nan 8.230 nan 0.000 0.432 456 S N -1.652 114.082 115.700 0.056 0.000 2.442 456 S HA -0.229 4.242 4.470 0.001 0.000 0.236 456 S C 1.878 176.586 174.600 0.179 0.000 1.007 456 S CA 0.773 59.030 58.200 0.095 0.000 0.965 456 S CB -0.812 62.392 63.200 0.007 0.000 0.773 456 S HN 0.553 nan 8.310 nan 0.000 0.504 457 Y N 1.231 121.599 120.300 0.113 0.000 2.224 457 Y HA -0.055 4.496 4.550 0.001 0.000 0.289 457 Y C 2.402 178.403 175.900 0.169 0.000 1.146 457 Y CA 0.945 59.152 58.100 0.179 0.000 1.182 457 Y CB -0.287 38.260 38.460 0.145 0.000 0.983 457 Y HN 0.293 nan 8.280 nan 0.000 0.524 458 I N -0.452 120.284 120.570 0.278 0.000 2.179 458 I HA -0.265 3.906 4.170 0.001 0.000 0.242 458 I C 2.724 178.930 176.117 0.148 0.000 1.088 458 I CA 1.401 62.803 61.300 0.169 0.000 1.357 458 I CB -0.910 37.225 38.000 0.227 0.000 1.051 458 I HN 0.229 nan 8.210 nan 0.000 0.409 459 G N -0.212 108.700 108.800 0.188 0.000 2.476 459 G HA2 -0.324 3.636 3.960 0.001 0.000 0.218 459 G HA3 -0.324 3.636 3.960 0.001 0.000 0.218 459 G C 1.587 176.397 174.900 -0.151 0.000 1.164 459 G CA 0.713 45.735 45.100 -0.130 0.000 0.768 459 G HN 0.390 nan 8.290 nan 0.000 0.560 460 Q N -1.053 118.673 119.800 -0.123 0.000 2.167 460 Q HA -0.031 4.309 4.340 0.001 0.000 0.202 460 Q C 0.906 176.596 176.000 -0.517 0.000 0.970 460 Q CA 0.902 56.495 55.803 -0.351 0.000 0.855 460 Q CB -0.015 28.459 28.738 -0.440 0.000 0.911 460 Q HN 0.696 nan 8.270 nan 0.000 0.438 461 Y N -0.775 119.479 120.300 -0.077 0.000 2.720 461 Y HA 0.221 4.772 4.550 0.001 0.000 0.268 461 Y C -0.194 175.617 175.900 -0.147 0.000 1.142 461 Y CA -0.537 57.493 58.100 -0.117 0.000 1.193 461 Y CB 1.069 39.441 38.460 -0.148 0.000 1.176 461 Y HN -0.021 nan 8.280 nan 0.000 0.542 462 S N -0.658 115.015 115.700 -0.046 0.000 2.060 462 S HA 0.263 4.734 4.470 0.001 0.000 0.156 462 S C -2.225 172.343 174.600 -0.054 0.000 1.690 462 S CA -1.210 56.944 58.200 -0.075 0.000 1.238 462 S CB 0.826 63.956 63.200 -0.117 0.000 1.150 462 S HN 0.065 nan 8.310 nan 0.000 0.437 463 P HA 0.027 nan 4.420 nan 0.000 0.222 463 P C 0.347 177.644 177.300 -0.005 0.000 1.153 463 P CA 0.837 63.917 63.100 -0.032 0.000 0.798 463 P CB 0.130 31.814 31.700 -0.026 0.000 0.796 464 N N -0.718 117.987 118.700 0.009 0.000 2.220 464 N HA 0.058 4.799 4.740 0.001 0.000 0.195 464 N C 0.146 175.697 175.510 0.069 0.000 1.123 464 N CA 0.084 53.156 53.050 0.037 0.000 0.874 464 N CB 0.463 38.973 38.487 0.039 0.000 0.995 464 N HN -0.006 nan 8.380 nan 0.000 0.498 465 V N 1.939 121.894 119.914 0.068 0.000 2.479 465 V HA 0.074 4.195 4.120 0.001 0.000 0.281 465 V C 1.356 177.538 176.094 0.146 0.000 1.031 465 V CA 0.256 62.630 62.300 0.124 0.000 1.038 465 V CB 1.090 32.982 31.823 0.115 0.000 0.981 465 V HN 0.043 nan 8.190 nan 0.000 0.478 466 R N 2.988 123.608 120.500 0.200 0.000 2.156 466 R HA 0.131 4.472 4.340 0.001 0.000 0.207 466 R C 0.021 176.511 176.300 0.317 0.000 1.040 466 R CA 0.273 56.504 56.100 0.219 0.000 1.013 466 R CB 0.425 30.844 30.300 0.199 0.000 0.931 466 R HN 0.746 nan 8.270 nan 0.000 0.465 467 W N 0.615 122.004 121.300 0.148 0.000 2.739 467 W HA 0.560 5.221 4.660 0.001 0.000 0.331 467 W C -1.599 175.043 176.519 0.206 0.000 1.049 467 W CA -0.806 56.635 57.345 0.159 0.000 1.234 467 W CB 1.126 30.654 29.460 0.113 0.000 1.404 467 W HN -0.255 nan 8.180 nan 0.000 0.477 468 M N 6.936 126.136 119.600 -0.667 0.000 2.327 468 M HA 0.370 4.850 4.480 0.001 0.000 0.298 468 M C -1.568 174.177 176.300 -0.925 0.000 1.065 468 M CA -1.219 53.654 55.300 -0.711 0.000 0.916 468 M CB 2.002 34.564 32.600 -0.062 0.000 1.630 468 M HN 0.389 nan 8.290 nan 0.000 0.442 469 L N 5.444 126.109 121.223 -0.929 0.000 2.298 469 L HA 0.628 4.968 4.340 0.001 0.000 0.284 469 L C -1.831 174.916 176.870 -0.205 0.000 1.013 469 L CA -0.219 54.390 54.840 -0.386 0.000 0.824 469 L CB 0.939 42.877 42.059 -0.201 0.000 1.221 469 L HN 0.643 nan 8.230 nan 0.000 0.418 470 L N 5.745 126.903 121.223 -0.107 0.000 2.287 470 L HA 0.577 4.917 4.340 0.001 0.000 0.287 470 L C 1.122 177.884 176.870 -0.179 0.000 1.022 470 L CA -0.467 54.318 54.840 -0.093 0.000 0.814 470 L CB 1.522 43.515 42.059 -0.110 0.000 1.217 470 L HN 0.790 nan 8.230 nan 0.000 0.420 471 G N 1.657 110.303 108.800 -0.257 0.000 2.679 471 G HA2 -0.134 3.827 3.960 0.001 0.000 0.185 471 G HA3 -0.134 3.827 3.960 0.001 0.000 0.185 471 G C 0.042 174.551 174.900 -0.652 0.000 1.656 471 G CA 0.392 45.027 45.100 -0.776 0.000 0.892 471 G HN 0.545 nan 8.290 nan 0.000 0.389 472 Y N 0.851 120.870 120.300 -0.468 0.000 2.833 472 Y HA 0.363 4.914 4.550 0.001 0.000 0.339 472 Y C 1.042 176.826 175.900 -0.193 0.000 1.032 472 Y CA -0.995 56.912 58.100 -0.322 0.000 1.450 472 Y CB 0.077 38.375 38.460 -0.270 0.000 1.296 472 Y HN 0.246 nan 8.280 nan 0.000 0.535 473 V N -1.077 118.809 119.914 -0.047 0.000 3.237 473 V HA 0.814 4.935 4.120 0.001 0.000 0.305 473 V C 0.787 176.903 176.094 0.036 0.000 1.096 473 V CA -0.066 62.261 62.300 0.045 0.000 1.130 473 V CB 0.471 32.345 31.823 0.085 0.000 1.048 473 V HN 0.628 nan 8.190 nan 0.000 0.484 474 G N 2.846 111.705 108.800 0.097 0.000 2.814 474 G HA2 -0.141 3.820 3.960 0.001 0.000 0.677 474 G HA3 -0.141 3.820 3.960 0.001 0.000 0.677 474 G C -0.204 174.732 174.900 0.061 0.000 1.429 474 G CA 0.362 45.546 45.100 0.141 0.000 0.868 474 G HN 1.079 nan 8.290 nan 0.000 0.553 475 E N -0.639 119.614 120.200 0.088 0.000 2.414 475 E HA 0.324 4.675 4.350 0.001 0.000 0.208 475 E C 1.113 177.753 176.600 0.068 0.000 0.820 475 E CA 0.575 57.002 56.400 0.044 0.000 1.143 475 E CB 0.924 30.644 29.700 0.034 0.000 1.150 475 E HN 1.064 nan 8.360 nan 0.000 0.540 476 S N -0.058 115.731 115.700 0.148 0.000 2.671 476 S HA 0.198 4.669 4.470 0.001 0.000 0.277 476 S C -0.425 174.351 174.600 0.293 0.000 1.165 476 S CA -0.679 57.627 58.200 0.177 0.000 0.822 476 S CB 1.415 64.672 63.200 0.096 0.000 1.150 476 S HN -0.154 nan 8.310 nan 0.000 0.479 477 D N 0.973 121.517 120.400 0.239 0.000 2.221 477 D HA -0.058 4.583 4.640 0.001 0.000 0.204 477 D C 1.562 177.854 176.300 -0.014 0.000 0.982 477 D CA 1.136 55.205 54.000 0.116 0.000 0.857 477 D CB -0.128 40.721 40.800 0.082 0.000 0.934 477 D HN 0.571 nan 8.370 nan 0.000 0.475 478 E N 0.428 120.645 120.200 0.028 0.000 2.114 478 E HA -0.193 4.158 4.350 0.001 0.000 0.199 478 E C 2.291 178.880 176.600 -0.018 0.000 1.008 478 E CA 1.414 57.815 56.400 0.002 0.000 0.810 478 E CB -0.457 29.252 29.700 0.016 0.000 0.739 478 E HN 0.470 nan 8.360 nan 0.000 0.456 479 G N 1.309 110.114 108.800 0.007 0.000 2.404 479 G HA2 -0.228 3.732 3.960 0.001 0.000 0.215 479 G HA3 -0.228 3.732 3.960 0.001 0.000 0.215 479 G C 1.612 176.455 174.900 -0.095 0.000 1.174 479 G CA 0.656 45.756 45.100 0.000 0.000 0.780 479 G HN 0.204 nan 8.290 nan 0.000 0.537 480 L N 0.367 121.369 121.223 -0.368 0.000 2.042 480 L HA 0.052 4.392 4.340 0.001 0.000 0.210 480 L C 2.670 179.447 176.870 -0.154 0.000 1.076 480 L CA 1.953 56.471 54.840 -0.538 0.000 0.749 480 L CB -0.340 40.989 42.059 -1.216 0.000 0.893 480 L HN 0.261 nan 8.230 nan 0.000 0.432 481 M N -1.265 118.252 119.600 -0.138 0.000 2.117 481 M HA -0.180 4.301 4.480 0.001 0.000 0.262 481 M C 2.067 178.351 176.300 -0.027 0.000 1.065 481 M CA 1.662 56.922 55.300 -0.067 0.000 1.114 481 M CB -0.269 32.294 32.600 -0.061 0.000 1.361 481 M HN 0.280 nan 8.290 nan 0.000 0.408 482 E N 0.048 120.240 120.200 -0.012 0.000 2.077 482 E HA -0.218 4.133 4.350 0.001 0.000 0.193 482 E C 1.719 178.337 176.600 0.031 0.000 0.989 482 E CA 1.324 57.723 56.400 -0.000 0.000 0.800 482 E CB -0.753 28.946 29.700 -0.002 0.000 0.746 482 E HN 0.596 nan 8.360 nan 0.000 0.452 483 F N 2.143 122.038 119.950 -0.092 0.000 2.095 483 F HA -0.252 4.276 4.527 0.001 0.000 0.298 483 F C 2.524 178.278 175.800 -0.076 0.000 1.104 483 F CA 2.093 60.047 58.000 -0.077 0.000 1.232 483 F CB -0.522 38.425 39.000 -0.088 0.000 0.987 483 F HN 0.022 nan 8.300 nan 0.000 0.475 484 S N 1.215 116.871 115.700 -0.073 0.000 2.469 484 S HA -0.227 4.244 4.470 0.001 0.000 0.238 484 S C 1.865 176.343 174.600 -0.202 0.000 0.998 484 S CA 0.861 58.952 58.200 -0.183 0.000 0.957 484 S CB -0.956 62.213 63.200 -0.052 0.000 0.764 484 S HN 0.719 nan 8.310 nan 0.000 0.514 485 R N 0.562 120.964 120.500 -0.163 0.000 2.313 485 R HA 0.375 4.716 4.340 0.001 0.000 0.199 485 R C 1.196 177.392 176.300 -0.172 0.000 0.958 485 R CA 0.444 56.461 56.100 -0.139 0.000 1.047 485 R CB -0.367 29.875 30.300 -0.096 0.000 0.955 485 R HN 0.385 nan 8.270 nan 0.000 0.481 486 G N 0.221 108.869 108.800 -0.255 0.000 3.099 486 G HA2 0.273 4.234 3.960 0.001 0.000 0.151 486 G HA3 0.273 4.234 3.960 0.001 0.000 0.151 486 G C -0.582 174.143 174.900 -0.293 0.000 1.265 486 G CA -0.185 44.760 45.100 -0.259 0.000 0.981 486 G HN 0.305 nan 8.290 nan 0.000 0.601 487 C N 0.725 119.851 119.300 -0.290 0.000 3.690 487 C HA -0.091 4.370 4.460 0.001 0.000 0.295 487 C C -0.769 174.137 174.990 -0.141 0.000 1.283 487 C CA -0.301 58.573 59.018 -0.240 0.000 2.212 487 C CB -2.034 25.472 27.740 -0.389 0.000 1.407 487 C HN 0.542 nan 8.230 nan 0.000 0.595 488 P HA -0.128 nan 4.420 nan 0.000 0.215 488 P C 0.815 178.101 177.300 -0.023 0.000 1.157 488 P CA 1.778 64.841 63.100 -0.061 0.000 0.874 488 P CB 0.036 31.705 31.700 -0.051 0.000 0.790 489 N N -1.482 117.216 118.700 -0.003 0.000 2.234 489 N HA 0.137 4.877 4.740 0.001 0.000 0.227 489 N C -0.194 175.359 175.510 0.072 0.000 1.151 489 N CA -0.337 52.736 53.050 0.038 0.000 0.865 489 N CB 0.208 38.722 38.487 0.045 0.000 1.066 489 N HN 0.047 nan 8.380 nan 0.000 0.515 490 L N 1.764 123.022 121.223 0.058 0.000 2.477 490 L HA 0.005 4.346 4.340 0.001 0.000 0.272 490 L C 0.833 177.796 176.870 0.155 0.000 1.157 490 L CA 0.784 55.689 54.840 0.108 0.000 0.889 490 L CB 0.872 42.974 42.059 0.072 0.000 1.158 490 L HN 0.333 nan 8.230 nan 0.000 0.473 491 Q N 3.194 123.118 119.800 0.208 0.000 2.462 491 Q HA 0.091 4.432 4.340 0.001 0.000 0.224 491 Q C 0.064 176.258 176.000 0.323 0.000 0.911 491 Q CA 0.449 56.401 55.803 0.248 0.000 0.925 491 Q CB 0.815 29.688 28.738 0.225 0.000 1.063 491 Q HN 0.478 nan 8.270 nan 0.000 0.572 492 K N 0.969 121.580 120.400 0.353 0.000 2.292 492 K HA 0.417 4.738 4.320 0.001 0.000 0.257 492 K C -1.873 174.971 176.600 0.408 0.000 0.940 492 K CA -0.534 56.021 56.287 0.447 0.000 0.811 492 K CB 1.336 34.098 32.500 0.436 0.000 1.120 492 K HN -0.084 nan 8.250 nan 0.000 0.428 493 L N 3.629 125.099 121.223 0.413 0.000 2.372 493 L HA 0.420 4.761 4.340 0.001 0.000 0.274 493 L C -1.538 175.531 176.870 0.331 0.000 0.988 493 L CA 0.009 55.018 54.840 0.283 0.000 0.833 493 L CB 1.766 43.981 42.059 0.260 0.000 1.236 493 L HN 0.680 nan 8.230 nan 0.000 0.410 494 E N 6.461 126.820 120.200 0.265 0.000 2.155 494 E HA 0.593 4.943 4.350 0.001 0.000 0.264 494 E C -1.295 175.421 176.600 0.194 0.000 0.886 494 E CA -0.386 56.255 56.400 0.402 0.000 0.752 494 E CB 1.735 31.743 29.700 0.513 0.000 1.133 494 E HN 0.589 nan 8.360 nan 0.000 0.414 495 M N 3.126 122.787 119.600 0.102 0.000 2.326 495 M HA 0.511 4.992 4.480 0.001 0.000 0.306 495 M C -0.481 175.750 176.300 -0.116 0.000 1.054 495 M CA -0.840 54.442 55.300 -0.030 0.000 0.922 495 M CB 2.453 35.021 32.600 -0.053 0.000 1.632 495 M HN 0.347 nan 8.290 nan 0.000 0.436 496 R N 1.020 121.430 120.500 -0.151 0.000 2.795 496 R HA 0.802 5.143 4.340 0.001 0.000 0.275 496 R C 0.047 176.051 176.300 -0.493 0.000 0.981 496 R CA -0.086 55.887 56.100 -0.212 0.000 0.917 496 R CB 1.983 32.286 30.300 0.005 0.000 1.202 496 R HN 0.945 nan 8.270 nan 0.000 0.469 497 G N 1.163 109.666 108.800 -0.495 0.000 2.298 497 G HA2 -0.239 3.722 3.960 0.001 0.000 0.287 497 G HA3 -0.239 3.722 3.960 0.001 0.000 0.287 497 G C -0.403 173.945 174.900 -0.920 0.000 1.075 497 G CA 0.227 44.798 45.100 -0.882 0.000 0.960 497 G HN 0.625 nan 8.290 nan 0.000 0.502 498 C N -1.013 117.967 119.300 -0.535 0.000 2.562 498 C HA 0.646 5.107 4.460 0.001 0.000 0.332 498 C C 1.940 176.619 174.990 -0.519 0.000 1.201 498 C CA -0.092 58.563 59.018 -0.606 0.000 1.803 498 C CB 1.362 28.711 27.740 -0.651 0.000 2.328 498 C HN 1.092 nan 8.230 nan 0.000 0.500 499 C N -0.958 117.906 119.300 -0.727 0.000 2.693 499 C HA 0.441 4.902 4.460 0.001 0.000 0.286 499 C C 0.375 175.205 174.990 -0.267 0.000 1.277 499 C CA -0.652 58.125 59.018 -0.402 0.000 1.705 499 C CB -2.536 25.037 27.740 -0.278 0.000 1.879 499 C HN 0.647 nan 8.230 nan 0.000 0.607 500 F N 2.602 122.548 119.950 -0.005 0.000 2.378 500 F HA 0.468 4.996 4.527 0.001 0.000 0.319 500 F C 1.204 177.036 175.800 0.052 0.000 1.155 500 F CA -0.354 57.651 58.000 0.009 0.000 1.157 500 F CB 0.731 39.723 39.000 -0.013 0.000 1.252 500 F HN 0.198 nan 8.300 nan 0.000 0.550 501 S N -0.429 115.428 115.700 0.262 0.000 2.690 501 S HA 0.293 4.764 4.470 0.001 0.000 0.291 501 S C 0.567 175.274 174.600 0.179 0.000 1.138 501 S CA -0.847 57.463 58.200 0.183 0.000 1.013 501 S CB 1.630 64.901 63.200 0.118 0.000 1.053 501 S HN 0.721 nan 8.310 nan 0.000 0.539 502 E N 1.156 121.469 120.200 0.189 0.000 2.033 502 E HA -0.235 4.116 4.350 0.001 0.000 0.199 502 E C 2.270 178.913 176.600 0.071 0.000 1.011 502 E CA 1.502 57.990 56.400 0.147 0.000 0.815 502 E CB -0.254 29.541 29.700 0.159 0.000 0.755 502 E HN 0.697 nan 8.360 nan 0.000 0.451 503 R N 1.366 121.903 120.500 0.061 0.000 2.193 503 R HA -0.048 4.293 4.340 0.001 0.000 0.229 503 R C 1.890 178.200 176.300 0.016 0.000 1.110 503 R CA 1.433 57.552 56.100 0.032 0.000 0.988 503 R CB -0.365 29.951 30.300 0.027 0.000 0.871 503 R HN 0.145 nan 8.270 nan 0.000 0.458 504 A N 2.142 124.979 122.820 0.029 0.000 1.872 504 A HA 0.025 4.346 4.320 0.001 0.000 0.214 504 A C 2.409 179.969 177.584 -0.039 0.000 1.187 504 A CA 1.050 53.085 52.037 -0.004 0.000 0.614 504 A CB -0.242 18.774 19.000 0.028 0.000 0.826 504 A HN 0.229 nan 8.150 nan 0.000 0.442 505 I N 0.109 120.673 120.570 -0.010 0.000 2.113 505 I HA -0.281 3.890 4.170 0.001 0.000 0.238 505 I C 3.020 179.121 176.117 -0.027 0.000 1.070 505 I CA 1.616 62.899 61.300 -0.029 0.000 1.332 505 I CB -1.477 36.502 38.000 -0.035 0.000 1.044 505 I HN 0.365 nan 8.210 nan 0.000 0.402 506 A N 1.050 123.860 122.820 -0.016 0.000 1.948 506 A HA -0.198 4.122 4.320 0.001 0.000 0.220 506 A C 2.574 180.132 177.584 -0.043 0.000 1.177 506 A CA 2.334 54.360 52.037 -0.018 0.000 0.636 506 A CB -0.812 18.187 19.000 -0.002 0.000 0.815 506 A HN 0.493 nan 8.150 nan 0.000 0.449 507 A N -0.298 122.499 122.820 -0.039 0.000 1.877 507 A HA 0.172 4.492 4.320 0.001 0.000 0.216 507 A C 2.519 180.067 177.584 -0.060 0.000 1.186 507 A CA 2.118 54.127 52.037 -0.048 0.000 0.620 507 A CB -1.041 17.935 19.000 -0.040 0.000 0.822 507 A HN 1.124 nan 8.150 nan 0.000 0.443 508 A N -0.710 122.076 122.820 -0.056 0.000 1.969 508 A HA 0.047 4.368 4.320 0.001 0.000 0.218 508 A C 2.195 179.751 177.584 -0.046 0.000 1.169 508 A CA 1.607 53.617 52.037 -0.046 0.000 0.635 508 A CB -0.820 18.160 19.000 -0.032 0.000 0.810 508 A HN 0.361 nan 8.150 nan 0.000 0.445 509 V N -0.114 119.765 119.914 -0.057 0.000 2.343 509 V HA -0.234 3.887 4.120 0.001 0.000 0.247 509 V C 2.755 178.744 176.094 -0.176 0.000 1.051 509 V CA 2.498 64.736 62.300 -0.104 0.000 1.036 509 V CB -1.114 30.632 31.823 -0.129 0.000 0.654 509 V HN 0.630 nan 8.190 nan 0.000 0.451 510 T N -0.776 113.684 114.554 -0.157 0.000 2.746 510 T HA -0.226 4.125 4.350 0.001 0.000 0.267 510 T C 1.970 176.605 174.700 -0.108 0.000 1.039 510 T CA 1.525 63.535 62.100 -0.150 0.000 1.142 510 T CB -0.194 68.607 68.868 -0.111 0.000 0.866 510 T HN 0.376 nan 8.240 nan 0.000 0.444 511 K N 0.274 120.621 120.400 -0.089 0.000 2.148 511 K HA 0.083 4.403 4.320 0.001 0.000 0.204 511 K C 0.289 176.839 176.600 -0.084 0.000 1.050 511 K CA 0.482 56.721 56.287 -0.080 0.000 0.942 511 K CB -0.263 32.191 32.500 -0.078 0.000 0.724 511 K HN 0.302 nan 8.250 nan 0.000 0.446 512 L N 2.505 123.678 121.223 -0.084 0.000 2.369 512 L HA 0.062 4.403 4.340 0.001 0.000 0.279 512 L C -1.381 175.464 176.870 -0.043 0.000 1.108 512 L CA -1.307 53.490 54.840 -0.072 0.000 0.852 512 L CB 0.646 42.676 42.059 -0.048 0.000 1.169 512 L HN 0.075 nan 8.230 nan 0.000 0.452 513 P HA -0.100 nan 4.420 nan 0.000 0.216 513 P C 1.068 178.389 177.300 0.034 0.000 1.153 513 P CA 1.010 64.105 63.100 -0.009 0.000 0.848 513 P CB 0.447 32.135 31.700 -0.019 0.000 0.787 514 S N -1.090 114.640 115.700 0.050 0.000 2.511 514 S HA 0.130 4.600 4.470 0.001 0.000 0.214 514 S C 0.761 175.462 174.600 0.168 0.000 0.997 514 S CA -0.495 57.763 58.200 0.098 0.000 0.908 514 S CB -0.477 62.772 63.200 0.082 0.000 0.803 514 S HN -0.002 nan 8.310 nan 0.000 0.504 515 L N 3.655 124.974 121.223 0.160 0.000 2.559 515 L HA 0.109 4.450 4.340 0.001 0.000 0.274 515 L C 0.950 178.042 176.870 0.369 0.000 1.205 515 L CA 0.658 55.638 54.840 0.234 0.000 0.907 515 L CB 0.455 42.613 42.059 0.164 0.000 1.153 515 L HN 0.202 nan 8.230 nan 0.000 0.490 516 R N 3.135 123.924 120.500 0.482 0.000 2.531 516 R HA 0.239 4.579 4.340 0.001 0.000 0.316 516 R C -0.819 175.877 176.300 0.660 0.000 0.955 516 R CA -0.488 56.011 56.100 0.666 0.000 1.120 516 R CB 0.125 30.785 30.300 0.601 0.000 1.361 516 R HN 0.500 nan 8.270 nan 0.000 0.534 517 Y N 0.662 121.217 120.300 0.425 0.000 2.399 517 Y HA 0.516 5.067 4.550 0.001 0.000 0.327 517 Y C -2.177 173.924 175.900 0.334 0.000 1.111 517 Y CA -1.445 56.857 58.100 0.338 0.000 1.047 517 Y CB 2.135 40.768 38.460 0.289 0.000 1.259 517 Y HN 0.049 nan 8.280 nan 0.000 0.434 518 L N 7.571 128.865 121.223 0.119 0.000 2.439 518 L HA 0.565 4.905 4.340 0.001 0.000 0.270 518 L C -2.106 174.807 176.870 0.071 0.000 0.972 518 L CA -0.504 54.451 54.840 0.192 0.000 0.836 518 L CB 1.333 43.520 42.059 0.212 0.000 1.255 518 L HN 0.709 nan 8.230 nan 0.000 0.404 519 W N 7.541 128.857 121.300 0.026 0.000 2.739 519 W HA 0.801 5.462 4.660 0.001 0.000 0.331 519 W C -2.309 174.200 176.519 -0.018 0.000 1.049 519 W CA -0.831 56.500 57.345 -0.023 0.000 1.234 519 W CB 1.785 31.273 29.460 0.047 0.000 1.404 519 W HN 0.363 nan 8.180 nan 0.000 0.477 520 V N 5.277 124.515 119.914 -1.125 0.000 2.733 520 V HA 0.293 4.414 4.120 0.001 0.000 0.306 520 V C -0.792 174.621 176.094 -1.135 0.000 1.084 520 V CA -0.657 61.079 62.300 -0.940 0.000 0.905 520 V CB 1.962 33.479 31.823 -0.511 0.000 1.010 520 V HN 0.611 nan 8.190 nan 0.000 0.424 521 Q N 2.282 121.606 119.800 -0.794 0.000 2.321 521 Q HA 0.635 4.976 4.340 0.001 0.000 0.270 521 Q C -0.088 175.861 176.000 -0.086 0.000 1.032 521 Q CA 0.114 55.697 55.803 -0.366 0.000 0.784 521 Q CB 2.010 30.560 28.738 -0.313 0.000 1.264 521 Q HN 1.394 nan 8.270 nan 0.000 0.448 522 G N 3.334 112.204 108.800 0.116 0.000 3.405 522 G HA2 -0.149 3.812 3.960 0.001 0.000 0.676 522 G HA3 -0.149 3.812 3.960 0.001 0.000 0.676 522 G C -1.452 173.527 174.900 0.131 0.000 1.039 522 G CA -0.057 45.071 45.100 0.047 0.000 0.855 522 G HN 0.829 nan 8.290 nan 0.000 0.443 523 Y N -1.252 118.989 120.300 -0.099 0.000 2.620 523 Y HA 0.728 5.279 4.550 0.001 0.000 0.331 523 Y C -0.200 175.675 175.900 -0.043 0.000 1.173 523 Y CA -2.074 55.980 58.100 -0.076 0.000 1.076 523 Y CB 0.744 39.174 38.460 -0.050 0.000 1.336 523 Y HN 0.579 nan 8.280 nan 0.000 0.459 524 R N 2.192 122.687 120.500 -0.009 0.000 2.402 524 R HA 0.556 4.896 4.340 0.001 0.000 0.331 524 R C 0.341 176.606 176.300 -0.059 0.000 1.040 524 R CA 0.462 56.523 56.100 -0.065 0.000 0.980 524 R CB 0.424 30.728 30.300 0.008 0.000 0.967 524 R HN 0.854 nan 8.270 nan 0.000 0.440 525 A N 2.734 125.426 122.820 -0.214 0.000 2.768 525 A HA 0.562 4.882 4.320 0.001 0.000 0.239 525 A C -0.075 177.499 177.584 -0.017 0.000 1.794 525 A CA -0.057 51.901 52.037 -0.131 0.000 0.853 525 A CB 0.539 19.386 19.000 -0.256 0.000 1.725 525 A HN 0.715 nan 8.150 nan 0.000 0.648 526 S N -3.497 112.202 115.700 -0.001 0.000 2.596 526 S HA 0.270 4.741 4.470 0.001 0.000 0.305 526 S C 0.026 174.632 174.600 0.010 0.000 1.086 526 S CA 0.136 58.340 58.200 0.006 0.000 0.909 526 S CB 0.310 63.525 63.200 0.024 0.000 1.106 526 S HN 0.788 nan 8.310 nan 0.000 0.450 527 M N 3.094 122.694 119.600 0.001 0.000 2.144 527 M HA -0.064 4.416 4.480 0.001 0.000 0.260 527 M C 2.016 178.324 176.300 0.013 0.000 1.067 527 M CA 2.777 58.079 55.300 0.003 0.000 1.095 527 M CB -1.516 31.084 32.600 -0.001 0.000 1.365 527 M HN 0.967 nan 8.290 nan 0.000 0.406 528 T N -0.575 113.988 114.554 0.015 0.000 2.564 528 T HA -0.172 4.178 4.350 0.001 0.000 0.264 528 T C 1.756 176.472 174.700 0.026 0.000 1.100 528 T CA 2.281 64.392 62.100 0.018 0.000 1.171 528 T CB -1.360 67.520 68.868 0.020 0.000 0.863 528 T HN 0.720 nan 8.240 nan 0.000 0.430 529 G N 0.002 108.824 108.800 0.037 0.000 2.268 529 G HA2 -0.283 3.678 3.960 0.001 0.000 0.240 529 G HA3 -0.283 3.678 3.960 0.001 0.000 0.240 529 G C 0.855 175.784 174.900 0.049 0.000 1.010 529 G CA 0.463 45.593 45.100 0.051 0.000 0.618 529 G HN 0.470 nan 8.290 nan 0.000 0.516 530 Q N 0.546 120.369 119.800 0.037 0.000 2.515 530 Q HA 0.086 4.427 4.340 0.001 0.000 0.212 530 Q C 1.616 177.636 176.000 0.033 0.000 0.970 530 Q CA 1.480 57.302 55.803 0.031 0.000 0.941 530 Q CB -0.066 28.686 28.738 0.023 0.000 0.998 530 Q HN 0.737 nan 8.270 nan 0.000 0.518 531 D N -0.107 120.318 120.400 0.042 0.000 2.183 531 D HA -0.035 4.606 4.640 0.001 0.000 0.205 531 D C 1.792 178.116 176.300 0.040 0.000 0.962 531 D CA 0.287 54.311 54.000 0.041 0.000 0.849 531 D CB 0.048 40.878 40.800 0.051 0.000 0.978 531 D HN 0.107 nan 8.370 nan 0.000 0.488 532 L N 0.278 121.530 121.223 0.048 0.000 2.043 532 L HA -0.212 4.129 4.340 0.001 0.000 0.212 532 L C 2.076 178.971 176.870 0.043 0.000 1.075 532 L CA 0.735 55.599 54.840 0.039 0.000 0.752 532 L CB -0.301 41.780 42.059 0.036 0.000 0.891 532 L HN 0.163 nan 8.230 nan 0.000 0.432 533 M N -0.263 119.361 119.600 0.040 0.000 2.255 533 M HA -0.276 4.204 4.480 0.001 0.000 0.259 533 M C 2.090 178.409 176.300 0.032 0.000 1.071 533 M CA 1.607 56.930 55.300 0.038 0.000 1.074 533 M CB -1.100 31.518 32.600 0.029 0.000 1.384 533 M HN 0.480 nan 8.290 nan 0.000 0.415 534 Q N 0.174 119.986 119.800 0.020 0.000 2.491 534 Q HA -0.075 4.266 4.340 0.001 0.000 0.214 534 Q C 1.185 177.177 176.000 -0.012 0.000 0.970 534 Q CA 0.611 56.417 55.803 0.005 0.000 0.960 534 Q CB -0.503 28.236 28.738 0.000 0.000 0.996 534 Q HN 0.752 nan 8.270 nan 0.000 0.524 535 M N -2.682 116.919 119.600 0.000 0.000 2.313 535 M HA 0.505 4.986 4.480 0.001 0.000 0.273 535 M C 0.342 176.627 176.300 -0.025 0.000 1.049 535 M CA -0.339 54.929 55.300 -0.053 0.000 1.004 535 M CB 0.661 33.226 32.600 -0.058 0.000 1.461 535 M HN 0.043 nan 8.290 nan 0.000 0.514 536 A N 2.603 125.456 122.820 0.055 0.000 2.532 536 A HA 0.263 4.583 4.320 0.001 0.000 0.269 536 A C -0.153 177.464 177.584 0.055 0.000 1.079 536 A CA 0.297 52.390 52.037 0.095 0.000 0.800 536 A CB -0.362 18.675 19.000 0.062 0.000 1.000 536 A HN 0.706 nan 8.150 nan 0.000 0.522 537 R N 2.541 123.099 120.500 0.096 0.000 2.902 537 R HA 0.623 4.964 4.340 0.001 0.000 0.258 537 R C -2.813 173.603 176.300 0.195 0.000 1.071 537 R CA -1.911 54.257 56.100 0.113 0.000 1.024 537 R CB 0.410 30.772 30.300 0.103 0.000 1.184 537 R HN 0.385 nan 8.270 nan 0.000 0.492 538 P HA 0.132 nan 4.420 nan 0.000 0.275 538 P C -0.935 176.551 177.300 0.309 0.000 1.228 538 P CA -0.078 63.073 63.100 0.085 0.000 0.786 538 P CB 0.206 31.914 31.700 0.013 0.000 0.927 539 Y N -2.579 117.872 120.300 0.252 0.000 4.897 539 Y HA -0.216 4.335 4.550 0.001 0.000 0.263 539 Y C 0.191 176.361 175.900 0.449 0.000 0.945 539 Y CA 0.546 58.843 58.100 0.328 0.000 1.858 539 Y CB -1.787 36.872 38.460 0.332 0.000 1.296 539 Y HN 0.499 nan 8.280 nan 0.000 0.490 540 W N 3.845 125.268 121.300 0.205 0.000 2.357 540 W HA 0.386 5.047 4.660 0.001 0.000 0.317 540 W C -0.495 175.928 176.519 -0.160 0.000 1.101 540 W CA -0.524 56.769 57.345 -0.086 0.000 1.380 540 W CB 0.494 29.862 29.460 -0.153 0.000 1.266 540 W HN -0.069 nan 8.180 nan 0.000 0.419 541 N N 5.661 123.957 118.700 -0.673 0.000 2.434 541 N HA 0.258 4.999 4.740 0.001 0.000 0.272 541 N C -0.538 174.431 175.510 -0.902 0.000 1.040 541 N CA -0.279 52.345 53.050 -0.710 0.000 0.956 541 N CB 1.433 39.371 38.487 -0.916 0.000 1.108 541 N HN 0.411 nan 8.380 nan 0.000 0.481 542 I N -1.337 118.933 120.570 -0.499 0.000 2.474 542 I HA 0.593 4.763 4.170 0.001 0.000 0.294 542 I C -0.496 175.518 176.117 -0.171 0.000 1.005 542 I CA -0.355 60.730 61.300 -0.359 0.000 1.113 542 I CB 1.699 39.585 38.000 -0.191 0.000 1.289 542 I HN 0.336 nan 8.210 nan 0.000 0.436 543 E N 5.890 126.042 120.200 -0.080 0.000 2.317 543 E HA 0.660 5.011 4.350 0.001 0.000 0.270 543 E C -1.541 175.102 176.600 0.070 0.000 0.885 543 E CA -0.842 55.580 56.400 0.036 0.000 0.760 543 E CB 2.571 32.365 29.700 0.157 0.000 1.227 543 E HN 0.605 nan 8.360 nan 0.000 0.434 544 L N 3.600 124.874 121.223 0.085 0.000 2.346 544 L HA 0.635 4.975 4.340 0.001 0.000 0.276 544 L C -0.526 176.414 176.870 0.117 0.000 1.006 544 L CA -0.644 54.253 54.840 0.095 0.000 0.817 544 L CB 1.192 43.296 42.059 0.074 0.000 1.272 544 L HN 0.386 nan 8.230 nan 0.000 0.421 545 I N 2.115 122.750 120.570 0.108 0.000 2.934 545 I HA 0.468 4.639 4.170 0.001 0.000 0.306 545 I C -2.180 173.860 176.117 -0.129 0.000 1.110 545 I CA -1.701 59.632 61.300 0.055 0.000 1.019 545 I CB 2.587 40.682 38.000 0.158 0.000 1.227 545 I HN 0.377 nan 8.210 nan 0.000 0.434 546 P HA 0.234 nan 4.420 nan 0.000 0.250 546 P C -0.753 176.411 177.300 -0.227 0.000 1.202 546 P CA -0.163 62.857 63.100 -0.133 0.000 0.722 546 P CB 0.482 32.177 31.700 -0.007 0.000 1.432 547 S N -2.184 113.494 115.700 -0.037 0.000 2.754 547 S HA 0.453 4.924 4.470 0.001 0.000 0.302 547 S C -1.475 173.173 174.600 0.080 0.000 0.922 547 S CA -0.723 57.487 58.200 0.017 0.000 0.822 547 S CB 0.131 63.333 63.200 0.003 0.000 1.020 547 S HN 0.073 nan 8.310 nan 0.000 0.475 548 R N 1.312 121.839 120.500 0.044 0.000 3.142 548 R HA 0.632 4.973 4.340 0.001 0.000 0.260 548 R C -0.589 175.727 176.300 0.027 0.000 1.129 548 R CA -0.741 55.394 56.100 0.059 0.000 0.976 548 R CB 0.555 30.893 30.300 0.064 0.000 1.396 548 R HN 0.916 nan 8.270 nan 0.000 0.434 564 H N 3.155 122.257 119.070 0.053 0.000 2.887 564 H HA 0.325 4.882 4.556 0.001 0.000 0.300 564 H C -2.182 173.183 175.328 0.062 0.000 1.038 564 H CA -1.924 54.177 56.048 0.088 0.000 1.352 564 H CB 1.318 31.146 29.762 0.111 0.000 1.473 564 H HN 0.390 nan 8.280 nan 0.000 0.503 565 P HA -0.005 nan 4.420 nan 0.000 0.271 565 P C -0.010 177.361 177.300 0.119 0.000 1.233 565 P CA -0.399 62.759 63.100 0.097 0.000 0.795 565 P CB 0.694 32.437 31.700 0.071 0.000 0.936 566 A N 1.251 124.116 122.820 0.074 0.000 2.498 566 A HA 0.100 4.420 4.320 0.001 0.000 0.239 566 A C 0.162 177.913 177.584 0.279 0.000 1.068 566 A CA 0.106 52.215 52.037 0.119 0.000 0.766 566 A CB -0.729 18.355 19.000 0.140 0.000 1.003 566 A HN 0.630 nan 8.150 nan 0.000 0.497 567 H N 0.336 119.431 119.070 0.041 0.000 2.479 567 H HA 0.554 5.111 4.556 0.001 0.000 0.335 567 H C -0.734 174.506 175.328 -0.147 0.000 1.142 567 H CA -0.735 55.202 56.048 -0.186 0.000 1.234 567 H CB 1.501 31.189 29.762 -0.123 0.000 1.503 567 H HN 0.545 nan 8.280 nan 0.000 0.510 568 I N 3.034 123.473 120.570 -0.218 0.000 2.404 568 I HA 0.165 4.336 4.170 0.001 0.000 0.293 568 I C -1.092 174.956 176.117 -0.115 0.000 0.992 568 I CA -0.696 60.496 61.300 -0.180 0.000 1.149 568 I CB 1.785 39.577 38.000 -0.346 0.000 1.315 568 I HN 0.215 nan 8.210 nan 0.000 0.446 569 L N 6.957 128.185 121.223 0.008 0.000 2.406 569 L HA 0.887 5.228 4.340 0.001 0.000 0.272 569 L C -0.947 175.870 176.870 -0.088 0.000 0.980 569 L CA -0.066 54.794 54.840 0.033 0.000 0.831 569 L CB 1.522 43.701 42.059 0.199 0.000 1.253 569 L HN 0.686 nan 8.230 nan 0.000 0.406 570 A N 4.372 127.041 122.820 -0.252 0.000 2.449 570 A HA 0.888 5.209 4.320 0.001 0.000 0.302 570 A C -1.842 175.268 177.584 -0.790 0.000 1.048 570 A CA -0.385 51.259 52.037 -0.656 0.000 0.708 570 A CB 1.239 19.777 19.000 -0.771 0.000 1.274 570 A HN 0.918 nan 8.150 nan 0.000 0.410 571 Y N -1.570 118.080 120.300 -1.084 0.000 2.624 571 Y HA 0.681 5.232 4.550 0.001 0.000 0.334 571 Y C -1.278 174.361 175.900 -0.435 0.000 1.155 571 Y CA -1.516 56.232 58.100 -0.585 0.000 1.046 571 Y CB 0.697 39.092 38.460 -0.108 0.000 1.316 571 Y HN 0.582 nan 8.280 nan 0.000 0.457 572 Y N 1.443 121.901 120.300 0.264 0.000 2.309 572 Y HA 0.492 5.043 4.550 0.001 0.000 0.327 572 Y C 0.565 176.691 175.900 0.376 0.000 1.172 572 Y CA 0.351 58.670 58.100 0.365 0.000 1.280 572 Y CB 1.596 40.321 38.460 0.443 0.000 1.234 572 Y HN 0.719 nan 8.280 nan 0.000 0.512 573 S N 3.626 119.643 115.700 0.527 0.000 2.566 573 S HA 0.318 4.789 4.470 0.001 0.000 0.273 573 S C -0.317 174.541 174.600 0.430 0.000 1.157 573 S CA -0.770 57.703 58.200 0.455 0.000 0.938 573 S CB 0.630 64.113 63.200 0.470 0.000 1.087 573 S HN 0.757 nan 8.310 nan 0.000 0.474 574 L N 3.418 124.841 121.223 0.333 0.000 2.627 574 L HA 0.265 4.606 4.340 0.001 0.000 0.233 574 L C 1.963 179.012 176.870 0.299 0.000 1.144 574 L CA 0.720 55.743 54.840 0.306 0.000 0.892 574 L CB -0.366 41.789 42.059 0.161 0.000 1.039 574 L HN 0.785 nan 8.230 nan 0.000 0.442 575 A N -0.624 122.365 122.820 0.282 0.000 2.167 575 A HA 0.552 4.873 4.320 0.001 0.000 0.208 575 A C 1.194 178.882 177.584 0.174 0.000 1.198 575 A CA 0.553 52.719 52.037 0.215 0.000 0.863 575 A CB 0.250 19.390 19.000 0.232 0.000 0.904 575 A HN 0.395 nan 8.150 nan 0.000 0.484 576 G N -0.730 108.178 108.800 0.180 0.000 2.660 576 G HA2 -0.102 3.859 3.960 0.001 0.000 0.247 576 G HA3 -0.102 3.859 3.960 0.001 0.000 0.247 576 G C -0.632 174.321 174.900 0.089 0.000 1.328 576 G CA -0.395 44.765 45.100 0.101 0.000 0.884 576 G HN 0.530 nan 8.290 nan 0.000 0.531 577 Q N 0.397 120.216 119.800 0.032 0.000 2.332 577 Q HA 0.441 4.782 4.340 0.001 0.000 0.263 577 Q C 0.878 176.891 176.000 0.021 0.000 0.979 577 Q CA -0.093 55.714 55.803 0.006 0.000 0.885 577 Q CB 0.518 29.238 28.738 -0.029 0.000 1.218 577 Q HN 0.565 nan 8.270 nan 0.000 0.405 578 R N 1.329 121.826 120.500 -0.005 0.000 2.623 578 R HA 0.042 4.383 4.340 0.001 0.000 0.271 578 R C 0.787 177.062 176.300 -0.041 0.000 1.043 578 R CA 0.044 56.128 56.100 -0.026 0.000 1.083 578 R CB 0.001 30.134 30.300 -0.278 0.000 0.974 578 R HN 0.567 nan 8.270 nan 0.000 0.436 579 T N 0.800 115.354 114.554 0.001 0.000 2.904 579 T HA -0.119 4.231 4.350 0.001 0.000 0.267 579 T C 0.742 175.421 174.700 -0.036 0.000 1.059 579 T CA 1.606 63.697 62.100 -0.015 0.000 1.137 579 T CB -0.210 68.657 68.868 -0.002 0.000 0.879 579 T HN 0.782 nan 8.240 nan 0.000 0.467 580 D N 0.408 120.791 120.400 -0.028 0.000 2.413 580 D HA 0.086 4.727 4.640 0.001 0.000 0.237 580 D C -0.142 176.129 176.300 -0.049 0.000 1.171 580 D CA -0.461 53.528 54.000 -0.017 0.000 0.839 580 D CB -1.482 39.370 40.800 0.088 0.000 0.950 580 D HN 0.207 nan 8.370 nan 0.000 0.499 581 C N 1.792 121.026 119.300 -0.110 0.000 2.642 581 C HA 0.200 4.660 4.460 0.001 0.000 0.420 581 C C -1.371 173.592 174.990 -0.044 0.000 1.349 581 C CA -0.857 58.085 59.018 -0.127 0.000 1.821 581 C CB -0.153 27.521 27.740 -0.109 0.000 2.637 581 C HN 0.389 nan 8.230 nan 0.000 0.605 582 P HA 0.176 nan 4.420 nan 0.000 0.282 582 P C 0.868 178.181 177.300 0.021 0.000 1.286 582 P CA -0.034 63.083 63.100 0.028 0.000 0.777 582 P CB 0.285 32.023 31.700 0.063 0.000 1.184 583 T N -1.094 113.479 114.554 0.032 0.000 2.896 583 T HA -0.081 4.269 4.350 0.001 0.000 0.263 583 T C 1.520 176.241 174.700 0.036 0.000 1.050 583 T CA 1.853 63.969 62.100 0.027 0.000 1.140 583 T CB -1.075 67.808 68.868 0.025 0.000 0.877 583 T HN 0.625 nan 8.240 nan 0.000 0.457 584 T N 0.221 114.805 114.554 0.051 0.000 2.996 584 T HA 0.009 4.360 4.350 0.001 0.000 0.271 584 T C 0.654 175.397 174.700 0.072 0.000 1.126 584 T CA 0.312 62.448 62.100 0.061 0.000 1.103 584 T CB -0.405 68.508 68.868 0.075 0.000 0.870 584 T HN 0.115 nan 8.240 nan 0.000 0.528 585 V N 1.345 121.302 119.914 0.072 0.000 2.409 585 V HA 0.487 4.607 4.120 0.001 0.000 0.291 585 V C -0.005 176.119 176.094 0.050 0.000 1.020 585 V CA -1.132 61.221 62.300 0.090 0.000 0.848 585 V CB 1.683 33.581 31.823 0.125 0.000 0.990 585 V HN 0.240 nan 8.190 nan 0.000 0.430 586 R N 2.875 123.407 120.500 0.053 0.000 2.460 586 R HA 0.727 5.068 4.340 0.001 0.000 0.303 586 R C -1.308 175.004 176.300 0.021 0.000 0.968 586 R CA -0.531 55.587 56.100 0.030 0.000 0.889 586 R CB 2.023 32.341 30.300 0.031 0.000 1.123 586 R HN 0.557 nan 8.270 nan 0.000 0.455 587 V N 5.911 125.825 119.914 0.000 0.000 2.328 587 V HA 0.260 4.381 4.120 0.001 0.000 0.278 587 V C 0.344 176.428 176.094 -0.017 0.000 1.021 587 V CA -0.725 61.564 62.300 -0.018 0.000 0.838 587 V CB 1.256 33.059 31.823 -0.034 0.000 0.999 587 V HN 0.661 nan 8.190 nan 0.000 0.447 588 L N 5.479 126.690 121.223 -0.020 0.000 2.410 588 L HA 0.328 4.669 4.340 0.001 0.000 0.273 588 L C 0.612 177.474 176.870 -0.014 0.000 1.152 588 L CA 0.316 55.150 54.840 -0.010 0.000 0.855 588 L CB 0.461 42.519 42.059 -0.002 0.000 1.129 588 L HN 0.619 nan 8.230 nan 0.000 0.463 589 K N 4.437 124.834 120.400 -0.004 0.000 2.895 589 K HA 0.177 4.498 4.320 0.001 0.000 0.191 589 K C -0.685 175.917 176.600 0.002 0.000 1.117 589 K CA -0.447 55.837 56.287 -0.005 0.000 0.988 589 K CB 0.854 33.349 32.500 -0.010 0.000 1.181 589 K HN 0.569 nan 8.250 nan 0.000 0.598 590 E N -0.359 119.846 120.200 0.009 0.000 3.931 590 E HA -0.209 4.142 4.350 0.001 0.000 0.221 590 E C -2.543 174.062 176.600 0.009 0.000 1.488 590 E CA 0.566 56.972 56.400 0.010 0.000 2.372 590 E CB -1.526 28.179 29.700 0.007 0.000 2.116 590 E HN 0.322 nan 8.360 nan 0.000 0.464 591 P HA 0.065 nan 4.420 nan 0.000 0.263 591 P C 0.093 177.396 177.300 0.005 0.000 1.195 591 P CA 0.260 63.365 63.100 0.007 0.000 0.762 591 P CB 0.138 31.841 31.700 0.006 0.000 0.799 592 I N 0.000 120.574 120.570 0.006 0.000 2.984 592 I HA 0.000 4.171 4.170 0.001 0.000 0.288 592 I CA 0.000 61.303 61.300 0.005 0.000 1.566 592 I CB 0.000 38.004 38.000 0.006 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494